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 2q14_1_C DATA FIRST_RESID 2 DATA SEQUENCE PYERKIINDP VFGFINIPKG LLYDIVRHPL LQRLTRIKQV GLSSVVYPGA DATA SEQUENCE QHTRFQHSLG AFYLXSEAIT QLTSKGNFIF DSEAEAVQAA ILLHDIGHGP DATA SEQUENCE FSHVLEDTIV QGVSHEEISL XLXERXNKEX NGQLSLAIQI FKDEYPKRFL DATA SEQUENCE HQLVSGQLDX DRLDYLRRDS FYTGVTEGNI GSARIIKXLD VADDRLVIES DATA SEQUENCE KGIYSIENFL TARRLXYWQV YLHKTSVAYE RXLISTLLRA KELASQGVEL DATA SEQUENCE FASPALHFFL YNDINHTEFH NNPDCLENFI QLDDNDIWTA LKVWSNHPDK DATA SEQUENCE VLSTLSLGXI NRNIFKVENS AEPIGEDRIK ELTLQISQQL GITLSEANYF DATA SEQUENCE VSTPSIEKNX YDPADDSIDI IYKDGTIKNI AEASDXLNIS LLSKKVKKYY DATA SEQUENCE LCYQR VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 P HA 0.000 nan 4.420 nan 0.000 0.216 2 P C 0.000 177.301 177.300 0.002 0.000 1.155 2 P CA 0.000 63.102 63.100 0.002 0.000 0.800 2 P CB 0.000 31.704 31.700 0.007 0.000 0.726 3 Y N 0.504 120.804 120.300 0.001 0.000 2.509 3 Y HA 0.784 5.334 4.550 0.001 0.000 0.341 3 Y C 0.416 176.308 175.900 -0.014 0.000 1.038 3 Y CA -0.923 57.177 58.100 -0.001 0.000 1.089 3 Y CB 0.349 38.815 38.460 0.009 0.000 1.241 3 Y HN 0.170 nan 8.280 nan 0.000 0.468 4 E N 1.964 122.149 120.200 -0.024 0.000 2.354 4 E HA 0.550 4.901 4.350 0.001 0.000 0.269 4 E C -0.183 176.378 176.600 -0.065 0.000 1.036 4 E CA -0.266 56.106 56.400 -0.047 0.000 0.876 4 E CB 0.355 30.021 29.700 -0.057 0.000 1.009 4 E HN 0.947 nan 8.360 nan 0.000 0.416 5 R N -0.176 120.278 120.500 -0.078 0.000 2.562 5 R HA 0.661 5.002 4.340 0.001 0.000 0.298 5 R C -0.691 175.522 176.300 -0.145 0.000 0.961 5 R CA -0.979 55.068 56.100 -0.088 0.000 0.881 5 R CB 1.277 31.555 30.300 -0.036 0.000 1.159 5 R HN 0.203 nan 8.270 nan 0.000 0.450 6 K N 2.969 123.237 120.400 -0.221 0.000 2.174 6 K HA 0.408 4.728 4.320 0.001 0.000 0.275 6 K C -0.160 176.380 176.600 -0.098 0.000 1.015 6 K CA -0.514 55.617 56.287 -0.261 0.000 0.933 6 K CB 1.109 33.236 32.500 -0.622 0.000 1.025 6 K HN 0.510 nan 8.250 nan 0.000 0.463 7 I N 2.475 123.002 120.570 -0.072 0.000 2.389 7 I HA 0.452 4.622 4.170 0.001 0.000 0.288 7 I C -0.255 175.898 176.117 0.060 0.000 0.999 7 I CA -0.438 60.851 61.300 -0.019 0.000 1.129 7 I CB 1.300 39.203 38.000 -0.160 0.000 1.288 7 I HN 0.462 nan 8.210 nan 0.000 0.444 8 I N 5.432 126.088 120.570 0.143 0.000 2.474 8 I HA 0.331 4.501 4.170 0.001 0.000 0.294 8 I C -0.339 175.903 176.117 0.209 0.000 1.005 8 I CA -0.793 60.614 61.300 0.177 0.000 1.113 8 I CB 1.742 39.865 38.000 0.204 0.000 1.289 8 I HN 0.507 nan 8.210 nan 0.000 0.436 9 N N 3.723 122.543 118.700 0.199 0.000 2.520 9 N HA 0.201 4.941 4.740 0.001 0.000 0.273 9 N C -0.969 174.594 175.510 0.089 0.000 1.155 9 N CA 0.103 53.251 53.050 0.163 0.000 0.967 9 N CB 0.565 39.136 38.487 0.140 0.000 1.092 9 N HN 0.457 nan 8.380 nan 0.000 0.457 10 D N 1.675 122.078 120.400 0.004 0.000 2.696 10 D HA 0.285 4.925 4.640 0.001 0.000 0.251 10 D C -2.008 174.190 176.300 -0.169 0.000 1.188 10 D CA -2.187 51.783 54.000 -0.051 0.000 0.876 10 D CB 1.714 42.480 40.800 -0.055 0.000 1.334 10 D HN 0.212 nan 8.370 nan 0.000 0.540 11 P HA -0.134 nan 4.420 nan 0.000 0.218 11 P C 1.410 178.342 177.300 -0.613 0.000 1.148 11 P CA 0.540 63.460 63.100 -0.301 0.000 0.822 11 P CB 0.510 32.083 31.700 -0.212 0.000 0.784 12 V N -1.579 117.832 119.914 -0.839 0.000 2.323 12 V HA -0.133 3.987 4.120 0.001 0.000 0.244 12 V C 2.034 177.607 176.094 -0.869 0.000 1.041 12 V CA 1.775 63.388 62.300 -1.144 0.000 1.025 12 V CB -1.044 30.052 31.823 -1.212 0.000 0.656 12 V HN -0.053 nan 8.190 nan 0.000 0.451 13 F N -0.844 118.883 119.950 -0.372 0.000 2.746 13 F HA 0.599 5.127 4.527 0.001 0.000 0.313 13 F C 1.337 176.840 175.800 -0.495 0.000 1.095 13 F CA 0.364 58.105 58.000 -0.433 0.000 1.224 13 F CB 0.389 38.997 39.000 -0.652 0.000 1.060 13 F HN 0.270 nan 8.300 nan 0.000 0.584 14 G N 0.512 109.155 108.800 -0.262 0.000 2.513 14 G HA2 -0.214 3.746 3.960 0.001 0.000 0.227 14 G HA3 -0.214 3.746 3.960 0.001 0.000 0.227 14 G C -0.736 174.025 174.900 -0.232 0.000 1.176 14 G CA -0.913 43.997 45.100 -0.318 0.000 0.967 14 G HN -0.125 nan 8.290 nan 0.000 0.587 15 F N 1.530 121.427 119.950 -0.088 0.000 2.467 15 F HA 0.613 5.140 4.527 0.001 0.000 0.362 15 F C 1.179 176.962 175.800 -0.027 0.000 1.090 15 F CA -0.529 57.452 58.000 -0.031 0.000 1.202 15 F CB 0.688 39.696 39.000 0.013 0.000 1.113 15 F HN 0.330 nan 8.300 nan 0.000 0.541 16 I N 4.348 125.058 120.570 0.234 0.000 2.330 16 I HA 0.199 4.370 4.170 0.001 0.000 0.289 16 I C -0.036 176.246 176.117 0.275 0.000 1.001 16 I CA -0.586 60.870 61.300 0.260 0.000 1.193 16 I CB 0.858 39.005 38.000 0.246 0.000 1.345 16 I HN 0.434 nan 8.210 nan 0.000 0.461 17 N N 7.368 126.240 118.700 0.286 0.000 2.419 17 N HA 0.445 5.185 4.740 0.001 0.000 0.264 17 N C -0.823 174.883 175.510 0.326 0.000 1.031 17 N CA -0.197 52.980 53.050 0.213 0.000 0.951 17 N CB 1.602 40.171 38.487 0.135 0.000 1.101 17 N HN 0.438 nan 8.380 nan 0.000 0.488 18 I N 4.673 125.373 120.570 0.217 0.000 2.390 18 I HA 0.284 4.454 4.170 0.001 0.000 0.283 18 I C -2.169 174.009 176.117 0.103 0.000 1.016 18 I CA -2.067 59.361 61.300 0.212 0.000 1.151 18 I CB 1.826 39.911 38.000 0.141 0.000 1.293 18 I HN 0.193 nan 8.210 nan 0.000 0.458 19 P HA 0.082 nan 4.420 nan 0.000 0.265 19 P C 0.070 177.413 177.300 0.070 0.000 1.193 19 P CA -0.075 63.075 63.100 0.083 0.000 0.765 19 P CB 0.295 32.059 31.700 0.106 0.000 0.823 20 K N 2.075 122.489 120.400 0.023 0.000 2.440 20 K HA 0.468 4.789 4.320 0.001 0.000 0.270 20 K C 1.033 177.685 176.600 0.087 0.000 0.980 20 K CA 0.508 56.829 56.287 0.055 0.000 0.953 20 K CB -0.889 31.619 32.500 0.013 0.000 0.925 20 K HN 0.958 nan 8.250 nan 0.000 0.497 21 G N -0.535 108.333 108.800 0.113 0.000 2.408 21 G HA2 -0.019 3.941 3.960 0.001 0.000 0.204 21 G HA3 -0.019 3.941 3.960 0.001 0.000 0.204 21 G C 0.727 175.675 174.900 0.080 0.000 1.186 21 G CA 0.512 45.661 45.100 0.082 0.000 1.139 21 G HN 1.650 nan 8.290 nan 0.000 0.563 22 L N 1.036 122.292 121.223 0.054 0.000 2.012 22 L HA 0.128 4.469 4.340 0.001 0.000 0.210 22 L C 2.868 179.752 176.870 0.023 0.000 1.073 22 L CA 2.925 57.785 54.840 0.034 0.000 0.748 22 L CB -0.884 41.190 42.059 0.025 0.000 0.891 22 L HN 0.593 nan 8.230 nan 0.000 0.431 23 L N -2.214 119.029 121.223 0.033 0.000 1.994 23 L HA -0.248 4.092 4.340 0.001 0.000 0.208 23 L C 2.518 179.382 176.870 -0.011 0.000 1.071 23 L CA 1.534 56.360 54.840 -0.024 0.000 0.745 23 L CB -0.965 41.087 42.059 -0.011 0.000 0.892 23 L HN 0.284 nan 8.230 nan 0.000 0.431 24 Y N 1.288 121.549 120.300 -0.064 0.000 2.274 24 Y HA -0.272 4.279 4.550 0.001 0.000 0.290 24 Y C 2.278 178.172 175.900 -0.010 0.000 1.145 24 Y CA 1.387 59.462 58.100 -0.041 0.000 1.203 24 Y CB -0.380 38.075 38.460 -0.008 0.000 0.984 24 Y HN 0.254 nan 8.280 nan 0.000 0.533 25 D N 0.020 120.399 120.400 -0.036 0.000 2.149 25 D HA -0.202 4.438 4.640 0.001 0.000 0.198 25 D C 2.334 178.596 176.300 -0.062 0.000 0.990 25 D CA 1.764 55.718 54.000 -0.076 0.000 0.839 25 D CB -0.339 40.465 40.800 0.006 0.000 0.948 25 D HN 0.427 nan 8.370 nan 0.000 0.460 26 I N 0.338 120.872 120.570 -0.059 0.000 2.179 26 I HA -0.223 3.947 4.170 0.001 0.000 0.242 26 I C 2.421 178.509 176.117 -0.049 0.000 1.088 26 I CA 0.600 61.865 61.300 -0.059 0.000 1.357 26 I CB -0.234 37.706 38.000 -0.099 0.000 1.051 26 I HN -0.119 nan 8.210 nan 0.000 0.409 27 V N 1.729 121.574 119.914 -0.114 0.000 2.392 27 V HA -0.262 3.858 4.120 0.001 0.000 0.249 27 V C 2.415 178.493 176.094 -0.026 0.000 1.059 27 V CA 2.312 64.582 62.300 -0.051 0.000 1.051 27 V CB -0.937 30.853 31.823 -0.054 0.000 0.658 27 V HN 0.563 nan 8.190 nan 0.000 0.455 28 R N -0.689 119.665 120.500 -0.243 0.000 2.317 28 R HA 0.038 4.378 4.340 0.001 0.000 0.208 28 R C 1.205 177.442 176.300 -0.105 0.000 0.914 28 R CA -0.054 55.897 56.100 -0.250 0.000 1.060 28 R CB -0.329 29.665 30.300 -0.511 0.000 1.015 28 R HN 0.516 nan 8.270 nan 0.000 0.498 29 H N 2.622 121.622 119.070 -0.116 0.000 2.928 29 H HA 0.070 4.627 4.556 0.001 0.000 0.338 29 H C -1.629 173.672 175.328 -0.045 0.000 1.047 29 H CA -1.501 54.504 56.048 -0.071 0.000 1.435 29 H CB 1.594 31.323 29.762 -0.054 0.000 1.428 29 H HN -0.097 nan 8.280 nan 0.000 0.590 30 P HA -0.171 nan 4.420 nan 0.000 0.217 30 P C 1.748 179.125 177.300 0.127 0.000 1.148 30 P CA 1.130 64.196 63.100 -0.057 0.000 0.834 30 P CB 0.201 31.806 31.700 -0.158 0.000 0.783 31 L N -2.281 119.181 121.223 0.398 0.000 2.156 31 L HA -0.124 4.216 4.340 0.001 0.000 0.208 31 L C 2.261 179.221 176.870 0.150 0.000 1.095 31 L CA 0.830 55.806 54.840 0.227 0.000 0.770 31 L CB -0.611 41.540 42.059 0.152 0.000 0.914 31 L HN 0.007 nan 8.230 nan 0.000 0.439 32 L N -1.011 120.315 121.223 0.172 0.000 2.162 32 L HA -0.084 4.256 4.340 0.001 0.000 0.205 32 L C 2.589 179.590 176.870 0.217 0.000 1.086 32 L CA 1.195 56.146 54.840 0.184 0.000 0.778 32 L CB -0.337 41.830 42.059 0.179 0.000 0.928 32 L HN 0.165 nan 8.230 nan 0.000 0.446 33 Q N -0.000 119.858 119.800 0.097 0.000 2.226 33 Q HA -0.206 4.134 4.340 0.001 0.000 0.204 33 Q C 2.154 178.108 176.000 -0.077 0.000 0.975 33 Q CA 1.432 57.188 55.803 -0.079 0.000 0.866 33 Q CB -0.351 28.322 28.738 -0.108 0.000 0.915 33 Q HN 0.622 nan 8.270 nan 0.000 0.440 34 R N 0.292 120.792 120.500 0.001 0.000 2.189 34 R HA -0.030 4.310 4.340 0.001 0.000 0.223 34 R C 1.867 178.169 176.300 0.002 0.000 1.092 34 R CA 0.725 56.820 56.100 -0.008 0.000 0.989 34 R CB -0.464 29.843 30.300 0.011 0.000 0.876 34 R HN 0.191 nan 8.270 nan 0.000 0.457 35 L N 2.179 123.438 121.223 0.061 0.000 2.456 35 L HA -0.050 4.291 4.340 0.001 0.000 0.224 35 L C 2.152 179.074 176.870 0.087 0.000 1.148 35 L CA 1.465 56.361 54.840 0.094 0.000 0.825 35 L CB -0.689 41.476 42.059 0.177 0.000 0.937 35 L HN 0.445 nan 8.230 nan 0.000 0.450 36 T N -3.199 111.347 114.554 -0.014 0.000 3.051 36 T HA -0.133 4.218 4.350 0.001 0.000 0.269 36 T C 1.691 176.351 174.700 -0.066 0.000 1.127 36 T CA 0.663 62.708 62.100 -0.093 0.000 1.107 36 T CB -0.123 68.574 68.868 -0.284 0.000 0.898 36 T HN 0.340 nan 8.240 nan 0.000 0.517 37 R N 0.077 120.544 120.500 -0.055 0.000 2.509 37 R HA 0.466 4.807 4.340 0.001 0.000 0.300 37 R C -0.377 175.886 176.300 -0.062 0.000 0.985 37 R CA -0.116 55.953 56.100 -0.052 0.000 1.092 37 R CB 0.530 30.803 30.300 -0.044 0.000 1.237 37 R HN 0.433 nan 8.270 nan 0.000 0.546 38 I N 1.424 121.946 120.570 -0.079 0.000 2.410 38 I HA 0.246 4.416 4.170 0.001 0.000 0.286 38 I C -0.339 175.671 176.117 -0.177 0.000 1.009 38 I CA -0.864 60.352 61.300 -0.140 0.000 1.111 38 I CB 1.975 39.897 38.000 -0.129 0.000 1.262 38 I HN -0.199 nan 8.210 nan 0.000 0.443 39 K N 3.641 123.895 120.400 -0.244 0.000 2.382 39 K HA 0.015 4.336 4.320 0.001 0.000 0.275 39 K C 0.820 177.214 176.600 -0.343 0.000 1.009 39 K CA -0.054 56.066 56.287 -0.280 0.000 0.970 39 K CB 0.964 33.309 32.500 -0.257 0.000 0.934 39 K HN 0.442 nan 8.250 nan 0.000 0.479 40 Q N 1.977 121.535 119.800 -0.404 0.000 2.079 40 Q HA -0.098 4.243 4.340 0.001 0.000 0.200 40 Q C 0.407 176.173 176.000 -0.390 0.000 0.974 40 Q CA 1.331 56.891 55.803 -0.405 0.000 0.840 40 Q CB 0.421 28.938 28.738 -0.367 0.000 0.898 40 Q HN 0.483 nan 8.270 nan 0.000 0.430 41 V N -2.720 116.962 119.914 -0.387 0.000 2.405 41 V HA 0.604 4.725 4.120 0.001 0.000 0.253 41 V C 0.849 176.879 176.094 -0.106 0.000 0.963 41 V CA -0.066 62.120 62.300 -0.190 0.000 1.003 41 V CB 0.269 32.071 31.823 -0.035 0.000 1.251 41 V HN 0.170 nan 8.190 nan 0.000 0.520 42 G N 1.672 110.386 108.800 -0.143 0.000 2.448 42 G HA2 -0.105 3.856 3.960 0.001 0.000 0.219 42 G HA3 -0.105 3.856 3.960 0.001 0.000 0.219 42 G C 1.030 176.106 174.900 0.293 0.000 1.127 42 G CA 0.930 46.014 45.100 -0.028 0.000 0.766 42 G HN 0.625 nan 8.290 nan 0.000 0.552 43 L N 0.630 122.027 121.223 0.291 0.000 2.554 43 L HA 0.139 4.479 4.340 0.001 0.000 0.226 43 L C 2.457 179.465 176.870 0.230 0.000 1.137 43 L CA 0.197 55.257 54.840 0.367 0.000 0.863 43 L CB 0.316 42.547 42.059 0.286 0.000 0.985 43 L HN 0.087 nan 8.230 nan 0.000 0.451 44 S N -0.990 114.814 115.700 0.173 0.000 2.503 44 S HA -0.064 4.406 4.470 0.001 0.000 0.217 44 S C 2.133 176.814 174.600 0.134 0.000 0.999 44 S CA 0.819 59.125 58.200 0.176 0.000 0.914 44 S CB 0.160 63.510 63.200 0.251 0.000 0.782 44 S HN 0.567 nan 8.310 nan 0.000 0.520 45 S N 1.314 117.078 115.700 0.107 0.000 2.419 45 S HA -0.025 4.445 4.470 0.001 0.000 0.233 45 S C 1.803 176.376 174.600 -0.045 0.000 1.016 45 S CA 0.823 59.062 58.200 0.064 0.000 0.974 45 S CB -0.667 62.569 63.200 0.060 0.000 0.786 45 S HN 0.263 nan 8.310 nan 0.000 0.492 46 V N 1.052 120.883 119.914 -0.138 0.000 2.469 46 V HA -0.090 4.031 4.120 0.001 0.000 0.251 46 V C 2.174 178.065 176.094 -0.338 0.000 1.064 46 V CA 1.898 63.991 62.300 -0.344 0.000 1.066 46 V CB -0.214 31.128 31.823 -0.802 0.000 0.667 46 V HN 0.550 nan 8.190 nan 0.000 0.461 47 V N -1.625 118.061 119.914 -0.379 0.000 2.795 47 V HA 0.153 4.274 4.120 0.001 0.000 0.243 47 V C 0.326 176.032 176.094 -0.647 0.000 1.069 47 V CA 0.393 62.309 62.300 -0.639 0.000 1.089 47 V CB -0.140 31.018 31.823 -1.108 0.000 0.756 47 V HN 0.540 nan 8.190 nan 0.000 0.471 48 Y N 0.234 120.474 120.300 -0.100 0.000 2.686 48 Y HA 0.432 4.983 4.550 0.001 0.000 0.331 48 Y C -1.982 173.909 175.900 -0.014 0.000 0.996 48 Y CA -2.814 55.262 58.100 -0.040 0.000 1.293 48 Y CB 0.829 39.287 38.460 -0.003 0.000 1.092 48 Y HN 0.110 nan 8.280 nan 0.000 0.524 49 P HA -0.126 nan 4.420 nan 0.000 0.221 49 P C 1.619 178.973 177.300 0.091 0.000 1.145 49 P CA 1.451 64.578 63.100 0.045 0.000 0.795 49 P CB 0.355 32.059 31.700 0.006 0.000 0.775 50 G N 0.045 108.926 108.800 0.136 0.000 2.598 50 G HA2 -0.032 3.928 3.960 0.001 0.000 0.215 50 G HA3 -0.032 3.928 3.960 0.001 0.000 0.215 50 G C 0.935 176.018 174.900 0.305 0.000 1.131 50 G CA 0.364 45.573 45.100 0.182 0.000 0.785 50 G HN 0.394 nan 8.290 nan 0.000 0.539 51 A N 0.593 123.571 122.820 0.263 0.000 3.077 51 A HA 0.413 4.733 4.320 0.001 0.000 0.255 51 A C 1.331 178.975 177.584 0.100 0.000 1.728 51 A CA -0.150 52.060 52.037 0.289 0.000 1.383 51 A CB -0.046 19.096 19.000 0.237 0.000 1.097 51 A HN 0.225 nan 8.150 nan 0.000 0.634 52 Q N 1.042 120.913 119.800 0.118 0.000 2.282 52 Q HA 0.036 4.376 4.340 0.001 0.000 0.206 52 Q C 0.347 176.255 176.000 -0.153 0.000 0.878 52 Q CA 0.084 55.876 55.803 -0.019 0.000 0.944 52 Q CB -0.065 28.707 28.738 0.056 0.000 1.100 52 Q HN 0.981 nan 8.270 nan 0.000 0.509 53 H N 0.347 119.179 119.070 -0.396 0.000 2.771 53 H HA 0.242 4.799 4.556 0.001 0.000 0.364 53 H C 0.203 175.394 175.328 -0.229 0.000 1.133 53 H CA 0.377 56.113 56.048 -0.520 0.000 1.423 53 H CB 0.210 29.394 29.762 -0.963 0.000 1.425 53 H HN -0.086 nan 8.280 nan 0.000 0.606 54 T N -0.488 114.024 114.554 -0.070 0.000 2.944 54 T HA 0.322 4.672 4.350 0.001 0.000 0.284 54 T C 1.192 175.913 174.700 0.036 0.000 1.010 54 T CA -1.127 60.949 62.100 -0.040 0.000 1.025 54 T CB 1.742 70.638 68.868 0.047 0.000 1.079 54 T HN 0.659 nan 8.240 nan 0.000 0.516 55 R N -0.351 120.153 120.500 0.007 0.000 2.193 55 R HA 0.016 4.356 4.340 0.001 0.000 0.229 55 R C 1.773 178.173 176.300 0.166 0.000 1.110 55 R CA 0.935 57.067 56.100 0.053 0.000 0.988 55 R CB -0.495 29.778 30.300 -0.044 0.000 0.871 55 R HN 0.691 nan 8.270 nan 0.000 0.458 56 F N 2.167 122.138 119.950 0.035 0.000 2.102 56 F HA -0.215 4.312 4.527 0.001 0.000 0.298 56 F C 2.292 178.146 175.800 0.091 0.000 1.105 56 F CA 1.585 59.616 58.000 0.051 0.000 1.239 56 F CB -0.107 38.909 39.000 0.026 0.000 0.991 56 F HN -0.061 nan 8.300 nan 0.000 0.474 57 Q N -1.014 118.900 119.800 0.189 0.000 2.077 57 Q HA -0.326 4.015 4.340 0.001 0.000 0.206 57 Q C 2.178 178.245 176.000 0.112 0.000 0.989 57 Q CA 2.098 57.973 55.803 0.119 0.000 0.853 57 Q CB -0.625 28.206 28.738 0.156 0.000 0.907 57 Q HN 0.609 nan 8.270 nan 0.000 0.418 58 H N 0.197 119.328 119.070 0.100 0.000 2.353 58 H HA -0.108 4.449 4.556 0.001 0.000 0.300 58 H C 2.242 177.669 175.328 0.165 0.000 1.090 58 H CA 1.928 58.073 56.048 0.161 0.000 1.327 58 H CB -0.272 29.589 29.762 0.166 0.000 1.383 58 H HN 0.159 nan 8.280 nan 0.000 0.508 59 S N -0.588 115.081 115.700 -0.051 0.000 2.351 59 S HA -0.143 4.327 4.470 0.001 0.000 0.220 59 S C 2.165 176.707 174.600 -0.098 0.000 1.035 59 S CA 1.494 59.640 58.200 -0.090 0.000 1.031 59 S CB -0.537 62.609 63.200 -0.090 0.000 0.928 59 S HN 0.358 nan 8.310 nan 0.000 0.433 60 L N 1.707 122.813 121.223 -0.194 0.000 2.127 60 L HA 0.080 4.421 4.340 0.001 0.000 0.211 60 L C 2.690 179.660 176.870 0.168 0.000 1.089 60 L CA 1.800 56.608 54.840 -0.053 0.000 0.757 60 L CB -1.296 40.636 42.059 -0.211 0.000 0.899 60 L HN 0.525 nan 8.230 nan 0.000 0.434 61 G N -1.589 107.285 108.800 0.124 0.000 2.394 61 G HA2 -0.151 3.810 3.960 0.001 0.000 0.215 61 G HA3 -0.151 3.810 3.960 0.001 0.000 0.215 61 G C 1.698 176.681 174.900 0.138 0.000 1.165 61 G CA 0.629 45.881 45.100 0.254 0.000 0.784 61 G HN 0.474 nan 8.290 nan 0.000 0.535 62 A N 0.474 123.288 122.820 -0.009 0.000 1.972 62 A HA 0.068 4.388 4.320 0.001 0.000 0.219 62 A C 2.130 179.680 177.584 -0.056 0.000 1.169 62 A CA 1.564 53.545 52.037 -0.094 0.000 0.635 62 A CB -0.509 18.338 19.000 -0.254 0.000 0.810 62 A HN 0.489 nan 8.150 nan 0.000 0.446 63 F N -0.688 119.206 119.950 -0.093 0.000 2.146 63 F HA -0.154 4.374 4.527 0.001 0.000 0.298 63 F C 2.051 177.811 175.800 -0.067 0.000 1.096 63 F CA 1.680 59.637 58.000 -0.072 0.000 1.275 63 F CB -0.585 38.389 39.000 -0.044 0.000 1.008 63 F HN 0.361 nan 8.300 nan 0.000 0.480 64 Y N 1.435 121.528 120.300 -0.345 0.000 2.128 64 Y HA -0.102 4.448 4.550 0.001 0.000 0.284 64 Y C 0.946 176.556 175.900 -0.483 0.000 1.154 64 Y CA 1.283 59.119 58.100 -0.440 0.000 1.149 64 Y CB -0.668 37.675 38.460 -0.194 0.000 0.976 64 Y HN 0.018 nan 8.280 nan 0.000 0.505 68 E N 2.663 122.541 120.200 -0.536 0.000 2.106 68 E HA 0.094 4.445 4.350 0.001 0.000 0.192 68 E C 2.135 178.553 176.600 -0.305 0.000 0.984 68 E CA 1.222 57.363 56.400 -0.432 0.000 0.806 68 E CB -0.350 29.018 29.700 -0.553 0.000 0.750 68 E HN 0.531 nan 8.360 nan 0.000 0.458 69 A N 1.412 124.054 122.820 -0.296 0.000 1.877 69 A HA -0.148 4.172 4.320 0.001 0.000 0.216 69 A C 2.348 179.836 177.584 -0.159 0.000 1.186 69 A CA 1.122 53.033 52.037 -0.210 0.000 0.620 69 A CB -0.699 18.188 19.000 -0.189 0.000 0.822 69 A HN 0.154 nan 8.150 nan 0.000 0.443 70 I N -0.585 119.893 120.570 -0.155 0.000 2.163 70 I HA -0.255 3.915 4.170 0.001 0.000 0.243 70 I C 2.641 178.686 176.117 -0.120 0.000 1.085 70 I CA 1.850 63.087 61.300 -0.105 0.000 1.347 70 I CB -0.632 37.309 38.000 -0.098 0.000 1.044 70 I HN 0.242 nan 8.210 nan 0.000 0.408 71 T N -0.449 114.016 114.554 -0.148 0.000 2.720 71 T HA -0.266 4.084 4.350 0.001 0.000 0.268 71 T C 1.854 176.472 174.700 -0.137 0.000 1.037 71 T CA 1.564 63.581 62.100 -0.138 0.000 1.144 71 T CB -0.188 68.591 68.868 -0.148 0.000 0.864 71 T HN 0.244 nan 8.240 nan 0.000 0.444 72 Q N 0.581 120.292 119.800 -0.149 0.000 2.046 72 Q HA 0.091 4.431 4.340 0.001 0.000 0.200 72 Q C 2.147 178.060 176.000 -0.146 0.000 0.975 72 Q CA 1.357 57.075 55.803 -0.143 0.000 0.836 72 Q CB -0.564 28.083 28.738 -0.153 0.000 0.896 72 Q HN 0.491 nan 8.270 nan 0.000 0.428 73 L N -0.095 121.039 121.223 -0.150 0.000 2.046 73 L HA -0.178 4.162 4.340 0.001 0.000 0.208 73 L C 2.466 179.233 176.870 -0.172 0.000 1.077 73 L CA 1.784 56.521 54.840 -0.171 0.000 0.747 73 L CB -0.970 40.989 42.059 -0.167 0.000 0.896 73 L HN 0.438 nan 8.230 nan 0.000 0.432 74 T N -3.699 110.762 114.554 -0.156 0.000 2.867 74 T HA -0.167 4.184 4.350 0.001 0.000 0.268 74 T C 2.014 176.603 174.700 -0.184 0.000 1.057 74 T CA 1.197 63.184 62.100 -0.189 0.000 1.136 74 T CB -0.462 68.296 68.868 -0.183 0.000 0.874 74 T HN 0.406 nan 8.240 nan 0.000 0.466 75 S N 1.653 117.263 115.700 -0.150 0.000 2.447 75 S HA -0.000 4.470 4.470 0.001 0.000 0.233 75 S C 1.665 176.190 174.600 -0.125 0.000 1.006 75 S CA 0.331 58.454 58.200 -0.129 0.000 0.957 75 S CB -0.511 62.623 63.200 -0.110 0.000 0.773 75 S HN 0.660 nan 8.310 nan 0.000 0.507 76 K N 0.602 120.920 120.400 -0.136 0.000 2.446 76 K HA 0.343 4.663 4.320 0.001 0.000 0.203 76 K C 1.121 177.644 176.600 -0.127 0.000 1.027 76 K CA 0.321 56.534 56.287 -0.124 0.000 1.166 76 K CB 0.099 32.521 32.500 -0.130 0.000 0.869 76 K HN 0.525 nan 8.250 nan 0.000 0.504 77 G N 1.209 109.918 108.800 -0.153 0.000 2.194 77 G HA2 -0.220 3.740 3.960 0.001 0.000 0.236 77 G HA3 -0.220 3.740 3.960 0.001 0.000 0.236 77 G C -0.158 174.620 174.900 -0.204 0.000 0.987 77 G CA -0.558 44.444 45.100 -0.163 0.000 0.635 77 G HN 0.325 nan 8.290 nan 0.000 0.520 78 N N 0.213 118.796 118.700 -0.194 0.000 2.518 78 N HA 0.379 5.119 4.740 0.001 0.000 0.266 78 N C -0.673 174.727 175.510 -0.184 0.000 1.196 78 N CA 0.298 53.265 53.050 -0.138 0.000 0.947 78 N CB 0.470 38.828 38.487 -0.215 0.000 1.098 78 N HN 0.082 nan 8.380 nan 0.000 0.450 79 F N 2.054 121.942 119.950 -0.104 0.000 2.404 79 F HA 0.350 4.877 4.527 0.000 0.000 0.358 79 F C 0.446 176.080 175.800 -0.276 0.000 1.120 79 F CA -0.348 57.489 58.000 -0.272 0.000 1.144 79 F CB 0.581 39.361 39.000 -0.367 0.000 1.133 79 F HN 0.145 nan 8.300 nan 0.000 0.495 80 I N 5.609 126.046 120.570 -0.222 0.000 2.439 80 I HA 0.212 4.382 4.170 0.001 0.000 0.283 80 I C -0.555 175.456 176.117 -0.177 0.000 1.023 80 I CA -0.674 60.554 61.300 -0.121 0.000 1.100 80 I CB 0.855 38.859 38.000 0.006 0.000 1.238 80 I HN 0.247 nan 8.210 nan 0.000 0.445 81 F N 4.156 124.198 119.950 0.153 0.000 2.450 81 F HA 0.155 4.682 4.527 0.000 0.000 0.339 81 F C 1.889 177.729 175.800 0.066 0.000 1.146 81 F CA -0.024 58.048 58.000 0.119 0.000 1.267 81 F CB 0.395 39.471 39.000 0.127 0.000 1.178 81 F HN 0.444 nan 8.300 nan 0.000 0.585 82 D N 0.240 120.800 120.400 0.266 0.000 2.158 82 D HA -0.195 4.445 4.640 0.001 0.000 0.197 82 D C 2.213 178.582 176.300 0.115 0.000 0.995 82 D CA 2.051 56.136 54.000 0.143 0.000 0.846 82 D CB -0.330 40.541 40.800 0.119 0.000 0.941 82 D HN 0.534 nan 8.370 nan 0.000 0.456 83 S N 0.215 115.996 115.700 0.135 0.000 2.428 83 S HA -0.095 4.375 4.470 0.001 0.000 0.230 83 S C 1.778 176.408 174.600 0.050 0.000 1.014 83 S CA 0.614 58.862 58.200 0.081 0.000 0.957 83 S CB -0.144 63.099 63.200 0.070 0.000 0.784 83 S HN 0.268 nan 8.310 nan 0.000 0.499 84 E N 1.585 121.840 120.200 0.091 0.000 2.158 84 E HA 0.136 4.486 4.350 0.001 0.000 0.191 84 E C 2.413 179.008 176.600 -0.010 0.000 0.982 84 E CA 0.733 57.133 56.400 -0.000 0.000 0.823 84 E CB -0.365 29.370 29.700 0.059 0.000 0.766 84 E HN 0.677 nan 8.360 nan 0.000 0.468 85 A N 1.743 124.582 122.820 0.032 0.000 1.851 85 A HA -0.288 4.033 4.320 0.001 0.000 0.216 85 A C 2.109 179.709 177.584 0.026 0.000 1.195 85 A CA 1.728 53.777 52.037 0.020 0.000 0.622 85 A CB -0.581 18.435 19.000 0.026 0.000 0.831 85 A HN 0.229 nan 8.150 nan 0.000 0.444 86 E N -0.360 119.865 120.200 0.041 0.000 2.097 86 E HA -0.205 4.146 4.350 0.001 0.000 0.196 86 E C 2.180 178.801 176.600 0.034 0.000 1.000 86 E CA 1.201 57.632 56.400 0.052 0.000 0.804 86 E CB -0.248 29.480 29.700 0.046 0.000 0.740 86 E HN 0.555 nan 8.360 nan 0.000 0.454 87 A N 0.468 123.286 122.820 -0.002 0.000 1.898 87 A HA -0.129 4.191 4.320 0.001 0.000 0.216 87 A C 2.359 179.935 177.584 -0.013 0.000 1.181 87 A CA 1.375 53.394 52.037 -0.030 0.000 0.620 87 A CB -0.699 18.239 19.000 -0.103 0.000 0.819 87 A HN 0.286 nan 8.150 nan 0.000 0.442 88 V N -0.207 119.696 119.914 -0.018 0.000 2.453 88 V HA -0.254 3.866 4.120 0.001 0.000 0.247 88 V C 2.467 178.587 176.094 0.043 0.000 1.048 88 V CA 2.421 64.720 62.300 -0.002 0.000 1.049 88 V CB -0.559 31.247 31.823 -0.029 0.000 0.672 88 V HN 0.706 nan 8.190 nan 0.000 0.457 89 Q N -0.275 119.572 119.800 0.078 0.000 2.084 89 Q HA -0.153 4.187 4.340 0.001 0.000 0.202 89 Q C 2.342 178.452 176.000 0.185 0.000 0.978 89 Q CA 1.901 57.828 55.803 0.206 0.000 0.844 89 Q CB -0.393 28.535 28.738 0.317 0.000 0.898 89 Q HN 0.728 nan 8.270 nan 0.000 0.426 90 A N 0.861 123.733 122.820 0.085 0.000 1.930 90 A HA -0.065 4.255 4.320 0.001 0.000 0.217 90 A C 2.275 179.870 177.584 0.018 0.000 1.175 90 A CA 1.388 53.437 52.037 0.021 0.000 0.627 90 A CB -0.728 18.269 19.000 -0.005 0.000 0.815 90 A HN 0.393 nan 8.150 nan 0.000 0.443 91 A N -0.470 122.376 122.820 0.043 0.000 1.940 91 A HA -0.104 4.216 4.320 0.001 0.000 0.219 91 A C 2.071 179.728 177.584 0.123 0.000 1.176 91 A CA 1.815 53.897 52.037 0.075 0.000 0.631 91 A CB -0.466 18.621 19.000 0.145 0.000 0.814 91 A HN 0.517 nan 8.150 nan 0.000 0.446 92 I N -0.662 119.972 120.570 0.107 0.000 2.584 92 I HA -0.035 4.135 4.170 0.001 0.000 0.255 92 I C 2.098 178.330 176.117 0.192 0.000 1.145 92 I CA 0.678 62.028 61.300 0.084 0.000 1.462 92 I CB -0.164 37.830 38.000 -0.011 0.000 1.102 92 I HN 0.291 nan 8.210 nan 0.000 0.433 93 L N -0.513 120.785 121.223 0.124 0.000 2.127 93 L HA -0.203 4.137 4.340 0.001 0.000 0.211 93 L C 1.920 178.827 176.870 0.062 0.000 1.089 93 L CA 1.266 56.132 54.840 0.043 0.000 0.757 93 L CB -0.342 41.661 42.059 -0.094 0.000 0.899 93 L HN 0.264 nan 8.230 nan 0.000 0.434 94 L N -1.409 119.852 121.223 0.062 0.000 2.664 94 L HA 0.005 4.346 4.340 0.001 0.000 0.233 94 L C 2.369 179.227 176.870 -0.021 0.000 1.113 94 L CA -0.183 54.643 54.840 -0.023 0.000 0.896 94 L CB -0.369 41.620 42.059 -0.117 0.000 1.163 94 L HN 0.365 nan 8.230 nan 0.000 0.497 95 H N -0.871 118.202 119.070 0.005 0.000 2.457 95 H HA -0.147 4.409 4.556 0.001 0.000 0.297 95 H C 0.374 175.842 175.328 0.234 0.000 1.092 95 H CA 1.368 57.495 56.048 0.131 0.000 1.309 95 H CB -0.011 29.944 29.762 0.321 0.000 1.382 95 H HN 0.225 nan 8.280 nan 0.000 0.535 96 D N 0.170 120.350 120.400 -0.366 0.000 2.440 96 D HA 0.137 4.778 4.640 0.001 0.000 0.216 96 D C 1.905 178.276 176.300 0.118 0.000 1.150 96 D CA -0.208 53.736 54.000 -0.093 0.000 0.832 96 D CB -0.015 40.635 40.800 -0.250 0.000 0.992 96 D HN 0.388 nan 8.370 nan 0.000 0.502 97 I N 0.104 120.699 120.570 0.042 0.000 2.454 97 I HA -0.113 4.057 4.170 0.001 0.000 0.254 97 I C 1.861 178.048 176.117 0.117 0.000 1.156 97 I CA 1.028 62.364 61.300 0.060 0.000 1.433 97 I CB 0.330 38.328 38.000 -0.003 0.000 1.082 97 I HN 0.035 nan 8.210 nan 0.000 0.432 98 G N -0.400 108.467 108.800 0.112 0.000 2.848 98 G HA2 -0.071 3.889 3.960 0.001 0.000 0.208 98 G HA3 -0.071 3.889 3.960 0.001 0.000 0.208 98 G C 0.531 175.538 174.900 0.178 0.000 1.152 98 G CA -0.203 44.969 45.100 0.119 0.000 0.789 98 G HN 0.398 nan 8.290 nan 0.000 0.531 99 H N 0.611 119.773 119.070 0.154 0.000 2.848 99 H HA 0.316 4.872 4.556 0.001 0.000 0.317 99 H C 0.855 176.260 175.328 0.128 0.000 1.046 99 H CA 0.550 56.656 56.048 0.096 0.000 1.470 99 H CB 1.452 31.163 29.762 -0.085 0.000 1.483 99 H HN 0.184 nan 8.280 nan 0.000 0.548 100 G N 3.642 112.597 108.800 0.258 0.000 2.568 100 G HA2 0.269 4.229 3.960 0.001 0.000 0.293 100 G HA3 0.269 4.229 3.960 0.001 0.000 0.293 100 G C -2.495 172.353 174.900 -0.087 0.000 1.347 100 G CA -1.344 43.687 45.100 -0.115 0.000 1.039 100 G HN 0.371 nan 8.290 nan 0.000 0.523 101 P HA 0.152 nan 4.420 nan 0.000 0.271 101 P C -0.470 176.816 177.300 -0.024 0.000 1.218 101 P CA -0.152 62.852 63.100 -0.159 0.000 0.780 101 P CB 0.206 31.866 31.700 -0.067 0.000 0.901 102 F N 0.219 120.121 119.950 -0.080 0.000 2.584 102 F HA -0.256 4.271 4.527 0.001 0.000 0.186 102 F C 1.797 177.569 175.800 -0.046 0.000 1.051 102 F CA 0.953 58.906 58.000 -0.078 0.000 0.832 102 F CB -2.495 36.432 39.000 -0.122 0.000 0.688 102 F HN 0.316 nan 8.300 nan 0.000 0.842 103 S N -1.090 114.665 115.700 0.093 0.000 2.370 103 S HA -0.289 4.181 4.470 0.001 0.000 0.226 103 S C 2.164 176.819 174.600 0.091 0.000 1.033 103 S CA 1.756 60.030 58.200 0.123 0.000 1.011 103 S CB -1.088 62.227 63.200 0.190 0.000 0.852 103 S HN 0.844 nan 8.310 nan 0.000 0.457 104 H N 0.865 119.980 119.070 0.075 0.000 2.357 104 H HA 0.152 4.708 4.556 0.001 0.000 0.301 104 H C 2.574 177.923 175.328 0.036 0.000 1.082 104 H CA 1.663 57.740 56.048 0.049 0.000 1.342 104 H CB -1.083 28.698 29.762 0.032 0.000 1.389 104 H HN 0.386 nan 8.280 nan 0.000 0.511 105 V N 1.016 120.957 119.914 0.045 0.000 2.332 105 V HA -0.239 3.882 4.120 0.001 0.000 0.248 105 V C 2.846 178.938 176.094 -0.002 0.000 1.055 105 V CA 1.838 64.139 62.300 0.002 0.000 1.038 105 V CB -0.687 31.113 31.823 -0.037 0.000 0.651 105 V HN 0.676 nan 8.190 nan 0.000 0.450 106 L N -0.237 121.000 121.223 0.023 0.000 2.042 106 L HA -0.231 4.109 4.340 0.001 0.000 0.210 106 L C 2.577 179.448 176.870 0.001 0.000 1.076 106 L CA 2.100 56.945 54.840 0.009 0.000 0.749 106 L CB -0.661 41.418 42.059 0.034 0.000 0.893 106 L HN 0.423 nan 8.230 nan 0.000 0.432 107 E N 0.073 120.276 120.200 0.005 0.000 2.204 107 E HA -0.241 4.110 4.350 0.001 0.000 0.195 107 E C 1.195 177.791 176.600 -0.006 0.000 0.990 107 E CA 1.137 57.528 56.400 -0.015 0.000 0.821 107 E CB 0.183 29.878 29.700 -0.009 0.000 0.750 107 E HN 0.382 nan 8.360 nan 0.000 0.477 108 D N -1.049 119.351 120.400 -0.001 0.000 2.350 108 D HA -0.014 4.626 4.640 0.001 0.000 0.213 108 D C 1.258 177.556 176.300 -0.003 0.000 1.031 108 D CA 1.097 55.096 54.000 -0.001 0.000 0.861 108 D CB 0.568 41.366 40.800 -0.004 0.000 0.926 108 D HN 0.343 nan 8.370 nan 0.000 0.520 109 T N -2.053 112.499 114.554 -0.003 0.000 3.426 109 T HA 0.106 4.457 4.350 0.001 0.000 0.195 109 T C 1.634 176.344 174.700 0.016 0.000 0.963 109 T CA -0.093 62.006 62.100 -0.001 0.000 1.154 109 T CB -0.432 68.425 68.868 -0.017 0.000 1.377 109 T HN 0.055 nan 8.240 nan 0.000 0.342 110 I N 0.189 120.773 120.570 0.024 0.000 4.018 110 I HA 0.573 4.743 4.170 0.001 0.000 0.337 110 I C -0.351 175.835 176.117 0.115 0.000 1.327 110 I CA -0.425 60.918 61.300 0.072 0.000 1.100 110 I CB 1.019 39.074 38.000 0.091 0.000 1.025 110 I HN 0.112 nan 8.210 nan 0.000 0.396 111 V N 2.072 122.013 119.914 0.045 0.000 2.468 111 V HA 0.308 4.428 4.120 0.001 0.000 0.256 111 V C -0.085 176.000 176.094 -0.014 0.000 0.998 111 V CA -0.401 61.925 62.300 0.042 0.000 1.114 111 V CB 0.122 31.902 31.823 -0.071 0.000 1.378 111 V HN 0.320 nan 8.190 nan 0.000 0.573 112 Q N 1.248 121.069 119.800 0.034 0.000 2.352 112 Q HA 0.463 4.804 4.340 0.001 0.000 0.260 112 Q C 1.344 177.356 176.000 0.020 0.000 0.976 112 Q CA 0.751 56.565 55.803 0.018 0.000 0.881 112 Q CB 1.237 29.996 28.738 0.035 0.000 1.235 112 Q HN 0.906 nan 8.270 nan 0.000 0.419 113 G N 1.017 109.822 108.800 0.009 0.000 2.153 113 G HA2 -0.234 3.726 3.960 0.001 0.000 0.252 113 G HA3 -0.234 3.726 3.960 0.001 0.000 0.252 113 G C -0.228 174.723 174.900 0.084 0.000 0.994 113 G CA 0.136 45.260 45.100 0.040 0.000 0.698 113 G HN 0.421 nan 8.290 nan 0.000 0.521 114 V N 1.229 121.102 119.914 -0.068 0.000 2.483 114 V HA 0.706 4.827 4.120 0.001 0.000 0.297 114 V C 0.565 176.529 176.094 -0.217 0.000 1.027 114 V CA -0.261 61.918 62.300 -0.202 0.000 0.855 114 V CB 1.789 33.185 31.823 -0.712 0.000 0.995 114 V HN 0.878 nan 8.190 nan 0.000 0.424 115 S N 1.809 117.417 115.700 -0.154 0.000 2.616 115 S HA 0.341 4.811 4.470 0.001 0.000 0.277 115 S C 1.104 175.560 174.600 -0.239 0.000 1.234 115 S CA 0.016 58.119 58.200 -0.162 0.000 1.028 115 S CB 0.863 63.969 63.200 -0.157 0.000 0.988 115 S HN 1.011 nan 8.310 nan 0.000 0.522 116 H N 0.505 119.436 119.070 -0.232 0.000 2.422 116 H HA -0.064 4.492 4.556 0.001 0.000 0.298 116 H C 1.388 176.609 175.328 -0.177 0.000 1.098 116 H CA 1.823 57.694 56.048 -0.296 0.000 1.315 116 H CB -0.451 28.940 29.762 -0.618 0.000 1.382 116 H HN 0.772 nan 8.280 nan 0.000 0.523 117 E N 0.914 120.644 120.200 -0.784 0.000 2.058 117 E HA -0.198 4.152 4.350 0.001 0.000 0.194 117 E C 2.132 178.683 176.600 -0.081 0.000 0.997 117 E CA 1.557 57.745 56.400 -0.354 0.000 0.801 117 E CB -0.070 29.435 29.700 -0.326 0.000 0.746 117 E HN 0.745 nan 8.360 nan 0.000 0.450 118 E N 0.544 120.686 120.200 -0.096 0.000 2.077 118 E HA -0.166 4.184 4.350 0.001 0.000 0.193 118 E C 2.156 178.753 176.600 -0.005 0.000 0.989 118 E CA 0.910 57.316 56.400 0.010 0.000 0.800 118 E CB -0.118 29.619 29.700 0.063 0.000 0.746 118 E HN 0.295 nan 8.360 nan 0.000 0.452 119 I N 0.922 121.428 120.570 -0.107 0.000 2.315 119 I HA -0.220 3.951 4.170 0.001 0.000 0.248 119 I C 2.366 178.469 176.117 -0.023 0.000 1.117 119 I CA 0.616 61.858 61.300 -0.096 0.000 1.404 119 I CB -0.145 37.698 38.000 -0.262 0.000 1.071 119 I HN -0.024 nan 8.210 nan 0.000 0.419 120 S N 0.854 116.542 115.700 -0.021 0.000 2.359 120 S HA -0.129 4.341 4.470 0.001 0.000 0.224 120 S C 1.109 175.663 174.600 -0.077 0.000 1.035 120 S CA 0.811 58.989 58.200 -0.036 0.000 1.018 120 S CB -0.394 62.794 63.200 -0.019 0.000 0.876 120 S HN 0.157 nan 8.310 nan 0.000 0.448 129 K N 0.952 121.351 120.400 -0.002 0.000 2.025 129 K HA 0.013 4.333 4.320 0.001 0.000 0.207 129 K C 0.298 176.905 176.600 0.011 0.000 1.049 129 K CA 0.826 57.116 56.287 0.005 0.000 0.933 129 K CB -0.071 32.433 32.500 0.006 0.000 0.714 129 K HN 0.350 nan 8.250 nan 0.000 0.438 133 G N 0.427 109.229 108.800 0.004 0.000 2.179 133 G HA2 -0.347 3.613 3.960 0.001 0.000 0.260 133 G HA3 -0.347 3.613 3.960 0.001 0.000 0.260 133 G C 0.796 175.698 174.900 0.003 0.000 0.977 133 G CA 0.573 45.675 45.100 0.004 0.000 0.641 133 G HN 0.476 nan 8.290 nan 0.000 0.533 134 Q N -0.615 119.185 119.800 0.002 0.000 2.364 134 Q HA 0.157 4.497 4.340 0.001 0.000 0.209 134 Q C 2.242 178.239 176.000 -0.006 0.000 0.977 134 Q CA 0.998 56.802 55.803 0.001 0.000 0.885 134 Q CB -0.071 28.670 28.738 0.004 0.000 0.941 134 Q HN 0.679 nan 8.270 nan 0.000 0.464 135 L N -0.260 120.955 121.223 -0.013 0.000 2.653 135 L HA 0.094 4.434 4.340 0.001 0.000 0.231 135 L C 1.679 178.540 176.870 -0.014 0.000 1.153 135 L CA -0.208 54.619 54.840 -0.022 0.000 0.933 135 L CB 0.202 42.237 42.059 -0.040 0.000 1.175 135 L HN 0.087 nan 8.230 nan 0.000 0.473 136 S N 0.674 116.372 115.700 -0.004 0.000 2.348 136 S HA -0.176 4.295 4.470 0.001 0.000 0.221 136 S C 1.849 176.452 174.600 0.005 0.000 1.033 136 S CA 1.276 59.480 58.200 0.007 0.000 1.010 136 S CB -0.136 63.072 63.200 0.013 0.000 0.891 136 S HN 0.332 nan 8.310 nan 0.000 0.442 137 L N 1.997 123.210 121.223 -0.016 0.000 2.042 137 L HA -0.058 4.283 4.340 0.001 0.000 0.210 137 L C 2.356 179.177 176.870 -0.081 0.000 1.076 137 L CA 1.970 56.770 54.840 -0.066 0.000 0.749 137 L CB -1.150 40.847 42.059 -0.104 0.000 0.893 137 L HN 0.257 nan 8.230 nan 0.000 0.432 138 A N -0.334 122.459 122.820 -0.044 0.000 1.883 138 A HA -0.228 4.092 4.320 0.001 0.000 0.217 138 A C 2.268 179.885 177.584 0.056 0.000 1.186 138 A CA 2.296 54.327 52.037 -0.009 0.000 0.624 138 A CB -0.941 18.052 19.000 -0.012 0.000 0.822 138 A HN 0.508 nan 8.150 nan 0.000 0.444 139 I N -0.743 119.855 120.570 0.046 0.000 2.226 139 I HA -0.297 3.874 4.170 0.001 0.000 0.245 139 I C 2.772 178.985 176.117 0.160 0.000 1.100 139 I CA 1.745 63.108 61.300 0.105 0.000 1.374 139 I CB -0.295 37.739 38.000 0.057 0.000 1.057 139 I HN 0.509 nan 8.210 nan 0.000 0.413 140 Q N 1.078 120.933 119.800 0.092 0.000 2.084 140 Q HA -0.209 4.131 4.340 0.001 0.000 0.202 140 Q C 2.362 178.430 176.000 0.113 0.000 0.978 140 Q CA 1.752 57.614 55.803 0.099 0.000 0.844 140 Q CB -0.017 28.778 28.738 0.095 0.000 0.898 140 Q HN 0.520 nan 8.270 nan 0.000 0.426 141 I N 0.051 120.660 120.570 0.065 0.000 2.252 141 I HA -0.242 3.928 4.170 0.001 0.000 0.245 141 I C 2.121 178.387 176.117 0.248 0.000 1.102 141 I CA 0.800 62.154 61.300 0.091 0.000 1.385 141 I CB -0.328 37.648 38.000 -0.041 0.000 1.064 141 I HN 0.243 nan 8.210 nan 0.000 0.414 142 F N 2.131 122.152 119.950 0.118 0.000 2.120 142 F HA -0.278 4.250 4.527 0.000 0.000 0.300 142 F C 2.304 178.235 175.800 0.219 0.000 1.095 142 F CA 1.846 59.953 58.000 0.178 0.000 1.249 142 F CB -0.251 38.812 39.000 0.105 0.000 0.995 142 F HN -0.129 nan 8.300 nan 0.000 0.480 143 K N -0.296 120.182 120.400 0.131 0.000 2.432 143 K HA -0.114 4.206 4.320 0.001 0.000 0.196 143 K C 0.303 176.786 176.600 -0.194 0.000 1.038 143 K CA 0.895 57.166 56.287 -0.028 0.000 0.986 143 K CB -0.073 32.469 32.500 0.069 0.000 0.782 143 K HN 0.201 nan 8.250 nan 0.000 0.485 144 D N 1.124 121.371 120.400 -0.255 0.000 2.835 144 D HA -0.153 4.488 4.640 0.001 0.000 0.230 144 D C -0.683 175.520 176.300 -0.161 0.000 1.130 144 D CA 0.748 54.481 54.000 -0.446 0.000 0.738 144 D CB -1.215 39.017 40.800 -0.948 0.000 1.090 144 D HN 0.403 nan 8.370 nan 0.000 0.433 145 E N -0.431 119.754 120.200 -0.024 0.000 2.569 145 E HA 0.098 4.448 4.350 0.001 0.000 0.205 145 E C -0.398 176.265 176.600 0.105 0.000 1.006 145 E CA -0.437 55.975 56.400 0.020 0.000 0.985 145 E CB 0.626 30.343 29.700 0.028 0.000 1.060 145 E HN 0.361 nan 8.360 nan 0.000 0.460 146 Y N 0.734 121.010 120.300 -0.039 0.000 2.387 146 Y HA 0.275 4.825 4.550 0.000 0.000 0.336 146 Y C -1.970 173.908 175.900 -0.035 0.000 1.067 146 Y CA -2.759 55.326 58.100 -0.026 0.000 1.114 146 Y CB 1.354 39.801 38.460 -0.020 0.000 1.208 146 Y HN -0.074 nan 8.280 nan 0.000 0.458 147 P HA -0.071 nan 4.420 nan 0.000 0.225 147 P C -0.503 176.641 177.300 -0.261 0.000 1.156 147 P CA 1.035 63.938 63.100 -0.328 0.000 0.787 147 P CB 0.205 31.698 31.700 -0.345 0.000 0.802 148 K N 1.061 121.250 120.400 -0.352 0.000 2.183 148 K HA 0.135 4.456 4.320 0.001 0.000 0.272 148 K C 0.897 177.451 176.600 -0.077 0.000 1.113 148 K CA -0.182 56.037 56.287 -0.114 0.000 0.949 148 K CB 0.024 32.497 32.500 -0.044 0.000 1.365 148 K HN -0.086 nan 8.250 nan 0.000 0.420 149 R N 1.836 122.326 120.500 -0.017 0.000 2.240 149 R HA -0.047 4.294 4.340 0.001 0.000 0.203 149 R C 1.552 177.906 176.300 0.089 0.000 1.011 149 R CA 0.652 56.781 56.100 0.049 0.000 1.007 149 R CB -0.094 30.242 30.300 0.061 0.000 0.911 149 R HN 0.592 nan 8.270 nan 0.000 0.468 150 F N -0.071 119.940 119.950 0.101 0.000 2.365 150 F HA -0.018 4.510 4.527 0.000 0.000 0.300 150 F C 1.517 177.356 175.800 0.065 0.000 1.090 150 F CA 0.703 58.744 58.000 0.068 0.000 1.408 150 F CB -0.620 38.401 39.000 0.036 0.000 1.060 150 F HN -0.154 nan 8.300 nan 0.000 0.534 151 L N 0.247 121.221 121.223 -0.415 0.000 2.017 151 L HA -0.229 4.112 4.340 0.001 0.000 0.208 151 L C 2.808 179.666 176.870 -0.020 0.000 1.073 151 L CA 2.045 56.748 54.840 -0.227 0.000 0.745 151 L CB -1.058 40.819 42.059 -0.304 0.000 0.894 151 L HN 0.307 nan 8.230 nan 0.000 0.432 152 H N -0.139 118.904 119.070 -0.044 0.000 2.387 152 H HA -0.187 4.370 4.556 0.001 0.000 0.299 152 H C 2.272 177.603 175.328 0.006 0.000 1.090 152 H CA 1.689 57.730 56.048 -0.012 0.000 1.332 152 H CB 0.071 29.825 29.762 -0.012 0.000 1.386 152 H HN 0.299 nan 8.280 nan 0.000 0.516 153 Q N -0.220 119.580 119.800 -0.001 0.000 2.226 153 Q HA -0.106 4.234 4.340 0.001 0.000 0.204 153 Q C 2.221 178.184 176.000 -0.062 0.000 0.975 153 Q CA 1.292 57.082 55.803 -0.020 0.000 0.866 153 Q CB 0.054 28.856 28.738 0.107 0.000 0.915 153 Q HN 0.541 nan 8.270 nan 0.000 0.440 154 L N -0.647 120.554 121.223 -0.036 0.000 2.291 154 L HA -0.116 4.224 4.340 0.001 0.000 0.214 154 L C 2.025 178.829 176.870 -0.108 0.000 1.120 154 L CA 0.413 55.223 54.840 -0.050 0.000 0.799 154 L CB -0.044 42.009 42.059 -0.010 0.000 0.925 154 L HN 0.074 nan 8.230 nan 0.000 0.446 155 V N -2.226 117.588 119.914 -0.167 0.000 2.426 155 V HA -0.004 4.116 4.120 0.001 0.000 0.242 155 V C 0.944 176.925 176.094 -0.189 0.000 1.036 155 V CA 0.868 63.069 62.300 -0.165 0.000 1.044 155 V CB 0.382 32.143 31.823 -0.103 0.000 0.688 155 V HN 0.340 nan 8.190 nan 0.000 0.462 156 S N -0.822 114.678 115.700 -0.333 0.000 2.677 156 S HA 0.699 5.169 4.470 0.001 0.000 0.283 156 S C -0.492 174.014 174.600 -0.157 0.000 1.159 156 S CA 0.247 58.319 58.200 -0.212 0.000 1.001 156 S CB 1.123 64.191 63.200 -0.220 0.000 1.032 156 S HN 0.941 nan 8.310 nan 0.000 0.487 157 G N 3.456 112.239 108.800 -0.028 0.000 2.356 157 G HA2 0.198 4.158 3.960 0.001 0.000 0.300 157 G HA3 0.198 4.158 3.960 0.001 0.000 0.300 157 G C -0.327 174.604 174.900 0.052 0.000 1.331 157 G CA -0.447 44.664 45.100 0.018 0.000 0.905 157 G HN 0.532 nan 8.290 nan 0.000 0.587 158 Q N -0.804 119.036 119.800 0.066 0.000 2.248 158 Q HA 0.034 4.374 4.340 0.001 0.000 0.208 158 Q C 1.948 178.056 176.000 0.180 0.000 0.984 158 Q CA 1.561 57.431 55.803 0.111 0.000 0.875 158 Q CB -0.132 28.668 28.738 0.103 0.000 0.910 158 Q HN 0.434 nan 8.270 nan 0.000 0.433 159 L N 0.914 122.187 121.223 0.084 0.000 3.110 159 L HA 0.213 4.554 4.340 0.001 0.000 0.266 159 L C -0.298 176.554 176.870 -0.030 0.000 1.257 159 L CA -0.734 54.110 54.840 0.007 0.000 1.038 159 L CB -0.059 41.966 42.059 -0.057 0.000 1.395 159 L HN 0.173 nan 8.230 nan 0.000 0.566 163 R N 1.584 122.029 120.500 -0.091 0.000 2.115 163 R HA 0.156 4.497 4.340 0.001 0.000 0.226 163 R C 2.063 178.147 176.300 -0.361 0.000 1.100 163 R CA 1.125 56.779 56.100 -0.743 0.000 0.980 163 R CB -0.656 29.418 30.300 -0.376 0.000 0.875 163 R HN 0.291 nan 8.270 nan 0.000 0.445 164 L N 1.160 122.341 121.223 -0.071 0.000 2.201 164 L HA -0.124 4.216 4.340 0.001 0.000 0.212 164 L C 2.036 178.977 176.870 0.118 0.000 1.105 164 L CA 1.648 56.492 54.840 0.007 0.000 0.775 164 L CB -0.444 41.570 42.059 -0.075 0.000 0.913 164 L HN 0.333 nan 8.230 nan 0.000 0.440 165 D N -0.567 119.931 120.400 0.162 0.000 2.110 165 D HA -0.228 4.412 4.640 0.001 0.000 0.202 165 D C 2.161 178.685 176.300 0.373 0.000 0.975 165 D CA 1.178 55.398 54.000 0.367 0.000 0.839 165 D CB -0.065 40.957 40.800 0.371 0.000 0.996 165 D HN 0.365 nan 8.370 nan 0.000 0.464 166 Y N 0.536 121.069 120.300 0.387 0.000 2.242 166 Y HA 0.075 4.626 4.550 0.001 0.000 0.291 166 Y C 1.843 177.893 175.900 0.250 0.000 1.137 166 Y CA 0.682 58.943 58.100 0.269 0.000 1.181 166 Y CB -1.021 37.474 38.460 0.058 0.000 0.989 166 Y HN 0.022 nan 8.280 nan 0.000 0.527 167 L N 0.197 121.538 121.223 0.198 0.000 2.046 167 L HA -0.185 4.155 4.340 0.001 0.000 0.208 167 L C 2.842 179.848 176.870 0.226 0.000 1.077 167 L CA 1.950 56.958 54.840 0.280 0.000 0.747 167 L CB -0.490 41.666 42.059 0.161 0.000 0.896 167 L HN 0.209 nan 8.230 nan 0.000 0.432 168 R N 0.468 121.083 120.500 0.192 0.000 2.066 168 R HA -0.160 4.180 4.340 0.001 0.000 0.232 168 R C 2.392 178.746 176.300 0.089 0.000 1.131 168 R CA 1.560 57.740 56.100 0.133 0.000 0.955 168 R CB -0.341 30.044 30.300 0.142 0.000 0.851 168 R HN 0.135 nan 8.270 nan 0.000 0.432 169 R N -0.075 120.482 120.500 0.095 0.000 2.075 169 R HA -0.086 4.254 4.340 0.001 0.000 0.232 169 R C 1.263 177.575 176.300 0.020 0.000 1.126 169 R CA 1.927 58.045 56.100 0.030 0.000 0.963 169 R CB -0.224 30.102 30.300 0.043 0.000 0.858 169 R HN 0.271 nan 8.270 nan 0.000 0.435 170 D N -0.283 120.185 120.400 0.112 0.000 2.117 170 D HA -0.164 4.476 4.640 0.001 0.000 0.197 170 D C 1.827 178.192 176.300 0.109 0.000 0.987 170 D CA 1.576 55.684 54.000 0.181 0.000 0.829 170 D CB -0.388 40.641 40.800 0.382 0.000 0.961 170 D HN 0.190 nan 8.370 nan 0.000 0.460 171 S N -0.581 115.177 115.700 0.096 0.000 2.368 171 S HA -0.174 4.297 4.470 0.001 0.000 0.225 171 S C 1.913 176.522 174.600 0.015 0.000 1.030 171 S CA 0.641 58.856 58.200 0.025 0.000 0.999 171 S CB -0.503 62.729 63.200 0.052 0.000 0.844 171 S HN 0.233 nan 8.310 nan 0.000 0.459 172 F N 0.726 120.615 119.950 -0.101 0.000 2.102 172 F HA -0.037 4.490 4.527 0.001 0.000 0.298 172 F C 1.859 177.510 175.800 -0.247 0.000 1.105 172 F CA 1.720 59.602 58.000 -0.197 0.000 1.239 172 F CB -0.517 38.319 39.000 -0.273 0.000 0.991 172 F HN 0.277 nan 8.300 nan 0.000 0.474 173 Y N 0.287 120.619 120.300 0.054 0.000 2.286 173 Y HA -0.140 4.410 4.550 0.001 0.000 0.293 173 Y C 2.886 178.783 175.900 -0.005 0.000 1.124 173 Y CA 1.790 59.910 58.100 0.034 0.000 1.178 173 Y CB -1.008 37.492 38.460 0.067 0.000 1.010 173 Y HN 0.170 nan 8.280 nan 0.000 0.536 174 T N -3.735 110.870 114.554 0.085 0.000 2.788 174 T HA 0.028 4.379 4.350 0.001 0.000 0.268 174 T C 1.976 176.617 174.700 -0.099 0.000 1.044 174 T CA 1.217 63.259 62.100 -0.096 0.000 1.139 174 T CB -0.764 67.790 68.868 -0.523 0.000 0.867 174 T HN 0.520 nan 8.240 nan 0.000 0.454 175 G N 0.290 109.006 108.800 -0.140 0.000 2.175 175 G HA2 -0.219 3.741 3.960 0.001 0.000 0.244 175 G HA3 -0.219 3.741 3.960 0.001 0.000 0.244 175 G C 0.220 175.057 174.900 -0.105 0.000 0.982 175 G CA -0.086 44.934 45.100 -0.135 0.000 0.641 175 G HN 0.779 nan 8.290 nan 0.000 0.527 176 V N 3.111 122.935 119.914 -0.150 0.000 2.180 176 V HA 0.209 4.329 4.120 0.001 0.000 0.238 176 V C 2.148 178.202 176.094 -0.068 0.000 1.337 176 V CA 1.327 63.563 62.300 -0.107 0.000 1.338 176 V CB -0.501 31.210 31.823 -0.187 0.000 1.431 176 V HN 0.711 nan 8.190 nan 0.000 0.498 177 T N 0.044 114.567 114.554 -0.052 0.000 2.929 177 T HA -0.192 4.159 4.350 0.001 0.000 0.271 177 T C 1.372 176.068 174.700 -0.006 0.000 1.085 177 T CA 1.183 63.261 62.100 -0.036 0.000 1.125 177 T CB -0.147 68.696 68.868 -0.043 0.000 0.874 177 T HN 0.565 nan 8.240 nan 0.000 0.494 178 E N 1.500 121.699 120.200 -0.001 0.000 2.265 178 E HA 0.095 4.446 4.350 0.001 0.000 0.196 178 E C 2.087 178.703 176.600 0.027 0.000 0.996 178 E CA 0.973 57.383 56.400 0.017 0.000 0.832 178 E CB -0.613 29.101 29.700 0.023 0.000 0.756 178 E HN 0.700 nan 8.360 nan 0.000 0.491 179 G N 0.068 108.878 108.800 0.016 0.000 3.284 179 G HA2 -0.044 3.917 3.960 0.001 0.000 0.236 179 G HA3 -0.044 3.917 3.960 0.001 0.000 0.236 179 G C 0.221 175.159 174.900 0.063 0.000 1.158 179 G CA -0.494 44.626 45.100 0.034 0.000 0.774 179 G HN 0.079 nan 8.290 nan 0.000 0.545 180 N N 1.022 119.757 118.700 0.057 0.000 2.479 180 N HA 0.344 5.084 4.740 0.001 0.000 0.257 180 N C 0.087 175.662 175.510 0.108 0.000 1.232 180 N CA -0.042 53.056 53.050 0.079 0.000 0.920 180 N CB 0.482 39.005 38.487 0.059 0.000 1.105 180 N HN 0.347 nan 8.380 nan 0.000 0.444 181 I N -2.024 118.625 120.570 0.133 0.000 2.934 181 I HA 0.609 4.779 4.170 0.001 0.000 0.306 181 I C 0.356 176.549 176.117 0.127 0.000 1.110 181 I CA -1.382 60.013 61.300 0.159 0.000 1.019 181 I CB 2.265 40.417 38.000 0.253 0.000 1.227 181 I HN 0.466 nan 8.210 nan 0.000 0.434 182 G N 2.240 111.099 108.800 0.098 0.000 3.506 182 G HA2 0.277 4.237 3.960 0.001 0.000 0.268 182 G HA3 0.277 4.237 3.960 0.001 0.000 0.268 182 G C 0.571 175.496 174.900 0.041 0.000 0.959 182 G CA -0.245 44.898 45.100 0.072 0.000 1.823 182 G HN 0.700 nan 8.290 nan 0.000 0.615 183 S N 1.565 117.321 115.700 0.094 0.000 2.359 183 S HA -0.247 4.224 4.470 0.001 0.000 0.223 183 S C 2.847 177.423 174.600 -0.041 0.000 1.039 183 S CA 1.613 59.836 58.200 0.039 0.000 1.042 183 S CB -0.200 63.113 63.200 0.190 0.000 0.915 183 S HN 0.725 nan 8.310 nan 0.000 0.439 184 A N 1.612 124.440 122.820 0.013 0.000 1.908 184 A HA -0.157 4.164 4.320 0.001 0.000 0.218 184 A C 2.168 179.713 177.584 -0.065 0.000 1.181 184 A CA 1.534 53.543 52.037 -0.046 0.000 0.627 184 A CB -0.519 18.497 19.000 0.027 0.000 0.818 184 A HN 0.421 nan 8.150 nan 0.000 0.445 185 R N -0.770 119.709 120.500 -0.035 0.000 2.081 185 R HA -0.044 4.297 4.340 0.001 0.000 0.235 185 R C 2.014 178.260 176.300 -0.090 0.000 1.131 185 R CA 1.545 57.616 56.100 -0.048 0.000 0.960 185 R CB -0.462 29.827 30.300 -0.018 0.000 0.856 185 R HN 0.602 nan 8.270 nan 0.000 0.436 186 I N 0.560 121.058 120.570 -0.120 0.000 2.226 186 I HA -0.294 3.877 4.170 0.001 0.000 0.245 186 I C 2.244 178.253 176.117 -0.180 0.000 1.100 186 I CA 1.365 62.555 61.300 -0.182 0.000 1.374 186 I CB -0.215 37.606 38.000 -0.298 0.000 1.057 186 I HN 0.141 nan 8.210 nan 0.000 0.413 187 I N 0.282 120.745 120.570 -0.177 0.000 2.286 187 I HA -0.223 3.947 4.170 0.001 0.000 0.248 187 I C 1.514 177.535 176.117 -0.159 0.000 1.115 187 I CA 1.038 62.229 61.300 -0.182 0.000 1.392 187 I CB -0.255 37.619 38.000 -0.210 0.000 1.065 187 I HN 0.172 nan 8.210 nan 0.000 0.418 191 D N 1.096 121.398 120.400 -0.163 0.000 2.759 191 D HA 0.717 5.357 4.640 0.001 0.000 0.321 191 D C -1.720 174.445 176.300 -0.226 0.000 1.267 191 D CA -0.050 53.835 54.000 -0.192 0.000 0.933 191 D CB 2.729 43.434 40.800 -0.157 0.000 1.431 191 D HN 0.290 nan 8.370 nan 0.000 0.504 192 V N 0.437 120.185 119.914 -0.276 0.000 2.495 192 V HA 0.858 4.978 4.120 0.001 0.000 0.298 192 V C -0.336 175.661 176.094 -0.162 0.000 1.031 192 V CA -0.637 61.485 62.300 -0.297 0.000 0.871 192 V CB 1.188 32.647 31.823 -0.608 0.000 0.988 192 V HN 0.692 nan 8.190 nan 0.000 0.432 193 A N 2.714 125.480 122.820 -0.091 0.000 2.381 193 A HA 0.738 5.058 4.320 0.001 0.000 0.299 193 A C -0.435 177.146 177.584 -0.006 0.000 1.049 193 A CA -0.507 51.505 52.037 -0.042 0.000 0.715 193 A CB 0.874 19.857 19.000 -0.028 0.000 1.222 193 A HN 0.903 nan 8.150 nan 0.000 0.428 194 D N 1.711 122.118 120.400 0.011 0.000 2.699 194 D HA -0.170 4.471 4.640 0.001 0.000 0.239 194 D C 0.154 176.490 176.300 0.061 0.000 1.136 194 D CA 2.146 56.166 54.000 0.033 0.000 0.668 194 D CB -1.062 39.755 40.800 0.028 0.000 1.060 194 D HN 0.939 nan 8.370 nan 0.000 0.429 195 D N -0.890 119.565 120.400 0.092 0.000 2.811 195 D HA -0.266 4.374 4.640 0.001 0.000 0.231 195 D C -0.179 176.240 176.300 0.198 0.000 1.157 195 D CA 1.604 55.721 54.000 0.194 0.000 0.716 195 D CB -0.003 40.894 40.800 0.160 0.000 1.077 195 D HN 0.676 nan 8.370 nan 0.000 0.428 196 R N 0.037 120.609 120.500 0.121 0.000 2.740 196 R HA 0.482 4.822 4.340 0.001 0.000 0.273 196 R C -0.992 175.332 176.300 0.040 0.000 0.998 196 R CA -0.855 55.311 56.100 0.109 0.000 0.900 196 R CB 0.469 30.815 30.300 0.077 0.000 1.223 196 R HN 0.120 nan 8.270 nan 0.000 0.466 197 L N 2.603 123.855 121.223 0.049 0.000 2.416 197 L HA 0.346 4.687 4.340 0.001 0.000 0.272 197 L C 0.455 177.307 176.870 -0.030 0.000 1.161 197 L CA -0.506 54.324 54.840 -0.016 0.000 0.845 197 L CB 1.138 43.199 42.059 0.004 0.000 1.119 197 L HN 0.560 nan 8.230 nan 0.000 0.464 198 V N 1.483 121.356 119.914 -0.068 0.000 3.040 198 V HA 0.587 4.707 4.120 0.001 0.000 0.312 198 V C -0.665 175.372 176.094 -0.095 0.000 1.115 198 V CA -0.868 61.393 62.300 -0.065 0.000 0.998 198 V CB 2.623 34.409 31.823 -0.062 0.000 1.042 198 V HN 0.436 nan 8.190 nan 0.000 0.433 199 I N 1.634 122.145 120.570 -0.098 0.000 2.378 199 I HA 0.471 4.641 4.170 0.001 0.000 0.291 199 I C 0.437 176.454 176.117 -0.168 0.000 0.992 199 I CA -0.265 60.958 61.300 -0.128 0.000 1.154 199 I CB 1.598 39.529 38.000 -0.116 0.000 1.315 199 I HN 0.896 nan 8.210 nan 0.000 0.448 200 E N 2.917 123.012 120.200 -0.175 0.000 2.452 200 E HA -0.034 4.317 4.350 0.001 0.000 0.261 200 E C 1.179 177.612 176.600 -0.278 0.000 0.987 200 E CA 0.092 56.365 56.400 -0.211 0.000 0.926 200 E CB 0.714 30.312 29.700 -0.169 0.000 0.934 200 E HN 0.677 nan 8.360 nan 0.000 0.452 201 S N 2.861 118.310 115.700 -0.417 0.000 2.440 201 S HA -0.255 4.215 4.470 0.001 0.000 0.240 201 S C 1.698 176.087 174.600 -0.350 0.000 1.014 201 S CA 1.206 59.085 58.200 -0.535 0.000 0.980 201 S CB -0.025 62.659 63.200 -0.860 0.000 0.775 201 S HN 0.399 nan 8.310 nan 0.000 0.499 202 K N 1.739 121.977 120.400 -0.270 0.000 2.362 202 K HA 0.121 4.442 4.320 0.001 0.000 0.200 202 K C 1.642 178.091 176.600 -0.252 0.000 1.046 202 K CA 0.906 57.046 56.287 -0.245 0.000 0.952 202 K CB -0.743 31.659 32.500 -0.163 0.000 0.753 202 K HN 0.496 nan 8.250 nan 0.000 0.466 203 G N -0.337 108.334 108.800 -0.215 0.000 3.233 203 G HA2 0.044 4.004 3.960 0.001 0.000 0.227 203 G HA3 0.044 4.004 3.960 0.001 0.000 0.227 203 G C 0.975 175.794 174.900 -0.134 0.000 1.175 203 G CA -0.208 44.796 45.100 -0.159 0.000 0.781 203 G HN 0.204 nan 8.290 nan 0.000 0.542 204 I N -0.070 120.379 120.570 -0.202 0.000 2.208 204 I HA -0.228 3.942 4.170 0.001 0.000 0.245 204 I C 2.205 178.376 176.117 0.091 0.000 1.097 204 I CA 0.956 62.203 61.300 -0.087 0.000 1.363 204 I CB -0.211 37.714 38.000 -0.125 0.000 1.051 204 I HN 0.129 nan 8.210 nan 0.000 0.413 205 Y N 0.728 121.034 120.300 0.010 0.000 2.181 205 Y HA -0.203 4.348 4.550 0.001 0.000 0.288 205 Y C 2.948 178.870 175.900 0.037 0.000 1.146 205 Y CA 0.829 58.944 58.100 0.025 0.000 1.164 205 Y CB -1.434 37.036 38.460 0.018 0.000 0.982 205 Y HN 0.110 nan 8.280 nan 0.000 0.515 206 S N -0.101 115.701 115.700 0.170 0.000 2.382 206 S HA -0.123 4.347 4.470 0.001 0.000 0.228 206 S C 1.969 176.647 174.600 0.130 0.000 1.027 206 S CA 1.171 59.436 58.200 0.108 0.000 0.991 206 S CB -0.292 62.925 63.200 0.029 0.000 0.823 206 S HN 0.251 nan 8.310 nan 0.000 0.469 207 I N 1.776 122.416 120.570 0.116 0.000 2.439 207 I HA -0.049 4.122 4.170 0.001 0.000 0.251 207 I C 2.249 178.510 176.117 0.240 0.000 1.139 207 I CA 0.995 62.406 61.300 0.184 0.000 1.438 207 I CB -1.362 36.707 38.000 0.115 0.000 1.085 207 I HN 0.366 nan 8.210 nan 0.000 0.427 208 E N 0.845 121.158 120.200 0.188 0.000 2.051 208 E HA -0.270 4.080 4.350 0.001 0.000 0.192 208 E C 1.907 178.598 176.600 0.151 0.000 0.991 208 E CA 1.608 58.106 56.400 0.163 0.000 0.799 208 E CB -0.214 29.581 29.700 0.157 0.000 0.748 208 E HN 0.439 nan 8.360 nan 0.000 0.449 209 N N 0.352 119.148 118.700 0.160 0.000 2.120 209 N HA -0.200 4.541 4.740 0.001 0.000 0.188 209 N C 1.617 177.240 175.510 0.188 0.000 1.024 209 N CA 0.887 54.023 53.050 0.145 0.000 0.852 209 N CB -0.228 38.339 38.487 0.133 0.000 1.003 209 N HN 0.073 nan 8.380 nan 0.000 0.424 210 F N 1.000 120.984 119.950 0.056 0.000 2.091 210 F HA -0.098 4.429 4.527 0.001 0.000 0.299 210 F C 1.739 177.573 175.800 0.056 0.000 1.103 210 F CA 1.412 59.441 58.000 0.049 0.000 1.228 210 F CB -0.437 38.584 39.000 0.035 0.000 0.984 210 F HN 0.100 nan 8.300 nan 0.000 0.477 211 L N -0.383 120.823 121.223 -0.028 0.000 2.156 211 L HA -0.139 4.201 4.340 0.001 0.000 0.208 211 L C 2.538 179.375 176.870 -0.055 0.000 1.095 211 L CA 1.569 56.327 54.840 -0.137 0.000 0.770 211 L CB -1.113 40.953 42.059 0.012 0.000 0.914 211 L HN 0.332 nan 8.230 nan 0.000 0.439 212 T N -2.921 111.644 114.554 0.019 0.000 2.896 212 T HA -0.009 4.342 4.350 0.001 0.000 0.263 212 T C 1.992 176.714 174.700 0.038 0.000 1.050 212 T CA 0.739 62.864 62.100 0.042 0.000 1.140 212 T CB -0.229 68.675 68.868 0.060 0.000 0.877 212 T HN 0.237 nan 8.240 nan 0.000 0.457 213 A N 2.004 124.844 122.820 0.035 0.000 1.902 213 A HA -0.036 4.285 4.320 0.001 0.000 0.217 213 A C 2.530 180.130 177.584 0.026 0.000 1.181 213 A CA 1.706 53.770 52.037 0.045 0.000 0.623 213 A CB -0.851 18.196 19.000 0.079 0.000 0.818 213 A HN 0.539 nan 8.150 nan 0.000 0.443 214 R N -0.439 120.032 120.500 -0.047 0.000 2.091 214 R HA -0.148 4.193 4.340 0.001 0.000 0.238 214 R C 2.358 178.686 176.300 0.046 0.000 1.136 214 R CA 1.779 57.862 56.100 -0.029 0.000 0.959 214 R CB -0.194 29.986 30.300 -0.200 0.000 0.856 214 R HN 0.552 nan 8.270 nan 0.000 0.437 215 R N -0.015 120.503 120.500 0.030 0.000 2.090 215 R HA -0.015 4.326 4.340 0.001 0.000 0.228 215 R C 1.303 177.711 176.300 0.180 0.000 1.110 215 R CA 0.361 56.510 56.100 0.081 0.000 0.973 215 R CB -0.387 29.973 30.300 0.100 0.000 0.869 215 R HN 0.140 nan 8.270 nan 0.000 0.440 219 W N 1.193 122.598 121.300 0.174 0.000 2.481 219 W HA 0.053 4.714 4.660 0.001 0.000 0.293 219 W C 2.290 178.825 176.519 0.027 0.000 1.201 219 W CA 1.314 58.718 57.345 0.099 0.000 1.328 219 W CB -0.183 29.367 29.460 0.151 0.000 1.112 219 W HN 0.151 nan 8.180 nan 0.000 0.546 220 Q N 0.484 120.416 119.800 0.220 0.000 2.123 220 Q HA -0.104 4.236 4.340 0.001 0.000 0.199 220 Q C 1.604 177.759 176.000 0.258 0.000 0.966 220 Q CA 1.948 57.870 55.803 0.199 0.000 0.845 220 Q CB -0.214 28.604 28.738 0.134 0.000 0.907 220 Q HN 0.171 nan 8.270 nan 0.000 0.439 221 V N -1.424 118.498 119.914 0.014 0.000 2.870 221 V HA -0.030 4.091 4.120 0.001 0.000 0.232 221 V C 1.533 177.642 176.094 0.025 0.000 1.161 221 V CA 0.647 62.940 62.300 -0.012 0.000 1.204 221 V CB -0.703 30.866 31.823 -0.424 0.000 1.003 221 V HN 0.145 nan 8.190 nan 0.000 0.499 222 Y N 0.012 120.295 120.300 -0.028 0.000 2.242 222 Y HA 0.068 4.619 4.550 0.001 0.000 0.291 222 Y C 1.770 177.551 175.900 -0.199 0.000 1.137 222 Y CA 0.439 58.450 58.100 -0.149 0.000 1.181 222 Y CB -0.159 38.139 38.460 -0.271 0.000 0.989 222 Y HN 0.085 nan 8.280 nan 0.000 0.527 223 L N 0.169 121.315 121.223 -0.128 0.000 3.017 223 L HA 0.097 4.438 4.340 0.001 0.000 0.255 223 L C 0.266 177.230 176.870 0.157 0.000 1.247 223 L CA 0.007 54.807 54.840 -0.068 0.000 1.038 223 L CB -1.324 40.585 42.059 -0.251 0.000 1.380 223 L HN 0.272 nan 8.230 nan 0.000 0.548 224 H N 2.393 121.521 119.070 0.097 0.000 3.034 224 H HA -0.063 4.493 4.556 0.001 0.000 0.324 224 H C 1.126 176.501 175.328 0.079 0.000 1.015 224 H CA 0.812 56.936 56.048 0.126 0.000 1.429 224 H CB 1.167 31.000 29.762 0.118 0.000 1.429 224 H HN 0.353 nan 8.280 nan 0.000 0.585 225 K N 2.394 122.898 120.400 0.174 0.000 2.097 225 K HA -0.105 4.215 4.320 0.001 0.000 0.206 225 K C 1.596 178.321 176.600 0.208 0.000 1.049 225 K CA 1.583 57.981 56.287 0.184 0.000 0.933 225 K CB -0.162 32.469 32.500 0.218 0.000 0.717 225 K HN 0.369 nan 8.250 nan 0.000 0.442 226 T N 1.310 116.086 114.554 0.369 0.000 2.720 226 T HA -0.114 4.237 4.350 0.001 0.000 0.268 226 T C 2.077 176.813 174.700 0.061 0.000 1.037 226 T CA 1.801 63.981 62.100 0.132 0.000 1.144 226 T CB -0.273 68.583 68.868 -0.021 0.000 0.864 226 T HN 0.309 nan 8.240 nan 0.000 0.444 227 S N 0.581 116.331 115.700 0.084 0.000 2.402 227 S HA -0.045 4.425 4.470 0.001 0.000 0.229 227 S C 2.297 176.943 174.600 0.076 0.000 1.021 227 S CA 0.538 58.787 58.200 0.082 0.000 0.974 227 S CB -0.376 62.888 63.200 0.106 0.000 0.800 227 S HN 0.273 nan 8.310 nan 0.000 0.484 228 V N 1.927 121.850 119.914 0.015 0.000 2.343 228 V HA -0.198 3.922 4.120 0.001 0.000 0.247 228 V C 2.625 178.694 176.094 -0.042 0.000 1.051 228 V CA 1.747 63.984 62.300 -0.105 0.000 1.036 228 V CB -1.138 30.444 31.823 -0.402 0.000 0.654 228 V HN 0.534 nan 8.190 nan 0.000 0.451 229 A N -1.121 121.715 122.820 0.025 0.000 1.877 229 A HA -0.255 4.066 4.320 0.001 0.000 0.216 229 A C 2.177 179.776 177.584 0.024 0.000 1.186 229 A CA 1.905 53.993 52.037 0.085 0.000 0.620 229 A CB -0.824 18.257 19.000 0.136 0.000 0.822 229 A HN 0.543 nan 8.150 nan 0.000 0.443 230 Y N 0.528 120.756 120.300 -0.119 0.000 2.114 230 Y HA -0.240 4.310 4.550 0.001 0.000 0.282 230 Y C 2.429 178.212 175.900 -0.196 0.000 1.165 230 Y CA 1.946 59.943 58.100 -0.172 0.000 1.148 230 Y CB -0.468 37.939 38.460 -0.088 0.000 0.972 230 Y HN 0.586 nan 8.280 nan 0.000 0.504 231 E N -0.113 120.069 120.200 -0.030 0.000 2.110 231 E HA -0.179 4.171 4.350 0.001 0.000 0.193 231 E C 0.875 177.384 176.600 -0.152 0.000 0.988 231 E CA 0.352 56.683 56.400 -0.115 0.000 0.804 231 E CB 0.089 29.765 29.700 -0.039 0.000 0.745 231 E HN 0.119 nan 8.360 nan 0.000 0.458 235 I N -0.151 120.293 120.570 -0.211 0.000 2.226 235 I HA -0.230 3.940 4.170 0.001 0.000 0.245 235 I C 2.181 178.262 176.117 -0.062 0.000 1.100 235 I CA 1.657 62.889 61.300 -0.113 0.000 1.374 235 I CB -0.261 37.700 38.000 -0.065 0.000 1.057 235 I HN 0.240 nan 8.210 nan 0.000 0.413 236 S N 0.146 115.816 115.700 -0.050 0.000 2.356 236 S HA -0.180 4.291 4.470 0.001 0.000 0.223 236 S C 2.069 176.626 174.600 -0.071 0.000 1.032 236 S CA 2.051 60.279 58.200 0.047 0.000 1.005 236 S CB -0.315 62.907 63.200 0.036 0.000 0.867 236 S HN 0.465 nan 8.310 nan 0.000 0.449 237 T N 2.707 117.161 114.554 -0.167 0.000 2.746 237 T HA -0.004 4.346 4.350 0.001 0.000 0.267 237 T C 1.749 176.370 174.700 -0.131 0.000 1.039 237 T CA 1.045 63.038 62.100 -0.178 0.000 1.142 237 T CB -0.394 68.392 68.868 -0.136 0.000 0.866 237 T HN 0.242 nan 8.240 nan 0.000 0.444 238 L N 0.111 121.283 121.223 -0.085 0.000 2.093 238 L HA 0.033 4.373 4.340 0.001 0.000 0.208 238 L C 2.458 179.284 176.870 -0.073 0.000 1.085 238 L CA 0.820 55.636 54.840 -0.040 0.000 0.755 238 L CB -0.459 41.575 42.059 -0.041 0.000 0.904 238 L HN 0.247 nan 8.230 nan 0.000 0.435 239 L N -0.658 120.542 121.223 -0.038 0.000 2.027 239 L HA -0.203 4.137 4.340 0.001 0.000 0.206 239 L C 2.840 179.700 176.870 -0.016 0.000 1.074 239 L CA 0.865 55.720 54.840 0.026 0.000 0.745 239 L CB -0.384 41.755 42.059 0.133 0.000 0.898 239 L HN 0.218 nan 8.230 nan 0.000 0.433 240 R N 0.847 121.258 120.500 -0.148 0.000 2.083 240 R HA -0.171 4.170 4.340 0.001 0.000 0.237 240 R C 2.128 178.182 176.300 -0.410 0.000 1.137 240 R CA 1.950 57.776 56.100 -0.457 0.000 0.951 240 R CB -0.854 28.934 30.300 -0.853 0.000 0.851 240 R HN 0.336 nan 8.270 nan 0.000 0.434 241 A N 0.378 122.922 122.820 -0.459 0.000 1.972 241 A HA -0.169 4.151 4.320 0.001 0.000 0.219 241 A C 2.159 179.485 177.584 -0.430 0.000 1.169 241 A CA 1.755 53.427 52.037 -0.608 0.000 0.635 241 A CB -0.525 17.975 19.000 -0.834 0.000 0.810 241 A HN 0.430 nan 8.150 nan 0.000 0.446 242 K N -0.293 119.942 120.400 -0.276 0.000 2.103 242 K HA -0.153 4.167 4.320 0.001 0.000 0.204 242 K C 2.027 178.492 176.600 -0.224 0.000 1.052 242 K CA 1.369 57.511 56.287 -0.241 0.000 0.945 242 K CB -0.108 32.314 32.500 -0.130 0.000 0.722 242 K HN 0.653 nan 8.250 nan 0.000 0.443 243 E N 0.823 120.923 120.200 -0.166 0.000 2.023 243 E HA -0.217 4.133 4.350 0.001 0.000 0.196 243 E C 1.986 178.489 176.600 -0.161 0.000 1.003 243 E CA 1.449 57.782 56.400 -0.112 0.000 0.809 243 E CB -0.152 29.530 29.700 -0.030 0.000 0.755 243 E HN 0.266 nan 8.360 nan 0.000 0.449 244 L N 0.522 121.608 121.223 -0.228 0.000 2.042 244 L HA -0.210 4.130 4.340 0.001 0.000 0.210 244 L C 2.773 179.508 176.870 -0.224 0.000 1.076 244 L CA 1.167 55.875 54.840 -0.221 0.000 0.749 244 L CB -0.673 41.200 42.059 -0.309 0.000 0.893 244 L HN 0.299 nan 8.230 nan 0.000 0.432 245 A N 0.350 122.946 122.820 -0.373 0.000 1.940 245 A HA -0.247 4.073 4.320 0.001 0.000 0.219 245 A C 2.530 179.922 177.584 -0.320 0.000 1.176 245 A CA 2.237 53.933 52.037 -0.568 0.000 0.631 245 A CB -0.713 17.587 19.000 -1.167 0.000 0.814 245 A HN 0.564 nan 8.150 nan 0.000 0.446 246 S N -0.499 115.061 115.700 -0.233 0.000 2.406 246 S HA -0.174 4.297 4.470 0.001 0.000 0.228 246 S C 1.624 176.189 174.600 -0.058 0.000 1.020 246 S CA 1.163 59.290 58.200 -0.121 0.000 0.965 246 S CB -0.512 62.627 63.200 -0.101 0.000 0.798 246 S HN 0.690 nan 8.310 nan 0.000 0.488 247 Q N 0.889 120.652 119.800 -0.061 0.000 2.466 247 Q HA 0.269 4.609 4.340 0.001 0.000 0.210 247 Q C 1.294 177.298 176.000 0.005 0.000 0.961 247 Q CA 0.245 56.034 55.803 -0.024 0.000 0.953 247 Q CB -0.328 28.393 28.738 -0.029 0.000 1.011 247 Q HN 0.815 nan 8.270 nan 0.000 0.516 248 G N 0.449 109.265 108.800 0.028 0.000 2.168 248 G HA2 -0.284 3.676 3.960 0.001 0.000 0.263 248 G HA3 -0.284 3.676 3.960 0.001 0.000 0.263 248 G C 0.347 175.319 174.900 0.120 0.000 0.977 248 G CA 0.138 45.297 45.100 0.099 0.000 0.659 248 G HN 0.268 nan 8.290 nan 0.000 0.533 249 V N 0.499 120.458 119.914 0.075 0.000 2.843 249 V HA 0.350 4.470 4.120 0.001 0.000 0.305 249 V C 0.862 177.072 176.094 0.192 0.000 1.065 249 V CA 0.188 62.547 62.300 0.099 0.000 1.116 249 V CB 1.439 33.292 31.823 0.050 0.000 0.968 249 V HN 0.355 nan 8.190 nan 0.000 0.487 250 E N 4.449 124.777 120.200 0.214 0.000 2.167 250 E HA 0.527 4.878 4.350 0.001 0.000 0.284 250 E C -0.470 176.328 176.600 0.330 0.000 1.016 250 E CA -0.366 56.195 56.400 0.267 0.000 0.817 250 E CB 1.347 31.154 29.700 0.179 0.000 1.080 250 E HN 0.512 nan 8.360 nan 0.000 0.397 251 L N 2.774 124.221 121.223 0.374 0.000 2.362 251 L HA 0.545 4.886 4.340 0.001 0.000 0.275 251 L C 0.120 177.338 176.870 0.581 0.000 0.998 251 L CA -1.077 53.992 54.840 0.382 0.000 0.820 251 L CB 1.447 43.556 42.059 0.084 0.000 1.270 251 L HN 0.601 nan 8.230 nan 0.000 0.415 252 F N 3.236 123.526 119.950 0.567 0.000 2.608 252 F HA 0.379 4.907 4.527 0.001 0.000 0.380 252 F C 0.315 176.388 175.800 0.456 0.000 1.083 252 F CA 0.152 58.411 58.000 0.432 0.000 1.266 252 F CB 0.433 39.619 39.000 0.310 0.000 1.076 252 F HN 0.555 nan 8.300 nan 0.000 0.574 253 A N 4.224 126.853 122.820 -0.318 0.000 2.565 253 A HA 0.494 4.814 4.320 0.001 0.000 0.298 253 A C -0.510 176.916 177.584 -0.265 0.000 1.062 253 A CA -0.344 51.651 52.037 -0.070 0.000 0.723 253 A CB 0.438 19.639 19.000 0.334 0.000 1.282 253 A HN 1.062 nan 8.150 nan 0.000 0.400 254 S N 2.351 117.971 115.700 -0.133 0.000 2.573 254 S HA 0.359 4.830 4.470 0.001 0.000 0.277 254 S C -1.608 173.002 174.600 0.017 0.000 1.346 254 S CA -0.106 58.047 58.200 -0.077 0.000 1.034 254 S CB 0.357 63.562 63.200 0.008 0.000 0.879 254 S HN 0.406 nan 8.310 nan 0.000 0.528 255 P HA -0.160 nan 4.420 nan 0.000 0.216 255 P C 1.662 179.042 177.300 0.133 0.000 1.157 255 P CA 2.228 65.340 63.100 0.019 0.000 0.880 255 P CB -0.281 31.399 31.700 -0.032 0.000 0.791 256 A N -1.085 121.807 122.820 0.120 0.000 1.902 256 A HA -0.180 4.140 4.320 0.001 0.000 0.217 256 A C 2.140 179.954 177.584 0.384 0.000 1.181 256 A CA 1.577 53.731 52.037 0.194 0.000 0.623 256 A CB -1.578 17.509 19.000 0.144 0.000 0.818 256 A HN 0.181 nan 8.150 nan 0.000 0.443 257 L N -1.090 120.323 121.223 0.318 0.000 2.072 257 L HA -0.105 4.235 4.340 0.001 0.000 0.205 257 L C 2.323 179.449 176.870 0.426 0.000 1.079 257 L CA 2.454 57.522 54.840 0.379 0.000 0.752 257 L CB -0.883 41.313 42.059 0.229 0.000 0.906 257 L HN 0.606 nan 8.230 nan 0.000 0.436 258 H N -0.876 118.357 119.070 0.272 0.000 2.353 258 H HA -0.301 4.255 4.556 0.001 0.000 0.298 258 H C 2.093 177.596 175.328 0.293 0.000 1.103 258 H CA 2.410 58.641 56.048 0.305 0.000 1.293 258 H CB -0.410 29.429 29.762 0.129 0.000 1.372 258 H HN 0.497 nan 8.280 nan 0.000 0.501 259 F N 0.347 120.400 119.950 0.172 0.000 2.202 259 F HA -0.224 4.303 4.527 0.001 0.000 0.301 259 F C 1.551 177.206 175.800 -0.241 0.000 1.082 259 F CA 1.431 59.372 58.000 -0.099 0.000 1.313 259 F CB -0.449 38.342 39.000 -0.349 0.000 1.024 259 F HN 0.047 nan 8.300 nan 0.000 0.495 260 F N -0.768 119.296 119.950 0.190 0.000 2.656 260 F HA 0.144 4.672 4.527 0.001 0.000 0.291 260 F C 1.815 177.599 175.800 -0.026 0.000 1.122 260 F CA 0.359 58.410 58.000 0.085 0.000 1.427 260 F CB -0.417 38.717 39.000 0.223 0.000 1.125 260 F HN -0.151 nan 8.300 nan 0.000 0.583 261 L N -1.705 119.582 121.223 0.107 0.000 2.270 261 L HA -0.101 4.239 4.340 0.001 0.000 0.210 261 L C 1.106 177.722 176.870 -0.423 0.000 1.104 261 L CA 1.166 55.922 54.840 -0.140 0.000 0.804 261 L CB -0.320 41.645 42.059 -0.157 0.000 0.937 261 L HN 0.150 nan 8.230 nan 0.000 0.450 262 Y N -1.230 118.910 120.300 -0.266 0.000 2.531 262 Y HA 0.241 4.792 4.550 0.001 0.000 0.249 262 Y C 0.406 176.161 175.900 -0.242 0.000 1.168 262 Y CA -0.532 57.401 58.100 -0.278 0.000 1.226 262 Y CB 0.427 38.643 38.460 -0.407 0.000 1.177 262 Y HN 0.096 nan 8.280 nan 0.000 0.527 263 N N 0.057 118.635 118.700 -0.204 0.000 2.321 263 N HA 0.110 4.851 4.740 0.001 0.000 0.290 263 N C -1.699 173.715 175.510 -0.160 0.000 1.212 263 N CA -0.620 52.281 53.050 -0.248 0.000 0.767 263 N CB 1.936 40.106 38.487 -0.530 0.000 1.494 263 N HN -0.015 nan 8.380 nan 0.000 0.479 264 D N 1.371 121.712 120.400 -0.097 0.000 2.428 264 D HA 0.243 4.883 4.640 0.001 0.000 0.221 264 D C -0.510 175.799 176.300 0.015 0.000 1.123 264 D CA -0.342 53.642 54.000 -0.026 0.000 0.869 264 D CB 0.242 41.034 40.800 -0.013 0.000 1.032 264 D HN 0.246 nan 8.370 nan 0.000 0.506 265 I N 3.909 124.533 120.570 0.091 0.000 2.325 265 I HA 0.282 4.453 4.170 0.001 0.000 0.291 265 I C 0.327 176.559 176.117 0.193 0.000 1.019 265 I CA -0.679 60.739 61.300 0.198 0.000 1.302 265 I CB 0.224 38.482 38.000 0.430 0.000 1.401 265 I HN 0.466 nan 8.210 nan 0.000 0.485 266 N N 3.768 122.576 118.700 0.180 0.000 2.701 266 N HA 0.235 4.976 4.740 0.001 0.000 0.290 266 N C 0.929 176.569 175.510 0.216 0.000 1.338 266 N CA -0.652 52.498 53.050 0.166 0.000 0.799 266 N CB 0.560 39.125 38.487 0.130 0.000 1.491 266 N HN 0.429 nan 8.380 nan 0.000 0.540 267 H N -0.352 118.790 119.070 0.119 0.000 2.289 267 H HA -0.157 4.400 4.556 0.001 0.000 0.294 267 H C 0.600 176.095 175.328 0.277 0.000 1.095 267 H CA 2.966 59.118 56.048 0.174 0.000 1.256 267 H CB -0.211 29.631 29.762 0.135 0.000 1.359 267 H HN 0.697 nan 8.280 nan 0.000 0.487 268 T N 0.479 115.196 114.554 0.272 0.000 2.652 268 T HA -0.192 4.159 4.350 0.001 0.000 0.267 268 T C 1.907 176.696 174.700 0.148 0.000 1.039 268 T CA 1.787 64.005 62.100 0.195 0.000 1.153 268 T CB -0.337 68.624 68.868 0.155 0.000 0.863 268 T HN 0.329 nan 8.240 nan 0.000 0.428 269 E N 0.511 120.798 120.200 0.146 0.000 2.110 269 E HA -0.072 4.278 4.350 0.001 0.000 0.193 269 E C 1.745 178.418 176.600 0.121 0.000 0.988 269 E CA 0.953 57.427 56.400 0.123 0.000 0.804 269 E CB -0.545 29.229 29.700 0.123 0.000 0.745 269 E HN 0.521 nan 8.360 nan 0.000 0.458 270 F N 0.282 120.225 119.950 -0.013 0.000 2.134 270 F HA -0.197 4.330 4.527 0.001 0.000 0.299 270 F C 2.287 177.951 175.800 -0.226 0.000 1.097 270 F CA 1.887 59.820 58.000 -0.111 0.000 1.264 270 F CB -0.058 38.799 39.000 -0.237 0.000 1.001 270 F HN 0.203 nan 8.300 nan 0.000 0.479 271 H N -0.806 118.303 119.070 0.064 0.000 2.403 271 H HA 0.001 4.557 4.556 0.001 0.000 0.298 271 H C 1.636 176.941 175.328 -0.038 0.000 1.059 271 H CA 1.301 57.338 56.048 -0.019 0.000 1.363 271 H CB -0.214 29.494 29.762 -0.089 0.000 1.410 271 H HN 0.278 nan 8.280 nan 0.000 0.528 272 N N 0.880 119.634 118.700 0.090 0.000 2.336 272 N HA -0.093 4.648 4.740 0.001 0.000 0.177 272 N C 0.620 176.136 175.510 0.011 0.000 1.018 272 N CA 0.341 53.422 53.050 0.052 0.000 0.878 272 N CB -0.068 38.455 38.487 0.060 0.000 0.997 272 N HN 0.168 nan 8.380 nan 0.000 0.433 273 N N 1.636 120.332 118.700 -0.007 0.000 2.426 273 N HA 0.207 4.947 4.740 0.001 0.000 0.257 273 N C -2.131 173.322 175.510 -0.096 0.000 1.002 273 N CA -1.915 51.122 53.050 -0.021 0.000 0.942 273 N CB 1.633 40.139 38.487 0.031 0.000 1.112 273 N HN -0.101 nan 8.380 nan 0.000 0.499 274 P HA 0.016 nan 4.420 nan 0.000 0.230 274 P C 0.108 177.291 177.300 -0.195 0.000 1.158 274 P CA 0.689 63.704 63.100 -0.142 0.000 0.769 274 P CB 0.421 32.067 31.700 -0.090 0.000 0.807 275 D N -1.431 118.857 120.400 -0.187 0.000 2.264 275 D HA -0.108 4.532 4.640 0.001 0.000 0.208 275 D C 1.740 177.689 176.300 -0.585 0.000 0.966 275 D CA 0.681 54.478 54.000 -0.339 0.000 0.864 275 D CB -0.903 39.730 40.800 -0.278 0.000 0.933 275 D HN 0.150 nan 8.370 nan 0.000 0.499 276 C N 0.155 119.220 119.300 -0.392 0.000 2.442 276 C HA -0.084 4.376 4.460 0.001 0.000 0.279 276 C C 2.622 177.386 174.990 -0.375 0.000 1.237 276 C CA 0.051 58.860 59.018 -0.349 0.000 1.722 276 C CB -0.954 26.543 27.740 -0.406 0.000 2.056 276 C HN 0.303 nan 8.230 nan 0.000 0.469 277 L N 1.333 122.195 121.223 -0.602 0.000 2.042 277 L HA -0.135 4.205 4.340 0.001 0.000 0.210 277 L C 2.522 179.366 176.870 -0.043 0.000 1.076 277 L CA 1.947 56.613 54.840 -0.290 0.000 0.749 277 L CB -0.924 40.971 42.059 -0.272 0.000 0.893 277 L HN 0.316 nan 8.230 nan 0.000 0.432 278 E N -0.243 119.872 120.200 -0.141 0.000 2.118 278 E HA -0.209 4.141 4.350 0.001 0.000 0.195 278 E C 1.974 178.527 176.600 -0.078 0.000 0.992 278 E CA 1.317 57.653 56.400 -0.107 0.000 0.804 278 E CB -0.411 29.190 29.700 -0.164 0.000 0.741 278 E HN 0.649 nan 8.360 nan 0.000 0.458 279 N N -0.270 118.338 118.700 -0.152 0.000 2.333 279 N HA -0.064 4.677 4.740 0.001 0.000 0.178 279 N C 1.783 177.482 175.510 0.316 0.000 1.018 279 N CA 0.197 53.215 53.050 -0.053 0.000 0.882 279 N CB -0.220 37.988 38.487 -0.465 0.000 0.984 279 N HN 0.081 nan 8.380 nan 0.000 0.434 280 F N 2.186 122.343 119.950 0.345 0.000 2.095 280 F HA -0.149 4.378 4.527 0.001 0.000 0.298 280 F C 2.045 177.932 175.800 0.146 0.000 1.104 280 F CA 0.980 59.157 58.000 0.296 0.000 1.232 280 F CB -0.223 38.995 39.000 0.363 0.000 0.987 280 F HN -0.167 nan 8.300 nan 0.000 0.475 281 I N 0.468 121.219 120.570 0.301 0.000 2.381 281 I HA -0.332 3.839 4.170 0.001 0.000 0.255 281 I C 1.976 178.116 176.117 0.039 0.000 1.140 281 I CA 1.561 62.955 61.300 0.157 0.000 1.404 281 I CB -0.639 37.437 38.000 0.127 0.000 1.075 281 I HN 0.335 nan 8.210 nan 0.000 0.433 282 Q N -0.456 119.360 119.800 0.026 0.000 2.319 282 Q HA 0.220 4.560 4.340 0.001 0.000 0.202 282 Q C 0.384 176.370 176.000 -0.023 0.000 0.896 282 Q CA 0.105 55.910 55.803 0.004 0.000 0.942 282 Q CB 0.496 29.244 28.738 0.018 0.000 1.083 282 Q HN 0.398 nan 8.270 nan 0.000 0.510 283 L N 2.507 123.671 121.223 -0.099 0.000 2.292 283 L HA 0.185 4.526 4.340 0.001 0.000 0.284 283 L C -0.149 176.627 176.870 -0.157 0.000 1.065 283 L CA -0.314 54.440 54.840 -0.145 0.000 0.806 283 L CB 0.773 42.650 42.059 -0.304 0.000 1.175 283 L HN 0.112 nan 8.230 nan 0.000 0.431 284 D N -0.844 119.505 120.400 -0.086 0.000 2.798 284 D HA 0.211 4.851 4.640 0.001 0.000 0.308 284 D C 0.005 176.295 176.300 -0.017 0.000 1.187 284 D CA -0.616 53.340 54.000 -0.073 0.000 1.033 284 D CB 0.586 41.355 40.800 -0.051 0.000 1.445 284 D HN 0.195 nan 8.370 nan 0.000 0.550 285 D N -0.832 119.571 120.400 0.004 0.000 2.182 285 D HA -0.131 4.509 4.640 0.001 0.000 0.201 285 D C 1.272 177.728 176.300 0.260 0.000 0.986 285 D CA 0.834 54.917 54.000 0.138 0.000 0.847 285 D CB -0.218 40.672 40.800 0.150 0.000 0.942 285 D HN 0.318 nan 8.370 nan 0.000 0.467 286 N N 1.106 119.901 118.700 0.157 0.000 2.104 286 N HA -0.135 4.606 4.740 0.001 0.000 0.190 286 N C 1.230 176.813 175.510 0.121 0.000 1.024 286 N CA 0.892 54.033 53.050 0.153 0.000 0.853 286 N CB -0.150 38.383 38.487 0.077 0.000 1.008 286 N HN 0.339 nan 8.380 nan 0.000 0.424 287 D N 1.136 121.577 120.400 0.069 0.000 2.104 287 D HA -0.115 4.526 4.640 0.001 0.000 0.194 287 D C 1.990 178.278 176.300 -0.020 0.000 0.994 287 D CA 0.735 54.758 54.000 0.038 0.000 0.830 287 D CB 0.005 40.820 40.800 0.025 0.000 0.959 287 D HN 0.175 nan 8.370 nan 0.000 0.452 288 I N -0.241 120.301 120.570 -0.045 0.000 2.202 288 I HA -0.191 3.980 4.170 0.001 0.000 0.242 288 I C 2.378 178.286 176.117 -0.348 0.000 1.091 288 I CA 0.791 61.957 61.300 -0.224 0.000 1.368 288 I CB -1.426 36.441 38.000 -0.222 0.000 1.058 288 I HN 0.150 nan 8.210 nan 0.000 0.410 289 W N 1.267 122.528 121.300 -0.064 0.000 2.388 289 W HA -0.137 4.524 4.660 0.001 0.000 0.294 289 W C 2.713 179.147 176.519 -0.143 0.000 1.212 289 W CA 1.318 58.610 57.345 -0.089 0.000 1.271 289 W CB -0.745 28.704 29.460 -0.017 0.000 1.126 289 W HN -0.001 nan 8.180 nan 0.000 0.535 290 T N 0.020 114.627 114.554 0.089 0.000 2.777 290 T HA -0.166 4.184 4.350 0.001 0.000 0.266 290 T C 2.021 176.619 174.700 -0.170 0.000 1.040 290 T CA 1.640 63.744 62.100 0.007 0.000 1.141 290 T CB -0.796 68.138 68.868 0.109 0.000 0.868 290 T HN 0.164 nan 8.240 nan 0.000 0.444 291 A N 1.715 124.346 122.820 -0.314 0.000 1.859 291 A HA -0.093 4.227 4.320 0.001 0.000 0.217 291 A C 2.312 179.173 177.584 -1.205 0.000 1.198 291 A CA 1.556 53.008 52.037 -0.975 0.000 0.629 291 A CB -1.102 17.101 19.000 -1.328 0.000 0.830 291 A HN 0.477 nan 8.150 nan 0.000 0.446 292 L N -0.982 119.792 121.223 -0.749 0.000 2.042 292 L HA -0.264 4.076 4.340 0.001 0.000 0.210 292 L C 2.647 179.438 176.870 -0.131 0.000 1.076 292 L CA 2.040 56.669 54.840 -0.352 0.000 0.749 292 L CB -0.531 41.347 42.059 -0.301 0.000 0.893 292 L HN 0.385 nan 8.230 nan 0.000 0.432 293 K N -0.396 119.942 120.400 -0.104 0.000 2.032 293 K HA -0.153 4.168 4.320 0.001 0.000 0.209 293 K C 1.979 178.534 176.600 -0.076 0.000 1.048 293 K CA 1.488 57.753 56.287 -0.038 0.000 0.927 293 K CB -0.225 32.255 32.500 -0.033 0.000 0.712 293 K HN 0.101 nan 8.250 nan 0.000 0.441 294 V N -0.288 119.511 119.914 -0.191 0.000 2.488 294 V HA -0.164 3.957 4.120 0.001 0.000 0.246 294 V C 1.779 177.967 176.094 0.158 0.000 1.046 294 V CA 1.153 63.366 62.300 -0.145 0.000 1.053 294 V CB -0.530 31.017 31.823 -0.461 0.000 0.679 294 V HN 0.415 nan 8.190 nan 0.000 0.458 295 W N 1.081 122.413 121.300 0.054 0.000 2.421 295 W HA -0.113 4.548 4.660 0.001 0.000 0.270 295 W C 2.824 179.390 176.519 0.077 0.000 1.233 295 W CA 1.228 58.625 57.345 0.088 0.000 1.226 295 W CB -1.559 27.910 29.460 0.015 0.000 1.121 295 W HN 0.522 nan 8.180 nan 0.000 0.579 296 S N 0.006 115.853 115.700 0.246 0.000 2.469 296 S HA -0.174 4.297 4.470 0.001 0.000 0.238 296 S C 1.148 175.836 174.600 0.147 0.000 0.998 296 S CA 1.344 59.645 58.200 0.168 0.000 0.957 296 S CB -0.779 62.487 63.200 0.110 0.000 0.764 296 S HN 0.402 nan 8.310 nan 0.000 0.514 297 N N -0.019 118.774 118.700 0.156 0.000 2.187 297 N HA 0.154 4.894 4.740 0.001 0.000 0.212 297 N C 0.020 175.611 175.510 0.135 0.000 1.152 297 N CA -0.239 52.879 53.050 0.114 0.000 0.872 297 N CB 0.196 38.723 38.487 0.066 0.000 1.025 297 N HN 0.406 nan 8.380 nan 0.000 0.514 298 H N 1.604 120.740 119.070 0.111 0.000 2.871 298 H HA 0.021 4.577 4.556 0.001 0.000 0.355 298 H C -1.458 173.896 175.328 0.044 0.000 1.092 298 H CA -0.737 55.360 56.048 0.082 0.000 1.420 298 H CB 1.267 31.063 29.762 0.057 0.000 1.400 298 H HN 0.029 nan 8.280 nan 0.000 0.604 299 P HA -0.140 nan 4.420 nan 0.000 0.216 299 P C -0.013 177.372 177.300 0.142 0.000 1.150 299 P CA 1.095 64.186 63.100 -0.016 0.000 0.837 299 P CB 0.022 31.652 31.700 -0.116 0.000 0.786 300 D N -0.796 119.821 120.400 0.361 0.000 2.487 300 D HA -0.064 4.576 4.640 0.001 0.000 0.243 300 D C 1.336 177.702 176.300 0.110 0.000 1.154 300 D CA 0.286 54.390 54.000 0.173 0.000 0.876 300 D CB 0.629 41.458 40.800 0.047 0.000 1.161 300 D HN -0.250 nan 8.370 nan 0.000 0.478 301 K N 2.677 123.124 120.400 0.078 0.000 2.103 301 K HA -0.036 4.284 4.320 0.001 0.000 0.204 301 K C 1.499 178.177 176.600 0.130 0.000 1.052 301 K CA 0.927 57.264 56.287 0.082 0.000 0.945 301 K CB -0.173 32.357 32.500 0.051 0.000 0.722 301 K HN 0.398 nan 8.250 nan 0.000 0.443 302 V N 0.913 120.906 119.914 0.132 0.000 2.229 302 V HA -0.214 3.906 4.120 0.001 0.000 0.243 302 V C 2.218 178.365 176.094 0.088 0.000 1.042 302 V CA 1.752 64.195 62.300 0.239 0.000 1.000 302 V CB -0.606 31.253 31.823 0.061 0.000 0.637 302 V HN 0.295 nan 8.190 nan 0.000 0.446 303 L N 1.072 122.233 121.223 -0.102 0.000 2.013 303 L HA -0.205 4.135 4.340 0.001 0.000 0.212 303 L C 2.739 179.611 176.870 0.004 0.000 1.073 303 L CA 2.672 57.410 54.840 -0.171 0.000 0.753 303 L CB -0.734 41.099 42.059 -0.376 0.000 0.890 303 L HN 0.561 nan 8.230 nan 0.000 0.432 304 S N -3.048 112.697 115.700 0.075 0.000 2.383 304 S HA -0.154 4.317 4.470 0.001 0.000 0.227 304 S C 1.833 176.520 174.600 0.146 0.000 1.026 304 S CA 1.379 59.662 58.200 0.139 0.000 0.981 304 S CB -0.993 62.297 63.200 0.150 0.000 0.818 304 S HN 0.517 nan 8.310 nan 0.000 0.472 305 T N 2.885 117.547 114.554 0.180 0.000 2.857 305 T HA 0.184 4.535 4.350 0.001 0.000 0.266 305 T C 1.734 176.589 174.700 0.259 0.000 1.048 305 T CA 1.180 63.418 62.100 0.230 0.000 1.139 305 T CB -0.456 68.576 68.868 0.274 0.000 0.874 305 T HN 0.275 nan 8.240 nan 0.000 0.455 306 L N 0.765 122.121 121.223 0.222 0.000 1.976 306 L HA -0.117 4.223 4.340 0.001 0.000 0.209 306 L C 2.925 179.809 176.870 0.024 0.000 1.071 306 L CA 1.142 56.027 54.840 0.073 0.000 0.746 306 L CB -0.682 41.317 42.059 -0.100 0.000 0.890 306 L HN 0.219 nan 8.230 nan 0.000 0.432 307 S N 0.005 115.739 115.700 0.057 0.000 2.359 307 S HA -0.218 4.252 4.470 0.001 0.000 0.224 307 S C 1.863 176.510 174.600 0.078 0.000 1.035 307 S CA 1.479 59.721 58.200 0.071 0.000 1.018 307 S CB -0.398 62.910 63.200 0.180 0.000 0.876 307 S HN 0.217 nan 8.310 nan 0.000 0.448 308 L N 1.561 122.847 121.223 0.106 0.000 2.141 308 L HA 0.123 4.463 4.340 0.001 0.000 0.209 308 L C 1.487 178.422 176.870 0.109 0.000 1.094 308 L CA 0.913 55.817 54.840 0.106 0.000 0.763 308 L CB -1.279 40.843 42.059 0.105 0.000 0.908 308 L HN 0.288 nan 8.230 nan 0.000 0.437 312 N N 2.748 121.531 118.700 0.138 0.000 2.336 312 N HA 0.178 4.918 4.740 0.001 0.000 0.189 312 N C 0.355 175.914 175.510 0.082 0.000 1.113 312 N CA 0.297 53.400 53.050 0.089 0.000 0.858 312 N CB 0.135 38.666 38.487 0.074 0.000 0.970 312 N HN 0.335 nan 8.380 nan 0.000 0.471 313 R N 0.938 121.515 120.500 0.128 0.000 3.264 313 R HA -0.218 4.123 4.340 0.001 0.000 0.251 313 R C -0.988 175.348 176.300 0.059 0.000 0.971 313 R CA 0.210 56.361 56.100 0.085 0.000 0.658 313 R CB -2.151 28.143 30.300 -0.011 0.000 1.095 313 R HN 0.219 nan 8.270 nan 0.000 0.443 314 N N 1.556 120.314 118.700 0.096 0.000 2.801 314 N HA 0.197 4.937 4.740 0.001 0.000 0.235 314 N C -0.243 175.338 175.510 0.118 0.000 1.069 314 N CA -0.606 52.501 53.050 0.094 0.000 0.946 314 N CB 0.408 38.959 38.487 0.107 0.000 1.212 314 N HN 0.190 nan 8.380 nan 0.000 0.509 315 I N 2.824 123.448 120.570 0.091 0.000 2.472 315 I HA 0.268 4.438 4.170 0.001 0.000 0.290 315 I C 0.574 176.802 176.117 0.185 0.000 1.016 315 I CA -0.786 60.572 61.300 0.096 0.000 1.348 315 I CB -0.170 37.854 38.000 0.040 0.000 1.417 315 I HN 0.262 nan 8.210 nan 0.000 0.521 316 F N 3.683 123.661 119.950 0.046 0.000 2.635 316 F HA -0.063 4.464 4.527 0.001 0.000 0.379 316 F C 1.280 177.002 175.800 -0.129 0.000 1.094 316 F CA 0.056 58.036 58.000 -0.033 0.000 1.300 316 F CB -0.287 38.707 39.000 -0.009 0.000 1.035 316 F HN 0.408 nan 8.300 nan 0.000 0.581 317 K N 1.854 122.169 120.400 -0.140 0.000 2.436 317 K HA 0.349 4.670 4.320 0.001 0.000 0.275 317 K C -1.174 175.270 176.600 -0.260 0.000 0.999 317 K CA -0.154 55.963 56.287 -0.283 0.000 0.980 317 K CB 0.536 32.725 32.500 -0.517 0.000 0.919 317 K HN 0.399 nan 8.250 nan 0.000 0.484 318 V N 3.600 123.479 119.914 -0.059 0.000 2.577 318 V HA 0.303 4.423 4.120 0.001 0.000 0.303 318 V C -0.750 175.415 176.094 0.118 0.000 1.042 318 V CA -0.896 61.448 62.300 0.074 0.000 0.872 318 V CB 1.591 33.503 31.823 0.147 0.000 0.998 318 V HN 0.816 nan 8.190 nan 0.000 0.423 319 E N 3.882 124.190 120.200 0.180 0.000 2.207 319 E HA 0.533 4.884 4.350 0.001 0.000 0.270 319 E C -1.010 175.689 176.600 0.165 0.000 0.927 319 E CA -0.847 55.651 56.400 0.164 0.000 0.799 319 E CB 2.241 32.050 29.700 0.182 0.000 1.172 319 E HN 0.860 nan 8.360 nan 0.000 0.404 320 N N 0.539 119.291 118.700 0.085 0.000 2.265 320 N HA 0.408 5.148 4.740 0.001 0.000 0.300 320 N C -1.315 174.187 175.510 -0.014 0.000 1.148 320 N CA -0.655 52.385 53.050 -0.017 0.000 0.772 320 N CB 2.247 40.650 38.487 -0.140 0.000 1.434 320 N HN 0.314 nan 8.380 nan 0.000 0.481 321 S N -0.889 114.799 115.700 -0.019 0.000 2.546 321 S HA 0.623 5.093 4.470 0.001 0.000 0.274 321 S C 0.304 174.942 174.600 0.064 0.000 1.121 321 S CA -0.266 57.948 58.200 0.023 0.000 0.887 321 S CB 1.460 64.685 63.200 0.041 0.000 1.094 321 S HN 0.751 nan 8.310 nan 0.000 0.474 322 A N 2.531 125.381 122.820 0.050 0.000 2.066 322 A HA 0.273 4.593 4.320 0.001 0.000 0.218 322 A C 0.622 178.330 177.584 0.207 0.000 1.157 322 A CA 0.838 52.930 52.037 0.091 0.000 0.670 322 A CB -0.300 18.718 19.000 0.030 0.000 0.804 322 A HN 0.780 nan 8.150 nan 0.000 0.453 323 E N -0.404 119.847 120.200 0.085 0.000 2.212 323 E HA 0.431 4.782 4.350 0.001 0.000 0.270 323 E C -2.697 173.636 176.600 -0.445 0.000 0.956 323 E CA -2.504 53.823 56.400 -0.122 0.000 0.825 323 E CB 1.075 30.710 29.700 -0.107 0.000 1.167 323 E HN 0.016 nan 8.360 nan 0.000 0.400 324 P HA -0.066 nan 4.420 nan 0.000 0.266 324 P C -0.781 176.319 177.300 -0.333 0.000 1.193 324 P CA 0.253 62.784 63.100 -0.947 0.000 0.770 324 P CB 0.345 31.637 31.700 -0.679 0.000 0.836 325 I N 1.664 122.137 120.570 -0.161 0.000 2.496 325 I HA 0.219 4.389 4.170 0.001 0.000 0.285 325 I C 1.461 177.541 176.117 -0.062 0.000 1.080 325 I CA 0.479 61.747 61.300 -0.053 0.000 1.404 325 I CB 0.011 38.028 38.000 0.029 0.000 1.403 325 I HN 0.286 nan 8.210 nan 0.000 0.539 326 G N 3.696 112.464 108.800 -0.054 0.000 2.365 326 G HA2 0.356 4.316 3.960 0.001 0.000 0.249 326 G HA3 0.356 4.316 3.960 0.001 0.000 0.249 326 G C 0.898 175.775 174.900 -0.039 0.000 1.288 326 G CA 0.144 45.214 45.100 -0.050 0.000 0.887 326 G HN 0.874 nan 8.290 nan 0.000 0.524 327 E N 0.836 121.014 120.200 -0.036 0.000 2.219 327 E HA -0.158 4.192 4.350 0.001 0.000 0.198 327 E C 2.051 178.631 176.600 -0.033 0.000 0.998 327 E CA 2.272 58.654 56.400 -0.029 0.000 0.818 327 E CB -1.205 28.480 29.700 -0.025 0.000 0.741 327 E HN 0.826 nan 8.360 nan 0.000 0.477 328 D N 0.444 120.822 120.400 -0.035 0.000 2.097 328 D HA -0.133 4.507 4.640 0.001 0.000 0.197 328 D C 2.277 178.549 176.300 -0.047 0.000 0.984 328 D CA 1.169 55.147 54.000 -0.037 0.000 0.826 328 D CB -0.451 40.328 40.800 -0.034 0.000 0.973 328 D HN 0.348 nan 8.370 nan 0.000 0.460 329 R N -0.447 120.022 120.500 -0.052 0.000 2.073 329 R HA -0.023 4.317 4.340 0.001 0.000 0.234 329 R C 2.641 178.887 176.300 -0.091 0.000 1.134 329 R CA 1.098 57.154 56.100 -0.073 0.000 0.952 329 R CB -0.524 29.736 30.300 -0.067 0.000 0.850 329 R HN 0.496 nan 8.270 nan 0.000 0.433 330 I N 0.916 121.447 120.570 -0.065 0.000 2.127 330 I HA -0.328 3.842 4.170 0.001 0.000 0.241 330 I C 2.366 178.445 176.117 -0.063 0.000 1.075 330 I CA 1.584 62.848 61.300 -0.060 0.000 1.334 330 I CB -0.283 37.701 38.000 -0.028 0.000 1.040 330 I HN 0.145 nan 8.210 nan 0.000 0.405 331 K N 0.363 120.733 120.400 -0.050 0.000 2.057 331 K HA -0.242 4.078 4.320 0.001 0.000 0.207 331 K C 2.086 178.653 176.600 -0.055 0.000 1.049 331 K CA 1.536 57.797 56.287 -0.044 0.000 0.931 331 K CB -0.239 32.241 32.500 -0.034 0.000 0.714 331 K HN 0.365 nan 8.250 nan 0.000 0.440 332 E N 1.317 121.478 120.200 -0.066 0.000 2.038 332 E HA -0.221 4.129 4.350 0.001 0.000 0.195 332 E C 2.049 178.590 176.600 -0.098 0.000 1.000 332 E CA 1.141 57.496 56.400 -0.074 0.000 0.803 332 E CB -0.033 29.620 29.700 -0.078 0.000 0.750 332 E HN 0.222 nan 8.360 nan 0.000 0.448 333 L N 0.353 121.489 121.223 -0.144 0.000 2.056 333 L HA -0.150 4.190 4.340 0.001 0.000 0.207 333 L C 2.724 179.524 176.870 -0.118 0.000 1.078 333 L CA 1.607 56.327 54.840 -0.199 0.000 0.749 333 L CB -0.452 41.387 42.059 -0.366 0.000 0.901 333 L HN 0.210 nan 8.230 nan 0.000 0.433 334 T N 0.103 114.610 114.554 -0.078 0.000 2.759 334 T HA -0.193 4.157 4.350 0.001 0.000 0.269 334 T C 1.764 176.447 174.700 -0.029 0.000 1.042 334 T CA 1.211 63.292 62.100 -0.031 0.000 1.140 334 T CB -0.192 68.667 68.868 -0.015 0.000 0.864 334 T HN 0.077 nan 8.240 nan 0.000 0.455 335 L N 1.236 122.434 121.223 -0.040 0.000 2.005 335 L HA -0.001 4.339 4.340 0.001 0.000 0.207 335 L C 2.457 179.303 176.870 -0.041 0.000 1.072 335 L CA 1.682 56.502 54.840 -0.035 0.000 0.744 335 L CB -1.008 41.030 42.059 -0.035 0.000 0.895 335 L HN 0.237 nan 8.230 nan 0.000 0.433 336 Q N -0.557 119.211 119.800 -0.053 0.000 2.077 336 Q HA -0.242 4.099 4.340 0.001 0.000 0.206 336 Q C 2.247 178.214 176.000 -0.054 0.000 0.989 336 Q CA 2.316 58.088 55.803 -0.052 0.000 0.853 336 Q CB -0.297 28.404 28.738 -0.062 0.000 0.907 336 Q HN 0.561 nan 8.270 nan 0.000 0.418 337 I N -0.093 120.440 120.570 -0.063 0.000 2.252 337 I HA -0.231 3.940 4.170 0.001 0.000 0.245 337 I C 2.575 178.627 176.117 -0.110 0.000 1.102 337 I CA 0.629 61.875 61.300 -0.090 0.000 1.385 337 I CB -0.310 37.639 38.000 -0.086 0.000 1.064 337 I HN 0.100 nan 8.210 nan 0.000 0.414 338 S N 0.180 115.841 115.700 -0.066 0.000 2.374 338 S HA -0.280 4.190 4.470 0.001 0.000 0.227 338 S C 2.024 176.593 174.600 -0.051 0.000 1.037 338 S CA 1.796 59.967 58.200 -0.049 0.000 1.024 338 S CB -0.140 63.050 63.200 -0.017 0.000 0.861 338 S HN 0.456 nan 8.310 nan 0.000 0.456 339 Q N 0.114 119.886 119.800 -0.046 0.000 2.049 339 Q HA -0.079 4.262 4.340 0.001 0.000 0.198 339 Q C 2.463 178.436 176.000 -0.046 0.000 0.971 339 Q CA 1.187 56.967 55.803 -0.038 0.000 0.833 339 Q CB -0.309 28.411 28.738 -0.030 0.000 0.896 339 Q HN 0.567 nan 8.270 nan 0.000 0.434 340 Q N 0.721 120.488 119.800 -0.056 0.000 2.096 340 Q HA -0.183 4.158 4.340 0.001 0.000 0.204 340 Q C 1.768 177.725 176.000 -0.072 0.000 0.982 340 Q CA 1.274 57.044 55.803 -0.055 0.000 0.850 340 Q CB 0.064 28.770 28.738 -0.053 0.000 0.901 340 Q HN 0.400 nan 8.270 nan 0.000 0.422 341 L N -1.138 120.016 121.223 -0.114 0.000 2.529 341 L HA 0.216 4.557 4.340 0.001 0.000 0.223 341 L C 1.013 177.832 176.870 -0.085 0.000 1.113 341 L CA 0.354 55.114 54.840 -0.134 0.000 0.861 341 L CB 0.259 42.153 42.059 -0.275 0.000 1.012 341 L HN 0.411 nan 8.230 nan 0.000 0.461 342 G N 2.244 111.006 108.800 -0.064 0.000 2.324 342 G HA2 -0.252 3.708 3.960 0.001 0.000 0.292 342 G HA3 -0.252 3.708 3.960 0.001 0.000 0.292 342 G C -0.095 174.791 174.900 -0.025 0.000 1.079 342 G CA 0.556 45.635 45.100 -0.035 0.000 1.026 342 G HN 0.453 nan 8.290 nan 0.000 0.506 343 I N -2.872 117.682 120.570 -0.026 0.000 3.042 343 I HA 0.875 5.045 4.170 0.001 0.000 0.310 343 I C 0.647 176.776 176.117 0.020 0.000 1.117 343 I CA -0.795 60.508 61.300 0.006 0.000 1.003 343 I CB 1.902 39.910 38.000 0.014 0.000 1.228 343 I HN 0.280 nan 8.210 nan 0.000 0.443 344 T N 0.392 114.972 114.554 0.042 0.000 2.856 344 T HA 0.141 4.491 4.350 0.001 0.000 0.306 344 T C 0.855 175.583 174.700 0.047 0.000 1.062 344 T CA -0.434 61.690 62.100 0.039 0.000 1.083 344 T CB 1.184 70.077 68.868 0.043 0.000 0.984 344 T HN 0.641 nan 8.240 nan 0.000 0.542 345 L N 1.676 122.917 121.223 0.030 0.000 2.083 345 L HA -0.016 4.324 4.340 0.001 0.000 0.209 345 L C 2.933 179.827 176.870 0.040 0.000 1.083 345 L CA 1.980 56.836 54.840 0.026 0.000 0.752 345 L CB -1.089 40.975 42.059 0.010 0.000 0.899 345 L HN 0.953 nan 8.230 nan 0.000 0.433 346 S N -0.857 114.866 115.700 0.039 0.000 2.368 346 S HA -0.212 4.259 4.470 0.001 0.000 0.225 346 S C 1.872 176.518 174.600 0.077 0.000 1.030 346 S CA 1.554 59.775 58.200 0.034 0.000 0.999 346 S CB -0.191 63.027 63.200 0.029 0.000 0.844 346 S HN 0.590 nan 8.310 nan 0.000 0.459 347 E N 0.507 120.796 120.200 0.150 0.000 2.204 347 E HA -0.000 4.350 4.350 0.001 0.000 0.194 347 E C 2.116 178.959 176.600 0.404 0.000 0.989 347 E CA 0.809 57.390 56.400 0.302 0.000 0.824 347 E CB -0.202 29.643 29.700 0.241 0.000 0.756 347 E HN 0.611 nan 8.360 nan 0.000 0.477 348 A N 1.343 124.318 122.820 0.258 0.000 2.119 348 A HA -0.129 4.191 4.320 0.001 0.000 0.217 348 A C 1.595 179.342 177.584 0.272 0.000 1.153 348 A CA 0.693 52.908 52.037 0.297 0.000 0.692 348 A CB -0.223 18.843 19.000 0.110 0.000 0.799 348 A HN 0.123 nan 8.150 nan 0.000 0.458 349 N N -0.406 118.367 118.700 0.122 0.000 2.149 349 N HA -0.199 4.542 4.740 0.001 0.000 0.188 349 N C 1.125 176.616 175.510 -0.033 0.000 1.019 349 N CA 1.490 54.536 53.050 -0.007 0.000 0.857 349 N CB -0.648 37.758 38.487 -0.135 0.000 0.997 349 N HN 0.641 nan 8.380 nan 0.000 0.426 350 Y N -0.606 119.711 120.300 0.029 0.000 2.465 350 Y HA -0.096 4.455 4.550 0.001 0.000 0.289 350 Y C 1.109 176.818 175.900 -0.319 0.000 1.150 350 Y CA 0.800 58.794 58.100 -0.178 0.000 1.293 350 Y CB -0.422 37.833 38.460 -0.341 0.000 0.977 350 Y HN 0.028 nan 8.280 nan 0.000 0.556 351 F N -1.879 118.158 119.950 0.146 0.000 2.639 351 F HA 0.323 4.851 4.527 0.001 0.000 0.302 351 F C -0.142 175.489 175.800 -0.281 0.000 1.097 351 F CA -0.267 57.697 58.000 -0.059 0.000 1.294 351 F CB 0.490 39.472 39.000 -0.030 0.000 1.027 351 F HN -0.399 nan 8.300 nan 0.000 0.550 352 V N -0.345 119.578 119.914 0.015 0.000 2.623 352 V HA 0.510 4.630 4.120 0.001 0.000 0.304 352 V C -0.618 175.514 176.094 0.063 0.000 1.054 352 V CA -0.741 61.571 62.300 0.020 0.000 0.882 352 V CB 1.935 33.774 31.823 0.028 0.000 1.002 352 V HN -0.015 nan 8.190 nan 0.000 0.424 353 S N 2.456 118.226 115.700 0.116 0.000 2.547 353 S HA 0.717 5.187 4.470 0.001 0.000 0.281 353 S C -0.153 174.551 174.600 0.173 0.000 1.118 353 S CA -0.029 58.257 58.200 0.144 0.000 0.947 353 S CB 1.794 65.110 63.200 0.193 0.000 1.053 353 S HN 1.017 nan 8.310 nan 0.000 0.482 354 T N 2.163 116.810 114.554 0.156 0.000 3.585 354 T HA 0.486 4.836 4.350 0.001 0.000 0.252 354 T C -2.436 172.393 174.700 0.213 0.000 1.382 354 T CA -1.123 61.094 62.100 0.194 0.000 1.584 354 T CB 0.381 69.339 68.868 0.150 0.000 0.892 354 T HN 0.429 nan 8.240 nan 0.000 0.671 355 P HA 0.585 nan 4.420 nan 0.000 0.276 355 P C -0.455 177.043 177.300 0.331 0.000 1.261 355 P CA -0.301 62.928 63.100 0.215 0.000 0.800 355 P CB 1.407 33.193 31.700 0.142 0.000 1.066 356 S N -0.245 115.605 115.700 0.250 0.000 2.607 356 S HA 0.689 5.160 4.470 0.001 0.000 0.273 356 S C -1.178 173.493 174.600 0.119 0.000 1.148 356 S CA -0.682 57.611 58.200 0.155 0.000 0.833 356 S CB 1.338 64.538 63.200 -0.000 0.000 1.130 356 S HN 0.381 nan 8.310 nan 0.000 0.470 357 I N 0.804 121.400 120.570 0.043 0.000 2.533 357 I HA 0.592 4.763 4.170 0.001 0.000 0.290 357 I C -1.013 175.117 176.117 0.022 0.000 1.056 357 I CA -0.538 60.829 61.300 0.112 0.000 1.057 357 I CB 1.962 40.137 38.000 0.291 0.000 1.240 357 I HN 0.962 nan 8.210 nan 0.000 0.423 358 E N 6.049 126.281 120.200 0.054 0.000 2.165 358 E HA 0.539 4.890 4.350 0.001 0.000 0.266 358 E C -1.453 175.207 176.600 0.100 0.000 0.889 358 E CA -0.809 55.625 56.400 0.056 0.000 0.756 358 E CB 1.141 30.866 29.700 0.042 0.000 1.131 358 E HN 0.411 nan 8.360 nan 0.000 0.411 359 K N 3.667 124.145 120.400 0.129 0.000 2.507 359 K HA 0.351 4.671 4.320 0.001 0.000 0.251 359 K C -1.031 175.621 176.600 0.087 0.000 0.943 359 K CA -0.671 55.682 56.287 0.110 0.000 0.794 359 K CB 0.935 33.530 32.500 0.160 0.000 1.188 359 K HN 0.433 nan 8.250 nan 0.000 0.428 363 D N 8.793 128.805 120.400 -0.647 0.000 2.542 363 D HA 0.419 5.059 4.640 0.001 0.000 0.252 363 D C -2.241 173.694 176.300 -0.609 0.000 1.222 363 D CA -2.268 51.445 54.000 -0.477 0.000 0.895 363 D CB 2.821 43.482 40.800 -0.233 0.000 1.207 363 D HN 0.270 nan 8.370 nan 0.000 0.558 364 P HA -0.084 nan 4.420 nan 0.000 0.222 364 P C 1.091 178.301 177.300 -0.150 0.000 1.147 364 P CA 0.573 63.486 63.100 -0.311 0.000 0.790 364 P CB 0.221 31.874 31.700 -0.079 0.000 0.780 365 A N 0.142 122.887 122.820 -0.125 0.000 2.076 365 A HA -0.177 4.143 4.320 0.001 0.000 0.220 365 A C 1.780 179.332 177.584 -0.052 0.000 1.160 365 A CA 1.905 53.906 52.037 -0.060 0.000 0.653 365 A CB -0.775 18.200 19.000 -0.041 0.000 0.801 365 A HN 0.115 nan 8.150 nan 0.000 0.455 366 D N -1.421 118.915 120.400 -0.107 0.000 2.431 366 D HA 0.031 4.671 4.640 0.001 0.000 0.227 366 D C 0.619 176.871 176.300 -0.080 0.000 1.030 366 D CA 0.475 54.425 54.000 -0.084 0.000 0.897 366 D CB -0.029 40.697 40.800 -0.122 0.000 1.058 366 D HN 0.310 nan 8.370 nan 0.000 0.500 367 D N -0.017 120.294 120.400 -0.148 0.000 2.423 367 D HA 0.000 4.641 4.640 0.001 0.000 0.208 367 D C 0.370 176.692 176.300 0.037 0.000 1.068 367 D CA 0.281 54.231 54.000 -0.084 0.000 0.860 367 D CB 0.509 41.166 40.800 -0.238 0.000 0.992 367 D HN -0.115 nan 8.370 nan 0.000 0.504 368 S N 1.171 116.879 115.700 0.013 0.000 3.036 368 S HA 0.309 4.780 4.470 0.001 0.000 0.301 368 S C -0.082 174.567 174.600 0.082 0.000 1.205 368 S CA -0.363 57.886 58.200 0.081 0.000 0.999 368 S CB -0.843 62.396 63.200 0.065 0.000 1.337 368 S HN 0.027 nan 8.310 nan 0.000 0.515 369 I N 3.670 124.300 120.570 0.100 0.000 2.406 369 I HA 0.367 4.537 4.170 0.001 0.000 0.290 369 I C -0.501 175.657 176.117 0.069 0.000 0.999 369 I CA -0.891 60.460 61.300 0.086 0.000 1.124 369 I CB 1.753 39.820 38.000 0.111 0.000 1.289 369 I HN 0.338 nan 8.210 nan 0.000 0.441 370 D N 6.766 127.193 120.400 0.046 0.000 2.225 370 D HA 0.372 5.012 4.640 0.001 0.000 0.248 370 D C -0.283 176.018 176.300 0.002 0.000 1.096 370 D CA -0.146 53.877 54.000 0.038 0.000 0.863 370 D CB 2.034 42.856 40.800 0.036 0.000 1.156 370 D HN 0.124 nan 8.370 nan 0.000 0.450 371 I N 3.113 123.685 120.570 0.002 0.000 2.336 371 I HA 0.313 4.484 4.170 0.001 0.000 0.292 371 I C 0.504 176.560 176.117 -0.101 0.000 0.991 371 I CA -0.660 60.582 61.300 -0.097 0.000 1.227 371 I CB 1.239 39.148 38.000 -0.151 0.000 1.366 371 I HN 0.261 nan 8.210 nan 0.000 0.466 372 I N 6.970 127.440 120.570 -0.166 0.000 2.331 372 I HA 0.278 4.448 4.170 0.001 0.000 0.292 372 I C -0.751 175.236 176.117 -0.217 0.000 0.998 372 I CA -0.352 60.892 61.300 -0.093 0.000 1.267 372 I CB 0.976 38.936 38.000 -0.067 0.000 1.386 372 I HN 0.359 nan 8.210 nan 0.000 0.476 373 Y N 5.938 126.218 120.300 -0.032 0.000 2.408 373 Y HA 0.320 4.870 4.550 0.000 0.000 0.324 373 Y C 1.693 177.573 175.900 -0.034 0.000 1.302 373 Y CA -0.026 58.053 58.100 -0.034 0.000 1.384 373 Y CB 0.596 39.040 38.460 -0.027 0.000 1.367 373 Y HN 0.610 nan 8.280 nan 0.000 0.525 374 K N 0.182 120.662 120.400 0.134 0.000 2.152 374 K HA -0.181 4.139 4.320 0.001 0.000 0.206 374 K C 0.856 177.486 176.600 0.050 0.000 1.048 374 K CA 2.112 58.431 56.287 0.055 0.000 0.933 374 K CB -1.276 31.250 32.500 0.044 0.000 0.721 374 K HN 0.835 nan 8.250 nan 0.000 0.447 375 D N -2.545 117.898 120.400 0.072 0.000 2.319 375 D HA 0.254 4.895 4.640 0.001 0.000 0.230 375 D C 1.087 177.412 176.300 0.042 0.000 1.094 375 D CA 0.576 54.601 54.000 0.041 0.000 0.856 375 D CB -0.185 40.630 40.800 0.024 0.000 0.915 375 D HN 0.565 nan 8.370 nan 0.000 0.517 376 G N -0.458 108.376 108.800 0.056 0.000 2.184 376 G HA2 -0.318 3.642 3.960 0.001 0.000 0.264 376 G HA3 -0.318 3.642 3.960 0.001 0.000 0.264 376 G C 0.548 175.486 174.900 0.062 0.000 0.975 376 G CA 0.533 45.660 45.100 0.045 0.000 0.642 376 G HN 0.482 nan 8.290 nan 0.000 0.536 377 T N 0.674 115.281 114.554 0.088 0.000 2.932 377 T HA 0.511 4.861 4.350 0.001 0.000 0.312 377 T C 0.489 175.296 174.700 0.178 0.000 1.071 377 T CA 0.525 62.676 62.100 0.087 0.000 1.128 377 T CB 1.498 70.371 68.868 0.008 0.000 0.984 377 T HN 0.370 nan 8.240 nan 0.000 0.549 378 I N 2.155 122.804 120.570 0.132 0.000 2.499 378 I HA 0.404 4.574 4.170 0.001 0.000 0.288 378 I C -0.180 176.022 176.117 0.141 0.000 1.048 378 I CA -0.779 60.611 61.300 0.150 0.000 1.062 378 I CB 1.887 39.935 38.000 0.079 0.000 1.238 378 I HN 0.408 nan 8.210 nan 0.000 0.426 379 K N 4.248 124.770 120.400 0.205 0.000 2.318 379 K HA 0.367 4.687 4.320 0.001 0.000 0.249 379 K C -0.538 176.139 176.600 0.128 0.000 0.942 379 K CA -0.940 55.440 56.287 0.155 0.000 0.808 379 K CB 1.965 34.581 32.500 0.193 0.000 1.189 379 K HN 0.479 nan 8.250 nan 0.000 0.428 380 N N 1.995 120.753 118.700 0.097 0.000 2.479 380 N HA -0.051 4.689 4.740 0.001 0.000 0.257 380 N C 0.985 176.557 175.510 0.103 0.000 1.232 380 N CA 0.032 53.139 53.050 0.095 0.000 0.920 380 N CB 0.676 39.218 38.487 0.092 0.000 1.105 380 N HN 0.561 nan 8.380 nan 0.000 0.444 381 I N 4.304 124.937 120.570 0.104 0.000 2.315 381 I HA -0.256 3.914 4.170 0.001 0.000 0.251 381 I C 2.140 178.319 176.117 0.104 0.000 1.125 381 I CA 1.573 62.937 61.300 0.106 0.000 1.392 381 I CB -0.588 37.481 38.000 0.115 0.000 1.065 381 I HN 0.704 nan 8.210 nan 0.000 0.424 382 A N -0.735 122.145 122.820 0.100 0.000 2.024 382 A HA -0.232 4.089 4.320 0.001 0.000 0.220 382 A C 2.236 179.850 177.584 0.050 0.000 1.164 382 A CA 2.049 54.124 52.037 0.065 0.000 0.643 382 A CB -0.568 18.452 19.000 0.033 0.000 0.806 382 A HN 0.526 nan 8.150 nan 0.000 0.451 383 E N -0.960 119.278 120.200 0.063 0.000 2.201 383 E HA 0.292 4.643 4.350 0.001 0.000 0.193 383 E C 2.021 178.670 176.600 0.081 0.000 0.957 383 E CA 0.827 57.260 56.400 0.056 0.000 0.858 383 E CB -0.228 29.500 29.700 0.047 0.000 0.816 383 E HN 0.436 nan 8.360 nan 0.000 0.475 384 A N 0.084 122.976 122.820 0.120 0.000 2.067 384 A HA -0.020 4.300 4.320 0.001 0.000 0.219 384 A C 1.461 179.130 177.584 0.142 0.000 1.158 384 A CA 0.921 53.062 52.037 0.173 0.000 0.661 384 A CB -0.310 18.815 19.000 0.208 0.000 0.801 384 A HN 0.168 nan 8.150 nan 0.000 0.452 385 S N 0.805 116.573 115.700 0.113 0.000 2.513 385 S HA 0.332 4.803 4.470 0.001 0.000 0.276 385 S C -0.313 174.343 174.600 0.094 0.000 1.254 385 S CA -0.954 57.314 58.200 0.114 0.000 1.053 385 S CB 0.184 63.447 63.200 0.105 0.000 0.958 385 S HN 0.391 nan 8.310 nan 0.000 0.491 389 N N 1.561 120.264 118.700 0.005 0.000 2.432 389 N HA 0.638 5.378 4.740 0.001 0.000 0.292 389 N C 0.989 176.434 175.510 -0.108 0.000 1.193 389 N CA -0.992 52.038 53.050 -0.035 0.000 0.878 389 N CB 1.288 39.758 38.487 -0.029 0.000 1.252 389 N HN 0.166 nan 8.380 nan 0.000 0.520 390 I N -0.010 120.434 120.570 -0.210 0.000 2.185 390 I HA -0.276 3.894 4.170 0.001 0.000 0.246 390 I C 1.584 177.539 176.117 -0.271 0.000 1.088 390 I CA 1.420 62.457 61.300 -0.439 0.000 1.347 390 I CB -1.635 36.085 38.000 -0.467 0.000 1.041 390 I HN 0.644 nan 8.210 nan 0.000 0.415 391 S N 1.057 116.670 115.700 -0.144 0.000 2.383 391 S HA -0.126 4.344 4.470 0.001 0.000 0.227 391 S C 1.990 176.562 174.600 -0.047 0.000 1.026 391 S CA 0.663 58.815 58.200 -0.081 0.000 0.981 391 S CB -0.579 62.591 63.200 -0.050 0.000 0.818 391 S HN 0.335 nan 8.310 nan 0.000 0.472 392 L N 1.677 122.877 121.223 -0.038 0.000 2.046 392 L HA 0.060 4.401 4.340 0.001 0.000 0.208 392 L C 1.825 178.702 176.870 0.013 0.000 1.077 392 L CA 1.686 56.523 54.840 -0.006 0.000 0.747 392 L CB -0.587 41.474 42.059 0.005 0.000 0.896 392 L HN 0.299 nan 8.230 nan 0.000 0.432 393 L N -1.749 119.478 121.223 0.005 0.000 2.416 393 L HA 0.118 4.458 4.340 0.001 0.000 0.216 393 L C 0.855 177.788 176.870 0.105 0.000 1.098 393 L CA -0.116 54.768 54.840 0.074 0.000 0.840 393 L CB -0.249 41.894 42.059 0.139 0.000 0.981 393 L HN -0.020 nan 8.230 nan 0.000 0.462 394 S N 1.530 117.252 115.700 0.037 0.000 2.455 394 S HA 0.284 4.754 4.470 0.001 0.000 0.278 394 S C -0.083 174.557 174.600 0.066 0.000 1.216 394 S CA 0.036 58.279 58.200 0.073 0.000 1.055 394 S CB 0.325 63.527 63.200 0.002 0.000 0.939 394 S HN 0.151 nan 8.310 nan 0.000 0.494 395 K N 2.896 123.350 120.400 0.090 0.000 2.587 395 K HA 0.191 4.511 4.320 0.001 0.000 0.256 395 K C -1.435 175.218 176.600 0.087 0.000 0.974 395 K CA -0.472 55.860 56.287 0.076 0.000 0.855 395 K CB 1.021 33.569 32.500 0.080 0.000 1.292 395 K HN 0.436 nan 8.250 nan 0.000 0.444 396 K N 3.857 124.300 120.400 0.073 0.000 2.234 396 K HA 0.358 4.678 4.320 0.001 0.000 0.277 396 K C -1.085 175.562 176.600 0.079 0.000 1.038 396 K CA -0.618 55.716 56.287 0.078 0.000 0.888 396 K CB 1.270 33.808 32.500 0.064 0.000 1.091 396 K HN 0.293 nan 8.250 nan 0.000 0.467 397 V N 4.995 124.977 119.914 0.114 0.000 2.459 397 V HA 0.336 4.457 4.120 0.001 0.000 0.295 397 V C -0.499 175.643 176.094 0.081 0.000 1.029 397 V CA -0.772 61.591 62.300 0.105 0.000 0.874 397 V CB 1.525 33.470 31.823 0.202 0.000 0.985 397 V HN 0.717 nan 8.190 nan 0.000 0.438 398 K N 4.604 125.008 120.400 0.005 0.000 2.483 398 K HA 0.541 4.861 4.320 0.001 0.000 0.256 398 K C -0.908 175.567 176.600 -0.208 0.000 0.961 398 K CA -0.627 55.603 56.287 -0.095 0.000 0.873 398 K CB 1.822 34.324 32.500 0.003 0.000 1.107 398 K HN 0.553 nan 8.250 nan 0.000 0.432 399 K N 2.579 122.771 120.400 -0.348 0.000 2.259 399 K HA 0.390 4.710 4.320 0.001 0.000 0.252 399 K C -1.171 175.003 176.600 -0.710 0.000 0.936 399 K CA -0.863 55.163 56.287 -0.435 0.000 0.810 399 K CB 1.647 33.901 32.500 -0.410 0.000 1.143 399 K HN 0.371 nan 8.250 nan 0.000 0.427 400 Y N 1.396 121.526 120.300 -0.283 0.000 2.331 400 Y HA 0.299 4.850 4.550 0.001 0.000 0.334 400 Y C -0.700 175.071 175.900 -0.214 0.000 0.960 400 Y CA -0.866 57.144 58.100 -0.150 0.000 1.130 400 Y CB 1.078 39.512 38.460 -0.044 0.000 1.164 400 Y HN 0.430 nan 8.280 nan 0.000 0.458 401 Y N 3.200 123.618 120.300 0.197 0.000 2.352 401 Y HA 0.558 5.109 4.550 0.001 0.000 0.326 401 Y C -0.523 175.482 175.900 0.175 0.000 1.166 401 Y CA -1.095 57.103 58.100 0.164 0.000 1.182 401 Y CB 1.423 39.968 38.460 0.142 0.000 1.216 401 Y HN 0.442 nan 8.280 nan 0.000 0.474 402 L N 3.497 124.920 121.223 0.335 0.000 2.388 402 L HA 0.580 4.920 4.340 0.001 0.000 0.267 402 L C -1.547 175.526 176.870 0.338 0.000 0.995 402 L CA -0.728 54.293 54.840 0.301 0.000 0.864 402 L CB 0.339 42.554 42.059 0.260 0.000 1.216 402 L HN 0.726 nan 8.230 nan 0.000 0.430 403 C N 5.214 124.697 119.300 0.305 0.000 2.351 403 C HA 0.891 5.351 4.460 0.001 0.000 0.326 403 C C -0.743 174.326 174.990 0.132 0.000 1.272 403 C CA -0.655 58.503 59.018 0.233 0.000 1.650 403 C CB 0.100 28.040 27.740 0.334 0.000 2.257 403 C HN 0.786 nan 8.230 nan 0.000 0.505 404 Y N -0.293 119.893 120.300 -0.191 0.000 2.604 404 Y HA 0.576 5.126 4.550 0.001 0.000 0.331 404 Y C -0.604 174.940 175.900 -0.592 0.000 1.158 404 Y CA -1.257 56.499 58.100 -0.573 0.000 1.056 404 Y CB 0.392 38.717 38.460 -0.226 0.000 1.330 404 Y HN 0.556 nan 8.280 nan 0.000 0.457 405 Q N 3.178 122.621 119.800 -0.595 0.000 2.398 405 Q HA 0.102 4.442 4.340 0.001 0.000 0.329 405 Q C -0.209 175.856 176.000 0.109 0.000 1.079 405 Q CA 0.554 56.346 55.803 -0.019 0.000 1.041 405 Q CB 0.521 29.335 28.738 0.127 0.000 1.084 405 Q HN 0.818 nan 8.270 nan 0.000 0.386 406 R N 0.000 120.573 120.500 0.121 0.000 2.786 406 R HA 0.000 4.340 4.340 0.001 0.000 0.208 406 R CA 0.000 56.157 56.100 0.096 0.000 0.921 406 R CB 0.000 30.331 30.300 0.052 0.000 0.687 406 R HN 0.000 nan 8.270 nan 0.000 0.535