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 3e60_1_B DATA FIRST_RESID 1 DATA SEQUENCE MRRVVITGLG LVSPLAGDVE YSWKRLLEGK SGVRRITEFD VSDLSCQIAA DATA SEQUENCE RIPVGDGTNG TYNADLHMES KEQRKVDAFI VYAIAAADQA LADAEWFPKS DATA SEQUENCE DEDQICTGVL IGSGIGGIEG IVEAGYTLRD KGPRRISPFF IPGRLINLAS DATA SEQUENCE GYVSIKYGLR GPNHSVVTAC STGAHAIGDA ARLIALGDAD VMLAGGTESP DATA SEQUENCE INRISLAGFS ACRALSTCRN DDPERASRPY DVDRDGFVMG EGAAIVVLEE DATA SEQUENCE LEHAKKRGAR IYAEIIGYGL SGDAYHITAP SESGEGAQRS MMAALKRAQV DATA SEQUENCE NVSELDYINA HGTSTMADVI ELAAVERVLG YYAPQVSMSS TKSSIGHLLG DATA SEQUENCE AAGAAEAIFC VLAIRDNIAP ATLNLENPSI ETKIDLVPHK PRERKIDTVL DATA SEQUENCE SNSFGFGGTN ASLVMRRFSE VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.304 176.300 0.007 0.000 1.140 1 M CA 0.000 55.306 55.300 0.010 0.000 0.988 1 M CB 0.000 32.609 32.600 0.015 0.000 1.302 2 R N 1.279 121.779 120.500 0.001 0.000 2.582 2 R HA 0.550 4.889 4.340 -0.001 0.000 0.271 2 R C -0.021 176.275 176.300 -0.008 0.000 1.078 2 R CA -0.545 55.553 56.100 -0.004 0.000 1.127 2 R CB 0.951 31.243 30.300 -0.014 0.000 1.038 2 R HN 0.528 nan 8.270 nan 0.000 0.500 3 R N 0.614 121.110 120.500 -0.007 0.000 2.490 3 R HA 0.318 4.657 4.340 -0.001 0.000 0.278 3 R C -0.625 175.648 176.300 -0.045 0.000 1.069 3 R CA -0.412 55.683 56.100 -0.009 0.000 1.080 3 R CB 1.001 31.311 30.300 0.017 0.000 1.030 3 R HN 0.245 nan 8.270 nan 0.000 0.491 4 V N 3.297 123.180 119.914 -0.053 0.000 2.577 4 V HA 0.378 4.498 4.120 -0.001 0.000 0.303 4 V C -0.253 175.780 176.094 -0.103 0.000 1.042 4 V CA -0.773 61.475 62.300 -0.088 0.000 0.872 4 V CB 1.736 33.511 31.823 -0.079 0.000 0.998 4 V HN 0.622 nan 8.190 nan 0.000 0.423 5 V N 2.618 122.444 119.914 -0.147 0.000 3.046 5 V HA 0.722 4.842 4.120 -0.001 0.000 0.316 5 V C -0.557 175.457 176.094 -0.133 0.000 1.104 5 V CA -0.997 61.207 62.300 -0.160 0.000 1.006 5 V CB 2.275 33.927 31.823 -0.285 0.000 1.058 5 V HN 0.651 nan 8.190 nan 0.000 0.440 6 I N 2.487 123.005 120.570 -0.087 0.000 2.336 6 I HA 0.503 4.672 4.170 -0.001 0.000 0.292 6 I C 0.994 177.140 176.117 0.048 0.000 0.991 6 I CA 0.132 61.401 61.300 -0.052 0.000 1.227 6 I CB 2.048 40.009 38.000 -0.064 0.000 1.366 6 I HN 0.994 nan 8.210 nan 0.000 0.466 7 T N 0.477 115.048 114.554 0.028 0.000 3.058 7 T HA 0.396 4.746 4.350 -0.001 0.000 0.278 7 T C 0.347 175.138 174.700 0.153 0.000 0.974 7 T CA -0.296 61.846 62.100 0.068 0.000 0.893 7 T CB 0.499 69.323 68.868 -0.074 0.000 1.138 7 T HN 0.686 nan 8.240 nan 0.000 0.529 8 G N 0.984 109.841 108.800 0.095 0.000 2.759 8 G HA2 0.625 4.585 3.960 -0.001 0.000 0.297 8 G HA3 0.625 4.585 3.960 -0.001 0.000 0.297 8 G C -1.862 172.974 174.900 -0.106 0.000 1.434 8 G CA -0.876 44.253 45.100 0.049 0.000 0.980 8 G HN 0.340 nan 8.290 nan 0.000 0.531 9 L N 0.898 122.038 121.223 -0.138 0.000 2.386 9 L HA 0.880 5.220 4.340 -0.001 0.000 0.271 9 L C 0.325 177.127 176.870 -0.114 0.000 0.993 9 L CA -0.896 53.813 54.840 -0.217 0.000 0.819 9 L CB 2.624 44.453 42.059 -0.384 0.000 1.294 9 L HN 0.778 nan 8.230 nan 0.000 0.414 10 G N 2.456 111.187 108.800 -0.114 0.000 2.731 10 G HA2 0.694 4.653 3.960 -0.001 0.000 0.298 10 G HA3 0.694 4.653 3.960 -0.001 0.000 0.298 10 G C -2.228 172.621 174.900 -0.085 0.000 1.424 10 G CA -0.371 44.690 45.100 -0.065 0.000 1.029 10 G HN 0.350 nan 8.290 nan 0.000 0.518 11 L N 2.002 123.189 121.223 -0.060 0.000 2.588 11 L HA 0.671 5.011 4.340 -0.001 0.000 0.263 11 L C -1.440 175.388 176.870 -0.070 0.000 0.935 11 L CA -0.600 54.190 54.840 -0.084 0.000 0.891 11 L CB 2.300 44.306 42.059 -0.088 0.000 1.318 11 L HN 0.416 nan 8.230 nan 0.000 0.409 12 V N 4.134 123.963 119.914 -0.141 0.000 2.350 12 V HA 0.829 4.948 4.120 -0.001 0.000 0.285 12 V C -0.030 175.911 176.094 -0.255 0.000 1.014 12 V CA 0.106 62.267 62.300 -0.232 0.000 0.831 12 V CB 1.307 32.874 31.823 -0.427 0.000 1.000 12 V HN 0.921 nan 8.190 nan 0.000 0.433 13 S N 5.117 120.723 115.700 -0.158 0.000 2.704 13 S HA 0.668 5.138 4.470 -0.001 0.000 0.296 13 S C -2.548 172.009 174.600 -0.072 0.000 1.138 13 S CA -1.681 56.462 58.200 -0.095 0.000 0.875 13 S CB 2.434 65.650 63.200 0.028 0.000 1.151 13 S HN 0.335 nan 8.310 nan 0.000 0.500 14 P HA 0.171 nan 4.420 nan 0.000 0.234 14 P C 0.857 178.173 177.300 0.026 0.000 1.167 14 P CA 0.625 63.722 63.100 -0.006 0.000 0.763 14 P CB -0.017 31.692 31.700 0.015 0.000 0.835 15 L N -2.614 118.641 121.223 0.053 0.000 2.408 15 L HA 0.355 4.695 4.340 -0.001 0.000 0.215 15 L C 0.904 177.824 176.870 0.083 0.000 1.081 15 L CA 0.058 54.939 54.840 0.069 0.000 0.840 15 L CB 0.040 42.150 42.059 0.086 0.000 1.002 15 L HN -0.119 nan 8.230 nan 0.000 0.468 16 A N -1.483 121.387 122.820 0.083 0.000 2.583 16 A HA 0.527 4.846 4.320 -0.001 0.000 0.292 16 A C 0.214 177.846 177.584 0.081 0.000 1.045 16 A CA 0.060 52.161 52.037 0.106 0.000 0.672 16 A CB 0.141 19.253 19.000 0.188 0.000 1.283 16 A HN 0.009 nan 8.150 nan 0.000 0.419 17 G N 0.190 109.057 108.800 0.112 0.000 3.026 17 G HA2 0.387 4.347 3.960 -0.001 0.000 0.208 17 G HA3 0.387 4.347 3.960 -0.001 0.000 0.208 17 G C 0.110 175.091 174.900 0.135 0.000 1.169 17 G CA 0.981 46.159 45.100 0.129 0.000 0.788 17 G HN 1.006 nan 8.290 nan 0.000 0.533 18 D N -1.782 118.708 120.400 0.150 0.000 2.626 18 D HA 0.175 4.815 4.640 -0.001 0.000 0.278 18 D C 0.793 177.187 176.300 0.157 0.000 1.211 18 D CA -0.657 53.437 54.000 0.158 0.000 0.903 18 D CB 1.484 42.416 40.800 0.220 0.000 1.408 18 D HN -0.186 nan 8.370 nan 0.000 0.454 19 V N 0.549 120.535 119.914 0.121 0.000 2.244 19 V HA -0.206 3.913 4.120 -0.001 0.000 0.244 19 V C 2.343 178.531 176.094 0.156 0.000 1.042 19 V CA 1.687 64.047 62.300 0.100 0.000 1.006 19 V CB -0.629 31.201 31.823 0.012 0.000 0.641 19 V HN 0.577 nan 8.190 nan 0.000 0.446 20 E N -0.574 119.697 120.200 0.118 0.000 2.072 20 E HA -0.192 4.158 4.350 -0.001 0.000 0.191 20 E C 2.131 178.705 176.600 -0.044 0.000 0.985 20 E CA 1.493 57.919 56.400 0.044 0.000 0.801 20 E CB -0.410 29.259 29.700 -0.052 0.000 0.750 20 E HN 0.750 nan 8.360 nan 0.000 0.452 21 Y N 1.334 121.717 120.300 0.139 0.000 2.293 21 Y HA -0.113 4.436 4.550 -0.001 0.000 0.291 21 Y C 2.731 178.703 175.900 0.120 0.000 1.137 21 Y CA 1.116 59.283 58.100 0.112 0.000 1.202 21 Y CB -0.231 38.281 38.460 0.086 0.000 0.990 21 Y HN -0.060 nan 8.280 nan 0.000 0.537 22 S N -0.605 115.251 115.700 0.260 0.000 2.356 22 S HA -0.229 4.240 4.470 -0.001 0.000 0.223 22 S C 1.792 176.546 174.600 0.256 0.000 1.032 22 S CA 1.245 59.597 58.200 0.252 0.000 1.005 22 S CB -0.667 62.708 63.200 0.292 0.000 0.867 22 S HN 0.701 nan 8.310 nan 0.000 0.449 23 W N 2.655 123.990 121.300 0.058 0.000 2.381 23 W HA -0.104 4.556 4.660 -0.001 0.000 0.301 23 W C 2.238 178.712 176.519 -0.076 0.000 1.205 23 W CA 1.479 58.810 57.345 -0.024 0.000 1.285 23 W CB -0.219 29.243 29.460 0.003 0.000 1.133 23 W HN 0.253 nan 8.180 nan 0.000 0.521 24 K N 0.867 121.253 120.400 -0.023 0.000 2.032 24 K HA -0.230 4.090 4.320 -0.001 0.000 0.209 24 K C 2.131 178.639 176.600 -0.154 0.000 1.048 24 K CA 1.773 57.970 56.287 -0.151 0.000 0.927 24 K CB -0.290 32.142 32.500 -0.114 0.000 0.712 24 K HN 0.125 nan 8.250 nan 0.000 0.441 25 R N 0.283 120.747 120.500 -0.059 0.000 2.115 25 R HA -0.064 4.275 4.340 -0.001 0.000 0.226 25 R C 2.399 178.622 176.300 -0.129 0.000 1.100 25 R CA 0.799 56.868 56.100 -0.051 0.000 0.980 25 R CB -0.312 30.003 30.300 0.026 0.000 0.875 25 R HN 0.167 nan 8.270 nan 0.000 0.445 26 L N 1.107 122.215 121.223 -0.191 0.000 2.012 26 L HA -0.154 4.185 4.340 -0.001 0.000 0.210 26 L C 1.867 178.512 176.870 -0.375 0.000 1.073 26 L CA 1.744 56.406 54.840 -0.296 0.000 0.748 26 L CB -0.263 41.528 42.059 -0.448 0.000 0.891 26 L HN 0.140 nan 8.230 nan 0.000 0.431 27 L N -0.924 119.986 121.223 -0.522 0.000 2.275 27 L HA -0.143 4.197 4.340 -0.001 0.000 0.215 27 L C 2.145 178.842 176.870 -0.288 0.000 1.119 27 L CA 0.902 55.439 54.840 -0.505 0.000 0.790 27 L CB -0.516 41.136 42.059 -0.679 0.000 0.919 27 L HN 0.374 nan 8.230 nan 0.000 0.443 28 E N -0.010 120.058 120.200 -0.220 0.000 2.482 28 E HA 0.005 4.355 4.350 -0.001 0.000 0.196 28 E C 1.292 177.830 176.600 -0.103 0.000 1.047 28 E CA 0.462 56.781 56.400 -0.134 0.000 0.869 28 E CB 0.139 29.784 29.700 -0.093 0.000 0.836 28 E HN 0.530 nan 8.360 nan 0.000 0.520 29 G N 1.994 110.722 108.800 -0.120 0.000 2.136 29 G HA2 -0.235 3.725 3.960 -0.001 0.000 0.242 29 G HA3 -0.235 3.725 3.960 -0.001 0.000 0.242 29 G C 0.064 174.931 174.900 -0.054 0.000 0.989 29 G CA -0.125 44.926 45.100 -0.080 0.000 0.682 29 G HN -0.007 nan 8.290 nan 0.000 0.522 30 K N 0.460 120.826 120.400 -0.058 0.000 2.258 30 K HA 0.539 4.858 4.320 -0.001 0.000 0.264 30 K C 0.339 176.925 176.600 -0.023 0.000 1.007 30 K CA 0.085 56.353 56.287 -0.031 0.000 0.941 30 K CB 1.531 34.018 32.500 -0.021 0.000 0.966 30 K HN 0.325 nan 8.250 nan 0.000 0.480 31 S N -0.358 115.338 115.700 -0.007 0.000 2.503 31 S HA 0.507 4.977 4.470 -0.001 0.000 0.301 31 S C 0.662 175.270 174.600 0.012 0.000 1.087 31 S CA -0.573 57.628 58.200 0.003 0.000 1.042 31 S CB 1.291 64.494 63.200 0.006 0.000 1.043 31 S HN 0.634 nan 8.310 nan 0.000 0.489 32 G N 2.262 111.074 108.800 0.020 0.000 3.189 32 G HA2 0.282 4.241 3.960 -0.001 0.000 0.225 32 G HA3 0.282 4.241 3.960 -0.001 0.000 0.225 32 G C -0.148 174.766 174.900 0.023 0.000 1.159 32 G CA -0.038 45.077 45.100 0.025 0.000 0.763 32 G HN 0.614 nan 8.290 nan 0.000 0.549 33 V N 1.336 121.262 119.914 0.021 0.000 2.432 33 V HA 0.628 4.747 4.120 -0.001 0.000 0.275 33 V C 0.304 176.405 176.094 0.013 0.000 1.043 33 V CA -0.598 61.714 62.300 0.021 0.000 0.925 33 V CB 0.703 32.541 31.823 0.024 0.000 0.985 33 V HN 0.651 nan 8.190 nan 0.000 0.466 34 R N 3.425 123.930 120.500 0.009 0.000 2.734 34 R HA 0.638 4.978 4.340 -0.001 0.000 0.271 34 R C -0.834 175.458 176.300 -0.013 0.000 1.021 34 R CA -1.176 54.924 56.100 -0.001 0.000 0.893 34 R CB 1.532 31.831 30.300 -0.002 0.000 1.244 34 R HN 0.424 nan 8.270 nan 0.000 0.464 35 R N 0.850 121.338 120.500 -0.021 0.000 2.623 35 R HA 0.155 4.495 4.340 -0.001 0.000 0.271 35 R C -0.086 176.174 176.300 -0.067 0.000 1.043 35 R CA 0.018 56.094 56.100 -0.039 0.000 1.083 35 R CB 0.236 30.515 30.300 -0.035 0.000 0.974 35 R HN 0.419 nan 8.270 nan 0.000 0.436 36 I N 2.066 122.568 120.570 -0.112 0.000 2.471 36 I HA -0.019 4.150 4.170 -0.001 0.000 0.286 36 I C 1.499 177.482 176.117 -0.224 0.000 1.079 36 I CA 0.417 61.589 61.300 -0.213 0.000 1.398 36 I CB 1.318 39.094 38.000 -0.374 0.000 1.403 36 I HN 0.779 nan 8.210 nan 0.000 0.530 37 T N -0.438 113.999 114.554 -0.195 0.000 3.004 37 T HA 0.185 4.534 4.350 -0.001 0.000 0.266 37 T C 1.109 175.738 174.700 -0.118 0.000 0.986 37 T CA -0.215 61.807 62.100 -0.129 0.000 0.902 37 T CB 0.145 68.977 68.868 -0.061 0.000 1.118 37 T HN 0.439 nan 8.240 nan 0.000 0.522 38 E N 1.342 121.439 120.200 -0.172 0.000 2.158 38 E HA 0.277 4.627 4.350 -0.001 0.000 0.191 38 E C 0.184 176.843 176.600 0.098 0.000 0.982 38 E CA 0.701 57.094 56.400 -0.011 0.000 0.823 38 E CB -0.035 29.720 29.700 0.092 0.000 0.766 38 E HN 0.842 nan 8.360 nan 0.000 0.468 39 F N -2.152 117.824 119.950 0.045 0.000 2.664 39 F HA 0.491 5.018 4.527 -0.001 0.000 0.317 39 F C -0.799 175.023 175.800 0.037 0.000 1.108 39 F CA -1.926 56.100 58.000 0.043 0.000 0.957 39 F CB 0.736 39.767 39.000 0.052 0.000 1.365 39 F HN -0.393 nan 8.300 nan 0.000 0.475 40 D N 0.926 121.499 120.400 0.289 0.000 2.371 40 D HA 0.328 4.968 4.640 -0.001 0.000 0.256 40 D C 0.429 176.849 176.300 0.201 0.000 1.193 40 D CA 0.072 54.169 54.000 0.162 0.000 0.881 40 D CB 1.566 42.443 40.800 0.127 0.000 1.143 40 D HN 0.728 nan 8.370 nan 0.000 0.473 41 V N 1.266 121.224 119.914 0.075 0.000 3.252 41 V HA 0.146 4.265 4.120 -0.001 0.000 0.320 41 V C 1.415 177.538 176.094 0.048 0.000 1.459 41 V CA 0.467 62.813 62.300 0.078 0.000 1.095 41 V CB -0.313 31.519 31.823 0.015 0.000 0.997 41 V HN 0.480 nan 8.190 nan 0.000 0.469 42 S N 1.632 117.356 115.700 0.041 0.000 2.447 42 S HA -0.181 4.288 4.470 -0.001 0.000 0.233 42 S C 1.355 175.973 174.600 0.031 0.000 1.006 42 S CA 1.425 59.641 58.200 0.027 0.000 0.957 42 S CB -0.505 62.708 63.200 0.022 0.000 0.773 42 S HN 0.822 nan 8.310 nan 0.000 0.507 43 D N 0.680 121.106 120.400 0.042 0.000 2.340 43 D HA 0.209 4.848 4.640 -0.001 0.000 0.217 43 D C 0.288 176.613 176.300 0.041 0.000 1.081 43 D CA -0.234 53.788 54.000 0.037 0.000 0.842 43 D CB -0.266 40.556 40.800 0.037 0.000 0.934 43 D HN 0.395 nan 8.370 nan 0.000 0.511 44 L N 0.905 122.157 121.223 0.049 0.000 2.331 44 L HA 0.280 4.619 4.340 -0.001 0.000 0.275 44 L C 1.520 178.411 176.870 0.035 0.000 1.022 44 L CA -0.632 54.239 54.840 0.052 0.000 0.812 44 L CB 1.993 44.100 42.059 0.080 0.000 1.257 44 L HN -0.102 nan 8.230 nan 0.000 0.435 45 S N -0.564 115.153 115.700 0.029 0.000 2.436 45 S HA -0.057 4.412 4.470 -0.001 0.000 0.228 45 S C 0.611 175.218 174.600 0.012 0.000 1.014 45 S CA -0.293 57.917 58.200 0.017 0.000 0.950 45 S CB -0.047 63.160 63.200 0.012 0.000 0.784 45 S HN 0.611 nan 8.310 nan 0.000 0.504 46 C N 2.168 121.478 119.300 0.018 0.000 2.298 46 C HA 0.591 5.050 4.460 -0.001 0.000 0.323 46 C C 0.391 175.394 174.990 0.023 0.000 1.284 46 C CA -0.479 58.545 59.018 0.011 0.000 1.577 46 C CB 0.617 28.355 27.740 -0.003 0.000 2.249 46 C HN 0.611 nan 8.230 nan 0.000 0.497 47 Q N 4.959 124.764 119.800 0.008 0.000 2.135 47 Q HA 0.326 4.666 4.340 -0.001 0.000 0.222 47 Q C -0.141 175.845 176.000 -0.023 0.000 0.808 47 Q CA 0.036 55.835 55.803 -0.006 0.000 1.049 47 Q CB 0.496 29.227 28.738 -0.011 0.000 1.168 47 Q HN 0.897 nan 8.270 nan 0.000 0.483 48 I N -3.367 117.199 120.570 -0.006 0.000 2.892 48 I HA 0.990 5.160 4.170 -0.001 0.000 0.306 48 I C -1.112 175.015 176.117 0.016 0.000 1.078 48 I CA -1.304 59.993 61.300 -0.005 0.000 1.032 48 I CB 2.204 40.204 38.000 0.001 0.000 1.229 48 I HN -0.134 nan 8.210 nan 0.000 0.435 49 A N 2.739 125.571 122.820 0.019 0.000 2.608 49 A HA 0.825 5.144 4.320 -0.001 0.000 0.292 49 A C -1.189 176.419 177.584 0.041 0.000 1.066 49 A CA -0.452 51.612 52.037 0.046 0.000 0.676 49 A CB 1.260 20.299 19.000 0.066 0.000 1.277 49 A HN 1.345 nan 8.150 nan 0.000 0.413 50 A N 1.677 124.529 122.820 0.053 0.000 2.391 50 A HA 0.617 4.936 4.320 -0.001 0.000 0.316 50 A C 0.214 177.818 177.584 0.034 0.000 1.381 50 A CA -0.297 51.765 52.037 0.042 0.000 0.998 50 A CB -0.164 18.865 19.000 0.048 0.000 1.147 50 A HN 0.612 nan 8.150 nan 0.000 0.545 51 R N 2.312 122.828 120.500 0.027 0.000 2.532 51 R HA 0.457 4.797 4.340 -0.001 0.000 0.295 51 R C -0.709 175.592 176.300 0.003 0.000 0.968 51 R CA -0.735 55.380 56.100 0.025 0.000 0.916 51 R CB 1.680 32.006 30.300 0.042 0.000 1.124 51 R HN 0.678 nan 8.270 nan 0.000 0.463 52 I N 4.519 125.069 120.570 -0.034 0.000 2.618 52 I HA 0.020 4.190 4.170 -0.001 0.000 0.284 52 I C -1.604 174.531 176.117 0.030 0.000 1.146 52 I CA -1.425 59.837 61.300 -0.064 0.000 1.425 52 I CB 0.419 38.284 38.000 -0.224 0.000 1.383 52 I HN 0.228 nan 8.210 nan 0.000 0.562 53 P HA 0.134 nan 4.420 nan 0.000 0.280 53 P C -0.503 176.873 177.300 0.126 0.000 1.300 53 P CA -0.049 63.095 63.100 0.074 0.000 0.785 53 P CB 0.773 32.507 31.700 0.057 0.000 0.874 54 V N 3.687 123.679 119.914 0.131 0.000 2.686 54 V HA 0.754 4.874 4.120 -0.001 0.000 0.295 54 V C 1.069 177.213 176.094 0.083 0.000 1.057 54 V CA 0.722 63.115 62.300 0.156 0.000 1.012 54 V CB 1.063 32.979 31.823 0.156 0.000 1.006 54 V HN 0.969 nan 8.190 nan 0.000 0.477 55 G N 3.125 111.957 108.800 0.053 0.000 2.364 55 G HA2 0.260 4.220 3.960 -0.001 0.000 0.286 55 G HA3 0.260 4.220 3.960 -0.001 0.000 0.286 55 G C -0.498 174.393 174.900 -0.014 0.000 1.241 55 G CA 0.236 45.346 45.100 0.017 0.000 0.887 55 G HN 0.615 nan 8.290 nan 0.000 0.484 56 D N -0.957 119.433 120.400 -0.017 0.000 2.339 56 D HA 0.375 5.015 4.640 -0.001 0.000 0.217 56 D C 1.616 177.895 176.300 -0.034 0.000 1.050 56 D CA 1.158 55.138 54.000 -0.032 0.000 0.856 56 D CB 0.342 41.127 40.800 -0.026 0.000 0.922 56 D HN 1.932 nan 8.370 nan 0.000 0.518 57 G N -0.140 108.649 108.800 -0.018 0.000 2.213 57 G HA2 -0.245 3.715 3.960 -0.001 0.000 0.226 57 G HA3 -0.245 3.715 3.960 -0.001 0.000 0.226 57 G C 0.532 175.424 174.900 -0.015 0.000 0.992 57 G CA 0.271 45.370 45.100 -0.001 0.000 0.632 57 G HN 0.778 nan 8.290 nan 0.000 0.511 58 T N -1.194 113.340 114.554 -0.034 0.000 2.874 58 T HA 0.480 4.830 4.350 -0.001 0.000 0.281 58 T C 0.744 175.381 174.700 -0.104 0.000 0.994 58 T CA 0.504 62.566 62.100 -0.064 0.000 1.015 58 T CB 1.082 69.921 68.868 -0.049 0.000 1.028 58 T HN 0.796 nan 8.240 nan 0.000 0.523 59 N N 0.430 119.023 118.700 -0.179 0.000 2.716 59 N HA -0.199 4.540 4.740 -0.001 0.000 0.250 59 N C 1.056 176.405 175.510 -0.268 0.000 1.033 59 N CA 1.528 54.433 53.050 -0.242 0.000 0.727 59 N CB -1.665 36.751 38.487 -0.118 0.000 0.950 59 N HN 1.621 nan 8.380 nan 0.000 0.541 60 G N -2.052 106.538 108.800 -0.350 0.000 2.148 60 G HA2 -0.344 3.616 3.960 -0.001 0.000 0.254 60 G HA3 -0.344 3.616 3.960 -0.001 0.000 0.254 60 G C 0.388 175.282 174.900 -0.011 0.000 0.981 60 G CA 1.200 46.179 45.100 -0.202 0.000 0.670 60 G HN 1.090 nan 8.290 nan 0.000 0.528 61 T N -2.356 112.197 114.554 -0.002 0.000 2.874 61 T HA 0.558 4.907 4.350 -0.001 0.000 0.281 61 T C -0.151 174.639 174.700 0.149 0.000 0.994 61 T CA -0.380 61.762 62.100 0.069 0.000 1.015 61 T CB 2.164 71.057 68.868 0.042 0.000 1.028 61 T HN 1.060 nan 8.240 nan 0.000 0.523 62 Y N 1.873 122.199 120.300 0.044 0.000 2.331 62 Y HA 0.514 5.064 4.550 -0.001 0.000 0.338 62 Y C -0.568 175.392 175.900 0.100 0.000 0.976 62 Y CA -1.490 56.659 58.100 0.082 0.000 1.137 62 Y CB 1.033 39.526 38.460 0.055 0.000 1.172 62 Y HN 0.768 nan 8.280 nan 0.000 0.478 63 N N 4.815 123.305 118.700 -0.350 0.000 2.564 63 N HA 0.323 5.063 4.740 -0.001 0.000 0.248 63 N C 0.383 175.581 175.510 -0.520 0.000 0.986 63 N CA 0.353 53.167 53.050 -0.392 0.000 0.921 63 N CB 1.425 39.806 38.487 -0.177 0.000 1.136 63 N HN 0.884 nan 8.380 nan 0.000 0.509 64 A N 2.986 125.390 122.820 -0.693 0.000 1.948 64 A HA -0.171 4.149 4.320 -0.001 0.000 0.220 64 A C 1.414 178.938 177.584 -0.099 0.000 1.177 64 A CA 1.545 53.386 52.037 -0.326 0.000 0.636 64 A CB -0.229 18.715 19.000 -0.093 0.000 0.815 64 A HN 0.655 nan 8.150 nan 0.000 0.449 65 D N -0.176 120.138 120.400 -0.144 0.000 2.309 65 D HA -0.078 4.562 4.640 -0.001 0.000 0.212 65 D C 1.617 177.828 176.300 -0.147 0.000 0.968 65 D CA 0.752 54.686 54.000 -0.109 0.000 0.882 65 D CB -0.208 40.535 40.800 -0.097 0.000 0.918 65 D HN 0.523 nan 8.370 nan 0.000 0.503 66 L N -0.302 120.765 121.223 -0.262 0.000 2.418 66 L HA -0.007 4.332 4.340 -0.001 0.000 0.218 66 L C 1.741 178.304 176.870 -0.511 0.000 1.125 66 L CA 0.643 55.244 54.840 -0.399 0.000 0.835 66 L CB -0.079 41.680 42.059 -0.500 0.000 0.953 66 L HN 0.166 nan 8.230 nan 0.000 0.454 67 H N -1.605 117.461 119.070 -0.008 0.000 2.681 67 H HA 0.329 4.885 4.556 -0.001 0.000 0.268 67 H C 0.430 175.765 175.328 0.012 0.000 0.967 67 H CA 0.217 56.288 56.048 0.038 0.000 1.233 67 H CB 1.325 31.147 29.762 0.099 0.000 1.445 67 H HN 0.185 nan 8.280 nan 0.000 0.494 68 M N 1.081 120.719 119.600 0.063 0.000 2.365 68 M HA 0.215 4.694 4.480 -0.001 0.000 0.287 68 M C -1.385 174.898 176.300 -0.027 0.000 1.154 68 M CA -0.426 54.881 55.300 0.011 0.000 0.941 68 M CB 2.800 35.398 32.600 -0.004 0.000 1.704 68 M HN -0.072 nan 8.290 nan 0.000 0.479 69 E N 1.391 121.569 120.200 -0.037 0.000 2.415 69 E HA 0.066 4.416 4.350 -0.001 0.000 0.262 69 E C 0.560 177.130 176.600 -0.051 0.000 1.038 69 E CA 0.005 56.378 56.400 -0.045 0.000 0.921 69 E CB 0.842 30.516 29.700 -0.043 0.000 0.950 69 E HN 0.713 nan 8.360 nan 0.000 0.438 70 S N 2.276 117.947 115.700 -0.047 0.000 2.372 70 S HA -0.293 4.176 4.470 -0.001 0.000 0.227 70 S C 2.216 176.784 174.600 -0.052 0.000 1.044 70 S CA 2.078 60.252 58.200 -0.044 0.000 1.050 70 S CB -0.285 62.894 63.200 -0.034 0.000 0.901 70 S HN 0.664 nan 8.310 nan 0.000 0.447 71 K N 1.358 121.725 120.400 -0.054 0.000 2.148 71 K HA -0.024 4.295 4.320 -0.001 0.000 0.204 71 K C 1.760 178.297 176.600 -0.106 0.000 1.050 71 K CA 1.396 57.643 56.287 -0.066 0.000 0.942 71 K CB -0.629 31.838 32.500 -0.056 0.000 0.724 71 K HN 0.384 nan 8.250 nan 0.000 0.446 72 E N 0.368 120.506 120.200 -0.103 0.000 2.112 72 E HA -0.119 4.230 4.350 -0.001 0.000 0.190 72 E C 2.216 178.724 176.600 -0.153 0.000 0.979 72 E CA 0.867 57.188 56.400 -0.131 0.000 0.814 72 E CB 0.008 29.661 29.700 -0.079 0.000 0.762 72 E HN 0.735 nan 8.360 nan 0.000 0.460 73 Q N 0.078 119.805 119.800 -0.121 0.000 2.170 73 Q HA -0.141 4.198 4.340 -0.001 0.000 0.203 73 Q C 2.342 178.274 176.000 -0.113 0.000 0.976 73 Q CA 1.922 57.651 55.803 -0.124 0.000 0.858 73 Q CB -0.346 28.347 28.738 -0.076 0.000 0.907 73 Q HN 0.197 nan 8.270 nan 0.000 0.433 74 R N 1.474 121.918 120.500 -0.093 0.000 2.280 74 R HA -0.055 4.285 4.340 -0.001 0.000 0.207 74 R C 1.454 177.713 176.300 -0.068 0.000 1.043 74 R CA 1.192 57.255 56.100 -0.062 0.000 1.006 74 R CB -0.543 29.731 30.300 -0.044 0.000 0.885 74 R HN 0.220 nan 8.270 nan 0.000 0.467 75 K N -0.159 120.161 120.400 -0.133 0.000 2.358 75 K HA 0.182 4.501 4.320 -0.001 0.000 0.197 75 K C 0.080 176.636 176.600 -0.073 0.000 1.025 75 K CA 0.609 56.814 56.287 -0.137 0.000 1.104 75 K CB 0.859 33.124 32.500 -0.392 0.000 0.855 75 K HN 0.382 nan 8.250 nan 0.000 0.531 76 V N -2.121 117.711 119.914 -0.137 0.000 3.007 76 V HA 0.432 4.552 4.120 -0.001 0.000 0.311 76 V C -1.071 174.918 176.094 -0.174 0.000 1.120 76 V CA -1.352 60.826 62.300 -0.203 0.000 0.980 76 V CB 2.045 33.597 31.823 -0.451 0.000 1.033 76 V HN -0.178 nan 8.190 nan 0.000 0.429 77 D N 1.571 121.871 120.400 -0.167 0.000 2.339 77 D HA 0.627 5.267 4.640 -0.001 0.000 0.245 77 D C 1.199 177.335 176.300 -0.274 0.000 1.115 77 D CA 0.613 54.560 54.000 -0.088 0.000 0.917 77 D CB 1.841 42.753 40.800 0.186 0.000 1.192 77 D HN 0.929 nan 8.370 nan 0.000 0.428 78 A N 1.825 124.523 122.820 -0.204 0.000 2.019 78 A HA -0.176 4.144 4.320 -0.001 0.000 0.219 78 A C 1.861 179.053 177.584 -0.654 0.000 1.164 78 A CA 1.277 53.043 52.037 -0.452 0.000 0.644 78 A CB -1.046 17.673 19.000 -0.468 0.000 0.805 78 A HN 0.701 nan 8.150 nan 0.000 0.449 79 F N -0.587 119.142 119.950 -0.368 0.000 2.202 79 F HA -0.129 4.398 4.527 -0.001 0.000 0.301 79 F C 1.698 177.409 175.800 -0.148 0.000 1.082 79 F CA 1.313 59.189 58.000 -0.208 0.000 1.313 79 F CB -0.583 38.380 39.000 -0.062 0.000 1.024 79 F HN 0.150 nan 8.300 nan 0.000 0.495 80 I N 0.450 120.430 120.570 -0.984 0.000 2.286 80 I HA -0.200 3.970 4.170 -0.001 0.000 0.245 80 I C 2.362 178.253 176.117 -0.377 0.000 1.104 80 I CA 0.911 61.773 61.300 -0.730 0.000 1.397 80 I CB -0.395 37.059 38.000 -0.909 0.000 1.072 80 I HN 0.086 nan 8.210 nan 0.000 0.417 81 V N 0.212 119.908 119.914 -0.364 0.000 2.343 81 V HA -0.293 3.827 4.120 -0.001 0.000 0.247 81 V C 2.331 178.454 176.094 0.049 0.000 1.051 81 V CA 1.744 63.955 62.300 -0.148 0.000 1.036 81 V CB -0.957 30.808 31.823 -0.097 0.000 0.654 81 V HN 0.276 nan 8.190 nan 0.000 0.451 82 Y N 1.101 121.377 120.300 -0.040 0.000 2.165 82 Y HA -0.194 4.356 4.550 -0.001 0.000 0.286 82 Y C 2.630 178.490 175.900 -0.067 0.000 1.155 82 Y CA 0.852 58.899 58.100 -0.088 0.000 1.164 82 Y CB -1.572 36.825 38.460 -0.106 0.000 0.978 82 Y HN 0.215 nan 8.280 nan 0.000 0.513 83 A N 0.180 123.066 122.820 0.111 0.000 1.902 83 A HA -0.150 4.169 4.320 -0.001 0.000 0.217 83 A C 2.384 180.011 177.584 0.072 0.000 1.181 83 A CA 1.663 53.746 52.037 0.077 0.000 0.623 83 A CB -1.103 17.939 19.000 0.070 0.000 0.818 83 A HN 0.440 nan 8.150 nan 0.000 0.443 84 I N -0.270 120.341 120.570 0.069 0.000 2.163 84 I HA -0.310 3.859 4.170 -0.001 0.000 0.243 84 I C 2.987 179.173 176.117 0.115 0.000 1.085 84 I CA 1.154 62.527 61.300 0.121 0.000 1.347 84 I CB -0.337 37.725 38.000 0.103 0.000 1.044 84 I HN 0.372 nan 8.210 nan 0.000 0.408 85 A N 0.592 123.414 122.820 0.003 0.000 1.902 85 A HA -0.156 4.163 4.320 -0.001 0.000 0.217 85 A C 2.515 180.036 177.584 -0.104 0.000 1.181 85 A CA 1.867 53.734 52.037 -0.282 0.000 0.623 85 A CB -0.798 17.931 19.000 -0.452 0.000 0.818 85 A HN 0.446 nan 8.150 nan 0.000 0.443 86 A N -0.244 122.554 122.820 -0.037 0.000 1.898 86 A HA 0.224 4.543 4.320 -0.001 0.000 0.216 86 A C 2.490 180.079 177.584 0.007 0.000 1.181 86 A CA 1.895 53.918 52.037 -0.023 0.000 0.620 86 A CB -0.950 18.030 19.000 -0.034 0.000 0.819 86 A HN 1.010 nan 8.150 nan 0.000 0.442 87 A N 0.156 123.002 122.820 0.043 0.000 1.902 87 A HA -0.182 4.138 4.320 -0.001 0.000 0.217 87 A C 1.763 179.369 177.584 0.036 0.000 1.181 87 A CA 1.873 53.935 52.037 0.041 0.000 0.623 87 A CB -0.621 18.445 19.000 0.111 0.000 0.818 87 A HN 0.443 nan 8.150 nan 0.000 0.443 88 D N -0.275 120.226 120.400 0.169 0.000 2.116 88 D HA -0.191 4.449 4.640 -0.001 0.000 0.193 88 D C 2.199 178.605 176.300 0.176 0.000 0.998 88 D CA 1.729 55.891 54.000 0.271 0.000 0.836 88 D CB -0.426 40.616 40.800 0.403 0.000 0.951 88 D HN 0.649 nan 8.370 nan 0.000 0.449 89 Q N 0.083 119.959 119.800 0.126 0.000 2.050 89 Q HA -0.054 4.286 4.340 -0.001 0.000 0.202 89 Q C 2.246 178.272 176.000 0.042 0.000 0.980 89 Q CA 1.436 57.300 55.803 0.101 0.000 0.840 89 Q CB -0.123 28.659 28.738 0.072 0.000 0.898 89 Q HN 0.237 nan 8.270 nan 0.000 0.424 90 A N 0.833 123.646 122.820 -0.012 0.000 1.898 90 A HA -0.137 4.182 4.320 -0.001 0.000 0.216 90 A C 2.075 179.601 177.584 -0.097 0.000 1.181 90 A CA 1.016 53.020 52.037 -0.055 0.000 0.620 90 A CB -0.664 18.290 19.000 -0.077 0.000 0.819 90 A HN 0.275 nan 8.150 nan 0.000 0.442 91 L N -0.809 120.301 121.223 -0.189 0.000 2.083 91 L HA -0.199 4.140 4.340 -0.001 0.000 0.209 91 L C 3.093 179.713 176.870 -0.416 0.000 1.083 91 L CA 1.040 55.627 54.840 -0.420 0.000 0.752 91 L CB -0.546 41.042 42.059 -0.786 0.000 0.899 91 L HN 0.458 nan 8.230 nan 0.000 0.433 92 A N -0.216 122.554 122.820 -0.082 0.000 1.898 92 A HA -0.271 4.048 4.320 -0.001 0.000 0.216 92 A C 1.980 179.625 177.584 0.103 0.000 1.181 92 A CA 2.047 54.190 52.037 0.177 0.000 0.620 92 A CB -0.564 18.601 19.000 0.274 0.000 0.819 92 A HN 0.398 nan 8.150 nan 0.000 0.442 93 D N -0.215 120.223 120.400 0.063 0.000 2.144 93 D HA 0.010 4.650 4.640 -0.001 0.000 0.200 93 D C 1.854 178.195 176.300 0.068 0.000 0.978 93 D CA 1.453 55.503 54.000 0.084 0.000 0.833 93 D CB -0.158 40.697 40.800 0.093 0.000 0.961 93 D HN 0.329 nan 8.370 nan 0.000 0.470 94 A N -0.092 122.739 122.820 0.018 0.000 2.169 94 A HA 0.080 4.399 4.320 -0.001 0.000 0.212 94 A C 0.508 178.122 177.584 0.050 0.000 1.153 94 A CA 0.546 52.593 52.037 0.016 0.000 0.756 94 A CB -0.320 18.665 19.000 -0.025 0.000 0.813 94 A HN 0.320 nan 8.150 nan 0.000 0.471 95 E N -1.835 118.388 120.200 0.038 0.000 2.252 95 E HA -0.198 4.152 4.350 -0.001 0.000 0.218 95 E C -0.636 176.044 176.600 0.134 0.000 1.253 95 E CA 0.612 57.075 56.400 0.105 0.000 0.705 95 E CB -1.530 28.252 29.700 0.137 0.000 1.172 95 E HN 0.788 nan 8.360 nan 0.000 0.369 96 W N 1.488 122.551 121.300 -0.394 0.000 2.453 96 W HA 0.446 5.106 4.660 -0.001 0.000 0.310 96 W C -1.561 174.588 176.519 -0.617 0.000 1.000 96 W CA -0.803 56.338 57.345 -0.341 0.000 1.367 96 W CB 0.546 29.856 29.460 -0.251 0.000 1.269 96 W HN 0.028 nan 8.180 nan 0.000 0.418 97 F N 6.917 126.596 119.950 -0.451 0.000 2.564 97 F HA 0.273 4.799 4.527 -0.001 0.000 0.361 97 F C -1.720 173.759 175.800 -0.535 0.000 1.161 97 F CA -2.137 55.632 58.000 -0.384 0.000 1.198 97 F CB 0.573 39.489 39.000 -0.139 0.000 1.424 97 F HN 0.027 nan 8.300 nan 0.000 0.517 98 P HA 0.140 nan 4.420 nan 0.000 0.267 98 P C 0.004 177.195 177.300 -0.182 0.000 1.205 98 P CA -0.116 62.663 63.100 -0.536 0.000 0.765 98 P CB 1.779 33.226 31.700 -0.421 0.000 0.828 99 K N 0.478 120.791 120.400 -0.144 0.000 2.443 99 K HA 0.089 4.409 4.320 -0.001 0.000 0.200 99 K C 1.092 177.671 176.600 -0.034 0.000 1.278 99 K CA 0.427 56.679 56.287 -0.058 0.000 0.925 99 K CB -0.318 32.154 32.500 -0.047 0.000 1.225 99 K HN 0.601 nan 8.250 nan 0.000 0.514 100 S N 1.704 117.383 115.700 -0.035 0.000 2.584 100 S HA 0.074 4.544 4.470 -0.001 0.000 0.270 100 S C 0.763 175.371 174.600 0.014 0.000 1.346 100 S CA -0.278 57.920 58.200 -0.003 0.000 1.018 100 S CB 0.974 64.180 63.200 0.010 0.000 0.899 100 S HN 0.005 nan 8.310 nan 0.000 0.542 101 D N 1.013 121.426 120.400 0.022 0.000 2.104 101 D HA -0.158 4.481 4.640 -0.001 0.000 0.194 101 D C 1.818 178.148 176.300 0.049 0.000 0.994 101 D CA 1.882 55.900 54.000 0.031 0.000 0.830 101 D CB -0.508 40.307 40.800 0.026 0.000 0.959 101 D HN 0.914 nan 8.370 nan 0.000 0.452 102 E N 0.582 120.816 120.200 0.057 0.000 2.049 102 E HA -0.223 4.126 4.350 -0.001 0.000 0.198 102 E C 1.346 178.023 176.600 0.128 0.000 1.007 102 E CA 1.609 58.059 56.400 0.084 0.000 0.809 102 E CB 0.098 29.849 29.700 0.086 0.000 0.749 102 E HN 0.095 nan 8.360 nan 0.000 0.450 103 D N 0.004 120.488 120.400 0.140 0.000 2.178 103 D HA -0.133 4.507 4.640 -0.001 0.000 0.202 103 D C 2.043 178.459 176.300 0.194 0.000 0.974 103 D CA 0.876 55.015 54.000 0.232 0.000 0.841 103 D CB -0.181 40.669 40.800 0.083 0.000 0.953 103 D HN 0.356 nan 8.370 nan 0.000 0.478 104 Q N -0.101 119.755 119.800 0.093 0.000 2.083 104 Q HA 0.007 4.346 4.340 -0.001 0.000 0.198 104 Q C 2.346 178.404 176.000 0.097 0.000 0.969 104 Q CA 0.587 56.439 55.803 0.082 0.000 0.838 104 Q CB 0.121 28.887 28.738 0.047 0.000 0.900 104 Q HN 0.318 nan 8.270 nan 0.000 0.436 105 I N 0.392 121.012 120.570 0.084 0.000 2.676 105 I HA -0.200 3.969 4.170 -0.001 0.000 0.259 105 I C 2.243 178.402 176.117 0.070 0.000 1.194 105 I CA 0.520 61.860 61.300 0.067 0.000 1.473 105 I CB -0.077 37.954 38.000 0.053 0.000 1.096 105 I HN 0.394 nan 8.210 nan 0.000 0.443 106 C N -1.097 118.261 119.300 0.097 0.000 2.754 106 C HA 0.253 4.712 4.460 -0.001 0.000 0.276 106 C C 0.929 175.952 174.990 0.055 0.000 1.264 106 C CA -0.440 58.617 59.018 0.065 0.000 1.700 106 C CB -1.597 26.185 27.740 0.070 0.000 1.885 106 C HN 0.189 nan 8.230 nan 0.000 0.607 107 T N 1.549 116.174 114.554 0.119 0.000 2.791 107 T HA 0.649 4.998 4.350 -0.001 0.000 0.288 107 T C 0.411 175.166 174.700 0.091 0.000 0.999 107 T CA 0.189 62.368 62.100 0.132 0.000 0.952 107 T CB 1.433 70.495 68.868 0.323 0.000 0.938 107 T HN 0.637 nan 8.240 nan 0.000 0.444 108 G N 1.248 110.078 108.800 0.050 0.000 2.932 108 G HA2 0.753 4.713 3.960 -0.001 0.000 0.283 108 G HA3 0.753 4.713 3.960 -0.001 0.000 0.283 108 G C -1.346 173.583 174.900 0.050 0.000 1.336 108 G CA -0.776 44.355 45.100 0.052 0.000 1.056 108 G HN 0.660 nan 8.290 nan 0.000 0.522 109 V N 0.013 119.962 119.914 0.060 0.000 2.733 109 V HA 0.511 4.631 4.120 -0.001 0.000 0.306 109 V C -0.832 175.300 176.094 0.063 0.000 1.084 109 V CA -0.490 61.845 62.300 0.058 0.000 0.905 109 V CB 1.786 33.657 31.823 0.081 0.000 1.010 109 V HN 0.637 nan 8.190 nan 0.000 0.424 110 L N 6.186 127.430 121.223 0.034 0.000 2.485 110 L HA 0.643 4.982 4.340 -0.001 0.000 0.260 110 L C -1.372 175.496 176.870 -0.003 0.000 0.998 110 L CA -0.101 54.748 54.840 0.016 0.000 0.883 110 L CB 0.803 42.854 42.059 -0.013 0.000 1.196 110 L HN 0.603 nan 8.230 nan 0.000 0.443 111 I N 3.346 123.929 120.570 0.023 0.000 2.436 111 I HA 0.551 4.720 4.170 -0.001 0.000 0.289 111 I C 0.557 176.699 176.117 0.041 0.000 1.010 111 I CA -0.510 60.811 61.300 0.035 0.000 1.098 111 I CB 1.980 40.023 38.000 0.071 0.000 1.266 111 I HN 0.514 nan 8.210 nan 0.000 0.434 112 G N 2.948 111.763 108.800 0.026 0.000 2.509 112 G HA2 0.680 4.639 3.960 -0.001 0.000 0.328 112 G HA3 0.680 4.639 3.960 -0.001 0.000 0.328 112 G C -1.255 173.668 174.900 0.037 0.000 1.194 112 G CA -0.425 44.688 45.100 0.022 0.000 0.967 112 G HN 0.494 nan 8.290 nan 0.000 0.488 113 S N -2.000 113.698 115.700 -0.003 0.000 2.556 113 S HA 0.605 5.074 4.470 -0.001 0.000 0.271 113 S C 0.981 175.545 174.600 -0.061 0.000 1.135 113 S CA 0.269 58.437 58.200 -0.053 0.000 0.858 113 S CB 1.478 64.561 63.200 -0.195 0.000 1.114 113 S HN 1.040 nan 8.310 nan 0.000 0.468 114 G N 1.484 110.258 108.800 -0.043 0.000 2.459 114 G HA2 0.173 4.133 3.960 -0.001 0.000 0.213 114 G HA3 0.173 4.133 3.960 -0.001 0.000 0.213 114 G C 0.826 175.713 174.900 -0.022 0.000 1.155 114 G CA 0.498 45.603 45.100 0.008 0.000 0.811 114 G HN 0.648 nan 8.290 nan 0.000 0.534 115 I N -1.123 119.395 120.570 -0.087 0.000 4.607 115 I HA 0.274 4.444 4.170 -0.001 0.000 0.324 115 I C 1.820 177.787 176.117 -0.250 0.000 1.279 115 I CA 0.425 61.663 61.300 -0.104 0.000 1.286 115 I CB 0.656 38.644 38.000 -0.019 0.000 1.265 115 I HN 0.323 nan 8.210 nan 0.000 0.446 116 G N 1.729 110.227 108.800 -0.503 0.000 2.591 116 G HA2 -0.327 3.632 3.960 -0.001 0.000 0.298 116 G HA3 -0.327 3.632 3.960 -0.001 0.000 0.298 116 G C 0.828 175.331 174.900 -0.662 0.000 1.195 116 G CA 0.075 44.524 45.100 -1.084 0.000 0.989 116 G HN 0.530 nan 8.290 nan 0.000 0.551 117 G N -0.086 108.542 108.800 -0.288 0.000 3.562 117 G HA2 0.457 4.417 3.960 -0.001 0.000 0.279 117 G HA3 0.457 4.417 3.960 -0.001 0.000 0.279 117 G C 1.321 176.247 174.900 0.042 0.000 1.314 117 G CA 0.751 45.904 45.100 0.088 0.000 1.189 117 G HN 0.916 nan 8.290 nan 0.000 0.562 118 I N -0.516 120.044 120.570 -0.016 0.000 2.208 118 I HA -0.199 3.971 4.170 -0.001 0.000 0.245 118 I C 2.501 178.620 176.117 0.003 0.000 1.097 118 I CA 1.793 63.087 61.300 -0.010 0.000 1.363 118 I CB 0.163 38.149 38.000 -0.022 0.000 1.051 118 I HN 0.453 nan 8.210 nan 0.000 0.413 119 E N 0.285 120.495 120.200 0.017 0.000 2.077 119 E HA -0.199 4.150 4.350 -0.001 0.000 0.193 119 E C 2.127 178.736 176.600 0.016 0.000 0.989 119 E CA 1.364 57.764 56.400 -0.000 0.000 0.800 119 E CB -0.373 29.329 29.700 0.003 0.000 0.746 119 E HN 0.601 nan 8.360 nan 0.000 0.452 120 G N 0.709 109.554 108.800 0.074 0.000 2.422 120 G HA2 -0.187 3.773 3.960 -0.001 0.000 0.218 120 G HA3 -0.187 3.773 3.960 -0.001 0.000 0.218 120 G C 1.542 176.560 174.900 0.196 0.000 1.140 120 G CA 0.632 45.811 45.100 0.132 0.000 0.775 120 G HN 0.246 nan 8.290 nan 0.000 0.545 121 I N 0.245 120.927 120.570 0.186 0.000 2.252 121 I HA -0.120 4.049 4.170 -0.001 0.000 0.245 121 I C 2.709 178.808 176.117 -0.029 0.000 1.102 121 I CA 0.386 61.821 61.300 0.225 0.000 1.385 121 I CB -0.112 37.983 38.000 0.158 0.000 1.064 121 I HN 0.010 nan 8.210 nan 0.000 0.414 122 V N 0.519 120.359 119.914 -0.122 0.000 2.343 122 V HA -0.225 3.894 4.120 -0.001 0.000 0.247 122 V C 2.486 178.229 176.094 -0.584 0.000 1.051 122 V CA 1.658 63.744 62.300 -0.356 0.000 1.036 122 V CB -0.548 31.092 31.823 -0.305 0.000 0.654 122 V HN 0.386 nan 8.190 nan 0.000 0.451 123 E N 0.261 120.286 120.200 -0.291 0.000 2.106 123 E HA -0.133 4.216 4.350 -0.001 0.000 0.192 123 E C 2.341 178.844 176.600 -0.161 0.000 0.984 123 E CA 1.429 57.731 56.400 -0.163 0.000 0.806 123 E CB -0.450 29.246 29.700 -0.006 0.000 0.750 123 E HN 0.569 nan 8.360 nan 0.000 0.458 124 A N 0.959 123.649 122.820 -0.217 0.000 1.969 124 A HA -0.039 4.281 4.320 -0.001 0.000 0.218 124 A C 2.450 179.840 177.584 -0.324 0.000 1.169 124 A CA 1.684 53.500 52.037 -0.368 0.000 0.635 124 A CB -0.919 17.532 19.000 -0.915 0.000 0.810 124 A HN 0.323 nan 8.150 nan 0.000 0.445 125 G N -1.209 107.404 108.800 -0.311 0.000 2.440 125 G HA2 -0.222 3.737 3.960 -0.001 0.000 0.218 125 G HA3 -0.222 3.737 3.960 -0.001 0.000 0.218 125 G C 1.422 176.261 174.900 -0.102 0.000 1.154 125 G CA 1.257 46.217 45.100 -0.234 0.000 0.767 125 G HN 0.503 nan 8.290 nan 0.000 0.552 126 Y N 1.375 121.634 120.300 -0.069 0.000 2.200 126 Y HA -0.044 4.505 4.550 -0.001 0.000 0.290 126 Y C 3.267 179.133 175.900 -0.057 0.000 1.137 126 Y CA 1.070 59.140 58.100 -0.051 0.000 1.163 126 Y CB -1.186 37.251 38.460 -0.038 0.000 0.988 126 Y HN 0.111 nan 8.280 nan 0.000 0.518 127 T N 0.869 115.466 114.554 0.071 0.000 2.684 127 T HA -0.195 4.155 4.350 -0.001 0.000 0.267 127 T C 2.060 176.748 174.700 -0.021 0.000 1.036 127 T CA 1.462 63.566 62.100 0.007 0.000 1.148 127 T CB -0.748 68.094 68.868 -0.044 0.000 0.863 127 T HN 0.196 nan 8.240 nan 0.000 0.436 128 L N 1.379 122.566 121.223 -0.060 0.000 2.012 128 L HA -0.054 4.285 4.340 -0.001 0.000 0.210 128 L C 2.454 179.311 176.870 -0.021 0.000 1.073 128 L CA 1.904 56.707 54.840 -0.061 0.000 0.748 128 L CB -0.542 41.462 42.059 -0.091 0.000 0.891 128 L HN 0.102 nan 8.230 nan 0.000 0.431 129 R N -1.039 119.464 120.500 0.006 0.000 2.075 129 R HA -0.102 4.238 4.340 -0.001 0.000 0.226 129 R C 1.760 178.070 176.300 0.016 0.000 1.114 129 R CA 1.623 57.735 56.100 0.020 0.000 0.972 129 R CB -0.185 30.145 30.300 0.050 0.000 0.869 129 R HN 0.411 nan 8.270 nan 0.000 0.437 130 D N 0.027 120.441 120.400 0.023 0.000 2.183 130 D HA -0.052 4.588 4.640 -0.001 0.000 0.205 130 D C 1.253 177.555 176.300 0.003 0.000 0.962 130 D CA 1.154 55.160 54.000 0.010 0.000 0.849 130 D CB 0.199 41.005 40.800 0.011 0.000 0.978 130 D HN 0.291 nan 8.370 nan 0.000 0.488 131 K N -0.389 120.013 120.400 0.002 0.000 2.399 131 K HA 0.379 4.699 4.320 -0.001 0.000 0.196 131 K C 0.819 177.414 176.600 -0.008 0.000 1.103 131 K CA 0.394 56.680 56.287 -0.003 0.000 0.986 131 K CB 2.037 34.537 32.500 -0.001 0.000 0.952 131 K HN 0.127 nan 8.250 nan 0.000 0.541 132 G N 2.139 110.931 108.800 -0.012 0.000 2.662 132 G HA2 -0.148 3.812 3.960 -0.001 0.000 0.686 132 G HA3 -0.148 3.812 3.960 -0.001 0.000 0.686 132 G C -2.459 172.426 174.900 -0.025 0.000 1.271 132 G CA -0.705 44.386 45.100 -0.016 0.000 0.816 132 G HN -0.187 nan 8.290 nan 0.000 0.608 133 P HA -0.115 nan 4.420 nan 0.000 0.218 133 P C 1.692 178.978 177.300 -0.024 0.000 1.148 133 P CA 1.222 64.305 63.100 -0.029 0.000 0.822 133 P CB -0.024 31.664 31.700 -0.019 0.000 0.784 134 R N -0.416 120.074 120.500 -0.016 0.000 2.193 134 R HA -0.030 4.309 4.340 -0.001 0.000 0.229 134 R C 2.039 178.332 176.300 -0.011 0.000 1.110 134 R CA 0.736 56.829 56.100 -0.012 0.000 0.988 134 R CB -0.306 29.989 30.300 -0.008 0.000 0.871 134 R HN 0.146 nan 8.270 nan 0.000 0.458 135 R N 0.438 120.929 120.500 -0.016 0.000 2.317 135 R HA 0.167 4.506 4.340 -0.001 0.000 0.208 135 R C 0.226 176.514 176.300 -0.019 0.000 0.914 135 R CA 0.001 56.094 56.100 -0.012 0.000 1.060 135 R CB 0.293 30.588 30.300 -0.009 0.000 1.015 135 R HN 0.070 nan 8.270 nan 0.000 0.498 136 I N 1.321 121.870 120.570 -0.036 0.000 2.529 136 I HA -0.017 4.152 4.170 -0.001 0.000 0.284 136 I C 1.102 177.221 176.117 0.004 0.000 1.082 136 I CA -0.095 61.171 61.300 -0.056 0.000 1.406 136 I CB 0.959 38.902 38.000 -0.096 0.000 1.405 136 I HN -0.077 nan 8.210 nan 0.000 0.548 137 S N 7.737 123.466 115.700 0.049 0.000 2.549 137 S HA 0.184 4.654 4.470 -0.001 0.000 0.283 137 S C -1.377 173.270 174.600 0.079 0.000 1.320 137 S CA -0.922 57.343 58.200 0.108 0.000 1.058 137 S CB 0.694 64.019 63.200 0.209 0.000 0.882 137 S HN 0.387 nan 8.310 nan 0.000 0.498 138 P HA 0.015 nan 4.420 nan 0.000 0.228 138 P C 0.091 177.174 177.300 -0.360 0.000 1.151 138 P CA 1.072 64.012 63.100 -0.268 0.000 0.770 138 P CB -0.015 31.390 31.700 -0.491 0.000 0.786 139 F N -3.496 116.519 119.950 0.108 0.000 2.664 139 F HA 0.200 4.727 4.527 -0.001 0.000 0.303 139 F C 1.808 177.687 175.800 0.131 0.000 1.092 139 F CA -0.495 57.566 58.000 0.101 0.000 1.305 139 F CB -0.384 38.669 39.000 0.088 0.000 1.054 139 F HN -0.170 nan 8.300 nan 0.000 0.565 140 F N 1.348 121.377 119.950 0.131 0.000 2.046 140 F HA -0.252 4.274 4.527 -0.001 0.000 0.297 140 F C 2.053 177.909 175.800 0.094 0.000 1.123 140 F CA 1.612 59.669 58.000 0.096 0.000 1.199 140 F CB -0.459 38.571 39.000 0.049 0.000 0.972 140 F HN -0.153 nan 8.300 nan 0.000 0.474 141 I N 1.859 122.280 120.570 -0.248 0.000 2.113 141 I HA -0.185 3.984 4.170 -0.001 0.000 0.238 141 I C -0.219 175.805 176.117 -0.155 0.000 1.070 141 I CA 1.691 62.783 61.300 -0.347 0.000 1.332 141 I CB -3.026 34.891 38.000 -0.140 0.000 1.044 141 I HN 0.133 nan 8.210 nan 0.000 0.402 142 P HA -0.097 nan 4.420 nan 0.000 0.218 142 P C 1.506 178.884 177.300 0.130 0.000 1.149 142 P CA 1.660 64.811 63.100 0.083 0.000 0.817 142 P CB -0.269 31.522 31.700 0.151 0.000 0.785 143 G N -0.981 107.884 108.800 0.108 0.000 2.848 143 G HA2 -0.128 3.831 3.960 -0.001 0.000 0.208 143 G HA3 -0.128 3.831 3.960 -0.001 0.000 0.208 143 G C 1.671 176.592 174.900 0.036 0.000 1.152 143 G CA 0.166 45.304 45.100 0.064 0.000 0.789 143 G HN 0.158 nan 8.290 nan 0.000 0.531 144 R N -1.050 119.464 120.500 0.024 0.000 2.369 144 R HA 0.366 4.705 4.340 -0.001 0.000 0.210 144 R C 0.745 177.128 176.300 0.137 0.000 0.881 144 R CA -0.295 55.844 56.100 0.065 0.000 1.031 144 R CB -0.060 30.118 30.300 -0.203 0.000 1.184 144 R HN 0.216 nan 8.270 nan 0.000 0.581 145 L N 1.162 122.446 121.223 0.102 0.000 2.410 145 L HA 0.136 4.476 4.340 -0.001 0.000 0.273 145 L C 1.421 178.436 176.870 0.242 0.000 1.152 145 L CA -0.030 54.873 54.840 0.105 0.000 0.855 145 L CB 0.638 42.733 42.059 0.060 0.000 1.129 145 L HN 0.091 nan 8.230 nan 0.000 0.463 146 I N 2.650 123.300 120.570 0.134 0.000 2.208 146 I HA -0.323 3.847 4.170 -0.001 0.000 0.245 146 I C 2.210 178.469 176.117 0.237 0.000 1.097 146 I CA 1.422 62.804 61.300 0.138 0.000 1.363 146 I CB -0.235 37.749 38.000 -0.026 0.000 1.051 146 I HN 0.867 nan 8.210 nan 0.000 0.413 147 N N 1.187 119.980 118.700 0.155 0.000 2.573 147 N HA -0.156 4.583 4.740 -0.001 0.000 0.187 147 N C 1.550 177.155 175.510 0.159 0.000 1.107 147 N CA 0.835 53.971 53.050 0.142 0.000 0.918 147 N CB -0.266 38.286 38.487 0.108 0.000 0.966 147 N HN 0.325 nan 8.380 nan 0.000 0.448 148 L N 0.407 121.747 121.223 0.195 0.000 2.552 148 L HA 0.163 4.502 4.340 -0.001 0.000 0.227 148 L C 2.313 179.327 176.870 0.240 0.000 1.146 148 L CA 0.547 55.511 54.840 0.206 0.000 0.858 148 L CB -1.082 41.115 42.059 0.232 0.000 0.969 148 L HN 0.203 nan 8.230 nan 0.000 0.451 149 A N -0.444 122.491 122.820 0.192 0.000 1.841 149 A HA -0.164 4.155 4.320 -0.001 0.000 0.214 149 A C 2.504 180.181 177.584 0.155 0.000 1.195 149 A CA 1.855 53.970 52.037 0.131 0.000 0.611 149 A CB -0.514 18.596 19.000 0.183 0.000 0.835 149 A HN 0.381 nan 8.150 nan 0.000 0.443 150 S N -0.271 115.516 115.700 0.145 0.000 2.383 150 S HA -0.104 4.366 4.470 -0.001 0.000 0.229 150 S C 2.021 176.693 174.600 0.120 0.000 1.030 150 S CA 1.248 59.522 58.200 0.123 0.000 1.002 150 S CB -0.688 62.579 63.200 0.111 0.000 0.829 150 S HN 0.788 nan 8.310 nan 0.000 0.467 151 G N -0.167 108.704 108.800 0.117 0.000 2.433 151 G HA2 -0.199 3.761 3.960 -0.001 0.000 0.216 151 G HA3 -0.199 3.761 3.960 -0.001 0.000 0.216 151 G C 1.164 176.085 174.900 0.036 0.000 1.186 151 G CA 0.635 45.770 45.100 0.058 0.000 0.779 151 G HN 0.501 nan 8.290 nan 0.000 0.543 152 Y N 0.309 120.619 120.300 0.017 0.000 2.224 152 Y HA -0.089 4.461 4.550 0.000 0.000 0.289 152 Y C 3.076 178.994 175.900 0.030 0.000 1.146 152 Y CA 1.042 59.143 58.100 0.003 0.000 1.182 152 Y CB -0.154 38.287 38.460 -0.032 0.000 0.983 152 Y HN 0.054 nan 8.280 nan 0.000 0.524 153 V N -1.379 118.667 119.914 0.219 0.000 2.379 153 V HA -0.275 3.844 4.120 -0.001 0.000 0.245 153 V C 2.457 178.681 176.094 0.217 0.000 1.044 153 V CA 1.906 64.342 62.300 0.226 0.000 1.036 153 V CB -0.821 31.124 31.823 0.204 0.000 0.664 153 V HN 0.432 nan 8.190 nan 0.000 0.453 154 S N -0.071 115.719 115.700 0.150 0.000 2.359 154 S HA -0.203 4.266 4.470 -0.001 0.000 0.224 154 S C 1.944 176.597 174.600 0.088 0.000 1.035 154 S CA 2.012 60.284 58.200 0.120 0.000 1.018 154 S CB -0.388 62.859 63.200 0.080 0.000 0.876 154 S HN 0.506 nan 8.310 nan 0.000 0.448 155 I N 1.228 121.818 120.570 0.035 0.000 2.226 155 I HA -0.145 4.024 4.170 -0.001 0.000 0.245 155 I C 2.664 178.765 176.117 -0.026 0.000 1.100 155 I CA 1.508 62.799 61.300 -0.016 0.000 1.374 155 I CB -0.331 37.617 38.000 -0.087 0.000 1.057 155 I HN 0.337 nan 8.210 nan 0.000 0.413 156 K N 0.387 120.763 120.400 -0.040 0.000 2.103 156 K HA -0.195 4.124 4.320 -0.001 0.000 0.207 156 K C 1.411 177.807 176.600 -0.340 0.000 1.048 156 K CA 1.792 57.949 56.287 -0.217 0.000 0.930 156 K CB -0.011 32.305 32.500 -0.308 0.000 0.716 156 K HN 0.345 nan 8.250 nan 0.000 0.444 157 Y N -1.188 119.159 120.300 0.077 0.000 2.500 157 Y HA 0.231 4.781 4.550 -0.001 0.000 0.246 157 Y C 0.797 176.731 175.900 0.056 0.000 1.146 157 Y CA -0.030 58.124 58.100 0.090 0.000 1.230 157 Y CB 1.673 40.204 38.460 0.118 0.000 1.214 157 Y HN 0.237 nan 8.280 nan 0.000 0.526 158 G N 1.629 110.513 108.800 0.140 0.000 2.246 158 G HA2 -0.284 3.676 3.960 -0.001 0.000 0.273 158 G HA3 -0.284 3.676 3.960 -0.001 0.000 0.273 158 G C -0.304 174.654 174.900 0.097 0.000 1.055 158 G CA -0.122 45.031 45.100 0.088 0.000 0.851 158 G HN 0.276 nan 8.290 nan 0.000 0.500 159 L N -0.562 120.733 121.223 0.120 0.000 2.261 159 L HA 0.487 4.826 4.340 -0.001 0.000 0.289 159 L C 1.478 178.398 176.870 0.084 0.000 1.059 159 L CA -0.482 54.427 54.840 0.115 0.000 0.816 159 L CB 1.034 43.175 42.059 0.136 0.000 1.191 159 L HN 0.185 nan 8.230 nan 0.000 0.431 160 R N 1.577 122.121 120.500 0.073 0.000 2.472 160 R HA 0.200 4.540 4.340 -0.001 0.000 0.279 160 R C 1.006 177.335 176.300 0.048 0.000 0.953 160 R CA -0.228 55.903 56.100 0.053 0.000 1.088 160 R CB 1.007 31.333 30.300 0.044 0.000 1.197 160 R HN 0.761 nan 8.270 nan 0.000 0.536 161 G N 1.767 110.601 108.800 0.056 0.000 2.553 161 G HA2 0.184 4.143 3.960 -0.001 0.000 0.278 161 G HA3 0.184 4.143 3.960 -0.001 0.000 0.278 161 G C -2.256 172.666 174.900 0.037 0.000 1.349 161 G CA -1.048 44.078 45.100 0.043 0.000 1.037 161 G HN -0.110 nan 8.290 nan 0.000 0.508 162 P HA 0.004 nan 4.420 nan 0.000 0.260 162 P C -0.495 176.841 177.300 0.060 0.000 1.172 162 P CA 0.348 63.468 63.100 0.032 0.000 0.760 162 P CB 0.345 32.066 31.700 0.035 0.000 0.773 163 N N 3.025 121.761 118.700 0.059 0.000 2.479 163 N HA 0.214 4.954 4.740 -0.001 0.000 0.261 163 N C -1.319 174.272 175.510 0.136 0.000 0.979 163 N CA -0.190 52.912 53.050 0.087 0.000 0.930 163 N CB 0.425 38.948 38.487 0.060 0.000 1.172 163 N HN 0.432 nan 8.380 nan 0.000 0.499 164 H N 0.759 119.846 119.070 0.030 0.000 2.990 164 H HA 0.616 5.171 4.556 -0.001 0.000 0.343 164 H C -1.622 173.727 175.328 0.035 0.000 1.270 164 H CA -0.481 55.584 56.048 0.028 0.000 1.118 164 H CB 1.910 31.684 29.762 0.021 0.000 1.861 164 H HN 0.389 nan 8.280 nan 0.000 0.544 165 S N 1.258 116.990 115.700 0.054 0.000 2.535 165 S HA 0.615 5.084 4.470 -0.001 0.000 0.272 165 S C -1.485 173.011 174.600 -0.173 0.000 1.149 165 S CA -0.057 58.104 58.200 -0.064 0.000 0.888 165 S CB 0.358 63.595 63.200 0.062 0.000 1.110 165 S HN 0.784 nan 8.310 nan 0.000 0.463 166 V N 1.145 120.976 119.914 -0.139 0.000 3.074 166 V HA 1.015 5.134 4.120 -0.001 0.000 0.314 166 V C -0.776 175.291 176.094 -0.045 0.000 1.117 166 V CA -0.716 61.517 62.300 -0.112 0.000 1.014 166 V CB 1.611 33.357 31.823 -0.129 0.000 1.057 166 V HN 1.014 nan 8.190 nan 0.000 0.438 167 V N 2.764 122.655 119.914 -0.039 0.000 2.559 167 V HA 0.696 4.816 4.120 -0.001 0.000 0.289 167 V C 0.079 176.172 176.094 -0.001 0.000 1.036 167 V CA 0.822 63.114 62.300 -0.012 0.000 0.887 167 V CB 1.770 33.584 31.823 -0.016 0.000 1.022 167 V HN 1.500 nan 8.190 nan 0.000 0.442 168 T N 3.373 117.953 114.554 0.044 0.000 3.884 168 T HA 0.710 5.060 4.350 -0.001 0.000 0.284 168 T C 0.727 175.513 174.700 0.143 0.000 0.961 168 T CA 0.901 63.051 62.100 0.083 0.000 1.071 168 T CB 0.550 69.464 68.868 0.076 0.000 1.121 168 T HN 2.291 nan 8.240 nan 0.000 0.496 169 A N 0.879 123.785 122.820 0.142 0.000 5.395 169 A HA -0.328 3.992 4.320 -0.001 0.000 0.324 169 A C 2.001 179.675 177.584 0.149 0.000 1.813 169 A CA 1.521 53.679 52.037 0.201 0.000 0.714 169 A CB -2.022 17.189 19.000 0.351 0.000 1.374 169 A HN 1.285 nan 8.150 nan 0.000 0.390 170 C N 0.541 119.927 119.300 0.142 0.000 2.422 170 C HA 0.204 4.664 4.460 -0.001 0.000 0.286 170 C C 2.666 177.712 174.990 0.093 0.000 1.412 170 C CA 1.426 60.532 59.018 0.148 0.000 1.786 170 C CB -1.882 25.979 27.740 0.202 0.000 1.835 170 C HN 1.344 nan 8.230 nan 0.000 0.533 171 S N -0.616 115.133 115.700 0.081 0.000 2.557 171 S HA 0.008 4.477 4.470 -0.001 0.000 0.223 171 S C 1.117 175.791 174.600 0.123 0.000 0.969 171 S CA 0.493 58.716 58.200 0.039 0.000 0.927 171 S CB -0.688 62.524 63.200 0.020 0.000 0.806 171 S HN 0.507 nan 8.310 nan 0.000 0.489 172 T N 2.642 117.278 114.554 0.137 0.000 2.635 172 T HA -0.083 4.267 4.350 -0.001 0.000 0.267 172 T C 1.963 176.705 174.700 0.069 0.000 1.040 172 T CA 2.026 64.201 62.100 0.126 0.000 1.156 172 T CB -1.042 67.865 68.868 0.065 0.000 0.863 172 T HN 0.658 nan 8.240 nan 0.000 0.430 173 G N 0.461 109.268 108.800 0.012 0.000 2.443 173 G HA2 0.077 4.036 3.960 -0.001 0.000 0.219 173 G HA3 0.077 4.036 3.960 -0.001 0.000 0.219 173 G C 1.718 176.575 174.900 -0.072 0.000 1.131 173 G CA 0.863 45.942 45.100 -0.035 0.000 0.775 173 G HN 0.593 nan 8.290 nan 0.000 0.547 174 A N 0.546 123.315 122.820 -0.085 0.000 1.874 174 A HA 0.073 4.392 4.320 -0.001 0.000 0.214 174 A C 2.006 179.493 177.584 -0.162 0.000 1.189 174 A CA 1.580 53.527 52.037 -0.149 0.000 0.615 174 A CB -0.676 18.214 19.000 -0.184 0.000 0.830 174 A HN 0.447 nan 8.150 nan 0.000 0.443 175 H N -0.234 118.834 119.070 -0.004 0.000 2.352 175 H HA -0.060 4.496 4.556 -0.001 0.000 0.299 175 H C 2.447 177.710 175.328 -0.107 0.000 1.097 175 H CA 1.604 57.675 56.048 0.039 0.000 1.311 175 H CB -0.029 29.780 29.762 0.079 0.000 1.377 175 H HN 0.535 nan 8.280 nan 0.000 0.504 176 A N 0.634 123.459 122.820 0.009 0.000 1.902 176 A HA -0.157 4.163 4.320 -0.001 0.000 0.217 176 A C 2.364 179.866 177.584 -0.137 0.000 1.181 176 A CA 1.614 53.611 52.037 -0.066 0.000 0.623 176 A CB -0.620 18.348 19.000 -0.054 0.000 0.818 176 A HN 0.368 nan 8.150 nan 0.000 0.443 177 I N -0.661 119.797 120.570 -0.186 0.000 2.286 177 I HA -0.138 4.032 4.170 -0.001 0.000 0.245 177 I C 2.698 178.608 176.117 -0.346 0.000 1.104 177 I CA 1.013 62.178 61.300 -0.224 0.000 1.397 177 I CB -0.574 37.301 38.000 -0.207 0.000 1.072 177 I HN 0.401 nan 8.210 nan 0.000 0.417 178 G N 0.356 108.779 108.800 -0.629 0.000 2.418 178 G HA2 -0.229 3.730 3.960 -0.001 0.000 0.217 178 G HA3 -0.229 3.730 3.960 -0.001 0.000 0.217 178 G C 1.248 175.746 174.900 -0.669 0.000 1.158 178 G CA 0.827 45.189 45.100 -1.230 0.000 0.771 178 G HN 0.259 nan 8.290 nan 0.000 0.545 179 D N 0.882 121.076 120.400 -0.343 0.000 2.117 179 D HA 0.017 4.656 4.640 -0.001 0.000 0.198 179 D C 2.809 179.089 176.300 -0.034 0.000 0.982 179 D CA 1.156 55.141 54.000 -0.024 0.000 0.828 179 D CB -0.385 40.433 40.800 0.030 0.000 0.967 179 D HN 0.290 nan 8.370 nan 0.000 0.464 180 A N 0.902 123.669 122.820 -0.088 0.000 1.930 180 A HA 0.008 4.327 4.320 -0.001 0.000 0.217 180 A C 2.283 179.823 177.584 -0.074 0.000 1.175 180 A CA 1.946 53.945 52.037 -0.063 0.000 0.627 180 A CB -0.623 18.328 19.000 -0.080 0.000 0.815 180 A HN 0.219 nan 8.150 nan 0.000 0.443 181 A N -0.137 122.616 122.820 -0.112 0.000 1.933 181 A HA -0.163 4.157 4.320 -0.001 0.000 0.218 181 A C 2.243 179.799 177.584 -0.046 0.000 1.175 181 A CA 1.527 53.507 52.037 -0.095 0.000 0.628 181 A CB -0.438 18.488 19.000 -0.122 0.000 0.814 181 A HN 0.543 nan 8.150 nan 0.000 0.444 182 R N -0.722 119.770 120.500 -0.014 0.000 2.092 182 R HA 0.026 4.366 4.340 -0.001 0.000 0.231 182 R C 1.990 178.302 176.300 0.020 0.000 1.119 182 R CA 1.178 57.298 56.100 0.033 0.000 0.970 182 R CB -0.453 29.904 30.300 0.095 0.000 0.864 182 R HN 0.503 nan 8.270 nan 0.000 0.440 183 L N 0.376 121.608 121.223 0.014 0.000 2.083 183 L HA -0.199 4.141 4.340 -0.001 0.000 0.209 183 L C 2.239 179.101 176.870 -0.014 0.000 1.083 183 L CA 1.284 56.131 54.840 0.011 0.000 0.752 183 L CB -0.280 41.790 42.059 0.019 0.000 0.899 183 L HN 0.203 nan 8.230 nan 0.000 0.433 184 I N -0.606 119.943 120.570 -0.035 0.000 2.277 184 I HA -0.199 3.970 4.170 -0.001 0.000 0.243 184 I C 2.754 178.847 176.117 -0.041 0.000 1.094 184 I CA 0.959 62.224 61.300 -0.058 0.000 1.393 184 I CB -0.439 37.505 38.000 -0.093 0.000 1.078 184 I HN 0.149 nan 8.210 nan 0.000 0.417 185 A N 0.720 123.524 122.820 -0.027 0.000 1.978 185 A HA -0.141 4.179 4.320 -0.001 0.000 0.220 185 A C 2.188 179.770 177.584 -0.004 0.000 1.170 185 A CA 1.488 53.518 52.037 -0.012 0.000 0.636 185 A CB -0.706 18.295 19.000 0.002 0.000 0.810 185 A HN 0.438 nan 8.150 nan 0.000 0.448 186 L N -1.818 119.405 121.223 -0.000 0.000 2.567 186 L HA 0.228 4.568 4.340 -0.001 0.000 0.225 186 L C 1.657 178.527 176.870 0.000 0.000 1.119 186 L CA 0.555 55.398 54.840 0.005 0.000 0.871 186 L CB 0.104 42.171 42.059 0.013 0.000 1.036 186 L HN 0.582 nan 8.230 nan 0.000 0.459 187 G N -0.398 108.397 108.800 -0.008 0.000 2.157 187 G HA2 -0.267 3.692 3.960 -0.001 0.000 0.239 187 G HA3 -0.267 3.692 3.960 -0.001 0.000 0.239 187 G C 0.512 175.406 174.900 -0.009 0.000 0.982 187 G CA 0.352 45.446 45.100 -0.010 0.000 0.650 187 G HN 0.286 nan 8.290 nan 0.000 0.527 188 D N 0.519 120.914 120.400 -0.008 0.000 2.269 188 D HA 0.452 5.092 4.640 -0.001 0.000 0.208 188 D C 1.388 177.682 176.300 -0.011 0.000 0.963 188 D CA 1.782 55.779 54.000 -0.005 0.000 0.864 188 D CB 0.248 41.049 40.800 0.002 0.000 0.936 188 D HN 1.180 nan 8.370 nan 0.000 0.505 189 A N -0.477 122.326 122.820 -0.028 0.000 2.612 189 A HA 0.453 4.772 4.320 -0.001 0.000 0.293 189 A C -0.503 177.021 177.584 -0.099 0.000 1.075 189 A CA -0.611 51.397 52.037 -0.048 0.000 0.680 189 A CB 1.183 20.157 19.000 -0.043 0.000 1.279 189 A HN -0.224 nan 8.150 nan 0.000 0.411 190 D N -0.606 119.700 120.400 -0.157 0.000 2.423 190 D HA 0.293 4.933 4.640 -0.001 0.000 0.212 190 D C -0.077 175.949 176.300 -0.457 0.000 1.060 190 D CA 1.120 54.937 54.000 -0.305 0.000 0.872 190 D CB 1.049 41.612 40.800 -0.394 0.000 1.012 190 D HN 0.266 nan 8.370 nan 0.000 0.503 191 V N 1.581 121.280 119.914 -0.358 0.000 2.808 191 V HA 0.455 4.575 4.120 -0.001 0.000 0.308 191 V C -0.687 175.300 176.094 -0.178 0.000 1.099 191 V CA -0.658 61.420 62.300 -0.370 0.000 0.920 191 V CB 2.665 34.152 31.823 -0.560 0.000 1.014 191 V HN -0.086 nan 8.190 nan 0.000 0.425 192 M N 4.621 124.126 119.600 -0.158 0.000 2.386 192 M HA 0.546 5.026 4.480 -0.001 0.000 0.293 192 M C -1.049 175.201 176.300 -0.083 0.000 1.120 192 M CA -0.402 54.847 55.300 -0.085 0.000 0.909 192 M CB 2.175 34.731 32.600 -0.073 0.000 1.661 192 M HN 0.436 nan 8.290 nan 0.000 0.452 193 L N 2.534 123.732 121.223 -0.042 0.000 2.319 193 L HA 0.728 5.068 4.340 -0.001 0.000 0.280 193 L C 0.134 176.981 176.870 -0.038 0.000 1.099 193 L CA -0.339 54.476 54.840 -0.042 0.000 0.828 193 L CB 1.082 43.133 42.059 -0.012 0.000 1.150 193 L HN 0.870 nan 8.230 nan 0.000 0.442 194 A N 2.616 125.400 122.820 -0.060 0.000 2.515 194 A HA 0.948 5.267 4.320 -0.001 0.000 0.298 194 A C -0.233 177.309 177.584 -0.071 0.000 1.059 194 A CA 0.209 52.209 52.037 -0.063 0.000 0.698 194 A CB 1.984 20.932 19.000 -0.088 0.000 1.289 194 A HN 0.834 nan 8.150 nan 0.000 0.404 195 G N -0.599 108.167 108.800 -0.057 0.000 2.404 195 G HA2 0.645 4.605 3.960 -0.001 0.000 0.253 195 G HA3 0.645 4.605 3.960 -0.001 0.000 0.253 195 G C -0.279 174.603 174.900 -0.029 0.000 1.253 195 G CA 0.397 45.461 45.100 -0.060 0.000 0.917 195 G HN 2.043 nan 8.290 nan 0.000 0.480 196 G N -1.597 107.190 108.800 -0.022 0.000 2.690 196 G HA2 0.777 4.736 3.960 -0.001 0.000 0.293 196 G HA3 0.777 4.736 3.960 -0.001 0.000 0.293 196 G C -1.270 173.651 174.900 0.035 0.000 1.399 196 G CA 0.610 45.715 45.100 0.009 0.000 0.890 196 G HN 1.335 nan 8.290 nan 0.000 0.485 197 T N -0.902 113.701 114.554 0.081 0.000 2.923 197 T HA 0.674 5.024 4.350 -0.001 0.000 0.311 197 T C -1.756 173.036 174.700 0.154 0.000 1.183 197 T CA -0.431 61.757 62.100 0.147 0.000 1.020 197 T CB 2.223 71.228 68.868 0.228 0.000 1.165 197 T HN 0.680 nan 8.240 nan 0.000 0.482 198 E N 0.877 121.198 120.200 0.202 0.000 2.354 198 E HA 0.521 4.871 4.350 -0.001 0.000 0.283 198 E C -1.325 175.438 176.600 0.271 0.000 0.938 198 E CA -0.531 55.965 56.400 0.160 0.000 0.777 198 E CB 1.738 31.475 29.700 0.061 0.000 1.222 198 E HN 0.547 nan 8.360 nan 0.000 0.423 199 S N 3.380 119.210 115.700 0.217 0.000 2.128 199 S HA 0.410 4.879 4.470 -0.001 0.000 0.157 199 S C -2.191 172.500 174.600 0.151 0.000 1.650 199 S CA -0.931 57.407 58.200 0.231 0.000 1.269 199 S CB 1.037 64.313 63.200 0.127 0.000 1.227 199 S HN 0.448 nan 8.310 nan 0.000 0.405 200 P HA 0.373 nan 4.420 nan 0.000 0.267 200 P C 0.017 177.409 177.300 0.154 0.000 1.289 200 P CA -0.169 63.009 63.100 0.130 0.000 0.866 200 P CB 0.066 31.835 31.700 0.114 0.000 1.309 201 I N 2.136 122.813 120.570 0.178 0.000 2.278 201 I HA 0.089 4.258 4.170 -0.001 0.000 0.300 201 I C -0.044 176.215 176.117 0.237 0.000 1.174 201 I CA -0.092 61.355 61.300 0.247 0.000 1.347 201 I CB -0.779 37.381 38.000 0.266 0.000 1.473 201 I HN 0.087 nan 8.210 nan 0.000 0.595 202 N N 3.209 121.968 118.700 0.098 0.000 2.927 202 N HA 0.391 5.131 4.740 -0.001 0.000 0.248 202 N C 0.143 175.521 175.510 -0.219 0.000 1.443 202 N CA -1.085 51.776 53.050 -0.315 0.000 0.870 202 N CB 0.952 39.314 38.487 -0.208 0.000 1.444 202 N HN 0.024 nan 8.380 nan 0.000 0.519 203 R N -0.636 119.625 120.500 -0.398 0.000 2.081 203 R HA 0.006 4.346 4.340 -0.001 0.000 0.235 203 R C 1.486 177.783 176.300 -0.005 0.000 1.131 203 R CA 1.274 57.317 56.100 -0.095 0.000 0.960 203 R CB -0.580 29.673 30.300 -0.078 0.000 0.856 203 R HN 0.601 nan 8.270 nan 0.000 0.436 204 I N 0.735 121.286 120.570 -0.031 0.000 2.226 204 I HA -0.242 3.928 4.170 -0.001 0.000 0.245 204 I C 1.746 177.871 176.117 0.013 0.000 1.100 204 I CA 1.680 62.975 61.300 -0.008 0.000 1.374 204 I CB -0.125 37.858 38.000 -0.029 0.000 1.057 204 I HN -0.021 nan 8.210 nan 0.000 0.413 205 S N 0.255 115.987 115.700 0.052 0.000 2.371 205 S HA -0.052 4.417 4.470 -0.001 0.000 0.224 205 S C 1.961 176.709 174.600 0.247 0.000 1.029 205 S CA 1.330 59.620 58.200 0.151 0.000 0.978 205 S CB -0.444 62.890 63.200 0.223 0.000 0.833 205 S HN 0.431 nan 8.310 nan 0.000 0.466 206 L N 1.182 122.522 121.223 0.195 0.000 2.046 206 L HA -0.117 4.223 4.340 -0.001 0.000 0.208 206 L C 2.765 179.717 176.870 0.136 0.000 1.077 206 L CA 1.237 56.193 54.840 0.194 0.000 0.747 206 L CB -0.617 41.560 42.059 0.196 0.000 0.896 206 L HN 0.322 nan 8.230 nan 0.000 0.432 207 A N 0.068 122.941 122.820 0.088 0.000 1.930 207 A HA -0.096 4.224 4.320 -0.001 0.000 0.217 207 A C 2.387 179.976 177.584 0.009 0.000 1.175 207 A CA 1.621 53.686 52.037 0.046 0.000 0.627 207 A CB -1.182 17.837 19.000 0.031 0.000 0.815 207 A HN 0.440 nan 8.150 nan 0.000 0.443 208 G N -1.198 107.587 108.800 -0.025 0.000 2.421 208 G HA2 -0.141 3.818 3.960 -0.001 0.000 0.216 208 G HA3 -0.141 3.818 3.960 -0.001 0.000 0.216 208 G C 1.316 176.095 174.900 -0.201 0.000 1.171 208 G CA 1.088 46.095 45.100 -0.155 0.000 0.775 208 G HN 0.424 nan 8.290 nan 0.000 0.543 209 F N 1.422 121.347 119.950 -0.042 0.000 2.325 209 F HA 0.083 4.609 4.527 -0.001 0.000 0.299 209 F C 2.999 178.747 175.800 -0.087 0.000 1.090 209 F CA 1.067 59.026 58.000 -0.068 0.000 1.392 209 F CB -0.011 38.960 39.000 -0.049 0.000 1.053 209 F HN 0.063 nan 8.300 nan 0.000 0.521 210 S N -0.114 115.642 115.700 0.094 0.000 2.383 210 S HA -0.137 4.333 4.470 -0.001 0.000 0.227 210 S C 2.373 176.982 174.600 0.015 0.000 1.026 210 S CA 0.966 59.186 58.200 0.034 0.000 0.981 210 S CB -0.528 62.692 63.200 0.034 0.000 0.818 210 S HN 0.355 nan 8.310 nan 0.000 0.472 211 A N 0.788 123.607 122.820 -0.002 0.000 1.969 211 A HA -0.133 4.186 4.320 -0.001 0.000 0.218 211 A C 2.163 179.740 177.584 -0.012 0.000 1.169 211 A CA 1.493 53.520 52.037 -0.016 0.000 0.635 211 A CB -0.939 18.038 19.000 -0.039 0.000 0.810 211 A HN 0.776 nan 8.150 nan 0.000 0.445 212 C N -2.677 116.614 119.300 -0.015 0.000 2.614 212 C HA 0.599 5.059 4.460 -0.001 0.000 0.299 212 C C 1.020 176.041 174.990 0.051 0.000 1.293 212 C CA -0.627 58.398 59.018 0.012 0.000 1.713 212 C CB -1.686 26.047 27.740 -0.012 0.000 1.890 212 C HN 0.547 nan 8.230 nan 0.000 0.602 213 R N -0.384 120.137 120.500 0.035 0.000 3.416 213 R HA -0.235 4.105 4.340 -0.001 0.000 0.263 213 R C 1.115 177.438 176.300 0.037 0.000 1.053 213 R CA 0.556 56.674 56.100 0.029 0.000 0.705 213 R CB -1.653 28.666 30.300 0.031 0.000 1.124 213 R HN 0.832 nan 8.270 nan 0.000 0.444 214 A N -0.004 122.837 122.820 0.035 0.000 2.132 214 A HA 0.168 4.487 4.320 -0.001 0.000 0.213 214 A C 0.982 178.361 177.584 -0.342 0.000 1.154 214 A CA 0.382 52.429 52.037 0.018 0.000 0.753 214 A CB 0.399 19.547 19.000 0.247 0.000 0.826 214 A HN 0.240 nan 8.150 nan 0.000 0.469 215 L N -0.072 120.959 121.223 -0.319 0.000 2.334 215 L HA 0.350 4.690 4.340 -0.001 0.000 0.275 215 L C 0.665 177.429 176.870 -0.176 0.000 1.036 215 L CA -0.620 53.979 54.840 -0.402 0.000 0.807 215 L CB 1.654 43.542 42.059 -0.284 0.000 1.231 215 L HN 0.158 nan 8.230 nan 0.000 0.438 216 S N 0.213 115.830 115.700 -0.139 0.000 2.549 216 S HA 0.090 4.559 4.470 -0.001 0.000 0.286 216 S C 0.819 175.396 174.600 -0.039 0.000 1.314 216 S CA 0.210 58.377 58.200 -0.054 0.000 1.062 216 S CB 0.389 63.575 63.200 -0.024 0.000 0.865 216 S HN 0.822 nan 8.310 nan 0.000 0.498 217 T N -0.073 114.469 114.554 -0.020 0.000 2.986 217 T HA 0.047 4.396 4.350 -0.001 0.000 0.264 217 T C 1.484 176.182 174.700 -0.003 0.000 0.964 217 T CA 0.410 62.503 62.100 -0.011 0.000 0.895 217 T CB -0.969 67.894 68.868 -0.008 0.000 1.163 217 T HN 0.812 nan 8.240 nan 0.000 0.517 218 C N 1.114 120.413 119.300 -0.001 0.000 2.791 218 C HA 0.557 5.016 4.460 -0.001 0.000 0.270 218 C C 1.373 176.365 174.990 0.003 0.000 1.257 218 C CA -0.813 58.207 59.018 0.002 0.000 1.699 218 C CB -1.420 26.323 27.740 0.005 0.000 1.904 218 C HN 0.374 nan 8.230 nan 0.000 0.603 219 R N 0.747 121.249 120.500 0.002 0.000 2.668 219 R HA 0.196 4.535 4.340 -0.001 0.000 0.435 219 R C 0.594 176.895 176.300 0.002 0.000 1.059 219 R CA -0.269 55.833 56.100 0.004 0.000 1.073 219 R CB -0.182 30.122 30.300 0.006 0.000 1.401 219 R HN 0.390 nan 8.270 nan 0.000 0.590 220 N N 1.022 119.722 118.700 0.000 0.000 2.364 220 N HA -0.136 4.604 4.740 -0.001 0.000 0.183 220 N C 0.406 175.915 175.510 -0.003 0.000 1.022 220 N CA 1.256 54.305 53.050 -0.002 0.000 0.883 220 N CB 0.212 38.697 38.487 -0.002 0.000 0.965 220 N HN 0.291 nan 8.380 nan 0.000 0.438 221 D N -0.367 120.032 120.400 -0.001 0.000 2.349 221 D HA 0.003 4.643 4.640 -0.001 0.000 0.214 221 D C -0.221 176.079 176.300 0.000 0.000 1.063 221 D CA 0.419 54.418 54.000 -0.001 0.000 0.847 221 D CB 0.398 41.198 40.800 -0.000 0.000 0.933 221 D HN 0.091 nan 8.370 nan 0.000 0.513 222 D N -0.334 120.067 120.400 0.002 0.000 2.849 222 D HA 0.148 4.787 4.640 -0.001 0.000 0.314 222 D C -1.894 174.409 176.300 0.005 0.000 1.210 222 D CA -1.788 52.214 54.000 0.004 0.000 0.756 222 D CB 1.119 41.922 40.800 0.005 0.000 1.222 222 D HN -0.201 nan 8.370 nan 0.000 0.521 223 P HA -0.159 nan 4.420 nan 0.000 0.216 223 P C 0.979 178.285 177.300 0.010 0.000 1.154 223 P CA 1.120 64.224 63.100 0.006 0.000 0.865 223 P CB 0.325 32.027 31.700 0.003 0.000 0.789 224 E N -1.216 118.990 120.200 0.009 0.000 2.409 224 E HA -0.116 4.233 4.350 -0.001 0.000 0.198 224 E C 1.564 178.173 176.600 0.015 0.000 1.024 224 E CA 0.496 56.903 56.400 0.011 0.000 0.861 224 E CB -0.143 29.562 29.700 0.008 0.000 0.788 224 E HN 0.067 nan 8.360 nan 0.000 0.521 225 R N -0.359 120.150 120.500 0.015 0.000 2.362 225 R HA 0.206 4.545 4.340 -0.001 0.000 0.227 225 R C 1.541 177.851 176.300 0.018 0.000 0.905 225 R CA 0.425 56.536 56.100 0.019 0.000 1.067 225 R CB -0.097 30.214 30.300 0.019 0.000 1.078 225 R HN 0.088 nan 8.270 nan 0.000 0.516 226 A N -0.206 122.624 122.820 0.015 0.000 1.873 226 A HA -0.025 4.295 4.320 -0.001 0.000 0.215 226 A C 1.201 178.794 177.584 0.016 0.000 1.186 226 A CA 1.125 53.171 52.037 0.014 0.000 0.616 226 A CB -0.278 18.730 19.000 0.014 0.000 0.823 226 A HN 0.194 nan 8.150 nan 0.000 0.442 227 S N 0.772 116.483 115.700 0.019 0.000 2.400 227 S HA 0.396 4.866 4.470 -0.001 0.000 0.295 227 S C 0.256 174.855 174.600 -0.001 0.000 1.113 227 S CA -0.636 57.573 58.200 0.014 0.000 1.064 227 S CB -0.213 63.000 63.200 0.022 0.000 0.990 227 S HN 0.483 nan 8.310 nan 0.000 0.502 228 R N 3.570 124.062 120.500 -0.014 0.000 2.655 228 R HA 0.331 4.671 4.340 -0.001 0.000 0.261 228 R C -3.272 172.995 176.300 -0.055 0.000 1.624 228 R CA -1.764 54.326 56.100 -0.016 0.000 1.655 228 R CB 0.032 30.336 30.300 0.006 0.000 1.356 228 R HN 0.294 nan 8.270 nan 0.000 0.684 229 P HA -0.097 nan 4.420 nan 0.000 0.263 229 P C -0.598 176.559 177.300 -0.238 0.000 1.175 229 P CA 0.538 63.441 63.100 -0.328 0.000 0.761 229 P CB 0.015 31.472 31.700 -0.406 0.000 0.794 230 Y N -1.343 118.949 120.300 -0.013 0.000 4.784 230 Y HA -0.304 4.246 4.550 -0.001 0.000 0.278 230 Y C 0.718 176.611 175.900 -0.010 0.000 0.980 230 Y CA 1.256 59.348 58.100 -0.013 0.000 1.845 230 Y CB -2.589 35.858 38.460 -0.023 0.000 1.177 230 Y HN 0.340 nan 8.280 nan 0.000 0.460 231 D N 0.483 120.932 120.400 0.082 0.000 2.345 231 D HA 0.321 4.961 4.640 -0.001 0.000 0.247 231 D C 1.098 177.424 176.300 0.042 0.000 1.108 231 D CA 0.522 54.556 54.000 0.057 0.000 0.894 231 D CB 1.506 42.328 40.800 0.038 0.000 1.203 231 D HN 0.046 nan 8.370 nan 0.000 0.430 232 V N 3.120 123.059 119.914 0.042 0.000 2.568 232 V HA -0.170 3.949 4.120 -0.001 0.000 0.253 232 V C 0.697 176.807 176.094 0.026 0.000 1.072 232 V CA 1.894 64.214 62.300 0.034 0.000 1.084 232 V CB -0.260 31.582 31.823 0.031 0.000 0.676 232 V HN 0.634 nan 8.190 nan 0.000 0.469 233 D N -0.001 120.414 120.400 0.025 0.000 2.342 233 D HA 0.078 4.718 4.640 -0.001 0.000 0.221 233 D C 0.840 177.149 176.300 0.016 0.000 1.101 233 D CA -0.106 53.906 54.000 0.020 0.000 0.837 233 D CB -0.044 40.769 40.800 0.021 0.000 0.938 233 D HN 0.660 nan 8.370 nan 0.000 0.508 234 R N 1.506 122.014 120.500 0.013 0.000 2.643 234 R HA 0.122 4.462 4.340 -0.001 0.000 0.270 234 R C 0.062 176.368 176.300 0.011 0.000 1.061 234 R CA 0.189 56.292 56.100 0.006 0.000 1.107 234 R CB 0.466 30.759 30.300 -0.011 0.000 0.999 234 R HN -0.177 nan 8.270 nan 0.000 0.460 235 D N 0.417 120.823 120.400 0.010 0.000 2.740 235 D HA 0.204 4.843 4.640 -0.001 0.000 0.305 235 D C 0.055 176.359 176.300 0.006 0.000 1.583 235 D CA 0.112 54.119 54.000 0.011 0.000 0.790 235 D CB 0.376 41.180 40.800 0.007 0.000 1.187 235 D HN 0.913 nan 8.370 nan 0.000 0.447 236 G N 0.438 109.249 108.800 0.019 0.000 2.392 236 G HA2 0.246 4.206 3.960 -0.001 0.000 0.677 236 G HA3 0.246 4.206 3.960 -0.001 0.000 0.677 236 G C -0.606 174.320 174.900 0.044 0.000 1.334 236 G CA -0.665 44.444 45.100 0.015 0.000 0.961 236 G HN 0.329 nan 8.290 nan 0.000 0.616 237 F N -0.524 119.453 119.950 0.044 0.000 2.378 237 F HA 0.810 5.337 4.527 -0.001 0.000 0.319 237 F C 0.236 176.051 175.800 0.026 0.000 1.155 237 F CA -1.415 56.602 58.000 0.027 0.000 1.157 237 F CB 1.222 40.260 39.000 0.063 0.000 1.252 237 F HN 0.396 nan 8.300 nan 0.000 0.550 238 V N 4.402 124.508 119.914 0.320 0.000 2.384 238 V HA 0.234 4.354 4.120 -0.001 0.000 0.287 238 V C 0.149 176.434 176.094 0.318 0.000 1.020 238 V CA -0.871 61.547 62.300 0.196 0.000 0.850 238 V CB 1.317 33.204 31.823 0.107 0.000 0.987 238 V HN 0.982 nan 8.190 nan 0.000 0.436 239 M N 4.777 124.521 119.600 0.240 0.000 2.219 239 M HA 0.544 5.023 4.480 -0.001 0.000 0.353 239 M C 0.465 176.836 176.300 0.119 0.000 1.304 239 M CA 0.512 55.934 55.300 0.203 0.000 1.115 239 M CB 0.486 33.158 32.600 0.121 0.000 1.664 239 M HN 0.757 nan 8.290 nan 0.000 0.459 240 G N 3.669 112.517 108.800 0.081 0.000 3.016 240 G HA2 0.739 4.698 3.960 -0.001 0.000 0.270 240 G HA3 0.739 4.698 3.960 -0.001 0.000 0.270 240 G C -1.689 173.236 174.900 0.040 0.000 1.352 240 G CA -0.687 44.446 45.100 0.055 0.000 1.060 240 G HN 0.838 nan 8.290 nan 0.000 0.538 241 E N -2.357 117.852 120.200 0.014 0.000 2.412 241 E HA 0.678 5.027 4.350 -0.001 0.000 0.279 241 E C -0.254 176.270 176.600 -0.126 0.000 0.984 241 E CA -0.635 55.774 56.400 0.015 0.000 0.788 241 E CB 1.823 31.576 29.700 0.089 0.000 1.277 241 E HN 1.731 nan 8.360 nan 0.000 0.455 242 G N -0.120 108.584 108.800 -0.159 0.000 2.302 242 G HA2 0.486 4.446 3.960 -0.001 0.000 0.276 242 G HA3 0.486 4.446 3.960 -0.001 0.000 0.276 242 G C -1.619 173.219 174.900 -0.104 0.000 1.316 242 G CA -0.260 44.606 45.100 -0.390 0.000 0.988 242 G HN 1.193 nan 8.290 nan 0.000 0.479 243 A N -1.319 121.417 122.820 -0.141 0.000 2.549 243 A HA 1.078 5.397 4.320 -0.001 0.000 0.297 243 A C -0.317 177.213 177.584 -0.090 0.000 1.061 243 A CA 0.540 52.554 52.037 -0.039 0.000 0.690 243 A CB 1.410 20.437 19.000 0.044 0.000 1.287 243 A HN 2.576 nan 8.150 nan 0.000 0.402 244 A N 1.969 124.740 122.820 -0.082 0.000 2.381 244 A HA 0.743 5.063 4.320 -0.001 0.000 0.299 244 A C -1.186 176.338 177.584 -0.100 0.000 1.049 244 A CA -0.304 51.661 52.037 -0.121 0.000 0.715 244 A CB 0.801 19.692 19.000 -0.182 0.000 1.222 244 A HN 0.744 nan 8.150 nan 0.000 0.428 245 I N 3.118 123.626 120.570 -0.102 0.000 2.582 245 I HA 0.527 4.697 4.170 -0.001 0.000 0.292 245 I C -0.254 175.793 176.117 -0.116 0.000 1.066 245 I CA -0.658 60.589 61.300 -0.088 0.000 1.053 245 I CB 1.748 39.717 38.000 -0.052 0.000 1.241 245 I HN 0.602 nan 8.210 nan 0.000 0.421 246 V N 3.956 123.798 119.914 -0.122 0.000 2.715 246 V HA 0.699 4.819 4.120 -0.001 0.000 0.310 246 V C -0.399 175.623 176.094 -0.120 0.000 1.054 246 V CA -0.760 61.456 62.300 -0.140 0.000 0.928 246 V CB 2.009 33.734 31.823 -0.164 0.000 1.007 246 V HN 0.339 nan 8.190 nan 0.000 0.437 247 V N 5.172 125.014 119.914 -0.119 0.000 2.385 247 V HA 0.405 4.525 4.120 -0.001 0.000 0.269 247 V C 0.150 176.159 176.094 -0.142 0.000 1.043 247 V CA -0.205 62.019 62.300 -0.127 0.000 0.906 247 V CB 0.737 32.484 31.823 -0.126 0.000 0.995 247 V HN 0.747 nan 8.190 nan 0.000 0.467 248 L N 4.823 125.952 121.223 -0.157 0.000 2.322 248 L HA 0.713 5.052 4.340 -0.001 0.000 0.279 248 L C -0.030 176.709 176.870 -0.218 0.000 1.036 248 L CA -0.225 54.516 54.840 -0.164 0.000 0.807 248 L CB 1.628 43.601 42.059 -0.144 0.000 1.226 248 L HN 0.662 nan 8.230 nan 0.000 0.433 249 E N 1.720 121.788 120.200 -0.221 0.000 2.321 249 E HA 0.133 4.483 4.350 -0.001 0.000 0.278 249 E C -1.280 175.187 176.600 -0.222 0.000 0.902 249 E CA -0.693 55.536 56.400 -0.284 0.000 0.758 249 E CB 1.999 31.515 29.700 -0.307 0.000 1.213 249 E HN 0.465 nan 8.360 nan 0.000 0.426 250 E N 3.761 123.824 120.200 -0.228 0.000 2.414 250 E HA -0.042 4.308 4.350 -0.001 0.000 0.263 250 E C 0.792 177.330 176.600 -0.104 0.000 1.000 250 E CA -0.064 56.253 56.400 -0.139 0.000 0.914 250 E CB 1.057 30.690 29.700 -0.112 0.000 0.948 250 E HN 0.614 nan 8.360 nan 0.000 0.444 251 L N 5.494 126.656 121.223 -0.101 0.000 1.990 251 L HA -0.220 4.119 4.340 -0.001 0.000 0.213 251 L C 1.854 178.674 176.870 -0.083 0.000 1.072 251 L CA 1.967 56.728 54.840 -0.130 0.000 0.755 251 L CB -0.397 41.606 42.059 -0.094 0.000 0.889 251 L HN 0.538 nan 8.230 nan 0.000 0.432 252 E N -1.242 118.941 120.200 -0.028 0.000 2.150 252 E HA -0.226 4.124 4.350 -0.001 0.000 0.193 252 E C 2.175 178.769 176.600 -0.010 0.000 0.985 252 E CA 1.059 57.453 56.400 -0.011 0.000 0.814 252 E CB -0.610 29.093 29.700 0.006 0.000 0.752 252 E HN 0.678 nan 8.360 nan 0.000 0.466 253 H N 0.691 119.698 119.070 -0.105 0.000 2.357 253 H HA 0.019 4.574 4.556 -0.001 0.000 0.301 253 H C 1.790 177.023 175.328 -0.157 0.000 1.082 253 H CA 1.622 57.593 56.048 -0.128 0.000 1.342 253 H CB 0.255 29.912 29.762 -0.175 0.000 1.389 253 H HN 0.113 nan 8.280 nan 0.000 0.511 254 A N 1.264 124.072 122.820 -0.019 0.000 1.873 254 A HA -0.145 4.174 4.320 -0.001 0.000 0.215 254 A C 2.523 180.039 177.584 -0.113 0.000 1.186 254 A CA 1.610 53.590 52.037 -0.096 0.000 0.616 254 A CB -0.344 18.560 19.000 -0.161 0.000 0.823 254 A HN 0.408 nan 8.150 nan 0.000 0.442 255 K N -0.426 119.914 120.400 -0.100 0.000 2.057 255 K HA -0.137 4.182 4.320 -0.001 0.000 0.207 255 K C 2.169 178.735 176.600 -0.057 0.000 1.049 255 K CA 1.659 57.908 56.287 -0.063 0.000 0.931 255 K CB -0.115 32.370 32.500 -0.025 0.000 0.714 255 K HN 0.462 nan 8.250 nan 0.000 0.440 256 K N 1.446 121.798 120.400 -0.080 0.000 2.097 256 K HA -0.149 4.171 4.320 -0.001 0.000 0.205 256 K C 1.899 178.450 176.600 -0.082 0.000 1.050 256 K CA 1.272 57.511 56.287 -0.080 0.000 0.938 256 K CB 0.113 32.550 32.500 -0.105 0.000 0.718 256 K HN 0.100 nan 8.250 nan 0.000 0.442 257 R N -0.992 119.441 120.500 -0.112 0.000 2.317 257 R HA 0.140 4.480 4.340 -0.001 0.000 0.208 257 R C 0.692 176.974 176.300 -0.030 0.000 0.914 257 R CA 0.723 56.783 56.100 -0.068 0.000 1.060 257 R CB 0.103 30.358 30.300 -0.075 0.000 1.015 257 R HN 0.201 nan 8.270 nan 0.000 0.498 258 G N 0.623 109.399 108.800 -0.040 0.000 2.160 258 G HA2 -0.334 3.626 3.960 -0.001 0.000 0.251 258 G HA3 -0.334 3.626 3.960 -0.001 0.000 0.251 258 G C 0.281 175.161 174.900 -0.033 0.000 1.008 258 G CA 0.132 45.216 45.100 -0.027 0.000 0.724 258 G HN 0.713 nan 8.290 nan 0.000 0.514 259 A N 0.015 122.804 122.820 -0.052 0.000 2.445 259 A HA 0.575 4.895 4.320 -0.001 0.000 0.242 259 A C 1.081 178.610 177.584 -0.092 0.000 1.075 259 A CA 0.356 52.355 52.037 -0.063 0.000 0.777 259 A CB 0.316 19.268 19.000 -0.079 0.000 1.013 259 A HN 0.865 nan 8.150 nan 0.000 0.493 260 R N 2.530 122.962 120.500 -0.112 0.000 2.347 260 R HA 0.276 4.616 4.340 -0.001 0.000 0.304 260 R C -1.183 174.982 176.300 -0.225 0.000 1.072 260 R CA 0.137 56.134 56.100 -0.172 0.000 0.980 260 R CB -0.031 30.131 30.300 -0.230 0.000 0.986 260 R HN 0.623 nan 8.270 nan 0.000 0.448 261 I N 5.982 126.433 120.570 -0.198 0.000 2.321 261 I HA 0.113 4.282 4.170 -0.001 0.000 0.291 261 I C 0.274 176.320 176.117 -0.117 0.000 0.998 261 I CA -0.540 60.654 61.300 -0.176 0.000 1.227 261 I CB 1.343 39.176 38.000 -0.277 0.000 1.368 261 I HN 0.700 nan 8.210 nan 0.000 0.466 262 Y N 5.071 125.328 120.300 -0.072 0.000 2.269 262 Y HA 0.298 4.847 4.550 -0.001 0.000 0.294 262 Y C 1.224 177.110 175.900 -0.022 0.000 1.120 262 Y CA 0.774 58.843 58.100 -0.052 0.000 1.159 262 Y CB 0.227 38.636 38.460 -0.085 0.000 1.024 262 Y HN 0.673 nan 8.280 nan 0.000 0.532 263 A N -0.703 122.199 122.820 0.136 0.000 2.515 263 A HA 0.446 4.766 4.320 -0.001 0.000 0.292 263 A C -1.604 176.007 177.584 0.044 0.000 1.065 263 A CA -0.828 51.268 52.037 0.097 0.000 0.641 263 A CB 0.880 19.917 19.000 0.062 0.000 1.306 263 A HN 0.044 nan 8.150 nan 0.000 0.441 264 E N 0.354 120.595 120.200 0.068 0.000 2.199 264 E HA 0.631 4.981 4.350 -0.001 0.000 0.269 264 E C -1.304 175.305 176.600 0.015 0.000 0.899 264 E CA -0.593 55.830 56.400 0.038 0.000 0.772 264 E CB 1.110 30.881 29.700 0.118 0.000 1.155 264 E HN 0.503 nan 8.360 nan 0.000 0.408 265 I N 6.755 127.315 120.570 -0.016 0.000 2.325 265 I HA 0.160 4.330 4.170 -0.001 0.000 0.291 265 I C 0.933 177.050 176.117 -0.000 0.000 1.019 265 I CA 0.033 61.320 61.300 -0.023 0.000 1.302 265 I CB 0.720 38.684 38.000 -0.060 0.000 1.401 265 I HN 0.628 nan 8.210 nan 0.000 0.485 266 I N 2.109 122.688 120.570 0.016 0.000 4.403 266 I HA 0.549 4.719 4.170 -0.001 0.000 0.331 266 I C 0.634 176.775 176.117 0.040 0.000 1.327 266 I CA -0.186 61.131 61.300 0.028 0.000 1.175 266 I CB 0.795 38.814 38.000 0.032 0.000 1.165 266 I HN 0.501 nan 8.210 nan 0.000 0.413 267 G N 0.546 109.376 108.800 0.050 0.000 2.733 267 G HA2 0.556 4.515 3.960 -0.001 0.000 0.297 267 G HA3 0.556 4.515 3.960 -0.001 0.000 0.297 267 G C -2.516 172.474 174.900 0.150 0.000 1.422 267 G CA -0.405 44.743 45.100 0.080 0.000 0.942 267 G HN 0.070 nan 8.290 nan 0.000 0.510 268 Y N 0.473 120.765 120.300 -0.013 0.000 2.399 268 Y HA 0.671 5.220 4.550 -0.001 0.000 0.327 268 Y C -0.335 175.562 175.900 -0.006 0.000 1.111 268 Y CA -1.069 57.020 58.100 -0.018 0.000 1.047 268 Y CB 1.856 40.309 38.460 -0.013 0.000 1.259 268 Y HN 0.971 nan 8.280 nan 0.000 0.434 269 G N 5.090 113.832 108.800 -0.096 0.000 2.591 269 G HA2 0.676 4.635 3.960 -0.001 0.000 0.306 269 G HA3 0.676 4.635 3.960 -0.001 0.000 0.306 269 G C -2.448 172.312 174.900 -0.234 0.000 1.334 269 G CA -0.892 44.096 45.100 -0.186 0.000 0.981 269 G HN 0.492 nan 8.290 nan 0.000 0.491 270 L N 1.358 122.451 121.223 -0.217 0.000 2.401 270 L HA 0.834 5.174 4.340 -0.001 0.000 0.266 270 L C 0.327 177.176 176.870 -0.035 0.000 0.991 270 L CA -0.622 54.153 54.840 -0.108 0.000 0.818 270 L CB 2.297 44.283 42.059 -0.122 0.000 1.321 270 L HN 0.830 nan 8.230 nan 0.000 0.413 271 S N 0.164 115.875 115.700 0.018 0.000 2.656 271 S HA 0.969 5.439 4.470 -0.001 0.000 0.273 271 S C -0.785 173.830 174.600 0.026 0.000 1.168 271 S CA -0.330 57.873 58.200 0.006 0.000 0.817 271 S CB 1.718 64.906 63.200 -0.020 0.000 1.146 271 S HN 0.890 nan 8.310 nan 0.000 0.475 272 G N -0.298 108.507 108.800 0.009 0.000 2.591 272 G HA2 0.562 4.521 3.960 -0.001 0.000 0.306 272 G HA3 0.562 4.521 3.960 -0.001 0.000 0.306 272 G C -0.666 174.237 174.900 0.006 0.000 1.334 272 G CA -0.660 44.452 45.100 0.020 0.000 0.981 272 G HN 0.553 nan 8.290 nan 0.000 0.491 273 D N 1.410 121.823 120.400 0.022 0.000 2.183 273 D HA 0.127 4.767 4.640 -0.001 0.000 0.205 273 D C 2.113 178.465 176.300 0.086 0.000 0.962 273 D CA 1.457 55.477 54.000 0.032 0.000 0.849 273 D CB 0.050 40.889 40.800 0.064 0.000 0.978 273 D HN 0.943 nan 8.370 nan 0.000 0.488 274 A N -0.400 122.477 122.820 0.094 0.000 2.745 274 A HA -0.291 4.029 4.320 -0.001 0.000 0.296 274 A C 0.692 178.372 177.584 0.159 0.000 1.500 274 A CA 1.425 53.518 52.037 0.095 0.000 0.766 274 A CB -2.385 16.652 19.000 0.062 0.000 1.030 274 A HN 0.480 nan 8.150 nan 0.000 0.489 275 Y N -0.833 119.496 120.300 0.049 0.000 2.569 275 Y HA 0.445 4.994 4.550 -0.001 0.000 0.278 275 Y C 0.873 176.860 175.900 0.145 0.000 1.130 275 Y CA 1.436 59.584 58.100 0.079 0.000 1.280 275 Y CB 0.532 39.033 38.460 0.069 0.000 1.379 275 Y HN 0.727 nan 8.280 nan 0.000 0.508 276 H N 0.269 119.295 119.070 -0.073 0.000 3.064 276 H HA 0.242 4.798 4.556 -0.001 0.000 0.352 276 H C 0.778 176.118 175.328 0.021 0.000 1.260 276 H CA 0.160 56.099 56.048 -0.182 0.000 1.160 276 H CB 1.702 31.230 29.762 -0.389 0.000 1.879 276 H HN 0.345 nan 8.280 nan 0.000 0.544 277 I N 0.483 120.882 120.570 -0.285 0.000 2.493 277 I HA -0.068 4.102 4.170 -0.001 0.000 0.254 277 I C 1.028 177.278 176.117 0.221 0.000 1.160 277 I CA 1.942 63.218 61.300 -0.041 0.000 1.445 277 I CB -0.171 37.738 38.000 -0.152 0.000 1.086 277 I HN 0.484 nan 8.210 nan 0.000 0.433 278 T N -2.000 112.840 114.554 0.477 0.000 2.980 278 T HA 0.525 4.875 4.350 -0.001 0.000 0.252 278 T C 0.817 175.852 174.700 0.559 0.000 0.962 278 T CA 0.275 62.716 62.100 0.567 0.000 0.932 278 T CB -0.085 69.025 68.868 0.403 0.000 1.188 278 T HN 0.331 nan 8.240 nan 0.000 0.500 279 A N 3.220 126.322 122.820 0.471 0.000 2.310 279 A HA 0.758 5.078 4.320 -0.001 0.000 0.299 279 A C -2.792 174.980 177.584 0.314 0.000 1.147 279 A CA -1.698 50.462 52.037 0.206 0.000 0.818 279 A CB 0.267 19.153 19.000 -0.191 0.000 1.096 279 A HN 0.254 nan 8.150 nan 0.000 0.495 280 P HA 0.197 nan 4.420 nan 0.000 0.276 280 P C 0.035 177.303 177.300 -0.053 0.000 1.244 280 P CA -0.410 62.744 63.100 0.089 0.000 0.801 280 P CB 0.710 32.411 31.700 0.002 0.000 1.006 281 S N 1.390 116.950 115.700 -0.232 0.000 2.673 281 S HA -0.079 4.390 4.470 -0.001 0.000 0.308 281 S C 1.426 175.736 174.600 -0.483 0.000 1.246 281 S CA 0.052 57.885 58.200 -0.611 0.000 1.077 281 S CB -0.398 62.585 63.200 -0.362 0.000 0.814 281 S HN 0.308 nan 8.310 nan 0.000 0.503 282 E N 2.709 122.542 120.200 -0.611 0.000 2.265 282 E HA -0.104 4.245 4.350 -0.001 0.000 0.196 282 E C 2.061 178.538 176.600 -0.204 0.000 0.996 282 E CA 1.373 57.599 56.400 -0.290 0.000 0.832 282 E CB -0.222 29.354 29.700 -0.207 0.000 0.756 282 E HN 0.792 nan 8.360 nan 0.000 0.491 283 S N -1.501 114.058 115.700 -0.235 0.000 2.524 283 S HA 0.145 4.615 4.470 -0.001 0.000 0.216 283 S C 1.688 176.202 174.600 -0.143 0.000 0.987 283 S CA 0.685 58.792 58.200 -0.155 0.000 0.909 283 S CB 0.275 63.391 63.200 -0.140 0.000 0.781 283 S HN 0.237 nan 8.310 nan 0.000 0.521 284 G N 2.245 110.935 108.800 -0.183 0.000 2.180 284 G HA2 -0.412 3.547 3.960 -0.001 0.000 0.263 284 G HA3 -0.412 3.547 3.960 -0.001 0.000 0.263 284 G C 0.649 175.438 174.900 -0.186 0.000 0.989 284 G CA 0.929 45.913 45.100 -0.193 0.000 0.692 284 G HN 0.821 nan 8.290 nan 0.000 0.526 285 E N -0.286 119.818 120.200 -0.160 0.000 2.150 285 E HA 0.143 4.493 4.350 -0.001 0.000 0.193 285 E C 2.439 178.960 176.600 -0.131 0.000 0.985 285 E CA 1.762 58.089 56.400 -0.121 0.000 0.814 285 E CB -0.974 28.671 29.700 -0.091 0.000 0.752 285 E HN 0.634 nan 8.360 nan 0.000 0.466 286 G N 0.864 109.563 108.800 -0.169 0.000 2.404 286 G HA2 -0.188 3.771 3.960 -0.001 0.000 0.215 286 G HA3 -0.188 3.771 3.960 -0.001 0.000 0.215 286 G C 1.802 176.561 174.900 -0.234 0.000 1.174 286 G CA 1.143 46.141 45.100 -0.169 0.000 0.780 286 G HN 0.485 nan 8.290 nan 0.000 0.537 287 A N 0.430 122.997 122.820 -0.421 0.000 1.883 287 A HA -0.183 4.136 4.320 -0.001 0.000 0.217 287 A C 2.306 179.781 177.584 -0.182 0.000 1.186 287 A CA 2.235 53.917 52.037 -0.591 0.000 0.624 287 A CB -0.655 17.805 19.000 -0.900 0.000 0.822 287 A HN 0.478 nan 8.150 nan 0.000 0.444 288 Q N -0.668 119.048 119.800 -0.140 0.000 2.096 288 Q HA -0.207 4.133 4.340 -0.001 0.000 0.204 288 Q C 2.321 178.300 176.000 -0.035 0.000 0.982 288 Q CA 1.747 57.515 55.803 -0.058 0.000 0.850 288 Q CB -0.116 28.588 28.738 -0.057 0.000 0.901 288 Q HN 0.671 nan 8.270 nan 0.000 0.422 289 R N -0.424 120.044 120.500 -0.053 0.000 2.092 289 R HA -0.088 4.252 4.340 -0.001 0.000 0.231 289 R C 2.628 178.917 176.300 -0.019 0.000 1.119 289 R CA 1.240 57.319 56.100 -0.034 0.000 0.970 289 R CB -0.328 29.947 30.300 -0.041 0.000 0.864 289 R HN 0.198 nan 8.270 nan 0.000 0.440 290 S N 0.683 116.377 115.700 -0.009 0.000 2.348 290 S HA -0.158 4.312 4.470 -0.001 0.000 0.221 290 S C 1.990 176.615 174.600 0.041 0.000 1.033 290 S CA 1.246 59.463 58.200 0.028 0.000 1.010 290 S CB -0.014 63.253 63.200 0.111 0.000 0.891 290 S HN 0.178 nan 8.310 nan 0.000 0.442 291 M N 0.375 120.014 119.600 0.066 0.000 2.080 291 M HA -0.131 4.349 4.480 -0.001 0.000 0.260 291 M C 2.337 178.653 176.300 0.025 0.000 1.068 291 M CA 1.496 56.829 55.300 0.055 0.000 1.109 291 M CB -0.426 32.214 32.600 0.065 0.000 1.342 291 M HN 0.356 nan 8.290 nan 0.000 0.405 292 M N -0.098 119.511 119.600 0.014 0.000 2.159 292 M HA -0.104 4.376 4.480 -0.001 0.000 0.263 292 M C 2.485 178.786 176.300 0.001 0.000 1.063 292 M CA 1.770 57.074 55.300 0.006 0.000 1.110 292 M CB -1.535 31.065 32.600 0.001 0.000 1.374 292 M HN 0.352 nan 8.290 nan 0.000 0.411 293 A N 0.142 122.958 122.820 -0.006 0.000 1.902 293 A HA 0.015 4.335 4.320 -0.001 0.000 0.217 293 A C 2.439 180.016 177.584 -0.011 0.000 1.181 293 A CA 2.084 54.111 52.037 -0.018 0.000 0.623 293 A CB -0.877 18.099 19.000 -0.040 0.000 0.818 293 A HN 0.469 nan 8.150 nan 0.000 0.443 294 A N -0.361 122.460 122.820 0.001 0.000 1.898 294 A HA 0.007 4.326 4.320 -0.001 0.000 0.216 294 A C 2.164 179.762 177.584 0.023 0.000 1.181 294 A CA 1.433 53.484 52.037 0.024 0.000 0.620 294 A CB -0.567 18.458 19.000 0.041 0.000 0.819 294 A HN 0.459 nan 8.150 nan 0.000 0.442 295 L N -0.669 120.563 121.223 0.014 0.000 2.093 295 L HA -0.165 4.174 4.340 -0.001 0.000 0.208 295 L C 2.623 179.497 176.870 0.007 0.000 1.085 295 L CA 1.816 56.662 54.840 0.010 0.000 0.755 295 L CB -0.353 41.709 42.059 0.006 0.000 0.904 295 L HN 0.455 nan 8.230 nan 0.000 0.435 296 K N 0.391 120.794 120.400 0.005 0.000 2.057 296 K HA -0.242 4.078 4.320 -0.001 0.000 0.206 296 K C 2.350 178.954 176.600 0.007 0.000 1.050 296 K CA 1.305 57.594 56.287 0.003 0.000 0.935 296 K CB 0.050 32.550 32.500 -0.000 0.000 0.715 296 K HN -0.022 nan 8.250 nan 0.000 0.439 297 R N 0.699 121.205 120.500 0.010 0.000 2.096 297 R HA -0.037 4.303 4.340 -0.001 0.000 0.235 297 R C 1.734 178.048 176.300 0.023 0.000 1.127 297 R CA 1.765 57.876 56.100 0.018 0.000 0.968 297 R CB -0.592 29.725 30.300 0.028 0.000 0.861 297 R HN 0.274 nan 8.270 nan 0.000 0.440 298 A N -0.185 122.649 122.820 0.023 0.000 2.169 298 A HA 0.031 4.350 4.320 -0.001 0.000 0.212 298 A C 0.292 177.884 177.584 0.013 0.000 1.153 298 A CA 0.649 52.699 52.037 0.022 0.000 0.756 298 A CB -0.158 18.855 19.000 0.022 0.000 0.813 298 A HN 0.541 nan 8.150 nan 0.000 0.471 299 Q N -1.197 118.608 119.800 0.008 0.000 2.468 299 Q HA -0.139 4.200 4.340 -0.001 0.000 0.289 299 Q C -0.924 175.073 176.000 -0.004 0.000 1.299 299 Q CA 0.547 56.351 55.803 0.002 0.000 0.838 299 Q CB -1.942 26.798 28.738 0.003 0.000 1.195 299 Q HN 0.356 nan 8.270 nan 0.000 0.456 300 V N 1.280 121.190 119.914 -0.006 0.000 2.417 300 V HA 0.323 4.443 4.120 -0.001 0.000 0.291 300 V C 0.396 176.475 176.094 -0.026 0.000 1.024 300 V CA -0.793 61.498 62.300 -0.016 0.000 0.861 300 V CB 1.804 33.621 31.823 -0.010 0.000 0.985 300 V HN 0.296 nan 8.190 nan 0.000 0.436 301 N N 2.847 121.519 118.700 -0.046 0.000 2.529 301 N HA 0.107 4.846 4.740 -0.001 0.000 0.278 301 N C 1.246 176.694 175.510 -0.103 0.000 1.146 301 N CA -0.063 52.946 53.050 -0.068 0.000 0.980 301 N CB 2.148 40.582 38.487 -0.089 0.000 1.124 301 N HN 0.545 nan 8.380 nan 0.000 0.458 302 V N 1.521 121.380 119.914 -0.093 0.000 2.660 302 V HA -0.214 3.906 4.120 -0.001 0.000 0.257 302 V C 2.116 178.063 176.094 -0.244 0.000 1.088 302 V CA 2.159 64.403 62.300 -0.094 0.000 1.106 302 V CB -1.285 30.542 31.823 0.007 0.000 0.686 302 V HN 0.729 nan 8.190 nan 0.000 0.481 303 S N 0.805 116.199 115.700 -0.511 0.000 2.469 303 S HA -0.157 4.313 4.470 -0.001 0.000 0.238 303 S C 1.581 175.987 174.600 -0.325 0.000 0.998 303 S CA 1.406 59.128 58.200 -0.796 0.000 0.957 303 S CB -0.592 62.029 63.200 -0.965 0.000 0.764 303 S HN 0.824 nan 8.310 nan 0.000 0.514 304 E N 0.361 120.446 120.200 -0.191 0.000 2.472 304 E HA 0.304 4.654 4.350 -0.001 0.000 0.196 304 E C -0.120 176.450 176.600 -0.051 0.000 1.033 304 E CA -0.253 56.089 56.400 -0.096 0.000 0.886 304 E CB 0.112 29.770 29.700 -0.069 0.000 0.944 304 E HN 0.495 nan 8.360 nan 0.000 0.492 305 L N 1.858 123.051 121.223 -0.051 0.000 2.380 305 L HA 0.042 4.381 4.340 -0.001 0.000 0.273 305 L C 0.695 177.576 176.870 0.017 0.000 1.138 305 L CA -0.021 54.813 54.840 -0.010 0.000 0.832 305 L CB 0.754 42.806 42.059 -0.012 0.000 1.124 305 L HN 0.052 nan 8.230 nan 0.000 0.454 306 D N 1.318 121.749 120.400 0.051 0.000 2.597 306 D HA 0.028 4.667 4.640 -0.001 0.000 0.261 306 D C -0.602 175.793 176.300 0.158 0.000 1.023 306 D CA 0.788 54.841 54.000 0.088 0.000 0.927 306 D CB 0.734 41.588 40.800 0.091 0.000 1.168 306 D HN 0.315 nan 8.370 nan 0.000 0.491 307 Y N 0.718 121.027 120.300 0.015 0.000 2.470 307 Y HA 0.491 5.040 4.550 -0.001 0.000 0.341 307 Y C -1.752 174.160 175.900 0.020 0.000 1.021 307 Y CA -0.971 57.142 58.100 0.021 0.000 1.025 307 Y CB 1.332 39.812 38.460 0.034 0.000 1.266 307 Y HN -0.277 nan 8.280 nan 0.000 0.448 308 I N 5.953 126.050 120.570 -0.788 0.000 2.436 308 I HA 0.278 4.447 4.170 -0.001 0.000 0.289 308 I C -0.696 174.844 176.117 -0.962 0.000 1.010 308 I CA -0.859 60.045 61.300 -0.659 0.000 1.098 308 I CB 1.649 39.473 38.000 -0.292 0.000 1.266 308 I HN 0.615 nan 8.210 nan 0.000 0.434 309 N N 5.740 124.074 118.700 -0.610 0.000 2.462 309 N HA 0.397 5.137 4.740 -0.001 0.000 0.242 309 N C -0.409 175.009 175.510 -0.153 0.000 1.010 309 N CA -0.141 52.742 53.050 -0.278 0.000 0.939 309 N CB 1.509 40.002 38.487 0.009 0.000 1.127 309 N HN 0.744 nan 8.380 nan 0.000 0.509 310 A N 2.695 125.461 122.820 -0.090 0.000 2.346 310 A HA 0.069 4.389 4.320 -0.001 0.000 0.252 310 A C 1.190 178.725 177.584 -0.081 0.000 1.089 310 A CA -0.110 51.906 52.037 -0.035 0.000 0.797 310 A CB 0.261 19.328 19.000 0.111 0.000 1.047 310 A HN 0.925 nan 8.150 nan 0.000 0.494 311 H N 1.199 120.131 119.070 -0.230 0.000 2.299 311 H HA 0.091 4.646 4.556 -0.001 0.000 0.302 311 H C 1.497 176.684 175.328 -0.236 0.000 1.078 311 H CA 1.714 57.574 56.048 -0.313 0.000 1.323 311 H CB -0.651 28.870 29.762 -0.401 0.000 1.381 311 H HN 1.166 nan 8.280 nan 0.000 0.498 312 G N 0.635 109.299 108.800 -0.227 0.000 2.101 312 G HA2 -0.293 3.667 3.960 -0.001 0.000 0.247 312 G HA3 -0.293 3.667 3.960 -0.001 0.000 0.247 312 G C 0.880 175.512 174.900 -0.447 0.000 0.740 312 G CA 0.979 45.875 45.100 -0.340 0.000 1.130 312 G HN 0.811 nan 8.290 nan 0.000 0.342 313 T N -1.828 112.441 114.554 -0.475 0.000 3.107 313 T HA 0.448 4.797 4.350 -0.001 0.000 0.249 313 T C 1.261 175.873 174.700 -0.148 0.000 1.096 313 T CA 0.950 62.794 62.100 -0.427 0.000 1.012 313 T CB 0.408 68.954 68.868 -0.536 0.000 0.977 313 T HN 1.660 nan 8.240 nan 0.000 0.527 314 S N 0.825 116.425 115.700 -0.166 0.000 3.672 314 S HA -0.126 4.343 4.470 -0.001 0.000 0.294 314 S C 0.322 174.917 174.600 -0.008 0.000 1.200 314 S CA 0.632 58.778 58.200 -0.089 0.000 0.837 314 S CB -1.968 61.213 63.200 -0.031 0.000 0.972 314 S HN 1.210 nan 8.310 nan 0.000 0.583 315 T N -1.790 112.763 114.554 -0.003 0.000 2.927 315 T HA 0.742 5.091 4.350 -0.001 0.000 0.286 315 T C 1.305 176.021 174.700 0.027 0.000 1.040 315 T CA -0.714 61.420 62.100 0.057 0.000 1.010 315 T CB 0.857 69.808 68.868 0.139 0.000 1.177 315 T HN -0.043 nan 8.240 nan 0.000 0.546 316 M N 0.883 120.512 119.600 0.048 0.000 2.267 316 M HA 0.112 4.591 4.480 -0.001 0.000 0.263 316 M C 2.450 178.774 176.300 0.039 0.000 1.063 316 M CA 1.302 56.625 55.300 0.039 0.000 1.090 316 M CB -1.879 30.747 32.600 0.043 0.000 1.392 316 M HN 0.938 nan 8.290 nan 0.000 0.422 317 A N -0.381 122.471 122.820 0.053 0.000 2.178 317 A HA -0.159 4.161 4.320 -0.001 0.000 0.218 317 A C 1.711 179.329 177.584 0.057 0.000 1.157 317 A CA 1.557 53.628 52.037 0.057 0.000 0.689 317 A CB -0.779 18.273 19.000 0.086 0.000 0.787 317 A HN 0.409 nan 8.150 nan 0.000 0.465 318 D N -0.011 120.398 120.400 0.015 0.000 2.149 318 D HA -0.174 4.466 4.640 -0.001 0.000 0.194 318 D C 2.081 178.463 176.300 0.137 0.000 1.001 318 D CA 2.018 56.000 54.000 -0.030 0.000 0.849 318 D CB -0.472 40.171 40.800 -0.261 0.000 0.939 318 D HN 0.531 nan 8.370 nan 0.000 0.449 319 V N -1.455 118.531 119.914 0.119 0.000 3.129 319 V HA 0.003 4.123 4.120 -0.001 0.000 0.259 319 V C 2.174 178.317 176.094 0.082 0.000 1.116 319 V CA 0.553 62.933 62.300 0.133 0.000 1.127 319 V CB -0.601 31.278 31.823 0.093 0.000 0.742 319 V HN 0.104 nan 8.190 nan 0.000 0.474 320 I N 0.957 121.561 120.570 0.057 0.000 2.202 320 I HA -0.186 3.984 4.170 -0.001 0.000 0.242 320 I C 2.747 178.879 176.117 0.024 0.000 1.091 320 I CA 2.242 63.550 61.300 0.013 0.000 1.368 320 I CB -0.315 37.671 38.000 -0.023 0.000 1.058 320 I HN 0.411 nan 8.210 nan 0.000 0.410 321 E N 1.152 121.402 120.200 0.084 0.000 2.077 321 E HA -0.272 4.078 4.350 -0.001 0.000 0.193 321 E C 2.256 178.933 176.600 0.129 0.000 0.989 321 E CA 1.175 57.660 56.400 0.141 0.000 0.800 321 E CB -0.013 29.858 29.700 0.284 0.000 0.746 321 E HN 0.259 nan 8.360 nan 0.000 0.452 322 L N 1.134 122.448 121.223 0.151 0.000 2.013 322 L HA -0.174 4.165 4.340 -0.001 0.000 0.212 322 L C 2.313 179.202 176.870 0.031 0.000 1.073 322 L CA 2.429 57.320 54.840 0.085 0.000 0.753 322 L CB -0.974 41.135 42.059 0.083 0.000 0.890 322 L HN 0.208 nan 8.230 nan 0.000 0.432 323 A N -0.834 122.003 122.820 0.029 0.000 1.933 323 A HA -0.079 4.240 4.320 -0.001 0.000 0.218 323 A C 2.427 180.010 177.584 -0.001 0.000 1.175 323 A CA 1.821 53.861 52.037 0.005 0.000 0.628 323 A CB -1.100 17.899 19.000 -0.002 0.000 0.814 323 A HN 0.590 nan 8.150 nan 0.000 0.444 324 A N -0.622 122.198 122.820 -0.000 0.000 1.898 324 A HA 0.032 4.351 4.320 -0.001 0.000 0.216 324 A C 2.202 179.792 177.584 0.010 0.000 1.181 324 A CA 1.678 53.708 52.037 -0.011 0.000 0.620 324 A CB -0.840 18.138 19.000 -0.038 0.000 0.819 324 A HN 0.372 nan 8.150 nan 0.000 0.442 325 V N 0.163 120.094 119.914 0.027 0.000 2.407 325 V HA -0.260 3.860 4.120 -0.001 0.000 0.248 325 V C 2.371 178.473 176.094 0.013 0.000 1.055 325 V CA 2.233 64.549 62.300 0.026 0.000 1.049 325 V CB -0.830 31.007 31.823 0.023 0.000 0.662 325 V HN 0.633 nan 8.190 nan 0.000 0.455 326 E N -0.185 120.017 120.200 0.004 0.000 2.110 326 E HA -0.211 4.138 4.350 -0.001 0.000 0.193 326 E C 2.493 179.100 176.600 0.012 0.000 0.988 326 E CA 1.109 57.509 56.400 -0.000 0.000 0.804 326 E CB -0.156 29.537 29.700 -0.010 0.000 0.745 326 E HN 0.537 nan 8.360 nan 0.000 0.458 327 R N 0.282 120.788 120.500 0.010 0.000 2.075 327 R HA -0.084 4.256 4.340 -0.001 0.000 0.232 327 R C 2.442 178.758 176.300 0.026 0.000 1.126 327 R CA 0.973 57.080 56.100 0.013 0.000 0.963 327 R CB -0.278 30.022 30.300 0.000 0.000 0.858 327 R HN 0.059 nan 8.270 nan 0.000 0.435 328 V N 1.514 121.444 119.914 0.026 0.000 2.343 328 V HA -0.214 3.906 4.120 -0.001 0.000 0.247 328 V C 2.238 178.370 176.094 0.063 0.000 1.051 328 V CA 1.639 63.961 62.300 0.037 0.000 1.036 328 V CB -0.326 31.515 31.823 0.030 0.000 0.654 328 V HN 0.288 nan 8.190 nan 0.000 0.451 329 L N -0.871 120.392 121.223 0.067 0.000 2.209 329 L HA 0.229 4.569 4.340 -0.001 0.000 0.207 329 L C 1.937 178.903 176.870 0.160 0.000 1.094 329 L CA 0.886 55.792 54.840 0.111 0.000 0.790 329 L CB -0.995 41.111 42.059 0.077 0.000 0.932 329 L HN 0.546 nan 8.230 nan 0.000 0.447 330 G N 0.423 109.280 108.800 0.094 0.000 2.660 330 G HA2 -0.492 3.467 3.960 -0.001 0.000 0.321 330 G HA3 -0.492 3.467 3.960 -0.001 0.000 0.321 330 G C 0.664 175.595 174.900 0.052 0.000 1.246 330 G CA 1.032 46.181 45.100 0.083 0.000 1.000 330 G HN 0.332 nan 8.290 nan 0.000 0.550 331 Y N 0.886 121.106 120.300 -0.132 0.000 2.403 331 Y HA 0.060 4.610 4.550 -0.001 0.000 0.291 331 Y C 2.515 178.183 175.900 -0.387 0.000 1.143 331 Y CA 2.360 60.273 58.100 -0.313 0.000 1.257 331 Y CB -0.156 38.009 38.460 -0.493 0.000 0.984 331 Y HN 0.429 nan 8.280 nan 0.000 0.550 332 Y N -0.860 119.445 120.300 0.009 0.000 2.466 332 Y HA 0.281 4.831 4.550 -0.001 0.000 0.272 332 Y C 2.213 178.064 175.900 -0.081 0.000 1.169 332 Y CA 0.084 58.154 58.100 -0.051 0.000 1.285 332 Y CB -0.674 37.809 38.460 0.039 0.000 1.078 332 Y HN 0.204 nan 8.280 nan 0.000 0.523 333 A N 1.244 124.063 122.820 -0.003 0.000 1.927 333 A HA -0.200 4.119 4.320 -0.001 0.000 0.220 333 A C -0.190 177.369 177.584 -0.042 0.000 1.185 333 A CA 1.791 53.816 52.037 -0.020 0.000 0.639 333 A CB -1.630 17.343 19.000 -0.046 0.000 0.820 333 A HN 0.264 nan 8.150 nan 0.000 0.451 334 P HA -0.110 nan 4.420 nan 0.000 0.225 334 P C 1.182 178.461 177.300 -0.035 0.000 1.148 334 P CA 1.101 64.154 63.100 -0.079 0.000 0.779 334 P CB -0.059 31.562 31.700 -0.132 0.000 0.780 335 Q N -1.174 118.626 119.800 -0.001 0.000 2.432 335 Q HA 0.061 4.401 4.340 -0.001 0.000 0.205 335 Q C 0.136 176.159 176.000 0.037 0.000 0.945 335 Q CA 0.435 56.259 55.803 0.035 0.000 0.924 335 Q CB 0.244 29.037 28.738 0.092 0.000 1.016 335 Q HN 0.134 nan 8.270 nan 0.000 0.503 336 V N 0.743 120.674 119.914 0.029 0.000 2.483 336 V HA 0.247 4.367 4.120 -0.001 0.000 0.295 336 V C -0.113 175.997 176.094 0.027 0.000 1.035 336 V CA -0.597 61.722 62.300 0.032 0.000 0.896 336 V CB 1.948 33.782 31.823 0.019 0.000 0.986 336 V HN -0.046 nan 8.190 nan 0.000 0.447 337 S N 5.227 120.970 115.700 0.072 0.000 2.508 337 S HA 0.730 5.200 4.470 -0.001 0.000 0.284 337 S C -0.428 174.214 174.600 0.070 0.000 1.192 337 S CA -0.461 57.801 58.200 0.105 0.000 1.070 337 S CB 1.058 64.375 63.200 0.196 0.000 1.004 337 S HN 0.763 nan 8.310 nan 0.000 0.493 338 M N 3.515 123.117 119.600 0.004 0.000 2.326 338 M HA 0.527 5.006 4.480 -0.001 0.000 0.292 338 M C -1.141 175.155 176.300 -0.007 0.000 1.081 338 M CA -0.211 55.026 55.300 -0.105 0.000 0.919 338 M CB 1.574 34.092 32.600 -0.136 0.000 1.634 338 M HN 0.740 nan 8.290 nan 0.000 0.451 339 S N 2.194 117.922 115.700 0.048 0.000 2.588 339 S HA 0.701 5.171 4.470 -0.001 0.000 0.275 339 S C -1.146 173.541 174.600 0.146 0.000 1.130 339 S CA -0.813 57.475 58.200 0.148 0.000 0.855 339 S CB 1.997 65.329 63.200 0.220 0.000 1.116 339 S HN 0.697 nan 8.310 nan 0.000 0.472 340 S N 0.773 116.569 115.700 0.160 0.000 2.474 340 S HA 0.482 4.952 4.470 -0.001 0.000 0.321 340 S C 0.872 175.505 174.600 0.055 0.000 1.080 340 S CA -0.135 58.112 58.200 0.079 0.000 1.106 340 S CB 0.510 63.711 63.200 0.002 0.000 0.984 340 S HN 0.961 nan 8.310 nan 0.000 0.464 341 T N 2.404 117.003 114.554 0.076 0.000 3.129 341 T HA 0.179 4.528 4.350 -0.001 0.000 0.251 341 T C 1.189 175.923 174.700 0.056 0.000 1.117 341 T CA 0.108 62.250 62.100 0.070 0.000 1.034 341 T CB -0.153 68.805 68.868 0.151 0.000 0.968 341 T HN 0.620 nan 8.240 nan 0.000 0.526 342 K N 1.920 122.321 120.400 0.002 0.000 2.442 342 K HA -0.021 4.298 4.320 -0.001 0.000 0.198 342 K C 2.549 179.138 176.600 -0.019 0.000 1.042 342 K CA 1.131 57.398 56.287 -0.034 0.000 0.958 342 K CB -0.145 32.262 32.500 -0.155 0.000 0.766 342 K HN 0.596 nan 8.250 nan 0.000 0.474 343 S N 0.012 115.701 115.700 -0.018 0.000 2.423 343 S HA -0.068 4.402 4.470 -0.001 0.000 0.231 343 S C 1.916 176.516 174.600 -0.000 0.000 1.014 343 S CA 1.246 59.439 58.200 -0.012 0.000 0.965 343 S CB 0.071 63.265 63.200 -0.010 0.000 0.785 343 S HN 0.063 nan 8.310 nan 0.000 0.495 344 S N 1.576 117.277 115.700 0.001 0.000 2.506 344 S HA 0.363 4.833 4.470 -0.001 0.000 0.230 344 S C 1.609 176.225 174.600 0.026 0.000 1.066 344 S CA 0.456 58.656 58.200 -0.000 0.000 0.940 344 S CB -0.161 63.017 63.200 -0.037 0.000 0.818 344 S HN 0.784 nan 8.310 nan 0.000 0.518 345 I N -1.080 119.523 120.570 0.054 0.000 4.081 345 I HA 0.545 4.714 4.170 -0.001 0.000 0.333 345 I C 0.834 176.992 176.117 0.067 0.000 1.413 345 I CA -0.171 61.173 61.300 0.074 0.000 1.110 345 I CB -0.228 37.850 38.000 0.130 0.000 1.082 345 I HN 0.268 nan 8.210 nan 0.000 0.402 346 G N 2.393 111.228 108.800 0.059 0.000 2.645 346 G HA2 -0.341 3.619 3.960 -0.001 0.000 0.246 346 G HA3 -0.341 3.619 3.960 -0.001 0.000 0.246 346 G C -0.671 174.278 174.900 0.082 0.000 1.322 346 G CA 0.269 45.417 45.100 0.079 0.000 0.898 346 G HN 0.702 nan 8.290 nan 0.000 0.573 347 H N 0.511 119.556 119.070 -0.041 0.000 2.741 347 H HA 0.540 5.096 4.556 -0.001 0.000 0.282 347 H C 1.192 176.439 175.328 -0.135 0.000 1.122 347 H CA -1.022 54.915 56.048 -0.185 0.000 1.293 347 H CB 0.633 30.106 29.762 -0.481 0.000 1.415 347 H HN 0.333 nan 8.280 nan 0.000 0.472 348 L N 6.243 127.540 121.223 0.124 0.000 2.610 348 L HA 0.008 4.347 4.340 -0.001 0.000 0.232 348 L C 1.412 178.236 176.870 -0.077 0.000 1.149 348 L CA 0.613 55.457 54.840 0.006 0.000 0.872 348 L CB -1.022 41.040 42.059 0.004 0.000 0.992 348 L HN 0.751 nan 8.230 nan 0.000 0.447 349 L N -1.521 119.550 121.223 -0.253 0.000 5.531 349 L HA -0.424 3.915 4.340 -0.001 0.000 0.053 349 L C 1.976 178.817 176.870 -0.049 0.000 2.831 349 L CA 1.289 55.945 54.840 -0.305 0.000 1.552 349 L CB -1.882 40.009 42.059 -0.280 0.000 2.889 349 L HN 0.253 nan 8.230 nan 0.000 0.964 350 G N -1.038 107.749 108.800 -0.022 0.000 2.485 350 G HA2 -0.058 3.901 3.960 -0.001 0.000 0.221 350 G HA3 -0.058 3.901 3.960 -0.001 0.000 0.221 350 G C 1.249 176.153 174.900 0.007 0.000 1.115 350 G CA 1.535 46.640 45.100 0.009 0.000 0.751 350 G HN 0.898 nan 8.290 nan 0.000 0.567 351 A N 0.200 123.020 122.820 -0.001 0.000 2.195 351 A HA 0.659 4.978 4.320 -0.001 0.000 0.210 351 A C 2.579 180.137 177.584 -0.043 0.000 1.165 351 A CA 1.297 53.322 52.037 -0.020 0.000 0.806 351 A CB -0.227 18.762 19.000 -0.019 0.000 0.847 351 A HN 0.578 nan 8.150 nan 0.000 0.482 352 A N 0.155 122.969 122.820 -0.011 0.000 1.883 352 A HA 0.035 4.355 4.320 -0.001 0.000 0.217 352 A C 2.329 179.875 177.584 -0.063 0.000 1.186 352 A CA 1.977 54.008 52.037 -0.010 0.000 0.624 352 A CB -1.319 17.726 19.000 0.074 0.000 0.822 352 A HN 0.724 nan 8.150 nan 0.000 0.444 353 G N -1.124 107.641 108.800 -0.058 0.000 2.443 353 G HA2 0.091 4.050 3.960 -0.001 0.000 0.219 353 G HA3 0.091 4.050 3.960 -0.001 0.000 0.219 353 G C 1.590 176.417 174.900 -0.122 0.000 1.131 353 G CA 1.335 46.380 45.100 -0.092 0.000 0.775 353 G HN 0.803 nan 8.290 nan 0.000 0.547 354 A N 0.903 123.648 122.820 -0.125 0.000 1.903 354 A HA 0.520 4.839 4.320 -0.001 0.000 0.213 354 A C 2.749 180.195 177.584 -0.230 0.000 1.185 354 A CA 1.628 53.572 52.037 -0.156 0.000 0.628 354 A CB -0.596 18.329 19.000 -0.126 0.000 0.830 354 A HN 0.602 nan 8.150 nan 0.000 0.446 355 A N 0.170 122.836 122.820 -0.258 0.000 1.902 355 A HA -0.178 4.142 4.320 -0.001 0.000 0.217 355 A C 1.876 179.072 177.584 -0.646 0.000 1.181 355 A CA 1.781 53.544 52.037 -0.456 0.000 0.623 355 A CB -0.500 18.280 19.000 -0.368 0.000 0.818 355 A HN 0.601 nan 8.150 nan 0.000 0.443 356 E N -0.394 119.612 120.200 -0.323 0.000 2.152 356 E HA 0.006 4.355 4.350 -0.001 0.000 0.192 356 E C 2.233 178.779 176.600 -0.090 0.000 0.983 356 E CA 0.756 57.078 56.400 -0.129 0.000 0.818 356 E CB -0.233 29.457 29.700 -0.018 0.000 0.758 356 E HN 0.624 nan 8.360 nan 0.000 0.467 357 A N 1.093 123.822 122.820 -0.153 0.000 1.902 357 A HA -0.168 4.152 4.320 -0.001 0.000 0.217 357 A C 2.148 179.632 177.584 -0.166 0.000 1.181 357 A CA 0.975 52.934 52.037 -0.130 0.000 0.623 357 A CB -0.531 18.379 19.000 -0.149 0.000 0.818 357 A HN 0.145 nan 8.150 nan 0.000 0.443 358 I N -1.303 119.105 120.570 -0.270 0.000 2.163 358 I HA -0.260 3.909 4.170 -0.001 0.000 0.243 358 I C 2.219 178.192 176.117 -0.240 0.000 1.085 358 I CA 1.372 62.478 61.300 -0.323 0.000 1.347 358 I CB -0.516 37.243 38.000 -0.402 0.000 1.044 358 I HN 0.260 nan 8.210 nan 0.000 0.408 359 F N 0.780 120.633 119.950 -0.162 0.000 2.161 359 F HA -0.227 4.300 4.527 -0.001 0.000 0.300 359 F C 2.767 178.473 175.800 -0.156 0.000 1.089 359 F CA 0.634 58.551 58.000 -0.138 0.000 1.282 359 F CB -1.689 37.395 39.000 0.140 0.000 1.010 359 F HN 0.197 nan 8.300 nan 0.000 0.485 360 C N -0.561 118.817 119.300 0.131 0.000 2.413 360 C HA -0.134 4.326 4.460 -0.001 0.000 0.276 360 C C 2.944 177.918 174.990 -0.026 0.000 1.236 360 C CA 0.843 59.929 59.018 0.114 0.000 1.735 360 C CB -1.166 26.649 27.740 0.125 0.000 2.031 360 C HN 0.291 nan 8.230 nan 0.000 0.474 361 V N 1.044 120.888 119.914 -0.118 0.000 2.332 361 V HA -0.224 3.895 4.120 -0.001 0.000 0.248 361 V C 2.254 178.211 176.094 -0.228 0.000 1.055 361 V CA 1.938 64.141 62.300 -0.161 0.000 1.038 361 V CB -0.579 31.094 31.823 -0.250 0.000 0.651 361 V HN 0.569 nan 8.190 nan 0.000 0.450 362 L N -0.216 120.737 121.223 -0.451 0.000 2.240 362 L HA -0.006 4.333 4.340 -0.001 0.000 0.211 362 L C 2.668 179.284 176.870 -0.422 0.000 1.106 362 L CA 1.033 55.439 54.840 -0.723 0.000 0.793 362 L CB -0.748 40.285 42.059 -1.709 0.000 0.927 362 L HN 0.330 nan 8.230 nan 0.000 0.446 363 A N 0.651 123.327 122.820 -0.240 0.000 1.933 363 A HA -0.173 4.147 4.320 -0.001 0.000 0.218 363 A C 2.217 179.799 177.584 -0.003 0.000 1.175 363 A CA 1.489 53.527 52.037 0.002 0.000 0.628 363 A CB -0.545 18.368 19.000 -0.145 0.000 0.814 363 A HN 0.331 nan 8.150 nan 0.000 0.444 364 I N -1.212 119.347 120.570 -0.018 0.000 2.202 364 I HA -0.227 3.942 4.170 -0.001 0.000 0.242 364 I C 2.708 178.839 176.117 0.023 0.000 1.091 364 I CA 1.555 62.864 61.300 0.015 0.000 1.368 364 I CB -0.311 37.705 38.000 0.026 0.000 1.058 364 I HN 0.343 nan 8.210 nan 0.000 0.410 365 R N 0.796 121.301 120.500 0.009 0.000 2.091 365 R HA -0.199 4.140 4.340 -0.001 0.000 0.238 365 R C 0.860 177.194 176.300 0.056 0.000 1.136 365 R CA 1.993 58.115 56.100 0.036 0.000 0.959 365 R CB -0.049 30.273 30.300 0.037 0.000 0.856 365 R HN 0.307 nan 8.270 nan 0.000 0.437 366 D N -0.078 120.377 120.400 0.091 0.000 2.395 366 D HA 0.069 4.709 4.640 -0.001 0.000 0.213 366 D C -0.441 175.918 176.300 0.098 0.000 1.110 366 D CA -0.004 54.078 54.000 0.138 0.000 0.835 366 D CB 0.079 41.055 40.800 0.293 0.000 0.965 366 D HN 0.176 nan 8.370 nan 0.000 0.505 367 N N 0.987 119.726 118.700 0.065 0.000 2.686 367 N HA -0.223 4.516 4.740 -0.001 0.000 0.261 367 N C -0.456 175.068 175.510 0.022 0.000 1.001 367 N CA 0.569 53.640 53.050 0.035 0.000 0.764 367 N CB -0.767 37.736 38.487 0.025 0.000 0.898 367 N HN 0.418 nan 8.380 nan 0.000 0.544 368 I N -0.670 119.913 120.570 0.022 0.000 2.680 368 I HA 0.454 4.623 4.170 -0.001 0.000 0.291 368 I C -0.945 175.104 176.117 -0.113 0.000 1.244 368 I CA -0.682 60.603 61.300 -0.026 0.000 1.042 368 I CB 1.750 39.741 38.000 -0.013 0.000 1.277 368 I HN 0.115 nan 8.210 nan 0.000 0.423 369 A N 8.546 131.253 122.820 -0.188 0.000 2.260 369 A HA 0.752 5.072 4.320 -0.001 0.000 0.308 369 A C -2.659 174.788 177.584 -0.228 0.000 1.254 369 A CA -1.532 50.289 52.037 -0.360 0.000 0.874 369 A CB 0.074 18.959 19.000 -0.192 0.000 1.153 369 A HN 0.413 nan 8.150 nan 0.000 0.527 370 P HA 0.227 nan 4.420 nan 0.000 0.268 370 P C 0.080 177.338 177.300 -0.071 0.000 1.208 370 P CA 0.189 63.178 63.100 -0.186 0.000 0.777 370 P CB 0.646 32.256 31.700 -0.150 0.000 0.875 371 A N 2.035 124.798 122.820 -0.095 0.000 2.332 371 A HA 0.392 4.712 4.320 -0.001 0.000 0.258 371 A C 0.050 177.625 177.584 -0.015 0.000 1.087 371 A CA 0.052 52.062 52.037 -0.046 0.000 0.802 371 A CB -0.302 18.666 19.000 -0.054 0.000 1.042 371 A HN 0.481 nan 8.150 nan 0.000 0.489 372 T N 3.163 117.713 114.554 -0.007 0.000 2.794 372 T HA 0.391 4.740 4.350 -0.001 0.000 0.304 372 T C 0.273 174.946 174.700 -0.045 0.000 0.973 372 T CA -0.006 62.097 62.100 0.006 0.000 0.972 372 T CB -0.453 68.451 68.868 0.061 0.000 0.952 372 T HN 0.410 nan 8.240 nan 0.000 0.509 373 L N 3.607 124.817 121.223 -0.021 0.000 2.483 373 L HA 0.130 4.469 4.340 -0.001 0.000 0.275 373 L C 0.969 177.840 176.870 0.003 0.000 1.220 373 L CA -0.282 54.560 54.840 0.002 0.000 0.833 373 L CB 0.070 42.136 42.059 0.011 0.000 1.102 373 L HN 0.709 nan 8.230 nan 0.000 0.490 374 N N 0.141 118.880 118.700 0.065 0.000 2.878 374 N HA -0.193 4.547 4.740 -0.001 0.000 0.247 374 N C -0.271 175.264 175.510 0.041 0.000 1.021 374 N CA 0.553 53.653 53.050 0.083 0.000 0.873 374 N CB -0.994 37.521 38.487 0.047 0.000 1.128 374 N HN 0.334 nan 8.380 nan 0.000 0.571 375 L N 2.434 123.594 121.223 -0.105 0.000 2.391 375 L HA 0.129 4.468 4.340 -0.001 0.000 0.249 375 L C 1.425 178.249 176.870 -0.076 0.000 1.308 375 L CA 0.596 55.362 54.840 -0.124 0.000 1.209 375 L CB -0.010 41.947 42.059 -0.171 0.000 1.401 375 L HN 0.008 nan 8.230 nan 0.000 0.416 376 E N 1.202 121.459 120.200 0.095 0.000 2.060 376 E HA 0.089 4.438 4.350 -0.001 0.000 0.189 376 E C -0.049 176.608 176.600 0.095 0.000 0.974 376 E CA 0.718 57.215 56.400 0.163 0.000 0.808 376 E CB 0.163 29.939 29.700 0.127 0.000 0.768 376 E HN 0.571 nan 8.360 nan 0.000 0.453 377 N N 1.685 120.422 118.700 0.061 0.000 2.664 377 N HA 0.267 5.007 4.740 -0.001 0.000 0.257 377 N C -2.788 172.747 175.510 0.041 0.000 1.108 377 N CA -1.269 51.808 53.050 0.045 0.000 0.822 377 N CB 1.980 40.491 38.487 0.040 0.000 1.199 377 N HN -0.116 nan 8.380 nan 0.000 0.529 378 P HA 0.095 nan 4.420 nan 0.000 0.266 378 P C 0.788 178.113 177.300 0.042 0.000 1.195 378 P CA 0.121 63.247 63.100 0.042 0.000 0.768 378 P CB 0.951 32.660 31.700 0.015 0.000 0.838 379 S N 1.611 117.346 115.700 0.058 0.000 2.402 379 S HA -0.031 4.438 4.470 -0.001 0.000 0.229 379 S C 1.075 175.696 174.600 0.034 0.000 1.021 379 S CA 0.929 59.157 58.200 0.047 0.000 0.974 379 S CB -0.753 62.483 63.200 0.059 0.000 0.800 379 S HN 0.562 nan 8.310 nan 0.000 0.484 380 I N -2.007 118.581 120.570 0.031 0.000 2.894 380 I HA 0.584 4.754 4.170 -0.001 0.000 0.302 380 I C -1.227 174.888 176.117 -0.003 0.000 1.188 380 I CA -1.071 60.237 61.300 0.014 0.000 1.014 380 I CB 1.676 39.685 38.000 0.016 0.000 1.242 380 I HN -0.351 nan 8.210 nan 0.000 0.430 381 E N 2.225 122.420 120.200 -0.009 0.000 2.313 381 E HA 0.525 4.874 4.350 -0.001 0.000 0.272 381 E C -0.650 175.931 176.600 -0.033 0.000 1.038 381 E CA -0.193 56.194 56.400 -0.022 0.000 0.863 381 E CB 1.857 31.547 29.700 -0.017 0.000 1.060 381 E HN 0.740 nan 8.360 nan 0.000 0.402 382 T N 0.673 115.198 114.554 -0.048 0.000 2.900 382 T HA 0.286 4.636 4.350 -0.001 0.000 0.303 382 T C 0.417 175.080 174.700 -0.061 0.000 1.142 382 T CA -0.627 61.438 62.100 -0.059 0.000 1.007 382 T CB 0.910 69.727 68.868 -0.085 0.000 1.156 382 T HN 0.317 nan 8.240 nan 0.000 0.490 383 K N 1.893 122.257 120.400 -0.060 0.000 2.366 383 K HA 0.264 4.584 4.320 -0.001 0.000 0.198 383 K C 0.614 177.174 176.600 -0.066 0.000 1.044 383 K CA 0.427 56.675 56.287 -0.064 0.000 0.973 383 K CB -0.020 32.436 32.500 -0.074 0.000 0.767 383 K HN 0.546 nan 8.250 nan 0.000 0.475 384 I N 2.057 122.584 120.570 -0.073 0.000 2.634 384 I HA -0.068 4.102 4.170 -0.001 0.000 0.284 384 I C 0.252 176.321 176.117 -0.080 0.000 1.124 384 I CA -0.375 60.880 61.300 -0.075 0.000 1.417 384 I CB 0.427 38.371 38.000 -0.094 0.000 1.396 384 I HN 0.009 nan 8.210 nan 0.000 0.571 385 D N 6.590 126.956 120.400 -0.057 0.000 2.336 385 D HA 0.152 4.792 4.640 -0.001 0.000 0.249 385 D C 0.388 176.652 176.300 -0.060 0.000 1.213 385 D CA 0.022 53.993 54.000 -0.047 0.000 0.870 385 D CB 0.736 41.527 40.800 -0.015 0.000 1.076 385 D HN 0.394 nan 8.370 nan 0.000 0.483 386 L N 3.563 124.729 121.223 -0.096 0.000 2.629 386 L HA 0.089 4.429 4.340 -0.001 0.000 0.230 386 L C 0.432 177.266 176.870 -0.059 0.000 1.151 386 L CA -0.379 54.383 54.840 -0.130 0.000 0.924 386 L CB -0.025 41.889 42.059 -0.241 0.000 1.137 386 L HN 0.351 nan 8.230 nan 0.000 0.457 387 V N 0.043 119.938 119.914 -0.032 0.000 5.830 387 V HA -0.179 3.941 4.120 -0.001 0.000 0.274 387 V C -2.036 174.026 176.094 -0.054 0.000 0.632 387 V CA -0.246 62.044 62.300 -0.017 0.000 0.594 387 V CB -1.988 29.851 31.823 0.026 0.000 0.249 387 V HN 0.351 nan 8.190 nan 0.000 0.697 388 P HA 0.161 nan 4.420 nan 0.000 0.268 388 P C 1.035 178.227 177.300 -0.180 0.000 1.204 388 P CA 0.884 63.823 63.100 -0.269 0.000 0.768 388 P CB 0.782 32.274 31.700 -0.347 0.000 0.842 389 H N -0.343 118.723 119.070 -0.007 0.000 4.919 389 H HA -0.167 4.388 4.556 -0.001 0.000 0.068 389 H C -0.016 175.289 175.328 -0.039 0.000 0.578 389 H CA 1.629 57.665 56.048 -0.020 0.000 1.013 389 H CB -1.390 28.362 29.762 -0.018 0.000 0.454 389 H HN 0.539 nan 8.280 nan 0.000 0.774 390 K N 1.768 122.217 120.400 0.082 0.000 2.426 390 K HA 0.462 4.781 4.320 -0.001 0.000 0.251 390 K C -2.726 173.852 176.600 -0.035 0.000 0.941 390 K CA -1.737 54.553 56.287 0.004 0.000 0.808 390 K CB 2.869 35.373 32.500 0.006 0.000 1.265 390 K HN -0.060 nan 8.250 nan 0.000 0.432 391 P HA 0.078 nan 4.420 nan 0.000 0.272 391 P C -1.106 176.149 177.300 -0.075 0.000 1.230 391 P CA -0.351 62.684 63.100 -0.107 0.000 0.788 391 P CB 0.558 32.148 31.700 -0.183 0.000 0.949 392 R N 1.528 121.988 120.500 -0.067 0.000 2.360 392 R HA 0.238 4.578 4.340 -0.001 0.000 0.318 392 R C -0.564 175.709 176.300 -0.044 0.000 0.950 392 R CA -0.420 55.655 56.100 -0.041 0.000 0.837 392 R CB 0.734 31.024 30.300 -0.018 0.000 1.165 392 R HN 0.444 nan 8.270 nan 0.000 0.458 393 E N 4.787 124.965 120.200 -0.036 0.000 2.290 393 E HA 0.135 4.485 4.350 -0.001 0.000 0.277 393 E C -0.455 176.138 176.600 -0.012 0.000 1.035 393 E CA 0.072 56.456 56.400 -0.025 0.000 0.873 393 E CB 0.907 30.594 29.700 -0.022 0.000 1.029 393 E HN 0.592 nan 8.360 nan 0.000 0.419 394 R N 1.291 121.787 120.500 -0.006 0.000 2.741 394 R HA 0.275 4.615 4.340 -0.001 0.000 0.276 394 R C -1.291 175.015 176.300 0.011 0.000 1.028 394 R CA -1.136 54.968 56.100 0.005 0.000 0.865 394 R CB 0.663 30.970 30.300 0.012 0.000 1.268 394 R HN 0.200 nan 8.270 nan 0.000 0.475 395 K N 1.753 122.163 120.400 0.017 0.000 2.412 395 K HA 0.230 4.550 4.320 -0.001 0.000 0.284 395 K C -0.856 175.762 176.600 0.030 0.000 1.046 395 K CA 0.023 56.322 56.287 0.020 0.000 0.999 395 K CB 0.359 32.869 32.500 0.018 0.000 0.941 395 K HN 0.519 nan 8.250 nan 0.000 0.474 396 I N 5.146 125.734 120.570 0.031 0.000 2.517 396 I HA 0.115 4.285 4.170 -0.001 0.000 0.280 396 I C -0.563 175.580 176.117 0.043 0.000 1.061 396 I CA -0.567 60.761 61.300 0.047 0.000 1.091 396 I CB 1.669 39.691 38.000 0.036 0.000 1.205 396 I HN 0.729 nan 8.210 nan 0.000 0.459 397 D N 2.468 122.894 120.400 0.043 0.000 2.470 397 D HA 0.118 4.758 4.640 -0.001 0.000 0.238 397 D C 0.296 176.620 176.300 0.041 0.000 1.054 397 D CA 0.901 54.921 54.000 0.034 0.000 0.896 397 D CB 1.047 41.858 40.800 0.018 0.000 1.118 397 D HN 0.322 nan 8.370 nan 0.000 0.497 398 T N 1.368 115.950 114.554 0.047 0.000 2.841 398 T HA 0.546 4.896 4.350 -0.001 0.000 0.285 398 T C -0.186 174.554 174.700 0.067 0.000 0.991 398 T CA -0.727 61.400 62.100 0.044 0.000 0.966 398 T CB 2.432 71.312 68.868 0.021 0.000 0.962 398 T HN -0.077 nan 8.240 nan 0.000 0.438 399 V N 1.710 121.665 119.914 0.067 0.000 2.876 399 V HA 0.937 5.056 4.120 -0.001 0.000 0.312 399 V C -1.259 174.852 176.094 0.028 0.000 1.085 399 V CA -1.198 61.152 62.300 0.084 0.000 0.945 399 V CB 1.891 33.811 31.823 0.161 0.000 1.017 399 V HN 0.743 nan 8.190 nan 0.000 0.428 400 L N 2.872 124.084 121.223 -0.018 0.000 2.365 400 L HA 0.907 5.246 4.340 -0.001 0.000 0.273 400 L C -0.252 176.567 176.870 -0.085 0.000 1.000 400 L CA 0.094 54.909 54.840 -0.042 0.000 0.819 400 L CB 2.096 44.130 42.059 -0.042 0.000 1.284 400 L HN 1.042 nan 8.230 nan 0.000 0.418 401 S N 3.559 119.216 115.700 -0.072 0.000 2.532 401 S HA 0.653 5.122 4.470 -0.001 0.000 0.299 401 S C -1.141 173.370 174.600 -0.149 0.000 1.105 401 S CA -0.763 57.374 58.200 -0.105 0.000 1.018 401 S CB 0.679 63.834 63.200 -0.074 0.000 1.021 401 S HN 0.737 nan 8.310 nan 0.000 0.483 402 N N 2.166 120.726 118.700 -0.232 0.000 2.405 402 N HA 0.548 5.287 4.740 -0.001 0.000 0.299 402 N C -1.385 173.754 175.510 -0.618 0.000 1.075 402 N CA -0.399 52.365 53.050 -0.476 0.000 0.884 402 N CB 1.864 39.987 38.487 -0.607 0.000 1.194 402 N HN 0.477 nan 8.380 nan 0.000 0.491 403 S N 1.568 116.791 115.700 -0.794 0.000 2.736 403 S HA 0.524 4.993 4.470 -0.001 0.000 0.285 403 S C -1.346 172.852 174.600 -0.670 0.000 1.163 403 S CA -0.598 57.244 58.200 -0.597 0.000 1.025 403 S CB 0.394 63.436 63.200 -0.264 0.000 1.030 403 S HN 0.282 nan 8.310 nan 0.000 0.486 404 F N 1.749 121.284 119.950 -0.692 0.000 2.434 404 F HA 0.608 5.135 4.527 -0.001 0.000 0.355 404 F C 0.789 176.230 175.800 -0.598 0.000 1.115 404 F CA -1.132 56.480 58.000 -0.645 0.000 1.010 404 F CB 1.181 39.776 39.000 -0.675 0.000 1.234 404 F HN 0.622 nan 8.300 nan 0.000 0.439 405 G N 1.586 110.334 108.800 -0.086 0.000 2.412 405 G HA2 0.508 4.467 3.960 -0.001 0.000 0.318 405 G HA3 0.508 4.467 3.960 -0.001 0.000 0.318 405 G C -0.740 174.141 174.900 -0.030 0.000 1.146 405 G CA -0.577 44.476 45.100 -0.078 0.000 0.882 405 G HN 0.249 nan 8.290 nan 0.000 0.501 406 F N 0.482 120.539 119.950 0.179 0.000 2.629 406 F HA 0.318 4.845 4.527 -0.001 0.000 0.377 406 F C 1.649 177.528 175.800 0.132 0.000 1.101 406 F CA 1.644 59.752 58.000 0.179 0.000 1.301 406 F CB 0.700 39.823 39.000 0.205 0.000 1.062 406 F HN 0.855 nan 8.300 nan 0.000 0.583 407 G N 0.707 109.687 108.800 0.300 0.000 2.195 407 G HA2 0.085 4.044 3.960 -0.001 0.000 0.224 407 G HA3 0.085 4.044 3.960 -0.001 0.000 0.224 407 G C 0.891 175.877 174.900 0.143 0.000 0.990 407 G CA -0.007 45.202 45.100 0.181 0.000 0.639 407 G HN 1.889 nan 8.290 nan 0.000 0.514 408 G N -1.027 107.863 108.800 0.149 0.000 2.149 408 G HA2 0.095 4.055 3.960 -0.001 0.000 0.235 408 G HA3 0.095 4.055 3.960 -0.001 0.000 0.235 408 G C 0.368 175.318 174.900 0.083 0.000 1.018 408 G CA 1.322 46.486 45.100 0.107 0.000 0.728 408 G HN 1.988 nan 8.290 nan 0.000 0.508 409 T N 0.899 115.518 114.554 0.108 0.000 2.727 409 T HA 0.526 4.875 4.350 -0.001 0.000 0.298 409 T C 0.118 174.929 174.700 0.184 0.000 0.942 409 T CA -0.454 61.734 62.100 0.146 0.000 0.997 409 T CB 0.023 68.990 68.868 0.165 0.000 0.917 409 T HN 0.303 nan 8.240 nan 0.000 0.487 410 N N 3.414 122.220 118.700 0.176 0.000 2.399 410 N HA 0.706 5.445 4.740 -0.001 0.000 0.295 410 N C -0.987 174.596 175.510 0.121 0.000 1.048 410 N CA -0.556 52.629 53.050 0.226 0.000 0.886 410 N CB 1.980 40.564 38.487 0.162 0.000 1.185 410 N HN 0.738 nan 8.380 nan 0.000 0.487 411 A N 0.661 123.490 122.820 0.015 0.000 2.449 411 A HA 0.759 5.078 4.320 -0.001 0.000 0.302 411 A C -0.853 176.691 177.584 -0.066 0.000 1.048 411 A CA -0.567 51.394 52.037 -0.128 0.000 0.708 411 A CB 1.161 19.874 19.000 -0.478 0.000 1.274 411 A HN 0.462 nan 8.150 nan 0.000 0.410 412 S N 0.796 116.502 115.700 0.011 0.000 2.538 412 S HA 0.743 5.213 4.470 -0.001 0.000 0.288 412 S C -0.958 173.686 174.600 0.073 0.000 1.108 412 S CA -0.414 57.792 58.200 0.010 0.000 0.971 412 S CB 1.214 64.441 63.200 0.044 0.000 1.041 412 S HN 0.594 nan 8.310 nan 0.000 0.483 413 L N 2.260 123.494 121.223 0.019 0.000 2.362 413 L HA 0.735 5.074 4.340 -0.001 0.000 0.271 413 L C -1.127 175.748 176.870 0.009 0.000 1.002 413 L CA -0.953 53.904 54.840 0.027 0.000 0.818 413 L CB 1.987 44.021 42.059 -0.041 0.000 1.298 413 L HN 0.343 nan 8.230 nan 0.000 0.420 414 V N 3.495 123.422 119.914 0.022 0.000 2.487 414 V HA 0.545 4.665 4.120 -0.001 0.000 0.298 414 V C -0.110 175.992 176.094 0.012 0.000 1.028 414 V CA -0.337 61.973 62.300 0.016 0.000 0.860 414 V CB 1.769 33.605 31.823 0.022 0.000 0.991 414 V HN 0.711 nan 8.190 nan 0.000 0.427 415 M N 4.440 124.049 119.600 0.014 0.000 2.644 415 M HA 0.716 5.195 4.480 -0.001 0.000 0.304 415 M C -0.626 175.693 176.300 0.033 0.000 1.215 415 M CA -0.704 54.605 55.300 0.016 0.000 0.871 415 M CB 3.103 35.705 32.600 0.002 0.000 1.740 415 M HN 0.588 nan 8.290 nan 0.000 0.464 416 R N 0.462 120.988 120.500 0.043 0.000 2.668 416 R HA 0.464 4.804 4.340 -0.001 0.000 0.272 416 R C -1.128 175.217 176.300 0.074 0.000 1.019 416 R CA -0.834 55.297 56.100 0.052 0.000 0.894 416 R CB 2.386 32.712 30.300 0.044 0.000 1.228 416 R HN 0.797 nan 8.270 nan 0.000 0.460 417 R N 2.788 123.326 120.500 0.064 0.000 2.583 417 R HA -0.033 4.306 4.340 -0.001 0.000 0.274 417 R C -1.024 175.340 176.300 0.106 0.000 0.998 417 R CA 0.245 56.392 56.100 0.077 0.000 1.081 417 R CB 0.315 30.637 30.300 0.038 0.000 0.940 417 R HN 0.459 nan 8.270 nan 0.000 0.413 418 F N 4.141 124.089 119.950 -0.004 0.000 2.411 418 F HA 0.225 4.752 4.527 -0.001 0.000 0.355 418 F C 0.120 175.912 175.800 -0.013 0.000 1.117 418 F CA 0.076 58.070 58.000 -0.010 0.000 1.139 418 F CB 1.515 40.506 39.000 -0.014 0.000 1.120 418 F HN 0.570 nan 8.300 nan 0.000 0.493 419 S N 2.083 117.322 115.700 -0.769 0.000 2.694 419 S HA 0.176 4.646 4.470 -0.001 0.000 0.225 419 S C 0.149 174.119 174.600 -1.052 0.000 1.012 419 S CA 0.408 58.215 58.200 -0.656 0.000 0.896 419 S CB 0.294 63.289 63.200 -0.342 0.000 0.838 419 S HN 0.635 nan 8.310 nan 0.000 0.604 420 E N 0.000 119.588 120.200 -1.019 0.000 2.725 420 E HA 0.000 4.349 4.350 -0.001 0.000 0.291 420 E CA 0.000 55.923 56.400 -0.795 0.000 0.976 420 E CB 0.000 29.520 29.700 -0.300 0.000 0.812 420 E HN 0.000 nan 8.360 nan 0.000 0.440