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 2w1z_1_A DATA FIRST_RESID 194 DATA SEQUENCE HTDPGDVVIE ELFNRIPETS VWNENERVLS NANHLVSTAL WRNEQSFRVE DATA SEQUENCE SELGERPRTL VRGPVLRDDG SYICLEATDQ ETGEPLEVHV PYFTERPPSN DATA SEQUENCE AIKQLSEQVL RLRLLRGIKN QRQAKAYLRF IFPIDLVKDP KKRKMIRVRL DATA SEQUENCE XXRDMWVLSR FFLYPRMQSN LHILGDVLLS HSSTHKSLVH HARLQLTLQL DATA SEQUENCE IRLAASLQHY GLVHADFQVR NILLDQRGGV FLTGFEHLVR DGASAVSPIG DATA SEQUENCE RGFAPPETTA ERXXXXXXXH PTLMTFPFDT WTLGLAIYWI WcADLPNTED DATA SEQUENCE AELGGIEWIY RRcKNIPQPV RALLEGFLRY SKEDRLLPLQ AMETSEYEQL DATA SEQUENCE RTELSAVLPL YQT 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 194 H HA 0.000 nan 4.556 nan 0.000 0.296 194 H C 0.000 175.374 175.328 0.077 0.000 0.993 194 H CA 0.000 56.106 56.048 0.097 0.000 1.023 194 H CB 0.000 29.821 29.762 0.098 0.000 1.292 195 T N 0.064 114.457 114.554 -0.268 0.000 2.929 195 T HA 0.380 4.729 4.350 -0.001 0.000 0.284 195 T C -0.264 174.377 174.700 -0.098 0.000 1.014 195 T CA -0.676 61.331 62.100 -0.155 0.000 1.051 195 T CB 3.047 71.792 68.868 -0.205 0.000 1.028 195 T HN 0.270 nan 8.240 nan 0.000 0.485 196 D N 1.615 121.969 120.400 -0.076 0.000 2.175 196 D HA 0.284 4.924 4.640 -0.001 0.000 0.248 196 D C -1.657 174.600 176.300 -0.071 0.000 1.047 196 D CA -2.338 51.621 54.000 -0.068 0.000 0.883 196 D CB 2.169 42.927 40.800 -0.070 0.000 1.180 196 D HN 0.185 nan 8.370 nan 0.000 0.438 197 P HA -0.010 nan 4.420 nan 0.000 0.219 197 P C 1.115 178.368 177.300 -0.078 0.000 1.146 197 P CA 0.750 63.814 63.100 -0.061 0.000 0.808 197 P CB 0.180 31.851 31.700 -0.049 0.000 0.779 198 G N -0.841 107.902 108.800 -0.095 0.000 2.920 198 G HA2 -0.128 3.831 3.960 -0.001 0.000 0.208 198 G HA3 -0.128 3.831 3.960 -0.001 0.000 0.208 198 G C 0.953 175.756 174.900 -0.162 0.000 1.159 198 G CA 0.073 45.090 45.100 -0.138 0.000 0.784 198 G HN 0.131 nan 8.290 nan 0.000 0.535 199 D N 0.922 121.247 120.400 -0.125 0.000 2.149 199 D HA -0.160 4.480 4.640 -0.001 0.000 0.198 199 D C 2.940 179.149 176.300 -0.150 0.000 0.990 199 D CA 1.534 55.460 54.000 -0.125 0.000 0.839 199 D CB -0.375 40.384 40.800 -0.068 0.000 0.948 199 D HN 0.365 nan 8.370 nan 0.000 0.460 200 V N -1.136 118.705 119.914 -0.122 0.000 2.720 200 V HA -0.182 3.938 4.120 -0.001 0.000 0.256 200 V C 2.257 178.245 176.094 -0.178 0.000 1.082 200 V CA 1.086 63.333 62.300 -0.088 0.000 1.101 200 V CB -0.919 30.901 31.823 -0.003 0.000 0.693 200 V HN 0.023 nan 8.190 nan 0.000 0.479 201 V N 0.307 119.997 119.914 -0.374 0.000 2.358 201 V HA -0.132 3.988 4.120 -0.001 0.000 0.246 201 V C 2.548 178.401 176.094 -0.402 0.000 1.047 201 V CA 1.974 63.901 62.300 -0.621 0.000 1.035 201 V CB -0.522 30.883 31.823 -0.697 0.000 0.658 201 V HN 0.451 nan 8.190 nan 0.000 0.452 202 I N -0.015 120.313 120.570 -0.403 0.000 2.500 202 I HA -0.113 4.057 4.170 -0.001 0.000 0.252 202 I C 2.432 178.026 176.117 -0.872 0.000 1.142 202 I CA 1.105 62.053 61.300 -0.586 0.000 1.451 202 I CB -1.309 36.368 38.000 -0.540 0.000 1.093 202 I HN 0.429 nan 8.210 nan 0.000 0.430 203 E N 0.762 120.653 120.200 -0.515 0.000 2.058 203 E HA -0.289 4.060 4.350 -0.001 0.000 0.194 203 E C 2.039 178.563 176.600 -0.127 0.000 0.997 203 E CA 1.628 57.864 56.400 -0.274 0.000 0.801 203 E CB -0.063 29.599 29.700 -0.063 0.000 0.746 203 E HN 0.378 nan 8.360 nan 0.000 0.450 204 E N 0.997 121.155 120.200 -0.069 0.000 2.110 204 E HA -0.188 4.162 4.350 -0.001 0.000 0.193 204 E C 1.937 178.534 176.600 -0.005 0.000 0.988 204 E CA 0.580 57.011 56.400 0.051 0.000 0.804 204 E CB -0.203 29.660 29.700 0.271 0.000 0.745 204 E HN 0.155 nan 8.360 nan 0.000 0.458 205 L N -0.220 120.933 121.223 -0.117 0.000 2.042 205 L HA -0.134 4.206 4.340 -0.001 0.000 0.210 205 L C 1.936 178.795 176.870 -0.019 0.000 1.076 205 L CA 1.713 56.472 54.840 -0.134 0.000 0.749 205 L CB -0.673 41.244 42.059 -0.236 0.000 0.893 205 L HN 0.138 nan 8.230 nan 0.000 0.432 206 F N -0.042 119.857 119.950 -0.085 0.000 2.126 206 F HA -0.191 4.335 4.527 -0.001 0.000 0.299 206 F C 2.482 178.235 175.800 -0.078 0.000 1.096 206 F CA 1.212 59.159 58.000 -0.087 0.000 1.255 206 F CB -1.490 37.473 39.000 -0.062 0.000 0.997 206 F HN 0.266 nan 8.300 nan 0.000 0.479 207 N N -0.006 118.779 118.700 0.141 0.000 2.109 207 N HA -0.088 4.652 4.740 -0.001 0.000 0.188 207 N C 2.010 177.529 175.510 0.015 0.000 1.034 207 N CA 0.959 54.050 53.050 0.069 0.000 0.846 207 N CB -0.157 38.368 38.487 0.063 0.000 1.010 207 N HN 0.082 nan 8.380 nan 0.000 0.425 208 R N -0.041 120.448 120.500 -0.019 0.000 2.115 208 R HA 0.127 4.467 4.340 -0.001 0.000 0.226 208 R C 0.159 176.351 176.300 -0.180 0.000 1.100 208 R CA 0.672 56.729 56.100 -0.072 0.000 0.980 208 R CB 0.144 30.395 30.300 -0.081 0.000 0.875 208 R HN 0.268 nan 8.270 nan 0.000 0.445 209 I N 1.564 122.006 120.570 -0.215 0.000 2.668 209 I HA 0.186 4.356 4.170 -0.001 0.000 0.276 209 I C -1.962 174.058 176.117 -0.161 0.000 1.139 209 I CA -1.969 59.149 61.300 -0.304 0.000 1.133 209 I CB 1.941 39.630 38.000 -0.519 0.000 1.327 209 I HN -0.253 nan 8.210 nan 0.000 0.520 210 P HA -0.219 nan 4.420 nan 0.000 0.217 210 P C 1.467 178.715 177.300 -0.086 0.000 1.148 210 P CA 1.245 64.308 63.100 -0.062 0.000 0.828 210 P CB 0.325 32.003 31.700 -0.036 0.000 0.783 211 E N -0.457 119.686 120.200 -0.094 0.000 2.187 211 E HA -0.225 4.124 4.350 -0.001 0.000 0.199 211 E C 1.625 178.173 176.600 -0.087 0.000 1.004 211 E CA 1.996 58.353 56.400 -0.071 0.000 0.813 211 E CB -0.372 29.302 29.700 -0.044 0.000 0.736 211 E HN 0.323 nan 8.360 nan 0.000 0.468 212 T N -2.016 112.482 114.554 -0.093 0.000 3.035 212 T HA -0.071 4.279 4.350 -0.001 0.000 0.268 212 T C 1.780 176.408 174.700 -0.120 0.000 1.109 212 T CA 1.063 63.151 62.100 -0.020 0.000 1.119 212 T CB -0.136 68.785 68.868 0.089 0.000 0.900 212 T HN 0.147 nan 8.240 nan 0.000 0.503 213 S N 0.559 116.067 115.700 -0.320 0.000 2.556 213 S HA 0.383 4.852 4.470 -0.001 0.000 0.216 213 S C 0.577 174.808 174.600 -0.614 0.000 0.970 213 S CA -0.184 57.504 58.200 -0.853 0.000 0.912 213 S CB -0.455 62.342 63.200 -0.672 0.000 0.790 213 S HN 0.659 nan 8.310 nan 0.000 0.504 214 V N -3.746 115.936 119.914 -0.386 0.000 3.126 214 V HA 0.624 4.743 4.120 -0.001 0.000 0.314 214 V C 0.414 176.345 176.094 -0.271 0.000 1.138 214 V CA -1.386 60.749 62.300 -0.276 0.000 1.034 214 V CB 0.700 32.462 31.823 -0.103 0.000 1.075 214 V HN 0.316 nan 8.190 nan 0.000 0.442 215 W N -0.627 120.641 121.300 -0.053 0.000 2.584 215 W HA 0.221 4.881 4.660 -0.001 0.000 0.264 215 W C 1.243 177.761 176.519 -0.002 0.000 1.264 215 W CA 0.707 58.037 57.345 -0.025 0.000 1.306 215 W CB -0.082 29.360 29.460 -0.030 0.000 1.110 215 W HN 0.844 nan 8.180 nan 0.000 0.606 216 N N 1.253 120.062 118.700 0.181 0.000 2.740 216 N HA -0.217 4.522 4.740 -0.001 0.000 0.248 216 N C -0.383 175.207 175.510 0.134 0.000 1.062 216 N CA 0.945 54.069 53.050 0.124 0.000 0.704 216 N CB -1.346 37.200 38.487 0.098 0.000 0.968 216 N HN 0.262 nan 8.380 nan 0.000 0.547 217 E N 1.616 121.899 120.200 0.139 0.000 2.354 217 E HA 0.145 4.494 4.350 -0.001 0.000 0.269 217 E C 0.367 177.004 176.600 0.061 0.000 1.036 217 E CA -0.455 56.002 56.400 0.094 0.000 0.876 217 E CB 0.487 30.221 29.700 0.056 0.000 1.009 217 E HN 0.196 nan 8.360 nan 0.000 0.416 218 N N 3.244 121.973 118.700 0.049 0.000 2.412 218 N HA -0.130 4.610 4.740 -0.001 0.000 0.254 218 N C 0.613 176.135 175.510 0.020 0.000 1.232 218 N CA 0.373 53.444 53.050 0.036 0.000 0.880 218 N CB 0.594 39.101 38.487 0.032 0.000 1.076 218 N HN 0.687 nan 8.380 nan 0.000 0.458 219 E N 3.219 123.430 120.200 0.019 0.000 2.110 219 E HA -0.187 4.162 4.350 -0.001 0.000 0.193 219 E C 1.486 178.085 176.600 -0.001 0.000 0.988 219 E CA 1.171 57.577 56.400 0.010 0.000 0.804 219 E CB 0.256 29.962 29.700 0.011 0.000 0.745 219 E HN 0.611 nan 8.360 nan 0.000 0.458 220 R N -0.362 120.137 120.500 -0.001 0.000 2.115 220 R HA -0.067 4.272 4.340 -0.001 0.000 0.230 220 R C 2.357 178.648 176.300 -0.016 0.000 1.111 220 R CA 0.888 56.982 56.100 -0.010 0.000 0.976 220 R CB -0.084 30.212 30.300 -0.006 0.000 0.870 220 R HN 0.064 nan 8.270 nan 0.000 0.445 221 V N 1.278 121.185 119.914 -0.012 0.000 2.358 221 V HA -0.202 3.917 4.120 -0.001 0.000 0.246 221 V C 2.211 178.280 176.094 -0.042 0.000 1.047 221 V CA 1.578 63.863 62.300 -0.025 0.000 1.035 221 V CB -0.365 31.451 31.823 -0.013 0.000 0.658 221 V HN 0.286 nan 8.190 nan 0.000 0.452 222 L N -0.226 120.979 121.223 -0.030 0.000 2.083 222 L HA -0.180 4.160 4.340 -0.001 0.000 0.209 222 L C 2.697 179.546 176.870 -0.035 0.000 1.083 222 L CA 1.874 56.692 54.840 -0.036 0.000 0.752 222 L CB -0.595 41.454 42.059 -0.017 0.000 0.899 222 L HN 0.397 nan 8.230 nan 0.000 0.433 223 S N 0.000 115.685 115.700 -0.026 0.000 2.357 223 S HA -0.132 4.337 4.470 -0.001 0.000 0.221 223 S C 1.811 176.401 174.600 -0.016 0.000 1.031 223 S CA 1.284 59.470 58.200 -0.023 0.000 0.982 223 S CB -0.134 63.049 63.200 -0.028 0.000 0.853 223 S HN 0.427 nan 8.310 nan 0.000 0.458 224 N N 1.971 120.655 118.700 -0.027 0.000 2.120 224 N HA 0.007 4.747 4.740 -0.001 0.000 0.188 224 N C 1.851 177.326 175.510 -0.059 0.000 1.024 224 N CA 1.378 54.415 53.050 -0.022 0.000 0.852 224 N CB -0.864 37.598 38.487 -0.042 0.000 1.003 224 N HN 0.515 nan 8.380 nan 0.000 0.424 225 A N 1.001 123.758 122.820 -0.105 0.000 1.930 225 A HA -0.134 4.185 4.320 -0.001 0.000 0.217 225 A C 2.173 179.679 177.584 -0.131 0.000 1.175 225 A CA 1.528 53.461 52.037 -0.173 0.000 0.627 225 A CB -0.637 18.258 19.000 -0.175 0.000 0.815 225 A HN 0.292 nan 8.150 nan 0.000 0.443 226 N N -0.547 118.112 118.700 -0.067 0.000 2.106 226 N HA -0.206 4.534 4.740 -0.001 0.000 0.188 226 N C 1.674 177.171 175.510 -0.021 0.000 1.029 226 N CA 1.992 55.019 53.050 -0.039 0.000 0.848 226 N CB -0.539 37.943 38.487 -0.009 0.000 1.007 226 N HN 0.613 nan 8.380 nan 0.000 0.423 227 H N -0.244 118.766 119.070 -0.099 0.000 2.352 227 H HA -0.068 4.487 4.556 -0.001 0.000 0.299 227 H C 1.917 177.166 175.328 -0.132 0.000 1.097 227 H CA 1.660 57.647 56.048 -0.101 0.000 1.311 227 H CB -0.576 29.133 29.762 -0.089 0.000 1.377 227 H HN 0.243 nan 8.280 nan 0.000 0.504 228 L N -0.384 120.704 121.223 -0.225 0.000 1.994 228 L HA -0.113 4.227 4.340 -0.001 0.000 0.208 228 L C 2.431 179.111 176.870 -0.316 0.000 1.071 228 L CA 1.445 56.099 54.840 -0.311 0.000 0.745 228 L CB -0.766 41.118 42.059 -0.292 0.000 0.892 228 L HN 0.221 nan 8.230 nan 0.000 0.431 229 V N -1.150 118.603 119.914 -0.269 0.000 2.427 229 V HA -0.213 3.907 4.120 -0.001 0.000 0.248 229 V C 2.514 178.429 176.094 -0.298 0.000 1.051 229 V CA 1.711 63.832 62.300 -0.298 0.000 1.048 229 V CB -0.556 31.142 31.823 -0.209 0.000 0.666 229 V HN 0.472 nan 8.190 nan 0.000 0.456 230 S N -0.257 115.323 115.700 -0.199 0.000 2.382 230 S HA -0.184 4.285 4.470 -0.001 0.000 0.228 230 S C 2.062 176.538 174.600 -0.208 0.000 1.027 230 S CA 1.932 60.044 58.200 -0.147 0.000 0.991 230 S CB -0.310 62.855 63.200 -0.058 0.000 0.823 230 S HN 0.683 nan 8.310 nan 0.000 0.469 231 T N 1.944 116.322 114.554 -0.294 0.000 2.809 231 T HA 0.134 4.483 4.350 -0.001 0.000 0.260 231 T C 2.150 176.675 174.700 -0.292 0.000 1.039 231 T CA 1.087 63.006 62.100 -0.302 0.000 1.141 231 T CB -0.349 68.262 68.868 -0.428 0.000 0.869 231 T HN 0.434 nan 8.240 nan 0.000 0.437 232 A N -0.093 122.523 122.820 -0.341 0.000 1.970 232 A HA 0.324 4.644 4.320 -0.001 0.000 0.216 232 A C 1.851 179.156 177.584 -0.465 0.000 1.170 232 A CA 0.894 52.724 52.037 -0.346 0.000 0.645 232 A CB -0.189 18.616 19.000 -0.324 0.000 0.816 232 A HN 0.416 nan 8.150 nan 0.000 0.447 233 L N -3.486 117.347 121.223 -0.651 0.000 3.701 233 L HA 0.331 4.671 4.340 -0.001 0.000 0.182 233 L C -0.293 175.916 176.870 -1.102 0.000 1.227 233 L CA -0.559 53.546 54.840 -1.225 0.000 0.926 233 L CB 0.210 41.066 42.059 -2.006 0.000 1.561 233 L HN 0.470 nan 8.230 nan 0.000 0.672 234 W N 0.877 122.005 121.300 -0.287 0.000 3.138 234 W HA 0.515 5.174 4.660 -0.001 0.000 0.331 234 W C -0.719 175.711 176.519 -0.148 0.000 1.166 234 W CA -0.829 56.380 57.345 -0.227 0.000 1.212 234 W CB 1.142 30.381 29.460 -0.368 0.000 1.399 234 W HN 0.088 nan 8.180 nan 0.000 0.514 235 R N 1.370 121.950 120.500 0.134 0.000 2.726 235 R HA 0.102 4.441 4.340 -0.001 0.000 0.272 235 R C 0.324 176.697 176.300 0.121 0.000 1.097 235 R CA -0.789 55.363 56.100 0.088 0.000 1.198 235 R CB 0.376 30.713 30.300 0.063 0.000 1.114 235 R HN 0.294 nan 8.270 nan 0.000 0.550 236 N N 1.333 120.082 118.700 0.083 0.000 2.458 236 N HA -0.093 4.647 4.740 -0.001 0.000 0.258 236 N C -0.431 175.126 175.510 0.080 0.000 1.219 236 N CA 0.743 53.842 53.050 0.081 0.000 0.902 236 N CB 0.323 38.842 38.487 0.054 0.000 1.076 236 N HN 0.656 nan 8.380 nan 0.000 0.455 237 E N -1.426 118.823 120.200 0.081 0.000 3.628 237 E HA -0.345 4.004 4.350 -0.001 0.000 0.309 237 E C -0.617 176.030 176.600 0.079 0.000 0.839 237 E CA 0.415 56.853 56.400 0.064 0.000 1.123 237 E CB -1.287 28.440 29.700 0.045 0.000 1.568 237 E HN 0.763 nan 8.360 nan 0.000 0.440 238 Q N 1.170 121.046 119.800 0.126 0.000 2.267 238 Q HA 0.327 4.666 4.340 -0.001 0.000 0.255 238 Q C -0.674 175.436 176.000 0.183 0.000 0.923 238 Q CA -0.110 55.787 55.803 0.157 0.000 0.925 238 Q CB 1.072 29.937 28.738 0.211 0.000 1.195 238 Q HN -0.009 nan 8.270 nan 0.000 0.417 239 S N 3.744 119.511 115.700 0.111 0.000 2.565 239 S HA 0.532 5.002 4.470 -0.001 0.000 0.274 239 S C -0.886 173.786 174.600 0.121 0.000 1.309 239 S CA -0.455 57.756 58.200 0.018 0.000 1.043 239 S CB 0.200 63.384 63.200 -0.026 0.000 0.939 239 S HN 0.490 nan 8.310 nan 0.000 0.504 240 F N -0.201 119.641 119.950 -0.181 0.000 2.596 240 F HA 0.604 5.131 4.527 -0.001 0.000 0.311 240 F C -0.601 175.127 175.800 -0.121 0.000 1.116 240 F CA -1.307 56.587 58.000 -0.176 0.000 0.957 240 F CB 1.132 39.848 39.000 -0.473 0.000 1.250 240 F HN 0.238 nan 8.300 nan 0.000 0.444 241 R N 2.440 122.988 120.500 0.081 0.000 2.308 241 R HA 0.704 5.044 4.340 -0.001 0.000 0.305 241 R C -0.745 175.649 176.300 0.156 0.000 1.053 241 R CA -0.826 55.299 56.100 0.041 0.000 0.957 241 R CB 1.924 32.252 30.300 0.048 0.000 1.022 241 R HN 0.756 nan 8.270 nan 0.000 0.461 242 V N -0.560 119.407 119.914 0.089 0.000 3.001 242 V HA 0.649 4.769 4.120 -0.001 0.000 0.314 242 V C -0.789 175.321 176.094 0.028 0.000 1.099 242 V CA -0.960 61.414 62.300 0.124 0.000 0.989 242 V CB 2.174 34.098 31.823 0.168 0.000 1.040 242 V HN 0.897 nan 8.190 nan 0.000 0.434 243 E N 1.247 121.448 120.200 0.002 0.000 2.317 243 E HA 0.588 4.938 4.350 -0.001 0.000 0.270 243 E C -0.825 175.740 176.600 -0.060 0.000 0.885 243 E CA -0.686 55.700 56.400 -0.024 0.000 0.760 243 E CB 2.046 31.742 29.700 -0.008 0.000 1.227 243 E HN 0.733 nan 8.360 nan 0.000 0.434 244 S N 0.733 116.399 115.700 -0.057 0.000 2.576 244 S HA 0.007 4.477 4.470 -0.001 0.000 0.276 244 S C 0.599 175.161 174.600 -0.064 0.000 1.339 244 S CA -0.309 57.849 58.200 -0.070 0.000 1.039 244 S CB 0.566 63.734 63.200 -0.053 0.000 0.902 244 S HN 0.562 nan 8.310 nan 0.000 0.516 245 E N 3.264 123.420 120.200 -0.074 0.000 2.479 245 E HA 0.127 4.476 4.350 -0.001 0.000 0.193 245 E C 0.839 177.416 176.600 -0.038 0.000 1.049 245 E CA 0.311 56.677 56.400 -0.056 0.000 0.870 245 E CB 0.122 29.780 29.700 -0.069 0.000 0.944 245 E HN 0.643 nan 8.360 nan 0.000 0.492 246 L N -1.184 120.016 121.223 -0.039 0.000 2.858 246 L HA 0.324 4.663 4.340 -0.001 0.000 0.251 246 L C 1.139 177.990 176.870 -0.032 0.000 1.149 246 L CA 0.333 55.154 54.840 -0.031 0.000 0.955 246 L CB 0.581 42.623 42.059 -0.029 0.000 1.289 246 L HN 0.118 nan 8.230 nan 0.000 0.542 247 G N 0.649 109.429 108.800 -0.033 0.000 2.144 247 G HA2 -0.203 3.756 3.960 -0.001 0.000 0.218 247 G HA3 -0.203 3.756 3.960 -0.001 0.000 0.218 247 G C 0.027 174.907 174.900 -0.032 0.000 0.988 247 G CA -0.213 44.869 45.100 -0.030 0.000 0.659 247 G HN 0.408 nan 8.290 nan 0.000 0.522 248 E N -0.003 120.175 120.200 -0.037 0.000 2.292 248 E HA 0.524 4.874 4.350 -0.001 0.000 0.258 248 E C 0.910 177.488 176.600 -0.036 0.000 1.115 248 E CA -0.935 55.442 56.400 -0.038 0.000 0.929 248 E CB 0.650 30.324 29.700 -0.044 0.000 1.161 248 E HN 0.568 nan 8.360 nan 0.000 0.453 249 R N 0.610 121.089 120.500 -0.035 0.000 2.590 249 R HA 0.233 4.573 4.340 -0.001 0.000 0.274 249 R C -2.379 173.900 176.300 -0.036 0.000 1.061 249 R CA -1.388 54.692 56.100 -0.033 0.000 1.081 249 R CB -0.751 29.529 30.300 -0.032 0.000 0.984 249 R HN 0.134 nan 8.270 nan 0.000 0.448 250 P HA 0.109 nan 4.420 nan 0.000 0.270 250 P C -0.868 176.406 177.300 -0.043 0.000 1.223 250 P CA -0.292 62.788 63.100 -0.033 0.000 0.785 250 P CB 0.626 32.311 31.700 -0.024 0.000 0.923 251 R N -0.132 120.336 120.500 -0.053 0.000 2.698 251 R HA 0.582 4.921 4.340 -0.001 0.000 0.275 251 R C -0.902 175.327 176.300 -0.119 0.000 1.001 251 R CA -0.700 55.351 56.100 -0.082 0.000 0.896 251 R CB 1.715 31.962 30.300 -0.088 0.000 1.218 251 R HN 0.278 nan 8.270 nan 0.000 0.462 252 T N 3.086 117.551 114.554 -0.149 0.000 2.767 252 T HA 0.477 4.826 4.350 -0.001 0.000 0.284 252 T C -0.152 174.348 174.700 -0.334 0.000 0.973 252 T CA -0.586 61.379 62.100 -0.225 0.000 0.996 252 T CB 0.574 69.348 68.868 -0.156 0.000 0.927 252 T HN 0.168 nan 8.240 nan 0.000 0.456 253 L N 2.518 123.364 121.223 -0.629 0.000 2.322 253 L HA 0.789 5.128 4.340 -0.001 0.000 0.269 253 L C -0.572 175.841 176.870 -0.762 0.000 1.012 253 L CA -1.352 53.036 54.840 -0.754 0.000 0.815 253 L CB 1.783 43.192 42.059 -1.084 0.000 1.295 253 L HN 0.292 nan 8.230 nan 0.000 0.438 254 V N 1.473 121.132 119.914 -0.425 0.000 2.487 254 V HA 0.401 4.521 4.120 -0.001 0.000 0.298 254 V C 0.045 176.110 176.094 -0.048 0.000 1.028 254 V CA -0.713 61.467 62.300 -0.201 0.000 0.860 254 V CB 1.701 33.465 31.823 -0.099 0.000 0.991 254 V HN 0.644 nan 8.190 nan 0.000 0.427 255 R N 2.119 122.707 120.500 0.147 0.000 2.438 255 R HA 0.527 4.866 4.340 -0.001 0.000 0.287 255 R C 0.386 176.754 176.300 0.115 0.000 1.077 255 R CA 0.284 56.516 56.100 0.221 0.000 1.034 255 R CB 1.211 31.681 30.300 0.284 0.000 0.993 255 R HN 0.961 nan 8.270 nan 0.000 0.459 256 G N 3.897 112.755 108.800 0.095 0.000 2.887 256 G HA2 0.504 4.464 3.960 -0.001 0.000 0.277 256 G HA3 0.504 4.464 3.960 -0.001 0.000 0.277 256 G C -2.682 172.255 174.900 0.062 0.000 1.346 256 G CA -1.201 43.939 45.100 0.066 0.000 1.058 256 G HN 0.381 nan 8.290 nan 0.000 0.535 257 P HA 0.233 nan 4.420 nan 0.000 0.271 257 P C -0.084 177.226 177.300 0.017 0.000 1.233 257 P CA -0.454 62.664 63.100 0.031 0.000 0.789 257 P CB 0.701 32.418 31.700 0.028 0.000 0.951 258 V N 2.691 122.603 119.914 -0.004 0.000 2.637 258 V HA -0.001 4.119 4.120 -0.001 0.000 0.296 258 V C 1.648 177.710 176.094 -0.054 0.000 1.046 258 V CA 0.618 62.893 62.300 -0.040 0.000 1.066 258 V CB -0.022 31.766 31.823 -0.058 0.000 0.968 258 V HN 0.490 nan 8.190 nan 0.000 0.483 259 L N 4.241 125.394 121.223 -0.116 0.000 2.362 259 L HA 0.334 4.673 4.340 -0.001 0.000 0.204 259 L C 0.935 177.640 176.870 -0.275 0.000 1.060 259 L CA 0.516 55.258 54.840 -0.164 0.000 0.827 259 L CB 0.092 42.003 42.059 -0.247 0.000 1.027 259 L HN 0.813 nan 8.230 nan 0.000 0.474 260 R N -1.463 118.825 120.500 -0.354 0.000 2.728 260 R HA 0.374 4.714 4.340 -0.001 0.000 0.274 260 R C -1.940 174.202 176.300 -0.264 0.000 1.032 260 R CA -0.831 55.061 56.100 -0.347 0.000 0.866 260 R CB 1.285 31.199 30.300 -0.644 0.000 1.263 260 R HN -0.273 nan 8.270 nan 0.000 0.475 261 D N 1.157 121.455 120.400 -0.169 0.000 2.469 261 D HA 0.126 4.765 4.640 -0.001 0.000 0.251 261 D C -0.561 175.710 176.300 -0.048 0.000 1.173 261 D CA -0.520 53.428 54.000 -0.086 0.000 0.882 261 D CB 1.495 42.254 40.800 -0.067 0.000 1.129 261 D HN 0.639 nan 8.370 nan 0.000 0.549 262 D N 2.575 122.946 120.400 -0.048 0.000 2.325 262 D HA 0.180 4.820 4.640 -0.001 0.000 0.225 262 D C 1.409 177.691 176.300 -0.031 0.000 1.096 262 D CA 0.418 54.387 54.000 -0.052 0.000 0.844 262 D CB 0.052 40.802 40.800 -0.083 0.000 0.925 262 D HN 0.620 nan 8.370 nan 0.000 0.513 263 G N -0.605 108.206 108.800 0.018 0.000 2.258 263 G HA2 -0.323 3.636 3.960 -0.001 0.000 0.233 263 G HA3 -0.323 3.636 3.960 -0.001 0.000 0.233 263 G C 1.272 175.956 174.900 -0.359 0.000 1.006 263 G CA 0.390 45.460 45.100 -0.051 0.000 0.620 263 G HN 0.401 nan 8.290 nan 0.000 0.511 264 S N -1.329 114.143 115.700 -0.380 0.000 2.670 264 S HA 0.468 4.938 4.470 -0.001 0.000 0.241 264 S C 0.099 174.114 174.600 -0.976 0.000 1.077 264 S CA 0.307 58.031 58.200 -0.794 0.000 0.899 264 S CB 0.592 63.479 63.200 -0.522 0.000 0.835 264 S HN 0.486 nan 8.310 nan 0.000 0.481 265 Y N 0.536 120.768 120.300 -0.112 0.000 2.512 265 Y HA 0.601 5.150 4.550 -0.001 0.000 0.348 265 Y C -0.534 175.411 175.900 0.075 0.000 0.990 265 Y CA -1.004 57.123 58.100 0.045 0.000 1.033 265 Y CB 1.077 39.549 38.460 0.020 0.000 1.259 265 Y HN -0.036 nan 8.280 nan 0.000 0.461 266 I N 2.819 123.509 120.570 0.199 0.000 2.321 266 I HA 0.321 4.491 4.170 -0.001 0.000 0.291 266 I C -0.876 175.191 176.117 -0.083 0.000 0.998 266 I CA -0.364 60.924 61.300 -0.021 0.000 1.227 266 I CB 0.669 38.594 38.000 -0.126 0.000 1.368 266 I HN 0.549 nan 8.210 nan 0.000 0.466 267 C N 7.398 126.553 119.300 -0.242 0.000 2.273 267 C HA 0.605 5.064 4.460 -0.001 0.000 0.328 267 C C -0.052 174.839 174.990 -0.165 0.000 1.275 267 C CA -0.717 58.104 59.018 -0.328 0.000 1.704 267 C CB 0.066 27.388 27.740 -0.697 0.000 2.326 267 C HN 0.465 nan 8.230 nan 0.000 0.517 268 L N 2.442 123.652 121.223 -0.022 0.000 2.354 268 L HA 0.521 4.860 4.340 -0.001 0.000 0.269 268 L C 0.320 177.231 176.870 0.069 0.000 1.005 268 L CA -0.354 54.500 54.840 0.023 0.000 0.819 268 L CB 0.957 43.060 42.059 0.072 0.000 1.311 268 L HN 0.708 nan 8.230 nan 0.000 0.423 269 E N 1.130 121.366 120.200 0.060 0.000 2.398 269 E HA 0.491 4.841 4.350 -0.001 0.000 0.263 269 E C -0.485 176.167 176.600 0.086 0.000 1.046 269 E CA -0.071 56.375 56.400 0.076 0.000 0.908 269 E CB 1.292 31.029 29.700 0.061 0.000 0.963 269 E HN 0.682 nan 8.360 nan 0.000 0.431 270 A N 2.299 125.166 122.820 0.079 0.000 2.594 270 A HA 0.553 4.873 4.320 -0.001 0.000 0.295 270 A C -0.904 176.684 177.584 0.007 0.000 1.071 270 A CA -0.706 51.360 52.037 0.049 0.000 0.685 270 A CB 2.118 21.163 19.000 0.075 0.000 1.285 270 A HN 0.448 nan 8.150 nan 0.000 0.405 271 T N 1.405 115.933 114.554 -0.042 0.000 2.824 271 T HA 0.380 4.729 4.350 -0.001 0.000 0.282 271 T C -0.876 173.760 174.700 -0.105 0.000 0.993 271 T CA -0.337 61.732 62.100 -0.052 0.000 0.967 271 T CB 1.323 70.169 68.868 -0.037 0.000 0.960 271 T HN 0.672 nan 8.240 nan 0.000 0.441 272 D N 2.043 122.390 120.400 -0.088 0.000 2.417 272 D HA -0.008 4.632 4.640 -0.001 0.000 0.250 272 D C 0.927 177.169 176.300 -0.097 0.000 1.166 272 D CA 0.313 54.248 54.000 -0.108 0.000 0.881 272 D CB 1.144 41.898 40.800 -0.077 0.000 1.164 272 D HN 0.577 nan 8.370 nan 0.000 0.467 273 Q N 2.688 122.416 119.800 -0.121 0.000 2.230 273 Q HA -0.125 4.214 4.340 -0.001 0.000 0.202 273 Q C 1.576 177.536 176.000 -0.067 0.000 0.963 273 Q CA 0.946 56.692 55.803 -0.095 0.000 0.866 273 Q CB 0.373 29.043 28.738 -0.113 0.000 0.931 273 Q HN 0.695 nan 8.270 nan 0.000 0.452 274 E N -0.464 119.697 120.200 -0.066 0.000 2.065 274 E HA -0.035 4.315 4.350 -0.001 0.000 0.191 274 E C 0.522 177.098 176.600 -0.040 0.000 0.960 274 E CA 0.910 57.281 56.400 -0.048 0.000 0.824 274 E CB -0.306 29.366 29.700 -0.046 0.000 0.793 274 E HN 0.094 nan 8.360 nan 0.000 0.459 275 T N -0.994 113.535 114.554 -0.042 0.000 2.727 275 T HA 0.437 4.786 4.350 -0.001 0.000 0.298 275 T C 1.247 175.928 174.700 -0.033 0.000 0.942 275 T CA -0.146 61.933 62.100 -0.034 0.000 0.997 275 T CB 1.055 69.903 68.868 -0.033 0.000 0.917 275 T HN 0.375 nan 8.240 nan 0.000 0.487 276 G N 3.105 111.889 108.800 -0.026 0.000 3.326 276 G HA2 -0.377 3.582 3.960 -0.001 0.000 0.373 276 G HA3 -0.377 3.582 3.960 -0.001 0.000 0.373 276 G C 0.262 175.148 174.900 -0.024 0.000 2.105 276 G CA 1.495 46.583 45.100 -0.021 0.000 2.383 276 G HN 1.084 nan 8.290 nan 0.000 0.927 277 E N 1.249 121.434 120.200 -0.026 0.000 2.224 277 E HA 0.500 4.849 4.350 -0.001 0.000 0.265 277 E C -2.940 173.655 176.600 -0.009 0.000 0.878 277 E CA -2.643 53.747 56.400 -0.016 0.000 0.759 277 E CB 2.499 32.186 29.700 -0.022 0.000 1.164 277 E HN 0.155 nan 8.360 nan 0.000 0.414 278 P HA 0.229 nan 4.420 nan 0.000 0.276 278 P C -0.834 176.484 177.300 0.030 0.000 1.235 278 P CA -0.017 63.094 63.100 0.019 0.000 0.772 278 P CB 0.668 32.385 31.700 0.027 0.000 0.871 279 L N 1.741 122.991 121.223 0.044 0.000 2.341 279 L HA 0.523 4.862 4.340 -0.001 0.000 0.254 279 L C 0.333 177.273 176.870 0.116 0.000 1.040 279 L CA -0.942 53.941 54.840 0.073 0.000 0.837 279 L CB 2.240 44.336 42.059 0.062 0.000 1.425 279 L HN 0.240 nan 8.230 nan 0.000 0.414 280 E N 0.063 120.366 120.200 0.173 0.000 2.207 280 E HA 0.556 4.906 4.350 -0.001 0.000 0.270 280 E C -1.494 175.304 176.600 0.329 0.000 0.927 280 E CA -0.731 55.816 56.400 0.245 0.000 0.799 280 E CB 2.925 32.815 29.700 0.317 0.000 1.172 280 E HN 0.135 nan 8.360 nan 0.000 0.404 281 V N 2.934 123.057 119.914 0.349 0.000 2.417 281 V HA 0.204 4.323 4.120 -0.001 0.000 0.291 281 V C -0.598 175.800 176.094 0.507 0.000 1.024 281 V CA -0.582 61.975 62.300 0.428 0.000 0.861 281 V CB 1.212 33.213 31.823 0.297 0.000 0.985 281 V HN 0.665 nan 8.190 nan 0.000 0.436 282 H N 3.470 122.772 119.070 0.387 0.000 2.673 282 H HA 0.396 4.951 4.556 -0.001 0.000 0.293 282 H C -0.842 174.775 175.328 0.482 0.000 1.065 282 H CA -0.635 55.625 56.048 0.353 0.000 1.236 282 H CB 1.852 31.795 29.762 0.301 0.000 1.389 282 H HN 0.405 nan 8.280 nan 0.000 0.481 283 V N 6.474 126.635 119.914 0.413 0.000 2.368 283 V HA 0.122 4.241 4.120 -0.001 0.000 0.266 283 V C -2.053 174.247 176.094 0.342 0.000 1.045 283 V CA -1.792 60.697 62.300 0.314 0.000 0.899 283 V CB 0.756 32.612 31.823 0.055 0.000 1.006 283 V HN 0.599 nan 8.190 nan 0.000 0.470 284 P HA 0.277 nan 4.420 nan 0.000 0.271 284 P C -1.193 176.067 177.300 -0.068 0.000 1.216 284 P CA 0.140 63.182 63.100 -0.096 0.000 0.771 284 P CB 0.255 31.959 31.700 0.008 0.000 0.864 285 Y N 1.021 121.015 120.300 -0.509 0.000 2.638 285 Y HA 0.829 5.379 4.550 -0.001 0.000 0.339 285 Y C -1.624 173.853 175.900 -0.705 0.000 1.084 285 Y CA -1.520 56.385 58.100 -0.325 0.000 1.068 285 Y CB 1.261 39.622 38.460 -0.166 0.000 1.294 285 Y HN 0.153 nan 8.280 nan 0.000 0.480 286 F N -0.454 119.542 119.950 0.078 0.000 2.619 286 F HA 0.420 4.946 4.527 -0.001 0.000 0.308 286 F C 0.732 176.656 175.800 0.207 0.000 1.097 286 F CA -0.534 57.462 58.000 -0.006 0.000 0.953 286 F CB 2.767 41.741 39.000 -0.044 0.000 1.287 286 F HN 0.708 nan 8.300 nan 0.000 0.446 287 T N -3.372 111.356 114.554 0.291 0.000 3.057 287 T HA 0.240 4.589 4.350 -0.001 0.000 0.254 287 T C 0.325 175.198 174.700 0.290 0.000 1.094 287 T CA 0.448 62.712 62.100 0.273 0.000 1.088 287 T CB 0.149 69.117 68.868 0.167 0.000 0.934 287 T HN 0.398 nan 8.240 nan 0.000 0.497 288 E N 1.068 121.394 120.200 0.211 0.000 2.334 288 E HA 0.392 4.741 4.350 -0.001 0.000 0.256 288 E C -0.621 175.752 176.600 -0.379 0.000 0.958 288 E CA -1.058 55.372 56.400 0.050 0.000 0.821 288 E CB 1.715 31.390 29.700 -0.042 0.000 1.269 288 E HN 0.199 nan 8.360 nan 0.000 0.413 289 R N 1.713 121.605 120.500 -1.014 0.000 2.502 289 R HA 0.062 4.401 4.340 -0.001 0.000 0.292 289 R C -2.084 173.616 176.300 -0.999 0.000 0.998 289 R CA -0.829 54.258 56.100 -1.689 0.000 1.056 289 R CB -0.151 29.466 30.300 -1.138 0.000 0.939 289 R HN 0.089 nan 8.270 nan 0.000 0.411 290 P HA 0.110 nan 4.420 nan 0.000 0.269 290 P C -2.430 174.435 177.300 -0.725 0.000 1.215 290 P CA -0.985 61.403 63.100 -1.186 0.000 0.780 290 P CB 0.070 30.972 31.700 -1.330 0.000 0.898 291 P HA 0.038 nan 4.420 nan 0.000 0.268 291 P C 0.742 177.875 177.300 -0.278 0.000 1.208 291 P CA 0.297 63.197 63.100 -0.332 0.000 0.777 291 P CB 0.199 31.766 31.700 -0.221 0.000 0.875 292 S N 1.363 116.949 115.700 -0.190 0.000 2.380 292 S HA -0.191 4.279 4.470 -0.001 0.000 0.229 292 S C 1.325 175.861 174.600 -0.108 0.000 1.043 292 S CA 1.858 59.975 58.200 -0.138 0.000 1.038 292 S CB -0.838 62.303 63.200 -0.098 0.000 0.872 292 S HN 0.717 nan 8.310 nan 0.000 0.456 293 N N 1.651 120.297 118.700 -0.089 0.000 2.370 293 N HA 0.281 5.020 4.740 -0.001 0.000 0.198 293 N C 1.068 176.559 175.510 -0.033 0.000 1.156 293 N CA 0.665 53.686 53.050 -0.049 0.000 0.839 293 N CB -0.361 38.109 38.487 -0.028 0.000 0.989 293 N HN 0.288 nan 8.380 nan 0.000 0.468 294 A N 1.302 124.077 122.820 -0.075 0.000 1.873 294 A HA -0.138 4.181 4.320 -0.001 0.000 0.218 294 A C 2.040 179.659 177.584 0.059 0.000 1.193 294 A CA 1.404 53.425 52.037 -0.027 0.000 0.629 294 A CB -0.632 18.255 19.000 -0.188 0.000 0.826 294 A HN 0.256 nan 8.150 nan 0.000 0.447 295 I N -0.329 120.256 120.570 0.025 0.000 2.202 295 I HA -0.177 3.993 4.170 -0.001 0.000 0.242 295 I C 2.361 178.497 176.117 0.032 0.000 1.091 295 I CA 1.984 63.303 61.300 0.032 0.000 1.368 295 I CB -0.325 37.681 38.000 0.010 0.000 1.058 295 I HN 0.337 nan 8.210 nan 0.000 0.410 296 K N 0.516 120.929 120.400 0.021 0.000 2.057 296 K HA -0.184 4.136 4.320 -0.001 0.000 0.207 296 K C 2.040 178.669 176.600 0.049 0.000 1.049 296 K CA 1.593 57.895 56.287 0.024 0.000 0.931 296 K CB -0.366 32.139 32.500 0.009 0.000 0.714 296 K HN 0.233 nan 8.250 nan 0.000 0.440 297 Q N 0.306 120.144 119.800 0.062 0.000 2.234 297 Q HA -0.111 4.228 4.340 -0.001 0.000 0.206 297 Q C 2.072 178.168 176.000 0.159 0.000 0.980 297 Q CA 1.250 57.108 55.803 0.091 0.000 0.869 297 Q CB -0.171 28.621 28.738 0.091 0.000 0.912 297 Q HN 0.422 nan 8.270 nan 0.000 0.436 298 L N 0.038 121.376 121.223 0.192 0.000 2.127 298 L HA -0.177 4.162 4.340 -0.001 0.000 0.211 298 L C 2.267 179.348 176.870 0.352 0.000 1.089 298 L CA 0.868 55.903 54.840 0.324 0.000 0.757 298 L CB -0.398 41.714 42.059 0.089 0.000 0.899 298 L HN 0.075 nan 8.230 nan 0.000 0.434 299 S N -0.706 115.104 115.700 0.183 0.000 2.447 299 S HA -0.117 4.352 4.470 -0.001 0.000 0.233 299 S C 1.770 176.449 174.600 0.131 0.000 1.006 299 S CA 0.731 59.019 58.200 0.146 0.000 0.957 299 S CB -0.136 63.108 63.200 0.072 0.000 0.773 299 S HN 0.407 nan 8.310 nan 0.000 0.507 300 E N 1.354 121.624 120.200 0.116 0.000 2.153 300 E HA -0.159 4.191 4.350 -0.001 0.000 0.194 300 E C 1.970 178.613 176.600 0.072 0.000 0.988 300 E CA 0.739 57.176 56.400 0.063 0.000 0.811 300 E CB -0.227 29.479 29.700 0.009 0.000 0.746 300 E HN 0.587 nan 8.360 nan 0.000 0.466 301 Q N 0.045 119.904 119.800 0.099 0.000 2.226 301 Q HA -0.091 4.249 4.340 -0.001 0.000 0.204 301 Q C 2.017 178.085 176.000 0.112 0.000 0.975 301 Q CA 0.959 56.771 55.803 0.015 0.000 0.866 301 Q CB 0.251 28.844 28.738 -0.242 0.000 0.915 301 Q HN 0.065 nan 8.270 nan 0.000 0.440 302 V N -0.697 119.305 119.914 0.147 0.000 3.212 302 V HA 0.026 4.145 4.120 -0.001 0.000 0.244 302 V C 1.542 177.673 176.094 0.061 0.000 1.151 302 V CA 0.345 62.733 62.300 0.148 0.000 1.119 302 V CB 0.253 32.126 31.823 0.083 0.000 0.838 302 V HN 0.383 nan 8.190 nan 0.000 0.470 303 L N 0.284 121.542 121.223 0.058 0.000 2.291 303 L HA 0.013 4.353 4.340 -0.001 0.000 0.214 303 L C 2.348 179.213 176.870 -0.008 0.000 1.120 303 L CA 1.407 56.251 54.840 0.006 0.000 0.799 303 L CB -0.332 41.740 42.059 0.023 0.000 0.925 303 L HN 0.206 nan 8.230 nan 0.000 0.446 304 R N -0.464 120.067 120.500 0.051 0.000 2.323 304 R HA -0.033 4.307 4.340 -0.001 0.000 0.198 304 R C 1.871 178.173 176.300 0.002 0.000 0.988 304 R CA 0.346 56.483 56.100 0.062 0.000 1.041 304 R CB -0.302 30.075 30.300 0.128 0.000 0.926 304 R HN 0.302 nan 8.270 nan 0.000 0.476 305 L N 1.914 123.013 121.223 -0.206 0.000 2.129 305 L HA -0.189 4.150 4.340 -0.001 0.000 0.212 305 L C 1.858 178.531 176.870 -0.328 0.000 1.087 305 L CA 1.767 56.229 54.840 -0.630 0.000 0.757 305 L CB -0.227 41.223 42.059 -1.015 0.000 0.896 305 L HN 0.016 nan 8.230 nan 0.000 0.434 306 R N -0.342 120.048 120.500 -0.183 0.000 2.316 306 R HA -0.010 4.329 4.340 -0.001 0.000 0.202 306 R C 2.043 178.316 176.300 -0.044 0.000 1.029 306 R CA 0.671 56.709 56.100 -0.105 0.000 1.018 306 R CB -0.944 29.314 30.300 -0.069 0.000 0.888 306 R HN 0.441 nan 8.270 nan 0.000 0.471 307 L N 0.746 121.954 121.223 -0.024 0.000 2.275 307 L HA -0.033 4.307 4.340 -0.001 0.000 0.215 307 L C 0.849 177.752 176.870 0.055 0.000 1.119 307 L CA 0.657 55.520 54.840 0.037 0.000 0.790 307 L CB -0.378 41.724 42.059 0.072 0.000 0.919 307 L HN 0.026 nan 8.230 nan 0.000 0.443 308 L N 2.116 123.315 121.223 -0.041 0.000 2.401 308 L HA 0.132 4.471 4.340 -0.001 0.000 0.283 308 L C 0.192 177.076 176.870 0.024 0.000 1.151 308 L CA -0.656 54.100 54.840 -0.140 0.000 0.942 308 L CB -0.056 41.785 42.059 -0.364 0.000 1.283 308 L HN 0.159 nan 8.230 nan 0.000 0.442 309 R N 1.896 122.526 120.500 0.217 0.000 2.449 309 R HA 0.507 4.846 4.340 -0.001 0.000 0.296 309 R C 0.971 177.413 176.300 0.238 0.000 1.047 309 R CA 0.096 56.308 56.100 0.186 0.000 1.018 309 R CB -0.007 30.386 30.300 0.155 0.000 0.962 309 R HN 0.680 nan 8.270 nan 0.000 0.428 310 G N 1.907 110.789 108.800 0.137 0.000 2.308 310 G HA2 -0.228 3.732 3.960 -0.001 0.000 0.221 310 G HA3 -0.228 3.732 3.960 -0.001 0.000 0.221 310 G C -0.094 174.880 174.900 0.123 0.000 1.032 310 G CA -0.085 45.095 45.100 0.134 0.000 0.623 310 G HN 0.524 nan 8.290 nan 0.000 0.506 311 I N 2.822 123.451 120.570 0.099 0.000 2.421 311 I HA 0.227 4.396 4.170 -0.001 0.000 0.291 311 I C 1.609 177.711 176.117 -0.025 0.000 1.089 311 I CA 0.525 61.851 61.300 0.043 0.000 1.354 311 I CB 0.983 38.944 38.000 -0.064 0.000 1.413 311 I HN 0.592 nan 8.210 nan 0.000 0.513 312 K N 5.938 126.334 120.400 -0.007 0.000 2.243 312 K HA -0.026 4.293 4.320 -0.001 0.000 0.201 312 K C 0.150 176.697 176.600 -0.088 0.000 1.051 312 K CA 0.739 57.005 56.287 -0.035 0.000 0.970 312 K CB 0.350 32.848 32.500 -0.003 0.000 0.755 312 K HN 0.751 nan 8.250 nan 0.000 0.465 313 N N -1.521 117.104 118.700 -0.124 0.000 3.308 313 N HA 0.015 4.755 4.740 -0.001 0.000 0.276 313 N C -0.284 175.110 175.510 -0.194 0.000 1.533 313 N CA -0.789 52.166 53.050 -0.158 0.000 0.878 313 N CB 0.667 39.087 38.487 -0.112 0.000 1.566 313 N HN -0.159 nan 8.380 nan 0.000 0.546 314 Q N -0.383 119.312 119.800 -0.175 0.000 2.124 314 Q HA 0.061 4.401 4.340 -0.001 0.000 0.202 314 Q C 1.773 177.727 176.000 -0.075 0.000 0.977 314 Q CA 1.540 57.272 55.803 -0.119 0.000 0.850 314 Q CB -0.122 28.570 28.738 -0.078 0.000 0.901 314 Q HN 0.570 nan 8.270 nan 0.000 0.429 315 R N 0.571 121.009 120.500 -0.104 0.000 2.081 315 R HA -0.179 4.160 4.340 -0.001 0.000 0.235 315 R C 1.993 178.161 176.300 -0.220 0.000 1.131 315 R CA 1.583 57.611 56.100 -0.121 0.000 0.960 315 R CB 0.014 30.245 30.300 -0.114 0.000 0.856 315 R HN 0.405 nan 8.270 nan 0.000 0.436 316 Q N -0.543 119.084 119.800 -0.289 0.000 2.119 316 Q HA -0.085 4.255 4.340 -0.001 0.000 0.201 316 Q C 2.113 177.874 176.000 -0.399 0.000 0.972 316 Q CA 1.347 56.812 55.803 -0.564 0.000 0.847 316 Q CB -0.025 28.523 28.738 -0.316 0.000 0.903 316 Q HN 0.411 nan 8.270 nan 0.000 0.433 317 A N 1.671 124.400 122.820 -0.152 0.000 1.877 317 A HA -0.239 4.081 4.320 -0.001 0.000 0.216 317 A C 2.027 179.668 177.584 0.095 0.000 1.186 317 A CA 1.728 53.765 52.037 0.000 0.000 0.620 317 A CB -0.412 18.651 19.000 0.105 0.000 0.822 317 A HN 0.207 nan 8.150 nan 0.000 0.443 318 K N -0.489 119.978 120.400 0.111 0.000 2.001 318 K HA -0.037 4.283 4.320 -0.001 0.000 0.208 318 K C 2.218 178.929 176.600 0.185 0.000 1.048 318 K CA 1.178 57.597 56.287 0.222 0.000 0.932 318 K CB -0.353 32.239 32.500 0.154 0.000 0.715 318 K HN 0.334 nan 8.250 nan 0.000 0.437 319 A N 0.274 123.092 122.820 -0.003 0.000 1.908 319 A HA -0.164 4.156 4.320 -0.001 0.000 0.218 319 A C 1.795 179.461 177.584 0.137 0.000 1.181 319 A CA 1.442 53.478 52.037 -0.001 0.000 0.627 319 A CB -0.647 18.215 19.000 -0.230 0.000 0.818 319 A HN 0.436 nan 8.150 nan 0.000 0.445 320 Y N -1.209 119.125 120.300 0.058 0.000 2.389 320 Y HA 0.293 4.843 4.550 -0.001 0.000 0.292 320 Y C 1.792 177.663 175.900 -0.048 0.000 1.117 320 Y CA 0.252 58.360 58.100 0.013 0.000 1.195 320 Y CB -0.279 38.185 38.460 0.006 0.000 1.076 320 Y HN 0.143 nan 8.280 nan 0.000 0.548 321 L N -0.718 120.524 121.223 0.032 0.000 2.731 321 L HA 0.245 4.585 4.340 -0.001 0.000 0.240 321 L C 0.284 177.076 176.870 -0.130 0.000 1.120 321 L CA -0.011 54.668 54.840 -0.268 0.000 0.913 321 L CB 0.196 41.744 42.059 -0.852 0.000 1.213 321 L HN -0.071 nan 8.230 nan 0.000 0.515 322 R N 0.100 120.677 120.500 0.129 0.000 3.516 322 R HA -0.187 4.153 4.340 -0.001 0.000 0.271 322 R C -0.986 175.730 176.300 0.693 0.000 1.098 322 R CA 0.608 56.908 56.100 0.333 0.000 0.732 322 R CB -2.566 27.657 30.300 -0.128 0.000 1.152 322 R HN 0.106 nan 8.270 nan 0.000 0.455 323 F N 1.048 121.223 119.950 0.374 0.000 2.410 323 F HA 0.420 4.946 4.527 -0.001 0.000 0.349 323 F C 1.123 177.128 175.800 0.341 0.000 1.117 323 F CA -2.057 56.182 58.000 0.399 0.000 1.104 323 F CB 0.924 40.074 39.000 0.251 0.000 1.122 323 F HN -0.137 nan 8.300 nan 0.000 0.483 324 I N 5.540 126.410 120.570 0.501 0.000 2.306 324 I HA 0.227 4.396 4.170 -0.001 0.000 0.288 324 I C -0.437 175.764 176.117 0.140 0.000 1.036 324 I CA -0.485 60.995 61.300 0.299 0.000 1.221 324 I CB -0.074 38.063 38.000 0.228 0.000 1.385 324 I HN 0.299 nan 8.210 nan 0.000 0.472 325 F N 6.685 126.684 119.950 0.081 0.000 2.470 325 F HA 0.496 5.022 4.527 -0.001 0.000 0.329 325 F C -1.829 173.770 175.800 -0.335 0.000 1.072 325 F CA -2.411 55.547 58.000 -0.069 0.000 0.989 325 F CB 0.892 39.804 39.000 -0.145 0.000 1.193 325 F HN 0.268 nan 8.300 nan 0.000 0.481 326 P HA 0.036 nan 4.420 nan 0.000 0.263 326 P C 0.803 177.904 177.300 -0.331 0.000 1.175 326 P CA 0.562 63.165 63.100 -0.829 0.000 0.761 326 P CB 0.508 31.871 31.700 -0.561 0.000 0.794 327 I N 0.402 120.788 120.570 -0.308 0.000 2.286 327 I HA -0.131 4.038 4.170 -0.001 0.000 0.248 327 I C 0.908 176.969 176.117 -0.094 0.000 1.115 327 I CA 1.756 62.970 61.300 -0.142 0.000 1.392 327 I CB -0.108 37.831 38.000 -0.101 0.000 1.065 327 I HN 0.394 nan 8.210 nan 0.000 0.418 328 D N -0.963 119.392 120.400 -0.075 0.000 2.648 328 D HA 0.372 5.011 4.640 -0.001 0.000 0.244 328 D C -1.761 174.554 176.300 0.024 0.000 1.244 328 D CA -0.567 53.414 54.000 -0.031 0.000 0.772 328 D CB 2.020 42.794 40.800 -0.043 0.000 1.379 328 D HN -0.222 nan 8.370 nan 0.000 0.428 329 L N 2.952 124.169 121.223 -0.009 0.000 2.325 329 L HA 0.727 5.067 4.340 -0.001 0.000 0.281 329 L C -1.039 175.714 176.870 -0.195 0.000 1.004 329 L CA -0.579 54.201 54.840 -0.099 0.000 0.823 329 L CB 1.134 43.163 42.059 -0.050 0.000 1.236 329 L HN 0.290 nan 8.230 nan 0.000 0.415 330 V N 2.267 121.961 119.914 -0.367 0.000 3.074 330 V HA 0.810 4.930 4.120 -0.001 0.000 0.314 330 V C -0.914 174.835 176.094 -0.575 0.000 1.117 330 V CA -0.840 61.217 62.300 -0.406 0.000 1.014 330 V CB 1.912 33.514 31.823 -0.368 0.000 1.057 330 V HN 0.883 nan 8.190 nan 0.000 0.438 331 K N 0.279 120.486 120.400 -0.322 0.000 2.328 331 K HA 0.638 4.958 4.320 -0.001 0.000 0.246 331 K C -1.282 175.352 176.600 0.057 0.000 0.955 331 K CA -0.630 55.559 56.287 -0.163 0.000 0.817 331 K CB 2.326 34.799 32.500 -0.045 0.000 1.208 331 K HN 0.660 nan 8.250 nan 0.000 0.432 332 D N 2.934 123.522 120.400 0.314 0.000 2.380 332 D HA 0.163 4.803 4.640 -0.001 0.000 0.230 332 D C -1.587 174.846 176.300 0.221 0.000 1.154 332 D CA -2.505 51.727 54.000 0.388 0.000 0.859 332 D CB 1.423 42.596 40.800 0.621 0.000 1.045 332 D HN 0.353 nan 8.370 nan 0.000 0.495 333 P HA -0.023 nan 4.420 nan 0.000 0.237 333 P C 0.493 177.850 177.300 0.095 0.000 1.178 333 P CA 0.485 63.645 63.100 0.100 0.000 0.766 333 P CB 0.343 32.087 31.700 0.073 0.000 0.876 334 K N -0.648 119.826 120.400 0.124 0.000 2.444 334 K HA 0.093 4.413 4.320 -0.001 0.000 0.193 334 K C 0.637 177.283 176.600 0.078 0.000 1.024 334 K CA 0.277 56.623 56.287 0.099 0.000 1.077 334 K CB 0.247 32.818 32.500 0.117 0.000 0.833 334 K HN 0.075 nan 8.250 nan 0.000 0.517 335 K N 1.362 121.815 120.400 0.088 0.000 2.203 335 K HA 0.243 4.562 4.320 -0.001 0.000 0.251 335 K C -0.289 176.336 176.600 0.043 0.000 0.944 335 K CA -0.748 55.568 56.287 0.047 0.000 0.829 335 K CB 1.927 34.453 32.500 0.044 0.000 1.125 335 K HN -0.018 nan 8.250 nan 0.000 0.430 336 R N 1.531 122.042 120.500 0.019 0.000 2.698 336 R HA -0.045 4.294 4.340 -0.001 0.000 0.266 336 R C 1.005 177.330 176.300 0.041 0.000 1.026 336 R CA 0.557 56.671 56.100 0.024 0.000 1.102 336 R CB 0.511 30.817 30.300 0.010 0.000 0.978 336 R HN 0.523 nan 8.270 nan 0.000 0.436 337 K N 2.331 122.759 120.400 0.048 0.000 2.009 337 K HA -0.132 4.188 4.320 -0.001 0.000 0.210 337 K C 0.321 176.971 176.600 0.084 0.000 1.049 337 K CA 1.670 57.993 56.287 0.059 0.000 0.929 337 K CB -0.004 32.521 32.500 0.041 0.000 0.714 337 K HN 0.537 nan 8.250 nan 0.000 0.440 338 M N 1.319 120.978 119.600 0.097 0.000 2.181 338 M HA 0.342 4.822 4.480 -0.001 0.000 0.323 338 M C -0.956 175.436 176.300 0.152 0.000 1.004 338 M CA -0.266 55.139 55.300 0.174 0.000 0.941 338 M CB 2.034 34.763 32.600 0.216 0.000 1.579 338 M HN -0.052 nan 8.290 nan 0.000 0.427 339 I N 3.763 124.391 120.570 0.098 0.000 2.328 339 I HA 0.369 4.539 4.170 -0.001 0.000 0.287 339 I C 0.206 176.199 176.117 -0.207 0.000 1.012 339 I CA -0.755 60.514 61.300 -0.052 0.000 1.195 339 I CB 0.804 38.743 38.000 -0.102 0.000 1.350 339 I HN 0.547 nan 8.210 nan 0.000 0.464 340 R N 5.171 125.446 120.500 -0.376 0.000 2.442 340 R HA 0.426 4.766 4.340 -0.001 0.000 0.291 340 R C -0.853 175.179 176.300 -0.447 0.000 1.069 340 R CA -0.183 55.495 56.100 -0.702 0.000 1.022 340 R CB 1.176 31.107 30.300 -0.615 0.000 0.976 340 R HN 0.359 nan 8.270 nan 0.000 0.443 341 V N 3.962 123.610 119.914 -0.444 0.000 2.686 341 V HA 0.360 4.480 4.120 -0.001 0.000 0.306 341 V C -0.108 175.830 176.094 -0.260 0.000 1.065 341 V CA -0.941 61.179 62.300 -0.299 0.000 0.894 341 V CB 2.204 33.871 31.823 -0.260 0.000 1.004 341 V HN 0.654 nan 8.190 nan 0.000 0.424 342 R N 5.513 125.894 120.500 -0.197 0.000 2.229 342 R HA 0.836 5.175 4.340 -0.001 0.000 0.332 342 R C -0.900 175.350 176.300 -0.082 0.000 0.989 342 R CA -0.298 55.722 56.100 -0.134 0.000 0.842 342 R CB 0.742 30.975 30.300 -0.111 0.000 1.119 342 R HN 0.833 nan 8.270 nan 0.000 0.456 347 D N 3.985 124.385 120.400 0.000 0.000 2.412 347 D HA 0.289 4.928 4.640 -0.001 0.000 0.224 347 D C 0.087 176.378 176.300 -0.015 0.000 1.093 347 D CA -0.254 53.693 54.000 -0.087 0.000 0.850 347 D CB 1.152 41.891 40.800 -0.101 0.000 1.046 347 D HN 0.281 nan 8.370 nan 0.000 0.507 348 M N 0.989 120.537 119.600 -0.088 0.000 2.471 348 M HA 0.405 4.885 4.480 -0.001 0.000 0.309 348 M C -0.126 176.151 176.300 -0.038 0.000 1.186 348 M CA -0.413 54.928 55.300 0.067 0.000 1.008 348 M CB 1.845 34.460 32.600 0.024 0.000 1.551 348 M HN 0.251 nan 8.290 nan 0.000 0.477 349 W N 1.115 122.486 121.300 0.119 0.000 2.781 349 W HA 0.581 5.241 4.660 -0.000 0.000 0.333 349 W C -1.629 174.998 176.519 0.179 0.000 1.047 349 W CA -0.566 56.853 57.345 0.124 0.000 1.236 349 W CB 2.005 31.553 29.460 0.147 0.000 1.394 349 W HN 0.257 nan 8.180 nan 0.000 0.466 350 V N 5.128 125.193 119.914 0.251 0.000 2.581 350 V HA 0.397 4.517 4.120 -0.001 0.000 0.303 350 V C -0.258 175.949 176.094 0.190 0.000 1.041 350 V CA -0.908 61.495 62.300 0.172 0.000 0.907 350 V CB 1.918 33.721 31.823 -0.033 0.000 0.994 350 V HN 0.203 nan 8.190 nan 0.000 0.442 351 L N 3.381 124.730 121.223 0.211 0.000 2.307 351 L HA 0.416 4.755 4.340 -0.001 0.000 0.282 351 L C 1.138 178.118 176.870 0.183 0.000 1.051 351 L CA 0.498 55.460 54.840 0.204 0.000 0.804 351 L CB 1.872 44.083 42.059 0.253 0.000 1.197 351 L HN 0.816 nan 8.230 nan 0.000 0.431 352 S N 1.325 117.131 115.700 0.177 0.000 2.634 352 S HA 0.260 4.729 4.470 -0.001 0.000 0.221 352 S C 0.613 175.456 174.600 0.406 0.000 0.952 352 S CA -0.376 57.992 58.200 0.280 0.000 0.930 352 S CB -0.227 63.068 63.200 0.159 0.000 0.780 352 S HN 0.446 nan 8.310 nan 0.000 0.498 353 R N 1.571 122.227 120.500 0.261 0.000 2.295 353 R HA 0.717 5.057 4.340 -0.001 0.000 0.324 353 R C -0.740 175.604 176.300 0.074 0.000 0.968 353 R CA -0.677 55.435 56.100 0.020 0.000 0.837 353 R CB 0.679 30.959 30.300 -0.034 0.000 1.133 353 R HN 0.504 nan 8.270 nan 0.000 0.450 354 F N -0.486 119.422 119.950 -0.070 0.000 2.711 354 F HA 0.635 5.162 4.527 -0.000 0.000 0.313 354 F C -1.219 174.477 175.800 -0.172 0.000 1.141 354 F CA -1.666 56.283 58.000 -0.085 0.000 0.941 354 F CB 0.928 40.039 39.000 0.186 0.000 1.349 354 F HN 0.102 nan 8.300 nan 0.000 0.464 355 F N 1.785 121.997 119.950 0.436 0.000 2.397 355 F HA 0.628 5.154 4.527 -0.001 0.000 0.331 355 F C -0.397 175.566 175.800 0.272 0.000 1.090 355 F CA -0.866 57.266 58.000 0.219 0.000 1.065 355 F CB 1.247 40.365 39.000 0.196 0.000 1.184 355 F HN 0.168 nan 8.300 nan 0.000 0.499 356 L N 3.404 124.784 121.223 0.262 0.000 2.289 356 L HA 0.401 4.741 4.340 -0.001 0.000 0.285 356 L C -0.864 175.980 176.870 -0.043 0.000 1.049 356 L CA -0.920 54.021 54.840 0.168 0.000 0.804 356 L CB 0.307 42.417 42.059 0.084 0.000 1.195 356 L HN 0.468 nan 8.230 nan 0.000 0.428 357 Y N 3.502 123.781 120.300 -0.035 0.000 2.602 357 Y HA 0.585 5.134 4.550 -0.001 0.000 0.342 357 Y C -2.078 173.797 175.900 -0.042 0.000 1.029 357 Y CA -1.988 56.036 58.100 -0.127 0.000 1.080 357 Y CB 2.100 40.334 38.460 -0.377 0.000 1.284 357 Y HN 0.463 nan 8.280 nan 0.000 0.485 358 P HA 0.173 nan 4.420 nan 0.000 0.274 358 P C -0.964 176.393 177.300 0.095 0.000 1.237 358 P CA -0.346 62.792 63.100 0.063 0.000 0.793 358 P CB 0.868 32.558 31.700 -0.016 0.000 0.977 359 R N 1.972 122.518 120.500 0.077 0.000 2.401 359 R HA 0.367 4.707 4.340 -0.001 0.000 0.299 359 R C 0.331 176.689 176.300 0.096 0.000 1.064 359 R CA -0.008 56.158 56.100 0.110 0.000 1.000 359 R CB 0.222 30.579 30.300 0.095 0.000 0.973 359 R HN 0.512 nan 8.270 nan 0.000 0.438 360 M N 1.790 121.502 119.600 0.188 0.000 2.716 360 M HA 0.215 4.694 4.480 -0.001 0.000 0.307 360 M C 0.567 176.994 176.300 0.211 0.000 1.223 360 M CA -0.726 54.680 55.300 0.177 0.000 0.871 360 M CB 2.058 34.803 32.600 0.241 0.000 1.739 360 M HN 0.415 nan 8.290 nan 0.000 0.475 361 Q N -0.072 119.666 119.800 -0.103 0.000 2.396 361 Q HA 0.300 4.639 4.340 -0.001 0.000 0.220 361 Q C 0.336 175.587 176.000 -1.249 0.000 0.900 361 Q CA 0.394 55.928 55.803 -0.448 0.000 0.925 361 Q CB 1.188 29.644 28.738 -0.470 0.000 1.065 361 Q HN 0.750 nan 8.270 nan 0.000 0.535 362 S N -0.075 114.882 115.700 -1.239 0.000 2.683 362 S HA 0.447 4.916 4.470 -0.001 0.000 0.269 362 S C -1.834 172.285 174.600 -0.801 0.000 1.165 362 S CA -0.532 56.719 58.200 -1.581 0.000 0.840 362 S CB 0.665 63.406 63.200 -0.765 0.000 1.169 362 S HN 0.362 nan 8.310 nan 0.000 0.490 363 N N 0.289 118.747 118.700 -0.404 0.000 2.509 363 N HA 0.468 5.208 4.740 -0.001 0.000 0.280 363 N C 0.032 175.551 175.510 0.016 0.000 1.306 363 N CA -0.839 52.186 53.050 -0.041 0.000 0.782 363 N CB 0.234 38.810 38.487 0.148 0.000 1.493 363 N HN 0.411 nan 8.380 nan 0.000 0.498 364 L N -0.007 121.239 121.223 0.037 0.000 2.291 364 L HA 0.047 4.386 4.340 -0.001 0.000 0.214 364 L C 1.992 178.950 176.870 0.146 0.000 1.120 364 L CA 1.521 56.406 54.840 0.075 0.000 0.799 364 L CB -1.277 40.804 42.059 0.037 0.000 0.925 364 L HN 0.825 nan 8.230 nan 0.000 0.446 365 H N -0.082 118.957 119.070 -0.051 0.000 2.267 365 H HA -0.177 4.379 4.556 -0.001 0.000 0.297 365 H C 2.193 177.714 175.328 0.322 0.000 1.080 365 H CA 2.699 58.711 56.048 -0.060 0.000 1.278 365 H CB 0.130 29.788 29.762 -0.172 0.000 1.365 365 H HN 0.373 nan 8.280 nan 0.000 0.489 366 I N 0.323 121.079 120.570 0.309 0.000 2.179 366 I HA -0.277 3.893 4.170 -0.001 0.000 0.242 366 I C 2.782 178.998 176.117 0.165 0.000 1.088 366 I CA 0.764 62.204 61.300 0.233 0.000 1.357 366 I CB -0.332 37.766 38.000 0.164 0.000 1.051 366 I HN 0.187 nan 8.210 nan 0.000 0.409 367 L N 1.488 122.789 121.223 0.129 0.000 2.042 367 L HA -0.101 4.239 4.340 -0.001 0.000 0.210 367 L C 2.374 179.300 176.870 0.093 0.000 1.076 367 L CA 2.218 57.111 54.840 0.088 0.000 0.749 367 L CB -1.359 40.740 42.059 0.067 0.000 0.893 367 L HN 0.222 nan 8.230 nan 0.000 0.432 368 G N -0.999 107.925 108.800 0.207 0.000 2.476 368 G HA2 -0.314 3.645 3.960 -0.001 0.000 0.218 368 G HA3 -0.314 3.645 3.960 -0.001 0.000 0.218 368 G C 1.333 176.163 174.900 -0.118 0.000 1.164 368 G CA 0.953 46.090 45.100 0.060 0.000 0.768 368 G HN 0.444 nan 8.290 nan 0.000 0.560 369 D N 0.094 120.489 120.400 -0.008 0.000 2.117 369 D HA -0.089 4.550 4.640 -0.001 0.000 0.197 369 D C 2.781 179.081 176.300 0.000 0.000 0.987 369 D CA 0.961 54.931 54.000 -0.049 0.000 0.829 369 D CB -0.280 40.552 40.800 0.054 0.000 0.961 369 D HN 0.249 nan 8.370 nan 0.000 0.460 370 V N 1.156 121.103 119.914 0.054 0.000 2.453 370 V HA -0.162 3.957 4.120 -0.001 0.000 0.247 370 V C 2.669 178.843 176.094 0.133 0.000 1.048 370 V CA 0.824 63.196 62.300 0.120 0.000 1.049 370 V CB -0.423 31.443 31.823 0.072 0.000 0.672 370 V HN 0.167 nan 8.190 nan 0.000 0.457 371 L N -0.678 120.556 121.223 0.019 0.000 2.012 371 L HA -0.213 4.126 4.340 -0.001 0.000 0.210 371 L C 2.498 179.356 176.870 -0.020 0.000 1.073 371 L CA 1.429 56.255 54.840 -0.023 0.000 0.748 371 L CB -0.649 41.342 42.059 -0.115 0.000 0.891 371 L HN 0.317 nan 8.230 nan 0.000 0.431 372 L N 0.089 121.267 121.223 -0.076 0.000 2.012 372 L HA -0.231 4.108 4.340 -0.001 0.000 0.210 372 L C 2.823 179.659 176.870 -0.057 0.000 1.073 372 L CA 2.212 56.994 54.840 -0.096 0.000 0.748 372 L CB -0.457 41.505 42.059 -0.161 0.000 0.891 372 L HN 0.383 nan 8.230 nan 0.000 0.431 373 S N -2.631 113.046 115.700 -0.039 0.000 2.453 373 S HA -0.155 4.315 4.470 -0.001 0.000 0.231 373 S C 1.471 175.935 174.600 -0.226 0.000 1.005 373 S CA 1.109 59.237 58.200 -0.120 0.000 0.949 373 S CB -0.729 62.386 63.200 -0.142 0.000 0.774 373 S HN 0.655 nan 8.310 nan 0.000 0.510 374 H N 0.029 119.110 119.070 0.018 0.000 2.652 374 H HA 0.452 5.008 4.556 -0.001 0.000 0.274 374 H C 1.974 177.351 175.328 0.081 0.000 1.021 374 H CA 0.320 56.422 56.048 0.090 0.000 1.187 374 H CB 0.309 30.143 29.762 0.120 0.000 1.505 374 H HN 0.369 nan 8.280 nan 0.000 0.530 375 S N -0.399 115.355 115.700 0.090 0.000 2.382 375 S HA -0.162 4.307 4.470 -0.001 0.000 0.228 375 S C 2.181 176.800 174.600 0.030 0.000 1.027 375 S CA 1.608 59.836 58.200 0.046 0.000 0.991 375 S CB -0.085 63.112 63.200 -0.005 0.000 0.823 375 S HN 0.383 nan 8.310 nan 0.000 0.469 376 S N 0.232 115.932 115.700 0.001 0.000 2.428 376 S HA -0.041 4.429 4.470 -0.001 0.000 0.230 376 S C 1.909 176.483 174.600 -0.044 0.000 1.014 376 S CA 1.513 59.699 58.200 -0.023 0.000 0.957 376 S CB -0.232 62.944 63.200 -0.039 0.000 0.784 376 S HN 0.903 nan 8.310 nan 0.000 0.499 377 T N -1.906 112.614 114.554 -0.058 0.000 3.014 377 T HA 0.158 4.507 4.350 -0.001 0.000 0.250 377 T C 0.436 174.910 174.700 -0.377 0.000 1.060 377 T CA 0.187 62.172 62.100 -0.190 0.000 1.040 377 T CB -0.038 68.703 68.868 -0.213 0.000 0.971 377 T HN 0.346 nan 8.240 nan 0.000 0.497 378 H N 0.726 119.817 119.070 0.035 0.000 2.535 378 H HA 0.417 4.972 4.556 -0.001 0.000 0.232 378 H C 1.022 176.345 175.328 -0.007 0.000 1.405 378 H CA -0.451 55.609 56.048 0.019 0.000 1.224 378 H CB 0.937 30.720 29.762 0.035 0.000 1.763 378 H HN 0.289 nan 8.280 nan 0.000 0.529 379 K N 0.685 121.111 120.400 0.044 0.000 2.026 379 K HA -0.112 4.208 4.320 -0.001 0.000 0.208 379 K C 1.510 178.111 176.600 0.002 0.000 1.048 379 K CA 1.556 57.860 56.287 0.029 0.000 0.929 379 K CB 0.452 32.962 32.500 0.017 0.000 0.713 379 K HN 0.071 nan 8.250 nan 0.000 0.439 380 S N 1.079 116.739 115.700 -0.067 0.000 2.357 380 S HA -0.110 4.359 4.470 -0.001 0.000 0.221 380 S C 1.758 176.056 174.600 -0.504 0.000 1.031 380 S CA 1.023 59.052 58.200 -0.285 0.000 0.982 380 S CB -0.306 62.764 63.200 -0.216 0.000 0.853 380 S HN 0.311 nan 8.310 nan 0.000 0.458 381 L N 2.046 123.165 121.223 -0.173 0.000 2.012 381 L HA -0.062 4.278 4.340 -0.001 0.000 0.210 381 L C 2.164 178.996 176.870 -0.063 0.000 1.073 381 L CA 1.666 56.484 54.840 -0.038 0.000 0.748 381 L CB -0.700 41.401 42.059 0.071 0.000 0.891 381 L HN 0.123 nan 8.230 nan 0.000 0.431 382 V N -0.682 119.208 119.914 -0.040 0.000 2.343 382 V HA -0.348 3.771 4.120 -0.001 0.000 0.247 382 V C 2.486 178.532 176.094 -0.080 0.000 1.051 382 V CA 2.114 64.378 62.300 -0.061 0.000 1.036 382 V CB -0.927 30.884 31.823 -0.020 0.000 0.654 382 V HN 0.715 nan 8.190 nan 0.000 0.451 383 H N -0.621 118.362 119.070 -0.145 0.000 2.352 383 H HA -0.212 4.344 4.556 -0.001 0.000 0.299 383 H C 2.420 177.750 175.328 0.003 0.000 1.097 383 H CA 2.192 58.204 56.048 -0.060 0.000 1.311 383 H CB -0.015 29.760 29.762 0.022 0.000 1.377 383 H HN 0.632 nan 8.280 nan 0.000 0.504 384 H N -0.898 118.247 119.070 0.124 0.000 2.357 384 H HA -0.039 4.517 4.556 -0.001 0.000 0.301 384 H C 2.439 177.698 175.328 -0.114 0.000 1.082 384 H CA 0.322 56.370 56.048 -0.000 0.000 1.342 384 H CB 0.089 29.834 29.762 -0.028 0.000 1.389 384 H HN 0.485 nan 8.280 nan 0.000 0.511 385 A N 1.529 124.323 122.820 -0.043 0.000 1.902 385 A HA -0.196 4.124 4.320 -0.001 0.000 0.217 385 A C 2.268 179.723 177.584 -0.214 0.000 1.181 385 A CA 1.451 53.391 52.037 -0.162 0.000 0.623 385 A CB -0.387 18.506 19.000 -0.179 0.000 0.818 385 A HN 0.320 nan 8.150 nan 0.000 0.443 386 R N -0.615 119.685 120.500 -0.333 0.000 2.096 386 R HA -0.019 4.321 4.340 -0.001 0.000 0.235 386 R C 2.069 178.126 176.300 -0.405 0.000 1.127 386 R CA 1.260 56.956 56.100 -0.674 0.000 0.968 386 R CB -0.490 28.932 30.300 -1.463 0.000 0.861 386 R HN 0.509 nan 8.270 nan 0.000 0.440 387 L N 0.404 121.592 121.223 -0.058 0.000 1.989 387 L HA -0.264 4.076 4.340 -0.001 0.000 0.211 387 L C 2.722 179.620 176.870 0.046 0.000 1.071 387 L CA 1.504 56.446 54.840 0.170 0.000 0.749 387 L CB -0.473 41.709 42.059 0.204 0.000 0.890 387 L HN 0.188 nan 8.230 nan 0.000 0.431 388 Q N 0.491 120.268 119.800 -0.038 0.000 2.061 388 Q HA -0.206 4.133 4.340 -0.001 0.000 0.204 388 Q C 2.114 178.088 176.000 -0.044 0.000 0.984 388 Q CA 1.823 57.585 55.803 -0.069 0.000 0.846 388 Q CB -0.417 28.241 28.738 -0.134 0.000 0.902 388 Q HN 0.452 nan 8.270 nan 0.000 0.421 389 L N -0.442 120.740 121.223 -0.068 0.000 2.083 389 L HA -0.179 4.161 4.340 -0.001 0.000 0.209 389 L C 2.333 179.233 176.870 0.051 0.000 1.083 389 L CA 1.669 56.486 54.840 -0.037 0.000 0.752 389 L CB -0.723 41.281 42.059 -0.091 0.000 0.899 389 L HN 0.282 nan 8.230 nan 0.000 0.433 390 T N 0.148 114.759 114.554 0.096 0.000 2.737 390 T HA -0.139 4.211 4.350 -0.001 0.000 0.265 390 T C 1.982 176.815 174.700 0.220 0.000 1.038 390 T CA 1.148 63.386 62.100 0.230 0.000 1.144 390 T CB -0.265 68.835 68.868 0.387 0.000 0.866 390 T HN 0.165 nan 8.240 nan 0.000 0.434 391 L N 0.842 122.153 121.223 0.146 0.000 2.012 391 L HA -0.160 4.180 4.340 -0.001 0.000 0.210 391 L C 3.046 180.023 176.870 0.179 0.000 1.073 391 L CA 1.125 56.047 54.840 0.137 0.000 0.748 391 L CB -0.530 41.525 42.059 -0.007 0.000 0.891 391 L HN 0.174 nan 8.230 nan 0.000 0.431 392 Q N -0.218 119.648 119.800 0.110 0.000 2.084 392 Q HA -0.131 4.209 4.340 -0.001 0.000 0.202 392 Q C 2.362 178.455 176.000 0.155 0.000 0.978 392 Q CA 1.376 57.236 55.803 0.095 0.000 0.844 392 Q CB -0.375 28.376 28.738 0.022 0.000 0.898 392 Q HN 0.526 nan 8.270 nan 0.000 0.426 393 L N -0.004 121.331 121.223 0.185 0.000 2.017 393 L HA -0.176 4.164 4.340 -0.001 0.000 0.208 393 L C 2.410 179.436 176.870 0.261 0.000 1.073 393 L CA 1.068 56.074 54.840 0.278 0.000 0.745 393 L CB -0.576 41.655 42.059 0.287 0.000 0.894 393 L HN 0.197 nan 8.230 nan 0.000 0.432 394 I N -0.368 120.333 120.570 0.218 0.000 2.208 394 I HA -0.325 3.844 4.170 -0.001 0.000 0.245 394 I C 2.758 178.959 176.117 0.141 0.000 1.097 394 I CA 1.384 62.785 61.300 0.168 0.000 1.363 394 I CB -0.339 37.865 38.000 0.340 0.000 1.051 394 I HN 0.226 nan 8.210 nan 0.000 0.413 395 R N 0.469 121.082 120.500 0.188 0.000 2.092 395 R HA -0.101 4.239 4.340 -0.001 0.000 0.231 395 R C 2.323 178.734 176.300 0.186 0.000 1.119 395 R CA 1.161 57.351 56.100 0.151 0.000 0.970 395 R CB -0.322 30.064 30.300 0.143 0.000 0.864 395 R HN 0.329 nan 8.270 nan 0.000 0.440 396 L N -0.010 121.371 121.223 0.263 0.000 2.017 396 L HA -0.146 4.194 4.340 -0.001 0.000 0.208 396 L C 2.656 179.786 176.870 0.434 0.000 1.073 396 L CA 1.336 56.435 54.840 0.432 0.000 0.745 396 L CB -0.536 41.806 42.059 0.471 0.000 0.894 396 L HN 0.238 nan 8.230 nan 0.000 0.432 397 A N -0.119 122.831 122.820 0.216 0.000 1.930 397 A HA -0.133 4.186 4.320 -0.001 0.000 0.217 397 A C 2.515 180.126 177.584 0.045 0.000 1.175 397 A CA 1.564 53.566 52.037 -0.059 0.000 0.627 397 A CB -0.683 18.025 19.000 -0.486 0.000 0.815 397 A HN 0.397 nan 8.150 nan 0.000 0.443 398 A N -0.528 122.329 122.820 0.061 0.000 1.933 398 A HA -0.073 4.247 4.320 -0.001 0.000 0.218 398 A C 2.415 180.085 177.584 0.143 0.000 1.175 398 A CA 2.041 54.108 52.037 0.050 0.000 0.628 398 A CB -0.755 18.250 19.000 0.009 0.000 0.814 398 A HN 0.443 nan 8.150 nan 0.000 0.444 399 S N -0.204 115.645 115.700 0.248 0.000 2.383 399 S HA -0.055 4.415 4.470 -0.001 0.000 0.227 399 S C 1.810 176.762 174.600 0.586 0.000 1.026 399 S CA 1.229 59.653 58.200 0.373 0.000 0.981 399 S CB -0.423 62.954 63.200 0.296 0.000 0.818 399 S HN 0.524 nan 8.310 nan 0.000 0.472 400 L N 1.317 122.885 121.223 0.576 0.000 2.012 400 L HA -0.217 4.122 4.340 -0.001 0.000 0.210 400 L C 2.874 179.996 176.870 0.421 0.000 1.073 400 L CA 1.605 56.771 54.840 0.543 0.000 0.748 400 L CB -0.556 41.756 42.059 0.421 0.000 0.891 400 L HN 0.396 nan 8.230 nan 0.000 0.431 401 Q N -0.788 119.132 119.800 0.200 0.000 2.050 401 Q HA -0.279 4.060 4.340 -0.001 0.000 0.202 401 Q C 2.349 178.312 176.000 -0.061 0.000 0.980 401 Q CA 1.618 57.329 55.803 -0.154 0.000 0.840 401 Q CB -0.186 28.309 28.738 -0.406 0.000 0.898 401 Q HN 0.534 nan 8.270 nan 0.000 0.424 402 H N -0.732 118.324 119.070 -0.023 0.000 2.353 402 H HA -0.190 4.365 4.556 -0.000 0.000 0.298 402 H C 0.901 176.182 175.328 -0.078 0.000 1.103 402 H CA 1.783 57.782 56.048 -0.081 0.000 1.293 402 H CB -0.036 29.651 29.762 -0.125 0.000 1.372 402 H HN 0.389 nan 8.280 nan 0.000 0.501 403 Y N -0.212 120.171 120.300 0.138 0.000 2.529 403 Y HA 0.138 4.687 4.550 -0.001 0.000 0.290 403 Y C 1.867 177.861 175.900 0.157 0.000 1.177 403 Y CA 0.608 58.782 58.100 0.122 0.000 1.305 403 Y CB 0.298 38.901 38.460 0.239 0.000 1.047 403 Y HN 0.460 nan 8.280 nan 0.000 0.522 404 G N 0.568 109.573 108.800 0.342 0.000 2.147 404 G HA2 -0.265 3.695 3.960 -0.001 0.000 0.244 404 G HA3 -0.265 3.695 3.960 -0.001 0.000 0.244 404 G C -0.241 174.935 174.900 0.461 0.000 1.005 404 G CA 0.148 45.527 45.100 0.466 0.000 0.713 404 G HN 0.275 nan 8.290 nan 0.000 0.515 405 L N -0.854 120.676 121.223 0.512 0.000 2.319 405 L HA 0.841 5.181 4.340 -0.001 0.000 0.267 405 L C 0.140 177.238 176.870 0.379 0.000 1.011 405 L CA -1.526 53.530 54.840 0.360 0.000 0.818 405 L CB 2.230 44.497 42.059 0.346 0.000 1.316 405 L HN -0.084 nan 8.230 nan 0.000 0.432 406 V N 0.269 120.321 119.914 0.229 0.000 2.531 406 V HA 0.201 4.321 4.120 -0.001 0.000 0.301 406 V C 0.524 176.744 176.094 0.211 0.000 1.034 406 V CA -0.520 61.907 62.300 0.211 0.000 0.865 406 V CB 1.390 33.246 31.823 0.054 0.000 0.995 406 V HN 0.771 nan 8.190 nan 0.000 0.424 407 H N 4.425 123.601 119.070 0.177 0.000 2.372 407 H HA -0.003 4.552 4.556 -0.001 0.000 0.301 407 H C 1.718 177.108 175.328 0.102 0.000 1.065 407 H CA 1.752 57.886 56.048 0.145 0.000 1.364 407 H CB 0.595 30.451 29.762 0.158 0.000 1.406 407 H HN 0.959 nan 8.280 nan 0.000 0.521 408 A N 0.481 123.471 122.820 0.284 0.000 3.396 408 A HA -0.224 4.096 4.320 -0.001 0.000 0.267 408 A C 0.727 178.472 177.584 0.268 0.000 1.139 408 A CA 1.553 53.660 52.037 0.117 0.000 1.115 408 A CB -1.904 16.978 19.000 -0.196 0.000 1.133 408 A HN 0.545 nan 8.150 nan 0.000 0.920 409 D N -2.066 118.610 120.400 0.460 0.000 2.940 409 D HA 0.352 4.991 4.640 -0.001 0.000 0.366 409 D C -0.495 175.937 176.300 0.221 0.000 1.446 409 D CA -0.298 53.874 54.000 0.287 0.000 0.780 409 D CB -0.356 40.529 40.800 0.141 0.000 1.206 409 D HN 0.332 nan 8.370 nan 0.000 0.454 410 F N 2.728 122.717 119.950 0.065 0.000 2.509 410 F HA 0.308 4.834 4.527 -0.001 0.000 0.350 410 F C -0.179 175.575 175.800 -0.076 0.000 1.220 410 F CA -0.029 57.860 58.000 -0.186 0.000 1.151 410 F CB -0.028 38.888 39.000 -0.139 0.000 1.379 410 F HN -0.007 nan 8.300 nan 0.000 0.610 411 Q N 1.863 121.528 119.800 -0.225 0.000 2.511 411 Q HA 0.351 4.691 4.340 -0.001 0.000 0.289 411 Q C 0.154 175.988 176.000 -0.277 0.000 1.021 411 Q CA -0.598 55.117 55.803 -0.147 0.000 0.785 411 Q CB 0.921 29.550 28.738 -0.183 0.000 1.472 411 Q HN 0.168 nan 8.270 nan 0.000 0.411 412 V N -1.598 118.184 119.914 -0.220 0.000 2.720 412 V HA -0.169 3.951 4.120 -0.001 0.000 0.256 412 V C 1.572 177.554 176.094 -0.188 0.000 1.082 412 V CA 1.715 63.870 62.300 -0.240 0.000 1.101 412 V CB -0.748 30.846 31.823 -0.381 0.000 0.693 412 V HN 0.748 nan 8.190 nan 0.000 0.479 413 R N 0.746 121.123 120.500 -0.205 0.000 2.189 413 R HA 0.029 4.368 4.340 -0.001 0.000 0.218 413 R C 1.600 177.816 176.300 -0.140 0.000 1.074 413 R CA 1.242 57.249 56.100 -0.155 0.000 0.991 413 R CB -0.380 29.782 30.300 -0.230 0.000 0.883 413 R HN 0.520 nan 8.270 nan 0.000 0.457 414 N N 0.198 118.768 118.700 -0.217 0.000 2.336 414 N HA 0.044 4.783 4.740 -0.001 0.000 0.189 414 N C -0.390 174.958 175.510 -0.270 0.000 1.113 414 N CA 0.450 53.351 53.050 -0.248 0.000 0.858 414 N CB 0.507 38.802 38.487 -0.321 0.000 0.970 414 N HN 0.041 nan 8.380 nan 0.000 0.471 415 I N 2.134 122.571 120.570 -0.221 0.000 2.312 415 I HA 0.282 4.452 4.170 -0.001 0.000 0.290 415 I C 0.240 176.353 176.117 -0.007 0.000 1.008 415 I CA -0.465 60.747 61.300 -0.147 0.000 1.226 415 I CB 0.465 38.364 38.000 -0.169 0.000 1.371 415 I HN -0.213 nan 8.210 nan 0.000 0.468 416 L N 6.735 128.012 121.223 0.088 0.000 2.334 416 L HA 0.631 4.971 4.340 -0.001 0.000 0.272 416 L C -0.634 176.381 176.870 0.241 0.000 1.020 416 L CA -0.947 53.983 54.840 0.151 0.000 0.812 416 L CB 1.902 44.063 42.059 0.171 0.000 1.264 416 L HN 0.310 nan 8.230 nan 0.000 0.439 417 L N 1.456 122.778 121.223 0.165 0.000 2.381 417 L HA 0.399 4.739 4.340 -0.001 0.000 0.274 417 L C -0.503 176.493 176.870 0.211 0.000 0.988 417 L CA -0.624 54.363 54.840 0.245 0.000 0.824 417 L CB 1.756 43.943 42.059 0.212 0.000 1.263 417 L HN 0.570 nan 8.230 nan 0.000 0.410 418 D N 1.149 121.750 120.400 0.335 0.000 2.466 418 D HA 0.073 4.713 4.640 -0.001 0.000 0.262 418 D C 0.753 177.212 176.300 0.265 0.000 1.177 418 D CA -0.605 53.522 54.000 0.213 0.000 1.035 418 D CB 0.722 41.632 40.800 0.183 0.000 1.105 418 D HN 0.657 nan 8.370 nan 0.000 0.551 419 Q N -0.548 119.355 119.800 0.172 0.000 2.364 419 Q HA -0.075 4.265 4.340 -0.001 0.000 0.207 419 Q C 1.153 177.338 176.000 0.308 0.000 0.970 419 Q CA 0.931 56.843 55.803 0.182 0.000 0.888 419 Q CB -0.185 28.596 28.738 0.073 0.000 0.951 419 Q HN 0.307 nan 8.270 nan 0.000 0.469 420 R N 0.065 120.717 120.500 0.253 0.000 2.356 420 R HA 0.189 4.528 4.340 -0.001 0.000 0.234 420 R C 0.632 177.012 176.300 0.133 0.000 0.929 420 R CA 0.573 56.785 56.100 0.186 0.000 1.084 420 R CB 0.426 30.821 30.300 0.159 0.000 1.105 420 R HN 0.516 nan 8.270 nan 0.000 0.515 421 G N -0.238 108.675 108.800 0.188 0.000 2.148 421 G HA2 -0.259 3.701 3.960 -0.001 0.000 0.254 421 G HA3 -0.259 3.701 3.960 -0.001 0.000 0.254 421 G C 0.415 175.320 174.900 0.008 0.000 0.981 421 G CA -0.112 44.961 45.100 -0.045 0.000 0.670 421 G HN 0.527 nan 8.290 nan 0.000 0.528 422 G N -0.943 107.944 108.800 0.145 0.000 2.442 422 G HA2 0.573 4.532 3.960 -0.001 0.000 0.249 422 G HA3 0.573 4.532 3.960 -0.001 0.000 0.249 422 G C 0.013 174.907 174.900 -0.009 0.000 1.263 422 G CA 0.250 45.365 45.100 0.026 0.000 0.846 422 G HN 0.990 nan 8.290 nan 0.000 0.555 423 V N 2.058 121.799 119.914 -0.289 0.000 2.398 423 V HA 0.562 4.682 4.120 -0.001 0.000 0.286 423 V C -0.635 175.240 176.094 -0.365 0.000 1.026 423 V CA -0.412 61.799 62.300 -0.149 0.000 0.868 423 V CB 0.711 32.488 31.823 -0.077 0.000 0.982 423 V HN 0.547 nan 8.190 nan 0.000 0.443 424 F N 4.080 124.083 119.950 0.087 0.000 2.563 424 F HA 0.661 5.187 4.527 -0.001 0.000 0.316 424 F C -0.379 175.457 175.800 0.061 0.000 1.076 424 F CA -0.896 57.183 58.000 0.132 0.000 0.921 424 F CB 2.024 41.109 39.000 0.142 0.000 1.209 424 F HN 0.318 nan 8.300 nan 0.000 0.462 425 L N 1.959 123.351 121.223 0.282 0.000 2.282 425 L HA 0.684 5.023 4.340 -0.001 0.000 0.288 425 L C -0.140 176.702 176.870 -0.047 0.000 1.033 425 L CA 0.417 55.236 54.840 -0.033 0.000 0.807 425 L CB 1.318 43.289 42.059 -0.146 0.000 1.209 425 L HN 0.706 nan 8.230 nan 0.000 0.423 426 T N 2.574 116.967 114.554 -0.267 0.000 2.762 426 T HA 0.662 5.012 4.350 -0.001 0.000 0.272 426 T C 0.134 174.480 174.700 -0.590 0.000 0.982 426 T CA -0.089 61.839 62.100 -0.287 0.000 1.013 426 T CB 1.074 69.893 68.868 -0.083 0.000 1.309 426 T HN 1.299 nan 8.240 nan 0.000 0.572 427 G N 1.077 109.633 108.800 -0.407 0.000 2.326 427 G HA2 -0.181 3.779 3.960 -0.001 0.000 0.286 427 G HA3 -0.181 3.779 3.960 -0.001 0.000 0.286 427 G C 0.102 174.697 174.900 -0.509 0.000 1.096 427 G CA 0.172 45.079 45.100 -0.322 0.000 1.003 427 G HN 0.545 nan 8.290 nan 0.000 0.503 428 F N 0.018 119.755 119.950 -0.354 0.000 2.693 428 F HA 0.277 4.804 4.527 -0.001 0.000 0.303 428 F C 1.918 177.548 175.800 -0.284 0.000 1.143 428 F CA 0.379 58.121 58.000 -0.428 0.000 1.389 428 F CB 0.302 39.025 39.000 -0.462 0.000 1.060 428 F HN 0.310 nan 8.300 nan 0.000 0.535 429 E N -0.723 119.363 120.200 -0.190 0.000 2.267 429 E HA -0.189 4.161 4.350 -0.001 0.000 0.197 429 E C 0.754 177.052 176.600 -0.503 0.000 0.998 429 E CA 1.320 57.521 56.400 -0.331 0.000 0.830 429 E CB -0.331 29.071 29.700 -0.496 0.000 0.751 429 E HN 0.551 nan 8.360 nan 0.000 0.491 430 H N -1.355 117.641 119.070 -0.124 0.000 2.581 430 H HA 0.240 4.795 4.556 -0.001 0.000 0.275 430 H C -0.554 174.708 175.328 -0.110 0.000 1.126 430 H CA -0.632 55.349 56.048 -0.112 0.000 1.097 430 H CB 0.324 30.010 29.762 -0.126 0.000 1.626 430 H HN -0.015 nan 8.280 nan 0.000 0.565 431 L N 2.923 124.135 121.223 -0.018 0.000 2.534 431 L HA 0.155 4.494 4.340 -0.001 0.000 0.271 431 L C 0.071 176.977 176.870 0.060 0.000 1.178 431 L CA 0.088 54.961 54.840 0.054 0.000 0.907 431 L CB -0.107 42.053 42.059 0.170 0.000 1.164 431 L HN 0.149 nan 8.230 nan 0.000 0.482 432 V N 2.800 122.747 119.914 0.056 0.000 3.160 432 V HA 0.695 4.815 4.120 -0.001 0.000 0.310 432 V C -0.028 176.092 176.094 0.044 0.000 1.181 432 V CA -1.333 60.986 62.300 0.030 0.000 1.047 432 V CB 1.677 33.490 31.823 -0.016 0.000 1.068 432 V HN 0.624 nan 8.190 nan 0.000 0.441 433 R N 1.438 121.951 120.500 0.022 0.000 2.543 433 R HA 0.255 4.595 4.340 -0.001 0.000 0.277 433 R C -0.202 176.061 176.300 -0.062 0.000 1.074 433 R CA 0.042 56.151 56.100 0.017 0.000 1.076 433 R CB 0.444 30.752 30.300 0.014 0.000 0.993 433 R HN 1.118 nan 8.270 nan 0.000 0.459 434 D N 0.558 120.876 120.400 -0.137 0.000 2.583 434 D HA 0.066 4.706 4.640 -0.001 0.000 0.232 434 D C 1.073 177.236 176.300 -0.229 0.000 1.128 434 D CA 2.093 55.874 54.000 -0.364 0.000 0.859 434 D CB 0.350 40.637 40.800 -0.856 0.000 1.169 434 D HN 0.674 nan 8.370 nan 0.000 0.481 435 G N 2.099 110.773 108.800 -0.210 0.000 2.217 435 G HA2 -0.190 3.770 3.960 -0.001 0.000 0.246 435 G HA3 -0.190 3.770 3.960 -0.001 0.000 0.246 435 G C 0.501 175.342 174.900 -0.098 0.000 0.990 435 G CA 0.228 45.249 45.100 -0.132 0.000 0.627 435 G HN 0.964 nan 8.290 nan 0.000 0.522 436 A N 0.089 122.851 122.820 -0.096 0.000 2.406 436 A HA 0.682 5.001 4.320 -0.001 0.000 0.243 436 A C 0.685 178.213 177.584 -0.094 0.000 1.082 436 A CA 1.052 53.042 52.037 -0.078 0.000 0.786 436 A CB 0.477 19.439 19.000 -0.063 0.000 1.029 436 A HN 1.091 nan 8.150 nan 0.000 0.495 437 S N 0.192 115.842 115.700 -0.084 0.000 2.433 437 S HA 0.687 5.157 4.470 -0.001 0.000 0.310 437 S C -0.060 174.482 174.600 -0.096 0.000 1.097 437 S CA 0.159 58.298 58.200 -0.102 0.000 1.103 437 S CB 1.096 64.237 63.200 -0.098 0.000 0.992 437 S HN 1.379 nan 8.310 nan 0.000 0.469 438 A N 2.626 125.374 122.820 -0.120 0.000 2.588 438 A HA 0.789 5.109 4.320 -0.001 0.000 0.290 438 A C -1.296 176.215 177.584 -0.121 0.000 1.136 438 A CA -0.705 51.274 52.037 -0.096 0.000 0.681 438 A CB 0.877 19.834 19.000 -0.071 0.000 1.282 438 A HN 0.542 nan 8.150 nan 0.000 0.421 439 V N 1.706 121.577 119.914 -0.073 0.000 2.348 439 V HA 0.459 4.579 4.120 -0.001 0.000 0.270 439 V C 0.800 176.799 176.094 -0.158 0.000 1.037 439 V CA -0.238 62.013 62.300 -0.083 0.000 0.872 439 V CB 0.774 32.585 31.823 -0.020 0.000 1.002 439 V HN 0.864 nan 8.190 nan 0.000 0.464 440 S N 7.173 122.744 115.700 -0.215 0.000 2.549 440 S HA 0.286 4.755 4.470 -0.001 0.000 0.279 440 S C -0.684 173.778 174.600 -0.230 0.000 1.321 440 S CA -0.988 57.055 58.200 -0.261 0.000 1.054 440 S CB 1.034 64.149 63.200 -0.143 0.000 0.899 440 S HN 0.718 nan 8.310 nan 0.000 0.497 441 P HA 0.137 nan 4.420 nan 0.000 0.245 441 P C 0.514 177.741 177.300 -0.121 0.000 1.212 441 P CA 0.066 63.013 63.100 -0.256 0.000 0.774 441 P CB 0.047 31.533 31.700 -0.357 0.000 0.999 442 I N 0.479 121.016 120.570 -0.055 0.000 2.696 442 I HA 0.166 4.336 4.170 -0.001 0.000 0.284 442 I C 1.041 177.183 176.117 0.042 0.000 1.129 442 I CA -0.203 61.085 61.300 -0.021 0.000 1.410 442 I CB 0.900 38.965 38.000 0.109 0.000 1.399 442 I HN -0.043 nan 8.210 nan 0.000 0.579 443 G N 5.056 113.879 108.800 0.038 0.000 2.599 443 G HA2 0.184 4.144 3.960 -0.001 0.000 0.264 443 G HA3 0.184 4.144 3.960 -0.001 0.000 0.264 443 G C 0.784 175.828 174.900 0.240 0.000 1.200 443 G CA -0.462 44.726 45.100 0.145 0.000 0.896 443 G HN 0.756 nan 8.290 nan 0.000 0.536 444 R N 0.314 120.920 120.500 0.176 0.000 2.119 444 R HA -0.145 4.195 4.340 -0.001 0.000 0.246 444 R C 2.683 179.081 176.300 0.163 0.000 1.146 444 R CA 1.505 57.688 56.100 0.138 0.000 0.962 444 R CB -0.512 29.846 30.300 0.096 0.000 0.863 444 R HN 0.568 nan 8.270 nan 0.000 0.442 445 G N 0.008 108.934 108.800 0.211 0.000 2.448 445 G HA2 -0.207 3.752 3.960 -0.001 0.000 0.219 445 G HA3 -0.207 3.752 3.960 -0.001 0.000 0.219 445 G C 1.061 176.002 174.900 0.069 0.000 1.127 445 G CA 0.455 45.623 45.100 0.113 0.000 0.766 445 G HN 0.252 nan 8.290 nan 0.000 0.552 446 F N 1.153 121.187 119.950 0.138 0.000 2.714 446 F HA 0.478 5.005 4.527 -0.001 0.000 0.294 446 F C 1.873 177.792 175.800 0.198 0.000 1.120 446 F CA -0.300 57.807 58.000 0.179 0.000 1.398 446 F CB 0.303 39.378 39.000 0.125 0.000 1.120 446 F HN 0.108 nan 8.300 nan 0.000 0.589 447 A N 1.519 124.491 122.820 0.253 0.000 2.477 447 A HA 0.314 4.633 4.320 -0.001 0.000 0.246 447 A C -2.236 175.182 177.584 -0.277 0.000 1.078 447 A CA -1.387 50.657 52.037 0.012 0.000 0.770 447 A CB -0.500 18.529 19.000 0.048 0.000 1.011 447 A HN -0.083 nan 8.150 nan 0.000 0.494 448 P HA 0.021 nan 4.420 nan 0.000 0.266 448 P C -1.885 174.915 177.300 -0.833 0.000 1.186 448 P CA -0.784 61.533 63.100 -1.304 0.000 0.767 448 P CB 0.024 31.188 31.700 -0.893 0.000 0.820 449 P HA -0.221 nan 4.420 nan 0.000 0.216 449 P C 1.393 178.427 177.300 -0.444 0.000 1.150 449 P CA 1.551 64.273 63.100 -0.630 0.000 0.843 449 P CB -0.269 30.919 31.700 -0.853 0.000 0.787 450 E N -0.786 119.128 120.200 -0.477 0.000 2.204 450 E HA -0.123 4.227 4.350 -0.001 0.000 0.194 450 E C 1.394 177.894 176.600 -0.166 0.000 0.989 450 E CA 1.485 57.716 56.400 -0.281 0.000 0.824 450 E CB -1.668 27.882 29.700 -0.250 0.000 0.756 450 E HN 0.159 nan 8.360 nan 0.000 0.477 451 T N 1.380 115.834 114.554 -0.166 0.000 2.737 451 T HA -0.090 4.260 4.350 -0.001 0.000 0.265 451 T C 1.847 176.524 174.700 -0.039 0.000 1.038 451 T CA 2.123 64.195 62.100 -0.047 0.000 1.144 451 T CB -0.479 68.408 68.868 0.033 0.000 0.866 451 T HN 0.311 nan 8.240 nan 0.000 0.434 452 T N 2.038 116.545 114.554 -0.078 0.000 2.803 452 T HA -0.043 4.306 4.350 -0.001 0.000 0.269 452 T C 2.316 176.996 174.700 -0.032 0.000 1.052 452 T CA 1.067 63.140 62.100 -0.045 0.000 1.136 452 T CB -0.455 68.375 68.868 -0.064 0.000 0.864 452 T HN 0.431 nan 8.240 nan 0.000 0.467 453 A N 2.515 125.303 122.820 -0.053 0.000 1.841 453 A HA -0.125 4.195 4.320 -0.001 0.000 0.214 453 A C 2.188 179.770 177.584 -0.005 0.000 1.195 453 A CA 1.530 53.548 52.037 -0.032 0.000 0.611 453 A CB -0.540 18.430 19.000 -0.050 0.000 0.835 453 A HN 0.723 nan 8.150 nan 0.000 0.443 454 E N -0.522 119.674 120.200 -0.007 0.000 2.516 454 E HA -0.006 4.344 4.350 -0.001 0.000 0.199 454 E C 0.989 177.636 176.600 0.079 0.000 1.069 454 E CA 0.052 56.467 56.400 0.024 0.000 0.876 454 E CB -0.036 29.656 29.700 -0.014 0.000 0.843 454 E HN 0.496 nan 8.360 nan 0.000 0.530 464 P HA 0.060 nan 4.420 nan 0.000 0.264 464 P C -0.147 176.974 177.300 -0.298 0.000 1.183 464 P CA 0.248 63.221 63.100 -0.211 0.000 0.763 464 P CB 1.131 32.737 31.700 -0.157 0.000 0.807 465 T N 0.072 114.504 114.554 -0.204 0.000 2.942 465 T HA 0.405 4.755 4.350 -0.001 0.000 0.289 465 T C -0.020 174.585 174.700 -0.158 0.000 1.044 465 T CA -1.196 60.801 62.100 -0.173 0.000 1.023 465 T CB 1.008 69.814 68.868 -0.103 0.000 1.123 465 T HN 0.173 nan 8.240 nan 0.000 0.512 466 L N 2.056 123.208 121.223 -0.119 0.000 2.559 466 L HA 0.316 4.655 4.340 -0.001 0.000 0.274 466 L C -0.299 176.495 176.870 -0.127 0.000 1.205 466 L CA 0.366 55.143 54.840 -0.105 0.000 0.907 466 L CB -0.276 41.741 42.059 -0.070 0.000 1.153 466 L HN 0.656 nan 8.230 nan 0.000 0.490 467 M N 5.765 125.271 119.600 -0.156 0.000 2.036 467 M HA 0.352 4.832 4.480 -0.001 0.000 0.337 467 M C -0.095 176.110 176.300 -0.158 0.000 1.012 467 M CA -0.312 54.867 55.300 -0.201 0.000 0.962 467 M CB 0.589 33.046 32.600 -0.239 0.000 1.423 467 M HN 0.765 nan 8.290 nan 0.000 0.405 468 T N -1.805 112.694 114.554 -0.093 0.000 2.907 468 T HA 0.629 4.978 4.350 -0.001 0.000 0.290 468 T C 0.963 175.650 174.700 -0.023 0.000 1.066 468 T CA -0.674 61.325 62.100 -0.169 0.000 1.012 468 T CB 1.106 69.908 68.868 -0.109 0.000 1.184 468 T HN 0.261 nan 8.240 nan 0.000 0.522 469 F N 0.962 120.976 119.950 0.107 0.000 2.120 469 F HA 0.113 4.639 4.527 -0.001 0.000 0.300 469 F C -0.748 175.130 175.800 0.131 0.000 1.095 469 F CA 0.749 58.816 58.000 0.113 0.000 1.249 469 F CB -2.226 36.827 39.000 0.088 0.000 0.995 469 F HN 0.446 nan 8.300 nan 0.000 0.480 470 P HA -0.146 nan 4.420 nan 0.000 0.230 470 P C 1.660 179.095 177.300 0.225 0.000 1.158 470 P CA 0.982 64.222 63.100 0.234 0.000 0.769 470 P CB -0.341 31.466 31.700 0.178 0.000 0.807 471 F N 1.526 121.538 119.950 0.103 0.000 2.051 471 F HA -0.192 4.335 4.527 -0.000 0.000 0.296 471 F C 1.779 177.673 175.800 0.156 0.000 1.122 471 F CA 1.746 59.805 58.000 0.098 0.000 1.201 471 F CB -0.557 38.472 39.000 0.049 0.000 0.978 471 F HN -0.201 nan 8.300 nan 0.000 0.472 472 D N -0.548 120.115 120.400 0.439 0.000 2.149 472 D HA -0.184 4.455 4.640 -0.001 0.000 0.198 472 D C 2.290 178.578 176.300 -0.021 0.000 0.990 472 D CA 1.734 55.865 54.000 0.219 0.000 0.839 472 D CB -0.770 40.124 40.800 0.157 0.000 0.948 472 D HN 0.304 nan 8.370 nan 0.000 0.460 473 T N -0.293 114.283 114.554 0.037 0.000 2.746 473 T HA -0.165 4.185 4.350 -0.001 0.000 0.267 473 T C 1.656 176.367 174.700 0.018 0.000 1.039 473 T CA 1.146 63.216 62.100 -0.051 0.000 1.142 473 T CB -0.357 68.574 68.868 0.105 0.000 0.866 473 T HN 0.338 nan 8.240 nan 0.000 0.444 474 W N 1.882 123.152 121.300 -0.051 0.000 2.335 474 W HA -0.213 4.447 4.660 -0.001 0.000 0.311 474 W C 2.284 178.787 176.519 -0.026 0.000 1.213 474 W CA 2.391 59.718 57.345 -0.030 0.000 1.274 474 W CB -0.878 28.512 29.460 -0.117 0.000 1.148 474 W HN 0.456 nan 8.180 nan 0.000 0.498 475 T N -0.471 114.152 114.554 0.115 0.000 2.904 475 T HA -0.229 4.120 4.350 -0.001 0.000 0.267 475 T C 1.926 176.701 174.700 0.124 0.000 1.059 475 T CA 1.264 63.451 62.100 0.145 0.000 1.137 475 T CB -0.909 68.103 68.868 0.242 0.000 0.879 475 T HN 0.120 nan 8.240 nan 0.000 0.467 476 L N 2.272 123.452 121.223 -0.072 0.000 2.042 476 L HA 0.213 4.552 4.340 -0.001 0.000 0.210 476 L C 2.647 179.468 176.870 -0.081 0.000 1.076 476 L CA 2.173 56.907 54.840 -0.178 0.000 0.749 476 L CB -1.258 40.407 42.059 -0.656 0.000 0.893 476 L HN 0.347 nan 8.230 nan 0.000 0.432 477 G N -0.277 108.451 108.800 -0.120 0.000 2.440 477 G HA2 -0.235 3.725 3.960 -0.001 0.000 0.218 477 G HA3 -0.235 3.725 3.960 -0.001 0.000 0.218 477 G C 1.586 176.510 174.900 0.041 0.000 1.154 477 G CA 1.139 46.273 45.100 0.056 0.000 0.767 477 G HN 0.452 nan 8.290 nan 0.000 0.552 478 L N 0.509 121.697 121.223 -0.057 0.000 2.093 478 L HA -0.039 4.300 4.340 -0.001 0.000 0.208 478 L C 3.411 180.438 176.870 0.262 0.000 1.085 478 L CA 0.964 55.822 54.840 0.031 0.000 0.755 478 L CB -0.482 41.556 42.059 -0.034 0.000 0.904 478 L HN 0.321 nan 8.230 nan 0.000 0.435 479 A N 0.517 123.503 122.820 0.278 0.000 1.902 479 A HA -0.172 4.147 4.320 -0.001 0.000 0.217 479 A C 2.203 180.003 177.584 0.360 0.000 1.181 479 A CA 1.433 53.661 52.037 0.319 0.000 0.623 479 A CB -0.607 18.576 19.000 0.305 0.000 0.818 479 A HN 0.336 nan 8.150 nan 0.000 0.443 480 I N -2.147 118.626 120.570 0.339 0.000 2.226 480 I HA -0.279 3.890 4.170 -0.001 0.000 0.245 480 I C 2.455 178.859 176.117 0.477 0.000 1.100 480 I CA 1.796 63.334 61.300 0.396 0.000 1.374 480 I CB -0.448 37.792 38.000 0.400 0.000 1.057 480 I HN 0.517 nan 8.210 nan 0.000 0.413 481 Y N 0.855 121.315 120.300 0.267 0.000 2.165 481 Y HA -0.330 4.220 4.550 -0.001 0.000 0.286 481 Y C 2.476 178.520 175.900 0.239 0.000 1.155 481 Y CA 1.802 60.029 58.100 0.210 0.000 1.164 481 Y CB -0.348 38.151 38.460 0.066 0.000 0.978 481 Y HN 0.274 nan 8.280 nan 0.000 0.513 482 W N 1.034 122.484 121.300 0.251 0.000 2.335 482 W HA -0.305 4.354 4.660 -0.000 0.000 0.311 482 W C 2.054 178.579 176.519 0.010 0.000 1.213 482 W CA 2.409 59.827 57.345 0.123 0.000 1.274 482 W CB -0.761 28.780 29.460 0.136 0.000 1.148 482 W HN 0.206 nan 8.180 nan 0.000 0.498 483 I N -0.396 120.307 120.570 0.222 0.000 2.143 483 I HA -0.357 3.813 4.170 -0.001 0.000 0.245 483 I C 1.997 177.909 176.117 -0.342 0.000 1.068 483 I CA 2.336 63.587 61.300 -0.081 0.000 1.326 483 I CB -0.878 37.022 38.000 -0.166 0.000 1.028 483 I HN -0.005 nan 8.210 nan 0.000 0.412 484 W N -1.325 119.880 121.300 -0.157 0.000 3.077 484 W HA 0.063 4.723 4.660 -0.001 0.000 0.266 484 W C 1.924 178.234 176.519 -0.349 0.000 1.300 484 W CA 0.044 57.245 57.345 -0.239 0.000 1.586 484 W CB 0.002 29.323 29.460 -0.231 0.000 1.103 484 W HN 0.174 nan 8.180 nan 0.000 0.652 485 c N -1.936 116.488 118.600 -0.293 0.000 4.111 485 c HA 0.611 5.181 4.570 -0.001 0.000 0.443 485 c C 1.559 175.340 174.090 -0.515 0.000 1.586 485 c CA -0.157 55.925 56.329 -0.411 0.000 2.085 485 c CB -0.326 41.778 42.510 -0.677 0.000 3.126 485 c HN 0.225 nan 8.230 nan 0.000 0.684 486 A N 1.425 123.727 122.820 -0.863 0.000 2.822 486 A HA -0.109 4.210 4.320 -0.001 0.000 0.287 486 A C -0.187 176.578 177.584 -1.364 0.000 1.479 486 A CA 1.754 52.846 52.037 -1.576 0.000 0.779 486 A CB -1.632 16.839 19.000 -0.883 0.000 1.022 486 A HN 0.673 nan 8.150 nan 0.000 0.532 487 D N -2.076 117.891 120.400 -0.721 0.000 2.713 487 D HA 0.636 5.275 4.640 -0.001 0.000 0.306 487 D C -0.549 175.993 176.300 0.403 0.000 1.299 487 D CA -0.392 53.583 54.000 -0.041 0.000 0.823 487 D CB 0.724 41.537 40.800 0.023 0.000 1.353 487 D HN 0.303 nan 8.370 nan 0.000 0.447 488 L N 1.898 123.294 121.223 0.289 0.000 2.357 488 L HA 0.500 4.840 4.340 -0.001 0.000 0.273 488 L C -1.744 175.082 176.870 -0.072 0.000 1.080 488 L CA -1.409 53.471 54.840 0.066 0.000 0.803 488 L CB 1.629 43.641 42.059 -0.079 0.000 1.174 488 L HN 0.317 nan 8.230 nan 0.000 0.443 489 P HA 0.045 nan 4.420 nan 0.000 0.279 489 P C -1.036 176.238 177.300 -0.042 0.000 1.282 489 P CA -0.571 62.262 63.100 -0.446 0.000 0.788 489 P CB 0.496 31.640 31.700 -0.927 0.000 1.139 490 N N 0.493 119.258 118.700 0.109 0.000 2.971 490 N HA 0.003 4.743 4.740 -0.001 0.000 0.294 490 N C 1.078 176.743 175.510 0.258 0.000 1.210 490 N CA 0.328 53.486 53.050 0.181 0.000 1.157 490 N CB -0.261 38.333 38.487 0.179 0.000 1.450 490 N HN 0.481 nan 8.380 nan 0.000 0.527 491 T N -1.973 112.675 114.554 0.157 0.000 3.007 491 T HA -0.153 4.196 4.350 -0.001 0.000 0.270 491 T C 1.633 176.270 174.700 -0.104 0.000 1.107 491 T CA 0.659 62.781 62.100 0.038 0.000 1.118 491 T CB 0.092 69.063 68.868 0.172 0.000 0.889 491 T HN 0.429 nan 8.240 nan 0.000 0.506 492 E N 2.031 122.206 120.200 -0.041 0.000 2.204 492 E HA -0.161 4.188 4.350 -0.001 0.000 0.194 492 E C 0.689 177.220 176.600 -0.116 0.000 0.989 492 E CA 1.329 57.695 56.400 -0.058 0.000 0.824 492 E CB -0.553 29.140 29.700 -0.012 0.000 0.756 492 E HN 0.465 nan 8.360 nan 0.000 0.477 493 D N 0.856 121.179 120.400 -0.128 0.000 2.339 493 D HA 0.238 4.878 4.640 -0.001 0.000 0.217 493 D C 1.537 177.549 176.300 -0.480 0.000 1.050 493 D CA 0.773 54.680 54.000 -0.155 0.000 0.856 493 D CB 0.352 41.177 40.800 0.041 0.000 0.922 493 D HN 0.315 nan 8.370 nan 0.000 0.518 494 A N 1.435 123.696 122.820 -0.932 0.000 1.917 494 A HA -0.267 4.053 4.320 -0.001 0.000 0.219 494 A C 1.988 179.152 177.584 -0.701 0.000 1.182 494 A CA 1.700 52.883 52.037 -1.425 0.000 0.633 494 A CB -0.617 17.802 19.000 -0.968 0.000 0.819 494 A HN 0.458 nan 8.150 nan 0.000 0.448 495 E N 0.116 120.009 120.200 -0.513 0.000 2.401 495 E HA -0.097 4.253 4.350 -0.001 0.000 0.199 495 E C 1.534 177.855 176.600 -0.464 0.000 1.023 495 E CA 0.880 56.876 56.400 -0.673 0.000 0.859 495 E CB -0.452 29.065 29.700 -0.304 0.000 0.780 495 E HN 0.638 nan 8.360 nan 0.000 0.523 496 L N 0.735 121.772 121.223 -0.309 0.000 2.376 496 L HA 0.100 4.440 4.340 -0.001 0.000 0.219 496 L C 1.150 177.946 176.870 -0.124 0.000 1.133 496 L CA 0.571 55.313 54.840 -0.165 0.000 0.816 496 L CB -0.716 41.299 42.059 -0.072 0.000 0.933 496 L HN 0.397 nan 8.230 nan 0.000 0.449 497 G N -0.861 107.845 108.800 -0.157 0.000 2.730 497 G HA2 0.215 4.175 3.960 -0.001 0.000 0.686 497 G HA3 0.215 4.175 3.960 -0.001 0.000 0.686 497 G C 0.147 175.119 174.900 0.119 0.000 1.343 497 G CA -0.502 44.574 45.100 -0.040 0.000 0.826 497 G HN 0.700 nan 8.290 nan 0.000 0.582 498 G N -0.986 107.908 108.800 0.157 0.000 2.642 498 G HA2 0.214 4.173 3.960 -0.001 0.000 0.231 498 G HA3 0.214 4.173 3.960 -0.001 0.000 0.231 498 G C 0.897 175.960 174.900 0.272 0.000 1.338 498 G CA 1.080 46.289 45.100 0.182 0.000 0.883 498 G HN 2.485 nan 8.290 nan 0.000 0.570 499 I N -2.707 117.944 120.570 0.135 0.000 4.338 499 I HA 0.470 4.639 4.170 -0.001 0.000 0.329 499 I C 1.666 177.677 176.117 -0.177 0.000 1.378 499 I CA 1.133 62.383 61.300 -0.083 0.000 1.170 499 I CB 0.770 38.785 38.000 0.026 0.000 1.206 499 I HN 0.609 nan 8.210 nan 0.000 0.432 500 E N 2.797 123.015 120.200 0.031 0.000 2.150 500 E HA -0.225 4.125 4.350 -0.001 0.000 0.193 500 E C 1.894 178.499 176.600 0.009 0.000 0.985 500 E CA 1.744 58.183 56.400 0.065 0.000 0.814 500 E CB -0.759 29.004 29.700 0.105 0.000 0.752 500 E HN 0.752 nan 8.360 nan 0.000 0.466 501 W N 1.347 122.624 121.300 -0.039 0.000 2.392 501 W HA -0.068 4.592 4.660 -0.001 0.000 0.279 501 W C 1.413 177.832 176.519 -0.167 0.000 1.225 501 W CA 0.618 57.920 57.345 -0.072 0.000 1.233 501 W CB -0.742 28.686 29.460 -0.053 0.000 1.122 501 W HN 0.067 nan 8.180 nan 0.000 0.561 502 I N 0.041 119.934 120.570 -1.127 0.000 2.286 502 I HA -0.245 3.925 4.170 -0.001 0.000 0.245 502 I C 1.797 177.462 176.117 -0.752 0.000 1.104 502 I CA 1.570 62.042 61.300 -1.381 0.000 1.397 502 I CB -0.670 36.192 38.000 -1.898 0.000 1.072 502 I HN -0.163 nan 8.210 nan 0.000 0.417 503 Y N -0.277 119.927 120.300 -0.161 0.000 2.458 503 Y HA 0.219 4.768 4.550 -0.001 0.000 0.256 503 Y C 2.331 178.232 175.900 0.002 0.000 1.159 503 Y CA -0.384 57.693 58.100 -0.039 0.000 1.261 503 Y CB -0.070 38.342 38.460 -0.081 0.000 1.119 503 Y HN -0.074 nan 8.280 nan 0.000 0.524 504 R N 0.797 121.352 120.500 0.092 0.000 2.103 504 R HA -0.171 4.168 4.340 -0.001 0.000 0.242 504 R C 1.466 177.822 176.300 0.093 0.000 1.142 504 R CA 1.622 57.776 56.100 0.090 0.000 0.960 504 R CB -0.114 30.235 30.300 0.081 0.000 0.858 504 R HN 0.398 nan 8.270 nan 0.000 0.439 505 R N -1.859 118.713 120.500 0.120 0.000 2.334 505 R HA 0.137 4.476 4.340 -0.001 0.000 0.212 505 R C 0.093 176.452 176.300 0.099 0.000 0.897 505 R CA -0.052 56.117 56.100 0.115 0.000 1.056 505 R CB 0.701 31.089 30.300 0.145 0.000 1.046 505 R HN 0.021 nan 8.270 nan 0.000 0.513 506 c N 0.373 119.048 118.600 0.125 0.000 2.727 506 c HA 0.342 4.912 4.570 -0.001 0.000 0.369 506 c C -0.106 174.030 174.090 0.076 0.000 1.067 506 c CA -0.708 55.639 56.329 0.030 0.000 1.273 506 c CB 0.899 43.314 42.510 -0.159 0.000 1.778 506 c HN 0.343 nan 8.230 nan 0.000 0.467 507 K N 2.453 122.852 120.400 -0.001 0.000 2.447 507 K HA 0.185 4.504 4.320 -0.001 0.000 0.205 507 K C 0.972 177.508 176.600 -0.108 0.000 1.059 507 K CA 0.147 56.409 56.287 -0.042 0.000 1.065 507 K CB 0.265 32.747 32.500 -0.029 0.000 0.885 507 K HN 0.754 nan 8.250 nan 0.000 0.545 508 N N 0.152 118.789 118.700 -0.105 0.000 2.205 508 N HA 0.089 4.828 4.740 -0.001 0.000 0.201 508 N C 0.098 175.495 175.510 -0.188 0.000 1.128 508 N CA -0.216 52.763 53.050 -0.118 0.000 0.867 508 N CB 0.037 38.484 38.487 -0.067 0.000 0.996 508 N HN 0.025 nan 8.380 nan 0.000 0.503 509 I N 2.449 122.863 120.570 -0.259 0.000 2.683 509 I HA 0.070 4.240 4.170 -0.001 0.000 0.286 509 I C -1.807 174.011 176.117 -0.498 0.000 1.175 509 I CA -1.450 59.561 61.300 -0.481 0.000 1.429 509 I CB 0.329 38.078 38.000 -0.418 0.000 1.371 509 I HN -0.056 nan 8.210 nan 0.000 0.569 510 P HA -0.025 nan 4.420 nan 0.000 0.272 510 P C 0.154 177.260 177.300 -0.323 0.000 1.223 510 P CA -0.327 62.543 63.100 -0.382 0.000 0.784 510 P CB 0.762 32.278 31.700 -0.306 0.000 0.923 511 Q N 2.316 121.988 119.800 -0.213 0.000 2.077 511 Q HA -0.161 4.179 4.340 -0.001 0.000 0.206 511 Q C -0.876 175.034 176.000 -0.149 0.000 0.989 511 Q CA 2.643 58.340 55.803 -0.176 0.000 0.853 511 Q CB -1.695 26.969 28.738 -0.124 0.000 0.907 511 Q HN 0.379 nan 8.270 nan 0.000 0.418 512 P HA -0.070 nan 4.420 nan 0.000 0.217 512 P C 1.665 178.902 177.300 -0.105 0.000 1.151 512 P CA 0.937 63.984 63.100 -0.089 0.000 0.828 512 P CB -0.155 31.513 31.700 -0.054 0.000 0.788 513 V N 0.759 120.569 119.914 -0.174 0.000 2.358 513 V HA -0.192 3.927 4.120 -0.001 0.000 0.246 513 V C 2.791 178.786 176.094 -0.165 0.000 1.047 513 V CA 1.650 63.833 62.300 -0.195 0.000 1.035 513 V CB -1.058 30.478 31.823 -0.479 0.000 0.658 513 V HN 0.058 nan 8.190 nan 0.000 0.452 514 R N 0.248 120.637 120.500 -0.185 0.000 2.083 514 R HA -0.175 4.165 4.340 -0.001 0.000 0.237 514 R C 2.469 178.734 176.300 -0.058 0.000 1.137 514 R CA 1.627 57.680 56.100 -0.078 0.000 0.951 514 R CB -0.683 29.521 30.300 -0.161 0.000 0.851 514 R HN 0.537 nan 8.270 nan 0.000 0.434 515 A N 1.182 123.945 122.820 -0.095 0.000 1.902 515 A HA -0.137 4.183 4.320 -0.001 0.000 0.217 515 A C 2.210 179.696 177.584 -0.164 0.000 1.181 515 A CA 1.212 53.191 52.037 -0.097 0.000 0.623 515 A CB -0.497 18.454 19.000 -0.082 0.000 0.818 515 A HN 0.179 nan 8.150 nan 0.000 0.443 516 L N -1.383 119.715 121.223 -0.209 0.000 2.072 516 L HA -0.128 4.212 4.340 -0.001 0.000 0.205 516 L C 2.504 178.983 176.870 -0.652 0.000 1.079 516 L CA 0.730 55.300 54.840 -0.450 0.000 0.752 516 L CB -0.487 41.415 42.059 -0.263 0.000 0.906 516 L HN 0.355 nan 8.230 nan 0.000 0.436 517 L N 0.247 121.335 121.223 -0.224 0.000 2.012 517 L HA -0.251 4.088 4.340 -0.001 0.000 0.210 517 L C 2.432 179.243 176.870 -0.099 0.000 1.073 517 L CA 1.863 56.679 54.840 -0.039 0.000 0.748 517 L CB -0.545 41.523 42.059 0.016 0.000 0.891 517 L HN 0.231 nan 8.230 nan 0.000 0.431 518 E N -1.337 118.795 120.200 -0.112 0.000 2.110 518 E HA -0.156 4.194 4.350 -0.001 0.000 0.193 518 E C 2.090 178.669 176.600 -0.034 0.000 0.988 518 E CA 0.936 57.295 56.400 -0.068 0.000 0.804 518 E CB -0.480 29.204 29.700 -0.026 0.000 0.745 518 E HN 0.637 nan 8.360 nan 0.000 0.458 519 G N 0.556 109.276 108.800 -0.134 0.000 2.418 519 G HA2 -0.234 3.725 3.960 -0.001 0.000 0.217 519 G HA3 -0.234 3.725 3.960 -0.001 0.000 0.217 519 G C 1.129 176.043 174.900 0.022 0.000 1.158 519 G CA 0.512 45.545 45.100 -0.112 0.000 0.771 519 G HN 0.129 nan 8.290 nan 0.000 0.545 520 F N 0.463 120.442 119.950 0.049 0.000 2.234 520 F HA 0.205 4.732 4.527 -0.001 0.000 0.299 520 F C 2.034 177.876 175.800 0.070 0.000 1.087 520 F CA 0.282 58.310 58.000 0.047 0.000 1.340 520 F CB -0.310 38.689 39.000 -0.002 0.000 1.031 520 F HN 0.015 nan 8.300 nan 0.000 0.500 521 L N 0.156 121.490 121.223 0.186 0.000 2.928 521 L HA 0.209 4.548 4.340 -0.001 0.000 0.246 521 L C 0.327 177.476 176.870 0.465 0.000 1.239 521 L CA -0.402 54.513 54.840 0.124 0.000 1.035 521 L CB -0.245 41.704 42.059 -0.184 0.000 1.360 521 L HN -0.222 nan 8.230 nan 0.000 0.529 522 R N -0.306 120.433 120.500 0.398 0.000 2.640 522 R HA -0.103 4.236 4.340 -0.001 0.000 0.270 522 R C 0.811 177.395 176.300 0.472 0.000 1.024 522 R CA 0.146 56.475 56.100 0.382 0.000 1.085 522 R CB 0.309 30.761 30.300 0.253 0.000 0.963 522 R HN 0.105 nan 8.270 nan 0.000 0.426 523 Y N 1.619 122.080 120.300 0.269 0.000 2.163 523 Y HA -0.089 4.461 4.550 -0.001 0.000 0.288 523 Y C 0.442 176.358 175.900 0.027 0.000 1.136 523 Y CA 1.377 59.559 58.100 0.136 0.000 1.147 523 Y CB 0.410 38.902 38.460 0.053 0.000 0.987 523 Y HN 0.431 nan 8.280 nan 0.000 0.509 524 S N 2.087 117.838 115.700 0.084 0.000 2.499 524 S HA 0.084 4.554 4.470 -0.001 0.000 0.275 524 S C 1.105 175.707 174.600 0.004 0.000 1.257 524 S CA -0.319 57.871 58.200 -0.018 0.000 1.050 524 S CB 1.159 64.409 63.200 0.083 0.000 0.937 524 S HN 0.488 nan 8.310 nan 0.000 0.490 525 K N 3.200 123.569 120.400 -0.051 0.000 2.103 525 K HA -0.171 4.149 4.320 -0.001 0.000 0.207 525 K C 1.489 178.131 176.600 0.070 0.000 1.048 525 K CA 1.523 57.816 56.287 0.009 0.000 0.930 525 K CB -0.146 32.340 32.500 -0.022 0.000 0.716 525 K HN 0.651 nan 8.250 nan 0.000 0.444 526 E N 1.269 121.504 120.200 0.058 0.000 2.347 526 E HA -0.174 4.175 4.350 -0.001 0.000 0.196 526 E C 0.533 177.185 176.600 0.087 0.000 1.008 526 E CA 1.055 57.499 56.400 0.073 0.000 0.852 526 E CB -0.061 29.672 29.700 0.055 0.000 0.783 526 E HN 0.401 nan 8.360 nan 0.000 0.505 527 D N 0.973 121.431 120.400 0.096 0.000 2.348 527 D HA 0.048 4.688 4.640 -0.001 0.000 0.211 527 D C 0.239 176.614 176.300 0.125 0.000 0.998 527 D CA 0.100 54.163 54.000 0.105 0.000 0.873 527 D CB 0.057 40.925 40.800 0.113 0.000 0.925 527 D HN 0.136 nan 8.370 nan 0.000 0.524 528 R N 0.906 121.498 120.500 0.153 0.000 2.489 528 R HA 0.141 4.481 4.340 -0.001 0.000 0.287 528 R C 0.048 176.455 176.300 0.178 0.000 1.053 528 R CA -0.643 55.574 56.100 0.195 0.000 1.036 528 R CB 0.686 31.134 30.300 0.246 0.000 0.966 528 R HN -0.016 nan 8.270 nan 0.000 0.432 529 L N 4.965 126.293 121.223 0.175 0.000 2.500 529 L HA 0.067 4.406 4.340 -0.001 0.000 0.272 529 L C -0.573 176.471 176.870 0.290 0.000 1.149 529 L CA 0.712 55.647 54.840 0.159 0.000 0.897 529 L CB 0.157 42.228 42.059 0.019 0.000 1.178 529 L HN 0.444 nan 8.230 nan 0.000 0.473 530 L N 7.538 128.873 121.223 0.187 0.000 2.439 530 L HA 0.316 4.655 4.340 -0.001 0.000 0.261 530 L C -1.250 175.705 176.870 0.142 0.000 1.153 530 L CA -1.625 53.300 54.840 0.142 0.000 0.808 530 L CB 0.358 42.445 42.059 0.046 0.000 1.126 530 L HN 0.491 nan 8.230 nan 0.000 0.460 531 P HA -0.093 nan 4.420 nan 0.000 0.217 531 P C 1.675 178.961 177.300 -0.024 0.000 1.150 531 P CA 1.141 64.257 63.100 0.026 0.000 0.832 531 P CB 0.276 31.922 31.700 -0.090 0.000 0.787 532 L N -0.951 120.235 121.223 -0.061 0.000 2.093 532 L HA -0.168 4.171 4.340 -0.001 0.000 0.208 532 L C 2.631 179.456 176.870 -0.075 0.000 1.085 532 L CA 1.422 56.213 54.840 -0.082 0.000 0.755 532 L CB -0.838 41.174 42.059 -0.079 0.000 0.904 532 L HN 0.001 nan 8.230 nan 0.000 0.435 533 Q N -0.197 119.580 119.800 -0.037 0.000 2.050 533 Q HA -0.211 4.128 4.340 -0.001 0.000 0.202 533 Q C 2.460 178.443 176.000 -0.029 0.000 0.980 533 Q CA 1.642 57.433 55.803 -0.019 0.000 0.840 533 Q CB -0.353 28.394 28.738 0.015 0.000 0.898 533 Q HN 0.553 nan 8.270 nan 0.000 0.424 534 A N 1.040 123.865 122.820 0.007 0.000 1.948 534 A HA -0.208 4.112 4.320 -0.001 0.000 0.220 534 A C 2.051 179.533 177.584 -0.170 0.000 1.177 534 A CA 1.605 53.645 52.037 0.005 0.000 0.636 534 A CB -0.573 18.569 19.000 0.236 0.000 0.815 534 A HN 0.327 nan 8.150 nan 0.000 0.449 535 M N -0.895 118.471 119.600 -0.390 0.000 2.374 535 M HA -0.111 4.369 4.480 -0.001 0.000 0.264 535 M C 1.383 177.496 176.300 -0.312 0.000 1.067 535 M CA 1.147 55.962 55.300 -0.808 0.000 1.103 535 M CB -0.254 31.965 32.600 -0.636 0.000 1.402 535 M HN 0.461 nan 8.290 nan 0.000 0.444 536 E N -0.014 120.102 120.200 -0.140 0.000 2.489 536 E HA -0.007 4.342 4.350 -0.001 0.000 0.193 536 E C 0.712 177.314 176.600 0.004 0.000 1.057 536 E CA 0.210 56.584 56.400 -0.043 0.000 0.866 536 E CB 0.173 29.852 29.700 -0.036 0.000 0.916 536 E HN 0.458 nan 8.360 nan 0.000 0.500 537 T N -1.600 112.967 114.554 0.022 0.000 2.899 537 T HA 0.110 4.459 4.350 -0.001 0.000 0.284 537 T C 1.464 176.215 174.700 0.086 0.000 1.004 537 T CA -0.225 61.903 62.100 0.046 0.000 1.043 537 T CB 1.741 70.630 68.868 0.035 0.000 1.013 537 T HN -0.023 nan 8.240 nan 0.000 0.518 538 S N 0.527 116.259 115.700 0.054 0.000 2.406 538 S HA -0.087 4.383 4.470 -0.001 0.000 0.228 538 S C 1.609 176.240 174.600 0.051 0.000 1.020 538 S CA 0.615 58.844 58.200 0.049 0.000 0.965 538 S CB -0.606 62.608 63.200 0.022 0.000 0.798 538 S HN 0.787 nan 8.310 nan 0.000 0.488 539 E N 0.835 121.063 120.200 0.047 0.000 2.085 539 E HA -0.102 4.248 4.350 -0.001 0.000 0.194 539 E C 1.705 178.347 176.600 0.071 0.000 0.994 539 E CA 1.434 57.855 56.400 0.034 0.000 0.801 539 E CB -0.531 29.174 29.700 0.009 0.000 0.743 539 E HN 0.765 nan 8.360 nan 0.000 0.453 540 Y N 0.994 121.298 120.300 0.006 0.000 2.200 540 Y HA -0.193 4.357 4.550 -0.001 0.000 0.290 540 Y C 2.270 178.187 175.900 0.028 0.000 1.137 540 Y CA 1.782 59.901 58.100 0.032 0.000 1.163 540 Y CB 0.082 38.568 38.460 0.043 0.000 0.988 540 Y HN 0.001 nan 8.280 nan 0.000 0.518 541 E N 0.488 120.781 120.200 0.156 0.000 2.077 541 E HA -0.283 4.066 4.350 -0.001 0.000 0.193 541 E C 2.244 178.834 176.600 -0.017 0.000 0.989 541 E CA 1.932 58.373 56.400 0.068 0.000 0.800 541 E CB -0.426 29.322 29.700 0.080 0.000 0.746 541 E HN 0.648 nan 8.360 nan 0.000 0.452 542 Q N -0.271 119.520 119.800 -0.015 0.000 2.084 542 Q HA -0.128 4.211 4.340 -0.001 0.000 0.202 542 Q C 2.278 178.246 176.000 -0.054 0.000 0.978 542 Q CA 1.527 57.313 55.803 -0.028 0.000 0.844 542 Q CB -0.117 28.610 28.738 -0.017 0.000 0.898 542 Q HN 0.395 nan 8.270 nan 0.000 0.426 543 L N 0.095 121.266 121.223 -0.087 0.000 2.012 543 L HA -0.220 4.119 4.340 -0.001 0.000 0.210 543 L C 2.833 179.619 176.870 -0.141 0.000 1.073 543 L CA 1.470 56.251 54.840 -0.099 0.000 0.748 543 L CB -0.605 41.370 42.059 -0.141 0.000 0.891 543 L HN 0.278 nan 8.230 nan 0.000 0.431 544 R N -0.249 120.117 120.500 -0.223 0.000 2.081 544 R HA -0.143 4.196 4.340 -0.001 0.000 0.235 544 R C 2.257 178.499 176.300 -0.096 0.000 1.131 544 R CA 1.995 57.987 56.100 -0.180 0.000 0.960 544 R CB -0.241 29.950 30.300 -0.182 0.000 0.856 544 R HN 0.279 nan 8.270 nan 0.000 0.436 545 T N 0.859 115.370 114.554 -0.071 0.000 2.708 545 T HA -0.141 4.208 4.350 -0.001 0.000 0.266 545 T C 1.494 176.159 174.700 -0.058 0.000 1.037 545 T CA 1.616 63.686 62.100 -0.050 0.000 1.146 545 T CB -0.150 68.698 68.868 -0.034 0.000 0.865 545 T HN 0.419 nan 8.240 nan 0.000 0.435 546 E N 0.520 120.685 120.200 -0.060 0.000 2.049 546 E HA -0.118 4.231 4.350 -0.001 0.000 0.198 546 E C 2.223 178.761 176.600 -0.102 0.000 1.007 546 E CA 0.904 57.264 56.400 -0.068 0.000 0.809 546 E CB -0.241 29.435 29.700 -0.040 0.000 0.749 546 E HN 0.222 nan 8.360 nan 0.000 0.450 547 L N 0.661 121.825 121.223 -0.098 0.000 2.027 547 L HA -0.172 4.168 4.340 -0.001 0.000 0.206 547 L C 2.533 179.334 176.870 -0.115 0.000 1.074 547 L CA 1.622 56.387 54.840 -0.124 0.000 0.745 547 L CB -0.760 41.237 42.059 -0.104 0.000 0.898 547 L HN 0.158 nan 8.230 nan 0.000 0.433 548 S N -0.294 115.355 115.700 -0.086 0.000 2.374 548 S HA -0.221 4.248 4.470 -0.001 0.000 0.227 548 S C 2.063 176.629 174.600 -0.057 0.000 1.037 548 S CA 1.549 59.711 58.200 -0.064 0.000 1.024 548 S CB -0.175 62.995 63.200 -0.048 0.000 0.861 548 S HN 0.597 nan 8.310 nan 0.000 0.456 549 A N 0.559 123.340 122.820 -0.065 0.000 2.015 549 A HA 0.010 4.330 4.320 -0.001 0.000 0.219 549 A C 2.194 179.739 177.584 -0.064 0.000 1.163 549 A CA 1.602 53.605 52.037 -0.058 0.000 0.646 549 A CB -0.695 18.271 19.000 -0.057 0.000 0.806 549 A HN 0.964 nan 8.150 nan 0.000 0.448 550 V N -3.156 116.698 119.914 -0.100 0.000 3.608 550 V HA 0.146 4.265 4.120 -0.001 0.000 0.269 550 V C 1.880 178.022 176.094 0.081 0.000 1.245 550 V CA 0.664 62.913 62.300 -0.084 0.000 1.138 550 V CB -0.673 30.951 31.823 -0.332 0.000 0.841 550 V HN 0.400 nan 8.190 nan 0.000 0.451 551 L N 0.208 121.460 121.223 0.049 0.000 2.079 551 L HA -0.030 4.309 4.340 -0.001 0.000 0.210 551 L C 0.038 176.990 176.870 0.136 0.000 1.081 551 L CA 1.726 56.636 54.840 0.116 0.000 0.752 551 L CB -1.614 40.452 42.059 0.011 0.000 0.896 551 L HN 0.377 nan 8.230 nan 0.000 0.433 552 P HA -0.155 nan 4.420 nan 0.000 0.222 552 P C 1.645 178.940 177.300 -0.009 0.000 1.147 552 P CA 1.169 64.281 63.100 0.020 0.000 0.790 552 P CB 0.048 31.745 31.700 -0.004 0.000 0.780 553 L N -3.253 117.944 121.223 -0.043 0.000 2.465 553 L HA -0.080 4.259 4.340 -0.001 0.000 0.224 553 L C 1.068 177.688 176.870 -0.417 0.000 1.145 553 L CA 1.055 55.754 54.840 -0.236 0.000 0.834 553 L CB -0.619 41.234 42.059 -0.345 0.000 0.944 553 L HN 0.053 nan 8.230 nan 0.000 0.451 554 Y N -1.575 118.712 120.300 -0.020 0.000 2.660 554 Y HA 0.199 4.748 4.550 -0.001 0.000 0.254 554 Y C 1.267 177.155 175.900 -0.020 0.000 1.176 554 Y CA -0.617 57.472 58.100 -0.020 0.000 1.195 554 Y CB 0.286 38.727 38.460 -0.031 0.000 1.190 554 Y HN 0.107 nan 8.280 nan 0.000 0.535 555 Q N -0.246 119.594 119.800 0.067 0.000 2.386 555 Q HA 0.492 4.831 4.340 -0.001 0.000 0.172 555 Q C 0.572 176.586 176.000 0.023 0.000 1.009 555 Q CA 0.133 55.963 55.803 0.044 0.000 1.039 555 Q CB 0.126 28.880 28.738 0.027 0.000 1.544 555 Q HN 0.308 nan 8.270 nan 0.000 0.515 556 T N 0.000 114.564 114.554 0.017 0.000 3.816 556 T HA 0.000 4.350 4.350 -0.001 0.000 0.228 556 T CA 0.000 62.107 62.100 0.011 0.000 1.349 556 T CB 0.000 68.868 68.868 0.001 0.000 0.612 556 T HN 0.000 nan 8.240 nan 0.000 0.658