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 2ii4_1_C DATA FIRST_RESID 188 DATA SEQUENCE GKDRTEPVKG FHKAMVKTMS AALKIPHFGY CDEVDLTELV KLREELKPIA DATA SEQUENCE FARGIKLSFM PFFLKAASLG LLQFPILNAS VDENCQNITY KASHNIGIAM DATA SEQUENCE DTEQGLIVPN VKNVQIRSIF EIATELNRLQ KLGSAGQLST NDLIGGTFTL DATA SEQUENCE SNIGSIGGTY AKPVILPPEV AIGALGTIKA LPRFNEKGEV CKAQIMNVSW DATA SEQUENCE SADHRIIDGA TVSRFSNLWK SYLENPAFML LDLK 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 188 G HA2 0.000 nan 3.960 nan 0.000 0.244 188 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 188 G C 0.000 174.898 174.900 -0.003 0.000 0.946 188 G CA 0.000 45.098 45.100 -0.003 0.000 0.502 189 K N 1.695 122.093 120.400 -0.004 0.000 2.376 189 K HA 0.405 4.724 4.320 -0.000 0.000 0.257 189 K C -1.311 175.286 176.600 -0.005 0.000 0.939 189 K CA -0.596 55.689 56.287 -0.004 0.000 0.809 189 K CB 2.017 34.515 32.500 -0.003 0.000 1.121 189 K HN 0.005 nan 8.250 nan 0.000 0.425 190 D N 1.898 122.295 120.400 -0.005 0.000 2.382 190 D HA 0.119 4.758 4.640 -0.000 0.000 0.245 190 D C 0.086 176.382 176.300 -0.006 0.000 1.120 190 D CA 0.398 54.395 54.000 -0.006 0.000 0.890 190 D CB 0.792 41.588 40.800 -0.006 0.000 1.201 190 D HN 0.216 nan 8.370 nan 0.000 0.433 191 R N 0.833 121.329 120.500 -0.007 0.000 2.532 191 R HA 0.384 4.723 4.340 -0.000 0.000 0.297 191 R C -1.080 175.215 176.300 -0.008 0.000 0.984 191 R CA -0.535 55.561 56.100 -0.007 0.000 0.884 191 R CB 1.156 31.452 30.300 -0.007 0.000 1.182 191 R HN 0.322 nan 8.270 nan 0.000 0.442 192 T N 2.664 117.214 114.554 -0.007 0.000 2.907 192 T HA 0.354 4.703 4.350 -0.000 0.000 0.284 192 T C -0.810 173.886 174.700 -0.007 0.000 1.004 192 T CA -0.484 61.612 62.100 -0.008 0.000 1.063 192 T CB 1.454 70.319 68.868 -0.006 0.000 0.992 192 T HN 0.571 nan 8.240 nan 0.000 0.483 193 E N 1.846 122.040 120.200 -0.009 0.000 2.335 193 E HA 0.402 4.752 4.350 -0.000 0.000 0.280 193 E C -2.479 174.118 176.600 -0.005 0.000 0.918 193 E CA -1.580 54.816 56.400 -0.006 0.000 0.765 193 E CB 1.334 31.027 29.700 -0.012 0.000 1.218 193 E HN 0.415 nan 8.360 nan 0.000 0.425 194 P HA 0.129 nan 4.420 nan 0.000 0.271 194 P C -0.653 176.654 177.300 0.011 0.000 1.218 194 P CA -0.419 62.685 63.100 0.007 0.000 0.780 194 P CB 0.703 32.411 31.700 0.014 0.000 0.901 195 V N 3.374 123.295 119.914 0.012 0.000 2.455 195 V HA 0.228 4.348 4.120 -0.000 0.000 0.273 195 V C 0.793 176.921 176.094 0.057 0.000 1.045 195 V CA 0.193 62.510 62.300 0.029 0.000 0.976 195 V CB 0.038 31.874 31.823 0.023 0.000 0.993 195 V HN 0.545 nan 8.190 nan 0.000 0.475 196 K N 2.410 122.870 120.400 0.100 0.000 2.466 196 K HA 0.702 5.022 4.320 -0.000 0.000 0.260 196 K C 0.597 177.271 176.600 0.124 0.000 1.011 196 K CA -0.019 56.322 56.287 0.090 0.000 0.871 196 K CB 2.411 34.953 32.500 0.070 0.000 1.404 196 K HN 0.831 nan 8.250 nan 0.000 0.450 197 G N 1.315 110.166 108.800 0.084 0.000 2.574 197 G HA2 -0.379 3.581 3.960 -0.000 0.000 0.286 197 G HA3 -0.379 3.581 3.960 -0.000 0.000 0.286 197 G C 0.562 175.515 174.900 0.088 0.000 1.212 197 G CA 0.744 45.898 45.100 0.090 0.000 0.979 197 G HN 0.538 nan 8.290 nan 0.000 0.557 198 F N 1.426 121.306 119.950 -0.117 0.000 2.216 198 F HA -0.002 4.525 4.527 -0.000 0.000 0.300 198 F C 2.748 178.454 175.800 -0.158 0.000 1.085 198 F CA 2.537 60.439 58.000 -0.162 0.000 1.326 198 F CB -0.605 38.263 39.000 -0.221 0.000 1.027 198 F HN 0.549 nan 8.300 nan 0.000 0.497 199 H N -0.607 118.512 119.070 0.082 0.000 2.466 199 H HA -0.183 4.373 4.556 -0.000 0.000 0.297 199 H C 2.124 177.406 175.328 -0.077 0.000 1.113 199 H CA 1.567 57.615 56.048 -0.000 0.000 1.273 199 H CB -0.150 29.631 29.762 0.031 0.000 1.371 199 H HN 0.184 nan 8.280 nan 0.000 0.528 200 K N 0.175 120.571 120.400 -0.007 0.000 2.280 200 K HA -0.062 4.257 4.320 -0.000 0.000 0.202 200 K C 2.293 178.814 176.600 -0.131 0.000 1.047 200 K CA 0.684 56.940 56.287 -0.051 0.000 0.942 200 K CB 0.032 32.508 32.500 -0.040 0.000 0.739 200 K HN 0.323 nan 8.250 nan 0.000 0.457 201 A N 1.115 123.767 122.820 -0.280 0.000 1.929 201 A HA -0.117 4.202 4.320 -0.000 0.000 0.216 201 A C 2.046 179.502 177.584 -0.214 0.000 1.176 201 A CA 0.991 52.817 52.037 -0.352 0.000 0.628 201 A CB -0.276 18.265 19.000 -0.765 0.000 0.816 201 A HN 0.225 nan 8.150 nan 0.000 0.444 202 M N -0.195 119.308 119.600 -0.162 0.000 2.175 202 M HA -0.104 4.376 4.480 -0.000 0.000 0.264 202 M C 1.841 178.115 176.300 -0.043 0.000 1.063 202 M CA 1.405 56.665 55.300 -0.067 0.000 1.119 202 M CB -0.156 32.444 32.600 -0.001 0.000 1.377 202 M HN 0.231 nan 8.290 nan 0.000 0.415 203 V N 0.546 120.436 119.914 -0.039 0.000 2.332 203 V HA -0.282 3.837 4.120 -0.000 0.000 0.248 203 V C 2.386 178.460 176.094 -0.034 0.000 1.055 203 V CA 1.523 63.806 62.300 -0.028 0.000 1.038 203 V CB -0.899 30.911 31.823 -0.022 0.000 0.651 203 V HN 0.380 nan 8.190 nan 0.000 0.450 204 K N -0.010 120.359 120.400 -0.051 0.000 2.062 204 K HA -0.046 4.274 4.320 -0.000 0.000 0.205 204 K C 2.311 178.890 176.600 -0.035 0.000 1.051 204 K CA 1.552 57.812 56.287 -0.045 0.000 0.941 204 K CB -0.966 31.498 32.500 -0.060 0.000 0.719 204 K HN 0.480 nan 8.250 nan 0.000 0.440 205 T N 1.700 116.228 114.554 -0.043 0.000 2.674 205 T HA -0.082 4.268 4.350 -0.000 0.000 0.265 205 T C 1.770 176.465 174.700 -0.009 0.000 1.039 205 T CA 1.267 63.351 62.100 -0.026 0.000 1.150 205 T CB -0.032 68.816 68.868 -0.033 0.000 0.864 205 T HN 0.044 nan 8.240 nan 0.000 0.427 206 M N 1.356 120.949 119.600 -0.012 0.000 2.374 206 M HA 0.064 4.544 4.480 -0.000 0.000 0.264 206 M C 2.431 178.729 176.300 -0.003 0.000 1.067 206 M CA 0.948 56.245 55.300 -0.005 0.000 1.103 206 M CB -1.328 31.264 32.600 -0.013 0.000 1.402 206 M HN 0.124 nan 8.290 nan 0.000 0.444 207 S N 0.991 116.686 115.700 -0.007 0.000 2.387 207 S HA 0.049 4.519 4.470 -0.000 0.000 0.226 207 S C 2.131 176.734 174.600 0.005 0.000 1.026 207 S CA 1.063 59.260 58.200 -0.004 0.000 0.972 207 S CB -0.229 62.965 63.200 -0.009 0.000 0.814 207 S HN 0.564 nan 8.310 nan 0.000 0.477 208 A N 1.610 124.433 122.820 0.005 0.000 1.972 208 A HA 0.170 4.489 4.320 -0.000 0.000 0.219 208 A C 2.273 179.876 177.584 0.030 0.000 1.169 208 A CA 1.492 53.535 52.037 0.010 0.000 0.635 208 A CB -0.902 18.100 19.000 0.003 0.000 0.810 208 A HN 0.498 nan 8.150 nan 0.000 0.446 209 A N -0.308 122.539 122.820 0.046 0.000 2.125 209 A HA 0.029 4.349 4.320 -0.000 0.000 0.219 209 A C 1.985 179.647 177.584 0.131 0.000 1.156 209 A CA 1.192 53.292 52.037 0.105 0.000 0.671 209 A CB -0.564 18.505 19.000 0.116 0.000 0.794 209 A HN 0.494 nan 8.150 nan 0.000 0.459 210 L N -1.113 120.148 121.223 0.064 0.000 2.201 210 L HA -0.144 4.196 4.340 -0.000 0.000 0.212 210 L C 2.161 179.071 176.870 0.066 0.000 1.105 210 L CA 1.251 56.124 54.840 0.054 0.000 0.775 210 L CB -0.305 41.767 42.059 0.021 0.000 0.913 210 L HN 0.302 nan 8.230 nan 0.000 0.440 211 K N 0.055 120.487 120.400 0.054 0.000 2.504 211 K HA 0.075 4.395 4.320 -0.000 0.000 0.195 211 K C 0.309 176.939 176.600 0.050 0.000 1.036 211 K CA 0.442 56.754 56.287 0.041 0.000 0.984 211 K CB 0.088 32.601 32.500 0.022 0.000 0.788 211 K HN 0.250 nan 8.250 nan 0.000 0.488 212 I N 2.338 122.959 120.570 0.085 0.000 2.321 212 I HA 0.172 4.342 4.170 -0.000 0.000 0.291 212 I C -2.429 173.769 176.117 0.134 0.000 0.998 212 I CA -2.762 58.565 61.300 0.045 0.000 1.227 212 I CB 1.420 39.378 38.000 -0.070 0.000 1.368 212 I HN -0.252 nan 8.210 nan 0.000 0.466 213 P HA 0.210 nan 4.420 nan 0.000 0.281 213 P C -1.095 176.326 177.300 0.203 0.000 1.286 213 P CA -0.232 62.969 63.100 0.168 0.000 0.772 213 P CB 0.203 31.972 31.700 0.115 0.000 0.862 214 H N 2.377 121.513 119.070 0.111 0.000 2.580 214 H HA 0.363 4.918 4.556 -0.000 0.000 0.322 214 H C -0.502 174.934 175.328 0.180 0.000 1.082 214 H CA -0.023 56.093 56.048 0.113 0.000 1.383 214 H CB 0.113 29.904 29.762 0.050 0.000 1.450 214 H HN 0.312 nan 8.280 nan 0.000 0.505 215 F N 2.505 122.508 119.950 0.089 0.000 2.404 215 F HA 0.584 5.111 4.527 -0.000 0.000 0.339 215 F C 0.342 176.173 175.800 0.051 0.000 1.105 215 F CA -0.732 57.274 58.000 0.009 0.000 1.087 215 F CB 1.078 39.886 39.000 -0.319 0.000 1.143 215 F HN 0.526 nan 8.300 nan 0.000 0.491 216 G N 4.664 113.073 108.800 -0.651 0.000 2.452 216 G HA2 0.491 4.450 3.960 -0.000 0.000 0.324 216 G HA3 0.491 4.450 3.960 -0.000 0.000 0.324 216 G C -2.543 171.872 174.900 -0.809 0.000 1.214 216 G CA -0.605 44.167 45.100 -0.547 0.000 0.947 216 G HN 0.782 nan 8.290 nan 0.000 0.478 217 Y N 0.651 120.642 120.300 -0.514 0.000 2.441 217 Y HA 0.564 5.113 4.550 -0.000 0.000 0.334 217 Y C -0.744 175.136 175.900 -0.033 0.000 1.061 217 Y CA -1.035 56.897 58.100 -0.281 0.000 1.032 217 Y CB 1.528 39.913 38.460 -0.125 0.000 1.266 217 Y HN 0.703 nan 8.280 nan 0.000 0.441 218 C N 4.186 123.079 119.300 -0.678 0.000 2.889 218 C HA 0.780 5.239 4.460 -0.000 0.000 0.307 218 C C -1.095 173.629 174.990 -0.443 0.000 1.251 218 C CA -0.490 58.281 59.018 -0.412 0.000 1.593 218 C CB 1.945 29.418 27.740 -0.445 0.000 2.104 218 C HN 0.910 nan 8.230 nan 0.000 0.476 219 D N -0.235 120.145 120.400 -0.034 0.000 2.639 219 D HA 0.429 5.068 4.640 -0.000 0.000 0.271 219 D C -1.532 174.859 176.300 0.151 0.000 1.254 219 D CA -0.283 53.743 54.000 0.043 0.000 0.810 219 D CB 1.713 42.567 40.800 0.090 0.000 1.351 219 D HN 0.788 nan 8.370 nan 0.000 0.427 220 E N 0.032 120.296 120.200 0.107 0.000 2.212 220 E HA 0.656 5.005 4.350 -0.000 0.000 0.268 220 E C -1.326 175.299 176.600 0.042 0.000 0.902 220 E CA -0.842 55.581 56.400 0.039 0.000 0.779 220 E CB 1.975 31.685 29.700 0.016 0.000 1.172 220 E HN 0.069 nan 8.360 nan 0.000 0.409 221 V N 2.380 122.298 119.914 0.007 0.000 2.588 221 V HA 0.190 4.310 4.120 -0.000 0.000 0.304 221 V C -0.673 175.394 176.094 -0.045 0.000 1.042 221 V CA -0.968 61.333 62.300 0.001 0.000 0.877 221 V CB 1.714 33.535 31.823 -0.004 0.000 0.996 221 V HN 0.828 nan 8.190 nan 0.000 0.425 222 D N 4.210 124.584 120.400 -0.044 0.000 2.352 222 D HA 0.228 4.868 4.640 -0.000 0.000 0.245 222 D C 0.424 176.682 176.300 -0.070 0.000 1.224 222 D CA 0.086 54.053 54.000 -0.055 0.000 0.879 222 D CB 1.190 41.965 40.800 -0.042 0.000 1.057 222 D HN 0.502 nan 8.370 nan 0.000 0.491 223 L N 3.328 124.503 121.223 -0.080 0.000 2.700 223 L HA 0.025 4.365 4.340 -0.000 0.000 0.234 223 L C 1.934 178.766 176.870 -0.063 0.000 1.156 223 L CA -0.058 54.733 54.840 -0.082 0.000 0.946 223 L CB 0.096 42.085 42.059 -0.117 0.000 1.216 223 L HN 0.335 nan 8.230 nan 0.000 0.493 224 T N -0.547 113.973 114.554 -0.057 0.000 2.624 224 T HA -0.236 4.114 4.350 -0.000 0.000 0.268 224 T C 1.717 176.393 174.700 -0.040 0.000 1.041 224 T CA 1.466 63.541 62.100 -0.043 0.000 1.159 224 T CB -0.013 68.831 68.868 -0.039 0.000 0.863 224 T HN 0.333 nan 8.240 nan 0.000 0.434 225 E N 0.491 120.658 120.200 -0.056 0.000 2.106 225 E HA 0.000 4.350 4.350 -0.000 0.000 0.192 225 E C 2.291 178.844 176.600 -0.077 0.000 0.984 225 E CA 0.521 56.884 56.400 -0.063 0.000 0.806 225 E CB -0.283 29.372 29.700 -0.076 0.000 0.750 225 E HN 0.392 nan 8.360 nan 0.000 0.458 226 L N 0.808 121.979 121.223 -0.087 0.000 2.056 226 L HA -0.151 4.189 4.340 -0.000 0.000 0.207 226 L C 2.411 179.259 176.870 -0.036 0.000 1.078 226 L CA 0.840 55.599 54.840 -0.136 0.000 0.749 226 L CB -0.206 41.787 42.059 -0.110 0.000 0.901 226 L HN 0.010 nan 8.230 nan 0.000 0.433 227 V N 0.258 120.228 119.914 0.092 0.000 2.287 227 V HA -0.363 3.757 4.120 -0.000 0.000 0.248 227 V C 2.568 178.679 176.094 0.030 0.000 1.053 227 V CA 2.180 64.582 62.300 0.169 0.000 1.027 227 V CB -0.708 31.195 31.823 0.132 0.000 0.646 227 V HN 0.484 nan 8.190 nan 0.000 0.447 228 K N -0.159 120.235 120.400 -0.010 0.000 1.985 228 K HA -0.231 4.089 4.320 -0.000 0.000 0.210 228 K C 2.260 178.827 176.600 -0.055 0.000 1.047 228 K CA 1.989 58.259 56.287 -0.028 0.000 0.932 228 K CB -0.423 32.060 32.500 -0.028 0.000 0.716 228 K HN 0.291 nan 8.250 nan 0.000 0.439 229 L N 2.194 123.365 121.223 -0.087 0.000 2.010 229 L HA -0.267 4.072 4.340 -0.000 0.000 0.219 229 L C 2.476 179.272 176.870 -0.123 0.000 1.077 229 L CA 2.005 56.777 54.840 -0.112 0.000 0.773 229 L CB -0.839 41.115 42.059 -0.175 0.000 0.892 229 L HN 0.253 nan 8.230 nan 0.000 0.436 230 R N -0.974 119.398 120.500 -0.213 0.000 2.091 230 R HA -0.178 4.162 4.340 -0.000 0.000 0.238 230 R C 2.163 178.400 176.300 -0.105 0.000 1.136 230 R CA 1.503 57.483 56.100 -0.199 0.000 0.959 230 R CB -0.178 29.867 30.300 -0.426 0.000 0.856 230 R HN 0.454 nan 8.270 nan 0.000 0.437 231 E N 0.899 121.050 120.200 -0.082 0.000 2.049 231 E HA -0.231 4.119 4.350 -0.000 0.000 0.198 231 E C 1.852 178.432 176.600 -0.032 0.000 1.007 231 E CA 1.662 58.033 56.400 -0.048 0.000 0.809 231 E CB -0.225 29.457 29.700 -0.030 0.000 0.749 231 E HN 0.509 nan 8.360 nan 0.000 0.450 232 E N 0.229 120.412 120.200 -0.027 0.000 2.118 232 E HA -0.142 4.207 4.350 -0.000 0.000 0.195 232 E C 2.224 178.828 176.600 0.006 0.000 0.992 232 E CA 0.759 57.152 56.400 -0.012 0.000 0.804 232 E CB -0.103 29.591 29.700 -0.010 0.000 0.741 232 E HN 0.218 nan 8.360 nan 0.000 0.458 233 L N 0.559 121.795 121.223 0.022 0.000 2.341 233 L HA -0.053 4.287 4.340 -0.000 0.000 0.214 233 L C 2.283 179.186 176.870 0.054 0.000 1.115 233 L CA 0.432 55.305 54.840 0.055 0.000 0.820 233 L CB -0.209 41.924 42.059 0.123 0.000 0.944 233 L HN 0.037 nan 8.230 nan 0.000 0.452 234 K N 0.602 121.019 120.400 0.028 0.000 2.034 234 K HA -0.211 4.109 4.320 -0.000 0.000 0.214 234 K C -0.300 176.341 176.600 0.070 0.000 1.051 234 K CA 1.926 58.233 56.287 0.035 0.000 0.931 234 K CB -1.120 31.374 32.500 -0.010 0.000 0.715 234 K HN 0.285 nan 8.250 nan 0.000 0.446 235 P HA -0.110 nan 4.420 nan 0.000 0.217 235 P C 1.249 178.619 177.300 0.116 0.000 1.151 235 P CA 0.920 64.048 63.100 0.046 0.000 0.828 235 P CB 0.005 31.700 31.700 -0.008 0.000 0.788 236 I N -0.019 120.594 120.570 0.071 0.000 2.252 236 I HA -0.154 4.015 4.170 -0.000 0.000 0.245 236 I C 2.268 178.422 176.117 0.061 0.000 1.102 236 I CA 1.262 62.590 61.300 0.048 0.000 1.385 236 I CB -2.067 35.939 38.000 0.010 0.000 1.064 236 I HN -0.096 nan 8.210 nan 0.000 0.414 237 A N 0.873 123.754 122.820 0.101 0.000 1.858 237 A HA -0.264 4.056 4.320 -0.000 0.000 0.216 237 A C 2.362 180.048 177.584 0.170 0.000 1.190 237 A CA 1.533 53.660 52.037 0.151 0.000 0.617 237 A CB -1.281 17.817 19.000 0.163 0.000 0.827 237 A HN 0.378 nan 8.150 nan 0.000 0.443 238 F N 1.256 121.227 119.950 0.034 0.000 2.087 238 F HA -0.241 4.286 4.527 -0.000 0.000 0.299 238 F C 2.355 178.168 175.800 0.023 0.000 1.100 238 F CA 1.811 59.826 58.000 0.025 0.000 1.226 238 F CB -0.336 38.670 39.000 0.010 0.000 0.983 238 F HN 0.229 nan 8.300 nan 0.000 0.479 239 A N 0.144 123.071 122.820 0.179 0.000 2.172 239 A HA -0.074 4.246 4.320 -0.000 0.000 0.216 239 A C 1.933 179.487 177.584 -0.051 0.000 1.154 239 A CA 1.093 53.160 52.037 0.050 0.000 0.701 239 A CB -0.587 18.485 19.000 0.120 0.000 0.789 239 A HN 0.552 nan 8.150 nan 0.000 0.465 240 R N -1.382 119.099 120.500 -0.032 0.000 2.509 240 R HA 0.281 4.621 4.340 -0.000 0.000 0.300 240 R C 0.827 177.142 176.300 0.026 0.000 0.985 240 R CA 0.388 56.485 56.100 -0.006 0.000 1.092 240 R CB 0.186 30.474 30.300 -0.020 0.000 1.237 240 R HN 0.560 nan 8.270 nan 0.000 0.546 241 G N 1.881 110.624 108.800 -0.096 0.000 2.225 241 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.264 241 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.264 241 G C -0.150 174.715 174.900 -0.057 0.000 1.060 241 G CA -0.172 44.843 45.100 -0.141 0.000 0.833 241 G HN 0.190 nan 8.290 nan 0.000 0.498 242 I N -0.329 120.242 120.570 0.002 0.000 2.499 242 I HA 0.363 4.533 4.170 -0.000 0.000 0.288 242 I C 0.250 176.393 176.117 0.044 0.000 1.048 242 I CA -1.278 60.040 61.300 0.031 0.000 1.062 242 I CB 1.897 39.970 38.000 0.122 0.000 1.238 242 I HN 0.045 nan 8.210 nan 0.000 0.426 243 K N 4.714 125.123 120.400 0.016 0.000 2.297 243 K HA 0.390 4.709 4.320 -0.000 0.000 0.286 243 K C -0.753 175.848 176.600 0.002 0.000 1.053 243 K CA -0.509 55.797 56.287 0.030 0.000 0.940 243 K CB 1.158 33.672 32.500 0.023 0.000 1.019 243 K HN 0.261 nan 8.250 nan 0.000 0.475 244 L N 3.833 125.061 121.223 0.008 0.000 2.295 244 L HA 0.246 4.586 4.340 -0.000 0.000 0.281 244 L C -0.051 176.769 176.870 -0.084 0.000 1.018 244 L CA 0.130 54.954 54.840 -0.027 0.000 0.841 244 L CB 0.780 42.850 42.059 0.019 0.000 1.218 244 L HN 0.739 nan 8.230 nan 0.000 0.424 245 S N 3.364 119.003 115.700 -0.102 0.000 2.521 245 S HA 0.426 4.896 4.470 -0.000 0.000 0.278 245 S C 0.969 175.404 174.600 -0.276 0.000 1.140 245 S CA -0.254 57.846 58.200 -0.167 0.000 1.028 245 S CB 0.090 63.281 63.200 -0.015 0.000 1.203 245 S HN 0.401 nan 8.310 nan 0.000 0.491 246 F N 0.124 120.018 119.950 -0.094 0.000 2.473 246 F HA 0.219 4.746 4.527 -0.000 0.000 0.294 246 F C 2.535 177.957 175.800 -0.629 0.000 1.103 246 F CA 0.132 57.922 58.000 -0.350 0.000 1.442 246 F CB -0.424 38.175 39.000 -0.667 0.000 1.097 246 F HN 0.229 nan 8.300 nan 0.000 0.547 247 M N 0.334 119.822 119.600 -0.187 0.000 2.106 247 M HA -0.159 4.320 4.480 -0.000 0.000 0.259 247 M C -0.580 175.724 176.300 0.008 0.000 1.068 247 M CA 1.968 57.263 55.300 -0.009 0.000 1.100 247 M CB -2.291 30.397 32.600 0.145 0.000 1.351 247 M HN -0.023 nan 8.290 nan 0.000 0.404 248 P HA -0.130 nan 4.420 nan 0.000 0.215 248 P C 1.462 178.626 177.300 -0.226 0.000 1.153 248 P CA 1.268 64.248 63.100 -0.200 0.000 0.853 248 P CB -0.272 31.198 31.700 -0.384 0.000 0.788 249 F N -1.877 118.029 119.950 -0.072 0.000 2.095 249 F HA -0.170 4.357 4.527 -0.000 0.000 0.298 249 F C 2.127 178.035 175.800 0.180 0.000 1.104 249 F CA 1.235 59.229 58.000 -0.009 0.000 1.232 249 F CB -1.532 37.426 39.000 -0.070 0.000 0.987 249 F HN -0.153 nan 8.300 nan 0.000 0.475 250 F N -0.434 119.752 119.950 0.392 0.000 2.134 250 F HA -0.174 4.353 4.527 -0.000 0.000 0.299 250 F C 2.216 178.344 175.800 0.547 0.000 1.097 250 F CA 0.598 58.886 58.000 0.481 0.000 1.264 250 F CB -1.423 37.921 39.000 0.573 0.000 1.001 250 F HN -0.089 nan 8.300 nan 0.000 0.479 251 L N 0.143 121.697 121.223 0.551 0.000 1.994 251 L HA -0.175 4.165 4.340 -0.000 0.000 0.208 251 L C 2.441 179.522 176.870 0.352 0.000 1.071 251 L CA 1.688 56.783 54.840 0.425 0.000 0.745 251 L CB -1.536 40.682 42.059 0.265 0.000 0.892 251 L HN 0.060 nan 8.230 nan 0.000 0.431 252 K N 0.142 120.685 120.400 0.238 0.000 2.097 252 K HA -0.052 4.268 4.320 -0.000 0.000 0.205 252 K C 2.012 178.727 176.600 0.190 0.000 1.050 252 K CA 1.421 57.803 56.287 0.157 0.000 0.938 252 K CB -0.382 32.146 32.500 0.047 0.000 0.718 252 K HN 0.211 nan 8.250 nan 0.000 0.442 253 A N 0.419 123.399 122.820 0.266 0.000 1.933 253 A HA -0.053 4.267 4.320 -0.000 0.000 0.218 253 A C 2.349 180.293 177.584 0.599 0.000 1.175 253 A CA 2.003 54.226 52.037 0.311 0.000 0.628 253 A CB -0.952 18.131 19.000 0.138 0.000 0.814 253 A HN 0.403 nan 8.150 nan 0.000 0.444 254 A N -0.925 122.335 122.820 0.732 0.000 1.898 254 A HA -0.069 4.251 4.320 -0.000 0.000 0.216 254 A C 2.471 180.247 177.584 0.320 0.000 1.181 254 A CA 2.044 54.451 52.037 0.618 0.000 0.620 254 A CB -0.988 18.350 19.000 0.564 0.000 0.819 254 A HN 0.555 nan 8.150 nan 0.000 0.442 255 S N -0.381 115.472 115.700 0.255 0.000 2.359 255 S HA -0.142 4.328 4.470 -0.000 0.000 0.224 255 S C 1.956 176.721 174.600 0.276 0.000 1.035 255 S CA 1.616 59.951 58.200 0.224 0.000 1.018 255 S CB -0.512 62.892 63.200 0.340 0.000 0.876 255 S HN 0.476 nan 8.310 nan 0.000 0.448 256 L N 0.810 122.185 121.223 0.253 0.000 2.046 256 L HA -0.020 4.320 4.340 -0.000 0.000 0.208 256 L C 2.845 179.946 176.870 0.386 0.000 1.077 256 L CA 1.230 56.214 54.840 0.240 0.000 0.747 256 L CB -1.056 41.012 42.059 0.015 0.000 0.896 256 L HN 0.491 nan 8.230 nan 0.000 0.432 257 G N -0.091 108.998 108.800 0.483 0.000 2.440 257 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.218 257 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.218 257 G C 1.463 176.726 174.900 0.606 0.000 1.154 257 G CA 0.493 45.933 45.100 0.566 0.000 0.767 257 G HN 0.130 nan 8.290 nan 0.000 0.552 258 L N 0.325 121.744 121.223 0.327 0.000 2.217 258 L HA 0.212 4.552 4.340 -0.000 0.000 0.211 258 L C 2.829 179.770 176.870 0.118 0.000 1.107 258 L CA 0.682 55.519 54.840 -0.004 0.000 0.783 258 L CB -0.852 40.849 42.059 -0.598 0.000 0.919 258 L HN 0.207 nan 8.230 nan 0.000 0.442 259 L N -1.134 120.228 121.223 0.231 0.000 2.083 259 L HA -0.213 4.127 4.340 -0.000 0.000 0.209 259 L C 2.489 179.390 176.870 0.051 0.000 1.083 259 L CA 0.928 55.880 54.840 0.187 0.000 0.752 259 L CB -0.335 41.832 42.059 0.180 0.000 0.899 259 L HN 0.317 nan 8.230 nan 0.000 0.433 260 Q N -0.760 119.048 119.800 0.014 0.000 2.245 260 Q HA 0.017 4.357 4.340 -0.000 0.000 0.201 260 Q C 0.135 175.722 176.000 -0.688 0.000 0.955 260 Q CA 0.973 56.572 55.803 -0.339 0.000 0.870 260 Q CB 0.209 28.676 28.738 -0.453 0.000 0.945 260 Q HN 0.371 nan 8.270 nan 0.000 0.461 261 F N 1.148 121.147 119.950 0.082 0.000 2.471 261 F HA 0.284 4.811 4.527 -0.000 0.000 0.318 261 F C -1.576 174.209 175.800 -0.025 0.000 1.308 261 F CA -2.095 55.916 58.000 0.019 0.000 1.162 261 F CB 1.253 40.258 39.000 0.009 0.000 1.383 261 F HN -0.061 nan 8.300 nan 0.000 0.552 262 P HA -0.164 nan 4.420 nan 0.000 0.222 262 P C 1.995 179.433 177.300 0.231 0.000 1.147 262 P CA 1.154 64.351 63.100 0.162 0.000 0.790 262 P CB 0.615 32.410 31.700 0.158 0.000 0.780 263 I N -0.615 120.116 120.570 0.269 0.000 2.657 263 I HA -0.182 3.987 4.170 -0.000 0.000 0.261 263 I C 1.834 177.934 176.117 -0.029 0.000 1.212 263 I CA 0.970 62.361 61.300 0.151 0.000 1.453 263 I CB -0.095 38.009 38.000 0.174 0.000 1.092 263 I HN -0.127 nan 8.210 nan 0.000 0.452 264 L N -0.225 120.956 121.223 -0.070 0.000 2.492 264 L HA -0.017 4.322 4.340 -0.000 0.000 0.223 264 L C 0.651 177.489 176.870 -0.053 0.000 1.132 264 L CA 0.339 55.091 54.840 -0.148 0.000 0.850 264 L CB -0.418 41.384 42.059 -0.428 0.000 0.966 264 L HN 0.177 nan 8.230 nan 0.000 0.454 265 N N 0.934 119.593 118.700 -0.068 0.000 3.040 265 N HA 0.456 5.195 4.740 -0.000 0.000 0.305 265 N C -0.726 174.795 175.510 0.019 0.000 1.611 265 N CA -0.048 52.997 53.050 -0.008 0.000 1.049 265 N CB 0.531 38.983 38.487 -0.058 0.000 1.342 265 N HN 0.168 nan 8.380 nan 0.000 0.497 266 A N -0.366 122.435 122.820 -0.031 0.000 2.594 266 A HA 0.818 5.138 4.320 -0.000 0.000 0.291 266 A C -0.812 176.715 177.584 -0.095 0.000 1.105 266 A CA -0.607 51.359 52.037 -0.119 0.000 0.694 266 A CB 1.363 20.174 19.000 -0.315 0.000 1.291 266 A HN 0.214 nan 8.150 nan 0.000 0.410 267 S N -1.058 114.577 115.700 -0.110 0.000 2.638 267 S HA 0.791 5.261 4.470 -0.000 0.000 0.302 267 S C -0.366 174.172 174.600 -0.104 0.000 1.096 267 S CA -0.154 57.998 58.200 -0.081 0.000 0.953 267 S CB 1.727 64.901 63.200 -0.042 0.000 1.107 267 S HN 1.713 nan 8.310 nan 0.000 0.503 268 V N -0.381 119.487 119.914 -0.076 0.000 3.046 268 V HA 0.765 4.885 4.120 -0.000 0.000 0.316 268 V C -0.657 175.413 176.094 -0.041 0.000 1.104 268 V CA -1.123 61.138 62.300 -0.066 0.000 1.006 268 V CB 1.618 33.402 31.823 -0.065 0.000 1.058 268 V HN 0.879 nan 8.190 nan 0.000 0.440 269 D N 0.645 121.026 120.400 -0.032 0.000 2.478 269 D HA 0.250 4.890 4.640 -0.000 0.000 0.269 269 D C 0.852 177.142 176.300 -0.016 0.000 1.232 269 D CA -0.234 53.755 54.000 -0.020 0.000 1.059 269 D CB 0.602 41.394 40.800 -0.014 0.000 1.104 269 D HN 0.671 nan 8.370 nan 0.000 0.566 270 E N -0.524 119.670 120.200 -0.011 0.000 2.048 270 E HA -0.222 4.127 4.350 -0.000 0.000 0.202 270 E C 1.182 177.776 176.600 -0.009 0.000 1.021 270 E CA 1.782 58.177 56.400 -0.008 0.000 0.825 270 E CB -0.189 29.508 29.700 -0.006 0.000 0.756 270 E HN 0.428 nan 8.360 nan 0.000 0.454 271 N N -0.167 118.527 118.700 -0.009 0.000 2.322 271 N HA 0.008 4.747 4.740 -0.000 0.000 0.194 271 N C -0.096 175.407 175.510 -0.012 0.000 1.126 271 N CA 0.326 53.371 53.050 -0.009 0.000 0.845 271 N CB 0.423 38.906 38.487 -0.007 0.000 0.976 271 N HN 0.154 nan 8.380 nan 0.000 0.475 272 C N 1.164 120.455 119.300 -0.016 0.000 4.354 272 C HA -0.154 4.305 4.460 -0.000 0.000 0.307 272 C C 1.029 176.007 174.990 -0.019 0.000 1.318 272 C CA 0.247 59.252 59.018 -0.022 0.000 2.060 272 C CB -2.470 25.257 27.740 -0.022 0.000 1.283 272 C HN 0.515 nan 8.230 nan 0.000 0.723 273 Q N -0.070 119.720 119.800 -0.016 0.000 2.217 273 Q HA 0.274 4.614 4.340 -0.000 0.000 0.217 273 Q C 0.084 176.078 176.000 -0.009 0.000 0.844 273 Q CA 0.365 56.162 55.803 -0.011 0.000 0.957 273 Q CB 0.408 29.143 28.738 -0.006 0.000 1.127 273 Q HN 0.897 nan 8.270 nan 0.000 0.503 274 N N 0.056 118.746 118.700 -0.017 0.000 2.324 274 N HA 0.421 5.161 4.740 -0.000 0.000 0.285 274 N C -1.552 173.932 175.510 -0.043 0.000 1.076 274 N CA -0.431 52.610 53.050 -0.014 0.000 0.864 274 N CB 2.228 40.713 38.487 -0.003 0.000 1.632 274 N HN -0.062 nan 8.380 nan 0.000 0.478 275 I N 0.963 121.497 120.570 -0.060 0.000 2.392 275 I HA 0.402 4.572 4.170 -0.000 0.000 0.295 275 I C -0.253 175.774 176.117 -0.150 0.000 0.985 275 I CA -0.464 60.730 61.300 -0.177 0.000 1.221 275 I CB 1.793 39.596 38.000 -0.329 0.000 1.366 275 I HN 0.381 nan 8.210 nan 0.000 0.467 276 T N 5.128 119.579 114.554 -0.173 0.000 2.809 276 T HA 0.395 4.745 4.350 -0.000 0.000 0.296 276 T C -0.713 173.912 174.700 -0.125 0.000 1.015 276 T CA -0.390 61.669 62.100 -0.067 0.000 0.954 276 T CB 0.133 68.992 68.868 -0.016 0.000 0.950 276 T HN 0.144 nan 8.240 nan 0.000 0.450 277 Y N 2.690 123.000 120.300 0.017 0.000 2.436 277 Y HA 0.318 4.868 4.550 -0.000 0.000 0.343 277 Y C 1.025 176.945 175.900 0.032 0.000 1.008 277 Y CA -0.475 57.638 58.100 0.022 0.000 1.241 277 Y CB 0.542 39.013 38.460 0.018 0.000 1.153 277 Y HN 0.318 nan 8.280 nan 0.000 0.521 278 K N 1.949 122.444 120.400 0.159 0.000 2.183 278 K HA 0.514 4.834 4.320 -0.000 0.000 0.274 278 K C 0.450 177.138 176.600 0.147 0.000 1.009 278 K CA -0.220 56.142 56.287 0.125 0.000 0.888 278 K CB 1.463 34.021 32.500 0.097 0.000 1.078 278 K HN 0.813 nan 8.250 nan 0.000 0.459 279 A N 2.180 125.062 122.820 0.103 0.000 1.984 279 A HA 0.044 4.364 4.320 -0.000 0.000 0.214 279 A C 0.584 178.184 177.584 0.025 0.000 1.173 279 A CA 0.639 52.715 52.037 0.066 0.000 0.673 279 A CB 0.252 19.268 19.000 0.027 0.000 0.830 279 A HN 0.561 nan 8.150 nan 0.000 0.453 280 S N 0.554 116.286 115.700 0.053 0.000 2.523 280 S HA 0.282 4.752 4.470 -0.000 0.000 0.275 280 S C -0.509 174.192 174.600 0.169 0.000 1.281 280 S CA -0.311 57.910 58.200 0.036 0.000 1.050 280 S CB 0.036 63.267 63.200 0.051 0.000 0.937 280 S HN 0.564 nan 8.310 nan 0.000 0.492 281 H N 3.012 122.110 119.070 0.046 0.000 2.914 281 H HA 0.193 4.749 4.556 -0.000 0.000 0.264 281 H C -0.404 174.971 175.328 0.079 0.000 1.433 281 H CA -0.730 55.351 56.048 0.055 0.000 1.342 281 H CB -0.047 29.740 29.762 0.042 0.000 1.582 281 H HN 0.360 nan 8.280 nan 0.000 0.525 282 N N 4.203 123.025 118.700 0.204 0.000 2.602 282 N HA 0.138 4.878 4.740 -0.000 0.000 0.238 282 N C -0.251 175.371 175.510 0.186 0.000 1.084 282 N CA -0.104 53.041 53.050 0.159 0.000 0.952 282 N CB 0.806 39.364 38.487 0.119 0.000 1.244 282 N HN 0.526 nan 8.380 nan 0.000 0.512 283 I N 0.817 121.511 120.570 0.207 0.000 2.337 283 I HA 0.202 4.372 4.170 -0.000 0.000 0.291 283 I C 1.351 177.590 176.117 0.203 0.000 1.046 283 I CA -0.709 60.748 61.300 0.263 0.000 1.324 283 I CB 0.709 38.896 38.000 0.311 0.000 1.409 283 I HN 0.268 nan 8.210 nan 0.000 0.494 284 G N 7.560 116.467 108.800 0.179 0.000 2.491 284 G HA2 0.389 4.349 3.960 -0.000 0.000 0.242 284 G HA3 0.389 4.349 3.960 -0.000 0.000 0.242 284 G C -0.233 174.740 174.900 0.122 0.000 1.266 284 G CA -0.372 44.801 45.100 0.121 0.000 0.844 284 G HN 0.455 nan 8.290 nan 0.000 0.571 285 I N 1.670 122.301 120.570 0.102 0.000 2.411 285 I HA 0.331 4.501 4.170 -0.000 0.000 0.284 285 I C 0.607 176.771 176.117 0.078 0.000 1.012 285 I CA -1.257 60.104 61.300 0.101 0.000 1.119 285 I CB 0.830 38.888 38.000 0.097 0.000 1.261 285 I HN 0.542 nan 8.210 nan 0.000 0.448 286 A N 7.861 130.722 122.820 0.069 0.000 2.454 286 A HA 0.548 4.867 4.320 -0.000 0.000 0.260 286 A C -0.063 177.556 177.584 0.059 0.000 1.106 286 A CA -0.121 51.950 52.037 0.056 0.000 0.780 286 A CB 0.445 19.468 19.000 0.038 0.000 1.044 286 A HN 0.809 nan 8.150 nan 0.000 0.498 287 M N 3.085 122.719 119.600 0.057 0.000 2.259 287 M HA 0.290 4.770 4.480 -0.000 0.000 0.304 287 M C -1.338 174.991 176.300 0.048 0.000 1.019 287 M CA -0.637 54.693 55.300 0.051 0.000 0.922 287 M CB 1.577 34.203 32.600 0.044 0.000 1.600 287 M HN 0.800 nan 8.290 nan 0.000 0.433 288 D N 3.443 123.870 120.400 0.044 0.000 2.277 288 D HA 0.455 5.095 4.640 -0.000 0.000 0.249 288 D C -0.592 175.727 176.300 0.032 0.000 1.134 288 D CA 0.273 54.298 54.000 0.042 0.000 0.863 288 D CB 1.102 41.926 40.800 0.040 0.000 1.143 288 D HN 0.665 nan 8.370 nan 0.000 0.458 289 T N 0.008 114.581 114.554 0.030 0.000 2.831 289 T HA 0.342 4.692 4.350 -0.000 0.000 0.287 289 T C 0.848 175.561 174.700 0.023 0.000 1.070 289 T CA -0.818 61.290 62.100 0.015 0.000 1.010 289 T CB 1.117 69.979 68.868 -0.010 0.000 1.264 289 T HN 0.338 nan 8.240 nan 0.000 0.532 290 E N 0.205 120.412 120.200 0.013 0.000 2.472 290 E HA -0.085 4.265 4.350 -0.000 0.000 0.200 290 E C 0.352 176.975 176.600 0.038 0.000 1.046 290 E CA 0.811 57.224 56.400 0.023 0.000 0.871 290 E CB -0.071 29.637 29.700 0.013 0.000 0.806 290 E HN 0.579 nan 8.360 nan 0.000 0.533 291 Q N -0.729 119.086 119.800 0.025 0.000 2.324 291 Q HA 0.240 4.580 4.340 -0.000 0.000 0.373 291 Q C 0.930 176.963 176.000 0.054 0.000 0.909 291 Q CA -0.213 55.607 55.803 0.028 0.000 1.135 291 Q CB 1.265 29.970 28.738 -0.055 0.000 1.313 291 Q HN 0.117 nan 8.270 nan 0.000 0.417 292 G N 0.755 109.666 108.800 0.185 0.000 2.499 292 G HA2 -0.044 3.915 3.960 -0.000 0.000 0.213 292 G HA3 -0.044 3.915 3.960 -0.000 0.000 0.213 292 G C 0.132 175.094 174.900 0.104 0.000 1.230 292 G CA -0.055 45.119 45.100 0.124 0.000 0.813 292 G HN 0.358 nan 8.290 nan 0.000 0.542 293 L N 0.898 122.206 121.223 0.141 0.000 2.361 293 L HA 0.656 4.996 4.340 -0.000 0.000 0.278 293 L C -0.543 176.430 176.870 0.171 0.000 1.113 293 L CA -0.197 54.719 54.840 0.127 0.000 0.849 293 L CB 0.718 42.843 42.059 0.109 0.000 1.155 293 L HN 0.215 nan 8.230 nan 0.000 0.452 294 I N 4.489 125.134 120.570 0.126 0.000 2.769 294 I HA 0.479 4.649 4.170 -0.000 0.000 0.298 294 I C -1.220 174.957 176.117 0.100 0.000 1.128 294 I CA -0.726 60.661 61.300 0.146 0.000 1.031 294 I CB 2.313 40.348 38.000 0.058 0.000 1.235 294 I HN 0.261 nan 8.210 nan 0.000 0.423 295 V N 7.715 127.696 119.914 0.110 0.000 2.315 295 V HA 0.377 4.497 4.120 -0.000 0.000 0.265 295 V C -2.235 173.906 176.094 0.078 0.000 1.019 295 V CA -1.088 61.262 62.300 0.083 0.000 0.824 295 V CB 0.407 32.274 31.823 0.074 0.000 1.072 295 V HN 0.566 nan 8.190 nan 0.000 0.448 296 P HA 0.440 nan 4.420 nan 0.000 0.279 296 P C -1.031 176.309 177.300 0.067 0.000 1.276 296 P CA -0.413 62.721 63.100 0.058 0.000 0.801 296 P CB 1.281 33.004 31.700 0.038 0.000 1.127 297 N N -2.263 116.477 118.700 0.066 0.000 2.357 297 N HA 0.431 5.171 4.740 -0.000 0.000 0.284 297 N C -1.462 174.091 175.510 0.071 0.000 1.236 297 N CA -1.022 52.077 53.050 0.083 0.000 0.774 297 N CB 1.107 39.652 38.487 0.096 0.000 1.534 297 N HN -0.040 nan 8.380 nan 0.000 0.478 298 V N 1.456 121.420 119.914 0.084 0.000 2.364 298 V HA 0.274 4.394 4.120 -0.000 0.000 0.272 298 V C 0.234 176.374 176.094 0.076 0.000 1.036 298 V CA -0.792 61.547 62.300 0.065 0.000 0.880 298 V CB 0.392 32.255 31.823 0.067 0.000 0.991 298 V HN 0.584 nan 8.190 nan 0.000 0.460 299 K N 3.551 123.984 120.400 0.056 0.000 2.380 299 K HA 0.110 4.430 4.320 -0.000 0.000 0.267 299 K C 0.745 177.378 176.600 0.055 0.000 0.990 299 K CA -0.090 56.231 56.287 0.057 0.000 0.946 299 K CB 0.043 32.565 32.500 0.037 0.000 0.937 299 K HN 0.702 nan 8.250 nan 0.000 0.491 300 N N 0.503 119.236 118.700 0.056 0.000 2.698 300 N HA -0.185 4.554 4.740 -0.000 0.000 0.258 300 N C 0.930 176.459 175.510 0.032 0.000 0.978 300 N CA 0.504 53.570 53.050 0.026 0.000 0.777 300 N CB -1.247 37.241 38.487 0.002 0.000 0.907 300 N HN 0.306 nan 8.380 nan 0.000 0.543 301 V N 0.609 120.576 119.914 0.088 0.000 2.380 301 V HA -0.322 3.797 4.120 -0.000 0.000 0.251 301 V C 2.637 178.774 176.094 0.071 0.000 1.063 301 V CA 2.424 64.784 62.300 0.100 0.000 1.055 301 V CB -0.252 31.674 31.823 0.172 0.000 0.657 301 V HN 0.612 nan 8.190 nan 0.000 0.455 302 Q N 1.450 121.265 119.800 0.025 0.000 2.368 302 Q HA -0.185 4.155 4.340 -0.000 0.000 0.210 302 Q C 1.768 177.745 176.000 -0.038 0.000 0.982 302 Q CA 2.363 58.140 55.803 -0.043 0.000 0.884 302 Q CB -0.761 27.779 28.738 -0.329 0.000 0.933 302 Q HN 0.845 nan 8.270 nan 0.000 0.460 303 I N -2.868 117.684 120.570 -0.030 0.000 3.928 303 I HA 0.351 4.521 4.170 -0.000 0.000 0.335 303 I C 0.368 176.483 176.117 -0.002 0.000 1.325 303 I CA -0.601 60.688 61.300 -0.018 0.000 1.107 303 I CB 0.289 38.276 38.000 -0.022 0.000 1.014 303 I HN -0.152 nan 8.210 nan 0.000 0.400 304 R N 1.450 121.954 120.500 0.006 0.000 2.711 304 R HA 0.526 4.866 4.340 -0.000 0.000 0.284 304 R C 0.041 176.345 176.300 0.007 0.000 0.968 304 R CA -0.562 55.542 56.100 0.006 0.000 0.924 304 R CB 2.092 32.391 30.300 -0.002 0.000 1.162 304 R HN 0.361 nan 8.270 nan 0.000 0.465 305 S N 1.020 116.729 115.700 0.016 0.000 2.614 305 S HA 0.178 4.648 4.470 -0.000 0.000 0.265 305 S C 1.562 176.152 174.600 -0.017 0.000 1.303 305 S CA -0.691 57.521 58.200 0.020 0.000 1.000 305 S CB 0.622 63.864 63.200 0.069 0.000 0.935 305 S HN 0.604 nan 8.310 nan 0.000 0.551 306 I N 0.226 120.765 120.570 -0.052 0.000 2.185 306 I HA -0.207 3.963 4.170 -0.000 0.000 0.246 306 I C 2.172 178.215 176.117 -0.123 0.000 1.088 306 I CA 1.896 63.096 61.300 -0.167 0.000 1.347 306 I CB -0.439 37.370 38.000 -0.317 0.000 1.041 306 I HN 0.756 nan 8.210 nan 0.000 0.415 307 F N 1.780 121.644 119.950 -0.144 0.000 2.134 307 F HA -0.212 4.315 4.527 -0.000 0.000 0.299 307 F C 2.384 178.136 175.800 -0.081 0.000 1.097 307 F CA 1.800 59.734 58.000 -0.109 0.000 1.264 307 F CB -0.328 38.630 39.000 -0.071 0.000 1.001 307 F HN 0.034 nan 8.300 nan 0.000 0.479 308 E N 0.500 120.579 120.200 -0.202 0.000 2.110 308 E HA -0.208 4.142 4.350 -0.000 0.000 0.193 308 E C 2.281 178.730 176.600 -0.251 0.000 0.988 308 E CA 1.797 58.035 56.400 -0.271 0.000 0.804 308 E CB -0.287 29.369 29.700 -0.074 0.000 0.745 308 E HN 0.501 nan 8.360 nan 0.000 0.458 309 I N 1.121 121.588 120.570 -0.172 0.000 2.226 309 I HA -0.286 3.884 4.170 -0.000 0.000 0.245 309 I C 2.551 178.562 176.117 -0.175 0.000 1.100 309 I CA 0.986 62.209 61.300 -0.128 0.000 1.374 309 I CB -0.368 37.583 38.000 -0.082 0.000 1.057 309 I HN 0.090 nan 8.210 nan 0.000 0.413 310 A N 0.402 123.073 122.820 -0.249 0.000 1.883 310 A HA -0.245 4.075 4.320 -0.000 0.000 0.217 310 A C 2.409 179.830 177.584 -0.271 0.000 1.186 310 A CA 2.661 54.552 52.037 -0.244 0.000 0.624 310 A CB -1.219 17.634 19.000 -0.246 0.000 0.822 310 A HN 0.399 nan 8.150 nan 0.000 0.444 311 T N -0.768 113.527 114.554 -0.432 0.000 2.746 311 T HA -0.132 4.217 4.350 -0.000 0.000 0.267 311 T C 1.923 176.502 174.700 -0.202 0.000 1.039 311 T CA 1.815 63.691 62.100 -0.373 0.000 1.142 311 T CB -0.182 68.378 68.868 -0.515 0.000 0.866 311 T HN 0.663 nan 8.240 nan 0.000 0.444 312 E N 0.740 120.840 120.200 -0.167 0.000 2.112 312 E HA 0.061 4.411 4.350 -0.000 0.000 0.190 312 E C 2.064 178.626 176.600 -0.063 0.000 0.979 312 E CA 0.534 56.878 56.400 -0.093 0.000 0.814 312 E CB -0.502 29.157 29.700 -0.068 0.000 0.762 312 E HN 0.359 nan 8.360 nan 0.000 0.460 313 L N 0.680 121.864 121.223 -0.066 0.000 1.989 313 L HA -0.265 4.075 4.340 -0.000 0.000 0.211 313 L C 2.058 178.906 176.870 -0.036 0.000 1.071 313 L CA 1.928 56.746 54.840 -0.036 0.000 0.749 313 L CB -0.553 41.486 42.059 -0.034 0.000 0.890 313 L HN 0.346 nan 8.230 nan 0.000 0.431 314 N N -0.711 117.953 118.700 -0.060 0.000 2.060 314 N HA -0.299 4.441 4.740 -0.000 0.000 0.195 314 N C 1.925 177.410 175.510 -0.041 0.000 1.028 314 N CA 1.477 54.497 53.050 -0.050 0.000 0.861 314 N CB -0.167 38.278 38.487 -0.070 0.000 1.029 314 N HN 0.295 nan 8.380 nan 0.000 0.428 315 R N 1.347 121.816 120.500 -0.051 0.000 2.082 315 R HA -0.119 4.221 4.340 -0.000 0.000 0.234 315 R C 2.314 178.598 176.300 -0.027 0.000 1.136 315 R CA 1.237 57.313 56.100 -0.040 0.000 0.935 315 R CB -0.337 29.936 30.300 -0.046 0.000 0.842 315 R HN 0.184 nan 8.270 nan 0.000 0.430 316 L N 0.550 121.760 121.223 -0.021 0.000 2.079 316 L HA -0.229 4.111 4.340 -0.000 0.000 0.210 316 L C 2.710 179.575 176.870 -0.008 0.000 1.081 316 L CA 1.559 56.393 54.840 -0.010 0.000 0.752 316 L CB -0.488 41.572 42.059 0.003 0.000 0.896 316 L HN 0.351 nan 8.230 nan 0.000 0.433 317 Q N 0.008 119.804 119.800 -0.007 0.000 2.079 317 Q HA -0.251 4.088 4.340 -0.000 0.000 0.200 317 Q C 2.226 178.220 176.000 -0.009 0.000 0.974 317 Q CA 1.620 57.421 55.803 -0.002 0.000 0.840 317 Q CB -0.090 28.650 28.738 0.003 0.000 0.898 317 Q HN 0.350 nan 8.270 nan 0.000 0.430 318 K N 1.115 121.506 120.400 -0.015 0.000 2.009 318 K HA -0.157 4.162 4.320 -0.000 0.000 0.210 318 K C 1.892 178.480 176.600 -0.020 0.000 1.049 318 K CA 1.202 57.478 56.287 -0.017 0.000 0.929 318 K CB -0.189 32.299 32.500 -0.021 0.000 0.714 318 K HN 0.107 nan 8.250 nan 0.000 0.440 319 L N -0.045 121.165 121.223 -0.023 0.000 2.131 319 L HA -0.083 4.257 4.340 -0.000 0.000 0.210 319 L C 2.489 179.338 176.870 -0.035 0.000 1.092 319 L CA 1.201 56.024 54.840 -0.029 0.000 0.759 319 L CB -0.669 41.373 42.059 -0.028 0.000 0.903 319 L HN 0.516 nan 8.230 nan 0.000 0.435 320 G N -0.590 108.193 108.800 -0.028 0.000 2.404 320 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.215 320 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.215 320 G C 1.690 176.570 174.900 -0.034 0.000 1.174 320 G CA 0.916 45.997 45.100 -0.032 0.000 0.780 320 G HN 0.472 nan 8.290 nan 0.000 0.537 321 S N -0.009 115.678 115.700 -0.022 0.000 2.593 321 S HA 0.520 4.990 4.470 -0.000 0.000 0.217 321 S C 1.831 176.417 174.600 -0.023 0.000 0.966 321 S CA 0.880 59.069 58.200 -0.018 0.000 0.914 321 S CB 0.310 63.506 63.200 -0.006 0.000 0.776 321 S HN 0.503 nan 8.310 nan 0.000 0.523 322 A N 0.229 123.031 122.820 -0.030 0.000 2.390 322 A HA 0.659 4.979 4.320 -0.000 0.000 0.232 322 A C 1.577 179.133 177.584 -0.046 0.000 1.233 322 A CA 0.249 52.267 52.037 -0.032 0.000 0.907 322 A CB -0.676 18.308 19.000 -0.027 0.000 0.967 322 A HN 1.441 nan 8.150 nan 0.000 0.512 323 G N -0.527 108.235 108.800 -0.063 0.000 2.153 323 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.252 323 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.252 323 G C 0.337 175.180 174.900 -0.094 0.000 0.994 323 G CA 0.597 45.641 45.100 -0.094 0.000 0.698 323 G HN 0.572 nan 8.290 nan 0.000 0.521 324 Q N -0.704 119.053 119.800 -0.072 0.000 2.157 324 Q HA 0.410 4.750 4.340 -0.000 0.000 0.229 324 Q C 0.922 176.888 176.000 -0.056 0.000 0.827 324 Q CA -0.396 55.371 55.803 -0.060 0.000 1.055 324 Q CB 0.687 29.400 28.738 -0.042 0.000 1.157 324 Q HN 0.582 nan 8.270 nan 0.000 0.482 325 L N 1.982 123.164 121.223 -0.068 0.000 2.490 325 L HA 0.021 4.361 4.340 -0.000 0.000 0.274 325 L C 0.904 177.746 176.870 -0.046 0.000 1.201 325 L CA 0.033 54.842 54.840 -0.052 0.000 0.869 325 L CB 0.512 42.536 42.059 -0.058 0.000 1.123 325 L HN 0.214 nan 8.230 nan 0.000 0.484 326 S N 0.920 116.605 115.700 -0.025 0.000 2.686 326 S HA 0.201 4.671 4.470 -0.000 0.000 0.270 326 S C 1.048 175.647 174.600 -0.001 0.000 1.194 326 S CA -0.455 57.735 58.200 -0.015 0.000 0.990 326 S CB 1.350 64.545 63.200 -0.008 0.000 1.029 326 S HN 0.630 nan 8.310 nan 0.000 0.560 327 T N 1.880 116.439 114.554 0.008 0.000 2.652 327 T HA -0.113 4.237 4.350 -0.000 0.000 0.267 327 T C 1.768 176.485 174.700 0.028 0.000 1.039 327 T CA 1.638 63.753 62.100 0.025 0.000 1.153 327 T CB -0.764 68.120 68.868 0.025 0.000 0.863 327 T HN 0.598 nan 8.240 nan 0.000 0.428 328 N N 1.347 120.059 118.700 0.020 0.000 2.205 328 N HA -0.112 4.627 4.740 -0.000 0.000 0.186 328 N C 1.372 176.898 175.510 0.026 0.000 1.015 328 N CA 1.070 54.134 53.050 0.023 0.000 0.862 328 N CB -0.355 38.142 38.487 0.016 0.000 0.986 328 N HN 0.411 nan 8.380 nan 0.000 0.429 329 D N 0.089 120.503 120.400 0.022 0.000 2.312 329 D HA -0.045 4.595 4.640 -0.000 0.000 0.211 329 D C 1.477 177.800 176.300 0.038 0.000 0.964 329 D CA 0.329 54.344 54.000 0.025 0.000 0.877 329 D CB 0.221 41.028 40.800 0.012 0.000 0.924 329 D HN 0.149 nan 8.370 nan 0.000 0.515 330 L N 0.291 121.541 121.223 0.045 0.000 2.515 330 L HA 0.254 4.594 4.340 -0.000 0.000 0.223 330 L C 0.981 177.891 176.870 0.066 0.000 1.079 330 L CA 0.247 55.126 54.840 0.065 0.000 0.857 330 L CB -0.186 41.924 42.059 0.085 0.000 1.050 330 L HN 0.011 nan 8.230 nan 0.000 0.476 331 I N -4.008 116.595 120.570 0.054 0.000 2.924 331 I HA 0.705 4.874 4.170 -0.000 0.000 0.316 331 I C 1.214 177.361 176.117 0.051 0.000 1.014 331 I CA -0.187 61.143 61.300 0.050 0.000 1.106 331 I CB 1.239 39.265 38.000 0.043 0.000 1.311 331 I HN 0.166 nan 8.210 nan 0.000 0.502 332 G N 2.127 110.957 108.800 0.049 0.000 2.157 332 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.239 332 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.239 332 G C 0.551 175.491 174.900 0.068 0.000 0.982 332 G CA -0.193 44.939 45.100 0.053 0.000 0.650 332 G HN 1.350 nan 8.290 nan 0.000 0.527 333 G N -0.017 108.825 108.800 0.070 0.000 2.353 333 G HA2 0.481 4.441 3.960 -0.000 0.000 0.239 333 G HA3 0.481 4.441 3.960 -0.000 0.000 0.239 333 G C 1.092 176.052 174.900 0.100 0.000 1.295 333 G CA 1.204 46.358 45.100 0.089 0.000 0.884 333 G HN 1.338 nan 8.290 nan 0.000 0.537 334 T N -0.889 113.751 114.554 0.143 0.000 2.985 334 T HA 0.410 4.760 4.350 -0.000 0.000 0.254 334 T C 0.043 174.885 174.700 0.236 0.000 1.021 334 T CA -0.063 62.130 62.100 0.155 0.000 0.957 334 T CB 0.148 69.107 68.868 0.152 0.000 1.047 334 T HN 0.603 nan 8.240 nan 0.000 0.511 335 F N 0.645 120.612 119.950 0.029 0.000 2.746 335 F HA 0.506 5.032 4.527 -0.000 0.000 0.311 335 F C -2.006 173.832 175.800 0.062 0.000 1.135 335 F CA -0.446 57.567 58.000 0.021 0.000 0.954 335 F CB 1.468 40.463 39.000 -0.007 0.000 1.276 335 F HN -0.064 nan 8.300 nan 0.000 0.440 336 T N 5.166 119.459 114.554 -0.434 0.000 2.912 336 T HA 0.660 5.009 4.350 -0.000 0.000 0.299 336 T C -1.222 173.363 174.700 -0.192 0.000 1.052 336 T CA -0.599 61.401 62.100 -0.166 0.000 0.996 336 T CB 1.786 70.586 68.868 -0.114 0.000 1.070 336 T HN 0.527 nan 8.240 nan 0.000 0.465 337 L N 1.922 123.174 121.223 0.047 0.000 2.329 337 L HA 0.706 5.046 4.340 -0.000 0.000 0.279 337 L C 0.173 177.066 176.870 0.039 0.000 1.014 337 L CA -0.817 54.060 54.840 0.062 0.000 0.814 337 L CB 1.954 44.150 42.059 0.229 0.000 1.257 337 L HN 0.570 nan 8.230 nan 0.000 0.424 338 S N 1.867 117.554 115.700 -0.021 0.000 2.667 338 S HA 0.213 4.682 4.470 -0.000 0.000 0.304 338 S C -0.078 174.524 174.600 0.004 0.000 1.135 338 S CA -0.693 57.503 58.200 -0.006 0.000 1.125 338 S CB 0.209 63.386 63.200 -0.039 0.000 0.996 338 S HN 0.590 nan 8.310 nan 0.000 0.474 339 N N 4.698 123.439 118.700 0.069 0.000 3.193 339 N HA 0.070 4.810 4.740 -0.000 0.000 0.312 339 N C 0.843 176.386 175.510 0.055 0.000 1.261 339 N CA -0.248 52.860 53.050 0.096 0.000 1.208 339 N CB -0.437 38.162 38.487 0.186 0.000 1.471 339 N HN 0.681 nan 8.380 nan 0.000 0.548 340 I N 0.120 120.696 120.570 0.009 0.000 2.700 340 I HA -0.019 4.150 4.170 -0.000 0.000 0.261 340 I C 1.893 178.011 176.117 0.002 0.000 1.219 340 I CA 0.692 61.993 61.300 0.001 0.000 1.463 340 I CB -0.465 37.522 38.000 -0.022 0.000 1.092 340 I HN 0.429 nan 8.210 nan 0.000 0.452 341 G N -0.645 108.157 108.800 0.004 0.000 2.509 341 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.218 341 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.218 341 G C 1.674 176.593 174.900 0.031 0.000 1.124 341 G CA 0.784 45.883 45.100 -0.001 0.000 0.776 341 G HN 0.555 nan 8.290 nan 0.000 0.547 342 S N -0.148 115.589 115.700 0.063 0.000 2.507 342 S HA 0.075 4.545 4.470 -0.000 0.000 0.235 342 S C 1.965 176.592 174.600 0.044 0.000 0.988 342 S CA 0.884 59.127 58.200 0.071 0.000 0.944 342 S CB -0.157 63.096 63.200 0.087 0.000 0.762 342 S HN 0.392 nan 8.310 nan 0.000 0.526 343 I N 0.071 120.658 120.570 0.028 0.000 3.565 343 I HA 0.446 4.616 4.170 -0.000 0.000 0.287 343 I C 1.215 177.333 176.117 0.002 0.000 1.193 343 I CA 0.345 61.655 61.300 0.016 0.000 1.402 343 I CB 0.714 38.723 38.000 0.015 0.000 1.284 343 I HN 0.473 nan 8.210 nan 0.000 0.454 344 G N -0.176 108.619 108.800 -0.008 0.000 2.368 344 G HA2 0.505 4.465 3.960 -0.000 0.000 0.293 344 G HA3 0.505 4.465 3.960 -0.000 0.000 0.293 344 G C -0.867 174.008 174.900 -0.041 0.000 1.467 344 G CA -0.060 45.026 45.100 -0.023 0.000 0.804 344 G HN 0.493 nan 8.290 nan 0.000 0.535 345 G N -1.764 107.003 108.800 -0.056 0.000 2.515 345 G HA2 0.505 4.465 3.960 -0.000 0.000 0.686 345 G HA3 0.505 4.465 3.960 -0.000 0.000 0.686 345 G C 0.393 175.218 174.900 -0.125 0.000 1.274 345 G CA 0.631 45.686 45.100 -0.074 0.000 0.874 345 G HN 2.109 nan 8.290 nan 0.000 0.631 346 T N -2.416 112.045 114.554 -0.154 0.000 3.556 346 T HA 0.509 4.859 4.350 -0.000 0.000 0.204 346 T C 0.784 175.267 174.700 -0.363 0.000 0.896 346 T CA 0.708 62.623 62.100 -0.308 0.000 1.380 346 T CB 0.243 68.921 68.868 -0.317 0.000 1.584 346 T HN 0.766 nan 8.240 nan 0.000 0.411 347 Y N 1.782 122.024 120.300 -0.097 0.000 2.403 347 Y HA 0.787 5.337 4.550 -0.000 0.000 0.323 347 Y C 0.558 176.390 175.900 -0.112 0.000 1.226 347 Y CA -0.709 57.320 58.100 -0.119 0.000 1.235 347 Y CB 1.384 39.776 38.460 -0.114 0.000 1.248 347 Y HN 0.810 nan 8.280 nan 0.000 0.489 348 A N 1.595 124.452 122.820 0.062 0.000 2.564 348 A HA 0.723 5.043 4.320 -0.000 0.000 0.288 348 A C -1.356 176.207 177.584 -0.036 0.000 1.164 348 A CA -0.906 51.123 52.037 -0.012 0.000 0.712 348 A CB 1.980 20.949 19.000 -0.051 0.000 1.303 348 A HN 0.465 nan 8.150 nan 0.000 0.418 349 K N 1.914 122.285 120.400 -0.048 0.000 2.624 349 K HA 0.342 4.662 4.320 -0.000 0.000 0.200 349 K C -2.706 173.861 176.600 -0.055 0.000 1.036 349 K CA -1.498 54.755 56.287 -0.058 0.000 1.029 349 K CB 0.693 33.153 32.500 -0.067 0.000 1.317 349 K HN 0.650 nan 8.250 nan 0.000 0.555 350 P HA 0.188 nan 4.420 nan 0.000 0.274 350 P C -0.430 176.877 177.300 0.011 0.000 1.237 350 P CA -0.552 62.529 63.100 -0.033 0.000 0.793 350 P CB 1.280 32.949 31.700 -0.052 0.000 0.977 351 V N 3.173 123.095 119.914 0.014 0.000 2.398 351 V HA 0.224 4.344 4.120 -0.000 0.000 0.286 351 V C 0.796 176.982 176.094 0.152 0.000 1.026 351 V CA -0.812 61.535 62.300 0.077 0.000 0.868 351 V CB 0.977 32.788 31.823 -0.019 0.000 0.982 351 V HN 0.399 nan 8.190 nan 0.000 0.443 352 I N 5.363 126.116 120.570 0.306 0.000 2.683 352 I HA -0.003 4.167 4.170 -0.000 0.000 0.286 352 I C -0.149 176.000 176.117 0.055 0.000 1.175 352 I CA -0.099 61.246 61.300 0.076 0.000 1.429 352 I CB 0.222 38.165 38.000 -0.095 0.000 1.371 352 I HN 0.318 nan 8.210 nan 0.000 0.569 353 L N 9.866 131.091 121.223 0.004 0.000 2.363 353 L HA 0.312 4.651 4.340 -0.000 0.000 0.286 353 L C -2.033 174.835 176.870 -0.003 0.000 1.106 353 L CA -1.739 53.104 54.840 0.004 0.000 0.859 353 L CB -0.469 41.589 42.059 -0.001 0.000 1.223 353 L HN 0.314 nan 8.230 nan 0.000 0.446 354 P HA 0.139 nan 4.420 nan 0.000 0.269 354 P C -2.036 175.263 177.300 -0.001 0.000 1.209 354 P CA -0.874 62.223 63.100 -0.005 0.000 0.776 354 P CB -0.001 31.699 31.700 -0.001 0.000 0.876 355 P HA 0.182 nan 4.420 nan 0.000 0.249 355 P C -0.156 177.135 177.300 -0.014 0.000 1.583 355 P CA 0.054 63.148 63.100 -0.010 0.000 0.988 355 P CB 0.399 32.094 31.700 -0.007 0.000 1.530 356 E N 0.014 120.207 120.200 -0.011 0.000 2.391 356 E HA 0.127 4.477 4.350 -0.000 0.000 0.255 356 E C 1.058 177.631 176.600 -0.045 0.000 1.187 356 E CA -0.245 56.146 56.400 -0.014 0.000 0.941 356 E CB 1.060 30.753 29.700 -0.013 0.000 1.010 356 E HN -0.044 nan 8.360 nan 0.000 0.458 357 V N -2.782 117.104 119.914 -0.048 0.000 3.432 357 V HA 0.605 4.725 4.120 -0.000 0.000 0.298 357 V C 0.125 176.163 176.094 -0.094 0.000 1.464 357 V CA 0.267 62.520 62.300 -0.079 0.000 1.046 357 V CB 0.218 31.996 31.823 -0.076 0.000 0.887 357 V HN 0.540 nan 8.190 nan 0.000 0.441 358 A N 0.157 122.914 122.820 -0.104 0.000 2.609 358 A HA 0.928 5.248 4.320 -0.000 0.000 0.291 358 A C -1.453 175.914 177.584 -0.361 0.000 1.096 358 A CA -0.453 51.492 52.037 -0.153 0.000 0.684 358 A CB 2.384 21.345 19.000 -0.064 0.000 1.282 358 A HN 0.849 nan 8.150 nan 0.000 0.412 359 I N -0.216 120.189 120.570 -0.275 0.000 2.785 359 I HA 0.643 4.813 4.170 -0.000 0.000 0.293 359 I C -0.355 175.722 176.117 -0.067 0.000 1.446 359 I CA -0.212 60.896 61.300 -0.321 0.000 1.028 359 I CB 2.062 39.956 38.000 -0.178 0.000 1.349 359 I HN 1.036 nan 8.210 nan 0.000 0.438 360 G N 5.164 113.870 108.800 -0.158 0.000 2.415 360 G HA2 0.798 4.758 3.960 -0.000 0.000 0.327 360 G HA3 0.798 4.758 3.960 -0.000 0.000 0.327 360 G C -1.337 173.296 174.900 -0.445 0.000 1.182 360 G CA -0.447 44.333 45.100 -0.533 0.000 0.924 360 G HN 0.848 nan 8.290 nan 0.000 0.470 361 A N 1.760 124.299 122.820 -0.469 0.000 2.330 361 A HA 0.802 5.122 4.320 -0.000 0.000 0.327 361 A C -0.524 176.849 177.584 -0.351 0.000 1.155 361 A CA -0.576 51.280 52.037 -0.301 0.000 0.803 361 A CB 1.016 19.901 19.000 -0.192 0.000 1.208 361 A HN 0.687 nan 8.150 nan 0.000 0.477 362 L N 2.610 123.692 121.223 -0.236 0.000 2.313 362 L HA 0.620 4.960 4.340 -0.000 0.000 0.283 362 L C 0.994 177.778 176.870 -0.144 0.000 1.013 362 L CA -0.477 54.233 54.840 -0.216 0.000 0.816 362 L CB 1.611 43.566 42.059 -0.174 0.000 1.236 362 L HN 0.825 nan 8.230 nan 0.000 0.419 363 G N 1.409 110.102 108.800 -0.179 0.000 2.535 363 G HA2 0.386 4.346 3.960 -0.000 0.000 0.282 363 G HA3 0.386 4.346 3.960 -0.000 0.000 0.282 363 G C -0.333 174.495 174.900 -0.119 0.000 1.350 363 G CA -0.427 44.578 45.100 -0.157 0.000 1.039 363 G HN 0.460 nan 8.290 nan 0.000 0.509 364 T N 0.668 115.157 114.554 -0.109 0.000 2.851 364 T HA 0.251 4.601 4.350 -0.000 0.000 0.298 364 T C 0.627 175.259 174.700 -0.112 0.000 0.977 364 T CA 0.112 62.163 62.100 -0.082 0.000 1.126 364 T CB 0.674 69.504 68.868 -0.063 0.000 0.916 364 T HN 0.245 nan 8.240 nan 0.000 0.529 365 I N 3.776 124.276 120.570 -0.118 0.000 2.505 365 I HA 0.199 4.369 4.170 -0.000 0.000 0.287 365 I C 0.617 176.671 176.117 -0.106 0.000 1.104 365 I CA 0.280 61.491 61.300 -0.149 0.000 1.387 365 I CB 0.159 38.022 38.000 -0.229 0.000 1.404 365 I HN 0.385 nan 8.210 nan 0.000 0.528 366 K N 5.517 125.856 120.400 -0.103 0.000 2.422 366 K HA 0.735 5.055 4.320 -0.000 0.000 0.251 366 K C -1.080 175.475 176.600 -0.076 0.000 0.933 366 K CA -0.776 55.462 56.287 -0.081 0.000 0.798 366 K CB 1.991 34.437 32.500 -0.089 0.000 1.238 366 K HN 0.616 nan 8.250 nan 0.000 0.428 367 A N 4.775 127.558 122.820 -0.061 0.000 2.354 367 A HA 0.491 4.811 4.320 -0.000 0.000 0.281 367 A C -0.834 176.712 177.584 -0.064 0.000 1.174 367 A CA -0.424 51.579 52.037 -0.058 0.000 0.828 367 A CB -0.102 18.871 19.000 -0.045 0.000 1.099 367 A HN 0.641 nan 8.150 nan 0.000 0.516 368 L N 3.548 124.727 121.223 -0.073 0.000 2.370 368 L HA 0.447 4.787 4.340 -0.000 0.000 0.266 368 L C -2.448 174.363 176.870 -0.099 0.000 1.002 368 L CA -2.358 52.432 54.840 -0.082 0.000 0.818 368 L CB 2.612 44.620 42.059 -0.085 0.000 1.325 368 L HN 0.396 nan 8.230 nan 0.000 0.418 369 P HA 0.178 nan 4.420 nan 0.000 0.266 369 P C -1.060 176.100 177.300 -0.234 0.000 1.215 369 P CA -0.018 62.982 63.100 -0.166 0.000 0.763 369 P CB 0.438 32.033 31.700 -0.176 0.000 0.806 370 R N 2.515 122.872 120.500 -0.239 0.000 2.771 370 R HA 0.466 4.805 4.340 -0.000 0.000 0.274 370 R C -0.524 175.622 176.300 -0.256 0.000 0.987 370 R CA -0.911 55.029 56.100 -0.267 0.000 0.908 370 R CB 1.030 31.261 30.300 -0.115 0.000 1.213 370 R HN 0.260 nan 8.270 nan 0.000 0.468 371 F N 2.139 122.085 119.950 -0.006 0.000 2.456 371 F HA 0.125 4.652 4.527 -0.000 0.000 0.358 371 F C 1.342 177.139 175.800 -0.005 0.000 1.095 371 F CA -0.457 57.540 58.000 -0.004 0.000 1.216 371 F CB 0.336 39.335 39.000 -0.001 0.000 1.125 371 F HN 0.446 nan 8.300 nan 0.000 0.549 372 N N 1.349 120.169 118.700 0.200 0.000 2.413 372 N HA 0.105 4.844 4.740 -0.000 0.000 0.266 372 N C 0.590 176.156 175.510 0.093 0.000 1.238 372 N CA -0.509 52.607 53.050 0.109 0.000 0.972 372 N CB 0.207 38.736 38.487 0.071 0.000 1.210 372 N HN 0.625 nan 8.380 nan 0.000 0.547 373 E N -0.201 120.031 120.200 0.054 0.000 2.130 373 E HA -0.206 4.143 4.350 -0.000 0.000 0.196 373 E C 0.875 177.486 176.600 0.018 0.000 0.998 373 E CA 1.374 57.793 56.400 0.032 0.000 0.806 373 E CB -0.145 29.570 29.700 0.025 0.000 0.738 373 E HN 0.564 nan 8.360 nan 0.000 0.459 374 K N -0.621 119.795 120.400 0.026 0.000 2.574 374 K HA -0.026 4.294 4.320 -0.000 0.000 0.193 374 K C 1.079 177.681 176.600 0.003 0.000 1.035 374 K CA 0.489 56.785 56.287 0.015 0.000 0.982 374 K CB 0.171 32.684 32.500 0.022 0.000 0.795 374 K HN 0.286 nan 8.250 nan 0.000 0.491 375 G N 1.654 110.456 108.800 0.004 0.000 2.143 375 G HA2 -0.281 3.678 3.960 -0.000 0.000 0.249 375 G HA3 -0.281 3.678 3.960 -0.000 0.000 0.249 375 G C -0.404 174.540 174.900 0.073 0.000 0.981 375 G CA 0.005 45.058 45.100 -0.078 0.000 0.665 375 G HN 0.397 nan 8.290 nan 0.000 0.528 376 E N -0.628 119.679 120.200 0.178 0.000 2.242 376 E HA 0.514 4.864 4.350 -0.000 0.000 0.275 376 E C 0.285 177.051 176.600 0.277 0.000 1.002 376 E CA -0.845 55.680 56.400 0.209 0.000 0.841 376 E CB 2.010 31.770 29.700 0.101 0.000 1.109 376 E HN 0.068 nan 8.360 nan 0.000 0.394 377 V N 3.484 123.506 119.914 0.180 0.000 2.397 377 V HA 0.025 4.145 4.120 -0.000 0.000 0.262 377 V C -0.073 176.008 176.094 -0.022 0.000 1.047 377 V CA -0.293 62.003 62.300 -0.007 0.000 1.003 377 V CB -0.361 31.428 31.823 -0.056 0.000 1.037 377 V HN 0.776 nan 8.190 nan 0.000 0.480 378 C N 4.517 123.793 119.300 -0.040 0.000 2.345 378 C HA 0.430 4.890 4.460 -0.000 0.000 0.370 378 C C 0.642 175.597 174.990 -0.059 0.000 1.209 378 C CA -1.140 57.859 59.018 -0.033 0.000 2.133 378 C CB 1.232 28.964 27.740 -0.014 0.000 2.293 378 C HN 0.815 nan 8.230 nan 0.000 0.544 379 K N 1.432 121.806 120.400 -0.043 0.000 2.310 379 K HA 0.522 4.842 4.320 -0.000 0.000 0.290 379 K C -0.537 176.035 176.600 -0.046 0.000 1.077 379 K CA 0.106 56.365 56.287 -0.047 0.000 0.922 379 K CB 0.208 32.688 32.500 -0.034 0.000 1.057 379 K HN 0.833 nan 8.250 nan 0.000 0.479 380 A N 4.457 127.242 122.820 -0.058 0.000 2.331 380 A HA 0.269 4.589 4.320 -0.000 0.000 0.320 380 A C -0.808 176.739 177.584 -0.061 0.000 1.138 380 A CA -0.836 51.168 52.037 -0.055 0.000 0.790 380 A CB 1.157 20.123 19.000 -0.057 0.000 1.206 380 A HN 0.652 nan 8.150 nan 0.000 0.470 381 Q N 2.475 122.239 119.800 -0.060 0.000 2.431 381 Q HA 0.185 4.525 4.340 -0.000 0.000 0.234 381 Q C -0.311 175.635 176.000 -0.090 0.000 1.203 381 Q CA 0.156 55.914 55.803 -0.074 0.000 0.902 381 Q CB 0.114 28.810 28.738 -0.069 0.000 1.455 381 Q HN 0.538 nan 8.270 nan 0.000 0.515 382 I N 2.521 123.034 120.570 -0.095 0.000 2.365 382 I HA 0.357 4.527 4.170 -0.000 0.000 0.291 382 I C 0.304 176.342 176.117 -0.133 0.000 1.004 382 I CA -0.393 60.844 61.300 -0.103 0.000 1.311 382 I CB 0.869 38.810 38.000 -0.098 0.000 1.401 382 I HN 0.448 nan 8.210 nan 0.000 0.491 383 M N 6.041 125.559 119.600 -0.137 0.000 2.393 383 M HA 0.412 4.891 4.480 -0.000 0.000 0.316 383 M C -0.991 175.199 176.300 -0.182 0.000 1.087 383 M CA -0.549 54.652 55.300 -0.166 0.000 0.937 383 M CB 1.855 34.359 32.600 -0.159 0.000 1.668 383 M HN 0.515 nan 8.290 nan 0.000 0.438 384 N N 1.951 120.483 118.700 -0.280 0.000 2.518 384 N HA 0.523 5.263 4.740 -0.000 0.000 0.283 384 N C -1.232 174.124 175.510 -0.256 0.000 1.119 384 N CA -0.612 52.223 53.050 -0.358 0.000 0.983 384 N CB 2.204 40.178 38.487 -0.854 0.000 1.139 384 N HN 0.366 nan 8.380 nan 0.000 0.465 385 V N 0.628 120.436 119.914 -0.176 0.000 2.823 385 V HA 0.683 4.803 4.120 -0.000 0.000 0.312 385 V C -1.089 174.834 176.094 -0.285 0.000 1.072 385 V CA -0.336 61.761 62.300 -0.337 0.000 0.937 385 V CB 1.939 33.476 31.823 -0.476 0.000 1.013 385 V HN 0.719 nan 8.190 nan 0.000 0.430 386 S N 5.362 120.794 115.700 -0.447 0.000 2.647 386 S HA 0.621 5.090 4.470 -0.000 0.000 0.300 386 S C -1.503 172.848 174.600 -0.415 0.000 1.129 386 S CA -0.420 57.611 58.200 -0.281 0.000 1.029 386 S CB 1.101 64.231 63.200 -0.117 0.000 1.007 386 S HN 0.735 nan 8.310 nan 0.000 0.484 387 W N 1.331 122.616 121.300 -0.026 0.000 2.627 387 W HA 0.700 5.360 4.660 -0.001 0.000 0.339 387 W C 0.276 176.760 176.519 -0.059 0.000 1.058 387 W CA -0.555 56.773 57.345 -0.028 0.000 1.223 387 W CB 1.421 30.918 29.460 0.062 0.000 1.389 387 W HN 0.417 nan 8.180 nan 0.000 0.541 388 S N 1.165 116.983 115.700 0.196 0.000 2.526 388 S HA 0.895 5.365 4.470 -0.000 0.000 0.293 388 S C -0.908 173.736 174.600 0.074 0.000 1.092 388 S CA -0.696 57.573 58.200 0.116 0.000 0.980 388 S CB 1.630 64.925 63.200 0.158 0.000 1.048 388 S HN 0.567 nan 8.310 nan 0.000 0.483 389 A N 1.550 124.402 122.820 0.054 0.000 2.594 389 A HA 0.616 4.936 4.320 -0.000 0.000 0.295 389 A C -1.529 176.029 177.584 -0.043 0.000 1.071 389 A CA -0.699 51.336 52.037 -0.003 0.000 0.685 389 A CB 1.168 20.197 19.000 0.049 0.000 1.285 389 A HN 0.642 nan 8.150 nan 0.000 0.405 390 D N 0.657 121.001 120.400 -0.094 0.000 2.359 390 D HA 0.061 4.701 4.640 -0.000 0.000 0.250 390 D C 0.616 176.930 176.300 0.023 0.000 1.264 390 D CA 0.237 54.188 54.000 -0.081 0.000 0.911 390 D CB 0.243 40.986 40.800 -0.095 0.000 1.056 390 D HN 0.572 nan 8.370 nan 0.000 0.499 391 H N 4.337 123.393 119.070 -0.023 0.000 2.561 391 H HA 0.040 4.596 4.556 -0.000 0.000 0.278 391 H C 1.439 176.732 175.328 -0.058 0.000 1.014 391 H CA 0.806 56.832 56.048 -0.038 0.000 1.211 391 H CB 0.380 30.152 29.762 0.017 0.000 1.365 391 H HN 0.458 nan 8.280 nan 0.000 0.594 392 R N -0.152 120.391 120.500 0.072 0.000 2.120 392 R HA -0.063 4.276 4.340 -0.000 0.000 0.234 392 R C 1.835 178.135 176.300 0.001 0.000 1.123 392 R CA 1.820 57.923 56.100 0.006 0.000 0.975 392 R CB 0.086 30.379 30.300 -0.011 0.000 0.866 392 R HN 0.469 nan 8.270 nan 0.000 0.446 393 I N -3.928 116.645 120.570 0.005 0.000 4.338 393 I HA 0.323 4.493 4.170 -0.000 0.000 0.329 393 I C -0.038 176.070 176.117 -0.015 0.000 1.378 393 I CA -0.247 61.044 61.300 -0.014 0.000 1.170 393 I CB 0.882 38.853 38.000 -0.048 0.000 1.206 393 I HN -0.167 nan 8.210 nan 0.000 0.432 394 I N 3.585 124.147 120.570 -0.013 0.000 2.439 394 I HA 0.298 4.468 4.170 -0.000 0.000 0.285 394 I C -1.056 174.966 176.117 -0.158 0.000 1.021 394 I CA -0.693 60.560 61.300 -0.077 0.000 1.091 394 I CB 1.595 39.535 38.000 -0.100 0.000 1.242 394 I HN 0.153 nan 8.210 nan 0.000 0.439 395 D N 4.257 124.545 120.400 -0.185 0.000 2.423 395 D HA 0.272 4.912 4.640 -0.000 0.000 0.255 395 D C 1.240 177.214 176.300 -0.543 0.000 1.174 395 D CA -0.589 53.229 54.000 -0.303 0.000 1.008 395 D CB 1.005 41.724 40.800 -0.135 0.000 1.101 395 D HN 0.506 nan 8.370 nan 0.000 0.516 396 G N -0.919 107.467 108.800 -0.690 0.000 2.421 396 G HA2 -0.028 3.932 3.960 -0.000 0.000 0.217 396 G HA3 -0.028 3.932 3.960 -0.000 0.000 0.217 396 G C 1.456 176.188 174.900 -0.281 0.000 1.143 396 G CA 0.728 45.453 45.100 -0.625 0.000 0.784 396 G HN 0.625 nan 8.290 nan 0.000 0.541 397 A N 0.617 123.312 122.820 -0.209 0.000 1.908 397 A HA -0.073 4.247 4.320 -0.000 0.000 0.218 397 A C 2.521 179.974 177.584 -0.219 0.000 1.181 397 A CA 2.558 54.503 52.037 -0.154 0.000 0.627 397 A CB -0.970 17.983 19.000 -0.078 0.000 0.818 397 A HN 0.294 nan 8.150 nan 0.000 0.445 398 T N -0.826 113.590 114.554 -0.229 0.000 2.737 398 T HA -0.106 4.243 4.350 -0.000 0.000 0.265 398 T C 1.957 176.372 174.700 -0.474 0.000 1.038 398 T CA 1.599 63.525 62.100 -0.290 0.000 1.144 398 T CB -0.579 68.194 68.868 -0.159 0.000 0.866 398 T HN 0.465 nan 8.240 nan 0.000 0.434 399 V N 0.856 120.539 119.914 -0.384 0.000 2.427 399 V HA -0.092 4.028 4.120 -0.000 0.000 0.248 399 V C 2.482 178.215 176.094 -0.601 0.000 1.051 399 V CA 2.439 64.484 62.300 -0.425 0.000 1.048 399 V CB -0.727 30.959 31.823 -0.228 0.000 0.666 399 V HN 0.502 nan 8.190 nan 0.000 0.456 400 S N -0.252 115.025 115.700 -0.706 0.000 2.399 400 S HA -0.192 4.278 4.470 -0.000 0.000 0.231 400 S C 2.161 176.546 174.600 -0.358 0.000 1.022 400 S CA 1.828 59.565 58.200 -0.771 0.000 0.983 400 S CB -0.433 62.469 63.200 -0.496 0.000 0.803 400 S HN 0.735 nan 8.310 nan 0.000 0.480 401 R N -0.743 119.523 120.500 -0.389 0.000 2.073 401 R HA 0.022 4.362 4.340 -0.000 0.000 0.229 401 R C 2.112 178.124 176.300 -0.479 0.000 1.120 401 R CA 1.463 57.363 56.100 -0.334 0.000 0.967 401 R CB -0.572 29.555 30.300 -0.287 0.000 0.862 401 R HN 0.563 nan 8.270 nan 0.000 0.436 402 F N 1.244 120.561 119.950 -1.054 0.000 2.126 402 F HA -0.235 4.292 4.527 -0.000 0.000 0.299 402 F C 2.466 178.073 175.800 -0.323 0.000 1.096 402 F CA 1.735 59.255 58.000 -0.799 0.000 1.255 402 F CB -0.408 38.079 39.000 -0.855 0.000 0.997 402 F HN -0.114 nan 8.300 nan 0.000 0.479 403 S N 0.334 115.810 115.700 -0.372 0.000 2.355 403 S HA -0.180 4.290 4.470 -0.000 0.000 0.222 403 S C 1.902 176.553 174.600 0.085 0.000 1.031 403 S CA 1.479 59.600 58.200 -0.132 0.000 0.993 403 S CB -0.532 62.822 63.200 0.257 0.000 0.859 403 S HN 0.516 nan 8.310 nan 0.000 0.453 404 N N 1.574 120.303 118.700 0.048 0.000 2.137 404 N HA -0.102 4.637 4.740 -0.000 0.000 0.190 404 N C 1.560 177.073 175.510 0.006 0.000 1.017 404 N CA 1.101 54.191 53.050 0.066 0.000 0.859 404 N CB -0.739 37.780 38.487 0.053 0.000 1.002 404 N HN 0.355 nan 8.380 nan 0.000 0.428 405 L N -0.529 120.664 121.223 -0.050 0.000 2.072 405 L HA -0.008 4.332 4.340 -0.000 0.000 0.205 405 L C 2.113 178.863 176.870 -0.200 0.000 1.079 405 L CA 1.313 56.066 54.840 -0.145 0.000 0.752 405 L CB -0.865 41.195 42.059 0.002 0.000 0.906 405 L HN 0.272 nan 8.230 nan 0.000 0.436 406 W N 1.068 122.201 121.300 -0.279 0.000 2.355 406 W HA -0.265 4.395 4.660 -0.000 0.000 0.309 406 W C 2.691 179.241 176.519 0.053 0.000 1.206 406 W CA 2.610 59.897 57.345 -0.096 0.000 1.284 406 W CB -0.167 29.093 29.460 -0.334 0.000 1.145 406 W HN 0.218 nan 8.180 nan 0.000 0.502 407 K N 0.351 120.844 120.400 0.155 0.000 2.097 407 K HA -0.190 4.129 4.320 -0.000 0.000 0.205 407 K C 2.247 178.803 176.600 -0.073 0.000 1.050 407 K CA 2.146 58.448 56.287 0.026 0.000 0.938 407 K CB -0.594 32.030 32.500 0.207 0.000 0.718 407 K HN 0.190 nan 8.250 nan 0.000 0.442 408 S N -0.559 115.095 115.700 -0.077 0.000 2.402 408 S HA -0.137 4.333 4.470 -0.000 0.000 0.229 408 S C 1.800 176.334 174.600 -0.110 0.000 1.021 408 S CA 0.497 58.637 58.200 -0.100 0.000 0.974 408 S CB -0.535 62.636 63.200 -0.047 0.000 0.800 408 S HN 0.371 nan 8.310 nan 0.000 0.484 409 Y N 1.812 122.100 120.300 -0.021 0.000 2.293 409 Y HA 0.221 4.771 4.550 -0.000 0.000 0.291 409 Y C 2.176 178.002 175.900 -0.122 0.000 1.137 409 Y CA 0.313 58.398 58.100 -0.026 0.000 1.202 409 Y CB -0.528 37.940 38.460 0.014 0.000 0.990 409 Y HN 0.260 nan 8.280 nan 0.000 0.537 410 L N -0.835 120.346 121.223 -0.070 0.000 2.249 410 L HA -0.050 4.290 4.340 -0.000 0.000 0.207 410 L C 2.073 178.868 176.870 -0.126 0.000 1.090 410 L CA 0.771 55.537 54.840 -0.124 0.000 0.802 410 L CB -0.379 41.514 42.059 -0.276 0.000 0.947 410 L HN 0.135 nan 8.230 nan 0.000 0.453 411 E N 0.829 120.941 120.200 -0.147 0.000 2.150 411 E HA -0.073 4.277 4.350 -0.000 0.000 0.193 411 E C 0.057 176.530 176.600 -0.213 0.000 0.985 411 E CA 0.730 57.038 56.400 -0.153 0.000 0.814 411 E CB -0.009 29.610 29.700 -0.135 0.000 0.752 411 E HN 0.575 nan 8.360 nan 0.000 0.466 412 N N 0.810 119.327 118.700 -0.304 0.000 2.750 412 N HA 0.137 4.877 4.740 -0.000 0.000 0.253 412 N C -2.477 172.891 175.510 -0.236 0.000 1.408 412 N CA -1.089 51.699 53.050 -0.436 0.000 0.780 412 N CB 1.523 39.345 38.487 -1.109 0.000 1.191 412 N HN -0.106 nan 8.380 nan 0.000 0.511 413 P HA -0.187 nan 4.420 nan 0.000 0.219 413 P C 1.468 178.826 177.300 0.097 0.000 1.144 413 P CA 1.080 64.193 63.100 0.022 0.000 0.806 413 P CB 0.399 32.089 31.700 -0.017 0.000 0.771 414 A N -0.654 122.217 122.820 0.085 0.000 1.873 414 A HA -0.246 4.074 4.320 -0.000 0.000 0.218 414 A C 1.900 179.687 177.584 0.339 0.000 1.193 414 A CA 1.729 53.877 52.037 0.184 0.000 0.629 414 A CB -1.842 17.278 19.000 0.201 0.000 0.826 414 A HN 0.070 nan 8.150 nan 0.000 0.447 415 F N -0.580 119.448 119.950 0.130 0.000 2.236 415 F HA -0.152 4.375 4.527 -0.000 0.000 0.302 415 F C 2.401 178.337 175.800 0.228 0.000 1.073 415 F CA 0.926 59.042 58.000 0.193 0.000 1.336 415 F CB -0.872 38.274 39.000 0.244 0.000 1.040 415 F HN 0.188 nan 8.300 nan 0.000 0.507 416 M N -1.159 118.645 119.600 0.340 0.000 2.254 416 M HA -0.180 4.300 4.480 -0.000 0.000 0.265 416 M C 2.340 178.674 176.300 0.057 0.000 1.066 416 M CA 0.983 56.311 55.300 0.047 0.000 1.123 416 M CB -0.384 32.198 32.600 -0.031 0.000 1.388 416 M HN 0.141 nan 8.290 nan 0.000 0.425 417 L N 0.179 121.470 121.223 0.113 0.000 2.013 417 L HA -0.289 4.051 4.340 -0.000 0.000 0.212 417 L C 2.461 179.372 176.870 0.068 0.000 1.073 417 L CA 1.105 55.995 54.840 0.083 0.000 0.753 417 L CB -0.531 41.586 42.059 0.096 0.000 0.890 417 L HN 0.387 nan 8.230 nan 0.000 0.432 418 L N -0.158 121.120 121.223 0.092 0.000 2.010 418 L HA -0.320 4.019 4.340 -0.000 0.000 0.219 418 L C 1.506 178.401 176.870 0.042 0.000 1.077 418 L CA 2.235 57.113 54.840 0.063 0.000 0.773 418 L CB -0.667 41.429 42.059 0.061 0.000 0.892 418 L HN 0.432 nan 8.230 nan 0.000 0.436 419 D N -0.707 119.718 120.400 0.042 0.000 2.398 419 D HA 0.223 4.862 4.640 -0.000 0.000 0.210 419 D C 0.691 176.998 176.300 0.012 0.000 1.094 419 D CA -0.034 53.983 54.000 0.027 0.000 0.839 419 D CB 0.523 41.348 40.800 0.041 0.000 0.963 419 D HN 0.258 nan 8.370 nan 0.000 0.506 420 L N 0.687 121.914 121.223 0.008 0.000 2.399 420 L HA 0.337 4.677 4.340 -0.000 0.000 0.266 420 L C 0.723 177.598 176.870 0.009 0.000 1.114 420 L CA -0.260 54.582 54.840 0.003 0.000 0.804 420 L CB 1.057 43.116 42.059 -0.001 0.000 1.146 420 L HN -0.377 nan 8.230 nan 0.000 0.451 421 K N 0.000 120.404 120.400 0.007 0.000 2.780 421 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 421 K CA 0.000 56.291 56.287 0.007 0.000 0.838 421 K CB 0.000 32.502 32.500 0.004 0.000 1.064 421 K HN 0.000 nan 8.250 nan 0.000 0.543