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 2znr_1_A DATA FIRST_RESID 259 DATA SEQUENCE GPGHMEGLRC VVLPEDLCHK FLQLAESNTV RGIETCGILC GKLTHNEFTI DATA SEQUENCE THVIVPKQSA GPDYCDMENV EELFNVQDQH DLLTLGWIHT HPTQTAFLSS DATA SEQUENCE VDLHTHCSYQ LMLPEAIAIV CSPKHKDTGI FRLTNAGMLE VSACKKKGFH DATA SEQUENCE PHTKEPRLFS ICKHVLVKDI KIIVLDLR 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 259 G HA2 0.000 nan 3.960 nan 0.000 0.244 259 G HA3 0.000 3.961 3.960 0.002 0.000 0.244 259 G C 0.000 174.926 174.900 0.043 0.000 0.946 259 G CA 0.000 45.102 45.100 0.003 0.000 0.502 260 P HA 0.391 nan 4.420 nan 0.000 0.269 260 P C 0.831 178.170 177.300 0.066 0.000 1.209 260 P CA 1.364 64.492 63.100 0.046 0.000 0.776 260 P CB 0.639 32.356 31.700 0.029 0.000 0.876 261 G N 0.481 109.319 108.800 0.063 0.000 2.249 261 G HA2 -0.248 3.713 3.960 0.002 0.000 0.273 261 G HA3 -0.248 3.713 3.960 0.002 0.000 0.273 261 G C 0.306 175.248 174.900 0.070 0.000 1.036 261 G CA 0.169 45.300 45.100 0.051 0.000 0.824 261 G HN 1.011 nan 8.290 nan 0.000 0.504 262 H N 0.313 119.388 119.070 0.008 0.000 2.819 262 H HA 0.403 4.960 4.556 0.002 0.000 0.303 262 H C 0.164 175.499 175.328 0.011 0.000 1.058 262 H CA -0.276 55.778 56.048 0.009 0.000 1.471 262 H CB 0.370 30.137 29.762 0.009 0.000 1.480 262 H HN 0.087 nan 8.280 nan 0.000 0.517 263 M N 4.878 124.157 119.600 -0.535 0.000 2.055 263 M HA 0.055 4.536 4.480 0.002 0.000 0.347 263 M C -0.058 175.909 176.300 -0.554 0.000 1.123 263 M CA -0.663 54.408 55.300 -0.382 0.000 1.035 263 M CB 0.623 33.107 32.600 -0.193 0.000 1.484 263 M HN 0.606 nan 8.290 nan 0.000 0.428 264 E N 2.447 122.453 120.200 -0.323 0.000 1.963 264 E HA 0.602 4.953 4.350 0.002 0.000 0.274 264 E C -0.240 176.329 176.600 -0.052 0.000 1.061 264 E CA 0.086 56.414 56.400 -0.121 0.000 0.847 264 E CB 0.284 30.039 29.700 0.091 0.000 1.083 264 E HN 0.861 nan 8.360 nan 0.000 0.402 265 G N 2.616 111.386 108.800 -0.051 0.000 2.338 265 G HA2 0.189 4.150 3.960 0.002 0.000 0.295 265 G HA3 0.189 4.150 3.960 0.002 0.000 0.295 265 G C -1.169 173.721 174.900 -0.016 0.000 1.461 265 G CA -1.030 44.058 45.100 -0.019 0.000 0.817 265 G HN 0.391 nan 8.290 nan 0.000 0.556 266 L N 0.300 121.507 121.223 -0.027 0.000 2.473 266 L HA 0.353 4.694 4.340 0.002 0.000 0.268 266 L C 1.370 178.279 176.870 0.065 0.000 1.215 266 L CA -0.411 54.410 54.840 -0.031 0.000 0.823 266 L CB 0.380 42.287 42.059 -0.254 0.000 1.099 266 L HN 0.485 nan 8.230 nan 0.000 0.483 267 R N 0.193 120.776 120.500 0.139 0.000 2.679 267 R HA 0.154 4.495 4.340 0.002 0.000 0.269 267 R C -0.343 176.136 176.300 0.298 0.000 1.076 267 R CA -0.613 55.595 56.100 0.179 0.000 1.160 267 R CB 0.592 30.995 30.300 0.171 0.000 1.054 267 R HN 0.594 nan 8.270 nan 0.000 0.507 268 C N 2.190 121.616 119.300 0.210 0.000 2.644 268 C HA 0.289 4.750 4.460 0.002 0.000 0.417 268 C C 0.065 175.220 174.990 0.276 0.000 1.304 268 C CA -0.304 58.839 59.018 0.208 0.000 2.035 268 C CB -0.113 27.688 27.740 0.102 0.000 2.673 268 C HN 0.468 nan 8.230 nan 0.000 0.602 269 V N 7.305 127.327 119.914 0.180 0.000 2.378 269 V HA 0.324 4.445 4.120 0.002 0.000 0.288 269 V C -0.060 176.054 176.094 0.032 0.000 1.016 269 V CA -0.416 61.970 62.300 0.143 0.000 0.840 269 V CB 1.466 33.318 31.823 0.048 0.000 0.994 269 V HN 0.750 nan 8.190 nan 0.000 0.431 270 V N 6.469 126.422 119.914 0.065 0.000 2.432 270 V HA 0.350 4.471 4.120 0.002 0.000 0.271 270 V C -0.164 175.935 176.094 0.007 0.000 1.046 270 V CA -0.360 61.955 62.300 0.025 0.000 0.945 270 V CB 1.345 33.192 31.823 0.041 0.000 0.992 270 V HN 0.631 nan 8.190 nan 0.000 0.471 271 L N 9.287 130.493 121.223 -0.028 0.000 2.298 271 L HA 0.658 4.999 4.340 0.002 0.000 0.284 271 L C -2.592 174.256 176.870 -0.038 0.000 1.013 271 L CA -2.103 52.710 54.840 -0.045 0.000 0.824 271 L CB 1.640 43.647 42.059 -0.086 0.000 1.221 271 L HN 0.355 nan 8.230 nan 0.000 0.418 272 P HA 0.045 nan 4.420 nan 0.000 0.264 272 P C 0.356 177.638 177.300 -0.030 0.000 1.193 272 P CA 0.205 63.292 63.100 -0.023 0.000 0.763 272 P CB 0.598 32.287 31.700 -0.017 0.000 0.810 273 E N 2.432 122.615 120.200 -0.029 0.000 2.160 273 E HA -0.250 4.101 4.350 0.002 0.000 0.195 273 E C 0.368 176.956 176.600 -0.020 0.000 0.991 273 E CA 1.332 57.713 56.400 -0.033 0.000 0.810 273 E CB 0.026 29.705 29.700 -0.034 0.000 0.742 273 E HN 0.401 nan 8.360 nan 0.000 0.466 274 D N 0.220 120.617 120.400 -0.005 0.000 2.340 274 D HA -0.021 4.620 4.640 0.002 0.000 0.220 274 D C 1.693 178.033 176.300 0.066 0.000 1.039 274 D CA -0.032 53.986 54.000 0.030 0.000 0.866 274 D CB 0.100 40.915 40.800 0.025 0.000 0.913 274 D HN 0.248 nan 8.370 nan 0.000 0.523 275 L N 0.143 121.382 121.223 0.026 0.000 2.012 275 L HA -0.237 4.104 4.340 0.002 0.000 0.210 275 L C 1.950 178.855 176.870 0.059 0.000 1.073 275 L CA 1.449 56.305 54.840 0.026 0.000 0.748 275 L CB -0.101 41.944 42.059 -0.023 0.000 0.891 275 L HN 0.083 nan 8.230 nan 0.000 0.431 276 C N -0.965 118.355 119.300 0.032 0.000 2.425 276 C HA -0.200 4.261 4.460 0.002 0.000 0.277 276 C C 2.695 177.747 174.990 0.104 0.000 1.280 276 C CA 0.882 59.929 59.018 0.047 0.000 1.744 276 C CB -1.472 26.258 27.740 -0.017 0.000 1.989 276 C HN 0.643 nan 8.230 nan 0.000 0.491 277 H N 1.448 120.526 119.070 0.015 0.000 2.319 277 H HA -0.129 4.427 4.556 0.001 0.000 0.299 277 H C 2.080 177.419 175.328 0.019 0.000 1.092 277 H CA 1.733 57.786 56.048 0.009 0.000 1.302 277 H CB -0.149 29.610 29.762 -0.006 0.000 1.373 277 H HN 0.479 nan 8.280 nan 0.000 0.497 278 K N -0.445 119.957 120.400 0.003 0.000 2.097 278 K HA -0.132 4.189 4.320 0.002 0.000 0.205 278 K C 2.192 178.766 176.600 -0.043 0.000 1.050 278 K CA 1.072 57.327 56.287 -0.053 0.000 0.938 278 K CB -0.226 32.300 32.500 0.044 0.000 0.718 278 K HN 0.167 nan 8.250 nan 0.000 0.442 279 F N 1.890 121.785 119.950 -0.092 0.000 2.146 279 F HA -0.111 4.417 4.527 0.001 0.000 0.298 279 F C 1.854 177.598 175.800 -0.095 0.000 1.096 279 F CA 1.115 59.068 58.000 -0.078 0.000 1.275 279 F CB -0.156 38.803 39.000 -0.068 0.000 1.008 279 F HN -0.125 nan 8.300 nan 0.000 0.480 280 L N -0.051 121.138 121.223 -0.057 0.000 2.079 280 L HA -0.272 4.069 4.340 0.002 0.000 0.210 280 L C 2.603 179.336 176.870 -0.228 0.000 1.081 280 L CA 1.836 56.594 54.840 -0.137 0.000 0.752 280 L CB -0.839 41.179 42.059 -0.068 0.000 0.896 280 L HN 0.287 nan 8.230 nan 0.000 0.433 281 Q N 0.699 120.334 119.800 -0.275 0.000 2.050 281 Q HA -0.240 4.101 4.340 0.002 0.000 0.202 281 Q C 2.285 178.150 176.000 -0.224 0.000 0.980 281 Q CA 2.070 57.718 55.803 -0.258 0.000 0.840 281 Q CB -0.142 28.409 28.738 -0.312 0.000 0.898 281 Q HN 0.585 nan 8.270 nan 0.000 0.424 282 L N -1.490 119.575 121.223 -0.263 0.000 2.217 282 L HA 0.180 4.521 4.340 0.002 0.000 0.211 282 L C 2.022 178.707 176.870 -0.307 0.000 1.107 282 L CA 1.818 56.506 54.840 -0.254 0.000 0.783 282 L CB -0.660 41.255 42.059 -0.239 0.000 0.919 282 L HN 0.096 nan 8.230 nan 0.000 0.442 283 A N -0.596 121.968 122.820 -0.427 0.000 2.218 283 A HA -0.007 4.314 4.320 0.002 0.000 0.209 283 A C 2.237 179.697 177.584 -0.205 0.000 1.168 283 A CA 0.628 52.440 52.037 -0.375 0.000 0.804 283 A CB -0.596 18.092 19.000 -0.520 0.000 0.834 283 A HN 0.580 nan 8.150 nan 0.000 0.482 284 E N 0.976 121.071 120.200 -0.175 0.000 2.097 284 E HA -0.230 4.121 4.350 0.002 0.000 0.196 284 E C 2.137 178.686 176.600 -0.085 0.000 1.000 284 E CA 1.785 58.116 56.400 -0.114 0.000 0.804 284 E CB -0.081 29.557 29.700 -0.104 0.000 0.740 284 E HN 0.740 nan 8.360 nan 0.000 0.454 285 S N 0.311 115.960 115.700 -0.085 0.000 2.419 285 S HA -0.126 4.345 4.470 0.002 0.000 0.233 285 S C 1.594 176.161 174.600 -0.055 0.000 1.016 285 S CA 1.169 59.332 58.200 -0.062 0.000 0.974 285 S CB -0.214 62.952 63.200 -0.057 0.000 0.786 285 S HN 0.224 nan 8.310 nan 0.000 0.492 286 N N 1.457 120.117 118.700 -0.067 0.000 2.220 286 N HA 0.049 4.790 4.740 0.002 0.000 0.182 286 N C 1.786 177.270 175.510 -0.043 0.000 1.023 286 N CA 1.669 54.687 53.050 -0.053 0.000 0.856 286 N CB -1.218 37.234 38.487 -0.058 0.000 0.997 286 N HN 0.449 nan 8.380 nan 0.000 0.429 287 T N 1.494 116.019 114.554 -0.049 0.000 2.720 287 T HA -0.110 4.241 4.350 0.002 0.000 0.268 287 T C 2.062 176.748 174.700 -0.022 0.000 1.037 287 T CA 1.600 63.683 62.100 -0.028 0.000 1.144 287 T CB -0.416 68.431 68.868 -0.035 0.000 0.864 287 T HN 0.244 nan 8.240 nan 0.000 0.444 288 V N 0.226 120.122 119.914 -0.030 0.000 2.913 288 V HA 0.036 4.157 4.120 0.002 0.000 0.260 288 V C 1.969 178.051 176.094 -0.019 0.000 1.098 288 V CA 1.162 63.449 62.300 -0.023 0.000 1.121 288 V CB -0.826 30.981 31.823 -0.027 0.000 0.714 288 V HN 0.349 nan 8.190 nan 0.000 0.487 289 R N 1.013 121.500 120.500 -0.021 0.000 2.276 289 R HA 0.354 4.695 4.340 0.002 0.000 0.196 289 R C 1.628 177.920 176.300 -0.014 0.000 0.961 289 R CA 0.609 56.699 56.100 -0.017 0.000 1.024 289 R CB 0.094 30.381 30.300 -0.021 0.000 0.940 289 R HN 0.720 nan 8.270 nan 0.000 0.480 290 G N 1.668 110.461 108.800 -0.012 0.000 2.171 290 G HA2 -0.242 3.719 3.960 0.002 0.000 0.238 290 G HA3 -0.242 3.719 3.960 0.002 0.000 0.238 290 G C -0.051 174.838 174.900 -0.018 0.000 1.039 290 G CA -0.235 44.861 45.100 -0.007 0.000 0.759 290 G HN 0.211 nan 8.290 nan 0.000 0.501 291 I N 0.290 120.844 120.570 -0.026 0.000 2.474 291 I HA 0.358 4.529 4.170 0.002 0.000 0.294 291 I C 0.587 176.688 176.117 -0.027 0.000 1.005 291 I CA -0.958 60.312 61.300 -0.050 0.000 1.113 291 I CB 1.594 39.558 38.000 -0.060 0.000 1.289 291 I HN 0.083 nan 8.210 nan 0.000 0.436 292 E N 3.401 123.584 120.200 -0.028 0.000 2.392 292 E HA 0.334 4.685 4.350 0.002 0.000 0.259 292 E C -0.753 175.883 176.600 0.061 0.000 1.108 292 E CA -0.009 56.427 56.400 0.060 0.000 0.916 292 E CB 1.083 30.848 29.700 0.108 0.000 0.989 292 E HN 0.492 nan 8.360 nan 0.000 0.432 293 T N 0.751 115.397 114.554 0.153 0.000 2.912 293 T HA 0.411 4.762 4.350 0.002 0.000 0.299 293 T C -0.586 174.374 174.700 0.432 0.000 1.052 293 T CA -0.776 61.430 62.100 0.177 0.000 0.996 293 T CB 0.777 69.642 68.868 -0.006 0.000 1.070 293 T HN 0.723 nan 8.240 nan 0.000 0.465 294 C N 0.460 120.009 119.300 0.414 0.000 2.779 294 C HA 1.080 5.541 4.460 0.002 0.000 0.314 294 C C 0.380 175.626 174.990 0.427 0.000 1.231 294 C CA -0.545 58.745 59.018 0.452 0.000 1.652 294 C CB 0.844 28.785 27.740 0.335 0.000 2.198 294 C HN 1.175 nan 8.230 nan 0.000 0.483 295 G N 1.363 110.320 108.800 0.261 0.000 2.672 295 G HA2 0.701 4.662 3.960 0.002 0.000 0.292 295 G HA3 0.701 4.662 3.960 0.002 0.000 0.292 295 G C -1.609 173.368 174.900 0.128 0.000 1.375 295 G CA -0.630 44.592 45.100 0.204 0.000 0.890 295 G HN 0.746 nan 8.290 nan 0.000 0.476 296 I N 1.040 121.689 120.570 0.133 0.000 2.354 296 I HA 0.352 4.523 4.170 0.002 0.000 0.292 296 I C 0.109 176.283 176.117 0.095 0.000 0.989 296 I CA -0.933 60.457 61.300 0.150 0.000 1.188 296 I CB 1.155 39.260 38.000 0.175 0.000 1.342 296 I HN 0.260 nan 8.210 nan 0.000 0.457 297 L N 5.768 127.031 121.223 0.067 0.000 2.319 297 L HA 0.426 4.766 4.340 0.002 0.000 0.280 297 L C -0.320 176.600 176.870 0.084 0.000 1.099 297 L CA -0.055 54.808 54.840 0.039 0.000 0.828 297 L CB 0.781 42.828 42.059 -0.019 0.000 1.150 297 L HN 0.593 nan 8.230 nan 0.000 0.442 298 C N 2.135 121.494 119.300 0.098 0.000 2.994 298 C HA 0.991 5.452 4.460 0.002 0.000 0.304 298 C C 0.682 175.753 174.990 0.134 0.000 1.273 298 C CA -0.315 58.769 59.018 0.109 0.000 1.537 298 C CB 1.472 29.267 27.740 0.093 0.000 2.001 298 C HN 1.057 nan 8.230 nan 0.000 0.471 299 G N 1.045 109.923 108.800 0.131 0.000 2.485 299 G HA2 0.563 4.524 3.960 0.002 0.000 0.182 299 G HA3 0.563 4.524 3.960 0.002 0.000 0.182 299 G C -1.999 172.995 174.900 0.157 0.000 1.172 299 G CA -0.387 44.811 45.100 0.162 0.000 0.996 299 G HN 0.883 nan 8.290 nan 0.000 0.496 300 K N -1.146 119.362 120.400 0.179 0.000 2.444 300 K HA 0.833 5.154 4.320 0.002 0.000 0.252 300 K C -1.789 174.924 176.600 0.188 0.000 0.993 300 K CA -0.960 55.419 56.287 0.153 0.000 0.847 300 K CB 2.708 35.270 32.500 0.103 0.000 1.340 300 K HN 0.760 nan 8.250 nan 0.000 0.446 301 L N 1.365 122.645 121.223 0.096 0.000 2.342 301 L HA 0.504 4.845 4.340 0.002 0.000 0.276 301 L C -1.468 175.322 176.870 -0.133 0.000 0.997 301 L CA 0.396 55.196 54.840 -0.067 0.000 0.838 301 L CB 1.546 43.576 42.059 -0.048 0.000 1.224 301 L HN 0.935 nan 8.230 nan 0.000 0.416 302 T N -0.084 114.364 114.554 -0.178 0.000 2.933 302 T HA 0.434 4.785 4.350 0.002 0.000 0.305 302 T C -0.287 174.273 174.700 -0.234 0.000 1.092 302 T CA -0.528 61.409 62.100 -0.272 0.000 1.008 302 T CB 0.989 69.731 68.868 -0.211 0.000 1.102 302 T HN 0.654 nan 8.240 nan 0.000 0.469 303 H N 1.211 120.237 119.070 -0.074 0.000 2.713 303 H HA -0.204 4.353 4.556 0.002 0.000 0.311 303 H C 0.985 176.254 175.328 -0.099 0.000 1.175 303 H CA 1.127 57.134 56.048 -0.068 0.000 1.143 303 H CB -1.788 27.946 29.762 -0.046 0.000 1.434 303 H HN 1.083 nan 8.280 nan 0.000 0.418 304 N N -0.325 118.313 118.700 -0.104 0.000 2.741 304 N HA -0.190 4.551 4.740 0.002 0.000 0.251 304 N C -0.781 174.592 175.510 -0.228 0.000 1.112 304 N CA 1.779 54.735 53.050 -0.158 0.000 0.750 304 N CB -0.233 38.212 38.487 -0.070 0.000 1.119 304 N HN 0.818 nan 8.380 nan 0.000 0.561 305 E N -0.799 119.245 120.200 -0.261 0.000 2.317 305 E HA 0.421 4.772 4.350 0.002 0.000 0.270 305 E C -0.847 175.555 176.600 -0.330 0.000 0.885 305 E CA -0.757 55.510 56.400 -0.222 0.000 0.760 305 E CB 0.914 30.594 29.700 -0.033 0.000 1.227 305 E HN 0.051 nan 8.360 nan 0.000 0.434 306 F N 0.670 120.658 119.950 0.063 0.000 2.399 306 F HA 0.393 4.921 4.527 0.001 0.000 0.334 306 F C 0.475 176.305 175.800 0.051 0.000 1.097 306 F CA -0.341 57.695 58.000 0.060 0.000 1.076 306 F CB 1.833 40.877 39.000 0.073 0.000 1.162 306 F HN 0.145 nan 8.300 nan 0.000 0.495 307 T N 4.197 118.892 114.554 0.234 0.000 2.840 307 T HA 0.496 4.847 4.350 0.002 0.000 0.287 307 T C -0.189 174.597 174.700 0.144 0.000 0.991 307 T CA -0.515 61.674 62.100 0.148 0.000 0.964 307 T CB 0.882 69.814 68.868 0.106 0.000 0.954 307 T HN 0.287 nan 8.240 nan 0.000 0.438 308 I N 3.539 124.170 120.570 0.102 0.000 2.452 308 I HA 0.148 4.319 4.170 0.002 0.000 0.287 308 I C 1.696 177.863 176.117 0.083 0.000 1.079 308 I CA 0.069 61.420 61.300 0.086 0.000 1.387 308 I CB 1.034 39.056 38.000 0.037 0.000 1.404 308 I HN 0.832 nan 8.210 nan 0.000 0.522 309 T N 0.671 115.306 114.554 0.135 0.000 2.955 309 T HA 0.227 4.578 4.350 0.002 0.000 0.251 309 T C 0.340 175.030 174.700 -0.015 0.000 1.002 309 T CA 0.039 62.206 62.100 0.112 0.000 0.970 309 T CB 0.104 69.123 68.868 0.252 0.000 1.091 309 T HN 0.525 nan 8.240 nan 0.000 0.495 310 H N -0.312 118.773 119.070 0.025 0.000 2.930 310 H HA 0.719 5.276 4.556 0.002 0.000 0.371 310 H C -1.532 173.804 175.328 0.014 0.000 1.169 310 H CA -0.748 55.304 56.048 0.008 0.000 1.157 310 H CB 2.290 32.041 29.762 -0.019 0.000 1.789 310 H HN 0.144 nan 8.280 nan 0.000 0.547 311 V N 4.204 124.196 119.914 0.130 0.000 2.448 311 V HA 0.473 4.594 4.120 0.002 0.000 0.295 311 V C -0.783 175.383 176.094 0.119 0.000 1.025 311 V CA -0.516 61.851 62.300 0.111 0.000 0.859 311 V CB 0.534 32.421 31.823 0.108 0.000 0.988 311 V HN 0.657 nan 8.190 nan 0.000 0.431 312 I N 7.157 127.790 120.570 0.106 0.000 2.321 312 I HA 0.378 4.549 4.170 0.002 0.000 0.291 312 I C -0.411 175.773 176.117 0.112 0.000 0.998 312 I CA -0.715 60.635 61.300 0.082 0.000 1.227 312 I CB 1.794 39.824 38.000 0.049 0.000 1.368 312 I HN 0.301 nan 8.210 nan 0.000 0.466 313 V N 8.915 128.894 119.914 0.108 0.000 2.304 313 V HA 0.262 4.383 4.120 0.002 0.000 0.269 313 V C -1.910 174.227 176.094 0.072 0.000 1.036 313 V CA -1.566 60.811 62.300 0.128 0.000 0.840 313 V CB 0.648 32.543 31.823 0.121 0.000 1.036 313 V HN 0.584 nan 8.190 nan 0.000 0.466 314 P HA 0.229 nan 4.420 nan 0.000 0.276 314 P C -0.334 176.980 177.300 0.022 0.000 1.261 314 P CA -0.664 62.450 63.100 0.023 0.000 0.800 314 P CB 1.064 32.766 31.700 0.002 0.000 1.066 315 K N 0.832 121.235 120.400 0.004 0.000 2.527 315 K HA 0.029 4.350 4.320 0.002 0.000 0.278 315 K C 0.602 177.210 176.600 0.013 0.000 0.981 315 K CA 0.711 57.002 56.287 0.006 0.000 1.009 315 K CB -0.052 32.447 32.500 -0.003 0.000 0.895 315 K HN 0.544 nan 8.250 nan 0.000 0.493 316 Q N -0.215 119.598 119.800 0.022 0.000 2.594 316 Q HA 0.357 4.698 4.340 0.002 0.000 0.278 316 Q C -1.493 174.531 176.000 0.040 0.000 0.961 316 Q CA -0.930 54.895 55.803 0.036 0.000 0.844 316 Q CB 1.393 30.162 28.738 0.053 0.000 1.475 316 Q HN 0.368 nan 8.270 nan 0.000 0.389 317 S N -0.042 115.695 115.700 0.063 0.000 2.638 317 S HA 0.998 5.469 4.470 0.002 0.000 0.298 317 S C -0.962 173.686 174.600 0.080 0.000 1.111 317 S CA 0.035 58.283 58.200 0.080 0.000 1.027 317 S CB 1.610 64.881 63.200 0.119 0.000 1.064 317 S HN 0.802 nan 8.310 nan 0.000 0.525 318 A N 0.629 123.442 122.820 -0.012 0.000 2.599 318 A HA 0.934 5.255 4.320 0.002 0.000 0.290 318 A C -0.299 176.964 177.584 -0.534 0.000 1.101 318 A CA -0.266 51.595 52.037 -0.293 0.000 0.674 318 A CB 1.097 19.995 19.000 -0.169 0.000 1.277 318 A HN 1.064 nan 8.150 nan 0.000 0.419 319 G N -1.404 106.766 108.800 -1.049 0.000 2.911 319 G HA2 0.684 4.645 3.960 0.002 0.000 0.299 319 G HA3 0.684 4.645 3.960 0.002 0.000 0.299 319 G C -2.433 172.242 174.900 -0.376 0.000 1.283 319 G CA -0.213 44.502 45.100 -0.642 0.000 0.805 319 G HN 0.441 nan 8.290 nan 0.000 0.548 320 P HA 0.055 nan 4.420 nan 0.000 0.223 320 P C 0.017 177.307 177.300 -0.017 0.000 1.151 320 P CA 1.619 64.689 63.100 -0.050 0.000 0.787 320 P CB 0.259 31.957 31.700 -0.002 0.000 0.788 321 D N -2.528 117.898 120.400 0.044 0.000 2.651 321 D HA 0.082 4.723 4.640 0.002 0.000 0.280 321 D C -0.106 176.436 176.300 0.404 0.000 1.496 321 D CA -0.869 53.234 54.000 0.172 0.000 0.792 321 D CB -0.781 40.085 40.800 0.110 0.000 1.144 321 D HN 0.257 nan 8.370 nan 0.000 0.470 322 Y N -2.064 118.354 120.300 0.197 0.000 2.641 322 Y HA 0.693 5.244 4.550 0.002 0.000 0.333 322 Y C -1.744 174.231 175.900 0.124 0.000 1.174 322 Y CA -1.596 56.604 58.100 0.167 0.000 1.057 322 Y CB 0.951 39.510 38.460 0.165 0.000 1.322 322 Y HN -0.017 nan 8.280 nan 0.000 0.457 323 C N 1.772 121.201 119.300 0.214 0.000 2.698 323 C HA 0.595 5.056 4.460 0.002 0.000 0.309 323 C C -1.505 173.607 174.990 0.204 0.000 1.186 323 C CA -0.646 58.465 59.018 0.154 0.000 1.474 323 C CB 1.670 29.487 27.740 0.127 0.000 2.020 323 C HN 0.759 nan 8.230 nan 0.000 0.474 324 D N 3.001 123.515 120.400 0.189 0.000 2.481 324 D HA 0.355 4.996 4.640 0.002 0.000 0.246 324 D C -0.304 176.032 176.300 0.061 0.000 1.109 324 D CA -0.056 54.010 54.000 0.110 0.000 0.845 324 D CB 1.369 42.240 40.800 0.119 0.000 1.160 324 D HN 0.473 nan 8.370 nan 0.000 0.534 325 M N 1.398 121.012 119.600 0.023 0.000 2.245 325 M HA 0.157 4.638 4.480 0.002 0.000 0.344 325 M C 0.510 176.800 176.300 -0.017 0.000 1.170 325 M CA 0.545 55.846 55.300 0.002 0.000 1.135 325 M CB 0.809 33.395 32.600 -0.023 0.000 1.574 325 M HN 0.143 nan 8.290 nan 0.000 0.452 326 E N 0.945 121.132 120.200 -0.021 0.000 2.359 326 E HA 0.325 4.676 4.350 0.002 0.000 0.266 326 E C -0.714 175.855 176.600 -0.051 0.000 0.920 326 E CA -1.019 55.364 56.400 -0.028 0.000 0.788 326 E CB 1.191 30.887 29.700 -0.006 0.000 1.279 326 E HN 0.593 nan 8.360 nan 0.000 0.438 327 N N 0.350 119.020 118.700 -0.050 0.000 2.705 327 N HA -0.179 4.562 4.740 0.002 0.000 0.255 327 N C 0.738 176.176 175.510 -0.120 0.000 1.008 327 N CA 0.947 53.961 53.050 -0.061 0.000 0.742 327 N CB -1.431 37.033 38.487 -0.038 0.000 0.906 327 N HN 0.442 nan 8.380 nan 0.000 0.541 328 V N -2.226 117.585 119.914 -0.173 0.000 2.594 328 V HA -0.246 3.875 4.120 0.002 0.000 0.253 328 V C 1.826 177.627 176.094 -0.489 0.000 1.069 328 V CA 1.921 63.996 62.300 -0.375 0.000 1.082 328 V CB -0.202 31.384 31.823 -0.394 0.000 0.680 328 V HN 0.325 nan 8.190 nan 0.000 0.469 329 E N 1.342 121.431 120.200 -0.184 0.000 2.085 329 E HA -0.236 4.115 4.350 0.002 0.000 0.194 329 E C 2.167 178.746 176.600 -0.036 0.000 0.994 329 E CA 1.825 58.209 56.400 -0.026 0.000 0.801 329 E CB -0.490 29.229 29.700 0.030 0.000 0.743 329 E HN 0.853 nan 8.360 nan 0.000 0.453 330 E N 0.362 120.521 120.200 -0.068 0.000 2.077 330 E HA -0.207 4.144 4.350 0.002 0.000 0.193 330 E C 2.003 178.573 176.600 -0.051 0.000 0.989 330 E CA 0.824 57.203 56.400 -0.035 0.000 0.800 330 E CB -0.073 29.609 29.700 -0.030 0.000 0.746 330 E HN 0.227 nan 8.360 nan 0.000 0.452 331 L N 0.482 121.610 121.223 -0.159 0.000 1.990 331 L HA -0.198 4.143 4.340 0.002 0.000 0.213 331 L C 2.068 178.906 176.870 -0.055 0.000 1.072 331 L CA 1.856 56.594 54.840 -0.169 0.000 0.755 331 L CB -0.751 41.111 42.059 -0.327 0.000 0.889 331 L HN 0.120 nan 8.230 nan 0.000 0.432 332 F N 0.260 120.221 119.950 0.018 0.000 2.171 332 F HA -0.148 4.380 4.527 0.002 0.000 0.300 332 F C 2.428 178.241 175.800 0.022 0.000 1.090 332 F CA 1.087 59.096 58.000 0.014 0.000 1.293 332 F CB -1.492 37.510 39.000 0.002 0.000 1.013 332 F HN 0.241 nan 8.300 nan 0.000 0.486 333 N N 0.436 119.248 118.700 0.187 0.000 2.120 333 N HA -0.136 4.604 4.740 0.002 0.000 0.188 333 N C 2.179 177.758 175.510 0.114 0.000 1.024 333 N CA 1.287 54.409 53.050 0.121 0.000 0.852 333 N CB -0.781 37.755 38.487 0.082 0.000 1.003 333 N HN 0.119 nan 8.380 nan 0.000 0.424 334 V N 1.499 121.482 119.914 0.114 0.000 2.358 334 V HA -0.211 3.910 4.120 0.002 0.000 0.246 334 V C 2.280 178.484 176.094 0.183 0.000 1.047 334 V CA 1.485 63.880 62.300 0.158 0.000 1.035 334 V CB -0.530 31.352 31.823 0.098 0.000 0.658 334 V HN 0.325 nan 8.190 nan 0.000 0.452 335 Q N -0.598 119.284 119.800 0.136 0.000 2.124 335 Q HA -0.240 4.101 4.340 0.002 0.000 0.202 335 Q C 2.215 178.278 176.000 0.106 0.000 0.977 335 Q CA 1.813 57.688 55.803 0.119 0.000 0.850 335 Q CB -0.267 28.559 28.738 0.148 0.000 0.901 335 Q HN 0.656 nan 8.270 nan 0.000 0.429 336 D N 0.568 121.030 120.400 0.103 0.000 2.084 336 D HA -0.193 4.448 4.640 0.002 0.000 0.194 336 D C 1.729 178.053 176.300 0.039 0.000 0.990 336 D CA 1.285 55.323 54.000 0.063 0.000 0.826 336 D CB 0.173 41.008 40.800 0.060 0.000 0.971 336 D HN 0.296 nan 8.370 nan 0.000 0.453 337 Q N -0.985 118.841 119.800 0.043 0.000 2.135 337 Q HA -0.167 4.174 4.340 0.002 0.000 0.204 337 Q C 1.430 177.333 176.000 -0.161 0.000 0.981 337 Q CA 1.297 57.067 55.803 -0.054 0.000 0.856 337 Q CB -0.097 28.604 28.738 -0.062 0.000 0.902 337 Q HN 0.509 nan 8.270 nan 0.000 0.425 338 H N -0.672 118.377 119.070 -0.034 0.000 2.586 338 H HA 0.062 4.619 4.556 0.002 0.000 0.273 338 H C -0.595 174.686 175.328 -0.079 0.000 0.997 338 H CA 0.082 56.082 56.048 -0.080 0.000 1.177 338 H CB 0.562 30.214 29.762 -0.183 0.000 1.471 338 H HN 0.098 nan 8.280 nan 0.000 0.538 339 D N 0.907 121.335 120.400 0.046 0.000 2.812 339 D HA -0.186 4.455 4.640 0.002 0.000 0.237 339 D C -1.044 175.277 176.300 0.034 0.000 1.162 339 D CA 0.390 54.410 54.000 0.034 0.000 0.740 339 D CB -1.184 39.631 40.800 0.024 0.000 1.000 339 D HN 0.377 nan 8.370 nan 0.000 0.416 340 L N 0.822 122.067 121.223 0.036 0.000 2.334 340 L HA 0.632 4.973 4.340 0.002 0.000 0.273 340 L C 0.317 177.226 176.870 0.065 0.000 1.013 340 L CA -1.334 53.525 54.840 0.032 0.000 0.816 340 L CB 1.601 43.647 42.059 -0.022 0.000 1.278 340 L HN 0.168 nan 8.230 nan 0.000 0.431 341 L N 1.036 122.309 121.223 0.084 0.000 2.334 341 L HA 0.557 4.898 4.340 0.002 0.000 0.272 341 L C -0.044 176.882 176.870 0.094 0.000 1.020 341 L CA 0.232 55.127 54.840 0.092 0.000 0.812 341 L CB 2.024 44.156 42.059 0.120 0.000 1.264 341 L HN 0.471 nan 8.230 nan 0.000 0.439 342 T N 5.550 120.160 114.554 0.094 0.000 2.851 342 T HA 0.358 4.709 4.350 0.002 0.000 0.298 342 T C 0.988 175.733 174.700 0.075 0.000 0.977 342 T CA 0.077 62.252 62.100 0.127 0.000 1.126 342 T CB 0.388 69.361 68.868 0.175 0.000 0.916 342 T HN 0.581 nan 8.240 nan 0.000 0.529 343 L N 2.174 123.445 121.223 0.079 0.000 2.966 343 L HA 0.462 4.803 4.340 0.002 0.000 0.262 343 L C 1.241 178.144 176.870 0.055 0.000 1.165 343 L CA -0.299 54.539 54.840 -0.005 0.000 0.978 343 L CB 0.211 42.255 42.059 -0.025 0.000 1.337 343 L HN 0.927 nan 8.230 nan 0.000 0.563 344 G N -0.348 108.522 108.800 0.117 0.000 2.302 344 G HA2 0.075 4.036 3.960 0.002 0.000 0.264 344 G HA3 0.075 4.036 3.960 0.002 0.000 0.264 344 G C -2.451 172.421 174.900 -0.046 0.000 1.335 344 G CA -0.233 44.883 45.100 0.028 0.000 0.982 344 G HN 0.033 nan 8.290 nan 0.000 0.473 345 W N -0.945 120.109 121.300 -0.409 0.000 3.074 345 W HA 0.820 5.482 4.660 0.003 0.000 0.332 345 W C -1.880 174.472 176.519 -0.278 0.000 1.253 345 W CA -1.582 55.550 57.345 -0.356 0.000 1.180 345 W CB 0.833 30.002 29.460 -0.485 0.000 1.445 345 W HN 1.009 nan 8.180 nan 0.000 0.573 346 I N 2.859 123.246 120.570 -0.305 0.000 2.686 346 I HA 0.577 4.748 4.170 0.002 0.000 0.295 346 I C -1.071 174.808 176.117 -0.396 0.000 1.114 346 I CA -0.516 60.425 61.300 -0.598 0.000 1.038 346 I CB 1.949 39.448 38.000 -0.834 0.000 1.238 346 I HN 0.633 nan 8.210 nan 0.000 0.420 347 H N 2.668 121.432 119.070 -0.511 0.000 3.017 347 H HA 0.441 4.999 4.556 0.003 0.000 0.346 347 H C -1.705 173.606 175.328 -0.027 0.000 1.286 347 H CA -0.664 55.322 56.048 -0.105 0.000 1.120 347 H CB 1.299 31.111 29.762 0.084 0.000 1.860 347 H HN 0.525 nan 8.280 nan 0.000 0.542 348 T N -1.089 113.571 114.554 0.177 0.000 2.909 348 T HA 0.324 4.675 4.350 0.002 0.000 0.286 348 T C -0.269 174.495 174.700 0.106 0.000 1.002 348 T CA -0.691 61.446 62.100 0.062 0.000 1.074 348 T CB 0.908 69.865 68.868 0.149 0.000 0.984 348 T HN 0.685 nan 8.240 nan 0.000 0.495 349 H N 2.603 121.598 119.070 -0.126 0.000 2.683 349 H HA 0.231 4.788 4.556 0.001 0.000 0.270 349 H C -1.823 173.510 175.328 0.009 0.000 1.201 349 H CA -2.326 53.684 56.048 -0.064 0.000 1.277 349 H CB 1.408 31.091 29.762 -0.133 0.000 1.400 349 H HN 0.510 nan 8.280 nan 0.000 0.504 350 P HA -0.187 nan 4.420 nan 0.000 0.216 350 P C 1.465 178.817 177.300 0.087 0.000 1.150 350 P CA 1.700 64.846 63.100 0.077 0.000 0.843 350 P CB 0.398 32.123 31.700 0.043 0.000 0.787 351 T N -7.538 107.081 114.554 0.109 0.000 2.966 351 T HA 0.184 4.535 4.350 0.002 0.000 0.254 351 T C 0.799 175.654 174.700 0.257 0.000 0.961 351 T CA -0.260 61.917 62.100 0.129 0.000 0.915 351 T CB -0.195 68.719 68.868 0.077 0.000 1.186 351 T HN -0.001 nan 8.240 nan 0.000 0.505 352 Q N 2.496 122.445 119.800 0.249 0.000 2.249 352 Q HA 0.455 4.796 4.340 0.002 0.000 0.226 352 Q C 0.270 176.451 176.000 0.301 0.000 0.983 352 Q CA -0.419 55.566 55.803 0.304 0.000 0.930 352 Q CB 1.098 30.000 28.738 0.273 0.000 1.193 352 Q HN 0.560 nan 8.270 nan 0.000 0.508 353 T N -1.898 112.723 114.554 0.112 0.000 2.748 353 T HA 0.346 4.697 4.350 0.002 0.000 0.304 353 T C 0.040 174.957 174.700 0.361 0.000 1.041 353 T CA -0.699 61.396 62.100 -0.008 0.000 1.033 353 T CB 0.510 69.323 68.868 -0.093 0.000 0.995 353 T HN 0.599 nan 8.240 nan 0.000 0.536 354 A N 2.128 125.083 122.820 0.225 0.000 2.347 354 A HA 0.637 4.958 4.320 0.002 0.000 0.287 354 A C -0.206 177.639 177.584 0.434 0.000 1.199 354 A CA -0.861 51.272 52.037 0.160 0.000 0.851 354 A CB -0.983 18.077 19.000 0.100 0.000 1.118 354 A HN 1.029 nan 8.150 nan 0.000 0.525 355 F N 0.056 120.067 119.950 0.100 0.000 2.817 355 F HA 0.635 5.163 4.527 0.001 0.000 0.317 355 F C -1.712 173.854 175.800 -0.389 0.000 1.168 355 F CA -1.459 56.450 58.000 -0.152 0.000 0.911 355 F CB 1.058 40.108 39.000 0.083 0.000 1.337 355 F HN 0.260 nan 8.300 nan 0.000 0.464 356 L N 3.040 123.704 121.223 -0.932 0.000 2.265 356 L HA 0.515 4.856 4.340 0.002 0.000 0.289 356 L C 0.399 177.244 176.870 -0.042 0.000 1.033 356 L CA -0.815 53.666 54.840 -0.598 0.000 0.814 356 L CB 1.531 43.060 42.059 -0.883 0.000 1.203 356 L HN 0.914 nan 8.230 nan 0.000 0.423 357 S N 1.094 116.902 115.700 0.181 0.000 2.606 357 S HA 0.047 4.518 4.470 0.002 0.000 0.257 357 S C 1.385 176.125 174.600 0.233 0.000 1.327 357 S CA -0.063 58.377 58.200 0.400 0.000 0.984 357 S CB 1.169 64.650 63.200 0.469 0.000 0.941 357 S HN 0.725 nan 8.310 nan 0.000 0.576 358 S N 0.368 116.211 115.700 0.238 0.000 2.382 358 S HA -0.125 4.346 4.470 0.002 0.000 0.228 358 S C 1.772 176.402 174.600 0.049 0.000 1.027 358 S CA 1.192 59.460 58.200 0.114 0.000 0.991 358 S CB -1.228 61.932 63.200 -0.066 0.000 0.823 358 S HN 0.599 nan 8.310 nan 0.000 0.469 359 V N 3.028 122.859 119.914 -0.138 0.000 2.343 359 V HA -0.166 3.955 4.120 0.002 0.000 0.247 359 V C 2.432 178.531 176.094 0.008 0.000 1.051 359 V CA 2.185 64.355 62.300 -0.216 0.000 1.036 359 V CB -0.894 30.561 31.823 -0.612 0.000 0.654 359 V HN 0.430 nan 8.190 nan 0.000 0.451 360 D N 0.094 120.555 120.400 0.103 0.000 2.149 360 D HA -0.139 4.502 4.640 0.002 0.000 0.198 360 D C 2.141 178.584 176.300 0.240 0.000 0.990 360 D CA 1.143 55.291 54.000 0.248 0.000 0.839 360 D CB -0.244 40.719 40.800 0.272 0.000 0.948 360 D HN 0.346 nan 8.370 nan 0.000 0.460 361 L N 0.267 121.561 121.223 0.119 0.000 2.017 361 L HA -0.181 4.160 4.340 0.002 0.000 0.208 361 L C 2.548 179.427 176.870 0.015 0.000 1.073 361 L CA 1.123 55.991 54.840 0.048 0.000 0.745 361 L CB -0.463 41.550 42.059 -0.077 0.000 0.894 361 L HN 0.203 nan 8.230 nan 0.000 0.432 362 H N -0.701 118.389 119.070 0.032 0.000 2.353 362 H HA -0.130 4.427 4.556 0.002 0.000 0.300 362 H C 2.323 177.643 175.328 -0.014 0.000 1.090 362 H CA 1.943 58.000 56.048 0.016 0.000 1.327 362 H CB -0.157 29.615 29.762 0.017 0.000 1.383 362 H HN 0.327 nan 8.280 nan 0.000 0.508 363 T N -0.174 114.413 114.554 0.056 0.000 2.684 363 T HA -0.205 4.146 4.350 0.002 0.000 0.267 363 T C 1.926 176.635 174.700 0.015 0.000 1.036 363 T CA 1.837 63.861 62.100 -0.127 0.000 1.148 363 T CB -0.453 68.120 68.868 -0.492 0.000 0.863 363 T HN 0.470 nan 8.240 nan 0.000 0.436 364 H N -0.206 118.959 119.070 0.158 0.000 2.389 364 H HA -0.005 4.553 4.556 0.002 0.000 0.299 364 H C 2.494 177.958 175.328 0.228 0.000 1.081 364 H CA 1.112 57.373 56.048 0.355 0.000 1.345 364 H CB -0.846 29.178 29.762 0.436 0.000 1.393 364 H HN 0.415 nan 8.280 nan 0.000 0.520 365 C N -0.340 118.987 119.300 0.046 0.000 2.401 365 C HA -0.185 4.276 4.460 0.002 0.000 0.276 365 C C 2.968 177.914 174.990 -0.073 0.000 1.233 365 C CA 1.736 60.732 59.018 -0.038 0.000 1.753 365 C CB -1.276 26.424 27.740 -0.067 0.000 2.029 365 C HN 0.660 nan 8.230 nan 0.000 0.478 366 S N -0.810 114.851 115.700 -0.066 0.000 2.368 366 S HA -0.152 4.319 4.470 0.002 0.000 0.225 366 S C 1.443 175.937 174.600 -0.178 0.000 1.030 366 S CA 1.903 60.027 58.200 -0.126 0.000 0.999 366 S CB -0.589 62.508 63.200 -0.173 0.000 0.844 366 S HN 0.799 nan 8.310 nan 0.000 0.459 367 Y N 1.459 121.619 120.300 -0.233 0.000 2.181 367 Y HA -0.141 4.410 4.550 0.002 0.000 0.288 367 Y C 2.803 178.574 175.900 -0.214 0.000 1.146 367 Y CA 1.522 59.495 58.100 -0.212 0.000 1.164 367 Y CB -0.264 38.078 38.460 -0.197 0.000 0.982 367 Y HN 0.266 nan 8.280 nan 0.000 0.515 368 Q N 0.054 119.761 119.800 -0.154 0.000 2.311 368 Q HA -0.098 4.243 4.340 0.002 0.000 0.203 368 Q C 1.956 177.928 176.000 -0.047 0.000 0.954 368 Q CA 0.581 56.323 55.803 -0.103 0.000 0.885 368 Q CB -0.073 28.596 28.738 -0.114 0.000 0.963 368 Q HN 0.527 nan 8.270 nan 0.000 0.471 369 L N -0.216 120.973 121.223 -0.057 0.000 2.093 369 L HA -0.182 4.159 4.340 0.002 0.000 0.208 369 L C 2.326 179.173 176.870 -0.039 0.000 1.085 369 L CA 0.717 55.532 54.840 -0.041 0.000 0.755 369 L CB -0.239 41.792 42.059 -0.048 0.000 0.904 369 L HN 0.373 nan 8.230 nan 0.000 0.435 370 M N -1.097 118.471 119.600 -0.054 0.000 2.236 370 M HA 0.057 4.538 4.480 0.002 0.000 0.266 370 M C 0.253 176.537 176.300 -0.027 0.000 1.070 370 M CA 0.900 56.171 55.300 -0.049 0.000 1.137 370 M CB -0.334 32.219 32.600 -0.078 0.000 1.378 370 M HN 0.084 nan 8.290 nan 0.000 0.426 371 L N 0.485 121.693 121.223 -0.025 0.000 2.457 371 L HA 0.392 4.733 4.340 0.002 0.000 0.266 371 L C -2.215 174.644 176.870 -0.019 0.000 0.979 371 L CA -1.496 53.324 54.840 -0.034 0.000 0.857 371 L CB 1.728 43.734 42.059 -0.088 0.000 1.213 371 L HN -0.187 nan 8.230 nan 0.000 0.418 372 P HA -0.116 nan 4.420 nan 0.000 0.219 372 P C 0.437 177.730 177.300 -0.011 0.000 1.146 372 P CA 1.171 64.272 63.100 0.001 0.000 0.808 372 P CB 0.434 32.139 31.700 0.009 0.000 0.779 373 E N -0.774 119.418 120.200 -0.013 0.000 2.502 373 E HA 0.142 4.493 4.350 0.002 0.000 0.194 373 E C 0.784 177.489 176.600 0.174 0.000 1.062 373 E CA -0.059 56.364 56.400 0.039 0.000 0.867 373 E CB -0.673 29.079 29.700 0.088 0.000 0.888 373 E HN 0.168 nan 8.360 nan 0.000 0.510 374 A N 1.469 124.354 122.820 0.107 0.000 2.531 374 A HA 0.334 4.655 4.320 0.002 0.000 0.236 374 A C 0.402 178.212 177.584 0.376 0.000 1.062 374 A CA -0.053 52.096 52.037 0.186 0.000 0.760 374 A CB -0.335 18.765 19.000 0.167 0.000 0.995 374 A HN 0.374 nan 8.150 nan 0.000 0.501 375 I N -1.347 119.385 120.570 0.271 0.000 2.846 375 I HA 0.837 5.008 4.170 0.002 0.000 0.307 375 I C -0.131 175.892 176.117 -0.155 0.000 1.053 375 I CA -1.113 60.233 61.300 0.076 0.000 1.050 375 I CB 2.496 40.466 38.000 -0.050 0.000 1.239 375 I HN 0.612 nan 8.210 nan 0.000 0.439 376 A N 6.216 128.718 122.820 -0.531 0.000 2.285 376 A HA 0.752 5.073 4.320 0.002 0.000 0.310 376 A C -0.662 176.522 177.584 -0.667 0.000 1.266 376 A CA -0.522 50.999 52.037 -0.859 0.000 0.832 376 A CB 0.461 18.899 19.000 -0.937 0.000 1.163 376 A HN 0.688 nan 8.150 nan 0.000 0.499 377 I N 2.833 122.983 120.570 -0.700 0.000 2.353 377 I HA 0.387 4.558 4.170 0.002 0.000 0.293 377 I C -0.664 175.055 176.117 -0.663 0.000 0.992 377 I CA -0.722 60.218 61.300 -0.601 0.000 1.268 377 I CB 1.811 39.520 38.000 -0.485 0.000 1.387 377 I HN 0.286 nan 8.210 nan 0.000 0.478 378 V N 5.724 125.259 119.914 -0.632 0.000 2.407 378 V HA 0.265 4.386 4.120 0.002 0.000 0.291 378 V C -0.376 175.418 176.094 -0.499 0.000 1.018 378 V CA -0.592 61.278 62.300 -0.717 0.000 0.842 378 V CB 1.484 32.861 31.823 -0.745 0.000 0.996 378 V HN 0.806 nan 8.190 nan 0.000 0.426 379 C N 3.326 122.385 119.300 -0.401 0.000 2.285 379 C HA 0.532 4.993 4.460 0.002 0.000 0.335 379 C C 0.991 175.902 174.990 -0.130 0.000 1.267 379 C CA -0.417 58.484 59.018 -0.195 0.000 1.762 379 C CB 0.264 27.968 27.740 -0.060 0.000 2.365 379 C HN 0.836 nan 8.230 nan 0.000 0.527 380 S N 4.831 120.495 115.700 -0.059 0.000 2.252 380 S HA 0.227 4.698 4.470 0.002 0.000 0.180 380 S C -1.364 173.292 174.600 0.093 0.000 1.534 380 S CA -0.550 57.684 58.200 0.056 0.000 1.141 380 S CB 0.595 63.852 63.200 0.095 0.000 1.122 380 S HN 0.700 nan 8.310 nan 0.000 0.475 381 P HA -0.120 nan 4.420 nan 0.000 0.220 381 P C 1.226 178.548 177.300 0.037 0.000 1.148 381 P CA 0.827 63.953 63.100 0.043 0.000 0.803 381 P CB 0.353 32.066 31.700 0.023 0.000 0.782 382 K N -0.575 119.851 120.400 0.043 0.000 2.148 382 K HA -0.134 4.187 4.320 0.002 0.000 0.204 382 K C 1.761 178.271 176.600 -0.151 0.000 1.050 382 K CA 1.009 57.262 56.287 -0.057 0.000 0.942 382 K CB -0.190 32.260 32.500 -0.083 0.000 0.724 382 K HN 0.259 nan 8.250 nan 0.000 0.446 383 H N 0.263 119.357 119.070 0.040 0.000 2.529 383 H HA 0.124 4.680 4.556 -0.000 0.000 0.277 383 H C -0.281 175.064 175.328 0.028 0.000 1.004 383 H CA 0.203 56.275 56.048 0.041 0.000 1.167 383 H CB 0.475 30.275 29.762 0.064 0.000 1.445 383 H HN 0.089 nan 8.280 nan 0.000 0.554 384 K N 2.455 122.913 120.400 0.096 0.000 3.156 384 K HA -0.163 4.158 4.320 0.002 0.000 0.266 384 K C -0.661 175.972 176.600 0.054 0.000 0.966 384 K CA 1.051 57.371 56.287 0.055 0.000 0.719 384 K CB -1.011 31.510 32.500 0.034 0.000 1.333 384 K HN 0.606 nan 8.250 nan 0.000 0.468 385 D N -1.275 119.161 120.400 0.060 0.000 2.581 385 D HA 0.447 5.088 4.640 0.002 0.000 0.232 385 D C -0.640 175.640 176.300 -0.032 0.000 1.143 385 D CA -0.632 53.381 54.000 0.023 0.000 0.881 385 D CB 1.804 42.635 40.800 0.052 0.000 1.500 385 D HN -0.078 nan 8.370 nan 0.000 0.458 386 T N -0.112 114.391 114.554 -0.085 0.000 2.879 386 T HA 0.657 5.008 4.350 0.002 0.000 0.290 386 T C -0.088 174.443 174.700 -0.281 0.000 0.993 386 T CA -0.802 61.191 62.100 -0.180 0.000 0.975 386 T CB 1.641 70.406 68.868 -0.173 0.000 0.981 386 T HN 0.602 nan 8.240 nan 0.000 0.439 387 G N 1.857 110.380 108.800 -0.462 0.000 2.356 387 G HA2 0.690 4.651 3.960 0.002 0.000 0.322 387 G HA3 0.690 4.651 3.960 0.002 0.000 0.322 387 G C -0.697 173.500 174.900 -1.172 0.000 1.125 387 G CA -0.649 43.835 45.100 -1.026 0.000 0.885 387 G HN 0.760 nan 8.290 nan 0.000 0.467 388 I N 2.115 122.010 120.570 -1.124 0.000 2.437 388 I HA 0.364 4.535 4.170 0.002 0.000 0.279 388 I C -1.050 174.730 176.117 -0.562 0.000 1.028 388 I CA -0.379 60.503 61.300 -0.697 0.000 1.142 388 I CB 0.989 38.753 38.000 -0.393 0.000 1.266 388 I HN 0.185 nan 8.210 nan 0.000 0.461 389 F N 4.966 124.814 119.950 -0.169 0.000 2.598 389 F HA 0.742 5.270 4.527 0.000 0.000 0.327 389 F C 0.281 175.995 175.800 -0.144 0.000 1.057 389 F CA -0.975 56.976 58.000 -0.082 0.000 0.957 389 F CB 1.662 40.635 39.000 -0.044 0.000 1.278 389 F HN 0.362 nan 8.300 nan 0.000 0.484 390 R N 0.675 121.315 120.500 0.233 0.000 2.817 390 R HA 0.720 5.061 4.340 0.002 0.000 0.268 390 R C -1.959 174.495 176.300 0.258 0.000 1.027 390 R CA -0.971 55.240 56.100 0.186 0.000 0.928 390 R CB 1.404 31.859 30.300 0.259 0.000 1.228 390 R HN 0.595 nan 8.270 nan 0.000 0.469 391 L N 1.862 123.278 121.223 0.323 0.000 2.395 391 L HA 0.266 4.607 4.340 0.002 0.000 0.269 391 L C 0.834 177.798 176.870 0.156 0.000 1.133 391 L CA -0.496 54.489 54.840 0.242 0.000 0.812 391 L CB 1.429 43.615 42.059 0.212 0.000 1.125 391 L HN 0.917 nan 8.230 nan 0.000 0.452 392 T N -1.282 113.338 114.554 0.109 0.000 2.788 392 T HA 0.112 4.463 4.350 0.002 0.000 0.280 392 T C 0.940 175.670 174.700 0.050 0.000 0.984 392 T CA -0.468 61.670 62.100 0.063 0.000 0.972 392 T CB 0.691 69.577 68.868 0.030 0.000 1.039 392 T HN 0.558 nan 8.240 nan 0.000 0.530 393 N N 0.363 119.084 118.700 0.035 0.000 2.104 393 N HA -0.063 4.678 4.740 0.002 0.000 0.190 393 N C 2.267 177.791 175.510 0.023 0.000 1.024 393 N CA 1.288 54.354 53.050 0.027 0.000 0.853 393 N CB -0.438 38.062 38.487 0.022 0.000 1.008 393 N HN 0.764 nan 8.380 nan 0.000 0.424 394 A N 0.540 123.373 122.820 0.021 0.000 1.908 394 A HA -0.080 4.241 4.320 0.002 0.000 0.218 394 A C 2.337 179.933 177.584 0.020 0.000 1.181 394 A CA 1.933 53.982 52.037 0.021 0.000 0.627 394 A CB -1.306 17.705 19.000 0.018 0.000 0.818 394 A HN 0.415 nan 8.150 nan 0.000 0.445 395 G N -1.116 107.697 108.800 0.021 0.000 2.404 395 G HA2 -0.159 3.802 3.960 0.002 0.000 0.215 395 G HA3 -0.159 3.802 3.960 0.002 0.000 0.215 395 G C 1.515 176.405 174.900 -0.016 0.000 1.174 395 G CA 1.141 46.244 45.100 0.006 0.000 0.780 395 G HN 0.326 nan 8.290 nan 0.000 0.537 396 M N 0.014 119.620 119.600 0.011 0.000 2.108 396 M HA -0.005 4.476 4.480 0.002 0.000 0.261 396 M C 2.478 178.774 176.300 -0.008 0.000 1.066 396 M CA 0.889 56.189 55.300 0.000 0.000 1.107 396 M CB -1.122 31.488 32.600 0.017 0.000 1.356 396 M HN 0.300 nan 8.290 nan 0.000 0.406 397 L N 0.595 121.821 121.223 0.005 0.000 1.976 397 L HA -0.155 4.186 4.340 0.002 0.000 0.209 397 L C 2.353 179.234 176.870 0.019 0.000 1.071 397 L CA 2.087 56.935 54.840 0.013 0.000 0.746 397 L CB -0.913 41.158 42.059 0.020 0.000 0.890 397 L HN 0.369 nan 8.230 nan 0.000 0.432 398 E N -1.083 119.130 120.200 0.022 0.000 2.077 398 E HA -0.174 4.176 4.350 0.002 0.000 0.193 398 E C 1.980 178.611 176.600 0.051 0.000 0.989 398 E CA 1.580 58.018 56.400 0.063 0.000 0.800 398 E CB 0.036 29.793 29.700 0.095 0.000 0.746 398 E HN 0.424 nan 8.360 nan 0.000 0.452 399 V N 0.951 120.803 119.914 -0.104 0.000 2.407 399 V HA -0.206 3.915 4.120 0.002 0.000 0.245 399 V C 2.515 178.544 176.094 -0.108 0.000 1.041 399 V CA 1.680 63.822 62.300 -0.264 0.000 1.040 399 V CB -0.325 31.216 31.823 -0.470 0.000 0.671 399 V HN 0.405 nan 8.190 nan 0.000 0.455 400 S N 1.398 117.070 115.700 -0.047 0.000 2.402 400 S HA -0.110 4.361 4.470 0.002 0.000 0.229 400 S C 2.041 176.670 174.600 0.049 0.000 1.021 400 S CA 1.255 59.459 58.200 0.006 0.000 0.974 400 S CB -0.472 62.728 63.200 -0.001 0.000 0.800 400 S HN 0.544 nan 8.310 nan 0.000 0.484 401 A N 0.296 123.151 122.820 0.058 0.000 2.015 401 A HA 0.126 4.447 4.320 0.002 0.000 0.219 401 A C 1.424 179.067 177.584 0.099 0.000 1.163 401 A CA 0.777 52.855 52.037 0.069 0.000 0.646 401 A CB -1.145 17.894 19.000 0.064 0.000 0.806 401 A HN 0.708 nan 8.150 nan 0.000 0.448 402 C N 0.921 120.324 119.300 0.171 0.000 2.499 402 C HA 0.444 4.905 4.460 0.002 0.000 0.386 402 C C 1.237 176.341 174.990 0.190 0.000 1.293 402 C CA -0.567 58.581 59.018 0.217 0.000 1.884 402 C CB -0.423 27.588 27.740 0.453 0.000 2.509 402 C HN 0.522 nan 8.230 nan 0.000 0.566 403 K N 3.182 123.608 120.400 0.042 0.000 2.374 403 K HA 0.093 4.414 4.320 0.002 0.000 0.196 403 K C 0.390 176.923 176.600 -0.110 0.000 1.023 403 K CA 0.071 56.350 56.287 -0.013 0.000 1.103 403 K CB 0.267 32.754 32.500 -0.023 0.000 0.848 403 K HN 0.649 nan 8.250 nan 0.000 0.528 404 K N 1.773 122.037 120.400 -0.225 0.000 2.270 404 K HA 0.128 4.449 4.320 0.002 0.000 0.276 404 K C -0.106 176.302 176.600 -0.320 0.000 1.023 404 K CA -0.003 56.064 56.287 -0.368 0.000 0.955 404 K CB 0.642 32.649 32.500 -0.820 0.000 0.975 404 K HN -0.256 nan 8.250 nan 0.000 0.471 405 K N 1.531 121.817 120.400 -0.190 0.000 2.221 405 K HA 0.517 4.838 4.320 0.002 0.000 0.258 405 K C 0.316 176.874 176.600 -0.070 0.000 0.944 405 K CA -0.446 55.749 56.287 -0.153 0.000 0.823 405 K CB 1.625 34.051 32.500 -0.122 0.000 1.113 405 K HN 0.882 nan 8.250 nan 0.000 0.431 406 G N 1.702 110.427 108.800 -0.125 0.000 2.587 406 G HA2 -0.209 3.752 3.960 0.002 0.000 0.212 406 G HA3 -0.209 3.752 3.960 0.002 0.000 0.212 406 G C -1.102 173.707 174.900 -0.152 0.000 1.327 406 G CA -0.930 44.085 45.100 -0.142 0.000 0.898 406 G HN 0.306 nan 8.290 nan 0.000 0.551 407 F N 3.088 123.075 119.950 0.061 0.000 2.385 407 F HA 0.742 5.270 4.527 0.001 0.000 0.336 407 F C 1.220 177.049 175.800 0.047 0.000 1.100 407 F CA 0.842 58.830 58.000 -0.019 0.000 1.116 407 F CB 1.472 40.481 39.000 0.015 0.000 1.166 407 F HN 0.841 nan 8.300 nan 0.000 0.511 408 H N 0.217 119.422 119.070 0.225 0.000 2.987 408 H HA 0.343 4.900 4.556 0.002 0.000 0.316 408 H C -3.298 172.079 175.328 0.081 0.000 1.380 408 H CA -2.184 53.926 56.048 0.103 0.000 1.160 408 H CB 0.550 30.320 29.762 0.013 0.000 1.865 408 H HN 0.207 nan 8.280 nan 0.000 0.521 409 P HA 0.260 nan 4.420 nan 0.000 0.271 409 P C -0.447 176.842 177.300 -0.018 0.000 1.216 409 P CA 0.260 63.403 63.100 0.072 0.000 0.776 409 P CB 0.649 32.382 31.700 0.054 0.000 0.881 410 H N -0.729 118.430 119.070 0.148 0.000 2.865 410 H HA 0.308 4.865 4.556 0.001 0.000 0.372 410 H C 0.197 175.585 175.328 0.099 0.000 1.173 410 H CA -0.319 55.815 56.048 0.143 0.000 1.147 410 H CB 1.971 31.822 29.762 0.148 0.000 1.805 410 H HN 0.387 nan 8.280 nan 0.000 0.553 411 T N -1.062 113.634 114.554 0.237 0.000 2.766 411 T HA 0.221 4.572 4.350 0.002 0.000 0.295 411 T C 0.801 175.565 174.700 0.108 0.000 1.024 411 T CA -0.338 61.841 62.100 0.133 0.000 1.018 411 T CB 1.210 70.140 68.868 0.103 0.000 1.002 411 T HN 0.598 nan 8.240 nan 0.000 0.532 412 K N -0.690 119.745 120.400 0.058 0.000 2.491 412 K HA 0.274 4.595 4.320 0.002 0.000 0.211 412 K C -0.073 176.521 176.600 -0.010 0.000 1.210 412 K CA -0.085 56.216 56.287 0.023 0.000 1.003 412 K CB 0.789 33.297 32.500 0.013 0.000 1.009 412 K HN 0.631 nan 8.250 nan 0.000 0.577 413 E N 2.161 122.362 120.200 0.002 0.000 2.302 413 E HA 0.199 4.550 4.350 0.002 0.000 0.263 413 E C -2.559 174.041 176.600 0.001 0.000 0.897 413 E CA -1.987 54.408 56.400 -0.009 0.000 0.809 413 E CB 0.915 30.609 29.700 -0.010 0.000 1.270 413 E HN -0.061 nan 8.360 nan 0.000 0.410 414 P HA 0.306 nan 4.420 nan 0.000 0.274 414 P C -0.584 176.696 177.300 -0.033 0.000 1.246 414 P CA -0.512 62.576 63.100 -0.021 0.000 0.795 414 P CB 0.744 32.436 31.700 -0.014 0.000 1.006 415 R N 0.217 120.673 120.500 -0.073 0.000 2.643 415 R HA 0.146 4.487 4.340 0.002 0.000 0.270 415 R C 1.354 177.604 176.300 -0.083 0.000 1.061 415 R CA -0.275 55.747 56.100 -0.129 0.000 1.107 415 R CB 0.238 30.382 30.300 -0.261 0.000 0.999 415 R HN 0.462 nan 8.270 nan 0.000 0.460 416 L N 2.363 123.560 121.223 -0.043 0.000 2.446 416 L HA 0.163 4.504 4.340 0.002 0.000 0.219 416 L C 0.294 177.247 176.870 0.139 0.000 1.116 416 L CA 0.404 55.277 54.840 0.055 0.000 0.844 416 L CB -0.051 42.063 42.059 0.091 0.000 0.970 416 L HN 0.529 nan 8.230 nan 0.000 0.457 417 F N -1.410 118.509 119.950 -0.053 0.000 2.613 417 F HA 0.729 5.256 4.527 0.001 0.000 0.314 417 F C -0.380 175.380 175.800 -0.066 0.000 1.075 417 F CA -0.954 57.007 58.000 -0.066 0.000 0.945 417 F CB 1.429 40.338 39.000 -0.152 0.000 1.310 417 F HN -0.172 nan 8.300 nan 0.000 0.467 418 S N 2.043 117.777 115.700 0.057 0.000 2.625 418 S HA 0.716 5.187 4.470 0.002 0.000 0.271 418 S C -0.502 174.285 174.600 0.311 0.000 1.161 418 S CA -0.867 57.352 58.200 0.031 0.000 0.820 418 S CB 1.168 64.375 63.200 0.012 0.000 1.137 418 S HN 1.239 nan 8.310 nan 0.000 0.470 419 I N -0.759 119.966 120.570 0.260 0.000 3.246 419 I HA 0.495 4.666 4.170 0.002 0.000 0.280 419 I C -0.088 176.118 176.117 0.148 0.000 1.239 419 I CA -0.742 60.684 61.300 0.210 0.000 1.336 419 I CB -0.176 37.891 38.000 0.112 0.000 1.383 419 I HN 0.629 nan 8.210 nan 0.000 0.617 420 C N 2.711 122.068 119.300 0.097 0.000 2.397 420 C HA 0.455 4.916 4.460 0.002 0.000 0.343 420 C C 1.064 176.113 174.990 0.099 0.000 1.188 420 C CA -0.588 58.513 59.018 0.138 0.000 1.992 420 C CB 1.450 29.227 27.740 0.062 0.000 2.358 420 C HN 0.988 nan 8.230 nan 0.000 0.518 421 K N 0.634 121.137 120.400 0.172 0.000 2.438 421 K HA 0.114 4.435 4.320 0.002 0.000 0.206 421 K C 0.826 177.512 176.600 0.143 0.000 1.081 421 K CA 0.113 56.467 56.287 0.111 0.000 1.053 421 K CB -0.031 32.522 32.500 0.088 0.000 0.908 421 K HN 0.923 nan 8.250 nan 0.000 0.556 422 H N -0.257 118.831 119.070 0.031 0.000 2.652 422 H HA 0.242 4.799 4.556 0.002 0.000 0.274 422 H C -0.445 174.907 175.328 0.041 0.000 1.021 422 H CA -0.328 55.745 56.048 0.042 0.000 1.187 422 H CB -0.031 29.768 29.762 0.063 0.000 1.505 422 H HN -0.077 nan 8.280 nan 0.000 0.530 423 V N 2.575 122.299 119.914 -0.317 0.000 2.394 423 V HA 0.176 4.297 4.120 0.002 0.000 0.282 423 V C -0.329 175.691 176.094 -0.124 0.000 1.031 423 V CA -0.835 61.293 62.300 -0.286 0.000 0.881 423 V CB 1.721 33.351 31.823 -0.322 0.000 0.982 423 V HN 0.205 nan 8.190 nan 0.000 0.451 424 L N 7.025 128.200 121.223 -0.080 0.000 2.298 424 L HA 0.583 4.924 4.340 0.002 0.000 0.284 424 L C -0.297 176.544 176.870 -0.048 0.000 1.013 424 L CA 0.086 54.899 54.840 -0.046 0.000 0.824 424 L CB 1.602 43.651 42.059 -0.018 0.000 1.221 424 L HN 0.431 nan 8.230 nan 0.000 0.418 425 V N 5.752 125.635 119.914 -0.051 0.000 2.461 425 V HA 0.436 4.557 4.120 0.002 0.000 0.275 425 V C 0.158 176.232 176.094 -0.034 0.000 1.047 425 V CA -0.408 61.863 62.300 -0.049 0.000 0.955 425 V CB 0.932 32.721 31.823 -0.058 0.000 0.988 425 V HN 0.719 nan 8.190 nan 0.000 0.471 426 K N 2.401 122.784 120.400 -0.028 0.000 2.464 426 K HA 0.337 4.658 4.320 0.002 0.000 0.253 426 K C -1.169 175.419 176.600 -0.020 0.000 0.933 426 K CA -0.881 55.394 56.287 -0.020 0.000 0.801 426 K CB 2.200 34.693 32.500 -0.011 0.000 1.271 426 K HN 0.549 nan 8.250 nan 0.000 0.430 427 D N 4.065 124.453 120.400 -0.020 0.000 2.558 427 D HA 0.185 4.826 4.640 0.002 0.000 0.221 427 D C -0.425 175.865 176.300 -0.015 0.000 1.143 427 D CA -0.159 53.829 54.000 -0.021 0.000 1.010 427 D CB -0.392 40.394 40.800 -0.024 0.000 1.068 427 D HN 0.418 nan 8.370 nan 0.000 0.511 428 I N -1.665 118.898 120.570 -0.013 0.000 3.206 428 I HA 0.564 4.735 4.170 0.002 0.000 0.313 428 I C -0.041 176.069 176.117 -0.013 0.000 1.103 428 I CA -1.596 59.698 61.300 -0.009 0.000 0.985 428 I CB 1.389 39.389 38.000 -0.001 0.000 1.240 428 I HN -0.248 nan 8.210 nan 0.000 0.464 429 K N 2.194 122.585 120.400 -0.014 0.000 2.448 429 K HA 0.349 4.670 4.320 0.002 0.000 0.278 429 K C -1.056 175.516 176.600 -0.047 0.000 1.009 429 K CA 0.227 56.497 56.287 -0.028 0.000 0.995 429 K CB 0.484 32.967 32.500 -0.029 0.000 0.917 429 K HN 0.633 nan 8.250 nan 0.000 0.481 430 I N 5.731 126.268 120.570 -0.056 0.000 2.498 430 I HA 0.429 4.600 4.170 0.002 0.000 0.290 430 I C -1.462 174.587 176.117 -0.114 0.000 1.032 430 I CA -0.766 60.486 61.300 -0.080 0.000 1.073 430 I CB 1.279 39.260 38.000 -0.031 0.000 1.251 430 I HN 0.666 nan 8.210 nan 0.000 0.426 431 I N 7.444 127.876 120.570 -0.230 0.000 2.404 431 I HA 0.426 4.597 4.170 0.002 0.000 0.293 431 I C -0.661 175.392 176.117 -0.107 0.000 0.992 431 I CA -1.037 60.123 61.300 -0.232 0.000 1.149 431 I CB 1.847 39.551 38.000 -0.492 0.000 1.315 431 I HN 0.196 nan 8.210 nan 0.000 0.446 432 V N 7.355 127.253 119.914 -0.027 0.000 2.432 432 V HA 0.315 4.436 4.120 0.002 0.000 0.275 432 V C 0.063 176.176 176.094 0.032 0.000 1.043 432 V CA -0.441 61.874 62.300 0.025 0.000 0.925 432 V CB 1.319 33.155 31.823 0.023 0.000 0.985 432 V HN 0.445 nan 8.190 nan 0.000 0.466 433 L N 4.531 125.782 121.223 0.046 0.000 2.313 433 L HA 0.481 4.822 4.340 0.002 0.000 0.273 433 L C -0.497 176.390 176.870 0.028 0.000 1.028 433 L CA -0.327 54.524 54.840 0.017 0.000 0.871 433 L CB 1.222 43.252 42.059 -0.049 0.000 1.242 433 L HN 0.538 nan 8.230 nan 0.000 0.434 434 D N 3.603 124.017 120.400 0.024 0.000 2.412 434 D HA 0.253 4.894 4.640 0.002 0.000 0.224 434 D C 0.706 177.016 176.300 0.017 0.000 1.093 434 D CA -0.271 53.742 54.000 0.021 0.000 0.850 434 D CB 1.462 42.263 40.800 0.002 0.000 1.046 434 D HN 0.395 nan 8.370 nan 0.000 0.507 435 L N 2.704 123.939 121.223 0.019 0.000 2.558 435 L HA 0.181 4.522 4.340 0.002 0.000 0.225 435 L C 1.573 178.449 176.870 0.010 0.000 1.128 435 L CA 0.019 54.868 54.840 0.015 0.000 0.868 435 L CB -0.119 41.947 42.059 0.012 0.000 1.006 435 L HN 0.120 nan 8.230 nan 0.000 0.454 436 R N 0.000 120.504 120.500 0.007 0.000 2.786 436 R HA 0.000 4.341 4.340 0.002 0.000 0.208 436 R CA 0.000 56.101 56.100 0.002 0.000 0.921 436 R CB 0.000 30.298 30.300 -0.004 0.000 0.687 436 R HN 0.000 nan 8.270 nan 0.000 0.535