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 3e2y_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 RTITIGSAGK 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 0.000 175.518 175.510 0.013 0.000 1.280 42 N CA 0.000 53.057 53.050 0.011 0.000 0.885 42 N CB 0.000 38.494 38.487 0.011 0.000 1.341 43 A N 1.652 124.482 122.820 0.018 0.000 2.498 43 A HA 0.225 4.531 4.320 -0.025 0.000 0.239 43 A C 1.070 178.666 177.584 0.020 0.000 1.068 43 A CA -0.210 51.839 52.037 0.020 0.000 0.766 43 A CB 0.206 19.221 19.000 0.025 0.000 1.003 43 A HN 0.800 nan 8.150 nan 0.000 0.497 44 K N 1.064 121.474 120.400 0.017 0.000 2.113 44 K HA -0.230 4.075 4.320 -0.025 0.000 0.208 44 K C 2.038 178.651 176.600 0.020 0.000 1.047 44 K CA 1.959 58.255 56.287 0.016 0.000 0.928 44 K CB -0.199 32.307 32.500 0.011 0.000 0.716 44 K HN 0.855 nan 8.250 nan 0.000 0.446 45 R N 1.578 122.094 120.500 0.026 0.000 2.200 45 R HA -0.120 4.206 4.340 -0.025 0.000 0.234 45 R C 1.806 178.132 176.300 0.044 0.000 1.127 45 R CA 1.632 57.753 56.100 0.034 0.000 0.989 45 R CB -0.751 29.575 30.300 0.043 0.000 0.869 45 R HN 0.381 nan 8.270 nan 0.000 0.459 46 I N -1.146 119.448 120.570 0.041 0.000 3.914 46 I HA 0.303 4.458 4.170 -0.025 0.000 0.333 46 I C -0.232 175.903 176.117 0.030 0.000 1.449 46 I CA -0.856 60.469 61.300 0.042 0.000 1.135 46 I CB 0.228 38.254 38.000 0.043 0.000 1.073 46 I HN -0.140 nan 8.210 nan 0.000 0.401 47 E N 2.549 122.764 120.200 0.025 0.000 2.417 47 E HA 0.306 4.641 4.350 -0.025 0.000 0.261 47 E C 1.358 177.970 176.600 0.019 0.000 1.000 47 E CA 0.910 57.321 56.400 0.018 0.000 0.919 47 E CB 0.442 30.151 29.700 0.015 0.000 0.955 47 E HN 0.540 nan 8.360 nan 0.000 0.455 48 G N 3.992 112.800 108.800 0.013 0.000 2.155 48 G HA2 -0.262 3.683 3.960 -0.025 0.000 0.257 48 G HA3 -0.262 3.683 3.960 -0.025 0.000 0.257 48 G C 0.533 175.442 174.900 0.015 0.000 0.983 48 G CA 0.574 45.681 45.100 0.011 0.000 0.676 48 G HN 0.507 nan 8.290 nan 0.000 0.528 49 L N 0.801 122.037 121.223 0.022 0.000 2.769 49 L HA 0.238 4.563 4.340 -0.025 0.000 0.240 49 L C 1.801 178.684 176.870 0.021 0.000 1.163 49 L CA 0.529 55.389 54.840 0.032 0.000 0.962 49 L CB 0.107 42.198 42.059 0.053 0.000 1.258 49 L HN 0.366 nan 8.230 nan 0.000 0.513 50 D N -0.695 119.709 120.400 0.006 0.000 2.348 50 D HA -0.053 4.572 4.640 -0.025 0.000 0.211 50 D C 0.773 177.060 176.300 -0.021 0.000 0.998 50 D CA 0.150 54.148 54.000 -0.004 0.000 0.873 50 D CB 0.154 40.950 40.800 -0.006 0.000 0.925 50 D HN 0.260 nan 8.370 nan 0.000 0.524 51 S N 0.082 115.763 115.700 -0.032 0.000 2.562 51 S HA 0.421 4.876 4.470 -0.025 0.000 0.275 51 S C -0.388 174.166 174.600 -0.076 0.000 1.281 51 S CA -0.945 57.216 58.200 -0.064 0.000 1.045 51 S CB 1.289 64.442 63.200 -0.078 0.000 0.962 51 S HN 0.208 nan 8.310 nan 0.000 0.503 52 N N 0.595 119.224 118.700 -0.118 0.000 2.397 52 N HA 0.312 5.037 4.740 -0.025 0.000 0.291 52 N C 0.688 176.008 175.510 -0.317 0.000 1.065 52 N CA -0.572 52.395 53.050 -0.139 0.000 0.884 52 N CB 1.882 40.351 38.487 -0.030 0.000 1.551 52 N HN 0.503 nan 8.380 nan 0.000 0.487 53 V N 1.836 121.429 119.914 -0.536 0.000 2.332 53 V HA -0.144 3.961 4.120 -0.025 0.000 0.248 53 V C 1.331 176.721 176.094 -1.173 0.000 1.055 53 V CA 1.394 63.077 62.300 -1.029 0.000 1.038 53 V CB -0.984 30.116 31.823 -1.205 0.000 0.651 53 V HN 0.776 nan 8.190 nan 0.000 0.450 54 W N 0.142 121.252 121.300 -0.316 0.000 2.381 54 W HA 0.039 4.684 4.660 -0.024 0.000 0.301 54 W C 2.590 179.045 176.519 -0.106 0.000 1.205 54 W CA 1.229 58.512 57.345 -0.104 0.000 1.285 54 W CB -0.896 28.585 29.460 0.034 0.000 1.133 54 W HN 0.071 nan 8.180 nan 0.000 0.521 55 V N 1.043 120.987 119.914 0.050 0.000 2.287 55 V HA -0.329 3.776 4.120 -0.025 0.000 0.248 55 V C 2.018 178.055 176.094 -0.096 0.000 1.053 55 V CA 2.233 64.526 62.300 -0.011 0.000 1.027 55 V CB -0.984 30.824 31.823 -0.025 0.000 0.646 55 V HN 0.220 nan 8.190 nan 0.000 0.447 56 E N -0.192 119.849 120.200 -0.265 0.000 2.065 56 E HA -0.245 4.091 4.350 -0.025 0.000 0.201 56 E C 1.809 178.291 176.600 -0.198 0.000 1.016 56 E CA 1.785 57.987 56.400 -0.330 0.000 0.818 56 E CB -0.251 29.100 29.700 -0.582 0.000 0.749 56 E HN 0.631 nan 8.360 nan 0.000 0.453 57 F N 0.707 120.632 119.950 -0.041 0.000 2.804 57 F HA 0.046 4.558 4.527 -0.025 0.000 0.303 57 F C 2.123 177.936 175.800 0.022 0.000 1.154 57 F CA 0.381 58.363 58.000 -0.031 0.000 1.401 57 F CB -0.854 38.122 39.000 -0.041 0.000 1.106 57 F HN -0.096 nan 8.300 nan 0.000 0.568 58 T N 0.092 114.745 114.554 0.165 0.000 2.653 58 T HA -0.225 4.111 4.350 -0.025 0.000 0.268 58 T C 2.195 176.937 174.700 0.069 0.000 1.035 58 T CA 1.586 63.749 62.100 0.104 0.000 1.154 58 T CB 0.009 68.912 68.868 0.057 0.000 0.862 58 T HN 0.071 nan 8.240 nan 0.000 0.441 59 K N 0.741 121.177 120.400 0.060 0.000 1.984 59 K HA 0.051 4.356 4.320 -0.025 0.000 0.209 59 K C 2.115 178.723 176.600 0.013 0.000 1.046 59 K CA 0.548 56.851 56.287 0.027 0.000 0.934 59 K CB -1.249 31.264 32.500 0.022 0.000 0.717 59 K HN 0.159 nan 8.250 nan 0.000 0.438 60 L N 0.490 121.728 121.223 0.024 0.000 2.331 60 L HA -0.274 4.051 4.340 -0.025 0.000 0.245 60 L C 0.994 177.845 176.870 -0.032 0.000 1.126 60 L CA 2.511 57.344 54.840 -0.011 0.000 0.834 60 L CB -1.550 40.501 42.059 -0.013 0.000 0.982 60 L HN 0.363 nan 8.230 nan 0.000 0.432 61 A N -2.429 120.377 122.820 -0.023 0.000 3.056 61 A HA 0.690 4.995 4.320 -0.025 0.000 0.328 61 A C 0.859 178.416 177.584 -0.045 0.000 1.233 61 A CA 0.297 52.310 52.037 -0.041 0.000 0.965 61 A CB 0.275 19.249 19.000 -0.044 0.000 1.123 61 A HN 0.447 nan 8.150 nan 0.000 0.502 62 A N 0.761 123.557 122.820 -0.041 0.000 2.055 62 A HA 0.236 4.541 4.320 -0.025 0.000 0.205 62 A C 0.889 178.444 177.584 -0.049 0.000 1.235 62 A CA 0.462 52.472 52.037 -0.045 0.000 0.822 62 A CB -0.153 18.829 19.000 -0.032 0.000 0.903 62 A HN 0.567 nan 8.150 nan 0.000 0.473 63 D N 1.640 122.010 120.400 -0.050 0.000 2.455 63 D HA 0.029 4.654 4.640 -0.025 0.000 0.265 63 D C -1.027 175.239 176.300 -0.057 0.000 1.284 63 D CA -1.270 52.696 54.000 -0.056 0.000 0.944 63 D CB 0.833 41.594 40.800 -0.066 0.000 1.121 63 D HN 0.190 nan 8.370 nan 0.000 0.525 64 P HA -0.178 nan 4.420 nan 0.000 0.218 64 P C 1.142 178.414 177.300 -0.046 0.000 1.148 64 P CA 0.905 63.977 63.100 -0.047 0.000 0.822 64 P CB -0.003 31.673 31.700 -0.039 0.000 0.784 65 S N -1.167 114.502 115.700 -0.052 0.000 2.603 65 S HA 0.025 4.481 4.470 -0.025 0.000 0.229 65 S C 0.835 175.396 174.600 -0.066 0.000 0.972 65 S CA -0.168 57.998 58.200 -0.056 0.000 0.935 65 S CB -0.990 62.172 63.200 -0.063 0.000 0.769 65 S HN -0.105 nan 8.310 nan 0.000 0.536 66 V N 2.379 122.252 119.914 -0.067 0.000 2.546 66 V HA 0.318 4.423 4.120 -0.025 0.000 0.284 66 V C 0.077 176.143 176.094 -0.046 0.000 1.050 66 V CA -0.663 61.594 62.300 -0.071 0.000 0.981 66 V CB 1.578 33.354 31.823 -0.079 0.000 0.990 66 V HN 0.306 nan 8.190 nan 0.000 0.474 67 V N 4.928 124.820 119.914 -0.036 0.000 2.432 67 V HA 0.259 4.364 4.120 -0.025 0.000 0.271 67 V C 0.350 176.460 176.094 0.027 0.000 1.046 67 V CA -0.497 61.803 62.300 0.001 0.000 0.945 67 V CB 1.252 33.081 31.823 0.009 0.000 0.992 67 V HN 0.866 nan 8.190 nan 0.000 0.471 68 N N 5.530 124.251 118.700 0.035 0.000 2.485 68 N HA 0.340 5.066 4.740 -0.025 0.000 0.243 68 N C -0.228 175.345 175.510 0.106 0.000 0.987 68 N CA -0.303 52.774 53.050 0.045 0.000 0.940 68 N CB 1.186 39.671 38.487 -0.003 0.000 1.122 68 N HN 0.666 nan 8.380 nan 0.000 0.509 69 L N 2.469 123.786 121.223 0.156 0.000 3.017 69 L HA 0.364 4.690 4.340 -0.025 0.000 0.255 69 L C 1.540 178.531 176.870 0.203 0.000 1.247 69 L CA -0.318 54.667 54.840 0.242 0.000 1.038 69 L CB 0.556 42.865 42.059 0.418 0.000 1.380 69 L HN 0.516 nan 8.230 nan 0.000 0.548 70 G N -0.298 108.577 108.800 0.125 0.000 2.618 70 G HA2 0.013 3.958 3.960 -0.025 0.000 0.222 70 G HA3 0.013 3.958 3.960 -0.025 0.000 0.222 70 G C 0.330 175.364 174.900 0.223 0.000 1.520 70 G CA -0.091 45.062 45.100 0.088 0.000 0.930 70 G HN 0.212 nan 8.290 nan 0.000 0.547 71 Q N 0.291 120.232 119.800 0.234 0.000 2.428 71 Q HA 0.421 4.746 4.340 -0.025 0.000 0.276 71 Q C 0.865 177.047 176.000 0.303 0.000 1.059 71 Q CA 0.601 56.556 55.803 0.254 0.000 0.923 71 Q CB 0.669 29.514 28.738 0.178 0.000 1.283 71 Q HN 0.342 nan 8.270 nan 0.000 0.447 72 G N 1.641 110.649 108.800 0.345 0.000 3.197 72 G HA2 0.148 4.093 3.960 -0.025 0.000 0.257 72 G HA3 0.148 4.093 3.960 -0.025 0.000 0.257 72 G C -0.977 174.024 174.900 0.168 0.000 0.835 72 G CA -0.222 45.101 45.100 0.372 0.000 2.001 72 G HN 0.472 nan 8.290 nan 0.000 0.625 73 F N 2.087 122.029 119.950 -0.012 0.000 2.334 73 F HA 0.458 4.970 4.527 -0.024 0.000 0.367 73 F C -2.149 173.588 175.800 -0.105 0.000 1.115 73 F CA -2.995 54.982 58.000 -0.038 0.000 1.116 73 F CB 1.851 40.850 39.000 -0.002 0.000 1.230 73 F HN 0.032 nan 8.300 nan 0.000 0.484 74 P HA 0.062 nan 4.420 nan 0.000 0.267 74 P C -0.469 176.697 177.300 -0.222 0.000 1.205 74 P CA 0.289 63.218 63.100 -0.284 0.000 0.765 74 P CB 0.637 32.151 31.700 -0.310 0.000 0.828 75 D N 2.530 122.910 120.400 -0.033 0.000 2.469 75 D HA 0.027 4.652 4.640 -0.025 0.000 0.215 75 D C 0.659 176.961 176.300 0.003 0.000 1.154 75 D CA -0.207 53.818 54.000 0.042 0.000 0.832 75 D CB -0.776 40.134 40.800 0.183 0.000 1.008 75 D HN 0.355 nan 8.370 nan 0.000 0.506 76 I N -0.967 119.585 120.570 -0.030 0.000 2.938 76 I HA 0.245 4.400 4.170 -0.025 0.000 0.285 76 I C 0.119 176.208 176.117 -0.046 0.000 1.182 76 I CA -0.629 60.658 61.300 -0.021 0.000 1.388 76 I CB 0.589 38.584 38.000 -0.009 0.000 1.390 76 I HN -0.295 nan 8.210 nan 0.000 0.600 77 S N 4.904 120.581 115.700 -0.039 0.000 2.565 77 S HA 0.320 4.775 4.470 -0.025 0.000 0.276 77 S C -1.922 172.613 174.600 -0.109 0.000 1.326 77 S CA -0.753 57.405 58.200 -0.071 0.000 1.045 77 S CB 0.140 63.302 63.200 -0.064 0.000 0.918 77 S HN 0.607 nan 8.310 nan 0.000 0.505 78 P HA 0.301 nan 4.420 nan 0.000 0.273 78 P C -2.743 174.332 177.300 -0.374 0.000 1.250 78 P CA -1.579 61.361 63.100 -0.267 0.000 0.793 78 P CB -0.939 30.567 31.700 -0.325 0.000 1.011 79 P HA -0.037 nan 4.420 nan 0.000 0.267 79 P C 1.186 178.085 177.300 -0.669 0.000 1.200 79 P CA 0.258 62.881 63.100 -0.795 0.000 0.772 79 P CB 0.050 30.886 31.700 -1.440 0.000 0.855 80 S N 2.425 117.854 115.700 -0.450 0.000 2.370 80 S HA -0.276 4.179 4.470 -0.025 0.000 0.226 80 S C 1.870 176.356 174.600 -0.190 0.000 1.033 80 S CA 1.657 59.724 58.200 -0.222 0.000 1.011 80 S CB -1.836 61.321 63.200 -0.072 0.000 0.852 80 S HN 0.588 nan 8.310 nan 0.000 0.457 81 Y N 1.405 121.633 120.300 -0.120 0.000 2.352 81 Y HA 0.165 4.700 4.550 -0.025 0.000 0.292 81 Y C 2.190 178.008 175.900 -0.136 0.000 1.136 81 Y CA 0.417 58.452 58.100 -0.109 0.000 1.227 81 Y CB -1.091 37.302 38.460 -0.112 0.000 0.991 81 Y HN 0.111 nan 8.280 nan 0.000 0.545 82 V N 1.162 120.817 119.914 -0.432 0.000 2.295 82 V HA -0.281 3.824 4.120 -0.025 0.000 0.246 82 V C 2.261 178.324 176.094 -0.051 0.000 1.049 82 V CA 2.362 64.446 62.300 -0.360 0.000 1.024 82 V CB -0.619 30.773 31.823 -0.717 0.000 0.648 82 V HN 0.365 nan 8.190 nan 0.000 0.447 83 K N -0.358 119.992 120.400 -0.083 0.000 2.097 83 K HA -0.120 4.185 4.320 -0.025 0.000 0.205 83 K C 2.209 178.850 176.600 0.068 0.000 1.050 83 K CA 1.110 57.426 56.287 0.049 0.000 0.938 83 K CB -0.203 32.291 32.500 -0.010 0.000 0.718 83 K HN 0.366 nan 8.250 nan 0.000 0.442 84 E N 1.082 121.307 120.200 0.043 0.000 2.058 84 E HA -0.197 4.138 4.350 -0.025 0.000 0.194 84 E C 1.967 178.620 176.600 0.089 0.000 0.997 84 E CA 1.156 57.597 56.400 0.069 0.000 0.801 84 E CB -0.022 29.723 29.700 0.076 0.000 0.746 84 E HN 0.275 nan 8.360 nan 0.000 0.450 85 E N 0.678 120.941 120.200 0.105 0.000 2.110 85 E HA -0.157 4.178 4.350 -0.025 0.000 0.193 85 E C 2.182 178.834 176.600 0.087 0.000 0.988 85 E CA 0.353 56.820 56.400 0.111 0.000 0.804 85 E CB -0.334 29.443 29.700 0.129 0.000 0.745 85 E HN 0.131 nan 8.360 nan 0.000 0.458 86 L N 0.837 122.120 121.223 0.100 0.000 2.046 86 L HA -0.102 4.223 4.340 -0.025 0.000 0.208 86 L C 2.405 179.232 176.870 -0.071 0.000 1.077 86 L CA 1.767 56.587 54.840 -0.034 0.000 0.747 86 L CB -0.946 41.085 42.059 -0.047 0.000 0.896 86 L HN -0.013 nan 8.230 nan 0.000 0.432 87 S N -0.783 114.911 115.700 -0.009 0.000 2.359 87 S HA -0.237 4.218 4.470 -0.025 0.000 0.224 87 S C 2.061 176.692 174.600 0.052 0.000 1.035 87 S CA 1.648 59.842 58.200 -0.009 0.000 1.018 87 S CB -0.175 63.079 63.200 0.089 0.000 0.876 87 S HN 0.529 nan 8.310 nan 0.000 0.448 88 K N 0.880 121.345 120.400 0.110 0.000 2.009 88 K HA -0.090 4.215 4.320 -0.025 0.000 0.210 88 K C 2.449 179.106 176.600 0.095 0.000 1.049 88 K CA 1.365 57.740 56.287 0.148 0.000 0.929 88 K CB -0.518 32.048 32.500 0.110 0.000 0.714 88 K HN 0.436 nan 8.250 nan 0.000 0.440 89 A N 1.630 124.462 122.820 0.021 0.000 1.908 89 A HA -0.181 4.124 4.320 -0.025 0.000 0.218 89 A C 2.409 179.937 177.584 -0.093 0.000 1.181 89 A CA 1.983 54.004 52.037 -0.027 0.000 0.627 89 A CB -0.832 18.130 19.000 -0.064 0.000 0.818 89 A HN 0.377 nan 8.150 nan 0.000 0.445 90 A N -1.164 121.538 122.820 -0.196 0.000 1.958 90 A HA -0.124 4.181 4.320 -0.025 0.000 0.221 90 A C 1.768 179.128 177.584 -0.374 0.000 1.178 90 A CA 1.807 53.630 52.037 -0.356 0.000 0.642 90 A CB -0.757 17.914 19.000 -0.549 0.000 0.816 90 A HN 0.520 nan 8.150 nan 0.000 0.453 91 F N -0.686 119.246 119.950 -0.030 0.000 2.789 91 F HA 0.298 4.810 4.527 -0.025 0.000 0.300 91 F C 0.479 176.268 175.800 -0.018 0.000 1.132 91 F CA -0.204 57.783 58.000 -0.022 0.000 1.404 91 F CB -0.121 38.870 39.000 -0.015 0.000 1.114 91 F HN -0.015 nan 8.300 nan 0.000 0.584 92 I N 0.948 121.582 120.570 0.107 0.000 2.294 92 I HA 0.042 4.198 4.170 -0.025 0.000 0.295 92 I C 0.888 177.017 176.117 0.021 0.000 1.098 92 I CA -0.286 61.052 61.300 0.064 0.000 1.277 92 I CB 0.418 38.452 38.000 0.056 0.000 1.434 92 I HN -0.033 nan 8.210 nan 0.000 0.498 93 D N 3.998 124.413 120.400 0.025 0.000 2.192 93 D HA -0.244 4.381 4.640 -0.025 0.000 0.189 93 D C 1.628 177.918 176.300 -0.016 0.000 1.007 93 D CA 1.768 55.767 54.000 -0.001 0.000 0.859 93 D CB -0.097 40.707 40.800 0.007 0.000 0.936 93 D HN 0.492 nan 8.370 nan 0.000 0.447 94 N N -0.292 118.409 118.700 0.001 0.000 2.192 94 N HA -0.112 4.613 4.740 -0.025 0.000 0.188 94 N C 1.489 176.996 175.510 -0.005 0.000 1.013 94 N CA 0.699 53.753 53.050 0.006 0.000 0.863 94 N CB -0.180 38.326 38.487 0.032 0.000 0.990 94 N HN 0.192 nan 8.380 nan 0.000 0.430 95 M N -0.255 119.333 119.600 -0.018 0.000 2.618 95 M HA 0.083 4.548 4.480 -0.025 0.000 0.240 95 M C 0.327 176.566 176.300 -0.101 0.000 1.123 95 M CA 0.610 55.876 55.300 -0.057 0.000 1.060 95 M CB -0.840 31.730 32.600 -0.049 0.000 1.535 95 M HN 0.111 nan 8.290 nan 0.000 0.507 96 N N -0.855 117.790 118.700 -0.092 0.000 2.205 96 N HA 0.042 4.767 4.740 -0.025 0.000 0.201 96 N C 0.032 175.460 175.510 -0.137 0.000 1.128 96 N CA -0.004 52.974 53.050 -0.121 0.000 0.867 96 N CB 0.617 39.035 38.487 -0.116 0.000 0.996 96 N HN 0.139 nan 8.380 nan 0.000 0.503 97 Q N -0.126 119.607 119.800 -0.113 0.000 2.240 97 Q HA 0.258 4.583 4.340 -0.025 0.000 0.260 97 Q C -0.492 175.453 176.000 -0.092 0.000 1.018 97 Q CA -0.771 54.940 55.803 -0.153 0.000 0.898 97 Q CB 0.356 29.040 28.738 -0.090 0.000 1.301 97 Q HN 0.150 nan 8.270 nan 0.000 0.469 98 Y N 0.336 120.615 120.300 -0.034 0.000 3.073 98 Y HA -0.036 4.499 4.550 -0.025 0.000 0.343 98 Y C 1.233 177.122 175.900 -0.018 0.000 1.274 98 Y CA 0.982 59.058 58.100 -0.041 0.000 1.554 98 Y CB -0.031 38.387 38.460 -0.070 0.000 1.250 98 Y HN 0.434 nan 8.280 nan 0.000 0.622 99 T N 2.389 117.061 114.554 0.197 0.000 2.773 99 T HA 0.399 4.734 4.350 -0.025 0.000 0.278 99 T C -0.519 174.228 174.700 0.078 0.000 1.011 99 T CA -1.133 61.067 62.100 0.167 0.000 1.014 99 T CB 0.917 69.953 68.868 0.280 0.000 1.293 99 T HN 0.660 nan 8.240 nan 0.000 0.554 100 R N 0.359 120.906 120.500 0.077 0.000 2.538 100 R HA 0.158 4.484 4.340 -0.025 0.000 0.282 100 R C 1.572 177.846 176.300 -0.042 0.000 1.009 100 R CA 0.821 56.906 56.100 -0.025 0.000 1.063 100 R CB -0.128 30.179 30.300 0.012 0.000 0.945 100 R HN 0.833 nan 8.270 nan 0.000 0.414 101 G N 4.043 112.702 108.800 -0.234 0.000 2.469 101 G HA2 -0.272 3.673 3.960 -0.025 0.000 0.219 101 G HA3 -0.272 3.673 3.960 -0.025 0.000 0.219 101 G C 0.665 175.656 174.900 0.152 0.000 1.150 101 G CA 0.569 45.562 45.100 -0.178 0.000 0.763 101 G HN 0.633 nan 8.290 nan 0.000 0.561 102 F N 1.088 121.130 119.950 0.154 0.000 2.765 102 F HA 0.456 4.965 4.527 -0.030 0.000 0.302 102 F C 1.318 177.212 175.800 0.156 0.000 1.111 102 F CA -0.379 57.705 58.000 0.140 0.000 1.359 102 F CB -0.013 39.044 39.000 0.095 0.000 1.097 102 F HN 0.327 nan 8.300 nan 0.000 0.577 103 G N -0.971 108.016 108.800 0.312 0.000 2.277 103 G HA2 0.058 4.003 3.960 -0.025 0.000 0.272 103 G HA3 0.058 4.003 3.960 -0.025 0.000 0.272 103 G C -1.438 173.605 174.900 0.238 0.000 1.692 103 G CA -1.290 43.977 45.100 0.279 0.000 0.926 103 G HN 0.108 nan 8.290 nan 0.000 0.720 104 H N 3.420 122.577 119.070 0.145 0.000 3.214 104 H HA 0.157 4.700 4.556 -0.022 0.000 0.291 104 H C -1.078 174.316 175.328 0.110 0.000 0.926 104 H CA 0.091 56.210 56.048 0.117 0.000 1.409 104 H CB 1.021 30.859 29.762 0.127 0.000 1.406 104 H HN 0.213 nan 8.280 nan 0.000 0.561 105 P HA -0.237 nan 4.420 nan 0.000 0.216 105 P C 1.044 178.272 177.300 -0.120 0.000 1.153 105 P CA 2.477 65.486 63.100 -0.151 0.000 0.858 105 P CB 0.064 31.677 31.700 -0.145 0.000 0.789 106 A N -1.090 121.581 122.820 -0.249 0.000 1.930 106 A HA -0.159 4.146 4.320 -0.025 0.000 0.217 106 A C 2.117 179.789 177.584 0.146 0.000 1.175 106 A CA 1.317 53.389 52.037 0.060 0.000 0.627 106 A CB -1.583 17.501 19.000 0.140 0.000 0.815 106 A HN 0.157 nan 8.150 nan 0.000 0.443 107 L N 0.691 121.997 121.223 0.138 0.000 1.994 107 L HA -0.132 4.193 4.340 -0.025 0.000 0.208 107 L C 2.527 179.375 176.870 -0.036 0.000 1.071 107 L CA 2.643 57.552 54.840 0.115 0.000 0.745 107 L CB -0.646 41.558 42.059 0.242 0.000 0.892 107 L HN 0.361 nan 8.230 nan 0.000 0.431 108 V N -1.960 117.959 119.914 0.007 0.000 2.626 108 V HA -0.182 3.923 4.120 -0.025 0.000 0.252 108 V C 2.561 178.621 176.094 -0.057 0.000 1.067 108 V CA 1.756 64.034 62.300 -0.036 0.000 1.081 108 V CB -1.272 30.573 31.823 0.037 0.000 0.686 108 V HN 0.593 nan 8.190 nan 0.000 0.468 109 K N 2.432 122.835 120.400 0.005 0.000 2.002 109 K HA 0.016 4.321 4.320 -0.025 0.000 0.209 109 K C 2.140 178.734 176.600 -0.011 0.000 1.048 109 K CA 2.177 58.510 56.287 0.076 0.000 0.930 109 K CB -1.021 31.588 32.500 0.181 0.000 0.714 109 K HN 0.437 nan 8.250 nan 0.000 0.438 110 A N 1.241 123.922 122.820 -0.232 0.000 1.883 110 A HA -0.127 4.178 4.320 -0.025 0.000 0.217 110 A C 2.297 179.463 177.584 -0.697 0.000 1.186 110 A CA 1.919 53.391 52.037 -0.943 0.000 0.624 110 A CB -0.939 17.381 19.000 -1.133 0.000 0.822 110 A HN 0.371 nan 8.150 nan 0.000 0.444 111 L N 0.393 121.257 121.223 -0.599 0.000 2.042 111 L HA -0.230 4.096 4.340 -0.025 0.000 0.210 111 L C 3.013 179.781 176.870 -0.170 0.000 1.076 111 L CA 1.787 56.318 54.840 -0.516 0.000 0.749 111 L CB -0.558 41.158 42.059 -0.571 0.000 0.893 111 L HN 0.645 nan 8.230 nan 0.000 0.432 112 S N -1.522 114.101 115.700 -0.129 0.000 2.428 112 S HA -0.200 4.255 4.470 -0.025 0.000 0.230 112 S C 2.170 176.765 174.600 -0.009 0.000 1.014 112 S CA 0.800 58.980 58.200 -0.033 0.000 0.957 112 S CB -0.872 62.320 63.200 -0.014 0.000 0.784 112 S HN 0.536 nan 8.310 nan 0.000 0.499 113 C N 1.225 120.498 119.300 -0.044 0.000 2.473 113 C HA 0.087 4.533 4.460 -0.025 0.000 0.279 113 C C 2.521 177.495 174.990 -0.027 0.000 1.250 113 C CA 0.932 59.959 59.018 0.014 0.000 1.713 113 C CB -1.530 26.276 27.740 0.109 0.000 2.066 113 C HN 0.658 nan 8.230 nan 0.000 0.474 114 L N 0.242 121.371 121.223 -0.156 0.000 2.012 114 L HA -0.112 4.213 4.340 -0.025 0.000 0.210 114 L C 2.154 178.886 176.870 -0.230 0.000 1.073 114 L CA 2.311 57.025 54.840 -0.211 0.000 0.748 114 L CB -1.325 40.483 42.059 -0.419 0.000 0.891 114 L HN 0.526 nan 8.230 nan 0.000 0.431 115 Y N -0.340 119.945 120.300 -0.025 0.000 2.457 115 Y HA 0.101 4.631 4.550 -0.034 0.000 0.292 115 Y C 2.458 178.452 175.900 0.157 0.000 1.125 115 Y CA 0.893 59.063 58.100 0.116 0.000 1.254 115 Y CB -0.960 37.564 38.460 0.107 0.000 1.012 115 Y HN 0.259 nan 8.280 nan 0.000 0.555 116 G N 0.390 109.279 108.800 0.150 0.000 2.440 116 G HA2 -0.250 3.695 3.960 -0.025 0.000 0.218 116 G HA3 -0.250 3.695 3.960 -0.025 0.000 0.218 116 G C 1.644 176.611 174.900 0.111 0.000 1.154 116 G CA 0.892 46.045 45.100 0.088 0.000 0.767 116 G HN 0.322 nan 8.290 nan 0.000 0.552 117 K N -0.220 120.237 120.400 0.096 0.000 2.097 117 K HA 0.096 4.401 4.320 -0.025 0.000 0.205 117 K C 2.389 179.051 176.600 0.103 0.000 1.050 117 K CA 0.771 57.112 56.287 0.089 0.000 0.938 117 K CB -0.144 32.405 32.500 0.081 0.000 0.718 117 K HN 0.333 nan 8.250 nan 0.000 0.442 118 I N -0.425 120.218 120.570 0.123 0.000 2.333 118 I HA -0.226 3.929 4.170 -0.025 0.000 0.246 118 I C 1.696 177.881 176.117 0.113 0.000 1.106 118 I CA 1.239 62.593 61.300 0.091 0.000 1.411 118 I CB -0.072 37.950 38.000 0.036 0.000 1.082 118 I HN 0.100 nan 8.210 nan 0.000 0.420 119 Y N 0.695 121.041 120.300 0.078 0.000 2.519 119 Y HA -0.024 4.527 4.550 0.002 0.000 0.287 119 Y C 0.803 176.708 175.900 0.008 0.000 1.128 119 Y CA 0.178 58.316 58.100 0.063 0.000 1.282 119 Y CB 0.017 38.521 38.460 0.074 0.000 1.027 119 Y HN 0.159 nan 8.280 nan 0.000 0.551 120 Q N 0.655 120.550 119.800 0.157 0.000 2.463 120 Q HA -0.250 4.076 4.340 -0.025 0.000 0.299 120 Q C -0.732 175.285 176.000 0.030 0.000 1.353 120 Q CA 0.663 56.510 55.803 0.074 0.000 0.828 120 Q CB -1.576 27.192 28.738 0.050 0.000 1.157 120 Q HN 0.574 nan 8.270 nan 0.000 0.436 121 R N -1.748 118.758 120.500 0.009 0.000 2.680 121 R HA 0.469 4.794 4.340 -0.025 0.000 0.269 121 R C -1.040 175.195 176.300 -0.109 0.000 1.026 121 R CA -1.088 54.952 56.100 -0.099 0.000 0.889 121 R CB 0.876 31.029 30.300 -0.244 0.000 1.241 121 R HN 0.091 nan 8.270 nan 0.000 0.463 122 Q N 1.825 121.554 119.800 -0.118 0.000 2.263 122 Q HA 0.085 4.410 4.340 -0.025 0.000 0.289 122 Q C -0.526 175.383 176.000 -0.153 0.000 1.061 122 Q CA 0.164 55.908 55.803 -0.098 0.000 0.927 122 Q CB 0.554 29.249 28.738 -0.072 0.000 1.154 122 Q HN 0.419 nan 8.270 nan 0.000 0.378 123 I N 3.936 124.446 120.570 -0.100 0.000 2.336 123 I HA 0.108 4.263 4.170 -0.025 0.000 0.292 123 I C 0.036 176.140 176.117 -0.022 0.000 0.991 123 I CA -0.470 60.781 61.300 -0.082 0.000 1.227 123 I CB 1.272 39.226 38.000 -0.077 0.000 1.366 123 I HN 0.624 nan 8.210 nan 0.000 0.466 124 D N 9.716 130.120 120.400 0.006 0.000 2.342 124 D HA 0.113 4.738 4.640 -0.025 0.000 0.260 124 D C -1.435 174.880 176.300 0.025 0.000 1.278 124 D CA -1.591 52.422 54.000 0.023 0.000 0.910 124 D CB 1.632 42.456 40.800 0.041 0.000 1.079 124 D HN 0.253 nan 8.370 nan 0.000 0.496 125 P HA -0.130 nan 4.420 nan 0.000 0.218 125 P C 0.669 177.999 177.300 0.049 0.000 1.148 125 P CA 0.980 64.095 63.100 0.025 0.000 0.822 125 P CB 0.571 32.291 31.700 0.033 0.000 0.784 126 N N -0.932 117.804 118.700 0.060 0.000 2.432 126 N HA -0.021 4.704 4.740 -0.025 0.000 0.174 126 N C 1.387 176.948 175.510 0.086 0.000 1.037 126 N CA 0.772 53.877 53.050 0.091 0.000 0.892 126 N CB 0.115 38.653 38.487 0.085 0.000 1.049 126 N HN 0.196 nan 8.380 nan 0.000 0.442 127 E N 0.509 120.739 120.200 0.050 0.000 2.434 127 E HA 0.122 4.457 4.350 -0.025 0.000 0.207 127 E C 0.541 177.140 176.600 -0.001 0.000 0.929 127 E CA 0.334 56.748 56.400 0.024 0.000 1.001 127 E CB 0.439 30.159 29.700 0.034 0.000 1.016 127 E HN 0.403 nan 8.360 nan 0.000 0.502 128 E N 0.362 120.574 120.200 0.020 0.000 2.526 128 E HA 0.276 4.611 4.350 -0.025 0.000 0.208 128 E C 0.162 176.749 176.600 -0.021 0.000 0.997 128 E CA 0.020 56.431 56.400 0.018 0.000 0.961 128 E CB 1.114 30.893 29.700 0.132 0.000 1.030 128 E HN 0.085 nan 8.360 nan 0.000 0.483 129 I N 1.456 122.020 120.570 -0.009 0.000 2.608 129 I HA 0.378 4.533 4.170 -0.025 0.000 0.295 129 I C -1.207 174.930 176.117 0.033 0.000 1.049 129 I CA -1.315 59.988 61.300 0.005 0.000 1.063 129 I CB 2.114 40.115 38.000 0.001 0.000 1.248 129 I HN -0.108 nan 8.210 nan 0.000 0.424 130 L N 6.699 127.961 121.223 0.065 0.000 2.439 130 L HA 0.563 4.888 4.340 -0.025 0.000 0.270 130 L C -1.131 175.871 176.870 0.220 0.000 0.972 130 L CA -0.429 54.473 54.840 0.103 0.000 0.836 130 L CB 1.904 43.953 42.059 -0.017 0.000 1.255 130 L HN 0.317 nan 8.230 nan 0.000 0.404 131 V N 4.812 124.903 119.914 0.294 0.000 2.465 131 V HA 0.899 5.004 4.120 -0.025 0.000 0.279 131 V C 0.548 176.879 176.094 0.395 0.000 1.045 131 V CA 0.294 62.818 62.300 0.374 0.000 0.938 131 V CB 0.705 32.755 31.823 0.378 0.000 0.986 131 V HN 1.023 nan 8.190 nan 0.000 0.467 132 A N 3.917 126.954 122.820 0.361 0.000 2.486 132 A HA 0.798 5.103 4.320 -0.025 0.000 0.289 132 A C -0.644 177.042 177.584 0.171 0.000 1.176 132 A CA -0.647 51.623 52.037 0.387 0.000 0.757 132 A CB 1.697 20.905 19.000 0.347 0.000 1.337 132 A HN 0.554 nan 8.150 nan 0.000 0.423 133 V N 2.199 122.069 119.914 -0.073 0.000 2.359 133 V HA 0.459 4.564 4.120 -0.025 0.000 0.248 133 V C 1.126 177.201 176.094 -0.032 0.000 1.091 133 V CA 1.245 63.442 62.300 -0.172 0.000 1.103 133 V CB -1.239 30.297 31.823 -0.479 0.000 1.176 133 V HN 2.033 nan 8.190 nan 0.000 0.488 134 G N 4.379 113.193 108.800 0.023 0.000 2.860 134 G HA2 0.062 4.007 3.960 -0.025 0.000 0.553 134 G HA3 0.062 4.007 3.960 -0.025 0.000 0.553 134 G C 0.802 175.692 174.900 -0.017 0.000 1.439 134 G CA -0.165 44.946 45.100 0.018 0.000 0.879 134 G HN 1.230 nan 8.290 nan 0.000 0.545 135 A N -0.449 122.307 122.820 -0.106 0.000 1.986 135 A HA -0.007 4.298 4.320 -0.025 0.000 0.220 135 A C 2.028 179.606 177.584 -0.010 0.000 1.171 135 A CA 2.627 54.578 52.037 -0.143 0.000 0.640 135 A CB -0.508 18.328 19.000 -0.274 0.000 0.811 135 A HN 1.074 nan 8.150 nan 0.000 0.451 136 Y N -0.033 120.262 120.300 -0.010 0.000 2.081 136 Y HA -0.188 4.347 4.550 -0.025 0.000 0.280 136 Y C 2.788 178.761 175.900 0.122 0.000 1.163 136 Y CA 1.738 59.888 58.100 0.084 0.000 1.135 136 Y CB -0.756 37.745 38.460 0.067 0.000 0.970 136 Y HN 0.341 nan 8.280 nan 0.000 0.498 137 G N -1.745 107.215 108.800 0.267 0.000 2.432 137 G HA2 -0.227 3.718 3.960 -0.025 0.000 0.219 137 G HA3 -0.227 3.718 3.960 -0.025 0.000 0.219 137 G C 1.833 176.903 174.900 0.284 0.000 1.135 137 G CA 1.182 46.439 45.100 0.262 0.000 0.767 137 G HN 0.384 nan 8.290 nan 0.000 0.550 138 S N 0.484 116.281 115.700 0.162 0.000 2.355 138 S HA -0.013 4.442 4.470 -0.025 0.000 0.222 138 S C 2.297 176.935 174.600 0.062 0.000 1.031 138 S CA 0.801 59.055 58.200 0.090 0.000 0.993 138 S CB -0.289 62.906 63.200 -0.008 0.000 0.859 138 S HN 0.311 nan 8.310 nan 0.000 0.453 139 L N 0.158 121.418 121.223 0.062 0.000 2.013 139 L HA -0.164 4.161 4.340 -0.025 0.000 0.212 139 L C 2.273 179.209 176.870 0.109 0.000 1.073 139 L CA 1.617 56.484 54.840 0.046 0.000 0.753 139 L CB -0.559 41.544 42.059 0.073 0.000 0.890 139 L HN 0.257 nan 8.230 nan 0.000 0.432 140 F N 1.194 121.192 119.950 0.080 0.000 2.069 140 F HA -0.258 4.254 4.527 -0.025 0.000 0.298 140 F C 2.491 178.327 175.800 0.060 0.000 1.113 140 F CA 1.745 59.801 58.000 0.094 0.000 1.214 140 F CB -0.404 38.685 39.000 0.149 0.000 0.978 140 F HN 0.111 nan 8.300 nan 0.000 0.474 141 N N 0.238 118.972 118.700 0.057 0.000 2.094 141 N HA -0.193 4.532 4.740 -0.025 0.000 0.191 141 N C 2.060 177.480 175.510 -0.150 0.000 1.023 141 N CA 1.706 54.717 53.050 -0.065 0.000 0.857 141 N CB -0.737 37.783 38.487 0.054 0.000 1.013 141 N HN 0.299 nan 8.380 nan 0.000 0.426 142 S N 0.828 116.459 115.700 -0.115 0.000 2.345 142 S HA 0.057 4.512 4.470 -0.025 0.000 0.220 142 S C 2.137 176.638 174.600 -0.164 0.000 1.031 142 S CA 0.602 58.722 58.200 -0.133 0.000 0.996 142 S CB -0.063 63.062 63.200 -0.125 0.000 0.882 142 S HN 0.249 nan 8.310 nan 0.000 0.445 143 I N 1.419 121.880 120.570 -0.181 0.000 2.286 143 I HA -0.139 4.017 4.170 -0.025 0.000 0.245 143 I C 2.645 178.623 176.117 -0.232 0.000 1.104 143 I CA 0.869 62.057 61.300 -0.187 0.000 1.397 143 I CB -0.280 37.632 38.000 -0.146 0.000 1.072 143 I HN 0.216 nan 8.210 nan 0.000 0.417 144 Q N 0.462 120.047 119.800 -0.359 0.000 2.124 144 Q HA -0.124 4.201 4.340 -0.025 0.000 0.202 144 Q C 2.251 178.105 176.000 -0.243 0.000 0.977 144 Q CA 1.791 57.367 55.803 -0.379 0.000 0.850 144 Q CB -0.498 27.830 28.738 -0.683 0.000 0.901 144 Q HN 0.598 nan 8.270 nan 0.000 0.429 145 G N -0.618 108.058 108.800 -0.206 0.000 2.683 145 G HA2 0.079 4.024 3.960 -0.025 0.000 0.213 145 G HA3 0.079 4.024 3.960 -0.025 0.000 0.213 145 G C 1.259 176.069 174.900 -0.150 0.000 1.142 145 G CA 0.020 45.036 45.100 -0.140 0.000 0.793 145 G HN 0.226 nan 8.290 nan 0.000 0.534 146 L N -0.182 120.947 121.223 -0.157 0.000 2.878 146 L HA 0.316 4.642 4.340 -0.025 0.000 0.253 146 L C -0.333 176.448 176.870 -0.148 0.000 1.135 146 L CA 0.051 54.798 54.840 -0.156 0.000 0.943 146 L CB 1.256 43.235 42.059 -0.133 0.000 1.307 146 L HN -0.131 nan 8.230 nan 0.000 0.545 147 V N 0.236 120.062 119.914 -0.147 0.000 2.444 147 V HA 0.378 4.483 4.120 -0.025 0.000 0.294 147 V C -0.838 175.185 176.094 -0.119 0.000 1.022 147 V CA -0.790 61.431 62.300 -0.132 0.000 0.850 147 V CB 2.064 33.806 31.823 -0.136 0.000 0.992 147 V HN -0.011 nan 8.190 nan 0.000 0.426 148 D N 5.027 125.363 120.400 -0.105 0.000 2.229 148 D HA 0.405 5.030 4.640 -0.025 0.000 0.249 148 D C -2.592 173.662 176.300 -0.077 0.000 1.027 148 D CA -1.519 52.428 54.000 -0.088 0.000 0.923 148 D CB 2.096 42.847 40.800 -0.081 0.000 1.174 148 D HN 0.250 nan 8.370 nan 0.000 0.443 149 P HA 0.059 nan 4.420 nan 0.000 0.261 149 P C 0.840 178.107 177.300 -0.055 0.000 1.173 149 P CA 0.760 63.828 63.100 -0.053 0.000 0.760 149 P CB 0.466 32.142 31.700 -0.041 0.000 0.783 150 G N 2.025 110.790 108.800 -0.057 0.000 2.253 150 G HA2 -0.211 3.734 3.960 -0.025 0.000 0.251 150 G HA3 -0.211 3.734 3.960 -0.025 0.000 0.251 150 G C 0.087 174.944 174.900 -0.071 0.000 0.998 150 G CA -0.192 44.874 45.100 -0.057 0.000 0.621 150 G HN 0.502 nan 8.290 nan 0.000 0.524 151 D N 1.584 121.935 120.400 -0.082 0.000 2.423 151 D HA 0.412 5.037 4.640 -0.025 0.000 0.238 151 D C 0.726 176.951 176.300 -0.126 0.000 1.142 151 D CA 0.459 54.399 54.000 -0.100 0.000 0.884 151 D CB 0.580 41.316 40.800 -0.107 0.000 1.199 151 D HN 0.556 nan 8.370 nan 0.000 0.438 152 E N 0.116 120.227 120.200 -0.149 0.000 2.231 152 E HA 0.449 4.785 4.350 -0.025 0.000 0.277 152 E C -0.829 175.627 176.600 -0.241 0.000 0.999 152 E CA -0.752 55.529 56.400 -0.198 0.000 0.827 152 E CB 1.754 31.330 29.700 -0.206 0.000 1.101 152 E HN 0.046 nan 8.360 nan 0.000 0.393 153 V N 4.575 124.322 119.914 -0.279 0.000 2.483 153 V HA 0.311 4.416 4.120 -0.025 0.000 0.297 153 V C -0.216 175.658 176.094 -0.366 0.000 1.027 153 V CA -0.679 61.440 62.300 -0.301 0.000 0.855 153 V CB 1.392 33.063 31.823 -0.255 0.000 0.995 153 V HN 0.591 nan 8.190 nan 0.000 0.424 154 I N 5.789 126.129 120.570 -0.384 0.000 2.441 154 I HA 0.379 4.534 4.170 -0.025 0.000 0.287 154 I C -0.348 175.603 176.117 -0.276 0.000 1.049 154 I CA 0.176 61.254 61.300 -0.371 0.000 1.381 154 I CB 0.737 38.463 38.000 -0.456 0.000 1.409 154 I HN 0.415 nan 8.210 nan 0.000 0.523 155 I N 6.707 127.137 120.570 -0.234 0.000 2.447 155 I HA 0.326 4.481 4.170 -0.025 0.000 0.287 155 I C -0.256 175.940 176.117 0.132 0.000 1.023 155 I CA -0.569 60.680 61.300 -0.085 0.000 1.083 155 I CB 1.760 39.627 38.000 -0.223 0.000 1.245 155 I HN 0.476 nan 8.210 nan 0.000 0.434 156 M N 5.819 125.547 119.600 0.213 0.000 2.219 156 M HA 0.261 4.726 4.480 -0.025 0.000 0.353 156 M C -0.557 176.036 176.300 0.488 0.000 1.304 156 M CA -0.247 55.245 55.300 0.319 0.000 1.115 156 M CB 0.893 33.673 32.600 0.300 0.000 1.664 156 M HN 0.253 nan 8.290 nan 0.000 0.459 157 V N 5.601 125.774 119.914 0.432 0.000 2.472 157 V HA 0.388 4.494 4.120 -0.025 0.000 0.290 157 V C -2.189 173.911 176.094 0.011 0.000 1.037 157 V CA -1.885 60.617 62.300 0.336 0.000 0.908 157 V CB 1.167 33.179 31.823 0.316 0.000 0.985 157 V HN 0.647 nan 8.190 nan 0.000 0.454 158 P HA 0.341 nan 4.420 nan 0.000 0.272 158 P C -1.032 176.310 177.300 0.069 0.000 1.223 158 P CA -0.043 62.862 63.100 -0.326 0.000 0.784 158 P CB 0.313 31.723 31.700 -0.483 0.000 0.923 159 F N -0.804 119.164 119.950 0.031 0.000 2.565 159 F HA 0.509 5.021 4.527 -0.025 0.000 0.313 159 F C -0.527 175.174 175.800 -0.165 0.000 1.091 159 F CA -1.843 56.155 58.000 -0.004 0.000 0.915 159 F CB 0.434 39.535 39.000 0.168 0.000 1.208 159 F HN 0.191 nan 8.300 nan 0.000 0.453 160 Y N 4.327 124.368 120.300 -0.431 0.000 2.895 160 Y HA -0.043 4.493 4.550 -0.024 0.000 0.334 160 Y C 1.795 177.570 175.900 -0.207 0.000 1.261 160 Y CA 0.121 57.966 58.100 -0.426 0.000 1.560 160 Y CB 0.495 38.572 38.460 -0.640 0.000 1.253 160 Y HN 0.823 nan 8.280 nan 0.000 0.582 161 D N 3.315 123.332 120.400 -0.638 0.000 2.219 161 D HA -0.214 4.411 4.640 -0.025 0.000 0.205 161 D C 2.063 178.333 176.300 -0.050 0.000 0.970 161 D CA 1.340 55.191 54.000 -0.249 0.000 0.851 161 D CB -0.964 39.604 40.800 -0.387 0.000 0.943 161 D HN 0.650 nan 8.370 nan 0.000 0.488 162 C N -0.143 119.055 119.300 -0.170 0.000 2.432 162 C HA -0.053 4.393 4.460 -0.025 0.000 0.282 162 C C 2.499 177.656 174.990 0.279 0.000 1.388 162 C CA -0.219 58.878 59.018 0.132 0.000 1.777 162 C CB -1.634 26.198 27.740 0.154 0.000 1.882 162 C HN 0.127 nan 8.230 nan 0.000 0.520 163 Y N 2.111 122.522 120.300 0.186 0.000 2.145 163 Y HA -0.091 4.445 4.550 -0.024 0.000 0.286 163 Y C 2.655 178.558 175.900 0.006 0.000 1.145 163 Y CA 1.680 59.828 58.100 0.081 0.000 1.148 163 Y CB -1.343 37.140 38.460 0.039 0.000 0.981 163 Y HN 0.560 nan 8.280 nan 0.000 0.507 164 E N 0.497 120.802 120.200 0.175 0.000 2.017 164 E HA -0.165 4.170 4.350 -0.025 0.000 0.193 164 E C -0.633 176.039 176.600 0.120 0.000 0.997 164 E CA 1.556 58.014 56.400 0.096 0.000 0.804 164 E CB -0.861 28.963 29.700 0.207 0.000 0.757 164 E HN 0.218 nan 8.360 nan 0.000 0.448 165 P HA -0.165 nan 4.420 nan 0.000 0.218 165 P C 1.526 178.910 177.300 0.140 0.000 1.149 165 P CA 1.436 64.615 63.100 0.132 0.000 0.817 165 P CB -0.155 31.627 31.700 0.137 0.000 0.785 166 M N -0.748 118.956 119.600 0.173 0.000 2.086 166 M HA -0.113 4.352 4.480 -0.025 0.000 0.261 166 M C 2.220 178.566 176.300 0.075 0.000 1.067 166 M CA 1.571 56.975 55.300 0.174 0.000 1.116 166 M CB -0.938 31.788 32.600 0.211 0.000 1.348 166 M HN -0.231 nan 8.290 nan 0.000 0.407 167 V N 0.775 120.707 119.914 0.029 0.000 2.332 167 V HA -0.301 3.804 4.120 -0.025 0.000 0.248 167 V C 2.319 178.396 176.094 -0.028 0.000 1.055 167 V CA 1.926 64.203 62.300 -0.039 0.000 1.038 167 V CB -0.851 30.911 31.823 -0.100 0.000 0.651 167 V HN 0.470 nan 8.190 nan 0.000 0.450 168 R N -0.401 120.103 120.500 0.007 0.000 2.075 168 R HA -0.083 4.242 4.340 -0.025 0.000 0.232 168 R C 2.296 178.611 176.300 0.024 0.000 1.126 168 R CA 1.661 57.768 56.100 0.013 0.000 0.963 168 R CB -0.469 29.851 30.300 0.034 0.000 0.858 168 R HN 0.444 nan 8.270 nan 0.000 0.435 169 M N 0.977 120.609 119.600 0.054 0.000 2.358 169 M HA -0.031 4.435 4.480 -0.025 0.000 0.264 169 M C 1.735 178.057 176.300 0.037 0.000 1.064 169 M CA 1.399 56.739 55.300 0.068 0.000 1.093 169 M CB 0.052 32.731 32.600 0.130 0.000 1.401 169 M HN 0.219 nan 8.290 nan 0.000 0.440 170 A N -0.473 122.350 122.820 0.005 0.000 2.238 170 A HA 0.339 4.644 4.320 -0.025 0.000 0.208 170 A C 1.559 179.120 177.584 -0.039 0.000 1.177 170 A CA 0.705 52.720 52.037 -0.036 0.000 0.804 170 A CB -0.786 18.170 19.000 -0.073 0.000 0.823 170 A HN 0.755 nan 8.150 nan 0.000 0.482 171 G N -2.034 106.750 108.800 -0.026 0.000 2.143 171 G HA2 0.067 4.013 3.960 -0.025 0.000 0.249 171 G HA3 0.067 4.013 3.960 -0.025 0.000 0.249 171 G C 0.424 175.296 174.900 -0.047 0.000 0.981 171 G CA 0.485 45.567 45.100 -0.030 0.000 0.665 171 G HN 1.535 nan 8.290 nan 0.000 0.528 172 A N -0.935 121.849 122.820 -0.061 0.000 2.252 172 A HA 0.849 5.154 4.320 -0.025 0.000 0.305 172 A C 0.198 177.723 177.584 -0.099 0.000 1.097 172 A CA -0.014 51.971 52.037 -0.087 0.000 0.849 172 A CB 1.528 20.463 19.000 -0.108 0.000 1.142 172 A HN 1.136 nan 8.150 nan 0.000 0.499 173 V N 2.478 122.314 119.914 -0.130 0.000 2.334 173 V HA 0.349 4.455 4.120 -0.025 0.000 0.281 173 V C -2.389 173.557 176.094 -0.248 0.000 1.016 173 V CA -1.518 60.692 62.300 -0.150 0.000 0.832 173 V CB 1.029 32.779 31.823 -0.123 0.000 0.999 173 V HN 0.747 nan 8.190 nan 0.000 0.439 174 P HA 0.231 nan 4.420 nan 0.000 0.276 174 P C -0.655 176.179 177.300 -0.776 0.000 1.235 174 P CA -0.076 62.668 63.100 -0.594 0.000 0.772 174 P CB 1.161 32.438 31.700 -0.706 0.000 0.871 175 V N 5.185 124.668 119.914 -0.719 0.000 2.350 175 V HA 0.322 4.427 4.120 -0.025 0.000 0.285 175 V C -0.243 175.555 176.094 -0.492 0.000 1.014 175 V CA -0.355 61.627 62.300 -0.531 0.000 0.831 175 V CB 0.176 31.804 31.823 -0.324 0.000 1.000 175 V HN 0.320 nan 8.190 nan 0.000 0.433 176 F N 5.312 125.239 119.950 -0.039 0.000 2.404 176 F HA 0.647 5.159 4.527 -0.025 0.000 0.339 176 F C 0.133 175.967 175.800 0.058 0.000 1.105 176 F CA -0.834 57.175 58.000 0.016 0.000 1.087 176 F CB 1.423 40.471 39.000 0.080 0.000 1.143 176 F HN 0.321 nan 8.300 nan 0.000 0.491 177 I N 5.833 126.576 120.570 0.289 0.000 2.534 177 I HA 0.481 4.636 4.170 -0.025 0.000 0.288 177 I C -2.695 173.600 176.117 0.298 0.000 1.077 177 I CA -2.547 58.895 61.300 0.236 0.000 1.051 177 I CB 2.504 40.593 38.000 0.149 0.000 1.234 177 I HN 0.281 nan 8.210 nan 0.000 0.425 178 P HA 0.261 nan 4.420 nan 0.000 0.281 178 P C -1.048 176.497 177.300 0.409 0.000 1.249 178 P CA -0.408 62.934 63.100 0.404 0.000 0.810 178 P CB 1.264 33.233 31.700 0.449 0.000 1.008 179 L N 2.954 124.460 121.223 0.472 0.000 2.367 179 L HA 0.294 4.619 4.340 -0.025 0.000 0.275 179 L C 1.225 178.493 176.870 0.664 0.000 1.129 179 L CA -0.027 55.117 54.840 0.507 0.000 0.839 179 L CB 0.011 42.307 42.059 0.397 0.000 1.133 179 L HN 0.277 nan 8.230 nan 0.000 0.453 180 R N 1.668 122.417 120.500 0.416 0.000 2.637 180 R HA 0.434 4.759 4.340 -0.025 0.000 0.291 180 R C -0.353 175.883 176.300 -0.107 0.000 0.963 180 R CA -0.689 55.511 56.100 0.167 0.000 0.901 180 R CB 1.934 32.273 30.300 0.066 0.000 1.160 180 R HN 0.670 nan 8.270 nan 0.000 0.457 181 S N 2.137 117.464 115.700 -0.621 0.000 2.600 181 S HA 0.221 4.676 4.470 -0.025 0.000 0.265 181 S C -0.035 174.354 174.600 -0.351 0.000 1.325 181 S CA -0.677 57.068 58.200 -0.760 0.000 1.002 181 S CB 0.688 63.296 63.200 -0.987 0.000 0.921 181 S HN 0.638 nan 8.310 nan 0.000 0.554 182 K N -1.116 119.122 120.400 -0.271 0.000 2.433 182 K HA 0.654 4.960 4.320 -0.025 0.000 0.252 182 K C -3.462 173.037 176.600 -0.169 0.000 1.015 182 K CA -2.406 53.776 56.287 -0.174 0.000 0.860 182 K CB -0.049 32.383 32.500 -0.113 0.000 1.359 182 K HN 0.225 nan 8.250 nan 0.000 0.452 183 P HA 0.044 nan 4.420 nan 0.000 0.266 183 P C -0.665 176.576 177.300 -0.098 0.000 1.195 183 P CA 0.024 63.043 63.100 -0.136 0.000 0.768 183 P CB 0.426 32.063 31.700 -0.106 0.000 0.838 184 T N 1.431 115.918 114.554 -0.113 0.000 2.882 184 T HA 0.038 4.373 4.350 -0.025 0.000 0.287 184 T C 1.217 175.900 174.700 -0.029 0.000 1.014 184 T CA -0.087 61.985 62.100 -0.047 0.000 1.049 184 T CB 0.273 69.079 68.868 -0.103 0.000 1.001 184 T HN 0.521 nan 8.240 nan 0.000 0.525 185 D N 0.113 120.518 120.400 0.008 0.000 2.384 185 D HA 0.026 4.651 4.640 -0.025 0.000 0.222 185 D C 1.438 177.733 176.300 -0.009 0.000 0.976 185 D CA 1.153 55.155 54.000 0.003 0.000 0.915 185 D CB -0.354 40.459 40.800 0.022 0.000 0.896 185 D HN 0.834 nan 8.370 nan 0.000 0.523 186 G N -0.132 108.658 108.800 -0.017 0.000 2.313 186 G HA2 -0.333 3.613 3.960 -0.025 0.000 0.215 186 G HA3 -0.333 3.613 3.960 -0.025 0.000 0.215 186 G C 1.104 175.995 174.900 -0.014 0.000 1.023 186 G CA 0.329 45.412 45.100 -0.029 0.000 0.626 186 G HN 0.377 nan 8.290 nan 0.000 0.503 187 M N -0.071 119.532 119.600 0.006 0.000 2.466 187 M HA 0.429 4.894 4.480 -0.025 0.000 0.265 187 M C 0.891 177.212 176.300 0.035 0.000 1.122 187 M CA 1.076 56.383 55.300 0.012 0.000 1.157 187 M CB 0.537 33.144 32.600 0.012 0.000 1.352 187 M HN 0.091 nan 8.290 nan 0.000 0.464 188 K N -0.497 119.942 120.400 0.066 0.000 2.525 188 K HA 0.209 4.515 4.320 -0.025 0.000 0.254 188 K C -2.174 174.555 176.600 0.215 0.000 0.934 188 K CA -0.576 55.781 56.287 0.115 0.000 0.802 188 K CB 2.023 34.578 32.500 0.093 0.000 1.295 188 K HN 0.010 nan 8.250 nan 0.000 0.433 189 W N 4.495 125.809 121.300 0.023 0.000 2.331 189 W HA 0.304 4.949 4.660 -0.024 0.000 0.306 189 W C -0.353 176.224 176.519 0.095 0.000 1.162 189 W CA -0.311 57.066 57.345 0.054 0.000 1.232 189 W CB 0.544 30.041 29.460 0.061 0.000 1.235 189 W HN 0.600 nan 8.180 nan 0.000 0.479 190 T N 0.985 115.706 114.554 0.278 0.000 2.888 190 T HA 0.353 4.688 4.350 -0.025 0.000 0.288 190 T C 0.782 175.561 174.700 0.132 0.000 1.063 190 T CA -0.523 61.648 62.100 0.119 0.000 1.010 190 T CB 1.697 70.655 68.868 0.151 0.000 1.214 190 T HN 0.148 nan 8.240 nan 0.000 0.533 191 S N 0.416 116.159 115.700 0.071 0.000 2.419 191 S HA -0.056 4.399 4.470 -0.025 0.000 0.233 191 S C 2.066 176.758 174.600 0.153 0.000 1.016 191 S CA 1.344 59.589 58.200 0.075 0.000 0.974 191 S CB -0.626 62.555 63.200 -0.033 0.000 0.786 191 S HN 0.729 nan 8.310 nan 0.000 0.492 192 S N 1.234 117.014 115.700 0.134 0.000 2.515 192 S HA -0.018 4.437 4.470 -0.025 0.000 0.231 192 S C 0.913 175.601 174.600 0.146 0.000 0.987 192 S CA 0.497 58.779 58.200 0.136 0.000 0.936 192 S CB -0.152 63.167 63.200 0.198 0.000 0.766 192 S HN 0.464 nan 8.310 nan 0.000 0.528 193 D N -0.223 120.302 120.400 0.210 0.000 2.349 193 D HA 0.057 4.682 4.640 -0.025 0.000 0.224 193 D C -0.411 175.913 176.300 0.040 0.000 1.029 193 D CA 0.298 54.386 54.000 0.146 0.000 0.879 193 D CB 0.142 41.099 40.800 0.262 0.000 0.906 193 D HN 0.401 nan 8.370 nan 0.000 0.528 194 W N 0.240 121.571 121.300 0.052 0.000 2.606 194 W HA 0.486 5.131 4.660 -0.025 0.000 0.332 194 W C 0.703 177.189 176.519 -0.055 0.000 1.052 194 W CA -0.389 56.974 57.345 0.030 0.000 1.223 194 W CB 1.766 31.233 29.460 0.011 0.000 1.383 194 W HN -0.425 nan 8.180 nan 0.000 0.524 195 T N 1.607 116.263 114.554 0.170 0.000 2.653 195 T HA 0.606 4.941 4.350 -0.025 0.000 0.306 195 T C -1.865 172.911 174.700 0.126 0.000 1.426 195 T CA -0.695 61.408 62.100 0.006 0.000 1.008 195 T CB 0.205 68.975 68.868 -0.165 0.000 1.692 195 T HN 0.218 nan 8.240 nan 0.000 0.483 196 F N 0.526 120.518 119.950 0.070 0.000 2.579 196 F HA 0.788 5.299 4.527 -0.025 0.000 0.324 196 F C -0.378 175.472 175.800 0.082 0.000 1.058 196 F CA -1.212 56.852 58.000 0.107 0.000 0.944 196 F CB 0.808 39.898 39.000 0.149 0.000 1.245 196 F HN 0.348 nan 8.300 nan 0.000 0.477 197 D N 2.645 123.196 120.400 0.253 0.000 2.325 197 D HA 0.302 4.927 4.640 -0.025 0.000 0.251 197 D C -1.925 174.551 176.300 0.293 0.000 1.196 197 D CA -2.450 51.645 54.000 0.159 0.000 0.866 197 D CB 1.659 42.538 40.800 0.132 0.000 1.101 197 D HN 0.244 nan 8.370 nan 0.000 0.476 198 P HA -0.042 nan 4.420 nan 0.000 0.220 198 P C 1.050 178.471 177.300 0.201 0.000 1.148 198 P CA 0.933 64.201 63.100 0.281 0.000 0.803 198 P CB 0.351 32.139 31.700 0.146 0.000 0.782 199 R N -0.417 120.167 120.500 0.140 0.000 2.093 199 R HA -0.044 4.281 4.340 -0.025 0.000 0.224 199 R C 2.323 178.698 176.300 0.123 0.000 1.101 199 R CA 0.900 57.066 56.100 0.109 0.000 0.979 199 R CB -0.596 29.749 30.300 0.075 0.000 0.877 199 R HN 0.263 nan 8.270 nan 0.000 0.441 200 E N 1.017 121.300 120.200 0.139 0.000 2.058 200 E HA -0.226 4.109 4.350 -0.025 0.000 0.194 200 E C 1.880 178.581 176.600 0.169 0.000 0.997 200 E CA 1.032 57.518 56.400 0.143 0.000 0.801 200 E CB 0.037 29.826 29.700 0.150 0.000 0.746 200 E HN 0.075 nan 8.360 nan 0.000 0.450 201 L N 1.826 123.183 121.223 0.224 0.000 1.970 201 L HA -0.242 4.083 4.340 -0.025 0.000 0.212 201 L C 2.328 179.363 176.870 0.274 0.000 1.071 201 L CA 2.555 57.528 54.840 0.222 0.000 0.751 201 L CB -0.868 41.322 42.059 0.219 0.000 0.889 201 L HN 0.229 nan 8.230 nan 0.000 0.432 202 E N -0.616 119.711 120.200 0.212 0.000 2.086 202 E HA -0.307 4.028 4.350 -0.025 0.000 0.200 202 E C 2.090 178.808 176.600 0.197 0.000 1.012 202 E CA 1.969 58.471 56.400 0.170 0.000 0.812 202 E CB -0.335 29.427 29.700 0.104 0.000 0.743 202 E HN 0.701 nan 8.360 nan 0.000 0.453 203 S N -0.539 115.250 115.700 0.148 0.000 2.500 203 S HA -0.078 4.377 4.470 -0.025 0.000 0.239 203 S C 1.521 176.171 174.600 0.083 0.000 0.989 203 S CA 0.674 58.939 58.200 0.109 0.000 0.951 203 S CB -0.038 63.214 63.200 0.087 0.000 0.759 203 S HN 0.128 nan 8.310 nan 0.000 0.523 204 K N 0.259 120.717 120.400 0.097 0.000 2.323 204 K HA 0.312 4.617 4.320 -0.025 0.000 0.197 204 K C -0.271 176.239 176.600 -0.150 0.000 1.043 204 K CA -0.067 56.203 56.287 -0.029 0.000 0.997 204 K CB -0.335 32.120 32.500 -0.075 0.000 0.807 204 K HN 0.451 nan 8.250 nan 0.000 0.497 205 F N 1.811 121.639 119.950 -0.205 0.000 2.467 205 F HA 0.071 4.582 4.527 -0.026 0.000 0.362 205 F C 1.144 176.712 175.800 -0.386 0.000 1.090 205 F CA -0.023 57.722 58.000 -0.425 0.000 1.202 205 F CB 0.840 39.402 39.000 -0.730 0.000 1.113 205 F HN -0.108 nan 8.300 nan 0.000 0.541 206 S N 0.069 115.662 115.700 -0.179 0.000 2.705 206 S HA 0.315 4.770 4.470 -0.025 0.000 0.280 206 S C 0.673 175.305 174.600 0.054 0.000 1.174 206 S CA -0.137 58.055 58.200 -0.013 0.000 0.823 206 S CB 1.048 64.234 63.200 -0.024 0.000 1.162 206 S HN 0.552 nan 8.310 nan 0.000 0.487 207 S N 0.351 116.108 115.700 0.095 0.000 2.465 207 S HA -0.065 4.390 4.470 -0.025 0.000 0.241 207 S C 1.093 175.708 174.600 0.025 0.000 1.000 207 S CA 0.780 59.031 58.200 0.085 0.000 0.964 207 S CB -0.663 62.574 63.200 0.062 0.000 0.763 207 S HN 0.681 nan 8.310 nan 0.000 0.512 208 K N 1.049 121.438 120.400 -0.018 0.000 2.426 208 K HA 0.099 4.404 4.320 -0.025 0.000 0.193 208 K C -0.086 176.457 176.600 -0.095 0.000 1.028 208 K CA 0.223 56.478 56.287 -0.054 0.000 1.047 208 K CB -0.014 32.448 32.500 -0.064 0.000 0.821 208 K HN 0.342 nan 8.250 nan 0.000 0.513 209 T N 2.108 116.590 114.554 -0.120 0.000 2.817 209 T HA 0.031 4.366 4.350 -0.025 0.000 0.295 209 T C 0.969 175.595 174.700 -0.125 0.000 0.958 209 T CA 0.222 62.203 62.100 -0.199 0.000 1.157 209 T CB 1.227 69.883 68.868 -0.354 0.000 0.898 209 T HN 0.010 nan 8.240 nan 0.000 0.536 210 K N 2.209 122.522 120.400 -0.145 0.000 2.276 210 K HA 0.487 4.792 4.320 -0.025 0.000 0.198 210 K C 0.356 176.889 176.600 -0.112 0.000 1.052 210 K CA 0.334 56.557 56.287 -0.106 0.000 0.984 210 K CB 0.475 32.906 32.500 -0.115 0.000 0.836 210 K HN 0.728 nan 8.250 nan 0.000 0.490 211 A N -0.013 122.705 122.820 -0.171 0.000 2.610 211 A HA 0.593 4.899 4.320 -0.025 0.000 0.291 211 A C -1.676 175.767 177.584 -0.236 0.000 1.086 211 A CA -0.721 51.217 52.037 -0.165 0.000 0.677 211 A CB 0.781 19.683 19.000 -0.163 0.000 1.278 211 A HN 0.184 nan 8.150 nan 0.000 0.414 212 I N 0.855 121.312 120.570 -0.187 0.000 2.569 212 I HA 0.649 4.804 4.170 -0.025 0.000 0.296 212 I C -1.348 174.647 176.117 -0.203 0.000 1.028 212 I CA -1.295 59.877 61.300 -0.213 0.000 1.082 212 I CB 1.334 39.248 38.000 -0.144 0.000 1.264 212 I HN 0.580 nan 8.210 nan 0.000 0.429 213 I N 7.722 128.148 120.570 -0.240 0.000 2.315 213 I HA 0.253 4.408 4.170 -0.025 0.000 0.291 213 I C -0.770 175.213 176.117 -0.223 0.000 1.006 213 I CA -0.555 60.563 61.300 -0.304 0.000 1.265 213 I CB 1.491 39.191 38.000 -0.500 0.000 1.387 213 I HN 0.385 nan 8.210 nan 0.000 0.475 214 L N 7.973 129.059 121.223 -0.228 0.000 2.329 214 L HA 0.470 4.796 4.340 -0.025 0.000 0.279 214 L C -0.560 176.214 176.870 -0.161 0.000 1.014 214 L CA -0.052 54.653 54.840 -0.224 0.000 0.814 214 L CB 1.378 43.276 42.059 -0.269 0.000 1.257 214 L HN 0.608 nan 8.230 nan 0.000 0.424 215 N N 2.963 121.623 118.700 -0.065 0.000 2.623 215 N HA 0.310 5.035 4.740 -0.025 0.000 0.256 215 N C -1.554 174.004 175.510 0.079 0.000 1.045 215 N CA -0.108 52.985 53.050 0.072 0.000 0.863 215 N CB 0.938 39.572 38.487 0.244 0.000 1.182 215 N HN 0.699 nan 8.380 nan 0.000 0.523 216 T N 2.910 117.480 114.554 0.027 0.000 2.921 216 T HA 0.455 4.790 4.350 -0.025 0.000 0.297 216 T C -2.871 171.971 174.700 0.237 0.000 1.013 216 T CA -1.596 60.597 62.100 0.155 0.000 0.990 216 T CB 1.541 70.455 68.868 0.077 0.000 1.023 216 T HN 0.260 nan 8.240 nan 0.000 0.447 217 P HA 0.100 nan 4.420 nan 0.000 0.265 217 P C -0.588 176.858 177.300 0.244 0.000 1.193 217 P CA -0.135 63.097 63.100 0.220 0.000 0.765 217 P CB 0.166 31.923 31.700 0.095 0.000 0.823 218 H N 3.580 122.744 119.070 0.157 0.000 2.683 218 H HA 0.150 4.691 4.556 -0.025 0.000 0.339 218 H C -0.365 174.969 175.328 0.011 0.000 1.081 218 H CA 0.136 56.270 56.048 0.143 0.000 1.432 218 H CB 0.452 30.338 29.762 0.207 0.000 1.462 218 H HN 0.271 nan 8.280 nan 0.000 0.557 219 N N 6.247 124.710 118.700 -0.395 0.000 2.392 219 N HA 0.179 4.904 4.740 -0.025 0.000 0.283 219 N C -2.145 172.881 175.510 -0.807 0.000 1.003 219 N CA -2.302 50.501 53.050 -0.412 0.000 0.892 219 N CB 1.807 40.211 38.487 -0.138 0.000 1.193 219 N HN 0.351 nan 8.380 nan 0.000 0.487 220 P HA 0.062 nan 4.420 nan 0.000 0.245 220 P C 1.063 178.251 177.300 -0.186 0.000 1.203 220 P CA 0.085 62.853 63.100 -0.554 0.000 0.792 220 P CB 0.707 31.956 31.700 -0.751 0.000 0.997 221 L N 0.025 121.259 121.223 0.019 0.000 2.217 221 L HA 0.185 4.510 4.340 -0.025 0.000 0.211 221 L C 1.995 178.838 176.870 -0.045 0.000 1.107 221 L CA 1.989 56.766 54.840 -0.105 0.000 0.783 221 L CB -1.554 40.324 42.059 -0.302 0.000 0.919 221 L HN 0.201 nan 8.230 nan 0.000 0.442 222 G N -0.977 107.855 108.800 0.053 0.000 2.157 222 G HA2 -0.353 3.592 3.960 -0.025 0.000 0.248 222 G HA3 -0.353 3.592 3.960 -0.025 0.000 0.248 222 G C 0.646 175.560 174.900 0.022 0.000 0.979 222 G CA 0.386 45.504 45.100 0.030 0.000 0.650 222 G HN 0.349 nan 8.290 nan 0.000 0.529 223 K N 0.730 121.154 120.400 0.039 0.000 2.416 223 K HA 0.414 4.719 4.320 -0.025 0.000 0.283 223 K C 0.112 176.780 176.600 0.113 0.000 1.037 223 K CA -0.272 56.020 56.287 0.008 0.000 0.995 223 K CB 0.543 32.974 32.500 -0.115 0.000 0.938 223 K HN 0.029 nan 8.250 nan 0.000 0.475 224 V N 6.870 126.802 119.914 0.029 0.000 2.318 224 V HA 0.127 4.233 4.120 -0.025 0.000 0.271 224 V C -0.534 175.661 176.094 0.168 0.000 1.030 224 V CA -0.665 61.702 62.300 0.111 0.000 0.844 224 V CB -0.086 31.744 31.823 0.010 0.000 1.015 224 V HN 0.659 nan 8.190 nan 0.000 0.460 225 Y N 3.255 123.594 120.300 0.065 0.000 2.597 225 Y HA 0.177 4.713 4.550 -0.023 0.000 0.336 225 Y C 1.537 177.474 175.900 0.061 0.000 1.216 225 Y CA 0.201 58.354 58.100 0.088 0.000 1.463 225 Y CB 0.785 39.311 38.460 0.110 0.000 1.303 225 Y HN 0.712 nan 8.280 nan 0.000 0.576 226 T N 0.087 114.756 114.554 0.191 0.000 2.902 226 T HA 0.252 4.587 4.350 -0.025 0.000 0.280 226 T C 1.137 175.907 174.700 0.116 0.000 0.992 226 T CA -0.920 61.253 62.100 0.122 0.000 1.015 226 T CB 1.568 70.481 68.868 0.075 0.000 1.044 226 T HN 0.779 nan 8.240 nan 0.000 0.520 227 R N 0.355 120.898 120.500 0.071 0.000 2.103 227 R HA -0.186 4.139 4.340 -0.025 0.000 0.242 227 R C 2.391 178.733 176.300 0.069 0.000 1.142 227 R CA 1.991 58.124 56.100 0.055 0.000 0.960 227 R CB -0.407 29.912 30.300 0.032 0.000 0.858 227 R HN 0.773 nan 8.270 nan 0.000 0.439 228 Q N 0.208 120.043 119.800 0.058 0.000 2.061 228 Q HA -0.181 4.144 4.340 -0.025 0.000 0.204 228 Q C 1.905 177.957 176.000 0.087 0.000 0.984 228 Q CA 2.111 57.944 55.803 0.050 0.000 0.846 228 Q CB -0.047 28.699 28.738 0.013 0.000 0.902 228 Q HN 0.464 nan 8.270 nan 0.000 0.421 229 E N 0.210 120.479 120.200 0.115 0.000 2.085 229 E HA -0.177 4.158 4.350 -0.025 0.000 0.194 229 E C 1.921 178.772 176.600 0.417 0.000 0.994 229 E CA 1.077 57.645 56.400 0.279 0.000 0.801 229 E CB -0.173 29.729 29.700 0.336 0.000 0.743 229 E HN 0.310 nan 8.360 nan 0.000 0.453 230 L N 0.602 121.991 121.223 0.276 0.000 2.093 230 L HA -0.204 4.121 4.340 -0.025 0.000 0.208 230 L C 2.664 179.614 176.870 0.132 0.000 1.085 230 L CA 0.836 55.785 54.840 0.181 0.000 0.755 230 L CB -0.322 41.791 42.059 0.089 0.000 0.904 230 L HN 0.133 nan 8.230 nan 0.000 0.435 231 Q N 0.270 120.141 119.800 0.117 0.000 2.124 231 Q HA -0.150 4.175 4.340 -0.025 0.000 0.202 231 Q C 2.105 178.159 176.000 0.091 0.000 0.977 231 Q CA 1.769 57.621 55.803 0.082 0.000 0.850 231 Q CB -0.343 28.432 28.738 0.062 0.000 0.901 231 Q HN 0.301 nan 8.270 nan 0.000 0.429 232 V N 0.189 120.194 119.914 0.152 0.000 2.307 232 V HA -0.234 3.871 4.120 -0.025 0.000 0.245 232 V C 2.220 178.386 176.094 0.120 0.000 1.045 232 V CA 1.733 64.132 62.300 0.165 0.000 1.024 232 V CB -0.514 31.496 31.823 0.312 0.000 0.651 232 V HN 0.370 nan 8.190 nan 0.000 0.449 233 I N 0.567 121.233 120.570 0.159 0.000 2.163 233 I HA -0.276 3.879 4.170 -0.025 0.000 0.243 233 I C 2.717 178.841 176.117 0.010 0.000 1.085 233 I CA 1.652 62.987 61.300 0.059 0.000 1.347 233 I CB -0.702 37.325 38.000 0.045 0.000 1.044 233 I HN 0.293 nan 8.210 nan 0.000 0.408 234 A N 0.666 123.503 122.820 0.029 0.000 1.883 234 A HA -0.274 4.031 4.320 -0.025 0.000 0.217 234 A C 1.975 179.550 177.584 -0.014 0.000 1.186 234 A CA 2.266 54.311 52.037 0.015 0.000 0.624 234 A CB -0.741 18.277 19.000 0.030 0.000 0.822 234 A HN 0.376 nan 8.150 nan 0.000 0.444 235 D N 0.038 120.426 120.400 -0.021 0.000 2.116 235 D HA -0.165 4.460 4.640 -0.025 0.000 0.193 235 D C 1.910 178.146 176.300 -0.107 0.000 0.998 235 D CA 1.357 55.330 54.000 -0.046 0.000 0.836 235 D CB -0.374 40.407 40.800 -0.032 0.000 0.951 235 D HN 0.488 nan 8.370 nan 0.000 0.449 236 L N 0.002 121.097 121.223 -0.214 0.000 2.109 236 L HA -0.120 4.205 4.340 -0.025 0.000 0.207 236 L C 2.657 179.319 176.870 -0.346 0.000 1.086 236 L CA 0.589 55.149 54.840 -0.467 0.000 0.760 236 L CB -0.242 41.156 42.059 -1.102 0.000 0.910 236 L HN 0.125 nan 8.230 nan 0.000 0.437 237 C N -1.013 118.199 119.300 -0.147 0.000 2.446 237 C HA -0.102 4.343 4.460 -0.025 0.000 0.277 237 C C 2.819 177.845 174.990 0.060 0.000 1.275 237 C CA 0.285 59.349 59.018 0.076 0.000 1.727 237 C CB -0.425 27.369 27.740 0.090 0.000 2.010 237 C HN 0.316 nan 8.230 nan 0.000 0.486 238 V N 1.674 121.594 119.914 0.010 0.000 2.261 238 V HA -0.248 3.857 4.120 -0.025 0.000 0.246 238 V C 2.510 178.593 176.094 -0.017 0.000 1.047 238 V CA 2.390 64.694 62.300 0.006 0.000 1.015 238 V CB -0.747 31.076 31.823 0.001 0.000 0.642 238 V HN 0.634 nan 8.190 nan 0.000 0.446 239 K N -0.572 119.792 120.400 -0.060 0.000 2.103 239 K HA -0.212 4.093 4.320 -0.025 0.000 0.207 239 K C 1.947 178.418 176.600 -0.216 0.000 1.048 239 K CA 1.875 58.078 56.287 -0.140 0.000 0.930 239 K CB -0.254 32.134 32.500 -0.186 0.000 0.716 239 K HN 0.602 nan 8.250 nan 0.000 0.444 240 H N -0.337 118.721 119.070 -0.020 0.000 2.551 240 H HA 0.012 4.553 4.556 -0.026 0.000 0.271 240 H C -0.215 175.150 175.328 0.062 0.000 0.984 240 H CA 0.672 56.755 56.048 0.058 0.000 1.164 240 H CB 0.280 30.154 29.762 0.187 0.000 1.437 240 H HN 0.384 nan 8.280 nan 0.000 0.550 241 D N 2.105 122.579 120.400 0.123 0.000 2.746 241 D HA -0.142 4.484 4.640 -0.025 0.000 0.241 241 D C 0.088 176.451 176.300 0.105 0.000 1.140 241 D CA 1.095 55.147 54.000 0.086 0.000 0.707 241 D CB -0.941 39.889 40.800 0.051 0.000 1.034 241 D HN 0.553 nan 8.370 nan 0.000 0.423 242 T N -2.549 112.087 114.554 0.138 0.000 2.938 242 T HA 0.719 5.054 4.350 -0.025 0.000 0.285 242 T C 0.239 174.973 174.700 0.057 0.000 1.028 242 T CA -1.190 60.972 62.100 0.104 0.000 1.005 242 T CB 1.425 70.393 68.868 0.166 0.000 1.157 242 T HN 0.026 nan 8.240 nan 0.000 0.550 243 L N 0.580 121.805 121.223 0.004 0.000 2.399 243 L HA 0.600 4.925 4.340 -0.025 0.000 0.265 243 L C 0.390 177.233 176.870 -0.044 0.000 1.089 243 L CA -0.977 53.841 54.840 -0.037 0.000 0.802 243 L CB 1.121 43.132 42.059 -0.080 0.000 1.180 243 L HN 1.046 nan 8.230 nan 0.000 0.454 244 C N 3.680 122.938 119.300 -0.070 0.000 2.369 244 C HA 0.667 5.112 4.460 -0.025 0.000 0.322 244 C C -0.205 174.705 174.990 -0.133 0.000 1.258 244 C CA -0.752 58.213 59.018 -0.089 0.000 1.487 244 C CB -0.279 27.424 27.740 -0.062 0.000 2.165 244 C HN 0.609 nan 8.230 nan 0.000 0.483 245 I N 5.405 125.874 120.570 -0.168 0.000 2.330 245 I HA 0.305 4.460 4.170 -0.025 0.000 0.289 245 I C 0.270 176.263 176.117 -0.206 0.000 1.001 245 I CA 0.316 61.501 61.300 -0.192 0.000 1.193 245 I CB 1.529 39.395 38.000 -0.224 0.000 1.345 245 I HN 0.660 nan 8.210 nan 0.000 0.461 246 S N 4.978 120.576 115.700 -0.170 0.000 2.520 246 S HA 0.181 4.636 4.470 -0.025 0.000 0.324 246 S C -0.557 173.960 174.600 -0.140 0.000 1.069 246 S CA -0.687 57.421 58.200 -0.154 0.000 1.121 246 S CB 0.439 63.568 63.200 -0.119 0.000 0.971 246 S HN 0.549 nan 8.310 nan 0.000 0.463 247 D N 3.955 124.269 120.400 -0.144 0.000 2.374 247 D HA 0.163 4.788 4.640 -0.025 0.000 0.240 247 D C 0.178 176.416 176.300 -0.103 0.000 1.229 247 D CA -0.024 53.901 54.000 -0.126 0.000 0.895 247 D CB 0.606 41.373 40.800 -0.055 0.000 1.046 247 D HN 0.661 nan 8.370 nan 0.000 0.498 248 E N 2.724 122.843 120.200 -0.135 0.000 2.869 248 E HA 0.035 4.370 4.350 -0.025 0.000 0.207 248 E C 1.809 178.257 176.600 -0.253 0.000 0.986 248 E CA -0.068 56.267 56.400 -0.108 0.000 1.131 248 E CB 0.806 30.505 29.700 -0.001 0.000 1.098 248 E HN 0.422 nan 8.360 nan 0.000 0.459 249 V N -1.433 118.254 119.914 -0.379 0.000 2.453 249 V HA -0.288 3.817 4.120 -0.025 0.000 0.252 249 V C 1.329 177.088 176.094 -0.559 0.000 1.068 249 V CA 1.473 63.449 62.300 -0.540 0.000 1.070 249 V CB -0.832 30.538 31.823 -0.755 0.000 0.664 249 V HN 0.287 nan 8.190 nan 0.000 0.461 250 Y N 2.289 122.445 120.300 -0.239 0.000 2.495 250 Y HA 0.264 4.800 4.550 -0.023 0.000 0.293 250 Y C 2.289 177.998 175.900 -0.317 0.000 1.186 250 Y CA -0.135 57.801 58.100 -0.273 0.000 1.266 250 Y CB -0.965 37.314 38.460 -0.302 0.000 1.101 250 Y HN 0.574 nan 8.280 nan 0.000 0.517 251 E N -0.883 119.076 120.200 -0.401 0.000 2.160 251 E HA -0.258 4.077 4.350 -0.025 0.000 0.195 251 E C 0.903 177.064 176.600 -0.732 0.000 0.991 251 E CA 1.769 57.626 56.400 -0.905 0.000 0.810 251 E CB -0.630 28.321 29.700 -1.247 0.000 0.742 251 E HN 0.609 nan 8.360 nan 0.000 0.466 252 W N 1.304 122.452 121.300 -0.254 0.000 2.678 252 W HA 0.197 4.840 4.660 -0.029 0.000 0.256 252 W C 0.779 177.198 176.519 -0.167 0.000 1.280 252 W CA -0.273 56.963 57.345 -0.182 0.000 1.345 252 W CB 0.169 29.542 29.460 -0.145 0.000 1.118 252 W HN -0.073 nan 8.180 nan 0.000 0.629 253 L N 1.965 123.173 121.223 -0.026 0.000 2.598 253 L HA 0.294 4.619 4.340 -0.025 0.000 0.241 253 L C 0.005 176.612 176.870 -0.438 0.000 1.244 253 L CA -0.518 54.208 54.840 -0.190 0.000 1.198 253 L CB -0.510 41.462 42.059 -0.147 0.000 1.448 253 L HN -0.259 nan 8.230 nan 0.000 0.406 254 V N -0.853 118.836 119.914 -0.375 0.000 2.680 254 V HA 0.573 4.678 4.120 -0.025 0.000 0.309 254 V C -0.892 175.025 176.094 -0.296 0.000 1.052 254 V CA -0.402 61.669 62.300 -0.383 0.000 0.908 254 V CB 2.121 33.897 31.823 -0.078 0.000 1.001 254 V HN 0.254 nan 8.190 nan 0.000 0.431 255 Y N 1.567 121.953 120.300 0.143 0.000 2.519 255 Y HA 0.641 5.177 4.550 -0.023 0.000 0.324 255 Y C 1.296 177.306 175.900 0.182 0.000 1.214 255 Y CA -0.641 57.546 58.100 0.145 0.000 1.260 255 Y CB 0.915 39.449 38.460 0.123 0.000 1.311 255 Y HN 0.835 nan 8.280 nan 0.000 0.505 256 T N -0.132 114.608 114.554 0.310 0.000 2.933 256 T HA 0.328 4.664 4.350 -0.025 0.000 0.306 256 T C 1.171 175.959 174.700 0.148 0.000 1.045 256 T CA 0.785 62.993 62.100 0.180 0.000 1.143 256 T CB -0.077 68.862 68.868 0.117 0.000 1.003 256 T HN 1.181 nan 8.240 nan 0.000 0.540 257 G N 1.684 110.496 108.800 0.020 0.000 2.213 257 G HA2 -0.174 3.771 3.960 -0.025 0.000 0.226 257 G HA3 -0.174 3.771 3.960 -0.025 0.000 0.226 257 G C -0.145 174.475 174.900 -0.467 0.000 0.992 257 G CA -0.014 44.962 45.100 -0.205 0.000 0.632 257 G HN 1.013 nan 8.290 nan 0.000 0.511 258 H N -0.512 118.605 119.070 0.078 0.000 2.865 258 H HA 0.780 5.321 4.556 -0.025 0.000 0.372 258 H C -0.103 175.261 175.328 0.061 0.000 1.173 258 H CA 0.114 56.203 56.048 0.069 0.000 1.147 258 H CB 2.253 32.062 29.762 0.079 0.000 1.805 258 H HN 0.376 nan 8.280 nan 0.000 0.553 259 T N -0.453 114.210 114.554 0.182 0.000 2.952 259 T HA 0.194 4.529 4.350 -0.025 0.000 0.305 259 T C -1.198 173.568 174.700 0.110 0.000 1.064 259 T CA -0.820 61.354 62.100 0.123 0.000 1.008 259 T CB 0.702 69.617 68.868 0.078 0.000 1.078 259 T HN 0.728 nan 8.240 nan 0.000 0.459 260 H N 3.131 122.198 119.070 -0.004 0.000 3.091 260 H HA 0.478 5.018 4.556 -0.027 0.000 0.289 260 H C -0.407 174.889 175.328 -0.054 0.000 0.995 260 H CA 0.580 56.599 56.048 -0.048 0.000 1.461 260 H CB 0.029 29.708 29.762 -0.137 0.000 1.510 260 H HN 0.480 nan 8.280 nan 0.000 0.546 261 V N 6.711 126.386 119.914 -0.398 0.000 2.459 261 V HA 0.210 4.315 4.120 -0.025 0.000 0.295 261 V C -0.049 175.757 176.094 -0.480 0.000 1.029 261 V CA -0.964 61.155 62.300 -0.302 0.000 0.874 261 V CB 1.645 33.390 31.823 -0.130 0.000 0.985 261 V HN 0.748 nan 8.190 nan 0.000 0.438 262 K N 4.083 124.291 120.400 -0.320 0.000 2.267 262 K HA 0.374 4.679 4.320 -0.025 0.000 0.282 262 K C 0.992 177.498 176.600 -0.157 0.000 1.078 262 K CA -0.281 55.852 56.287 -0.257 0.000 0.903 262 K CB 1.592 33.911 32.500 -0.302 0.000 1.111 262 K HN 0.637 nan 8.250 nan 0.000 0.475 263 I N 2.772 123.270 120.570 -0.119 0.000 2.335 263 I HA -0.317 3.838 4.170 -0.025 0.000 0.251 263 I C 1.877 177.995 176.117 0.001 0.000 1.129 263 I CA 1.461 62.729 61.300 -0.053 0.000 1.402 263 I CB 0.139 38.106 38.000 -0.056 0.000 1.069 263 I HN 0.756 nan 8.210 nan 0.000 0.424 264 A N -0.220 122.614 122.820 0.024 0.000 2.125 264 A HA -0.194 4.111 4.320 -0.025 0.000 0.219 264 A C 2.154 179.888 177.584 0.250 0.000 1.156 264 A CA 1.817 53.948 52.037 0.157 0.000 0.671 264 A CB -1.063 18.095 19.000 0.264 0.000 0.794 264 A HN 0.606 nan 8.150 nan 0.000 0.459 265 T N -3.082 111.525 114.554 0.088 0.000 3.148 265 T HA 0.320 4.655 4.350 -0.025 0.000 0.253 265 T C 0.392 175.139 174.700 0.078 0.000 1.134 265 T CA -0.122 62.033 62.100 0.092 0.000 1.051 265 T CB -0.402 68.447 68.868 -0.032 0.000 0.959 265 T HN 0.023 nan 8.240 nan 0.000 0.525 266 L N 2.118 123.382 121.223 0.067 0.000 2.418 266 L HA 0.481 4.806 4.340 -0.025 0.000 0.265 266 L C -2.214 174.702 176.870 0.077 0.000 1.143 266 L CA -2.374 52.500 54.840 0.056 0.000 0.809 266 L CB 0.391 42.474 42.059 0.040 0.000 1.124 266 L HN -0.056 nan 8.230 nan 0.000 0.456 267 P HA 0.122 nan 4.420 nan 0.000 0.263 267 P C 0.666 178.008 177.300 0.071 0.000 1.175 267 P CA 1.049 64.188 63.100 0.064 0.000 0.761 267 P CB 0.437 32.163 31.700 0.042 0.000 0.794 268 G N 2.675 111.528 108.800 0.088 0.000 2.189 268 G HA2 -0.325 3.620 3.960 -0.025 0.000 0.267 268 G HA3 -0.325 3.620 3.960 -0.025 0.000 0.267 268 G C 0.886 175.848 174.900 0.103 0.000 0.975 268 G CA 0.298 45.450 45.100 0.086 0.000 0.644 268 G HN 0.413 nan 8.290 nan 0.000 0.537 269 M N -0.859 118.816 119.600 0.125 0.000 2.486 269 M HA 0.229 4.694 4.480 -0.025 0.000 0.264 269 M C 2.063 178.443 176.300 0.133 0.000 1.125 269 M CA 0.372 55.736 55.300 0.106 0.000 1.144 269 M CB -1.093 31.557 32.600 0.083 0.000 1.353 269 M HN 0.571 nan 8.290 nan 0.000 0.466 270 W N 3.231 124.573 121.300 0.070 0.000 2.321 270 W HA -0.273 4.384 4.660 -0.005 0.000 0.306 270 W C 1.349 177.914 176.519 0.077 0.000 1.217 270 W CA 2.361 59.758 57.345 0.087 0.000 1.257 270 W CB -0.161 29.351 29.460 0.086 0.000 1.145 270 W HN 0.463 nan 8.180 nan 0.000 0.509 271 E N 0.503 120.715 120.200 0.020 0.000 2.482 271 E HA -0.140 4.195 4.350 -0.025 0.000 0.196 271 E C 1.620 178.202 176.600 -0.031 0.000 1.047 271 E CA 0.805 57.216 56.400 0.019 0.000 0.869 271 E CB -0.355 29.454 29.700 0.183 0.000 0.836 271 E HN 0.441 nan 8.360 nan 0.000 0.520 272 R N 0.006 120.450 120.500 -0.094 0.000 2.566 272 R HA 0.257 4.582 4.340 -0.025 0.000 0.388 272 R C -0.508 175.717 176.300 -0.125 0.000 0.989 272 R CA -0.353 55.705 56.100 -0.070 0.000 1.164 272 R CB 0.592 30.893 30.300 0.003 0.000 1.459 272 R HN -0.152 nan 8.270 nan 0.000 0.553 273 T N 1.876 116.308 114.554 -0.204 0.000 2.841 273 T HA 0.494 4.829 4.350 -0.025 0.000 0.283 273 T C -0.559 173.985 174.700 -0.260 0.000 1.000 273 T CA -0.555 61.434 62.100 -0.185 0.000 0.977 273 T CB 2.155 70.960 68.868 -0.106 0.000 0.979 273 T HN 0.024 nan 8.240 nan 0.000 0.446 274 I N 3.191 123.638 120.570 -0.205 0.000 2.354 274 I HA 0.386 4.541 4.170 -0.025 0.000 0.292 274 I C 0.187 176.219 176.117 -0.141 0.000 0.989 274 I CA -0.504 60.677 61.300 -0.198 0.000 1.188 274 I CB 1.398 39.286 38.000 -0.186 0.000 1.342 274 I HN 0.607 nan 8.210 nan 0.000 0.457 275 T N 7.218 121.711 114.554 -0.102 0.000 2.824 275 T HA 0.658 4.993 4.350 -0.025 0.000 0.282 275 T C -0.007 174.646 174.700 -0.078 0.000 0.993 275 T CA -0.361 61.705 62.100 -0.055 0.000 0.967 275 T CB 1.784 70.686 68.868 0.057 0.000 0.960 275 T HN 0.256 nan 8.240 nan 0.000 0.441 276 I N 2.206 122.701 120.570 -0.124 0.000 2.404 276 I HA 0.682 4.838 4.170 -0.025 0.000 0.293 276 I C 0.695 176.635 176.117 -0.296 0.000 0.992 276 I CA -0.535 60.641 61.300 -0.206 0.000 1.149 276 I CB 1.902 39.783 38.000 -0.198 0.000 1.315 276 I HN 0.758 nan 8.210 nan 0.000 0.446 277 G N 2.741 111.195 108.800 -0.576 0.000 2.816 277 G HA2 0.692 4.637 3.960 -0.025 0.000 0.288 277 G HA3 0.692 4.637 3.960 -0.025 0.000 0.288 277 G C -1.593 172.537 174.900 -1.282 0.000 1.334 277 G CA -0.525 44.149 45.100 -0.711 0.000 0.978 277 G HN 0.472 nan 8.290 nan 0.000 0.493 278 S N -1.780 113.309 115.700 -1.018 0.000 2.566 278 S HA 0.542 4.997 4.470 -0.025 0.000 0.273 278 S C 0.934 175.366 174.600 -0.279 0.000 1.157 278 S CA 0.479 58.214 58.200 -0.774 0.000 0.938 278 S CB 1.417 64.361 63.200 -0.426 0.000 1.087 278 S HN 1.473 nan 8.310 nan 0.000 0.474 279 A N 4.052 126.876 122.820 0.008 0.000 1.902 279 A HA 0.133 4.438 4.320 -0.025 0.000 0.217 279 A C 2.115 179.801 177.584 0.170 0.000 1.181 279 A CA 2.162 54.442 52.037 0.404 0.000 0.623 279 A CB -1.540 17.767 19.000 0.511 0.000 0.818 279 A HN 1.274 nan 8.150 nan 0.000 0.443 280 G N -0.442 108.397 108.800 0.066 0.000 2.469 280 G HA2 -0.290 3.655 3.960 -0.025 0.000 0.219 280 G HA3 -0.290 3.655 3.960 -0.025 0.000 0.219 280 G C 1.666 176.585 174.900 0.031 0.000 1.150 280 G CA 1.632 46.741 45.100 0.015 0.000 0.763 280 G HN 0.475 nan 8.290 nan 0.000 0.561 281 K N -0.373 120.031 120.400 0.008 0.000 2.067 281 K HA 0.049 4.354 4.320 -0.025 0.000 0.203 281 K C 2.805 179.466 176.600 0.101 0.000 1.048 281 K CA 1.309 57.620 56.287 0.039 0.000 0.954 281 K CB -0.845 31.548 32.500 -0.178 0.000 0.737 281 K HN 0.315 nan 8.250 nan 0.000 0.444 282 T N -1.416 113.199 114.554 0.101 0.000 2.867 282 T HA -0.082 4.253 4.350 -0.025 0.000 0.268 282 T C 0.950 175.523 174.700 -0.210 0.000 1.057 282 T CA 1.079 63.194 62.100 0.026 0.000 1.136 282 T CB -0.128 68.840 68.868 0.165 0.000 0.874 282 T HN 0.072 nan 8.240 nan 0.000 0.466 283 F N 0.910 120.915 119.950 0.092 0.000 2.683 283 F HA 0.503 5.014 4.527 -0.027 0.000 0.306 283 F C 1.173 176.890 175.800 -0.138 0.000 1.102 283 F CA -0.565 57.393 58.000 -0.070 0.000 1.244 283 F CB 0.135 38.917 39.000 -0.364 0.000 1.029 283 F HN 0.016 nan 8.300 nan 0.000 0.545 284 S N 0.486 116.248 115.700 0.103 0.000 3.682 284 S HA -0.137 4.318 4.470 -0.025 0.000 0.354 284 S C 0.016 174.520 174.600 -0.160 0.000 1.034 284 S CA 0.725 58.929 58.200 0.007 0.000 1.084 284 S CB -2.026 61.213 63.200 0.065 0.000 0.903 284 S HN 0.364 nan 8.310 nan 0.000 0.470 285 V N -1.230 118.549 119.914 -0.226 0.000 2.361 285 V HA 0.484 4.589 4.120 -0.025 0.000 0.252 285 V C 1.368 177.365 176.094 -0.160 0.000 0.986 285 V CA -0.029 62.048 62.300 -0.372 0.000 1.033 285 V CB 0.070 31.275 31.823 -1.029 0.000 1.282 285 V HN 0.552 nan 8.190 nan 0.000 0.514 286 T N -1.006 113.485 114.554 -0.105 0.000 2.869 286 T HA -0.113 4.223 4.350 -0.025 0.000 0.270 286 T C 1.699 176.425 174.700 0.043 0.000 1.082 286 T CA 1.889 63.972 62.100 -0.027 0.000 1.123 286 T CB -0.344 68.492 68.868 -0.052 0.000 0.856 286 T HN 0.896 nan 8.240 nan 0.000 0.499 287 G N -1.038 107.810 108.800 0.080 0.000 2.985 287 G HA2 0.164 4.109 3.960 -0.025 0.000 0.209 287 G HA3 0.164 4.109 3.960 -0.025 0.000 0.209 287 G C 0.808 175.892 174.900 0.308 0.000 1.165 287 G CA -0.323 44.873 45.100 0.161 0.000 0.776 287 G HN 0.494 nan 8.290 nan 0.000 0.541 288 W N 0.328 121.621 121.300 -0.011 0.000 2.576 288 W HA 0.295 4.938 4.660 -0.027 0.000 0.270 288 W C 0.760 177.289 176.519 0.017 0.000 1.255 288 W CA -0.420 56.929 57.345 0.008 0.000 1.314 288 W CB 0.328 29.808 29.460 0.033 0.000 1.101 288 W HN -0.031 nan 8.180 nan 0.000 0.595 289 K N 0.559 121.096 120.400 0.229 0.000 3.689 289 K HA -0.194 4.111 4.320 -0.025 0.000 0.276 289 K C -0.855 175.820 176.600 0.125 0.000 0.932 289 K CA 0.807 57.163 56.287 0.115 0.000 0.758 289 K CB -2.032 30.489 32.500 0.036 0.000 1.500 289 K HN 0.250 nan 8.250 nan 0.000 0.448 290 L N 0.129 121.464 121.223 0.187 0.000 2.409 290 L HA 0.654 4.979 4.340 -0.025 0.000 0.272 290 L C 0.837 177.785 176.870 0.130 0.000 0.980 290 L CA -0.640 54.347 54.840 0.246 0.000 0.826 290 L CB 2.336 44.649 42.059 0.422 0.000 1.268 290 L HN 0.386 nan 8.230 nan 0.000 0.407 291 G N 1.415 110.240 108.800 0.042 0.000 2.949 291 G HA2 0.775 4.720 3.960 -0.025 0.000 0.285 291 G HA3 0.775 4.720 3.960 -0.025 0.000 0.285 291 G C -2.433 172.481 174.900 0.024 0.000 1.395 291 G CA -0.544 44.328 45.100 -0.379 0.000 0.901 291 G HN 0.622 nan 8.290 nan 0.000 0.519 292 W N -1.352 119.985 121.300 0.062 0.000 3.296 292 W HA 0.733 5.380 4.660 -0.021 0.000 0.314 292 W C -0.746 175.742 176.519 -0.051 0.000 1.238 292 W CA -1.191 56.166 57.345 0.020 0.000 1.193 292 W CB 1.184 30.641 29.460 -0.005 0.000 1.383 292 W HN 0.483 nan 8.180 nan 0.000 0.545 293 S N 2.349 118.122 115.700 0.122 0.000 2.437 293 S HA 0.679 5.134 4.470 -0.025 0.000 0.305 293 S C -0.610 173.989 174.600 -0.001 0.000 1.109 293 S CA -0.672 57.532 58.200 0.007 0.000 1.099 293 S CB 0.548 63.727 63.200 -0.036 0.000 1.004 293 S HN 0.400 nan 8.310 nan 0.000 0.475 294 I N 2.780 123.317 120.570 -0.056 0.000 2.436 294 I HA 0.739 4.895 4.170 -0.025 0.000 0.289 294 I C 0.576 176.568 176.117 -0.207 0.000 1.010 294 I CA -0.274 60.962 61.300 -0.107 0.000 1.098 294 I CB 1.802 39.719 38.000 -0.137 0.000 1.266 294 I HN 0.809 nan 8.210 nan 0.000 0.434 295 G N 6.698 115.303 108.800 -0.325 0.000 2.427 295 G HA2 0.412 4.357 3.960 -0.025 0.000 0.306 295 G HA3 0.412 4.357 3.960 -0.025 0.000 0.306 295 G C -3.305 171.177 174.900 -0.697 0.000 1.280 295 G CA -0.630 44.043 45.100 -0.712 0.000 0.837 295 G HN 0.257 nan 8.290 nan 0.000 0.482 296 P HA 0.348 nan 4.420 nan 0.000 0.271 296 P C 0.881 178.057 177.300 -0.208 0.000 1.218 296 P CA 0.640 63.519 63.100 -0.369 0.000 0.780 296 P CB 1.505 32.977 31.700 -0.379 0.000 0.901 297 A N 3.134 125.963 122.820 0.014 0.000 1.940 297 A HA -0.232 4.073 4.320 -0.025 0.000 0.219 297 A C 2.004 179.520 177.584 -0.112 0.000 1.176 297 A CA 1.734 53.751 52.037 -0.033 0.000 0.631 297 A CB -1.762 17.263 19.000 0.042 0.000 0.814 297 A HN 0.799 nan 8.150 nan 0.000 0.446 298 H N -0.732 118.270 119.070 -0.113 0.000 2.491 298 H HA 0.071 4.608 4.556 -0.032 0.000 0.290 298 H C 1.632 176.830 175.328 -0.216 0.000 1.050 298 H CA 1.420 57.377 56.048 -0.150 0.000 1.309 298 H CB -0.447 29.285 29.762 -0.051 0.000 1.392 298 H HN 0.475 nan 8.280 nan 0.000 0.554 299 L N 0.101 120.884 121.223 -0.733 0.000 2.200 299 L HA 0.009 4.334 4.340 -0.025 0.000 0.200 299 L C 2.707 179.369 176.870 -0.347 0.000 1.072 299 L CA 0.099 54.659 54.840 -0.467 0.000 0.787 299 L CB -0.075 41.674 42.059 -0.516 0.000 0.957 299 L HN 0.101 nan 8.230 nan 0.000 0.459 300 I N 1.489 121.853 120.570 -0.343 0.000 2.335 300 I HA -0.283 3.872 4.170 -0.025 0.000 0.251 300 I C 2.551 178.477 176.117 -0.319 0.000 1.129 300 I CA 1.537 62.671 61.300 -0.277 0.000 1.402 300 I CB -0.822 37.047 38.000 -0.219 0.000 1.069 300 I HN 0.474 nan 8.210 nan 0.000 0.424 301 K N 0.123 120.293 120.400 -0.383 0.000 2.147 301 K HA -0.206 4.099 4.320 -0.025 0.000 0.205 301 K C 1.872 178.236 176.600 -0.393 0.000 1.049 301 K CA 1.348 57.390 56.287 -0.409 0.000 0.936 301 K CB -0.541 31.722 32.500 -0.395 0.000 0.722 301 K HN 0.380 nan 8.250 nan 0.000 0.446 302 H N 0.806 119.770 119.070 -0.177 0.000 2.395 302 H HA 0.014 4.559 4.556 -0.019 0.000 0.299 302 H C 2.207 177.420 175.328 -0.191 0.000 1.070 302 H CA 0.951 56.901 56.048 -0.164 0.000 1.356 302 H CB -0.214 29.462 29.762 -0.143 0.000 1.401 302 H HN 0.077 nan 8.280 nan 0.000 0.524 303 L N 1.213 122.360 121.223 -0.127 0.000 2.042 303 L HA -0.188 4.137 4.340 -0.025 0.000 0.210 303 L C 2.632 179.365 176.870 -0.228 0.000 1.076 303 L CA 1.486 56.233 54.840 -0.155 0.000 0.749 303 L CB -0.661 41.307 42.059 -0.150 0.000 0.893 303 L HN 0.199 nan 8.230 nan 0.000 0.432 304 Q N -1.356 118.210 119.800 -0.391 0.000 2.170 304 Q HA -0.191 4.134 4.340 -0.025 0.000 0.203 304 Q C 2.070 177.803 176.000 -0.446 0.000 0.976 304 Q CA 1.919 57.285 55.803 -0.728 0.000 0.858 304 Q CB -0.269 27.751 28.738 -1.197 0.000 0.907 304 Q HN 0.511 nan 8.270 nan 0.000 0.433 305 T N 0.205 114.612 114.554 -0.245 0.000 2.904 305 T HA -0.070 4.265 4.350 -0.025 0.000 0.267 305 T C 1.984 176.613 174.700 -0.119 0.000 1.059 305 T CA 0.896 62.922 62.100 -0.124 0.000 1.137 305 T CB -0.035 68.802 68.868 -0.051 0.000 0.879 305 T HN 0.048 nan 8.240 nan 0.000 0.467 306 V N 1.516 121.359 119.914 -0.118 0.000 2.295 306 V HA -0.221 3.884 4.120 -0.025 0.000 0.246 306 V C 2.614 178.653 176.094 -0.092 0.000 1.049 306 V CA 1.935 64.181 62.300 -0.091 0.000 1.024 306 V CB -0.700 31.062 31.823 -0.101 0.000 0.648 306 V HN 0.458 nan 8.190 nan 0.000 0.447 307 Q N 0.555 120.275 119.800 -0.134 0.000 2.061 307 Q HA -0.304 4.021 4.340 -0.025 0.000 0.204 307 Q C 2.387 178.143 176.000 -0.406 0.000 0.984 307 Q CA 2.436 58.081 55.803 -0.262 0.000 0.846 307 Q CB -0.347 28.282 28.738 -0.181 0.000 0.902 307 Q HN 0.833 nan 8.270 nan 0.000 0.421 308 Q N -0.683 118.915 119.800 -0.337 0.000 2.248 308 Q HA -0.191 4.134 4.340 -0.025 0.000 0.208 308 Q C 0.781 176.395 176.000 -0.644 0.000 0.984 308 Q CA 1.611 56.923 55.803 -0.818 0.000 0.875 308 Q CB -0.199 28.229 28.738 -0.516 0.000 0.910 308 Q HN 0.396 nan 8.270 nan 0.000 0.433 309 N N 0.026 118.543 118.700 -0.305 0.000 2.230 309 N HA 0.054 4.779 4.740 -0.025 0.000 0.202 309 N C 0.636 176.108 175.510 -0.064 0.000 1.119 309 N CA 0.760 53.715 53.050 -0.158 0.000 0.851 309 N CB 1.058 39.490 38.487 -0.092 0.000 0.990 309 N HN 0.459 nan 8.380 nan 0.000 0.497 310 S N 0.238 115.891 115.700 -0.077 0.000 3.214 310 S HA 0.103 4.558 4.470 -0.025 0.000 0.182 310 S C 1.243 175.915 174.600 0.120 0.000 0.728 310 S CA -0.245 58.002 58.200 0.078 0.000 0.814 310 S CB -0.635 62.709 63.200 0.240 0.000 0.859 310 S HN 0.190 nan 8.310 nan 0.000 0.647 311 F N -1.420 118.604 119.950 0.124 0.000 2.724 311 F HA 0.524 5.035 4.527 -0.026 0.000 0.306 311 F C 1.267 177.210 175.800 0.240 0.000 1.100 311 F CA -0.554 57.534 58.000 0.147 0.000 1.255 311 F CB -0.124 38.950 39.000 0.122 0.000 1.072 311 F HN 0.330 nan 8.300 nan 0.000 0.589 312 Y N 1.345 121.261 120.300 -0.640 0.000 2.750 312 Y HA -0.345 4.189 4.550 -0.028 0.000 0.477 312 Y C 0.282 176.013 175.900 -0.282 0.000 1.138 312 Y CA 1.343 59.216 58.100 -0.379 0.000 2.829 312 Y CB -1.743 36.625 38.460 -0.154 0.000 1.073 312 Y HN 0.235 nan 8.280 nan 0.000 0.590 313 T N 1.110 115.854 114.554 0.316 0.000 2.907 313 T HA 0.649 4.985 4.350 -0.025 0.000 0.292 313 T C -0.453 174.582 174.700 0.557 0.000 1.043 313 T CA -0.029 62.279 62.100 0.346 0.000 1.003 313 T CB 2.367 71.317 68.868 0.138 0.000 1.084 313 T HN 0.461 nan 8.240 nan 0.000 0.483 314 C N 1.698 121.272 119.300 0.456 0.000 2.335 314 C HA 0.829 5.274 4.460 -0.025 0.000 0.363 314 C C 1.257 176.355 174.990 0.180 0.000 1.198 314 C CA -1.024 58.183 59.018 0.315 0.000 2.279 314 C CB 0.313 28.229 27.740 0.292 0.000 2.334 314 C HN 1.074 nan 8.230 nan 0.000 0.559 315 A N 1.752 124.625 122.820 0.088 0.000 2.567 315 A HA 0.285 4.590 4.320 -0.025 0.000 0.240 315 A C 1.260 178.820 177.584 -0.040 0.000 1.053 315 A CA 0.452 52.491 52.037 0.003 0.000 0.755 315 A CB -0.052 18.907 19.000 -0.068 0.000 0.978 315 A HN 0.992 nan 8.150 nan 0.000 0.507 316 T N 4.016 118.522 114.554 -0.081 0.000 2.737 316 T HA -0.059 4.276 4.350 -0.025 0.000 0.265 316 T C -0.686 173.857 174.700 -0.261 0.000 1.038 316 T CA 2.002 63.993 62.100 -0.183 0.000 1.144 316 T CB -1.009 67.772 68.868 -0.145 0.000 0.866 316 T HN 0.624 nan 8.240 nan 0.000 0.434 317 P HA 0.033 nan 4.420 nan 0.000 0.217 317 P C 1.520 178.641 177.300 -0.299 0.000 1.150 317 P CA 0.870 63.825 63.100 -0.243 0.000 0.832 317 P CB -0.271 31.279 31.700 -0.251 0.000 0.787 318 L N -0.843 120.168 121.223 -0.353 0.000 2.027 318 L HA -0.168 4.157 4.340 -0.025 0.000 0.206 318 L C 2.714 179.527 176.870 -0.095 0.000 1.074 318 L CA 1.540 56.103 54.840 -0.462 0.000 0.745 318 L CB -1.238 40.563 42.059 -0.429 0.000 0.898 318 L HN -0.030 nan 8.230 nan 0.000 0.433 319 Q N 0.029 119.811 119.800 -0.030 0.000 2.124 319 Q HA -0.191 4.134 4.340 -0.025 0.000 0.202 319 Q C 2.452 178.519 176.000 0.111 0.000 0.977 319 Q CA 1.546 57.411 55.803 0.103 0.000 0.850 319 Q CB -0.277 28.522 28.738 0.102 0.000 0.901 319 Q HN 0.571 nan 8.270 nan 0.000 0.429 320 A N 1.224 123.980 122.820 -0.106 0.000 1.877 320 A HA -0.122 4.184 4.320 -0.025 0.000 0.216 320 A C 2.323 179.994 177.584 0.145 0.000 1.186 320 A CA 1.622 53.681 52.037 0.037 0.000 0.620 320 A CB -0.820 18.130 19.000 -0.085 0.000 0.822 320 A HN 0.396 nan 8.150 nan 0.000 0.443 321 A N -0.699 122.173 122.820 0.086 0.000 1.933 321 A HA -0.017 4.288 4.320 -0.025 0.000 0.218 321 A C 2.134 179.860 177.584 0.237 0.000 1.175 321 A CA 1.717 53.851 52.037 0.161 0.000 0.628 321 A CB -0.593 18.491 19.000 0.140 0.000 0.814 321 A HN 0.645 nan 8.150 nan 0.000 0.444 322 L N -0.187 121.234 121.223 0.330 0.000 2.046 322 L HA -0.054 4.272 4.340 -0.025 0.000 0.208 322 L C 2.703 179.713 176.870 0.234 0.000 1.077 322 L CA 2.114 57.110 54.840 0.261 0.000 0.747 322 L CB -0.873 41.457 42.059 0.450 0.000 0.896 322 L HN 0.354 nan 8.230 nan 0.000 0.432 323 A N -0.642 122.359 122.820 0.303 0.000 1.892 323 A HA -0.242 4.064 4.320 -0.025 0.000 0.218 323 A C 2.148 179.876 177.584 0.241 0.000 1.188 323 A CA 1.987 54.181 52.037 0.262 0.000 0.631 323 A CB -0.693 18.504 19.000 0.328 0.000 0.822 323 A HN 0.543 nan 8.150 nan 0.000 0.447 324 E N -0.149 120.215 120.200 0.275 0.000 2.077 324 E HA -0.135 4.200 4.350 -0.025 0.000 0.193 324 E C 2.393 179.086 176.600 0.154 0.000 0.989 324 E CA 1.280 57.844 56.400 0.274 0.000 0.800 324 E CB -0.855 28.962 29.700 0.195 0.000 0.746 324 E HN 0.583 nan 8.360 nan 0.000 0.452 325 A N 0.920 123.740 122.820 -0.001 0.000 1.873 325 A HA -0.206 4.100 4.320 -0.025 0.000 0.218 325 A C 2.139 179.673 177.584 -0.083 0.000 1.193 325 A CA 1.527 53.434 52.037 -0.216 0.000 0.629 325 A CB -0.980 17.488 19.000 -0.888 0.000 0.826 325 A HN 0.166 nan 8.150 nan 0.000 0.447 326 F N -1.519 118.464 119.950 0.055 0.000 2.065 326 F HA -0.236 4.283 4.527 -0.013 0.000 0.298 326 F C 2.247 178.059 175.800 0.020 0.000 1.112 326 F CA 1.521 59.607 58.000 0.143 0.000 1.212 326 F CB -1.017 37.933 39.000 -0.083 0.000 0.975 326 F HN 0.417 nan 8.300 nan 0.000 0.476 327 W N 0.010 121.469 121.300 0.265 0.000 2.363 327 W HA -0.159 4.479 4.660 -0.036 0.000 0.296 327 W C 2.445 178.983 176.519 0.031 0.000 1.212 327 W CA 0.689 58.111 57.345 0.129 0.000 1.260 327 W CB -0.672 28.837 29.460 0.081 0.000 1.131 327 W HN -0.030 nan 8.180 nan 0.000 0.530 328 I N 0.001 120.658 120.570 0.145 0.000 2.226 328 I HA -0.300 3.855 4.170 -0.025 0.000 0.245 328 I C 1.909 177.944 176.117 -0.138 0.000 1.100 328 I CA 1.416 62.656 61.300 -0.099 0.000 1.374 328 I CB -0.416 37.332 38.000 -0.419 0.000 1.057 328 I HN -0.042 nan 8.210 nan 0.000 0.413 329 D N 0.410 120.745 120.400 -0.109 0.000 2.216 329 D HA 0.015 4.640 4.640 -0.025 0.000 0.208 329 D C 2.306 178.528 176.300 -0.131 0.000 0.960 329 D CA 0.847 54.682 54.000 -0.274 0.000 0.861 329 D CB 0.060 40.467 40.800 -0.655 0.000 0.985 329 D HN 0.272 nan 8.370 nan 0.000 0.493 330 I N 1.274 121.930 120.570 0.143 0.000 2.236 330 I HA -0.295 3.860 4.170 -0.025 0.000 0.249 330 I C 1.941 178.163 176.117 0.175 0.000 1.102 330 I CA 1.412 62.860 61.300 0.246 0.000 1.365 330 I CB -0.101 38.058 38.000 0.265 0.000 1.051 330 I HN -0.107 nan 8.210 nan 0.000 0.420 331 K N 0.627 121.113 120.400 0.143 0.000 2.486 331 K HA -0.016 4.289 4.320 -0.025 0.000 0.194 331 K C 0.846 177.473 176.600 0.044 0.000 1.033 331 K CA 0.406 56.755 56.287 0.104 0.000 1.004 331 K CB 0.079 32.635 32.500 0.093 0.000 0.798 331 K HN 0.458 nan 8.250 nan 0.000 0.495 332 R N -0.556 119.949 120.500 0.009 0.000 2.690 332 R HA 0.289 4.614 4.340 -0.025 0.000 0.419 332 R C 0.889 177.187 176.300 -0.004 0.000 1.090 332 R CA -0.155 55.939 56.100 -0.010 0.000 1.064 332 R CB -0.225 30.046 30.300 -0.047 0.000 1.391 332 R HN -0.008 nan 8.270 nan 0.000 0.586 333 M N 0.724 120.351 119.600 0.045 0.000 2.279 333 M HA -0.098 4.367 4.480 -0.025 0.000 0.264 333 M C 0.375 176.726 176.300 0.084 0.000 1.062 333 M CA 1.563 56.917 55.300 0.090 0.000 1.099 333 M CB 0.060 32.767 32.600 0.177 0.000 1.394 333 M HN 0.194 nan 8.290 nan 0.000 0.426 334 D N 0.168 120.607 120.400 0.065 0.000 2.339 334 D HA 0.057 4.682 4.640 -0.025 0.000 0.217 334 D C -0.353 175.972 176.300 0.043 0.000 1.050 334 D CA 0.446 54.483 54.000 0.061 0.000 0.856 334 D CB 0.102 40.937 40.800 0.058 0.000 0.922 334 D HN 0.284 nan 8.370 nan 0.000 0.518 335 D N -0.002 120.414 120.400 0.027 0.000 2.193 335 D HA 0.159 4.784 4.640 -0.025 0.000 0.249 335 D C -1.512 174.797 176.300 0.015 0.000 1.034 335 D CA -1.860 52.150 54.000 0.017 0.000 0.902 335 D CB 1.669 42.472 40.800 0.005 0.000 1.182 335 D HN -0.187 nan 8.370 nan 0.000 0.436 336 P HA -0.122 nan 4.420 nan 0.000 0.218 336 P C 0.761 178.072 177.300 0.018 0.000 1.148 336 P CA 1.104 64.219 63.100 0.024 0.000 0.822 336 P CB 0.386 32.102 31.700 0.027 0.000 0.784 337 E N -1.582 118.626 120.200 0.013 0.000 2.482 337 E HA -0.041 4.294 4.350 -0.025 0.000 0.196 337 E C 0.539 177.146 176.600 0.011 0.000 1.047 337 E CA -0.081 56.333 56.400 0.023 0.000 0.869 337 E CB -0.439 29.274 29.700 0.021 0.000 0.836 337 E HN 0.202 nan 8.360 nan 0.000 0.520 338 C N 1.325 120.600 119.300 -0.042 0.000 2.596 338 C HA -0.092 4.353 4.460 -0.025 0.000 0.414 338 C C 1.747 176.665 174.990 -0.120 0.000 1.396 338 C CA -0.304 58.629 59.018 -0.142 0.000 1.698 338 C CB -0.731 26.903 27.740 -0.178 0.000 2.572 338 C HN 0.403 nan 8.230 nan 0.000 0.604 339 Y N 4.476 124.577 120.300 -0.332 0.000 2.333 339 Y HA -0.034 4.500 4.550 -0.026 0.000 0.290 339 Y C 1.627 177.378 175.900 -0.247 0.000 1.144 339 Y CA 1.905 59.861 58.100 -0.240 0.000 1.228 339 Y CB -0.393 37.967 38.460 -0.167 0.000 0.985 339 Y HN 0.814 nan 8.280 nan 0.000 0.542 340 F N -0.461 119.255 119.950 -0.391 0.000 2.269 340 F HA -0.168 4.345 4.527 -0.024 0.000 0.301 340 F C 1.856 177.479 175.800 -0.296 0.000 1.082 340 F CA 1.341 58.931 58.000 -0.684 0.000 1.360 340 F CB -1.240 37.020 39.000 -1.233 0.000 1.041 340 F HN 0.172 nan 8.300 nan 0.000 0.512 341 N N -0.617 118.063 118.700 -0.033 0.000 2.368 341 N HA -0.087 4.639 4.740 -0.025 0.000 0.178 341 N C 1.956 177.453 175.510 -0.021 0.000 1.021 341 N CA 0.884 53.946 53.050 0.019 0.000 0.875 341 N CB -0.176 38.335 38.487 0.039 0.000 1.020 341 N HN 0.151 nan 8.380 nan 0.000 0.433 342 S N 1.043 116.702 115.700 -0.068 0.000 2.406 342 S HA -0.033 4.422 4.470 -0.025 0.000 0.228 342 S C 1.919 176.450 174.600 -0.114 0.000 1.020 342 S CA 0.365 58.537 58.200 -0.046 0.000 0.965 342 S CB -0.346 62.864 63.200 0.016 0.000 0.798 342 S HN 0.176 nan 8.310 nan 0.000 0.488 343 L N 3.453 124.473 121.223 -0.337 0.000 2.005 343 L HA 0.110 4.435 4.340 -0.025 0.000 0.207 343 L C -0.921 175.920 176.870 -0.049 0.000 1.072 343 L CA 1.719 56.363 54.840 -0.327 0.000 0.744 343 L CB -1.275 40.359 42.059 -0.709 0.000 0.895 343 L HN 0.163 nan 8.230 nan 0.000 0.433 344 P HA -0.233 nan 4.420 nan 0.000 0.218 344 P C 1.374 178.830 177.300 0.260 0.000 1.149 344 P CA 1.634 64.843 63.100 0.182 0.000 0.817 344 P CB -0.147 31.610 31.700 0.095 0.000 0.785 345 K N 1.033 121.516 120.400 0.137 0.000 2.026 345 K HA -0.196 4.109 4.320 -0.025 0.000 0.208 345 K C 2.296 178.950 176.600 0.091 0.000 1.048 345 K CA 1.547 57.903 56.287 0.115 0.000 0.929 345 K CB -0.393 32.151 32.500 0.073 0.000 0.713 345 K HN 0.008 nan 8.250 nan 0.000 0.439 346 E N 0.732 120.976 120.200 0.074 0.000 2.077 346 E HA -0.182 4.153 4.350 -0.025 0.000 0.193 346 E C 2.075 178.730 176.600 0.091 0.000 0.989 346 E CA 1.049 57.488 56.400 0.065 0.000 0.800 346 E CB -0.059 29.672 29.700 0.052 0.000 0.746 346 E HN 0.416 nan 8.360 nan 0.000 0.452 347 L N 0.623 121.945 121.223 0.165 0.000 2.156 347 L HA -0.087 4.238 4.340 -0.025 0.000 0.208 347 L C 2.643 179.558 176.870 0.074 0.000 1.095 347 L CA 1.027 56.021 54.840 0.257 0.000 0.770 347 L CB -0.354 41.971 42.059 0.443 0.000 0.914 347 L HN 0.256 nan 8.230 nan 0.000 0.439 348 E N 0.219 120.408 120.200 -0.018 0.000 2.110 348 E HA -0.192 4.143 4.350 -0.025 0.000 0.193 348 E C 2.173 178.614 176.600 -0.264 0.000 0.988 348 E CA 1.239 57.421 56.400 -0.363 0.000 0.804 348 E CB 0.195 29.812 29.700 -0.139 0.000 0.745 348 E HN 0.277 nan 8.360 nan 0.000 0.458 349 V N 1.255 121.097 119.914 -0.119 0.000 2.307 349 V HA -0.256 3.849 4.120 -0.025 0.000 0.245 349 V C 2.166 178.176 176.094 -0.141 0.000 1.045 349 V CA 2.033 64.271 62.300 -0.103 0.000 1.024 349 V CB -0.408 31.392 31.823 -0.038 0.000 0.651 349 V HN 0.227 nan 8.190 nan 0.000 0.449 350 K N -0.022 120.310 120.400 -0.113 0.000 2.057 350 K HA -0.181 4.124 4.320 -0.025 0.000 0.206 350 K C 2.369 178.722 176.600 -0.412 0.000 1.050 350 K CA 1.370 57.584 56.287 -0.120 0.000 0.935 350 K CB -0.283 32.266 32.500 0.081 0.000 0.715 350 K HN 0.322 nan 8.250 nan 0.000 0.439 351 R N 1.561 121.607 120.500 -0.757 0.000 2.097 351 R HA -0.206 4.120 4.340 -0.025 0.000 0.236 351 R C 1.444 177.354 176.300 -0.650 0.000 1.135 351 R CA 2.279 57.623 56.100 -1.261 0.000 0.934 351 R CB -0.248 29.394 30.300 -1.096 0.000 0.846 351 R HN 0.109 nan 8.270 nan 0.000 0.431 352 D N -0.170 119.974 120.400 -0.426 0.000 2.123 352 D HA -0.202 4.423 4.640 -0.025 0.000 0.196 352 D C 1.957 178.120 176.300 -0.228 0.000 0.992 352 D CA 1.231 55.068 54.000 -0.272 0.000 0.833 352 D CB -0.329 40.354 40.800 -0.194 0.000 0.954 352 D HN 0.304 nan 8.370 nan 0.000 0.455 353 R N -0.051 120.324 120.500 -0.209 0.000 2.083 353 R HA -0.128 4.197 4.340 -0.025 0.000 0.237 353 R C 2.170 178.360 176.300 -0.184 0.000 1.137 353 R CA 1.169 57.176 56.100 -0.154 0.000 0.951 353 R CB -0.115 30.124 30.300 -0.102 0.000 0.851 353 R HN 0.090 nan 8.270 nan 0.000 0.434 354 M N 0.512 119.970 119.600 -0.236 0.000 2.080 354 M HA -0.158 4.307 4.480 -0.025 0.000 0.260 354 M C 2.464 178.586 176.300 -0.297 0.000 1.068 354 M CA 1.525 56.676 55.300 -0.249 0.000 1.109 354 M CB -0.902 31.544 32.600 -0.257 0.000 1.342 354 M HN 0.282 nan 8.290 nan 0.000 0.405 355 V N 0.093 119.838 119.914 -0.281 0.000 2.469 355 V HA -0.274 3.831 4.120 -0.025 0.000 0.251 355 V C 2.252 178.207 176.094 -0.231 0.000 1.064 355 V CA 1.801 63.961 62.300 -0.233 0.000 1.066 355 V CB -0.488 31.231 31.823 -0.174 0.000 0.667 355 V HN 0.454 nan 8.190 nan 0.000 0.461 356 R N -0.451 119.919 120.500 -0.217 0.000 2.073 356 R HA 0.086 4.411 4.340 -0.025 0.000 0.229 356 R C 2.388 178.529 176.300 -0.266 0.000 1.120 356 R CA 1.702 57.687 56.100 -0.192 0.000 0.967 356 R CB -0.426 29.790 30.300 -0.140 0.000 0.862 356 R HN 0.483 nan 8.270 nan 0.000 0.436 357 L N 0.671 121.688 121.223 -0.345 0.000 2.046 357 L HA -0.197 4.128 4.340 -0.025 0.000 0.208 357 L C 2.348 178.635 176.870 -0.972 0.000 1.077 357 L CA 1.280 55.782 54.840 -0.564 0.000 0.747 357 L CB -0.436 41.317 42.059 -0.511 0.000 0.896 357 L HN 0.202 nan 8.230 nan 0.000 0.432 358 L N -0.568 120.157 121.223 -0.830 0.000 2.093 358 L HA -0.177 4.148 4.340 -0.025 0.000 0.208 358 L C 2.399 178.987 176.870 -0.470 0.000 1.085 358 L CA 0.825 55.205 54.840 -0.767 0.000 0.755 358 L CB -0.613 41.127 42.059 -0.532 0.000 0.904 358 L HN 0.321 nan 8.230 nan 0.000 0.435 359 N N 0.023 118.524 118.700 -0.331 0.000 2.104 359 N HA -0.181 4.544 4.740 -0.025 0.000 0.190 359 N C 2.089 177.477 175.510 -0.203 0.000 1.024 359 N CA 1.822 54.748 53.050 -0.207 0.000 0.853 359 N CB -0.357 38.042 38.487 -0.147 0.000 1.008 359 N HN 0.369 nan 8.380 nan 0.000 0.424 360 S N -0.493 115.063 115.700 -0.240 0.000 2.465 360 S HA -0.054 4.401 4.470 -0.025 0.000 0.241 360 S C 1.698 176.202 174.600 -0.159 0.000 1.000 360 S CA 0.789 58.890 58.200 -0.165 0.000 0.964 360 S CB -0.221 62.897 63.200 -0.137 0.000 0.763 360 S HN 0.071 nan 8.310 nan 0.000 0.512 361 V N 0.517 120.269 119.914 -0.270 0.000 3.528 361 V HA 0.472 4.577 4.120 -0.025 0.000 0.294 361 V C 1.559 177.497 176.094 -0.259 0.000 1.404 361 V CA 0.416 62.509 62.300 -0.346 0.000 1.065 361 V CB -0.286 31.146 31.823 -0.652 0.000 0.904 361 V HN 0.730 nan 8.190 nan 0.000 0.435 362 G N 0.923 109.618 108.800 -0.175 0.000 2.141 362 G HA2 -0.217 3.728 3.960 -0.025 0.000 0.242 362 G HA3 -0.217 3.728 3.960 -0.025 0.000 0.242 362 G C 0.045 174.902 174.900 -0.073 0.000 0.982 362 G CA 0.040 45.084 45.100 -0.094 0.000 0.662 362 G HN 0.442 nan 8.290 nan 0.000 0.527 363 L N 0.355 121.506 121.223 -0.120 0.000 2.319 363 L HA 0.391 4.716 4.340 -0.025 0.000 0.280 363 L C 0.950 177.812 176.870 -0.014 0.000 1.099 363 L CA -0.440 54.366 54.840 -0.056 0.000 0.828 363 L CB 1.154 43.165 42.059 -0.081 0.000 1.150 363 L HN 0.081 nan 8.230 nan 0.000 0.442 364 K N 5.875 126.326 120.400 0.084 0.000 2.220 364 K HA 0.222 4.528 4.320 -0.025 0.000 0.283 364 K C -2.264 174.460 176.600 0.206 0.000 1.098 364 K CA -1.607 54.794 56.287 0.190 0.000 0.928 364 K CB 0.528 33.210 32.500 0.303 0.000 1.214 364 K HN 0.215 nan 8.250 nan 0.000 0.442 365 P HA 0.064 nan 4.420 nan 0.000 0.275 365 P C -0.540 176.734 177.300 -0.043 0.000 1.227 365 P CA -0.024 63.081 63.100 0.009 0.000 0.781 365 P CB 0.717 32.383 31.700 -0.057 0.000 0.906 366 I N 2.648 123.069 120.570 -0.248 0.000 2.291 366 I HA 0.108 4.264 4.170 -0.025 0.000 0.290 366 I C 0.287 176.305 176.117 -0.164 0.000 1.050 366 I CA -0.996 60.050 61.300 -0.423 0.000 1.245 366 I CB 0.748 38.328 38.000 -0.701 0.000 1.405 366 I HN 0.008 nan 8.210 nan 0.000 0.478 367 V N 9.344 129.213 119.914 -0.074 0.000 2.458 367 V HA 0.041 4.146 4.120 -0.025 0.000 0.287 367 V C -1.714 174.382 176.094 0.002 0.000 1.009 367 V CA -1.028 61.254 62.300 -0.030 0.000 1.091 367 V CB -0.516 31.304 31.823 -0.005 0.000 0.960 367 V HN 0.586 nan 8.190 nan 0.000 0.476 368 P HA 0.207 nan 4.420 nan 0.000 0.279 368 P C -0.007 177.380 177.300 0.145 0.000 1.239 368 P CA -0.347 62.810 63.100 0.095 0.000 0.789 368 P CB 1.216 33.039 31.700 0.205 0.000 0.933 369 D N 1.177 121.577 120.400 -0.001 0.000 2.269 369 D HA 0.057 4.682 4.640 -0.025 0.000 0.208 369 D C 1.211 177.526 176.300 0.025 0.000 0.963 369 D CA 1.245 55.138 54.000 -0.177 0.000 0.864 369 D CB 0.136 40.512 40.800 -0.707 0.000 0.936 369 D HN 0.595 nan 8.370 nan 0.000 0.505 370 G N -1.645 107.180 108.800 0.042 0.000 2.623 370 G HA2 0.495 4.440 3.960 -0.025 0.000 0.290 370 G HA3 0.495 4.440 3.960 -0.025 0.000 0.290 370 G C -0.131 174.714 174.900 -0.092 0.000 1.437 370 G CA 0.004 44.994 45.100 -0.184 0.000 0.798 370 G HN 0.322 nan 8.290 nan 0.000 0.488 371 G N -1.117 107.513 108.800 -0.283 0.000 2.725 371 G HA2 0.163 4.108 3.960 -0.025 0.000 0.220 371 G HA3 0.163 4.108 3.960 -0.025 0.000 0.220 371 G C 0.137 174.802 174.900 -0.391 0.000 1.357 371 G CA 0.614 45.378 45.100 -0.560 0.000 0.866 371 G HN 2.257 nan 8.290 nan 0.000 0.548 372 Y N -2.667 117.124 120.300 -0.850 0.000 2.698 372 Y HA 0.741 5.276 4.550 -0.024 0.000 0.261 372 Y C -0.031 174.865 175.900 -1.672 0.000 1.104 372 Y CA -1.358 55.906 58.100 -1.394 0.000 1.145 372 Y CB 0.109 37.925 38.460 -1.073 0.000 1.191 372 Y HN 0.329 nan 8.280 nan 0.000 0.564 373 F N 2.191 121.939 119.950 -0.338 0.000 2.522 373 F HA 0.644 5.156 4.527 -0.025 0.000 0.324 373 F C -0.524 175.413 175.800 0.228 0.000 1.077 373 F CA -2.047 55.927 58.000 -0.044 0.000 0.944 373 F CB 2.137 41.089 39.000 -0.081 0.000 1.175 373 F HN 0.022 nan 8.300 nan 0.000 0.468 374 I N 3.198 124.089 120.570 0.535 0.000 2.533 374 I HA 0.543 4.698 4.170 -0.025 0.000 0.290 374 I C -1.340 174.968 176.117 0.318 0.000 1.056 374 I CA -0.539 60.988 61.300 0.380 0.000 1.057 374 I CB 1.305 39.504 38.000 0.332 0.000 1.240 374 I HN 0.471 nan 8.210 nan 0.000 0.423 375 I N 7.084 127.738 120.570 0.140 0.000 2.396 375 I HA 0.585 4.740 4.170 -0.025 0.000 0.292 375 I C 0.131 176.312 176.117 0.107 0.000 0.999 375 I CA -0.309 61.055 61.300 0.108 0.000 1.310 375 I CB 1.653 39.620 38.000 -0.055 0.000 1.404 375 I HN 0.663 nan 8.210 nan 0.000 0.496 376 A N 4.981 127.935 122.820 0.223 0.000 2.355 376 A HA 0.354 4.660 4.320 -0.025 0.000 0.317 376 A C -0.795 176.895 177.584 0.176 0.000 1.094 376 A CA -0.642 51.502 52.037 0.178 0.000 0.764 376 A CB 1.108 20.232 19.000 0.206 0.000 1.230 376 A HN 0.687 nan 8.150 nan 0.000 0.448 377 D N 2.248 122.770 120.400 0.204 0.000 2.371 377 D HA 0.167 4.792 4.640 -0.025 0.000 0.256 377 D C 1.117 177.462 176.300 0.076 0.000 1.193 377 D CA 0.302 54.420 54.000 0.197 0.000 0.881 377 D CB 1.408 42.410 40.800 0.336 0.000 1.143 377 D HN 0.495 nan 8.370 nan 0.000 0.473 378 V N 1.765 121.651 119.914 -0.047 0.000 3.647 378 V HA 0.012 4.117 4.120 -0.025 0.000 0.279 378 V C 1.708 177.719 176.094 -0.139 0.000 1.314 378 V CA 0.861 63.028 62.300 -0.222 0.000 1.125 378 V CB -0.293 31.015 31.823 -0.859 0.000 0.907 378 V HN 0.495 nan 8.190 nan 0.000 0.434 379 S N 1.456 117.108 115.700 -0.079 0.000 2.453 379 S HA -0.140 4.315 4.470 -0.025 0.000 0.231 379 S C 1.963 176.539 174.600 -0.040 0.000 1.005 379 S CA 1.302 59.440 58.200 -0.103 0.000 0.949 379 S CB -0.633 62.468 63.200 -0.165 0.000 0.774 379 S HN 1.002 nan 8.310 nan 0.000 0.510 380 S N 0.773 116.465 115.700 -0.013 0.000 2.603 380 S HA 0.155 4.611 4.470 -0.025 0.000 0.229 380 S C 1.404 176.030 174.600 0.044 0.000 0.972 380 S CA 0.068 58.272 58.200 0.005 0.000 0.935 380 S CB -0.527 62.674 63.200 0.001 0.000 0.769 380 S HN 0.361 nan 8.310 nan 0.000 0.536 381 L N 1.656 122.929 121.223 0.082 0.000 2.418 381 L HA 0.353 4.678 4.340 -0.025 0.000 0.218 381 L C 1.785 178.736 176.870 0.135 0.000 1.125 381 L CA 0.832 55.769 54.840 0.161 0.000 0.835 381 L CB -1.138 41.111 42.059 0.317 0.000 0.953 381 L HN 0.513 nan 8.230 nan 0.000 0.454 382 G N 0.662 109.521 108.800 0.098 0.000 2.385 382 G HA2 -0.221 3.724 3.960 -0.025 0.000 0.284 382 G HA3 -0.221 3.724 3.960 -0.025 0.000 0.284 382 G C 0.657 175.595 174.900 0.063 0.000 0.899 382 G CA 0.343 45.492 45.100 0.082 0.000 1.204 382 G HN 0.632 nan 8.290 nan 0.000 0.486 383 A N 0.158 123.011 122.820 0.055 0.000 2.366 383 A HA 0.452 4.757 4.320 -0.025 0.000 0.250 383 A C 0.929 178.325 177.584 -0.314 0.000 1.099 383 A CA 0.178 52.044 52.037 -0.286 0.000 0.794 383 A CB 0.382 18.897 19.000 -0.808 0.000 1.056 383 A HN 0.458 nan 8.150 nan 0.000 0.499 384 D N 1.209 121.299 120.400 -0.517 0.000 3.085 384 D HA 0.163 4.788 4.640 -0.025 0.000 0.243 384 D C 0.210 176.382 176.300 -0.214 0.000 1.232 384 D CA 0.267 54.123 54.000 -0.241 0.000 0.913 384 D CB 0.009 40.774 40.800 -0.059 0.000 1.108 384 D HN 0.421 nan 8.370 nan 0.000 0.468 385 L N 0.207 121.305 121.223 -0.208 0.000 2.685 385 L HA 0.033 4.358 4.340 -0.025 0.000 0.233 385 L C 1.903 178.757 176.870 -0.027 0.000 1.173 385 L CA -0.097 54.666 54.840 -0.129 0.000 0.961 385 L CB -0.164 41.767 42.059 -0.212 0.000 1.217 385 L HN -0.049 nan 8.230 nan 0.000 0.478 386 S N 0.564 116.260 115.700 -0.008 0.000 2.374 386 S HA -0.161 4.294 4.470 -0.025 0.000 0.227 386 S C 0.737 175.352 174.600 0.024 0.000 1.037 386 S CA 1.473 59.683 58.200 0.015 0.000 1.024 386 S CB -0.192 63.018 63.200 0.016 0.000 0.861 386 S HN 0.546 nan 8.310 nan 0.000 0.456 387 D N 0.326 120.745 120.400 0.033 0.000 3.068 387 D HA 0.343 4.968 4.640 -0.025 0.000 0.327 387 D C -0.724 175.601 176.300 0.042 0.000 1.361 387 D CA 0.061 54.083 54.000 0.036 0.000 0.877 387 D CB -0.022 40.800 40.800 0.037 0.000 1.088 387 D HN 0.317 nan 8.370 nan 0.000 0.489 388 M N 0.613 120.235 119.600 0.035 0.000 2.036 388 M HA 0.238 4.703 4.480 -0.025 0.000 0.337 388 M C 0.253 176.566 176.300 0.021 0.000 1.012 388 M CA -0.277 55.043 55.300 0.033 0.000 0.962 388 M CB 0.864 33.485 32.600 0.035 0.000 1.423 388 M HN -0.203 nan 8.290 nan 0.000 0.405 389 N N 0.154 118.864 118.700 0.017 0.000 2.235 389 N HA 0.045 4.771 4.740 -0.025 0.000 0.209 389 N C 0.206 175.719 175.510 0.004 0.000 1.122 389 N CA -0.342 52.715 53.050 0.012 0.000 0.845 389 N CB 0.594 39.088 38.487 0.012 0.000 1.004 389 N HN 0.605 nan 8.380 nan 0.000 0.499 390 S N 0.155 115.856 115.700 0.001 0.000 2.626 390 S HA 0.027 4.482 4.470 -0.025 0.000 0.257 390 S C 0.702 175.291 174.600 -0.019 0.000 1.288 390 S CA -0.406 57.786 58.200 -0.013 0.000 0.980 390 S CB 0.697 63.886 63.200 -0.018 0.000 0.975 390 S HN 0.256 nan 8.310 nan 0.000 0.577 391 D N -1.212 119.165 120.400 -0.038 0.000 2.388 391 D HA 0.113 4.738 4.640 -0.025 0.000 0.221 391 D C -0.059 176.193 176.300 -0.080 0.000 1.133 391 D CA -0.316 53.658 54.000 -0.044 0.000 0.831 391 D CB -0.458 40.315 40.800 -0.045 0.000 0.962 391 D HN 0.612 nan 8.370 nan 0.000 0.502 392 E N 1.495 121.636 120.200 -0.099 0.000 2.418 392 E HA 0.153 4.488 4.350 -0.025 0.000 0.261 392 E C -2.120 174.421 176.600 -0.099 0.000 1.070 392 E CA -1.290 55.000 56.400 -0.185 0.000 0.931 392 E CB 0.110 29.703 29.700 -0.178 0.000 0.954 392 E HN 0.165 nan 8.360 nan 0.000 0.439 393 P HA -0.071 nan 4.420 nan 0.000 0.272 393 P C 0.189 177.590 177.300 0.168 0.000 1.223 393 P CA 0.069 63.198 63.100 0.048 0.000 0.784 393 P CB 0.312 32.056 31.700 0.074 0.000 0.923 394 Y N 2.728 123.084 120.300 0.094 0.000 2.102 394 Y HA -0.373 4.162 4.550 -0.025 0.000 0.280 394 Y C 1.952 177.974 175.900 0.203 0.000 1.178 394 Y CA 2.700 60.874 58.100 0.123 0.000 1.146 394 Y CB -0.528 37.979 38.460 0.079 0.000 0.968 394 Y HN 0.447 nan 8.280 nan 0.000 0.504 395 D N -1.418 119.201 120.400 0.365 0.000 2.149 395 D HA -0.290 4.335 4.640 -0.025 0.000 0.198 395 D C 1.923 178.373 176.300 0.249 0.000 0.990 395 D CA 1.886 56.063 54.000 0.296 0.000 0.839 395 D CB -1.392 39.549 40.800 0.235 0.000 0.948 395 D HN 0.570 nan 8.370 nan 0.000 0.460 396 Y N 1.088 121.429 120.300 0.067 0.000 2.145 396 Y HA -0.114 4.421 4.550 -0.025 0.000 0.286 396 Y C 2.594 178.517 175.900 0.038 0.000 1.145 396 Y CA 1.442 59.571 58.100 0.049 0.000 1.148 396 Y CB -0.037 38.452 38.460 0.049 0.000 0.981 396 Y HN -0.100 nan 8.280 nan 0.000 0.507 397 K N -0.539 119.969 120.400 0.180 0.000 2.032 397 K HA -0.231 4.074 4.320 -0.025 0.000 0.209 397 K C 1.903 178.533 176.600 0.049 0.000 1.048 397 K CA 1.884 58.203 56.287 0.054 0.000 0.927 397 K CB -0.552 31.905 32.500 -0.071 0.000 0.712 397 K HN 0.196 nan 8.250 nan 0.000 0.441 398 F N 1.443 121.300 119.950 -0.155 0.000 2.095 398 F HA -0.275 4.237 4.527 -0.025 0.000 0.298 398 F C 1.985 177.900 175.800 0.193 0.000 1.104 398 F CA 1.303 59.292 58.000 -0.019 0.000 1.232 398 F CB -0.186 38.795 39.000 -0.031 0.000 0.987 398 F HN -0.250 nan 8.300 nan 0.000 0.475 399 V N 0.457 120.517 119.914 0.244 0.000 2.343 399 V HA -0.319 3.786 4.120 -0.025 0.000 0.247 399 V C 2.300 178.397 176.094 0.005 0.000 1.051 399 V CA 2.253 64.611 62.300 0.097 0.000 1.036 399 V CB -0.680 31.110 31.823 -0.056 0.000 0.654 399 V HN 0.283 nan 8.190 nan 0.000 0.451 400 K N -1.174 119.244 120.400 0.029 0.000 2.063 400 K HA -0.272 4.033 4.320 -0.025 0.000 0.208 400 K C 1.930 178.529 176.600 -0.001 0.000 1.048 400 K CA 2.194 58.489 56.287 0.013 0.000 0.928 400 K CB -0.361 32.172 32.500 0.054 0.000 0.713 400 K HN 0.633 nan 8.250 nan 0.000 0.442 401 W N 1.505 122.719 121.300 -0.144 0.000 2.355 401 W HA -0.193 4.452 4.660 -0.025 0.000 0.309 401 W C 2.138 178.546 176.519 -0.184 0.000 1.206 401 W CA 1.525 58.798 57.345 -0.120 0.000 1.284 401 W CB -0.159 29.180 29.460 -0.202 0.000 1.145 401 W HN -0.025 nan 8.180 nan 0.000 0.502 402 M N 0.086 119.569 119.600 -0.195 0.000 2.159 402 M HA -0.205 4.260 4.480 -0.025 0.000 0.263 402 M C 1.840 177.916 176.300 -0.374 0.000 1.063 402 M CA 2.345 57.405 55.300 -0.401 0.000 1.110 402 M CB -0.514 32.056 32.600 -0.050 0.000 1.374 402 M HN -0.074 nan 8.290 nan 0.000 0.411 403 T N 0.470 114.882 114.554 -0.237 0.000 2.674 403 T HA -0.209 4.126 4.350 -0.025 0.000 0.265 403 T C 1.660 176.176 174.700 -0.306 0.000 1.039 403 T CA 1.879 63.850 62.100 -0.214 0.000 1.150 403 T CB -0.293 68.491 68.868 -0.140 0.000 0.864 403 T HN 0.434 nan 8.240 nan 0.000 0.427 404 K N 0.177 120.350 120.400 -0.379 0.000 2.002 404 K HA -0.179 4.126 4.320 -0.025 0.000 0.209 404 K C 2.335 178.526 176.600 -0.682 0.000 1.048 404 K CA 1.521 57.501 56.287 -0.512 0.000 0.930 404 K CB -0.133 32.013 32.500 -0.590 0.000 0.714 404 K HN 0.453 nan 8.250 nan 0.000 0.438 405 H N -0.294 118.399 119.070 -0.628 0.000 2.372 405 H HA 0.059 4.600 4.556 -0.025 0.000 0.301 405 H C 1.509 176.436 175.328 -0.669 0.000 1.065 405 H CA 0.948 56.570 56.048 -0.709 0.000 1.364 405 H CB 0.402 29.512 29.762 -1.086 0.000 1.406 405 H HN 0.122 nan 8.280 nan 0.000 0.521 406 K N 0.687 120.693 120.400 -0.657 0.000 2.354 406 K HA 0.061 4.366 4.320 -0.025 0.000 0.194 406 K C 0.360 176.724 176.600 -0.393 0.000 1.038 406 K CA -0.094 55.812 56.287 -0.636 0.000 1.052 406 K CB 0.868 32.774 32.500 -0.991 0.000 0.861 406 K HN 0.024 nan 8.250 nan 0.000 0.535 407 K N 0.341 120.545 120.400 -0.327 0.000 3.167 407 K HA -0.167 4.138 4.320 -0.025 0.000 0.272 407 K C -0.865 175.643 176.600 -0.153 0.000 1.137 407 K CA 0.271 56.428 56.287 -0.217 0.000 0.800 407 K CB -1.491 30.899 32.500 -0.183 0.000 1.253 407 K HN 0.129 nan 8.250 nan 0.000 0.497 408 L N -0.101 121.039 121.223 -0.138 0.000 2.470 408 L HA 0.574 4.899 4.340 -0.025 0.000 0.268 408 L C -0.343 176.536 176.870 0.015 0.000 0.964 408 L CA 0.067 54.888 54.840 -0.031 0.000 0.839 408 L CB 1.943 44.001 42.059 -0.001 0.000 1.276 408 L HN 0.210 nan 8.230 nan 0.000 0.403 409 T N 2.102 116.673 114.554 0.028 0.000 2.918 409 T HA 1.010 5.345 4.350 -0.025 0.000 0.286 409 T C -0.231 174.460 174.700 -0.016 0.000 1.026 409 T CA -0.011 62.081 62.100 -0.013 0.000 1.031 409 T CB 1.925 70.762 68.868 -0.052 0.000 1.046 409 T HN 1.013 nan 8.240 nan 0.000 0.479 410 A N 1.636 124.365 122.820 -0.152 0.000 2.535 410 A HA 0.793 5.098 4.320 -0.025 0.000 0.296 410 A C -1.487 175.873 177.584 -0.373 0.000 1.248 410 A CA -0.983 50.858 52.037 -0.327 0.000 0.686 410 A CB 1.139 19.629 19.000 -0.850 0.000 1.315 410 A HN 0.756 nan 8.150 nan 0.000 0.460 411 I N 1.566 121.906 120.570 -0.384 0.000 2.406 411 I HA 0.379 4.534 4.170 -0.025 0.000 0.290 411 I C -2.492 173.404 176.117 -0.368 0.000 0.999 411 I CA -2.356 58.653 61.300 -0.484 0.000 1.124 411 I CB 1.350 39.206 38.000 -0.240 0.000 1.289 411 I HN 0.317 nan 8.210 nan 0.000 0.441 412 P HA 0.070 nan 4.420 nan 0.000 0.267 412 P C 0.962 178.196 177.300 -0.111 0.000 1.209 412 P CA 0.025 62.976 63.100 -0.249 0.000 0.763 412 P CB 1.351 32.819 31.700 -0.387 0.000 0.816 413 V N 3.059 123.000 119.914 0.045 0.000 2.759 413 V HA -0.197 3.908 4.120 -0.025 0.000 0.256 413 V C 2.510 178.645 176.094 0.068 0.000 1.080 413 V CA 2.500 64.891 62.300 0.151 0.000 1.101 413 V CB -1.310 30.581 31.823 0.114 0.000 0.698 413 V HN 0.670 nan 8.190 nan 0.000 0.477 414 S N 1.087 116.836 115.700 0.081 0.000 2.500 414 S HA -0.084 4.371 4.470 -0.025 0.000 0.239 414 S C 1.936 176.495 174.600 -0.070 0.000 0.989 414 S CA 1.046 59.283 58.200 0.062 0.000 0.951 414 S CB -0.385 62.911 63.200 0.160 0.000 0.759 414 S HN 0.568 nan 8.310 nan 0.000 0.523 415 A N 0.444 123.140 122.820 -0.206 0.000 2.121 415 A HA 0.249 4.554 4.320 -0.025 0.000 0.218 415 A C 1.102 178.154 177.584 -0.888 0.000 1.154 415 A CA 0.592 52.305 52.037 -0.541 0.000 0.679 415 A CB -0.693 17.829 19.000 -0.798 0.000 0.795 415 A HN 0.613 nan 8.150 nan 0.000 0.458 416 F N -1.224 118.461 119.950 -0.441 0.000 2.684 416 F HA 0.299 4.812 4.527 -0.025 0.000 0.298 416 F C 0.227 175.357 175.800 -1.116 0.000 1.120 416 F CA -0.814 56.745 58.000 -0.736 0.000 1.332 416 F CB -0.012 38.655 39.000 -0.556 0.000 0.986 416 F HN 0.009 nan 8.300 nan 0.000 0.524 417 C N 1.173 120.060 119.300 -0.689 0.000 2.563 417 C HA 0.377 4.822 4.460 -0.025 0.000 0.314 417 C C -0.103 174.707 174.990 -0.299 0.000 1.199 417 C CA -1.356 57.361 59.018 -0.501 0.000 1.564 417 C CB 1.276 28.900 27.740 -0.193 0.000 2.173 417 C HN 0.478 nan 8.230 nan 0.000 0.485 418 D N 1.506 121.800 120.400 -0.177 0.000 2.357 418 D HA 0.061 4.686 4.640 -0.025 0.000 0.242 418 D C 0.866 177.090 176.300 -0.127 0.000 1.153 418 D CA -0.115 53.737 54.000 -0.247 0.000 0.918 418 D CB 0.792 41.014 40.800 -0.962 0.000 1.181 418 D HN 0.501 nan 8.370 nan 0.000 0.435 419 S N 1.168 116.823 115.700 -0.073 0.000 2.381 419 S HA -0.223 4.232 4.470 -0.025 0.000 0.230 419 S C 1.611 176.218 174.600 0.012 0.000 1.052 419 S CA 1.250 59.435 58.200 -0.025 0.000 1.068 419 S CB -0.201 62.995 63.200 -0.006 0.000 0.918 419 S HN 0.546 nan 8.310 nan 0.000 0.448 420 K N 1.315 121.736 120.400 0.035 0.000 2.288 420 K HA 0.196 4.501 4.320 -0.025 0.000 0.201 420 K C 2.014 178.728 176.600 0.190 0.000 1.048 420 K CA 0.594 56.941 56.287 0.101 0.000 0.956 420 K CB -0.430 32.144 32.500 0.124 0.000 0.746 420 K HN 0.275 nan 8.250 nan 0.000 0.461 421 S N 1.070 116.880 115.700 0.183 0.000 2.458 421 S HA 0.037 4.492 4.470 -0.025 0.000 0.223 421 S C 1.619 176.442 174.600 0.372 0.000 1.019 421 S CA 0.358 58.779 58.200 0.369 0.000 0.937 421 S CB 0.160 63.536 63.200 0.293 0.000 0.788 421 S HN 0.277 nan 8.310 nan 0.000 0.511 422 K N 1.457 121.962 120.400 0.174 0.000 2.071 422 K HA -0.172 4.133 4.320 -0.025 0.000 0.217 422 K C -1.065 175.594 176.600 0.098 0.000 1.054 422 K CA 1.933 58.298 56.287 0.129 0.000 0.937 422 K CB -1.297 31.224 32.500 0.035 0.000 0.719 422 K HN 0.303 nan 8.250 nan 0.000 0.454 423 P HA -0.142 nan 4.420 nan 0.000 0.225 423 P C 0.509 177.647 177.300 -0.270 0.000 1.148 423 P CA 1.267 64.255 63.100 -0.187 0.000 0.779 423 P CB -0.000 31.512 31.700 -0.312 0.000 0.780 424 H N -2.965 116.131 119.070 0.043 0.000 2.548 424 H HA 0.220 4.761 4.556 -0.025 0.000 0.265 424 H C 0.706 175.833 175.328 -0.334 0.000 0.969 424 H CA 0.736 56.698 56.048 -0.144 0.000 1.155 424 H CB 0.003 29.642 29.762 -0.205 0.000 1.394 424 H HN 0.248 nan 8.280 nan 0.000 0.570 425 F N -0.041 120.017 119.950 0.181 0.000 2.856 425 F HA 0.104 4.617 4.527 -0.024 0.000 0.338 425 F C 1.708 177.582 175.800 0.122 0.000 1.100 425 F CA -0.229 57.870 58.000 0.166 0.000 1.150 425 F CB 0.575 39.654 39.000 0.131 0.000 1.101 425 F HN 0.100 nan 8.300 nan 0.000 0.548 426 E N -0.094 120.245 120.200 0.231 0.000 2.502 426 E HA -0.007 4.328 4.350 -0.025 0.000 0.194 426 E C 0.989 177.719 176.600 0.216 0.000 1.062 426 E CA 0.469 56.997 56.400 0.214 0.000 0.867 426 E CB -0.048 29.759 29.700 0.178 0.000 0.888 426 E HN 0.017 nan 8.360 nan 0.000 0.510 427 K N 0.610 121.098 120.400 0.147 0.000 2.410 427 K HA 0.203 4.508 4.320 -0.025 0.000 0.200 427 K C -0.439 176.234 176.600 0.121 0.000 1.023 427 K CA -0.156 56.187 56.287 0.092 0.000 1.149 427 K CB 0.424 32.899 32.500 -0.041 0.000 0.859 427 K HN 0.137 nan 8.250 nan 0.000 0.514 428 L N 0.571 121.896 121.223 0.170 0.000 2.329 428 L HA 0.426 4.751 4.340 -0.025 0.000 0.279 428 L C -0.386 176.553 176.870 0.115 0.000 1.014 428 L CA -1.077 53.859 54.840 0.160 0.000 0.814 428 L CB 1.902 44.090 42.059 0.216 0.000 1.257 428 L HN -0.306 nan 8.230 nan 0.000 0.424 429 V N 3.600 123.572 119.914 0.097 0.000 2.656 429 V HA 0.567 4.672 4.120 -0.025 0.000 0.307 429 V C -0.153 175.932 176.094 -0.016 0.000 1.051 429 V CA -0.916 61.392 62.300 0.013 0.000 0.893 429 V CB 2.481 34.316 31.823 0.021 0.000 0.999 429 V HN 0.675 nan 8.190 nan 0.000 0.426 430 R N 2.947 123.368 120.500 -0.132 0.000 2.294 430 R HA 0.616 4.941 4.340 -0.025 0.000 0.319 430 R C -1.848 174.360 176.300 -0.154 0.000 0.984 430 R CA -0.320 55.756 56.100 -0.040 0.000 0.861 430 R CB 0.962 31.235 30.300 -0.045 0.000 1.104 430 R HN 0.554 nan 8.270 nan 0.000 0.451 431 F N 2.707 122.804 119.950 0.245 0.000 2.508 431 F HA 0.398 4.910 4.527 -0.025 0.000 0.325 431 F C 0.178 176.219 175.800 0.401 0.000 1.090 431 F CA -0.674 57.508 58.000 0.302 0.000 0.945 431 F CB 1.661 40.838 39.000 0.296 0.000 1.156 431 F HN 0.422 nan 8.300 nan 0.000 0.463 432 C N 4.695 124.309 119.300 0.523 0.000 2.355 432 C HA 0.615 5.060 4.460 -0.025 0.000 0.332 432 C C 0.429 175.550 174.990 0.218 0.000 1.255 432 C CA -0.688 58.523 59.018 0.322 0.000 1.792 432 C CB -0.769 27.149 27.740 0.297 0.000 2.300 432 C HN 0.830 nan 8.230 nan 0.000 0.515 433 F N 3.654 123.635 119.950 0.051 0.000 2.735 433 F HA 0.421 4.933 4.527 -0.025 0.000 0.308 433 F C 0.139 175.898 175.800 -0.067 0.000 1.112 433 F CA -0.735 57.279 58.000 0.023 0.000 1.235 433 F CB -0.602 38.423 39.000 0.040 0.000 1.027 433 F HN 0.399 nan 8.300 nan 0.000 0.528 434 I N 3.355 123.698 120.570 -0.379 0.000 2.270 434 I HA 0.229 4.384 4.170 -0.025 0.000 0.294 434 I C -0.798 175.224 176.117 -0.157 0.000 1.164 434 I CA 0.198 61.286 61.300 -0.353 0.000 1.680 434 I CB -0.648 36.856 38.000 -0.827 0.000 1.494 434 I HN 0.033 nan 8.210 nan 0.000 0.767 435 K N 5.981 126.376 120.400 -0.008 0.000 2.477 435 K HA 0.365 4.670 4.320 -0.025 0.000 0.255 435 K C -0.869 175.762 176.600 0.051 0.000 0.952 435 K CA -0.833 55.476 56.287 0.037 0.000 0.826 435 K CB 1.912 34.465 32.500 0.088 0.000 1.331 435 K HN 0.360 nan 8.250 nan 0.000 0.437 436 K N 0.818 121.247 120.400 0.048 0.000 2.258 436 K HA 0.124 4.430 4.320 -0.025 0.000 0.264 436 K C -0.034 176.598 176.600 0.054 0.000 1.007 436 K CA -0.232 56.083 56.287 0.046 0.000 0.941 436 K CB 0.593 33.116 32.500 0.039 0.000 0.966 436 K HN 0.277 nan 8.250 nan 0.000 0.480 437 D N 1.468 121.896 120.400 0.047 0.000 2.157 437 D HA -0.240 4.385 4.640 -0.025 0.000 0.191 437 D C 1.983 178.312 176.300 0.048 0.000 1.004 437 D CA 2.376 56.403 54.000 0.045 0.000 0.854 437 D CB -0.443 40.378 40.800 0.035 0.000 0.936 437 D HN 0.762 nan 8.370 nan 0.000 0.446 438 S N -0.385 115.341 115.700 0.043 0.000 2.400 438 S HA -0.163 4.292 4.470 -0.025 0.000 0.232 438 S C 2.034 176.663 174.600 0.049 0.000 1.025 438 S CA 1.668 59.892 58.200 0.041 0.000 0.993 438 S CB -0.662 62.559 63.200 0.035 0.000 0.808 438 S HN 0.170 nan 8.310 nan 0.000 0.478 439 T N 2.812 117.401 114.554 0.059 0.000 2.770 439 T HA 0.209 4.544 4.350 -0.025 0.000 0.263 439 T C 1.704 176.456 174.700 0.086 0.000 1.039 439 T CA 1.309 63.451 62.100 0.069 0.000 1.142 439 T CB -0.448 68.468 68.868 0.079 0.000 0.868 439 T HN 0.345 nan 8.240 nan 0.000 0.435 440 L N 0.988 122.267 121.223 0.093 0.000 2.201 440 L HA -0.067 4.258 4.340 -0.025 0.000 0.212 440 L C 2.354 179.285 176.870 0.102 0.000 1.105 440 L CA 0.819 55.725 54.840 0.111 0.000 0.775 440 L CB -0.655 41.467 42.059 0.105 0.000 0.913 440 L HN 0.122 nan 8.230 nan 0.000 0.440 441 D N 0.854 121.299 120.400 0.075 0.000 2.106 441 D HA -0.219 4.407 4.640 -0.025 0.000 0.191 441 D C 2.296 178.636 176.300 0.067 0.000 0.997 441 D CA 1.765 55.805 54.000 0.066 0.000 0.834 441 D CB -0.162 40.667 40.800 0.048 0.000 0.956 441 D HN 0.321 nan 8.370 nan 0.000 0.448 442 A N 1.021 123.874 122.820 0.056 0.000 1.908 442 A HA -0.100 4.205 4.320 -0.025 0.000 0.218 442 A C 2.335 179.940 177.584 0.036 0.000 1.181 442 A CA 2.564 54.624 52.037 0.038 0.000 0.627 442 A CB -0.855 18.161 19.000 0.026 0.000 0.818 442 A HN 0.251 nan 8.150 nan 0.000 0.445 443 A N -0.480 122.381 122.820 0.068 0.000 1.908 443 A HA -0.234 4.071 4.320 -0.025 0.000 0.218 443 A C 2.047 179.713 177.584 0.137 0.000 1.181 443 A CA 1.957 54.039 52.037 0.074 0.000 0.627 443 A CB -0.562 18.561 19.000 0.205 0.000 0.818 443 A HN 0.689 nan 8.150 nan 0.000 0.445 444 E N -0.346 119.977 120.200 0.205 0.000 2.072 444 E HA -0.208 4.127 4.350 -0.025 0.000 0.191 444 E C 1.924 178.630 176.600 0.176 0.000 0.985 444 E CA 1.167 57.715 56.400 0.247 0.000 0.801 444 E CB -0.144 29.648 29.700 0.155 0.000 0.750 444 E HN 0.736 nan 8.360 nan 0.000 0.452 445 E N 0.233 120.493 120.200 0.100 0.000 2.097 445 E HA -0.230 4.105 4.350 -0.025 0.000 0.196 445 E C 2.115 178.751 176.600 0.060 0.000 1.000 445 E CA 1.465 57.906 56.400 0.068 0.000 0.804 445 E CB -0.123 29.598 29.700 0.034 0.000 0.740 445 E HN 0.397 nan 8.360 nan 0.000 0.454 446 I N -0.087 120.488 120.570 0.009 0.000 2.286 446 I HA -0.225 3.930 4.170 -0.025 0.000 0.245 446 I C 1.851 178.035 176.117 0.111 0.000 1.104 446 I CA 0.856 62.130 61.300 -0.044 0.000 1.397 446 I CB -0.164 37.715 38.000 -0.202 0.000 1.072 446 I HN 0.035 nan 8.210 nan 0.000 0.417 447 F N 0.920 121.031 119.950 0.268 0.000 2.234 447 F HA -0.105 4.407 4.527 -0.025 0.000 0.299 447 F C 2.610 178.532 175.800 0.203 0.000 1.087 447 F CA 1.168 59.328 58.000 0.267 0.000 1.340 447 F CB -0.610 38.439 39.000 0.081 0.000 1.031 447 F HN -0.106 nan 8.300 nan 0.000 0.500 448 R N -0.190 120.489 120.500 0.297 0.000 2.090 448 R HA 0.014 4.339 4.340 -0.025 0.000 0.228 448 R C 2.059 178.470 176.300 0.185 0.000 1.110 448 R CA 1.081 57.300 56.100 0.198 0.000 0.973 448 R CB -0.568 29.814 30.300 0.136 0.000 0.869 448 R HN 0.213 nan 8.270 nan 0.000 0.440 449 A N 0.288 123.214 122.820 0.176 0.000 2.259 449 A HA -0.080 4.225 4.320 -0.025 0.000 0.208 449 A C 1.432 179.129 177.584 0.188 0.000 1.201 449 A CA -0.174 51.943 52.037 0.134 0.000 0.824 449 A CB -0.610 18.426 19.000 0.059 0.000 0.838 449 A HN 0.489 nan 8.150 nan 0.000 0.485 450 W N 1.061 122.406 121.300 0.074 0.000 2.381 450 W HA -0.044 4.601 4.660 -0.025 0.000 0.301 450 W C 0.017 176.593 176.519 0.095 0.000 1.205 450 W CA 1.447 58.846 57.345 0.091 0.000 1.285 450 W CB -0.191 29.371 29.460 0.170 0.000 1.133 450 W HN 0.407 nan 8.180 nan 0.000 0.521 451 N N 0.000 118.932 118.700 0.387 0.000 1.763 451 N HA 0.000 4.725 4.740 -0.025 0.000 0.220 451 N CA 0.000 53.199 53.050 0.249 0.000 0.885 451 N CB 0.000 38.642 38.487 0.258 0.000 1.341 451 N HN 0.000 nan 8.380 nan 0.000 0.667