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 2r0v_1_C DATA FIRST_RESID 23 DATA SEQUENCE PGXHPKNQEK TPHVDYNAPL NPKSELFLDD WHIPKFNRFI SFTLDVLIDK DATA SEQUENCE YKDIFKDFIK LPSRKFHPQY YYKIQQPMSI NEIKSRDYEY EDGPSNFLLD DATA SEQUENCE VELLTKNCQA YNEYDSLIVK NSMQVVMLIE FEVLKAKNLK RNYLINSEVK DATA SEQUENCE AKLLHYLNKL VDATEKKINQ ALLGASSPKN LDDKVKLSEP FMELVDKDEL DATA SEQUENCE PEYYEIVHSP MALSIVKQNL EIGQYSKIYD FIIDMLLVFQ NAHIFNDPSA DATA SEQUENCE LIYKDATTLT NYFNYLIQKE FFPELQDLNE RGEINLEFDK F 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 23 P HA 0.000 nan 4.420 nan 0.000 0.216 23 P C 0.000 177.363 177.300 0.105 0.000 1.155 23 P CA 0.000 63.202 63.100 0.170 0.000 0.800 23 P CB 0.000 31.766 31.700 0.111 0.000 0.726 27 P HA -0.003 nan 4.420 nan 0.000 0.266 27 P C 0.163 177.347 177.300 -0.194 0.000 1.195 27 P CA 0.033 62.930 63.100 -0.339 0.000 0.768 27 P CB 0.900 32.454 31.700 -0.244 0.000 0.838 28 K N 2.029 122.274 120.400 -0.259 0.000 2.286 28 K HA 0.054 4.377 4.320 0.005 0.000 0.256 28 K C 0.837 177.385 176.600 -0.088 0.000 0.999 28 K CA 0.084 56.294 56.287 -0.128 0.000 0.908 28 K CB 0.063 32.492 32.500 -0.117 0.000 0.981 28 K HN 0.454 nan 8.250 nan 0.000 0.500 29 N N 2.644 121.314 118.700 -0.049 0.000 2.715 29 N HA -0.065 4.678 4.740 0.005 0.000 0.254 29 N C -0.535 174.958 175.510 -0.029 0.000 1.306 29 N CA 0.271 53.303 53.050 -0.030 0.000 0.956 29 N CB 0.185 38.659 38.487 -0.020 0.000 1.296 29 N HN 0.324 nan 8.380 nan 0.000 0.512 30 Q N -0.331 119.446 119.800 -0.039 0.000 2.421 30 Q HA 0.220 4.563 4.340 0.005 0.000 0.280 30 Q C 0.013 176.002 176.000 -0.018 0.000 1.085 30 Q CA -0.545 55.240 55.803 -0.029 0.000 0.807 30 Q CB 2.143 30.860 28.738 -0.034 0.000 1.405 30 Q HN 0.187 nan 8.270 nan 0.000 0.419 31 E N 0.609 120.805 120.200 -0.007 0.000 2.251 31 E HA 0.023 4.376 4.350 0.005 0.000 0.194 31 E C -0.534 176.072 176.600 0.011 0.000 0.964 31 E CA 0.666 57.067 56.400 0.003 0.000 0.868 31 E CB 0.584 30.284 29.700 -0.001 0.000 0.828 31 E HN 0.214 nan 8.360 nan 0.000 0.481 32 K N 1.698 122.102 120.400 0.007 0.000 2.449 32 K HA 0.187 4.510 4.320 0.005 0.000 0.257 32 K C -0.581 176.027 176.600 0.012 0.000 0.989 32 K CA -0.334 55.962 56.287 0.016 0.000 0.916 32 K CB 1.710 34.217 32.500 0.013 0.000 1.136 32 K HN -0.024 nan 8.250 nan 0.000 0.439 33 T N -0.280 114.286 114.554 0.019 0.000 2.918 33 T HA 0.439 4.792 4.350 0.005 0.000 0.283 33 T C -1.834 172.883 174.700 0.029 0.000 1.001 33 T CA -1.757 60.351 62.100 0.013 0.000 1.041 33 T CB 0.572 69.445 68.868 0.009 0.000 1.028 33 T HN 0.256 nan 8.240 nan 0.000 0.511 34 P HA 0.077 nan 4.420 nan 0.000 0.269 34 P C -0.137 177.201 177.300 0.064 0.000 1.209 34 P CA -0.318 62.805 63.100 0.039 0.000 0.776 34 P CB 0.249 31.955 31.700 0.010 0.000 0.876 35 H N 1.451 120.523 119.070 0.003 0.000 2.815 35 H HA 0.157 4.716 4.556 0.005 0.000 0.350 35 H C -1.078 174.257 175.328 0.013 0.000 1.080 35 H CA -0.277 55.776 56.048 0.008 0.000 1.433 35 H CB 0.709 30.477 29.762 0.009 0.000 1.432 35 H HN 0.058 nan 8.280 nan 0.000 0.592 36 V N 5.514 125.186 119.914 -0.403 0.000 2.370 36 V HA -0.009 4.114 4.120 0.005 0.000 0.279 36 V C 0.205 175.978 176.094 -0.536 0.000 1.029 36 V CA -0.629 61.435 62.300 -0.393 0.000 0.870 36 V CB 1.238 32.995 31.823 -0.110 0.000 0.984 36 V HN 0.766 nan 8.190 nan 0.000 0.451 37 D N 3.379 123.500 120.400 -0.465 0.000 2.393 37 D HA 0.068 4.711 4.640 0.005 0.000 0.232 37 D C 0.618 176.904 176.300 -0.024 0.000 1.192 37 D CA -0.214 53.680 54.000 -0.176 0.000 0.882 37 D CB 0.686 41.417 40.800 -0.114 0.000 1.038 37 D HN 0.554 nan 8.370 nan 0.000 0.499 38 Y N 4.978 125.265 120.300 -0.022 0.000 2.165 38 Y HA -0.209 4.345 4.550 0.005 0.000 0.286 38 Y C 1.466 177.373 175.900 0.011 0.000 1.155 38 Y CA 1.725 59.830 58.100 0.008 0.000 1.164 38 Y CB 0.066 38.552 38.460 0.044 0.000 0.978 38 Y HN 0.416 nan 8.280 nan 0.000 0.513 39 N N 0.438 119.097 118.700 -0.069 0.000 2.409 39 N HA 0.038 4.781 4.740 0.005 0.000 0.179 39 N C 0.297 175.691 175.510 -0.194 0.000 1.032 39 N CA 0.846 53.815 53.050 -0.135 0.000 0.898 39 N CB -0.296 38.215 38.487 0.040 0.000 0.971 39 N HN 0.268 nan 8.380 nan 0.000 0.441 40 A N 3.000 125.718 122.820 -0.169 0.000 2.395 40 A HA 0.351 4.674 4.320 0.005 0.000 0.286 40 A C -2.187 175.226 177.584 -0.285 0.000 1.193 40 A CA -1.137 50.784 52.037 -0.193 0.000 0.852 40 A CB 0.003 18.930 19.000 -0.122 0.000 1.118 40 A HN -0.027 nan 8.150 nan 0.000 0.524 41 P HA 0.058 nan 4.420 nan 0.000 0.267 41 P C 0.982 178.106 177.300 -0.294 0.000 1.200 41 P CA -0.220 62.521 63.100 -0.597 0.000 0.772 41 P CB 0.531 31.492 31.700 -1.233 0.000 0.855 42 L N 0.689 121.810 121.223 -0.170 0.000 2.083 42 L HA -0.141 4.202 4.340 0.005 0.000 0.209 42 L C 1.060 177.896 176.870 -0.056 0.000 1.083 42 L CA 1.606 56.399 54.840 -0.079 0.000 0.752 42 L CB -0.434 41.609 42.059 -0.026 0.000 0.899 42 L HN 0.485 nan 8.230 nan 0.000 0.433 43 N N -0.625 118.049 118.700 -0.044 0.000 2.664 43 N HA 0.168 4.911 4.740 0.005 0.000 0.257 43 N C -1.995 173.498 175.510 -0.030 0.000 1.108 43 N CA -1.888 51.161 53.050 -0.002 0.000 0.822 43 N CB 1.219 39.749 38.487 0.072 0.000 1.199 43 N HN -0.219 nan 8.380 nan 0.000 0.529 44 P HA -0.088 nan 4.420 nan 0.000 0.226 44 P C 0.353 177.656 177.300 0.006 0.000 1.153 44 P CA 0.964 63.984 63.100 -0.134 0.000 0.777 44 P CB 0.164 31.788 31.700 -0.126 0.000 0.794 45 K N -0.853 119.575 120.400 0.047 0.000 2.404 45 K HA 0.155 4.478 4.320 0.005 0.000 0.194 45 K C 0.823 177.496 176.600 0.121 0.000 1.023 45 K CA -0.287 56.048 56.287 0.080 0.000 1.094 45 K CB -0.115 32.422 32.500 0.062 0.000 0.841 45 K HN -0.182 nan 8.250 nan 0.000 0.523 46 S N 2.144 117.948 115.700 0.173 0.000 2.549 46 S HA -0.050 4.423 4.470 0.005 0.000 0.286 46 S C 1.145 175.863 174.600 0.196 0.000 1.314 46 S CA -0.302 58.019 58.200 0.201 0.000 1.062 46 S CB 0.732 64.102 63.200 0.283 0.000 0.865 46 S HN 0.566 nan 8.310 nan 0.000 0.498 47 E N 4.814 125.085 120.200 0.117 0.000 2.273 47 E HA -0.194 4.159 4.350 0.005 0.000 0.198 47 E C 1.511 178.148 176.600 0.062 0.000 1.002 47 E CA 1.239 57.681 56.400 0.072 0.000 0.828 47 E CB -0.433 29.273 29.700 0.010 0.000 0.747 47 E HN 0.790 nan 8.360 nan 0.000 0.491 48 L N -0.582 120.662 121.223 0.034 0.000 2.191 48 L HA -0.100 4.243 4.340 0.005 0.000 0.212 48 L C 1.756 178.665 176.870 0.066 0.000 1.103 48 L CA 1.067 55.901 54.840 -0.010 0.000 0.769 48 L CB -0.284 41.696 42.059 -0.133 0.000 0.908 48 L HN 0.139 nan 8.230 nan 0.000 0.438 49 F N -1.413 118.654 119.950 0.196 0.000 2.717 49 F HA 0.104 4.634 4.527 0.005 0.000 0.295 49 F C 1.944 177.801 175.800 0.095 0.000 1.117 49 F CA 0.269 58.348 58.000 0.132 0.000 1.361 49 F CB 0.147 39.191 39.000 0.074 0.000 1.112 49 F HN -0.129 nan 8.300 nan 0.000 0.594 50 L N -1.147 120.224 121.223 0.247 0.000 2.286 50 L HA 0.098 4.441 4.340 0.005 0.000 0.203 50 L C 0.112 177.056 176.870 0.123 0.000 1.068 50 L CA 0.303 55.238 54.840 0.159 0.000 0.811 50 L CB -0.174 41.962 42.059 0.127 0.000 0.989 50 L HN -0.173 nan 8.230 nan 0.000 0.467 51 D N 0.652 121.141 120.400 0.148 0.000 2.304 51 D HA 0.085 4.728 4.640 0.005 0.000 0.247 51 D C -0.471 175.925 176.300 0.160 0.000 1.089 51 D CA -0.038 54.045 54.000 0.139 0.000 0.910 51 D CB 1.119 41.989 40.800 0.117 0.000 1.199 51 D HN -0.100 nan 8.370 nan 0.000 0.426 52 D N 2.379 122.823 120.400 0.073 0.000 2.411 52 D HA 0.140 4.783 4.640 0.005 0.000 0.225 52 D C -0.812 175.481 176.300 -0.011 0.000 1.156 52 D CA -0.686 53.295 54.000 -0.032 0.000 0.874 52 D CB 0.160 40.964 40.800 0.006 0.000 1.034 52 D HN 0.311 nan 8.370 nan 0.000 0.502 53 W N 3.061 124.158 121.300 -0.339 0.000 2.950 53 W HA 0.578 5.240 4.660 0.004 0.000 0.340 53 W C -1.539 174.556 176.519 -0.707 0.000 1.139 53 W CA -0.926 56.205 57.345 -0.356 0.000 1.188 53 W CB 0.462 29.729 29.460 -0.322 0.000 1.426 53 W HN 0.250 nan 8.180 nan 0.000 0.531 54 H N 1.563 120.558 119.070 -0.125 0.000 2.865 54 H HA 0.465 5.024 4.556 0.005 0.000 0.362 54 H C -0.630 174.592 175.328 -0.177 0.000 1.114 54 H CA -0.736 55.106 56.048 -0.343 0.000 1.208 54 H CB 2.669 32.232 29.762 -0.331 0.000 1.727 54 H HN 0.302 nan 8.280 nan 0.000 0.534 55 I N 4.156 124.597 120.570 -0.215 0.000 2.325 55 I HA 0.246 4.419 4.170 0.005 0.000 0.291 55 I C -2.099 173.984 176.117 -0.056 0.000 1.019 55 I CA -1.898 59.301 61.300 -0.170 0.000 1.302 55 I CB 1.063 38.870 38.000 -0.322 0.000 1.401 55 I HN 0.349 nan 8.210 nan 0.000 0.485 56 P HA 0.049 nan 4.420 nan 0.000 0.268 56 P C -0.749 176.598 177.300 0.077 0.000 1.205 56 P CA -0.342 62.770 63.100 0.020 0.000 0.771 56 P CB 0.283 31.983 31.700 0.000 0.000 0.858 57 K N 1.077 121.538 120.400 0.101 0.000 3.451 57 K HA -0.231 4.092 4.320 0.005 0.000 0.273 57 K C 0.429 177.177 176.600 0.247 0.000 0.944 57 K CA -0.192 56.181 56.287 0.142 0.000 0.734 57 K CB -1.510 31.051 32.500 0.101 0.000 1.437 57 K HN 0.346 nan 8.250 nan 0.000 0.454 58 F N 1.463 121.453 119.950 0.067 0.000 2.126 58 F HA -0.214 4.317 4.527 0.006 0.000 0.299 58 F C 1.789 177.665 175.800 0.128 0.000 1.096 58 F CA 1.831 59.879 58.000 0.080 0.000 1.255 58 F CB -0.093 38.919 39.000 0.021 0.000 0.997 58 F HN 0.299 nan 8.300 nan 0.000 0.479 59 N N 0.434 119.212 118.700 0.130 0.000 2.120 59 N HA -0.157 4.586 4.740 0.005 0.000 0.188 59 N C 2.015 177.552 175.510 0.046 0.000 1.024 59 N CA 1.208 54.280 53.050 0.038 0.000 0.852 59 N CB -0.473 38.074 38.487 0.099 0.000 1.003 59 N HN 0.350 nan 8.380 nan 0.000 0.424 60 R N 0.004 120.567 120.500 0.104 0.000 2.081 60 R HA -0.074 4.269 4.340 0.005 0.000 0.235 60 R C 2.081 178.470 176.300 0.148 0.000 1.131 60 R CA 0.754 56.920 56.100 0.109 0.000 0.960 60 R CB -0.708 29.650 30.300 0.097 0.000 0.856 60 R HN 0.269 nan 8.270 nan 0.000 0.436 61 F N 1.698 121.678 119.950 0.051 0.000 2.161 61 F HA -0.165 4.365 4.527 0.005 0.000 0.300 61 F C 2.008 177.831 175.800 0.037 0.000 1.089 61 F CA 1.278 59.333 58.000 0.091 0.000 1.282 61 F CB -0.149 38.944 39.000 0.155 0.000 1.010 61 F HN -0.133 nan 8.300 nan 0.000 0.485 62 I N -0.748 119.711 120.570 -0.185 0.000 2.163 62 I HA -0.284 3.889 4.170 0.005 0.000 0.240 62 I C 2.574 178.586 176.117 -0.176 0.000 1.081 62 I CA 1.453 62.527 61.300 -0.377 0.000 1.353 62 I CB -0.721 36.939 38.000 -0.567 0.000 1.054 62 I HN 0.028 nan 8.210 nan 0.000 0.407 63 S N 0.448 116.114 115.700 -0.057 0.000 2.368 63 S HA -0.208 4.265 4.470 0.005 0.000 0.225 63 S C 1.873 176.465 174.600 -0.012 0.000 1.030 63 S CA 1.503 59.701 58.200 -0.002 0.000 0.999 63 S CB -0.417 62.809 63.200 0.042 0.000 0.844 63 S HN 0.420 nan 8.310 nan 0.000 0.459 64 F N 2.354 122.225 119.950 -0.132 0.000 2.102 64 F HA -0.138 4.392 4.527 0.005 0.000 0.298 64 F C 2.424 178.108 175.800 -0.193 0.000 1.105 64 F CA 1.719 59.640 58.000 -0.132 0.000 1.239 64 F CB -0.962 37.975 39.000 -0.104 0.000 0.991 64 F HN 0.089 nan 8.300 nan 0.000 0.474 65 T N 1.712 116.075 114.554 -0.318 0.000 2.708 65 T HA -0.146 4.207 4.350 0.005 0.000 0.266 65 T C 2.137 176.642 174.700 -0.326 0.000 1.037 65 T CA 1.816 63.655 62.100 -0.436 0.000 1.146 65 T CB -0.524 67.965 68.868 -0.632 0.000 0.865 65 T HN 0.234 nan 8.240 nan 0.000 0.435 66 L N 0.829 121.926 121.223 -0.209 0.000 2.056 66 L HA -0.099 4.244 4.340 0.005 0.000 0.207 66 L C 2.487 179.232 176.870 -0.208 0.000 1.078 66 L CA 1.116 55.885 54.840 -0.119 0.000 0.749 66 L CB -0.633 41.436 42.059 0.016 0.000 0.901 66 L HN 0.144 nan 8.230 nan 0.000 0.433 67 D N -0.127 120.143 120.400 -0.217 0.000 2.123 67 D HA -0.157 4.486 4.640 0.005 0.000 0.196 67 D C 2.336 178.443 176.300 -0.322 0.000 0.992 67 D CA 1.097 54.959 54.000 -0.230 0.000 0.833 67 D CB -0.249 40.442 40.800 -0.182 0.000 0.954 67 D HN 0.076 nan 8.370 nan 0.000 0.455 68 V N 0.822 120.461 119.914 -0.458 0.000 2.358 68 V HA -0.194 3.929 4.120 0.005 0.000 0.246 68 V C 2.588 178.470 176.094 -0.353 0.000 1.047 68 V CA 1.073 63.105 62.300 -0.446 0.000 1.035 68 V CB -0.400 31.064 31.823 -0.599 0.000 0.658 68 V HN 0.197 nan 8.190 nan 0.000 0.452 69 L N -0.750 120.251 121.223 -0.370 0.000 2.017 69 L HA -0.180 4.163 4.340 0.005 0.000 0.208 69 L C 2.380 178.801 176.870 -0.749 0.000 1.073 69 L CA 1.702 56.271 54.840 -0.452 0.000 0.745 69 L CB -0.537 41.206 42.059 -0.527 0.000 0.894 69 L HN 0.239 nan 8.230 nan 0.000 0.432 70 I N -0.079 120.055 120.570 -0.726 0.000 2.194 70 I HA -0.350 3.823 4.170 0.005 0.000 0.246 70 I C 2.124 178.086 176.117 -0.258 0.000 1.093 70 I CA 1.400 62.420 61.300 -0.467 0.000 1.355 70 I CB -0.346 37.537 38.000 -0.196 0.000 1.046 70 I HN 0.317 nan 8.210 nan 0.000 0.413 71 D N 0.280 120.530 120.400 -0.250 0.000 2.183 71 D HA -0.153 4.490 4.640 0.005 0.000 0.203 71 D C 2.121 178.288 176.300 -0.222 0.000 0.969 71 D CA 1.103 54.989 54.000 -0.191 0.000 0.842 71 D CB 0.039 40.730 40.800 -0.182 0.000 0.957 71 D HN 0.267 nan 8.370 nan 0.000 0.484 72 K N -0.699 119.506 120.400 -0.325 0.000 2.186 72 K HA -0.052 4.271 4.320 0.005 0.000 0.202 72 K C 0.208 176.430 176.600 -0.631 0.000 1.052 72 K CA 0.632 56.610 56.287 -0.515 0.000 0.965 72 K CB 0.296 32.397 32.500 -0.666 0.000 0.746 72 K HN 0.083 nan 8.250 nan 0.000 0.457 73 Y N 0.135 120.354 120.300 -0.134 0.000 2.578 73 Y HA 0.265 4.818 4.550 0.005 0.000 0.317 73 Y C 0.734 176.668 175.900 0.057 0.000 0.940 73 Y CA -0.809 57.286 58.100 -0.008 0.000 1.174 73 Y CB 0.685 39.221 38.460 0.125 0.000 1.198 73 Y HN -0.189 nan 8.280 nan 0.000 0.597 74 K N 1.152 121.597 120.400 0.075 0.000 2.077 74 K HA -0.254 4.069 4.320 0.005 0.000 0.213 74 K C 1.423 178.100 176.600 0.129 0.000 1.051 74 K CA 2.380 58.716 56.287 0.083 0.000 0.929 74 K CB -0.291 32.218 32.500 0.016 0.000 0.715 74 K HN 0.682 nan 8.250 nan 0.000 0.451 75 D N 0.737 121.188 120.400 0.086 0.000 2.144 75 D HA -0.181 4.462 4.640 0.005 0.000 0.199 75 D C 1.956 178.285 176.300 0.048 0.000 0.984 75 D CA 1.432 55.455 54.000 0.039 0.000 0.834 75 D CB -0.612 40.178 40.800 -0.017 0.000 0.955 75 D HN 0.511 nan 8.370 nan 0.000 0.465 76 I N -3.803 116.823 120.570 0.094 0.000 3.035 76 I HA 0.101 4.274 4.170 0.005 0.000 0.271 76 I C 1.508 177.773 176.117 0.247 0.000 1.190 76 I CA 0.160 61.521 61.300 0.101 0.000 1.472 76 I CB -0.517 37.450 38.000 -0.055 0.000 1.116 76 I HN -0.295 nan 8.210 nan 0.000 0.443 77 F N 2.954 123.000 119.950 0.160 0.000 2.615 77 F HA 0.046 4.576 4.527 0.005 0.000 0.297 77 F C 2.507 178.434 175.800 0.212 0.000 1.124 77 F CA 1.165 59.304 58.000 0.231 0.000 1.451 77 F CB -0.215 38.865 39.000 0.133 0.000 1.103 77 F HN 0.125 nan 8.300 nan 0.000 0.569 78 K N -0.342 120.197 120.400 0.232 0.000 2.103 78 K HA -0.181 4.142 4.320 0.005 0.000 0.207 78 K C 1.028 177.586 176.600 -0.071 0.000 1.048 78 K CA 2.024 58.359 56.287 0.080 0.000 0.930 78 K CB -0.486 32.036 32.500 0.037 0.000 0.716 78 K HN 0.038 nan 8.250 nan 0.000 0.444 79 D N -0.049 120.171 120.400 -0.301 0.000 2.371 79 D HA -0.036 4.607 4.640 0.005 0.000 0.221 79 D C 0.549 176.372 176.300 -0.796 0.000 0.986 79 D CA 0.736 54.353 54.000 -0.638 0.000 0.899 79 D CB 0.020 40.266 40.800 -0.924 0.000 0.902 79 D HN 0.339 nan 8.370 nan 0.000 0.530 80 F N -0.763 119.167 119.950 -0.035 0.000 2.682 80 F HA 0.339 4.869 4.527 0.005 0.000 0.308 80 F C 1.819 177.624 175.800 0.009 0.000 1.093 80 F CA -0.327 57.646 58.000 -0.045 0.000 1.244 80 F CB 0.030 38.965 39.000 -0.108 0.000 1.052 80 F HN -0.117 nan 8.300 nan 0.000 0.573 81 I N -0.279 120.368 120.570 0.127 0.000 2.277 81 I HA -0.099 4.074 4.170 0.005 0.000 0.243 81 I C 1.016 177.178 176.117 0.076 0.000 1.094 81 I CA 1.226 62.602 61.300 0.126 0.000 1.393 81 I CB -0.070 37.994 38.000 0.107 0.000 1.078 81 I HN -0.103 nan 8.210 nan 0.000 0.417 82 K N 0.912 121.329 120.400 0.028 0.000 2.166 82 K HA 0.515 4.838 4.320 0.005 0.000 0.245 82 K C -0.637 175.956 176.600 -0.013 0.000 0.967 82 K CA -0.831 55.465 56.287 0.015 0.000 0.863 82 K CB 1.979 34.482 32.500 0.004 0.000 1.107 82 K HN -0.009 nan 8.250 nan 0.000 0.436 83 L N 2.785 124.013 121.223 0.009 0.000 2.483 83 L HA 0.113 4.456 4.340 0.005 0.000 0.276 83 L C -1.916 174.910 176.870 -0.073 0.000 1.213 83 L CA -1.707 53.130 54.840 -0.005 0.000 0.843 83 L CB -0.142 41.986 42.059 0.115 0.000 1.107 83 L HN 0.339 nan 8.230 nan 0.000 0.487 84 P HA -0.051 nan 4.420 nan 0.000 0.265 84 P C -0.418 176.871 177.300 -0.020 0.000 1.187 84 P CA -0.102 62.793 63.100 -0.342 0.000 0.766 84 P CB 0.514 31.609 31.700 -1.008 0.000 0.820 85 S N 2.508 118.252 115.700 0.074 0.000 2.546 85 S HA -0.019 4.454 4.470 0.005 0.000 0.290 85 S C 1.274 175.980 174.600 0.176 0.000 1.262 85 S CA -0.172 58.100 58.200 0.121 0.000 1.083 85 S CB -0.012 63.295 63.200 0.180 0.000 0.859 85 S HN 0.279 nan 8.310 nan 0.000 0.495 86 R N 3.710 124.274 120.500 0.106 0.000 2.115 86 R HA -0.054 4.289 4.340 0.005 0.000 0.226 86 R C 2.174 178.473 176.300 -0.002 0.000 1.100 86 R CA 1.337 57.490 56.100 0.087 0.000 0.980 86 R CB -0.326 29.876 30.300 -0.163 0.000 0.875 86 R HN 0.640 nan 8.270 nan 0.000 0.445 87 K N 1.310 121.618 120.400 -0.154 0.000 2.009 87 K HA -0.121 4.202 4.320 0.005 0.000 0.210 87 K C 1.458 177.874 176.600 -0.307 0.000 1.049 87 K CA 1.732 57.818 56.287 -0.335 0.000 0.929 87 K CB -0.224 31.890 32.500 -0.643 0.000 0.714 87 K HN 0.173 nan 8.250 nan 0.000 0.440 88 F N -1.461 118.447 119.950 -0.071 0.000 2.619 88 F HA 0.132 4.662 4.527 0.005 0.000 0.293 88 F C 0.365 175.884 175.800 -0.468 0.000 1.119 88 F CA -0.032 57.818 58.000 -0.251 0.000 1.445 88 F CB 0.280 39.100 39.000 -0.300 0.000 1.119 88 F HN 0.056 nan 8.300 nan 0.000 0.573 89 H N 0.040 119.251 119.070 0.234 0.000 2.448 89 H HA 0.175 4.734 4.556 0.005 0.000 0.237 89 H C -1.944 173.549 175.328 0.275 0.000 1.391 89 H CA -1.778 54.409 56.048 0.231 0.000 1.477 89 H CB 0.387 30.242 29.762 0.155 0.000 1.520 89 H HN -0.131 nan 8.280 nan 0.000 0.502 90 P HA -0.155 nan 4.420 nan 0.000 0.218 90 P C 1.242 178.833 177.300 0.485 0.000 1.152 90 P CA 0.953 64.267 63.100 0.357 0.000 0.826 90 P CB 0.646 32.496 31.700 0.249 0.000 0.790 91 Q N -1.284 118.785 119.800 0.449 0.000 2.364 91 Q HA -0.165 4.178 4.340 0.005 0.000 0.207 91 Q C 2.039 178.303 176.000 0.440 0.000 0.970 91 Q CA 0.844 56.932 55.803 0.475 0.000 0.888 91 Q CB -0.863 28.082 28.738 0.345 0.000 0.951 91 Q HN 0.385 nan 8.270 nan 0.000 0.469 92 Y N 0.147 120.570 120.300 0.206 0.000 2.193 92 Y HA -0.294 4.259 4.550 0.005 0.000 0.285 92 Y C 1.270 177.014 175.900 -0.261 0.000 1.166 92 Y CA 1.649 59.617 58.100 -0.220 0.000 1.181 92 Y CB -0.186 37.889 38.460 -0.641 0.000 0.976 92 Y HN 0.074 nan 8.280 nan 0.000 0.520 93 Y N -2.424 117.948 120.300 0.120 0.000 2.546 93 Y HA -0.061 4.492 4.550 0.005 0.000 0.287 93 Y C 1.130 176.887 175.900 -0.239 0.000 1.158 93 Y CA 0.549 58.609 58.100 -0.067 0.000 1.307 93 Y CB -0.298 38.097 38.460 -0.108 0.000 1.036 93 Y HN 0.187 nan 8.280 nan 0.000 0.532 94 Y N -1.037 119.337 120.300 0.124 0.000 2.503 94 Y HA 0.056 4.609 4.550 0.005 0.000 0.277 94 Y C 1.862 177.775 175.900 0.023 0.000 1.102 94 Y CA 0.434 58.581 58.100 0.078 0.000 1.261 94 Y CB 0.215 38.729 38.460 0.091 0.000 1.096 94 Y HN -0.124 nan 8.280 nan 0.000 0.546 95 K N -0.324 120.145 120.400 0.115 0.000 2.323 95 K HA 0.141 4.464 4.320 0.005 0.000 0.197 95 K C -0.200 176.355 176.600 -0.076 0.000 1.043 95 K CA 0.506 56.819 56.287 0.042 0.000 0.997 95 K CB 0.619 33.179 32.500 0.099 0.000 0.807 95 K HN 0.023 nan 8.250 nan 0.000 0.497 96 I N 2.149 122.579 120.570 -0.235 0.000 2.382 96 I HA 0.099 4.272 4.170 0.005 0.000 0.285 96 I C 0.752 176.786 176.117 -0.139 0.000 1.007 96 I CA -0.123 61.001 61.300 -0.294 0.000 1.142 96 I CB 1.584 39.139 38.000 -0.743 0.000 1.289 96 I HN 0.062 nan 8.210 nan 0.000 0.453 97 Q N 4.072 123.846 119.800 -0.044 0.000 2.124 97 Q HA -0.073 4.270 4.340 0.005 0.000 0.202 97 Q C 0.105 176.109 176.000 0.006 0.000 0.977 97 Q CA 1.369 57.174 55.803 0.004 0.000 0.850 97 Q CB 0.208 28.973 28.738 0.046 0.000 0.901 97 Q HN 0.625 nan 8.270 nan 0.000 0.429 98 Q N 0.585 120.388 119.800 0.005 0.000 2.932 98 Q HA 0.335 4.678 4.340 0.005 0.000 0.248 98 Q C -2.455 173.575 176.000 0.051 0.000 0.982 98 Q CA -1.785 54.032 55.803 0.022 0.000 0.730 98 Q CB 1.560 30.299 28.738 0.002 0.000 1.249 98 Q HN 0.013 nan 8.270 nan 0.000 0.476 99 P HA 0.038 nan 4.420 nan 0.000 0.267 99 P C -0.736 176.639 177.300 0.124 0.000 1.200 99 P CA 0.031 63.214 63.100 0.138 0.000 0.772 99 P CB 0.476 32.302 31.700 0.211 0.000 0.855 100 M N 2.382 122.057 119.600 0.125 0.000 2.371 100 M HA 0.498 4.981 4.480 0.005 0.000 0.287 100 M C -1.152 175.215 176.300 0.112 0.000 1.149 100 M CA -0.210 55.160 55.300 0.116 0.000 0.929 100 M CB 1.821 34.491 32.600 0.116 0.000 1.683 100 M HN 0.413 nan 8.290 nan 0.000 0.470 101 S N 3.126 118.892 115.700 0.110 0.000 2.661 101 S HA 0.654 5.127 4.470 0.005 0.000 0.285 101 S C 0.691 175.365 174.600 0.123 0.000 1.138 101 S CA -0.917 57.351 58.200 0.114 0.000 0.855 101 S CB 0.916 64.170 63.200 0.090 0.000 1.136 101 S HN 0.754 nan 8.310 nan 0.000 0.484 102 I N 1.320 121.974 120.570 0.140 0.000 2.394 102 I HA -0.167 4.006 4.170 0.005 0.000 0.251 102 I C 2.267 178.466 176.117 0.135 0.000 1.136 102 I CA 1.210 62.600 61.300 0.150 0.000 1.425 102 I CB -0.601 37.516 38.000 0.194 0.000 1.079 102 I HN 0.715 nan 8.210 nan 0.000 0.425 103 N N 0.259 119.027 118.700 0.113 0.000 2.188 103 N HA -0.234 4.509 4.740 0.005 0.000 0.184 103 N C 1.813 177.384 175.510 0.102 0.000 1.018 103 N CA 0.859 53.965 53.050 0.094 0.000 0.858 103 N CB -0.010 38.520 38.487 0.071 0.000 0.989 103 N HN 0.239 nan 8.380 nan 0.000 0.426 104 E N 1.699 121.964 120.200 0.108 0.000 2.058 104 E HA -0.124 4.229 4.350 0.005 0.000 0.194 104 E C 1.738 178.433 176.600 0.158 0.000 0.997 104 E CA 1.141 57.609 56.400 0.114 0.000 0.801 104 E CB -0.239 29.528 29.700 0.110 0.000 0.746 104 E HN 0.327 nan 8.360 nan 0.000 0.450 105 I N 0.217 120.907 120.570 0.200 0.000 2.264 105 I HA -0.279 3.894 4.170 0.005 0.000 0.248 105 I C 2.132 178.447 176.117 0.330 0.000 1.111 105 I CA 1.408 62.897 61.300 0.315 0.000 1.382 105 I CB -0.228 37.931 38.000 0.265 0.000 1.060 105 I HN 0.064 nan 8.210 nan 0.000 0.418 106 K N 0.328 120.854 120.400 0.210 0.000 2.432 106 K HA -0.035 4.288 4.320 0.005 0.000 0.196 106 K C 1.636 178.313 176.600 0.128 0.000 1.038 106 K CA 1.079 57.463 56.287 0.162 0.000 0.986 106 K CB -0.000 32.566 32.500 0.110 0.000 0.782 106 K HN 0.311 nan 8.250 nan 0.000 0.485 107 S N 0.271 116.043 115.700 0.120 0.000 2.582 107 S HA 0.192 4.665 4.470 0.005 0.000 0.234 107 S C 0.160 174.790 174.600 0.051 0.000 0.961 107 S CA -0.715 57.529 58.200 0.075 0.000 0.953 107 S CB 0.200 63.436 63.200 0.059 0.000 0.800 107 S HN 0.046 nan 8.310 nan 0.000 0.471 108 R N 0.690 121.230 120.500 0.066 0.000 2.778 108 R HA 0.511 4.854 4.340 0.005 0.000 0.277 108 R C -1.597 174.604 176.300 -0.165 0.000 0.977 108 R CA -0.797 55.248 56.100 -0.092 0.000 0.950 108 R CB 0.917 31.091 30.300 -0.209 0.000 1.165 108 R HN 0.195 nan 8.270 nan 0.000 0.474 109 D N 0.492 120.758 120.400 -0.225 0.000 2.225 109 D HA 0.136 4.779 4.640 0.005 0.000 0.248 109 D C -0.689 175.525 176.300 -0.144 0.000 1.096 109 D CA -0.094 53.856 54.000 -0.083 0.000 0.863 109 D CB 0.677 41.483 40.800 0.008 0.000 1.156 109 D HN 0.451 nan 8.370 nan 0.000 0.450 110 Y N 0.956 121.410 120.300 0.257 0.000 2.675 110 Y HA 0.236 4.789 4.550 0.005 0.000 0.248 110 Y C 0.230 176.243 175.900 0.188 0.000 1.161 110 Y CA -0.390 57.843 58.100 0.221 0.000 1.203 110 Y CB 0.579 39.111 38.460 0.120 0.000 1.262 110 Y HN 0.387 nan 8.280 nan 0.000 0.544 111 E N 1.840 122.255 120.200 0.358 0.000 2.028 111 E HA 0.204 4.557 4.350 0.005 0.000 0.275 111 E C -1.222 175.540 176.600 0.271 0.000 1.171 111 E CA -0.269 56.285 56.400 0.256 0.000 1.186 111 E CB -0.118 29.704 29.700 0.204 0.000 1.256 111 E HN 0.419 nan 8.360 nan 0.000 0.474 112 Y N -2.563 117.800 120.300 0.106 0.000 2.713 112 Y HA 0.288 4.841 4.550 0.005 0.000 0.335 112 Y C 0.811 176.744 175.900 0.055 0.000 1.222 112 Y CA -1.181 56.945 58.100 0.044 0.000 1.061 112 Y CB 0.693 39.181 38.460 0.047 0.000 1.314 112 Y HN -0.135 nan 8.280 nan 0.000 0.453 113 E N 0.753 121.041 120.200 0.146 0.000 2.070 113 E HA -0.165 4.188 4.350 0.005 0.000 0.197 113 E C 0.449 177.100 176.600 0.085 0.000 1.004 113 E CA 2.554 59.000 56.400 0.078 0.000 0.805 113 E CB -0.191 29.559 29.700 0.082 0.000 0.744 113 E HN 0.759 nan 8.360 nan 0.000 0.451 114 D N -0.959 119.457 120.400 0.026 0.000 2.358 114 D HA 0.151 4.794 4.640 0.005 0.000 0.224 114 D C 1.289 177.412 176.300 -0.295 0.000 1.123 114 D CA 0.653 54.624 54.000 -0.047 0.000 0.833 114 D CB 0.019 40.920 40.800 0.167 0.000 0.946 114 D HN 0.307 nan 8.370 nan 0.000 0.505 115 G N 2.259 110.619 108.800 -0.733 0.000 2.459 115 G HA2 -0.220 3.743 3.960 0.005 0.000 0.217 115 G HA3 -0.220 3.743 3.960 0.005 0.000 0.217 115 G C -0.626 174.239 174.900 -0.058 0.000 1.183 115 G CA 0.442 45.193 45.100 -0.582 0.000 0.776 115 G HN 0.283 nan 8.290 nan 0.000 0.552 116 P HA -0.142 nan 4.420 nan 0.000 0.216 116 P C 2.411 179.607 177.300 -0.174 0.000 1.153 116 P CA 2.444 65.201 63.100 -0.571 0.000 0.858 116 P CB -0.161 30.491 31.700 -1.747 0.000 0.789 117 S N -2.096 113.491 115.700 -0.188 0.000 2.446 117 S HA -0.028 4.445 4.470 0.005 0.000 0.225 117 S C 1.840 176.545 174.600 0.175 0.000 1.016 117 S CA 0.612 58.791 58.200 -0.034 0.000 0.943 117 S CB -1.166 62.078 63.200 0.073 0.000 0.786 117 S HN -0.010 nan 8.310 nan 0.000 0.508 118 N N 1.322 120.161 118.700 0.230 0.000 2.244 118 N HA 0.022 4.765 4.740 0.005 0.000 0.183 118 N C 1.222 176.995 175.510 0.438 0.000 1.016 118 N CA 1.106 54.394 53.050 0.397 0.000 0.866 118 N CB -0.744 38.045 38.487 0.503 0.000 0.980 118 N HN 0.550 nan 8.380 nan 0.000 0.430 119 F N 1.663 121.708 119.950 0.157 0.000 2.102 119 F HA -0.024 4.505 4.527 0.005 0.000 0.298 119 F C 1.906 177.690 175.800 -0.026 0.000 1.105 119 F CA 1.085 58.941 58.000 -0.240 0.000 1.239 119 F CB -0.373 38.331 39.000 -0.494 0.000 0.991 119 F HN -0.077 nan 8.300 nan 0.000 0.474 120 L N -0.222 120.974 121.223 -0.046 0.000 2.141 120 L HA -0.204 4.139 4.340 0.005 0.000 0.209 120 L C 2.418 179.283 176.870 -0.009 0.000 1.094 120 L CA 0.951 55.728 54.840 -0.104 0.000 0.763 120 L CB -0.673 41.341 42.059 -0.075 0.000 0.908 120 L HN 0.241 nan 8.230 nan 0.000 0.437 121 L N -0.810 120.452 121.223 0.065 0.000 2.240 121 L HA -0.122 4.221 4.340 0.005 0.000 0.211 121 L C 2.013 178.887 176.870 0.007 0.000 1.106 121 L CA 0.590 55.386 54.840 -0.072 0.000 0.793 121 L CB -0.361 41.478 42.059 -0.367 0.000 0.927 121 L HN 0.235 nan 8.230 nan 0.000 0.446 122 D N -0.345 120.140 120.400 0.141 0.000 2.103 122 D HA -0.129 4.514 4.640 0.005 0.000 0.199 122 D C 2.346 178.636 176.300 -0.016 0.000 0.978 122 D CA 0.976 55.089 54.000 0.188 0.000 0.829 122 D CB -0.166 40.778 40.800 0.239 0.000 0.981 122 D HN -0.003 nan 8.370 nan 0.000 0.464 123 V N 1.318 121.084 119.914 -0.247 0.000 2.282 123 V HA -0.248 3.875 4.120 0.005 0.000 0.249 123 V C 2.163 178.157 176.094 -0.166 0.000 1.057 123 V CA 1.785 63.909 62.300 -0.293 0.000 1.032 123 V CB -0.419 31.093 31.823 -0.519 0.000 0.645 123 V HN 0.244 nan 8.190 nan 0.000 0.447 124 E N -0.676 119.456 120.200 -0.113 0.000 2.347 124 E HA -0.143 4.210 4.350 0.005 0.000 0.196 124 E C 2.038 178.607 176.600 -0.052 0.000 1.008 124 E CA 0.376 56.729 56.400 -0.079 0.000 0.852 124 E CB -0.080 29.594 29.700 -0.043 0.000 0.783 124 E HN 0.317 nan 8.360 nan 0.000 0.505 125 L N 0.796 122.018 121.223 -0.002 0.000 2.127 125 L HA -0.192 4.151 4.340 0.005 0.000 0.211 125 L C 1.994 178.877 176.870 0.021 0.000 1.089 125 L CA 1.449 56.320 54.840 0.052 0.000 0.757 125 L CB -0.498 41.645 42.059 0.142 0.000 0.899 125 L HN 0.196 nan 8.230 nan 0.000 0.434 126 L N -1.780 119.424 121.223 -0.031 0.000 2.079 126 L HA -0.243 4.100 4.340 0.005 0.000 0.210 126 L C 2.427 179.240 176.870 -0.095 0.000 1.081 126 L CA 1.874 56.679 54.840 -0.058 0.000 0.752 126 L CB -0.736 41.212 42.059 -0.186 0.000 0.896 126 L HN 0.303 nan 8.230 nan 0.000 0.433 127 T N -1.066 113.410 114.554 -0.130 0.000 3.031 127 T HA -0.045 4.308 4.350 0.005 0.000 0.254 127 T C 1.870 176.560 174.700 -0.017 0.000 1.060 127 T CA 0.656 62.692 62.100 -0.106 0.000 1.135 127 T CB 0.179 68.956 68.868 -0.152 0.000 0.896 127 T HN 0.205 nan 8.240 nan 0.000 0.472 128 K N 0.945 121.337 120.400 -0.012 0.000 2.057 128 K HA -0.029 4.294 4.320 0.005 0.000 0.206 128 K C 2.202 178.820 176.600 0.030 0.000 1.050 128 K CA 1.383 57.672 56.287 0.002 0.000 0.935 128 K CB -0.109 32.380 32.500 -0.018 0.000 0.715 128 K HN 0.205 nan 8.250 nan 0.000 0.439 129 N N 0.955 119.686 118.700 0.051 0.000 2.084 129 N HA -0.170 4.573 4.740 0.005 0.000 0.190 129 N C 1.918 177.513 175.510 0.141 0.000 1.030 129 N CA 0.947 54.043 53.050 0.076 0.000 0.849 129 N CB -0.775 37.778 38.487 0.110 0.000 1.012 129 N HN 0.205 nan 8.380 nan 0.000 0.423 130 C N 1.363 120.764 119.300 0.168 0.000 2.432 130 C HA -0.043 4.420 4.460 0.005 0.000 0.277 130 C C 2.509 177.610 174.990 0.186 0.000 1.249 130 C CA 0.796 59.949 59.018 0.225 0.000 1.725 130 C CB -0.994 26.894 27.740 0.246 0.000 2.028 130 C HN 0.458 nan 8.230 nan 0.000 0.477 131 Q N 0.267 120.144 119.800 0.128 0.000 2.124 131 Q HA -0.125 4.218 4.340 0.005 0.000 0.202 131 Q C 2.437 178.510 176.000 0.121 0.000 0.977 131 Q CA 1.778 57.663 55.803 0.136 0.000 0.850 131 Q CB -0.301 28.521 28.738 0.140 0.000 0.901 131 Q HN 0.812 nan 8.270 nan 0.000 0.429 132 A N -0.164 122.714 122.820 0.097 0.000 1.968 132 A HA -0.173 4.150 4.320 0.005 0.000 0.217 132 A C 1.780 179.418 177.584 0.089 0.000 1.169 132 A CA 1.035 53.112 52.037 0.067 0.000 0.638 132 A CB -0.468 18.552 19.000 0.033 0.000 0.812 132 A HN 0.482 nan 8.150 nan 0.000 0.446 133 Y N 0.718 121.021 120.300 0.004 0.000 2.301 133 Y HA 0.148 4.701 4.550 0.005 0.000 0.295 133 Y C 0.605 176.536 175.900 0.051 0.000 1.119 133 Y CA 0.471 58.573 58.100 0.003 0.000 1.162 133 Y CB 0.169 38.637 38.460 0.013 0.000 1.046 133 Y HN 0.225 nan 8.280 nan 0.000 0.538 134 N N 1.514 120.271 118.700 0.096 0.000 2.489 134 N HA 0.087 4.830 4.740 0.005 0.000 0.284 134 N C -0.936 174.602 175.510 0.047 0.000 1.158 134 N CA -0.462 52.616 53.050 0.046 0.000 0.965 134 N CB 0.810 39.394 38.487 0.161 0.000 1.195 134 N HN 0.259 nan 8.380 nan 0.000 0.506 135 E N 0.535 120.758 120.200 0.039 0.000 2.529 135 E HA -0.153 4.200 4.350 0.005 0.000 0.259 135 E C 0.269 176.914 176.600 0.075 0.000 0.966 135 E CA 0.294 56.720 56.400 0.043 0.000 0.937 135 E CB 0.575 30.278 29.700 0.004 0.000 0.923 135 E HN 0.545 nan 8.360 nan 0.000 0.468 136 Y N 3.042 123.324 120.300 -0.029 0.000 2.181 136 Y HA -0.197 4.356 4.550 0.005 0.000 0.288 136 Y C 1.304 177.181 175.900 -0.040 0.000 1.146 136 Y CA 1.697 59.779 58.100 -0.030 0.000 1.164 136 Y CB 0.266 38.697 38.460 -0.048 0.000 0.982 136 Y HN 0.487 nan 8.280 nan 0.000 0.515 137 D N 1.048 121.460 120.400 0.020 0.000 2.845 137 D HA 0.154 4.797 4.640 0.005 0.000 0.235 137 D C -0.857 175.375 176.300 -0.112 0.000 1.158 137 D CA 0.056 54.007 54.000 -0.081 0.000 0.990 137 D CB -0.413 40.374 40.800 -0.021 0.000 1.094 137 D HN 0.252 nan 8.370 nan 0.000 0.486 138 S N 0.386 116.010 115.700 -0.127 0.000 2.595 138 S HA 0.284 4.757 4.470 0.005 0.000 0.281 138 S C 0.604 175.183 174.600 -0.035 0.000 1.117 138 S CA -0.930 57.220 58.200 -0.083 0.000 0.873 138 S CB 1.368 64.549 63.200 -0.033 0.000 1.108 138 S HN 0.086 nan 8.310 nan 0.000 0.477 139 L N 1.841 123.082 121.223 0.030 0.000 2.093 139 L HA 0.212 4.555 4.340 0.005 0.000 0.208 139 L C 1.976 178.910 176.870 0.107 0.000 1.085 139 L CA 1.569 56.451 54.840 0.069 0.000 0.755 139 L CB -0.758 41.364 42.059 0.106 0.000 0.904 139 L HN 0.911 nan 8.230 nan 0.000 0.435 140 I N -1.672 118.979 120.570 0.135 0.000 2.286 140 I HA -0.255 3.918 4.170 0.005 0.000 0.248 140 I C 2.135 178.372 176.117 0.200 0.000 1.115 140 I CA 1.145 62.547 61.300 0.170 0.000 1.392 140 I CB 0.068 38.137 38.000 0.116 0.000 1.065 140 I HN 0.107 nan 8.210 nan 0.000 0.418 141 V N 1.377 121.344 119.914 0.088 0.000 2.295 141 V HA -0.264 3.859 4.120 0.005 0.000 0.246 141 V C 2.514 178.562 176.094 -0.077 0.000 1.049 141 V CA 1.633 63.932 62.300 -0.002 0.000 1.024 141 V CB -0.782 30.974 31.823 -0.112 0.000 0.648 141 V HN 0.354 nan 8.190 nan 0.000 0.447 142 K N 0.317 120.659 120.400 -0.096 0.000 2.147 142 K HA -0.095 4.228 4.320 0.005 0.000 0.205 142 K C 1.881 178.456 176.600 -0.042 0.000 1.049 142 K CA 1.046 57.272 56.287 -0.102 0.000 0.936 142 K CB -0.814 31.625 32.500 -0.102 0.000 0.722 142 K HN 0.418 nan 8.250 nan 0.000 0.446 143 N N 0.815 119.543 118.700 0.048 0.000 2.142 143 N HA -0.121 4.622 4.740 0.005 0.000 0.186 143 N C 1.769 177.149 175.510 -0.216 0.000 1.023 143 N CA 1.604 54.691 53.050 0.062 0.000 0.852 143 N CB -0.417 38.216 38.487 0.243 0.000 0.998 143 N HN 0.289 nan 8.380 nan 0.000 0.424 144 S N 0.677 116.208 115.700 -0.282 0.000 2.370 144 S HA -0.151 4.322 4.470 0.005 0.000 0.226 144 S C 2.007 176.309 174.600 -0.496 0.000 1.033 144 S CA 1.109 58.861 58.200 -0.746 0.000 1.011 144 S CB -0.399 62.567 63.200 -0.391 0.000 0.852 144 S HN 0.239 nan 8.310 nan 0.000 0.457 145 M N 0.925 120.357 119.600 -0.280 0.000 2.159 145 M HA -0.109 4.374 4.480 0.005 0.000 0.263 145 M C 2.724 178.871 176.300 -0.255 0.000 1.063 145 M CA 1.708 56.878 55.300 -0.216 0.000 1.110 145 M CB -0.498 32.027 32.600 -0.126 0.000 1.374 145 M HN 0.425 nan 8.290 nan 0.000 0.411 146 Q N -0.356 119.293 119.800 -0.253 0.000 2.123 146 Q HA -0.091 4.252 4.340 0.005 0.000 0.199 146 Q C 2.225 177.997 176.000 -0.379 0.000 0.966 146 Q CA 1.088 56.739 55.803 -0.254 0.000 0.845 146 Q CB -0.091 28.572 28.738 -0.125 0.000 0.907 146 Q HN 0.327 nan 8.270 nan 0.000 0.439 147 V N 0.274 119.851 119.914 -0.562 0.000 2.250 147 V HA -0.302 3.821 4.120 0.005 0.000 0.250 147 V C 2.173 177.956 176.094 -0.518 0.000 1.060 147 V CA 1.782 63.563 62.300 -0.864 0.000 1.030 147 V CB -0.519 30.569 31.823 -1.226 0.000 0.643 147 V HN 0.212 nan 8.190 nan 0.000 0.445 148 V N -0.660 118.990 119.914 -0.441 0.000 2.307 148 V HA -0.338 3.785 4.120 0.005 0.000 0.245 148 V C 2.307 178.224 176.094 -0.295 0.000 1.045 148 V CA 2.488 64.602 62.300 -0.310 0.000 1.024 148 V CB -0.577 31.089 31.823 -0.261 0.000 0.651 148 V HN 0.589 nan 8.190 nan 0.000 0.449 149 M N -0.446 118.932 119.600 -0.369 0.000 2.088 149 M HA -0.264 4.219 4.480 0.005 0.000 0.256 149 M C 2.169 177.975 176.300 -0.824 0.000 1.071 149 M CA 2.239 57.180 55.300 -0.598 0.000 1.097 149 M CB -0.292 31.983 32.600 -0.542 0.000 1.315 149 M HN 0.267 nan 8.290 nan 0.000 0.406 150 L N 0.109 121.031 121.223 -0.502 0.000 2.046 150 L HA -0.221 4.122 4.340 0.005 0.000 0.208 150 L C 2.429 179.279 176.870 -0.032 0.000 1.077 150 L CA 1.246 55.937 54.840 -0.247 0.000 0.747 150 L CB -0.594 41.387 42.059 -0.129 0.000 0.896 150 L HN 0.412 nan 8.230 nan 0.000 0.432 151 I N -0.319 120.249 120.570 -0.003 0.000 2.208 151 I HA -0.294 3.879 4.170 0.005 0.000 0.245 151 I C 2.399 178.590 176.117 0.123 0.000 1.097 151 I CA 1.475 62.836 61.300 0.101 0.000 1.363 151 I CB -0.295 37.749 38.000 0.074 0.000 1.051 151 I HN 0.304 nan 8.210 nan 0.000 0.413 152 E N 0.209 120.414 120.200 0.009 0.000 2.152 152 E HA -0.157 4.196 4.350 0.005 0.000 0.192 152 E C 2.173 178.886 176.600 0.188 0.000 0.983 152 E CA 0.884 57.325 56.400 0.069 0.000 0.818 152 E CB -0.069 29.628 29.700 -0.005 0.000 0.758 152 E HN 0.324 nan 8.360 nan 0.000 0.467 153 F N 2.048 122.039 119.950 0.069 0.000 2.091 153 F HA -0.194 4.336 4.527 0.005 0.000 0.299 153 F C 2.348 178.203 175.800 0.091 0.000 1.103 153 F CA 1.067 59.109 58.000 0.069 0.000 1.228 153 F CB -0.733 38.300 39.000 0.055 0.000 0.984 153 F HN -0.021 nan 8.300 nan 0.000 0.477 154 E N 0.106 120.504 120.200 0.329 0.000 2.110 154 E HA -0.136 4.217 4.350 0.005 0.000 0.193 154 E C 2.574 179.386 176.600 0.354 0.000 0.988 154 E CA 1.072 57.650 56.400 0.296 0.000 0.804 154 E CB -0.798 29.044 29.700 0.238 0.000 0.745 154 E HN 0.232 nan 8.360 nan 0.000 0.458 155 V N 1.449 121.557 119.914 0.324 0.000 2.427 155 V HA -0.218 3.905 4.120 0.005 0.000 0.248 155 V C 2.449 178.453 176.094 -0.151 0.000 1.051 155 V CA 1.244 63.662 62.300 0.197 0.000 1.048 155 V CB -0.481 31.487 31.823 0.242 0.000 0.666 155 V HN 0.150 nan 8.190 nan 0.000 0.456 156 L N 0.105 121.290 121.223 -0.063 0.000 2.046 156 L HA -0.149 4.194 4.340 0.005 0.000 0.208 156 L C 2.405 179.106 176.870 -0.282 0.000 1.077 156 L CA 1.963 56.708 54.840 -0.159 0.000 0.747 156 L CB -0.667 41.430 42.059 0.064 0.000 0.896 156 L HN 0.198 nan 8.230 nan 0.000 0.432 157 K N -0.769 119.554 120.400 -0.129 0.000 2.026 157 K HA -0.102 4.221 4.320 0.005 0.000 0.208 157 K C 2.022 178.467 176.600 -0.258 0.000 1.048 157 K CA 1.392 57.566 56.287 -0.188 0.000 0.929 157 K CB -0.342 32.179 32.500 0.035 0.000 0.713 157 K HN 0.470 nan 8.250 nan 0.000 0.439 158 A N 1.808 124.525 122.820 -0.172 0.000 1.929 158 A HA -0.158 4.165 4.320 0.005 0.000 0.216 158 A C 2.022 179.379 177.584 -0.378 0.000 1.176 158 A CA 1.400 53.302 52.037 -0.225 0.000 0.628 158 A CB -0.297 18.527 19.000 -0.293 0.000 0.816 158 A HN 0.265 nan 8.150 nan 0.000 0.444 159 K N -0.074 120.006 120.400 -0.534 0.000 2.103 159 K HA -0.134 4.189 4.320 0.005 0.000 0.207 159 K C 0.759 177.066 176.600 -0.488 0.000 1.048 159 K CA 1.668 57.561 56.287 -0.656 0.000 0.930 159 K CB -0.180 31.661 32.500 -1.099 0.000 0.716 159 K HN 0.397 nan 8.250 nan 0.000 0.444 160 N N 1.265 119.634 118.700 -0.552 0.000 2.276 160 N HA -0.013 4.731 4.740 0.005 0.000 0.212 160 N C 1.286 176.541 175.510 -0.426 0.000 1.127 160 N CA 0.007 52.711 53.050 -0.577 0.000 0.834 160 N CB 0.298 38.148 38.487 -1.063 0.000 1.014 160 N HN 0.232 nan 8.380 nan 0.000 0.491 161 L N 1.155 122.207 121.223 -0.284 0.000 2.034 161 L HA -0.225 4.118 4.340 0.005 0.000 0.217 161 L C 1.924 178.796 176.870 0.003 0.000 1.077 161 L CA 1.576 56.344 54.840 -0.121 0.000 0.769 161 L CB 0.014 42.027 42.059 -0.077 0.000 0.890 161 L HN 0.010 nan 8.230 nan 0.000 0.435 162 K N 0.148 120.542 120.400 -0.009 0.000 2.504 162 K HA -0.114 4.209 4.320 0.005 0.000 0.195 162 K C 1.202 177.833 176.600 0.052 0.000 1.036 162 K CA 0.993 57.392 56.287 0.186 0.000 0.984 162 K CB -0.027 32.503 32.500 0.050 0.000 0.788 162 K HN 0.588 nan 8.250 nan 0.000 0.488 163 R N -0.673 119.626 120.500 -0.335 0.000 2.600 163 R HA 0.165 4.508 4.340 0.005 0.000 0.392 163 R C 0.090 175.948 176.300 -0.737 0.000 1.032 163 R CA -0.306 55.296 56.100 -0.829 0.000 1.139 163 R CB -0.231 29.705 30.300 -0.607 0.000 1.400 163 R HN -0.190 nan 8.270 nan 0.000 0.566 164 N N 1.459 119.886 118.700 -0.454 0.000 3.298 164 N HA 0.070 4.813 4.740 0.005 0.000 0.292 164 N C -1.228 174.190 175.510 -0.153 0.000 1.271 164 N CA -0.433 52.570 53.050 -0.077 0.000 1.184 164 N CB -0.119 38.371 38.487 0.006 0.000 1.452 164 N HN 0.137 nan 8.380 nan 0.000 0.534 165 Y N 0.522 120.843 120.300 0.035 0.000 2.379 165 Y HA 0.166 4.719 4.550 0.005 0.000 0.337 165 Y C 1.076 176.976 175.900 0.001 0.000 1.238 165 Y CA -0.498 57.530 58.100 -0.121 0.000 1.405 165 Y CB 0.541 38.924 38.460 -0.128 0.000 1.310 165 Y HN 0.101 nan 8.280 nan 0.000 0.569 166 L N 3.693 125.008 121.223 0.153 0.000 2.453 166 L HA 0.064 4.407 4.340 0.005 0.000 0.272 166 L C 0.010 176.953 176.870 0.123 0.000 1.182 166 L CA 0.113 55.032 54.840 0.132 0.000 0.858 166 L CB 0.102 42.227 42.059 0.110 0.000 1.120 166 L HN 0.503 nan 8.230 nan 0.000 0.474 167 I N 4.155 124.795 120.570 0.116 0.000 2.357 167 I HA -0.031 4.142 4.170 0.005 0.000 0.300 167 I C 0.443 176.597 176.117 0.062 0.000 1.159 167 I CA -0.309 61.044 61.300 0.087 0.000 1.339 167 I CB -0.444 37.607 38.000 0.085 0.000 1.458 167 I HN 0.698 nan 8.210 nan 0.000 0.577 168 N N 3.243 121.969 118.700 0.044 0.000 2.418 168 N HA 0.168 4.911 4.740 0.005 0.000 0.283 168 N C 0.847 176.367 175.510 0.016 0.000 1.267 168 N CA -0.659 52.406 53.050 0.026 0.000 0.975 168 N CB 0.279 38.773 38.487 0.012 0.000 1.167 168 N HN 0.212 nan 8.380 nan 0.000 0.581 169 S N -0.498 115.207 115.700 0.008 0.000 2.365 169 S HA -0.182 4.291 4.470 0.005 0.000 0.225 169 S C 1.355 175.954 174.600 -0.002 0.000 1.039 169 S CA 1.445 59.646 58.200 0.002 0.000 1.033 169 S CB -0.538 62.661 63.200 -0.002 0.000 0.887 169 S HN 0.650 nan 8.310 nan 0.000 0.447 170 E N 0.208 120.403 120.200 -0.008 0.000 2.110 170 E HA -0.110 4.243 4.350 0.005 0.000 0.193 170 E C 2.050 178.653 176.600 0.004 0.000 0.988 170 E CA 1.252 57.644 56.400 -0.014 0.000 0.804 170 E CB -0.177 29.503 29.700 -0.033 0.000 0.745 170 E HN 0.315 nan 8.360 nan 0.000 0.458 171 V N 1.376 121.299 119.914 0.015 0.000 2.379 171 V HA -0.222 3.901 4.120 0.005 0.000 0.245 171 V C 2.340 178.461 176.094 0.046 0.000 1.044 171 V CA 1.682 64.020 62.300 0.064 0.000 1.036 171 V CB -0.395 31.477 31.823 0.081 0.000 0.664 171 V HN 0.160 nan 8.190 nan 0.000 0.453 172 K N 0.859 121.263 120.400 0.006 0.000 2.034 172 K HA -0.258 4.065 4.320 0.005 0.000 0.214 172 K C 2.131 178.712 176.600 -0.032 0.000 1.051 172 K CA 2.077 58.346 56.287 -0.030 0.000 0.931 172 K CB -0.485 32.009 32.500 -0.011 0.000 0.715 172 K HN 0.417 nan 8.250 nan 0.000 0.446 173 A N 0.864 123.683 122.820 -0.001 0.000 1.930 173 A HA -0.137 4.186 4.320 0.005 0.000 0.217 173 A C 1.925 179.535 177.584 0.043 0.000 1.175 173 A CA 1.425 53.467 52.037 0.008 0.000 0.627 173 A CB -0.334 18.665 19.000 -0.002 0.000 0.815 173 A HN 0.196 nan 8.150 nan 0.000 0.443 174 K N -0.222 120.235 120.400 0.096 0.000 2.062 174 K HA 0.046 4.369 4.320 0.005 0.000 0.205 174 K C 1.913 178.701 176.600 0.312 0.000 1.051 174 K CA 0.911 57.349 56.287 0.252 0.000 0.941 174 K CB -0.566 32.148 32.500 0.357 0.000 0.719 174 K HN 0.535 nan 8.250 nan 0.000 0.440 175 L N 0.828 122.067 121.223 0.026 0.000 2.083 175 L HA -0.170 4.173 4.340 0.005 0.000 0.209 175 L C 2.506 179.239 176.870 -0.229 0.000 1.083 175 L CA 0.883 55.505 54.840 -0.364 0.000 0.752 175 L CB -0.409 41.186 42.059 -0.775 0.000 0.899 175 L HN 0.135 nan 8.230 nan 0.000 0.433 176 L N -0.866 120.290 121.223 -0.112 0.000 2.017 176 L HA -0.291 4.052 4.340 0.005 0.000 0.208 176 L C 2.682 179.559 176.870 0.013 0.000 1.073 176 L CA 1.533 56.350 54.840 -0.038 0.000 0.745 176 L CB -0.620 41.431 42.059 -0.014 0.000 0.894 176 L HN 0.369 nan 8.230 nan 0.000 0.432 177 H N -0.677 118.342 119.070 -0.085 0.000 2.289 177 H HA -0.282 4.277 4.556 0.005 0.000 0.294 177 H C 2.011 177.223 175.328 -0.194 0.000 1.095 177 H CA 2.442 58.383 56.048 -0.179 0.000 1.256 177 H CB -0.332 29.242 29.762 -0.314 0.000 1.359 177 H HN 0.271 nan 8.280 nan 0.000 0.487 178 Y N -0.866 119.399 120.300 -0.058 0.000 2.373 178 Y HA -0.057 4.496 4.550 0.004 0.000 0.293 178 Y C 2.382 178.288 175.900 0.010 0.000 1.129 178 Y CA 0.796 58.842 58.100 -0.090 0.000 1.226 178 Y CB -0.311 38.120 38.460 -0.048 0.000 1.000 178 Y HN 0.286 nan 8.280 nan 0.000 0.549 179 L N 0.536 121.870 121.223 0.185 0.000 2.027 179 L HA -0.191 4.152 4.340 0.005 0.000 0.206 179 L C 1.735 178.676 176.870 0.119 0.000 1.074 179 L CA 1.792 56.767 54.840 0.224 0.000 0.745 179 L CB -0.936 41.268 42.059 0.243 0.000 0.898 179 L HN 0.071 nan 8.230 nan 0.000 0.433 180 N N 0.220 118.940 118.700 0.033 0.000 2.104 180 N HA -0.238 4.505 4.740 0.005 0.000 0.190 180 N C 1.839 177.342 175.510 -0.011 0.000 1.024 180 N CA 1.535 54.586 53.050 0.001 0.000 0.853 180 N CB -0.321 38.145 38.487 -0.035 0.000 1.008 180 N HN 0.426 nan 8.380 nan 0.000 0.424 181 K N 0.687 121.033 120.400 -0.090 0.000 2.103 181 K HA -0.068 4.255 4.320 0.005 0.000 0.207 181 K C 2.029 178.734 176.600 0.174 0.000 1.048 181 K CA 0.768 57.035 56.287 -0.033 0.000 0.930 181 K CB -0.188 32.213 32.500 -0.165 0.000 0.716 181 K HN 0.120 nan 8.250 nan 0.000 0.444 182 L N 0.230 121.578 121.223 0.208 0.000 2.056 182 L HA -0.129 4.214 4.340 0.005 0.000 0.207 182 L C 1.944 178.941 176.870 0.211 0.000 1.078 182 L CA 0.975 55.999 54.840 0.306 0.000 0.749 182 L CB -0.099 42.136 42.059 0.293 0.000 0.901 182 L HN -0.017 nan 8.230 nan 0.000 0.433 183 V N 0.039 120.042 119.914 0.148 0.000 2.343 183 V HA -0.271 3.852 4.120 0.005 0.000 0.247 183 V C 1.840 177.988 176.094 0.090 0.000 1.051 183 V CA 2.028 64.397 62.300 0.116 0.000 1.036 183 V CB -0.668 31.210 31.823 0.090 0.000 0.654 183 V HN 0.495 nan 8.190 nan 0.000 0.451 184 D N 0.289 120.734 120.400 0.075 0.000 2.347 184 D HA 0.115 4.758 4.640 0.005 0.000 0.215 184 D C 0.998 177.319 176.300 0.036 0.000 0.976 184 D CA 0.711 54.740 54.000 0.048 0.000 0.884 184 D CB -0.256 40.564 40.800 0.033 0.000 0.915 184 D HN 0.451 nan 8.370 nan 0.000 0.526 185 A N 1.124 123.975 122.820 0.051 0.000 2.524 185 A HA 0.339 4.662 4.320 0.005 0.000 0.250 185 A C 0.979 178.519 177.584 -0.075 0.000 1.078 185 A CA 0.036 52.048 52.037 -0.041 0.000 0.761 185 A CB -0.105 18.841 19.000 -0.089 0.000 1.012 185 A HN 0.190 nan 8.150 nan 0.000 0.500 186 T N -0.235 114.257 114.554 -0.105 0.000 2.923 186 T HA 0.453 4.806 4.350 0.005 0.000 0.281 186 T C 0.831 175.454 174.700 -0.128 0.000 0.995 186 T CA -0.014 62.036 62.100 -0.083 0.000 0.985 186 T CB 1.123 69.959 68.868 -0.054 0.000 1.114 186 T HN 0.547 nan 8.240 nan 0.000 0.548 187 E N 0.009 120.157 120.200 -0.087 0.000 2.153 187 E HA -0.103 4.250 4.350 0.005 0.000 0.194 187 E C 1.944 178.481 176.600 -0.105 0.000 0.988 187 E CA 1.161 57.506 56.400 -0.092 0.000 0.811 187 E CB -0.080 29.590 29.700 -0.050 0.000 0.746 187 E HN 0.588 nan 8.360 nan 0.000 0.466 188 K N 0.424 120.771 120.400 -0.089 0.000 2.116 188 K HA -0.065 4.258 4.320 0.005 0.000 0.203 188 K C 1.721 178.259 176.600 -0.103 0.000 1.052 188 K CA 0.912 57.152 56.287 -0.079 0.000 0.952 188 K CB 0.079 32.549 32.500 -0.051 0.000 0.729 188 K HN 0.040 nan 8.250 nan 0.000 0.446 189 K N 0.416 120.737 120.400 -0.131 0.000 2.097 189 K HA -0.018 4.305 4.320 0.005 0.000 0.205 189 K C 2.155 178.594 176.600 -0.268 0.000 1.050 189 K CA 1.112 57.307 56.287 -0.153 0.000 0.938 189 K CB -0.013 32.401 32.500 -0.142 0.000 0.718 189 K HN 0.125 nan 8.250 nan 0.000 0.442 190 I N 1.375 121.704 120.570 -0.402 0.000 2.286 190 I HA -0.236 3.937 4.170 0.005 0.000 0.245 190 I C 1.909 177.849 176.117 -0.295 0.000 1.104 190 I CA 0.927 61.879 61.300 -0.579 0.000 1.397 190 I CB -0.282 37.368 38.000 -0.584 0.000 1.072 190 I HN 0.222 nan 8.210 nan 0.000 0.417 191 N N 0.612 119.196 118.700 -0.193 0.000 2.188 191 N HA -0.234 4.509 4.740 0.005 0.000 0.184 191 N C 1.898 177.347 175.510 -0.101 0.000 1.018 191 N CA 1.170 54.146 53.050 -0.122 0.000 0.858 191 N CB -0.107 38.328 38.487 -0.085 0.000 0.989 191 N HN 0.346 nan 8.380 nan 0.000 0.426 192 Q N 1.517 121.261 119.800 -0.094 0.000 2.079 192 Q HA 0.009 4.352 4.340 0.005 0.000 0.200 192 Q C 1.868 177.828 176.000 -0.066 0.000 0.974 192 Q CA 1.718 57.487 55.803 -0.057 0.000 0.840 192 Q CB -0.336 28.382 28.738 -0.033 0.000 0.898 192 Q HN 0.289 nan 8.270 nan 0.000 0.430 193 A N 0.237 122.988 122.820 -0.116 0.000 1.858 193 A HA -0.120 4.203 4.320 0.005 0.000 0.216 193 A C 2.131 179.482 177.584 -0.389 0.000 1.190 193 A CA 1.586 53.492 52.037 -0.219 0.000 0.617 193 A CB -0.770 18.108 19.000 -0.204 0.000 0.827 193 A HN 0.452 nan 8.150 nan 0.000 0.443 194 L N -1.332 119.699 121.223 -0.320 0.000 2.131 194 L HA 0.040 4.383 4.340 0.005 0.000 0.206 194 L C 2.178 179.003 176.870 -0.076 0.000 1.087 194 L CA 0.746 55.453 54.840 -0.222 0.000 0.767 194 L CB -0.182 41.794 42.059 -0.139 0.000 0.917 194 L HN 0.325 nan 8.230 nan 0.000 0.441 195 L N -1.581 119.605 121.223 -0.061 0.000 2.590 195 L HA 0.269 4.612 4.340 0.005 0.000 0.227 195 L C 1.437 178.303 176.870 -0.006 0.000 1.099 195 L CA 0.366 55.192 54.840 -0.022 0.000 0.872 195 L CB 0.023 42.068 42.059 -0.024 0.000 1.088 195 L HN 0.404 nan 8.230 nan 0.000 0.479 196 G N 1.083 109.877 108.800 -0.010 0.000 2.561 196 G HA2 -0.438 3.525 3.960 0.005 0.000 0.289 196 G HA3 -0.438 3.525 3.960 0.005 0.000 0.289 196 G C 0.855 175.758 174.900 0.006 0.000 1.169 196 G CA 0.362 45.468 45.100 0.010 0.000 0.980 196 G HN 0.316 nan 8.290 nan 0.000 0.550 197 A N -0.562 122.265 122.820 0.012 0.000 2.209 197 A HA 0.438 4.761 4.320 0.005 0.000 0.212 197 A C 2.342 179.928 177.584 0.004 0.000 1.158 197 A CA 2.267 54.309 52.037 0.009 0.000 0.742 197 A CB -0.322 18.686 19.000 0.013 0.000 0.790 197 A HN 1.235 nan 8.150 nan 0.000 0.472 198 S N -0.140 115.562 115.700 0.003 0.000 2.593 198 S HA 0.082 4.555 4.470 0.005 0.000 0.217 198 S C 0.952 175.548 174.600 -0.006 0.000 0.966 198 S CA 0.238 58.438 58.200 0.001 0.000 0.914 198 S CB -0.308 62.894 63.200 0.003 0.000 0.776 198 S HN 0.540 nan 8.310 nan 0.000 0.523 199 S N 3.846 119.540 115.700 -0.010 0.000 2.516 199 S HA 0.216 4.689 4.470 0.005 0.000 0.282 199 S C -2.200 172.391 174.600 -0.014 0.000 1.286 199 S CA -1.307 56.883 58.200 -0.018 0.000 1.066 199 S CB 0.264 63.450 63.200 -0.024 0.000 0.884 199 S HN 0.183 nan 8.310 nan 0.000 0.491 200 P HA 0.253 nan 4.420 nan 0.000 0.276 200 P C -0.032 177.261 177.300 -0.012 0.000 1.244 200 P CA -0.473 62.621 63.100 -0.011 0.000 0.801 200 P CB 0.480 32.174 31.700 -0.011 0.000 1.006 201 K N 1.100 121.495 120.400 -0.009 0.000 2.262 201 K HA -0.281 4.042 4.320 0.005 0.000 0.128 201 K C -0.116 176.478 176.600 -0.010 0.000 1.418 201 K CA 1.102 57.384 56.287 -0.008 0.000 0.647 201 K CB -1.701 30.794 32.500 -0.009 0.000 0.516 201 K HN 0.667 nan 8.250 nan 0.000 0.989 202 N N 0.038 118.732 118.700 -0.011 0.000 2.549 202 N HA 0.353 5.096 4.740 0.005 0.000 0.281 202 N C -0.835 174.666 175.510 -0.015 0.000 1.084 202 N CA -0.371 52.672 53.050 -0.013 0.000 0.862 202 N CB 0.821 39.302 38.487 -0.010 0.000 1.333 202 N HN 0.205 nan 8.380 nan 0.000 0.523 203 L N 0.507 121.718 121.223 -0.020 0.000 2.642 203 L HA 0.366 4.709 4.340 0.005 0.000 0.229 203 L C 0.641 177.498 176.870 -0.022 0.000 1.179 203 L CA -0.330 54.498 54.840 -0.021 0.000 0.834 203 L CB 0.270 42.313 42.059 -0.027 0.000 1.515 203 L HN 0.459 nan 8.230 nan 0.000 0.512 204 D N -1.199 119.188 120.400 -0.022 0.000 2.350 204 D HA 0.066 4.709 4.640 0.005 0.000 0.249 204 D C -0.399 175.886 176.300 -0.025 0.000 1.119 204 D CA 0.118 54.107 54.000 -0.019 0.000 0.886 204 D CB 0.658 41.450 40.800 -0.014 0.000 1.195 204 D HN 0.430 nan 8.370 nan 0.000 0.437 205 D N 2.234 122.622 120.400 -0.020 0.000 2.571 205 D HA 0.159 4.802 4.640 0.005 0.000 0.239 205 D C 0.410 176.701 176.300 -0.015 0.000 1.267 205 D CA 0.058 54.044 54.000 -0.022 0.000 0.823 205 D CB 0.412 41.200 40.800 -0.019 0.000 1.056 205 D HN 0.339 nan 8.370 nan 0.000 0.494 206 K N -0.957 119.436 120.400 -0.011 0.000 2.309 206 K HA 0.197 4.520 4.320 0.005 0.000 0.210 206 K C 0.359 176.958 176.600 -0.002 0.000 1.114 206 K CA 0.125 56.409 56.287 -0.005 0.000 0.912 206 K CB 0.989 33.487 32.500 -0.003 0.000 1.198 206 K HN -0.156 nan 8.250 nan 0.000 0.471 207 V N 4.174 124.088 119.914 -0.001 0.000 2.479 207 V HA 0.047 4.170 4.120 0.005 0.000 0.281 207 V C -0.087 176.013 176.094 0.010 0.000 1.031 207 V CA -0.008 62.296 62.300 0.006 0.000 1.038 207 V CB 0.474 32.302 31.823 0.008 0.000 0.981 207 V HN 0.174 nan 8.190 nan 0.000 0.478 208 K N 4.267 124.680 120.400 0.022 0.000 2.349 208 K HA 0.220 4.543 4.320 0.005 0.000 0.288 208 K C 0.603 177.242 176.600 0.066 0.000 1.058 208 K CA -0.449 55.860 56.287 0.037 0.000 0.953 208 K CB 0.946 33.474 32.500 0.047 0.000 0.997 208 K HN 0.416 nan 8.250 nan 0.000 0.477 209 L N 2.274 123.540 121.223 0.071 0.000 2.131 209 L HA -0.229 4.114 4.340 0.005 0.000 0.210 209 L C 2.264 179.296 176.870 0.269 0.000 1.092 209 L CA 1.586 56.505 54.840 0.132 0.000 0.759 209 L CB -0.593 41.511 42.059 0.076 0.000 0.903 209 L HN 0.746 nan 8.230 nan 0.000 0.435 210 S N -1.277 114.562 115.700 0.232 0.000 2.440 210 S HA -0.252 4.221 4.470 0.005 0.000 0.238 210 S C 1.851 176.653 174.600 0.337 0.000 1.010 210 S CA 1.042 59.445 58.200 0.339 0.000 0.972 210 S CB -0.426 62.898 63.200 0.206 0.000 0.774 210 S HN 0.393 nan 8.310 nan 0.000 0.501 211 E N 2.992 123.300 120.200 0.179 0.000 2.095 211 E HA -0.150 4.203 4.350 0.005 0.000 0.212 211 E C -0.712 175.881 176.600 -0.012 0.000 1.044 211 E CA 2.267 58.709 56.400 0.069 0.000 0.857 211 E CB -1.141 28.577 29.700 0.031 0.000 0.764 211 E HN 0.585 nan 8.360 nan 0.000 0.462 212 P HA -0.003 nan 4.420 nan 0.000 0.245 212 P C 0.149 177.158 177.300 -0.484 0.000 1.212 212 P CA 0.674 63.558 63.100 -0.360 0.000 0.774 212 P CB -0.075 31.323 31.700 -0.503 0.000 0.999 213 F N -1.870 118.084 119.950 0.007 0.000 2.678 213 F HA 0.239 4.770 4.527 0.005 0.000 0.305 213 F C 2.224 178.002 175.800 -0.038 0.000 1.090 213 F CA -0.011 57.981 58.000 -0.012 0.000 1.272 213 F CB -0.378 38.647 39.000 0.042 0.000 1.060 213 F HN -0.255 nan 8.300 nan 0.000 0.576 214 M N -0.388 119.271 119.600 0.098 0.000 2.123 214 M HA 0.004 4.487 4.480 0.005 0.000 0.263 214 M C 0.687 176.996 176.300 0.016 0.000 1.069 214 M CA 1.539 56.872 55.300 0.056 0.000 1.133 214 M CB -0.540 32.085 32.600 0.040 0.000 1.356 214 M HN -0.094 nan 8.290 nan 0.000 0.415 215 E N 0.191 120.382 120.200 -0.015 0.000 2.299 215 E HA 0.464 4.817 4.350 0.005 0.000 0.265 215 E C -0.665 175.903 176.600 -0.054 0.000 0.911 215 E CA -0.692 55.692 56.400 -0.027 0.000 0.789 215 E CB 1.920 31.601 29.700 -0.033 0.000 1.246 215 E HN 0.191 nan 8.360 nan 0.000 0.427 216 L N 1.131 122.333 121.223 -0.034 0.000 2.456 216 L HA 0.059 4.402 4.340 0.005 0.000 0.272 216 L C 0.412 177.220 176.870 -0.103 0.000 1.189 216 L CA -0.415 54.401 54.840 -0.040 0.000 0.846 216 L CB 0.323 42.419 42.059 0.062 0.000 1.111 216 L HN 0.195 nan 8.230 nan 0.000 0.475 217 V N 2.665 122.418 119.914 -0.269 0.000 2.644 217 V HA -0.135 3.988 4.120 0.005 0.000 0.305 217 V C 0.642 176.706 176.094 -0.051 0.000 1.053 217 V CA 0.251 62.341 62.300 -0.349 0.000 1.186 217 V CB 0.574 31.793 31.823 -1.008 0.000 0.895 217 V HN 0.704 nan 8.190 nan 0.000 0.490 218 D N 4.898 125.266 120.400 -0.054 0.000 2.358 218 D HA 0.003 4.646 4.640 0.005 0.000 0.258 218 D C 1.040 177.378 176.300 0.063 0.000 1.223 218 D CA -0.043 53.956 54.000 -0.002 0.000 0.886 218 D CB 0.765 41.549 40.800 -0.027 0.000 1.120 218 D HN 0.581 nan 8.370 nan 0.000 0.482 219 K N 3.462 123.901 120.400 0.064 0.000 2.147 219 K HA -0.149 4.174 4.320 0.005 0.000 0.205 219 K C 0.674 177.309 176.600 0.058 0.000 1.049 219 K CA 0.982 57.321 56.287 0.086 0.000 0.936 219 K CB 0.284 32.653 32.500 -0.218 0.000 0.722 219 K HN 0.516 nan 8.250 nan 0.000 0.446 220 D N 0.566 120.973 120.400 0.012 0.000 2.183 220 D HA -0.110 4.533 4.640 0.005 0.000 0.203 220 D C 1.731 178.045 176.300 0.024 0.000 0.969 220 D CA 0.769 54.777 54.000 0.013 0.000 0.842 220 D CB 0.196 40.993 40.800 -0.005 0.000 0.957 220 D HN 0.263 nan 8.370 nan 0.000 0.484 221 E N 0.281 120.492 120.200 0.019 0.000 2.072 221 E HA 0.025 4.378 4.350 0.005 0.000 0.190 221 E C 1.075 177.696 176.600 0.035 0.000 0.982 221 E CA 0.358 56.767 56.400 0.016 0.000 0.803 221 E CB 0.486 30.182 29.700 -0.006 0.000 0.755 221 E HN 0.225 nan 8.360 nan 0.000 0.453 222 L N 2.346 123.598 121.223 0.048 0.000 2.529 222 L HA 0.165 4.508 4.340 0.005 0.000 0.246 222 L C -1.882 175.069 176.870 0.135 0.000 1.394 222 L CA -1.275 53.609 54.840 0.074 0.000 0.906 222 L CB 1.444 43.504 42.059 0.001 0.000 1.170 222 L HN -0.110 nan 8.230 nan 0.000 0.501 223 P HA -0.207 nan 4.420 nan 0.000 0.216 223 P C 1.115 178.525 177.300 0.183 0.000 1.150 223 P CA 1.181 64.379 63.100 0.163 0.000 0.837 223 P CB 0.160 31.924 31.700 0.106 0.000 0.786 224 E N -0.387 119.913 120.200 0.166 0.000 2.267 224 E HA -0.235 4.119 4.350 0.005 0.000 0.197 224 E C 1.998 178.689 176.600 0.151 0.000 0.998 224 E CA 0.924 57.431 56.400 0.178 0.000 0.830 224 E CB -1.419 28.413 29.700 0.218 0.000 0.751 224 E HN 0.315 nan 8.360 nan 0.000 0.491 225 Y N 0.875 121.090 120.300 -0.142 0.000 2.181 225 Y HA -0.245 4.308 4.550 0.005 0.000 0.288 225 Y C 1.533 177.109 175.900 -0.540 0.000 1.146 225 Y CA 1.782 59.485 58.100 -0.661 0.000 1.164 225 Y CB -0.250 37.609 38.460 -1.003 0.000 0.982 225 Y HN -0.073 nan 8.280 nan 0.000 0.515 226 Y N 0.027 120.323 120.300 -0.006 0.000 2.544 226 Y HA 0.002 4.555 4.550 0.005 0.000 0.286 226 Y C 2.058 177.921 175.900 -0.062 0.000 1.141 226 Y CA 0.816 58.897 58.100 -0.031 0.000 1.299 226 Y CB -0.157 38.336 38.460 0.054 0.000 1.030 226 Y HN 0.204 nan 8.280 nan 0.000 0.543 227 E N -0.303 119.932 120.200 0.059 0.000 2.152 227 E HA -0.129 4.224 4.350 0.005 0.000 0.192 227 E C 1.520 178.055 176.600 -0.107 0.000 0.983 227 E CA 0.896 57.322 56.400 0.044 0.000 0.818 227 E CB 0.093 29.839 29.700 0.077 0.000 0.758 227 E HN 0.348 nan 8.360 nan 0.000 0.467 228 I N 0.369 120.802 120.570 -0.228 0.000 2.499 228 I HA -0.031 4.142 4.170 0.005 0.000 0.243 228 I C 1.003 176.711 176.117 -0.681 0.000 1.085 228 I CA 0.560 61.664 61.300 -0.327 0.000 1.422 228 I CB -0.357 37.595 38.000 -0.080 0.000 1.165 228 I HN -0.177 nan 8.210 nan 0.000 0.440 229 V N 3.449 122.950 119.914 -0.688 0.000 2.372 229 V HA 0.055 4.178 4.120 0.005 0.000 0.261 229 V C 1.444 177.287 176.094 -0.419 0.000 1.055 229 V CA -0.136 61.786 62.300 -0.630 0.000 0.930 229 V CB 0.054 31.311 31.823 -0.943 0.000 1.031 229 V HN 0.318 nan 8.190 nan 0.000 0.479 230 H N 1.857 120.893 119.070 -0.056 0.000 2.512 230 H HA 0.111 4.670 4.556 0.005 0.000 0.279 230 H C 0.706 176.093 175.328 0.097 0.000 0.999 230 H CA 0.533 56.608 56.048 0.045 0.000 1.283 230 H CB 0.592 30.396 29.762 0.070 0.000 1.421 230 H HN 0.562 nan 8.280 nan 0.000 0.554 231 S N 2.547 118.336 115.700 0.149 0.000 2.150 231 S HA 0.277 4.750 4.470 0.005 0.000 0.171 231 S C -2.669 171.996 174.600 0.108 0.000 1.620 231 S CA -1.192 57.103 58.200 0.159 0.000 1.190 231 S CB 1.527 64.832 63.200 0.175 0.000 1.102 231 S HN 0.054 nan 8.310 nan 0.000 0.464 232 P HA 0.374 nan 4.420 nan 0.000 0.268 232 P C -0.471 176.896 177.300 0.113 0.000 1.204 232 P CA -0.216 62.972 63.100 0.147 0.000 0.768 232 P CB 0.405 32.292 31.700 0.312 0.000 0.842 233 M N 2.726 122.368 119.600 0.070 0.000 2.520 233 M HA 0.738 5.221 4.480 0.005 0.000 0.283 233 M C -1.907 174.388 176.300 -0.009 0.000 1.237 233 M CA -0.788 54.521 55.300 0.016 0.000 0.885 233 M CB 2.124 34.699 32.600 -0.042 0.000 1.727 233 M HN 0.412 nan 8.290 nan 0.000 0.468 234 A N 3.037 125.841 122.820 -0.025 0.000 2.587 234 A HA 0.666 4.989 4.320 0.005 0.000 0.293 234 A C -0.293 177.267 177.584 -0.041 0.000 1.087 234 A CA -0.702 51.320 52.037 -0.024 0.000 0.692 234 A CB 0.921 19.921 19.000 -0.001 0.000 1.291 234 A HN 0.959 nan 8.150 nan 0.000 0.407 235 L N 1.024 122.229 121.223 -0.031 0.000 2.141 235 L HA -0.146 4.197 4.340 0.005 0.000 0.209 235 L C 2.710 179.588 176.870 0.013 0.000 1.094 235 L CA 1.972 56.789 54.840 -0.038 0.000 0.763 235 L CB -0.350 41.709 42.059 -0.001 0.000 0.908 235 L HN 0.920 nan 8.230 nan 0.000 0.437 236 S N -0.065 115.648 115.700 0.022 0.000 2.406 236 S HA -0.088 4.385 4.470 0.005 0.000 0.228 236 S C 1.895 176.511 174.600 0.028 0.000 1.020 236 S CA 0.633 58.850 58.200 0.028 0.000 0.965 236 S CB -0.539 62.673 63.200 0.020 0.000 0.798 236 S HN 0.372 nan 8.310 nan 0.000 0.488 237 I N 1.512 122.094 120.570 0.021 0.000 2.226 237 I HA -0.119 4.054 4.170 0.005 0.000 0.245 237 I C 2.400 178.549 176.117 0.053 0.000 1.100 237 I CA 0.948 62.261 61.300 0.023 0.000 1.374 237 I CB -0.553 37.459 38.000 0.019 0.000 1.057 237 I HN 0.211 nan 8.210 nan 0.000 0.413 238 V N 0.972 120.935 119.914 0.082 0.000 2.343 238 V HA -0.299 3.824 4.120 0.005 0.000 0.247 238 V C 2.541 178.786 176.094 0.252 0.000 1.051 238 V CA 1.871 64.295 62.300 0.207 0.000 1.036 238 V CB -0.721 31.145 31.823 0.072 0.000 0.654 238 V HN 0.393 nan 8.190 nan 0.000 0.451 239 K N -0.129 120.361 120.400 0.151 0.000 1.991 239 K HA -0.303 4.020 4.320 0.005 0.000 0.212 239 K C 2.378 179.025 176.600 0.079 0.000 1.049 239 K CA 2.263 58.624 56.287 0.123 0.000 0.932 239 K CB -0.258 32.289 32.500 0.078 0.000 0.717 239 K HN 0.503 nan 8.250 nan 0.000 0.441 240 Q N 0.324 120.149 119.800 0.042 0.000 2.045 240 Q HA -0.239 4.104 4.340 0.005 0.000 0.206 240 Q C 1.812 177.788 176.000 -0.040 0.000 0.991 240 Q CA 2.072 57.876 55.803 0.002 0.000 0.851 240 Q CB -0.098 28.634 28.738 -0.009 0.000 0.911 240 Q HN 0.342 nan 8.270 nan 0.000 0.418 241 N N 0.411 119.058 118.700 -0.089 0.000 2.094 241 N HA -0.189 4.554 4.740 0.005 0.000 0.191 241 N C 1.651 177.009 175.510 -0.253 0.000 1.023 241 N CA 1.020 53.892 53.050 -0.297 0.000 0.857 241 N CB -0.464 37.631 38.487 -0.653 0.000 1.013 241 N HN 0.217 nan 8.380 nan 0.000 0.426 242 L N 1.860 123.086 121.223 0.006 0.000 2.017 242 L HA -0.109 4.234 4.340 0.005 0.000 0.208 242 L C 1.916 178.799 176.870 0.021 0.000 1.073 242 L CA 1.689 56.602 54.840 0.121 0.000 0.745 242 L CB -0.725 41.438 42.059 0.174 0.000 0.894 242 L HN 0.182 nan 8.230 nan 0.000 0.432 243 E N -0.332 119.873 120.200 0.008 0.000 2.085 243 E HA -0.208 4.145 4.350 0.005 0.000 0.194 243 E C 1.919 178.511 176.600 -0.014 0.000 0.994 243 E CA 1.802 58.200 56.400 -0.003 0.000 0.801 243 E CB -0.320 29.380 29.700 0.000 0.000 0.743 243 E HN 0.741 nan 8.360 nan 0.000 0.453 244 I N -2.893 117.658 120.570 -0.032 0.000 3.810 244 I HA 0.346 4.519 4.170 0.005 0.000 0.322 244 I C 0.835 176.928 176.117 -0.041 0.000 1.288 244 I CA 0.260 61.539 61.300 -0.035 0.000 1.143 244 I CB 0.074 38.050 38.000 -0.040 0.000 1.012 244 I HN 0.056 nan 8.210 nan 0.000 0.423 245 G N 2.057 110.833 108.800 -0.040 0.000 2.298 245 G HA2 -0.223 3.740 3.960 0.005 0.000 0.287 245 G HA3 -0.223 3.740 3.960 0.005 0.000 0.287 245 G C 0.523 175.395 174.900 -0.046 0.000 1.075 245 G CA 0.258 45.346 45.100 -0.020 0.000 0.960 245 G HN 0.533 nan 8.290 nan 0.000 0.502 246 Q N -1.451 118.258 119.800 -0.151 0.000 2.392 246 Q HA 0.119 4.462 4.340 0.005 0.000 0.203 246 Q C 0.018 175.887 176.000 -0.218 0.000 0.917 246 Q CA 0.567 56.241 55.803 -0.215 0.000 0.939 246 Q CB 0.496 29.040 28.738 -0.323 0.000 1.063 246 Q HN 0.704 nan 8.270 nan 0.000 0.516 247 Y N -0.127 120.206 120.300 0.056 0.000 2.353 247 Y HA 0.202 4.755 4.550 0.005 0.000 0.340 247 Y C 1.454 177.397 175.900 0.072 0.000 0.972 247 Y CA -0.849 57.294 58.100 0.073 0.000 1.157 247 Y CB 1.414 39.935 38.460 0.102 0.000 1.157 247 Y HN -0.149 nan 8.280 nan 0.000 0.495 248 S N 2.568 118.412 115.700 0.240 0.000 2.348 248 S HA -0.038 4.435 4.470 0.005 0.000 0.221 248 S C 0.462 175.169 174.600 0.178 0.000 1.033 248 S CA 1.361 59.670 58.200 0.182 0.000 1.010 248 S CB 0.034 63.341 63.200 0.179 0.000 0.891 248 S HN 0.590 nan 8.310 nan 0.000 0.442 249 K N -0.743 119.772 120.400 0.191 0.000 2.443 249 K HA 0.434 4.757 4.320 0.005 0.000 0.251 249 K C 0.635 177.337 176.600 0.170 0.000 0.972 249 K CA -0.524 55.869 56.287 0.177 0.000 0.833 249 K CB 1.334 33.940 32.500 0.177 0.000 1.317 249 K HN -0.033 nan 8.250 nan 0.000 0.441 250 I N 0.657 121.336 120.570 0.182 0.000 2.194 250 I HA -0.313 3.860 4.170 0.005 0.000 0.246 250 I C 1.409 177.548 176.117 0.036 0.000 1.093 250 I CA 1.791 63.164 61.300 0.121 0.000 1.355 250 I CB -0.123 37.992 38.000 0.193 0.000 1.046 250 I HN 0.574 nan 8.210 nan 0.000 0.413 251 Y N 0.786 121.126 120.300 0.067 0.000 2.561 251 Y HA -0.143 4.410 4.550 0.005 0.000 0.291 251 Y C 2.095 177.950 175.900 -0.074 0.000 1.141 251 Y CA 0.620 58.725 58.100 0.009 0.000 1.303 251 Y CB -0.366 38.100 38.460 0.010 0.000 1.015 251 Y HN 0.228 nan 8.280 nan 0.000 0.547 252 D N -0.366 120.058 120.400 0.039 0.000 2.097 252 D HA -0.216 4.427 4.640 0.005 0.000 0.197 252 D C 1.991 178.000 176.300 -0.485 0.000 0.984 252 D CA 1.215 55.172 54.000 -0.071 0.000 0.826 252 D CB -0.707 40.176 40.800 0.138 0.000 0.973 252 D HN 0.340 nan 8.370 nan 0.000 0.460 253 F N 1.758 121.240 119.950 -0.780 0.000 2.102 253 F HA -0.130 4.400 4.527 0.005 0.000 0.298 253 F C 2.199 177.656 175.800 -0.573 0.000 1.105 253 F CA 1.162 58.556 58.000 -1.010 0.000 1.239 253 F CB -0.325 38.308 39.000 -0.612 0.000 0.991 253 F HN -0.161 nan 8.300 nan 0.000 0.474 254 I N -0.217 120.053 120.570 -0.500 0.000 2.179 254 I HA -0.297 3.876 4.170 0.005 0.000 0.242 254 I C 2.265 178.099 176.117 -0.472 0.000 1.088 254 I CA 0.982 62.015 61.300 -0.445 0.000 1.357 254 I CB -0.528 37.209 38.000 -0.437 0.000 1.051 254 I HN 0.163 nan 8.210 nan 0.000 0.409 255 I N 0.978 121.274 120.570 -0.456 0.000 2.179 255 I HA -0.299 3.874 4.170 0.005 0.000 0.242 255 I C 2.085 177.772 176.117 -0.718 0.000 1.088 255 I CA 1.631 62.526 61.300 -0.676 0.000 1.357 255 I CB -0.939 36.716 38.000 -0.576 0.000 1.051 255 I HN 0.160 nan 8.210 nan 0.000 0.409 256 D N -0.486 119.569 120.400 -0.575 0.000 2.182 256 D HA -0.166 4.477 4.640 0.005 0.000 0.201 256 D C 2.277 178.222 176.300 -0.592 0.000 0.986 256 D CA 0.949 54.674 54.000 -0.460 0.000 0.847 256 D CB -0.075 40.534 40.800 -0.319 0.000 0.942 256 D HN 0.130 nan 8.370 nan 0.000 0.467 257 M N -0.320 118.778 119.600 -0.836 0.000 2.099 257 M HA -0.050 4.433 4.480 0.005 0.000 0.262 257 M C 2.281 178.012 176.300 -0.948 0.000 1.067 257 M CA 0.919 55.579 55.300 -1.067 0.000 1.124 257 M CB -0.840 30.839 32.600 -1.534 0.000 1.353 257 M HN 0.100 nan 8.290 nan 0.000 0.410 258 L N -0.322 120.548 121.223 -0.588 0.000 2.131 258 L HA -0.211 4.132 4.340 0.005 0.000 0.210 258 L C 2.455 179.229 176.870 -0.160 0.000 1.092 258 L CA 0.458 55.161 54.840 -0.229 0.000 0.759 258 L CB -0.797 41.202 42.059 -0.100 0.000 0.903 258 L HN 0.232 nan 8.230 nan 0.000 0.435 259 L N -0.354 120.706 121.223 -0.273 0.000 2.042 259 L HA -0.166 4.177 4.340 0.005 0.000 0.210 259 L C 2.424 179.197 176.870 -0.161 0.000 1.076 259 L CA 1.646 56.454 54.840 -0.053 0.000 0.749 259 L CB -0.437 41.572 42.059 -0.083 0.000 0.893 259 L HN -0.078 nan 8.230 nan 0.000 0.432 260 V N -0.131 119.539 119.914 -0.407 0.000 2.231 260 V HA -0.348 3.775 4.120 0.005 0.000 0.248 260 V C 2.361 178.235 176.094 -0.366 0.000 1.054 260 V CA 2.495 64.524 62.300 -0.451 0.000 1.015 260 V CB -0.984 30.364 31.823 -0.791 0.000 0.638 260 V HN 0.386 nan 8.190 nan 0.000 0.444 261 F N -0.121 119.666 119.950 -0.272 0.000 2.259 261 F HA -0.080 4.451 4.527 0.005 0.000 0.298 261 F C 2.502 178.074 175.800 -0.381 0.000 1.088 261 F CA 1.346 59.103 58.000 -0.406 0.000 1.358 261 F CB -0.973 37.746 39.000 -0.467 0.000 1.040 261 F HN 0.133 nan 8.300 nan 0.000 0.505 262 Q N 0.744 120.520 119.800 -0.040 0.000 2.083 262 Q HA -0.118 4.225 4.340 0.005 0.000 0.198 262 Q C 1.777 177.790 176.000 0.022 0.000 0.969 262 Q CA 1.672 57.480 55.803 0.009 0.000 0.838 262 Q CB -0.446 28.366 28.738 0.124 0.000 0.900 262 Q HN 0.461 nan 8.270 nan 0.000 0.436 263 N N -0.628 118.084 118.700 0.021 0.000 2.149 263 N HA -0.209 4.534 4.740 0.005 0.000 0.188 263 N C 1.588 177.168 175.510 0.116 0.000 1.019 263 N CA 0.853 53.922 53.050 0.031 0.000 0.857 263 N CB -0.185 38.314 38.487 0.019 0.000 0.997 263 N HN 0.334 nan 8.380 nan 0.000 0.426 264 A N 0.970 123.879 122.820 0.148 0.000 1.933 264 A HA -0.184 4.139 4.320 0.005 0.000 0.218 264 A C 1.610 179.340 177.584 0.243 0.000 1.175 264 A CA 1.366 53.556 52.037 0.256 0.000 0.628 264 A CB -0.596 18.620 19.000 0.360 0.000 0.814 264 A HN 0.327 nan 8.150 nan 0.000 0.444 265 H N -0.320 118.775 119.070 0.042 0.000 2.462 265 H HA 0.002 4.561 4.556 0.005 0.000 0.292 265 H C 2.008 177.457 175.328 0.200 0.000 1.049 265 H CA 1.155 57.176 56.048 -0.045 0.000 1.334 265 H CB -0.127 29.509 29.762 -0.210 0.000 1.404 265 H HN 0.406 nan 8.280 nan 0.000 0.544 266 I N -0.545 120.164 120.570 0.232 0.000 2.235 266 I HA -0.198 3.975 4.170 0.005 0.000 0.241 266 I C 2.323 178.503 176.117 0.105 0.000 1.085 266 I CA 0.810 62.179 61.300 0.116 0.000 1.378 266 I CB -1.272 36.737 38.000 0.016 0.000 1.076 266 I HN 0.072 nan 8.210 nan 0.000 0.415 267 F N 2.222 122.170 119.950 -0.004 0.000 2.113 267 F HA -0.003 4.527 4.527 0.005 0.000 0.297 267 F C 1.405 177.258 175.800 0.089 0.000 1.103 267 F CA 0.888 58.867 58.000 -0.035 0.000 1.248 267 F CB -0.144 38.792 39.000 -0.106 0.000 0.999 267 F HN 0.051 nan 8.300 nan 0.000 0.475 268 N N 1.160 119.933 118.700 0.121 0.000 2.493 268 N HA 0.038 4.781 4.740 0.005 0.000 0.275 268 N C -1.187 174.407 175.510 0.141 0.000 1.186 268 N CA -0.322 52.772 53.050 0.073 0.000 0.978 268 N CB 0.779 39.456 38.487 0.317 0.000 1.184 268 N HN 0.129 nan 8.380 nan 0.000 0.487 269 D N 0.294 120.704 120.400 0.018 0.000 2.350 269 D HA 0.154 4.797 4.640 0.005 0.000 0.249 269 D C -1.575 174.565 176.300 -0.267 0.000 1.119 269 D CA -1.626 52.342 54.000 -0.053 0.000 0.886 269 D CB 1.173 41.925 40.800 -0.079 0.000 1.195 269 D HN 0.176 nan 8.370 nan 0.000 0.437 270 P HA -0.196 nan 4.420 nan 0.000 0.217 270 P C 1.014 177.986 177.300 -0.546 0.000 1.148 270 P CA 1.272 63.609 63.100 -1.272 0.000 0.834 270 P CB 0.001 31.177 31.700 -0.874 0.000 0.783 271 S N -1.764 113.759 115.700 -0.295 0.000 2.522 271 S HA 0.148 4.621 4.470 0.005 0.000 0.227 271 S C 1.088 175.653 174.600 -0.058 0.000 0.986 271 S CA 0.128 58.240 58.200 -0.146 0.000 0.929 271 S CB -0.893 62.234 63.200 -0.121 0.000 0.769 271 S HN 0.116 nan 8.310 nan 0.000 0.529 272 A N 1.330 124.134 122.820 -0.025 0.000 2.386 272 A HA 0.577 4.900 4.320 0.005 0.000 0.248 272 A C 1.063 178.720 177.584 0.122 0.000 1.082 272 A CA -0.451 51.620 52.037 0.057 0.000 0.789 272 A CB 0.087 19.142 19.000 0.092 0.000 1.025 272 A HN 0.517 nan 8.150 nan 0.000 0.490 273 L N 1.951 123.237 121.223 0.105 0.000 2.156 273 L HA -0.028 4.315 4.340 0.005 0.000 0.208 273 L C 1.902 178.873 176.870 0.168 0.000 1.095 273 L CA 1.233 56.140 54.840 0.112 0.000 0.770 273 L CB -0.088 42.013 42.059 0.070 0.000 0.914 273 L HN 0.865 nan 8.230 nan 0.000 0.439 274 I N -1.358 119.322 120.570 0.183 0.000 2.617 274 I HA -0.266 3.907 4.170 0.005 0.000 0.256 274 I C 2.236 178.575 176.117 0.369 0.000 1.167 274 I CA 0.812 62.245 61.300 0.221 0.000 1.469 274 I CB -0.032 38.023 38.000 0.092 0.000 1.098 274 I HN 0.345 nan 8.210 nan 0.000 0.436 275 Y N 2.072 122.517 120.300 0.243 0.000 2.128 275 Y HA -0.344 4.209 4.550 0.005 0.000 0.284 275 Y C 2.342 178.433 175.900 0.319 0.000 1.154 275 Y CA 2.011 60.306 58.100 0.325 0.000 1.149 275 Y CB -0.045 38.555 38.460 0.233 0.000 0.976 275 Y HN 0.017 nan 8.280 nan 0.000 0.505 276 K N 0.545 121.211 120.400 0.444 0.000 2.032 276 K HA -0.180 4.143 4.320 0.005 0.000 0.209 276 K C 1.615 178.329 176.600 0.190 0.000 1.048 276 K CA 1.942 58.400 56.287 0.285 0.000 0.927 276 K CB -0.499 32.113 32.500 0.187 0.000 0.712 276 K HN 0.316 nan 8.250 nan 0.000 0.441 277 D N 0.053 120.575 120.400 0.204 0.000 2.123 277 D HA -0.148 4.495 4.640 0.005 0.000 0.196 277 D C 1.736 178.064 176.300 0.047 0.000 0.992 277 D CA 1.539 55.644 54.000 0.175 0.000 0.833 277 D CB -0.336 40.657 40.800 0.322 0.000 0.954 277 D HN 0.245 nan 8.370 nan 0.000 0.455 278 A N 0.029 122.900 122.820 0.085 0.000 1.972 278 A HA -0.166 4.157 4.320 0.005 0.000 0.219 278 A C 2.314 179.712 177.584 -0.309 0.000 1.169 278 A CA 2.014 53.880 52.037 -0.285 0.000 0.635 278 A CB -0.788 18.026 19.000 -0.311 0.000 0.810 278 A HN 0.237 nan 8.150 nan 0.000 0.446 279 T N -0.508 114.038 114.554 -0.015 0.000 2.777 279 T HA -0.095 4.258 4.350 0.005 0.000 0.266 279 T C 2.025 176.694 174.700 -0.052 0.000 1.040 279 T CA 1.854 63.990 62.100 0.061 0.000 1.141 279 T CB -0.486 68.466 68.868 0.138 0.000 0.868 279 T HN 0.527 nan 8.240 nan 0.000 0.444 280 T N 2.414 116.931 114.554 -0.061 0.000 2.737 280 T HA 0.070 4.423 4.350 0.005 0.000 0.265 280 T C 1.986 176.602 174.700 -0.139 0.000 1.038 280 T CA 0.853 62.911 62.100 -0.070 0.000 1.144 280 T CB -0.436 68.403 68.868 -0.048 0.000 0.866 280 T HN 0.219 nan 8.240 nan 0.000 0.434 281 L N 0.676 121.709 121.223 -0.317 0.000 2.141 281 L HA -0.093 4.250 4.340 0.005 0.000 0.209 281 L C 2.867 179.322 176.870 -0.692 0.000 1.094 281 L CA 1.070 55.593 54.840 -0.529 0.000 0.763 281 L CB -0.862 40.661 42.059 -0.892 0.000 0.908 281 L HN 0.284 nan 8.230 nan 0.000 0.437 282 T N -0.661 113.470 114.554 -0.704 0.000 2.777 282 T HA -0.112 4.241 4.350 0.005 0.000 0.266 282 T C 1.689 176.364 174.700 -0.041 0.000 1.040 282 T CA 1.255 63.141 62.100 -0.356 0.000 1.141 282 T CB -0.199 68.576 68.868 -0.154 0.000 0.868 282 T HN 0.289 nan 8.240 nan 0.000 0.444 283 N N 0.536 119.222 118.700 -0.023 0.000 2.142 283 N HA -0.063 4.680 4.740 0.005 0.000 0.186 283 N C 1.517 177.107 175.510 0.133 0.000 1.023 283 N CA 0.914 54.001 53.050 0.062 0.000 0.852 283 N CB -0.503 38.015 38.487 0.052 0.000 0.998 283 N HN 0.423 nan 8.380 nan 0.000 0.424 284 Y N 0.464 120.751 120.300 -0.022 0.000 2.263 284 Y HA -0.077 4.476 4.550 0.004 0.000 0.292 284 Y C 2.156 178.145 175.900 0.147 0.000 1.130 284 Y CA 0.745 58.865 58.100 0.035 0.000 1.179 284 Y CB -0.591 37.849 38.460 -0.033 0.000 0.998 284 Y HN -0.030 nan 8.280 nan 0.000 0.532 285 F N 1.241 121.120 119.950 -0.117 0.000 2.102 285 F HA -0.241 4.290 4.527 0.006 0.000 0.298 285 F C 2.049 177.787 175.800 -0.102 0.000 1.105 285 F CA 2.133 60.050 58.000 -0.140 0.000 1.239 285 F CB -0.714 38.240 39.000 -0.076 0.000 0.991 285 F HN 0.018 nan 8.300 nan 0.000 0.474 286 N N -0.720 117.892 118.700 -0.148 0.000 2.331 286 N HA -0.210 4.533 4.740 0.005 0.000 0.180 286 N C 1.816 177.242 175.510 -0.140 0.000 1.019 286 N CA 1.214 54.138 53.050 -0.210 0.000 0.881 286 N CB -0.805 37.671 38.487 -0.018 0.000 0.972 286 N HN 0.506 nan 8.380 nan 0.000 0.435 287 Y N 1.929 122.134 120.300 -0.159 0.000 2.097 287 Y HA -0.134 4.418 4.550 0.004 0.000 0.282 287 Y C 2.201 177.972 175.900 -0.215 0.000 1.152 287 Y CA 1.478 59.500 58.100 -0.131 0.000 1.136 287 Y CB -0.476 37.949 38.460 -0.058 0.000 0.975 287 Y HN -0.059 nan 8.280 nan 0.000 0.498 288 L N -0.384 120.672 121.223 -0.278 0.000 2.083 288 L HA -0.247 4.096 4.340 0.005 0.000 0.209 288 L C 2.266 178.836 176.870 -0.501 0.000 1.083 288 L CA 0.804 55.417 54.840 -0.379 0.000 0.752 288 L CB -0.503 41.368 42.059 -0.313 0.000 0.899 288 L HN 0.355 nan 8.230 nan 0.000 0.433 289 I N -0.687 119.564 120.570 -0.531 0.000 2.277 289 I HA -0.171 4.002 4.170 0.005 0.000 0.243 289 I C 2.577 178.619 176.117 -0.125 0.000 1.094 289 I CA 1.257 62.298 61.300 -0.433 0.000 1.393 289 I CB -0.952 36.695 38.000 -0.589 0.000 1.078 289 I HN 0.344 nan 8.210 nan 0.000 0.417 290 Q N 0.629 120.344 119.800 -0.141 0.000 2.123 290 Q HA -0.052 4.291 4.340 0.005 0.000 0.196 290 Q C 2.056 177.984 176.000 -0.121 0.000 0.958 290 Q CA 0.980 56.759 55.803 -0.040 0.000 0.841 290 Q CB -0.106 28.604 28.738 -0.047 0.000 0.915 290 Q HN 0.417 nan 8.270 nan 0.000 0.455 291 K N 0.484 120.699 120.400 -0.309 0.000 2.262 291 K HA 0.067 4.390 4.320 0.005 0.000 0.200 291 K C 1.555 177.988 176.600 -0.278 0.000 1.049 291 K CA 0.627 56.706 56.287 -0.346 0.000 0.979 291 K CB 0.593 32.703 32.500 -0.651 0.000 0.773 291 K HN 0.319 nan 8.250 nan 0.000 0.474 292 E N -0.730 119.284 120.200 -0.309 0.000 2.419 292 E HA 0.049 4.402 4.350 0.005 0.000 0.197 292 E C 1.700 178.157 176.600 -0.240 0.000 0.920 292 E CA -0.127 56.161 56.400 -0.187 0.000 1.085 292 E CB -0.269 29.393 29.700 -0.063 0.000 1.084 292 E HN 0.019 nan 8.360 nan 0.000 0.490 293 F N 1.602 121.140 119.950 -0.686 0.000 2.051 293 F HA -0.183 4.347 4.527 0.005 0.000 0.296 293 F C 1.955 177.508 175.800 -0.412 0.000 1.122 293 F CA 1.543 59.059 58.000 -0.806 0.000 1.201 293 F CB -0.269 38.084 39.000 -1.078 0.000 0.978 293 F HN -0.106 nan 8.300 nan 0.000 0.472 294 F N 0.577 120.301 119.950 -0.376 0.000 2.146 294 F HA -0.005 4.525 4.527 0.004 0.000 0.298 294 F C -0.503 175.145 175.800 -0.254 0.000 1.096 294 F CA 1.087 58.875 58.000 -0.353 0.000 1.275 294 F CB -2.278 36.653 39.000 -0.116 0.000 1.008 294 F HN 0.045 nan 8.300 nan 0.000 0.480 295 P HA -0.184 nan 4.420 nan 0.000 0.217 295 P C 1.500 178.755 177.300 -0.074 0.000 1.150 295 P CA 1.552 64.631 63.100 -0.036 0.000 0.832 295 P CB -0.029 31.647 31.700 -0.040 0.000 0.787 296 E N -0.300 119.829 120.200 -0.118 0.000 2.051 296 E HA -0.159 4.194 4.350 0.005 0.000 0.192 296 E C 1.944 178.443 176.600 -0.167 0.000 0.991 296 E CA 0.924 57.258 56.400 -0.112 0.000 0.799 296 E CB -0.552 29.112 29.700 -0.060 0.000 0.748 296 E HN 0.125 nan 8.360 nan 0.000 0.449 297 L N 0.738 121.781 121.223 -0.300 0.000 2.083 297 L HA -0.225 4.118 4.340 0.005 0.000 0.209 297 L C 2.887 179.658 176.870 -0.165 0.000 1.083 297 L CA 1.356 56.017 54.840 -0.297 0.000 0.752 297 L CB -0.442 41.334 42.059 -0.471 0.000 0.899 297 L HN 0.333 nan 8.230 nan 0.000 0.433 298 Q N 0.226 119.971 119.800 -0.091 0.000 2.083 298 Q HA -0.226 4.117 4.340 0.005 0.000 0.198 298 Q C 1.561 177.531 176.000 -0.050 0.000 0.969 298 Q CA 2.008 57.786 55.803 -0.040 0.000 0.838 298 Q CB 0.074 28.814 28.738 0.004 0.000 0.900 298 Q HN 0.497 nan 8.270 nan 0.000 0.436 299 D N 0.426 120.794 120.400 -0.054 0.000 2.087 299 D HA -0.165 4.478 4.640 0.005 0.000 0.192 299 D C 1.965 178.233 176.300 -0.054 0.000 0.993 299 D CA 1.589 55.562 54.000 -0.045 0.000 0.828 299 D CB -0.083 40.693 40.800 -0.040 0.000 0.968 299 D HN 0.209 nan 8.370 nan 0.000 0.448 300 L N 0.297 121.477 121.223 -0.072 0.000 2.191 300 L HA -0.150 4.193 4.340 0.005 0.000 0.212 300 L C 1.994 178.816 176.870 -0.080 0.000 1.103 300 L CA 0.657 55.453 54.840 -0.074 0.000 0.769 300 L CB -0.381 41.625 42.059 -0.088 0.000 0.908 300 L HN 0.095 nan 8.230 nan 0.000 0.438 301 N N 0.436 119.080 118.700 -0.094 0.000 2.109 301 N HA -0.173 4.570 4.740 0.005 0.000 0.188 301 N C 1.744 177.218 175.510 -0.060 0.000 1.034 301 N CA 1.278 54.270 53.050 -0.096 0.000 0.846 301 N CB 0.057 38.466 38.487 -0.130 0.000 1.010 301 N HN 0.234 nan 8.380 nan 0.000 0.425 302 E N -0.294 119.879 120.200 -0.045 0.000 2.160 302 E HA -0.132 4.221 4.350 0.005 0.000 0.195 302 E C 1.371 177.956 176.600 -0.026 0.000 0.991 302 E CA 0.927 57.311 56.400 -0.028 0.000 0.810 302 E CB 0.005 29.692 29.700 -0.020 0.000 0.742 302 E HN 0.361 nan 8.360 nan 0.000 0.466 303 R N -0.380 120.101 120.500 -0.032 0.000 2.334 303 R HA 0.129 4.472 4.340 0.005 0.000 0.220 303 R C 0.614 176.896 176.300 -0.030 0.000 0.917 303 R CA 0.395 56.478 56.100 -0.028 0.000 1.073 303 R CB 0.524 30.807 30.300 -0.028 0.000 1.056 303 R HN 0.126 nan 8.270 nan 0.000 0.506 304 G N 1.974 110.753 108.800 -0.035 0.000 2.333 304 G HA2 -0.284 3.679 3.960 0.005 0.000 0.296 304 G HA3 -0.284 3.679 3.960 0.005 0.000 0.296 304 G C 0.207 175.084 174.900 -0.039 0.000 1.059 304 G CA 0.469 45.548 45.100 -0.035 0.000 1.050 304 G HN 0.504 nan 8.290 nan 0.000 0.508 305 E N -1.245 118.925 120.200 -0.049 0.000 2.441 305 E HA 0.220 4.573 4.350 0.005 0.000 0.212 305 E C 0.739 177.303 176.600 -0.061 0.000 0.840 305 E CA 0.050 56.420 56.400 -0.050 0.000 1.143 305 E CB 0.777 30.448 29.700 -0.050 0.000 1.153 305 E HN 0.461 nan 8.360 nan 0.000 0.539 306 I N 1.401 121.923 120.570 -0.081 0.000 2.608 306 I HA 0.236 4.409 4.170 0.005 0.000 0.295 306 I C -0.461 175.586 176.117 -0.116 0.000 1.049 306 I CA -0.796 60.444 61.300 -0.100 0.000 1.063 306 I CB 1.533 39.455 38.000 -0.130 0.000 1.248 306 I HN -0.068 nan 8.210 nan 0.000 0.424 307 N N 6.641 125.278 118.700 -0.105 0.000 2.521 307 N HA 0.325 5.068 4.740 0.005 0.000 0.236 307 N C -1.110 174.301 175.510 -0.166 0.000 1.067 307 N CA -0.233 52.754 53.050 -0.105 0.000 0.939 307 N CB 0.507 38.959 38.487 -0.058 0.000 1.201 307 N HN 0.473 nan 8.380 nan 0.000 0.511 308 L N 4.134 125.194 121.223 -0.271 0.000 2.255 308 L HA 0.343 4.686 4.340 0.005 0.000 0.289 308 L C 0.790 177.455 176.870 -0.341 0.000 1.046 308 L CA -0.526 53.996 54.840 -0.530 0.000 0.816 308 L CB 0.667 42.076 42.059 -1.084 0.000 1.197 308 L HN 0.432 nan 8.230 nan 0.000 0.427 309 E N 2.242 122.339 120.200 -0.172 0.000 2.316 309 E HA 0.686 5.039 4.350 0.005 0.000 0.258 309 E C -1.236 175.338 176.600 -0.043 0.000 0.952 309 E CA -0.805 55.595 56.400 0.001 0.000 0.818 309 E CB 1.998 31.732 29.700 0.056 0.000 1.260 309 E HN 0.151 nan 8.360 nan 0.000 0.416 310 F N -0.604 119.452 119.950 0.178 0.000 2.740 310 F HA 0.499 5.029 4.527 0.005 0.000 0.357 310 F C -0.480 175.390 175.800 0.116 0.000 1.141 310 F CA -0.504 57.592 58.000 0.160 0.000 1.044 310 F CB 2.295 41.370 39.000 0.125 0.000 1.430 310 F HN 0.562 nan 8.300 nan 0.000 0.518 311 D N -0.506 120.119 120.400 0.375 0.000 2.583 311 D HA 0.397 5.040 4.640 0.005 0.000 0.248 311 D C -1.651 174.765 176.300 0.194 0.000 1.209 311 D CA -0.511 53.630 54.000 0.235 0.000 0.848 311 D CB 1.627 42.562 40.800 0.225 0.000 1.431 311 D HN 0.148 nan 8.370 nan 0.000 0.436 312 K N 2.609 123.093 120.400 0.140 0.000 2.950 312 K HA 0.219 4.542 4.320 0.005 0.000 0.199 312 K C -1.320 175.350 176.600 0.117 0.000 1.144 312 K CA -0.427 55.928 56.287 0.113 0.000 0.983 312 K CB 0.380 32.913 32.500 0.055 0.000 1.187 312 K HN 0.434 nan 8.250 nan 0.000 0.595 313 F N 0.000 119.985 119.950 0.058 0.000 2.286 313 F HA 0.000 4.530 4.527 0.005 0.000 0.279 313 F CA 0.000 58.032 58.000 0.053 0.000 1.383 313 F CB 0.000 39.043 39.000 0.072 0.000 1.145 313 F HN 0.000 nan 8.300 nan 0.000 0.574