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 3e2z_1_A DATA FIRST_RESID 42 DATA SEQUENCE NAKRIEGLDS NVWVEFTKLA ADPSVVNLGQ GFPDISPPSY VKEELSKAAF DATA SEQUENCE IDNMNQYTRG FGHPALVKAL SCLYGKIYQR QIDPNEEILV AVGAYGSLFN DATA SEQUENCE SIQGLVDPGD EVIIMVPFYD CYEPMVRMAG AVPVFIPLRS KPTDGMKWTS DATA SEQUENCE SDWTFDPREL ESKFSSKTKA IILNTPHNPL GKVYTRQELQ VIADLCVKHD DATA SEQUENCE TLCISDEVYE WLVYTGHTHV KIATLPGMWE RTITIGSAGX TFSVTGWKLG DATA SEQUENCE WSIGPAHLIK HLQTVQQNSF YTCATPLQAA LAEAFWIDIK RMDDPECYFN DATA SEQUENCE SLPKELEVKR DRMVRLLNSV GLKPIVPDGG YFIIADVSSL GADLSDMNSD DATA SEQUENCE EPYDYKFVKW MTKHKKLTAI PVSAFCDSKS KPHFEKLVRF CFIKKDSTLD DATA SEQUENCE AAEEIFRAWN 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 42 N HA 0.000 nan 4.740 nan 0.000 0.220 42 N C 0.000 175.519 175.510 0.014 0.000 1.280 42 N CA 0.000 53.057 53.050 0.013 0.000 0.885 42 N CB 0.000 38.494 38.487 0.012 0.000 1.341 43 A N 1.852 124.683 122.820 0.018 0.000 2.498 43 A HA 0.245 4.566 4.320 0.001 0.000 0.239 43 A C 1.116 178.711 177.584 0.018 0.000 1.068 43 A CA -0.330 51.718 52.037 0.019 0.000 0.766 43 A CB 0.333 19.348 19.000 0.024 0.000 1.003 43 A HN 0.731 nan 8.150 nan 0.000 0.497 44 K N 1.961 122.369 120.400 0.014 0.000 2.152 44 K HA -0.207 4.113 4.320 0.001 0.000 0.206 44 K C 1.866 178.475 176.600 0.015 0.000 1.048 44 K CA 1.925 58.219 56.287 0.012 0.000 0.933 44 K CB -0.365 32.140 32.500 0.007 0.000 0.721 44 K HN 0.903 nan 8.250 nan 0.000 0.447 45 R N 1.578 122.089 120.500 0.019 0.000 2.193 45 R HA -0.071 4.270 4.340 0.001 0.000 0.229 45 R C 1.676 177.995 176.300 0.033 0.000 1.110 45 R CA 1.374 57.488 56.100 0.023 0.000 0.988 45 R CB -0.732 29.586 30.300 0.029 0.000 0.871 45 R HN 0.352 nan 8.270 nan 0.000 0.458 46 I N -1.164 119.426 120.570 0.033 0.000 3.399 46 I HA 0.390 4.561 4.170 0.001 0.000 0.345 46 I C -0.707 175.425 176.117 0.026 0.000 1.512 46 I CA -0.998 60.324 61.300 0.037 0.000 1.047 46 I CB 0.546 38.572 38.000 0.043 0.000 1.552 46 I HN -0.177 nan 8.210 nan 0.000 0.494 47 E N 2.431 122.643 120.200 0.021 0.000 2.290 47 E HA 0.358 4.709 4.350 0.001 0.000 0.277 47 E C 1.175 177.784 176.600 0.015 0.000 1.035 47 E CA 0.447 56.855 56.400 0.015 0.000 0.873 47 E CB 0.962 30.668 29.700 0.011 0.000 1.029 47 E HN 0.607 nan 8.360 nan 0.000 0.419 48 G N 4.737 113.544 108.800 0.011 0.000 2.421 48 G HA2 -0.236 3.725 3.960 0.001 0.000 0.300 48 G HA3 -0.236 3.725 3.960 0.001 0.000 0.300 48 G C 0.305 175.213 174.900 0.014 0.000 0.974 48 G CA 0.785 45.890 45.100 0.008 0.000 1.062 48 G HN 0.519 nan 8.290 nan 0.000 0.514 49 L N -0.279 120.955 121.223 0.019 0.000 3.122 49 L HA 0.210 4.550 4.340 0.001 0.000 0.274 49 L C 1.746 178.630 176.870 0.023 0.000 1.222 49 L CA 0.423 55.281 54.840 0.029 0.000 1.028 49 L CB 0.122 42.209 42.059 0.046 0.000 1.386 49 L HN 0.473 nan 8.230 nan 0.000 0.578 50 D N -0.488 119.917 120.400 0.008 0.000 2.216 50 D HA -0.053 4.588 4.640 0.001 0.000 0.208 50 D C 0.927 177.219 176.300 -0.014 0.000 0.960 50 D CA 0.322 54.323 54.000 0.002 0.000 0.861 50 D CB 0.063 40.862 40.800 -0.001 0.000 0.985 50 D HN 0.244 nan 8.370 nan 0.000 0.493 51 S N 0.094 115.777 115.700 -0.028 0.000 2.576 51 S HA 0.311 4.781 4.470 0.001 0.000 0.276 51 S C -0.233 174.327 174.600 -0.066 0.000 1.339 51 S CA -0.788 57.378 58.200 -0.057 0.000 1.039 51 S CB 0.913 64.070 63.200 -0.073 0.000 0.902 51 S HN 0.382 nan 8.310 nan 0.000 0.516 52 N N 0.254 118.890 118.700 -0.107 0.000 2.493 52 N HA 0.273 5.014 4.740 0.001 0.000 0.279 52 N C 0.464 175.806 175.510 -0.280 0.000 1.082 52 N CA -0.406 52.572 53.050 -0.121 0.000 0.963 52 N CB 1.758 40.238 38.487 -0.011 0.000 1.627 52 N HN 0.516 nan 8.380 nan 0.000 0.499 53 V N 2.146 121.756 119.914 -0.507 0.000 2.295 53 V HA -0.081 4.040 4.120 0.001 0.000 0.246 53 V C 1.408 176.824 176.094 -1.132 0.000 1.049 53 V CA 1.348 63.054 62.300 -0.990 0.000 1.024 53 V CB -1.020 30.078 31.823 -1.209 0.000 0.648 53 V HN 0.809 nan 8.190 nan 0.000 0.447 54 W N 0.154 121.257 121.300 -0.327 0.000 2.342 54 W HA -0.069 4.592 4.660 0.001 0.000 0.297 54 W C 2.557 179.020 176.519 -0.093 0.000 1.213 54 W CA 1.432 58.725 57.345 -0.085 0.000 1.251 54 W CB -0.939 28.545 29.460 0.041 0.000 1.136 54 W HN 0.101 nan 8.180 nan 0.000 0.526 55 V N 1.045 120.979 119.914 0.034 0.000 2.214 55 V HA -0.342 3.779 4.120 0.001 0.000 0.245 55 V C 2.060 178.101 176.094 -0.089 0.000 1.047 55 V CA 2.395 64.688 62.300 -0.012 0.000 0.998 55 V CB -1.062 30.746 31.823 -0.024 0.000 0.633 55 V HN 0.190 nan 8.190 nan 0.000 0.446 56 E N -0.164 119.896 120.200 -0.234 0.000 2.164 56 E HA -0.277 4.074 4.350 0.001 0.000 0.206 56 E C 1.688 178.201 176.600 -0.145 0.000 1.032 56 E CA 1.843 58.092 56.400 -0.251 0.000 0.832 56 E CB -0.328 29.138 29.700 -0.390 0.000 0.742 56 E HN 0.630 nan 8.360 nan 0.000 0.460 57 F N 0.379 120.302 119.950 -0.045 0.000 2.769 57 F HA 0.062 4.590 4.527 0.002 0.000 0.304 57 F C 1.978 177.788 175.800 0.017 0.000 1.158 57 F CA 0.375 58.353 58.000 -0.036 0.000 1.398 57 F CB -0.525 38.450 39.000 -0.042 0.000 1.094 57 F HN -0.128 nan 8.300 nan 0.000 0.553 58 T N -0.799 113.847 114.554 0.154 0.000 2.985 58 T HA -0.068 4.283 4.350 0.001 0.000 0.266 58 T C 2.006 176.747 174.700 0.069 0.000 1.076 58 T CA 0.956 63.120 62.100 0.108 0.000 1.135 58 T CB 0.016 68.924 68.868 0.066 0.000 0.890 58 T HN 0.114 nan 8.240 nan 0.000 0.480 59 K N 0.714 121.152 120.400 0.064 0.000 2.444 59 K HA 0.258 4.579 4.320 0.001 0.000 0.193 59 K C 1.585 178.201 176.600 0.026 0.000 1.024 59 K CA -0.034 56.273 56.287 0.034 0.000 1.077 59 K CB 0.080 32.597 32.500 0.028 0.000 0.833 59 K HN 0.352 nan 8.250 nan 0.000 0.517 60 L N 0.354 121.602 121.223 0.041 0.000 1.972 60 L HA 0.007 4.347 4.340 0.001 0.000 0.209 60 L C 0.949 177.808 176.870 -0.019 0.000 1.125 60 L CA 0.657 55.505 54.840 0.012 0.000 0.784 60 L CB -0.224 41.838 42.059 0.004 0.000 0.902 60 L HN -0.022 nan 8.230 nan 0.000 0.444 61 A N -0.395 122.409 122.820 -0.027 0.000 3.091 61 A HA 0.443 4.764 4.320 0.001 0.000 0.264 61 A C 0.912 178.471 177.584 -0.041 0.000 1.673 61 A CA 0.330 52.341 52.037 -0.043 0.000 1.362 61 A CB -0.198 18.770 19.000 -0.053 0.000 1.137 61 A HN 0.477 nan 8.150 nan 0.000 0.617 62 A N 0.381 123.183 122.820 -0.031 0.000 2.238 62 A HA 0.101 4.422 4.320 0.001 0.000 0.208 62 A C 0.805 178.363 177.584 -0.042 0.000 1.177 62 A CA 0.292 52.308 52.037 -0.035 0.000 0.804 62 A CB -0.113 18.873 19.000 -0.022 0.000 0.823 62 A HN 0.577 nan 8.150 nan 0.000 0.482 63 D N 0.309 120.680 120.400 -0.048 0.000 2.277 63 D HA 0.208 4.849 4.640 0.001 0.000 0.249 63 D C -1.244 175.024 176.300 -0.054 0.000 1.134 63 D CA -1.971 51.998 54.000 -0.053 0.000 0.863 63 D CB 1.438 42.201 40.800 -0.062 0.000 1.143 63 D HN 0.067 nan 8.370 nan 0.000 0.458 64 P HA -0.130 nan 4.420 nan 0.000 0.218 64 P C 0.905 178.178 177.300 -0.045 0.000 1.149 64 P CA 0.810 63.883 63.100 -0.044 0.000 0.817 64 P CB 0.190 31.867 31.700 -0.037 0.000 0.785 65 S N -0.684 114.985 115.700 -0.051 0.000 2.634 65 S HA 0.155 4.625 4.470 0.001 0.000 0.221 65 S C 0.639 175.201 174.600 -0.063 0.000 0.952 65 S CA -0.444 57.723 58.200 -0.054 0.000 0.930 65 S CB -1.088 62.077 63.200 -0.059 0.000 0.780 65 S HN 0.075 nan 8.310 nan 0.000 0.498 66 V N -0.080 119.796 119.914 -0.063 0.000 2.834 66 V HA 0.758 4.879 4.120 0.001 0.000 0.313 66 V C -0.534 175.532 176.094 -0.046 0.000 1.060 66 V CA -0.756 61.503 62.300 -0.068 0.000 0.989 66 V CB 1.883 33.657 31.823 -0.081 0.000 1.041 66 V HN 0.109 nan 8.190 nan 0.000 0.459 67 V N 4.871 124.763 119.914 -0.037 0.000 2.328 67 V HA 0.393 4.514 4.120 0.001 0.000 0.278 67 V C 0.055 176.160 176.094 0.019 0.000 1.021 67 V CA -0.465 61.834 62.300 -0.002 0.000 0.838 67 V CB 0.901 32.728 31.823 0.006 0.000 0.999 67 V HN 0.967 nan 8.190 nan 0.000 0.447 68 N N 5.505 124.219 118.700 0.024 0.000 2.406 68 N HA 0.325 5.066 4.740 0.001 0.000 0.251 68 N C -0.117 175.449 175.510 0.094 0.000 1.069 68 N CA -0.174 52.892 53.050 0.028 0.000 0.947 68 N CB 0.978 39.456 38.487 -0.015 0.000 1.111 68 N HN 0.636 nan 8.380 nan 0.000 0.497 69 L N 2.543 123.840 121.223 0.122 0.000 3.141 69 L HA 0.393 4.733 4.340 0.001 0.000 0.267 69 L C 1.472 178.441 176.870 0.166 0.000 1.281 69 L CA -0.388 54.581 54.840 0.216 0.000 1.037 69 L CB 0.603 42.900 42.059 0.396 0.000 1.407 69 L HN 0.565 nan 8.230 nan 0.000 0.566 70 G N -0.537 108.320 108.800 0.096 0.000 2.726 70 G HA2 0.026 3.987 3.960 0.001 0.000 0.221 70 G HA3 0.026 3.987 3.960 0.001 0.000 0.221 70 G C 0.427 175.448 174.900 0.202 0.000 1.327 70 G CA -0.029 45.109 45.100 0.065 0.000 0.884 70 G HN 0.194 nan 8.290 nan 0.000 0.581 71 Q N 0.245 120.166 119.800 0.201 0.000 2.432 71 Q HA 0.446 4.787 4.340 0.001 0.000 0.264 71 Q C 0.814 177.003 176.000 0.316 0.000 1.035 71 Q CA 0.624 56.569 55.803 0.236 0.000 0.908 71 Q CB 0.827 29.665 28.738 0.166 0.000 1.280 71 Q HN 0.295 nan 8.270 nan 0.000 0.455 72 G N 1.453 110.454 108.800 0.336 0.000 3.541 72 G HA2 0.218 4.179 3.960 0.001 0.000 0.253 72 G HA3 0.218 4.179 3.960 0.001 0.000 0.253 72 G C -0.997 174.041 174.900 0.231 0.000 1.017 72 G CA -0.236 45.141 45.100 0.462 0.000 1.832 72 G HN 0.458 nan 8.290 nan 0.000 0.649 73 F N 2.308 122.274 119.950 0.028 0.000 2.308 73 F HA 0.501 5.029 4.527 0.001 0.000 0.370 73 F C -2.221 173.534 175.800 -0.074 0.000 1.100 73 F CA -3.187 54.806 58.000 -0.012 0.000 1.108 73 F CB 1.628 40.635 39.000 0.010 0.000 1.293 73 F HN 0.005 nan 8.300 nan 0.000 0.478 74 P HA 0.071 nan 4.420 nan 0.000 0.267 74 P C -0.465 176.610 177.300 -0.374 0.000 1.200 74 P CA 0.442 63.331 63.100 -0.352 0.000 0.772 74 P CB 0.648 32.142 31.700 -0.343 0.000 0.855 75 D N 0.938 121.256 120.400 -0.137 0.000 2.562 75 D HA 0.031 4.672 4.640 0.001 0.000 0.246 75 D C 0.595 176.878 176.300 -0.028 0.000 1.347 75 D CA -0.178 53.798 54.000 -0.040 0.000 0.800 75 D CB -0.940 39.961 40.800 0.168 0.000 1.111 75 D HN 0.357 nan 8.370 nan 0.000 0.508 76 I N -1.211 119.327 120.570 -0.053 0.000 3.327 76 I HA 0.312 4.483 4.170 0.001 0.000 0.280 76 I C 0.185 176.271 176.117 -0.051 0.000 1.207 76 I CA -0.578 60.704 61.300 -0.030 0.000 1.280 76 I CB 0.530 38.524 38.000 -0.010 0.000 1.417 76 I HN -0.265 nan 8.210 nan 0.000 0.639 77 S N 3.285 118.965 115.700 -0.034 0.000 2.565 77 S HA 0.407 4.878 4.470 0.001 0.000 0.274 77 S C -2.028 172.516 174.600 -0.094 0.000 1.309 77 S CA -0.738 57.423 58.200 -0.065 0.000 1.043 77 S CB 0.698 63.865 63.200 -0.055 0.000 0.939 77 S HN 0.546 nan 8.310 nan 0.000 0.504 78 P HA 0.324 nan 4.420 nan 0.000 0.274 78 P C -2.684 174.391 177.300 -0.375 0.000 1.256 78 P CA -1.457 61.484 63.100 -0.264 0.000 0.795 78 P CB -0.562 30.943 31.700 -0.324 0.000 1.038 79 P HA -0.033 nan 4.420 nan 0.000 0.265 79 P C 0.986 177.773 177.300 -0.855 0.000 1.193 79 P CA 0.341 62.894 63.100 -0.911 0.000 0.765 79 P CB 0.147 30.703 31.700 -1.906 0.000 0.823 80 S N 3.147 118.560 115.700 -0.478 0.000 2.365 80 S HA -0.297 4.174 4.470 0.001 0.000 0.225 80 S C 1.838 176.289 174.600 -0.248 0.000 1.039 80 S CA 1.778 59.832 58.200 -0.242 0.000 1.033 80 S CB -1.886 61.276 63.200 -0.064 0.000 0.887 80 S HN 0.570 nan 8.310 nan 0.000 0.447 81 Y N 1.976 122.222 120.300 -0.091 0.000 2.114 81 Y HA -0.051 4.500 4.550 0.001 0.000 0.282 81 Y C 2.342 178.178 175.900 -0.105 0.000 1.165 81 Y CA 0.832 58.881 58.100 -0.086 0.000 1.148 81 Y CB -1.412 36.987 38.460 -0.100 0.000 0.972 81 Y HN 0.121 nan 8.280 nan 0.000 0.504 82 V N 0.944 120.553 119.914 -0.508 0.000 2.332 82 V HA -0.308 3.812 4.120 0.001 0.000 0.248 82 V C 2.296 178.332 176.094 -0.096 0.000 1.055 82 V CA 2.401 64.492 62.300 -0.348 0.000 1.038 82 V CB -0.756 30.665 31.823 -0.671 0.000 0.651 82 V HN 0.395 nan 8.190 nan 0.000 0.450 83 K N -0.152 120.168 120.400 -0.133 0.000 2.155 83 K HA -0.105 4.215 4.320 0.001 0.000 0.203 83 K C 2.150 178.777 176.600 0.044 0.000 1.052 83 K CA 1.221 57.516 56.287 0.013 0.000 0.948 83 K CB -0.150 32.328 32.500 -0.037 0.000 0.728 83 K HN 0.568 nan 8.250 nan 0.000 0.448 84 E N 0.919 121.133 120.200 0.022 0.000 2.072 84 E HA -0.170 4.181 4.350 0.001 0.000 0.191 84 E C 1.795 178.440 176.600 0.075 0.000 0.985 84 E CA 0.810 57.242 56.400 0.053 0.000 0.801 84 E CB -0.007 29.727 29.700 0.058 0.000 0.750 84 E HN 0.294 nan 8.360 nan 0.000 0.452 85 E N 1.234 121.486 120.200 0.086 0.000 2.110 85 E HA -0.114 4.237 4.350 0.001 0.000 0.193 85 E C 2.255 178.901 176.600 0.077 0.000 0.988 85 E CA 0.334 56.791 56.400 0.095 0.000 0.804 85 E CB -0.263 29.502 29.700 0.108 0.000 0.745 85 E HN 0.259 nan 8.360 nan 0.000 0.458 86 L N 0.734 122.012 121.223 0.091 0.000 2.083 86 L HA -0.181 4.160 4.340 0.001 0.000 0.209 86 L C 2.562 179.402 176.870 -0.050 0.000 1.083 86 L CA 1.139 55.969 54.840 -0.017 0.000 0.752 86 L CB -0.196 41.856 42.059 -0.012 0.000 0.899 86 L HN 0.109 nan 8.230 nan 0.000 0.433 87 S N -0.345 115.359 115.700 0.007 0.000 2.345 87 S HA -0.206 4.264 4.470 0.001 0.000 0.220 87 S C 1.919 176.560 174.600 0.068 0.000 1.031 87 S CA 1.259 59.464 58.200 0.008 0.000 0.996 87 S CB 0.008 63.266 63.200 0.096 0.000 0.882 87 S HN 0.361 nan 8.310 nan 0.000 0.445 88 K N 1.028 121.497 120.400 0.116 0.000 1.988 88 K HA -0.166 4.155 4.320 0.001 0.000 0.221 88 K C 2.395 179.054 176.600 0.098 0.000 1.053 88 K CA 1.334 57.707 56.287 0.144 0.000 0.959 88 K CB -0.828 31.735 32.500 0.105 0.000 0.728 88 K HN 0.422 nan 8.250 nan 0.000 0.447 89 A N 1.538 124.380 122.820 0.037 0.000 1.916 89 A HA -0.352 3.969 4.320 0.001 0.000 0.224 89 A C 2.386 179.935 177.584 -0.059 0.000 1.366 89 A CA 3.040 55.068 52.037 -0.014 0.000 0.692 89 A CB -1.359 17.604 19.000 -0.062 0.000 0.841 89 A HN 0.530 nan 8.150 nan 0.000 0.480 90 A N -2.690 120.038 122.820 -0.154 0.000 2.076 90 A HA 0.050 4.370 4.320 0.001 0.000 0.220 90 A C 1.696 179.091 177.584 -0.315 0.000 1.160 90 A CA 1.665 53.523 52.037 -0.299 0.000 0.653 90 A CB -0.598 18.114 19.000 -0.480 0.000 0.801 90 A HN 0.551 nan 8.150 nan 0.000 0.455 91 F N -0.866 119.070 119.950 -0.024 0.000 2.695 91 F HA 0.362 4.890 4.527 0.001 0.000 0.303 91 F C 0.423 176.215 175.800 -0.014 0.000 1.091 91 F CA -0.461 57.528 58.000 -0.018 0.000 1.300 91 F CB 0.180 39.173 39.000 -0.012 0.000 1.071 91 F HN -0.029 nan 8.300 nan 0.000 0.578 92 I N 0.838 121.487 120.570 0.133 0.000 2.291 92 I HA 0.042 4.212 4.170 0.001 0.000 0.292 92 I C 0.958 177.097 176.117 0.036 0.000 1.064 92 I CA -0.328 61.020 61.300 0.080 0.000 1.269 92 I CB 0.469 38.508 38.000 0.066 0.000 1.418 92 I HN -0.024 nan 8.210 nan 0.000 0.485 93 D N 4.179 124.600 120.400 0.036 0.000 2.370 93 D HA -0.276 4.364 4.640 0.001 0.000 0.190 93 D C 1.646 177.943 176.300 -0.004 0.000 1.019 93 D CA 1.882 55.888 54.000 0.010 0.000 0.869 93 D CB -0.071 40.737 40.800 0.014 0.000 0.944 93 D HN 0.522 nan 8.370 nan 0.000 0.456 94 N N -0.176 118.532 118.700 0.013 0.000 2.069 94 N HA -0.112 4.629 4.740 0.001 0.000 0.191 94 N C 1.633 177.151 175.510 0.014 0.000 1.031 94 N CA 0.930 53.992 53.050 0.020 0.000 0.852 94 N CB -0.248 38.265 38.487 0.044 0.000 1.018 94 N HN 0.352 nan 8.380 nan 0.000 0.423 95 M N -0.083 119.523 119.600 0.009 0.000 2.628 95 M HA 0.096 4.576 4.480 0.001 0.000 0.232 95 M C 0.008 176.264 176.300 -0.074 0.000 1.128 95 M CA 0.515 55.803 55.300 -0.020 0.000 1.040 95 M CB -0.726 31.862 32.600 -0.020 0.000 1.608 95 M HN 0.041 nan 8.290 nan 0.000 0.507 96 N N 0.266 118.923 118.700 -0.073 0.000 2.268 96 N HA 0.044 4.784 4.740 0.001 0.000 0.204 96 N C -0.027 175.410 175.510 -0.122 0.000 1.124 96 N CA 0.137 53.125 53.050 -0.104 0.000 0.838 96 N CB 0.395 38.817 38.487 -0.108 0.000 0.994 96 N HN 0.254 nan 8.380 nan 0.000 0.489 97 Q N -0.340 119.402 119.800 -0.097 0.000 2.495 97 Q HA 0.280 4.621 4.340 0.001 0.000 0.283 97 Q C -0.487 175.473 176.000 -0.067 0.000 1.097 97 Q CA -0.864 54.847 55.803 -0.152 0.000 0.836 97 Q CB 0.226 28.897 28.738 -0.110 0.000 1.426 97 Q HN 0.127 nan 8.270 nan 0.000 0.459 98 Y N 0.559 120.840 120.300 -0.030 0.000 3.059 98 Y HA -0.009 4.542 4.550 0.001 0.000 0.343 98 Y C 1.202 177.093 175.900 -0.015 0.000 1.273 98 Y CA 0.955 59.031 58.100 -0.041 0.000 1.572 98 Y CB -0.096 38.320 38.460 -0.072 0.000 1.228 98 Y HN 0.458 nan 8.280 nan 0.000 0.610 99 T N 2.665 117.337 114.554 0.197 0.000 2.724 99 T HA 0.426 4.776 4.350 0.001 0.000 0.274 99 T C -0.479 174.262 174.700 0.068 0.000 0.984 99 T CA -1.132 61.067 62.100 0.165 0.000 1.024 99 T CB 0.931 69.979 68.868 0.300 0.000 1.320 99 T HN 0.665 nan 8.240 nan 0.000 0.555 100 R N 0.161 120.699 120.500 0.063 0.000 2.522 100 R HA 0.235 4.575 4.340 0.001 0.000 0.284 100 R C 1.531 177.802 176.300 -0.047 0.000 1.032 100 R CA 0.772 56.848 56.100 -0.040 0.000 1.049 100 R CB -0.037 30.255 30.300 -0.012 0.000 0.956 100 R HN 0.815 nan 8.270 nan 0.000 0.422 101 G N 3.659 112.324 108.800 -0.225 0.000 2.450 101 G HA2 -0.230 3.731 3.960 0.001 0.000 0.220 101 G HA3 -0.230 3.731 3.960 0.001 0.000 0.220 101 G C 0.610 175.631 174.900 0.202 0.000 1.130 101 G CA 0.423 45.443 45.100 -0.133 0.000 0.760 101 G HN 0.599 nan 8.290 nan 0.000 0.557 102 F N 0.776 120.797 119.950 0.118 0.000 2.695 102 F HA 0.459 4.987 4.527 0.001 0.000 0.303 102 F C 1.227 177.102 175.800 0.125 0.000 1.091 102 F CA -0.455 57.610 58.000 0.108 0.000 1.300 102 F CB 0.319 39.365 39.000 0.077 0.000 1.071 102 F HN 0.277 nan 8.300 nan 0.000 0.578 103 G N -0.799 108.179 108.800 0.298 0.000 2.306 103 G HA2 0.062 4.023 3.960 0.001 0.000 0.340 103 G HA3 0.062 4.023 3.960 0.001 0.000 0.340 103 G C -1.537 173.503 174.900 0.233 0.000 1.630 103 G CA -1.237 44.022 45.100 0.265 0.000 0.937 103 G HN 0.084 nan 8.290 nan 0.000 0.693 104 H N 3.371 122.518 119.070 0.128 0.000 3.125 104 H HA 0.252 4.809 4.556 0.001 0.000 0.310 104 H C -0.970 174.418 175.328 0.100 0.000 0.980 104 H CA -0.188 55.923 56.048 0.104 0.000 1.422 104 H CB 1.148 30.979 29.762 0.114 0.000 1.432 104 H HN 0.204 nan 8.280 nan 0.000 0.577 105 P HA -0.273 nan 4.420 nan 0.000 0.216 105 P C 1.074 178.349 177.300 -0.042 0.000 1.157 105 P CA 2.465 65.507 63.100 -0.097 0.000 0.880 105 P CB 0.026 31.650 31.700 -0.127 0.000 0.791 106 A N -0.897 121.852 122.820 -0.118 0.000 1.877 106 A HA -0.187 4.134 4.320 0.001 0.000 0.216 106 A C 2.178 179.885 177.584 0.204 0.000 1.186 106 A CA 1.626 53.747 52.037 0.140 0.000 0.620 106 A CB -1.672 17.459 19.000 0.220 0.000 0.822 106 A HN 0.158 nan 8.150 nan 0.000 0.443 107 L N 0.658 122.010 121.223 0.214 0.000 1.989 107 L HA -0.159 4.181 4.340 0.001 0.000 0.211 107 L C 2.627 179.483 176.870 -0.024 0.000 1.071 107 L CA 2.708 57.620 54.840 0.120 0.000 0.749 107 L CB -0.762 41.422 42.059 0.208 0.000 0.890 107 L HN 0.403 nan 8.230 nan 0.000 0.431 108 V N -2.394 117.540 119.914 0.034 0.000 2.407 108 V HA -0.253 3.868 4.120 0.001 0.000 0.248 108 V C 2.573 178.651 176.094 -0.026 0.000 1.055 108 V CA 2.010 64.301 62.300 -0.016 0.000 1.049 108 V CB -1.211 30.640 31.823 0.047 0.000 0.662 108 V HN 0.565 nan 8.190 nan 0.000 0.455 109 K N 1.128 121.555 120.400 0.046 0.000 2.020 109 K HA -0.224 4.096 4.320 0.001 0.000 0.212 109 K C 2.325 178.952 176.600 0.044 0.000 1.050 109 K CA 2.063 58.420 56.287 0.117 0.000 0.929 109 K CB -0.678 31.967 32.500 0.242 0.000 0.714 109 K HN 0.561 nan 8.250 nan 0.000 0.443 110 A N 1.625 124.358 122.820 -0.146 0.000 1.869 110 A HA -0.218 4.102 4.320 0.001 0.000 0.218 110 A C 2.266 179.522 177.584 -0.547 0.000 1.203 110 A CA 2.033 53.610 52.037 -0.767 0.000 0.638 110 A CB -0.947 17.495 19.000 -0.931 0.000 0.831 110 A HN 0.374 nan 8.150 nan 0.000 0.450 111 L N 0.305 121.224 121.223 -0.507 0.000 2.042 111 L HA -0.211 4.130 4.340 0.001 0.000 0.210 111 L C 2.998 179.793 176.870 -0.125 0.000 1.076 111 L CA 1.709 56.290 54.840 -0.433 0.000 0.749 111 L CB -0.607 41.130 42.059 -0.537 0.000 0.893 111 L HN 0.643 nan 8.230 nan 0.000 0.432 112 S N -1.099 114.543 115.700 -0.097 0.000 2.399 112 S HA -0.237 4.233 4.470 0.001 0.000 0.231 112 S C 2.169 176.778 174.600 0.014 0.000 1.022 112 S CA 1.081 59.270 58.200 -0.018 0.000 0.983 112 S CB -0.866 62.334 63.200 -0.000 0.000 0.803 112 S HN 0.563 nan 8.310 nan 0.000 0.480 113 C N 0.994 120.291 119.300 -0.005 0.000 2.610 113 C HA 0.131 4.592 4.460 0.001 0.000 0.285 113 C C 2.466 177.470 174.990 0.022 0.000 1.267 113 C CA 0.778 59.826 59.018 0.049 0.000 1.716 113 C CB -1.555 26.265 27.740 0.134 0.000 2.117 113 C HN 0.639 nan 8.230 nan 0.000 0.481 114 L N 0.245 121.431 121.223 -0.062 0.000 2.040 114 L HA -0.252 4.089 4.340 0.001 0.000 0.228 114 L C 2.254 179.047 176.870 -0.130 0.000 1.092 114 L CA 2.618 57.392 54.840 -0.110 0.000 0.805 114 L CB -1.096 40.788 42.059 -0.292 0.000 0.905 114 L HN 0.595 nan 8.230 nan 0.000 0.443 115 Y N -0.876 119.420 120.300 -0.007 0.000 2.395 115 Y HA 0.061 4.612 4.550 0.001 0.000 0.293 115 Y C 2.384 178.366 175.900 0.136 0.000 1.123 115 Y CA 0.899 59.060 58.100 0.101 0.000 1.227 115 Y CB -0.865 37.627 38.460 0.055 0.000 1.012 115 Y HN 0.274 nan 8.280 nan 0.000 0.552 116 G N 0.120 109.009 108.800 0.150 0.000 2.440 116 G HA2 -0.281 3.679 3.960 0.001 0.000 0.218 116 G HA3 -0.281 3.679 3.960 0.001 0.000 0.218 116 G C 1.672 176.643 174.900 0.117 0.000 1.154 116 G CA 0.983 46.138 45.100 0.091 0.000 0.767 116 G HN 0.282 nan 8.290 nan 0.000 0.552 117 K N -0.255 120.208 120.400 0.104 0.000 2.032 117 K HA -0.008 4.312 4.320 0.001 0.000 0.209 117 K C 2.408 179.074 176.600 0.111 0.000 1.048 117 K CA 1.300 57.645 56.287 0.097 0.000 0.927 117 K CB -0.230 32.325 32.500 0.091 0.000 0.712 117 K HN 0.353 nan 8.250 nan 0.000 0.441 118 I N -0.897 119.754 120.570 0.134 0.000 2.500 118 I HA -0.199 3.972 4.170 0.001 0.000 0.252 118 I C 1.413 177.614 176.117 0.140 0.000 1.142 118 I CA 0.983 62.346 61.300 0.106 0.000 1.451 118 I CB 0.031 38.053 38.000 0.037 0.000 1.093 118 I HN 0.184 nan 8.210 nan 0.000 0.430 119 Y N 0.237 120.585 120.300 0.080 0.000 2.523 119 Y HA 0.050 4.601 4.550 0.001 0.000 0.279 119 Y C 0.932 176.840 175.900 0.015 0.000 1.139 119 Y CA 0.061 58.202 58.100 0.068 0.000 1.296 119 Y CB 0.244 38.749 38.460 0.076 0.000 1.045 119 Y HN 0.121 nan 8.280 nan 0.000 0.538 120 Q N 0.486 120.382 119.800 0.160 0.000 2.493 120 Q HA -0.234 4.107 4.340 0.001 0.000 0.278 120 Q C -0.750 175.276 176.000 0.042 0.000 1.216 120 Q CA 0.591 56.441 55.803 0.078 0.000 0.875 120 Q CB -1.093 27.679 28.738 0.056 0.000 1.262 120 Q HN 0.612 nan 8.270 nan 0.000 0.468 121 R N -1.917 118.603 120.500 0.032 0.000 2.690 121 R HA 0.419 4.760 4.340 0.001 0.000 0.269 121 R C -1.272 174.972 176.300 -0.092 0.000 1.037 121 R CA -0.942 55.118 56.100 -0.066 0.000 0.877 121 R CB 0.771 30.973 30.300 -0.165 0.000 1.255 121 R HN 0.069 nan 8.270 nan 0.000 0.467 122 Q N 1.736 121.464 119.800 -0.119 0.000 2.289 122 Q HA 0.214 4.554 4.340 0.001 0.000 0.273 122 Q C -0.559 175.344 176.000 -0.161 0.000 1.029 122 Q CA -0.075 55.667 55.803 -0.102 0.000 0.896 122 Q CB 0.635 29.329 28.738 -0.073 0.000 1.182 122 Q HN 0.453 nan 8.270 nan 0.000 0.385 123 I N 3.768 124.275 120.570 -0.105 0.000 2.362 123 I HA 0.127 4.297 4.170 0.001 0.000 0.289 123 I C 0.013 176.113 176.117 -0.028 0.000 0.994 123 I CA -0.527 60.715 61.300 -0.096 0.000 1.158 123 I CB 1.437 39.383 38.000 -0.091 0.000 1.315 123 I HN 0.651 nan 8.210 nan 0.000 0.451 124 D N 9.041 129.442 120.400 0.001 0.000 2.389 124 D HA 0.036 4.677 4.640 0.001 0.000 0.263 124 D C -1.493 174.824 176.300 0.028 0.000 1.255 124 D CA -1.120 52.894 54.000 0.024 0.000 0.914 124 D CB 1.647 42.475 40.800 0.047 0.000 1.116 124 D HN 0.235 nan 8.370 nan 0.000 0.502 125 P HA -0.183 nan 4.420 nan 0.000 0.217 125 P C 0.717 178.048 177.300 0.051 0.000 1.158 125 P CA 1.404 64.524 63.100 0.034 0.000 0.887 125 P CB 0.379 32.106 31.700 0.044 0.000 0.792 126 N N -2.396 116.341 118.700 0.062 0.000 2.463 126 N HA -0.003 4.738 4.740 0.001 0.000 0.183 126 N C 1.298 176.862 175.510 0.089 0.000 1.064 126 N CA 0.609 53.716 53.050 0.094 0.000 0.879 126 N CB 0.066 38.610 38.487 0.095 0.000 1.148 126 N HN 0.196 nan 8.380 nan 0.000 0.451 127 E N 0.938 121.174 120.200 0.060 0.000 2.364 127 E HA 0.079 4.430 4.350 0.001 0.000 0.196 127 E C 0.652 177.261 176.600 0.015 0.000 0.990 127 E CA 0.435 56.857 56.400 0.036 0.000 0.886 127 E CB 0.280 30.005 29.700 0.042 0.000 0.866 127 E HN 0.438 nan 8.360 nan 0.000 0.493 128 E N 0.313 120.537 120.200 0.040 0.000 2.481 128 E HA 0.239 4.590 4.350 0.001 0.000 0.198 128 E C 0.235 176.836 176.600 0.001 0.000 1.027 128 E CA 0.019 56.450 56.400 0.051 0.000 0.900 128 E CB 0.868 30.667 29.700 0.165 0.000 0.993 128 E HN 0.099 nan 8.360 nan 0.000 0.482 129 I N 1.505 122.076 120.570 0.003 0.000 2.608 129 I HA 0.318 4.489 4.170 0.001 0.000 0.295 129 I C -1.217 174.916 176.117 0.027 0.000 1.049 129 I CA -1.284 60.020 61.300 0.007 0.000 1.063 129 I CB 2.071 40.076 38.000 0.007 0.000 1.248 129 I HN -0.095 nan 8.210 nan 0.000 0.424 130 L N 7.303 128.553 121.223 0.045 0.000 2.406 130 L HA 0.608 4.949 4.340 0.001 0.000 0.272 130 L C -1.119 175.862 176.870 0.186 0.000 0.980 130 L CA -0.423 54.459 54.840 0.070 0.000 0.831 130 L CB 1.786 43.811 42.059 -0.058 0.000 1.253 130 L HN 0.306 nan 8.230 nan 0.000 0.406 131 V N 4.602 124.669 119.914 0.256 0.000 2.539 131 V HA 0.959 5.080 4.120 0.001 0.000 0.292 131 V C 0.422 176.721 176.094 0.342 0.000 1.045 131 V CA 0.262 62.761 62.300 0.331 0.000 0.945 131 V CB 0.949 32.979 31.823 0.345 0.000 0.993 131 V HN 1.084 nan 8.190 nan 0.000 0.464 132 A N 3.269 126.290 122.820 0.336 0.000 2.602 132 A HA 0.769 5.090 4.320 0.001 0.000 0.290 132 A C -0.910 176.812 177.584 0.231 0.000 1.114 132 A CA -0.635 51.639 52.037 0.395 0.000 0.683 132 A CB 1.576 20.778 19.000 0.336 0.000 1.281 132 A HN 0.643 nan 8.150 nan 0.000 0.416 133 V N 2.223 122.172 119.914 0.059 0.000 2.400 133 V HA 0.445 4.565 4.120 0.001 0.000 0.263 133 V C 1.381 177.472 176.094 -0.006 0.000 1.026 133 V CA 0.902 63.150 62.300 -0.087 0.000 1.077 133 V CB -1.062 30.541 31.823 -0.367 0.000 1.054 133 V HN 2.225 nan 8.190 nan 0.000 0.477 134 G N 4.698 113.517 108.800 0.032 0.000 2.726 134 G HA2 -0.041 3.919 3.960 0.001 0.000 0.261 134 G HA3 -0.041 3.919 3.960 0.001 0.000 0.261 134 G C 0.909 175.802 174.900 -0.013 0.000 1.352 134 G CA 0.145 45.256 45.100 0.018 0.000 0.906 134 G HN 1.454 nan 8.290 nan 0.000 0.566 135 A N -1.512 121.275 122.820 -0.056 0.000 2.119 135 A HA 0.228 4.548 4.320 0.001 0.000 0.217 135 A C 1.961 179.570 177.584 0.042 0.000 1.153 135 A CA 2.109 54.090 52.037 -0.094 0.000 0.692 135 A CB -0.277 18.606 19.000 -0.194 0.000 0.799 135 A HN 0.775 nan 8.150 nan 0.000 0.458 136 Y N -0.002 120.296 120.300 -0.003 0.000 2.114 136 Y HA -0.128 4.423 4.550 0.001 0.000 0.284 136 Y C 2.722 178.679 175.900 0.095 0.000 1.143 136 Y CA 1.627 59.773 58.100 0.076 0.000 1.135 136 Y CB -0.444 38.048 38.460 0.053 0.000 0.980 136 Y HN 0.368 nan 8.280 nan 0.000 0.499 137 G N -1.621 107.318 108.800 0.230 0.000 2.408 137 G HA2 -0.206 3.755 3.960 0.001 0.000 0.217 137 G HA3 -0.206 3.755 3.960 0.001 0.000 0.217 137 G C 1.837 176.890 174.900 0.255 0.000 1.150 137 G CA 1.022 46.248 45.100 0.210 0.000 0.776 137 G HN 0.345 nan 8.290 nan 0.000 0.542 138 S N 0.641 116.426 115.700 0.143 0.000 2.359 138 S HA -0.098 4.372 4.470 0.001 0.000 0.224 138 S C 2.296 176.931 174.600 0.059 0.000 1.035 138 S CA 1.087 59.333 58.200 0.077 0.000 1.018 138 S CB -0.337 62.848 63.200 -0.025 0.000 0.876 138 S HN 0.297 nan 8.310 nan 0.000 0.448 139 L N 0.004 121.259 121.223 0.053 0.000 1.989 139 L HA -0.133 4.208 4.340 0.001 0.000 0.211 139 L C 2.229 179.143 176.870 0.073 0.000 1.071 139 L CA 1.615 56.462 54.840 0.011 0.000 0.749 139 L CB -0.542 41.523 42.059 0.010 0.000 0.890 139 L HN 0.253 nan 8.230 nan 0.000 0.431 140 F N 1.064 121.032 119.950 0.029 0.000 2.091 140 F HA -0.325 4.203 4.527 0.001 0.000 0.299 140 F C 2.431 178.252 175.800 0.034 0.000 1.103 140 F CA 1.861 59.892 58.000 0.051 0.000 1.228 140 F CB -0.313 38.752 39.000 0.109 0.000 0.984 140 F HN 0.166 nan 8.300 nan 0.000 0.477 141 N N 0.329 119.130 118.700 0.168 0.000 2.069 141 N HA -0.182 4.559 4.740 0.001 0.000 0.191 141 N C 2.018 177.455 175.510 -0.121 0.000 1.031 141 N CA 1.810 54.867 53.050 0.011 0.000 0.852 141 N CB -0.851 37.685 38.487 0.081 0.000 1.018 141 N HN 0.314 nan 8.380 nan 0.000 0.423 142 S N 1.169 116.809 115.700 -0.101 0.000 2.348 142 S HA -0.040 4.430 4.470 0.001 0.000 0.221 142 S C 2.203 176.700 174.600 -0.172 0.000 1.033 142 S CA 0.809 58.928 58.200 -0.135 0.000 1.010 142 S CB -0.336 62.781 63.200 -0.137 0.000 0.891 142 S HN 0.227 nan 8.310 nan 0.000 0.442 143 I N 1.584 122.039 120.570 -0.193 0.000 2.252 143 I HA -0.168 4.003 4.170 0.001 0.000 0.245 143 I C 2.796 178.758 176.117 -0.258 0.000 1.102 143 I CA 0.991 62.164 61.300 -0.211 0.000 1.385 143 I CB -0.273 37.615 38.000 -0.187 0.000 1.064 143 I HN 0.183 nan 8.210 nan 0.000 0.414 144 Q N 0.322 119.893 119.800 -0.382 0.000 2.061 144 Q HA -0.158 4.182 4.340 0.001 0.000 0.204 144 Q C 2.343 178.194 176.000 -0.248 0.000 0.984 144 Q CA 1.979 57.540 55.803 -0.404 0.000 0.846 144 Q CB -0.859 27.481 28.738 -0.665 0.000 0.902 144 Q HN 0.596 nan 8.270 nan 0.000 0.421 145 G N -0.395 108.281 108.800 -0.206 0.000 2.511 145 G HA2 -0.015 3.946 3.960 0.001 0.000 0.217 145 G HA3 -0.015 3.946 3.960 0.001 0.000 0.217 145 G C 1.230 176.031 174.900 -0.165 0.000 1.133 145 G CA 0.267 45.279 45.100 -0.147 0.000 0.792 145 G HN 0.294 nan 8.290 nan 0.000 0.539 146 L N -0.168 120.954 121.223 -0.168 0.000 2.858 146 L HA 0.369 4.710 4.340 0.001 0.000 0.251 146 L C -0.382 176.392 176.870 -0.160 0.000 1.149 146 L CA -0.063 54.675 54.840 -0.169 0.000 0.955 146 L CB 1.233 43.206 42.059 -0.143 0.000 1.289 146 L HN -0.146 nan 8.230 nan 0.000 0.542 147 V N 0.297 120.116 119.914 -0.159 0.000 2.443 147 V HA 0.372 4.493 4.120 0.001 0.000 0.293 147 V C -0.836 175.179 176.094 -0.132 0.000 1.021 147 V CA -0.708 61.505 62.300 -0.144 0.000 0.848 147 V CB 2.164 33.895 31.823 -0.153 0.000 0.998 147 V HN 0.028 nan 8.190 nan 0.000 0.424 148 D N 5.114 125.445 120.400 -0.115 0.000 2.268 148 D HA 0.397 5.037 4.640 0.001 0.000 0.249 148 D C -2.589 173.660 176.300 -0.086 0.000 1.008 148 D CA -1.485 52.456 54.000 -0.097 0.000 0.939 148 D CB 2.345 43.092 40.800 -0.088 0.000 1.170 148 D HN 0.237 nan 8.370 nan 0.000 0.468 149 P HA 0.068 nan 4.420 nan 0.000 0.261 149 P C 0.631 177.894 177.300 -0.060 0.000 1.183 149 P CA 0.867 63.930 63.100 -0.062 0.000 0.761 149 P CB 0.454 32.124 31.700 -0.050 0.000 0.785 150 G N 2.095 110.857 108.800 -0.064 0.000 2.213 150 G HA2 -0.172 3.788 3.960 0.001 0.000 0.226 150 G HA3 -0.172 3.788 3.960 0.001 0.000 0.226 150 G C 0.128 174.985 174.900 -0.071 0.000 0.992 150 G CA -0.413 44.651 45.100 -0.059 0.000 0.632 150 G HN 0.468 nan 8.290 nan 0.000 0.511 151 D N 1.256 121.605 120.400 -0.084 0.000 2.362 151 D HA 0.481 5.122 4.640 0.001 0.000 0.242 151 D C 0.488 176.715 176.300 -0.122 0.000 1.132 151 D CA 0.267 54.208 54.000 -0.098 0.000 0.907 151 D CB 0.746 41.481 40.800 -0.107 0.000 1.195 151 D HN 0.480 nan 8.370 nan 0.000 0.429 152 E N 0.166 120.281 120.200 -0.142 0.000 2.166 152 E HA 0.428 4.779 4.350 0.001 0.000 0.275 152 E C -0.910 175.549 176.600 -0.234 0.000 0.941 152 E CA -0.749 55.538 56.400 -0.189 0.000 0.784 152 E CB 1.866 31.453 29.700 -0.189 0.000 1.115 152 E HN 0.044 nan 8.360 nan 0.000 0.399 153 V N 4.855 124.609 119.914 -0.266 0.000 2.448 153 V HA 0.367 4.488 4.120 0.001 0.000 0.295 153 V C -0.035 175.849 176.094 -0.350 0.000 1.025 153 V CA -0.711 61.413 62.300 -0.294 0.000 0.859 153 V CB 1.341 33.007 31.823 -0.261 0.000 0.988 153 V HN 0.613 nan 8.190 nan 0.000 0.431 154 I N 5.565 125.914 120.570 -0.367 0.000 2.396 154 I HA 0.472 4.643 4.170 0.001 0.000 0.292 154 I C -0.463 175.511 176.117 -0.237 0.000 0.999 154 I CA -0.149 60.942 61.300 -0.349 0.000 1.310 154 I CB 1.120 38.851 38.000 -0.449 0.000 1.404 154 I HN 0.423 nan 8.210 nan 0.000 0.496 155 I N 6.300 126.779 120.570 -0.151 0.000 2.534 155 I HA 0.323 4.494 4.170 0.001 0.000 0.288 155 I C -0.460 175.803 176.117 0.243 0.000 1.077 155 I CA -0.544 60.768 61.300 0.020 0.000 1.051 155 I CB 2.043 40.002 38.000 -0.068 0.000 1.234 155 I HN 0.455 nan 8.210 nan 0.000 0.425 156 M N 6.137 125.916 119.600 0.298 0.000 2.162 156 M HA 0.279 4.760 4.480 0.001 0.000 0.356 156 M C -0.253 176.355 176.300 0.514 0.000 1.303 156 M CA -0.382 55.146 55.300 0.380 0.000 1.116 156 M CB 1.492 34.305 32.600 0.355 0.000 1.632 156 M HN 0.425 nan 8.290 nan 0.000 0.469 157 V N 5.794 125.983 119.914 0.458 0.000 2.539 157 V HA 0.586 4.707 4.120 0.001 0.000 0.292 157 V C -2.581 173.528 176.094 0.024 0.000 1.045 157 V CA -2.048 60.432 62.300 0.301 0.000 0.945 157 V CB 1.591 33.568 31.823 0.257 0.000 0.993 157 V HN 0.606 nan 8.190 nan 0.000 0.464 158 P HA 0.335 nan 4.420 nan 0.000 0.272 158 P C -1.206 176.084 177.300 -0.017 0.000 1.223 158 P CA 0.166 63.031 63.100 -0.392 0.000 0.784 158 P CB 0.251 31.627 31.700 -0.540 0.000 0.923 159 F N -0.657 119.332 119.950 0.066 0.000 2.598 159 F HA 0.556 5.083 4.527 0.001 0.000 0.327 159 F C -0.460 175.272 175.800 -0.112 0.000 1.057 159 F CA -1.731 56.266 58.000 -0.005 0.000 0.957 159 F CB 0.455 39.528 39.000 0.121 0.000 1.278 159 F HN 0.189 nan 8.300 nan 0.000 0.484 160 Y N 3.477 123.535 120.300 -0.403 0.000 2.721 160 Y HA 0.022 4.573 4.550 0.001 0.000 0.329 160 Y C 1.727 177.545 175.900 -0.138 0.000 1.211 160 Y CA -0.371 57.498 58.100 -0.386 0.000 1.512 160 Y CB 0.372 38.393 38.460 -0.731 0.000 1.249 160 Y HN 0.765 nan 8.280 nan 0.000 0.549 161 D N 3.068 123.207 120.400 -0.436 0.000 2.264 161 D HA -0.204 4.437 4.640 0.001 0.000 0.208 161 D C 2.029 178.286 176.300 -0.073 0.000 0.966 161 D CA 1.232 55.159 54.000 -0.122 0.000 0.864 161 D CB -0.968 39.621 40.800 -0.352 0.000 0.933 161 D HN 0.639 nan 8.370 nan 0.000 0.499 162 C N -0.127 119.024 119.300 -0.249 0.000 2.432 162 C HA -0.087 4.374 4.460 0.001 0.000 0.282 162 C C 2.485 177.590 174.990 0.193 0.000 1.388 162 C CA -0.188 58.841 59.018 0.018 0.000 1.777 162 C CB -1.565 26.128 27.740 -0.080 0.000 1.882 162 C HN 0.126 nan 8.230 nan 0.000 0.520 163 Y N 2.413 122.743 120.300 0.050 0.000 2.030 163 Y HA -0.193 4.358 4.550 0.001 0.000 0.274 163 Y C 2.628 178.453 175.900 -0.125 0.000 1.153 163 Y CA 1.927 59.997 58.100 -0.050 0.000 1.115 163 Y CB -1.630 36.774 38.460 -0.093 0.000 0.969 163 Y HN 0.555 nan 8.280 nan 0.000 0.488 164 E N 0.713 120.888 120.200 -0.042 0.000 2.048 164 E HA -0.205 4.146 4.350 0.001 0.000 0.202 164 E C -0.628 175.988 176.600 0.027 0.000 1.021 164 E CA 2.256 58.621 56.400 -0.058 0.000 0.825 164 E CB -1.015 28.700 29.700 0.026 0.000 0.756 164 E HN 0.279 nan 8.360 nan 0.000 0.454 165 P HA -0.154 nan 4.420 nan 0.000 0.217 165 P C 1.639 178.990 177.300 0.085 0.000 1.151 165 P CA 1.500 64.647 63.100 0.079 0.000 0.828 165 P CB -0.179 31.579 31.700 0.096 0.000 0.788 166 M N 0.053 119.720 119.600 0.111 0.000 2.073 166 M HA -0.141 4.339 4.480 0.001 0.000 0.258 166 M C 2.387 178.702 176.300 0.026 0.000 1.070 166 M CA 2.215 57.585 55.300 0.117 0.000 1.103 166 M CB -1.185 31.498 32.600 0.138 0.000 1.321 166 M HN -0.125 nan 8.290 nan 0.000 0.405 167 V N -0.176 119.726 119.914 -0.021 0.000 2.515 167 V HA -0.227 3.893 4.120 0.001 0.000 0.250 167 V C 2.118 178.172 176.094 -0.067 0.000 1.058 167 V CA 1.653 63.907 62.300 -0.077 0.000 1.064 167 V CB -0.672 31.070 31.823 -0.135 0.000 0.675 167 V HN 0.429 nan 8.190 nan 0.000 0.461 168 R N -0.327 120.152 120.500 -0.035 0.000 2.075 168 R HA -0.051 4.289 4.340 0.001 0.000 0.232 168 R C 2.447 178.742 176.300 -0.009 0.000 1.126 168 R CA 1.994 58.081 56.100 -0.021 0.000 0.963 168 R CB -0.586 29.717 30.300 0.006 0.000 0.858 168 R HN 0.540 nan 8.270 nan 0.000 0.435 169 M N 0.847 120.456 119.600 0.015 0.000 2.149 169 M HA -0.097 4.383 4.480 0.001 0.000 0.261 169 M C 1.621 177.917 176.300 -0.007 0.000 1.064 169 M CA 1.706 57.022 55.300 0.027 0.000 1.102 169 M CB -0.013 32.635 32.600 0.078 0.000 1.369 169 M HN 0.199 nan 8.290 nan 0.000 0.408 170 A N -0.223 122.572 122.820 -0.041 0.000 2.265 170 A HA 0.348 4.669 4.320 0.001 0.000 0.213 170 A C 1.408 178.953 177.584 -0.066 0.000 1.255 170 A CA 0.604 52.597 52.037 -0.073 0.000 0.862 170 A CB -1.412 17.520 19.000 -0.114 0.000 0.852 170 A HN 0.814 nan 8.150 nan 0.000 0.484 171 G N -1.990 106.782 108.800 -0.047 0.000 2.166 171 G HA2 0.002 3.963 3.960 0.001 0.000 0.260 171 G HA3 0.002 3.963 3.960 0.001 0.000 0.260 171 G C 0.458 175.321 174.900 -0.061 0.000 0.986 171 G CA 0.578 45.651 45.100 -0.046 0.000 0.683 171 G HN 1.651 nan 8.290 nan 0.000 0.527 172 A N -0.856 121.917 122.820 -0.078 0.000 2.279 172 A HA 0.845 5.166 4.320 0.001 0.000 0.303 172 A C 0.495 178.012 177.584 -0.112 0.000 1.108 172 A CA 0.190 52.167 52.037 -0.101 0.000 0.830 172 A CB 1.646 20.572 19.000 -0.124 0.000 1.106 172 A HN 1.796 nan 8.150 nan 0.000 0.493 173 V N 0.828 120.663 119.914 -0.132 0.000 2.350 173 V HA 0.612 4.733 4.120 0.001 0.000 0.276 173 V C -2.773 173.174 176.094 -0.244 0.000 1.028 173 V CA -2.225 59.984 62.300 -0.152 0.000 0.860 173 V CB 1.055 32.808 31.823 -0.117 0.000 0.990 173 V HN 0.662 nan 8.190 nan 0.000 0.453 174 P HA 0.324 nan 4.420 nan 0.000 0.281 174 P C -0.762 176.088 177.300 -0.750 0.000 1.252 174 P CA -0.110 62.635 63.100 -0.592 0.000 0.778 174 P CB 1.409 32.636 31.700 -0.788 0.000 0.895 175 V N 5.381 124.905 119.914 -0.650 0.000 2.334 175 V HA 0.329 4.449 4.120 0.001 0.000 0.281 175 V C -0.394 175.450 176.094 -0.416 0.000 1.016 175 V CA -0.362 61.663 62.300 -0.457 0.000 0.832 175 V CB -0.052 31.600 31.823 -0.285 0.000 0.999 175 V HN 0.341 nan 8.190 nan 0.000 0.439 176 F N 5.553 125.509 119.950 0.009 0.000 2.385 176 F HA 0.618 5.146 4.527 0.001 0.000 0.336 176 F C 0.202 176.061 175.800 0.100 0.000 1.100 176 F CA -0.772 57.273 58.000 0.076 0.000 1.116 176 F CB 1.302 40.388 39.000 0.142 0.000 1.166 176 F HN 0.283 nan 8.300 nan 0.000 0.511 177 I N 5.478 126.260 120.570 0.353 0.000 2.548 177 I HA 0.400 4.570 4.170 0.001 0.000 0.287 177 I C -2.709 173.601 176.117 0.322 0.000 1.103 177 I CA -2.521 58.942 61.300 0.271 0.000 1.049 177 I CB 2.277 40.383 38.000 0.178 0.000 1.232 177 I HN 0.263 nan 8.210 nan 0.000 0.429 178 P HA 0.192 nan 4.420 nan 0.000 0.271 178 P C -0.730 176.825 177.300 0.425 0.000 1.216 178 P CA -0.086 63.262 63.100 0.413 0.000 0.776 178 P CB 0.763 32.679 31.700 0.361 0.000 0.881 179 L N 3.926 125.448 121.223 0.499 0.000 2.410 179 L HA 0.193 4.533 4.340 0.001 0.000 0.273 179 L C 1.253 178.529 176.870 0.676 0.000 1.152 179 L CA 0.251 55.414 54.840 0.538 0.000 0.855 179 L CB 0.004 42.339 42.059 0.459 0.000 1.129 179 L HN 0.306 nan 8.230 nan 0.000 0.463 180 R N 1.512 122.269 120.500 0.429 0.000 2.637 180 R HA 0.406 4.746 4.340 0.001 0.000 0.291 180 R C -0.510 175.740 176.300 -0.084 0.000 0.963 180 R CA -0.619 55.587 56.100 0.176 0.000 0.901 180 R CB 2.037 32.390 30.300 0.087 0.000 1.160 180 R HN 0.655 nan 8.270 nan 0.000 0.457 181 S N 2.302 117.694 115.700 -0.514 0.000 2.584 181 S HA 0.251 4.722 4.470 0.001 0.000 0.273 181 S C -0.051 174.339 174.600 -0.349 0.000 1.311 181 S CA -0.915 56.862 58.200 -0.705 0.000 1.034 181 S CB 1.076 63.627 63.200 -1.081 0.000 0.939 181 S HN 0.569 nan 8.310 nan 0.000 0.513 182 K N 0.211 120.450 120.400 -0.269 0.000 2.267 182 K HA 0.641 4.961 4.320 0.001 0.000 0.236 182 K C -3.105 173.382 176.600 -0.189 0.000 1.030 182 K CA -2.093 54.084 56.287 -0.184 0.000 0.930 182 K CB -0.659 31.769 32.500 -0.120 0.000 1.182 182 K HN 0.239 nan 8.250 nan 0.000 0.474 183 P HA 0.099 nan 4.420 nan 0.000 0.272 183 P C -0.794 176.434 177.300 -0.120 0.000 1.230 183 P CA -0.208 62.799 63.100 -0.154 0.000 0.788 183 P CB 0.441 32.070 31.700 -0.118 0.000 0.949 184 T N 0.725 115.196 114.554 -0.138 0.000 2.913 184 T HA 0.061 4.411 4.350 0.001 0.000 0.287 184 T C 1.131 175.805 174.700 -0.043 0.000 1.008 184 T CA -0.102 61.954 62.100 -0.074 0.000 1.067 184 T CB 0.399 69.191 68.868 -0.126 0.000 0.996 184 T HN 0.528 nan 8.240 nan 0.000 0.513 185 D N 0.603 121.001 120.400 -0.003 0.000 2.228 185 D HA -0.040 4.601 4.640 0.001 0.000 0.203 185 D C 1.480 177.768 176.300 -0.019 0.000 0.988 185 D CA 1.583 55.580 54.000 -0.006 0.000 0.864 185 D CB -0.278 40.531 40.800 0.014 0.000 0.928 185 D HN 0.856 nan 8.370 nan 0.000 0.469 186 G N -0.987 107.798 108.800 -0.026 0.000 2.380 186 G HA2 -0.231 3.730 3.960 0.001 0.000 0.197 186 G HA3 -0.231 3.730 3.960 0.001 0.000 0.197 186 G C 1.054 175.940 174.900 -0.024 0.000 1.001 186 G CA 0.259 45.337 45.100 -0.037 0.000 0.668 186 G HN 0.320 nan 8.290 nan 0.000 0.483 187 M N -0.543 119.055 119.600 -0.004 0.000 2.379 187 M HA 0.477 4.958 4.480 0.001 0.000 0.265 187 M C 0.411 176.726 176.300 0.025 0.000 1.095 187 M CA 0.632 55.934 55.300 0.003 0.000 1.075 187 M CB 1.003 33.605 32.600 0.004 0.000 1.443 187 M HN 0.010 nan 8.290 nan 0.000 0.519 188 K N -0.529 119.902 120.400 0.051 0.000 2.535 188 K HA 0.229 4.550 4.320 0.001 0.000 0.251 188 K C -2.205 174.512 176.600 0.196 0.000 0.942 188 K CA -0.329 56.019 56.287 0.102 0.000 0.798 188 K CB 1.595 34.146 32.500 0.085 0.000 1.267 188 K HN -0.021 nan 8.250 nan 0.000 0.434 189 W N 4.587 125.895 121.300 0.012 0.000 2.331 189 W HA 0.420 5.081 4.660 0.001 0.000 0.306 189 W C -0.560 176.004 176.519 0.074 0.000 1.162 189 W CA -0.413 56.955 57.345 0.039 0.000 1.232 189 W CB 0.704 30.194 29.460 0.049 0.000 1.235 189 W HN 0.585 nan 8.180 nan 0.000 0.479 190 T N 1.220 115.952 114.554 0.297 0.000 2.906 190 T HA 0.298 4.648 4.350 0.001 0.000 0.295 190 T C 0.876 175.651 174.700 0.125 0.000 1.061 190 T CA -0.508 61.666 62.100 0.123 0.000 1.000 190 T CB 1.776 70.731 68.868 0.144 0.000 1.103 190 T HN 0.198 nan 8.240 nan 0.000 0.486 191 S N 1.282 117.006 115.700 0.040 0.000 2.399 191 S HA -0.160 4.310 4.470 0.001 0.000 0.235 191 S C 2.034 176.719 174.600 0.142 0.000 1.063 191 S CA 2.043 60.275 58.200 0.053 0.000 1.070 191 S CB -0.767 62.395 63.200 -0.065 0.000 0.904 191 S HN 0.796 nan 8.310 nan 0.000 0.456 192 S N 0.738 116.500 115.700 0.103 0.000 2.595 192 S HA -0.022 4.449 4.470 0.001 0.000 0.235 192 S C 0.669 175.339 174.600 0.116 0.000 0.974 192 S CA 0.430 58.693 58.200 0.105 0.000 0.942 192 S CB -0.159 63.138 63.200 0.161 0.000 0.766 192 S HN 0.447 nan 8.310 nan 0.000 0.536 193 D N -0.645 119.863 120.400 0.180 0.000 2.402 193 D HA 0.115 4.756 4.640 0.001 0.000 0.216 193 D C -0.674 175.605 176.300 -0.035 0.000 1.128 193 D CA 0.074 54.134 54.000 0.099 0.000 0.833 193 D CB 0.309 41.229 40.800 0.199 0.000 0.971 193 D HN 0.381 nan 8.370 nan 0.000 0.503 194 W N 0.892 122.214 121.300 0.037 0.000 2.471 194 W HA 0.387 5.048 4.660 0.001 0.000 0.318 194 W C 0.568 177.051 176.519 -0.061 0.000 1.034 194 W CA -0.345 57.011 57.345 0.019 0.000 1.224 194 W CB 1.863 31.312 29.460 -0.018 0.000 1.335 194 W HN -0.384 nan 8.180 nan 0.000 0.452 195 T N 2.616 117.246 114.554 0.126 0.000 2.654 195 T HA 0.721 5.072 4.350 0.001 0.000 0.289 195 T C -1.415 173.338 174.700 0.089 0.000 1.062 195 T CA -0.617 61.470 62.100 -0.023 0.000 1.041 195 T CB 0.506 69.272 68.868 -0.169 0.000 1.417 195 T HN 0.181 nan 8.240 nan 0.000 0.510 196 F N 0.282 120.295 119.950 0.104 0.000 2.575 196 F HA 0.774 5.302 4.527 0.001 0.000 0.330 196 F C -0.340 175.523 175.800 0.105 0.000 1.056 196 F CA -1.239 56.844 58.000 0.140 0.000 0.964 196 F CB 0.731 39.847 39.000 0.192 0.000 1.258 196 F HN 0.337 nan 8.300 nan 0.000 0.484 197 D N 2.075 122.675 120.400 0.335 0.000 2.339 197 D HA 0.327 4.967 4.640 0.001 0.000 0.241 197 D C -1.903 174.601 176.300 0.339 0.000 1.183 197 D CA -2.474 51.660 54.000 0.223 0.000 0.859 197 D CB 1.621 42.519 40.800 0.163 0.000 1.067 197 D HN 0.211 nan 8.370 nan 0.000 0.484 198 P HA -0.148 nan 4.420 nan 0.000 0.215 198 P C 1.009 178.429 177.300 0.200 0.000 1.157 198 P CA 1.516 64.785 63.100 0.282 0.000 0.874 198 P CB 0.282 32.079 31.700 0.162 0.000 0.790 199 R N -0.473 120.110 120.500 0.138 0.000 2.115 199 R HA -0.109 4.231 4.340 0.001 0.000 0.230 199 R C 2.392 178.762 176.300 0.117 0.000 1.111 199 R CA 1.188 57.351 56.100 0.106 0.000 0.976 199 R CB -0.696 29.650 30.300 0.076 0.000 0.870 199 R HN 0.351 nan 8.270 nan 0.000 0.445 200 E N 1.214 121.496 120.200 0.136 0.000 2.051 200 E HA -0.220 4.131 4.350 0.001 0.000 0.192 200 E C 1.906 178.595 176.600 0.148 0.000 0.991 200 E CA 0.981 57.461 56.400 0.133 0.000 0.799 200 E CB -0.026 29.759 29.700 0.141 0.000 0.748 200 E HN 0.169 nan 8.360 nan 0.000 0.449 201 L N 1.823 123.157 121.223 0.186 0.000 2.012 201 L HA -0.227 4.114 4.340 0.001 0.000 0.210 201 L C 2.365 179.370 176.870 0.226 0.000 1.073 201 L CA 2.536 57.483 54.840 0.179 0.000 0.748 201 L CB -0.690 41.457 42.059 0.147 0.000 0.891 201 L HN 0.295 nan 8.230 nan 0.000 0.431 202 E N -0.578 119.722 120.200 0.167 0.000 2.086 202 E HA -0.287 4.064 4.350 0.001 0.000 0.200 202 E C 1.945 178.642 176.600 0.162 0.000 1.012 202 E CA 1.757 58.227 56.400 0.118 0.000 0.812 202 E CB -0.294 29.453 29.700 0.079 0.000 0.743 202 E HN 0.683 nan 8.360 nan 0.000 0.453 203 S N -0.834 114.946 115.700 0.134 0.000 2.660 203 S HA 0.047 4.517 4.470 0.001 0.000 0.223 203 S C 1.280 175.934 174.600 0.091 0.000 0.963 203 S CA 0.073 58.335 58.200 0.104 0.000 0.932 203 S CB 0.157 63.406 63.200 0.082 0.000 0.775 203 S HN 0.115 nan 8.310 nan 0.000 0.531 204 K N 0.253 120.727 120.400 0.122 0.000 2.334 204 K HA 0.296 4.617 4.320 0.001 0.000 0.195 204 K C -0.477 176.080 176.600 -0.072 0.000 1.045 204 K CA 0.010 56.304 56.287 0.012 0.000 1.004 204 K CB -0.108 32.364 32.500 -0.045 0.000 0.837 204 K HN 0.438 nan 8.250 nan 0.000 0.510 205 F N 1.976 121.792 119.950 -0.224 0.000 2.438 205 F HA 0.077 4.605 4.527 0.001 0.000 0.356 205 F C 1.161 176.724 175.800 -0.396 0.000 1.099 205 F CA -0.270 57.477 58.000 -0.423 0.000 1.185 205 F CB 0.915 39.436 39.000 -0.798 0.000 1.115 205 F HN -0.121 nan 8.300 nan 0.000 0.526 206 S N 0.001 115.636 115.700 -0.107 0.000 2.745 206 S HA 0.339 4.810 4.470 0.001 0.000 0.306 206 S C 0.813 175.465 174.600 0.086 0.000 1.137 206 S CA -0.110 58.100 58.200 0.017 0.000 0.900 206 S CB 1.149 64.350 63.200 0.001 0.000 1.176 206 S HN 0.559 nan 8.310 nan 0.000 0.520 207 S N 0.253 116.027 115.700 0.123 0.000 2.500 207 S HA -0.069 4.402 4.470 0.001 0.000 0.239 207 S C 1.037 175.666 174.600 0.048 0.000 0.989 207 S CA 0.573 58.841 58.200 0.113 0.000 0.951 207 S CB -0.631 62.615 63.200 0.077 0.000 0.759 207 S HN 0.657 nan 8.310 nan 0.000 0.523 208 K N 1.219 121.624 120.400 0.007 0.000 2.444 208 K HA 0.083 4.404 4.320 0.001 0.000 0.193 208 K C -0.062 176.494 176.600 -0.073 0.000 1.024 208 K CA 0.214 56.481 56.287 -0.034 0.000 1.077 208 K CB -0.192 32.278 32.500 -0.050 0.000 0.833 208 K HN 0.348 nan 8.250 nan 0.000 0.517 209 T N 2.548 117.049 114.554 -0.089 0.000 2.754 209 T HA 0.031 4.382 4.350 0.001 0.000 0.282 209 T C 1.082 175.720 174.700 -0.103 0.000 0.923 209 T CA 0.133 62.131 62.100 -0.171 0.000 1.164 209 T CB 1.062 69.758 68.868 -0.286 0.000 0.873 209 T HN 0.015 nan 8.240 nan 0.000 0.537 210 K N 2.749 123.074 120.400 -0.125 0.000 2.103 210 K HA 0.260 4.581 4.320 0.001 0.000 0.204 210 K C 0.500 177.033 176.600 -0.111 0.000 1.052 210 K CA 0.687 56.913 56.287 -0.101 0.000 0.945 210 K CB 0.155 32.587 32.500 -0.114 0.000 0.722 210 K HN 0.760 nan 8.250 nan 0.000 0.443 211 A N -0.501 122.216 122.820 -0.172 0.000 2.610 211 A HA 0.574 4.895 4.320 0.001 0.000 0.291 211 A C -1.617 175.815 177.584 -0.254 0.000 1.086 211 A CA -0.737 51.196 52.037 -0.173 0.000 0.677 211 A CB 0.739 19.637 19.000 -0.171 0.000 1.278 211 A HN 0.184 nan 8.150 nan 0.000 0.414 212 I N 0.720 121.165 120.570 -0.209 0.000 2.530 212 I HA 0.668 4.839 4.170 0.001 0.000 0.297 212 I C -1.275 174.721 176.117 -0.201 0.000 1.011 212 I CA -1.267 59.895 61.300 -0.230 0.000 1.107 212 I CB 1.316 39.224 38.000 -0.154 0.000 1.285 212 I HN 0.565 nan 8.210 nan 0.000 0.436 213 I N 7.781 128.222 120.570 -0.215 0.000 2.339 213 I HA 0.279 4.450 4.170 0.001 0.000 0.290 213 I C -0.887 175.124 176.117 -0.175 0.000 0.994 213 I CA -0.683 60.460 61.300 -0.262 0.000 1.191 213 I CB 1.621 39.363 38.000 -0.430 0.000 1.343 213 I HN 0.383 nan 8.210 nan 0.000 0.458 214 L N 7.641 128.752 121.223 -0.188 0.000 2.317 214 L HA 0.481 4.822 4.340 0.001 0.000 0.281 214 L C -0.554 176.243 176.870 -0.121 0.000 1.024 214 L CA -0.009 54.725 54.840 -0.176 0.000 0.810 214 L CB 1.418 43.335 42.059 -0.237 0.000 1.240 214 L HN 0.622 nan 8.230 nan 0.000 0.427 215 N N 3.043 121.719 118.700 -0.040 0.000 2.682 215 N HA 0.259 5.000 4.740 0.001 0.000 0.252 215 N C -1.443 174.122 175.510 0.092 0.000 1.081 215 N CA -0.132 52.946 53.050 0.046 0.000 0.844 215 N CB 0.768 39.337 38.487 0.137 0.000 1.167 215 N HN 0.768 nan 8.380 nan 0.000 0.523 216 T N 2.236 116.828 114.554 0.064 0.000 2.876 216 T HA 0.484 4.835 4.350 0.001 0.000 0.289 216 T C -2.797 172.057 174.700 0.257 0.000 1.014 216 T CA -1.777 60.455 62.100 0.220 0.000 0.986 216 T CB 1.528 70.532 68.868 0.228 0.000 1.021 216 T HN 0.224 nan 8.240 nan 0.000 0.458 217 P HA 0.061 nan 4.420 nan 0.000 0.266 217 P C -0.672 176.785 177.300 0.261 0.000 1.193 217 P CA -0.033 63.203 63.100 0.227 0.000 0.770 217 P CB 0.192 31.947 31.700 0.092 0.000 0.836 218 H N 3.042 122.201 119.070 0.149 0.000 2.525 218 H HA 0.226 4.783 4.556 0.001 0.000 0.339 218 H C -0.342 174.997 175.328 0.018 0.000 1.109 218 H CA 0.010 56.138 56.048 0.134 0.000 1.352 218 H CB 0.554 30.412 29.762 0.161 0.000 1.461 218 H HN 0.258 nan 8.280 nan 0.000 0.533 219 N N 5.758 124.417 118.700 -0.069 0.000 2.407 219 N HA 0.204 4.945 4.740 0.001 0.000 0.277 219 N C -2.283 173.045 175.510 -0.303 0.000 0.995 219 N CA -2.197 50.802 53.050 -0.085 0.000 0.903 219 N CB 1.958 40.469 38.487 0.039 0.000 1.218 219 N HN 0.308 nan 8.380 nan 0.000 0.487 220 P HA 0.113 nan 4.420 nan 0.000 0.252 220 P C 1.415 178.627 177.300 -0.145 0.000 1.211 220 P CA 0.196 63.084 63.100 -0.354 0.000 0.824 220 P CB 0.885 32.167 31.700 -0.697 0.000 1.077 221 L N -0.154 120.972 121.223 -0.162 0.000 2.042 221 L HA -0.069 4.272 4.340 0.001 0.000 0.210 221 L C 1.821 178.597 176.870 -0.156 0.000 1.076 221 L CA 2.071 56.706 54.840 -0.342 0.000 0.749 221 L CB -1.369 40.313 42.059 -0.628 0.000 0.893 221 L HN 0.177 nan 8.230 nan 0.000 0.432 222 G N 0.138 108.924 108.800 -0.024 0.000 2.134 222 G HA2 -0.282 3.679 3.960 0.001 0.000 0.209 222 G HA3 -0.282 3.679 3.960 0.001 0.000 0.209 222 G C 0.238 175.126 174.900 -0.020 0.000 0.993 222 G CA 0.143 45.244 45.100 0.001 0.000 0.669 222 G HN 0.342 nan 8.290 nan 0.000 0.519 223 K N 0.741 121.126 120.400 -0.025 0.000 2.379 223 K HA 0.447 4.768 4.320 0.001 0.000 0.284 223 K C 0.254 176.895 176.600 0.067 0.000 1.044 223 K CA -0.378 55.878 56.287 -0.052 0.000 0.974 223 K CB 0.647 33.044 32.500 -0.172 0.000 0.962 223 K HN 0.029 nan 8.250 nan 0.000 0.474 224 V N 6.912 126.819 119.914 -0.012 0.000 2.320 224 V HA 0.104 4.225 4.120 0.001 0.000 0.265 224 V C -0.495 175.678 176.094 0.131 0.000 1.048 224 V CA -0.637 61.715 62.300 0.086 0.000 0.865 224 V CB -0.498 31.322 31.823 -0.004 0.000 1.043 224 V HN 0.665 nan 8.190 nan 0.000 0.474 225 Y N 3.230 123.575 120.300 0.075 0.000 2.788 225 Y HA 0.102 4.653 4.550 0.001 0.000 0.341 225 Y C 1.605 177.540 175.900 0.058 0.000 1.258 225 Y CA 0.503 58.658 58.100 0.092 0.000 1.503 225 Y CB 0.545 39.078 38.460 0.122 0.000 1.325 225 Y HN 0.714 nan 8.280 nan 0.000 0.614 226 T N -0.351 114.309 114.554 0.176 0.000 2.881 226 T HA 0.275 4.626 4.350 0.001 0.000 0.278 226 T C 1.143 175.908 174.700 0.109 0.000 0.982 226 T CA -0.929 61.237 62.100 0.111 0.000 0.989 226 T CB 1.497 70.405 68.868 0.066 0.000 1.058 226 T HN 0.751 nan 8.240 nan 0.000 0.529 227 R N 0.251 120.790 120.500 0.065 0.000 2.096 227 R HA -0.202 4.138 4.340 0.001 0.000 0.240 227 R C 2.379 178.720 176.300 0.069 0.000 1.139 227 R CA 2.004 58.135 56.100 0.051 0.000 0.952 227 R CB -0.478 29.839 30.300 0.029 0.000 0.854 227 R HN 0.744 nan 8.270 nan 0.000 0.436 228 Q N 0.350 120.187 119.800 0.060 0.000 2.030 228 Q HA -0.190 4.151 4.340 0.001 0.000 0.204 228 Q C 1.969 178.032 176.000 0.104 0.000 0.986 228 Q CA 2.340 58.178 55.803 0.059 0.000 0.843 228 Q CB -0.112 28.639 28.738 0.022 0.000 0.904 228 Q HN 0.490 nan 8.270 nan 0.000 0.420 229 E N 0.288 120.560 120.200 0.119 0.000 2.070 229 E HA -0.197 4.154 4.350 0.001 0.000 0.197 229 E C 1.987 178.837 176.600 0.416 0.000 1.004 229 E CA 1.292 57.846 56.400 0.257 0.000 0.805 229 E CB -0.314 29.534 29.700 0.246 0.000 0.744 229 E HN 0.322 nan 8.360 nan 0.000 0.451 230 L N 0.679 122.074 121.223 0.286 0.000 2.201 230 L HA -0.171 4.169 4.340 0.001 0.000 0.212 230 L C 2.631 179.580 176.870 0.133 0.000 1.105 230 L CA 0.739 55.690 54.840 0.185 0.000 0.775 230 L CB -0.361 41.752 42.059 0.090 0.000 0.913 230 L HN 0.107 nan 8.230 nan 0.000 0.440 231 Q N 0.262 120.134 119.800 0.121 0.000 2.234 231 Q HA -0.142 4.199 4.340 0.001 0.000 0.206 231 Q C 2.023 178.082 176.000 0.098 0.000 0.980 231 Q CA 1.515 57.370 55.803 0.088 0.000 0.869 231 Q CB -0.122 28.656 28.738 0.066 0.000 0.912 231 Q HN 0.319 nan 8.270 nan 0.000 0.436 232 V N -0.457 119.555 119.914 0.162 0.000 2.379 232 V HA -0.122 3.998 4.120 0.001 0.000 0.243 232 V C 2.027 178.189 176.094 0.114 0.000 1.035 232 V CA 1.290 63.690 62.300 0.167 0.000 1.035 232 V CB -0.298 31.714 31.823 0.315 0.000 0.673 232 V HN 0.356 nan 8.190 nan 0.000 0.457 233 I N 0.588 121.246 120.570 0.147 0.000 2.286 233 I HA -0.234 3.937 4.170 0.001 0.000 0.248 233 I C 2.642 178.778 176.117 0.032 0.000 1.115 233 I CA 1.444 62.785 61.300 0.069 0.000 1.392 233 I CB -0.582 37.450 38.000 0.055 0.000 1.065 233 I HN 0.297 nan 8.210 nan 0.000 0.418 234 A N 0.815 123.660 122.820 0.042 0.000 1.845 234 A HA -0.248 4.072 4.320 0.001 0.000 0.215 234 A C 1.981 179.565 177.584 -0.000 0.000 1.195 234 A CA 2.121 54.174 52.037 0.027 0.000 0.616 234 A CB -0.729 18.294 19.000 0.038 0.000 0.832 234 A HN 0.313 nan 8.150 nan 0.000 0.443 235 D N 0.058 120.455 120.400 -0.006 0.000 2.133 235 D HA -0.185 4.456 4.640 0.001 0.000 0.192 235 D C 1.900 178.146 176.300 -0.090 0.000 1.001 235 D CA 1.408 55.389 54.000 -0.031 0.000 0.844 235 D CB -0.420 40.370 40.800 -0.017 0.000 0.944 235 D HN 0.454 nan 8.370 nan 0.000 0.447 236 L N -0.075 121.037 121.223 -0.185 0.000 2.027 236 L HA -0.176 4.164 4.340 0.001 0.000 0.206 236 L C 2.720 179.404 176.870 -0.311 0.000 1.074 236 L CA 0.833 55.421 54.840 -0.420 0.000 0.745 236 L CB -0.327 41.173 42.059 -0.931 0.000 0.898 236 L HN 0.149 nan 8.230 nan 0.000 0.433 237 C N -1.008 118.219 119.300 -0.122 0.000 2.429 237 C HA -0.146 4.314 4.460 0.001 0.000 0.277 237 C C 2.892 177.917 174.990 0.060 0.000 1.262 237 C CA 0.983 60.050 59.018 0.083 0.000 1.733 237 C CB -0.602 27.199 27.740 0.101 0.000 2.010 237 C HN 0.566 nan 8.230 nan 0.000 0.483 238 V N 0.582 120.505 119.914 0.015 0.000 2.809 238 V HA -0.130 3.991 4.120 0.001 0.000 0.256 238 V C 2.263 178.348 176.094 -0.015 0.000 1.080 238 V CA 2.256 64.562 62.300 0.011 0.000 1.102 238 V CB -0.687 31.144 31.823 0.014 0.000 0.705 238 V HN 0.616 nan 8.190 nan 0.000 0.475 239 K N -1.044 119.326 120.400 -0.049 0.000 2.076 239 K HA -0.099 4.222 4.320 0.001 0.000 0.204 239 K C 2.005 178.487 176.600 -0.197 0.000 1.051 239 K CA 1.440 57.650 56.287 -0.128 0.000 0.949 239 K CB -0.190 32.212 32.500 -0.163 0.000 0.726 239 K HN 0.675 nan 8.250 nan 0.000 0.443 240 H N -0.128 118.922 119.070 -0.034 0.000 2.539 240 H HA -0.014 4.543 4.556 0.001 0.000 0.269 240 H C -0.359 175.002 175.328 0.055 0.000 0.980 240 H CA 0.466 56.538 56.048 0.040 0.000 1.152 240 H CB 0.336 30.183 29.762 0.142 0.000 1.407 240 H HN 0.302 nan 8.280 nan 0.000 0.564 241 D N 2.131 122.601 120.400 0.115 0.000 2.927 241 D HA -0.149 4.492 4.640 0.001 0.000 0.236 241 D C -0.130 176.233 176.300 0.105 0.000 1.163 241 D CA 1.162 55.212 54.000 0.083 0.000 0.801 241 D CB -0.762 40.067 40.800 0.049 0.000 0.975 241 D HN 0.560 nan 8.370 nan 0.000 0.413 242 T N -1.356 113.275 114.554 0.129 0.000 2.887 242 T HA 0.719 5.070 4.350 0.001 0.000 0.292 242 T C -0.146 174.591 174.700 0.062 0.000 1.087 242 T CA -1.130 61.034 62.100 0.106 0.000 1.009 242 T CB 1.520 70.498 68.868 0.183 0.000 1.203 242 T HN 0.040 nan 8.240 nan 0.000 0.518 243 L N 0.801 122.027 121.223 0.006 0.000 2.416 243 L HA 0.704 5.045 4.340 0.001 0.000 0.262 243 L C 0.186 177.027 176.870 -0.048 0.000 1.093 243 L CA -0.754 54.064 54.840 -0.037 0.000 0.801 243 L CB 1.384 43.395 42.059 -0.080 0.000 1.191 243 L HN 1.056 nan 8.230 nan 0.000 0.459 244 C N 3.460 122.716 119.300 -0.074 0.000 2.432 244 C HA 0.611 5.072 4.460 0.001 0.000 0.334 244 C C -0.413 174.500 174.990 -0.129 0.000 1.155 244 C CA -0.765 58.201 59.018 -0.087 0.000 1.335 244 C CB -0.562 27.144 27.740 -0.056 0.000 1.964 244 C HN 0.593 nan 8.230 nan 0.000 0.444 245 I N 5.191 125.663 120.570 -0.164 0.000 2.315 245 I HA 0.351 4.522 4.170 0.001 0.000 0.291 245 I C 0.339 176.339 176.117 -0.195 0.000 1.006 245 I CA 0.313 61.499 61.300 -0.190 0.000 1.265 245 I CB 1.653 39.513 38.000 -0.233 0.000 1.387 245 I HN 0.658 nan 8.210 nan 0.000 0.475 246 S N 5.117 120.721 115.700 -0.160 0.000 2.640 246 S HA 0.180 4.651 4.470 0.001 0.000 0.320 246 S C -0.616 173.910 174.600 -0.124 0.000 1.097 246 S CA -0.717 57.401 58.200 -0.137 0.000 1.092 246 S CB 0.623 63.767 63.200 -0.093 0.000 0.988 246 S HN 0.547 nan 8.310 nan 0.000 0.470 247 D N 3.858 124.181 120.400 -0.129 0.000 2.352 247 D HA 0.191 4.832 4.640 0.001 0.000 0.245 247 D C 0.140 176.394 176.300 -0.075 0.000 1.224 247 D CA 0.124 54.060 54.000 -0.107 0.000 0.879 247 D CB 0.647 41.427 40.800 -0.034 0.000 1.057 247 D HN 0.689 nan 8.370 nan 0.000 0.491 248 E N 2.394 122.530 120.200 -0.108 0.000 2.968 248 E HA 0.027 4.377 4.350 0.001 0.000 0.202 248 E C 1.798 178.271 176.600 -0.211 0.000 0.979 248 E CA -0.034 56.318 56.400 -0.081 0.000 1.192 248 E CB 0.867 30.580 29.700 0.021 0.000 1.059 248 E HN 0.384 nan 8.360 nan 0.000 0.470 249 V N -1.287 118.436 119.914 -0.318 0.000 2.453 249 V HA -0.285 3.836 4.120 0.001 0.000 0.252 249 V C 1.435 177.250 176.094 -0.464 0.000 1.068 249 V CA 1.482 63.516 62.300 -0.444 0.000 1.070 249 V CB -0.848 30.578 31.823 -0.662 0.000 0.664 249 V HN 0.287 nan 8.190 nan 0.000 0.461 250 Y N 2.369 122.555 120.300 -0.191 0.000 2.462 250 Y HA 0.216 4.767 4.550 0.001 0.000 0.293 250 Y C 2.295 178.019 175.900 -0.293 0.000 1.195 250 Y CA -0.247 57.714 58.100 -0.232 0.000 1.276 250 Y CB -1.060 37.237 38.460 -0.271 0.000 1.082 250 Y HN 0.548 nan 8.280 nan 0.000 0.514 251 E N -0.854 119.116 120.200 -0.383 0.000 2.200 251 E HA -0.329 4.022 4.350 0.001 0.000 0.211 251 E C 0.901 177.084 176.600 -0.695 0.000 1.048 251 E CA 2.373 58.239 56.400 -0.889 0.000 0.851 251 E CB -0.999 28.013 29.700 -1.147 0.000 0.747 251 E HN 0.624 nan 8.360 nan 0.000 0.462 252 W N 1.049 122.222 121.300 -0.211 0.000 2.905 252 W HA 0.257 4.918 4.660 0.001 0.000 0.251 252 W C 0.812 177.241 176.519 -0.150 0.000 1.305 252 W CA -0.295 56.952 57.345 -0.164 0.000 1.465 252 W CB 0.252 29.622 29.460 -0.150 0.000 1.122 252 W HN -0.072 nan 8.180 nan 0.000 0.659 253 L N 2.229 123.446 121.223 -0.010 0.000 2.598 253 L HA 0.251 4.592 4.340 0.001 0.000 0.241 253 L C 0.143 176.749 176.870 -0.440 0.000 1.244 253 L CA -0.594 54.134 54.840 -0.186 0.000 1.198 253 L CB -0.773 41.180 42.059 -0.177 0.000 1.448 253 L HN -0.262 nan 8.230 nan 0.000 0.406 254 V N -2.373 117.325 119.914 -0.360 0.000 2.581 254 V HA 0.596 4.716 4.120 0.001 0.000 0.303 254 V C -0.652 175.238 176.094 -0.339 0.000 1.041 254 V CA -0.568 61.512 62.300 -0.367 0.000 0.907 254 V CB 1.764 33.547 31.823 -0.067 0.000 0.994 254 V HN 0.213 nan 8.190 nan 0.000 0.442 255 Y N 1.265 121.651 120.300 0.143 0.000 2.618 255 Y HA 0.704 5.255 4.550 0.001 0.000 0.326 255 Y C 1.267 177.269 175.900 0.170 0.000 1.168 255 Y CA -0.381 57.803 58.100 0.141 0.000 1.269 255 Y CB 0.881 39.412 38.460 0.119 0.000 1.388 255 Y HN 0.962 nan 8.280 nan 0.000 0.528 256 T N -1.684 113.055 114.554 0.308 0.000 2.932 256 T HA 0.363 4.714 4.350 0.001 0.000 0.312 256 T C 1.162 175.930 174.700 0.113 0.000 1.071 256 T CA 0.452 62.653 62.100 0.168 0.000 1.128 256 T CB 0.361 69.293 68.868 0.107 0.000 0.984 256 T HN 1.381 nan 8.240 nan 0.000 0.549 257 G N 1.729 110.528 108.800 -0.000 0.000 2.234 257 G HA2 -0.213 3.747 3.960 0.001 0.000 0.260 257 G HA3 -0.213 3.747 3.960 0.001 0.000 0.260 257 G C -0.007 174.651 174.900 -0.403 0.000 0.987 257 G CA 0.540 45.526 45.100 -0.190 0.000 0.625 257 G HN 1.134 nan 8.290 nan 0.000 0.532 258 H N -0.593 118.516 119.070 0.066 0.000 2.710 258 H HA 0.786 5.343 4.556 0.001 0.000 0.361 258 H C -0.417 174.936 175.328 0.042 0.000 1.175 258 H CA -0.007 56.072 56.048 0.052 0.000 1.206 258 H CB 2.138 31.933 29.762 0.056 0.000 1.750 258 H HN 0.127 nan 8.280 nan 0.000 0.553 259 T N 0.657 115.311 114.554 0.168 0.000 3.109 259 T HA 0.076 4.426 4.350 0.001 0.000 0.311 259 T C -1.217 173.533 174.700 0.083 0.000 1.011 259 T CA -0.773 61.386 62.100 0.097 0.000 1.026 259 T CB 0.485 69.388 68.868 0.058 0.000 1.047 259 T HN 0.586 nan 8.240 nan 0.000 0.448 260 H N 2.774 121.832 119.070 -0.020 0.000 3.091 260 H HA 0.392 4.948 4.556 0.001 0.000 0.289 260 H C -0.344 174.949 175.328 -0.058 0.000 0.995 260 H CA 0.634 56.647 56.048 -0.058 0.000 1.461 260 H CB 0.080 29.750 29.762 -0.153 0.000 1.510 260 H HN 0.254 nan 8.280 nan 0.000 0.546 261 V N 6.408 126.073 119.914 -0.415 0.000 2.667 261 V HA 0.267 4.387 4.120 0.001 0.000 0.308 261 V C -0.067 175.736 176.094 -0.484 0.000 1.048 261 V CA -0.895 61.230 62.300 -0.292 0.000 0.928 261 V CB 1.857 33.602 31.823 -0.130 0.000 1.004 261 V HN 0.737 nan 8.190 nan 0.000 0.444 262 K N 3.450 123.678 120.400 -0.288 0.000 2.367 262 K HA 0.438 4.759 4.320 0.001 0.000 0.263 262 K C 0.884 177.400 176.600 -0.141 0.000 1.000 262 K CA -0.402 55.746 56.287 -0.231 0.000 0.891 262 K CB 1.710 34.065 32.500 -0.242 0.000 1.117 262 K HN 0.635 nan 8.250 nan 0.000 0.443 263 I N 2.715 123.223 120.570 -0.102 0.000 2.248 263 I HA -0.340 3.831 4.170 0.001 0.000 0.248 263 I C 1.905 178.026 176.117 0.007 0.000 1.107 263 I CA 1.636 62.911 61.300 -0.043 0.000 1.373 263 I CB 0.133 38.106 38.000 -0.045 0.000 1.055 263 I HN 0.776 nan 8.210 nan 0.000 0.418 264 A N -0.192 122.646 122.820 0.029 0.000 2.084 264 A HA -0.252 4.069 4.320 0.001 0.000 0.221 264 A C 2.069 179.788 177.584 0.226 0.000 1.161 264 A CA 2.170 54.298 52.037 0.152 0.000 0.653 264 A CB -1.122 18.045 19.000 0.279 0.000 0.802 264 A HN 0.627 nan 8.150 nan 0.000 0.457 265 T N -3.330 111.269 114.554 0.075 0.000 3.188 265 T HA 0.466 4.817 4.350 0.001 0.000 0.250 265 T C 0.283 175.026 174.700 0.072 0.000 1.077 265 T CA -0.315 61.835 62.100 0.084 0.000 0.967 265 T CB -0.384 68.459 68.868 -0.042 0.000 1.006 265 T HN 0.014 nan 8.240 nan 0.000 0.552 266 L N 1.765 123.030 121.223 0.070 0.000 2.431 266 L HA 0.566 4.906 4.340 0.001 0.000 0.260 266 L C -2.204 174.711 176.870 0.074 0.000 1.098 266 L CA -2.357 52.516 54.840 0.055 0.000 0.800 266 L CB 0.494 42.578 42.059 0.042 0.000 1.210 266 L HN -0.039 nan 8.230 nan 0.000 0.465 267 P HA 0.249 nan 4.420 nan 0.000 0.269 267 P C 0.456 177.800 177.300 0.073 0.000 1.209 267 P CA 0.664 63.803 63.100 0.065 0.000 0.776 267 P CB 0.574 32.301 31.700 0.045 0.000 0.876 268 G N 1.845 110.699 108.800 0.089 0.000 2.205 268 G HA2 -0.290 3.671 3.960 0.001 0.000 0.261 268 G HA3 -0.290 3.671 3.960 0.001 0.000 0.261 268 G C 0.785 175.747 174.900 0.104 0.000 0.980 268 G CA 0.253 45.406 45.100 0.087 0.000 0.632 268 G HN 0.442 nan 8.290 nan 0.000 0.533 269 M N -0.867 118.810 119.600 0.128 0.000 2.461 269 M HA 0.250 4.731 4.480 0.001 0.000 0.255 269 M C 1.985 178.362 176.300 0.130 0.000 1.137 269 M CA 0.014 55.378 55.300 0.106 0.000 1.086 269 M CB -0.825 31.823 32.600 0.081 0.000 1.356 269 M HN 0.513 nan 8.290 nan 0.000 0.487 270 W N 3.452 124.798 121.300 0.077 0.000 2.304 270 W HA -0.274 4.387 4.660 0.001 0.000 0.315 270 W C 1.392 177.963 176.519 0.087 0.000 1.233 270 W CA 2.550 59.950 57.345 0.092 0.000 1.261 270 W CB -0.213 29.303 29.460 0.093 0.000 1.150 270 W HN 0.429 nan 8.180 nan 0.000 0.494 271 E N 0.299 120.561 120.200 0.104 0.000 2.267 271 E HA -0.240 4.111 4.350 0.001 0.000 0.197 271 E C 1.700 178.304 176.600 0.006 0.000 0.998 271 E CA 1.527 57.998 56.400 0.118 0.000 0.830 271 E CB -0.484 29.316 29.700 0.166 0.000 0.751 271 E HN 0.480 nan 8.360 nan 0.000 0.491 272 R N 0.101 120.554 120.500 -0.077 0.000 2.566 272 R HA 0.274 4.615 4.340 0.001 0.000 0.388 272 R C -0.408 175.810 176.300 -0.137 0.000 0.989 272 R CA -0.263 55.791 56.100 -0.076 0.000 1.164 272 R CB 0.663 30.963 30.300 -0.001 0.000 1.459 272 R HN -0.165 nan 8.270 nan 0.000 0.553 273 T N 1.427 115.846 114.554 -0.225 0.000 2.893 273 T HA 0.500 4.851 4.350 0.001 0.000 0.291 273 T C -0.830 173.710 174.700 -0.268 0.000 1.028 273 T CA -0.530 61.453 62.100 -0.195 0.000 0.995 273 T CB 2.291 71.092 68.868 -0.112 0.000 1.051 273 T HN 0.022 nan 8.240 nan 0.000 0.470 274 I N 3.002 123.450 120.570 -0.203 0.000 2.410 274 I HA 0.308 4.479 4.170 0.001 0.000 0.286 274 I C -0.042 175.992 176.117 -0.139 0.000 1.009 274 I CA -0.470 60.709 61.300 -0.201 0.000 1.111 274 I CB 1.602 39.487 38.000 -0.192 0.000 1.262 274 I HN 0.609 nan 8.210 nan 0.000 0.443 275 T N 7.432 121.929 114.554 -0.094 0.000 2.758 275 T HA 0.618 4.968 4.350 0.001 0.000 0.285 275 T C 0.227 174.893 174.700 -0.057 0.000 0.981 275 T CA -0.236 61.843 62.100 -0.034 0.000 0.965 275 T CB 1.247 70.172 68.868 0.095 0.000 0.927 275 T HN 0.242 nan 8.240 nan 0.000 0.448 276 I N 1.926 122.433 120.570 -0.105 0.000 2.676 276 I HA 0.779 4.950 4.170 0.001 0.000 0.309 276 I C 0.812 176.778 176.117 -0.252 0.000 0.990 276 I CA -0.327 60.860 61.300 -0.189 0.000 1.168 276 I CB 1.831 39.711 38.000 -0.201 0.000 1.343 276 I HN 0.764 nan 8.210 nan 0.000 0.482 277 G N 1.397 109.876 108.800 -0.534 0.000 2.632 277 G HA2 0.533 4.494 3.960 0.001 0.000 0.292 277 G HA3 0.533 4.494 3.960 0.001 0.000 0.292 277 G C -1.925 172.178 174.900 -1.327 0.000 1.465 277 G CA -0.417 44.320 45.100 -0.605 0.000 0.824 277 G HN 0.551 nan 8.290 nan 0.000 0.509 278 S N -0.679 114.490 115.700 -0.885 0.000 2.540 278 S HA 0.662 5.133 4.470 0.001 0.000 0.275 278 S C 1.114 175.610 174.600 -0.174 0.000 1.123 278 S CA 0.586 58.348 58.200 -0.730 0.000 0.907 278 S CB 1.666 64.641 63.200 -0.374 0.000 1.081 278 S HN 1.830 nan 8.310 nan 0.000 0.476 279 A N 3.846 126.707 122.820 0.068 0.000 1.930 279 A HA 0.333 4.654 4.320 0.001 0.000 0.217 279 A C 1.424 179.150 177.584 0.236 0.000 1.175 279 A CA 1.232 53.554 52.037 0.475 0.000 0.627 279 A CB -1.421 17.922 19.000 0.572 0.000 0.815 279 A HN 1.168 nan 8.150 nan 0.000 0.443 283 F N 2.626 122.614 119.950 0.062 0.000 2.639 283 F HA 0.486 5.014 4.527 0.001 0.000 0.302 283 F C 0.889 176.589 175.800 -0.165 0.000 1.097 283 F CA -0.195 57.735 58.000 -0.116 0.000 1.294 283 F CB 0.274 39.048 39.000 -0.376 0.000 1.027 283 F HN 0.021 nan 8.300 nan 0.000 0.550 284 S N 0.309 116.058 115.700 0.082 0.000 3.682 284 S HA -0.158 4.313 4.470 0.001 0.000 0.354 284 S C -0.056 174.448 174.600 -0.161 0.000 1.034 284 S CA 0.452 58.654 58.200 0.003 0.000 1.084 284 S CB -1.659 61.577 63.200 0.061 0.000 0.903 284 S HN 0.167 nan 8.310 nan 0.000 0.470 285 V N 2.004 121.789 119.914 -0.214 0.000 2.405 285 V HA 0.246 4.366 4.120 0.001 0.000 0.253 285 V C 1.415 177.388 176.094 -0.200 0.000 0.963 285 V CA 0.312 62.361 62.300 -0.419 0.000 1.003 285 V CB 0.806 32.046 31.823 -0.972 0.000 1.251 285 V HN 0.781 nan 8.190 nan 0.000 0.520 286 T N -0.642 113.853 114.554 -0.098 0.000 2.951 286 T HA -0.046 4.305 4.350 0.001 0.000 0.268 286 T C 1.806 176.548 174.700 0.069 0.000 1.073 286 T CA 1.273 63.370 62.100 -0.005 0.000 1.134 286 T CB -0.055 68.800 68.868 -0.021 0.000 0.884 286 T HN 0.608 nan 8.240 nan 0.000 0.479 287 G N -0.674 108.189 108.800 0.105 0.000 2.776 287 G HA2 0.062 4.023 3.960 0.001 0.000 0.209 287 G HA3 0.062 4.023 3.960 0.001 0.000 0.209 287 G C 0.880 175.979 174.900 0.332 0.000 1.145 287 G CA -0.147 45.067 45.100 0.190 0.000 0.791 287 G HN 0.505 nan 8.290 nan 0.000 0.530 288 W N 0.084 121.384 121.300 -0.001 0.000 2.523 288 W HA 0.269 4.930 4.660 0.002 0.000 0.278 288 W C 0.968 177.497 176.519 0.018 0.000 1.236 288 W CA -0.252 57.102 57.345 0.015 0.000 1.306 288 W CB 0.248 29.733 29.460 0.042 0.000 1.101 288 W HN -0.020 nan 8.180 nan 0.000 0.577 289 K N 0.456 120.995 120.400 0.232 0.000 3.278 289 K HA -0.204 4.116 4.320 0.001 0.000 0.270 289 K C -0.689 175.988 176.600 0.128 0.000 0.955 289 K CA 0.769 57.127 56.287 0.119 0.000 0.723 289 K CB -2.143 30.376 32.500 0.032 0.000 1.382 289 K HN 0.253 nan 8.250 nan 0.000 0.461 290 L N 0.042 121.390 121.223 0.209 0.000 2.313 290 L HA 0.621 4.961 4.340 0.001 0.000 0.283 290 L C 1.028 177.977 176.870 0.132 0.000 1.013 290 L CA -0.467 54.517 54.840 0.240 0.000 0.816 290 L CB 2.064 44.358 42.059 0.391 0.000 1.236 290 L HN 0.311 nan 8.230 nan 0.000 0.419 291 G N 1.484 110.309 108.800 0.041 0.000 2.733 291 G HA2 0.694 4.655 3.960 0.001 0.000 0.288 291 G HA3 0.694 4.655 3.960 0.001 0.000 0.288 291 G C -2.229 172.625 174.900 -0.076 0.000 1.373 291 G CA -0.573 44.314 45.100 -0.356 0.000 0.895 291 G HN 0.620 nan 8.290 nan 0.000 0.479 292 W N -0.944 120.389 121.300 0.056 0.000 2.975 292 W HA 0.767 5.428 4.660 0.001 0.000 0.342 292 W C -0.575 175.909 176.519 -0.058 0.000 1.168 292 W CA -1.380 55.965 57.345 0.000 0.000 1.141 292 W CB 1.494 30.925 29.460 -0.049 0.000 1.445 292 W HN 0.513 nan 8.180 nan 0.000 0.560 293 S N 1.964 117.730 115.700 0.109 0.000 2.707 293 S HA 0.570 5.041 4.470 0.001 0.000 0.303 293 S C -0.727 173.861 174.600 -0.020 0.000 1.132 293 S CA -0.662 57.534 58.200 -0.006 0.000 1.046 293 S CB 0.605 63.770 63.200 -0.059 0.000 1.004 293 S HN 0.396 nan 8.310 nan 0.000 0.483 294 I N 2.469 123.012 120.570 -0.044 0.000 2.437 294 I HA 0.834 5.004 4.170 0.001 0.000 0.298 294 I C 0.747 176.753 176.117 -0.185 0.000 0.984 294 I CA -0.275 60.967 61.300 -0.097 0.000 1.214 294 I CB 1.706 39.620 38.000 -0.144 0.000 1.365 294 I HN 0.874 nan 8.210 nan 0.000 0.469 295 G N 5.952 114.557 108.800 -0.326 0.000 2.321 295 G HA2 0.231 4.192 3.960 0.001 0.000 0.298 295 G HA3 0.231 4.192 3.960 0.001 0.000 0.298 295 G C -3.361 171.142 174.900 -0.662 0.000 1.385 295 G CA -0.698 43.975 45.100 -0.711 0.000 0.856 295 G HN 0.319 nan 8.290 nan 0.000 0.584 296 P HA 0.432 nan 4.420 nan 0.000 0.276 296 P C 0.854 178.054 177.300 -0.167 0.000 1.244 296 P CA 0.516 63.396 63.100 -0.366 0.000 0.801 296 P CB 1.692 33.122 31.700 -0.449 0.000 1.006 297 A N 2.061 124.926 122.820 0.074 0.000 2.015 297 A HA -0.191 4.130 4.320 0.001 0.000 0.219 297 A C 1.938 179.478 177.584 -0.073 0.000 1.163 297 A CA 1.407 53.453 52.037 0.015 0.000 0.646 297 A CB -1.487 17.564 19.000 0.085 0.000 0.806 297 A HN 0.788 nan 8.150 nan 0.000 0.448 298 H N -1.398 117.603 119.070 -0.114 0.000 2.465 298 H HA 0.195 4.751 4.556 0.001 0.000 0.289 298 H C 1.744 176.923 175.328 -0.247 0.000 1.022 298 H CA 0.879 56.825 56.048 -0.169 0.000 1.340 298 H CB -0.613 29.109 29.762 -0.067 0.000 1.437 298 H HN 0.406 nan 8.280 nan 0.000 0.539 299 L N 0.357 121.056 121.223 -0.872 0.000 2.156 299 L HA -0.071 4.269 4.340 0.001 0.000 0.208 299 L C 2.558 179.224 176.870 -0.339 0.000 1.095 299 L CA 0.443 54.989 54.840 -0.490 0.000 0.770 299 L CB -0.149 41.584 42.059 -0.543 0.000 0.914 299 L HN 0.191 nan 8.230 nan 0.000 0.439 300 I N 0.871 121.231 120.570 -0.350 0.000 2.353 300 I HA -0.232 3.939 4.170 0.001 0.000 0.248 300 I C 2.603 178.549 176.117 -0.285 0.000 1.119 300 I CA 1.256 62.396 61.300 -0.268 0.000 1.417 300 I CB -0.726 37.148 38.000 -0.210 0.000 1.078 300 I HN 0.425 nan 8.210 nan 0.000 0.421 301 K N 0.181 120.376 120.400 -0.342 0.000 2.147 301 K HA -0.215 4.105 4.320 0.001 0.000 0.205 301 K C 1.825 178.237 176.600 -0.314 0.000 1.049 301 K CA 1.377 57.459 56.287 -0.342 0.000 0.936 301 K CB -0.546 31.762 32.500 -0.319 0.000 0.722 301 K HN 0.359 nan 8.250 nan 0.000 0.446 302 H N 0.887 119.861 119.070 -0.159 0.000 2.389 302 H HA -0.019 4.538 4.556 0.001 0.000 0.299 302 H C 2.201 177.422 175.328 -0.177 0.000 1.081 302 H CA 1.121 57.079 56.048 -0.150 0.000 1.345 302 H CB -0.219 29.462 29.762 -0.135 0.000 1.393 302 H HN 0.111 nan 8.280 nan 0.000 0.520 303 L N 1.074 122.234 121.223 -0.105 0.000 2.131 303 L HA -0.170 4.170 4.340 0.001 0.000 0.210 303 L C 2.468 179.208 176.870 -0.216 0.000 1.092 303 L CA 1.398 56.154 54.840 -0.141 0.000 0.759 303 L CB -0.391 41.583 42.059 -0.142 0.000 0.903 303 L HN 0.234 nan 8.230 nan 0.000 0.435 304 Q N -1.734 117.847 119.800 -0.364 0.000 2.187 304 Q HA -0.100 4.241 4.340 0.001 0.000 0.199 304 Q C 2.073 177.886 176.000 -0.311 0.000 0.957 304 Q CA 1.517 56.946 55.803 -0.622 0.000 0.857 304 Q CB -0.256 27.690 28.738 -1.319 0.000 0.929 304 Q HN 0.434 nan 8.270 nan 0.000 0.453 305 T N 0.885 115.335 114.554 -0.174 0.000 2.720 305 T HA -0.157 4.194 4.350 0.001 0.000 0.268 305 T C 2.047 176.691 174.700 -0.093 0.000 1.037 305 T CA 1.373 63.423 62.100 -0.083 0.000 1.144 305 T CB -0.310 68.543 68.868 -0.025 0.000 0.864 305 T HN 0.052 nan 8.240 nan 0.000 0.444 306 V N 1.332 121.191 119.914 -0.092 0.000 2.233 306 V HA -0.273 3.848 4.120 0.001 0.000 0.247 306 V C 2.655 178.715 176.094 -0.057 0.000 1.050 306 V CA 2.207 64.471 62.300 -0.061 0.000 1.010 306 V CB -0.734 31.053 31.823 -0.060 0.000 0.637 306 V HN 0.483 nan 8.190 nan 0.000 0.444 307 Q N 0.052 119.793 119.800 -0.098 0.000 2.061 307 Q HA -0.301 4.039 4.340 0.001 0.000 0.204 307 Q C 2.378 178.172 176.000 -0.343 0.000 0.984 307 Q CA 2.350 58.032 55.803 -0.201 0.000 0.846 307 Q CB -0.309 28.315 28.738 -0.190 0.000 0.902 307 Q HN 0.834 nan 8.270 nan 0.000 0.421 308 Q N -0.777 118.837 119.800 -0.309 0.000 2.368 308 Q HA -0.165 4.176 4.340 0.001 0.000 0.210 308 Q C 0.598 176.222 176.000 -0.627 0.000 0.982 308 Q CA 1.353 56.676 55.803 -0.799 0.000 0.884 308 Q CB -0.053 28.358 28.738 -0.544 0.000 0.933 308 Q HN 0.356 nan 8.270 nan 0.000 0.460 309 N N 0.143 118.674 118.700 -0.283 0.000 2.230 309 N HA 0.056 4.797 4.740 0.001 0.000 0.202 309 N C 0.449 175.935 175.510 -0.040 0.000 1.119 309 N CA 0.727 53.692 53.050 -0.142 0.000 0.851 309 N CB 1.085 39.526 38.487 -0.078 0.000 0.990 309 N HN 0.447 nan 8.380 nan 0.000 0.497 310 S N -0.010 115.669 115.700 -0.035 0.000 3.169 310 S HA 0.109 4.579 4.470 0.001 0.000 0.174 310 S C 1.311 176.032 174.600 0.201 0.000 0.696 310 S CA -0.239 58.043 58.200 0.138 0.000 0.819 310 S CB -0.619 62.758 63.200 0.296 0.000 0.867 310 S HN 0.135 nan 8.310 nan 0.000 0.680 311 F N -0.713 119.306 119.950 0.115 0.000 2.678 311 F HA 0.508 5.035 4.527 0.001 0.000 0.291 311 F C 1.239 177.192 175.800 0.256 0.000 1.123 311 F CA -0.538 57.550 58.000 0.146 0.000 1.395 311 F CB -0.536 38.534 39.000 0.115 0.000 1.121 311 F HN 0.385 nan 8.300 nan 0.000 0.592 312 Y N 1.314 121.248 120.300 -0.609 0.000 2.887 312 Y HA -0.334 4.216 4.550 0.001 0.000 0.467 312 Y C 0.996 176.732 175.900 -0.274 0.000 1.195 312 Y CA 1.085 58.974 58.100 -0.352 0.000 2.530 312 Y CB -1.979 36.392 38.460 -0.148 0.000 1.224 312 Y HN 0.210 nan 8.280 nan 0.000 0.629 313 T N 2.725 117.385 114.554 0.176 0.000 2.795 313 T HA 0.425 4.776 4.350 0.001 0.000 0.314 313 T C 0.357 175.286 174.700 0.381 0.000 1.069 313 T CA 0.350 62.553 62.100 0.171 0.000 1.071 313 T CB 0.660 69.584 68.868 0.095 0.000 0.988 313 T HN 0.622 nan 8.240 nan 0.000 0.543 314 C N 0.585 120.084 119.300 0.331 0.000 2.822 314 C HA 0.838 5.298 4.460 0.001 0.000 0.341 314 C C 1.005 176.102 174.990 0.179 0.000 1.301 314 C CA -1.006 58.201 59.018 0.314 0.000 1.706 314 C CB 1.154 29.079 27.740 0.309 0.000 2.178 314 C HN 1.116 nan 8.230 nan 0.000 0.481 315 A N 0.841 123.720 122.820 0.098 0.000 2.425 315 A HA 0.444 4.765 4.320 0.001 0.000 0.242 315 A C 1.039 178.601 177.584 -0.037 0.000 1.077 315 A CA 0.321 52.365 52.037 0.012 0.000 0.781 315 A CB 0.014 18.982 19.000 -0.053 0.000 1.020 315 A HN 0.937 nan 8.150 nan 0.000 0.494 316 T N 2.360 116.865 114.554 -0.083 0.000 2.866 316 T HA 0.027 4.378 4.350 0.001 0.000 0.250 316 T C -0.807 173.739 174.700 -0.256 0.000 1.033 316 T CA 1.476 63.473 62.100 -0.172 0.000 1.145 316 T CB -0.899 67.904 68.868 -0.109 0.000 0.866 316 T HN 0.642 nan 8.240 nan 0.000 0.434 317 P HA -0.044 nan 4.420 nan 0.000 0.216 317 P C 1.537 178.663 177.300 -0.289 0.000 1.150 317 P CA 1.073 64.035 63.100 -0.230 0.000 0.843 317 P CB -0.320 31.240 31.700 -0.233 0.000 0.787 318 L N -0.559 120.455 121.223 -0.347 0.000 2.017 318 L HA -0.196 4.145 4.340 0.001 0.000 0.208 318 L C 2.952 179.736 176.870 -0.142 0.000 1.073 318 L CA 1.680 56.242 54.840 -0.462 0.000 0.745 318 L CB -1.363 40.424 42.059 -0.453 0.000 0.894 318 L HN 0.004 nan 8.230 nan 0.000 0.432 319 Q N 0.288 120.037 119.800 -0.084 0.000 2.046 319 Q HA -0.127 4.213 4.340 0.001 0.000 0.200 319 Q C 2.500 178.491 176.000 -0.014 0.000 0.975 319 Q CA 1.289 57.106 55.803 0.023 0.000 0.836 319 Q CB -0.433 28.324 28.738 0.032 0.000 0.896 319 Q HN 0.509 nan 8.270 nan 0.000 0.428 320 A N 1.971 124.632 122.820 -0.264 0.000 1.896 320 A HA -0.291 4.029 4.320 0.001 0.000 0.220 320 A C 2.413 180.049 177.584 0.085 0.000 1.206 320 A CA 2.341 54.340 52.037 -0.064 0.000 0.647 320 A CB -1.116 17.817 19.000 -0.112 0.000 0.828 320 A HN 0.452 nan 8.150 nan 0.000 0.455 321 A N -1.196 121.646 122.820 0.037 0.000 1.898 321 A HA 0.055 4.375 4.320 0.001 0.000 0.216 321 A C 2.172 179.863 177.584 0.178 0.000 1.181 321 A CA 1.646 53.749 52.037 0.110 0.000 0.620 321 A CB -0.616 18.437 19.000 0.088 0.000 0.819 321 A HN 0.750 nan 8.150 nan 0.000 0.442 322 L N -0.094 121.286 121.223 0.260 0.000 2.083 322 L HA -0.073 4.267 4.340 0.001 0.000 0.209 322 L C 2.659 179.628 176.870 0.165 0.000 1.083 322 L CA 1.971 56.922 54.840 0.184 0.000 0.752 322 L CB -0.606 41.685 42.059 0.386 0.000 0.899 322 L HN 0.361 nan 8.230 nan 0.000 0.433 323 A N -1.063 121.896 122.820 0.232 0.000 1.997 323 A HA -0.292 4.029 4.320 0.001 0.000 0.221 323 A C 2.223 179.876 177.584 0.115 0.000 1.172 323 A CA 2.250 54.402 52.037 0.193 0.000 0.645 323 A CB -0.514 18.671 19.000 0.310 0.000 0.813 323 A HN 0.558 nan 8.150 nan 0.000 0.454 324 E N -1.319 118.992 120.200 0.185 0.000 2.206 324 E HA 0.332 4.683 4.350 0.001 0.000 0.195 324 E C 2.162 178.838 176.600 0.127 0.000 0.935 324 E CA 0.949 57.516 56.400 0.277 0.000 0.875 324 E CB -0.428 29.398 29.700 0.211 0.000 0.841 324 E HN 0.386 nan 8.360 nan 0.000 0.477 325 A N 0.414 123.201 122.820 -0.055 0.000 1.873 325 A HA -0.215 4.106 4.320 0.001 0.000 0.218 325 A C 2.043 179.506 177.584 -0.202 0.000 1.193 325 A CA 1.748 53.616 52.037 -0.282 0.000 0.629 325 A CB -1.182 17.336 19.000 -0.803 0.000 0.826 325 A HN 0.329 nan 8.150 nan 0.000 0.447 326 F N -1.576 118.304 119.950 -0.116 0.000 2.154 326 F HA -0.244 4.284 4.527 0.001 0.000 0.301 326 F C 2.152 177.886 175.800 -0.109 0.000 1.087 326 F CA 1.530 59.539 58.000 0.014 0.000 1.274 326 F CB -0.731 38.169 39.000 -0.165 0.000 1.009 326 F HN 0.425 nan 8.300 nan 0.000 0.485 327 W N -0.154 121.270 121.300 0.208 0.000 2.381 327 W HA -0.084 4.576 4.660 0.001 0.000 0.301 327 W C 2.406 178.935 176.519 0.017 0.000 1.205 327 W CA 0.561 57.971 57.345 0.107 0.000 1.285 327 W CB -0.716 28.786 29.460 0.071 0.000 1.133 327 W HN -0.090 nan 8.180 nan 0.000 0.521 328 I N 0.341 120.998 120.570 0.144 0.000 2.208 328 I HA -0.320 3.851 4.170 0.001 0.000 0.245 328 I C 1.765 177.796 176.117 -0.143 0.000 1.097 328 I CA 1.479 62.746 61.300 -0.054 0.000 1.363 328 I CB -0.383 37.482 38.000 -0.226 0.000 1.051 328 I HN -0.003 nan 8.210 nan 0.000 0.413 329 D N 0.097 120.394 120.400 -0.170 0.000 2.301 329 D HA 0.037 4.678 4.640 0.001 0.000 0.206 329 D C 2.239 178.435 176.300 -0.174 0.000 0.979 329 D CA 0.684 54.464 54.000 -0.368 0.000 0.874 329 D CB 0.210 40.498 40.800 -0.853 0.000 0.968 329 D HN 0.285 nan 8.370 nan 0.000 0.510 330 I N 1.418 122.055 120.570 0.111 0.000 2.127 330 I HA -0.265 3.906 4.170 0.001 0.000 0.241 330 I C 1.612 177.815 176.117 0.144 0.000 1.075 330 I CA 1.426 62.848 61.300 0.204 0.000 1.334 330 I CB -0.057 38.080 38.000 0.229 0.000 1.040 330 I HN -0.170 nan 8.210 nan 0.000 0.405 331 K N 1.075 121.561 120.400 0.143 0.000 2.632 331 K HA -0.051 4.270 4.320 0.001 0.000 0.196 331 K C 0.789 177.407 176.600 0.030 0.000 1.023 331 K CA 0.376 56.723 56.287 0.100 0.000 1.098 331 K CB -0.185 32.375 32.500 0.101 0.000 0.862 331 K HN 0.472 nan 8.250 nan 0.000 0.504 332 R N -1.075 119.418 120.500 -0.011 0.000 2.563 332 R HA 0.243 4.584 4.340 0.001 0.000 0.443 332 R C 0.956 177.232 176.300 -0.039 0.000 0.956 332 R CA -0.177 55.899 56.100 -0.039 0.000 1.141 332 R CB -0.369 29.885 30.300 -0.077 0.000 1.553 332 R HN 0.008 nan 8.270 nan 0.000 0.577 333 M N 1.113 120.718 119.600 0.009 0.000 2.143 333 M HA -0.178 4.302 4.480 0.001 0.000 0.258 333 M C 0.357 176.694 176.300 0.062 0.000 1.071 333 M CA 1.950 57.285 55.300 0.058 0.000 1.088 333 M CB -0.246 32.451 32.600 0.162 0.000 1.360 333 M HN 0.157 nan 8.290 nan 0.000 0.404 334 D N 0.587 121.018 120.400 0.051 0.000 2.378 334 D HA -0.030 4.610 4.640 0.001 0.000 0.222 334 D C -0.079 176.238 176.300 0.028 0.000 0.980 334 D CA 0.762 54.790 54.000 0.048 0.000 0.907 334 D CB -0.158 40.668 40.800 0.044 0.000 0.899 334 D HN 0.360 nan 8.370 nan 0.000 0.527 335 D N -0.694 119.708 120.400 0.004 0.000 2.217 335 D HA 0.124 4.765 4.640 0.001 0.000 0.248 335 D C -1.547 174.749 176.300 -0.006 0.000 1.008 335 D CA -1.772 52.226 54.000 -0.003 0.000 0.914 335 D CB 1.431 42.220 40.800 -0.017 0.000 1.182 335 D HN -0.172 nan 8.370 nan 0.000 0.451 336 P HA -0.163 nan 4.420 nan 0.000 0.218 336 P C 0.852 178.148 177.300 -0.007 0.000 1.146 336 P CA 1.283 64.387 63.100 0.007 0.000 0.820 336 P CB 0.393 32.102 31.700 0.014 0.000 0.778 337 E N -1.616 118.572 120.200 -0.020 0.000 2.385 337 E HA -0.020 4.331 4.350 0.001 0.000 0.194 337 E C 0.824 177.389 176.600 -0.058 0.000 1.013 337 E CA 0.003 56.390 56.400 -0.021 0.000 0.866 337 E CB -0.965 28.723 29.700 -0.020 0.000 0.832 337 E HN 0.195 nan 8.360 nan 0.000 0.500 338 C N 1.825 121.053 119.300 -0.120 0.000 2.538 338 C HA -0.104 4.356 4.460 0.001 0.000 0.408 338 C C 1.816 176.667 174.990 -0.232 0.000 1.421 338 C CA -0.264 58.598 59.018 -0.259 0.000 1.642 338 C CB -0.843 26.725 27.740 -0.287 0.000 2.553 338 C HN 0.388 nan 8.230 nan 0.000 0.604 339 Y N 4.665 124.677 120.300 -0.480 0.000 2.274 339 Y HA -0.009 4.541 4.550 0.001 0.000 0.290 339 Y C 1.682 177.442 175.900 -0.233 0.000 1.145 339 Y CA 1.855 59.790 58.100 -0.276 0.000 1.203 339 Y CB -0.387 37.970 38.460 -0.172 0.000 0.984 339 Y HN 0.806 nan 8.280 nan 0.000 0.533 340 F N -0.200 119.476 119.950 -0.456 0.000 2.202 340 F HA -0.228 4.300 4.527 0.001 0.000 0.301 340 F C 1.931 177.557 175.800 -0.290 0.000 1.082 340 F CA 1.339 58.892 58.000 -0.744 0.000 1.313 340 F CB -1.426 36.819 39.000 -1.258 0.000 1.024 340 F HN 0.204 nan 8.300 nan 0.000 0.495 341 N N -0.443 118.236 118.700 -0.035 0.000 2.278 341 N HA -0.094 4.646 4.740 0.001 0.000 0.181 341 N C 1.907 177.402 175.510 -0.025 0.000 1.023 341 N CA 1.019 54.081 53.050 0.020 0.000 0.862 341 N CB -0.168 38.337 38.487 0.030 0.000 1.003 341 N HN 0.149 nan 8.380 nan 0.000 0.431 342 S N 0.993 116.645 115.700 -0.080 0.000 2.453 342 S HA -0.021 4.450 4.470 0.001 0.000 0.231 342 S C 1.898 176.425 174.600 -0.122 0.000 1.005 342 S CA 0.293 58.457 58.200 -0.060 0.000 0.949 342 S CB -0.299 62.891 63.200 -0.016 0.000 0.774 342 S HN 0.158 nan 8.310 nan 0.000 0.510 343 L N 3.325 124.351 121.223 -0.328 0.000 1.994 343 L HA 0.073 4.414 4.340 0.001 0.000 0.208 343 L C -0.994 175.844 176.870 -0.054 0.000 1.071 343 L CA 1.788 56.415 54.840 -0.356 0.000 0.745 343 L CB -1.257 40.347 42.059 -0.758 0.000 0.892 343 L HN 0.127 nan 8.230 nan 0.000 0.431 344 P HA -0.231 nan 4.420 nan 0.000 0.215 344 P C 1.445 178.886 177.300 0.235 0.000 1.153 344 P CA 1.662 64.888 63.100 0.210 0.000 0.853 344 P CB -0.139 31.657 31.700 0.161 0.000 0.788 345 K N 0.430 120.905 120.400 0.124 0.000 2.032 345 K HA -0.221 4.100 4.320 0.001 0.000 0.209 345 K C 2.158 178.803 176.600 0.075 0.000 1.048 345 K CA 1.648 57.995 56.287 0.100 0.000 0.927 345 K CB -0.373 32.164 32.500 0.062 0.000 0.712 345 K HN -0.012 nan 8.250 nan 0.000 0.441 346 E N 0.340 120.575 120.200 0.058 0.000 2.035 346 E HA -0.244 4.107 4.350 0.001 0.000 0.204 346 E C 2.047 178.690 176.600 0.072 0.000 1.025 346 E CA 2.156 58.588 56.400 0.053 0.000 0.835 346 E CB -0.167 29.561 29.700 0.046 0.000 0.764 346 E HN 0.311 nan 8.360 nan 0.000 0.457 347 L N 0.380 121.691 121.223 0.147 0.000 2.201 347 L HA -0.141 4.200 4.340 0.001 0.000 0.212 347 L C 2.506 179.369 176.870 -0.012 0.000 1.105 347 L CA 0.851 55.826 54.840 0.225 0.000 0.775 347 L CB -0.359 41.971 42.059 0.452 0.000 0.913 347 L HN 0.206 nan 8.230 nan 0.000 0.440 348 E N 0.327 120.433 120.200 -0.156 0.000 2.114 348 E HA -0.238 4.113 4.350 0.001 0.000 0.199 348 E C 2.197 178.623 176.600 -0.290 0.000 1.008 348 E CA 1.724 57.848 56.400 -0.459 0.000 0.810 348 E CB 0.070 29.661 29.700 -0.182 0.000 0.739 348 E HN 0.280 nan 8.360 nan 0.000 0.456 349 V N 0.809 120.639 119.914 -0.140 0.000 2.295 349 V HA -0.254 3.866 4.120 0.001 0.000 0.246 349 V C 2.201 178.195 176.094 -0.166 0.000 1.049 349 V CA 2.069 64.297 62.300 -0.120 0.000 1.024 349 V CB -0.369 31.422 31.823 -0.053 0.000 0.648 349 V HN 0.225 nan 8.190 nan 0.000 0.447 350 K N -0.390 119.925 120.400 -0.141 0.000 2.148 350 K HA -0.145 4.175 4.320 0.001 0.000 0.204 350 K C 2.377 178.706 176.600 -0.451 0.000 1.050 350 K CA 1.063 57.265 56.287 -0.142 0.000 0.942 350 K CB -0.182 32.359 32.500 0.068 0.000 0.724 350 K HN 0.318 nan 8.250 nan 0.000 0.446 351 R N 1.264 121.307 120.500 -0.762 0.000 2.066 351 R HA -0.152 4.189 4.340 0.001 0.000 0.232 351 R C 1.188 177.090 176.300 -0.663 0.000 1.131 351 R CA 1.926 57.254 56.100 -1.287 0.000 0.955 351 R CB -0.044 29.598 30.300 -1.098 0.000 0.851 351 R HN 0.068 nan 8.270 nan 0.000 0.432 352 D N 0.096 120.233 120.400 -0.438 0.000 2.117 352 D HA -0.169 4.471 4.640 0.001 0.000 0.197 352 D C 1.908 178.070 176.300 -0.229 0.000 0.987 352 D CA 1.049 54.881 54.000 -0.280 0.000 0.829 352 D CB -0.249 40.427 40.800 -0.206 0.000 0.961 352 D HN 0.230 nan 8.370 nan 0.000 0.460 353 R N 0.073 120.446 120.500 -0.212 0.000 2.113 353 R HA -0.160 4.181 4.340 0.001 0.000 0.244 353 R C 2.234 178.422 176.300 -0.187 0.000 1.142 353 R CA 1.461 57.466 56.100 -0.159 0.000 0.953 353 R CB -0.106 30.128 30.300 -0.110 0.000 0.860 353 R HN 0.139 nan 8.270 nan 0.000 0.438 354 M N -0.221 119.231 119.600 -0.247 0.000 2.086 354 M HA -0.171 4.309 4.480 0.001 0.000 0.261 354 M C 2.395 178.518 176.300 -0.294 0.000 1.067 354 M CA 1.334 56.476 55.300 -0.264 0.000 1.116 354 M CB -0.752 31.691 32.600 -0.262 0.000 1.348 354 M HN 0.229 nan 8.290 nan 0.000 0.407 355 V N 1.011 120.759 119.914 -0.277 0.000 2.250 355 V HA -0.373 3.747 4.120 0.001 0.000 0.253 355 V C 2.474 178.433 176.094 -0.225 0.000 1.065 355 V CA 2.185 64.352 62.300 -0.221 0.000 1.039 355 V CB -0.403 31.319 31.823 -0.168 0.000 0.647 355 V HN 0.472 nan 8.190 nan 0.000 0.446 356 R N -0.710 119.666 120.500 -0.207 0.000 2.080 356 R HA -0.146 4.194 4.340 0.001 0.000 0.236 356 R C 2.290 178.430 176.300 -0.267 0.000 1.137 356 R CA 2.089 58.075 56.100 -0.190 0.000 0.943 356 R CB -0.603 29.612 30.300 -0.141 0.000 0.846 356 R HN 0.492 nan 8.270 nan 0.000 0.431 357 L N 0.747 121.768 121.223 -0.336 0.000 2.012 357 L HA -0.224 4.117 4.340 0.001 0.000 0.210 357 L C 2.513 178.842 176.870 -0.902 0.000 1.073 357 L CA 1.334 55.839 54.840 -0.559 0.000 0.748 357 L CB -0.597 41.133 42.059 -0.549 0.000 0.891 357 L HN 0.203 nan 8.230 nan 0.000 0.431 358 L N -0.391 120.346 121.223 -0.810 0.000 2.042 358 L HA -0.227 4.114 4.340 0.001 0.000 0.210 358 L C 2.442 179.045 176.870 -0.446 0.000 1.076 358 L CA 1.110 55.517 54.840 -0.721 0.000 0.749 358 L CB -0.713 41.025 42.059 -0.535 0.000 0.893 358 L HN 0.358 nan 8.230 nan 0.000 0.432 359 N N -0.232 118.281 118.700 -0.312 0.000 2.205 359 N HA -0.183 4.558 4.740 0.001 0.000 0.186 359 N C 2.133 177.522 175.510 -0.201 0.000 1.015 359 N CA 1.619 54.550 53.050 -0.198 0.000 0.862 359 N CB -0.267 38.136 38.487 -0.140 0.000 0.986 359 N HN 0.401 nan 8.380 nan 0.000 0.429 360 S N 0.358 115.907 115.700 -0.253 0.000 2.359 360 S HA -0.120 4.351 4.470 0.001 0.000 0.223 360 S C 1.656 176.149 174.600 -0.178 0.000 1.039 360 S CA 1.497 59.584 58.200 -0.188 0.000 1.042 360 S CB -0.538 62.551 63.200 -0.186 0.000 0.915 360 S HN 0.059 nan 8.310 nan 0.000 0.439 361 V N 1.300 121.043 119.914 -0.286 0.000 3.499 361 V HA 0.456 4.577 4.120 0.001 0.000 0.308 361 V C 1.778 177.702 176.094 -0.283 0.000 1.319 361 V CA 0.365 62.466 62.300 -0.332 0.000 1.194 361 V CB -1.032 30.413 31.823 -0.630 0.000 1.072 361 V HN 0.891 nan 8.190 nan 0.000 0.426 362 G N 0.314 108.999 108.800 -0.190 0.000 2.195 362 G HA2 -0.233 3.728 3.960 0.001 0.000 0.246 362 G HA3 -0.233 3.728 3.960 0.001 0.000 0.246 362 G C 0.184 175.026 174.900 -0.097 0.000 0.984 362 G CA -0.065 44.966 45.100 -0.114 0.000 0.633 362 G HN 0.450 nan 8.290 nan 0.000 0.525 363 L N 0.579 121.711 121.223 -0.153 0.000 2.453 363 L HA 0.379 4.720 4.340 0.001 0.000 0.272 363 L C 0.814 177.652 176.870 -0.053 0.000 1.182 363 L CA -0.194 54.589 54.840 -0.096 0.000 0.858 363 L CB 0.898 42.871 42.059 -0.145 0.000 1.120 363 L HN 0.127 nan 8.230 nan 0.000 0.474 364 K N 6.631 127.057 120.400 0.044 0.000 2.257 364 K HA 0.300 4.621 4.320 0.001 0.000 0.270 364 K C -2.441 174.251 176.600 0.153 0.000 1.098 364 K CA -1.920 54.451 56.287 0.140 0.000 0.943 364 K CB 0.637 33.275 32.500 0.231 0.000 1.316 364 K HN 0.100 nan 8.250 nan 0.000 0.447 365 P HA 0.113 nan 4.420 nan 0.000 0.275 365 P C -0.438 176.819 177.300 -0.073 0.000 1.227 365 P CA -0.125 62.952 63.100 -0.039 0.000 0.781 365 P CB 0.690 32.333 31.700 -0.094 0.000 0.906 366 I N 2.804 123.201 120.570 -0.289 0.000 2.291 366 I HA 0.143 4.314 4.170 0.001 0.000 0.292 366 I C 0.974 176.977 176.117 -0.190 0.000 1.064 366 I CA -1.075 59.961 61.300 -0.441 0.000 1.269 366 I CB 1.158 38.724 38.000 -0.723 0.000 1.418 366 I HN 0.095 nan 8.210 nan 0.000 0.485 367 V N 9.065 128.924 119.914 -0.092 0.000 2.439 367 V HA 0.318 4.439 4.120 0.001 0.000 0.271 367 V C -2.120 173.968 176.094 -0.010 0.000 1.040 367 V CA -1.310 60.963 62.300 -0.045 0.000 1.002 367 V CB 0.638 32.441 31.823 -0.034 0.000 1.000 367 V HN 0.536 nan 8.190 nan 0.000 0.477 368 P HA 0.295 nan 4.420 nan 0.000 0.280 368 P C -0.103 177.257 177.300 0.099 0.000 1.244 368 P CA -0.180 62.956 63.100 0.060 0.000 0.784 368 P CB 1.115 32.909 31.700 0.157 0.000 0.913 369 D N 1.386 121.743 120.400 -0.072 0.000 2.178 369 D HA -0.023 4.618 4.640 0.001 0.000 0.201 369 D C 1.294 177.555 176.300 -0.064 0.000 0.980 369 D CA 1.527 55.370 54.000 -0.261 0.000 0.842 369 D CB -0.049 40.288 40.800 -0.772 0.000 0.948 369 D HN 0.598 nan 8.370 nan 0.000 0.472 370 G N -1.940 106.821 108.800 -0.065 0.000 2.749 370 G HA2 0.509 4.470 3.960 0.001 0.000 0.300 370 G HA3 0.509 4.470 3.960 0.001 0.000 0.300 370 G C -0.088 174.722 174.900 -0.150 0.000 1.352 370 G CA 0.047 44.995 45.100 -0.253 0.000 0.789 370 G HN 0.384 nan 8.290 nan 0.000 0.509 371 G N -1.485 107.116 108.800 -0.331 0.000 2.796 371 G HA2 0.120 4.081 3.960 0.001 0.000 0.226 371 G HA3 0.120 4.081 3.960 0.001 0.000 0.226 371 G C 0.082 174.661 174.900 -0.535 0.000 1.381 371 G CA 0.616 45.331 45.100 -0.642 0.000 0.867 371 G HN 2.150 nan 8.290 nan 0.000 0.552 372 Y N -2.794 116.971 120.300 -0.891 0.000 2.698 372 Y HA 0.714 5.264 4.550 0.001 0.000 0.261 372 Y C -0.014 174.986 175.900 -1.500 0.000 1.104 372 Y CA -1.446 55.837 58.100 -1.362 0.000 1.145 372 Y CB 0.039 37.725 38.460 -1.290 0.000 1.191 372 Y HN 0.308 nan 8.280 nan 0.000 0.564 373 F N 2.215 122.054 119.950 -0.185 0.000 2.480 373 F HA 0.563 5.091 4.527 0.001 0.000 0.329 373 F C -0.420 175.526 175.800 0.244 0.000 1.091 373 F CA -1.896 56.126 58.000 0.036 0.000 0.972 373 F CB 1.884 40.878 39.000 -0.010 0.000 1.150 373 F HN 0.044 nan 8.300 nan 0.000 0.467 374 I N 3.928 124.820 120.570 0.537 0.000 2.406 374 I HA 0.479 4.650 4.170 0.001 0.000 0.290 374 I C -1.015 175.273 176.117 0.285 0.000 0.999 374 I CA -0.377 61.133 61.300 0.350 0.000 1.124 374 I CB 0.719 38.876 38.000 0.262 0.000 1.289 374 I HN 0.459 nan 8.210 nan 0.000 0.441 375 I N 7.655 128.290 120.570 0.107 0.000 2.365 375 I HA 0.496 4.666 4.170 0.001 0.000 0.291 375 I C 0.172 176.303 176.117 0.024 0.000 1.004 375 I CA -0.315 61.016 61.300 0.052 0.000 1.311 375 I CB 1.380 39.305 38.000 -0.125 0.000 1.401 375 I HN 0.691 nan 8.210 nan 0.000 0.491 376 A N 5.868 128.769 122.820 0.136 0.000 2.355 376 A HA 0.372 4.692 4.320 0.001 0.000 0.317 376 A C -0.697 176.953 177.584 0.111 0.000 1.094 376 A CA -0.685 51.404 52.037 0.087 0.000 0.764 376 A CB 1.298 20.348 19.000 0.083 0.000 1.230 376 A HN 0.680 nan 8.150 nan 0.000 0.448 377 D N 1.468 121.955 120.400 0.145 0.000 2.345 377 D HA 0.257 4.897 4.640 0.001 0.000 0.247 377 D C 0.999 177.335 176.300 0.060 0.000 1.108 377 D CA 0.504 54.605 54.000 0.168 0.000 0.894 377 D CB 1.651 42.644 40.800 0.321 0.000 1.203 377 D HN 0.562 nan 8.370 nan 0.000 0.430 378 V N 0.749 120.648 119.914 -0.024 0.000 3.604 378 V HA 0.017 4.138 4.120 0.001 0.000 0.277 378 V C 1.998 178.069 176.094 -0.039 0.000 1.399 378 V CA 0.860 63.081 62.300 -0.131 0.000 1.034 378 V CB -0.295 31.181 31.823 -0.579 0.000 0.824 378 V HN 0.562 nan 8.190 nan 0.000 0.439 379 S N 2.867 118.543 115.700 -0.040 0.000 2.389 379 S HA -0.238 4.232 4.470 0.001 0.000 0.231 379 S C 1.643 176.229 174.600 -0.024 0.000 1.052 379 S CA 1.943 60.091 58.200 -0.086 0.000 1.053 379 S CB -1.419 61.711 63.200 -0.117 0.000 0.886 379 S HN 1.410 nan 8.310 nan 0.000 0.456 380 S N 0.437 116.136 115.700 -0.002 0.000 4.085 380 S HA 0.478 4.949 4.470 0.001 0.000 0.189 380 S C 0.304 174.932 174.600 0.047 0.000 1.392 380 S CA -0.540 57.667 58.200 0.012 0.000 0.972 380 S CB -0.100 63.101 63.200 0.002 0.000 1.482 380 S HN 0.382 nan 8.310 nan 0.000 0.446 381 L N 0.768 122.040 121.223 0.081 0.000 3.195 381 L HA 0.427 4.767 4.340 0.001 0.000 0.290 381 L C 1.414 178.347 176.870 0.105 0.000 1.092 381 L CA 0.714 55.632 54.840 0.130 0.000 1.094 381 L CB -0.286 41.914 42.059 0.235 0.000 1.743 381 L HN 0.634 nan 8.230 nan 0.000 0.579 382 G N 1.613 110.469 108.800 0.093 0.000 2.393 382 G HA2 -0.184 3.776 3.960 0.001 0.000 0.299 382 G HA3 -0.184 3.776 3.960 0.001 0.000 0.299 382 G C 0.613 175.534 174.900 0.034 0.000 0.990 382 G CA 0.422 45.567 45.100 0.076 0.000 1.118 382 G HN 0.624 nan 8.290 nan 0.000 0.513 383 A N -0.244 122.585 122.820 0.015 0.000 2.521 383 A HA 0.409 4.729 4.320 0.001 0.000 0.237 383 A C 0.864 178.213 177.584 -0.392 0.000 1.087 383 A CA 0.868 52.696 52.037 -0.348 0.000 0.777 383 A CB 0.273 18.883 19.000 -0.651 0.000 1.035 383 A HN 0.680 nan 8.150 nan 0.000 0.510 384 D N 0.576 120.616 120.400 -0.601 0.000 3.072 384 D HA 0.323 4.964 4.640 0.001 0.000 0.250 384 D C -0.263 175.815 176.300 -0.370 0.000 1.304 384 D CA -0.169 53.638 54.000 -0.322 0.000 0.861 384 D CB -0.480 40.247 40.800 -0.123 0.000 1.062 384 D HN 0.468 nan 8.370 nan 0.000 0.481 385 L N -1.453 119.494 121.223 -0.461 0.000 2.638 385 L HA 0.173 4.514 4.340 0.001 0.000 0.273 385 L C 1.050 177.860 176.870 -0.099 0.000 1.147 385 L CA -0.186 54.528 54.840 -0.209 0.000 0.941 385 L CB 0.510 42.430 42.059 -0.232 0.000 1.251 385 L HN -0.032 nan 8.230 nan 0.000 0.479 386 S N 0.621 116.294 115.700 -0.046 0.000 2.524 386 S HA 0.061 4.532 4.470 0.001 0.000 0.222 386 S C 0.526 175.126 174.600 0.000 0.000 1.040 386 S CA 0.015 58.210 58.200 -0.009 0.000 0.915 386 S CB 0.329 63.530 63.200 0.002 0.000 0.831 386 S HN 0.917 nan 8.310 nan 0.000 0.492 387 D N 1.059 121.460 120.400 0.003 0.000 2.837 387 D HA 0.208 4.849 4.640 0.001 0.000 0.340 387 D C -0.692 175.624 176.300 0.026 0.000 1.451 387 D CA -0.162 53.848 54.000 0.016 0.000 0.798 387 D CB -0.365 40.449 40.800 0.023 0.000 1.169 387 D HN 0.309 nan 8.370 nan 0.000 0.449 388 M N 0.524 120.137 119.600 0.022 0.000 2.143 388 M HA 0.255 4.736 4.480 0.001 0.000 0.348 388 M C 0.480 176.787 176.300 0.012 0.000 1.375 388 M CA -0.065 55.248 55.300 0.022 0.000 1.124 388 M CB 0.432 33.049 32.600 0.028 0.000 1.669 388 M HN -0.219 nan 8.290 nan 0.000 0.469 389 N N 0.382 119.089 118.700 0.011 0.000 2.268 389 N HA 0.033 4.774 4.740 0.001 0.000 0.204 389 N C 0.242 175.752 175.510 0.000 0.000 1.124 389 N CA -0.307 52.747 53.050 0.007 0.000 0.838 389 N CB 0.445 38.936 38.487 0.007 0.000 0.994 389 N HN 0.727 nan 8.380 nan 0.000 0.489 390 S N 0.566 116.265 115.700 -0.002 0.000 2.596 390 S HA -0.039 4.432 4.470 0.001 0.000 0.260 390 S C 0.900 175.486 174.600 -0.023 0.000 1.336 390 S CA -0.319 57.872 58.200 -0.015 0.000 0.993 390 S CB 0.676 63.864 63.200 -0.020 0.000 0.923 390 S HN 0.307 nan 8.310 nan 0.000 0.567 391 D N -0.421 119.955 120.400 -0.040 0.000 2.319 391 D HA 0.058 4.699 4.640 0.001 0.000 0.230 391 D C 0.015 176.264 176.300 -0.085 0.000 1.094 391 D CA -0.170 53.800 54.000 -0.050 0.000 0.856 391 D CB -0.481 40.289 40.800 -0.050 0.000 0.915 391 D HN 0.593 nan 8.370 nan 0.000 0.517 392 E N 1.809 121.943 120.200 -0.110 0.000 2.459 392 E HA 0.047 4.398 4.350 0.001 0.000 0.264 392 E C -1.990 174.545 176.600 -0.107 0.000 1.055 392 E CA -0.867 55.419 56.400 -0.190 0.000 0.957 392 E CB -0.204 29.411 29.700 -0.141 0.000 0.952 392 E HN 0.219 nan 8.360 nan 0.000 0.448 393 P HA -0.059 nan 4.420 nan 0.000 0.272 393 P C 0.480 177.873 177.300 0.155 0.000 1.223 393 P CA -0.035 63.090 63.100 0.041 0.000 0.784 393 P CB 0.296 32.039 31.700 0.072 0.000 0.923 394 Y N 2.777 123.123 120.300 0.077 0.000 2.062 394 Y HA -0.395 4.156 4.550 0.001 0.000 0.273 394 Y C 1.936 177.952 175.900 0.193 0.000 1.206 394 Y CA 2.884 61.050 58.100 0.110 0.000 1.125 394 Y CB -0.614 37.891 38.460 0.075 0.000 0.951 394 Y HN 0.468 nan 8.280 nan 0.000 0.501 395 D N -1.776 118.816 120.400 0.320 0.000 2.144 395 D HA -0.257 4.384 4.640 0.001 0.000 0.199 395 D C 1.965 178.420 176.300 0.258 0.000 0.984 395 D CA 1.774 55.937 54.000 0.273 0.000 0.834 395 D CB -1.401 39.542 40.800 0.238 0.000 0.955 395 D HN 0.579 nan 8.370 nan 0.000 0.465 396 Y N 1.229 121.572 120.300 0.072 0.000 2.097 396 Y HA -0.184 4.367 4.550 0.001 0.000 0.282 396 Y C 2.590 178.517 175.900 0.045 0.000 1.152 396 Y CA 1.544 59.681 58.100 0.062 0.000 1.136 396 Y CB -0.124 38.369 38.460 0.055 0.000 0.975 396 Y HN -0.107 nan 8.280 nan 0.000 0.498 397 K N -0.407 120.102 120.400 0.181 0.000 2.020 397 K HA -0.266 4.054 4.320 0.001 0.000 0.212 397 K C 1.923 178.546 176.600 0.039 0.000 1.050 397 K CA 2.097 58.414 56.287 0.050 0.000 0.929 397 K CB -0.670 31.788 32.500 -0.071 0.000 0.714 397 K HN 0.209 nan 8.250 nan 0.000 0.443 398 F N 1.509 121.354 119.950 -0.175 0.000 2.091 398 F HA -0.296 4.231 4.527 0.001 0.000 0.299 398 F C 1.972 177.876 175.800 0.173 0.000 1.103 398 F CA 1.419 59.395 58.000 -0.040 0.000 1.228 398 F CB -0.186 38.778 39.000 -0.061 0.000 0.984 398 F HN -0.229 nan 8.300 nan 0.000 0.477 399 V N 0.400 120.468 119.914 0.257 0.000 2.358 399 V HA -0.295 3.825 4.120 0.001 0.000 0.246 399 V C 2.327 178.422 176.094 0.001 0.000 1.047 399 V CA 2.115 64.478 62.300 0.104 0.000 1.035 399 V CB -0.721 31.084 31.823 -0.031 0.000 0.658 399 V HN 0.280 nan 8.190 nan 0.000 0.452 400 K N -1.050 119.373 120.400 0.039 0.000 2.020 400 K HA -0.290 4.031 4.320 0.001 0.000 0.212 400 K C 1.948 178.573 176.600 0.041 0.000 1.050 400 K CA 2.397 58.708 56.287 0.040 0.000 0.929 400 K CB -0.410 32.139 32.500 0.082 0.000 0.714 400 K HN 0.602 nan 8.250 nan 0.000 0.443 401 W N 1.531 122.735 121.300 -0.160 0.000 2.335 401 W HA -0.217 4.443 4.660 0.001 0.000 0.311 401 W C 2.114 178.498 176.519 -0.224 0.000 1.213 401 W CA 1.642 58.870 57.345 -0.195 0.000 1.274 401 W CB -0.271 28.971 29.460 -0.364 0.000 1.148 401 W HN 0.009 nan 8.180 nan 0.000 0.498 402 M N 0.031 119.448 119.600 -0.306 0.000 2.279 402 M HA -0.206 4.275 4.480 0.001 0.000 0.264 402 M C 1.707 177.775 176.300 -0.387 0.000 1.062 402 M CA 2.091 57.091 55.300 -0.501 0.000 1.099 402 M CB -0.386 32.102 32.600 -0.187 0.000 1.394 402 M HN -0.041 nan 8.290 nan 0.000 0.426 403 T N 0.151 114.562 114.554 -0.240 0.000 2.732 403 T HA -0.125 4.226 4.350 0.001 0.000 0.261 403 T C 1.825 176.387 174.700 -0.229 0.000 1.040 403 T CA 1.027 63.014 62.100 -0.188 0.000 1.145 403 T CB -0.085 68.714 68.868 -0.115 0.000 0.866 403 T HN 0.351 nan 8.240 nan 0.000 0.427 404 K N 0.125 120.390 120.400 -0.225 0.000 2.025 404 K HA -0.093 4.228 4.320 0.001 0.000 0.207 404 K C 2.229 178.573 176.600 -0.426 0.000 1.049 404 K CA 1.276 57.401 56.287 -0.270 0.000 0.933 404 K CB -0.142 32.234 32.500 -0.208 0.000 0.714 404 K HN 0.532 nan 8.250 nan 0.000 0.438 405 H N -0.859 117.850 119.070 -0.601 0.000 2.384 405 H HA 0.021 4.577 4.556 0.001 0.000 0.300 405 H C 1.593 176.519 175.328 -0.670 0.000 1.057 405 H CA 0.962 56.600 56.048 -0.683 0.000 1.370 405 H CB 0.495 29.628 29.762 -1.047 0.000 1.417 405 H HN -0.035 nan 8.280 nan 0.000 0.527 406 K N 0.192 120.203 120.400 -0.647 0.000 2.354 406 K HA 0.053 4.374 4.320 0.001 0.000 0.194 406 K C 0.499 176.848 176.600 -0.418 0.000 1.045 406 K CA 0.092 55.975 56.287 -0.673 0.000 1.026 406 K CB 0.667 32.572 32.500 -0.992 0.000 0.866 406 K HN -0.056 nan 8.250 nan 0.000 0.530 407 K N -0.944 119.259 120.400 -0.329 0.000 3.434 407 K HA -0.136 4.185 4.320 0.001 0.000 0.303 407 K C -1.059 175.446 176.600 -0.159 0.000 1.351 407 K CA 0.424 56.581 56.287 -0.218 0.000 0.900 407 K CB -1.728 30.656 32.500 -0.194 0.000 1.385 407 K HN 0.152 nan 8.250 nan 0.000 0.477 408 L N 0.770 121.903 121.223 -0.150 0.000 2.381 408 L HA 0.561 4.902 4.340 0.001 0.000 0.274 408 L C 0.052 176.902 176.870 -0.034 0.000 0.988 408 L CA -0.044 54.761 54.840 -0.059 0.000 0.824 408 L CB 1.625 43.669 42.059 -0.026 0.000 1.263 408 L HN 0.227 nan 8.230 nan 0.000 0.410 409 T N 2.140 116.673 114.554 -0.035 0.000 2.918 409 T HA 0.958 5.308 4.350 0.001 0.000 0.283 409 T C -0.103 174.524 174.700 -0.122 0.000 1.001 409 T CA -0.074 61.979 62.100 -0.078 0.000 1.041 409 T CB 1.811 70.622 68.868 -0.095 0.000 1.028 409 T HN 0.955 nan 8.240 nan 0.000 0.511 410 A N 1.284 123.957 122.820 -0.244 0.000 2.588 410 A HA 0.701 5.021 4.320 0.001 0.000 0.290 410 A C -1.430 175.913 177.584 -0.402 0.000 1.136 410 A CA -1.006 50.779 52.037 -0.421 0.000 0.681 410 A CB 1.232 19.697 19.000 -0.891 0.000 1.282 410 A HN 0.763 nan 8.150 nan 0.000 0.421 411 I N 1.807 122.154 120.570 -0.372 0.000 2.378 411 I HA 0.378 4.548 4.170 0.001 0.000 0.291 411 I C -2.379 173.568 176.117 -0.283 0.000 0.992 411 I CA -2.196 58.846 61.300 -0.429 0.000 1.154 411 I CB 1.314 39.182 38.000 -0.219 0.000 1.315 411 I HN 0.332 nan 8.210 nan 0.000 0.448 412 P HA 0.074 nan 4.420 nan 0.000 0.271 412 P C 0.853 178.143 177.300 -0.018 0.000 1.216 412 P CA -0.043 62.971 63.100 -0.145 0.000 0.776 412 P CB 1.406 32.974 31.700 -0.221 0.000 0.881 413 V N 2.163 122.124 119.914 0.078 0.000 3.129 413 V HA -0.132 3.989 4.120 0.001 0.000 0.259 413 V C 2.315 178.466 176.094 0.094 0.000 1.116 413 V CA 2.142 64.534 62.300 0.152 0.000 1.127 413 V CB -1.147 30.698 31.823 0.037 0.000 0.742 413 V HN 0.678 nan 8.190 nan 0.000 0.474 414 S N 0.980 116.733 115.700 0.089 0.000 2.595 414 S HA 0.015 4.486 4.470 0.001 0.000 0.235 414 S C 1.805 176.372 174.600 -0.055 0.000 0.974 414 S CA 0.889 59.129 58.200 0.066 0.000 0.942 414 S CB -0.209 63.088 63.200 0.162 0.000 0.766 414 S HN 0.529 nan 8.310 nan 0.000 0.536 415 A N 0.278 122.980 122.820 -0.196 0.000 2.206 415 A HA 0.374 4.695 4.320 0.001 0.000 0.211 415 A C 0.869 177.945 177.584 -0.846 0.000 1.158 415 A CA 0.230 51.957 52.037 -0.516 0.000 0.761 415 A CB -0.589 17.955 19.000 -0.760 0.000 0.801 415 A HN 0.594 nan 8.150 nan 0.000 0.473 416 F N -1.123 118.577 119.950 -0.416 0.000 2.772 416 F HA 0.327 4.855 4.527 0.001 0.000 0.302 416 F C 0.094 175.230 175.800 -1.107 0.000 1.136 416 F CA -0.637 56.949 58.000 -0.690 0.000 1.322 416 F CB 0.254 38.948 39.000 -0.510 0.000 0.967 416 F HN 0.019 nan 8.300 nan 0.000 0.513 417 C N 1.222 120.099 119.300 -0.704 0.000 2.686 417 C HA 0.318 4.778 4.460 0.001 0.000 0.318 417 C C -0.328 174.473 174.990 -0.314 0.000 1.160 417 C CA -1.411 57.297 59.018 -0.517 0.000 1.396 417 C CB 1.164 28.787 27.740 -0.196 0.000 1.924 417 C HN 0.504 nan 8.230 nan 0.000 0.471 418 D N 1.869 122.102 120.400 -0.277 0.000 2.357 418 D HA 0.094 4.735 4.640 0.001 0.000 0.242 418 D C 0.919 177.120 176.300 -0.164 0.000 1.153 418 D CA -0.101 53.714 54.000 -0.308 0.000 0.918 418 D CB 0.932 41.129 40.800 -1.004 0.000 1.181 418 D HN 0.459 nan 8.370 nan 0.000 0.435 419 S N 1.094 116.740 115.700 -0.089 0.000 2.422 419 S HA -0.258 4.213 4.470 0.001 0.000 0.248 419 S C 1.649 176.249 174.600 -0.001 0.000 1.069 419 S CA 1.496 59.676 58.200 -0.033 0.000 1.214 419 S CB -0.288 62.909 63.200 -0.006 0.000 1.122 419 S HN 0.561 nan 8.310 nan 0.000 0.432 420 K N 0.888 121.304 120.400 0.026 0.000 2.362 420 K HA -0.005 4.315 4.320 0.001 0.000 0.202 420 K C 1.937 178.625 176.600 0.148 0.000 1.045 420 K CA 1.121 57.458 56.287 0.083 0.000 0.936 420 K CB -0.289 32.280 32.500 0.116 0.000 0.747 420 K HN 0.315 nan 8.250 nan 0.000 0.467 421 S N 0.382 116.164 115.700 0.136 0.000 2.502 421 S HA 0.082 4.553 4.470 0.001 0.000 0.215 421 S C 1.443 176.218 174.600 0.291 0.000 1.009 421 S CA -0.078 58.301 58.200 0.299 0.000 0.908 421 S CB 0.334 63.709 63.200 0.291 0.000 0.801 421 S HN 0.222 nan 8.310 nan 0.000 0.505 422 K N 1.847 122.321 120.400 0.124 0.000 2.020 422 K HA -0.114 4.207 4.320 0.001 0.000 0.212 422 K C -0.982 175.656 176.600 0.064 0.000 1.050 422 K CA 1.544 57.892 56.287 0.102 0.000 0.929 422 K CB -1.832 30.683 32.500 0.025 0.000 0.714 422 K HN 0.279 nan 8.250 nan 0.000 0.443 423 P HA -0.131 nan 4.420 nan 0.000 0.218 423 P C 0.839 177.941 177.300 -0.329 0.000 1.148 423 P CA 1.219 64.175 63.100 -0.239 0.000 0.822 423 P CB -0.127 31.357 31.700 -0.361 0.000 0.784 424 H N -3.160 115.889 119.070 -0.034 0.000 2.547 424 H HA 0.180 4.737 4.556 0.001 0.000 0.266 424 H C 0.577 175.648 175.328 -0.429 0.000 0.988 424 H CA 0.777 56.691 56.048 -0.222 0.000 1.147 424 H CB -0.183 29.392 29.762 -0.312 0.000 1.365 424 H HN 0.256 nan 8.280 nan 0.000 0.589 425 F N -0.338 119.697 119.950 0.141 0.000 2.915 425 F HA 0.092 4.619 4.527 0.001 0.000 0.347 425 F C 1.791 177.645 175.800 0.090 0.000 1.104 425 F CA -0.321 57.753 58.000 0.123 0.000 1.126 425 F CB 0.545 39.598 39.000 0.087 0.000 1.145 425 F HN 0.128 nan 8.300 nan 0.000 0.541 426 E N 0.105 120.436 120.200 0.217 0.000 2.511 426 E HA -0.030 4.320 4.350 0.001 0.000 0.196 426 E C 1.104 177.834 176.600 0.218 0.000 1.066 426 E CA 0.570 57.094 56.400 0.206 0.000 0.871 426 E CB -0.110 29.693 29.700 0.171 0.000 0.863 426 E HN 0.107 nan 8.360 nan 0.000 0.520 427 K N 0.793 121.279 120.400 0.144 0.000 2.404 427 K HA 0.209 4.530 4.320 0.001 0.000 0.194 427 K C 0.322 176.997 176.600 0.126 0.000 1.023 427 K CA 0.117 56.468 56.287 0.106 0.000 1.094 427 K CB 0.375 32.846 32.500 -0.047 0.000 0.841 427 K HN 0.250 nan 8.250 nan 0.000 0.523 428 L N 0.834 122.156 121.223 0.164 0.000 2.343 428 L HA 0.418 4.759 4.340 0.001 0.000 0.275 428 L C -0.197 176.729 176.870 0.092 0.000 1.056 428 L CA -0.930 53.991 54.840 0.135 0.000 0.804 428 L CB 1.711 43.871 42.059 0.169 0.000 1.203 428 L HN -0.340 nan 8.230 nan 0.000 0.440 429 V N 2.416 122.381 119.914 0.085 0.000 2.851 429 V HA 0.460 4.581 4.120 0.001 0.000 0.307 429 V C -0.641 175.517 176.094 0.106 0.000 1.129 429 V CA -0.682 61.650 62.300 0.054 0.000 0.932 429 V CB 2.576 34.427 31.823 0.047 0.000 1.024 429 V HN 0.730 nan 8.190 nan 0.000 0.426 430 R N 2.929 123.414 120.500 -0.025 0.000 2.589 430 R HA 0.741 5.082 4.340 0.001 0.000 0.293 430 R C -2.005 174.317 176.300 0.036 0.000 0.963 430 R CA -0.325 55.828 56.100 0.088 0.000 0.905 430 R CB 1.488 31.776 30.300 -0.020 0.000 1.144 430 R HN 0.534 nan 8.270 nan 0.000 0.459 431 F N 1.914 121.998 119.950 0.222 0.000 2.563 431 F HA 0.449 4.977 4.527 0.002 0.000 0.316 431 F C -0.132 175.913 175.800 0.408 0.000 1.076 431 F CA -0.673 57.500 58.000 0.287 0.000 0.921 431 F CB 1.815 40.985 39.000 0.284 0.000 1.209 431 F HN 0.443 nan 8.300 nan 0.000 0.462 432 C N 3.517 123.155 119.300 0.563 0.000 2.411 432 C HA 0.674 5.134 4.460 0.001 0.000 0.330 432 C C 0.352 175.489 174.990 0.246 0.000 1.224 432 C CA -0.626 58.611 59.018 0.365 0.000 1.770 432 C CB -0.455 27.480 27.740 0.325 0.000 2.297 432 C HN 0.809 nan 8.230 nan 0.000 0.507 433 F N 3.043 123.016 119.950 0.038 0.000 2.772 433 F HA 0.442 4.970 4.527 0.001 0.000 0.316 433 F C 0.385 176.137 175.800 -0.080 0.000 1.114 433 F CA -0.584 57.423 58.000 0.012 0.000 1.191 433 F CB -0.703 38.316 39.000 0.032 0.000 1.065 433 F HN 0.339 nan 8.300 nan 0.000 0.534 434 I N 2.985 123.300 120.570 -0.424 0.000 2.872 434 I HA 0.041 4.212 4.170 0.001 0.000 0.278 434 I C -0.298 175.724 176.117 -0.158 0.000 1.005 434 I CA 0.440 61.505 61.300 -0.393 0.000 2.196 434 I CB -0.932 36.556 38.000 -0.853 0.000 1.438 434 I HN 0.023 nan 8.210 nan 0.000 0.935 435 K N 3.363 123.762 120.400 -0.002 0.000 2.281 435 K HA 0.428 4.749 4.320 0.001 0.000 0.242 435 K C -0.300 176.332 176.600 0.055 0.000 0.971 435 K CA -0.824 55.489 56.287 0.043 0.000 0.834 435 K CB 1.142 33.700 32.500 0.097 0.000 1.181 435 K HN 0.168 nan 8.250 nan 0.000 0.435 436 K N 0.135 120.565 120.400 0.051 0.000 2.120 436 K HA 0.154 4.475 4.320 0.001 0.000 0.245 436 K C -0.023 176.611 176.600 0.056 0.000 1.024 436 K CA -0.443 55.872 56.287 0.047 0.000 0.906 436 K CB 0.471 32.995 32.500 0.040 0.000 1.051 436 K HN 0.209 nan 8.250 nan 0.000 0.491 437 D N 0.847 121.276 120.400 0.047 0.000 2.116 437 D HA -0.210 4.430 4.640 0.001 0.000 0.193 437 D C 2.085 178.414 176.300 0.049 0.000 0.998 437 D CA 2.255 56.282 54.000 0.046 0.000 0.836 437 D CB -0.387 40.434 40.800 0.036 0.000 0.951 437 D HN 0.709 nan 8.370 nan 0.000 0.449 438 S N -0.821 114.905 115.700 0.045 0.000 2.383 438 S HA -0.182 4.289 4.470 0.001 0.000 0.229 438 S C 2.038 176.669 174.600 0.051 0.000 1.030 438 S CA 1.846 60.071 58.200 0.042 0.000 1.002 438 S CB -0.710 62.512 63.200 0.037 0.000 0.829 438 S HN 0.164 nan 8.310 nan 0.000 0.467 439 T N 2.833 117.424 114.554 0.061 0.000 2.770 439 T HA 0.194 4.545 4.350 0.001 0.000 0.263 439 T C 1.761 176.513 174.700 0.087 0.000 1.039 439 T CA 1.369 63.513 62.100 0.073 0.000 1.142 439 T CB -0.487 68.432 68.868 0.084 0.000 0.868 439 T HN 0.338 nan 8.240 nan 0.000 0.435 440 L N 1.118 122.397 121.223 0.094 0.000 2.079 440 L HA -0.147 4.194 4.340 0.001 0.000 0.210 440 L C 2.412 179.344 176.870 0.103 0.000 1.081 440 L CA 1.079 55.985 54.840 0.110 0.000 0.752 440 L CB -0.811 41.306 42.059 0.097 0.000 0.896 440 L HN 0.187 nan 8.230 nan 0.000 0.433 441 D N 0.809 121.255 120.400 0.076 0.000 2.137 441 D HA -0.247 4.394 4.640 0.001 0.000 0.189 441 D C 2.254 178.596 176.300 0.069 0.000 0.998 441 D CA 1.828 55.868 54.000 0.068 0.000 0.839 441 D CB -0.330 40.500 40.800 0.049 0.000 0.962 441 D HN 0.324 nan 8.370 nan 0.000 0.446 442 A N 0.891 123.744 122.820 0.055 0.000 1.948 442 A HA -0.144 4.177 4.320 0.001 0.000 0.220 442 A C 2.305 179.909 177.584 0.034 0.000 1.177 442 A CA 2.802 54.861 52.037 0.037 0.000 0.636 442 A CB -0.838 18.177 19.000 0.026 0.000 0.815 442 A HN 0.281 nan 8.150 nan 0.000 0.449 443 A N -0.660 122.201 122.820 0.069 0.000 1.898 443 A HA -0.136 4.185 4.320 0.001 0.000 0.216 443 A C 2.000 179.667 177.584 0.138 0.000 1.181 443 A CA 1.739 53.816 52.037 0.066 0.000 0.620 443 A CB -0.509 18.600 19.000 0.181 0.000 0.819 443 A HN 0.673 nan 8.150 nan 0.000 0.442 444 E N -0.032 120.286 120.200 0.196 0.000 2.058 444 E HA -0.249 4.102 4.350 0.001 0.000 0.194 444 E C 1.898 178.604 176.600 0.177 0.000 0.997 444 E CA 1.588 58.125 56.400 0.228 0.000 0.801 444 E CB -0.152 29.636 29.700 0.147 0.000 0.746 444 E HN 0.737 nan 8.360 nan 0.000 0.450 445 E N 0.237 120.498 120.200 0.101 0.000 2.049 445 E HA -0.226 4.124 4.350 0.001 0.000 0.198 445 E C 2.192 178.839 176.600 0.077 0.000 1.007 445 E CA 1.569 58.015 56.400 0.077 0.000 0.809 445 E CB -0.201 29.523 29.700 0.040 0.000 0.749 445 E HN 0.335 nan 8.360 nan 0.000 0.450 446 I N 0.278 120.855 120.570 0.012 0.000 2.145 446 I HA -0.316 3.855 4.170 0.001 0.000 0.244 446 I C 2.014 178.182 176.117 0.084 0.000 1.075 446 I CA 1.329 62.594 61.300 -0.057 0.000 1.332 446 I CB -0.252 37.626 38.000 -0.202 0.000 1.033 446 I HN 0.071 nan 8.210 nan 0.000 0.410 447 F N 0.273 120.382 119.950 0.265 0.000 2.186 447 F HA -0.095 4.433 4.527 0.001 0.000 0.299 447 F C 2.607 178.553 175.800 0.244 0.000 1.090 447 F CA 1.196 59.388 58.000 0.320 0.000 1.307 447 F CB -0.573 38.516 39.000 0.148 0.000 1.019 447 F HN -0.122 nan 8.300 nan 0.000 0.489 448 R N -0.271 120.426 120.500 0.327 0.000 2.148 448 R HA 0.037 4.378 4.340 0.001 0.000 0.223 448 R C 1.644 178.059 176.300 0.192 0.000 1.088 448 R CA 0.957 57.186 56.100 0.215 0.000 0.985 448 R CB -0.371 30.017 30.300 0.146 0.000 0.880 448 R HN 0.190 nan 8.270 nan 0.000 0.451 449 A N -0.138 122.791 122.820 0.182 0.000 2.462 449 A HA -0.027 4.294 4.320 0.001 0.000 0.261 449 A C 1.197 178.894 177.584 0.188 0.000 1.323 449 A CA -0.510 51.610 52.037 0.138 0.000 0.913 449 A CB -0.535 18.501 19.000 0.060 0.000 1.028 449 A HN 0.456 nan 8.150 nan 0.000 0.511 450 W N 0.834 122.188 121.300 0.091 0.000 2.381 450 W HA 0.019 4.680 4.660 0.001 0.000 0.301 450 W C 0.131 176.714 176.519 0.107 0.000 1.205 450 W CA 1.265 58.675 57.345 0.108 0.000 1.285 450 W CB -0.068 29.507 29.460 0.191 0.000 1.133 450 W HN 0.434 nan 8.180 nan 0.000 0.521 451 N N 0.000 118.935 118.700 0.391 0.000 1.763 451 N HA 0.000 4.741 4.740 0.001 0.000 0.220 451 N CA 0.000 53.210 53.050 0.266 0.000 0.885 451 N CB 0.000 38.658 38.487 0.285 0.000 1.341 451 N HN 0.000 nan 8.380 nan 0.000 0.667