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 1lm7_1_B DATA FIRST_RESID 2209 DATA SEQUENCE SFQGIRQPVT VTELVDSGIL RPSTVNELES GXXSYDEVGE RIKDFLQGSS DATA SEQUENCE CIAGIYNETT KQKLGIYEAM KIGLVRPGTA LELLEAQAAT GFIVDPVSNL DATA SEQUENCE RLPVEEAYKR GLVGIEFKEK LLSAERAVTG YNDPETGNII SLFQAMNKEL DATA SEQUENCE IEKGHGIRLL EAQIATGGII DPKESHRLPV DIAYKRGYFN EELSEILSDP DATA SEQUENCE SDDTKGFFDP NTEENLTYLQ LKERCIKDEE TGLCLLPLKE 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 2209 S HA 0.000 nan 4.470 nan 0.000 0.327 2209 S C 0.000 174.535 174.600 -0.108 0.000 1.055 2209 S CA 0.000 58.158 58.200 -0.069 0.000 1.107 2209 S CB 0.000 63.166 63.200 -0.056 0.000 0.593 2210 F N 3.098 123.114 119.950 0.109 0.000 2.370 2210 F HA 0.570 5.097 4.527 0.000 0.000 0.324 2210 F C 0.882 176.719 175.800 0.062 0.000 1.116 2210 F CA -0.393 57.660 58.000 0.089 0.000 1.123 2210 F CB 0.426 39.456 39.000 0.050 0.000 1.238 2210 F HN 0.080 nan 8.300 nan 0.000 0.536 2211 Q N 1.319 121.275 119.800 0.260 0.000 2.294 2211 Q HA 0.351 4.691 4.340 0.000 0.000 0.257 2211 Q C 0.253 176.358 176.000 0.175 0.000 0.955 2211 Q CA -0.195 55.712 55.803 0.174 0.000 0.936 2211 Q CB 1.549 30.369 28.738 0.137 0.000 1.188 2211 Q HN 0.929 nan 8.270 nan 0.000 0.420 2212 G N 2.313 111.208 108.800 0.158 0.000 2.641 2212 G HA2 0.302 4.262 3.960 0.000 0.000 0.239 2212 G HA3 0.302 4.262 3.960 0.000 0.000 0.239 2212 G C 1.121 176.128 174.900 0.177 0.000 1.402 2212 G CA -0.535 44.663 45.100 0.164 0.000 1.046 2212 G HN 0.513 nan 8.290 nan 0.000 0.565 2213 I N -0.159 120.498 120.570 0.144 0.000 2.076 2213 I HA -0.102 4.068 4.170 0.000 0.000 0.237 2213 I C 2.661 178.834 176.117 0.093 0.000 1.059 2213 I CA 1.539 62.897 61.300 0.097 0.000 1.317 2213 I CB -1.038 36.916 38.000 -0.076 0.000 1.037 2213 I HN 0.352 nan 8.210 nan 0.000 0.398 2214 R N 0.289 120.813 120.500 0.041 0.000 2.049 2214 R HA 0.227 4.567 4.340 0.000 0.000 0.202 2214 R C 0.993 177.333 176.300 0.067 0.000 1.306 2214 R CA 0.141 56.267 56.100 0.043 0.000 1.107 2214 R CB -0.513 29.784 30.300 -0.005 0.000 0.996 2214 R HN 0.460 nan 8.270 nan 0.000 0.469 2215 Q N 1.723 121.558 119.800 0.059 0.000 2.382 2215 Q HA 0.274 4.614 4.340 0.000 0.000 0.229 2215 Q C -2.309 173.744 176.000 0.088 0.000 1.006 2215 Q CA -1.744 54.099 55.803 0.066 0.000 0.916 2215 Q CB 0.217 28.990 28.738 0.059 0.000 1.235 2215 Q HN 0.009 nan 8.270 nan 0.000 0.512 2216 P HA 0.120 nan 4.420 nan 0.000 0.276 2216 P C -1.189 176.176 177.300 0.108 0.000 1.244 2216 P CA -0.266 62.892 63.100 0.096 0.000 0.801 2216 P CB 0.770 32.511 31.700 0.069 0.000 1.006 2217 V N 2.066 122.063 119.914 0.138 0.000 2.448 2217 V HA 0.250 4.370 4.120 0.000 0.000 0.295 2217 V C 0.382 176.573 176.094 0.162 0.000 1.025 2217 V CA -0.350 62.020 62.300 0.117 0.000 0.859 2217 V CB 1.716 33.559 31.823 0.033 0.000 0.988 2217 V HN 0.504 nan 8.190 nan 0.000 0.431 2218 T N 3.692 118.313 114.554 0.112 0.000 2.930 2218 T HA 0.110 4.460 4.350 0.000 0.000 0.306 2218 T C 1.245 176.030 174.700 0.142 0.000 1.045 2218 T CA -0.044 62.126 62.100 0.117 0.000 1.134 2218 T CB 1.472 70.386 68.868 0.078 0.000 0.961 2218 T HN 0.429 nan 8.240 nan 0.000 0.545 2219 V N 3.584 123.606 119.914 0.181 0.000 2.626 2219 V HA -0.139 3.981 4.120 0.000 0.000 0.252 2219 V C 2.551 178.690 176.094 0.073 0.000 1.067 2219 V CA 1.932 64.344 62.300 0.186 0.000 1.081 2219 V CB -0.696 31.247 31.823 0.201 0.000 0.686 2219 V HN 1.002 nan 8.190 nan 0.000 0.468 2220 T N -0.468 114.122 114.554 0.061 0.000 2.737 2220 T HA -0.186 4.164 4.350 0.000 0.000 0.265 2220 T C 1.913 176.627 174.700 0.024 0.000 1.038 2220 T CA 1.538 63.659 62.100 0.036 0.000 1.144 2220 T CB -0.253 68.639 68.868 0.039 0.000 0.866 2220 T HN 0.477 nan 8.240 nan 0.000 0.434 2221 E N 1.518 121.738 120.200 0.033 0.000 2.147 2221 E HA -0.140 4.210 4.350 0.000 0.000 0.199 2221 E C 1.911 178.507 176.600 -0.006 0.000 1.005 2221 E CA 1.357 57.780 56.400 0.038 0.000 0.810 2221 E CB -0.712 29.021 29.700 0.055 0.000 0.736 2221 E HN 0.520 nan 8.360 nan 0.000 0.460 2222 L N -0.837 120.336 121.223 -0.084 0.000 2.179 2222 L HA -0.054 4.286 4.340 0.000 0.000 0.208 2222 L C 2.453 179.252 176.870 -0.119 0.000 1.096 2222 L CA 0.605 55.342 54.840 -0.171 0.000 0.779 2222 L CB -0.245 41.651 42.059 -0.271 0.000 0.922 2222 L HN 0.036 nan 8.230 nan 0.000 0.443 2223 V N -0.280 119.590 119.914 -0.073 0.000 2.453 2223 V HA -0.234 3.887 4.120 0.000 0.000 0.247 2223 V C 2.052 178.124 176.094 -0.037 0.000 1.048 2223 V CA 1.657 63.921 62.300 -0.060 0.000 1.049 2223 V CB -0.468 31.334 31.823 -0.034 0.000 0.672 2223 V HN 0.432 nan 8.190 nan 0.000 0.457 2224 D N -0.006 120.387 120.400 -0.011 0.000 2.144 2224 D HA -0.122 4.518 4.640 0.000 0.000 0.200 2224 D C 2.232 178.540 176.300 0.012 0.000 0.978 2224 D CA 1.425 55.430 54.000 0.008 0.000 0.833 2224 D CB -0.134 40.683 40.800 0.029 0.000 0.961 2224 D HN 0.341 nan 8.370 nan 0.000 0.470 2225 S N -0.606 115.106 115.700 0.020 0.000 2.595 2225 S HA 0.093 4.563 4.470 0.000 0.000 0.235 2225 S C 1.427 176.014 174.600 -0.022 0.000 0.974 2225 S CA 0.710 58.937 58.200 0.044 0.000 0.942 2225 S CB -0.169 63.111 63.200 0.134 0.000 0.766 2225 S HN 0.502 nan 8.310 nan 0.000 0.536 2226 G N 0.787 109.555 108.800 -0.053 0.000 2.198 2226 G HA2 -0.266 3.694 3.960 0.000 0.000 0.260 2226 G HA3 -0.266 3.694 3.960 0.000 0.000 0.260 2226 G C 0.544 175.346 174.900 -0.162 0.000 1.025 2226 G CA 0.649 45.700 45.100 -0.081 0.000 0.769 2226 G HN 0.566 nan 8.290 nan 0.000 0.507 2227 I N -1.117 119.318 120.570 -0.225 0.000 2.947 2227 I HA 0.301 4.471 4.170 0.000 0.000 0.263 2227 I C 1.348 177.276 176.117 -0.315 0.000 1.130 2227 I CA 0.364 61.425 61.300 -0.399 0.000 1.448 2227 I CB 0.011 37.702 38.000 -0.516 0.000 1.222 2227 I HN 0.061 nan 8.210 nan 0.000 0.453 2228 L N 1.498 122.580 121.223 -0.235 0.000 2.322 2228 L HA 0.419 4.759 4.340 0.000 0.000 0.279 2228 L C -0.378 176.420 176.870 -0.119 0.000 1.036 2228 L CA -0.738 53.992 54.840 -0.184 0.000 0.807 2228 L CB 1.400 43.350 42.059 -0.182 0.000 1.226 2228 L HN 0.073 nan 8.230 nan 0.000 0.433 2229 R N 2.609 123.052 120.500 -0.095 0.000 2.438 2229 R HA 0.192 4.532 4.340 0.000 0.000 0.287 2229 R C -1.755 174.515 176.300 -0.049 0.000 1.077 2229 R CA -1.333 54.729 56.100 -0.064 0.000 1.034 2229 R CB -0.094 30.174 30.300 -0.053 0.000 0.993 2229 R HN 0.314 nan 8.270 nan 0.000 0.459 2230 P HA -0.286 nan 4.420 nan 0.000 0.218 2230 P C 0.886 178.175 177.300 -0.019 0.000 1.146 2230 P CA 1.630 64.716 63.100 -0.024 0.000 0.820 2230 P CB 0.198 31.887 31.700 -0.017 0.000 0.778 2231 S N -2.409 113.278 115.700 -0.022 0.000 2.395 2231 S HA -0.091 4.379 4.470 0.000 0.000 0.225 2231 S C 1.822 176.410 174.600 -0.020 0.000 1.027 2231 S CA 1.503 59.693 58.200 -0.017 0.000 0.965 2231 S CB -1.756 61.434 63.200 -0.017 0.000 0.812 2231 S HN 0.074 nan 8.310 nan 0.000 0.482 2232 T N 1.718 116.253 114.554 -0.031 0.000 2.977 2232 T HA 0.009 4.359 4.350 0.000 0.000 0.271 2232 T C 1.682 176.362 174.700 -0.033 0.000 1.105 2232 T CA 1.037 63.114 62.100 -0.038 0.000 1.116 2232 T CB -0.450 68.383 68.868 -0.058 0.000 0.878 2232 T HN 0.311 nan 8.240 nan 0.000 0.509 2233 V N 2.134 122.035 119.914 -0.021 0.000 2.407 2233 V HA -0.064 4.056 4.120 0.000 0.000 0.245 2233 V C 1.731 177.829 176.094 0.006 0.000 1.041 2233 V CA 1.384 63.681 62.300 -0.005 0.000 1.040 2233 V CB -0.372 31.455 31.823 0.006 0.000 0.671 2233 V HN 0.349 nan 8.190 nan 0.000 0.455 2234 N N 0.338 119.040 118.700 0.004 0.000 2.573 2234 N HA -0.087 4.653 4.740 0.000 0.000 0.187 2234 N C 1.517 177.033 175.510 0.010 0.000 1.107 2234 N CA 0.912 53.968 53.050 0.009 0.000 0.918 2234 N CB -0.082 38.408 38.487 0.005 0.000 0.966 2234 N HN 0.649 nan 8.380 nan 0.000 0.448 2235 E N -0.724 119.478 120.200 0.003 0.000 2.431 2235 E HA 0.120 4.470 4.350 0.000 0.000 0.200 2235 E C 1.062 177.668 176.600 0.010 0.000 0.995 2235 E CA -0.059 56.343 56.400 0.003 0.000 0.915 2235 E CB 0.332 30.028 29.700 -0.008 0.000 0.930 2235 E HN 0.105 nan 8.360 nan 0.000 0.496 2236 L N 0.920 122.146 121.223 0.004 0.000 2.127 2236 L HA 0.006 4.346 4.340 0.000 0.000 0.203 2236 L C 1.059 177.998 176.870 0.116 0.000 1.080 2236 L CA 1.027 55.878 54.840 0.018 0.000 0.768 2236 L CB 0.306 42.305 42.059 -0.100 0.000 0.924 2236 L HN -0.093 nan 8.230 nan 0.000 0.444 2237 E N 0.739 120.990 120.200 0.084 0.000 2.044 2237 E HA 0.217 4.567 4.350 0.000 0.000 0.282 2237 E C -0.112 176.516 176.600 0.048 0.000 1.031 2237 E CA 0.245 56.691 56.400 0.075 0.000 0.824 2237 E CB 0.039 29.773 29.700 0.058 0.000 1.076 2237 E HN 0.283 nan 8.360 nan 0.000 0.395 2238 S N 1.884 117.611 115.700 0.046 0.000 4.127 2238 S HA -0.056 4.414 4.470 0.000 0.000 0.455 2238 S C 0.219 174.838 174.600 0.031 0.000 0.855 2238 S CA 0.287 58.506 58.200 0.032 0.000 1.225 2238 S CB -1.962 61.252 63.200 0.022 0.000 0.798 2238 S HN 0.660 nan 8.310 nan 0.000 0.588 2243 Y N 0.212 120.527 120.300 0.024 0.000 2.512 2243 Y HA 0.335 4.885 4.550 0.000 0.000 0.268 2243 Y C 1.263 177.211 175.900 0.081 0.000 1.102 2243 Y CA 0.271 58.387 58.100 0.026 0.000 1.261 2243 Y CB 0.493 38.895 38.460 -0.097 0.000 1.250 2243 Y HN 0.652 nan 8.280 nan 0.000 0.506 2244 D N 0.048 120.569 120.400 0.202 0.000 2.355 2244 D HA -0.044 4.596 4.640 0.000 0.000 0.218 2244 D C 1.305 177.676 176.300 0.118 0.000 1.004 2244 D CA 0.940 55.027 54.000 0.145 0.000 0.880 2244 D CB 0.199 41.056 40.800 0.094 0.000 0.911 2244 D HN 0.468 nan 8.370 nan 0.000 0.528 2245 E N -0.623 119.641 120.200 0.107 0.000 2.290 2245 E HA 0.036 4.386 4.350 0.000 0.000 0.197 2245 E C 1.885 178.523 176.600 0.062 0.000 0.948 2245 E CA 0.044 56.486 56.400 0.070 0.000 0.895 2245 E CB 0.598 30.327 29.700 0.049 0.000 0.865 2245 E HN 0.036 nan 8.360 nan 0.000 0.486 2246 V N 1.141 121.104 119.914 0.082 0.000 2.307 2246 V HA -0.150 3.970 4.120 0.000 0.000 0.245 2246 V C 2.318 178.430 176.094 0.030 0.000 1.045 2246 V CA 2.102 64.428 62.300 0.043 0.000 1.024 2246 V CB -0.778 31.090 31.823 0.074 0.000 0.651 2246 V HN 0.392 nan 8.190 nan 0.000 0.449 2247 G N -1.182 107.743 108.800 0.209 0.000 2.625 2247 G HA2 -0.172 3.788 3.960 0.000 0.000 0.214 2247 G HA3 -0.172 3.788 3.960 0.000 0.000 0.214 2247 G C 1.450 176.402 174.900 0.086 0.000 1.132 2247 G CA 0.381 45.580 45.100 0.165 0.000 0.782 2247 G HN 0.425 nan 8.290 nan 0.000 0.538 2248 E N 0.329 120.572 120.200 0.072 0.000 2.364 2248 E HA 0.081 4.431 4.350 0.000 0.000 0.196 2248 E C 2.484 179.101 176.600 0.028 0.000 0.990 2248 E CA 0.028 56.458 56.400 0.050 0.000 0.886 2248 E CB 0.175 29.906 29.700 0.051 0.000 0.866 2248 E HN 0.438 nan 8.360 nan 0.000 0.493 2249 R N 0.365 120.872 120.500 0.012 0.000 2.173 2249 R HA 0.173 4.513 4.340 0.000 0.000 0.208 2249 R C 2.015 178.323 176.300 0.013 0.000 1.035 2249 R CA 0.764 56.867 56.100 0.004 0.000 1.004 2249 R CB 0.022 30.313 30.300 -0.015 0.000 0.917 2249 R HN 0.120 nan 8.270 nan 0.000 0.462 2250 I N -1.079 119.481 120.570 -0.016 0.000 3.805 2250 I HA 0.235 4.405 4.170 0.000 0.000 0.337 2250 I C 1.494 177.665 176.117 0.091 0.000 1.539 2250 I CA -0.244 61.070 61.300 0.024 0.000 1.176 2250 I CB 0.381 38.276 38.000 -0.175 0.000 1.248 2250 I HN -0.096 nan 8.210 nan 0.000 0.437 2251 K N 1.895 122.337 120.400 0.070 0.000 2.032 2251 K HA -0.213 4.108 4.320 0.000 0.000 0.209 2251 K C 1.158 177.789 176.600 0.052 0.000 1.048 2251 K CA 2.597 58.919 56.287 0.059 0.000 0.927 2251 K CB -0.036 32.486 32.500 0.036 0.000 0.712 2251 K HN 0.380 nan 8.250 nan 0.000 0.441 2252 D N -0.339 120.065 120.400 0.007 0.000 2.271 2252 D HA -0.155 4.485 4.640 0.000 0.000 0.207 2252 D C 1.371 177.530 176.300 -0.234 0.000 0.983 2252 D CA 1.225 55.141 54.000 -0.140 0.000 0.878 2252 D CB -0.094 40.547 40.800 -0.266 0.000 0.920 2252 D HN 0.273 nan 8.370 nan 0.000 0.479 2253 F N -0.463 119.487 119.950 0.001 0.000 2.262 2253 F HA 0.083 4.610 4.527 -0.000 0.000 0.292 2253 F C 1.918 177.756 175.800 0.064 0.000 1.081 2253 F CA -0.007 58.011 58.000 0.031 0.000 1.355 2253 F CB -0.371 38.639 39.000 0.016 0.000 1.069 2253 F HN -0.124 nan 8.300 nan 0.000 0.506 2254 L N 0.090 121.435 121.223 0.204 0.000 1.971 2254 L HA -0.247 4.093 4.340 0.000 0.000 0.215 2254 L C 2.145 179.116 176.870 0.168 0.000 1.072 2254 L CA 2.107 57.038 54.840 0.152 0.000 0.758 2254 L CB -1.031 41.092 42.059 0.107 0.000 0.889 2254 L HN 0.247 nan 8.230 nan 0.000 0.433 2255 Q N -2.277 117.610 119.800 0.145 0.000 2.369 2255 Q HA 0.451 4.791 4.340 0.000 0.000 0.254 2255 Q C 0.814 176.897 176.000 0.138 0.000 0.858 2255 Q CA 0.595 56.513 55.803 0.191 0.000 0.961 2255 Q CB 1.383 30.254 28.738 0.221 0.000 1.119 2255 Q HN 0.409 nan 8.270 nan 0.000 0.538 2256 G N 1.933 110.765 108.800 0.052 0.000 2.497 2256 G HA2 -0.117 3.843 3.960 0.000 0.000 0.686 2256 G HA3 -0.117 3.843 3.960 0.000 0.000 0.686 2256 G C -0.448 174.445 174.900 -0.013 0.000 1.288 2256 G CA -0.347 44.745 45.100 -0.013 0.000 0.899 2256 G HN 0.314 nan 8.290 nan 0.000 0.608 2257 S N -0.861 114.813 115.700 -0.044 0.000 2.681 2257 S HA 0.791 5.261 4.470 0.000 0.000 0.270 2257 S C 0.903 175.506 174.600 0.005 0.000 1.209 2257 S CA 0.585 58.766 58.200 -0.031 0.000 0.988 2257 S CB 1.622 64.787 63.200 -0.057 0.000 1.006 2257 S HN 2.105 nan 8.310 nan 0.000 0.558 2258 S N -0.443 115.259 115.700 0.004 0.000 2.573 2258 S HA 0.340 4.810 4.470 0.000 0.000 0.277 2258 S C 0.526 175.157 174.600 0.050 0.000 1.346 2258 S CA -0.332 57.882 58.200 0.024 0.000 1.034 2258 S CB -1.151 62.051 63.200 0.005 0.000 0.879 2258 S HN 1.007 nan 8.310 nan 0.000 0.528 2259 C N 3.540 122.892 119.300 0.087 0.000 3.018 2259 C HA 0.638 5.098 4.460 0.000 0.000 0.393 2259 C C 0.412 175.456 174.990 0.090 0.000 2.195 2259 C CA -1.154 57.963 59.018 0.164 0.000 1.696 2259 C CB -0.698 27.183 27.740 0.235 0.000 2.455 2259 C HN 0.763 nan 8.230 nan 0.000 0.478 2260 I N 2.220 122.858 120.570 0.113 0.000 2.278 2260 I HA 0.225 4.395 4.170 0.000 0.000 0.300 2260 I C 1.553 177.727 176.117 0.095 0.000 1.174 2260 I CA 0.177 61.499 61.300 0.037 0.000 1.347 2260 I CB 0.164 38.154 38.000 -0.017 0.000 1.473 2260 I HN 0.834 nan 8.210 nan 0.000 0.595 2261 A N 4.787 127.652 122.820 0.074 0.000 1.902 2261 A HA 0.189 4.509 4.320 0.000 0.000 0.217 2261 A C 1.287 178.922 177.584 0.085 0.000 1.181 2261 A CA 1.566 53.651 52.037 0.081 0.000 0.623 2261 A CB -0.222 18.814 19.000 0.060 0.000 0.818 2261 A HN 0.678 nan 8.150 nan 0.000 0.443 2262 G N -2.394 106.453 108.800 0.077 0.000 2.731 2262 G HA2 0.538 4.498 3.960 0.000 0.000 0.309 2262 G HA3 0.538 4.498 3.960 0.000 0.000 0.309 2262 G C -0.977 173.977 174.900 0.089 0.000 1.273 2262 G CA -0.524 44.628 45.100 0.087 0.000 0.798 2262 G HN 0.178 nan 8.290 nan 0.000 0.509 2263 I N -0.591 120.037 120.570 0.097 0.000 2.910 2263 I HA 0.533 4.703 4.170 0.000 0.000 0.310 2263 I C -1.512 174.698 176.117 0.154 0.000 1.043 2263 I CA -0.996 60.369 61.300 0.108 0.000 1.053 2263 I CB 2.520 40.569 38.000 0.082 0.000 1.242 2263 I HN 0.494 nan 8.210 nan 0.000 0.452 2264 Y N 4.726 125.034 120.300 0.014 0.000 2.344 2264 Y HA 0.312 4.862 4.550 0.000 0.000 0.328 2264 Y C -1.030 174.874 175.900 0.008 0.000 1.067 2264 Y CA -1.126 56.979 58.100 0.009 0.000 1.247 2264 Y CB 0.777 39.239 38.460 0.003 0.000 1.113 2264 Y HN 0.604 nan 8.280 nan 0.000 0.465 2265 N N 4.736 123.304 118.700 -0.220 0.000 2.434 2265 N HA 0.088 4.828 4.740 0.000 0.000 0.272 2265 N C 0.328 175.699 175.510 -0.231 0.000 1.040 2265 N CA -0.286 52.689 53.050 -0.125 0.000 0.956 2265 N CB 1.468 39.904 38.487 -0.085 0.000 1.108 2265 N HN 0.705 nan 8.380 nan 0.000 0.481 2266 E N 1.657 121.844 120.200 -0.022 0.000 2.273 2266 E HA -0.152 4.198 4.350 0.000 0.000 0.198 2266 E C 0.805 177.383 176.600 -0.036 0.000 1.002 2266 E CA 1.334 57.752 56.400 0.031 0.000 0.828 2266 E CB -0.416 29.336 29.700 0.087 0.000 0.747 2266 E HN 0.713 nan 8.360 nan 0.000 0.491 2267 T N 0.844 115.364 114.554 -0.057 0.000 2.614 2267 T HA -0.141 4.209 4.350 0.000 0.000 0.263 2267 T C 2.148 176.806 174.700 -0.070 0.000 1.055 2267 T CA 2.395 64.465 62.100 -0.049 0.000 1.162 2267 T CB -0.404 68.439 68.868 -0.042 0.000 0.863 2267 T HN 0.451 nan 8.240 nan 0.000 0.414 2268 T N -1.412 113.074 114.554 -0.113 0.000 3.044 2268 T HA 0.186 4.536 4.350 0.000 0.000 0.250 2268 T C 0.781 175.387 174.700 -0.157 0.000 1.081 2268 T CA 0.113 62.146 62.100 -0.112 0.000 1.040 2268 T CB -0.059 68.747 68.868 -0.103 0.000 0.962 2268 T HN 0.237 nan 8.240 nan 0.000 0.506 2269 K N 0.425 120.656 120.400 -0.282 0.000 3.339 2269 K HA -0.105 4.215 4.320 0.000 0.000 0.299 2269 K C -0.586 175.767 176.600 -0.413 0.000 1.270 2269 K CA 0.594 56.656 56.287 -0.376 0.000 0.875 2269 K CB -1.482 30.966 32.500 -0.086 0.000 1.298 2269 K HN 0.520 nan 8.250 nan 0.000 0.485 2270 Q N 1.043 120.595 119.800 -0.413 0.000 2.215 2270 Q HA 0.349 4.690 4.340 0.000 0.000 0.256 2270 Q C 0.380 176.237 176.000 -0.237 0.000 0.972 2270 Q CA -0.386 55.278 55.803 -0.231 0.000 0.889 2270 Q CB 1.707 30.367 28.738 -0.130 0.000 1.281 2270 Q HN 0.297 nan 8.270 nan 0.000 0.456 2271 K N 0.878 121.253 120.400 -0.042 0.000 2.159 2271 K HA 0.724 5.044 4.320 0.000 0.000 0.266 2271 K C -0.827 175.792 176.600 0.032 0.000 0.975 2271 K CA -0.559 55.762 56.287 0.057 0.000 0.865 2271 K CB 1.120 33.700 32.500 0.134 0.000 1.087 2271 K HN 0.415 nan 8.250 nan 0.000 0.446 2272 L N 1.739 122.990 121.223 0.047 0.000 2.393 2272 L HA 0.467 4.807 4.340 0.000 0.000 0.260 2272 L C 0.417 177.328 176.870 0.069 0.000 1.002 2272 L CA -1.194 53.672 54.840 0.044 0.000 0.818 2272 L CB 2.357 44.430 42.059 0.024 0.000 1.369 2272 L HN 1.024 nan 8.230 nan 0.000 0.412 2273 G N 0.730 109.577 108.800 0.078 0.000 2.651 2273 G HA2 0.228 4.188 3.960 0.000 0.000 0.260 2273 G HA3 0.228 4.188 3.960 0.000 0.000 0.260 2273 G C 0.907 175.877 174.900 0.117 0.000 1.216 2273 G CA -0.489 44.673 45.100 0.104 0.000 0.913 2273 G HN 0.473 nan 8.290 nan 0.000 0.535 2274 I N -0.745 119.911 120.570 0.143 0.000 2.286 2274 I HA -0.091 4.079 4.170 0.000 0.000 0.245 2274 I C 2.218 178.452 176.117 0.194 0.000 1.104 2274 I CA 1.172 62.561 61.300 0.149 0.000 1.397 2274 I CB -0.978 37.108 38.000 0.144 0.000 1.072 2274 I HN 0.609 nan 8.210 nan 0.000 0.417 2275 Y N 2.124 122.490 120.300 0.110 0.000 2.263 2275 Y HA -0.224 4.326 4.550 0.000 0.000 0.292 2275 Y C 2.583 178.550 175.900 0.111 0.000 1.130 2275 Y CA 1.824 60.013 58.100 0.149 0.000 1.179 2275 Y CB -0.134 38.428 38.460 0.171 0.000 0.998 2275 Y HN 0.142 nan 8.280 nan 0.000 0.532 2276 E N 0.268 120.502 120.200 0.057 0.000 2.110 2276 E HA -0.151 4.199 4.350 0.000 0.000 0.193 2276 E C 2.212 178.767 176.600 -0.074 0.000 0.988 2276 E CA 1.403 57.778 56.400 -0.042 0.000 0.804 2276 E CB -0.464 29.259 29.700 0.037 0.000 0.745 2276 E HN 0.462 nan 8.360 nan 0.000 0.458 2277 A N 0.560 123.368 122.820 -0.019 0.000 1.969 2277 A HA -0.124 4.196 4.320 0.000 0.000 0.218 2277 A C 2.230 179.794 177.584 -0.033 0.000 1.169 2277 A CA 1.788 53.817 52.037 -0.013 0.000 0.635 2277 A CB -0.717 18.298 19.000 0.025 0.000 0.810 2277 A HN 0.535 nan 8.150 nan 0.000 0.445 2278 M N -1.707 117.863 119.600 -0.050 0.000 2.506 2278 M HA 0.186 4.666 4.480 0.000 0.000 0.260 2278 M C 1.604 177.828 176.300 -0.127 0.000 1.104 2278 M CA 1.944 57.217 55.300 -0.044 0.000 1.112 2278 M CB -0.113 32.511 32.600 0.039 0.000 1.401 2278 M HN 0.150 nan 8.290 nan 0.000 0.473 2279 K N 1.933 122.186 120.400 -0.244 0.000 2.418 2279 K HA 0.074 4.394 4.320 0.000 0.000 0.195 2279 K C 1.319 177.838 176.600 -0.134 0.000 1.035 2279 K CA 0.787 56.916 56.287 -0.262 0.000 1.003 2279 K CB -0.062 32.201 32.500 -0.395 0.000 0.793 2279 K HN 0.778 nan 8.250 nan 0.000 0.494 2280 I N -4.237 116.276 120.570 -0.096 0.000 4.147 2280 I HA 0.371 4.541 4.170 0.000 0.000 0.329 2280 I C 0.120 176.213 176.117 -0.039 0.000 1.424 2280 I CA -0.239 61.026 61.300 -0.058 0.000 1.127 2280 I CB 0.894 38.865 38.000 -0.048 0.000 1.128 2280 I HN 0.022 nan 8.210 nan 0.000 0.417 2281 G N 3.101 111.879 108.800 -0.035 0.000 2.636 2281 G HA2 -0.195 3.765 3.960 0.000 0.000 0.261 2281 G HA3 -0.195 3.765 3.960 0.000 0.000 0.261 2281 G C -0.507 174.390 174.900 -0.005 0.000 1.018 2281 G CA 0.304 45.394 45.100 -0.016 0.000 1.308 2281 G HN 0.504 nan 8.290 nan 0.000 0.514 2282 L N 1.331 122.557 121.223 0.006 0.000 4.183 2282 L HA 0.583 4.923 4.340 0.000 0.000 0.406 2282 L C 0.000 176.895 176.870 0.042 0.000 1.119 2282 L CA 0.830 55.682 54.840 0.019 0.000 1.467 2282 L CB 1.026 43.091 42.059 0.010 0.000 1.684 2282 L HN 1.301 nan 8.230 nan 0.000 0.633 2283 V N 2.233 122.172 119.914 0.042 0.000 2.775 2283 V HA 0.457 4.577 4.120 0.000 0.000 0.295 2283 V C -0.992 175.131 176.094 0.049 0.000 1.226 2283 V CA -0.653 61.685 62.300 0.064 0.000 0.934 2283 V CB 1.384 33.255 31.823 0.080 0.000 1.056 2283 V HN 0.372 nan 8.190 nan 0.000 0.436 2284 R N 6.348 126.868 120.500 0.032 0.000 2.623 2284 R HA 0.306 4.646 4.340 0.000 0.000 0.271 2284 R C -2.201 174.126 176.300 0.045 0.000 1.043 2284 R CA -0.890 55.219 56.100 0.015 0.000 1.083 2284 R CB -0.651 29.626 30.300 -0.038 0.000 0.974 2284 R HN 0.483 nan 8.270 nan 0.000 0.436 2285 P HA -0.181 nan 4.420 nan 0.000 0.218 2285 P C 1.225 178.602 177.300 0.128 0.000 1.150 2285 P CA 2.395 65.612 63.100 0.196 0.000 0.841 2285 P CB -0.081 31.735 31.700 0.192 0.000 0.784 2286 G N -0.394 108.424 108.800 0.031 0.000 2.511 2286 G HA2 -0.290 3.670 3.960 0.000 0.000 0.216 2286 G HA3 -0.290 3.670 3.960 0.000 0.000 0.216 2286 G C 1.575 176.441 174.900 -0.057 0.000 1.218 2286 G CA 2.040 47.120 45.100 -0.033 0.000 0.788 2286 G HN 0.371 nan 8.290 nan 0.000 0.560 2287 T N -0.750 113.777 114.554 -0.046 0.000 2.962 2287 T HA 0.277 4.627 4.350 0.000 0.000 0.270 2287 T C 2.462 177.178 174.700 0.027 0.000 1.088 2287 T CA 1.565 63.675 62.100 0.017 0.000 1.127 2287 T CB -0.203 68.737 68.868 0.120 0.000 0.883 2287 T HN 0.382 nan 8.240 nan 0.000 0.493 2288 A N 1.729 124.553 122.820 0.006 0.000 1.877 2288 A HA 0.122 4.442 4.320 0.000 0.000 0.216 2288 A C 2.413 179.889 177.584 -0.180 0.000 1.186 2288 A CA 1.315 53.340 52.037 -0.020 0.000 0.620 2288 A CB -1.024 18.007 19.000 0.052 0.000 0.822 2288 A HN 0.524 nan 8.150 nan 0.000 0.443 2289 L N -0.510 120.518 121.223 -0.326 0.000 1.990 2289 L HA -0.273 4.067 4.340 0.000 0.000 0.213 2289 L C 2.737 179.490 176.870 -0.196 0.000 1.072 2289 L CA 2.107 56.696 54.840 -0.418 0.000 0.755 2289 L CB -0.563 41.304 42.059 -0.320 0.000 0.889 2289 L HN 0.554 nan 8.230 nan 0.000 0.432 2290 E N -0.384 119.737 120.200 -0.131 0.000 2.033 2290 E HA -0.282 4.068 4.350 0.000 0.000 0.199 2290 E C 2.068 178.730 176.600 0.103 0.000 1.011 2290 E CA 1.308 57.642 56.400 -0.111 0.000 0.815 2290 E CB -0.183 29.389 29.700 -0.214 0.000 0.755 2290 E HN 0.303 nan 8.360 nan 0.000 0.451 2291 L N 0.461 121.794 121.223 0.183 0.000 2.083 2291 L HA -0.136 4.204 4.340 0.000 0.000 0.209 2291 L C 2.354 179.321 176.870 0.163 0.000 1.083 2291 L CA 1.422 56.428 54.840 0.275 0.000 0.752 2291 L CB -1.132 41.065 42.059 0.230 0.000 0.899 2291 L HN 0.207 nan 8.230 nan 0.000 0.433 2292 L N -0.878 120.375 121.223 0.050 0.000 2.376 2292 L HA -0.115 4.225 4.340 0.000 0.000 0.219 2292 L C 2.355 179.230 176.870 0.009 0.000 1.133 2292 L CA 0.527 55.376 54.840 0.014 0.000 0.816 2292 L CB -0.134 41.882 42.059 -0.073 0.000 0.933 2292 L HN 0.354 nan 8.230 nan 0.000 0.449 2293 E N 0.186 120.394 120.200 0.013 0.000 2.060 2293 E HA -0.078 4.272 4.350 0.000 0.000 0.189 2293 E C 2.300 178.923 176.600 0.038 0.000 0.974 2293 E CA 0.893 57.308 56.400 0.025 0.000 0.808 2293 E CB -0.068 29.657 29.700 0.042 0.000 0.768 2293 E HN 0.422 nan 8.360 nan 0.000 0.453 2294 A N 1.135 124.008 122.820 0.088 0.000 2.070 2294 A HA -0.222 4.098 4.320 0.000 0.000 0.220 2294 A C 2.011 179.569 177.584 -0.043 0.000 1.159 2294 A CA 1.220 53.251 52.037 -0.010 0.000 0.656 2294 A CB -0.300 18.692 19.000 -0.013 0.000 0.800 2294 A HN 0.155 nan 8.150 nan 0.000 0.453 2295 Q N -0.936 118.892 119.800 0.048 0.000 2.096 2295 Q HA 0.014 4.354 4.340 0.000 0.000 0.197 2295 Q C 2.321 178.334 176.000 0.021 0.000 0.964 2295 Q CA 1.080 56.922 55.803 0.064 0.000 0.838 2295 Q CB -0.247 28.552 28.738 0.100 0.000 0.906 2295 Q HN 0.655 nan 8.270 nan 0.000 0.444 2296 A N 0.611 123.431 122.820 0.000 0.000 1.898 2296 A HA -0.068 4.252 4.320 0.000 0.000 0.216 2296 A C 2.133 179.667 177.584 -0.085 0.000 1.181 2296 A CA 1.467 53.481 52.037 -0.037 0.000 0.620 2296 A CB -0.781 18.201 19.000 -0.029 0.000 0.819 2296 A HN 0.438 nan 8.150 nan 0.000 0.442 2297 A N -0.474 122.301 122.820 -0.075 0.000 2.248 2297 A HA 0.087 4.407 4.320 0.000 0.000 0.210 2297 A C 1.820 179.329 177.584 -0.125 0.000 1.174 2297 A CA 1.860 53.840 52.037 -0.096 0.000 0.750 2297 A CB -0.838 18.115 19.000 -0.079 0.000 0.780 2297 A HN 0.673 nan 8.150 nan 0.000 0.478 2298 T N -5.994 108.487 114.554 -0.122 0.000 3.003 2298 T HA 0.503 4.853 4.350 0.000 0.000 0.261 2298 T C 1.224 175.821 174.700 -0.172 0.000 1.003 2298 T CA 0.952 62.983 62.100 -0.116 0.000 0.917 2298 T CB 0.808 69.638 68.868 -0.062 0.000 1.084 2298 T HN 1.276 nan 8.240 nan 0.000 0.522 2299 G N 1.609 110.237 108.800 -0.287 0.000 3.426 2299 G HA2 0.036 3.996 3.960 0.000 0.000 0.196 2299 G HA3 0.036 3.996 3.960 0.000 0.000 0.196 2299 G C -0.547 173.873 174.900 -0.800 0.000 1.763 2299 G CA -0.432 44.231 45.100 -0.729 0.000 1.210 2299 G HN 0.450 nan 8.290 nan 0.000 0.472 2300 F N 1.740 121.690 119.950 0.001 0.000 2.588 2300 F HA 0.833 5.360 4.527 0.000 0.000 0.314 2300 F C 0.009 175.822 175.800 0.021 0.000 1.069 2300 F CA -1.707 56.300 58.000 0.012 0.000 0.931 2300 F CB 1.090 40.099 39.000 0.016 0.000 1.260 2300 F HN -0.004 nan 8.300 nan 0.000 0.465 2301 I N 2.643 123.348 120.570 0.224 0.000 2.519 2301 I HA 0.399 4.569 4.170 0.000 0.000 0.287 2301 I C 0.004 176.205 176.117 0.140 0.000 1.047 2301 I CA -0.628 60.760 61.300 0.147 0.000 1.381 2301 I CB 1.145 39.212 38.000 0.112 0.000 1.417 2301 I HN 0.295 nan 8.210 nan 0.000 0.540 2302 V N 4.438 124.421 119.914 0.116 0.000 2.715 2302 V HA 0.362 4.482 4.120 0.000 0.000 0.310 2302 V C -0.531 175.611 176.094 0.079 0.000 1.054 2302 V CA -0.663 61.690 62.300 0.088 0.000 0.928 2302 V CB 2.328 34.200 31.823 0.082 0.000 1.007 2302 V HN 0.737 nan 8.190 nan 0.000 0.437 2303 D N 4.580 125.016 120.400 0.059 0.000 2.446 2303 D HA 0.398 5.038 4.640 0.000 0.000 0.251 2303 D C -1.314 175.013 176.300 0.045 0.000 1.137 2303 D CA -1.939 52.096 54.000 0.058 0.000 0.890 2303 D CB 2.132 42.962 40.800 0.050 0.000 1.071 2303 D HN 0.217 nan 8.370 nan 0.000 0.528 2304 P HA -0.191 nan 4.420 nan 0.000 0.216 2304 P C 1.404 178.728 177.300 0.041 0.000 1.150 2304 P CA 0.665 63.793 63.100 0.047 0.000 0.837 2304 P CB 0.452 32.189 31.700 0.061 0.000 0.786 2305 V N 0.584 120.523 119.914 0.042 0.000 2.233 2305 V HA -0.186 3.934 4.120 0.000 0.000 0.247 2305 V C 2.943 179.052 176.094 0.026 0.000 1.050 2305 V CA 2.655 64.976 62.300 0.034 0.000 1.010 2305 V CB -1.705 30.137 31.823 0.032 0.000 0.637 2305 V HN 0.259 nan 8.190 nan 0.000 0.444 2306 S N -1.242 114.472 115.700 0.024 0.000 2.478 2306 S HA -0.002 4.468 4.470 0.000 0.000 0.222 2306 S C 1.058 175.664 174.600 0.010 0.000 1.008 2306 S CA 0.680 58.890 58.200 0.016 0.000 0.928 2306 S CB -0.617 62.593 63.200 0.016 0.000 0.781 2306 S HN 0.773 nan 8.310 nan 0.000 0.518 2307 N N -0.026 118.682 118.700 0.012 0.000 2.862 2307 N HA -0.121 4.619 4.740 0.000 0.000 0.246 2307 N C -1.088 174.414 175.510 -0.014 0.000 1.111 2307 N CA 0.079 53.129 53.050 0.000 0.000 0.688 2307 N CB -1.406 37.078 38.487 -0.004 0.000 1.018 2307 N HN 0.354 nan 8.380 nan 0.000 0.556 2308 L N 1.112 122.332 121.223 -0.005 0.000 2.322 2308 L HA 0.549 4.889 4.340 0.000 0.000 0.279 2308 L C 0.442 177.298 176.870 -0.024 0.000 1.036 2308 L CA -0.566 54.264 54.840 -0.016 0.000 0.807 2308 L CB 1.566 43.629 42.059 0.006 0.000 1.226 2308 L HN 0.109 nan 8.230 nan 0.000 0.433 2309 R N 4.285 124.740 120.500 -0.075 0.000 2.439 2309 R HA 0.821 5.161 4.340 0.000 0.000 0.310 2309 R C -1.425 174.862 176.300 -0.022 0.000 0.955 2309 R CA -0.604 55.425 56.100 -0.119 0.000 0.853 2309 R CB 1.832 31.867 30.300 -0.442 0.000 1.171 2309 R HN 0.474 nan 8.270 nan 0.000 0.449 2310 L N 2.821 124.146 121.223 0.170 0.000 2.582 2310 L HA 0.505 4.845 4.340 0.000 0.000 0.257 2310 L C -2.629 174.385 176.870 0.240 0.000 0.974 2310 L CA -2.538 52.431 54.840 0.216 0.000 0.851 2310 L CB 2.880 45.007 42.059 0.112 0.000 1.424 2310 L HN 0.312 nan 8.230 nan 0.000 0.412 2311 P HA 0.078 nan 4.420 nan 0.000 0.270 2311 P C 0.894 178.236 177.300 0.072 0.000 1.223 2311 P CA -0.361 62.793 63.100 0.089 0.000 0.785 2311 P CB 0.805 32.540 31.700 0.059 0.000 0.923 2312 V N 1.191 121.126 119.914 0.035 0.000 2.278 2312 V HA -0.277 3.843 4.120 0.000 0.000 0.251 2312 V C 2.249 178.383 176.094 0.067 0.000 1.062 2312 V CA 1.925 64.250 62.300 0.041 0.000 1.038 2312 V CB -0.950 30.873 31.823 0.001 0.000 0.646 2312 V HN 0.628 nan 8.190 nan 0.000 0.447 2313 E N -0.498 119.731 120.200 0.048 0.000 2.085 2313 E HA -0.206 4.144 4.350 0.000 0.000 0.194 2313 E C 2.345 179.015 176.600 0.116 0.000 0.994 2313 E CA 1.092 57.535 56.400 0.072 0.000 0.801 2313 E CB -0.263 29.459 29.700 0.037 0.000 0.743 2313 E HN 0.530 nan 8.360 nan 0.000 0.453 2314 E N 0.493 120.746 120.200 0.089 0.000 2.047 2314 E HA -0.091 4.260 4.350 0.000 0.000 0.191 2314 E C 1.965 178.615 176.600 0.083 0.000 0.987 2314 E CA 1.098 57.546 56.400 0.080 0.000 0.799 2314 E CB -0.325 29.419 29.700 0.074 0.000 0.752 2314 E HN 0.180 nan 8.360 nan 0.000 0.449 2315 A N 0.263 123.139 122.820 0.093 0.000 1.917 2315 A HA -0.245 4.075 4.320 0.000 0.000 0.219 2315 A C 2.237 179.868 177.584 0.078 0.000 1.182 2315 A CA 1.835 53.922 52.037 0.083 0.000 0.633 2315 A CB -1.048 18.006 19.000 0.090 0.000 0.819 2315 A HN 0.455 nan 8.150 nan 0.000 0.448 2316 Y N 0.364 120.657 120.300 -0.012 0.000 2.352 2316 Y HA -0.130 4.420 4.550 0.000 0.000 0.292 2316 Y C 2.072 177.961 175.900 -0.018 0.000 1.136 2316 Y CA 1.907 59.989 58.100 -0.030 0.000 1.227 2316 Y CB 0.069 38.513 38.460 -0.028 0.000 0.991 2316 Y HN 0.133 nan 8.280 nan 0.000 0.545 2317 K N 0.203 120.582 120.400 -0.035 0.000 2.076 2317 K HA -0.067 4.253 4.320 0.000 0.000 0.204 2317 K C 2.086 178.620 176.600 -0.109 0.000 1.051 2317 K CA 1.103 57.334 56.287 -0.092 0.000 0.949 2317 K CB -0.359 32.151 32.500 0.017 0.000 0.726 2317 K HN 0.243 nan 8.250 nan 0.000 0.443 2318 R N 0.035 120.502 120.500 -0.054 0.000 2.323 2318 R HA -0.021 4.319 4.340 0.000 0.000 0.198 2318 R C 0.432 176.707 176.300 -0.042 0.000 0.988 2318 R CA 0.718 56.798 56.100 -0.032 0.000 1.041 2318 R CB -0.052 30.250 30.300 0.004 0.000 0.926 2318 R HN 0.403 nan 8.270 nan 0.000 0.476 2319 G N 0.331 109.073 108.800 -0.097 0.000 2.176 2319 G HA2 -0.245 3.715 3.960 0.000 0.000 0.252 2319 G HA3 -0.245 3.715 3.960 0.000 0.000 0.252 2319 G C 0.362 175.271 174.900 0.015 0.000 1.024 2319 G CA 0.293 45.350 45.100 -0.072 0.000 0.755 2319 G HN 0.342 nan 8.290 nan 0.000 0.507 2320 L N -1.230 119.997 121.223 0.006 0.000 2.529 2320 L HA 0.486 4.826 4.340 0.000 0.000 0.223 2320 L C 1.070 177.945 176.870 0.008 0.000 1.113 2320 L CA 0.378 55.260 54.840 0.071 0.000 0.861 2320 L CB 0.662 42.764 42.059 0.072 0.000 1.012 2320 L HN 0.279 nan 8.230 nan 0.000 0.461 2321 V N -0.563 119.233 119.914 -0.196 0.000 2.971 2321 V HA 0.722 4.842 4.120 0.000 0.000 0.309 2321 V C -0.044 175.638 176.094 -0.687 0.000 1.130 2321 V CA -0.649 61.380 62.300 -0.451 0.000 0.964 2321 V CB 1.963 33.751 31.823 -0.058 0.000 1.029 2321 V HN 0.063 nan 8.190 nan 0.000 0.427 2322 G N 3.513 111.646 108.800 -1.113 0.000 2.606 2322 G HA2 0.391 4.351 3.960 0.000 0.000 0.252 2322 G HA3 0.391 4.351 3.960 0.000 0.000 0.252 2322 G C 0.529 175.396 174.900 -0.054 0.000 1.206 2322 G CA -0.167 44.600 45.100 -0.554 0.000 0.861 2322 G HN 0.766 nan 8.290 nan 0.000 0.561 2323 I N 0.238 120.850 120.570 0.070 0.000 2.394 2323 I HA -0.045 4.125 4.170 0.000 0.000 0.251 2323 I C 2.390 178.502 176.117 -0.007 0.000 1.136 2323 I CA 1.034 62.441 61.300 0.178 0.000 1.425 2323 I CB -0.431 37.667 38.000 0.163 0.000 1.079 2323 I HN 0.579 nan 8.210 nan 0.000 0.425 2324 E N 0.123 120.254 120.200 -0.115 0.000 2.208 2324 E HA -0.107 4.243 4.350 0.000 0.000 0.193 2324 E C 1.662 178.224 176.600 -0.063 0.000 0.988 2324 E CA 1.125 57.425 56.400 -0.166 0.000 0.828 2324 E CB -0.511 28.994 29.700 -0.326 0.000 0.763 2324 E HN 0.366 nan 8.360 nan 0.000 0.478 2325 F N 1.148 121.105 119.950 0.011 0.000 2.446 2325 F HA 0.232 4.759 4.527 0.000 0.000 0.292 2325 F C 2.024 177.804 175.800 -0.033 0.000 1.096 2325 F CA 0.035 58.034 58.000 -0.002 0.000 1.438 2325 F CB -0.496 38.507 39.000 0.004 0.000 1.107 2325 F HN -0.069 nan 8.300 nan 0.000 0.546 2326 K N 0.974 121.439 120.400 0.108 0.000 2.148 2326 K HA -0.347 3.973 4.320 0.000 0.000 0.213 2326 K C 1.980 178.549 176.600 -0.053 0.000 1.050 2326 K CA 2.348 58.611 56.287 -0.039 0.000 0.932 2326 K CB -0.210 32.121 32.500 -0.281 0.000 0.717 2326 K HN 0.236 nan 8.250 nan 0.000 0.462 2327 E N 0.383 120.563 120.200 -0.033 0.000 2.106 2327 E HA -0.120 4.230 4.350 0.000 0.000 0.192 2327 E C 1.616 178.220 176.600 0.006 0.000 0.984 2327 E CA 1.513 57.897 56.400 -0.028 0.000 0.806 2327 E CB 0.203 29.893 29.700 -0.017 0.000 0.750 2327 E HN 0.342 nan 8.360 nan 0.000 0.458 2328 K N -0.245 120.182 120.400 0.045 0.000 2.137 2328 K HA 0.060 4.380 4.320 0.000 0.000 0.202 2328 K C 1.999 178.622 176.600 0.039 0.000 1.052 2328 K CA 0.838 57.160 56.287 0.060 0.000 0.961 2328 K CB 0.001 32.553 32.500 0.085 0.000 0.741 2328 K HN 0.168 nan 8.250 nan 0.000 0.452 2329 L N 0.824 122.065 121.223 0.030 0.000 2.456 2329 L HA -0.099 4.241 4.340 0.000 0.000 0.224 2329 L C 1.766 178.623 176.870 -0.022 0.000 1.148 2329 L CA 0.233 55.078 54.840 0.007 0.000 0.825 2329 L CB -0.197 41.874 42.059 0.020 0.000 0.937 2329 L HN 0.118 nan 8.230 nan 0.000 0.450 2330 L N -1.238 119.965 121.223 -0.032 0.000 2.446 2330 L HA 0.023 4.363 4.340 0.000 0.000 0.219 2330 L C 2.272 179.092 176.870 -0.084 0.000 1.116 2330 L CA 1.243 56.046 54.840 -0.062 0.000 0.844 2330 L CB -0.114 41.904 42.059 -0.068 0.000 0.970 2330 L HN 0.059 nan 8.230 nan 0.000 0.457 2331 S N -1.135 114.531 115.700 -0.057 0.000 2.475 2331 S HA 0.154 4.624 4.470 0.000 0.000 0.224 2331 S C 1.930 176.478 174.600 -0.086 0.000 1.042 2331 S CA 0.566 58.723 58.200 -0.071 0.000 0.935 2331 S CB 0.075 63.281 63.200 0.010 0.000 0.801 2331 S HN 0.397 nan 8.310 nan 0.000 0.509 2332 A N 1.345 124.139 122.820 -0.044 0.000 2.167 2332 A HA 0.053 4.373 4.320 0.000 0.000 0.214 2332 A C 1.759 179.295 177.584 -0.080 0.000 1.151 2332 A CA 0.862 52.874 52.037 -0.041 0.000 0.735 2332 A CB -0.342 18.656 19.000 -0.003 0.000 0.802 2332 A HN 0.538 nan 8.150 nan 0.000 0.467 2333 E N -0.204 119.924 120.200 -0.119 0.000 2.478 2333 E HA 0.012 4.362 4.350 0.000 0.000 0.194 2333 E C 1.639 178.111 176.600 -0.213 0.000 1.045 2333 E CA -0.072 56.240 56.400 -0.147 0.000 0.868 2333 E CB -0.014 29.608 29.700 -0.129 0.000 0.885 2333 E HN 0.564 nan 8.360 nan 0.000 0.505 2334 R N -0.298 120.004 120.500 -0.330 0.000 2.307 2334 R HA 0.094 4.434 4.340 0.000 0.000 0.199 2334 R C 1.632 177.665 176.300 -0.446 0.000 1.000 2334 R CA 0.627 56.371 56.100 -0.593 0.000 1.023 2334 R CB 0.219 29.826 30.300 -1.154 0.000 0.908 2334 R HN 0.036 nan 8.270 nan 0.000 0.473 2335 A N 0.272 123.022 122.820 -0.116 0.000 2.278 2335 A HA 0.096 4.416 4.320 0.000 0.000 0.212 2335 A C 1.589 179.148 177.584 -0.042 0.000 1.213 2335 A CA 0.348 52.453 52.037 0.114 0.000 0.840 2335 A CB 0.300 19.354 19.000 0.090 0.000 0.866 2335 A HN 0.069 nan 8.150 nan 0.000 0.489 2336 V N -1.237 118.605 119.914 -0.119 0.000 2.948 2336 V HA -0.035 4.085 4.120 0.000 0.000 0.234 2336 V C 2.428 178.437 176.094 -0.142 0.000 1.205 2336 V CA 1.816 64.028 62.300 -0.147 0.000 1.234 2336 V CB -0.052 31.657 31.823 -0.190 0.000 1.020 2336 V HN 0.637 nan 8.190 nan 0.000 0.491 2337 T N -1.936 112.525 114.554 -0.155 0.000 3.060 2337 T HA 0.504 4.854 4.350 0.000 0.000 0.249 2337 T C 0.878 175.505 174.700 -0.121 0.000 1.079 2337 T CA 0.562 62.584 62.100 -0.131 0.000 1.013 2337 T CB 0.397 69.187 68.868 -0.130 0.000 0.975 2337 T HN 1.241 nan 8.240 nan 0.000 0.518 2338 G N 0.305 109.023 108.800 -0.137 0.000 2.650 2338 G HA2 0.069 4.029 3.960 0.000 0.000 0.686 2338 G HA3 0.069 4.029 3.960 0.000 0.000 0.686 2338 G C -1.049 173.748 174.900 -0.171 0.000 1.205 2338 G CA -0.958 44.108 45.100 -0.057 0.000 0.781 2338 G HN 0.300 nan 8.290 nan 0.000 0.648 2339 Y N 0.444 120.717 120.300 -0.045 0.000 2.612 2339 Y HA 0.700 5.250 4.550 0.000 0.000 0.334 2339 Y C 1.037 176.923 175.900 -0.023 0.000 1.227 2339 Y CA -0.745 57.334 58.100 -0.034 0.000 1.356 2339 Y CB 1.127 39.568 38.460 -0.031 0.000 1.534 2339 Y HN 0.745 nan 8.280 nan 0.000 0.576 2340 N N 0.536 119.326 118.700 0.149 0.000 2.284 2340 N HA 0.085 4.825 4.740 0.000 0.000 0.300 2340 N C -1.969 173.584 175.510 0.071 0.000 1.047 2340 N CA -0.518 52.578 53.050 0.077 0.000 0.821 2340 N CB 1.397 39.907 38.487 0.037 0.000 1.337 2340 N HN 0.613 nan 8.380 nan 0.000 0.482 2341 D N 3.862 124.291 120.400 0.048 0.000 2.352 2341 D HA 0.210 4.850 4.640 0.000 0.000 0.245 2341 D C -1.605 174.708 176.300 0.021 0.000 1.224 2341 D CA -1.985 52.033 54.000 0.031 0.000 0.879 2341 D CB 1.452 42.266 40.800 0.025 0.000 1.057 2341 D HN 0.388 nan 8.370 nan 0.000 0.491 2342 P HA -0.164 nan 4.420 nan 0.000 0.218 2342 P C -0.038 177.267 177.300 0.008 0.000 1.150 2342 P CA 1.135 64.243 63.100 0.013 0.000 0.841 2342 P CB 0.306 32.011 31.700 0.009 0.000 0.784 2343 E N -1.745 118.458 120.200 0.006 0.000 2.220 2343 E HA 0.265 4.616 4.350 0.000 0.000 0.256 2343 E C 0.156 176.760 176.600 0.007 0.000 0.881 2343 E CA -0.275 56.128 56.400 0.005 0.000 0.766 2343 E CB 0.830 30.530 29.700 0.001 0.000 1.187 2343 E HN -0.177 nan 8.360 nan 0.000 0.419 2344 T N 2.333 116.892 114.554 0.008 0.000 5.723 2344 T HA -0.175 4.175 4.350 0.000 0.000 0.271 2344 T C 0.829 175.537 174.700 0.013 0.000 2.203 2344 T CA 1.481 63.587 62.100 0.010 0.000 3.766 2344 T CB -1.486 67.389 68.868 0.011 0.000 0.565 2344 T HN 0.991 nan 8.240 nan 0.000 0.741 2345 G N 2.112 110.921 108.800 0.014 0.000 2.356 2345 G HA2 -0.283 3.677 3.960 0.000 0.000 0.296 2345 G HA3 -0.283 3.677 3.960 0.000 0.000 0.296 2345 G C -0.306 174.605 174.900 0.019 0.000 1.022 2345 G CA 0.750 45.860 45.100 0.016 0.000 0.961 2345 G HN 0.783 nan 8.290 nan 0.000 0.510 2346 N N -0.563 118.151 118.700 0.025 0.000 2.362 2346 N HA 0.398 5.138 4.740 0.000 0.000 0.298 2346 N C 0.803 176.338 175.510 0.042 0.000 1.048 2346 N CA -0.726 52.342 53.050 0.031 0.000 0.858 2346 N CB 1.112 39.619 38.487 0.032 0.000 1.218 2346 N HN 0.179 nan 8.380 nan 0.000 0.488 2347 I N 3.976 124.570 120.570 0.041 0.000 2.872 2347 I HA -0.083 4.087 4.170 0.000 0.000 0.287 2347 I C 0.857 177.017 176.117 0.072 0.000 1.197 2347 I CA 0.549 61.877 61.300 0.047 0.000 1.390 2347 I CB -0.339 37.678 38.000 0.028 0.000 1.400 2347 I HN 0.348 nan 8.210 nan 0.000 0.544 2348 I N 2.971 123.597 120.570 0.094 0.000 2.910 2348 I HA 0.559 4.729 4.170 0.000 0.000 0.310 2348 I C 0.223 176.407 176.117 0.111 0.000 1.043 2348 I CA -0.640 60.722 61.300 0.104 0.000 1.053 2348 I CB 1.953 39.995 38.000 0.070 0.000 1.242 2348 I HN 0.408 nan 8.210 nan 0.000 0.452 2349 S N 2.224 117.986 115.700 0.103 0.000 2.600 2349 S HA 0.154 4.624 4.470 0.000 0.000 0.265 2349 S C 0.859 175.481 174.600 0.036 0.000 1.325 2349 S CA -0.396 57.832 58.200 0.047 0.000 1.002 2349 S CB 0.933 64.207 63.200 0.124 0.000 0.921 2349 S HN 0.738 nan 8.310 nan 0.000 0.554 2350 L N 4.566 125.807 121.223 0.029 0.000 2.042 2350 L HA -0.013 4.327 4.340 0.000 0.000 0.210 2350 L C 1.871 178.715 176.870 -0.044 0.000 1.076 2350 L CA 2.148 56.903 54.840 -0.142 0.000 0.749 2350 L CB -1.174 40.883 42.059 -0.003 0.000 0.893 2350 L HN 0.890 nan 8.230 nan 0.000 0.432 2351 F N 0.269 120.201 119.950 -0.030 0.000 2.069 2351 F HA -0.317 4.210 4.527 0.000 0.000 0.298 2351 F C 2.427 178.236 175.800 0.015 0.000 1.113 2351 F CA 1.848 59.877 58.000 0.048 0.000 1.214 2351 F CB -0.105 39.002 39.000 0.179 0.000 0.978 2351 F HN 0.250 nan 8.300 nan 0.000 0.474 2352 Q N 0.279 120.012 119.800 -0.112 0.000 2.291 2352 Q HA -0.164 4.177 4.340 0.000 0.000 0.206 2352 Q C 2.202 178.087 176.000 -0.191 0.000 0.976 2352 Q CA 1.064 56.725 55.803 -0.237 0.000 0.875 2352 Q CB -0.382 28.317 28.738 -0.064 0.000 0.927 2352 Q HN 0.564 nan 8.270 nan 0.000 0.450 2353 A N 0.322 123.024 122.820 -0.195 0.000 2.067 2353 A HA -0.011 4.309 4.320 0.000 0.000 0.217 2353 A C 1.900 179.362 177.584 -0.203 0.000 1.156 2353 A CA 0.641 52.520 52.037 -0.263 0.000 0.683 2353 A CB -0.145 18.495 19.000 -0.601 0.000 0.808 2353 A HN 0.251 nan 8.150 nan 0.000 0.455 2354 M N -0.541 118.972 119.600 -0.145 0.000 2.394 2354 M HA 0.006 4.486 4.480 0.000 0.000 0.266 2354 M C 1.136 177.387 176.300 -0.081 0.000 1.098 2354 M CA 0.581 55.842 55.300 -0.065 0.000 1.149 2354 M CB -0.107 32.529 32.600 0.060 0.000 1.369 2354 M HN 0.264 nan 8.290 nan 0.000 0.450 2355 N N 0.660 119.258 118.700 -0.171 0.000 2.494 2355 N HA -0.040 4.701 4.740 0.000 0.000 0.182 2355 N C 0.747 176.181 175.510 -0.126 0.000 1.076 2355 N CA 0.885 53.824 53.050 -0.185 0.000 0.908 2355 N CB 0.060 38.344 38.487 -0.338 0.000 0.967 2355 N HN 0.379 nan 8.380 nan 0.000 0.449 2356 K N 0.499 120.833 120.400 -0.110 0.000 2.413 2356 K HA 0.137 4.458 4.320 0.000 0.000 0.204 2356 K C -0.613 175.954 176.600 -0.056 0.000 1.041 2356 K CA -0.078 56.164 56.287 -0.076 0.000 1.082 2356 K CB 0.826 33.283 32.500 -0.071 0.000 0.871 2356 K HN 0.048 nan 8.250 nan 0.000 0.535 2357 E N 0.686 120.852 120.200 -0.056 0.000 2.271 2357 E HA -0.194 4.156 4.350 0.000 0.000 0.223 2357 E C -0.096 176.485 176.600 -0.032 0.000 1.223 2357 E CA -0.055 56.323 56.400 -0.036 0.000 0.704 2357 E CB -1.089 28.597 29.700 -0.022 0.000 1.194 2357 E HN 0.138 nan 8.360 nan 0.000 0.375 2358 L N 0.071 121.262 121.223 -0.052 0.000 2.640 2358 L HA 0.359 4.699 4.340 0.000 0.000 0.230 2358 L C 0.499 177.353 176.870 -0.027 0.000 1.123 2358 L CA 0.592 55.411 54.840 -0.036 0.000 0.900 2358 L CB 0.531 42.562 42.059 -0.046 0.000 1.146 2358 L HN 0.332 nan 8.230 nan 0.000 0.484 2359 I N -3.860 116.688 120.570 -0.037 0.000 2.842 2359 I HA 0.272 4.442 4.170 0.000 0.000 0.296 2359 I C -0.851 175.276 176.117 0.015 0.000 1.538 2359 I CA -1.129 60.169 61.300 -0.004 0.000 0.994 2359 I CB 1.683 39.652 38.000 -0.052 0.000 1.372 2359 I HN -0.012 nan 8.210 nan 0.000 0.478 2360 E N 3.866 124.105 120.200 0.065 0.000 2.384 2360 E HA 0.168 4.518 4.350 0.000 0.000 0.266 2360 E C -0.171 176.473 176.600 0.075 0.000 1.012 2360 E CA -0.668 55.774 56.400 0.069 0.000 0.901 2360 E CB 1.127 30.877 29.700 0.083 0.000 0.967 2360 E HN 0.532 nan 8.360 nan 0.000 0.435 2361 K N 2.581 123.017 120.400 0.060 0.000 2.442 2361 K HA -0.108 4.212 4.320 0.000 0.000 0.198 2361 K C 1.672 178.323 176.600 0.085 0.000 1.044 2361 K CA 1.088 57.416 56.287 0.069 0.000 0.948 2361 K CB -0.118 32.419 32.500 0.062 0.000 0.762 2361 K HN 0.799 nan 8.250 nan 0.000 0.472 2362 G N -0.292 108.561 108.800 0.089 0.000 2.426 2362 G HA2 -0.206 3.754 3.960 0.000 0.000 0.214 2362 G HA3 -0.206 3.754 3.960 0.000 0.000 0.214 2362 G C 1.281 176.263 174.900 0.136 0.000 1.156 2362 G CA 0.306 45.461 45.100 0.091 0.000 0.802 2362 G HN 0.404 nan 8.290 nan 0.000 0.534 2363 H N 0.145 119.225 119.070 0.016 0.000 2.372 2363 H HA 0.009 4.565 4.556 0.000 0.000 0.301 2363 H C 2.767 178.112 175.328 0.028 0.000 1.065 2363 H CA 0.766 56.819 56.048 0.009 0.000 1.364 2363 H CB 0.020 29.786 29.762 0.006 0.000 1.406 2363 H HN 0.327 nan 8.280 nan 0.000 0.521 2364 G N 0.920 109.758 108.800 0.063 0.000 2.402 2364 G HA2 -0.207 3.753 3.960 0.000 0.000 0.216 2364 G HA3 -0.207 3.753 3.960 0.000 0.000 0.216 2364 G C 1.724 176.657 174.900 0.056 0.000 1.162 2364 G CA 0.729 45.824 45.100 -0.008 0.000 0.777 2364 G HN 0.362 nan 8.290 nan 0.000 0.539 2365 I N -0.042 120.586 120.570 0.097 0.000 2.286 2365 I HA -0.151 4.019 4.170 0.000 0.000 0.248 2365 I C 2.968 179.167 176.117 0.136 0.000 1.115 2365 I CA 0.921 62.292 61.300 0.119 0.000 1.392 2365 I CB -0.122 37.950 38.000 0.120 0.000 1.065 2365 I HN 0.078 nan 8.210 nan 0.000 0.418 2366 R N 0.396 120.994 120.500 0.163 0.000 2.152 2366 R HA -0.071 4.269 4.340 0.000 0.000 0.232 2366 R C 2.118 178.556 176.300 0.231 0.000 1.117 2366 R CA 1.068 57.319 56.100 0.252 0.000 0.981 2366 R CB -0.038 30.372 30.300 0.184 0.000 0.870 2366 R HN 0.351 nan 8.270 nan 0.000 0.451 2367 L N -0.492 120.795 121.223 0.107 0.000 2.209 2367 L HA -0.026 4.314 4.340 0.000 0.000 0.207 2367 L C 1.878 178.721 176.870 -0.045 0.000 1.094 2367 L CA 0.595 55.448 54.840 0.021 0.000 0.790 2367 L CB -0.212 41.835 42.059 -0.019 0.000 0.932 2367 L HN 0.191 nan 8.230 nan 0.000 0.447 2368 L N 0.249 121.459 121.223 -0.022 0.000 2.093 2368 L HA -0.191 4.149 4.340 0.000 0.000 0.208 2368 L C 2.651 179.455 176.870 -0.111 0.000 1.085 2368 L CA 1.427 56.216 54.840 -0.085 0.000 0.755 2368 L CB -0.493 41.551 42.059 -0.025 0.000 0.904 2368 L HN 0.402 nan 8.230 nan 0.000 0.435 2369 E N 0.568 120.748 120.200 -0.033 0.000 2.208 2369 E HA -0.144 4.206 4.350 0.000 0.000 0.193 2369 E C 2.167 178.688 176.600 -0.132 0.000 0.988 2369 E CA 0.944 57.322 56.400 -0.035 0.000 0.828 2369 E CB -0.192 29.538 29.700 0.051 0.000 0.763 2369 E HN 0.391 nan 8.360 nan 0.000 0.478 2370 A N 1.564 124.218 122.820 -0.277 0.000 1.898 2370 A HA -0.212 4.108 4.320 0.000 0.000 0.216 2370 A C 2.205 179.572 177.584 -0.362 0.000 1.181 2370 A CA 1.559 53.188 52.037 -0.680 0.000 0.620 2370 A CB -0.440 18.105 19.000 -0.760 0.000 0.819 2370 A HN 0.266 nan 8.150 nan 0.000 0.442 2371 Q N -0.755 118.899 119.800 -0.244 0.000 2.079 2371 Q HA -0.065 4.275 4.340 0.000 0.000 0.200 2371 Q C 1.983 177.874 176.000 -0.181 0.000 0.974 2371 Q CA 1.081 56.766 55.803 -0.196 0.000 0.840 2371 Q CB -0.201 28.418 28.738 -0.198 0.000 0.898 2371 Q HN 0.566 nan 8.270 nan 0.000 0.430 2372 I N 0.617 121.072 120.570 -0.192 0.000 2.361 2372 I HA -0.185 3.985 4.170 0.000 0.000 0.251 2372 I C 1.972 178.027 176.117 -0.104 0.000 1.133 2372 I CA 1.010 62.206 61.300 -0.174 0.000 1.413 2372 I CB -1.040 36.861 38.000 -0.165 0.000 1.073 2372 I HN 0.088 nan 8.210 nan 0.000 0.424 2373 A N 0.183 122.969 122.820 -0.057 0.000 2.252 2373 A HA 0.018 4.338 4.320 0.000 0.000 0.207 2373 A C 1.396 178.982 177.584 0.003 0.000 1.194 2373 A CA 1.177 53.217 52.037 0.005 0.000 0.809 2373 A CB -0.797 18.277 19.000 0.124 0.000 0.814 2373 A HN 0.502 nan 8.150 nan 0.000 0.482 2374 T N -6.300 108.225 114.554 -0.048 0.000 3.516 2374 T HA 0.511 4.861 4.350 0.000 0.000 0.300 2374 T C 0.833 175.460 174.700 -0.123 0.000 0.995 2374 T CA 0.713 62.781 62.100 -0.052 0.000 0.982 2374 T CB 0.130 68.993 68.868 -0.008 0.000 1.199 2374 T HN 1.361 nan 8.240 nan 0.000 0.481 2375 G N -0.354 108.338 108.800 -0.182 0.000 2.545 2375 G HA2 0.398 4.358 3.960 0.000 0.000 0.195 2375 G HA3 0.398 4.358 3.960 0.000 0.000 0.195 2375 G C 0.593 175.305 174.900 -0.313 0.000 1.009 2375 G CA 0.097 45.009 45.100 -0.314 0.000 0.703 2375 G HN 1.889 nan 8.290 nan 0.000 0.479 2376 G N -0.661 108.011 108.800 -0.213 0.000 2.353 2376 G HA2 0.487 4.447 3.960 0.000 0.000 0.424 2376 G HA3 0.487 4.447 3.960 0.000 0.000 0.424 2376 G C -0.295 174.478 174.900 -0.213 0.000 1.320 2376 G CA -0.047 44.936 45.100 -0.194 0.000 0.995 2376 G HN 1.762 nan 8.290 nan 0.000 0.580 2377 I N -0.785 119.624 120.570 -0.268 0.000 2.634 2377 I HA 0.649 4.819 4.170 0.000 0.000 0.284 2377 I C 0.649 176.651 176.117 -0.193 0.000 1.124 2377 I CA -0.549 60.581 61.300 -0.282 0.000 1.417 2377 I CB 0.414 38.176 38.000 -0.396 0.000 1.396 2377 I HN 0.548 nan 8.210 nan 0.000 0.571 2378 I N 3.819 124.274 120.570 -0.191 0.000 2.532 2378 I HA 0.213 4.383 4.170 0.000 0.000 0.292 2378 I C -0.018 175.943 176.117 -0.259 0.000 1.014 2378 I CA -0.352 60.834 61.300 -0.191 0.000 1.340 2378 I CB 0.899 38.801 38.000 -0.163 0.000 1.422 2378 I HN 0.669 nan 8.210 nan 0.000 0.528 2379 D N 6.644 126.868 120.400 -0.293 0.000 2.280 2379 D HA 0.251 4.891 4.640 0.000 0.000 0.236 2379 D C -1.990 174.147 176.300 -0.271 0.000 1.082 2379 D CA -2.290 51.493 54.000 -0.362 0.000 0.834 2379 D CB 2.110 42.745 40.800 -0.274 0.000 1.100 2379 D HN 0.118 nan 8.370 nan 0.000 0.486 2380 P HA -0.113 nan 4.420 nan 0.000 0.215 2380 P C 1.175 178.422 177.300 -0.089 0.000 1.157 2380 P CA 1.130 64.127 63.100 -0.171 0.000 0.863 2380 P CB 0.423 32.026 31.700 -0.162 0.000 0.787 2381 K N -0.329 120.034 120.400 -0.061 0.000 2.031 2381 K HA -0.059 4.261 4.320 0.000 0.000 0.205 2381 K C 1.798 178.425 176.600 0.045 0.000 1.049 2381 K CA 1.231 57.528 56.287 0.016 0.000 0.939 2381 K CB -0.627 31.915 32.500 0.071 0.000 0.717 2381 K HN 0.206 nan 8.250 nan 0.000 0.438 2382 E N 0.247 120.480 120.200 0.056 0.000 2.318 2382 E HA -0.004 4.346 4.350 0.000 0.000 0.193 2382 E C 0.201 176.924 176.600 0.205 0.000 0.998 2382 E CA 0.077 56.568 56.400 0.153 0.000 0.859 2382 E CB 0.062 29.907 29.700 0.241 0.000 0.812 2382 E HN 0.054 nan 8.360 nan 0.000 0.492 2383 S N 0.507 116.253 115.700 0.077 0.000 3.884 2383 S HA -0.180 4.290 4.470 0.000 0.000 0.374 2383 S C -0.562 174.150 174.600 0.187 0.000 0.971 2383 S CA 1.141 59.387 58.200 0.077 0.000 1.152 2383 S CB -1.770 61.479 63.200 0.081 0.000 0.877 2383 S HN 0.695 nan 8.310 nan 0.000 0.491 2384 H N -1.642 117.439 119.070 0.019 0.000 2.917 2384 H HA 0.781 5.337 4.556 0.000 0.000 0.299 2384 H C -0.611 174.749 175.328 0.054 0.000 1.418 2384 H CA -1.394 54.685 56.048 0.051 0.000 1.138 2384 H CB 0.274 30.084 29.762 0.080 0.000 1.830 2384 H HN 0.070 nan 8.280 nan 0.000 0.514 2385 R N 0.593 121.201 120.500 0.179 0.000 2.582 2385 R HA 0.513 4.853 4.340 0.000 0.000 0.271 2385 R C -0.711 175.735 176.300 0.243 0.000 1.078 2385 R CA -0.718 55.442 56.100 0.100 0.000 1.127 2385 R CB 0.150 30.451 30.300 0.001 0.000 1.038 2385 R HN 0.647 nan 8.270 nan 0.000 0.500 2386 L N 2.508 123.804 121.223 0.121 0.000 2.431 2386 L HA 0.433 4.774 4.340 0.000 0.000 0.266 2386 L C -2.248 174.704 176.870 0.138 0.000 0.978 2386 L CA -2.207 52.716 54.840 0.139 0.000 0.822 2386 L CB 2.558 44.624 42.059 0.012 0.000 1.310 2386 L HN 0.280 nan 8.230 nan 0.000 0.409 2387 P HA -0.027 nan 4.420 nan 0.000 0.267 2387 P C 0.767 178.040 177.300 -0.045 0.000 1.200 2387 P CA -0.115 63.042 63.100 0.095 0.000 0.772 2387 P CB 0.972 32.705 31.700 0.055 0.000 0.855 2388 V N 2.860 122.705 119.914 -0.115 0.000 2.380 2388 V HA -0.276 3.844 4.120 0.000 0.000 0.251 2388 V C 1.653 177.388 176.094 -0.598 0.000 1.063 2388 V CA 2.680 64.793 62.300 -0.311 0.000 1.055 2388 V CB -0.956 30.711 31.823 -0.260 0.000 0.657 2388 V HN 0.694 nan 8.190 nan 0.000 0.455 2389 D N -0.507 119.694 120.400 -0.332 0.000 2.144 2389 D HA -0.186 4.454 4.640 0.000 0.000 0.200 2389 D C 2.054 178.318 176.300 -0.060 0.000 0.978 2389 D CA 1.401 55.288 54.000 -0.189 0.000 0.833 2389 D CB -0.360 40.431 40.800 -0.015 0.000 0.961 2389 D HN 0.454 nan 8.370 nan 0.000 0.470 2390 I N 1.903 122.446 120.570 -0.044 0.000 2.353 2390 I HA -0.090 4.080 4.170 0.000 0.000 0.248 2390 I C 2.842 178.981 176.117 0.037 0.000 1.119 2390 I CA 0.501 61.809 61.300 0.014 0.000 1.417 2390 I CB -1.493 36.522 38.000 0.026 0.000 1.078 2390 I HN 0.004 nan 8.210 nan 0.000 0.421 2391 A N 0.431 123.259 122.820 0.013 0.000 1.940 2391 A HA -0.229 4.091 4.320 0.000 0.000 0.219 2391 A C 2.188 179.892 177.584 0.201 0.000 1.176 2391 A CA 1.500 53.605 52.037 0.114 0.000 0.631 2391 A CB -0.843 18.188 19.000 0.051 0.000 0.814 2391 A HN 0.342 nan 8.150 nan 0.000 0.446 2392 Y N -0.337 120.027 120.300 0.105 0.000 2.163 2392 Y HA -0.091 4.459 4.550 0.000 0.000 0.288 2392 Y C 2.320 178.231 175.900 0.018 0.000 1.136 2392 Y CA 1.206 59.344 58.100 0.063 0.000 1.147 2392 Y CB -0.861 37.621 38.460 0.036 0.000 0.987 2392 Y HN 0.312 nan 8.280 nan 0.000 0.509 2393 K N 0.428 120.930 120.400 0.169 0.000 2.152 2393 K HA -0.132 4.188 4.320 0.000 0.000 0.206 2393 K C 1.672 178.257 176.600 -0.025 0.000 1.048 2393 K CA 1.296 57.621 56.287 0.063 0.000 0.933 2393 K CB -0.021 32.506 32.500 0.046 0.000 0.721 2393 K HN 0.192 nan 8.250 nan 0.000 0.447 2394 R N -0.880 119.557 120.500 -0.106 0.000 2.334 2394 R HA 0.115 4.455 4.340 0.000 0.000 0.220 2394 R C 0.417 176.361 176.300 -0.594 0.000 0.917 2394 R CA 0.502 56.381 56.100 -0.368 0.000 1.073 2394 R CB 0.572 30.591 30.300 -0.468 0.000 1.056 2394 R HN 0.330 nan 8.270 nan 0.000 0.506 2395 G N 1.110 109.796 108.800 -0.190 0.000 2.295 2395 G HA2 -0.295 3.665 3.960 0.000 0.000 0.287 2395 G HA3 -0.295 3.665 3.960 0.000 0.000 0.287 2395 G C 0.038 175.097 174.900 0.265 0.000 1.055 2395 G CA 0.100 45.214 45.100 0.024 0.000 0.922 2395 G HN 0.581 nan 8.290 nan 0.000 0.503 2396 Y N -1.792 118.769 120.300 0.435 0.000 2.641 2396 Y HA 0.587 5.137 4.550 0.000 0.000 0.248 2396 Y C 0.627 176.710 175.900 0.306 0.000 1.170 2396 Y CA -0.767 57.602 58.100 0.449 0.000 1.201 2396 Y CB 0.696 39.274 38.460 0.196 0.000 1.232 2396 Y HN 0.357 nan 8.280 nan 0.000 0.537 2397 F N 0.697 120.605 119.950 -0.071 0.000 3.032 2397 F HA 0.213 4.740 4.527 0.000 0.000 0.331 2397 F C -1.925 173.724 175.800 -0.252 0.000 1.125 2397 F CA -1.148 56.507 58.000 -0.575 0.000 0.873 2397 F CB 0.954 39.895 39.000 -0.098 0.000 1.374 2397 F HN 0.055 nan 8.300 nan 0.000 0.452 2398 N N 0.273 118.548 118.700 -0.708 0.000 3.116 2398 N HA 0.278 5.018 4.740 0.000 0.000 0.244 2398 N C -1.071 173.945 175.510 -0.824 0.000 1.485 2398 N CA -0.786 51.857 53.050 -0.677 0.000 0.884 2398 N CB 2.080 40.353 38.487 -0.358 0.000 1.415 2398 N HN 0.434 nan 8.380 nan 0.000 0.524 2399 E N 0.320 120.060 120.200 -0.766 0.000 2.208 2399 E HA -0.099 4.251 4.350 0.000 0.000 0.193 2399 E C 0.785 177.202 176.600 -0.304 0.000 0.988 2399 E CA 1.247 57.375 56.400 -0.453 0.000 0.828 2399 E CB -0.031 29.453 29.700 -0.361 0.000 0.763 2399 E HN 0.563 nan 8.360 nan 0.000 0.478 2400 E N 0.075 120.098 120.200 -0.294 0.000 2.268 2400 E HA -0.120 4.230 4.350 0.000 0.000 0.195 2400 E C 1.670 178.154 176.600 -0.193 0.000 0.995 2400 E CA 0.594 56.883 56.400 -0.185 0.000 0.836 2400 E CB 0.011 29.636 29.700 -0.126 0.000 0.763 2400 E HN 0.268 nan 8.360 nan 0.000 0.491 2401 L N 0.161 121.168 121.223 -0.360 0.000 2.249 2401 L HA -0.022 4.318 4.340 0.000 0.000 0.207 2401 L C 2.302 179.038 176.870 -0.223 0.000 1.090 2401 L CA 0.401 55.033 54.840 -0.346 0.000 0.802 2401 L CB 0.135 41.798 42.059 -0.660 0.000 0.947 2401 L HN -0.004 nan 8.230 nan 0.000 0.453 2402 S N -0.207 115.314 115.700 -0.298 0.000 2.368 2402 S HA -0.185 4.285 4.470 0.000 0.000 0.224 2402 S C 1.760 176.368 174.600 0.014 0.000 1.029 2402 S CA 1.180 59.373 58.200 -0.011 0.000 0.988 2402 S CB -0.166 63.059 63.200 0.042 0.000 0.838 2402 S HN 0.419 nan 8.310 nan 0.000 0.462 2403 E N 0.721 120.899 120.200 -0.038 0.000 2.153 2403 E HA -0.090 4.260 4.350 0.000 0.000 0.194 2403 E C 1.770 178.374 176.600 0.006 0.000 0.988 2403 E CA 0.895 57.286 56.400 -0.015 0.000 0.811 2403 E CB -0.260 29.419 29.700 -0.035 0.000 0.746 2403 E HN 0.521 nan 8.360 nan 0.000 0.466 2404 I N 0.630 121.205 120.570 0.008 0.000 2.546 2404 I HA -0.205 3.965 4.170 0.000 0.000 0.255 2404 I C 2.021 178.173 176.117 0.057 0.000 1.163 2404 I CA 0.712 62.032 61.300 0.032 0.000 1.457 2404 I CB -0.043 37.980 38.000 0.038 0.000 1.092 2404 I HN 0.123 nan 8.210 nan 0.000 0.434 2405 L N -0.103 121.165 121.223 0.074 0.000 2.221 2405 L HA -0.049 4.291 4.340 0.000 0.000 0.202 2405 L C 2.815 179.722 176.870 0.061 0.000 1.074 2405 L CA 1.061 55.951 54.840 0.084 0.000 0.795 2405 L CB -0.625 41.505 42.059 0.117 0.000 0.960 2405 L HN 0.264 nan 8.230 nan 0.000 0.458 2406 S N -0.850 114.883 115.700 0.055 0.000 2.368 2406 S HA -0.209 4.261 4.470 0.000 0.000 0.225 2406 S C 0.890 175.508 174.600 0.030 0.000 1.030 2406 S CA 1.167 59.391 58.200 0.040 0.000 0.999 2406 S CB -0.371 62.851 63.200 0.037 0.000 0.844 2406 S HN 0.388 nan 8.310 nan 0.000 0.459 2407 D N 3.035 123.452 120.400 0.029 0.000 2.485 2407 D HA 0.488 5.128 4.640 0.000 0.000 0.256 2407 D C -2.896 173.422 176.300 0.030 0.000 1.141 2407 D CA -2.418 51.596 54.000 0.024 0.000 0.942 2407 D CB 0.943 41.753 40.800 0.016 0.000 1.003 2407 D HN 0.174 nan 8.370 nan 0.000 0.507 2408 P HA 0.199 nan 4.420 nan 0.000 0.272 2408 P C -0.477 176.846 177.300 0.039 0.000 1.230 2408 P CA -0.398 62.728 63.100 0.044 0.000 0.788 2408 P CB 1.251 32.980 31.700 0.049 0.000 0.949 2409 S N -0.492 115.235 115.700 0.045 0.000 2.921 2409 S HA 0.383 4.853 4.470 0.000 0.000 0.315 2409 S C 0.208 174.835 174.600 0.045 0.000 1.087 2409 S CA -0.575 57.648 58.200 0.039 0.000 0.877 2409 S CB 0.441 63.662 63.200 0.035 0.000 1.340 2409 S HN 0.322 nan 8.310 nan 0.000 0.622 2410 D N 0.413 120.837 120.400 0.041 0.000 2.340 2410 D HA 0.124 4.764 4.640 0.000 0.000 0.220 2410 D C 0.110 176.439 176.300 0.048 0.000 1.039 2410 D CA 0.549 54.575 54.000 0.044 0.000 0.866 2410 D CB -0.226 40.595 40.800 0.036 0.000 0.913 2410 D HN 0.465 nan 8.370 nan 0.000 0.523 2411 D N 0.164 120.593 120.400 0.048 0.000 2.269 2411 D HA -0.046 4.594 4.640 0.000 0.000 0.220 2411 D C 1.063 177.402 176.300 0.066 0.000 0.962 2411 D CA 0.842 54.872 54.000 0.049 0.000 0.884 2411 D CB -0.317 40.509 40.800 0.044 0.000 1.023 2411 D HN -0.061 nan 8.370 nan 0.000 0.484 2412 T N 1.159 115.759 114.554 0.076 0.000 3.609 2412 T HA 0.038 4.388 4.350 0.000 0.000 0.245 2412 T C 0.748 175.525 174.700 0.127 0.000 0.980 2412 T CA 0.077 62.239 62.100 0.103 0.000 0.940 2412 T CB -0.524 68.400 68.868 0.094 0.000 1.105 2412 T HN 0.307 nan 8.240 nan 0.000 0.627 2413 K N -0.149 120.323 120.400 0.121 0.000 2.576 2413 K HA 0.405 4.725 4.320 0.000 0.000 0.209 2413 K C 1.998 178.705 176.600 0.179 0.000 1.049 2413 K CA -0.472 55.901 56.287 0.142 0.000 1.140 2413 K CB 0.129 32.691 32.500 0.104 0.000 0.871 2413 K HN 0.109 nan 8.250 nan 0.000 0.479 2414 G N 1.710 110.625 108.800 0.192 0.000 2.740 2414 G HA2 -0.283 3.677 3.960 0.000 0.000 0.224 2414 G HA3 -0.283 3.677 3.960 0.000 0.000 0.224 2414 G C 0.094 174.962 174.900 -0.054 0.000 1.156 2414 G CA 0.894 46.035 45.100 0.068 0.000 0.766 2414 G HN 0.337 nan 8.290 nan 0.000 0.623 2415 F N -0.822 119.204 119.950 0.127 0.000 2.379 2415 F HA 0.605 5.131 4.527 -0.000 0.000 0.332 2415 F C -0.135 175.762 175.800 0.163 0.000 1.096 2415 F CA -1.899 56.190 58.000 0.149 0.000 1.105 2415 F CB 1.093 40.184 39.000 0.152 0.000 1.189 2415 F HN 0.038 nan 8.300 nan 0.000 0.515 2416 F N 2.885 122.934 119.950 0.165 0.000 2.444 2416 F HA 0.308 4.835 4.527 0.000 0.000 0.342 2416 F C -0.279 175.575 175.800 0.091 0.000 1.121 2416 F CA -0.954 57.105 58.000 0.097 0.000 0.997 2416 F CB 0.709 39.737 39.000 0.046 0.000 1.130 2416 F HN 0.439 nan 8.300 nan 0.000 0.454 2417 D N 8.461 128.426 120.400 -0.725 0.000 2.339 2417 D HA 0.211 4.851 4.640 0.000 0.000 0.241 2417 D C -2.051 173.770 176.300 -0.799 0.000 1.183 2417 D CA -1.970 51.707 54.000 -0.537 0.000 0.859 2417 D CB 2.031 42.620 40.800 -0.353 0.000 1.067 2417 D HN 0.309 nan 8.370 nan 0.000 0.484 2418 P HA -0.119 nan 4.420 nan 0.000 0.215 2418 P C 1.039 178.343 177.300 0.008 0.000 1.153 2418 P CA 0.825 63.994 63.100 0.115 0.000 0.853 2418 P CB 0.426 32.237 31.700 0.185 0.000 0.788 2419 N N -1.393 117.279 118.700 -0.047 0.000 2.022 2419 N HA -0.119 4.621 4.740 0.000 0.000 0.195 2419 N C 1.890 177.367 175.510 -0.055 0.000 1.063 2419 N CA 1.823 54.855 53.050 -0.030 0.000 0.851 2419 N CB -1.494 36.976 38.487 -0.028 0.000 1.050 2419 N HN 0.053 nan 8.380 nan 0.000 0.425 2420 T N 0.311 114.805 114.554 -0.100 0.000 3.051 2420 T HA -0.119 4.231 4.350 0.000 0.000 0.269 2420 T C 0.058 174.687 174.700 -0.119 0.000 1.127 2420 T CA 0.464 62.509 62.100 -0.092 0.000 1.107 2420 T CB -0.351 68.461 68.868 -0.094 0.000 0.898 2420 T HN 0.411 nan 8.240 nan 0.000 0.517 2421 E N 1.309 121.371 120.200 -0.230 0.000 2.291 2421 E HA -0.179 4.171 4.350 0.000 0.000 0.181 2421 E C -0.307 176.164 176.600 -0.216 0.000 1.480 2421 E CA 0.676 56.911 56.400 -0.274 0.000 0.674 2421 E CB -1.082 28.671 29.700 0.088 0.000 1.108 2421 E HN 0.892 nan 8.360 nan 0.000 0.357 2422 E N 0.718 120.680 120.200 -0.396 0.000 2.458 2422 E HA 0.496 4.846 4.350 0.000 0.000 0.278 2422 E C -0.862 175.648 176.600 -0.151 0.000 1.004 2422 E CA -1.192 55.116 56.400 -0.153 0.000 0.823 2422 E CB 0.885 30.531 29.700 -0.090 0.000 1.396 2422 E HN 0.088 nan 8.360 nan 0.000 0.463 2423 N N 0.452 119.155 118.700 0.005 0.000 2.456 2423 N HA 0.597 5.337 4.740 0.000 0.000 0.296 2423 N C -0.443 175.101 175.510 0.056 0.000 1.102 2423 N CA -0.306 52.787 53.050 0.071 0.000 0.924 2423 N CB 1.602 40.161 38.487 0.120 0.000 1.186 2423 N HN 0.556 nan 8.380 nan 0.000 0.492 2424 L N -2.435 118.852 121.223 0.105 0.000 2.963 2424 L HA 0.604 4.944 4.340 0.000 0.000 0.273 2424 L C -0.133 176.827 176.870 0.150 0.000 1.078 2424 L CA -1.161 53.732 54.840 0.087 0.000 0.970 2424 L CB 1.362 43.431 42.059 0.016 0.000 1.564 2424 L HN 0.406 nan 8.230 nan 0.000 0.381 2425 T N -3.549 111.051 114.554 0.077 0.000 2.902 2425 T HA 0.319 4.669 4.350 0.000 0.000 0.280 2425 T C 0.766 175.407 174.700 -0.097 0.000 0.992 2425 T CA -0.155 61.983 62.100 0.064 0.000 1.015 2425 T CB 1.025 69.923 68.868 0.050 0.000 1.044 2425 T HN 0.598 nan 8.240 nan 0.000 0.520 2426 Y N 1.049 121.094 120.300 -0.426 0.000 2.151 2426 Y HA -0.114 4.436 4.550 -0.000 0.000 0.284 2426 Y C 2.189 177.917 175.900 -0.286 0.000 1.166 2426 Y CA 1.558 59.304 58.100 -0.590 0.000 1.163 2426 Y CB -0.258 37.827 38.460 -0.625 0.000 0.974 2426 Y HN 0.579 nan 8.280 nan 0.000 0.511 2427 L N 0.464 121.640 121.223 -0.079 0.000 2.012 2427 L HA -0.290 4.050 4.340 0.000 0.000 0.210 2427 L C 1.950 178.743 176.870 -0.129 0.000 1.073 2427 L CA 2.183 56.972 54.840 -0.085 0.000 0.748 2427 L CB -1.125 40.915 42.059 -0.031 0.000 0.891 2427 L HN 0.423 nan 8.230 nan 0.000 0.431 2428 Q N -0.730 119.007 119.800 -0.105 0.000 2.050 2428 Q HA -0.249 4.091 4.340 0.000 0.000 0.202 2428 Q C 2.172 178.089 176.000 -0.138 0.000 0.980 2428 Q CA 1.609 57.354 55.803 -0.095 0.000 0.840 2428 Q CB -0.241 28.464 28.738 -0.055 0.000 0.898 2428 Q HN 0.390 nan 8.270 nan 0.000 0.424 2429 L N 1.507 122.616 121.223 -0.190 0.000 2.017 2429 L HA -0.192 4.148 4.340 0.000 0.000 0.208 2429 L C 2.287 178.998 176.870 -0.265 0.000 1.073 2429 L CA 1.869 56.580 54.840 -0.214 0.000 0.745 2429 L CB -0.452 41.462 42.059 -0.241 0.000 0.894 2429 L HN 0.055 nan 8.230 nan 0.000 0.432 2430 K N -0.238 119.929 120.400 -0.389 0.000 2.113 2430 K HA -0.256 4.065 4.320 0.000 0.000 0.208 2430 K C 1.783 178.263 176.600 -0.200 0.000 1.047 2430 K CA 1.877 57.951 56.287 -0.355 0.000 0.928 2430 K CB -0.074 32.181 32.500 -0.408 0.000 0.716 2430 K HN 0.653 nan 8.250 nan 0.000 0.446 2431 E N -0.272 119.833 120.200 -0.159 0.000 2.427 2431 E HA -0.084 4.266 4.350 0.000 0.000 0.196 2431 E C 1.304 177.845 176.600 -0.099 0.000 1.028 2431 E CA 0.538 56.871 56.400 -0.110 0.000 0.864 2431 E CB 0.080 29.728 29.700 -0.087 0.000 0.813 2431 E HN 0.101 nan 8.360 nan 0.000 0.514 2432 R N 0.149 120.582 120.500 -0.111 0.000 2.313 2432 R HA 0.184 4.524 4.340 0.000 0.000 0.199 2432 R C -0.174 176.073 176.300 -0.088 0.000 0.958 2432 R CA 0.046 56.090 56.100 -0.092 0.000 1.047 2432 R CB -0.592 29.651 30.300 -0.094 0.000 0.955 2432 R HN 0.231 nan 8.270 nan 0.000 0.481 2433 C N 0.601 119.841 119.300 -0.101 0.000 2.351 2433 C HA 0.519 4.979 4.460 0.000 0.000 0.359 2433 C C 0.845 175.780 174.990 -0.091 0.000 1.193 2433 C CA -0.992 57.971 59.018 -0.092 0.000 2.270 2433 C CB 1.302 28.981 27.740 -0.102 0.000 2.369 2433 C HN 0.313 nan 8.230 nan 0.000 0.553 2434 I N 1.945 122.455 120.570 -0.100 0.000 2.460 2434 I HA 0.374 4.544 4.170 0.000 0.000 0.298 2434 I C 0.038 176.090 176.117 -0.108 0.000 0.989 2434 I CA -0.350 60.878 61.300 -0.120 0.000 1.173 2434 I CB 0.970 38.859 38.000 -0.185 0.000 1.338 2434 I HN 0.685 nan 8.210 nan 0.000 0.456 2435 K N 4.515 124.859 120.400 -0.094 0.000 2.107 2435 K HA 0.194 4.514 4.320 0.000 0.000 0.251 2435 K C -1.085 175.468 176.600 -0.079 0.000 1.012 2435 K CA -0.316 55.928 56.287 -0.072 0.000 0.920 2435 K CB 1.012 33.478 32.500 -0.057 0.000 1.033 2435 K HN 0.649 nan 8.250 nan 0.000 0.478 2436 D N 0.066 120.436 120.400 -0.051 0.000 2.248 2436 D HA 0.033 4.673 4.640 0.000 0.000 0.246 2436 D C 0.861 177.146 176.300 -0.025 0.000 1.027 2436 D CA -0.504 53.473 54.000 -0.038 0.000 0.853 2436 D CB 1.178 41.972 40.800 -0.010 0.000 1.243 2436 D HN 0.517 nan 8.370 nan 0.000 0.462 2437 E N 3.105 123.293 120.200 -0.020 0.000 2.033 2437 E HA -0.197 4.153 4.350 0.000 0.000 0.189 2437 E C 1.169 177.765 176.600 -0.006 0.000 0.979 2437 E CA 0.952 57.344 56.400 -0.014 0.000 0.802 2437 E CB -0.509 29.184 29.700 -0.012 0.000 0.763 2437 E HN 0.795 nan 8.360 nan 0.000 0.449 2438 E N 1.211 121.412 120.200 0.001 0.000 2.427 2438 E HA -0.059 4.291 4.350 0.000 0.000 0.196 2438 E C 1.600 178.200 176.600 0.001 0.000 1.028 2438 E CA 1.497 57.898 56.400 0.003 0.000 0.864 2438 E CB -0.150 29.555 29.700 0.009 0.000 0.813 2438 E HN 0.426 nan 8.360 nan 0.000 0.514 2439 T N -4.434 110.121 114.554 0.001 0.000 3.058 2439 T HA 0.414 4.764 4.350 0.000 0.000 0.247 2439 T C 1.725 176.420 174.700 -0.007 0.000 0.987 2439 T CA 0.510 62.609 62.100 -0.001 0.000 1.062 2439 T CB 0.627 69.499 68.868 0.006 0.000 1.048 2439 T HN 0.329 nan 8.240 nan 0.000 0.468 2440 G N 2.009 110.803 108.800 -0.010 0.000 2.241 2440 G HA2 -0.197 3.763 3.960 0.000 0.000 0.244 2440 G HA3 -0.197 3.763 3.960 0.000 0.000 0.244 2440 G C 0.060 174.951 174.900 -0.015 0.000 0.998 2440 G CA 0.061 45.152 45.100 -0.015 0.000 0.621 2440 G HN 0.727 nan 8.290 nan 0.000 0.519 2441 L N 1.681 122.900 121.223 -0.007 0.000 2.513 2441 L HA 0.280 4.620 4.340 0.000 0.000 0.272 2441 L C 1.274 178.141 176.870 -0.006 0.000 1.187 2441 L CA -0.681 54.160 54.840 0.001 0.000 0.895 2441 L CB 0.160 42.228 42.059 0.014 0.000 1.147 2441 L HN 0.234 nan 8.230 nan 0.000 0.483 2442 C N 5.119 124.412 119.300 -0.013 0.000 2.653 2442 C HA 0.332 4.792 4.460 0.000 0.000 0.421 2442 C C 0.613 175.592 174.990 -0.017 0.000 1.334 2442 C CA -0.283 58.715 59.018 -0.032 0.000 1.885 2442 C CB -0.561 27.149 27.740 -0.051 0.000 2.645 2442 C HN 0.565 nan 8.230 nan 0.000 0.601 2443 L N 3.484 124.691 121.223 -0.026 0.000 2.386 2443 L HA 0.476 4.816 4.340 0.000 0.000 0.271 2443 L C -0.430 176.439 176.870 -0.002 0.000 0.993 2443 L CA -0.734 54.111 54.840 0.008 0.000 0.819 2443 L CB 1.482 43.565 42.059 0.041 0.000 1.294 2443 L HN 0.469 nan 8.230 nan 0.000 0.414 2444 L N 6.528 127.767 121.223 0.027 0.000 2.283 2444 L HA 0.425 4.765 4.340 0.000 0.000 0.287 2444 L C -2.135 174.777 176.870 0.069 0.000 1.073 2444 L CA -1.434 53.419 54.840 0.021 0.000 0.822 2444 L CB 0.511 42.583 42.059 0.022 0.000 1.186 2444 L HN 0.258 nan 8.230 nan 0.000 0.436 2445 P HA 0.115 nan 4.420 nan 0.000 0.271 2445 P C -1.009 176.348 177.300 0.095 0.000 1.220 2445 P CA -0.110 63.065 63.100 0.126 0.000 0.768 2445 P CB 1.479 33.223 31.700 0.073 0.000 0.848 2446 L N 2.757 124.046 121.223 0.109 0.000 2.161 2446 L HA 0.608 4.948 4.340 0.000 0.000 0.248 2446 L C 0.249 177.151 176.870 0.054 0.000 1.088 2446 L CA -0.965 53.916 54.840 0.068 0.000 0.987 2446 L CB 1.938 44.034 42.059 0.061 0.000 1.563 2446 L HN 0.429 nan 8.230 nan 0.000 0.472 2447 K N -0.157 120.264 120.400 0.036 0.000 2.533 2447 K HA 0.449 4.769 4.320 0.000 0.000 0.272 2447 K C -1.374 175.234 176.600 0.014 0.000 0.985 2447 K CA -0.631 55.669 56.287 0.022 0.000 0.876 2447 K CB 2.730 35.245 32.500 0.025 0.000 1.452 2447 K HN 0.632 nan 8.250 nan 0.000 0.439 2448 E N 0.000 120.202 120.200 0.004 0.000 2.725 2448 E HA 0.000 4.350 4.350 0.000 0.000 0.291 2448 E CA 0.000 56.400 56.400 0.000 0.000 0.976 2448 E CB 0.000 29.705 29.700 0.009 0.000 0.812 2448 E HN 0.000 nan 8.360 nan 0.000 0.440