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 1sff_1_D DATA FIRST_RESID 2 DATA SEQUENCE NSNKELMQRR SQAIPRGVGQ IHPIFADRAE NCRVWDVEGR EYLDFAGGIA DATA SEQUENCE VLNTGHLHPK VVAAVEAQLK KLSHTCFQVL AYEPYLELCE IMNQKVPGDF DATA SEQUENCE AKKTLLVTTG SEAVENAVKI ARAATKRSGT IAFSGAYHGR THYTLALTGK DATA SEQUENCE VNPYSAGMGL MPGHVYRALY PCPLHGISED DAIASIHRIF KNDAAPEDIA DATA SEQUENCE AIVIEPVQGE GGFYASSPAF MQRLRALCDE HGIMLIADEV QSGAGRTGTL DATA SEQUENCE FAMEQMGVAP DLTTFAKSIA GGFPLAGVTG RAEVMDAVAP GGLGGTYAGN DATA SEQUENCE PIACVAALEV LKVFEQENLL QKANDLGQKL KDGLLAIAEK HPEIGDVRGL DATA SEQUENCE GAMIAIELFE DGDHNKPDAK LTAEIVARAR DKGLILLSCG PYYNVLRILV DATA SEQUENCE PLTIEDAQIR QGLEIISQCF DEAKQ 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 2 N HA 0.000 nan 4.740 nan 0.000 0.220 2 N C 0.000 175.497 175.510 -0.021 0.000 1.280 2 N CA 0.000 53.034 53.050 -0.027 0.000 0.885 2 N CB 0.000 38.469 38.487 -0.029 0.000 1.341 3 S N 0.617 116.289 115.700 -0.048 0.000 2.536 3 S HA 0.413 4.883 4.470 -0.000 0.000 0.271 3 S C 0.001 174.567 174.600 -0.058 0.000 1.134 3 S CA -0.683 57.500 58.200 -0.029 0.000 0.897 3 S CB 1.629 64.816 63.200 -0.023 0.000 1.094 3 S HN 0.611 nan 8.310 nan 0.000 0.473 4 N N 2.502 121.210 118.700 0.012 0.000 2.104 4 N HA -0.087 4.653 4.740 -0.000 0.000 0.190 4 N C 1.335 176.854 175.510 0.014 0.000 1.024 4 N CA 1.486 54.574 53.050 0.064 0.000 0.853 4 N CB -0.328 38.247 38.487 0.148 0.000 1.008 4 N HN 0.691 nan 8.380 nan 0.000 0.424 5 K N 0.908 121.314 120.400 0.010 0.000 2.097 5 K HA -0.112 4.208 4.320 -0.000 0.000 0.205 5 K C 1.929 178.502 176.600 -0.044 0.000 1.050 5 K CA 0.789 57.078 56.287 0.002 0.000 0.938 5 K CB -0.046 32.459 32.500 0.008 0.000 0.718 5 K HN 0.317 nan 8.250 nan 0.000 0.442 6 E N 1.301 121.455 120.200 -0.078 0.000 2.077 6 E HA -0.185 4.165 4.350 -0.000 0.000 0.193 6 E C 1.914 178.408 176.600 -0.177 0.000 0.989 6 E CA 0.899 57.238 56.400 -0.103 0.000 0.800 6 E CB 0.017 29.656 29.700 -0.101 0.000 0.746 6 E HN 0.217 nan 8.360 nan 0.000 0.452 7 L N 0.151 121.174 121.223 -0.335 0.000 2.093 7 L HA -0.165 4.175 4.340 -0.000 0.000 0.208 7 L C 2.677 179.319 176.870 -0.380 0.000 1.085 7 L CA 0.587 55.026 54.840 -0.669 0.000 0.755 7 L CB -0.336 40.740 42.059 -1.639 0.000 0.904 7 L HN 0.305 nan 8.230 nan 0.000 0.435 8 M N -0.592 118.956 119.600 -0.088 0.000 2.159 8 M HA -0.216 4.264 4.480 -0.000 0.000 0.263 8 M C 2.278 178.607 176.300 0.049 0.000 1.063 8 M CA 1.600 56.978 55.300 0.129 0.000 1.110 8 M CB -0.900 31.782 32.600 0.136 0.000 1.374 8 M HN 0.237 nan 8.290 nan 0.000 0.411 9 Q N 0.596 120.391 119.800 -0.009 0.000 2.079 9 Q HA -0.083 4.256 4.340 -0.000 0.000 0.200 9 Q C 2.001 177.996 176.000 -0.010 0.000 0.974 9 Q CA 1.722 57.520 55.803 -0.008 0.000 0.840 9 Q CB -0.105 28.620 28.738 -0.022 0.000 0.898 9 Q HN 0.397 nan 8.270 nan 0.000 0.430 10 R N -0.416 120.062 120.500 -0.037 0.000 2.096 10 R HA -0.064 4.276 4.340 -0.000 0.000 0.235 10 R C 2.461 178.772 176.300 0.018 0.000 1.127 10 R CA 1.354 57.438 56.100 -0.026 0.000 0.968 10 R CB -0.300 29.961 30.300 -0.066 0.000 0.861 10 R HN 0.220 nan 8.270 nan 0.000 0.440 11 R N 0.799 121.332 120.500 0.056 0.000 2.073 11 R HA -0.145 4.195 4.340 -0.000 0.000 0.234 11 R C 2.252 178.592 176.300 0.067 0.000 1.134 11 R CA 2.111 58.280 56.100 0.115 0.000 0.952 11 R CB -0.221 30.212 30.300 0.222 0.000 0.850 11 R HN 0.284 nan 8.270 nan 0.000 0.433 12 S N 0.023 115.753 115.700 0.050 0.000 2.419 12 S HA -0.122 4.348 4.470 -0.000 0.000 0.233 12 S C 1.679 176.293 174.600 0.022 0.000 1.016 12 S CA 0.808 59.027 58.200 0.031 0.000 0.974 12 S CB -0.006 63.207 63.200 0.022 0.000 0.786 12 S HN 0.358 nan 8.310 nan 0.000 0.492 13 Q N 0.461 120.273 119.800 0.019 0.000 2.354 13 Q HA 0.386 4.726 4.340 -0.000 0.000 0.203 13 Q C 1.990 178.000 176.000 0.017 0.000 0.933 13 Q CA 1.117 56.928 55.803 0.014 0.000 0.901 13 Q CB -0.147 28.596 28.738 0.007 0.000 1.007 13 Q HN 0.755 nan 8.270 nan 0.000 0.495 14 A N -0.415 122.420 122.820 0.025 0.000 2.259 14 A HA 0.318 4.638 4.320 -0.000 0.000 0.213 14 A C 0.802 178.405 177.584 0.031 0.000 1.209 14 A CA -0.063 51.991 52.037 0.027 0.000 0.910 14 A CB 0.695 19.714 19.000 0.031 0.000 0.946 14 A HN 0.156 nan 8.150 nan 0.000 0.497 15 I N 1.857 122.448 120.570 0.036 0.000 2.509 15 I HA 0.323 4.493 4.170 -0.000 0.000 0.293 15 I C -2.356 173.776 176.117 0.025 0.000 1.020 15 I CA -2.441 58.880 61.300 0.034 0.000 1.088 15 I CB 2.247 40.275 38.000 0.045 0.000 1.267 15 I HN 0.047 nan 8.210 nan 0.000 0.430 16 P HA 0.052 nan 4.420 nan 0.000 0.266 16 P C 0.201 177.507 177.300 0.010 0.000 1.195 16 P CA -0.270 62.839 63.100 0.014 0.000 0.768 16 P CB 0.600 32.309 31.700 0.014 0.000 0.838 17 R N 1.710 122.213 120.500 0.005 0.000 2.293 17 R HA -0.047 4.293 4.340 -0.000 0.000 0.219 17 R C 1.886 178.182 176.300 -0.007 0.000 1.091 17 R CA 1.350 57.448 56.100 -0.002 0.000 1.004 17 R CB -1.409 28.887 30.300 -0.007 0.000 0.865 17 R HN 0.515 nan 8.270 nan 0.000 0.469 18 G N 1.343 110.142 108.800 -0.001 0.000 2.470 18 G HA2 -0.094 3.865 3.960 -0.000 0.000 0.220 18 G HA3 -0.094 3.865 3.960 -0.000 0.000 0.220 18 G C 0.498 175.400 174.900 0.004 0.000 1.121 18 G CA 0.282 45.382 45.100 -0.000 0.000 0.766 18 G HN 0.163 nan 8.290 nan 0.000 0.553 19 V N 1.869 121.785 119.914 0.004 0.000 2.372 19 V HA 0.495 4.614 4.120 -0.000 0.000 0.261 19 V C 1.233 177.318 176.094 -0.015 0.000 1.055 19 V CA -0.526 61.775 62.300 0.001 0.000 0.930 19 V CB 0.330 32.153 31.823 0.001 0.000 1.031 19 V HN 0.249 nan 8.190 nan 0.000 0.479 20 G N 3.706 112.493 108.800 -0.022 0.000 2.667 20 G HA2 0.402 4.362 3.960 -0.000 0.000 0.250 20 G HA3 0.402 4.362 3.960 -0.000 0.000 0.250 20 G C -0.395 174.469 174.900 -0.060 0.000 1.212 20 G CA -0.145 44.928 45.100 -0.045 0.000 0.874 20 G HN 0.605 nan 8.290 nan 0.000 0.561 21 Q N -0.219 119.534 119.800 -0.078 0.000 2.414 21 Q HA 0.297 4.637 4.340 -0.000 0.000 0.256 21 Q C 0.845 176.764 176.000 -0.136 0.000 0.974 21 Q CA -0.651 55.094 55.803 -0.097 0.000 0.723 21 Q CB 1.041 29.736 28.738 -0.071 0.000 1.281 21 Q HN 0.283 nan 8.270 nan 0.000 0.470 22 I N 1.586 122.045 120.570 -0.184 0.000 2.202 22 I HA -0.116 4.053 4.170 -0.000 0.000 0.242 22 I C 0.139 175.973 176.117 -0.473 0.000 1.091 22 I CA 1.177 62.276 61.300 -0.335 0.000 1.368 22 I CB -0.661 37.101 38.000 -0.397 0.000 1.058 22 I HN 0.625 nan 8.210 nan 0.000 0.410 23 H N 1.861 120.867 119.070 -0.107 0.000 2.539 23 H HA 0.250 4.805 4.556 -0.000 0.000 0.332 23 H C -1.959 173.304 175.328 -0.109 0.000 1.031 23 H CA -1.729 54.251 56.048 -0.113 0.000 1.206 23 H CB 1.280 30.947 29.762 -0.158 0.000 1.446 23 H HN -0.018 nan 8.280 nan 0.000 0.496 24 P HA 0.065 nan 4.420 nan 0.000 0.228 24 P C -0.756 176.604 177.300 0.101 0.000 1.748 24 P CA 0.301 63.435 63.100 0.055 0.000 0.909 24 P CB -0.073 31.662 31.700 0.058 0.000 1.882 25 I N 1.000 121.587 120.570 0.028 0.000 2.545 25 I HA 0.357 4.527 4.170 -0.000 0.000 0.292 25 I C -0.147 175.957 176.117 -0.021 0.000 1.040 25 I CA -1.221 60.098 61.300 0.031 0.000 1.068 25 I CB 1.529 39.425 38.000 -0.173 0.000 1.251 25 I HN -0.114 nan 8.210 nan 0.000 0.424 26 F N 3.908 123.837 119.950 -0.034 0.000 2.388 26 F HA 0.590 5.116 4.527 -0.000 0.000 0.358 26 F C 0.828 176.617 175.800 -0.019 0.000 1.122 26 F CA -0.613 57.374 58.000 -0.022 0.000 1.056 26 F CB 1.559 40.559 39.000 -0.001 0.000 1.155 26 F HN 0.515 nan 8.300 nan 0.000 0.461 27 A N 2.758 125.596 122.820 0.029 0.000 2.425 27 A HA 0.273 4.593 4.320 -0.000 0.000 0.249 27 A C 0.623 178.264 177.584 0.095 0.000 1.084 27 A CA -0.033 52.021 52.037 0.027 0.000 0.781 27 A CB 0.368 19.336 19.000 -0.053 0.000 1.019 27 A HN 0.831 nan 8.150 nan 0.000 0.490 28 D N 0.566 121.039 120.400 0.121 0.000 2.856 28 D HA 0.159 4.799 4.640 -0.000 0.000 0.283 28 D C 0.635 177.002 176.300 0.113 0.000 1.051 28 D CA 0.794 54.866 54.000 0.120 0.000 0.965 28 D CB 0.360 41.237 40.800 0.128 0.000 1.201 28 D HN 0.611 nan 8.370 nan 0.000 0.474 29 R N -0.652 119.955 120.500 0.179 0.000 2.817 29 R HA 0.864 5.204 4.340 -0.000 0.000 0.268 29 R C -1.421 175.042 176.300 0.270 0.000 1.027 29 R CA -1.022 55.197 56.100 0.199 0.000 0.928 29 R CB 2.425 32.830 30.300 0.175 0.000 1.228 29 R HN 0.046 nan 8.270 nan 0.000 0.469 30 A N 0.792 123.728 122.820 0.194 0.000 2.605 30 A HA 0.591 4.910 4.320 -0.000 0.000 0.294 30 A C -1.769 175.898 177.584 0.139 0.000 1.062 30 A CA -0.579 51.444 52.037 -0.023 0.000 0.682 30 A CB 2.244 20.821 19.000 -0.704 0.000 1.278 30 A HN 0.733 nan 8.150 nan 0.000 0.410 31 E N 1.654 121.939 120.200 0.141 0.000 2.343 31 E HA 0.413 4.763 4.350 -0.000 0.000 0.288 31 E C 0.293 176.988 176.600 0.157 0.000 0.907 31 E CA -0.357 56.169 56.400 0.211 0.000 0.792 31 E CB 0.918 30.795 29.700 0.294 0.000 1.275 31 E HN 0.933 nan 8.360 nan 0.000 0.402 32 N N 2.433 121.234 118.700 0.168 0.000 1.629 32 N HA -0.285 4.455 4.740 -0.000 0.000 0.153 32 N C 0.231 175.834 175.510 0.154 0.000 0.652 32 N CA 2.601 55.725 53.050 0.123 0.000 1.156 32 N CB -1.389 37.138 38.487 0.067 0.000 1.324 32 N HN 0.580 nan 8.380 nan 0.000 0.449 33 C N 2.305 121.660 119.300 0.091 0.000 2.855 33 C HA 0.392 4.852 4.460 -0.000 0.000 0.279 33 C C 0.740 175.733 174.990 0.005 0.000 1.270 33 C CA -0.382 58.691 59.018 0.092 0.000 1.702 33 C CB -1.272 26.520 27.740 0.088 0.000 1.949 33 C HN 0.230 nan 8.230 nan 0.000 0.618 34 R N 0.318 120.743 120.500 -0.126 0.000 2.604 34 R HA 0.730 5.070 4.340 -0.000 0.000 0.287 34 R C -1.184 174.698 176.300 -0.697 0.000 0.970 34 R CA -0.211 55.613 56.100 -0.459 0.000 0.946 34 R CB 1.774 31.684 30.300 -0.649 0.000 1.127 34 R HN 0.001 nan 8.270 nan 0.000 0.473 35 V N 2.056 121.509 119.914 -0.767 0.000 2.709 35 V HA 0.452 4.572 4.120 -0.000 0.000 0.308 35 V C -0.885 174.862 176.094 -0.579 0.000 1.062 35 V CA -0.895 61.056 62.300 -0.581 0.000 0.901 35 V CB 2.209 33.833 31.823 -0.332 0.000 1.003 35 V HN 0.651 nan 8.190 nan 0.000 0.425 36 W N 2.770 124.092 121.300 0.038 0.000 2.587 36 W HA 0.439 5.099 4.660 -0.000 0.000 0.324 36 W C -0.341 176.239 176.519 0.102 0.000 1.040 36 W CA -0.705 56.699 57.345 0.097 0.000 1.222 36 W CB 2.207 31.687 29.460 0.033 0.000 1.381 36 W HN 0.799 nan 8.180 nan 0.000 0.483 37 D N -0.627 119.983 120.400 0.351 0.000 2.478 37 D HA 0.135 4.774 4.640 -0.000 0.000 0.269 37 D C 1.185 177.613 176.300 0.213 0.000 1.232 37 D CA -0.505 53.640 54.000 0.242 0.000 1.059 37 D CB 0.147 41.094 40.800 0.245 0.000 1.104 37 D HN 0.127 nan 8.370 nan 0.000 0.566 38 V N -2.891 117.127 119.914 0.173 0.000 3.078 38 V HA -0.088 4.032 4.120 -0.000 0.000 0.265 38 V C 1.242 177.395 176.094 0.098 0.000 1.122 38 V CA 1.348 63.722 62.300 0.122 0.000 1.141 38 V CB -1.143 30.734 31.823 0.090 0.000 0.735 38 V HN 0.528 nan 8.190 nan 0.000 0.498 39 E N 0.801 121.071 120.200 0.118 0.000 2.479 39 E HA 0.347 4.697 4.350 -0.000 0.000 0.193 39 E C 1.677 178.334 176.600 0.095 0.000 1.049 39 E CA 0.434 56.887 56.400 0.088 0.000 0.870 39 E CB 0.311 30.062 29.700 0.086 0.000 0.944 39 E HN 0.804 nan 8.360 nan 0.000 0.492 40 G N 2.596 111.479 108.800 0.138 0.000 2.159 40 G HA2 -0.346 3.613 3.960 -0.000 0.000 0.256 40 G HA3 -0.346 3.613 3.960 -0.000 0.000 0.256 40 G C 0.324 175.347 174.900 0.204 0.000 0.977 40 G CA 0.271 45.462 45.100 0.152 0.000 0.652 40 G HN 0.270 nan 8.290 nan 0.000 0.531 41 R N 0.943 121.544 120.500 0.169 0.000 2.490 41 R HA 0.494 4.834 4.340 -0.000 0.000 0.280 41 R C 0.116 176.403 176.300 -0.022 0.000 1.077 41 R CA -0.256 55.860 56.100 0.028 0.000 1.065 41 R CB 0.435 30.686 30.300 -0.081 0.000 1.003 41 R HN 0.391 nan 8.270 nan 0.000 0.470 42 E N 3.150 123.237 120.200 -0.189 0.000 2.216 42 E HA 0.182 4.532 4.350 -0.000 0.000 0.279 42 E C -1.500 174.726 176.600 -0.624 0.000 0.997 42 E CA -0.551 55.619 56.400 -0.382 0.000 0.817 42 E CB 0.688 30.300 29.700 -0.147 0.000 1.096 42 E HN 0.457 nan 8.360 nan 0.000 0.393 43 Y N 2.193 122.241 120.300 -0.420 0.000 2.536 43 Y HA 0.368 4.918 4.550 -0.000 0.000 0.347 43 Y C -0.537 175.170 175.900 -0.321 0.000 1.000 43 Y CA -1.157 56.756 58.100 -0.312 0.000 1.051 43 Y CB 1.270 39.565 38.460 -0.274 0.000 1.259 43 Y HN 0.419 nan 8.280 nan 0.000 0.468 44 L N 2.867 124.042 121.223 -0.080 0.000 2.264 44 L HA 0.391 4.731 4.340 -0.000 0.000 0.289 44 L C -0.637 176.244 176.870 0.019 0.000 1.044 44 L CA -0.496 54.305 54.840 -0.064 0.000 0.807 44 L CB 0.559 42.533 42.059 -0.142 0.000 1.192 44 L HN 0.602 nan 8.230 nan 0.000 0.425 45 D N 4.232 124.697 120.400 0.109 0.000 2.411 45 D HA 0.108 4.748 4.640 -0.000 0.000 0.225 45 D C 0.021 176.526 176.300 0.342 0.000 1.156 45 D CA -0.032 54.060 54.000 0.154 0.000 0.874 45 D CB 0.172 41.057 40.800 0.141 0.000 1.034 45 D HN 0.375 nan 8.370 nan 0.000 0.502 46 F N 2.030 121.961 119.950 -0.032 0.000 2.645 46 F HA 0.316 4.842 4.527 -0.000 0.000 0.300 46 F C 1.661 177.450 175.800 -0.017 0.000 1.115 46 F CA -0.375 57.614 58.000 -0.019 0.000 1.355 46 F CB -0.021 38.967 39.000 -0.019 0.000 1.026 46 F HN 0.499 nan 8.300 nan 0.000 0.536 47 A N -0.859 122.036 122.820 0.126 0.000 2.108 47 A HA 0.463 4.783 4.320 -0.000 0.000 0.206 47 A C 1.984 179.579 177.584 0.017 0.000 1.212 47 A CA 0.620 52.692 52.037 0.058 0.000 0.843 47 A CB -0.664 18.370 19.000 0.057 0.000 0.902 47 A HN 0.400 nan 8.150 nan 0.000 0.477 48 G N -0.688 108.115 108.800 0.005 0.000 2.283 48 G HA2 0.122 4.081 3.960 -0.000 0.000 0.280 48 G HA3 0.122 4.081 3.960 -0.000 0.000 0.280 48 G C 1.464 176.314 174.900 -0.083 0.000 1.029 48 G CA 0.861 45.923 45.100 -0.064 0.000 0.840 48 G HN 2.062 nan 8.290 nan 0.000 0.505 49 G N -0.488 108.285 108.800 -0.045 0.000 2.249 49 G HA2 -0.087 3.873 3.960 -0.000 0.000 0.273 49 G HA3 -0.087 3.873 3.960 -0.000 0.000 0.273 49 G C 0.730 175.609 174.900 -0.035 0.000 1.036 49 G CA 0.353 45.427 45.100 -0.043 0.000 0.824 49 G HN 2.142 nan 8.290 nan 0.000 0.504 50 I N -3.549 117.008 120.570 -0.022 0.000 6.579 50 I HA -0.177 3.993 4.170 -0.000 0.000 0.126 50 I C 1.378 177.494 176.117 -0.002 0.000 1.827 50 I CA 0.447 61.738 61.300 -0.014 0.000 2.040 50 I CB -1.964 36.017 38.000 -0.032 0.000 3.510 50 I HN 2.200 nan 8.210 nan 0.000 0.170 51 A N 1.239 124.060 122.820 0.003 0.000 2.905 51 A HA -0.195 4.125 4.320 -0.000 0.000 0.260 51 A C 0.951 178.533 177.584 -0.004 0.000 1.398 51 A CA 1.174 53.215 52.037 0.008 0.000 0.840 51 A CB -1.817 17.201 19.000 0.031 0.000 1.059 51 A HN 0.843 nan 8.150 nan 0.000 0.647 52 V N -1.065 118.833 119.914 -0.026 0.000 3.590 52 V HA 0.158 4.278 4.120 -0.000 0.000 0.265 52 V C 1.239 177.308 176.094 -0.043 0.000 1.239 52 V CA 1.574 63.859 62.300 -0.026 0.000 1.117 52 V CB 0.122 31.918 31.823 -0.045 0.000 0.818 52 V HN 0.583 nan 8.190 nan 0.000 0.451 53 L N 0.380 121.555 121.223 -0.080 0.000 3.100 53 L HA 0.350 4.690 4.340 -0.000 0.000 0.259 53 L C 1.168 178.004 176.870 -0.058 0.000 1.316 53 L CA 0.051 54.824 54.840 -0.111 0.000 0.992 53 L CB -0.432 41.456 42.059 -0.286 0.000 1.390 53 L HN 0.244 nan 8.230 nan 0.000 0.550 54 N N 0.076 118.777 118.700 0.002 0.000 2.289 54 N HA -0.145 4.595 4.740 -0.000 0.000 0.184 54 N C 1.359 176.835 175.510 -0.056 0.000 1.016 54 N CA 1.657 54.715 53.050 0.014 0.000 0.872 54 N CB 0.193 38.774 38.487 0.157 0.000 0.973 54 N HN 0.453 nan 8.380 nan 0.000 0.433 55 T N -1.979 112.554 114.554 -0.036 0.000 3.122 55 T HA 0.405 4.755 4.350 -0.000 0.000 0.250 55 T C 0.845 175.587 174.700 0.069 0.000 1.067 55 T CA -0.104 61.964 62.100 -0.055 0.000 0.966 55 T CB 0.320 69.138 68.868 -0.084 0.000 1.002 55 T HN 0.304 nan 8.240 nan 0.000 0.542 56 G N 1.166 109.974 108.800 0.012 0.000 2.781 56 G HA2 -0.159 3.801 3.960 -0.000 0.000 0.683 56 G HA3 -0.159 3.801 3.960 -0.000 0.000 0.683 56 G C -0.859 174.059 174.900 0.031 0.000 1.390 56 G CA -0.995 44.118 45.100 0.021 0.000 0.850 56 G HN 0.693 nan 8.290 nan 0.000 0.557 57 H N -0.149 118.949 119.070 0.046 0.000 2.886 57 H HA 0.409 4.964 4.556 -0.000 0.000 0.329 57 H C 1.404 176.784 175.328 0.085 0.000 1.044 57 H CA 0.862 56.940 56.048 0.050 0.000 1.456 57 H CB 0.383 30.167 29.762 0.036 0.000 1.464 57 H HN 0.790 nan 8.280 nan 0.000 0.573 58 L N 2.584 123.945 121.223 0.230 0.000 3.879 58 L HA -0.271 4.068 4.340 -0.000 0.000 0.481 58 L C 0.251 177.235 176.870 0.189 0.000 1.232 58 L CA 0.070 55.045 54.840 0.225 0.000 0.736 58 L CB -1.472 40.701 42.059 0.190 0.000 1.511 58 L HN 0.792 nan 8.230 nan 0.000 0.830 59 H N 3.486 122.630 119.070 0.123 0.000 3.094 59 H HA 0.008 4.564 4.556 -0.000 0.000 0.320 59 H C -1.203 174.170 175.328 0.075 0.000 1.000 59 H CA -0.589 55.505 56.048 0.076 0.000 1.413 59 H CB 1.261 31.051 29.762 0.047 0.000 1.405 59 H HN 0.152 nan 8.280 nan 0.000 0.586 60 P HA -0.187 nan 4.420 nan 0.000 0.216 60 P C 1.147 178.538 177.300 0.151 0.000 1.150 60 P CA 1.278 64.393 63.100 0.026 0.000 0.843 60 P CB 0.443 32.105 31.700 -0.064 0.000 0.787 61 K N -0.279 120.328 120.400 0.345 0.000 2.097 61 K HA -0.012 4.308 4.320 -0.000 0.000 0.205 61 K C 2.223 178.905 176.600 0.136 0.000 1.050 61 K CA 0.738 57.155 56.287 0.215 0.000 0.938 61 K CB -1.228 31.388 32.500 0.193 0.000 0.718 61 K HN 0.111 nan 8.250 nan 0.000 0.442 62 V N 1.262 121.286 119.914 0.183 0.000 2.295 62 V HA -0.188 3.932 4.120 -0.000 0.000 0.246 62 V C 2.521 178.629 176.094 0.024 0.000 1.049 62 V CA 1.316 63.658 62.300 0.071 0.000 1.024 62 V CB -0.435 31.467 31.823 0.132 0.000 0.648 62 V HN -0.045 nan 8.190 nan 0.000 0.447 63 V N 0.346 120.323 119.914 0.104 0.000 2.343 63 V HA -0.258 3.862 4.120 -0.000 0.000 0.247 63 V C 2.722 178.832 176.094 0.027 0.000 1.051 63 V CA 2.004 64.352 62.300 0.080 0.000 1.036 63 V CB -1.112 30.787 31.823 0.126 0.000 0.654 63 V HN 0.561 nan 8.190 nan 0.000 0.451 64 A N -0.035 122.808 122.820 0.038 0.000 1.908 64 A HA -0.147 4.173 4.320 -0.000 0.000 0.218 64 A C 2.424 180.005 177.584 -0.005 0.000 1.181 64 A CA 2.168 54.218 52.037 0.020 0.000 0.627 64 A CB -0.757 18.262 19.000 0.031 0.000 0.818 64 A HN 0.578 nan 8.150 nan 0.000 0.445 65 A N -0.643 122.165 122.820 -0.021 0.000 1.902 65 A HA 0.008 4.328 4.320 -0.000 0.000 0.217 65 A C 2.234 179.770 177.584 -0.080 0.000 1.181 65 A CA 1.743 53.754 52.037 -0.044 0.000 0.623 65 A CB -0.944 18.024 19.000 -0.054 0.000 0.818 65 A HN 0.386 nan 8.150 nan 0.000 0.443 66 V N 0.192 120.023 119.914 -0.138 0.000 2.343 66 V HA -0.288 3.832 4.120 -0.000 0.000 0.247 66 V C 2.419 178.464 176.094 -0.082 0.000 1.051 66 V CA 2.363 64.551 62.300 -0.186 0.000 1.036 66 V CB -0.860 30.757 31.823 -0.343 0.000 0.654 66 V HN 0.647 nan 8.190 nan 0.000 0.451 67 E N 0.117 120.294 120.200 -0.038 0.000 2.110 67 E HA -0.201 4.149 4.350 -0.000 0.000 0.193 67 E C 2.311 178.905 176.600 -0.009 0.000 0.988 67 E CA 1.291 57.687 56.400 -0.008 0.000 0.804 67 E CB -0.327 29.379 29.700 0.009 0.000 0.745 67 E HN 0.617 nan 8.360 nan 0.000 0.458 68 A N 1.061 123.873 122.820 -0.014 0.000 1.898 68 A HA -0.246 4.074 4.320 -0.000 0.000 0.216 68 A C 2.139 179.717 177.584 -0.011 0.000 1.181 68 A CA 1.621 53.654 52.037 -0.008 0.000 0.620 68 A CB -0.381 18.616 19.000 -0.005 0.000 0.819 68 A HN 0.118 nan 8.150 nan 0.000 0.442 69 Q N -0.778 119.007 119.800 -0.025 0.000 2.172 69 Q HA -0.042 4.298 4.340 -0.000 0.000 0.200 69 Q C 1.717 177.704 176.000 -0.023 0.000 0.964 69 Q CA 1.230 57.017 55.803 -0.027 0.000 0.855 69 Q CB -0.478 28.233 28.738 -0.045 0.000 0.918 69 Q HN 0.458 nan 8.270 nan 0.000 0.444 70 L N 0.377 121.588 121.223 -0.020 0.000 2.265 70 L HA -0.081 4.259 4.340 -0.000 0.000 0.215 70 L C 1.475 178.346 176.870 0.001 0.000 1.117 70 L CA 1.730 56.566 54.840 -0.006 0.000 0.782 70 L CB -0.196 41.865 42.059 0.003 0.000 0.914 70 L HN 0.115 nan 8.230 nan 0.000 0.441 71 K N -1.143 119.257 120.400 0.001 0.000 2.366 71 K HA -0.071 4.249 4.320 -0.000 0.000 0.198 71 K C 1.718 178.321 176.600 0.004 0.000 1.044 71 K CA 0.694 56.984 56.287 0.005 0.000 0.973 71 K CB 0.197 32.700 32.500 0.006 0.000 0.767 71 K HN 0.379 nan 8.250 nan 0.000 0.475 72 K N 0.161 120.561 120.400 -0.000 0.000 2.159 72 K HA 0.111 4.431 4.320 -0.000 0.000 0.210 72 K C 0.180 176.777 176.600 -0.006 0.000 1.026 72 K CA 0.569 56.856 56.287 -0.001 0.000 0.959 72 K CB 0.200 32.699 32.500 -0.001 0.000 0.890 72 K HN -0.046 nan 8.250 nan 0.000 0.459 73 L N -3.333 117.878 121.223 -0.021 0.000 2.794 73 L HA 0.298 4.638 4.340 -0.000 0.000 0.261 73 L C 0.044 176.887 176.870 -0.045 0.000 0.989 73 L CA -0.664 54.160 54.840 -0.027 0.000 0.900 73 L CB 1.640 43.673 42.059 -0.042 0.000 1.473 73 L HN 0.047 nan 8.230 nan 0.000 0.414 74 S N -1.913 113.781 115.700 -0.010 0.000 2.524 74 S HA 0.355 4.825 4.470 -0.000 0.000 0.222 74 S C 0.246 174.884 174.600 0.063 0.000 1.040 74 S CA 0.511 58.717 58.200 0.009 0.000 0.915 74 S CB -0.218 63.007 63.200 0.042 0.000 0.831 74 S HN 1.088 nan 8.310 nan 0.000 0.492 75 H N 0.282 119.323 119.070 -0.049 0.000 3.129 75 H HA 0.329 4.885 4.556 -0.000 0.000 0.342 75 H C -0.634 174.714 175.328 0.032 0.000 1.092 75 H CA 0.435 56.485 56.048 0.004 0.000 1.310 75 H CB 1.808 31.633 29.762 0.105 0.000 1.932 75 H HN 0.230 nan 8.280 nan 0.000 0.507 76 T N 0.316 114.568 114.554 -0.503 0.000 2.993 76 T HA 0.129 4.479 4.350 -0.000 0.000 0.260 76 T C 0.499 174.990 174.700 -0.348 0.000 0.939 76 T CA 0.418 62.360 62.100 -0.262 0.000 0.886 76 T CB -0.599 68.265 68.868 -0.007 0.000 1.209 76 T HN 0.800 nan 8.240 nan 0.000 0.518 77 C N 1.771 120.752 119.300 -0.532 0.000 2.024 77 C HA -0.178 4.282 4.460 -0.000 0.000 0.262 77 C C 1.059 176.112 174.990 0.106 0.000 0.752 77 C CA -0.545 58.420 59.018 -0.089 0.000 3.025 77 C CB -2.717 25.033 27.740 0.017 0.000 1.723 77 C HN 0.653 nan 8.230 nan 0.000 0.317 78 F N 3.742 123.735 119.950 0.072 0.000 2.087 78 F HA -0.216 4.310 4.527 -0.000 0.000 0.299 78 F C 2.260 177.918 175.800 -0.236 0.000 1.100 78 F CA 2.564 60.422 58.000 -0.237 0.000 1.226 78 F CB -0.086 38.553 39.000 -0.603 0.000 0.983 78 F HN 0.866 nan 8.300 nan 0.000 0.479 79 Q N -0.629 119.181 119.800 0.016 0.000 2.439 79 Q HA -0.106 4.234 4.340 -0.000 0.000 0.211 79 Q C 1.666 177.593 176.000 -0.121 0.000 0.978 79 Q CA 1.605 57.373 55.803 -0.059 0.000 0.897 79 Q CB -0.580 28.183 28.738 0.042 0.000 0.956 79 Q HN 0.444 nan 8.270 nan 0.000 0.483 80 V N 0.050 119.895 119.914 -0.115 0.000 2.484 80 V HA 0.082 4.201 4.120 -0.000 0.000 0.236 80 V C 0.478 176.481 176.094 -0.152 0.000 1.062 80 V CA 0.477 62.719 62.300 -0.096 0.000 1.081 80 V CB 0.233 32.031 31.823 -0.042 0.000 0.751 80 V HN 0.211 nan 8.190 nan 0.000 0.484 81 L N 0.476 121.601 121.223 -0.163 0.000 2.376 81 L HA 0.765 5.105 4.340 -0.000 0.000 0.275 81 L C 0.134 176.822 176.870 -0.304 0.000 0.987 81 L CA -0.479 54.255 54.840 -0.177 0.000 0.828 81 L CB 0.848 42.871 42.059 -0.060 0.000 1.249 81 L HN 0.218 nan 8.230 nan 0.000 0.409 82 A N 3.722 126.205 122.820 -0.561 0.000 2.292 82 A HA 0.696 5.015 4.320 -0.000 0.000 0.265 82 A C -1.199 176.199 177.584 -0.310 0.000 1.133 82 A CA 0.139 51.558 52.037 -1.030 0.000 0.807 82 A CB 0.335 18.646 19.000 -1.149 0.000 1.102 82 A HN 0.704 nan 8.150 nan 0.000 0.502 83 Y N -4.047 116.259 120.300 0.010 0.000 2.558 83 Y HA 0.499 5.049 4.550 -0.000 0.000 0.333 83 Y C 0.283 176.324 175.900 0.236 0.000 1.125 83 Y CA -0.860 57.316 58.100 0.127 0.000 1.039 83 Y CB 0.636 39.179 38.460 0.138 0.000 1.331 83 Y HN 0.697 nan 8.280 nan 0.000 0.456 84 E N 1.110 121.490 120.200 0.300 0.000 2.110 84 E HA -0.107 4.242 4.350 -0.000 0.000 0.193 84 E C -1.125 175.625 176.600 0.251 0.000 0.988 84 E CA 1.682 58.217 56.400 0.225 0.000 0.804 84 E CB -0.880 28.910 29.700 0.150 0.000 0.745 84 E HN 0.589 nan 8.360 nan 0.000 0.458 85 P HA -0.200 nan 4.420 nan 0.000 0.216 85 P C 1.014 178.470 177.300 0.261 0.000 1.150 85 P CA 1.126 64.379 63.100 0.254 0.000 0.837 85 P CB -0.104 31.748 31.700 0.253 0.000 0.786 86 Y N 0.038 120.444 120.300 0.177 0.000 2.114 86 Y HA -0.215 4.335 4.550 -0.000 0.000 0.284 86 Y C 2.178 178.012 175.900 -0.111 0.000 1.143 86 Y CA 0.811 58.872 58.100 -0.066 0.000 1.135 86 Y CB -0.741 37.441 38.460 -0.465 0.000 0.980 86 Y HN -0.204 nan 8.280 nan 0.000 0.499 87 L N 1.080 122.469 121.223 0.277 0.000 2.012 87 L HA -0.232 4.108 4.340 -0.000 0.000 0.210 87 L C 2.301 179.245 176.870 0.122 0.000 1.073 87 L CA 2.479 57.436 54.840 0.195 0.000 0.748 87 L CB -1.034 41.133 42.059 0.180 0.000 0.891 87 L HN 0.428 nan 8.230 nan 0.000 0.431 88 E N -0.712 119.555 120.200 0.112 0.000 2.110 88 E HA -0.240 4.109 4.350 -0.000 0.000 0.193 88 E C 2.306 178.930 176.600 0.038 0.000 0.988 88 E CA 1.305 57.746 56.400 0.069 0.000 0.804 88 E CB -0.227 29.515 29.700 0.070 0.000 0.745 88 E HN 0.612 nan 8.360 nan 0.000 0.458 89 L N 0.410 121.653 121.223 0.033 0.000 2.056 89 L HA -0.201 4.139 4.340 -0.000 0.000 0.207 89 L C 2.434 179.288 176.870 -0.027 0.000 1.078 89 L CA 1.302 56.135 54.840 -0.011 0.000 0.749 89 L CB -0.354 41.688 42.059 -0.027 0.000 0.901 89 L HN 0.440 nan 8.230 nan 0.000 0.433 90 C N 0.172 119.466 119.300 -0.010 0.000 2.413 90 C HA -0.179 4.280 4.460 -0.000 0.000 0.276 90 C C 2.497 177.491 174.990 0.006 0.000 1.236 90 C CA 0.830 59.851 59.018 0.006 0.000 1.735 90 C CB -0.872 26.897 27.740 0.047 0.000 2.031 90 C HN 0.545 nan 8.230 nan 0.000 0.474 91 E N 0.617 120.827 120.200 0.017 0.000 2.058 91 E HA -0.193 4.156 4.350 -0.000 0.000 0.194 91 E C 1.932 178.522 176.600 -0.017 0.000 0.997 91 E CA 1.336 57.741 56.400 0.008 0.000 0.801 91 E CB -0.200 29.512 29.700 0.019 0.000 0.746 91 E HN 0.656 nan 8.360 nan 0.000 0.450 92 I N 0.544 121.098 120.570 -0.026 0.000 2.252 92 I HA -0.257 3.913 4.170 -0.000 0.000 0.245 92 I C 2.331 178.401 176.117 -0.080 0.000 1.102 92 I CA 0.670 61.942 61.300 -0.047 0.000 1.385 92 I CB -0.167 37.805 38.000 -0.047 0.000 1.064 92 I HN 0.172 nan 8.210 nan 0.000 0.414 93 M N 0.293 119.830 119.600 -0.106 0.000 2.175 93 M HA -0.146 4.334 4.480 -0.000 0.000 0.264 93 M C 1.955 178.178 176.300 -0.128 0.000 1.063 93 M CA 1.513 56.712 55.300 -0.169 0.000 1.119 93 M CB -1.549 30.907 32.600 -0.239 0.000 1.377 93 M HN 0.258 nan 8.290 nan 0.000 0.415 94 N N 1.159 119.814 118.700 -0.075 0.000 2.149 94 N HA -0.202 4.538 4.740 -0.000 0.000 0.188 94 N C 1.716 177.171 175.510 -0.091 0.000 1.019 94 N CA 1.487 54.498 53.050 -0.065 0.000 0.857 94 N CB -0.418 38.054 38.487 -0.025 0.000 0.997 94 N HN 0.673 nan 8.380 nan 0.000 0.426 95 Q N 0.181 119.934 119.800 -0.079 0.000 2.269 95 Q HA 0.084 4.423 4.340 -0.000 0.000 0.201 95 Q C 1.249 177.193 176.000 -0.093 0.000 0.946 95 Q CA 0.732 56.486 55.803 -0.082 0.000 0.877 95 Q CB 0.079 28.783 28.738 -0.056 0.000 0.963 95 Q HN 0.144 nan 8.270 nan 0.000 0.472 96 K N 0.696 121.043 120.400 -0.089 0.000 2.284 96 K HA 0.167 4.487 4.320 -0.000 0.000 0.198 96 K C 0.352 176.917 176.600 -0.057 0.000 1.048 96 K CA 0.132 56.383 56.287 -0.060 0.000 0.987 96 K CB 0.656 33.133 32.500 -0.037 0.000 0.800 96 K HN 0.021 nan 8.250 nan 0.000 0.486 97 V N 5.368 125.182 119.914 -0.168 0.000 2.655 97 V HA 0.023 4.142 4.120 -0.000 0.000 0.300 97 V C -2.054 173.898 176.094 -0.236 0.000 1.044 97 V CA -1.375 60.725 62.300 -0.332 0.000 1.095 97 V CB 0.600 32.144 31.823 -0.465 0.000 0.952 97 V HN 0.158 nan 8.190 nan 0.000 0.485 98 P HA 0.320 nan 4.420 nan 0.000 0.268 98 P C 0.005 177.133 177.300 -0.286 0.000 1.205 98 P CA 0.346 63.344 63.100 -0.170 0.000 0.771 98 P CB 0.878 32.532 31.700 -0.077 0.000 0.858 99 G N 1.772 110.320 108.800 -0.421 0.000 2.163 99 G HA2 0.049 4.009 3.960 -0.000 0.000 0.191 99 G HA3 0.049 4.009 3.960 -0.000 0.000 0.191 99 G C -1.187 173.087 174.900 -1.043 0.000 1.517 99 G CA -0.723 43.799 45.100 -0.964 0.000 1.024 99 G HN 0.546 nan 8.290 nan 0.000 0.664 100 D N 1.641 121.668 120.400 -0.621 0.000 2.713 100 D HA 0.559 5.199 4.640 -0.000 0.000 0.229 100 D C 0.198 176.443 176.300 -0.092 0.000 1.136 100 D CA 0.021 53.856 54.000 -0.275 0.000 1.010 100 D CB -0.726 40.031 40.800 -0.071 0.000 1.084 100 D HN 0.549 nan 8.370 nan 0.000 0.495 101 F N -0.917 119.023 119.950 -0.016 0.000 2.807 101 F HA 0.627 5.154 4.527 -0.000 0.000 0.316 101 F C -0.791 175.000 175.800 -0.015 0.000 1.162 101 F CA -1.924 56.067 58.000 -0.014 0.000 0.910 101 F CB 0.172 39.164 39.000 -0.014 0.000 1.314 101 F HN -0.052 nan 8.300 nan 0.000 0.454 102 A N 1.596 124.568 122.820 0.254 0.000 2.477 102 A HA 0.593 4.913 4.320 -0.000 0.000 0.246 102 A C -0.380 177.331 177.584 0.212 0.000 1.078 102 A CA -0.270 51.856 52.037 0.148 0.000 0.770 102 A CB 0.033 19.096 19.000 0.104 0.000 1.011 102 A HN 0.696 nan 8.150 nan 0.000 0.494 103 K N 1.589 122.054 120.400 0.108 0.000 2.395 103 K HA 0.599 4.919 4.320 -0.000 0.000 0.247 103 K C -0.884 175.754 176.600 0.064 0.000 0.973 103 K CA -0.769 55.583 56.287 0.108 0.000 0.828 103 K CB 2.430 34.958 32.500 0.045 0.000 1.272 103 K HN 0.695 nan 8.250 nan 0.000 0.439 104 K N 0.490 120.928 120.400 0.064 0.000 2.395 104 K HA 0.487 4.807 4.320 -0.000 0.000 0.247 104 K C -1.099 175.535 176.600 0.057 0.000 0.973 104 K CA -0.784 55.535 56.287 0.054 0.000 0.828 104 K CB 2.397 34.928 32.500 0.052 0.000 1.272 104 K HN 0.436 nan 8.250 nan 0.000 0.439 105 T N 1.626 116.217 114.554 0.062 0.000 2.861 105 T HA 0.385 4.735 4.350 -0.000 0.000 0.287 105 T C -1.476 173.260 174.700 0.060 0.000 1.003 105 T CA -0.670 61.476 62.100 0.077 0.000 0.977 105 T CB 1.111 70.037 68.868 0.096 0.000 0.996 105 T HN 0.333 nan 8.240 nan 0.000 0.448 106 L N 4.271 125.511 121.223 0.029 0.000 2.307 106 L HA 0.699 5.039 4.340 -0.000 0.000 0.284 106 L C -1.429 175.380 176.870 -0.103 0.000 1.023 106 L CA -0.507 54.339 54.840 0.009 0.000 0.810 106 L CB 0.715 42.775 42.059 0.001 0.000 1.231 106 L HN 0.585 nan 8.230 nan 0.000 0.423 107 L N 6.017 127.119 121.223 -0.201 0.000 2.317 107 L HA 0.733 5.073 4.340 -0.000 0.000 0.281 107 L C 0.130 176.916 176.870 -0.139 0.000 1.024 107 L CA -0.744 53.897 54.840 -0.333 0.000 0.810 107 L CB 1.626 43.215 42.059 -0.783 0.000 1.240 107 L HN 0.686 nan 8.230 nan 0.000 0.427 108 V N -0.498 119.344 119.914 -0.121 0.000 5.412 108 V HA 0.574 4.694 4.120 -0.000 0.000 0.289 108 V C 0.261 176.362 176.094 0.011 0.000 1.523 108 V CA -0.124 62.166 62.300 -0.017 0.000 0.771 108 V CB 1.467 33.274 31.823 -0.027 0.000 1.379 108 V HN 0.723 nan 8.190 nan 0.000 0.431 109 T N 0.384 114.962 114.554 0.039 0.000 3.115 109 T HA 0.269 4.619 4.350 -0.000 0.000 0.256 109 T C 0.636 175.360 174.700 0.040 0.000 0.970 109 T CA 0.890 63.031 62.100 0.068 0.000 1.010 109 T CB 0.252 69.207 68.868 0.144 0.000 1.151 109 T HN 1.085 nan 8.240 nan 0.000 0.479 110 T N -0.810 113.763 114.554 0.031 0.000 2.932 110 T HA 0.628 4.977 4.350 -0.000 0.000 0.289 110 T C 1.572 176.273 174.700 0.002 0.000 1.039 110 T CA -0.031 62.085 62.100 0.026 0.000 1.024 110 T CB 1.671 70.564 68.868 0.043 0.000 1.090 110 T HN 0.064 nan 8.240 nan 0.000 0.496 111 G N 0.854 109.664 108.800 0.017 0.000 2.442 111 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.219 111 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.219 111 G C 1.576 176.489 174.900 0.022 0.000 1.141 111 G CA 0.916 46.026 45.100 0.018 0.000 0.763 111 G HN 0.721 nan 8.290 nan 0.000 0.554 112 S N 0.492 116.210 115.700 0.030 0.000 2.368 112 S HA -0.088 4.381 4.470 -0.000 0.000 0.225 112 S C 2.117 176.729 174.600 0.020 0.000 1.030 112 S CA 1.344 59.559 58.200 0.025 0.000 0.999 112 S CB -0.215 62.999 63.200 0.024 0.000 0.844 112 S HN 0.585 nan 8.310 nan 0.000 0.459 113 E N 1.141 121.349 120.200 0.013 0.000 2.106 113 E HA -0.074 4.276 4.350 -0.000 0.000 0.192 113 E C 2.351 178.933 176.600 -0.030 0.000 0.984 113 E CA 0.873 57.274 56.400 0.001 0.000 0.806 113 E CB -0.229 29.477 29.700 0.009 0.000 0.750 113 E HN 0.513 nan 8.360 nan 0.000 0.458 114 A N 0.923 123.710 122.820 -0.056 0.000 1.877 114 A HA -0.148 4.172 4.320 -0.000 0.000 0.216 114 A C 2.498 180.048 177.584 -0.058 0.000 1.186 114 A CA 1.215 53.190 52.037 -0.103 0.000 0.620 114 A CB -0.677 18.221 19.000 -0.170 0.000 0.822 114 A HN 0.114 nan 8.150 nan 0.000 0.443 115 V N 0.377 120.281 119.914 -0.017 0.000 2.343 115 V HA -0.233 3.887 4.120 -0.000 0.000 0.247 115 V C 2.524 178.615 176.094 -0.005 0.000 1.051 115 V CA 2.072 64.371 62.300 -0.001 0.000 1.036 115 V CB -0.813 31.029 31.823 0.031 0.000 0.654 115 V HN 0.530 nan 8.190 nan 0.000 0.451 116 E N 0.644 120.845 120.200 0.001 0.000 2.070 116 E HA -0.256 4.094 4.350 -0.000 0.000 0.197 116 E C 2.034 178.593 176.600 -0.068 0.000 1.004 116 E CA 1.882 58.266 56.400 -0.027 0.000 0.805 116 E CB -0.421 29.271 29.700 -0.014 0.000 0.744 116 E HN 0.703 nan 8.360 nan 0.000 0.451 117 N N 0.525 119.194 118.700 -0.051 0.000 2.270 117 N HA -0.082 4.658 4.740 -0.000 0.000 0.181 117 N C 1.719 177.199 175.510 -0.050 0.000 1.016 117 N CA 1.143 54.161 53.050 -0.053 0.000 0.870 117 N CB -0.108 38.352 38.487 -0.045 0.000 0.979 117 N HN 0.133 nan 8.380 nan 0.000 0.431 118 A N 0.328 123.121 122.820 -0.045 0.000 1.902 118 A HA -0.092 4.228 4.320 -0.000 0.000 0.217 118 A C 2.270 179.836 177.584 -0.031 0.000 1.181 118 A CA 1.201 53.220 52.037 -0.031 0.000 0.623 118 A CB -0.759 18.228 19.000 -0.021 0.000 0.818 118 A HN 0.113 nan 8.150 nan 0.000 0.443 119 V N -0.088 119.799 119.914 -0.045 0.000 2.358 119 V HA -0.248 3.872 4.120 -0.000 0.000 0.246 119 V C 2.437 178.477 176.094 -0.090 0.000 1.047 119 V CA 2.319 64.585 62.300 -0.056 0.000 1.035 119 V CB -0.650 31.124 31.823 -0.081 0.000 0.658 119 V HN 0.541 nan 8.190 nan 0.000 0.452 120 K N -0.134 120.197 120.400 -0.115 0.000 2.063 120 K HA -0.130 4.190 4.320 -0.000 0.000 0.208 120 K C 2.021 178.585 176.600 -0.060 0.000 1.048 120 K CA 1.672 57.896 56.287 -0.104 0.000 0.928 120 K CB -0.315 32.129 32.500 -0.094 0.000 0.713 120 K HN 0.378 nan 8.250 nan 0.000 0.442 121 I N 0.751 121.294 120.570 -0.044 0.000 2.179 121 I HA -0.286 3.883 4.170 -0.000 0.000 0.242 121 I C 2.443 178.547 176.117 -0.023 0.000 1.088 121 I CA 1.145 62.429 61.300 -0.027 0.000 1.357 121 I CB -0.334 37.655 38.000 -0.018 0.000 1.051 121 I HN 0.174 nan 8.210 nan 0.000 0.409 122 A N 0.742 123.550 122.820 -0.020 0.000 1.933 122 A HA -0.206 4.114 4.320 -0.000 0.000 0.218 122 A C 2.380 179.956 177.584 -0.012 0.000 1.175 122 A CA 1.490 53.521 52.037 -0.010 0.000 0.628 122 A CB -0.546 18.456 19.000 0.003 0.000 0.814 122 A HN 0.316 nan 8.150 nan 0.000 0.444 123 R N -0.619 119.868 120.500 -0.022 0.000 2.081 123 R HA -0.062 4.278 4.340 -0.000 0.000 0.235 123 R C 2.464 178.751 176.300 -0.022 0.000 1.131 123 R CA 1.243 57.331 56.100 -0.021 0.000 0.960 123 R CB -0.431 29.846 30.300 -0.039 0.000 0.856 123 R HN 0.506 nan 8.270 nan 0.000 0.436 124 A N 0.961 123.766 122.820 -0.026 0.000 1.969 124 A HA -0.033 4.287 4.320 -0.000 0.000 0.218 124 A C 2.289 179.861 177.584 -0.019 0.000 1.169 124 A CA 1.501 53.525 52.037 -0.022 0.000 0.635 124 A CB -0.442 18.545 19.000 -0.022 0.000 0.810 124 A HN 0.392 nan 8.150 nan 0.000 0.445 125 A N -0.398 122.411 122.820 -0.019 0.000 1.929 125 A HA -0.028 4.292 4.320 -0.000 0.000 0.216 125 A C 2.336 179.907 177.584 -0.021 0.000 1.176 125 A CA 2.229 54.254 52.037 -0.020 0.000 0.628 125 A CB -0.974 18.013 19.000 -0.022 0.000 0.816 125 A HN 0.727 nan 8.150 nan 0.000 0.444 126 T N -4.163 110.381 114.554 -0.018 0.000 3.065 126 T HA 0.160 4.510 4.350 -0.000 0.000 0.252 126 T C 0.587 175.276 174.700 -0.018 0.000 1.099 126 T CA 0.574 62.664 62.100 -0.017 0.000 1.063 126 T CB -0.275 68.587 68.868 -0.010 0.000 0.948 126 T HN 0.450 nan 8.240 nan 0.000 0.506 127 K N 1.138 121.528 120.400 -0.017 0.000 3.096 127 K HA -0.157 4.163 4.320 -0.000 0.000 0.266 127 K C -0.454 176.136 176.600 -0.016 0.000 1.043 127 K CA 0.435 56.712 56.287 -0.017 0.000 0.758 127 K CB -1.273 31.216 32.500 -0.018 0.000 1.260 127 K HN 0.589 nan 8.250 nan 0.000 0.481 128 R N -1.126 119.367 120.500 -0.012 0.000 2.837 128 R HA 0.388 4.728 4.340 -0.000 0.000 0.271 128 R C 0.434 176.736 176.300 0.003 0.000 0.993 128 R CA -0.773 55.322 56.100 -0.009 0.000 0.931 128 R CB 1.585 31.882 30.300 -0.005 0.000 1.206 128 R HN -0.051 nan 8.270 nan 0.000 0.474 129 S N -0.490 115.216 115.700 0.010 0.000 2.520 129 S HA 0.159 4.629 4.470 -0.000 0.000 0.219 129 S C 0.575 175.235 174.600 0.101 0.000 1.028 129 S CA -0.147 58.074 58.200 0.036 0.000 0.921 129 S CB 1.074 64.287 63.200 0.022 0.000 0.844 129 S HN 0.731 nan 8.310 nan 0.000 0.495 130 G N 1.888 110.756 108.800 0.114 0.000 2.476 130 G HA2 0.527 4.487 3.960 -0.000 0.000 0.286 130 G HA3 0.527 4.487 3.960 -0.000 0.000 0.286 130 G C -0.291 174.744 174.900 0.225 0.000 1.177 130 G CA -0.217 45.024 45.100 0.235 0.000 0.870 130 G HN 0.286 nan 8.290 nan 0.000 0.528 131 T N -2.090 112.629 114.554 0.274 0.000 2.883 131 T HA 0.702 5.052 4.350 -0.000 0.000 0.296 131 T C -0.612 174.204 174.700 0.192 0.000 1.117 131 T CA -0.755 61.466 62.100 0.201 0.000 1.006 131 T CB 1.772 70.757 68.868 0.196 0.000 1.191 131 T HN 0.369 nan 8.240 nan 0.000 0.508 132 I N 1.129 121.760 120.570 0.101 0.000 2.465 132 I HA 0.716 4.886 4.170 -0.000 0.000 0.291 132 I C 0.030 176.112 176.117 -0.058 0.000 1.014 132 I CA -1.015 60.288 61.300 0.005 0.000 1.093 132 I CB 1.835 39.783 38.000 -0.087 0.000 1.267 132 I HN 1.069 nan 8.210 nan 0.000 0.431 133 A N 5.317 128.073 122.820 -0.108 0.000 2.486 133 A HA 0.887 5.207 4.320 -0.000 0.000 0.289 133 A C -1.433 176.068 177.584 -0.139 0.000 1.176 133 A CA -0.418 51.627 52.037 0.012 0.000 0.757 133 A CB 1.178 20.244 19.000 0.109 0.000 1.337 133 A HN 0.474 nan 8.150 nan 0.000 0.423 134 F N 0.456 120.528 119.950 0.204 0.000 2.497 134 F HA 0.501 5.028 4.527 -0.000 0.000 0.331 134 F C 1.310 177.194 175.800 0.141 0.000 1.060 134 F CA -0.103 58.018 58.000 0.202 0.000 0.989 134 F CB 1.722 40.938 39.000 0.360 0.000 1.245 134 F HN 0.576 nan 8.300 nan 0.000 0.486 135 S N 0.170 116.053 115.700 0.306 0.000 2.549 135 S HA 0.393 4.863 4.470 -0.000 0.000 0.286 135 S C 0.997 175.680 174.600 0.139 0.000 1.314 135 S CA -0.086 58.215 58.200 0.168 0.000 1.062 135 S CB 0.530 63.812 63.200 0.136 0.000 0.865 135 S HN 1.513 nan 8.310 nan 0.000 0.498 136 G N 1.276 110.114 108.800 0.063 0.000 2.189 136 G HA2 -0.108 3.852 3.960 -0.000 0.000 0.267 136 G HA3 -0.108 3.852 3.960 -0.000 0.000 0.267 136 G C 0.408 175.316 174.900 0.012 0.000 0.975 136 G CA 0.169 45.281 45.100 0.020 0.000 0.644 136 G HN 1.630 nan 8.290 nan 0.000 0.537 137 A N -0.708 122.133 122.820 0.036 0.000 2.386 137 A HA 0.608 4.928 4.320 -0.000 0.000 0.246 137 A C -0.272 177.238 177.584 -0.124 0.000 1.089 137 A CA 0.654 52.654 52.037 -0.060 0.000 0.790 137 A CB 0.529 19.579 19.000 0.083 0.000 1.042 137 A HN 1.551 nan 8.150 nan 0.000 0.497 138 Y N -0.501 119.508 120.300 -0.486 0.000 2.354 138 Y HA 0.513 5.063 4.550 -0.000 0.000 0.330 138 Y C -0.010 175.534 175.900 -0.594 0.000 1.011 138 Y CA -0.318 57.530 58.100 -0.420 0.000 1.099 138 Y CB 1.646 39.926 38.460 -0.300 0.000 1.179 138 Y HN 0.844 nan 8.280 nan 0.000 0.442 139 H N 3.046 121.772 119.070 -0.573 0.000 3.398 139 H HA 0.555 5.111 4.556 -0.000 0.000 0.260 139 H C 0.456 175.561 175.328 -0.372 0.000 1.189 139 H CA 0.099 55.968 56.048 -0.298 0.000 1.145 139 H CB 1.393 31.076 29.762 -0.131 0.000 1.599 139 H HN 0.894 nan 8.280 nan 0.000 0.615 140 G N 0.381 108.746 108.800 -0.726 0.000 2.353 140 G HA2 -0.073 3.887 3.960 -0.000 0.000 0.424 140 G HA3 -0.073 3.887 3.960 -0.000 0.000 0.424 140 G C -0.685 174.007 174.900 -0.348 0.000 1.320 140 G CA -1.043 43.837 45.100 -0.367 0.000 0.995 140 G HN 0.181 nan 8.290 nan 0.000 0.580 141 R N -0.207 120.214 120.500 -0.131 0.000 2.509 141 R HA 0.274 4.614 4.340 -0.000 0.000 0.300 141 R C 1.159 177.437 176.300 -0.037 0.000 0.985 141 R CA 0.509 56.565 56.100 -0.073 0.000 1.092 141 R CB 0.664 30.965 30.300 0.002 0.000 1.237 141 R HN 0.781 nan 8.270 nan 0.000 0.546 142 T N -3.038 111.512 114.554 -0.007 0.000 2.847 142 T HA 0.115 4.465 4.350 -0.000 0.000 0.279 142 T C 1.000 175.732 174.700 0.054 0.000 0.984 142 T CA -0.496 61.637 62.100 0.054 0.000 0.988 142 T CB 1.173 70.099 68.868 0.096 0.000 1.040 142 T HN 0.093 nan 8.240 nan 0.000 0.528 143 H N -0.652 118.442 119.070 0.041 0.000 2.289 143 H HA -0.069 4.487 4.556 -0.000 0.000 0.296 143 H C 1.686 177.033 175.328 0.032 0.000 1.091 143 H CA 2.705 58.773 56.048 0.033 0.000 1.274 143 H CB -0.503 29.286 29.762 0.045 0.000 1.364 143 H HN 0.756 nan 8.280 nan 0.000 0.490 144 Y N 1.015 121.377 120.300 0.103 0.000 2.242 144 Y HA -0.220 4.330 4.550 -0.000 0.000 0.291 144 Y C 2.616 178.513 175.900 -0.006 0.000 1.137 144 Y CA 1.731 59.851 58.100 0.034 0.000 1.181 144 Y CB -0.233 38.238 38.460 0.019 0.000 0.989 144 Y HN 0.349 nan 8.280 nan 0.000 0.527 145 T N -1.930 112.687 114.554 0.104 0.000 2.995 145 T HA -0.116 4.234 4.350 -0.000 0.000 0.269 145 T C 1.877 176.505 174.700 -0.121 0.000 1.091 145 T CA 1.147 63.246 62.100 -0.001 0.000 1.128 145 T CB -0.615 68.254 68.868 0.002 0.000 0.891 145 T HN 0.358 nan 8.240 nan 0.000 0.492 146 L N 0.563 121.715 121.223 -0.118 0.000 2.156 146 L HA 0.117 4.457 4.340 -0.000 0.000 0.208 146 L C 3.203 179.996 176.870 -0.128 0.000 1.095 146 L CA 1.001 55.762 54.840 -0.132 0.000 0.770 146 L CB -0.608 41.389 42.059 -0.103 0.000 0.914 146 L HN 0.372 nan 8.230 nan 0.000 0.439 147 A N 0.085 122.795 122.820 -0.183 0.000 1.898 147 A HA -0.128 4.192 4.320 -0.000 0.000 0.216 147 A C 2.204 179.655 177.584 -0.221 0.000 1.181 147 A CA 1.162 53.057 52.037 -0.236 0.000 0.620 147 A CB -0.552 18.214 19.000 -0.390 0.000 0.819 147 A HN 0.341 nan 8.150 nan 0.000 0.442 148 L N -0.218 120.867 121.223 -0.231 0.000 2.093 148 L HA -0.072 4.268 4.340 -0.000 0.000 0.208 148 L C 0.823 177.743 176.870 0.083 0.000 1.085 148 L CA 0.589 55.385 54.840 -0.074 0.000 0.755 148 L CB -0.850 41.185 42.059 -0.039 0.000 0.904 148 L HN 0.182 nan 8.230 nan 0.000 0.435 149 T N 0.613 115.159 114.554 -0.014 0.000 2.867 149 T HA 0.136 4.486 4.350 -0.000 0.000 0.297 149 T C 0.835 175.538 174.700 0.004 0.000 0.989 149 T CA 0.098 62.152 62.100 -0.076 0.000 1.159 149 T CB 0.945 69.656 68.868 -0.262 0.000 0.928 149 T HN 0.363 nan 8.240 nan 0.000 0.538 150 G N 3.222 112.046 108.800 0.040 0.000 3.717 150 G HA2 0.418 4.378 3.960 -0.000 0.000 0.258 150 G HA3 0.418 4.378 3.960 -0.000 0.000 0.258 150 G C -0.034 174.905 174.900 0.065 0.000 1.088 150 G CA -0.321 44.810 45.100 0.052 0.000 1.737 150 G HN 0.620 nan 8.290 nan 0.000 0.648 151 K N 0.551 121.012 120.400 0.101 0.000 2.592 151 K HA 0.246 4.566 4.320 -0.000 0.000 0.265 151 K C 0.081 176.760 176.600 0.131 0.000 1.006 151 K CA -0.652 55.707 56.287 0.120 0.000 0.907 151 K CB 1.266 33.916 32.500 0.249 0.000 1.309 151 K HN -0.098 nan 8.250 nan 0.000 0.452 152 V N 1.966 121.901 119.914 0.035 0.000 2.500 152 V HA 0.027 4.147 4.120 -0.000 0.000 0.243 152 V C 0.580 176.657 176.094 -0.029 0.000 1.039 152 V CA 0.836 63.146 62.300 0.016 0.000 1.053 152 V CB -0.266 31.554 31.823 -0.005 0.000 0.695 152 V HN 0.735 nan 8.190 nan 0.000 0.463 153 N N 1.108 119.761 118.700 -0.078 0.000 2.426 153 N HA 0.248 4.988 4.740 -0.000 0.000 0.275 153 N C -1.687 173.644 175.510 -0.299 0.000 1.019 153 N CA -1.904 51.066 53.050 -0.134 0.000 0.941 153 N CB 1.984 40.429 38.487 -0.070 0.000 1.123 153 N HN 0.023 nan 8.380 nan 0.000 0.486 154 P HA 0.035 nan 4.420 nan 0.000 0.259 154 P C 0.607 177.810 177.300 -0.162 0.000 1.233 154 P CA 0.417 63.362 63.100 -0.260 0.000 0.827 154 P CB 0.159 31.724 31.700 -0.225 0.000 1.154 155 Y N 2.185 122.508 120.300 0.039 0.000 2.132 155 Y HA -0.229 4.321 4.550 -0.000 0.000 0.280 155 Y C 1.965 177.856 175.900 -0.015 0.000 1.193 155 Y CA 1.440 59.563 58.100 0.038 0.000 1.157 155 Y CB -0.831 37.674 38.460 0.076 0.000 0.966 155 Y HN 0.142 nan 8.280 nan 0.000 0.511 156 S N -1.638 114.118 115.700 0.093 0.000 2.952 156 S HA 0.600 5.070 4.470 -0.000 0.000 0.251 156 S C 0.205 174.797 174.600 -0.012 0.000 1.021 156 S CA -0.365 57.843 58.200 0.013 0.000 1.067 156 S CB -0.006 63.186 63.200 -0.013 0.000 1.002 156 S HN 0.317 nan 8.310 nan 0.000 0.574 157 A N 1.066 123.876 122.820 -0.017 0.000 2.498 157 A HA 0.573 4.892 4.320 -0.000 0.000 0.239 157 A C 1.622 179.193 177.584 -0.021 0.000 1.068 157 A CA 0.446 52.467 52.037 -0.027 0.000 0.766 157 A CB -0.904 18.070 19.000 -0.043 0.000 1.003 157 A HN 1.688 nan 8.150 nan 0.000 0.497 158 G N 1.210 109.999 108.800 -0.018 0.000 2.220 158 G HA2 -0.326 3.634 3.960 -0.000 0.000 0.269 158 G HA3 -0.326 3.634 3.960 -0.000 0.000 0.269 158 G C 0.712 175.607 174.900 -0.008 0.000 0.977 158 G CA 1.063 46.156 45.100 -0.012 0.000 0.634 158 G HN 0.717 nan 8.290 nan 0.000 0.539 159 M N 0.545 120.138 119.600 -0.012 0.000 2.495 159 M HA 0.427 4.907 4.480 -0.000 0.000 0.237 159 M C 1.491 177.795 176.300 0.007 0.000 1.131 159 M CA 1.181 56.477 55.300 -0.006 0.000 1.032 159 M CB 0.401 32.983 32.600 -0.030 0.000 1.513 159 M HN 1.365 nan 8.290 nan 0.000 0.488 160 G N 1.062 109.862 108.800 0.001 0.000 2.728 160 G HA2 -0.199 3.760 3.960 -0.000 0.000 0.294 160 G HA3 -0.199 3.760 3.960 -0.000 0.000 0.294 160 G C -0.727 174.173 174.900 -0.000 0.000 1.342 160 G CA -1.109 43.993 45.100 0.004 0.000 0.866 160 G HN 0.208 nan 8.290 nan 0.000 0.534 161 L N 0.760 121.981 121.223 -0.003 0.000 2.410 161 L HA 0.306 4.645 4.340 -0.000 0.000 0.273 161 L C 1.426 178.295 176.870 -0.003 0.000 1.152 161 L CA -0.620 54.210 54.840 -0.016 0.000 0.855 161 L CB 0.593 42.634 42.059 -0.030 0.000 1.129 161 L HN 0.518 nan 8.230 nan 0.000 0.463 162 M N 3.132 122.719 119.600 -0.022 0.000 2.114 162 M HA 0.313 4.793 4.480 -0.000 0.000 0.293 162 M C -1.866 174.411 176.300 -0.037 0.000 1.201 162 M CA -2.084 53.214 55.300 -0.004 0.000 1.107 162 M CB -0.682 31.887 32.600 -0.052 0.000 1.405 162 M HN 0.246 nan 8.290 nan 0.000 0.486 163 P HA 0.035 nan 4.420 nan 0.000 0.264 163 P C -0.015 177.190 177.300 -0.158 0.000 1.179 163 P CA 0.314 63.382 63.100 -0.053 0.000 0.763 163 P CB 0.207 31.931 31.700 0.040 0.000 0.806 164 G N 1.204 109.882 108.800 -0.203 0.000 2.543 164 G HA2 0.245 4.205 3.960 -0.000 0.000 0.290 164 G HA3 0.245 4.205 3.960 -0.000 0.000 0.290 164 G C -0.376 174.335 174.900 -0.316 0.000 1.310 164 G CA -0.290 44.606 45.100 -0.341 0.000 1.025 164 G HN 0.703 nan 8.290 nan 0.000 0.502 165 H N -3.085 115.827 119.070 -0.264 0.000 2.936 165 H HA -0.148 4.408 4.556 -0.000 0.000 0.276 165 H C -0.334 174.755 175.328 -0.398 0.000 1.216 165 H CA 0.539 56.415 56.048 -0.286 0.000 1.132 165 H CB -2.205 27.585 29.762 0.046 0.000 1.303 165 H HN 0.279 nan 8.280 nan 0.000 0.370 166 V N 1.412 121.005 119.914 -0.534 0.000 2.444 166 V HA 0.392 4.512 4.120 -0.000 0.000 0.294 166 V C -0.007 175.734 176.094 -0.590 0.000 1.022 166 V CA -0.712 61.356 62.300 -0.386 0.000 0.850 166 V CB 1.376 32.993 31.823 -0.344 0.000 0.992 166 V HN 0.163 nan 8.190 nan 0.000 0.426 167 Y N 3.184 123.460 120.300 -0.040 0.000 2.457 167 Y HA 0.746 5.295 4.550 -0.000 0.000 0.333 167 Y C 0.311 176.141 175.900 -0.117 0.000 1.119 167 Y CA -0.975 57.086 58.100 -0.064 0.000 1.143 167 Y CB 1.401 39.825 38.460 -0.059 0.000 1.230 167 Y HN 0.500 nan 8.280 nan 0.000 0.469 168 R N 1.671 122.177 120.500 0.010 0.000 2.265 168 R HA 0.767 5.107 4.340 -0.000 0.000 0.328 168 R C -1.054 175.174 176.300 -0.119 0.000 0.969 168 R CA -0.301 55.759 56.100 -0.066 0.000 0.832 168 R CB 0.425 30.706 30.300 -0.031 0.000 1.139 168 R HN 0.814 nan 8.270 nan 0.000 0.457 169 A N 4.410 127.066 122.820 -0.272 0.000 2.269 169 A HA 0.626 4.946 4.320 -0.000 0.000 0.327 169 A C -0.871 176.681 177.584 -0.054 0.000 1.112 169 A CA -0.813 51.050 52.037 -0.289 0.000 0.865 169 A CB 0.820 19.410 19.000 -0.684 0.000 1.227 169 A HN 0.665 nan 8.150 nan 0.000 0.498 170 L N 0.805 122.089 121.223 0.102 0.000 2.289 170 L HA 0.283 4.623 4.340 -0.000 0.000 0.285 170 L C -0.703 176.409 176.870 0.404 0.000 1.049 170 L CA -0.399 54.569 54.840 0.214 0.000 0.804 170 L CB 0.826 42.952 42.059 0.113 0.000 1.195 170 L HN 0.756 nan 8.230 nan 0.000 0.428 171 Y N 5.866 126.322 120.300 0.260 0.000 2.377 171 Y HA 0.200 4.750 4.550 -0.000 0.000 0.330 171 Y C -1.797 174.003 175.900 -0.167 0.000 1.108 171 Y CA -1.702 56.418 58.100 0.033 0.000 1.308 171 Y CB 0.867 39.325 38.460 -0.003 0.000 1.216 171 Y HN 0.349 nan 8.280 nan 0.000 0.518 172 P HA 0.026 nan 4.420 nan 0.000 0.267 172 P C -0.895 176.265 177.300 -0.234 0.000 1.205 172 P CA 0.066 62.865 63.100 -0.501 0.000 0.765 172 P CB 0.801 31.936 31.700 -0.941 0.000 0.828 173 C N 6.086 125.299 119.300 -0.146 0.000 3.280 173 C HA 0.272 4.732 4.460 -0.000 0.000 0.334 173 C C -1.696 173.234 174.990 -0.099 0.000 0.977 173 C CA -1.313 57.620 59.018 -0.141 0.000 1.264 173 C CB -0.081 27.503 27.740 -0.260 0.000 1.688 173 C HN 0.372 nan 8.230 nan 0.000 0.592 174 P HA -0.160 nan 4.420 nan 0.000 0.216 174 P C 1.714 178.972 177.300 -0.069 0.000 1.153 174 P CA 1.112 64.184 63.100 -0.047 0.000 0.858 174 P CB 0.120 31.806 31.700 -0.025 0.000 0.789 175 L N -1.012 120.141 121.223 -0.116 0.000 2.089 175 L HA -0.200 4.140 4.340 -0.000 0.000 0.213 175 L C 1.165 177.781 176.870 -0.423 0.000 1.079 175 L CA 2.097 56.776 54.840 -0.269 0.000 0.758 175 L CB -1.136 40.759 42.059 -0.274 0.000 0.891 175 L HN 0.135 nan 8.230 nan 0.000 0.433 176 H N -1.389 117.630 119.070 -0.085 0.000 2.469 176 H HA 0.433 4.988 4.556 -0.000 0.000 0.286 176 H C 1.226 176.532 175.328 -0.038 0.000 1.106 176 H CA 0.318 56.330 56.048 -0.060 0.000 1.055 176 H CB 0.090 29.814 29.762 -0.063 0.000 1.618 176 H HN 0.357 nan 8.280 nan 0.000 0.559 177 G N 1.074 109.894 108.800 0.034 0.000 2.148 177 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.254 177 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.254 177 G C 0.103 175.013 174.900 0.018 0.000 0.981 177 G CA 0.071 45.188 45.100 0.027 0.000 0.670 177 G HN 0.400 nan 8.290 nan 0.000 0.528 178 I N 2.555 123.127 120.570 0.004 0.000 2.330 178 I HA 0.356 4.526 4.170 -0.000 0.000 0.286 178 I C 1.044 177.140 176.117 -0.036 0.000 1.025 178 I CA -0.272 61.023 61.300 -0.008 0.000 1.197 178 I CB 1.315 39.310 38.000 -0.009 0.000 1.358 178 I HN 0.310 nan 8.210 nan 0.000 0.467 179 S N 3.844 119.534 115.700 -0.017 0.000 2.655 179 S HA 0.260 4.730 4.470 -0.000 0.000 0.265 179 S C 0.896 175.478 174.600 -0.031 0.000 1.240 179 S CA -0.580 57.608 58.200 -0.020 0.000 0.986 179 S CB 1.408 64.614 63.200 0.010 0.000 0.985 179 S HN 0.625 nan 8.310 nan 0.000 0.562 180 E N 0.376 120.570 120.200 -0.010 0.000 2.110 180 E HA -0.155 4.195 4.350 -0.000 0.000 0.193 180 E C 1.123 177.818 176.600 0.157 0.000 0.988 180 E CA 1.298 57.736 56.400 0.065 0.000 0.804 180 E CB -0.175 29.618 29.700 0.155 0.000 0.745 180 E HN 0.617 nan 8.360 nan 0.000 0.458 181 D N 0.895 121.359 120.400 0.107 0.000 2.117 181 D HA -0.141 4.499 4.640 -0.000 0.000 0.197 181 D C 1.529 177.893 176.300 0.106 0.000 0.987 181 D CA 0.919 54.985 54.000 0.109 0.000 0.829 181 D CB -0.257 40.588 40.800 0.074 0.000 0.961 181 D HN 0.092 nan 8.370 nan 0.000 0.460 182 D N 0.372 120.816 120.400 0.073 0.000 2.123 182 D HA -0.117 4.523 4.640 -0.000 0.000 0.196 182 D C 1.971 178.324 176.300 0.088 0.000 0.992 182 D CA 1.224 55.262 54.000 0.064 0.000 0.833 182 D CB -0.202 40.621 40.800 0.038 0.000 0.954 182 D HN 0.148 nan 8.370 nan 0.000 0.455 183 A N 1.137 124.017 122.820 0.100 0.000 1.873 183 A HA -0.134 4.186 4.320 -0.000 0.000 0.215 183 A C 2.220 179.961 177.584 0.263 0.000 1.186 183 A CA 0.835 52.972 52.037 0.166 0.000 0.616 183 A CB -0.466 18.550 19.000 0.026 0.000 0.823 183 A HN 0.108 nan 8.150 nan 0.000 0.442 184 I N 0.063 120.814 120.570 0.301 0.000 2.315 184 I HA -0.213 3.956 4.170 -0.000 0.000 0.248 184 I C 2.904 179.117 176.117 0.160 0.000 1.117 184 I CA 1.412 62.841 61.300 0.215 0.000 1.404 184 I CB -1.555 36.570 38.000 0.209 0.000 1.071 184 I HN 0.366 nan 8.210 nan 0.000 0.419 185 A N 1.025 123.953 122.820 0.180 0.000 1.972 185 A HA -0.198 4.122 4.320 -0.000 0.000 0.219 185 A C 2.498 180.132 177.584 0.085 0.000 1.169 185 A CA 2.077 54.216 52.037 0.170 0.000 0.635 185 A CB -0.706 18.361 19.000 0.111 0.000 0.810 185 A HN 0.569 nan 8.150 nan 0.000 0.446 186 S N -0.334 115.390 115.700 0.040 0.000 2.453 186 S HA -0.031 4.439 4.470 -0.000 0.000 0.231 186 S C 1.770 176.281 174.600 -0.148 0.000 1.005 186 S CA 1.180 59.365 58.200 -0.025 0.000 0.949 186 S CB -0.608 62.590 63.200 -0.003 0.000 0.774 186 S HN 0.491 nan 8.310 nan 0.000 0.510 187 I N 1.135 121.569 120.570 -0.228 0.000 2.333 187 I HA -0.093 4.077 4.170 -0.000 0.000 0.246 187 I C 2.765 178.407 176.117 -0.792 0.000 1.106 187 I CA 1.121 62.090 61.300 -0.551 0.000 1.411 187 I CB -0.498 37.180 38.000 -0.537 0.000 1.082 187 I HN 0.307 nan 8.210 nan 0.000 0.420 188 H N 0.691 119.573 119.070 -0.314 0.000 2.387 188 H HA -0.161 4.395 4.556 -0.000 0.000 0.299 188 H C 2.297 177.566 175.328 -0.099 0.000 1.099 188 H CA 1.378 57.354 56.048 -0.120 0.000 1.315 188 H CB -0.263 29.519 29.762 0.034 0.000 1.380 188 H HN 0.283 nan 8.280 nan 0.000 0.513 189 R N 0.628 121.121 120.500 -0.012 0.000 2.081 189 R HA -0.098 4.242 4.340 -0.000 0.000 0.235 189 R C 2.397 178.658 176.300 -0.064 0.000 1.131 189 R CA 1.149 57.241 56.100 -0.013 0.000 0.960 189 R CB -0.189 30.103 30.300 -0.013 0.000 0.856 189 R HN 0.200 nan 8.270 nan 0.000 0.436 190 I N -0.005 120.454 120.570 -0.185 0.000 2.179 190 I HA -0.303 3.867 4.170 -0.000 0.000 0.242 190 I C 1.936 177.980 176.117 -0.121 0.000 1.088 190 I CA 1.506 62.685 61.300 -0.203 0.000 1.357 190 I CB -0.319 37.487 38.000 -0.322 0.000 1.051 190 I HN 0.198 nan 8.210 nan 0.000 0.409 191 F N 0.955 120.814 119.950 -0.152 0.000 2.126 191 F HA -0.263 4.263 4.527 -0.000 0.000 0.299 191 F C 2.528 178.262 175.800 -0.109 0.000 1.096 191 F CA 1.059 58.962 58.000 -0.162 0.000 1.255 191 F CB -0.290 38.620 39.000 -0.151 0.000 0.997 191 F HN -0.008 nan 8.300 nan 0.000 0.479 192 K N -0.282 120.199 120.400 0.134 0.000 2.186 192 K HA -0.042 4.278 4.320 -0.000 0.000 0.202 192 K C 1.522 178.137 176.600 0.025 0.000 1.052 192 K CA 0.860 57.188 56.287 0.069 0.000 0.965 192 K CB -0.086 32.457 32.500 0.071 0.000 0.746 192 K HN 0.270 nan 8.250 nan 0.000 0.457 193 N N 0.164 118.869 118.700 0.008 0.000 2.439 193 N HA -0.025 4.715 4.740 -0.000 0.000 0.176 193 N C 0.716 176.218 175.510 -0.013 0.000 1.029 193 N CA 0.915 53.965 53.050 0.001 0.000 0.886 193 N CB 0.485 38.977 38.487 0.008 0.000 1.057 193 N HN 0.163 nan 8.380 nan 0.000 0.437 194 D N -0.367 119.993 120.400 -0.066 0.000 2.461 194 D HA 0.222 4.861 4.640 -0.000 0.000 0.266 194 D C -0.239 175.897 176.300 -0.274 0.000 1.085 194 D CA 0.285 54.220 54.000 -0.108 0.000 0.887 194 D CB 1.541 42.314 40.800 -0.046 0.000 1.309 194 D HN 0.035 nan 8.370 nan 0.000 0.498 195 A N 1.021 123.620 122.820 -0.369 0.000 2.466 195 A HA 0.643 4.963 4.320 -0.000 0.000 0.284 195 A C -0.448 177.047 177.584 -0.148 0.000 1.049 195 A CA -0.447 51.363 52.037 -0.377 0.000 0.760 195 A CB 1.327 19.817 19.000 -0.849 0.000 1.274 195 A HN 0.067 nan 8.150 nan 0.000 0.412 196 A N 3.731 126.480 122.820 -0.118 0.000 2.448 196 A HA 0.587 4.907 4.320 -0.000 0.000 0.239 196 A C -1.353 176.094 177.584 -0.229 0.000 1.080 196 A CA -0.852 51.104 52.037 -0.135 0.000 0.779 196 A CB -0.242 18.682 19.000 -0.126 0.000 1.026 196 A HN 0.534 nan 8.150 nan 0.000 0.499 197 P HA -0.206 nan 4.420 nan 0.000 0.216 197 P C 1.137 178.256 177.300 -0.303 0.000 1.150 197 P CA 1.649 64.292 63.100 -0.762 0.000 0.843 197 P CB 0.056 30.973 31.700 -1.305 0.000 0.787 198 E N -0.859 119.215 120.200 -0.210 0.000 2.515 198 E HA -0.156 4.193 4.350 -0.000 0.000 0.201 198 E C 0.480 177.031 176.600 -0.082 0.000 1.071 198 E CA 1.029 57.362 56.400 -0.111 0.000 0.880 198 E CB -0.729 28.920 29.700 -0.085 0.000 0.828 198 E HN 0.312 nan 8.360 nan 0.000 0.540 199 D N 0.422 120.768 120.400 -0.090 0.000 2.433 199 D HA 0.155 4.795 4.640 -0.000 0.000 0.211 199 D C -0.057 176.232 176.300 -0.017 0.000 1.114 199 D CA -0.213 53.752 54.000 -0.058 0.000 0.837 199 D CB 0.687 41.440 40.800 -0.078 0.000 0.984 199 D HN 0.114 nan 8.370 nan 0.000 0.505 200 I N 1.686 122.252 120.570 -0.008 0.000 2.307 200 I HA 0.199 4.369 4.170 -0.000 0.000 0.289 200 I C 1.403 177.551 176.117 0.052 0.000 1.021 200 I CA -0.409 60.926 61.300 0.059 0.000 1.224 200 I CB 0.987 39.063 38.000 0.127 0.000 1.376 200 I HN -0.191 nan 8.210 nan 0.000 0.470 201 A N 5.489 128.345 122.820 0.060 0.000 1.968 201 A HA 0.477 4.797 4.320 -0.000 0.000 0.217 201 A C 1.028 178.644 177.584 0.054 0.000 1.169 201 A CA 1.166 53.229 52.037 0.043 0.000 0.638 201 A CB 0.157 19.178 19.000 0.035 0.000 0.812 201 A HN 0.788 nan 8.150 nan 0.000 0.446 202 A N -1.515 121.353 122.820 0.080 0.000 2.608 202 A HA 0.643 4.963 4.320 -0.000 0.000 0.292 202 A C -1.278 176.366 177.584 0.101 0.000 1.066 202 A CA -0.471 51.615 52.037 0.082 0.000 0.676 202 A CB 0.568 19.606 19.000 0.064 0.000 1.277 202 A HN 0.208 nan 8.150 nan 0.000 0.413 203 I N 1.492 122.129 120.570 0.113 0.000 2.362 203 I HA 0.450 4.620 4.170 -0.000 0.000 0.289 203 I C -0.777 175.448 176.117 0.179 0.000 0.994 203 I CA -0.892 60.493 61.300 0.141 0.000 1.158 203 I CB 1.888 39.990 38.000 0.170 0.000 1.315 203 I HN 0.359 nan 8.210 nan 0.000 0.451 204 V N 7.746 127.771 119.914 0.184 0.000 2.398 204 V HA 0.532 4.651 4.120 -0.000 0.000 0.286 204 V C -0.195 176.115 176.094 0.360 0.000 1.026 204 V CA -0.564 61.823 62.300 0.145 0.000 0.868 204 V CB 1.961 33.720 31.823 -0.106 0.000 0.982 204 V HN 0.552 nan 8.190 nan 0.000 0.443 205 I N 2.914 123.684 120.570 0.333 0.000 2.752 205 I HA 0.496 4.666 4.170 -0.000 0.000 0.295 205 I C -0.633 175.672 176.117 0.313 0.000 1.219 205 I CA -0.519 61.008 61.300 0.379 0.000 1.030 205 I CB 2.730 40.843 38.000 0.190 0.000 1.259 205 I HN 0.640 nan 8.210 nan 0.000 0.423 206 E N 7.856 128.241 120.200 0.308 0.000 2.194 206 E HA 0.236 4.585 4.350 -0.000 0.000 0.284 206 E C -1.943 174.777 176.600 0.201 0.000 1.035 206 E CA -1.532 54.988 56.400 0.199 0.000 0.836 206 E CB 1.176 30.919 29.700 0.071 0.000 1.070 206 E HN 0.399 nan 8.360 nan 0.000 0.401 207 P HA -0.143 nan 4.420 nan 0.000 0.218 207 P C -0.229 177.166 177.300 0.159 0.000 1.148 207 P CA 0.947 64.140 63.100 0.155 0.000 0.822 207 P CB 0.334 32.102 31.700 0.114 0.000 0.784 208 V N 0.063 120.021 119.914 0.073 0.000 2.482 208 V HA 0.172 4.291 4.120 -0.000 0.000 0.295 208 V C -0.055 175.984 176.094 -0.090 0.000 1.026 208 V CA -0.839 61.457 62.300 -0.007 0.000 0.856 208 V CB 1.602 33.342 31.823 -0.138 0.000 1.001 208 V HN -0.091 nan 8.190 nan 0.000 0.424 209 Q N 2.069 121.778 119.800 -0.151 0.000 2.337 209 Q HA 0.281 4.621 4.340 -0.000 0.000 0.270 209 Q C 1.049 177.010 176.000 -0.065 0.000 1.002 209 Q CA 0.650 56.341 55.803 -0.188 0.000 0.888 209 Q CB 1.676 30.207 28.738 -0.346 0.000 1.222 209 Q HN 0.946 nan 8.270 nan 0.000 0.400 210 G N 1.978 110.770 108.800 -0.014 0.000 2.726 210 G HA2 -0.128 3.832 3.960 -0.000 0.000 0.221 210 G HA3 -0.128 3.832 3.960 -0.000 0.000 0.221 210 G C 0.789 175.771 174.900 0.136 0.000 1.327 210 G CA -0.062 45.119 45.100 0.135 0.000 0.884 210 G HN 0.532 nan 8.290 nan 0.000 0.581 211 E N 1.185 121.366 120.200 -0.032 0.000 2.265 211 E HA -0.070 4.279 4.350 -0.000 0.000 0.196 211 E C 2.464 179.036 176.600 -0.047 0.000 0.996 211 E CA 0.918 57.247 56.400 -0.119 0.000 0.832 211 E CB -0.661 28.819 29.700 -0.366 0.000 0.756 211 E HN 0.371 nan 8.360 nan 0.000 0.491 212 G N 0.013 108.803 108.800 -0.017 0.000 2.776 212 G HA2 0.106 4.066 3.960 -0.000 0.000 0.209 212 G HA3 0.106 4.066 3.960 -0.000 0.000 0.209 212 G C 1.002 175.907 174.900 0.007 0.000 1.145 212 G CA 0.536 45.634 45.100 -0.004 0.000 0.791 212 G HN 0.419 nan 8.290 nan 0.000 0.530 213 G N -1.196 107.550 108.800 -0.092 0.000 2.151 213 G HA2 -0.093 3.867 3.960 -0.000 0.000 0.140 213 G HA3 -0.093 3.867 3.960 -0.000 0.000 0.140 213 G C 0.359 174.981 174.900 -0.464 0.000 1.020 213 G CA -0.232 44.652 45.100 -0.359 0.000 0.688 213 G HN 0.594 nan 8.290 nan 0.000 0.500 214 F N -1.039 118.668 119.950 -0.405 0.000 3.027 214 F HA -0.179 4.347 4.527 -0.000 0.000 0.276 214 F C 0.387 175.989 175.800 -0.329 0.000 0.967 214 F CA 0.160 57.979 58.000 -0.302 0.000 0.929 214 F CB -2.392 36.467 39.000 -0.235 0.000 0.873 214 F HN 0.493 nan 8.300 nan 0.000 0.787 215 Y N -0.456 119.892 120.300 0.079 0.000 2.328 215 Y HA 0.644 5.194 4.550 -0.000 0.000 0.337 215 Y C 0.538 176.496 175.900 0.097 0.000 1.008 215 Y CA -0.592 57.555 58.100 0.078 0.000 1.129 215 Y CB 1.300 39.797 38.460 0.062 0.000 1.185 215 Y HN 0.284 nan 8.280 nan 0.000 0.476 216 A N 2.289 125.278 122.820 0.281 0.000 2.325 216 A HA 0.576 4.896 4.320 -0.000 0.000 0.333 216 A C -0.203 177.504 177.584 0.206 0.000 1.155 216 A CA -0.697 51.466 52.037 0.210 0.000 0.814 216 A CB 1.147 20.207 19.000 0.101 0.000 1.206 216 A HN 0.619 nan 8.150 nan 0.000 0.482 217 S N 1.072 116.870 115.700 0.164 0.000 2.584 217 S HA 0.496 4.966 4.470 -0.000 0.000 0.273 217 S C 0.582 175.227 174.600 0.075 0.000 1.311 217 S CA 0.095 58.310 58.200 0.025 0.000 1.034 217 S CB 0.292 63.534 63.200 0.071 0.000 0.939 217 S HN 1.588 nan 8.310 nan 0.000 0.513 218 S N 3.857 119.604 115.700 0.078 0.000 2.632 218 S HA 0.459 4.929 4.470 -0.000 0.000 0.271 218 S C -2.133 172.532 174.600 0.107 0.000 1.260 218 S CA -1.154 57.097 58.200 0.086 0.000 1.010 218 S CB 0.769 64.015 63.200 0.077 0.000 0.965 218 S HN 0.556 nan 8.310 nan 0.000 0.534 219 P HA -0.029 nan 4.420 nan 0.000 0.216 219 P C 1.584 178.914 177.300 0.051 0.000 1.150 219 P CA 1.848 64.981 63.100 0.055 0.000 0.837 219 P CB -0.213 31.510 31.700 0.039 0.000 0.786 220 A N -1.061 121.797 122.820 0.063 0.000 1.908 220 A HA -0.227 4.093 4.320 -0.000 0.000 0.218 220 A C 2.118 179.735 177.584 0.056 0.000 1.181 220 A CA 1.541 53.611 52.037 0.055 0.000 0.627 220 A CB -1.840 17.200 19.000 0.066 0.000 0.818 220 A HN 0.164 nan 8.150 nan 0.000 0.445 221 F N -0.422 119.512 119.950 -0.027 0.000 2.113 221 F HA -0.123 4.404 4.527 -0.000 0.000 0.297 221 F C 2.138 177.912 175.800 -0.043 0.000 1.103 221 F CA 2.193 60.164 58.000 -0.048 0.000 1.248 221 F CB -0.304 38.633 39.000 -0.105 0.000 0.999 221 F HN 0.236 nan 8.300 nan 0.000 0.475 222 M N 0.732 120.263 119.600 -0.116 0.000 2.159 222 M HA -0.219 4.261 4.480 -0.000 0.000 0.263 222 M C 2.107 178.304 176.300 -0.172 0.000 1.063 222 M CA 1.730 56.927 55.300 -0.171 0.000 1.110 222 M CB -0.634 31.969 32.600 0.004 0.000 1.374 222 M HN 0.296 nan 8.290 nan 0.000 0.411 223 Q N -0.969 118.768 119.800 -0.105 0.000 2.119 223 Q HA -0.146 4.194 4.340 -0.000 0.000 0.201 223 Q C 2.160 178.097 176.000 -0.104 0.000 0.972 223 Q CA 1.558 57.318 55.803 -0.072 0.000 0.847 223 Q CB -0.123 28.597 28.738 -0.030 0.000 0.903 223 Q HN 0.517 nan 8.270 nan 0.000 0.433 224 R N -0.054 120.349 120.500 -0.163 0.000 2.092 224 R HA -0.118 4.222 4.340 -0.000 0.000 0.231 224 R C 2.203 178.386 176.300 -0.195 0.000 1.119 224 R CA 0.859 56.869 56.100 -0.150 0.000 0.970 224 R CB -0.267 29.942 30.300 -0.151 0.000 0.864 224 R HN 0.169 nan 8.270 nan 0.000 0.440 225 L N 1.000 122.004 121.223 -0.366 0.000 2.056 225 L HA -0.104 4.236 4.340 -0.000 0.000 0.207 225 L C 2.326 179.134 176.870 -0.104 0.000 1.078 225 L CA 1.698 56.367 54.840 -0.284 0.000 0.749 225 L CB -0.378 41.422 42.059 -0.432 0.000 0.901 225 L HN -0.094 nan 8.230 nan 0.000 0.433 226 R N 0.251 120.695 120.500 -0.094 0.000 2.081 226 R HA -0.082 4.258 4.340 -0.000 0.000 0.235 226 R C 2.127 178.417 176.300 -0.017 0.000 1.131 226 R CA 1.788 57.869 56.100 -0.031 0.000 0.960 226 R CB -0.916 29.371 30.300 -0.022 0.000 0.856 226 R HN 0.471 nan 8.270 nan 0.000 0.436 227 A N 0.575 123.379 122.820 -0.026 0.000 1.930 227 A HA -0.089 4.231 4.320 -0.000 0.000 0.217 227 A C 2.255 179.843 177.584 0.007 0.000 1.175 227 A CA 1.411 53.441 52.037 -0.013 0.000 0.627 227 A CB -0.682 18.312 19.000 -0.011 0.000 0.815 227 A HN 0.447 nan 8.150 nan 0.000 0.443 228 L N -0.694 120.552 121.223 0.039 0.000 2.056 228 L HA -0.198 4.142 4.340 -0.000 0.000 0.207 228 L C 2.492 179.461 176.870 0.164 0.000 1.078 228 L CA 1.903 56.823 54.840 0.132 0.000 0.749 228 L CB -0.411 41.726 42.059 0.131 0.000 0.901 228 L HN 0.463 nan 8.230 nan 0.000 0.433 229 C N 0.298 119.662 119.300 0.107 0.000 2.429 229 C HA -0.154 4.306 4.460 -0.000 0.000 0.277 229 C C 2.306 177.323 174.990 0.043 0.000 1.262 229 C CA 0.822 59.902 59.018 0.104 0.000 1.733 229 C CB -1.005 26.776 27.740 0.068 0.000 2.010 229 C HN 0.614 nan 8.230 nan 0.000 0.483 230 D N 0.374 120.774 120.400 0.001 0.000 2.104 230 D HA -0.162 4.478 4.640 -0.000 0.000 0.194 230 D C 2.085 178.335 176.300 -0.084 0.000 0.994 230 D CA 1.415 55.392 54.000 -0.039 0.000 0.830 230 D CB -0.618 40.158 40.800 -0.040 0.000 0.959 230 D HN 0.674 nan 8.370 nan 0.000 0.452 231 E N -0.352 119.767 120.200 -0.135 0.000 2.160 231 E HA -0.200 4.150 4.350 -0.000 0.000 0.195 231 E C 1.025 177.361 176.600 -0.441 0.000 0.991 231 E CA 1.015 57.234 56.400 -0.302 0.000 0.810 231 E CB 0.112 29.565 29.700 -0.411 0.000 0.742 231 E HN 0.407 nan 8.360 nan 0.000 0.466 232 H N -1.615 117.418 119.070 -0.062 0.000 2.594 232 H HA 0.222 4.778 4.556 -0.000 0.000 0.279 232 H C 1.028 176.302 175.328 -0.090 0.000 1.042 232 H CA 0.602 56.582 56.048 -0.113 0.000 1.177 232 H CB 1.289 30.928 29.762 -0.205 0.000 1.524 232 H HN 0.363 nan 8.280 nan 0.000 0.537 233 G N 1.785 110.589 108.800 0.007 0.000 2.153 233 G HA2 -0.288 3.671 3.960 -0.000 0.000 0.252 233 G HA3 -0.288 3.671 3.960 -0.000 0.000 0.252 233 G C 0.235 175.142 174.900 0.012 0.000 0.994 233 G CA 0.215 45.311 45.100 -0.007 0.000 0.698 233 G HN 0.344 nan 8.290 nan 0.000 0.521 234 I N 1.265 121.863 120.570 0.048 0.000 2.428 234 I HA 0.317 4.487 4.170 -0.000 0.000 0.289 234 I C 0.993 177.137 176.117 0.044 0.000 1.019 234 I CA -0.794 60.542 61.300 0.059 0.000 1.351 234 I CB 0.937 39.005 38.000 0.114 0.000 1.412 234 I HN -0.026 nan 8.210 nan 0.000 0.513 235 M N 6.468 126.090 119.600 0.036 0.000 2.200 235 M HA 0.205 4.685 4.480 -0.000 0.000 0.355 235 M C -0.532 175.800 176.300 0.053 0.000 1.283 235 M CA -0.630 54.686 55.300 0.027 0.000 1.124 235 M CB 0.668 33.278 32.600 0.017 0.000 1.625 235 M HN 0.294 nan 8.290 nan 0.000 0.463 236 L N 5.890 127.144 121.223 0.052 0.000 2.265 236 L HA 0.489 4.829 4.340 -0.000 0.000 0.288 236 L C -0.892 176.022 176.870 0.073 0.000 1.058 236 L CA 0.209 55.094 54.840 0.075 0.000 0.809 236 L CB 0.203 42.303 42.059 0.067 0.000 1.179 236 L HN 0.574 nan 8.230 nan 0.000 0.429 237 I N 5.659 126.280 120.570 0.085 0.000 2.355 237 I HA 0.462 4.632 4.170 -0.000 0.000 0.288 237 I C 0.065 176.241 176.117 0.097 0.000 0.999 237 I CA -0.604 60.739 61.300 0.071 0.000 1.163 237 I CB 1.607 39.635 38.000 0.046 0.000 1.316 237 I HN 0.775 nan 8.210 nan 0.000 0.454 238 A N 4.880 127.755 122.820 0.092 0.000 2.260 238 A HA 0.262 4.582 4.320 -0.000 0.000 0.312 238 A C -0.351 177.312 177.584 0.131 0.000 1.321 238 A CA -0.427 51.680 52.037 0.117 0.000 0.928 238 A CB 0.178 19.235 19.000 0.095 0.000 1.158 238 A HN 0.663 nan 8.150 nan 0.000 0.542 239 D N 2.688 123.195 120.400 0.177 0.000 2.393 239 D HA 0.127 4.767 4.640 -0.000 0.000 0.232 239 D C 0.345 176.763 176.300 0.196 0.000 1.192 239 D CA 0.162 54.281 54.000 0.198 0.000 0.882 239 D CB 0.542 41.535 40.800 0.321 0.000 1.038 239 D HN 0.584 nan 8.370 nan 0.000 0.499 240 E N 2.802 123.131 120.200 0.214 0.000 2.496 240 E HA 0.041 4.391 4.350 -0.000 0.000 0.200 240 E C 1.646 178.388 176.600 0.236 0.000 1.016 240 E CA -0.136 56.416 56.400 0.252 0.000 0.962 240 E CB 0.941 30.905 29.700 0.440 0.000 1.071 240 E HN 0.326 nan 8.360 nan 0.000 0.457 241 V N 1.112 121.141 119.914 0.191 0.000 2.317 241 V HA -0.326 3.793 4.120 -0.000 0.000 0.251 241 V C 2.360 178.517 176.094 0.106 0.000 1.065 241 V CA 2.287 64.680 62.300 0.155 0.000 1.049 241 V CB -0.225 31.673 31.823 0.125 0.000 0.651 241 V HN 0.346 nan 8.190 nan 0.000 0.450 242 Q N -0.830 119.014 119.800 0.073 0.000 2.390 242 Q HA -0.060 4.280 4.340 -0.000 0.000 0.216 242 Q C 2.277 178.253 176.000 -0.040 0.000 0.916 242 Q CA 0.959 56.773 55.803 0.019 0.000 0.911 242 Q CB 0.179 28.924 28.738 0.012 0.000 1.035 242 Q HN 0.736 nan 8.270 nan 0.000 0.541 243 S N -0.681 114.996 115.700 -0.039 0.000 2.461 243 S HA 0.111 4.581 4.470 -0.000 0.000 0.228 243 S C 1.095 175.637 174.600 -0.097 0.000 1.005 243 S CA 0.225 58.371 58.200 -0.091 0.000 0.942 243 S CB -0.059 63.111 63.200 -0.050 0.000 0.776 243 S HN 0.368 nan 8.310 nan 0.000 0.514 244 G N 0.200 108.965 108.800 -0.059 0.000 2.553 244 G HA2 0.472 4.432 3.960 -0.000 0.000 0.278 244 G HA3 0.472 4.432 3.960 -0.000 0.000 0.278 244 G C 0.586 175.228 174.900 -0.430 0.000 1.349 244 G CA -0.451 44.477 45.100 -0.286 0.000 1.037 244 G HN 1.340 nan 8.290 nan 0.000 0.508 245 A N -2.374 119.972 122.820 -0.789 0.000 2.704 245 A HA 0.251 4.571 4.320 -0.000 0.000 0.299 245 A C 2.056 179.288 177.584 -0.587 0.000 1.507 245 A CA 1.904 53.542 52.037 -0.665 0.000 0.776 245 A CB -1.468 17.348 19.000 -0.306 0.000 1.027 245 A HN 2.986 nan 8.150 nan 0.000 0.475 246 G N -1.628 106.808 108.800 -0.607 0.000 2.199 246 G HA2 -0.350 3.610 3.960 -0.000 0.000 0.254 246 G HA3 -0.350 3.610 3.960 -0.000 0.000 0.254 246 G C 0.873 175.721 174.900 -0.088 0.000 0.982 246 G CA 1.250 46.153 45.100 -0.328 0.000 0.632 246 G HN 1.494 nan 8.290 nan 0.000 0.529 247 R N 1.116 121.548 120.500 -0.112 0.000 2.117 247 R HA -0.065 4.275 4.340 -0.000 0.000 0.243 247 R C 2.795 179.043 176.300 -0.087 0.000 1.143 247 R CA 2.766 58.820 56.100 -0.078 0.000 0.968 247 R CB -0.722 29.510 30.300 -0.113 0.000 0.863 247 R HN 0.743 nan 8.270 nan 0.000 0.444 248 T N -4.136 110.353 114.554 -0.108 0.000 3.144 248 T HA 0.295 4.644 4.350 -0.000 0.000 0.249 248 T C 1.232 175.901 174.700 -0.052 0.000 1.089 248 T CA 0.407 62.456 62.100 -0.085 0.000 0.989 248 T CB 0.506 69.325 68.868 -0.083 0.000 0.992 248 T HN 0.392 nan 8.240 nan 0.000 0.540 249 G N 1.059 109.834 108.800 -0.041 0.000 2.232 249 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.226 249 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.226 249 G C 0.261 175.144 174.900 -0.028 0.000 0.996 249 G CA 0.110 45.198 45.100 -0.019 0.000 0.626 249 G HN 1.185 nan 8.290 nan 0.000 0.509 250 T N -1.643 112.875 114.554 -0.061 0.000 2.924 250 T HA 0.680 5.030 4.350 -0.000 0.000 0.291 250 T C 1.135 175.730 174.700 -0.174 0.000 1.045 250 T CA -0.023 62.032 62.100 -0.075 0.000 1.015 250 T CB 2.212 71.058 68.868 -0.036 0.000 1.103 250 T HN 0.732 nan 8.240 nan 0.000 0.496 251 L N -0.011 121.078 121.223 -0.224 0.000 2.042 251 L HA 0.275 4.615 4.340 -0.000 0.000 0.210 251 L C -0.225 176.206 176.870 -0.732 0.000 1.076 251 L CA 1.732 56.281 54.840 -0.485 0.000 0.749 251 L CB -0.498 41.323 42.059 -0.397 0.000 0.893 251 L HN 0.703 nan 8.230 nan 0.000 0.432 252 F N -2.440 117.431 119.950 -0.132 0.000 2.540 252 F HA 0.488 5.014 4.527 -0.000 0.000 0.317 252 F C 1.068 176.832 175.800 -0.059 0.000 1.104 252 F CA -0.312 57.634 58.000 -0.090 0.000 0.913 252 F CB 1.359 40.313 39.000 -0.077 0.000 1.170 252 F HN -0.164 nan 8.300 nan 0.000 0.450 253 A N 2.932 125.816 122.820 0.107 0.000 1.972 253 A HA -0.134 4.186 4.320 -0.000 0.000 0.219 253 A C 2.083 179.716 177.584 0.082 0.000 1.169 253 A CA 1.395 53.468 52.037 0.060 0.000 0.635 253 A CB -0.418 18.606 19.000 0.041 0.000 0.810 253 A HN 0.730 nan 8.150 nan 0.000 0.446 254 M N -0.501 119.171 119.600 0.120 0.000 2.358 254 M HA -0.144 4.336 4.480 -0.000 0.000 0.264 254 M C 1.878 178.213 176.300 0.059 0.000 1.064 254 M CA 1.549 56.899 55.300 0.083 0.000 1.093 254 M CB -1.215 31.429 32.600 0.072 0.000 1.401 254 M HN 0.735 nan 8.290 nan 0.000 0.440 255 E N 0.488 120.728 120.200 0.067 0.000 2.204 255 E HA -0.222 4.127 4.350 -0.000 0.000 0.195 255 E C 1.555 178.170 176.600 0.026 0.000 0.990 255 E CA 1.104 57.527 56.400 0.038 0.000 0.821 255 E CB 0.109 29.833 29.700 0.039 0.000 0.750 255 E HN 0.614 nan 8.360 nan 0.000 0.477 256 Q N -0.933 118.884 119.800 0.030 0.000 2.425 256 Q HA 0.053 4.393 4.340 -0.000 0.000 0.204 256 Q C 1.458 177.475 176.000 0.029 0.000 0.933 256 Q CA 0.193 56.010 55.803 0.023 0.000 0.939 256 Q CB 0.349 29.098 28.738 0.019 0.000 1.044 256 Q HN 0.342 nan 8.270 nan 0.000 0.513 257 M N -1.427 118.194 119.600 0.035 0.000 2.541 257 M HA 0.150 4.630 4.480 -0.000 0.000 0.252 257 M C 1.259 177.575 176.300 0.027 0.000 1.125 257 M CA 0.942 56.264 55.300 0.037 0.000 1.091 257 M CB -0.092 32.536 32.600 0.045 0.000 1.420 257 M HN 0.369 nan 8.290 nan 0.000 0.486 258 G N 1.225 110.038 108.800 0.022 0.000 2.179 258 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.260 258 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.260 258 G C 0.198 175.109 174.900 0.019 0.000 0.977 258 G CA 0.355 45.465 45.100 0.018 0.000 0.641 258 G HN 0.559 nan 8.290 nan 0.000 0.533 259 V N -3.593 116.335 119.914 0.024 0.000 3.188 259 V HA 0.984 5.104 4.120 -0.000 0.000 0.305 259 V C -0.036 176.085 176.094 0.045 0.000 1.232 259 V CA -0.713 61.607 62.300 0.033 0.000 1.043 259 V CB 1.554 33.392 31.823 0.024 0.000 1.068 259 V HN 1.822 nan 8.190 nan 0.000 0.439 260 A N 2.729 125.595 122.820 0.077 0.000 2.324 260 A HA 1.014 5.334 4.320 -0.000 0.000 0.330 260 A C -2.519 175.146 177.584 0.136 0.000 1.165 260 A CA -1.805 50.292 52.037 0.101 0.000 0.813 260 A CB 1.235 20.318 19.000 0.138 0.000 1.197 260 A HN 0.829 nan 8.150 nan 0.000 0.484 261 P HA 0.280 nan 4.420 nan 0.000 0.278 261 P C -0.484 176.909 177.300 0.155 0.000 1.266 261 P CA -0.290 62.872 63.100 0.103 0.000 0.807 261 P CB 1.189 32.932 31.700 0.071 0.000 1.094 262 D N -0.442 120.013 120.400 0.092 0.000 2.213 262 D HA 0.092 4.732 4.640 -0.000 0.000 0.205 262 D C 0.536 176.886 176.300 0.084 0.000 0.961 262 D CA 1.272 55.310 54.000 0.063 0.000 0.853 262 D CB 0.306 41.104 40.800 -0.003 0.000 0.967 262 D HN 0.262 nan 8.370 nan 0.000 0.496 263 L N -0.369 120.892 121.223 0.062 0.000 2.409 263 L HA 0.365 4.705 4.340 -0.000 0.000 0.262 263 L C -0.673 176.215 176.870 0.030 0.000 0.992 263 L CA -0.444 54.422 54.840 0.044 0.000 0.817 263 L CB 2.792 44.868 42.059 0.028 0.000 1.350 263 L HN -0.358 nan 8.230 nan 0.000 0.411 264 T N 0.082 114.643 114.554 0.011 0.000 2.881 264 T HA 0.519 4.869 4.350 -0.000 0.000 0.290 264 T C -0.373 174.357 174.700 0.051 0.000 1.000 264 T CA -0.644 61.455 62.100 -0.002 0.000 0.978 264 T CB 1.750 70.519 68.868 -0.164 0.000 0.997 264 T HN 0.676 nan 8.240 nan 0.000 0.443 265 T N 1.080 115.677 114.554 0.073 0.000 2.902 265 T HA 0.849 5.199 4.350 -0.000 0.000 0.283 265 T C -0.531 174.274 174.700 0.175 0.000 1.009 265 T CA -0.812 61.299 62.100 0.019 0.000 1.051 265 T CB 0.588 69.461 68.868 0.008 0.000 0.999 265 T HN 0.535 nan 8.240 nan 0.000 0.474 266 F N -0.644 119.359 119.950 0.089 0.000 2.626 266 F HA 0.973 5.499 4.527 -0.000 0.000 0.311 266 F C -0.327 175.528 175.800 0.091 0.000 1.088 266 F CA -1.065 57.027 58.000 0.153 0.000 0.949 266 F CB 1.078 40.236 39.000 0.263 0.000 1.322 266 F HN 1.007 nan 8.300 nan 0.000 0.461 267 A N 0.779 123.772 122.820 0.290 0.000 5.813 267 A HA 0.535 4.855 4.320 -0.000 0.000 0.186 267 A C 0.239 177.916 177.584 0.155 0.000 0.898 267 A CA -0.184 51.950 52.037 0.162 0.000 0.822 267 A CB -0.532 18.500 19.000 0.054 0.000 2.156 267 A HN 0.905 nan 8.150 nan 0.000 1.053 268 K N -0.981 119.475 120.400 0.095 0.000 1.940 268 K HA -0.295 4.025 4.320 -0.000 0.000 0.138 268 K C 1.453 178.094 176.600 0.069 0.000 0.893 268 K CA 2.155 58.481 56.287 0.066 0.000 0.361 268 K CB -1.560 30.969 32.500 0.048 0.000 0.695 268 K HN 0.538 nan 8.250 nan 0.000 0.838 269 S N 0.585 116.317 115.700 0.053 0.000 2.595 269 S HA -0.057 4.413 4.470 -0.000 0.000 0.235 269 S C 1.575 176.219 174.600 0.074 0.000 0.974 269 S CA 0.755 58.990 58.200 0.058 0.000 0.942 269 S CB -0.199 63.031 63.200 0.050 0.000 0.766 269 S HN 0.325 nan 8.310 nan 0.000 0.536 270 I N 1.654 122.275 120.570 0.087 0.000 2.361 270 I HA -0.112 4.057 4.170 -0.000 0.000 0.251 270 I C 1.726 177.904 176.117 0.102 0.000 1.133 270 I CA 1.118 62.465 61.300 0.078 0.000 1.413 270 I CB -0.207 37.917 38.000 0.207 0.000 1.073 270 I HN 0.229 nan 8.210 nan 0.000 0.424 271 A N -0.689 122.217 122.820 0.143 0.000 2.535 271 A HA 0.548 4.868 4.320 -0.000 0.000 0.273 271 A C 1.545 179.282 177.584 0.256 0.000 1.267 271 A CA 0.231 52.376 52.037 0.180 0.000 0.940 271 A CB -0.828 18.297 19.000 0.209 0.000 1.101 271 A HN 0.658 nan 8.150 nan 0.000 0.521 272 G N -0.828 108.081 108.800 0.183 0.000 2.321 272 G HA2 0.126 4.086 3.960 -0.000 0.000 0.287 272 G HA3 0.126 4.086 3.960 -0.000 0.000 0.287 272 G C 1.322 176.313 174.900 0.152 0.000 1.018 272 G CA 1.008 46.210 45.100 0.170 0.000 0.855 272 G HN 2.156 nan 8.290 nan 0.000 0.507 273 G N -2.892 105.938 108.800 0.050 0.000 2.148 273 G HA2 0.053 4.012 3.960 -0.000 0.000 0.157 273 G HA3 0.053 4.012 3.960 -0.000 0.000 0.157 273 G C -0.018 174.563 174.900 -0.532 0.000 1.012 273 G CA 0.010 44.980 45.100 -0.216 0.000 0.677 273 G HN 1.097 nan 8.290 nan 0.000 0.506 274 F N 0.115 120.080 119.950 0.025 0.000 2.563 274 F HA 0.610 5.136 4.527 -0.000 0.000 0.316 274 F C -2.244 173.569 175.800 0.021 0.000 1.076 274 F CA -2.728 55.286 58.000 0.022 0.000 0.921 274 F CB 2.032 41.048 39.000 0.027 0.000 1.209 274 F HN -0.189 nan 8.300 nan 0.000 0.462 275 P HA 0.289 nan 4.420 nan 0.000 0.269 275 P C -1.187 176.174 177.300 0.101 0.000 1.263 275 P CA 0.221 63.370 63.100 0.080 0.000 0.813 275 P CB 0.475 32.192 31.700 0.028 0.000 0.868 276 L N 3.147 124.427 121.223 0.095 0.000 2.556 276 L HA 0.815 5.155 4.340 -0.000 0.000 0.257 276 L C -1.536 175.364 176.870 0.051 0.000 0.955 276 L CA -0.644 54.245 54.840 0.082 0.000 0.850 276 L CB 1.973 44.102 42.059 0.116 0.000 1.398 276 L HN 0.399 nan 8.230 nan 0.000 0.412 277 A N 1.760 124.556 122.820 -0.039 0.000 2.602 277 A HA 1.043 5.363 4.320 -0.000 0.000 0.290 277 A C -0.714 176.568 177.584 -0.504 0.000 1.114 277 A CA -0.043 51.875 52.037 -0.198 0.000 0.683 277 A CB 1.584 20.498 19.000 -0.143 0.000 1.281 277 A HN 1.470 nan 8.150 nan 0.000 0.416 278 G N -1.673 106.465 108.800 -1.104 0.000 2.550 278 G HA2 0.625 4.585 3.960 -0.000 0.000 0.293 278 G HA3 0.625 4.585 3.960 -0.000 0.000 0.293 278 G C -2.069 172.209 174.900 -1.037 0.000 1.402 278 G CA -0.114 44.289 45.100 -1.161 0.000 0.784 278 G HN 1.418 nan 8.290 nan 0.000 0.482 279 V N 0.270 119.923 119.914 -0.436 0.000 2.577 279 V HA 0.697 4.817 4.120 -0.000 0.000 0.303 279 V C -0.367 175.763 176.094 0.060 0.000 1.042 279 V CA -0.578 61.633 62.300 -0.148 0.000 0.872 279 V CB 1.802 33.569 31.823 -0.093 0.000 0.998 279 V HN 0.844 nan 8.190 nan 0.000 0.423 280 T N 3.380 118.019 114.554 0.142 0.000 2.807 280 T HA 0.852 5.202 4.350 -0.000 0.000 0.279 280 T C 0.186 174.916 174.700 0.050 0.000 0.993 280 T CA -0.264 61.900 62.100 0.106 0.000 0.970 280 T CB 1.770 70.678 68.868 0.066 0.000 0.950 280 T HN 1.119 nan 8.240 nan 0.000 0.441 281 G N 1.207 110.047 108.800 0.066 0.000 2.600 281 G HA2 0.531 4.491 3.960 -0.000 0.000 0.293 281 G HA3 0.531 4.491 3.960 -0.000 0.000 0.293 281 G C -1.188 173.805 174.900 0.154 0.000 1.408 281 G CA -1.094 44.067 45.100 0.102 0.000 0.782 281 G HN 0.707 nan 8.290 nan 0.000 0.482 282 R N 0.292 120.911 120.500 0.198 0.000 2.486 282 R HA 0.177 4.516 4.340 -0.000 0.000 0.304 282 R C 1.737 178.080 176.300 0.072 0.000 0.913 282 R CA 0.786 56.968 56.100 0.135 0.000 1.124 282 R CB 0.351 30.552 30.300 -0.165 0.000 0.891 282 R HN 0.706 nan 8.270 nan 0.000 0.410 283 A N 5.167 128.047 122.820 0.100 0.000 1.884 283 A HA -0.260 4.060 4.320 -0.000 0.000 0.219 283 A C 1.801 179.400 177.584 0.024 0.000 1.197 283 A CA 1.958 54.030 52.037 0.060 0.000 0.637 283 A CB -0.460 18.579 19.000 0.065 0.000 0.827 283 A HN 0.936 nan 8.150 nan 0.000 0.450 284 E N 0.180 120.381 120.200 0.001 0.000 2.268 284 E HA -0.081 4.269 4.350 -0.000 0.000 0.195 284 E C 1.868 178.457 176.600 -0.018 0.000 0.995 284 E CA 1.412 57.804 56.400 -0.012 0.000 0.836 284 E CB -0.850 28.834 29.700 -0.027 0.000 0.763 284 E HN 0.374 nan 8.360 nan 0.000 0.491 285 V N 1.640 121.540 119.914 -0.024 0.000 2.283 285 V HA -0.220 3.900 4.120 -0.000 0.000 0.243 285 V C 2.661 178.751 176.094 -0.006 0.000 1.039 285 V CA 1.750 64.037 62.300 -0.023 0.000 1.016 285 V CB -0.478 31.327 31.823 -0.030 0.000 0.650 285 V HN 0.193 nan 8.190 nan 0.000 0.449 286 M N -0.081 119.523 119.600 0.007 0.000 2.106 286 M HA -0.199 4.280 4.480 -0.000 0.000 0.259 286 M C 1.664 177.970 176.300 0.011 0.000 1.068 286 M CA 1.654 56.962 55.300 0.014 0.000 1.100 286 M CB -1.297 31.320 32.600 0.029 0.000 1.351 286 M HN 0.310 nan 8.290 nan 0.000 0.404 287 D N 0.157 120.563 120.400 0.010 0.000 2.352 287 D HA 0.141 4.781 4.640 -0.000 0.000 0.232 287 D C 1.682 177.982 176.300 0.000 0.000 1.055 287 D CA 0.403 54.408 54.000 0.008 0.000 0.891 287 D CB 0.038 40.844 40.800 0.010 0.000 0.897 287 D HN 0.290 nan 8.370 nan 0.000 0.529 288 A N -0.143 122.674 122.820 -0.005 0.000 2.066 288 A HA -0.012 4.308 4.320 -0.000 0.000 0.218 288 A C 1.213 178.792 177.584 -0.008 0.000 1.157 288 A CA 0.303 52.334 52.037 -0.009 0.000 0.670 288 A CB 0.159 19.151 19.000 -0.014 0.000 0.804 288 A HN 0.069 nan 8.150 nan 0.000 0.453 289 V N 0.793 120.703 119.914 -0.006 0.000 2.530 289 V HA 0.469 4.588 4.120 -0.000 0.000 0.282 289 V C 0.840 176.933 176.094 -0.002 0.000 1.048 289 V CA -0.456 61.840 62.300 -0.006 0.000 0.997 289 V CB 0.693 32.513 31.823 -0.006 0.000 0.987 289 V HN 0.489 nan 8.190 nan 0.000 0.477 290 A N 7.215 130.033 122.820 -0.004 0.000 2.386 290 A HA 0.583 4.903 4.320 -0.000 0.000 0.248 290 A C -2.196 175.388 177.584 0.001 0.000 1.082 290 A CA -1.264 50.771 52.037 -0.002 0.000 0.789 290 A CB -0.357 18.640 19.000 -0.005 0.000 1.025 290 A HN 0.738 nan 8.150 nan 0.000 0.490 291 P HA 0.237 nan 4.420 nan 0.000 0.261 291 P C 1.001 178.302 177.300 0.002 0.000 1.173 291 P CA 1.999 65.101 63.100 0.003 0.000 0.760 291 P CB 0.491 32.190 31.700 -0.001 0.000 0.783 292 G N 2.407 111.210 108.800 0.006 0.000 2.213 292 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.236 292 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.236 292 G C 1.143 176.047 174.900 0.006 0.000 0.991 292 G CA 0.114 45.217 45.100 0.005 0.000 0.629 292 G HN 0.778 nan 8.290 nan 0.000 0.517 293 G N -0.199 108.604 108.800 0.005 0.000 2.813 293 G HA2 0.493 4.453 3.960 -0.000 0.000 0.209 293 G HA3 0.493 4.453 3.960 -0.000 0.000 0.209 293 G C 0.528 175.431 174.900 0.004 0.000 1.150 293 G CA 0.716 45.816 45.100 0.001 0.000 0.785 293 G HN 0.605 nan 8.290 nan 0.000 0.535 294 L N -1.025 120.208 121.223 0.016 0.000 2.388 294 L HA 0.805 5.145 4.340 -0.000 0.000 0.264 294 L C 0.390 177.287 176.870 0.045 0.000 0.998 294 L CA -0.469 54.386 54.840 0.025 0.000 0.817 294 L CB 2.411 44.488 42.059 0.029 0.000 1.338 294 L HN 0.216 nan 8.230 nan 0.000 0.414 295 G N 0.404 109.237 108.800 0.054 0.000 2.404 295 G HA2 0.531 4.491 3.960 -0.000 0.000 0.253 295 G HA3 0.531 4.491 3.960 -0.000 0.000 0.253 295 G C -0.971 173.977 174.900 0.082 0.000 1.253 295 G CA 0.117 45.266 45.100 0.081 0.000 0.917 295 G HN 1.116 nan 8.290 nan 0.000 0.480 296 G N -2.389 106.465 108.800 0.090 0.000 2.301 296 G HA2 0.526 4.486 3.960 -0.000 0.000 0.290 296 G HA3 0.526 4.486 3.960 -0.000 0.000 0.290 296 G C 0.407 175.370 174.900 0.106 0.000 1.669 296 G CA 0.740 45.889 45.100 0.080 0.000 0.945 296 G HN 1.268 nan 8.290 nan 0.000 0.710 297 T N 0.837 115.409 114.554 0.029 0.000 2.622 297 T HA -0.133 4.217 4.350 -0.000 0.000 0.266 297 T C 1.866 176.710 174.700 0.240 0.000 1.047 297 T CA 2.459 64.575 62.100 0.026 0.000 1.159 297 T CB -0.261 68.443 68.868 -0.273 0.000 0.863 297 T HN 0.491 nan 8.240 nan 0.000 0.422 298 Y N 1.493 121.934 120.300 0.235 0.000 2.544 298 Y HA 0.537 5.086 4.550 -0.000 0.000 0.286 298 Y C 1.558 177.618 175.900 0.266 0.000 1.141 298 Y CA -1.134 57.127 58.100 0.268 0.000 1.299 298 Y CB -1.112 37.436 38.460 0.148 0.000 1.030 298 Y HN 0.149 nan 8.280 nan 0.000 0.543 299 A N 0.889 123.930 122.820 0.368 0.000 2.608 299 A HA 0.259 4.579 4.320 -0.000 0.000 0.246 299 A C 1.628 179.414 177.584 0.337 0.000 0.998 299 A CA 1.027 53.233 52.037 0.282 0.000 0.796 299 A CB -0.943 18.203 19.000 0.244 0.000 0.895 299 A HN 1.036 nan 8.150 nan 0.000 0.508 300 G N 2.208 111.102 108.800 0.156 0.000 2.338 300 G HA2 -0.293 3.666 3.960 -0.000 0.000 0.296 300 G HA3 -0.293 3.666 3.960 -0.000 0.000 0.296 300 G C 0.067 175.185 174.900 0.363 0.000 1.040 300 G CA 0.585 45.733 45.100 0.079 0.000 1.004 300 G HN 1.575 nan 8.290 nan 0.000 0.509 301 N N 0.437 119.303 118.700 0.277 0.000 2.359 301 N HA 0.240 4.980 4.740 -0.000 0.000 0.261 301 N C -0.098 175.506 175.510 0.157 0.000 1.267 301 N CA -0.541 52.654 53.050 0.243 0.000 0.864 301 N CB 0.751 39.336 38.487 0.163 0.000 1.063 301 N HN 0.105 nan 8.380 nan 0.000 0.474 302 P HA -0.222 nan 4.420 nan 0.000 0.216 302 P C 1.125 178.411 177.300 -0.023 0.000 1.157 302 P CA 1.499 64.537 63.100 -0.103 0.000 0.880 302 P CB 0.100 31.574 31.700 -0.377 0.000 0.791 303 I N -1.086 119.464 120.570 -0.032 0.000 2.226 303 I HA -0.237 3.933 4.170 -0.000 0.000 0.245 303 I C 2.300 178.356 176.117 -0.102 0.000 1.100 303 I CA 1.541 62.798 61.300 -0.071 0.000 1.374 303 I CB -0.789 37.184 38.000 -0.045 0.000 1.057 303 I HN -0.080 nan 8.210 nan 0.000 0.413 304 A N -0.169 122.655 122.820 0.007 0.000 1.969 304 A HA -0.189 4.131 4.320 -0.000 0.000 0.218 304 A C 2.443 180.045 177.584 0.031 0.000 1.169 304 A CA 1.422 53.491 52.037 0.053 0.000 0.635 304 A CB -1.044 18.044 19.000 0.147 0.000 0.810 304 A HN 0.523 nan 8.150 nan 0.000 0.445 305 C N -0.777 118.554 119.300 0.050 0.000 2.432 305 C HA -0.093 4.367 4.460 -0.000 0.000 0.277 305 C C 2.869 177.872 174.990 0.021 0.000 1.249 305 C CA 1.297 60.348 59.018 0.056 0.000 1.725 305 C CB -1.280 26.539 27.740 0.131 0.000 2.028 305 C HN 0.672 nan 8.230 nan 0.000 0.477 306 V N 0.572 120.481 119.914 -0.008 0.000 2.515 306 V HA -0.030 4.090 4.120 -0.000 0.000 0.250 306 V C 2.434 178.483 176.094 -0.075 0.000 1.058 306 V CA 2.062 64.343 62.300 -0.032 0.000 1.064 306 V CB -1.470 30.328 31.823 -0.041 0.000 0.675 306 V HN 0.420 nan 8.190 nan 0.000 0.461 307 A N 0.998 123.732 122.820 -0.144 0.000 1.877 307 A HA 0.034 4.354 4.320 -0.000 0.000 0.216 307 A C 2.537 180.101 177.584 -0.033 0.000 1.186 307 A CA 2.544 54.479 52.037 -0.171 0.000 0.620 307 A CB -1.180 17.610 19.000 -0.351 0.000 0.822 307 A HN 0.971 nan 8.150 nan 0.000 0.443 308 A N -0.311 122.513 122.820 0.007 0.000 1.902 308 A HA -0.044 4.276 4.320 -0.000 0.000 0.217 308 A C 2.168 179.754 177.584 0.002 0.000 1.181 308 A CA 1.499 53.552 52.037 0.027 0.000 0.623 308 A CB -0.650 18.375 19.000 0.042 0.000 0.818 308 A HN 0.475 nan 8.150 nan 0.000 0.443 309 L N -0.986 120.235 121.223 -0.004 0.000 2.079 309 L HA -0.207 4.133 4.340 -0.000 0.000 0.210 309 L C 2.656 179.521 176.870 -0.008 0.000 1.081 309 L CA 1.731 56.567 54.840 -0.006 0.000 0.752 309 L CB -0.384 41.677 42.059 0.003 0.000 0.896 309 L HN 0.402 nan 8.230 nan 0.000 0.433 310 E N -0.150 120.041 120.200 -0.016 0.000 2.107 310 E HA -0.128 4.222 4.350 -0.000 0.000 0.191 310 E C 2.146 178.727 176.600 -0.032 0.000 0.982 310 E CA 0.811 57.195 56.400 -0.025 0.000 0.809 310 E CB -0.080 29.599 29.700 -0.034 0.000 0.756 310 E HN 0.151 nan 8.360 nan 0.000 0.459 311 V N 0.727 120.639 119.914 -0.003 0.000 2.332 311 V HA -0.271 3.849 4.120 -0.000 0.000 0.248 311 V C 2.380 178.561 176.094 0.146 0.000 1.055 311 V CA 1.700 64.028 62.300 0.047 0.000 1.038 311 V CB -0.466 31.422 31.823 0.108 0.000 0.651 311 V HN 0.312 nan 8.190 nan 0.000 0.450 312 L N -0.670 120.597 121.223 0.072 0.000 2.083 312 L HA -0.209 4.131 4.340 -0.000 0.000 0.209 312 L C 2.564 179.479 176.870 0.075 0.000 1.083 312 L CA 1.697 56.570 54.840 0.055 0.000 0.752 312 L CB -0.605 41.434 42.059 -0.033 0.000 0.899 312 L HN 0.299 nan 8.230 nan 0.000 0.433 313 K N -0.471 119.947 120.400 0.030 0.000 2.057 313 K HA -0.114 4.206 4.320 -0.000 0.000 0.206 313 K C 2.056 178.656 176.600 -0.000 0.000 1.050 313 K CA 1.015 57.309 56.287 0.013 0.000 0.935 313 K CB -0.205 32.292 32.500 -0.004 0.000 0.715 313 K HN 0.077 nan 8.250 nan 0.000 0.439 314 V N 0.907 120.790 119.914 -0.050 0.000 2.343 314 V HA -0.227 3.893 4.120 -0.000 0.000 0.247 314 V C 1.909 177.924 176.094 -0.132 0.000 1.051 314 V CA 1.648 63.852 62.300 -0.160 0.000 1.036 314 V CB -0.495 31.075 31.823 -0.422 0.000 0.654 314 V HN 0.174 nan 8.190 nan 0.000 0.451 315 F N 0.056 119.939 119.950 -0.111 0.000 2.126 315 F HA -0.164 4.363 4.527 -0.000 0.000 0.299 315 F C 2.581 178.343 175.800 -0.063 0.000 1.096 315 F CA 1.895 59.843 58.000 -0.087 0.000 1.255 315 F CB -0.155 38.786 39.000 -0.097 0.000 0.997 315 F HN 0.112 nan 8.300 nan 0.000 0.479 316 E N 0.200 120.473 120.200 0.121 0.000 2.028 316 E HA -0.183 4.167 4.350 -0.000 0.000 0.190 316 E C 2.202 178.814 176.600 0.021 0.000 0.984 316 E CA 1.212 57.648 56.400 0.059 0.000 0.800 316 E CB -0.467 29.256 29.700 0.039 0.000 0.758 316 E HN 0.473 nan 8.360 nan 0.000 0.448 317 Q N 0.121 119.924 119.800 0.005 0.000 2.170 317 Q HA -0.132 4.208 4.340 -0.000 0.000 0.203 317 Q C 1.275 177.269 176.000 -0.010 0.000 0.976 317 Q CA 1.290 57.092 55.803 -0.002 0.000 0.858 317 Q CB 0.033 28.770 28.738 -0.002 0.000 0.907 317 Q HN 0.305 nan 8.270 nan 0.000 0.433 318 E N -0.045 120.134 120.200 -0.035 0.000 2.465 318 E HA 0.069 4.419 4.350 -0.000 0.000 0.195 318 E C -0.379 176.189 176.600 -0.054 0.000 1.028 318 E CA -0.286 56.087 56.400 -0.044 0.000 0.899 318 E CB 0.073 29.738 29.700 -0.058 0.000 1.032 318 E HN 0.309 nan 8.360 nan 0.000 0.468 319 N N 1.350 120.032 118.700 -0.031 0.000 2.735 319 N HA -0.202 4.538 4.740 -0.000 0.000 0.248 319 N C 0.724 176.215 175.510 -0.031 0.000 1.083 319 N CA -0.234 52.809 53.050 -0.013 0.000 0.703 319 N CB -0.726 37.754 38.487 -0.010 0.000 1.005 319 N HN 0.275 nan 8.380 nan 0.000 0.550 320 L N -0.033 121.139 121.223 -0.086 0.000 2.191 320 L HA -0.155 4.184 4.340 -0.000 0.000 0.212 320 L C 2.333 179.221 176.870 0.029 0.000 1.103 320 L CA 1.001 55.742 54.840 -0.164 0.000 0.769 320 L CB -0.272 41.379 42.059 -0.681 0.000 0.908 320 L HN 0.377 nan 8.230 nan 0.000 0.438 321 L N -0.607 120.711 121.223 0.158 0.000 2.056 321 L HA -0.206 4.134 4.340 -0.000 0.000 0.207 321 L C 2.670 179.570 176.870 0.050 0.000 1.078 321 L CA 0.931 55.849 54.840 0.131 0.000 0.749 321 L CB -0.426 41.691 42.059 0.098 0.000 0.901 321 L HN 0.266 nan 8.230 nan 0.000 0.433 322 Q N 0.841 120.660 119.800 0.031 0.000 2.119 322 Q HA -0.187 4.153 4.340 -0.000 0.000 0.201 322 Q C 2.062 178.063 176.000 0.001 0.000 0.972 322 Q CA 1.678 57.488 55.803 0.012 0.000 0.847 322 Q CB -0.005 28.737 28.738 0.007 0.000 0.903 322 Q HN 0.280 nan 8.270 nan 0.000 0.433 323 K N -0.470 119.925 120.400 -0.009 0.000 2.097 323 K HA -0.056 4.264 4.320 -0.000 0.000 0.206 323 K C 2.013 178.600 176.600 -0.021 0.000 1.049 323 K CA 1.041 57.314 56.287 -0.023 0.000 0.933 323 K CB -0.246 32.226 32.500 -0.046 0.000 0.717 323 K HN 0.290 nan 8.250 nan 0.000 0.442 324 A N 1.662 124.476 122.820 -0.009 0.000 1.902 324 A HA -0.224 4.096 4.320 -0.000 0.000 0.217 324 A C 1.722 179.299 177.584 -0.011 0.000 1.181 324 A CA 1.854 53.886 52.037 -0.008 0.000 0.623 324 A CB -0.691 18.322 19.000 0.022 0.000 0.818 324 A HN 0.366 nan 8.150 nan 0.000 0.443 325 N N -0.228 118.469 118.700 -0.004 0.000 2.142 325 N HA -0.129 4.611 4.740 -0.000 0.000 0.186 325 N C 1.096 176.603 175.510 -0.005 0.000 1.023 325 N CA 1.211 54.259 53.050 -0.004 0.000 0.852 325 N CB -0.156 38.331 38.487 -0.000 0.000 0.998 325 N HN 0.404 nan 8.380 nan 0.000 0.424 326 D N 0.853 121.249 120.400 -0.006 0.000 2.117 326 D HA -0.119 4.520 4.640 -0.000 0.000 0.197 326 D C 1.991 178.286 176.300 -0.009 0.000 0.987 326 D CA 0.555 54.551 54.000 -0.005 0.000 0.829 326 D CB -0.370 40.427 40.800 -0.006 0.000 0.961 326 D HN 0.141 nan 8.370 nan 0.000 0.460 327 L N 1.079 122.291 121.223 -0.018 0.000 2.017 327 L HA -0.017 4.323 4.340 -0.000 0.000 0.208 327 L C 2.175 179.032 176.870 -0.023 0.000 1.073 327 L CA 2.234 57.058 54.840 -0.027 0.000 0.745 327 L CB -1.020 41.009 42.059 -0.050 0.000 0.894 327 L HN 0.047 nan 8.230 nan 0.000 0.432 328 G N -1.402 107.386 108.800 -0.019 0.000 2.440 328 G HA2 -0.350 3.610 3.960 -0.000 0.000 0.218 328 G HA3 -0.350 3.610 3.960 -0.000 0.000 0.218 328 G C 1.512 176.412 174.900 0.000 0.000 1.154 328 G CA 0.880 45.974 45.100 -0.010 0.000 0.767 328 G HN 0.478 nan 8.290 nan 0.000 0.552 329 Q N 0.544 120.344 119.800 0.001 0.000 2.046 329 Q HA 0.011 4.351 4.340 -0.000 0.000 0.200 329 Q C 2.522 178.527 176.000 0.008 0.000 0.975 329 Q CA 1.594 57.401 55.803 0.006 0.000 0.836 329 Q CB -0.215 28.526 28.738 0.005 0.000 0.896 329 Q HN 0.487 nan 8.270 nan 0.000 0.428 330 K N -0.346 120.058 120.400 0.007 0.000 2.026 330 K HA -0.119 4.200 4.320 -0.000 0.000 0.208 330 K C 2.128 178.740 176.600 0.021 0.000 1.048 330 K CA 1.411 57.707 56.287 0.014 0.000 0.929 330 K CB -0.251 32.257 32.500 0.014 0.000 0.713 330 K HN 0.217 nan 8.250 nan 0.000 0.439 331 L N 1.202 122.436 121.223 0.018 0.000 2.017 331 L HA -0.217 4.123 4.340 -0.000 0.000 0.208 331 L C 2.375 179.261 176.870 0.026 0.000 1.073 331 L CA 1.459 56.317 54.840 0.030 0.000 0.745 331 L CB -0.373 41.695 42.059 0.016 0.000 0.894 331 L HN 0.145 nan 8.230 nan 0.000 0.432 332 K N -0.252 120.159 120.400 0.018 0.000 2.097 332 K HA -0.172 4.147 4.320 -0.000 0.000 0.206 332 K C 1.714 178.320 176.600 0.011 0.000 1.049 332 K CA 1.423 57.718 56.287 0.015 0.000 0.933 332 K CB -0.196 32.314 32.500 0.015 0.000 0.717 332 K HN 0.285 nan 8.250 nan 0.000 0.442 333 D N 0.119 120.526 120.400 0.013 0.000 2.117 333 D HA -0.104 4.536 4.640 -0.000 0.000 0.197 333 D C 1.957 178.263 176.300 0.010 0.000 0.987 333 D CA 1.291 55.297 54.000 0.011 0.000 0.829 333 D CB -0.434 40.373 40.800 0.012 0.000 0.961 333 D HN 0.338 nan 8.370 nan 0.000 0.460 334 G N 0.545 109.355 108.800 0.017 0.000 2.402 334 G HA2 -0.163 3.796 3.960 -0.000 0.000 0.216 334 G HA3 -0.163 3.796 3.960 -0.000 0.000 0.216 334 G C 1.779 176.683 174.900 0.005 0.000 1.162 334 G CA 0.220 45.332 45.100 0.019 0.000 0.777 334 G HN 0.245 nan 8.290 nan 0.000 0.539 335 L N -0.162 121.062 121.223 0.000 0.000 2.093 335 L HA 0.080 4.420 4.340 -0.000 0.000 0.208 335 L C 2.809 179.649 176.870 -0.050 0.000 1.085 335 L CA 0.325 55.146 54.840 -0.032 0.000 0.755 335 L CB -0.309 41.737 42.059 -0.022 0.000 0.904 335 L HN 0.157 nan 8.230 nan 0.000 0.435 336 L N -0.403 120.805 121.223 -0.024 0.000 2.093 336 L HA -0.171 4.168 4.340 -0.000 0.000 0.208 336 L C 2.837 179.695 176.870 -0.020 0.000 1.085 336 L CA 1.039 55.867 54.840 -0.020 0.000 0.755 336 L CB -0.606 41.450 42.059 -0.004 0.000 0.904 336 L HN 0.240 nan 8.230 nan 0.000 0.435 337 A N 0.143 122.955 122.820 -0.013 0.000 1.930 337 A HA -0.152 4.168 4.320 -0.000 0.000 0.217 337 A C 2.186 179.765 177.584 -0.007 0.000 1.175 337 A CA 1.363 53.397 52.037 -0.006 0.000 0.627 337 A CB -0.568 18.434 19.000 0.003 0.000 0.815 337 A HN 0.363 nan 8.150 nan 0.000 0.443 338 I N -0.281 120.275 120.570 -0.023 0.000 2.315 338 I HA -0.220 3.950 4.170 -0.000 0.000 0.248 338 I C 2.831 178.937 176.117 -0.020 0.000 1.117 338 I CA 0.914 62.204 61.300 -0.017 0.000 1.404 338 I CB -0.246 37.682 38.000 -0.121 0.000 1.071 338 I HN 0.333 nan 8.210 nan 0.000 0.419 339 A N 0.399 123.170 122.820 -0.081 0.000 2.070 339 A HA -0.191 4.128 4.320 -0.000 0.000 0.220 339 A C 2.102 179.673 177.584 -0.023 0.000 1.159 339 A CA 1.352 53.349 52.037 -0.066 0.000 0.656 339 A CB -0.535 18.427 19.000 -0.063 0.000 0.800 339 A HN 0.466 nan 8.150 nan 0.000 0.453 340 E N -0.248 119.939 120.200 -0.023 0.000 2.268 340 E HA -0.129 4.221 4.350 -0.000 0.000 0.195 340 E C 1.370 177.933 176.600 -0.062 0.000 0.995 340 E CA 1.054 57.437 56.400 -0.028 0.000 0.836 340 E CB -0.047 29.641 29.700 -0.021 0.000 0.763 340 E HN 0.612 nan 8.360 nan 0.000 0.491 341 K N -0.184 120.155 120.400 -0.102 0.000 2.353 341 K HA 0.114 4.434 4.320 -0.000 0.000 0.195 341 K C -0.004 176.273 176.600 -0.539 0.000 1.031 341 K CA 0.182 56.297 56.287 -0.286 0.000 1.079 341 K CB 0.674 32.978 32.500 -0.327 0.000 0.857 341 K HN 0.093 nan 8.250 nan 0.000 0.535 342 H N 0.169 119.215 119.070 -0.041 0.000 2.917 342 H HA 0.146 4.702 4.556 -0.000 0.000 0.279 342 H C -2.365 172.952 175.328 -0.019 0.000 1.211 342 H CA -1.843 54.192 56.048 -0.022 0.000 1.534 342 H CB 1.667 31.385 29.762 -0.073 0.000 1.581 342 H HN -0.130 nan 8.280 nan 0.000 0.510 343 P HA -0.171 nan 4.420 nan 0.000 0.218 343 P C 1.186 178.568 177.300 0.136 0.000 1.146 343 P CA 1.162 64.318 63.100 0.092 0.000 0.813 343 P CB 0.555 32.301 31.700 0.076 0.000 0.778 344 E N -0.522 119.777 120.200 0.165 0.000 2.209 344 E HA -0.101 4.249 4.350 -0.000 0.000 0.196 344 E C 0.665 177.335 176.600 0.117 0.000 0.993 344 E CA 0.542 57.050 56.400 0.181 0.000 0.819 344 E CB -0.713 29.120 29.700 0.221 0.000 0.745 344 E HN 0.319 nan 8.360 nan 0.000 0.477 345 I N 1.116 121.712 120.570 0.044 0.000 2.389 345 I HA 0.019 4.189 4.170 -0.000 0.000 0.295 345 I C 1.353 177.485 176.117 0.024 0.000 1.117 345 I CA -0.039 61.231 61.300 -0.050 0.000 1.317 345 I CB 0.843 38.739 38.000 -0.172 0.000 1.431 345 I HN 0.087 nan 8.210 nan 0.000 0.521 346 G N 4.157 112.970 108.800 0.023 0.000 2.838 346 G HA2 -0.009 3.951 3.960 -0.000 0.000 0.210 346 G HA3 -0.009 3.951 3.960 -0.000 0.000 0.210 346 G C 0.011 175.032 174.900 0.201 0.000 1.153 346 G CA 0.215 45.480 45.100 0.275 0.000 0.778 346 G HN 0.586 nan 8.290 nan 0.000 0.539 347 D N -1.104 119.317 120.400 0.034 0.000 2.769 347 D HA 0.407 5.047 4.640 -0.000 0.000 0.219 347 D C -1.360 174.937 176.300 -0.005 0.000 1.245 347 D CA -0.357 53.668 54.000 0.042 0.000 0.801 347 D CB 2.093 42.931 40.800 0.063 0.000 1.598 347 D HN -0.120 nan 8.370 nan 0.000 0.485 348 V N 4.038 123.959 119.914 0.013 0.000 2.483 348 V HA 0.763 4.882 4.120 -0.000 0.000 0.297 348 V C -0.131 175.978 176.094 0.025 0.000 1.027 348 V CA -0.554 61.747 62.300 0.003 0.000 0.855 348 V CB 1.508 33.329 31.823 -0.002 0.000 0.995 348 V HN 0.698 nan 8.190 nan 0.000 0.424 349 R N 3.030 123.549 120.500 0.032 0.000 2.766 349 R HA 0.947 5.287 4.340 -0.000 0.000 0.270 349 R C -0.378 175.958 176.300 0.061 0.000 1.035 349 R CA -0.607 55.523 56.100 0.049 0.000 0.911 349 R CB 2.202 32.541 30.300 0.066 0.000 1.243 349 R HN 1.268 nan 8.270 nan 0.000 0.460 350 G N 0.488 109.320 108.800 0.052 0.000 2.307 350 G HA2 0.197 4.157 3.960 -0.000 0.000 0.348 350 G HA3 0.197 4.157 3.960 -0.000 0.000 0.348 350 G C -1.604 173.301 174.900 0.008 0.000 1.603 350 G CA -1.077 44.046 45.100 0.037 0.000 0.961 350 G HN 0.391 nan 8.290 nan 0.000 0.686 351 L N 1.990 123.198 121.223 -0.024 0.000 2.289 351 L HA 0.596 4.936 4.340 -0.000 0.000 0.285 351 L C 1.630 178.476 176.870 -0.040 0.000 1.049 351 L CA 0.645 55.469 54.840 -0.027 0.000 0.804 351 L CB 0.990 43.028 42.059 -0.036 0.000 1.195 351 L HN 1.841 nan 8.230 nan 0.000 0.428 352 G N 3.096 111.882 108.800 -0.024 0.000 2.622 352 G HA2 -0.381 3.578 3.960 -0.000 0.000 0.307 352 G HA3 -0.381 3.578 3.960 -0.000 0.000 0.307 352 G C 0.543 175.429 174.900 -0.024 0.000 1.226 352 G CA 0.435 45.520 45.100 -0.024 0.000 0.997 352 G HN 0.920 nan 8.290 nan 0.000 0.551 353 A N -0.727 122.074 122.820 -0.032 0.000 2.545 353 A HA 0.689 5.008 4.320 -0.000 0.000 0.277 353 A C 1.090 178.664 177.584 -0.017 0.000 1.301 353 A CA 1.028 53.047 52.037 -0.029 0.000 0.935 353 A CB -0.041 18.935 19.000 -0.041 0.000 1.093 353 A HN 0.869 nan 8.150 nan 0.000 0.519 354 M N 2.014 121.584 119.600 -0.051 0.000 3.347 354 M HA 0.322 4.801 4.480 -0.000 0.000 0.260 354 M C -1.331 175.022 176.300 0.087 0.000 1.362 354 M CA -0.094 55.135 55.300 -0.118 0.000 1.497 354 M CB -0.343 32.014 32.600 -0.405 0.000 1.080 354 M HN 0.086 nan 8.290 nan 0.000 0.592 355 I N 2.282 123.003 120.570 0.252 0.000 2.437 355 I HA 0.738 4.908 4.170 -0.000 0.000 0.298 355 I C 0.118 176.369 176.117 0.223 0.000 0.984 355 I CA -0.553 60.873 61.300 0.210 0.000 1.214 355 I CB 1.041 39.090 38.000 0.082 0.000 1.365 355 I HN 0.585 nan 8.210 nan 0.000 0.469 356 A N 6.876 129.770 122.820 0.124 0.000 2.594 356 A HA 0.906 5.226 4.320 -0.000 0.000 0.291 356 A C -0.942 176.615 177.584 -0.045 0.000 1.105 356 A CA -0.565 51.446 52.037 -0.043 0.000 0.694 356 A CB 2.242 21.150 19.000 -0.153 0.000 1.291 356 A HN 0.680 nan 8.150 nan 0.000 0.410 357 I N -2.064 118.455 120.570 -0.084 0.000 2.828 357 I HA 0.838 5.008 4.170 -0.000 0.000 0.302 357 I C -0.686 175.354 176.117 -0.129 0.000 1.101 357 I CA -0.583 60.669 61.300 -0.081 0.000 1.031 357 I CB 2.226 40.188 38.000 -0.063 0.000 1.231 357 I HN 0.750 nan 8.210 nan 0.000 0.427 358 E N 5.187 125.277 120.200 -0.183 0.000 2.187 358 E HA 0.595 4.945 4.350 -0.000 0.000 0.268 358 E C -1.702 174.586 176.600 -0.519 0.000 0.896 358 E CA -0.792 55.417 56.400 -0.319 0.000 0.766 358 E CB 1.981 31.489 29.700 -0.319 0.000 1.142 358 E HN 0.668 nan 8.360 nan 0.000 0.408 359 L N 4.993 125.962 121.223 -0.422 0.000 2.309 359 L HA 0.534 4.874 4.340 -0.000 0.000 0.282 359 L C -0.679 175.962 176.870 -0.381 0.000 1.036 359 L CA -0.689 53.967 54.840 -0.307 0.000 0.806 359 L CB 0.744 42.786 42.059 -0.030 0.000 1.220 359 L HN 0.552 nan 8.230 nan 0.000 0.429 360 F N 0.132 120.160 119.950 0.129 0.000 2.551 360 F HA 0.342 4.869 4.527 -0.000 0.000 0.316 360 F C 0.333 176.195 175.800 0.104 0.000 1.089 360 F CA -0.998 57.075 58.000 0.123 0.000 0.915 360 F CB 1.956 41.047 39.000 0.152 0.000 1.186 360 F HN 0.438 nan 8.300 nan 0.000 0.456 361 E N 1.464 121.836 120.200 0.286 0.000 2.324 361 E HA 0.045 4.395 4.350 -0.000 0.000 0.271 361 E C -0.872 175.824 176.600 0.159 0.000 1.028 361 E CA 0.226 56.732 56.400 0.175 0.000 0.890 361 E CB 0.264 30.038 29.700 0.123 0.000 1.004 361 E HN 0.548 nan 8.360 nan 0.000 0.431 362 D N 2.532 123.012 120.400 0.135 0.000 2.751 362 D HA -0.182 4.458 4.640 -0.000 0.000 0.233 362 D C 0.691 177.060 176.300 0.115 0.000 1.149 362 D CA 1.325 55.387 54.000 0.103 0.000 0.682 362 D CB -1.407 39.432 40.800 0.064 0.000 1.068 362 D HN 0.899 nan 8.370 nan 0.000 0.429 363 G N 0.326 109.243 108.800 0.194 0.000 2.361 363 G HA2 -0.342 3.618 3.960 -0.000 0.000 0.294 363 G HA3 -0.342 3.618 3.960 -0.000 0.000 0.294 363 G C -0.207 174.765 174.900 0.119 0.000 1.004 363 G CA 0.412 45.654 45.100 0.236 0.000 0.870 363 G HN 0.602 nan 8.290 nan 0.000 0.510 364 D N -0.795 119.652 120.400 0.078 0.000 2.373 364 D HA 0.283 4.923 4.640 -0.000 0.000 0.227 364 D C 1.483 177.586 176.300 -0.329 0.000 1.091 364 D CA -0.626 53.310 54.000 -0.107 0.000 0.840 364 D CB 0.169 40.941 40.800 -0.046 0.000 1.060 364 D HN 0.502 nan 8.370 nan 0.000 0.502 365 H N 2.485 121.123 119.070 -0.720 0.000 2.496 365 H HA -0.159 4.397 4.556 -0.000 0.000 0.296 365 H C 0.658 175.669 175.328 -0.529 0.000 1.107 365 H CA 1.023 56.396 56.048 -1.124 0.000 1.263 365 H CB 0.426 29.797 29.762 -0.652 0.000 1.369 365 H HN 0.414 nan 8.280 nan 0.000 0.541 366 N N 0.143 118.749 118.700 -0.156 0.000 2.336 366 N HA 0.023 4.762 4.740 -0.000 0.000 0.189 366 N C -0.337 175.139 175.510 -0.057 0.000 1.113 366 N CA 0.289 53.294 53.050 -0.074 0.000 0.858 366 N CB 0.543 38.993 38.487 -0.062 0.000 0.970 366 N HN 0.161 nan 8.380 nan 0.000 0.471 367 K N 1.209 121.605 120.400 -0.006 0.000 2.499 367 K HA 0.292 4.612 4.320 -0.000 0.000 0.215 367 K C -2.758 173.978 176.600 0.228 0.000 1.041 367 K CA -1.743 54.586 56.287 0.071 0.000 1.031 367 K CB 1.443 33.984 32.500 0.069 0.000 1.479 367 K HN -0.078 nan 8.250 nan 0.000 0.518 368 P HA -0.079 nan 4.420 nan 0.000 0.267 368 P C -0.652 176.765 177.300 0.196 0.000 1.205 368 P CA 0.037 63.306 63.100 0.283 0.000 0.765 368 P CB 0.500 32.290 31.700 0.149 0.000 0.828 369 D N 3.005 123.509 120.400 0.173 0.000 2.518 369 D HA 0.265 4.905 4.640 -0.000 0.000 0.230 369 D C 1.082 177.438 176.300 0.093 0.000 1.138 369 D CA -0.412 53.660 54.000 0.121 0.000 0.964 369 D CB 0.176 41.043 40.800 0.113 0.000 1.011 369 D HN 0.213 nan 8.370 nan 0.000 0.517 370 A N 3.586 126.477 122.820 0.119 0.000 1.969 370 A HA -0.137 4.183 4.320 -0.000 0.000 0.218 370 A C 2.027 179.644 177.584 0.055 0.000 1.169 370 A CA 1.077 53.189 52.037 0.124 0.000 0.635 370 A CB -0.020 19.102 19.000 0.204 0.000 0.810 370 A HN 0.422 nan 8.150 nan 0.000 0.445 371 K N -0.896 119.529 120.400 0.040 0.000 2.025 371 K HA -0.051 4.269 4.320 -0.000 0.000 0.207 371 K C 1.904 178.494 176.600 -0.018 0.000 1.049 371 K CA 1.249 57.539 56.287 0.005 0.000 0.933 371 K CB -0.332 32.173 32.500 0.009 0.000 0.714 371 K HN 0.373 nan 8.250 nan 0.000 0.438 372 L N 1.476 122.693 121.223 -0.009 0.000 2.046 372 L HA -0.166 4.174 4.340 -0.000 0.000 0.208 372 L C 1.954 178.767 176.870 -0.094 0.000 1.077 372 L CA 1.953 56.763 54.840 -0.049 0.000 0.747 372 L CB -0.828 41.226 42.059 -0.009 0.000 0.896 372 L HN 0.128 nan 8.230 nan 0.000 0.432 373 T N 0.040 114.566 114.554 -0.046 0.000 2.684 373 T HA -0.218 4.132 4.350 -0.000 0.000 0.267 373 T C 1.894 176.549 174.700 -0.076 0.000 1.036 373 T CA 1.617 63.685 62.100 -0.054 0.000 1.148 373 T CB -0.643 68.220 68.868 -0.008 0.000 0.863 373 T HN 0.541 nan 8.240 nan 0.000 0.436 374 A N 1.053 123.838 122.820 -0.058 0.000 1.972 374 A HA -0.119 4.201 4.320 -0.000 0.000 0.219 374 A C 2.198 179.729 177.584 -0.088 0.000 1.169 374 A CA 1.874 53.868 52.037 -0.072 0.000 0.635 374 A CB -0.572 18.388 19.000 -0.067 0.000 0.810 374 A HN 0.641 nan 8.150 nan 0.000 0.446 375 E N -0.270 119.870 120.200 -0.100 0.000 2.072 375 E HA -0.156 4.194 4.350 -0.000 0.000 0.191 375 E C 1.755 178.258 176.600 -0.161 0.000 0.985 375 E CA 1.122 57.452 56.400 -0.116 0.000 0.801 375 E CB -0.108 29.521 29.700 -0.119 0.000 0.750 375 E HN 0.487 nan 8.360 nan 0.000 0.452 376 I N 0.952 121.384 120.570 -0.229 0.000 2.226 376 I HA -0.213 3.957 4.170 -0.000 0.000 0.245 376 I C 2.471 178.492 176.117 -0.159 0.000 1.100 376 I CA 0.783 61.905 61.300 -0.297 0.000 1.374 376 I CB -1.102 36.630 38.000 -0.446 0.000 1.057 376 I HN 0.109 nan 8.210 nan 0.000 0.413 377 V N 1.421 121.274 119.914 -0.102 0.000 2.343 377 V HA -0.264 3.856 4.120 -0.000 0.000 0.247 377 V C 2.827 178.922 176.094 0.003 0.000 1.051 377 V CA 1.875 64.159 62.300 -0.028 0.000 1.036 377 V CB -1.123 30.683 31.823 -0.030 0.000 0.654 377 V HN 0.459 nan 8.190 nan 0.000 0.451 378 A N -0.191 122.610 122.820 -0.032 0.000 1.898 378 A HA -0.200 4.120 4.320 -0.000 0.000 0.216 378 A C 2.378 179.949 177.584 -0.021 0.000 1.181 378 A CA 1.714 53.744 52.037 -0.012 0.000 0.620 378 A CB -0.467 18.512 19.000 -0.034 0.000 0.819 378 A HN 0.498 nan 8.150 nan 0.000 0.442 379 R N -0.537 119.926 120.500 -0.062 0.000 2.081 379 R HA -0.054 4.285 4.340 -0.000 0.000 0.235 379 R C 2.483 178.746 176.300 -0.062 0.000 1.131 379 R CA 1.149 57.207 56.100 -0.069 0.000 0.960 379 R CB -0.456 29.780 30.300 -0.107 0.000 0.856 379 R HN 0.509 nan 8.270 nan 0.000 0.436 380 A N 1.294 124.072 122.820 -0.071 0.000 1.902 380 A HA -0.185 4.135 4.320 -0.000 0.000 0.217 380 A C 2.135 179.690 177.584 -0.048 0.000 1.181 380 A CA 1.166 53.159 52.037 -0.074 0.000 0.623 380 A CB -0.488 18.465 19.000 -0.080 0.000 0.818 380 A HN 0.132 nan 8.150 nan 0.000 0.443 381 R N -0.093 120.404 120.500 -0.006 0.000 2.081 381 R HA -0.161 4.179 4.340 -0.000 0.000 0.235 381 R C 1.080 177.416 176.300 0.059 0.000 1.131 381 R CA 1.894 58.013 56.100 0.031 0.000 0.960 381 R CB -0.587 29.760 30.300 0.078 0.000 0.856 381 R HN 0.456 nan 8.270 nan 0.000 0.436 382 D N 0.458 120.870 120.400 0.020 0.000 2.263 382 D HA -0.102 4.538 4.640 -0.000 0.000 0.208 382 D C 0.995 177.271 176.300 -0.039 0.000 0.971 382 D CA 1.130 55.131 54.000 0.002 0.000 0.867 382 D CB 0.067 40.861 40.800 -0.010 0.000 0.929 382 D HN 0.255 nan 8.370 nan 0.000 0.492 383 K N -0.595 119.772 120.400 -0.056 0.000 2.410 383 K HA 0.250 4.570 4.320 -0.000 0.000 0.200 383 K C 0.824 177.346 176.600 -0.129 0.000 1.023 383 K CA 0.218 56.452 56.287 -0.088 0.000 1.149 383 K CB 0.872 33.322 32.500 -0.084 0.000 0.859 383 K HN 0.053 nan 8.250 nan 0.000 0.514 384 G N 1.787 110.510 108.800 -0.128 0.000 2.160 384 G HA2 -0.238 3.721 3.960 -0.000 0.000 0.244 384 G HA3 -0.238 3.721 3.960 -0.000 0.000 0.244 384 G C -0.523 174.327 174.900 -0.083 0.000 1.022 384 G CA -0.097 44.877 45.100 -0.210 0.000 0.741 384 G HN 0.219 nan 8.290 nan 0.000 0.508 385 L N 1.125 122.305 121.223 -0.070 0.000 2.356 385 L HA 0.746 5.086 4.340 -0.000 0.000 0.277 385 L C -0.255 176.533 176.870 -0.137 0.000 0.996 385 L CA -1.369 53.369 54.840 -0.169 0.000 0.822 385 L CB 1.130 43.020 42.059 -0.282 0.000 1.256 385 L HN 0.053 nan 8.230 nan 0.000 0.413 386 I N 6.705 127.185 120.570 -0.150 0.000 2.304 386 I HA 0.358 4.527 4.170 -0.000 0.000 0.291 386 I C -0.167 175.925 176.117 -0.041 0.000 1.018 386 I CA -0.128 61.025 61.300 -0.244 0.000 1.260 386 I CB 0.773 38.595 38.000 -0.298 0.000 1.390 386 I HN 0.580 nan 8.210 nan 0.000 0.475 387 L N 6.614 127.862 121.223 0.042 0.000 2.301 387 L HA 0.652 4.992 4.340 -0.000 0.000 0.264 387 L C -0.538 176.423 176.870 0.152 0.000 1.016 387 L CA -0.823 54.084 54.840 0.112 0.000 0.821 387 L CB 2.726 44.825 42.059 0.067 0.000 1.346 387 L HN 0.321 nan 8.230 nan 0.000 0.429 388 L N 0.138 121.390 121.223 0.047 0.000 2.354 388 L HA 0.603 4.943 4.340 -0.000 0.000 0.264 388 L C -0.198 176.622 176.870 -0.084 0.000 1.008 388 L CA -0.415 54.413 54.840 -0.020 0.000 0.819 388 L CB 2.392 44.423 42.059 -0.048 0.000 1.339 388 L HN 0.749 nan 8.230 nan 0.000 0.420 389 S N -0.146 115.498 115.700 -0.094 0.000 2.766 389 S HA 0.880 5.349 4.470 -0.000 0.000 0.307 389 S C -0.341 174.181 174.600 -0.129 0.000 1.121 389 S CA -0.488 57.647 58.200 -0.109 0.000 0.980 389 S CB 2.032 65.200 63.200 -0.054 0.000 1.159 389 S HN 0.930 nan 8.310 nan 0.000 0.546 390 C N -2.520 116.699 119.300 -0.136 0.000 3.266 390 C HA 0.973 5.433 4.460 -0.000 0.000 0.369 390 C C 0.237 175.151 174.990 -0.127 0.000 1.580 390 C CA -0.127 58.812 59.018 -0.131 0.000 1.165 390 C CB 0.187 27.794 27.740 -0.221 0.000 1.835 390 C HN 2.599 nan 8.230 nan 0.000 0.433 391 G N 0.875 109.592 108.800 -0.138 0.000 2.788 391 G HA2 0.152 4.112 3.960 -0.000 0.000 0.686 391 G HA3 0.152 4.112 3.960 -0.000 0.000 0.686 391 G C -1.736 172.963 174.900 -0.335 0.000 1.147 391 G CA 0.011 45.017 45.100 -0.156 0.000 0.755 391 G HN 0.842 nan 8.290 nan 0.000 0.634 392 P HA -0.106 nan 4.420 nan 0.000 0.222 392 P C 0.769 177.282 177.300 -1.313 0.000 1.147 392 P CA 1.496 64.144 63.100 -0.753 0.000 0.790 392 P CB 0.019 31.302 31.700 -0.694 0.000 0.780 393 Y N -2.312 117.639 120.300 -0.582 0.000 2.555 393 Y HA 0.211 4.761 4.550 -0.000 0.000 0.259 393 Y C 0.313 175.956 175.900 -0.428 0.000 1.179 393 Y CA -0.647 57.129 58.100 -0.541 0.000 1.230 393 Y CB -0.632 37.726 38.460 -0.170 0.000 1.146 393 Y HN -0.200 nan 8.280 nan 0.000 0.526 394 Y N 0.113 120.427 120.300 0.025 0.000 3.721 394 Y HA -0.335 4.214 4.550 -0.000 0.000 0.218 394 Y C 0.536 176.435 175.900 -0.001 0.000 1.188 394 Y CA 0.574 58.666 58.100 -0.013 0.000 1.607 394 Y CB -2.264 36.181 38.460 -0.024 0.000 1.496 394 Y HN 0.471 nan 8.280 nan 0.000 0.626 395 N N -1.073 117.667 118.700 0.067 0.000 2.351 395 N HA 0.308 5.048 4.740 -0.000 0.000 0.254 395 N C -0.817 174.661 175.510 -0.054 0.000 1.241 395 N CA 0.039 53.108 53.050 0.032 0.000 0.883 395 N CB 0.408 38.933 38.487 0.064 0.000 1.202 395 N HN 0.159 nan 8.380 nan 0.000 0.512 396 V N 1.276 121.142 119.914 -0.080 0.000 2.448 396 V HA 0.447 4.567 4.120 -0.000 0.000 0.295 396 V C -0.106 175.887 176.094 -0.169 0.000 1.025 396 V CA -0.764 61.443 62.300 -0.154 0.000 0.859 396 V CB 2.182 33.870 31.823 -0.226 0.000 0.988 396 V HN 0.141 nan 8.190 nan 0.000 0.431 397 L N 6.242 127.373 121.223 -0.154 0.000 2.282 397 L HA 0.665 5.005 4.340 -0.000 0.000 0.288 397 L C 0.310 177.043 176.870 -0.228 0.000 1.033 397 L CA -0.424 54.336 54.840 -0.134 0.000 0.807 397 L CB 1.284 43.326 42.059 -0.029 0.000 1.209 397 L HN 0.750 nan 8.230 nan 0.000 0.423 398 R N 3.650 123.958 120.500 -0.321 0.000 2.832 398 R HA 0.805 5.145 4.340 -0.000 0.000 0.271 398 R C -1.124 175.053 176.300 -0.205 0.000 0.996 398 R CA -0.843 54.955 56.100 -0.504 0.000 0.977 398 R CB 1.874 31.473 30.300 -1.168 0.000 1.168 398 R HN 0.428 nan 8.270 nan 0.000 0.482 399 I N 2.757 123.272 120.570 -0.090 0.000 2.418 399 I HA 0.229 4.399 4.170 -0.000 0.000 0.287 399 I C -0.089 176.033 176.117 0.009 0.000 1.008 399 I CA -0.687 60.605 61.300 -0.014 0.000 1.104 399 I CB 1.916 39.904 38.000 -0.019 0.000 1.264 399 I HN 0.567 nan 8.210 nan 0.000 0.438 400 L N 7.178 128.385 121.223 -0.027 0.000 3.289 400 L HA 0.291 4.631 4.340 -0.000 0.000 0.291 400 L C 0.176 176.988 176.870 -0.096 0.000 1.279 400 L CA -0.220 54.616 54.840 -0.006 0.000 1.025 400 L CB 1.165 43.257 42.059 0.055 0.000 1.413 400 L HN 0.377 nan 8.230 nan 0.000 0.593 401 V N 1.865 121.623 119.914 -0.260 0.000 2.901 401 V HA 0.115 4.235 4.120 -0.000 0.000 0.307 401 V C -1.725 174.256 176.094 -0.188 0.000 1.084 401 V CA -0.904 61.206 62.300 -0.316 0.000 1.184 401 V CB 1.043 32.360 31.823 -0.844 0.000 0.941 401 V HN 0.093 nan 8.190 nan 0.000 0.493 402 P HA 0.028 nan 4.420 nan 0.000 0.266 402 P C 0.707 177.949 177.300 -0.095 0.000 1.193 402 P CA 0.370 63.421 63.100 -0.081 0.000 0.770 402 P CB 0.318 31.993 31.700 -0.043 0.000 0.836 403 L N 1.558 122.726 121.223 -0.092 0.000 2.465 403 L HA -0.083 4.257 4.340 -0.000 0.000 0.224 403 L C 1.786 178.598 176.870 -0.097 0.000 1.145 403 L CA 1.365 56.143 54.840 -0.102 0.000 0.834 403 L CB -1.095 40.888 42.059 -0.127 0.000 0.944 403 L HN 0.472 nan 8.230 nan 0.000 0.451 404 T N -2.422 112.086 114.554 -0.078 0.000 3.148 404 T HA 0.092 4.442 4.350 -0.000 0.000 0.253 404 T C 0.858 175.544 174.700 -0.023 0.000 1.134 404 T CA -0.266 61.808 62.100 -0.044 0.000 1.051 404 T CB -0.289 68.577 68.868 -0.003 0.000 0.959 404 T HN 0.162 nan 8.240 nan 0.000 0.525 405 I N 2.211 122.764 120.570 -0.030 0.000 2.815 405 I HA 0.026 4.196 4.170 -0.000 0.000 0.291 405 I C 0.101 176.220 176.117 0.003 0.000 1.209 405 I CA -0.003 61.293 61.300 -0.006 0.000 1.431 405 I CB 0.553 38.540 38.000 -0.021 0.000 1.351 405 I HN 0.151 nan 8.210 nan 0.000 0.585 406 E N 5.930 126.143 120.200 0.021 0.000 2.318 406 E HA 0.065 4.415 4.350 -0.000 0.000 0.265 406 E C 0.509 177.125 176.600 0.027 0.000 1.069 406 E CA -0.403 56.008 56.400 0.019 0.000 0.893 406 E CB 0.767 30.481 29.700 0.022 0.000 1.076 406 E HN 0.558 nan 8.360 nan 0.000 0.414 407 D N 1.511 121.924 120.400 0.021 0.000 2.133 407 D HA -0.196 4.444 4.640 -0.000 0.000 0.195 407 D C 1.535 177.855 176.300 0.034 0.000 0.997 407 D CA 1.706 55.721 54.000 0.025 0.000 0.840 407 D CB 0.022 40.833 40.800 0.018 0.000 0.947 407 D HN 0.504 nan 8.370 nan 0.000 0.452 408 A N 0.798 123.637 122.820 0.030 0.000 1.902 408 A HA -0.232 4.088 4.320 -0.000 0.000 0.217 408 A C 2.153 179.762 177.584 0.041 0.000 1.181 408 A CA 1.522 53.577 52.037 0.030 0.000 0.623 408 A CB -0.470 18.544 19.000 0.023 0.000 0.818 408 A HN 0.089 nan 8.150 nan 0.000 0.443 409 Q N -0.272 119.561 119.800 0.056 0.000 2.230 409 Q HA 0.078 4.418 4.340 -0.000 0.000 0.202 409 Q C 1.831 177.920 176.000 0.149 0.000 0.963 409 Q CA 0.996 56.850 55.803 0.086 0.000 0.866 409 Q CB -0.421 28.377 28.738 0.101 0.000 0.931 409 Q HN 0.772 nan 8.270 nan 0.000 0.452 410 I N -0.030 120.620 120.570 0.132 0.000 2.179 410 I HA -0.311 3.859 4.170 -0.000 0.000 0.242 410 I C 2.156 178.354 176.117 0.135 0.000 1.088 410 I CA 1.229 62.628 61.300 0.165 0.000 1.357 410 I CB -0.214 37.837 38.000 0.084 0.000 1.051 410 I HN 0.164 nan 8.210 nan 0.000 0.409 411 R N 0.345 120.891 120.500 0.077 0.000 2.083 411 R HA -0.254 4.086 4.340 -0.000 0.000 0.237 411 R C 2.317 178.638 176.300 0.035 0.000 1.137 411 R CA 1.808 57.938 56.100 0.051 0.000 0.951 411 R CB -0.519 29.801 30.300 0.032 0.000 0.851 411 R HN 0.491 nan 8.270 nan 0.000 0.434 412 Q N 0.216 120.030 119.800 0.024 0.000 2.084 412 Q HA -0.140 4.200 4.340 -0.000 0.000 0.202 412 Q C 2.036 177.996 176.000 -0.066 0.000 0.978 412 Q CA 1.906 57.698 55.803 -0.018 0.000 0.844 412 Q CB -0.255 28.468 28.738 -0.024 0.000 0.898 412 Q HN 0.420 nan 8.270 nan 0.000 0.426 413 G N 0.975 109.731 108.800 -0.074 0.000 2.402 413 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.216 413 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.216 413 G C 1.404 176.239 174.900 -0.108 0.000 1.162 413 G CA 0.692 45.618 45.100 -0.291 0.000 0.777 413 G HN 0.318 nan 8.290 nan 0.000 0.539 414 L N -0.028 121.221 121.223 0.044 0.000 2.083 414 L HA -0.035 4.305 4.340 -0.000 0.000 0.209 414 L C 2.920 179.804 176.870 0.023 0.000 1.083 414 L CA 0.901 55.777 54.840 0.059 0.000 0.752 414 L CB -0.250 41.853 42.059 0.075 0.000 0.899 414 L HN 0.111 nan 8.230 nan 0.000 0.433 415 E N 0.497 120.700 120.200 0.005 0.000 2.051 415 E HA -0.195 4.155 4.350 -0.000 0.000 0.192 415 E C 2.256 178.849 176.600 -0.011 0.000 0.991 415 E CA 1.340 57.741 56.400 0.002 0.000 0.799 415 E CB -0.156 29.541 29.700 -0.006 0.000 0.748 415 E HN 0.470 nan 8.360 nan 0.000 0.449 416 I N 0.495 121.035 120.570 -0.051 0.000 2.226 416 I HA -0.284 3.886 4.170 -0.000 0.000 0.245 416 I C 2.418 178.512 176.117 -0.037 0.000 1.100 416 I CA 0.873 62.132 61.300 -0.069 0.000 1.374 416 I CB -0.228 37.690 38.000 -0.136 0.000 1.057 416 I HN 0.073 nan 8.210 nan 0.000 0.413 417 I N -0.244 120.316 120.570 -0.017 0.000 2.226 417 I HA -0.317 3.853 4.170 -0.000 0.000 0.245 417 I C 2.778 178.991 176.117 0.159 0.000 1.100 417 I CA 1.377 62.718 61.300 0.070 0.000 1.374 417 I CB -0.354 37.711 38.000 0.108 0.000 1.057 417 I HN 0.208 nan 8.210 nan 0.000 0.413 418 S N 0.306 116.069 115.700 0.104 0.000 2.370 418 S HA -0.278 4.192 4.470 -0.000 0.000 0.226 418 S C 2.024 176.693 174.600 0.115 0.000 1.033 418 S CA 1.740 60.009 58.200 0.114 0.000 1.011 418 S CB -0.174 63.070 63.200 0.074 0.000 0.852 418 S HN 0.445 nan 8.310 nan 0.000 0.457 419 Q N -0.344 119.492 119.800 0.061 0.000 2.084 419 Q HA -0.102 4.238 4.340 -0.000 0.000 0.202 419 Q C 2.589 178.595 176.000 0.010 0.000 0.978 419 Q CA 1.817 57.642 55.803 0.037 0.000 0.844 419 Q CB -0.450 28.291 28.738 0.005 0.000 0.898 419 Q HN 0.652 nan 8.270 nan 0.000 0.426 420 C N -0.190 119.092 119.300 -0.030 0.000 2.413 420 C HA -0.154 4.305 4.460 -0.000 0.000 0.276 420 C C 2.278 177.136 174.990 -0.219 0.000 1.248 420 C CA 0.589 59.526 59.018 -0.135 0.000 1.742 420 C CB -1.080 26.536 27.740 -0.207 0.000 2.017 420 C HN 0.436 nan 8.230 nan 0.000 0.481 421 F N 1.281 121.114 119.950 -0.196 0.000 2.146 421 F HA -0.101 4.426 4.527 -0.000 0.000 0.298 421 F C 2.220 177.881 175.800 -0.232 0.000 1.096 421 F CA 1.756 59.522 58.000 -0.390 0.000 1.275 421 F CB -0.510 37.968 39.000 -0.870 0.000 1.008 421 F HN 0.215 nan 8.300 nan 0.000 0.480 422 D N 0.165 120.640 120.400 0.126 0.000 2.097 422 D HA -0.153 4.487 4.640 -0.000 0.000 0.195 422 D C 1.979 178.351 176.300 0.120 0.000 0.989 422 D CA 1.330 55.472 54.000 0.237 0.000 0.827 422 D CB -0.455 40.457 40.800 0.186 0.000 0.966 422 D HN 0.380 nan 8.370 nan 0.000 0.456 423 E N 0.350 120.577 120.200 0.044 0.000 2.347 423 E HA 0.002 4.352 4.350 -0.000 0.000 0.196 423 E C 1.902 178.497 176.600 -0.009 0.000 1.008 423 E CA 0.556 56.963 56.400 0.011 0.000 0.852 423 E CB 0.081 29.773 29.700 -0.013 0.000 0.783 423 E HN 0.175 nan 8.360 nan 0.000 0.505 424 A N 2.142 124.940 122.820 -0.036 0.000 2.014 424 A HA -0.171 4.149 4.320 -0.000 0.000 0.218 424 A C 2.051 179.641 177.584 0.010 0.000 1.163 424 A CA 1.235 53.238 52.037 -0.057 0.000 0.652 424 A CB -0.254 18.652 19.000 -0.156 0.000 0.808 424 A HN 0.193 nan 8.150 nan 0.000 0.449 425 K N -0.348 120.094 120.400 0.070 0.000 2.361 425 K HA 0.105 4.425 4.320 -0.000 0.000 0.196 425 K C 0.815 177.453 176.600 0.064 0.000 1.039 425 K CA -0.033 56.310 56.287 0.095 0.000 1.001 425 K CB -0.081 32.522 32.500 0.171 0.000 0.795 425 K HN 0.531 nan 8.250 nan 0.000 0.495 426 Q N 0.000 119.831 119.800 0.052 0.000 2.315 426 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 426 Q CA 0.000 55.824 55.803 0.035 0.000 1.022 426 Q CB 0.000 28.755 28.738 0.029 0.000 1.108 426 Q HN 0.000 nan 8.270 nan 0.000 0.481