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 1n7n_1_A DATA FIRST_RESID 170 DATA SEQUENCE VKDTYTDRLD DWNGIIAGNQ YYDSKNDQMA KLNQELEGKV ADSLSSISSQ DATA SEQUENCE ADRIYLWEKF SNYKTSANLT ATYRKLEEMA KQVTNPSSRY YQDETVVRTV DATA SEQUENCE RDSMEWMHKH VYNSEKSIVG NWADYEIGTP RAINNTLSLM KEYFSDEEIK DATA SEQUENCE KYTDVIEKFV PDPEHFRKTT DNPFKALGGN LVDMGRVKVI AGLLRKDDQE DATA SEQUENCE ISSTIRSIEQ VFKLVDQGEG FYQDGSYIDH TNVAYTGAYG NVLIDGLSQL DATA SEQUENCE LPVIQKTKNP IDKDKMQTMY HWIDKSFAPL LVNGELMDMS RGRSISRANS DATA SEQUENCE EGHVAAVEVL RGIHRIADMS EGETKQRLQS LVKTIVQSDS YYDVFKNLKT DATA SEQUENCE YKDISLMQSL LSDAGVASVP RTSYLSAFNK MDKTAMYNAE KGFGFGLSLF DATA SEQUENCE SSRTLNYEHM NKENKRGWYT SDGMFYLYNG DLSHYSDGYW PTVNPYKMPG DATA SEQUENCE TTETDAKRAD SDTGKVLPSA FVGTSKLDDA NATATMDFTN WNQTLTAHKS DATA SEQUENCE WFMLKDKIAF LGSNIQNTST DTAATTIDQR KLESSNPYKV YVNDKEASLT DATA SEQUENCE EQEKDYPETQ SVFLESSDSK KNIGYFFFKK SSISMSKALQ KGAWKDINEG DATA SEQUENCE QSDKEVENEF LTISQAHKQN GDSYGYMLIP NVDRATFNQM IKELESSLIE DATA SEQUENCE NNETLQSVYD AKQGVWGIVK YDDSVSTISN QFQVLKRGVY TIRKEGDEYK DATA SEQUENCE IAYYNPETQE SAPDQEVFKK L 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 170 V HA 0.000 nan 4.120 nan 0.000 0.244 170 V C 0.000 176.130 176.094 0.061 0.000 1.182 170 V CA 0.000 62.327 62.300 0.045 0.000 1.235 170 V CB 0.000 31.849 31.823 0.044 0.000 1.184 171 K N 3.952 124.383 120.400 0.051 0.000 2.297 171 K HA 0.732 4.935 4.320 -0.196 0.000 0.286 171 K C -0.667 175.970 176.600 0.063 0.000 1.053 171 K CA 0.269 56.590 56.287 0.056 0.000 0.940 171 K CB 1.688 34.210 32.500 0.037 0.000 1.019 171 K HN 1.143 nan 8.250 nan 0.000 0.475 172 D N -1.285 119.161 120.400 0.076 0.000 2.865 172 D HA -0.018 4.505 4.640 -0.196 0.000 0.343 172 D C 0.732 177.046 176.300 0.022 0.000 1.372 172 D CA -0.491 53.547 54.000 0.064 0.000 0.862 172 D CB -0.198 40.681 40.800 0.133 0.000 1.425 172 D HN 0.281 nan 8.370 nan 0.000 0.501 173 T N -2.758 111.747 114.554 -0.083 0.000 2.881 173 T HA -0.171 4.062 4.350 -0.196 0.000 0.270 173 T C 1.542 176.147 174.700 -0.157 0.000 1.068 173 T CA 1.268 63.272 62.100 -0.160 0.000 1.131 173 T CB -0.815 67.891 68.868 -0.270 0.000 0.871 173 T HN 0.423 nan 8.240 nan 0.000 0.479 174 Y N 2.767 123.076 120.300 0.015 0.000 2.145 174 Y HA -0.074 4.357 4.550 -0.199 0.000 0.286 174 Y C 3.285 179.201 175.900 0.027 0.000 1.145 174 Y CA 1.461 59.569 58.100 0.014 0.000 1.148 174 Y CB -1.263 37.201 38.460 0.007 0.000 0.981 174 Y HN 0.446 nan 8.280 nan 0.000 0.507 175 T N -3.007 111.660 114.554 0.187 0.000 2.951 175 T HA -0.122 4.110 4.350 -0.196 0.000 0.268 175 T C 1.385 176.146 174.700 0.102 0.000 1.073 175 T CA 1.266 63.445 62.100 0.132 0.000 1.134 175 T CB -0.339 68.595 68.868 0.111 0.000 0.884 175 T HN 0.160 nan 8.240 nan 0.000 0.479 176 D N 1.302 121.746 120.400 0.073 0.000 2.149 176 D HA -0.038 4.485 4.640 -0.196 0.000 0.198 176 D C 2.357 178.703 176.300 0.076 0.000 0.990 176 D CA 0.947 54.981 54.000 0.057 0.000 0.839 176 D CB -0.224 40.590 40.800 0.023 0.000 0.948 176 D HN 0.258 nan 8.370 nan 0.000 0.460 177 R N 0.034 120.580 120.500 0.077 0.000 2.090 177 R HA 0.096 4.319 4.340 -0.196 0.000 0.228 177 R C 2.342 178.735 176.300 0.154 0.000 1.110 177 R CA 0.429 56.586 56.100 0.096 0.000 0.973 177 R CB -0.432 29.906 30.300 0.064 0.000 0.869 177 R HN 0.195 nan 8.270 nan 0.000 0.440 178 L N 0.104 121.421 121.223 0.156 0.000 2.217 178 L HA -0.131 4.092 4.340 -0.196 0.000 0.211 178 L C 1.437 178.444 176.870 0.228 0.000 1.107 178 L CA 0.939 55.907 54.840 0.214 0.000 0.783 178 L CB -0.341 41.821 42.059 0.172 0.000 0.919 178 L HN 0.155 nan 8.230 nan 0.000 0.442 179 D N 0.191 120.687 120.400 0.160 0.000 2.097 179 D HA -0.179 4.344 4.640 -0.196 0.000 0.195 179 D C 1.736 178.120 176.300 0.139 0.000 0.989 179 D CA 1.213 55.290 54.000 0.128 0.000 0.827 179 D CB -0.122 40.731 40.800 0.088 0.000 0.966 179 D HN 0.251 nan 8.370 nan 0.000 0.456 180 D N -0.102 120.392 120.400 0.157 0.000 2.104 180 D HA -0.160 4.362 4.640 -0.196 0.000 0.194 180 D C 1.854 178.293 176.300 0.231 0.000 0.994 180 D CA 0.506 54.609 54.000 0.172 0.000 0.830 180 D CB -0.496 40.402 40.800 0.163 0.000 0.959 180 D HN 0.408 nan 8.370 nan 0.000 0.452 181 W N 1.591 122.930 121.300 0.065 0.000 2.338 181 W HA -0.204 4.335 4.660 -0.202 0.000 0.304 181 W C 1.482 178.041 176.519 0.066 0.000 1.212 181 W CA 0.863 58.244 57.345 0.061 0.000 1.264 181 W CB -0.070 29.423 29.460 0.055 0.000 1.142 181 W HN -0.049 nan 8.180 nan 0.000 0.512 182 N N 0.405 119.165 118.700 0.099 0.000 2.166 182 N HA -0.122 4.501 4.740 -0.196 0.000 0.186 182 N C 1.900 177.397 175.510 -0.022 0.000 1.019 182 N CA 1.858 54.904 53.050 -0.006 0.000 0.856 182 N CB -1.290 37.246 38.487 0.083 0.000 0.993 182 N HN 0.269 nan 8.380 nan 0.000 0.426 183 G N 0.473 109.300 108.800 0.046 0.000 2.448 183 G HA2 -0.128 3.715 3.960 -0.196 0.000 0.219 183 G HA3 -0.128 3.715 3.960 -0.196 0.000 0.219 183 G C 1.609 176.586 174.900 0.128 0.000 1.127 183 G CA 0.324 45.501 45.100 0.129 0.000 0.766 183 G HN 0.277 nan 8.290 nan 0.000 0.552 184 I N 0.731 121.278 120.570 -0.038 0.000 2.429 184 I HA 0.067 4.120 4.170 -0.196 0.000 0.247 184 I C 2.494 178.436 176.117 -0.293 0.000 1.099 184 I CA 0.618 61.829 61.300 -0.148 0.000 1.422 184 I CB -0.016 37.884 38.000 -0.167 0.000 1.112 184 I HN 0.269 nan 8.210 nan 0.000 0.430 185 I N -2.018 118.262 120.570 -0.483 0.000 3.419 185 I HA 0.216 4.268 4.170 -0.196 0.000 0.286 185 I C 1.836 177.786 176.117 -0.280 0.000 1.268 185 I CA 0.974 61.986 61.300 -0.481 0.000 1.414 185 I CB -0.038 37.538 38.000 -0.705 0.000 1.074 185 I HN 0.051 nan 8.210 nan 0.000 0.457 186 A N 0.986 123.693 122.820 -0.188 0.000 1.786 186 A HA 0.569 4.772 4.320 -0.196 0.000 0.208 186 A C 1.775 179.342 177.584 -0.029 0.000 1.787 186 A CA 0.618 52.575 52.037 -0.134 0.000 1.125 186 A CB -0.267 18.698 19.000 -0.059 0.000 1.082 186 A HN 0.736 nan 8.150 nan 0.000 0.534 187 G N 0.697 109.570 108.800 0.121 0.000 2.182 187 G HA2 -0.261 3.582 3.960 -0.196 0.000 0.248 187 G HA3 -0.261 3.582 3.960 -0.196 0.000 0.248 187 G C 0.448 175.611 174.900 0.438 0.000 1.042 187 G CA 0.631 45.948 45.100 0.362 0.000 0.775 187 G HN 0.348 nan 8.290 nan 0.000 0.501 188 N N 0.641 119.514 118.700 0.288 0.000 2.205 188 N HA -0.134 4.489 4.740 -0.196 0.000 0.186 188 N C 2.553 178.111 175.510 0.080 0.000 1.015 188 N CA 1.679 54.870 53.050 0.235 0.000 0.862 188 N CB -0.197 38.372 38.487 0.136 0.000 0.986 188 N HN 0.853 nan 8.380 nan 0.000 0.429 189 Q N -0.215 119.543 119.800 -0.069 0.000 2.248 189 Q HA -0.180 4.043 4.340 -0.196 0.000 0.208 189 Q C 0.773 176.601 176.000 -0.286 0.000 0.984 189 Q CA 1.396 57.045 55.803 -0.257 0.000 0.875 189 Q CB -0.712 27.746 28.738 -0.465 0.000 0.910 189 Q HN 0.541 nan 8.270 nan 0.000 0.433 190 Y N -0.819 119.535 120.300 0.089 0.000 2.466 190 Y HA 0.164 4.599 4.550 -0.192 0.000 0.272 190 Y C 0.536 176.423 175.900 -0.021 0.000 1.169 190 Y CA -1.082 57.048 58.100 0.050 0.000 1.285 190 Y CB -0.244 38.269 38.460 0.089 0.000 1.078 190 Y HN 0.076 nan 8.280 nan 0.000 0.523 191 Y N 2.378 122.625 120.300 -0.089 0.000 2.511 191 Y HA 0.224 4.658 4.550 -0.194 0.000 0.332 191 Y C -0.233 175.535 175.900 -0.221 0.000 1.177 191 Y CA -0.388 57.495 58.100 -0.361 0.000 1.422 191 Y CB 0.433 38.560 38.460 -0.554 0.000 1.271 191 Y HN 0.060 nan 8.280 nan 0.000 0.550 192 D N 3.118 122.877 120.400 -1.067 0.000 2.575 192 D HA 0.128 4.651 4.640 -0.196 0.000 0.250 192 D C 0.377 176.121 176.300 -0.928 0.000 1.279 192 D CA -0.024 53.563 54.000 -0.689 0.000 0.925 192 D CB 1.290 41.871 40.800 -0.366 0.000 1.261 192 D HN 0.543 nan 8.370 nan 0.000 0.567 193 S N 3.473 118.816 115.700 -0.594 0.000 2.442 193 S HA -0.153 4.200 4.470 -0.196 0.000 0.236 193 S C 1.266 175.733 174.600 -0.222 0.000 1.007 193 S CA 0.701 58.716 58.200 -0.308 0.000 0.965 193 S CB -0.130 63.047 63.200 -0.039 0.000 0.773 193 S HN 0.502 nan 8.310 nan 0.000 0.504 194 K N 1.273 121.542 120.400 -0.219 0.000 2.459 194 K HA 0.151 4.353 4.320 -0.196 0.000 0.193 194 K C 0.362 176.861 176.600 -0.168 0.000 1.030 194 K CA -0.035 56.160 56.287 -0.154 0.000 1.026 194 K CB -0.178 32.248 32.500 -0.122 0.000 0.809 194 K HN 0.330 nan 8.250 nan 0.000 0.504 195 N N 2.105 120.664 118.700 -0.236 0.000 2.406 195 N HA -0.016 4.607 4.740 -0.196 0.000 0.251 195 N C -0.237 175.159 175.510 -0.191 0.000 1.069 195 N CA 0.191 53.112 53.050 -0.214 0.000 0.947 195 N CB 1.263 39.598 38.487 -0.253 0.000 1.111 195 N HN -0.058 nan 8.380 nan 0.000 0.497 196 D N 1.935 122.239 120.400 -0.160 0.000 2.117 196 D HA -0.145 4.377 4.640 -0.196 0.000 0.197 196 D C 1.495 177.714 176.300 -0.136 0.000 0.987 196 D CA 1.380 55.300 54.000 -0.133 0.000 0.829 196 D CB 0.340 41.062 40.800 -0.129 0.000 0.961 196 D HN 0.564 nan 8.370 nan 0.000 0.460 197 Q N -0.329 119.344 119.800 -0.211 0.000 2.079 197 Q HA -0.026 4.196 4.340 -0.196 0.000 0.200 197 Q C 2.315 178.291 176.000 -0.040 0.000 0.974 197 Q CA 0.863 56.529 55.803 -0.228 0.000 0.840 197 Q CB -0.303 28.101 28.738 -0.556 0.000 0.898 197 Q HN 0.438 nan 8.270 nan 0.000 0.430 198 M N -0.201 119.386 119.600 -0.022 0.000 2.117 198 M HA -0.114 4.249 4.480 -0.196 0.000 0.262 198 M C 2.228 178.676 176.300 0.245 0.000 1.065 198 M CA 1.487 56.874 55.300 0.146 0.000 1.114 198 M CB -0.411 32.120 32.600 -0.116 0.000 1.361 198 M HN 0.138 nan 8.290 nan 0.000 0.408 199 A N 0.255 123.121 122.820 0.077 0.000 1.972 199 A HA -0.193 4.010 4.320 -0.196 0.000 0.219 199 A C 2.147 179.811 177.584 0.133 0.000 1.169 199 A CA 1.781 53.909 52.037 0.152 0.000 0.635 199 A CB -0.604 18.419 19.000 0.037 0.000 0.810 199 A HN 0.442 nan 8.150 nan 0.000 0.446 200 K N -0.863 119.586 120.400 0.083 0.000 2.057 200 K HA -0.107 4.096 4.320 -0.196 0.000 0.206 200 K C 1.877 178.538 176.600 0.101 0.000 1.050 200 K CA 1.382 57.707 56.287 0.063 0.000 0.935 200 K CB -0.232 32.279 32.500 0.019 0.000 0.715 200 K HN 0.373 nan 8.250 nan 0.000 0.439 201 L N 1.951 123.273 121.223 0.166 0.000 2.056 201 L HA -0.149 4.074 4.340 -0.196 0.000 0.207 201 L C 1.896 178.878 176.870 0.187 0.000 1.078 201 L CA 1.730 56.669 54.840 0.164 0.000 0.749 201 L CB -0.883 41.289 42.059 0.189 0.000 0.901 201 L HN 0.290 nan 8.230 nan 0.000 0.433 202 N N -0.986 117.890 118.700 0.293 0.000 2.069 202 N HA -0.269 4.353 4.740 -0.196 0.000 0.191 202 N C 1.862 177.427 175.510 0.092 0.000 1.031 202 N CA 1.364 54.520 53.050 0.176 0.000 0.852 202 N CB 0.026 38.541 38.487 0.048 0.000 1.018 202 N HN 0.387 nan 8.380 nan 0.000 0.423 203 Q N 1.421 121.274 119.800 0.088 0.000 2.124 203 Q HA -0.129 4.094 4.340 -0.196 0.000 0.202 203 Q C 1.760 177.791 176.000 0.051 0.000 0.977 203 Q CA 1.375 57.212 55.803 0.057 0.000 0.850 203 Q CB -0.392 28.374 28.738 0.046 0.000 0.901 203 Q HN 0.516 nan 8.270 nan 0.000 0.429 204 E N -0.582 119.648 120.200 0.049 0.000 2.051 204 E HA -0.186 4.047 4.350 -0.196 0.000 0.192 204 E C 1.822 178.437 176.600 0.025 0.000 0.991 204 E CA 1.075 57.493 56.400 0.029 0.000 0.799 204 E CB -0.151 29.561 29.700 0.020 0.000 0.748 204 E HN 0.376 nan 8.360 nan 0.000 0.449 205 L N 0.876 122.119 121.223 0.033 0.000 2.093 205 L HA -0.148 4.075 4.340 -0.196 0.000 0.208 205 L C 2.614 179.524 176.870 0.065 0.000 1.085 205 L CA 0.849 55.705 54.840 0.026 0.000 0.755 205 L CB -0.319 41.755 42.059 0.025 0.000 0.904 205 L HN 0.141 nan 8.230 nan 0.000 0.435 206 E N 0.221 120.483 120.200 0.103 0.000 2.058 206 E HA -0.186 4.046 4.350 -0.196 0.000 0.194 206 E C 2.187 178.894 176.600 0.179 0.000 0.997 206 E CA 1.501 58.016 56.400 0.192 0.000 0.801 206 E CB -0.427 29.341 29.700 0.114 0.000 0.746 206 E HN 0.532 nan 8.360 nan 0.000 0.450 207 G N 1.456 110.311 108.800 0.092 0.000 2.408 207 G HA2 -0.259 3.583 3.960 -0.196 0.000 0.217 207 G HA3 -0.259 3.583 3.960 -0.196 0.000 0.217 207 G C 1.636 176.555 174.900 0.033 0.000 1.150 207 G CA 0.753 45.891 45.100 0.063 0.000 0.776 207 G HN 0.214 nan 8.290 nan 0.000 0.542 208 K N -0.100 120.304 120.400 0.006 0.000 2.057 208 K HA 0.002 4.205 4.320 -0.196 0.000 0.207 208 K C 2.565 179.124 176.600 -0.068 0.000 1.049 208 K CA 1.044 57.307 56.287 -0.041 0.000 0.931 208 K CB -0.263 32.200 32.500 -0.062 0.000 0.714 208 K HN 0.193 nan 8.250 nan 0.000 0.440 209 V N 1.314 121.185 119.914 -0.072 0.000 2.358 209 V HA -0.238 3.765 4.120 -0.196 0.000 0.246 209 V C 2.318 178.303 176.094 -0.181 0.000 1.047 209 V CA 1.958 64.143 62.300 -0.193 0.000 1.035 209 V CB -0.655 30.950 31.823 -0.363 0.000 0.658 209 V HN 0.358 nan 8.190 nan 0.000 0.452 210 A N 0.103 122.909 122.820 -0.023 0.000 1.883 210 A HA -0.280 3.923 4.320 -0.196 0.000 0.217 210 A C 2.003 179.615 177.584 0.046 0.000 1.186 210 A CA 2.191 54.278 52.037 0.083 0.000 0.624 210 A CB -0.682 18.422 19.000 0.174 0.000 0.822 210 A HN 0.538 nan 8.150 nan 0.000 0.444 211 D N -0.198 120.219 120.400 0.028 0.000 2.117 211 D HA -0.076 4.446 4.640 -0.196 0.000 0.197 211 D C 2.313 178.651 176.300 0.064 0.000 0.987 211 D CA 1.573 55.592 54.000 0.031 0.000 0.829 211 D CB -0.402 40.397 40.800 -0.001 0.000 0.961 211 D HN 0.385 nan 8.370 nan 0.000 0.460 212 S N 0.297 116.013 115.700 0.028 0.000 2.368 212 S HA -0.053 4.299 4.470 -0.196 0.000 0.225 212 S C 2.181 176.999 174.600 0.362 0.000 1.030 212 S CA 0.513 58.802 58.200 0.149 0.000 0.999 212 S CB -0.180 62.999 63.200 -0.034 0.000 0.844 212 S HN 0.240 nan 8.310 nan 0.000 0.459 213 L N 1.678 122.984 121.223 0.138 0.000 2.201 213 L HA -0.056 4.166 4.340 -0.196 0.000 0.212 213 L C 2.498 179.415 176.870 0.078 0.000 1.105 213 L CA 1.231 56.121 54.840 0.084 0.000 0.775 213 L CB -0.549 41.500 42.059 -0.016 0.000 0.913 213 L HN 0.409 nan 8.230 nan 0.000 0.440 214 S N -2.668 113.088 115.700 0.093 0.000 2.501 214 S HA 0.013 4.365 4.470 -0.196 0.000 0.220 214 S C 1.796 176.442 174.600 0.077 0.000 0.997 214 S CA 0.564 58.804 58.200 0.067 0.000 0.919 214 S CB 0.233 63.469 63.200 0.060 0.000 0.778 214 S HN 0.245 nan 8.310 nan 0.000 0.523 215 S N 0.704 116.499 115.700 0.158 0.000 2.497 215 S HA 0.391 4.744 4.470 -0.196 0.000 0.218 215 S C 0.604 175.264 174.600 0.099 0.000 1.023 215 S CA -0.495 57.829 58.200 0.207 0.000 0.913 215 S CB -0.189 63.248 63.200 0.395 0.000 0.800 215 S HN 0.603 nan 8.310 nan 0.000 0.505 216 I N 2.765 123.309 120.570 -0.044 0.000 2.648 216 I HA 0.057 4.109 4.170 -0.196 0.000 0.284 216 I C -0.347 175.515 176.117 -0.425 0.000 1.153 216 I CA 0.025 60.951 61.300 -0.624 0.000 1.426 216 I CB 0.795 38.386 38.000 -0.680 0.000 1.381 216 I HN 0.054 nan 8.210 nan 0.000 0.571 217 S N 5.716 121.115 115.700 -0.500 0.000 2.531 217 S HA 0.218 4.571 4.470 -0.196 0.000 0.279 217 S C 0.028 174.370 174.600 -0.429 0.000 1.305 217 S CA -0.417 57.547 58.200 -0.393 0.000 1.058 217 S CB 0.866 63.798 63.200 -0.445 0.000 0.899 217 S HN 0.782 nan 8.310 nan 0.000 0.493 218 S N 2.813 118.327 115.700 -0.309 0.000 2.874 218 S HA 0.790 5.142 4.470 -0.196 0.000 0.318 218 S C -0.882 173.586 174.600 -0.221 0.000 1.109 218 S CA -0.648 57.386 58.200 -0.277 0.000 0.878 218 S CB 0.566 63.643 63.200 -0.205 0.000 1.307 218 S HN 0.535 nan 8.310 nan 0.000 0.592 219 Q N -0.773 118.928 119.800 -0.165 0.000 3.236 219 Q HA 0.154 4.376 4.340 -0.196 0.000 0.025 219 Q C -0.028 175.898 176.000 -0.123 0.000 1.711 219 Q CA 1.291 57.021 55.803 -0.122 0.000 0.240 219 Q CB -1.112 27.562 28.738 -0.107 0.000 0.585 219 Q HN 2.438 nan 8.270 nan 0.000 0.322 220 A N 3.495 126.271 122.820 -0.074 0.000 2.049 220 A HA -0.194 4.009 4.320 -0.196 0.000 0.263 220 A C 0.257 177.812 177.584 -0.048 0.000 1.316 220 A CA 1.395 53.404 52.037 -0.046 0.000 0.759 220 A CB -1.321 17.654 19.000 -0.042 0.000 1.141 220 A HN 0.985 nan 8.150 nan 0.000 0.325 221 D N -0.702 119.684 120.400 -0.023 0.000 2.808 221 D HA -0.255 4.268 4.640 -0.196 0.000 0.220 221 D C 1.176 177.511 176.300 0.059 0.000 1.215 221 D CA 1.610 55.654 54.000 0.073 0.000 0.608 221 D CB -0.572 40.342 40.800 0.189 0.000 1.005 221 D HN 1.068 nan 8.370 nan 0.000 0.403 222 R N -0.508 119.884 120.500 -0.180 0.000 2.427 222 R HA -0.214 4.009 4.340 -0.196 0.000 0.307 222 R C 1.577 177.834 176.300 -0.071 0.000 0.976 222 R CA 1.236 57.168 56.100 -0.279 0.000 1.069 222 R CB -0.677 29.270 30.300 -0.589 0.000 0.870 222 R HN 0.513 nan 8.270 nan 0.000 0.432 223 I N -2.892 117.567 120.570 -0.185 0.000 3.228 223 I HA 0.157 4.209 4.170 -0.196 0.000 0.279 223 I C 0.085 176.292 176.117 0.150 0.000 1.221 223 I CA 0.023 61.344 61.300 0.035 0.000 1.458 223 I CB 0.135 38.142 38.000 0.012 0.000 1.105 223 I HN 0.591 nan 8.210 nan 0.000 0.445 224 Y N -1.780 118.471 120.300 -0.081 0.000 2.597 224 Y HA 0.607 5.039 4.550 -0.197 0.000 0.340 224 Y C -0.051 175.557 175.900 -0.487 0.000 1.097 224 Y CA -1.613 56.397 58.100 -0.150 0.000 1.037 224 Y CB 0.610 39.077 38.460 0.013 0.000 1.305 224 Y HN -0.228 nan 8.280 nan 0.000 0.463 225 L N 0.114 121.189 121.223 -0.247 0.000 2.127 225 L HA 0.103 4.326 4.340 -0.196 0.000 0.203 225 L C -0.006 176.550 176.870 -0.523 0.000 1.080 225 L CA 0.936 55.416 54.840 -0.601 0.000 0.768 225 L CB 0.189 41.869 42.059 -0.630 0.000 0.924 225 L HN 0.512 nan 8.230 nan 0.000 0.444 226 W N -0.386 120.996 121.300 0.136 0.000 2.883 226 W HA 0.204 4.744 4.660 -0.200 0.000 0.335 226 W C 0.929 177.307 176.519 -0.234 0.000 1.083 226 W CA -0.626 56.764 57.345 0.075 0.000 1.233 226 W CB 1.517 31.034 29.460 0.095 0.000 1.412 226 W HN -0.062 nan 8.180 nan 0.000 0.490 227 E N 2.480 122.554 120.200 -0.210 0.000 2.072 227 E HA -0.191 4.042 4.350 -0.196 0.000 0.191 227 E C 1.919 178.199 176.600 -0.535 0.000 0.985 227 E CA 1.428 57.331 56.400 -0.829 0.000 0.801 227 E CB 0.161 29.687 29.700 -0.290 0.000 0.750 227 E HN 0.415 nan 8.360 nan 0.000 0.452 228 K N -0.251 119.909 120.400 -0.401 0.000 2.442 228 K HA -0.127 4.075 4.320 -0.196 0.000 0.198 228 K C 0.161 176.221 176.600 -0.900 0.000 1.044 228 K CA 0.772 56.670 56.287 -0.648 0.000 0.948 228 K CB -0.241 31.786 32.500 -0.788 0.000 0.762 228 K HN 0.066 nan 8.250 nan 0.000 0.472 229 F N 1.498 121.390 119.950 -0.098 0.000 2.566 229 F HA 0.216 4.626 4.527 -0.195 0.000 0.347 229 F C 0.954 176.731 175.800 -0.038 0.000 1.515 229 F CA -0.786 57.184 58.000 -0.049 0.000 1.103 229 F CB 0.953 39.942 39.000 -0.018 0.000 1.385 229 F HN 0.007 nan 8.300 nan 0.000 0.560 230 S N -1.632 114.038 115.700 -0.050 0.000 2.475 230 S HA 0.058 4.411 4.470 -0.196 0.000 0.224 230 S C 0.702 175.392 174.600 0.150 0.000 1.042 230 S CA -0.040 58.103 58.200 -0.094 0.000 0.935 230 S CB -0.138 62.696 63.200 -0.609 0.000 0.801 230 S HN 0.296 nan 8.310 nan 0.000 0.509 231 N N 1.621 120.394 118.700 0.121 0.000 2.415 231 N HA 0.113 4.735 4.740 -0.196 0.000 0.250 231 N C 0.134 175.773 175.510 0.215 0.000 1.127 231 N CA -0.749 52.398 53.050 0.163 0.000 0.945 231 N CB 0.212 38.752 38.487 0.089 0.000 1.196 231 N HN 0.528 nan 8.380 nan 0.000 0.499 232 Y N 3.783 124.176 120.300 0.155 0.000 2.578 232 Y HA 0.222 4.655 4.550 -0.194 0.000 0.297 232 Y C 1.055 177.056 175.900 0.167 0.000 1.176 232 Y CA 0.681 58.880 58.100 0.166 0.000 1.315 232 Y CB 0.192 38.771 38.460 0.198 0.000 1.031 232 Y HN 0.373 nan 8.280 nan 0.000 0.524 233 K N 0.344 120.633 120.400 -0.184 0.000 2.155 233 K HA 0.001 4.204 4.320 -0.196 0.000 0.203 233 K C 0.279 176.873 176.600 -0.010 0.000 1.052 233 K CA 1.036 57.223 56.287 -0.167 0.000 0.948 233 K CB -0.289 32.141 32.500 -0.116 0.000 0.728 233 K HN 0.197 nan 8.250 nan 0.000 0.448 234 T N 2.193 116.772 114.554 0.043 0.000 2.743 234 T HA 0.024 4.257 4.350 -0.196 0.000 0.290 234 T C 1.253 176.009 174.700 0.093 0.000 0.908 234 T CA -0.165 61.975 62.100 0.066 0.000 1.092 234 T CB 1.155 70.065 68.868 0.070 0.000 0.882 234 T HN 0.221 nan 8.240 nan 0.000 0.531 235 S N 2.967 118.727 115.700 0.100 0.000 2.447 235 S HA -0.088 4.264 4.470 -0.196 0.000 0.233 235 S C 2.341 176.939 174.600 -0.002 0.000 1.006 235 S CA 0.473 58.738 58.200 0.108 0.000 0.957 235 S CB -0.323 62.999 63.200 0.203 0.000 0.773 235 S HN 0.737 nan 8.310 nan 0.000 0.507 236 A N 2.674 125.493 122.820 -0.003 0.000 2.019 236 A HA -0.068 4.135 4.320 -0.196 0.000 0.219 236 A C 2.060 179.612 177.584 -0.054 0.000 1.164 236 A CA 1.441 53.450 52.037 -0.045 0.000 0.644 236 A CB -0.734 18.256 19.000 -0.018 0.000 0.805 236 A HN 0.561 nan 8.150 nan 0.000 0.449 237 N N -0.181 118.540 118.700 0.034 0.000 2.244 237 N HA -0.083 4.540 4.740 -0.196 0.000 0.183 237 N C 1.382 176.889 175.510 -0.005 0.000 1.016 237 N CA 0.980 54.076 53.050 0.076 0.000 0.866 237 N CB -0.415 38.189 38.487 0.196 0.000 0.980 237 N HN 0.371 nan 8.380 nan 0.000 0.430 238 L N 0.739 121.951 121.223 -0.019 0.000 2.027 238 L HA -0.127 4.096 4.340 -0.196 0.000 0.206 238 L C 2.550 179.382 176.870 -0.063 0.000 1.074 238 L CA 1.613 56.423 54.840 -0.050 0.000 0.745 238 L CB -1.250 40.699 42.059 -0.185 0.000 0.898 238 L HN 0.314 nan 8.230 nan 0.000 0.433 239 T N -3.534 110.928 114.554 -0.153 0.000 2.821 239 T HA -0.100 4.133 4.350 -0.196 0.000 0.267 239 T C 1.903 176.467 174.700 -0.227 0.000 1.046 239 T CA 0.888 62.889 62.100 -0.166 0.000 1.139 239 T CB -0.596 68.150 68.868 -0.204 0.000 0.871 239 T HN 0.232 nan 8.240 nan 0.000 0.454 240 A N 1.369 123.961 122.820 -0.380 0.000 1.969 240 A HA 0.028 4.230 4.320 -0.196 0.000 0.218 240 A C 2.567 179.746 177.584 -0.675 0.000 1.169 240 A CA 1.858 53.485 52.037 -0.684 0.000 0.635 240 A CB -1.315 16.907 19.000 -1.297 0.000 0.810 240 A HN 0.541 nan 8.150 nan 0.000 0.445 241 T N -1.335 112.949 114.554 -0.450 0.000 2.701 241 T HA -0.108 4.125 4.350 -0.196 0.000 0.263 241 T C 1.690 176.247 174.700 -0.239 0.000 1.040 241 T CA 1.672 63.603 62.100 -0.282 0.000 1.147 241 T CB -0.427 68.388 68.868 -0.088 0.000 0.865 241 T HN 0.536 nan 8.240 nan 0.000 0.426 242 Y N 1.399 121.608 120.300 -0.152 0.000 2.352 242 Y HA 0.025 4.456 4.550 -0.199 0.000 0.292 242 Y C 2.578 178.384 175.900 -0.157 0.000 1.136 242 Y CA 0.694 58.720 58.100 -0.123 0.000 1.227 242 Y CB -0.225 38.144 38.460 -0.152 0.000 0.991 242 Y HN 0.061 nan 8.280 nan 0.000 0.545 243 R N -0.031 120.419 120.500 -0.084 0.000 2.148 243 R HA -0.119 4.104 4.340 -0.196 0.000 0.227 243 R C 1.988 178.178 176.300 -0.183 0.000 1.103 243 R CA 1.103 57.119 56.100 -0.139 0.000 0.983 243 R CB -0.112 30.070 30.300 -0.197 0.000 0.874 243 R HN 0.284 nan 8.270 nan 0.000 0.451 244 K N 0.442 120.670 120.400 -0.287 0.000 2.148 244 K HA -0.071 4.132 4.320 -0.196 0.000 0.204 244 K C 1.917 178.417 176.600 -0.167 0.000 1.050 244 K CA 1.003 57.082 56.287 -0.346 0.000 0.942 244 K CB 0.022 32.066 32.500 -0.760 0.000 0.724 244 K HN 0.146 nan 8.250 nan 0.000 0.446 245 L N 0.488 121.674 121.223 -0.062 0.000 2.109 245 L HA -0.123 4.099 4.340 -0.196 0.000 0.207 245 L C 2.522 179.404 176.870 0.020 0.000 1.086 245 L CA 1.063 55.922 54.840 0.030 0.000 0.760 245 L CB -0.396 41.721 42.059 0.097 0.000 0.910 245 L HN 0.273 nan 8.230 nan 0.000 0.437 246 E N 0.866 121.069 120.200 0.004 0.000 2.085 246 E HA -0.265 3.967 4.350 -0.196 0.000 0.194 246 E C 1.957 178.543 176.600 -0.023 0.000 0.994 246 E CA 1.529 57.929 56.400 -0.000 0.000 0.801 246 E CB 0.102 29.791 29.700 -0.019 0.000 0.743 246 E HN 0.496 nan 8.360 nan 0.000 0.453 247 E N -0.006 120.159 120.200 -0.059 0.000 2.051 247 E HA -0.209 4.024 4.350 -0.196 0.000 0.192 247 E C 2.200 178.771 176.600 -0.049 0.000 0.991 247 E CA 1.518 57.878 56.400 -0.067 0.000 0.799 247 E CB -0.102 29.537 29.700 -0.102 0.000 0.748 247 E HN 0.360 nan 8.360 nan 0.000 0.449 248 M N 0.288 119.854 119.600 -0.057 0.000 2.108 248 M HA -0.195 4.167 4.480 -0.196 0.000 0.261 248 M C 2.465 178.759 176.300 -0.010 0.000 1.066 248 M CA 1.530 56.794 55.300 -0.061 0.000 1.107 248 M CB -0.242 32.325 32.600 -0.055 0.000 1.356 248 M HN 0.150 nan 8.290 nan 0.000 0.406 249 A N 0.304 123.137 122.820 0.021 0.000 1.930 249 A HA -0.154 4.049 4.320 -0.196 0.000 0.217 249 A C 2.083 179.711 177.584 0.073 0.000 1.175 249 A CA 1.550 53.624 52.037 0.062 0.000 0.627 249 A CB -0.472 18.584 19.000 0.094 0.000 0.815 249 A HN 0.420 nan 8.150 nan 0.000 0.443 250 K N -0.765 119.662 120.400 0.045 0.000 2.063 250 K HA -0.160 4.043 4.320 -0.196 0.000 0.208 250 K C 2.212 178.862 176.600 0.082 0.000 1.048 250 K CA 1.516 57.831 56.287 0.048 0.000 0.928 250 K CB -0.101 32.399 32.500 0.000 0.000 0.713 250 K HN 0.386 nan 8.250 nan 0.000 0.442 251 Q N 0.150 119.999 119.800 0.082 0.000 2.212 251 Q HA -0.020 4.202 4.340 -0.196 0.000 0.199 251 Q C 2.164 178.275 176.000 0.184 0.000 0.950 251 Q CA 0.629 56.511 55.803 0.131 0.000 0.863 251 Q CB -0.281 28.560 28.738 0.173 0.000 0.944 251 Q HN 0.098 nan 8.270 nan 0.000 0.465 252 V N 1.860 121.857 119.914 0.139 0.000 2.759 252 V HA -0.147 3.856 4.120 -0.196 0.000 0.256 252 V C 1.738 177.959 176.094 0.211 0.000 1.080 252 V CA 2.161 64.533 62.300 0.120 0.000 1.101 252 V CB -0.326 31.478 31.823 -0.033 0.000 0.698 252 V HN 0.545 nan 8.190 nan 0.000 0.477 253 T N -3.377 111.327 114.554 0.250 0.000 3.092 253 T HA 0.132 4.364 4.350 -0.196 0.000 0.258 253 T C 0.561 175.449 174.700 0.313 0.000 1.031 253 T CA -0.080 62.217 62.100 0.329 0.000 0.925 253 T CB -0.697 68.317 68.868 0.243 0.000 1.036 253 T HN 0.506 nan 8.240 nan 0.000 0.544 254 N N 1.941 120.783 118.700 0.237 0.000 2.462 254 N HA 0.268 4.891 4.740 -0.196 0.000 0.242 254 N C -2.069 173.285 175.510 -0.261 0.000 1.010 254 N CA -2.300 50.750 53.050 0.000 0.000 0.939 254 N CB 1.548 40.006 38.487 -0.049 0.000 1.127 254 N HN -0.121 nan 8.380 nan 0.000 0.509 255 P HA -0.126 nan 4.420 nan 0.000 0.218 255 P C 0.442 177.391 177.300 -0.584 0.000 1.146 255 P CA 1.214 63.558 63.100 -1.260 0.000 0.820 255 P CB 0.314 31.562 31.700 -0.752 0.000 0.778 256 S N -1.871 113.625 115.700 -0.340 0.000 2.558 256 S HA 0.046 4.399 4.470 -0.196 0.000 0.217 256 S C 1.017 175.509 174.600 -0.179 0.000 0.975 256 S CA -0.048 58.032 58.200 -0.200 0.000 0.912 256 S CB -0.411 62.734 63.200 -0.092 0.000 0.776 256 S HN 0.132 nan 8.310 nan 0.000 0.526 257 S N 1.777 117.378 115.700 -0.165 0.000 2.576 257 S HA 0.111 4.463 4.470 -0.196 0.000 0.276 257 S C 1.428 175.986 174.600 -0.070 0.000 1.339 257 S CA -0.694 57.458 58.200 -0.081 0.000 1.039 257 S CB 0.588 63.812 63.200 0.039 0.000 0.902 257 S HN 0.554 nan 8.310 nan 0.000 0.516 258 R N 2.540 122.916 120.500 -0.207 0.000 2.237 258 R HA -0.046 4.177 4.340 -0.196 0.000 0.219 258 R C 0.302 176.390 176.300 -0.353 0.000 1.080 258 R CA 1.480 57.395 56.100 -0.308 0.000 0.995 258 R CB -0.459 29.576 30.300 -0.441 0.000 0.875 258 R HN 0.717 nan 8.270 nan 0.000 0.462 259 Y N -0.559 119.772 120.300 0.050 0.000 2.461 259 Y HA 0.132 4.562 4.550 -0.199 0.000 0.277 259 Y C 0.034 175.984 175.900 0.083 0.000 1.182 259 Y CA -1.422 56.705 58.100 0.045 0.000 1.276 259 Y CB -0.549 37.924 38.460 0.022 0.000 1.087 259 Y HN -0.006 nan 8.280 nan 0.000 0.519 260 Y N 2.928 123.263 120.300 0.058 0.000 2.802 260 Y HA -0.083 4.360 4.550 -0.179 0.000 0.333 260 Y C 1.003 176.936 175.900 0.055 0.000 1.244 260 Y CA -0.053 58.077 58.100 0.051 0.000 1.558 260 Y CB -0.169 38.303 38.460 0.021 0.000 1.233 260 Y HN 0.413 nan 8.280 nan 0.000 0.547 261 Q N 2.022 121.638 119.800 -0.306 0.000 2.461 261 Q HA -0.365 3.858 4.340 -0.196 0.000 0.264 261 Q C -0.351 175.571 176.000 -0.130 0.000 1.085 261 Q CA 1.274 56.901 55.803 -0.293 0.000 1.006 261 Q CB -1.088 27.361 28.738 -0.481 0.000 1.437 261 Q HN 0.812 nan 8.270 nan 0.000 0.514 262 D N 0.625 120.996 120.400 -0.049 0.000 2.390 262 D HA 0.000 4.523 4.640 -0.196 0.000 0.249 262 D C 1.162 177.434 176.300 -0.047 0.000 1.144 262 D CA 0.583 54.583 54.000 0.001 0.000 0.880 262 D CB 0.858 41.724 40.800 0.110 0.000 1.182 262 D HN 0.334 nan 8.370 nan 0.000 0.451 263 E N 1.999 122.179 120.200 -0.035 0.000 2.110 263 E HA -0.187 4.046 4.350 -0.196 0.000 0.193 263 E C 1.487 178.055 176.600 -0.053 0.000 0.988 263 E CA 1.472 57.842 56.400 -0.049 0.000 0.804 263 E CB -0.349 29.335 29.700 -0.027 0.000 0.745 263 E HN 0.383 nan 8.360 nan 0.000 0.458 264 T N 0.331 114.869 114.554 -0.028 0.000 2.746 264 T HA -0.088 4.145 4.350 -0.196 0.000 0.267 264 T C 1.925 176.593 174.700 -0.053 0.000 1.039 264 T CA 1.399 63.481 62.100 -0.031 0.000 1.142 264 T CB -0.258 68.607 68.868 -0.005 0.000 0.866 264 T HN 0.059 nan 8.240 nan 0.000 0.444 265 V N 1.091 120.972 119.914 -0.054 0.000 2.379 265 V HA -0.109 3.893 4.120 -0.196 0.000 0.245 265 V C 2.642 178.661 176.094 -0.126 0.000 1.044 265 V CA 1.112 63.360 62.300 -0.087 0.000 1.036 265 V CB -0.635 31.141 31.823 -0.078 0.000 0.664 265 V HN 0.298 nan 8.190 nan 0.000 0.453 266 V N 0.509 120.309 119.914 -0.191 0.000 2.295 266 V HA -0.284 3.719 4.120 -0.196 0.000 0.246 266 V C 2.603 178.578 176.094 -0.199 0.000 1.049 266 V CA 2.549 64.666 62.300 -0.305 0.000 1.024 266 V CB -0.821 30.729 31.823 -0.455 0.000 0.648 266 V HN 0.552 nan 8.190 nan 0.000 0.447 267 R N -0.231 120.188 120.500 -0.134 0.000 2.120 267 R HA -0.162 4.060 4.340 -0.196 0.000 0.234 267 R C 2.221 178.485 176.300 -0.061 0.000 1.123 267 R CA 2.025 58.073 56.100 -0.087 0.000 0.975 267 R CB -0.482 29.781 30.300 -0.062 0.000 0.866 267 R HN 0.520 nan 8.270 nan 0.000 0.446 268 T N 0.602 115.118 114.554 -0.063 0.000 2.746 268 T HA -0.080 4.153 4.350 -0.196 0.000 0.267 268 T C 1.843 176.536 174.700 -0.013 0.000 1.039 268 T CA 1.486 63.556 62.100 -0.050 0.000 1.142 268 T CB -0.105 68.732 68.868 -0.052 0.000 0.866 268 T HN 0.051 nan 8.240 nan 0.000 0.444 269 V N 1.386 121.299 119.914 -0.000 0.000 2.295 269 V HA -0.175 3.828 4.120 -0.196 0.000 0.246 269 V C 2.625 178.794 176.094 0.126 0.000 1.049 269 V CA 1.665 64.007 62.300 0.071 0.000 1.024 269 V CB -0.550 31.324 31.823 0.085 0.000 0.648 269 V HN 0.364 nan 8.190 nan 0.000 0.447 270 R N 0.082 120.621 120.500 0.065 0.000 2.083 270 R HA -0.170 4.053 4.340 -0.196 0.000 0.237 270 R C 2.033 178.409 176.300 0.126 0.000 1.137 270 R CA 1.924 58.074 56.100 0.083 0.000 0.951 270 R CB -0.437 29.789 30.300 -0.123 0.000 0.851 270 R HN 0.508 nan 8.270 nan 0.000 0.434 271 D N -0.425 120.017 120.400 0.071 0.000 2.277 271 D HA -0.021 4.502 4.640 -0.196 0.000 0.208 271 D C 1.683 178.050 176.300 0.111 0.000 0.962 271 D CA 0.846 54.903 54.000 0.096 0.000 0.865 271 D CB 0.023 40.850 40.800 0.045 0.000 0.939 271 D HN 0.022 nan 8.370 nan 0.000 0.510 272 S N 0.011 115.748 115.700 0.062 0.000 2.406 272 S HA -0.013 4.339 4.470 -0.196 0.000 0.228 272 S C 1.890 176.550 174.600 0.100 0.000 1.020 272 S CA 0.527 58.757 58.200 0.049 0.000 0.965 272 S CB 0.092 63.296 63.200 0.006 0.000 0.798 272 S HN 0.197 nan 8.310 nan 0.000 0.488 273 M N 0.931 120.561 119.600 0.051 0.000 2.175 273 M HA -0.003 4.360 4.480 -0.196 0.000 0.264 273 M C 2.183 178.476 176.300 -0.013 0.000 1.063 273 M CA 1.270 56.512 55.300 -0.097 0.000 1.119 273 M CB -1.203 31.112 32.600 -0.474 0.000 1.377 273 M HN 0.208 nan 8.290 nan 0.000 0.415 274 E N -0.398 119.901 120.200 0.165 0.000 2.051 274 E HA -0.219 4.014 4.350 -0.196 0.000 0.192 274 E C 1.855 178.690 176.600 0.392 0.000 0.991 274 E CA 1.648 58.292 56.400 0.407 0.000 0.799 274 E CB -0.431 29.492 29.700 0.371 0.000 0.748 274 E HN 0.482 nan 8.360 nan 0.000 0.449 275 W N 0.049 121.440 121.300 0.150 0.000 2.355 275 W HA -0.156 4.384 4.660 -0.200 0.000 0.309 275 W C 1.979 178.586 176.519 0.147 0.000 1.206 275 W CA 1.837 59.256 57.345 0.124 0.000 1.284 275 W CB -0.127 29.317 29.460 -0.027 0.000 1.145 275 W HN 0.076 nan 8.180 nan 0.000 0.502 276 M N -0.624 119.216 119.600 0.401 0.000 2.159 276 M HA -0.201 4.162 4.480 -0.196 0.000 0.263 276 M C 2.038 178.486 176.300 0.247 0.000 1.063 276 M CA 2.124 57.584 55.300 0.266 0.000 1.110 276 M CB -1.956 30.727 32.600 0.139 0.000 1.374 276 M HN 0.264 nan 8.290 nan 0.000 0.411 277 H N 1.481 120.694 119.070 0.238 0.000 2.353 277 H HA -0.168 4.273 4.556 -0.191 0.000 0.300 277 H C 1.932 177.321 175.328 0.101 0.000 1.090 277 H CA 2.547 58.749 56.048 0.258 0.000 1.327 277 H CB -0.057 29.950 29.762 0.408 0.000 1.383 277 H HN 0.446 nan 8.280 nan 0.000 0.508 278 K N -1.708 118.530 120.400 -0.269 0.000 2.356 278 K HA -0.010 4.193 4.320 -0.196 0.000 0.195 278 K C 1.168 177.445 176.600 -0.539 0.000 1.037 278 K CA 0.894 56.903 56.287 -0.464 0.000 1.014 278 K CB 0.138 32.472 32.500 -0.277 0.000 0.815 278 K HN 0.420 nan 8.250 nan 0.000 0.507 279 H N -0.709 118.044 119.070 -0.527 0.000 2.855 279 H HA 0.199 4.637 4.556 -0.197 0.000 0.259 279 H C 1.162 176.164 175.328 -0.543 0.000 0.972 279 H CA 0.797 56.453 56.048 -0.653 0.000 1.213 279 H CB 1.368 30.349 29.762 -1.301 0.000 1.451 279 H HN 0.065 nan 8.280 nan 0.000 0.484 280 V N -1.051 118.702 119.914 -0.269 0.000 3.141 280 V HA 0.040 4.043 4.120 -0.196 0.000 0.225 280 V C -0.660 175.505 176.094 0.117 0.000 1.352 280 V CA 0.118 62.253 62.300 -0.276 0.000 1.316 280 V CB 1.019 32.766 31.823 -0.126 0.000 1.126 280 V HN 0.146 nan 8.190 nan 0.000 0.493 281 Y N 4.182 124.538 120.300 0.093 0.000 2.445 281 Y HA 0.590 5.021 4.550 -0.198 0.000 0.332 281 Y C -0.508 175.544 175.900 0.253 0.000 1.037 281 Y CA -1.169 57.071 58.100 0.234 0.000 1.296 281 Y CB 0.681 39.306 38.460 0.275 0.000 1.099 281 Y HN 0.468 nan 8.280 nan 0.000 0.496 282 N N 1.151 119.838 118.700 -0.023 0.000 2.972 282 N HA 0.214 4.837 4.740 -0.196 0.000 0.262 282 N C -0.254 175.196 175.510 -0.101 0.000 1.478 282 N CA -0.752 52.264 53.050 -0.057 0.000 0.841 282 N CB 1.525 39.956 38.487 -0.092 0.000 1.512 282 N HN 0.229 nan 8.380 nan 0.000 0.548 283 S N -0.002 115.626 115.700 -0.120 0.000 2.419 283 S HA -0.117 4.236 4.470 -0.196 0.000 0.235 283 S C 1.018 175.509 174.600 -0.182 0.000 1.019 283 S CA 1.330 59.402 58.200 -0.214 0.000 0.982 283 S CB -0.308 62.804 63.200 -0.147 0.000 0.789 283 S HN 0.519 nan 8.310 nan 0.000 0.490 284 E N 1.050 121.195 120.200 -0.092 0.000 2.347 284 E HA 0.076 4.308 4.350 -0.196 0.000 0.196 284 E C 0.541 177.147 176.600 0.009 0.000 1.008 284 E CA 0.621 56.990 56.400 -0.052 0.000 0.852 284 E CB 0.104 29.777 29.700 -0.044 0.000 0.783 284 E HN 0.260 nan 8.360 nan 0.000 0.505 285 K N 0.197 120.643 120.400 0.078 0.000 2.107 285 K HA 0.374 4.576 4.320 -0.196 0.000 0.251 285 K C 0.145 176.925 176.600 0.300 0.000 1.012 285 K CA -0.194 56.243 56.287 0.249 0.000 0.920 285 K CB 1.350 34.116 32.500 0.444 0.000 1.033 285 K HN -0.155 nan 8.250 nan 0.000 0.478 286 S N 0.192 116.077 115.700 0.308 0.000 2.638 286 S HA 0.484 4.836 4.470 -0.196 0.000 0.302 286 S C 0.182 174.808 174.600 0.045 0.000 1.096 286 S CA -0.812 57.545 58.200 0.261 0.000 0.953 286 S CB 1.136 64.404 63.200 0.113 0.000 1.107 286 S HN 0.380 nan 8.310 nan 0.000 0.503 287 I N 2.059 122.520 120.570 -0.181 0.000 2.668 287 I HA 0.090 4.143 4.170 -0.196 0.000 0.285 287 I C -0.778 175.070 176.117 -0.447 0.000 1.168 287 I CA 0.266 61.066 61.300 -0.832 0.000 1.424 287 I CB 0.191 37.914 38.000 -0.461 0.000 1.377 287 I HN 0.151 nan 8.210 nan 0.000 0.560 288 V N 6.612 126.249 119.914 -0.462 0.000 2.482 288 V HA 0.755 4.758 4.120 -0.196 0.000 0.295 288 V C 0.554 176.651 176.094 0.004 0.000 1.026 288 V CA 0.208 62.442 62.300 -0.110 0.000 0.856 288 V CB 0.617 32.415 31.823 -0.041 0.000 1.001 288 V HN 1.163 nan 8.190 nan 0.000 0.424 289 G N 5.364 114.166 108.800 0.004 0.000 2.754 289 G HA2 -0.218 3.625 3.960 -0.196 0.000 0.241 289 G HA3 -0.218 3.625 3.960 -0.196 0.000 0.241 289 G C -0.144 174.787 174.900 0.052 0.000 1.281 289 G CA 0.199 45.325 45.100 0.044 0.000 0.971 289 G HN 0.846 nan 8.290 nan 0.000 0.569 290 N N 1.930 120.666 118.700 0.061 0.000 2.414 290 N HA 0.259 4.882 4.740 -0.196 0.000 0.256 290 N C 1.579 177.091 175.510 0.003 0.000 1.029 290 N CA -0.103 52.944 53.050 -0.006 0.000 0.948 290 N CB 0.207 38.627 38.487 -0.111 0.000 1.102 290 N HN 0.755 nan 8.380 nan 0.000 0.496 291 W N 3.800 125.123 121.300 0.038 0.000 2.331 291 W HA -0.205 4.337 4.660 -0.196 0.000 0.291 291 W C 0.826 177.394 176.519 0.082 0.000 1.214 291 W CA 1.155 58.531 57.345 0.052 0.000 1.228 291 W CB -1.210 28.292 29.460 0.070 0.000 1.135 291 W HN 0.550 nan 8.180 nan 0.000 0.537 292 A N 1.351 123.410 122.820 -1.269 0.000 2.015 292 A HA -0.192 4.011 4.320 -0.196 0.000 0.219 292 A C 1.826 179.110 177.584 -0.500 0.000 1.163 292 A CA 1.870 53.134 52.037 -1.289 0.000 0.646 292 A CB -0.820 17.347 19.000 -1.389 0.000 0.806 292 A HN 0.223 nan 8.150 nan 0.000 0.448 293 D N -1.378 118.839 120.400 -0.305 0.000 2.144 293 D HA -0.120 4.403 4.640 -0.196 0.000 0.200 293 D C 1.464 177.636 176.300 -0.213 0.000 0.978 293 D CA 1.256 55.126 54.000 -0.218 0.000 0.833 293 D CB -0.228 40.474 40.800 -0.164 0.000 0.961 293 D HN 0.597 nan 8.370 nan 0.000 0.470 294 Y N 1.219 121.409 120.300 -0.184 0.000 2.373 294 Y HA -0.017 4.417 4.550 -0.194 0.000 0.293 294 Y C 2.054 177.934 175.900 -0.034 0.000 1.129 294 Y CA 0.871 58.860 58.100 -0.184 0.000 1.226 294 Y CB 0.258 38.459 38.460 -0.431 0.000 1.000 294 Y HN 0.017 nan 8.280 nan 0.000 0.549 295 E N -1.804 118.510 120.200 0.189 0.000 2.434 295 E HA 0.083 4.315 4.350 -0.196 0.000 0.207 295 E C 0.961 177.698 176.600 0.227 0.000 0.929 295 E CA 0.241 56.837 56.400 0.327 0.000 1.001 295 E CB 0.590 30.636 29.700 0.577 0.000 1.016 295 E HN 0.255 nan 8.360 nan 0.000 0.502 296 I N -0.356 120.225 120.570 0.019 0.000 3.632 296 I HA 0.139 4.192 4.170 -0.196 0.000 0.246 296 I C 2.332 178.402 176.117 -0.079 0.000 1.125 296 I CA 0.950 62.234 61.300 -0.027 0.000 1.519 296 I CB -1.380 36.522 38.000 -0.163 0.000 1.555 296 I HN 0.054 nan 8.210 nan 0.000 0.452 297 G N 0.894 109.599 108.800 -0.159 0.000 2.421 297 G HA2 -0.198 3.645 3.960 -0.196 0.000 0.216 297 G HA3 -0.198 3.645 3.960 -0.196 0.000 0.216 297 G C 1.622 176.412 174.900 -0.183 0.000 1.171 297 G CA 1.722 46.722 45.100 -0.167 0.000 0.775 297 G HN 0.316 nan 8.290 nan 0.000 0.543 298 T N 1.715 116.113 114.554 -0.260 0.000 2.770 298 T HA -0.012 4.220 4.350 -0.196 0.000 0.263 298 T C 0.169 174.652 174.700 -0.362 0.000 1.039 298 T CA 1.381 63.236 62.100 -0.408 0.000 1.142 298 T CB -0.738 67.690 68.868 -0.734 0.000 0.868 298 T HN 0.207 nan 8.240 nan 0.000 0.435 299 P HA -0.029 nan 4.420 nan 0.000 0.216 299 P C 1.432 178.706 177.300 -0.044 0.000 1.150 299 P CA 1.124 64.190 63.100 -0.056 0.000 0.837 299 P CB -0.018 31.728 31.700 0.076 0.000 0.786 300 R N -0.559 119.923 120.500 -0.031 0.000 2.081 300 R HA -0.045 4.178 4.340 -0.196 0.000 0.235 300 R C 2.282 178.586 176.300 0.007 0.000 1.131 300 R CA 1.590 57.702 56.100 0.020 0.000 0.960 300 R CB -0.959 29.358 30.300 0.028 0.000 0.856 300 R HN 0.151 nan 8.270 nan 0.000 0.436 301 A N 0.908 123.691 122.820 -0.062 0.000 1.929 301 A HA -0.083 4.120 4.320 -0.196 0.000 0.216 301 A C 2.108 179.661 177.584 -0.051 0.000 1.176 301 A CA 0.978 52.985 52.037 -0.050 0.000 0.628 301 A CB -0.348 18.618 19.000 -0.057 0.000 0.816 301 A HN 0.162 nan 8.150 nan 0.000 0.444 302 I N 0.075 120.550 120.570 -0.158 0.000 2.179 302 I HA -0.254 3.799 4.170 -0.196 0.000 0.242 302 I C 2.130 178.217 176.117 -0.050 0.000 1.088 302 I CA 1.138 62.348 61.300 -0.150 0.000 1.357 302 I CB -0.454 37.389 38.000 -0.260 0.000 1.051 302 I HN 0.292 nan 8.210 nan 0.000 0.409 303 N N 1.190 119.882 118.700 -0.014 0.000 2.104 303 N HA -0.176 4.447 4.740 -0.196 0.000 0.190 303 N C 1.559 177.133 175.510 0.107 0.000 1.024 303 N CA 1.390 54.461 53.050 0.035 0.000 0.853 303 N CB -0.602 37.911 38.487 0.044 0.000 1.008 303 N HN 0.346 nan 8.380 nan 0.000 0.424 304 N N -0.022 118.764 118.700 0.143 0.000 2.216 304 N HA -0.034 4.589 4.740 -0.196 0.000 0.183 304 N C 1.624 177.205 175.510 0.118 0.000 1.017 304 N CA 0.897 54.063 53.050 0.193 0.000 0.861 304 N CB -0.688 37.886 38.487 0.145 0.000 0.986 304 N HN 0.227 nan 8.380 nan 0.000 0.428 305 T N 1.716 116.312 114.554 0.070 0.000 2.708 305 T HA -0.002 4.231 4.350 -0.196 0.000 0.266 305 T C 2.064 176.801 174.700 0.062 0.000 1.037 305 T CA 0.773 62.911 62.100 0.065 0.000 1.146 305 T CB -0.277 68.620 68.868 0.048 0.000 0.865 305 T HN 0.131 nan 8.240 nan 0.000 0.435 306 L N 0.714 121.923 121.223 -0.022 0.000 2.093 306 L HA -0.062 4.160 4.340 -0.196 0.000 0.208 306 L C 2.868 179.779 176.870 0.069 0.000 1.085 306 L CA 0.892 55.681 54.840 -0.085 0.000 0.755 306 L CB -0.594 41.362 42.059 -0.172 0.000 0.904 306 L HN 0.267 nan 8.230 nan 0.000 0.435 307 S N 0.184 115.955 115.700 0.119 0.000 2.368 307 S HA -0.118 4.235 4.470 -0.196 0.000 0.225 307 S C 1.993 176.705 174.600 0.187 0.000 1.030 307 S CA 1.160 59.468 58.200 0.180 0.000 0.999 307 S CB -0.124 63.256 63.200 0.299 0.000 0.844 307 S HN 0.282 nan 8.310 nan 0.000 0.459 308 L N 0.253 121.582 121.223 0.176 0.000 2.072 308 L HA 0.129 4.351 4.340 -0.196 0.000 0.205 308 L C 1.994 178.999 176.870 0.225 0.000 1.079 308 L CA 1.007 55.949 54.840 0.169 0.000 0.752 308 L CB -0.202 41.936 42.059 0.131 0.000 0.906 308 L HN 0.331 nan 8.230 nan 0.000 0.436 309 M N 0.011 119.780 119.600 0.280 0.000 2.738 309 M HA 0.039 4.402 4.480 -0.196 0.000 0.295 309 M C 1.468 178.063 176.300 0.490 0.000 1.266 309 M CA 0.012 55.582 55.300 0.449 0.000 0.985 309 M CB 0.266 33.167 32.600 0.501 0.000 1.365 309 M HN 0.147 nan 8.290 nan 0.000 0.492 310 K N -0.043 120.540 120.400 0.305 0.000 2.209 310 K HA -0.124 4.079 4.320 -0.196 0.000 0.204 310 K C 0.734 177.451 176.600 0.194 0.000 1.048 310 K CA 1.271 57.708 56.287 0.250 0.000 0.940 310 K CB -0.138 32.458 32.500 0.160 0.000 0.729 310 K HN 0.437 nan 8.250 nan 0.000 0.451 311 E N -0.155 120.096 120.200 0.085 0.000 2.502 311 E HA -0.061 4.171 4.350 -0.196 0.000 0.194 311 E C 0.297 176.714 176.600 -0.305 0.000 1.062 311 E CA 0.406 56.727 56.400 -0.133 0.000 0.867 311 E CB 0.055 29.601 29.700 -0.257 0.000 0.888 311 E HN 0.476 nan 8.360 nan 0.000 0.510 312 Y N -1.392 118.958 120.300 0.082 0.000 2.445 312 Y HA 0.231 4.781 4.550 -0.000 0.000 0.247 312 Y C 0.190 175.961 175.900 -0.214 0.000 1.129 312 Y CA -0.241 57.814 58.100 -0.075 0.000 1.251 312 Y CB 0.620 38.993 38.460 -0.145 0.000 1.176 312 Y HN -0.122 nan 8.280 nan 0.000 0.522 313 F N -0.206 119.848 119.950 0.174 0.000 2.538 313 F HA 0.456 4.876 4.527 -0.179 0.000 0.325 313 F C 0.582 176.433 175.800 0.085 0.000 1.066 313 F CA -1.472 56.615 58.000 0.146 0.000 0.946 313 F CB 1.359 40.462 39.000 0.172 0.000 1.199 313 F HN -0.287 nan 8.300 nan 0.000 0.473 314 S N 0.109 115.965 115.700 0.259 0.000 2.617 314 S HA 0.175 4.528 4.470 -0.196 0.000 0.269 314 S C 0.471 175.146 174.600 0.126 0.000 1.292 314 S CA -0.758 57.526 58.200 0.141 0.000 1.010 314 S CB 1.072 64.322 63.200 0.083 0.000 0.944 314 S HN 0.594 nan 8.310 nan 0.000 0.536 315 D N 1.113 121.552 120.400 0.065 0.000 2.182 315 D HA -0.082 4.440 4.640 -0.196 0.000 0.201 315 D C 1.590 177.886 176.300 -0.007 0.000 0.986 315 D CA 1.396 55.411 54.000 0.025 0.000 0.847 315 D CB -0.217 40.585 40.800 0.004 0.000 0.942 315 D HN 0.681 nan 8.370 nan 0.000 0.467 316 E N 0.705 120.899 120.200 -0.010 0.000 2.152 316 E HA -0.075 4.157 4.350 -0.196 0.000 0.192 316 E C 1.942 178.482 176.600 -0.100 0.000 0.983 316 E CA 0.575 56.945 56.400 -0.050 0.000 0.818 316 E CB -0.179 29.497 29.700 -0.041 0.000 0.758 316 E HN 0.416 nan 8.360 nan 0.000 0.467 317 E N 0.101 120.268 120.200 -0.054 0.000 2.107 317 E HA -0.071 4.162 4.350 -0.196 0.000 0.191 317 E C 1.974 178.466 176.600 -0.180 0.000 0.982 317 E CA 0.593 56.903 56.400 -0.151 0.000 0.809 317 E CB -0.068 29.748 29.700 0.194 0.000 0.756 317 E HN 0.247 nan 8.360 nan 0.000 0.459 318 I N 1.050 121.607 120.570 -0.021 0.000 2.315 318 I HA -0.256 3.796 4.170 -0.196 0.000 0.248 318 I C 2.486 178.566 176.117 -0.062 0.000 1.117 318 I CA 1.006 62.289 61.300 -0.029 0.000 1.404 318 I CB -0.061 37.933 38.000 -0.009 0.000 1.071 318 I HN -0.008 nan 8.210 nan 0.000 0.419 319 K N 1.452 121.799 120.400 -0.089 0.000 2.025 319 K HA -0.225 3.978 4.320 -0.196 0.000 0.207 319 K C 2.276 178.797 176.600 -0.131 0.000 1.049 319 K CA 1.418 57.648 56.287 -0.095 0.000 0.933 319 K CB -0.098 32.349 32.500 -0.089 0.000 0.714 319 K HN 0.005 nan 8.250 nan 0.000 0.438 320 K N -0.353 119.904 120.400 -0.238 0.000 2.074 320 K HA -0.200 4.002 4.320 -0.196 0.000 0.209 320 K C 1.627 178.027 176.600 -0.332 0.000 1.048 320 K CA 1.689 57.758 56.287 -0.364 0.000 0.926 320 K CB -0.144 31.987 32.500 -0.615 0.000 0.713 320 K HN 0.252 nan 8.250 nan 0.000 0.444 321 Y N 0.300 120.514 120.300 -0.143 0.000 2.544 321 Y HA -0.019 4.407 4.550 -0.207 0.000 0.286 321 Y C 2.245 178.125 175.900 -0.033 0.000 1.141 321 Y CA 1.221 59.261 58.100 -0.100 0.000 1.299 321 Y CB -0.106 38.293 38.460 -0.101 0.000 1.030 321 Y HN 0.250 nan 8.280 nan 0.000 0.543 322 T N -4.711 109.887 114.554 0.073 0.000 3.040 322 T HA 0.029 4.261 4.350 -0.196 0.000 0.250 322 T C 1.204 175.923 174.700 0.032 0.000 1.058 322 T CA 0.297 62.428 62.100 0.051 0.000 0.988 322 T CB -0.004 68.871 68.868 0.013 0.000 0.993 322 T HN -0.013 nan 8.240 nan 0.000 0.519 323 D N 1.655 122.059 120.400 0.006 0.000 2.149 323 D HA -0.091 4.432 4.640 -0.196 0.000 0.198 323 D C 2.162 178.455 176.300 -0.011 0.000 0.990 323 D CA 0.756 54.749 54.000 -0.013 0.000 0.839 323 D CB -0.483 40.301 40.800 -0.027 0.000 0.948 323 D HN 0.299 nan 8.370 nan 0.000 0.460 324 V N 0.907 120.829 119.914 0.014 0.000 2.392 324 V HA -0.228 3.775 4.120 -0.196 0.000 0.249 324 V C 2.186 178.324 176.094 0.073 0.000 1.059 324 V CA 1.245 63.520 62.300 -0.041 0.000 1.051 324 V CB -0.290 31.444 31.823 -0.148 0.000 0.658 324 V HN 0.161 nan 8.190 nan 0.000 0.455 325 I N -0.160 120.493 120.570 0.140 0.000 2.315 325 I HA -0.130 3.923 4.170 -0.196 0.000 0.248 325 I C 2.498 178.695 176.117 0.134 0.000 1.117 325 I CA 1.335 62.753 61.300 0.198 0.000 1.404 325 I CB -0.464 37.622 38.000 0.143 0.000 1.071 325 I HN 0.317 nan 8.210 nan 0.000 0.419 326 E N 0.875 121.105 120.200 0.050 0.000 2.208 326 E HA -0.179 4.054 4.350 -0.196 0.000 0.193 326 E C 1.967 178.553 176.600 -0.024 0.000 0.988 326 E CA 0.656 57.063 56.400 0.011 0.000 0.828 326 E CB -0.244 29.445 29.700 -0.017 0.000 0.763 326 E HN 0.396 nan 8.360 nan 0.000 0.478 327 K N 0.339 120.688 120.400 -0.085 0.000 2.031 327 K HA -0.061 4.142 4.320 -0.196 0.000 0.205 327 K C 1.805 178.272 176.600 -0.221 0.000 1.049 327 K CA 0.780 56.933 56.287 -0.224 0.000 0.939 327 K CB -0.134 32.119 32.500 -0.410 0.000 0.717 327 K HN 0.044 nan 8.250 nan 0.000 0.438 328 F N 0.587 120.581 119.950 0.073 0.000 2.367 328 F HA -0.001 4.408 4.527 -0.197 0.000 0.298 328 F C 1.074 176.960 175.800 0.143 0.000 1.094 328 F CA 0.412 58.496 58.000 0.139 0.000 1.409 328 F CB 0.431 39.575 39.000 0.241 0.000 1.064 328 F HN -0.260 nan 8.300 nan 0.000 0.528 329 V N 1.368 121.434 119.914 0.253 0.000 2.464 329 V HA 0.180 4.183 4.120 -0.196 0.000 0.255 329 V C -1.883 174.242 176.094 0.053 0.000 0.946 329 V CA -0.816 61.583 62.300 0.165 0.000 0.988 329 V CB 0.744 32.697 31.823 0.216 0.000 1.210 329 V HN -0.082 nan 8.190 nan 0.000 0.523 330 P HA 0.066 nan 4.420 nan 0.000 0.227 330 P C 0.145 177.425 177.300 -0.034 0.000 1.161 330 P CA 0.904 63.996 63.100 -0.013 0.000 0.788 330 P CB 0.686 32.373 31.700 -0.021 0.000 0.822 331 D N 0.576 120.945 120.400 -0.051 0.000 2.462 331 D HA 0.186 4.708 4.640 -0.196 0.000 0.245 331 D C -1.964 174.247 176.300 -0.148 0.000 1.122 331 D CA -2.659 51.304 54.000 -0.062 0.000 0.864 331 D CB 1.464 42.261 40.800 -0.005 0.000 1.098 331 D HN -0.094 nan 8.370 nan 0.000 0.541 332 P HA 0.023 nan 4.420 nan 0.000 0.242 332 P C 0.467 177.593 177.300 -0.289 0.000 1.197 332 P CA 0.561 63.535 63.100 -0.211 0.000 0.765 332 P CB 0.501 32.124 31.700 -0.128 0.000 0.936 333 E N -1.705 118.304 120.200 -0.318 0.000 2.460 333 E HA 0.052 4.285 4.350 -0.196 0.000 0.200 333 E C -0.168 175.948 176.600 -0.807 0.000 1.011 333 E CA 0.166 56.266 56.400 -0.499 0.000 0.912 333 E CB 0.156 29.561 29.700 -0.492 0.000 0.953 333 E HN 0.446 nan 8.360 nan 0.000 0.494 334 H N -1.733 117.105 119.070 -0.386 0.000 2.851 334 H HA 0.367 4.805 4.556 -0.196 0.000 0.372 334 H C -1.130 173.811 175.328 -0.646 0.000 1.158 334 H CA -0.800 54.969 56.048 -0.465 0.000 1.159 334 H CB 1.170 30.759 29.762 -0.288 0.000 1.757 334 H HN -0.130 nan 8.280 nan 0.000 0.546 335 F N 0.372 119.968 119.950 -0.590 0.000 2.509 335 F HA 0.434 4.843 4.527 -0.197 0.000 0.334 335 F C 0.952 176.467 175.800 -0.476 0.000 1.060 335 F CA -0.852 56.817 58.000 -0.551 0.000 0.997 335 F CB 0.997 39.502 39.000 -0.825 0.000 1.271 335 F HN 0.505 nan 8.300 nan 0.000 0.488 336 R N 0.305 120.816 120.500 0.018 0.000 3.641 336 R HA -0.222 4.000 4.340 -0.196 0.000 0.286 336 R C 1.214 177.530 176.300 0.026 0.000 1.153 336 R CA 0.248 56.359 56.100 0.019 0.000 0.775 336 R CB -0.873 29.372 30.300 -0.092 0.000 1.215 336 R HN 0.487 nan 8.270 nan 0.000 0.474 337 K N 0.388 120.814 120.400 0.044 0.000 2.152 337 K HA -0.101 4.101 4.320 -0.196 0.000 0.206 337 K C 1.862 178.475 176.600 0.023 0.000 1.048 337 K CA 2.224 58.514 56.287 0.004 0.000 0.933 337 K CB -0.125 32.379 32.500 0.007 0.000 0.721 337 K HN 0.564 nan 8.250 nan 0.000 0.447 338 T N -1.646 112.960 114.554 0.087 0.000 3.129 338 T HA 0.011 4.244 4.350 -0.196 0.000 0.251 338 T C 1.015 175.754 174.700 0.064 0.000 1.117 338 T CA 0.204 62.349 62.100 0.075 0.000 1.034 338 T CB -0.308 68.638 68.868 0.131 0.000 0.968 338 T HN 0.197 nan 8.240 nan 0.000 0.526 339 T N -1.250 113.337 114.554 0.054 0.000 2.884 339 T HA 0.383 4.615 4.350 -0.196 0.000 0.277 339 T C 0.285 174.987 174.700 0.004 0.000 0.976 339 T CA -0.687 61.432 62.100 0.032 0.000 0.956 339 T CB 1.115 70.002 68.868 0.032 0.000 1.113 339 T HN -0.147 nan 8.240 nan 0.000 0.554 340 D N 0.313 120.712 120.400 -0.002 0.000 2.340 340 D HA 0.127 4.650 4.640 -0.196 0.000 0.220 340 D C -0.300 175.988 176.300 -0.019 0.000 1.039 340 D CA 0.402 54.394 54.000 -0.013 0.000 0.866 340 D CB -0.259 40.535 40.800 -0.010 0.000 0.913 340 D HN 0.594 nan 8.370 nan 0.000 0.523 341 N N 0.766 119.455 118.700 -0.018 0.000 2.697 341 N HA 0.158 4.781 4.740 -0.196 0.000 0.253 341 N C -2.732 172.775 175.510 -0.005 0.000 1.604 341 N CA -0.866 52.172 53.050 -0.020 0.000 0.772 341 N CB 1.911 40.383 38.487 -0.025 0.000 1.267 341 N HN -0.072 nan 8.380 nan 0.000 0.510 342 P HA 0.109 nan 4.420 nan 0.000 0.270 342 P C -0.825 176.518 177.300 0.073 0.000 1.223 342 P CA -0.055 63.030 63.100 -0.025 0.000 0.785 342 P CB 0.476 32.103 31.700 -0.121 0.000 0.923 343 F N -1.421 118.502 119.950 -0.046 0.000 2.613 343 F HA 0.631 5.041 4.527 -0.195 0.000 0.314 343 F C -0.356 175.532 175.800 0.147 0.000 1.075 343 F CA -1.765 56.240 58.000 0.008 0.000 0.945 343 F CB 1.648 40.596 39.000 -0.087 0.000 1.310 343 F HN 0.092 nan 8.300 nan 0.000 0.467 344 K N 2.469 123.017 120.400 0.247 0.000 2.339 344 K HA 0.629 4.832 4.320 -0.196 0.000 0.286 344 K C -0.407 176.196 176.600 0.005 0.000 1.050 344 K CA -0.370 55.933 56.287 0.026 0.000 0.956 344 K CB 0.864 33.388 32.500 0.040 0.000 0.990 344 K HN 0.949 nan 8.250 nan 0.000 0.475 345 A N 5.932 128.626 122.820 -0.209 0.000 2.404 345 A HA 0.371 4.574 4.320 -0.196 0.000 0.273 345 A C -0.618 176.987 177.584 0.035 0.000 1.144 345 A CA -0.264 51.763 52.037 -0.016 0.000 0.806 345 A CB -0.096 18.784 19.000 -0.200 0.000 1.080 345 A HN 0.755 nan 8.150 nan 0.000 0.509 346 L N 1.959 123.263 121.223 0.135 0.000 2.341 346 L HA 0.745 4.968 4.340 -0.196 0.000 0.254 346 L C 1.075 178.001 176.870 0.094 0.000 1.040 346 L CA -0.181 54.699 54.840 0.067 0.000 0.837 346 L CB 1.885 43.956 42.059 0.020 0.000 1.425 346 L HN 1.165 nan 8.230 nan 0.000 0.414 347 G N 0.561 109.393 108.800 0.053 0.000 2.550 347 G HA2 -0.279 3.564 3.960 -0.196 0.000 0.277 347 G HA3 -0.279 3.564 3.960 -0.196 0.000 0.277 347 G C 0.789 175.747 174.900 0.096 0.000 1.190 347 G CA 0.372 45.521 45.100 0.082 0.000 0.971 347 G HN 1.073 nan 8.290 nan 0.000 0.559 348 G N -0.152 108.724 108.800 0.127 0.000 2.440 348 G HA2 -0.204 3.639 3.960 -0.196 0.000 0.218 348 G HA3 -0.204 3.639 3.960 -0.196 0.000 0.218 348 G C 1.546 176.555 174.900 0.181 0.000 1.154 348 G CA 1.656 46.828 45.100 0.120 0.000 0.767 348 G HN 0.857 nan 8.290 nan 0.000 0.552 349 N N -0.137 118.718 118.700 0.258 0.000 2.149 349 N HA -0.104 4.518 4.740 -0.196 0.000 0.188 349 N C 1.986 177.764 175.510 0.447 0.000 1.019 349 N CA 0.810 54.067 53.050 0.346 0.000 0.857 349 N CB -0.140 38.621 38.487 0.457 0.000 0.997 349 N HN 0.248 nan 8.380 nan 0.000 0.426 350 L N 0.685 122.087 121.223 0.297 0.000 2.141 350 L HA -0.030 4.193 4.340 -0.196 0.000 0.209 350 L C 1.823 178.772 176.870 0.132 0.000 1.094 350 L CA 1.131 56.081 54.840 0.183 0.000 0.763 350 L CB -0.225 41.881 42.059 0.078 0.000 0.908 350 L HN -0.032 nan 8.230 nan 0.000 0.437 351 V N -0.352 119.633 119.914 0.119 0.000 2.358 351 V HA -0.254 3.749 4.120 -0.196 0.000 0.246 351 V C 2.210 178.380 176.094 0.127 0.000 1.047 351 V CA 1.876 64.234 62.300 0.096 0.000 1.035 351 V CB -0.679 31.189 31.823 0.075 0.000 0.658 351 V HN 0.433 nan 8.190 nan 0.000 0.452 352 D N -0.664 119.840 120.400 0.173 0.000 2.178 352 D HA -0.176 4.347 4.640 -0.196 0.000 0.201 352 D C 1.999 178.455 176.300 0.260 0.000 0.980 352 D CA 1.192 55.306 54.000 0.190 0.000 0.842 352 D CB -0.169 40.730 40.800 0.164 0.000 0.948 352 D HN 0.361 nan 8.370 nan 0.000 0.472 353 M N 0.479 120.285 119.600 0.344 0.000 2.149 353 M HA -0.067 4.296 4.480 -0.196 0.000 0.261 353 M C 1.922 178.263 176.300 0.069 0.000 1.064 353 M CA 1.840 57.257 55.300 0.195 0.000 1.102 353 M CB -0.650 31.924 32.600 -0.044 0.000 1.369 353 M HN -0.012 nan 8.290 nan 0.000 0.408 354 G N -0.349 108.484 108.800 0.054 0.000 2.418 354 G HA2 -0.198 3.645 3.960 -0.196 0.000 0.217 354 G HA3 -0.198 3.645 3.960 -0.196 0.000 0.217 354 G C 1.670 176.551 174.900 -0.030 0.000 1.158 354 G CA 0.680 45.784 45.100 0.007 0.000 0.771 354 G HN 0.508 nan 8.290 nan 0.000 0.545 355 R N -0.250 120.261 120.500 0.018 0.000 2.235 355 R HA 0.072 4.295 4.340 -0.196 0.000 0.213 355 R C 2.368 178.656 176.300 -0.020 0.000 1.059 355 R CA 0.551 56.643 56.100 -0.012 0.000 0.997 355 R CB -0.131 30.246 30.300 0.129 0.000 0.884 355 R HN 0.347 nan 8.270 nan 0.000 0.462 356 V N 0.804 120.737 119.914 0.032 0.000 2.341 356 V HA -0.125 3.878 4.120 -0.196 0.000 0.240 356 V C 1.921 178.013 176.094 -0.003 0.000 1.035 356 V CA 1.499 63.827 62.300 0.047 0.000 1.033 356 V CB -0.130 31.773 31.823 0.133 0.000 0.678 356 V HN 0.194 nan 8.190 nan 0.000 0.464 357 K N -0.408 119.985 120.400 -0.012 0.000 2.284 357 K HA 0.064 4.266 4.320 -0.196 0.000 0.198 357 K C 1.963 178.524 176.600 -0.065 0.000 1.048 357 K CA 0.561 56.829 56.287 -0.033 0.000 0.987 357 K CB 0.152 32.632 32.500 -0.033 0.000 0.800 357 K HN 0.255 nan 8.250 nan 0.000 0.486 358 V N 1.967 121.824 119.914 -0.095 0.000 2.358 358 V HA -0.224 3.778 4.120 -0.196 0.000 0.246 358 V C 2.141 178.128 176.094 -0.178 0.000 1.047 358 V CA 1.348 63.574 62.300 -0.122 0.000 1.035 358 V CB -0.320 31.417 31.823 -0.143 0.000 0.658 358 V HN 0.227 nan 8.190 nan 0.000 0.452 359 I N 0.807 121.215 120.570 -0.270 0.000 2.286 359 I HA -0.125 3.927 4.170 -0.196 0.000 0.245 359 I C 2.732 178.758 176.117 -0.151 0.000 1.104 359 I CA 1.767 62.875 61.300 -0.319 0.000 1.397 359 I CB -1.819 35.901 38.000 -0.466 0.000 1.072 359 I HN 0.282 nan 8.210 nan 0.000 0.417 360 A N 1.209 123.971 122.820 -0.098 0.000 1.940 360 A HA -0.113 4.090 4.320 -0.196 0.000 0.219 360 A C 2.515 180.061 177.584 -0.064 0.000 1.176 360 A CA 1.912 53.915 52.037 -0.057 0.000 0.631 360 A CB -1.371 17.614 19.000 -0.026 0.000 0.814 360 A HN 0.433 nan 8.150 nan 0.000 0.446 361 G N -0.269 108.492 108.800 -0.065 0.000 2.422 361 G HA2 -0.166 3.677 3.960 -0.196 0.000 0.218 361 G HA3 -0.166 3.677 3.960 -0.196 0.000 0.218 361 G C 1.548 176.411 174.900 -0.062 0.000 1.146 361 G CA 1.058 46.122 45.100 -0.059 0.000 0.769 361 G HN 0.446 nan 8.290 nan 0.000 0.547 362 L N -0.296 120.907 121.223 -0.033 0.000 2.056 362 L HA 0.059 4.281 4.340 -0.196 0.000 0.207 362 L C 2.866 179.714 176.870 -0.036 0.000 1.078 362 L CA 0.447 55.308 54.840 0.034 0.000 0.749 362 L CB -0.320 41.759 42.059 0.034 0.000 0.901 362 L HN 0.172 nan 8.230 nan 0.000 0.433 363 L N 0.009 121.201 121.223 -0.052 0.000 2.093 363 L HA -0.160 4.062 4.340 -0.196 0.000 0.208 363 L C 2.503 179.315 176.870 -0.097 0.000 1.085 363 L CA 1.136 55.947 54.840 -0.048 0.000 0.755 363 L CB -0.353 41.686 42.059 -0.034 0.000 0.904 363 L HN 0.380 nan 8.230 nan 0.000 0.435 364 R N 0.164 120.586 120.500 -0.130 0.000 2.388 364 R HA 0.081 4.303 4.340 -0.196 0.000 0.247 364 R C 0.018 176.161 176.300 -0.262 0.000 0.931 364 R CA -0.191 55.817 56.100 -0.153 0.000 1.082 364 R CB -0.059 30.177 30.300 -0.106 0.000 1.135 364 R HN 0.098 nan 8.270 nan 0.000 0.525 365 K N 1.454 121.580 120.400 -0.456 0.000 3.077 365 K HA -0.157 4.046 4.320 -0.196 0.000 0.264 365 K C -0.794 175.447 176.600 -0.598 0.000 1.008 365 K CA 1.155 56.838 56.287 -1.006 0.000 0.740 365 K CB -1.050 30.922 32.500 -0.880 0.000 1.273 365 K HN 0.340 nan 8.250 nan 0.000 0.477 366 D N 0.766 120.992 120.400 -0.290 0.000 2.460 366 D HA 0.127 4.649 4.640 -0.196 0.000 0.232 366 D C 0.499 176.795 176.300 -0.006 0.000 1.079 366 D CA -0.489 53.444 54.000 -0.111 0.000 0.864 366 D CB 0.909 41.656 40.800 -0.089 0.000 1.048 366 D HN -0.004 nan 8.370 nan 0.000 0.523 367 D N 1.852 122.286 120.400 0.056 0.000 2.178 367 D HA -0.171 4.351 4.640 -0.196 0.000 0.201 367 D C 1.508 177.833 176.300 0.043 0.000 0.980 367 D CA 0.716 54.773 54.000 0.096 0.000 0.842 367 D CB 0.307 41.169 40.800 0.104 0.000 0.948 367 D HN 0.509 nan 8.370 nan 0.000 0.472 368 Q N 0.928 120.738 119.800 0.018 0.000 2.123 368 Q HA -0.149 4.074 4.340 -0.196 0.000 0.199 368 Q C 1.918 177.915 176.000 -0.004 0.000 0.966 368 Q CA 1.049 56.854 55.803 0.004 0.000 0.845 368 Q CB 0.075 28.811 28.738 -0.004 0.000 0.907 368 Q HN 0.400 nan 8.270 nan 0.000 0.439 369 E N -0.041 120.153 120.200 -0.011 0.000 2.077 369 E HA -0.152 4.081 4.350 -0.196 0.000 0.193 369 E C 2.148 178.739 176.600 -0.015 0.000 0.989 369 E CA 1.056 57.444 56.400 -0.020 0.000 0.800 369 E CB -0.096 29.587 29.700 -0.029 0.000 0.746 369 E HN 0.391 nan 8.360 nan 0.000 0.452 370 I N 0.942 121.513 120.570 0.002 0.000 2.113 370 I HA -0.295 3.757 4.170 -0.196 0.000 0.238 370 I C 2.740 178.861 176.117 0.007 0.000 1.070 370 I CA 1.509 62.814 61.300 0.009 0.000 1.332 370 I CB -0.395 37.633 38.000 0.046 0.000 1.044 370 I HN 0.226 nan 8.210 nan 0.000 0.402 371 S N 0.414 116.121 115.700 0.013 0.000 2.368 371 S HA -0.182 4.171 4.470 -0.196 0.000 0.224 371 S C 2.156 176.757 174.600 0.002 0.000 1.029 371 S CA 1.240 59.446 58.200 0.010 0.000 0.988 371 S CB -0.909 62.299 63.200 0.012 0.000 0.838 371 S HN 0.547 nan 8.310 nan 0.000 0.462 372 S N 1.435 117.131 115.700 -0.006 0.000 2.399 372 S HA -0.109 4.244 4.470 -0.196 0.000 0.231 372 S C 1.861 176.447 174.600 -0.025 0.000 1.022 372 S CA 1.506 59.696 58.200 -0.016 0.000 0.983 372 S CB -1.467 61.719 63.200 -0.023 0.000 0.803 372 S HN 0.585 nan 8.310 nan 0.000 0.480 373 T N 2.396 116.935 114.554 -0.025 0.000 2.851 373 T HA 0.237 4.470 4.350 -0.196 0.000 0.262 373 T C 1.723 176.414 174.700 -0.014 0.000 1.043 373 T CA 1.134 63.213 62.100 -0.035 0.000 1.140 373 T CB -0.384 68.460 68.868 -0.039 0.000 0.872 373 T HN 0.369 nan 8.240 nan 0.000 0.446 374 I N 0.610 121.182 120.570 0.004 0.000 2.226 374 I HA -0.152 3.901 4.170 -0.196 0.000 0.245 374 I C 2.739 178.882 176.117 0.044 0.000 1.100 374 I CA 1.090 62.408 61.300 0.031 0.000 1.374 374 I CB -0.144 37.876 38.000 0.033 0.000 1.057 374 I HN 0.030 nan 8.210 nan 0.000 0.413 375 R N 0.259 120.774 120.500 0.026 0.000 2.081 375 R HA -0.143 4.080 4.340 -0.196 0.000 0.235 375 R C 2.575 178.887 176.300 0.020 0.000 1.131 375 R CA 1.519 57.636 56.100 0.028 0.000 0.960 375 R CB -0.834 29.473 30.300 0.011 0.000 0.856 375 R HN 0.219 nan 8.270 nan 0.000 0.436 376 S N -0.053 115.641 115.700 -0.010 0.000 2.368 376 S HA -0.062 4.291 4.470 -0.196 0.000 0.225 376 S C 1.870 176.460 174.600 -0.016 0.000 1.030 376 S CA 1.099 59.277 58.200 -0.037 0.000 0.999 376 S CB -0.199 62.951 63.200 -0.084 0.000 0.844 376 S HN 0.265 nan 8.310 nan 0.000 0.459 377 I N 1.320 121.892 120.570 0.004 0.000 2.361 377 I HA -0.162 3.891 4.170 -0.196 0.000 0.251 377 I C 2.334 178.469 176.117 0.030 0.000 1.133 377 I CA 1.309 62.616 61.300 0.012 0.000 1.413 377 I CB -0.371 37.652 38.000 0.037 0.000 1.073 377 I HN 0.405 nan 8.210 nan 0.000 0.424 378 E N 0.626 120.900 120.200 0.124 0.000 2.331 378 E HA -0.271 3.962 4.350 -0.196 0.000 0.199 378 E C 2.028 178.756 176.600 0.214 0.000 1.008 378 E CA 0.926 57.492 56.400 0.276 0.000 0.843 378 E CB -0.106 29.738 29.700 0.240 0.000 0.761 378 E HN 0.650 nan 8.360 nan 0.000 0.507 379 Q N 0.396 120.249 119.800 0.088 0.000 2.436 379 Q HA -0.059 4.164 4.340 -0.196 0.000 0.209 379 Q C 2.041 178.076 176.000 0.058 0.000 0.965 379 Q CA 0.711 56.557 55.803 0.071 0.000 0.910 379 Q CB -0.113 28.640 28.738 0.025 0.000 0.980 379 Q HN 0.141 nan 8.270 nan 0.000 0.491 380 V N 0.581 120.477 119.914 -0.029 0.000 2.720 380 V HA -0.180 3.823 4.120 -0.196 0.000 0.256 380 V C 1.071 177.215 176.094 0.084 0.000 1.082 380 V CA 1.325 63.589 62.300 -0.061 0.000 1.101 380 V CB -0.529 31.171 31.823 -0.206 0.000 0.693 380 V HN 0.364 nan 8.190 nan 0.000 0.479 381 F N 0.205 120.345 119.950 0.317 0.000 2.789 381 F HA 0.240 4.650 4.527 -0.196 0.000 0.300 381 F C 1.249 177.176 175.800 0.212 0.000 1.132 381 F CA 0.054 58.223 58.000 0.283 0.000 1.404 381 F CB -0.207 38.849 39.000 0.094 0.000 1.114 381 F HN 0.013 nan 8.300 nan 0.000 0.584 382 K N 1.378 121.957 120.400 0.299 0.000 2.258 382 K HA 0.279 4.481 4.320 -0.196 0.000 0.284 382 K C -0.537 176.170 176.600 0.179 0.000 1.051 382 K CA -0.729 55.670 56.287 0.187 0.000 0.923 382 K CB 1.038 33.605 32.500 0.112 0.000 1.046 382 K HN -0.150 nan 8.250 nan 0.000 0.474 383 L N 3.475 124.779 121.223 0.135 0.000 2.426 383 L HA 0.165 4.388 4.340 -0.196 0.000 0.271 383 L C 0.022 176.870 176.870 -0.038 0.000 1.169 383 L CA -0.119 54.772 54.840 0.085 0.000 0.836 383 L CB 1.056 43.144 42.059 0.047 0.000 1.112 383 L HN 0.414 nan 8.230 nan 0.000 0.465 384 V N -0.368 119.427 119.914 -0.198 0.000 2.881 384 V HA 0.574 4.577 4.120 -0.196 0.000 0.316 384 V C 0.191 176.035 176.094 -0.417 0.000 1.070 384 V CA -0.651 61.462 62.300 -0.312 0.000 0.976 384 V CB 1.872 33.457 31.823 -0.397 0.000 1.038 384 V HN 0.673 nan 8.190 nan 0.000 0.446 385 D N 0.419 120.698 120.400 -0.202 0.000 2.366 385 D HA 0.213 4.736 4.640 -0.196 0.000 0.205 385 D C 0.465 176.823 176.300 0.097 0.000 1.022 385 D CA 0.883 54.871 54.000 -0.020 0.000 0.868 385 D CB 0.557 41.373 40.800 0.026 0.000 0.953 385 D HN 0.769 nan 8.370 nan 0.000 0.514 386 Q N -1.738 118.052 119.800 -0.016 0.000 2.578 386 Q HA 0.470 4.693 4.340 -0.196 0.000 0.284 386 Q C -0.171 175.853 176.000 0.040 0.000 0.960 386 Q CA -0.226 55.647 55.803 0.117 0.000 0.809 386 Q CB 1.752 30.535 28.738 0.074 0.000 1.462 386 Q HN 0.156 nan 8.270 nan 0.000 0.392 387 G N 1.532 110.396 108.800 0.107 0.000 2.562 387 G HA2 -0.257 3.586 3.960 -0.196 0.000 0.250 387 G HA3 -0.257 3.586 3.960 -0.196 0.000 0.250 387 G C -0.901 173.999 174.900 -0.001 0.000 1.269 387 G CA -0.007 45.113 45.100 0.034 0.000 0.919 387 G HN 0.600 nan 8.290 nan 0.000 0.574 388 E N 0.754 120.902 120.200 -0.087 0.000 2.331 388 E HA 0.524 4.757 4.350 -0.196 0.000 0.272 388 E C 0.665 177.094 176.600 -0.286 0.000 1.036 388 E CA 0.438 56.716 56.400 -0.204 0.000 0.864 388 E CB 1.215 30.805 29.700 -0.183 0.000 1.035 388 E HN 1.845 nan 8.360 nan 0.000 0.408 389 G N 1.442 109.929 108.800 -0.523 0.000 2.315 389 G HA2 -0.070 3.773 3.960 -0.196 0.000 0.296 389 G HA3 -0.070 3.773 3.960 -0.196 0.000 0.296 389 G C -1.462 173.173 174.900 -0.441 0.000 1.289 389 G CA -1.159 43.647 45.100 -0.490 0.000 0.996 389 G HN 0.292 nan 8.290 nan 0.000 0.487 390 F N 0.406 120.332 119.950 -0.039 0.000 2.385 390 F HA 0.731 5.141 4.527 -0.196 0.000 0.336 390 F C 0.415 176.243 175.800 0.048 0.000 1.100 390 F CA -0.077 57.997 58.000 0.124 0.000 1.116 390 F CB 1.119 40.193 39.000 0.124 0.000 1.166 390 F HN 0.414 nan 8.300 nan 0.000 0.511 391 Y N 0.579 121.059 120.300 0.301 0.000 2.568 391 Y HA 0.185 4.618 4.550 -0.196 0.000 0.327 391 Y C 1.397 177.465 175.900 0.281 0.000 1.163 391 Y CA -0.902 57.329 58.100 0.219 0.000 1.219 391 Y CB 1.152 39.701 38.460 0.148 0.000 1.308 391 Y HN 0.614 nan 8.280 nan 0.000 0.503 392 Q N -0.067 119.945 119.800 0.354 0.000 2.124 392 Q HA -0.180 4.043 4.340 -0.196 0.000 0.202 392 Q C 0.645 176.871 176.000 0.376 0.000 0.977 392 Q CA 1.995 57.975 55.803 0.295 0.000 0.850 392 Q CB -0.347 28.496 28.738 0.176 0.000 0.901 392 Q HN 0.757 nan 8.270 nan 0.000 0.429 393 D N -0.400 120.196 120.400 0.326 0.000 2.349 393 D HA 0.072 4.595 4.640 -0.196 0.000 0.224 393 D C 1.176 177.689 176.300 0.356 0.000 1.029 393 D CA 0.797 54.949 54.000 0.253 0.000 0.879 393 D CB 0.204 41.093 40.800 0.147 0.000 0.906 393 D HN 0.521 nan 8.370 nan 0.000 0.528 394 G N -0.567 108.503 108.800 0.450 0.000 2.194 394 G HA2 -0.266 3.576 3.960 -0.196 0.000 0.236 394 G HA3 -0.266 3.576 3.960 -0.196 0.000 0.236 394 G C 0.413 175.510 174.900 0.329 0.000 0.987 394 G CA 0.164 45.546 45.100 0.470 0.000 0.635 394 G HN 0.436 nan 8.290 nan 0.000 0.520 395 S N -0.303 115.583 115.700 0.310 0.000 2.573 395 S HA 0.485 4.838 4.470 -0.196 0.000 0.277 395 S C -0.417 174.277 174.600 0.157 0.000 1.346 395 S CA 0.299 58.519 58.200 0.034 0.000 1.034 395 S CB 1.234 64.378 63.200 -0.093 0.000 0.879 395 S HN 0.793 nan 8.310 nan 0.000 0.528 396 Y N 2.024 122.225 120.300 -0.165 0.000 2.346 396 Y HA 0.523 4.956 4.550 -0.195 0.000 0.332 396 Y C -1.233 174.564 175.900 -0.171 0.000 0.985 396 Y CA -0.901 57.046 58.100 -0.256 0.000 1.112 396 Y CB 0.619 38.716 38.460 -0.605 0.000 1.170 396 Y HN 0.428 nan 8.280 nan 0.000 0.447 397 I N 5.928 126.127 120.570 -0.618 0.000 2.412 397 I HA 0.365 4.418 4.170 -0.196 0.000 0.296 397 I C -0.508 175.232 176.117 -0.629 0.000 0.987 397 I CA -0.327 60.732 61.300 -0.403 0.000 1.180 397 I CB 1.592 39.519 38.000 -0.122 0.000 1.340 397 I HN 0.710 nan 8.210 nan 0.000 0.455 398 D N 3.166 123.393 120.400 -0.290 0.000 2.592 398 D HA 0.328 4.851 4.640 -0.196 0.000 0.263 398 D C -0.382 175.855 176.300 -0.106 0.000 1.132 398 D CA -0.313 53.509 54.000 -0.297 0.000 0.996 398 D CB 1.418 41.955 40.800 -0.439 0.000 1.442 398 D HN 0.614 nan 8.370 nan 0.000 0.486 399 H N 0.477 119.403 119.070 -0.240 0.000 2.604 399 H HA -0.223 4.216 4.556 -0.196 0.000 0.321 399 H C 0.507 175.767 175.328 -0.113 0.000 1.132 399 H CA 0.503 56.441 56.048 -0.184 0.000 1.129 399 H CB -1.055 28.643 29.762 -0.107 0.000 1.526 399 H HN 0.507 nan 8.280 nan 0.000 0.415 400 T N -1.308 113.242 114.554 -0.006 0.000 12.788 400 T HA -0.337 3.895 4.350 -0.196 0.000 0.415 400 T C 0.962 175.657 174.700 -0.008 0.000 1.469 400 T CA 2.010 64.099 62.100 -0.017 0.000 2.411 400 T CB -0.930 67.925 68.868 -0.021 0.000 2.796 400 T HN 0.787 nan 8.240 nan 0.000 0.707 401 N N 0.142 118.843 118.700 0.002 0.000 2.330 401 N HA 0.356 4.978 4.740 -0.196 0.000 0.249 401 N C -1.067 174.439 175.510 -0.008 0.000 1.413 401 N CA -0.128 52.923 53.050 0.001 0.000 0.817 401 N CB -0.101 38.399 38.487 0.022 0.000 1.362 401 N HN 0.480 nan 8.380 nan 0.000 0.499 402 V N 0.826 120.731 119.914 -0.014 0.000 2.417 402 V HA 0.798 4.800 4.120 -0.196 0.000 0.291 402 V C 0.635 176.668 176.094 -0.103 0.000 1.024 402 V CA -1.181 61.077 62.300 -0.069 0.000 0.861 402 V CB 1.244 33.021 31.823 -0.076 0.000 0.985 402 V HN 0.429 nan 8.190 nan 0.000 0.436 403 A N 3.952 126.686 122.820 -0.144 0.000 2.545 403 A HA 0.319 4.522 4.320 -0.196 0.000 0.253 403 A C -0.248 177.243 177.584 -0.156 0.000 1.074 403 A CA 0.650 52.606 52.037 -0.135 0.000 0.760 403 A CB -0.457 18.466 19.000 -0.129 0.000 1.005 403 A HN 0.851 nan 8.150 nan 0.000 0.506 404 Y N 1.601 121.897 120.300 -0.007 0.000 2.863 404 Y HA 0.102 4.535 4.550 -0.195 0.000 0.254 404 Y C 1.873 177.816 175.900 0.072 0.000 1.124 404 Y CA 0.115 58.258 58.100 0.072 0.000 1.203 404 Y CB -0.245 38.286 38.460 0.118 0.000 1.269 404 Y HN 0.724 nan 8.280 nan 0.000 0.586 405 T N -1.461 113.149 114.554 0.094 0.000 2.737 405 T HA -0.187 4.046 4.350 -0.196 0.000 0.269 405 T C 2.021 176.646 174.700 -0.125 0.000 1.040 405 T CA 1.867 63.827 62.100 -0.232 0.000 1.142 405 T CB -0.280 68.362 68.868 -0.377 0.000 0.861 405 T HN 0.543 nan 8.240 nan 0.000 0.456 406 G N -0.595 108.196 108.800 -0.015 0.000 3.141 406 G HA2 0.483 4.325 3.960 -0.196 0.000 0.218 406 G HA3 0.483 4.325 3.960 -0.196 0.000 0.218 406 G C 0.900 175.805 174.900 0.008 0.000 1.170 406 G CA 0.573 45.680 45.100 0.013 0.000 0.769 406 G HN 0.593 nan 8.290 nan 0.000 0.546 407 A N -0.459 122.371 122.820 0.016 0.000 1.808 407 A HA 0.406 4.609 4.320 -0.196 0.000 0.190 407 A C 1.603 178.967 177.584 -0.367 0.000 1.822 407 A CA 0.107 52.048 52.037 -0.161 0.000 1.090 407 A CB -0.350 18.582 19.000 -0.114 0.000 1.004 407 A HN 0.086 nan 8.150 nan 0.000 0.602 408 Y N 1.267 121.365 120.300 -0.336 0.000 2.242 408 Y HA 0.005 4.437 4.550 -0.196 0.000 0.291 408 Y C 2.692 178.363 175.900 -0.382 0.000 1.137 408 Y CA 1.373 59.266 58.100 -0.346 0.000 1.181 408 Y CB -0.467 37.757 38.460 -0.393 0.000 0.989 408 Y HN 0.388 nan 8.280 nan 0.000 0.527 409 G N -0.107 108.410 108.800 -0.472 0.000 2.422 409 G HA2 -0.274 3.568 3.960 -0.196 0.000 0.218 409 G HA3 -0.274 3.568 3.960 -0.196 0.000 0.218 409 G C 1.488 176.372 174.900 -0.028 0.000 1.146 409 G CA 1.146 45.884 45.100 -0.605 0.000 0.769 409 G HN 0.311 nan 8.290 nan 0.000 0.547 410 N N 0.453 119.141 118.700 -0.020 0.000 2.069 410 N HA -0.114 4.509 4.740 -0.196 0.000 0.191 410 N C 2.265 177.707 175.510 -0.113 0.000 1.031 410 N CA 1.188 54.197 53.050 -0.068 0.000 0.852 410 N CB -0.670 37.757 38.487 -0.099 0.000 1.018 410 N HN 0.184 nan 8.380 nan 0.000 0.423 411 V N 1.325 121.156 119.914 -0.139 0.000 2.343 411 V HA -0.168 3.835 4.120 -0.196 0.000 0.247 411 V C 2.326 178.390 176.094 -0.051 0.000 1.051 411 V CA 1.088 63.324 62.300 -0.108 0.000 1.036 411 V CB -0.573 31.171 31.823 -0.132 0.000 0.654 411 V HN 0.297 nan 8.190 nan 0.000 0.451 412 L N -0.560 120.628 121.223 -0.059 0.000 1.970 412 L HA -0.232 3.991 4.340 -0.196 0.000 0.212 412 L C 2.330 179.211 176.870 0.017 0.000 1.071 412 L CA 2.193 57.013 54.840 -0.033 0.000 0.751 412 L CB -0.197 41.787 42.059 -0.126 0.000 0.889 412 L HN 0.285 nan 8.230 nan 0.000 0.432 413 I N -0.708 119.862 120.570 -0.001 0.000 2.353 413 I HA -0.285 3.767 4.170 -0.196 0.000 0.248 413 I C 2.053 178.159 176.117 -0.019 0.000 1.119 413 I CA 1.644 62.951 61.300 0.011 0.000 1.417 413 I CB -0.085 37.790 38.000 -0.208 0.000 1.078 413 I HN 0.409 nan 8.210 nan 0.000 0.421 414 D N 0.508 120.870 120.400 -0.063 0.000 2.084 414 D HA -0.164 4.359 4.640 -0.196 0.000 0.194 414 D C 2.097 178.402 176.300 0.008 0.000 0.990 414 D CA 1.837 55.808 54.000 -0.049 0.000 0.826 414 D CB -0.449 40.307 40.800 -0.074 0.000 0.971 414 D HN 0.383 nan 8.370 nan 0.000 0.453 415 G N 0.045 108.863 108.800 0.031 0.000 2.408 415 G HA2 -0.193 3.649 3.960 -0.196 0.000 0.217 415 G HA3 -0.193 3.649 3.960 -0.196 0.000 0.217 415 G C 1.580 176.556 174.900 0.127 0.000 1.150 415 G CA 0.793 45.946 45.100 0.088 0.000 0.776 415 G HN 0.346 nan 8.290 nan 0.000 0.542 416 L N 1.859 123.152 121.223 0.116 0.000 2.093 416 L HA 0.003 4.226 4.340 -0.196 0.000 0.208 416 L C 3.106 180.068 176.870 0.152 0.000 1.085 416 L CA 2.316 57.245 54.840 0.149 0.000 0.755 416 L CB -0.525 41.648 42.059 0.189 0.000 0.904 416 L HN 0.329 nan 8.230 nan 0.000 0.435 417 S N -1.708 114.062 115.700 0.118 0.000 2.419 417 S HA -0.225 4.128 4.470 -0.196 0.000 0.233 417 S C 1.835 176.496 174.600 0.101 0.000 1.016 417 S CA 1.081 59.336 58.200 0.091 0.000 0.974 417 S CB -0.558 62.670 63.200 0.046 0.000 0.786 417 S HN 0.644 nan 8.310 nan 0.000 0.492 418 Q N 0.657 120.532 119.800 0.125 0.000 2.083 418 Q HA 0.129 4.352 4.340 -0.196 0.000 0.198 418 Q C 2.270 178.483 176.000 0.355 0.000 0.969 418 Q CA 1.333 57.243 55.803 0.178 0.000 0.838 418 Q CB -0.327 28.512 28.738 0.167 0.000 0.900 418 Q HN 0.550 nan 8.270 nan 0.000 0.436 419 L N 0.313 121.736 121.223 0.334 0.000 2.156 419 L HA -0.140 4.082 4.340 -0.196 0.000 0.208 419 L C 2.258 179.239 176.870 0.185 0.000 1.095 419 L CA 0.538 55.538 54.840 0.266 0.000 0.770 419 L CB -0.245 41.899 42.059 0.142 0.000 0.914 419 L HN 0.234 nan 8.230 nan 0.000 0.439 420 L N -0.105 121.217 121.223 0.165 0.000 2.042 420 L HA -0.177 4.046 4.340 -0.196 0.000 0.210 420 L C -0.193 176.743 176.870 0.111 0.000 1.076 420 L CA 1.524 56.443 54.840 0.131 0.000 0.749 420 L CB -1.655 40.478 42.059 0.123 0.000 0.893 420 L HN 0.229 nan 8.230 nan 0.000 0.432 421 P HA -0.132 nan 4.420 nan 0.000 0.218 421 P C 1.872 179.239 177.300 0.111 0.000 1.148 421 P CA 1.101 64.265 63.100 0.106 0.000 0.822 421 P CB 0.084 31.853 31.700 0.114 0.000 0.784 422 V N -0.397 119.603 119.914 0.142 0.000 2.283 422 V HA -0.201 3.802 4.120 -0.196 0.000 0.243 422 V C 2.378 178.509 176.094 0.063 0.000 1.039 422 V CA 1.506 63.876 62.300 0.117 0.000 1.016 422 V CB -1.051 30.855 31.823 0.138 0.000 0.650 422 V HN 0.026 nan 8.190 nan 0.000 0.449 423 I N -0.031 120.574 120.570 0.058 0.000 2.208 423 I HA -0.275 3.777 4.170 -0.196 0.000 0.245 423 I C 2.560 178.700 176.117 0.038 0.000 1.097 423 I CA 1.317 62.643 61.300 0.042 0.000 1.363 423 I CB -0.383 37.654 38.000 0.061 0.000 1.051 423 I HN 0.343 nan 8.210 nan 0.000 0.413 424 Q N 0.668 120.495 119.800 0.045 0.000 2.437 424 Q HA -0.092 4.131 4.340 -0.196 0.000 0.210 424 Q C 1.497 177.510 176.000 0.022 0.000 0.972 424 Q CA 1.074 56.895 55.803 0.030 0.000 0.903 424 Q CB -0.103 28.655 28.738 0.032 0.000 0.967 424 Q HN 0.539 nan 8.270 nan 0.000 0.486 425 K N 0.509 120.924 120.400 0.025 0.000 2.373 425 K HA 0.085 4.288 4.320 -0.196 0.000 0.202 425 K C 0.785 177.383 176.600 -0.004 0.000 1.025 425 K CA 0.088 56.383 56.287 0.014 0.000 1.115 425 K CB 0.789 33.304 32.500 0.025 0.000 0.858 425 K HN 0.211 nan 8.250 nan 0.000 0.525 426 T N -1.190 113.363 114.554 -0.003 0.000 2.771 426 T HA 0.083 4.315 4.350 -0.196 0.000 0.290 426 T C 1.166 175.854 174.700 -0.022 0.000 1.005 426 T CA -0.543 61.545 62.100 -0.019 0.000 0.944 426 T CB 1.285 70.150 68.868 -0.004 0.000 1.147 426 T HN 0.070 nan 8.240 nan 0.000 0.534 427 K N 0.022 120.405 120.400 -0.028 0.000 2.439 427 K HA -0.007 4.195 4.320 -0.196 0.000 0.197 427 K C -0.003 176.592 176.600 -0.007 0.000 1.041 427 K CA 0.752 57.026 56.287 -0.022 0.000 0.970 427 K CB -0.354 32.130 32.500 -0.026 0.000 0.773 427 K HN 0.648 nan 8.250 nan 0.000 0.479 428 N N 2.682 121.383 118.700 0.000 0.000 2.818 428 N HA 0.226 4.849 4.740 -0.196 0.000 0.301 428 N C -2.711 172.806 175.510 0.011 0.000 1.821 428 N CA -1.515 51.539 53.050 0.007 0.000 0.930 428 N CB 1.289 39.783 38.487 0.012 0.000 1.263 428 N HN 0.170 nan 8.380 nan 0.000 0.487 429 P HA 0.094 nan 4.420 nan 0.000 0.271 429 P C -0.178 177.124 177.300 0.004 0.000 1.244 429 P CA -0.041 63.063 63.100 0.007 0.000 0.793 429 P CB 1.374 33.073 31.700 -0.001 0.000 0.984 430 I N 0.886 121.454 120.570 -0.002 0.000 2.392 430 I HA 0.175 4.228 4.170 -0.196 0.000 0.295 430 I C 0.404 176.475 176.117 -0.076 0.000 0.985 430 I CA -0.789 60.495 61.300 -0.027 0.000 1.221 430 I CB 0.772 38.764 38.000 -0.014 0.000 1.366 430 I HN 0.144 nan 8.210 nan 0.000 0.467 431 D N 6.323 126.671 120.400 -0.088 0.000 2.488 431 D HA 0.010 4.532 4.640 -0.196 0.000 0.238 431 D C 1.044 177.256 176.300 -0.148 0.000 1.138 431 D CA 0.146 54.089 54.000 -0.095 0.000 0.873 431 D CB 1.006 41.758 40.800 -0.079 0.000 1.183 431 D HN 0.410 nan 8.370 nan 0.000 0.458 432 K N 1.618 121.953 120.400 -0.109 0.000 2.097 432 K HA -0.171 4.032 4.320 -0.196 0.000 0.205 432 K C 1.245 177.765 176.600 -0.134 0.000 1.050 432 K CA 0.824 57.043 56.287 -0.113 0.000 0.938 432 K CB 0.017 32.482 32.500 -0.058 0.000 0.718 432 K HN 0.368 nan 8.250 nan 0.000 0.442 433 D N 1.478 121.812 120.400 -0.109 0.000 2.116 433 D HA -0.178 4.345 4.640 -0.196 0.000 0.193 433 D C 1.792 177.998 176.300 -0.157 0.000 0.998 433 D CA 1.513 55.453 54.000 -0.101 0.000 0.836 433 D CB 0.101 40.859 40.800 -0.069 0.000 0.951 433 D HN -0.022 nan 8.370 nan 0.000 0.449 434 K N -0.696 119.572 120.400 -0.220 0.000 2.063 434 K HA -0.013 4.190 4.320 -0.196 0.000 0.208 434 K C 2.118 178.321 176.600 -0.662 0.000 1.048 434 K CA 1.178 57.264 56.287 -0.336 0.000 0.928 434 K CB -0.095 32.192 32.500 -0.354 0.000 0.713 434 K HN 0.254 nan 8.250 nan 0.000 0.442 435 M N -0.101 119.042 119.600 -0.763 0.000 2.619 435 M HA -0.055 4.308 4.480 -0.196 0.000 0.251 435 M C 1.718 177.713 176.300 -0.508 0.000 1.106 435 M CA 0.662 55.411 55.300 -0.917 0.000 1.086 435 M CB 0.150 32.384 32.600 -0.611 0.000 1.465 435 M HN 0.023 nan 8.290 nan 0.000 0.506 436 Q N 0.646 120.277 119.800 -0.281 0.000 2.234 436 Q HA -0.115 4.107 4.340 -0.196 0.000 0.206 436 Q C 1.639 177.544 176.000 -0.159 0.000 0.980 436 Q CA 1.749 57.508 55.803 -0.073 0.000 0.869 436 Q CB -0.379 28.351 28.738 -0.014 0.000 0.912 436 Q HN 0.406 nan 8.270 nan 0.000 0.436 437 T N 0.154 114.543 114.554 -0.276 0.000 2.881 437 T HA -0.148 4.085 4.350 -0.196 0.000 0.270 437 T C 1.566 175.714 174.700 -0.919 0.000 1.068 437 T CA 1.358 63.238 62.100 -0.366 0.000 1.131 437 T CB -0.166 68.603 68.868 -0.164 0.000 0.871 437 T HN 0.349 nan 8.240 nan 0.000 0.479 438 M N 0.137 119.057 119.600 -1.134 0.000 2.144 438 M HA -0.135 4.228 4.480 -0.196 0.000 0.260 438 M C 1.897 177.733 176.300 -0.775 0.000 1.067 438 M CA 1.840 56.290 55.300 -1.418 0.000 1.095 438 M CB -0.591 31.402 32.600 -1.011 0.000 1.365 438 M HN 0.329 nan 8.290 nan 0.000 0.406 439 Y N -1.510 118.619 120.300 -0.286 0.000 2.373 439 Y HA -0.186 4.247 4.550 -0.196 0.000 0.293 439 Y C 2.521 178.383 175.900 -0.062 0.000 1.129 439 Y CA 1.156 59.184 58.100 -0.122 0.000 1.226 439 Y CB -1.145 37.261 38.460 -0.090 0.000 1.000 439 Y HN 0.358 nan 8.280 nan 0.000 0.549 440 H N -0.397 118.632 119.070 -0.068 0.000 2.319 440 H HA -0.215 4.224 4.556 -0.196 0.000 0.299 440 H C 1.511 176.881 175.328 0.070 0.000 1.092 440 H CA 2.274 58.316 56.048 -0.010 0.000 1.302 440 H CB -0.281 29.466 29.762 -0.026 0.000 1.373 440 H HN 0.316 nan 8.280 nan 0.000 0.497 441 W N 1.006 122.271 121.300 -0.057 0.000 2.318 441 W HA -0.160 4.382 4.660 -0.197 0.000 0.313 441 W C 2.773 179.310 176.519 0.031 0.000 1.221 441 W CA 0.412 57.611 57.345 -0.244 0.000 1.266 441 W CB -1.295 27.896 29.460 -0.448 0.000 1.150 441 W HN 0.227 nan 8.180 nan 0.000 0.496 442 I N 0.151 120.914 120.570 0.322 0.000 2.179 442 I HA -0.286 3.766 4.170 -0.196 0.000 0.242 442 I C 2.121 178.336 176.117 0.163 0.000 1.088 442 I CA 1.711 63.185 61.300 0.290 0.000 1.357 442 I CB -0.507 37.589 38.000 0.159 0.000 1.051 442 I HN -0.156 nan 8.210 nan 0.000 0.409 443 D N 0.354 120.790 120.400 0.061 0.000 2.137 443 D HA -0.108 4.415 4.640 -0.196 0.000 0.202 443 D C 2.154 178.414 176.300 -0.066 0.000 0.970 443 D CA 0.987 54.975 54.000 -0.020 0.000 0.837 443 D CB -0.064 40.711 40.800 -0.041 0.000 0.981 443 D HN 0.125 nan 8.370 nan 0.000 0.475 444 K N 0.184 120.511 120.400 -0.121 0.000 2.202 444 K HA 0.174 4.376 4.320 -0.196 0.000 0.201 444 K C 1.992 178.656 176.600 0.105 0.000 1.051 444 K CA 0.341 56.562 56.287 -0.109 0.000 0.977 444 K CB 0.432 32.697 32.500 -0.392 0.000 0.792 444 K HN -0.062 nan 8.250 nan 0.000 0.469 445 S N -0.270 115.458 115.700 0.047 0.000 2.510 445 S HA 0.141 4.494 4.470 -0.196 0.000 0.230 445 S C 1.635 176.111 174.600 -0.207 0.000 1.066 445 S CA 0.213 58.370 58.200 -0.072 0.000 0.941 445 S CB -0.024 63.068 63.200 -0.179 0.000 0.829 445 S HN 0.084 nan 8.310 nan 0.000 0.530 446 F N 1.978 121.954 119.950 0.043 0.000 2.243 446 F HA 0.344 4.754 4.527 -0.195 0.000 0.287 446 F C 2.582 178.357 175.800 -0.042 0.000 1.067 446 F CA 0.568 58.564 58.000 -0.006 0.000 1.304 446 F CB -0.955 38.047 39.000 0.004 0.000 1.087 446 F HN 0.145 nan 8.300 nan 0.000 0.513 447 A N 0.715 123.609 122.820 0.124 0.000 1.917 447 A HA -0.152 4.050 4.320 -0.196 0.000 0.219 447 A C -0.325 177.162 177.584 -0.161 0.000 1.182 447 A CA 1.873 53.889 52.037 -0.035 0.000 0.633 447 A CB -2.078 16.868 19.000 -0.090 0.000 0.819 447 A HN 0.235 nan 8.150 nan 0.000 0.448 448 P HA -0.061 nan 4.420 nan 0.000 0.222 448 P C 0.964 178.318 177.300 0.091 0.000 1.147 448 P CA 0.750 63.694 63.100 -0.260 0.000 0.790 448 P CB -0.077 31.606 31.700 -0.028 0.000 0.780 449 L N -1.956 119.306 121.223 0.065 0.000 2.591 449 L HA 0.100 4.323 4.340 -0.196 0.000 0.228 449 L C 0.625 177.447 176.870 -0.080 0.000 1.133 449 L CA 0.020 54.867 54.840 0.012 0.000 0.880 449 L CB -0.298 41.740 42.059 -0.035 0.000 1.033 449 L HN -0.054 nan 8.230 nan 0.000 0.450 450 L N 0.714 121.896 121.223 -0.068 0.000 2.280 450 L HA 0.418 4.641 4.340 -0.196 0.000 0.287 450 L C -0.815 175.962 176.870 -0.155 0.000 1.023 450 L CA -0.376 54.393 54.840 -0.118 0.000 0.819 450 L CB 1.783 43.797 42.059 -0.073 0.000 1.212 450 L HN -0.239 nan 8.230 nan 0.000 0.420 451 V N 3.435 123.205 119.914 -0.239 0.000 2.443 451 V HA 0.310 4.313 4.120 -0.196 0.000 0.293 451 V C 0.089 176.110 176.094 -0.121 0.000 1.021 451 V CA -0.802 61.354 62.300 -0.240 0.000 0.848 451 V CB 1.485 33.133 31.823 -0.292 0.000 0.998 451 V HN 0.849 nan 8.190 nan 0.000 0.424 452 N N 3.918 122.593 118.700 -0.041 0.000 2.708 452 N HA -0.229 4.394 4.740 -0.196 0.000 0.249 452 N C 1.173 176.790 175.510 0.178 0.000 1.097 452 N CA 1.650 54.759 53.050 0.099 0.000 0.710 452 N CB -0.902 37.700 38.487 0.191 0.000 1.032 452 N HN 1.585 nan 8.380 nan 0.000 0.551 453 G N -0.633 108.210 108.800 0.073 0.000 2.175 453 G HA2 -0.316 3.526 3.960 -0.196 0.000 0.244 453 G HA3 -0.316 3.526 3.960 -0.196 0.000 0.244 453 G C -0.249 174.623 174.900 -0.047 0.000 0.982 453 G CA 0.522 45.701 45.100 0.131 0.000 0.641 453 G HN 0.646 nan 8.290 nan 0.000 0.527 454 E N -0.134 119.884 120.200 -0.304 0.000 2.171 454 E HA 0.627 4.860 4.350 -0.196 0.000 0.271 454 E C -0.513 175.885 176.600 -0.337 0.000 0.916 454 E CA -1.078 54.984 56.400 -0.562 0.000 0.774 454 E CB 1.047 30.334 29.700 -0.688 0.000 1.128 454 E HN 0.205 nan 8.360 nan 0.000 0.403 455 L N 5.410 126.482 121.223 -0.251 0.000 2.265 455 L HA 0.325 4.548 4.340 -0.196 0.000 0.288 455 L C -0.343 176.408 176.870 -0.198 0.000 1.058 455 L CA 0.007 54.739 54.840 -0.180 0.000 0.809 455 L CB 0.769 42.765 42.059 -0.106 0.000 1.179 455 L HN 0.732 nan 8.230 nan 0.000 0.429 456 M N 4.439 123.890 119.600 -0.247 0.000 2.327 456 M HA -0.034 4.328 4.480 -0.196 0.000 0.353 456 M C 0.764 176.910 176.300 -0.256 0.000 1.539 456 M CA 0.072 55.201 55.300 -0.286 0.000 1.039 456 M CB 0.208 32.643 32.600 -0.276 0.000 1.967 456 M HN 0.591 nan 8.290 nan 0.000 0.459 457 D N 3.287 123.518 120.400 -0.282 0.000 2.221 457 D HA -0.174 4.349 4.640 -0.196 0.000 0.204 457 D C 1.877 178.052 176.300 -0.208 0.000 0.982 457 D CA 1.443 55.348 54.000 -0.158 0.000 0.857 457 D CB -0.101 40.785 40.800 0.144 0.000 0.934 457 D HN 0.723 nan 8.370 nan 0.000 0.475 458 M N -0.041 119.328 119.600 -0.385 0.000 2.539 458 M HA -0.047 4.315 4.480 -0.196 0.000 0.261 458 M C 1.540 177.743 176.300 -0.161 0.000 1.069 458 M CA 1.360 56.544 55.300 -0.193 0.000 1.081 458 M CB -0.123 32.370 32.600 -0.179 0.000 1.412 458 M HN -0.091 nan 8.290 nan 0.000 0.482 459 S N -0.182 115.413 115.700 -0.175 0.000 2.540 459 S HA 0.235 4.588 4.470 -0.196 0.000 0.218 459 S C 1.484 176.031 174.600 -0.088 0.000 0.977 459 S CA -0.672 57.440 58.200 -0.147 0.000 0.918 459 S CB -0.030 63.075 63.200 -0.158 0.000 0.806 459 S HN 0.649 nan 8.310 nan 0.000 0.496 460 R N 1.074 121.515 120.500 -0.098 0.000 2.362 460 R HA 0.342 4.565 4.340 -0.196 0.000 0.227 460 R C 1.635 177.942 176.300 0.011 0.000 0.905 460 R CA 0.278 56.371 56.100 -0.012 0.000 1.067 460 R CB -0.070 30.197 30.300 -0.055 0.000 1.078 460 R HN 0.477 nan 8.270 nan 0.000 0.516 461 G N 3.111 111.767 108.800 -0.240 0.000 2.634 461 G HA2 -0.454 3.389 3.960 -0.196 0.000 0.309 461 G HA3 -0.454 3.389 3.960 -0.196 0.000 0.309 461 G C 0.742 175.570 174.900 -0.119 0.000 1.265 461 G CA 0.839 45.712 45.100 -0.377 0.000 0.998 461 G HN 0.507 nan 8.290 nan 0.000 0.551 462 R N 0.176 120.710 120.500 0.056 0.000 2.280 462 R HA 0.225 4.448 4.340 -0.196 0.000 0.207 462 R C 2.249 178.534 176.300 -0.025 0.000 1.043 462 R CA 1.779 57.889 56.100 0.016 0.000 1.006 462 R CB -0.339 30.024 30.300 0.104 0.000 0.885 462 R HN 0.305 nan 8.270 nan 0.000 0.467 463 S N 1.970 117.667 115.700 -0.004 0.000 2.474 463 S HA -0.043 4.310 4.470 -0.196 0.000 0.235 463 S C 1.877 176.420 174.600 -0.095 0.000 0.997 463 S CA 1.129 59.298 58.200 -0.052 0.000 0.949 463 S CB -0.366 62.801 63.200 -0.055 0.000 0.766 463 S HN 0.579 nan 8.310 nan 0.000 0.517 464 I N 0.883 121.328 120.570 -0.208 0.000 2.530 464 I HA -0.086 3.967 4.170 -0.196 0.000 0.257 464 I C 1.762 177.781 176.117 -0.163 0.000 1.179 464 I CA 1.358 62.425 61.300 -0.388 0.000 1.440 464 I CB -0.567 36.779 38.000 -1.090 0.000 1.087 464 I HN 0.248 nan 8.210 nan 0.000 0.440 465 S N 0.506 116.175 115.700 -0.051 0.000 2.634 465 S HA 0.268 4.621 4.470 -0.196 0.000 0.221 465 S C 0.642 175.405 174.600 0.272 0.000 0.952 465 S CA -0.664 57.647 58.200 0.185 0.000 0.930 465 S CB -0.249 62.968 63.200 0.030 0.000 0.780 465 S HN 0.472 nan 8.310 nan 0.000 0.498 466 R N 0.579 121.123 120.500 0.073 0.000 2.265 466 R HA 0.599 4.821 4.340 -0.196 0.000 0.328 466 R C 1.026 176.984 176.300 -0.570 0.000 0.969 466 R CA 0.094 56.089 56.100 -0.174 0.000 0.832 466 R CB 1.240 31.457 30.300 -0.138 0.000 1.139 466 R HN 0.283 nan 8.270 nan 0.000 0.457 467 A N 3.531 125.682 122.820 -1.115 0.000 1.972 467 A HA -0.200 4.002 4.320 -0.196 0.000 0.219 467 A C 1.445 178.622 177.584 -0.678 0.000 1.169 467 A CA 1.553 52.560 52.037 -1.716 0.000 0.635 467 A CB -0.515 17.417 19.000 -1.779 0.000 0.810 467 A HN 0.944 nan 8.150 nan 0.000 0.446 468 N N -1.578 116.870 118.700 -0.419 0.000 2.383 468 N HA 0.058 4.681 4.740 -0.196 0.000 0.192 468 N C -0.104 175.315 175.510 -0.152 0.000 1.141 468 N CA 0.600 53.520 53.050 -0.218 0.000 0.851 468 N CB 0.191 38.578 38.487 -0.166 0.000 0.976 468 N HN 0.150 nan 8.380 nan 0.000 0.465 469 S N 0.260 115.865 115.700 -0.159 0.000 2.794 469 S HA 0.131 4.484 4.470 -0.196 0.000 0.244 469 S C -0.493 174.087 174.600 -0.032 0.000 1.045 469 S CA -0.654 57.487 58.200 -0.098 0.000 1.114 469 S CB 0.464 63.600 63.200 -0.106 0.000 1.085 469 S HN 0.310 nan 8.310 nan 0.000 0.488 470 E N 0.542 120.754 120.200 0.020 0.000 2.416 470 E HA 0.215 4.448 4.350 -0.196 0.000 0.254 470 E C 1.526 178.171 176.600 0.076 0.000 1.241 470 E CA 0.005 56.498 56.400 0.155 0.000 0.969 470 E CB 0.327 30.190 29.700 0.271 0.000 0.999 470 E HN 0.372 nan 8.360 nan 0.000 0.481 471 G N 0.204 109.082 108.800 0.129 0.000 2.432 471 G HA2 -0.244 3.599 3.960 -0.196 0.000 0.219 471 G HA3 -0.244 3.599 3.960 -0.196 0.000 0.219 471 G C 1.046 175.862 174.900 -0.140 0.000 1.135 471 G CA 0.614 45.711 45.100 -0.005 0.000 0.767 471 G HN 0.535 nan 8.290 nan 0.000 0.550 472 H N -0.230 118.802 119.070 -0.064 0.000 2.428 472 H HA 0.014 4.452 4.556 -0.196 0.000 0.296 472 H C 2.735 177.768 175.328 -0.492 0.000 1.062 472 H CA 1.137 57.065 56.048 -0.200 0.000 1.350 472 H CB 0.090 29.781 29.762 -0.119 0.000 1.403 472 H HN 0.239 nan 8.280 nan 0.000 0.533 473 V N 1.143 120.772 119.914 -0.475 0.000 2.323 473 V HA -0.180 3.822 4.120 -0.196 0.000 0.244 473 V C 2.871 178.876 176.094 -0.148 0.000 1.041 473 V CA 1.427 63.491 62.300 -0.394 0.000 1.025 473 V CB -0.957 30.715 31.823 -0.252 0.000 0.656 473 V HN 0.413 nan 8.190 nan 0.000 0.451 474 A N 0.284 123.031 122.820 -0.121 0.000 1.940 474 A HA -0.141 4.062 4.320 -0.196 0.000 0.219 474 A C 2.419 179.953 177.584 -0.082 0.000 1.176 474 A CA 2.102 54.085 52.037 -0.090 0.000 0.631 474 A CB -0.797 18.156 19.000 -0.077 0.000 0.814 474 A HN 0.587 nan 8.150 nan 0.000 0.446 475 A N -0.515 122.253 122.820 -0.087 0.000 1.978 475 A HA -0.021 4.182 4.320 -0.196 0.000 0.220 475 A C 2.151 179.705 177.584 -0.049 0.000 1.170 475 A CA 1.793 53.788 52.037 -0.069 0.000 0.636 475 A CB -0.836 18.119 19.000 -0.075 0.000 0.810 475 A HN 0.446 nan 8.150 nan 0.000 0.448 476 V N 0.236 120.137 119.914 -0.021 0.000 2.515 476 V HA -0.256 3.746 4.120 -0.196 0.000 0.250 476 V C 2.249 178.315 176.094 -0.047 0.000 1.058 476 V CA 2.038 64.336 62.300 -0.003 0.000 1.064 476 V CB -0.950 30.916 31.823 0.070 0.000 0.675 476 V HN 0.655 nan 8.190 nan 0.000 0.461 477 E N 0.227 120.389 120.200 -0.065 0.000 2.085 477 E HA -0.196 4.036 4.350 -0.196 0.000 0.194 477 E C 2.235 178.757 176.600 -0.130 0.000 0.994 477 E CA 1.641 57.986 56.400 -0.092 0.000 0.801 477 E CB -0.275 29.365 29.700 -0.100 0.000 0.743 477 E HN 0.502 nan 8.360 nan 0.000 0.453 478 V N 1.312 121.134 119.914 -0.153 0.000 2.323 478 V HA -0.211 3.792 4.120 -0.196 0.000 0.244 478 V C 2.300 178.278 176.094 -0.194 0.000 1.041 478 V CA 1.317 63.463 62.300 -0.257 0.000 1.025 478 V CB -0.409 31.265 31.823 -0.247 0.000 0.656 478 V HN 0.225 nan 8.190 nan 0.000 0.451 479 L N 0.549 121.704 121.223 -0.114 0.000 2.046 479 L HA -0.175 4.047 4.340 -0.196 0.000 0.208 479 L C 2.843 179.691 176.870 -0.037 0.000 1.077 479 L CA 2.008 56.803 54.840 -0.074 0.000 0.747 479 L CB -0.689 41.340 42.059 -0.050 0.000 0.896 479 L HN 0.428 nan 8.230 nan 0.000 0.432 480 R N 0.262 120.735 120.500 -0.045 0.000 2.115 480 R HA -0.065 4.158 4.340 -0.196 0.000 0.230 480 R C 2.155 178.436 176.300 -0.031 0.000 1.111 480 R CA 1.325 57.408 56.100 -0.028 0.000 0.976 480 R CB -1.004 29.262 30.300 -0.057 0.000 0.870 480 R HN 0.245 nan 8.270 nan 0.000 0.445 481 G N 2.029 110.787 108.800 -0.070 0.000 2.421 481 G HA2 -0.194 3.648 3.960 -0.196 0.000 0.216 481 G HA3 -0.194 3.648 3.960 -0.196 0.000 0.216 481 G C 1.542 176.419 174.900 -0.040 0.000 1.171 481 G CA 0.952 46.010 45.100 -0.070 0.000 0.775 481 G HN 0.241 nan 8.290 nan 0.000 0.543 482 I N -0.098 120.436 120.570 -0.059 0.000 2.208 482 I HA -0.200 3.852 4.170 -0.196 0.000 0.245 482 I C 2.577 178.734 176.117 0.067 0.000 1.097 482 I CA 1.233 62.524 61.300 -0.016 0.000 1.363 482 I CB -0.287 37.685 38.000 -0.047 0.000 1.051 482 I HN 0.142 nan 8.210 nan 0.000 0.413 483 H N 1.585 120.626 119.070 -0.048 0.000 2.423 483 H HA -0.037 4.403 4.556 -0.194 0.000 0.297 483 H C 2.314 177.627 175.328 -0.025 0.000 1.075 483 H CA 1.537 57.563 56.048 -0.036 0.000 1.342 483 H CB 0.053 29.783 29.762 -0.054 0.000 1.395 483 H HN 0.205 nan 8.280 nan 0.000 0.530 484 R N -0.531 120.011 120.500 0.070 0.000 2.075 484 R HA -0.070 4.153 4.340 -0.196 0.000 0.232 484 R C 2.284 178.615 176.300 0.051 0.000 1.126 484 R CA 1.141 57.247 56.100 0.011 0.000 0.963 484 R CB 0.055 30.350 30.300 -0.009 0.000 0.858 484 R HN 0.229 nan 8.270 nan 0.000 0.435 485 I N 0.939 121.546 120.570 0.062 0.000 2.286 485 I HA -0.207 3.846 4.170 -0.196 0.000 0.248 485 I C 2.491 178.682 176.117 0.123 0.000 1.115 485 I CA 1.261 62.604 61.300 0.071 0.000 1.392 485 I CB -1.452 36.567 38.000 0.031 0.000 1.065 485 I HN 0.142 nan 8.210 nan 0.000 0.418 486 A N 0.533 123.433 122.820 0.133 0.000 1.908 486 A HA -0.293 3.910 4.320 -0.196 0.000 0.218 486 A C 2.158 179.808 177.584 0.110 0.000 1.181 486 A CA 2.304 54.417 52.037 0.127 0.000 0.627 486 A CB -0.909 18.164 19.000 0.121 0.000 0.818 486 A HN 0.414 nan 8.150 nan 0.000 0.445 487 D N -0.265 120.201 120.400 0.110 0.000 2.178 487 D HA -0.144 4.379 4.640 -0.196 0.000 0.201 487 D C 2.018 178.349 176.300 0.051 0.000 0.980 487 D CA 1.622 55.660 54.000 0.064 0.000 0.842 487 D CB -0.204 40.605 40.800 0.014 0.000 0.948 487 D HN 0.623 nan 8.370 nan 0.000 0.472 488 M N -1.535 118.102 119.600 0.062 0.000 2.561 488 M HA 0.226 4.589 4.480 -0.196 0.000 0.238 488 M C 0.313 176.656 176.300 0.070 0.000 1.131 488 M CA 0.017 55.353 55.300 0.060 0.000 1.046 488 M CB 0.602 33.237 32.600 0.059 0.000 1.532 488 M HN -0.280 nan 8.290 nan 0.000 0.497 489 S N 1.690 117.441 115.700 0.084 0.000 2.694 489 S HA 0.474 4.826 4.470 -0.196 0.000 0.278 489 S C -0.100 174.515 174.600 0.026 0.000 1.152 489 S CA -0.802 57.442 58.200 0.074 0.000 1.010 489 S CB 1.074 64.329 63.200 0.091 0.000 1.104 489 S HN 0.545 nan 8.310 nan 0.000 0.547 490 E N -0.529 119.667 120.200 -0.008 0.000 2.429 490 E HA 0.571 4.804 4.350 -0.196 0.000 0.276 490 E C 0.313 176.890 176.600 -0.039 0.000 0.953 490 E CA -0.390 56.000 56.400 -0.015 0.000 0.787 490 E CB 0.904 30.598 29.700 -0.010 0.000 1.307 490 E HN 0.823 nan 8.360 nan 0.000 0.458 491 G N 2.481 111.263 108.800 -0.030 0.000 2.583 491 G HA2 -0.429 3.413 3.960 -0.196 0.000 0.292 491 G HA3 -0.429 3.413 3.960 -0.196 0.000 0.292 491 G C 0.758 175.630 174.900 -0.048 0.000 1.203 491 G CA 0.770 45.848 45.100 -0.037 0.000 0.987 491 G HN 0.641 nan 8.290 nan 0.000 0.554 492 E N -0.832 119.332 120.200 -0.060 0.000 2.208 492 E HA 0.031 4.264 4.350 -0.196 0.000 0.193 492 E C 2.695 179.240 176.600 -0.092 0.000 0.988 492 E CA 1.843 58.204 56.400 -0.065 0.000 0.828 492 E CB -0.200 29.462 29.700 -0.063 0.000 0.763 492 E HN 0.565 nan 8.360 nan 0.000 0.478 493 T N -0.299 114.175 114.554 -0.133 0.000 2.812 493 T HA -0.158 4.075 4.350 -0.196 0.000 0.264 493 T C 1.843 176.471 174.700 -0.120 0.000 1.042 493 T CA 1.600 63.579 62.100 -0.202 0.000 1.140 493 T CB -0.138 68.496 68.868 -0.390 0.000 0.870 493 T HN 0.077 nan 8.240 nan 0.000 0.445 494 K N -0.136 120.222 120.400 -0.071 0.000 2.026 494 K HA -0.122 4.081 4.320 -0.196 0.000 0.208 494 K C 2.578 179.164 176.600 -0.024 0.000 1.048 494 K CA 1.274 57.549 56.287 -0.020 0.000 0.929 494 K CB -0.180 32.318 32.500 -0.002 0.000 0.713 494 K HN 0.305 nan 8.250 nan 0.000 0.439 495 Q N 0.789 120.569 119.800 -0.034 0.000 2.084 495 Q HA -0.189 4.034 4.340 -0.196 0.000 0.202 495 Q C 2.239 178.215 176.000 -0.040 0.000 0.978 495 Q CA 1.925 57.709 55.803 -0.032 0.000 0.844 495 Q CB -0.098 28.623 28.738 -0.030 0.000 0.898 495 Q HN 0.469 nan 8.270 nan 0.000 0.426 496 R N -0.150 120.322 120.500 -0.047 0.000 2.092 496 R HA -0.072 4.150 4.340 -0.196 0.000 0.231 496 R C 2.227 178.501 176.300 -0.043 0.000 1.119 496 R CA 1.096 57.169 56.100 -0.045 0.000 0.970 496 R CB -0.550 29.719 30.300 -0.052 0.000 0.864 496 R HN 0.185 nan 8.270 nan 0.000 0.440 497 L N 0.806 122.007 121.223 -0.037 0.000 2.109 497 L HA -0.081 4.141 4.340 -0.196 0.000 0.207 497 L C 2.768 179.591 176.870 -0.079 0.000 1.086 497 L CA 1.294 56.118 54.840 -0.027 0.000 0.760 497 L CB -0.475 41.599 42.059 0.025 0.000 0.910 497 L HN 0.314 nan 8.230 nan 0.000 0.437 498 Q N -0.461 119.284 119.800 -0.092 0.000 2.096 498 Q HA -0.208 4.015 4.340 -0.196 0.000 0.204 498 Q C 2.424 178.339 176.000 -0.142 0.000 0.982 498 Q CA 1.938 57.643 55.803 -0.164 0.000 0.850 498 Q CB -0.122 28.558 28.738 -0.098 0.000 0.901 498 Q HN 0.401 nan 8.270 nan 0.000 0.422 499 S N 0.671 116.320 115.700 -0.084 0.000 2.383 499 S HA -0.107 4.245 4.470 -0.196 0.000 0.227 499 S C 1.770 176.333 174.600 -0.061 0.000 1.026 499 S CA 0.652 58.815 58.200 -0.061 0.000 0.981 499 S CB -0.169 63.007 63.200 -0.039 0.000 0.818 499 S HN 0.236 nan 8.310 nan 0.000 0.472 500 L N 1.873 123.059 121.223 -0.063 0.000 2.017 500 L HA -0.042 4.181 4.340 -0.196 0.000 0.208 500 L C 2.164 178.990 176.870 -0.074 0.000 1.073 500 L CA 1.685 56.491 54.840 -0.057 0.000 0.745 500 L CB -0.769 41.262 42.059 -0.047 0.000 0.894 500 L HN 0.120 nan 8.230 nan 0.000 0.432 501 V N -0.115 119.731 119.914 -0.113 0.000 2.343 501 V HA -0.316 3.687 4.120 -0.196 0.000 0.247 501 V C 2.651 178.678 176.094 -0.113 0.000 1.051 501 V CA 2.169 64.388 62.300 -0.134 0.000 1.036 501 V CB -0.745 30.933 31.823 -0.241 0.000 0.654 501 V HN 0.524 nan 8.190 nan 0.000 0.451 502 K N -0.400 119.929 120.400 -0.118 0.000 2.026 502 K HA -0.213 3.990 4.320 -0.196 0.000 0.208 502 K C 2.373 178.951 176.600 -0.038 0.000 1.048 502 K CA 1.992 58.233 56.287 -0.076 0.000 0.929 502 K CB -0.399 32.061 32.500 -0.067 0.000 0.713 502 K HN 0.442 nan 8.250 nan 0.000 0.439 503 T N 0.533 115.068 114.554 -0.032 0.000 2.821 503 T HA -0.048 4.184 4.350 -0.196 0.000 0.267 503 T C 1.792 176.490 174.700 -0.005 0.000 1.046 503 T CA 1.189 63.284 62.100 -0.009 0.000 1.139 503 T CB -0.131 68.736 68.868 -0.003 0.000 0.871 503 T HN 0.216 nan 8.240 nan 0.000 0.454 504 I N 0.542 121.100 120.570 -0.020 0.000 2.179 504 I HA -0.125 3.928 4.170 -0.196 0.000 0.242 504 I C 2.499 178.626 176.117 0.016 0.000 1.088 504 I CA 0.925 62.218 61.300 -0.011 0.000 1.357 504 I CB -0.353 37.629 38.000 -0.030 0.000 1.051 504 I HN 0.121 nan 8.210 nan 0.000 0.409 505 V N 0.414 120.327 119.914 -0.001 0.000 2.343 505 V HA -0.307 3.696 4.120 -0.196 0.000 0.247 505 V C 2.342 178.453 176.094 0.030 0.000 1.051 505 V CA 1.846 64.151 62.300 0.008 0.000 1.036 505 V CB -0.727 31.072 31.823 -0.040 0.000 0.654 505 V HN 0.489 nan 8.190 nan 0.000 0.451 506 Q N 0.116 119.930 119.800 0.023 0.000 2.297 506 Q HA -0.114 4.109 4.340 -0.196 0.000 0.204 506 Q C 2.337 178.369 176.000 0.054 0.000 0.962 506 Q CA 1.494 57.319 55.803 0.036 0.000 0.879 506 Q CB -0.162 28.593 28.738 0.028 0.000 0.947 506 Q HN 0.812 nan 8.270 nan 0.000 0.462 507 S N -0.069 115.667 115.700 0.060 0.000 2.489 507 S HA -0.063 4.289 4.470 -0.196 0.000 0.228 507 S C 0.645 175.314 174.600 0.114 0.000 0.995 507 S CA 0.157 58.406 58.200 0.082 0.000 0.934 507 S CB 0.173 63.415 63.200 0.071 0.000 0.771 507 S HN 0.090 nan 8.310 nan 0.000 0.522 508 D N 2.583 123.057 120.400 0.123 0.000 2.441 508 D HA 0.281 4.804 4.640 -0.196 0.000 0.221 508 D C 0.914 177.292 176.300 0.129 0.000 1.156 508 D CA 0.003 54.106 54.000 0.172 0.000 0.896 508 D CB 1.102 42.035 40.800 0.221 0.000 1.028 508 D HN 0.378 nan 8.370 nan 0.000 0.509 509 S N 2.716 118.496 115.700 0.133 0.000 2.562 509 S HA -0.108 4.244 4.470 -0.196 0.000 0.221 509 S C 1.553 176.222 174.600 0.115 0.000 0.975 509 S CA -0.103 58.159 58.200 0.104 0.000 0.918 509 S CB -0.194 63.067 63.200 0.101 0.000 0.772 509 S HN 0.575 nan 8.310 nan 0.000 0.531 510 Y N 1.151 121.435 120.300 -0.028 0.000 2.353 510 Y HA 0.377 4.810 4.550 -0.195 0.000 0.294 510 Y C 0.334 176.215 175.900 -0.032 0.000 1.135 510 Y CA -0.336 57.718 58.100 -0.078 0.000 1.176 510 Y CB -0.016 38.311 38.460 -0.223 0.000 1.124 510 Y HN 0.290 nan 8.280 nan 0.000 0.537 511 Y N 1.837 121.911 120.300 -0.375 0.000 2.377 511 Y HA 0.364 4.797 4.550 -0.196 0.000 0.339 511 Y C -0.965 174.856 175.900 -0.131 0.000 1.011 511 Y CA -1.943 55.940 58.100 -0.362 0.000 1.093 511 Y CB 0.805 39.149 38.460 -0.194 0.000 1.201 511 Y HN 0.068 nan 8.280 nan 0.000 0.455 512 D N 4.894 124.881 120.400 -0.688 0.000 2.365 512 D HA 0.038 4.560 4.640 -0.196 0.000 0.237 512 D C 0.854 176.792 176.300 -0.603 0.000 1.190 512 D CA 0.230 53.959 54.000 -0.452 0.000 0.867 512 D CB 1.471 42.084 40.800 -0.312 0.000 1.050 512 D HN 0.569 nan 8.370 nan 0.000 0.491 513 V N 5.066 124.793 119.914 -0.313 0.000 2.453 513 V HA -0.262 3.741 4.120 -0.196 0.000 0.252 513 V C 1.679 177.583 176.094 -0.316 0.000 1.068 513 V CA 1.720 63.860 62.300 -0.265 0.000 1.070 513 V CB -0.670 30.976 31.823 -0.296 0.000 0.664 513 V HN 0.560 nan 8.190 nan 0.000 0.461 514 F N 0.571 120.443 119.950 -0.130 0.000 2.307 514 F HA -0.117 4.292 4.527 -0.196 0.000 0.301 514 F C 2.277 178.018 175.800 -0.097 0.000 1.076 514 F CA 1.601 59.548 58.000 -0.088 0.000 1.383 514 F CB -0.534 38.421 39.000 -0.075 0.000 1.055 514 F HN 0.155 nan 8.300 nan 0.000 0.526 515 K N -0.500 119.868 120.400 -0.053 0.000 2.360 515 K HA -0.162 4.041 4.320 -0.196 0.000 0.201 515 K C 0.861 177.495 176.600 0.057 0.000 1.046 515 K CA 1.082 57.340 56.287 -0.048 0.000 0.945 515 K CB -0.213 32.166 32.500 -0.201 0.000 0.750 515 K HN 0.085 nan 8.250 nan 0.000 0.464 516 N N 0.345 119.093 118.700 0.080 0.000 2.365 516 N HA 0.149 4.772 4.740 -0.196 0.000 0.257 516 N C -1.372 174.149 175.510 0.018 0.000 1.287 516 N CA -0.076 53.024 53.050 0.084 0.000 0.882 516 N CB 0.522 39.101 38.487 0.154 0.000 1.250 516 N HN -0.053 nan 8.380 nan 0.000 0.507 517 L N 0.995 122.224 121.223 0.009 0.000 2.276 517 L HA 0.456 4.679 4.340 -0.196 0.000 0.286 517 L C 0.588 177.456 176.870 -0.004 0.000 1.024 517 L CA -0.453 54.382 54.840 -0.008 0.000 0.826 517 L CB 1.336 43.395 42.059 -0.000 0.000 1.211 517 L HN -0.187 nan 8.230 nan 0.000 0.422 518 K N 1.476 121.841 120.400 -0.059 0.000 2.438 518 K HA 0.228 4.430 4.320 -0.196 0.000 0.205 518 K C 0.282 176.770 176.600 -0.186 0.000 1.033 518 K CA 0.000 56.227 56.287 -0.101 0.000 1.089 518 K CB 0.983 33.428 32.500 -0.093 0.000 0.857 518 K HN 0.675 nan 8.250 nan 0.000 0.522 519 T N -3.540 110.899 114.554 -0.192 0.000 2.896 519 T HA 0.405 4.637 4.350 -0.196 0.000 0.297 519 T C 0.641 175.218 174.700 -0.205 0.000 1.108 519 T CA -0.638 61.288 62.100 -0.291 0.000 1.004 519 T CB 0.834 69.579 68.868 -0.205 0.000 1.159 519 T HN -0.080 nan 8.240 nan 0.000 0.499 520 Y N 0.606 120.949 120.300 0.071 0.000 2.314 520 Y HA 0.201 4.632 4.550 -0.198 0.000 0.293 520 Y C 2.624 178.529 175.900 0.009 0.000 1.129 520 Y CA 0.845 59.007 58.100 0.104 0.000 1.201 520 Y CB -0.349 38.243 38.460 0.219 0.000 0.999 520 Y HN 0.682 nan 8.280 nan 0.000 0.541 521 K N 0.281 120.706 120.400 0.041 0.000 2.148 521 K HA -0.145 4.057 4.320 -0.196 0.000 0.204 521 K C 1.355 177.842 176.600 -0.188 0.000 1.050 521 K CA 1.500 57.638 56.287 -0.248 0.000 0.942 521 K CB -0.024 32.276 32.500 -0.334 0.000 0.724 521 K HN 0.186 nan 8.250 nan 0.000 0.446 522 D N 0.734 121.064 120.400 -0.117 0.000 2.144 522 D HA -0.136 4.387 4.640 -0.196 0.000 0.200 522 D C 1.913 178.186 176.300 -0.045 0.000 0.978 522 D CA 1.067 54.996 54.000 -0.118 0.000 0.833 522 D CB -0.027 40.715 40.800 -0.097 0.000 0.961 522 D HN 0.286 nan 8.370 nan 0.000 0.470 523 I N 0.626 121.233 120.570 0.062 0.000 2.179 523 I HA -0.255 3.797 4.170 -0.196 0.000 0.242 523 I C 2.617 178.834 176.117 0.168 0.000 1.088 523 I CA 0.834 62.268 61.300 0.224 0.000 1.357 523 I CB -0.225 37.931 38.000 0.260 0.000 1.051 523 I HN -0.061 nan 8.210 nan 0.000 0.409 524 S N 1.060 116.787 115.700 0.045 0.000 2.356 524 S HA -0.162 4.190 4.470 -0.196 0.000 0.223 524 S C 2.117 176.690 174.600 -0.044 0.000 1.032 524 S CA 1.346 59.537 58.200 -0.014 0.000 1.005 524 S CB -0.377 62.763 63.200 -0.101 0.000 0.867 524 S HN 0.314 nan 8.310 nan 0.000 0.449 525 L N 0.357 121.491 121.223 -0.148 0.000 2.012 525 L HA -0.148 4.074 4.340 -0.196 0.000 0.210 525 L C 2.746 179.581 176.870 -0.057 0.000 1.073 525 L CA 1.843 56.529 54.840 -0.257 0.000 0.748 525 L CB -0.458 41.233 42.059 -0.614 0.000 0.891 525 L HN 0.424 nan 8.230 nan 0.000 0.431 526 M N -0.428 119.179 119.600 0.013 0.000 2.132 526 M HA -0.213 4.149 4.480 -0.196 0.000 0.263 526 M C 2.203 178.632 176.300 0.215 0.000 1.065 526 M CA 1.794 57.193 55.300 0.164 0.000 1.122 526 M CB -0.309 32.265 32.600 -0.043 0.000 1.365 526 M HN 0.128 nan 8.290 nan 0.000 0.411 527 Q N -1.307 118.642 119.800 0.248 0.000 2.084 527 Q HA -0.171 4.052 4.340 -0.196 0.000 0.202 527 Q C 2.257 178.331 176.000 0.122 0.000 0.978 527 Q CA 1.938 57.868 55.803 0.212 0.000 0.844 527 Q CB -0.397 28.419 28.738 0.131 0.000 0.898 527 Q HN 0.667 nan 8.270 nan 0.000 0.426 528 S N 0.516 116.273 115.700 0.096 0.000 2.356 528 S HA -0.133 4.220 4.470 -0.196 0.000 0.223 528 S C 1.855 176.505 174.600 0.085 0.000 1.032 528 S CA 0.645 58.887 58.200 0.070 0.000 1.005 528 S CB -0.263 62.966 63.200 0.049 0.000 0.867 528 S HN 0.403 nan 8.310 nan 0.000 0.449 529 L N 0.991 122.295 121.223 0.135 0.000 1.989 529 L HA -0.077 4.145 4.340 -0.196 0.000 0.211 529 L C 2.336 179.234 176.870 0.046 0.000 1.071 529 L CA 1.897 56.791 54.840 0.090 0.000 0.749 529 L CB -0.722 41.403 42.059 0.110 0.000 0.890 529 L HN 0.445 nan 8.230 nan 0.000 0.431 530 L N -0.349 120.917 121.223 0.070 0.000 2.141 530 L HA -0.162 4.060 4.340 -0.196 0.000 0.209 530 L C 2.552 179.450 176.870 0.047 0.000 1.094 530 L CA 1.397 56.271 54.840 0.057 0.000 0.763 530 L CB -0.386 41.730 42.059 0.096 0.000 0.908 530 L HN 0.409 nan 8.230 nan 0.000 0.437 531 S N -2.839 112.891 115.700 0.049 0.000 2.535 531 S HA -0.009 4.343 4.470 -0.196 0.000 0.214 531 S C 0.686 175.300 174.600 0.024 0.000 0.980 531 S CA -0.386 57.834 58.200 0.033 0.000 0.907 531 S CB -0.131 63.087 63.200 0.030 0.000 0.790 531 S HN 0.212 nan 8.310 nan 0.000 0.510 532 D N 2.146 122.561 120.400 0.025 0.000 2.374 532 D HA 0.525 5.048 4.640 -0.196 0.000 0.240 532 D C 1.106 177.412 176.300 0.011 0.000 1.229 532 D CA 0.025 54.035 54.000 0.017 0.000 0.895 532 D CB 1.125 41.937 40.800 0.020 0.000 1.046 532 D HN 0.217 nan 8.370 nan 0.000 0.498 533 A N 3.234 126.059 122.820 0.009 0.000 2.070 533 A HA -0.028 4.174 4.320 -0.196 0.000 0.220 533 A C 2.024 179.611 177.584 0.004 0.000 1.159 533 A CA 1.404 53.445 52.037 0.007 0.000 0.656 533 A CB -0.381 18.623 19.000 0.006 0.000 0.800 533 A HN 0.602 nan 8.150 nan 0.000 0.453 534 G N -0.897 107.905 108.800 0.003 0.000 2.509 534 G HA2 0.182 4.025 3.960 -0.196 0.000 0.218 534 G HA3 0.182 4.025 3.960 -0.196 0.000 0.218 534 G C 0.481 175.380 174.900 -0.003 0.000 1.124 534 G CA 0.744 45.844 45.100 0.000 0.000 0.776 534 G HN 0.287 nan 8.290 nan 0.000 0.547 535 V N 1.684 121.596 119.914 -0.004 0.000 2.385 535 V HA 0.584 4.586 4.120 -0.196 0.000 0.269 535 V C 0.755 176.842 176.094 -0.012 0.000 1.043 535 V CA -1.074 61.218 62.300 -0.012 0.000 0.906 535 V CB 0.588 32.399 31.823 -0.020 0.000 0.995 535 V HN 0.391 nan 8.190 nan 0.000 0.467 536 A N 4.200 127.012 122.820 -0.013 0.000 2.462 536 A HA 0.488 4.691 4.320 -0.196 0.000 0.243 536 A C 0.562 178.140 177.584 -0.010 0.000 1.076 536 A CA 0.114 52.147 52.037 -0.008 0.000 0.773 536 A CB 0.488 19.485 19.000 -0.006 0.000 1.010 536 A HN 0.875 nan 8.150 nan 0.000 0.493 537 S N 1.911 117.610 115.700 -0.002 0.000 2.539 537 S HA 0.499 4.851 4.470 -0.196 0.000 0.235 537 S C -1.015 173.592 174.600 0.012 0.000 1.326 537 S CA -0.471 57.729 58.200 0.001 0.000 1.183 537 S CB -0.043 63.159 63.200 0.003 0.000 1.073 537 S HN 0.678 nan 8.310 nan 0.000 0.480 538 V N 5.911 125.833 119.914 0.014 0.000 2.513 538 V HA 0.533 4.535 4.120 -0.196 0.000 0.299 538 V C -2.166 173.950 176.094 0.037 0.000 1.035 538 V CA -2.068 60.247 62.300 0.025 0.000 0.889 538 V CB 1.563 33.400 31.823 0.022 0.000 0.988 538 V HN 0.623 nan 8.190 nan 0.000 0.440 539 P HA 0.101 nan 4.420 nan 0.000 0.263 539 P C -0.143 177.214 177.300 0.095 0.000 1.175 539 P CA 0.128 63.274 63.100 0.078 0.000 0.761 539 P CB 0.352 32.106 31.700 0.089 0.000 0.794 540 R N 0.981 121.549 120.500 0.113 0.000 2.643 540 R HA 0.245 4.467 4.340 -0.196 0.000 0.270 540 R C 1.028 177.472 176.300 0.240 0.000 1.061 540 R CA 0.108 56.293 56.100 0.141 0.000 1.107 540 R CB 0.177 30.536 30.300 0.097 0.000 0.999 540 R HN 0.426 nan 8.270 nan 0.000 0.460 541 T N 0.417 115.097 114.554 0.209 0.000 2.788 541 T HA 0.134 4.367 4.350 -0.196 0.000 0.280 541 T C 0.109 174.973 174.700 0.274 0.000 0.984 541 T CA -0.482 61.730 62.100 0.188 0.000 0.972 541 T CB 0.726 69.664 68.868 0.117 0.000 1.039 541 T HN 0.514 nan 8.240 nan 0.000 0.530 542 S N 1.612 117.374 115.700 0.104 0.000 2.572 542 S HA 0.441 4.794 4.470 -0.196 0.000 0.279 542 S C -0.960 173.714 174.600 0.124 0.000 1.341 542 S CA -0.182 58.013 58.200 -0.009 0.000 1.043 542 S CB -0.151 62.967 63.200 -0.137 0.000 0.887 542 S HN 0.649 nan 8.310 nan 0.000 0.516 543 Y N -0.401 119.944 120.300 0.076 0.000 2.638 543 Y HA 0.769 5.202 4.550 -0.195 0.000 0.335 543 Y C -1.522 174.392 175.900 0.024 0.000 1.155 543 Y CA -1.535 56.589 58.100 0.041 0.000 1.046 543 Y CB 1.162 39.651 38.460 0.048 0.000 1.303 543 Y HN 0.513 nan 8.280 nan 0.000 0.460 544 L N 2.252 123.598 121.223 0.204 0.000 2.528 544 L HA 0.625 4.848 4.340 -0.196 0.000 0.267 544 L C -1.465 175.416 176.870 0.018 0.000 0.961 544 L CA -0.331 54.568 54.840 0.098 0.000 0.866 544 L CB 1.940 44.011 42.059 0.020 0.000 1.248 544 L HN 0.837 nan 8.230 nan 0.000 0.404 545 S N 3.418 119.070 115.700 -0.080 0.000 2.433 545 S HA 0.656 5.008 4.470 -0.196 0.000 0.310 545 S C 0.035 174.298 174.600 -0.561 0.000 1.097 545 S CA -0.454 57.479 58.200 -0.445 0.000 1.103 545 S CB 1.622 64.337 63.200 -0.809 0.000 0.992 545 S HN 0.655 nan 8.310 nan 0.000 0.469 546 A N 3.459 126.013 122.820 -0.444 0.000 2.621 546 A HA 0.542 4.745 4.320 -0.196 0.000 0.329 546 A C -0.472 176.930 177.584 -0.302 0.000 1.458 546 A CA -0.491 51.355 52.037 -0.318 0.000 1.052 546 A CB -0.659 18.191 19.000 -0.250 0.000 1.142 546 A HN 0.695 nan 8.150 nan 0.000 0.523 547 F N 2.210 122.126 119.950 -0.057 0.000 2.659 547 F HA 0.129 4.538 4.527 -0.195 0.000 0.360 547 F C 1.353 177.100 175.800 -0.089 0.000 1.218 547 F CA -0.564 57.400 58.000 -0.060 0.000 1.317 547 F CB -0.407 38.566 39.000 -0.045 0.000 1.697 547 F HN 0.550 nan 8.300 nan 0.000 0.637 548 N N 0.974 119.681 118.700 0.011 0.000 2.289 548 N HA -0.131 4.492 4.740 -0.196 0.000 0.184 548 N C 1.749 177.247 175.510 -0.021 0.000 1.016 548 N CA 0.872 53.907 53.050 -0.026 0.000 0.872 548 N CB 0.144 38.557 38.487 -0.123 0.000 0.973 548 N HN 0.304 nan 8.380 nan 0.000 0.433 549 K N 0.758 121.109 120.400 -0.083 0.000 2.486 549 K HA 0.044 4.246 4.320 -0.196 0.000 0.194 549 K C 1.439 177.849 176.600 -0.316 0.000 1.033 549 K CA 0.346 56.464 56.287 -0.281 0.000 1.004 549 K CB 0.070 32.209 32.500 -0.602 0.000 0.798 549 K HN 0.456 nan 8.250 nan 0.000 0.495 550 M N -1.950 117.563 119.600 -0.146 0.000 2.410 550 M HA 0.257 4.620 4.480 -0.196 0.000 0.376 550 M C -1.085 175.210 176.300 -0.008 0.000 1.051 550 M CA -0.116 55.123 55.300 -0.101 0.000 0.949 550 M CB 0.581 33.101 32.600 -0.134 0.000 1.577 550 M HN -0.207 nan 8.290 nan 0.000 0.560 551 D N 1.938 122.351 120.400 0.022 0.000 2.772 551 D HA -0.107 4.416 4.640 -0.196 0.000 0.233 551 D C -0.739 175.596 176.300 0.059 0.000 1.143 551 D CA 1.044 55.074 54.000 0.051 0.000 0.700 551 D CB -0.531 40.318 40.800 0.082 0.000 1.076 551 D HN 0.507 nan 8.370 nan 0.000 0.430 552 K N -0.149 120.303 120.400 0.086 0.000 2.385 552 K HA 0.674 4.877 4.320 -0.196 0.000 0.248 552 K C 0.103 176.797 176.600 0.156 0.000 0.955 552 K CA -0.490 55.861 56.287 0.106 0.000 0.816 552 K CB 2.192 34.761 32.500 0.114 0.000 1.250 552 K HN -0.134 nan 8.250 nan 0.000 0.434 553 T N 0.440 115.048 114.554 0.090 0.000 2.921 553 T HA 0.640 4.873 4.350 -0.196 0.000 0.297 553 T C -1.190 173.572 174.700 0.104 0.000 1.013 553 T CA -0.710 61.423 62.100 0.055 0.000 0.990 553 T CB 1.778 70.648 68.868 0.003 0.000 1.023 553 T HN 0.601 nan 8.240 nan 0.000 0.447 554 A N 3.721 126.611 122.820 0.116 0.000 2.330 554 A HA 0.878 5.081 4.320 -0.196 0.000 0.313 554 A C -0.634 177.077 177.584 0.211 0.000 1.124 554 A CA -0.773 51.389 52.037 0.208 0.000 0.774 554 A CB 1.225 20.417 19.000 0.320 0.000 1.198 554 A HN 0.867 nan 8.150 nan 0.000 0.465 555 M N 2.971 122.711 119.600 0.233 0.000 2.457 555 M HA 0.691 5.054 4.480 -0.196 0.000 0.300 555 M C -2.354 173.923 176.300 -0.037 0.000 1.141 555 M CA -0.658 54.704 55.300 0.103 0.000 0.901 555 M CB 2.082 34.817 32.600 0.225 0.000 1.687 555 M HN 0.804 nan 8.290 nan 0.000 0.449 556 Y N 3.471 123.418 120.300 -0.589 0.000 2.396 556 Y HA 0.428 4.861 4.550 -0.195 0.000 0.332 556 Y C -1.723 173.813 175.900 -0.608 0.000 1.034 556 Y CA -0.775 56.914 58.100 -0.686 0.000 1.057 556 Y CB 1.674 39.499 38.460 -1.058 0.000 1.220 556 Y HN 0.832 nan 8.280 nan 0.000 0.440 557 N N 4.212 122.093 118.700 -1.364 0.000 2.469 557 N HA 0.526 5.149 4.740 -0.196 0.000 0.253 557 N C 0.260 175.041 175.510 -1.215 0.000 0.970 557 N CA 0.322 52.706 53.050 -1.109 0.000 0.940 557 N CB 1.420 39.220 38.487 -1.145 0.000 1.128 557 N HN 0.817 nan 8.380 nan 0.000 0.503 558 A N 3.009 125.345 122.820 -0.807 0.000 2.016 558 A HA -0.101 4.101 4.320 -0.196 0.000 0.217 558 A C 1.867 179.329 177.584 -0.203 0.000 1.162 558 A CA 0.846 52.632 52.037 -0.419 0.000 0.662 558 A CB -0.357 18.601 19.000 -0.071 0.000 0.812 558 A HN 0.870 nan 8.150 nan 0.000 0.450 559 E N 0.139 120.226 120.200 -0.189 0.000 2.047 559 E HA -0.170 4.063 4.350 -0.196 0.000 0.191 559 E C 1.662 178.231 176.600 -0.051 0.000 0.987 559 E CA 1.314 57.663 56.400 -0.085 0.000 0.799 559 E CB -0.063 29.595 29.700 -0.069 0.000 0.752 559 E HN 0.570 nan 8.360 nan 0.000 0.449 560 K N -1.213 119.144 120.400 -0.072 0.000 2.334 560 K HA 0.127 4.329 4.320 -0.196 0.000 0.195 560 K C 0.556 177.205 176.600 0.082 0.000 1.045 560 K CA 0.524 56.843 56.287 0.053 0.000 1.004 560 K CB 0.973 33.589 32.500 0.192 0.000 0.837 560 K HN 0.266 nan 8.250 nan 0.000 0.510 561 G N 2.592 111.346 108.800 -0.076 0.000 2.303 561 G HA2 -0.227 3.616 3.960 -0.196 0.000 0.260 561 G HA3 -0.227 3.616 3.960 -0.196 0.000 0.260 561 G C -0.365 174.646 174.900 0.186 0.000 1.106 561 G CA 0.168 45.282 45.100 0.024 0.000 0.900 561 G HN 0.318 nan 8.290 nan 0.000 0.495 562 F N -1.047 118.899 119.950 -0.007 0.000 2.599 562 F HA 0.880 5.290 4.527 -0.196 0.000 0.311 562 F C 0.214 176.152 175.800 0.229 0.000 1.076 562 F CA -1.318 56.775 58.000 0.155 0.000 0.937 562 F CB 1.141 40.215 39.000 0.124 0.000 1.282 562 F HN 0.434 nan 8.300 nan 0.000 0.460 563 G N 1.085 110.243 108.800 0.596 0.000 2.489 563 G HA2 0.649 4.492 3.960 -0.196 0.000 0.327 563 G HA3 0.649 4.492 3.960 -0.196 0.000 0.327 563 G C -2.483 172.901 174.900 0.806 0.000 1.189 563 G CA -0.900 44.555 45.100 0.591 0.000 0.962 563 G HN 0.872 nan 8.290 nan 0.000 0.486 564 F N 0.546 120.793 119.950 0.495 0.000 2.573 564 F HA 0.667 5.077 4.527 -0.195 0.000 0.316 564 F C -0.016 176.017 175.800 0.388 0.000 1.148 564 F CA -0.704 57.579 58.000 0.472 0.000 0.940 564 F CB 2.084 41.339 39.000 0.426 0.000 1.214 564 F HN 0.750 nan 8.300 nan 0.000 0.448 565 G N 5.354 114.048 108.800 -0.177 0.000 2.513 565 G HA2 0.592 4.435 3.960 -0.196 0.000 0.317 565 G HA3 0.592 4.435 3.960 -0.196 0.000 0.317 565 G C -2.513 172.127 174.900 -0.434 0.000 1.277 565 G CA -0.760 44.240 45.100 -0.167 0.000 0.955 565 G HN 0.713 nan 8.290 nan 0.000 0.484 566 L N 1.984 123.028 121.223 -0.299 0.000 2.343 566 L HA 0.712 4.935 4.340 -0.196 0.000 0.278 566 L C -0.043 176.750 176.870 -0.129 0.000 0.996 566 L CA -0.595 54.060 54.840 -0.309 0.000 0.831 566 L CB 2.100 43.919 42.059 -0.400 0.000 1.232 566 L HN 0.389 nan 8.230 nan 0.000 0.413 567 S N 6.117 121.798 115.700 -0.031 0.000 2.461 567 S HA 0.738 5.091 4.470 -0.196 0.000 0.322 567 S C -0.564 174.094 174.600 0.097 0.000 1.063 567 S CA -0.562 57.683 58.200 0.075 0.000 1.120 567 S CB -0.155 63.169 63.200 0.207 0.000 0.968 567 S HN 0.600 nan 8.310 nan 0.000 0.467 568 L N 4.109 125.398 121.223 0.109 0.000 2.235 568 L HA 0.839 5.061 4.340 -0.196 0.000 0.260 568 L C -0.551 176.542 176.870 0.372 0.000 1.025 568 L CA -1.240 53.730 54.840 0.216 0.000 0.836 568 L CB 1.459 43.572 42.059 0.090 0.000 1.395 568 L HN 0.688 nan 8.230 nan 0.000 0.443 569 F N -1.100 118.941 119.950 0.151 0.000 2.715 569 F HA 0.864 5.274 4.527 -0.195 0.000 0.318 569 F C -0.548 175.345 175.800 0.155 0.000 1.141 569 F CA -0.779 57.303 58.000 0.135 0.000 0.950 569 F CB 1.314 40.406 39.000 0.153 0.000 1.374 569 F HN 0.552 nan 8.300 nan 0.000 0.477 570 S N -0.778 114.925 115.700 0.004 0.000 2.790 570 S HA 0.387 4.740 4.470 -0.196 0.000 0.292 570 S C 0.308 174.921 174.600 0.022 0.000 1.197 570 S CA -0.088 58.063 58.200 -0.082 0.000 0.851 570 S CB 0.590 63.790 63.200 0.001 0.000 1.217 570 S HN 1.522 nan 8.310 nan 0.000 0.526 571 S N 0.352 116.067 115.700 0.024 0.000 2.469 571 S HA -0.072 4.281 4.470 -0.196 0.000 0.238 571 S C 1.340 175.987 174.600 0.078 0.000 0.998 571 S CA 0.806 59.043 58.200 0.061 0.000 0.957 571 S CB -0.645 62.582 63.200 0.046 0.000 0.764 571 S HN 0.694 nan 8.310 nan 0.000 0.514 572 R N 1.211 121.754 120.500 0.071 0.000 2.290 572 R HA 0.178 4.401 4.340 -0.196 0.000 0.197 572 R C 0.240 176.583 176.300 0.072 0.000 0.913 572 R CA 0.891 57.027 56.100 0.060 0.000 1.040 572 R CB 0.312 30.632 30.300 0.034 0.000 0.992 572 R HN 0.641 nan 8.270 nan 0.000 0.500 573 T N -2.078 112.553 114.554 0.127 0.000 2.900 573 T HA 0.417 4.650 4.350 -0.196 0.000 0.303 573 T C -0.801 174.037 174.700 0.230 0.000 1.142 573 T CA -0.938 61.245 62.100 0.138 0.000 1.007 573 T CB 1.916 70.860 68.868 0.127 0.000 1.156 573 T HN -0.134 nan 8.240 nan 0.000 0.490 574 L N 3.106 124.398 121.223 0.115 0.000 2.371 574 L HA 0.352 4.575 4.340 -0.196 0.000 0.272 574 L C 1.520 178.350 176.870 -0.066 0.000 1.124 574 L CA -0.225 54.645 54.840 0.049 0.000 0.816 574 L CB 0.677 42.717 42.059 -0.032 0.000 1.129 574 L HN 0.894 nan 8.230 nan 0.000 0.448 575 N N 2.685 121.164 118.700 -0.369 0.000 2.080 575 N HA -0.124 4.498 4.740 -0.196 0.000 0.189 575 N C -0.418 175.007 175.510 -0.143 0.000 1.036 575 N CA 1.709 54.342 53.050 -0.695 0.000 0.846 575 N CB -0.461 37.171 38.487 -1.425 0.000 1.015 575 N HN 0.572 nan 8.380 nan 0.000 0.423 576 Y N -2.596 117.562 120.300 -0.237 0.000 2.571 576 Y HA 0.612 5.044 4.550 -0.196 0.000 0.341 576 Y C -1.304 174.534 175.900 -0.104 0.000 1.076 576 Y CA -1.828 56.171 58.100 -0.168 0.000 1.029 576 Y CB 0.877 39.239 38.460 -0.163 0.000 1.308 576 Y HN 0.054 nan 8.280 nan 0.000 0.461 577 E N 2.624 122.699 120.200 -0.209 0.000 2.092 577 E HA 0.195 4.428 4.350 -0.196 0.000 0.271 577 E C -1.643 174.911 176.600 -0.076 0.000 0.919 577 E CA -0.645 55.646 56.400 -0.182 0.000 0.760 577 E CB 0.539 30.239 29.700 0.000 0.000 1.106 577 E HN 0.882 nan 8.360 nan 0.000 0.408 578 H N 6.238 125.130 119.070 -0.296 0.000 2.581 578 H HA 0.450 4.888 4.556 -0.196 0.000 0.308 578 H C -1.004 174.274 175.328 -0.083 0.000 1.040 578 H CA -0.783 55.192 56.048 -0.122 0.000 1.231 578 H CB 0.796 30.506 29.762 -0.088 0.000 1.396 578 H HN 0.525 nan 8.280 nan 0.000 0.467 579 M N 4.829 124.543 119.600 0.191 0.000 2.465 579 M HA 0.163 4.525 4.480 -0.196 0.000 0.284 579 M C -0.947 175.413 176.300 0.098 0.000 1.212 579 M CA -0.549 54.777 55.300 0.043 0.000 0.910 579 M CB 1.647 34.269 32.600 0.036 0.000 1.725 579 M HN 0.821 nan 8.290 nan 0.000 0.477 580 N N 2.766 121.491 118.700 0.042 0.000 2.725 580 N HA -0.188 4.435 4.740 -0.196 0.000 0.249 580 N C -0.846 174.712 175.510 0.081 0.000 1.103 580 N CA 1.668 54.746 53.050 0.047 0.000 0.707 580 N CB -1.280 37.226 38.487 0.031 0.000 1.043 580 N HN 0.860 nan 8.380 nan 0.000 0.553 581 K N -2.234 118.254 120.400 0.146 0.000 3.209 581 K HA -0.248 3.955 4.320 -0.196 0.000 0.289 581 K C -0.635 176.036 176.600 0.119 0.000 1.191 581 K CA 1.332 57.733 56.287 0.191 0.000 0.851 581 K CB -1.182 31.382 32.500 0.108 0.000 1.242 581 K HN 0.565 nan 8.250 nan 0.000 0.480 582 E N 0.902 121.182 120.200 0.134 0.000 2.183 582 E HA 0.291 4.524 4.350 -0.196 0.000 0.271 582 E C -0.136 176.451 176.600 -0.022 0.000 0.919 582 E CA -1.114 55.310 56.400 0.040 0.000 0.781 582 E CB 1.218 30.948 29.700 0.049 0.000 1.140 582 E HN 0.200 nan 8.360 nan 0.000 0.402 583 N N 1.978 120.607 118.700 -0.118 0.000 2.771 583 N HA -0.169 4.454 4.740 -0.196 0.000 0.249 583 N C -0.107 175.183 175.510 -0.367 0.000 1.069 583 N CA 0.544 53.478 53.050 -0.192 0.000 0.688 583 N CB -0.766 37.663 38.487 -0.097 0.000 0.928 583 N HN 0.547 nan 8.380 nan 0.000 0.551 584 K N -0.079 120.009 120.400 -0.521 0.000 2.283 584 K HA 0.020 4.223 4.320 -0.196 0.000 0.202 584 K C 0.822 176.959 176.600 -0.772 0.000 1.048 584 K CA 0.961 56.817 56.287 -0.717 0.000 0.948 584 K CB 0.111 32.334 32.500 -0.462 0.000 0.742 584 K HN 0.357 nan 8.250 nan 0.000 0.458 585 R N -0.266 119.671 120.500 -0.938 0.000 2.700 585 R HA 0.110 4.333 4.340 -0.196 0.000 0.399 585 R C 0.884 176.308 176.300 -1.460 0.000 1.115 585 R CA -0.189 54.863 56.100 -1.746 0.000 1.058 585 R CB 1.145 30.668 30.300 -1.295 0.000 1.389 585 R HN 0.083 nan 8.270 nan 0.000 0.582 586 G N 0.057 108.203 108.800 -1.090 0.000 3.124 586 G HA2 -0.103 3.739 3.960 -0.196 0.000 0.212 586 G HA3 -0.103 3.739 3.960 -0.196 0.000 0.212 586 G C 0.732 174.923 174.900 -1.181 0.000 1.181 586 G CA -0.338 44.290 45.100 -0.786 0.000 0.803 586 G HN 0.338 nan 8.290 nan 0.000 0.529 587 W N 0.358 120.828 121.300 -1.384 0.000 2.274 587 W HA -0.177 4.366 4.660 -0.195 0.000 0.314 587 W C 0.982 176.992 176.519 -0.849 0.000 1.254 587 W CA 0.872 57.304 57.345 -1.521 0.000 1.265 587 W CB -0.801 27.706 29.460 -1.589 0.000 1.141 587 W HN 0.372 nan 8.180 nan 0.000 0.505 588 Y N -0.104 120.155 120.300 -0.068 0.000 2.612 588 Y HA 0.090 4.523 4.550 -0.195 0.000 0.250 588 Y C 2.178 178.128 175.900 0.083 0.000 1.175 588 Y CA 0.353 58.503 58.100 0.083 0.000 1.205 588 Y CB -1.141 37.399 38.460 0.134 0.000 1.201 588 Y HN -0.120 nan 8.280 nan 0.000 0.532 589 T N -4.383 110.246 114.554 0.126 0.000 3.113 589 T HA -0.023 4.210 4.350 -0.196 0.000 0.263 589 T C 1.207 176.026 174.700 0.198 0.000 1.143 589 T CA 1.140 63.342 62.100 0.171 0.000 1.090 589 T CB -0.136 68.812 68.868 0.134 0.000 0.922 589 T HN 0.095 nan 8.240 nan 0.000 0.521 590 S N 0.878 116.702 115.700 0.206 0.000 2.855 590 S HA 0.222 4.575 4.470 -0.196 0.000 0.249 590 S C -0.320 174.563 174.600 0.471 0.000 1.033 590 S CA -0.507 57.861 58.200 0.279 0.000 1.038 590 S CB 0.340 63.665 63.200 0.207 0.000 0.960 590 S HN 0.322 nan 8.310 nan 0.000 0.548 591 D N 2.190 122.848 120.400 0.430 0.000 3.038 591 D HA 0.368 4.891 4.640 -0.196 0.000 0.243 591 D C 1.131 177.565 176.300 0.223 0.000 1.245 591 D CA 0.212 54.472 54.000 0.433 0.000 0.871 591 D CB -0.294 40.732 40.800 0.377 0.000 1.089 591 D HN 0.440 nan 8.370 nan 0.000 0.464 592 G N 1.459 110.447 108.800 0.313 0.000 2.225 592 G HA2 -0.335 3.507 3.960 -0.196 0.000 0.264 592 G HA3 -0.335 3.507 3.960 -0.196 0.000 0.264 592 G C 0.358 175.478 174.900 0.367 0.000 1.060 592 G CA 0.111 45.428 45.100 0.361 0.000 0.833 592 G HN 0.436 nan 8.290 nan 0.000 0.498 593 M N 0.365 120.116 119.600 0.251 0.000 2.228 593 M HA 0.616 4.979 4.480 -0.196 0.000 0.351 593 M C 0.505 176.918 176.300 0.188 0.000 1.233 593 M CA -0.556 54.864 55.300 0.199 0.000 1.129 593 M CB 0.176 32.842 32.600 0.109 0.000 1.604 593 M HN 0.549 nan 8.290 nan 0.000 0.457 594 F N 3.820 123.813 119.950 0.071 0.000 2.556 594 F HA 0.710 5.120 4.527 -0.195 0.000 0.327 594 F C -2.267 173.440 175.800 -0.155 0.000 1.059 594 F CA -1.080 56.914 58.000 -0.010 0.000 0.953 594 F CB 0.805 39.972 39.000 0.279 0.000 1.227 594 F HN 0.455 nan 8.300 nan 0.000 0.478 595 Y N 2.664 122.797 120.300 -0.279 0.000 2.409 595 Y HA 0.644 5.077 4.550 -0.195 0.000 0.343 595 Y C -1.018 174.829 175.900 -0.088 0.000 0.973 595 Y CA -1.089 56.784 58.100 -0.378 0.000 1.064 595 Y CB 2.034 40.162 38.460 -0.554 0.000 1.207 595 Y HN 0.782 nan 8.280 nan 0.000 0.452 596 L N 3.959 125.221 121.223 0.066 0.000 2.349 596 L HA 0.556 4.779 4.340 -0.196 0.000 0.278 596 L C -1.991 174.861 176.870 -0.030 0.000 0.996 596 L CA -0.857 54.108 54.840 0.209 0.000 0.825 596 L CB 0.587 42.826 42.059 0.300 0.000 1.243 596 L HN 0.476 nan 8.230 nan 0.000 0.412 597 Y N 5.456 125.992 120.300 0.392 0.000 2.417 597 Y HA 0.483 4.916 4.550 -0.195 0.000 0.336 597 Y C 0.286 176.373 175.900 0.312 0.000 0.961 597 Y CA -0.620 57.680 58.100 0.334 0.000 1.215 597 Y CB 0.673 39.314 38.460 0.301 0.000 1.120 597 Y HN 0.779 nan 8.280 nan 0.000 0.499 598 N N -0.097 118.795 118.700 0.321 0.000 3.294 598 N HA 0.366 4.988 4.740 -0.196 0.000 0.355 598 N C 1.216 176.849 175.510 0.205 0.000 1.497 598 N CA -0.426 52.775 53.050 0.252 0.000 0.707 598 N CB 0.022 38.596 38.487 0.146 0.000 1.732 598 N HN 0.453 nan 8.380 nan 0.000 0.640 599 G N -1.552 107.338 108.800 0.150 0.000 2.559 599 G HA2 -0.128 3.714 3.960 -0.196 0.000 0.216 599 G HA3 -0.128 3.714 3.960 -0.196 0.000 0.216 599 G C -0.069 174.882 174.900 0.086 0.000 1.126 599 G CA 0.617 45.790 45.100 0.122 0.000 0.778 599 G HN 0.690 nan 8.290 nan 0.000 0.543 600 D N 0.455 120.893 120.400 0.064 0.000 2.483 600 D HA 0.215 4.738 4.640 -0.196 0.000 0.220 600 D C 1.486 177.812 176.300 0.044 0.000 1.173 600 D CA -0.509 53.504 54.000 0.022 0.000 0.964 600 D CB 0.421 41.218 40.800 -0.005 0.000 1.046 600 D HN -0.098 nan 8.370 nan 0.000 0.517 601 L N 2.312 123.556 121.223 0.035 0.000 2.275 601 L HA -0.104 4.119 4.340 -0.196 0.000 0.215 601 L C 2.361 179.121 176.870 -0.184 0.000 1.119 601 L CA 1.205 56.096 54.840 0.084 0.000 0.790 601 L CB -0.574 41.557 42.059 0.119 0.000 0.919 601 L HN 0.434 nan 8.230 nan 0.000 0.443 602 S N -2.400 112.994 115.700 -0.510 0.000 2.603 602 S HA -0.143 4.210 4.470 -0.196 0.000 0.220 602 S C 2.024 176.452 174.600 -0.287 0.000 0.967 602 S CA 0.095 57.846 58.200 -0.748 0.000 0.920 602 S CB -0.713 62.119 63.200 -0.613 0.000 0.773 602 S HN 0.545 nan 8.310 nan 0.000 0.529 603 H N 1.062 119.971 119.070 -0.268 0.000 2.289 603 H HA -0.163 4.276 4.556 -0.196 0.000 0.296 603 H C 0.521 175.509 175.328 -0.566 0.000 1.091 603 H CA 2.073 57.866 56.048 -0.426 0.000 1.274 603 H CB -0.339 29.069 29.762 -0.590 0.000 1.364 603 H HN 0.620 nan 8.280 nan 0.000 0.490 604 Y N 0.621 120.781 120.300 -0.233 0.000 2.462 604 Y HA 0.187 4.620 4.550 -0.196 0.000 0.293 604 Y C 0.956 176.836 175.900 -0.033 0.000 1.195 604 Y CA -0.209 57.633 58.100 -0.429 0.000 1.276 604 Y CB 0.420 38.762 38.460 -0.197 0.000 1.082 604 Y HN -0.005 nan 8.280 nan 0.000 0.514 605 S N -1.352 114.411 115.700 0.106 0.000 2.837 605 S HA 0.263 4.615 4.470 -0.196 0.000 0.314 605 S C -0.436 174.286 174.600 0.203 0.000 1.098 605 S CA -0.795 57.557 58.200 0.253 0.000 0.903 605 S CB 0.915 64.289 63.200 0.290 0.000 1.310 605 S HN 0.231 nan 8.310 nan 0.000 0.581 606 D N 0.552 121.126 120.400 0.290 0.000 2.751 606 D HA -0.126 4.396 4.640 -0.196 0.000 0.233 606 D C 0.697 177.125 176.300 0.213 0.000 1.149 606 D CA 1.597 55.739 54.000 0.238 0.000 0.682 606 D CB -1.605 39.282 40.800 0.145 0.000 1.068 606 D HN 1.171 nan 8.370 nan 0.000 0.429 607 G N -1.097 107.910 108.800 0.346 0.000 2.132 607 G HA2 -0.451 3.392 3.960 -0.196 0.000 0.228 607 G HA3 -0.451 3.392 3.960 -0.196 0.000 0.228 607 G C 0.608 175.500 174.900 -0.014 0.000 1.000 607 G CA 0.712 45.924 45.100 0.186 0.000 0.693 607 G HN 0.511 nan 8.290 nan 0.000 0.515 608 Y N -0.415 119.837 120.300 -0.081 0.000 2.081 608 Y HA -0.133 4.299 4.550 -0.196 0.000 0.280 608 Y C 2.555 178.272 175.900 -0.305 0.000 1.163 608 Y CA 2.792 60.766 58.100 -0.211 0.000 1.135 608 Y CB -0.273 37.961 38.460 -0.378 0.000 0.970 608 Y HN 0.382 nan 8.280 nan 0.000 0.498 609 W N 1.008 122.286 121.300 -0.037 0.000 2.388 609 W HA -0.104 4.439 4.660 -0.195 0.000 0.294 609 W C -0.367 175.836 176.519 -0.528 0.000 1.212 609 W CA 1.219 58.429 57.345 -0.224 0.000 1.271 609 W CB -1.435 28.016 29.460 -0.015 0.000 1.126 609 W HN 0.194 nan 8.180 nan 0.000 0.535 610 P HA -0.010 nan 4.420 nan 0.000 0.241 610 P C 1.001 178.071 177.300 -0.382 0.000 1.191 610 P CA 1.753 64.514 63.100 -0.565 0.000 0.771 610 P CB 0.099 31.248 31.700 -0.918 0.000 0.929 611 T N -4.372 109.968 114.554 -0.357 0.000 2.969 611 T HA 0.126 4.359 4.350 -0.196 0.000 0.250 611 T C 0.801 175.195 174.700 -0.510 0.000 1.021 611 T CA -0.156 61.792 62.100 -0.253 0.000 1.003 611 T CB -0.722 68.136 68.868 -0.017 0.000 1.040 611 T HN -0.121 nan 8.240 nan 0.000 0.492 612 V N 3.660 123.115 119.914 -0.765 0.000 2.763 612 V HA 0.226 4.229 4.120 -0.196 0.000 0.306 612 V C 0.184 175.865 176.094 -0.688 0.000 1.059 612 V CA -0.464 61.147 62.300 -1.149 0.000 1.138 612 V CB 0.365 31.408 31.823 -1.300 0.000 0.940 612 V HN 0.570 nan 8.190 nan 0.000 0.489 613 N N 8.497 126.824 118.700 -0.621 0.000 2.405 613 N HA 0.247 4.870 4.740 -0.196 0.000 0.260 613 N C -1.444 173.976 175.510 -0.151 0.000 1.152 613 N CA -1.938 50.948 53.050 -0.274 0.000 0.948 613 N CB 1.385 39.756 38.487 -0.194 0.000 1.111 613 N HN 0.473 nan 8.380 nan 0.000 0.485 614 P HA -0.077 nan 4.420 nan 0.000 0.230 614 P C 0.368 177.714 177.300 0.078 0.000 1.158 614 P CA 0.943 63.973 63.100 -0.117 0.000 0.769 614 P CB 0.009 31.499 31.700 -0.350 0.000 0.807 615 Y N 0.604 121.050 120.300 0.242 0.000 2.546 615 Y HA 0.120 4.553 4.550 -0.195 0.000 0.287 615 Y C 1.395 177.394 175.900 0.166 0.000 1.158 615 Y CA 0.695 58.982 58.100 0.312 0.000 1.307 615 Y CB 0.048 38.615 38.460 0.179 0.000 1.036 615 Y HN -0.104 nan 8.280 nan 0.000 0.532 616 K N 0.248 120.762 120.400 0.191 0.000 3.271 616 K HA 0.225 4.427 4.320 -0.196 0.000 0.192 616 K C -0.673 175.944 176.600 0.029 0.000 1.108 616 K CA -0.299 56.034 56.287 0.076 0.000 0.902 616 K CB 0.414 32.925 32.500 0.017 0.000 0.889 616 K HN -0.024 nan 8.250 nan 0.000 0.520 617 M N 2.713 122.361 119.600 0.080 0.000 2.239 617 M HA 0.124 4.487 4.480 -0.196 0.000 0.348 617 M C -2.250 174.073 176.300 0.038 0.000 1.239 617 M CA -2.704 52.624 55.300 0.047 0.000 1.114 617 M CB -0.682 31.991 32.600 0.122 0.000 1.641 617 M HN 0.017 nan 8.290 nan 0.000 0.453 618 P HA 0.155 nan 4.420 nan 0.000 0.267 618 P C 0.887 178.321 177.300 0.224 0.000 1.205 618 P CA 0.749 63.846 63.100 -0.004 0.000 0.765 618 P CB 0.574 32.079 31.700 -0.325 0.000 0.828 619 G N 2.180 111.244 108.800 0.439 0.000 2.234 619 G HA2 -0.213 3.629 3.960 -0.196 0.000 0.235 619 G HA3 -0.213 3.629 3.960 -0.196 0.000 0.235 619 G C 0.301 175.428 174.900 0.378 0.000 0.997 619 G CA 0.317 45.782 45.100 0.608 0.000 0.623 619 G HN 0.860 nan 8.290 nan 0.000 0.514 620 T N -0.446 114.241 114.554 0.223 0.000 2.909 620 T HA 0.603 4.835 4.350 -0.196 0.000 0.289 620 T C -0.067 174.666 174.700 0.056 0.000 1.005 620 T CA 0.521 62.689 62.100 0.112 0.000 1.084 620 T CB 2.034 70.945 68.868 0.073 0.000 0.975 620 T HN 0.346 nan 8.240 nan 0.000 0.509 621 T N 3.862 118.414 114.554 -0.002 0.000 2.772 621 T HA 0.551 4.784 4.350 -0.196 0.000 0.288 621 T C -0.662 174.105 174.700 0.111 0.000 0.994 621 T CA -0.711 61.454 62.100 0.109 0.000 0.951 621 T CB 0.801 69.790 68.868 0.201 0.000 0.933 621 T HN 0.679 nan 8.240 nan 0.000 0.447 622 E N 1.553 121.819 120.200 0.111 0.000 2.413 622 E HA 0.405 4.637 4.350 -0.196 0.000 0.277 622 E C -0.225 176.447 176.600 0.120 0.000 0.958 622 E CA -0.757 55.683 56.400 0.065 0.000 0.779 622 E CB 1.714 31.264 29.700 -0.250 0.000 1.278 622 E HN 0.667 nan 8.360 nan 0.000 0.456 623 T N -2.052 112.598 114.554 0.159 0.000 2.847 623 T HA 0.213 4.446 4.350 -0.196 0.000 0.279 623 T C 0.620 175.410 174.700 0.149 0.000 0.984 623 T CA -0.541 61.649 62.100 0.150 0.000 0.988 623 T CB 0.590 69.555 68.868 0.161 0.000 1.040 623 T HN 0.452 nan 8.240 nan 0.000 0.528 624 D N -0.370 120.091 120.400 0.100 0.000 2.370 624 D HA 0.211 4.734 4.640 -0.196 0.000 0.230 624 D C 0.780 177.101 176.300 0.034 0.000 1.143 624 D CA -0.493 53.537 54.000 0.049 0.000 0.834 624 D CB -0.831 39.957 40.800 -0.020 0.000 0.944 624 D HN 0.788 nan 8.370 nan 0.000 0.504 625 A N 1.241 124.147 122.820 0.143 0.000 2.520 625 A HA 0.246 4.448 4.320 -0.196 0.000 0.235 625 A C 0.707 178.359 177.584 0.113 0.000 1.065 625 A CA -0.412 51.718 52.037 0.156 0.000 0.764 625 A CB 0.089 19.275 19.000 0.309 0.000 1.002 625 A HN 0.440 nan 8.150 nan 0.000 0.502 626 K N 1.579 122.001 120.400 0.036 0.000 2.319 626 K HA 0.435 4.638 4.320 -0.196 0.000 0.265 626 K C -0.425 176.124 176.600 -0.086 0.000 1.000 626 K CA -0.195 56.092 56.287 -0.001 0.000 0.943 626 K CB 0.577 33.065 32.500 -0.020 0.000 0.950 626 K HN 0.516 nan 8.250 nan 0.000 0.485 627 R N 0.745 121.084 120.500 -0.267 0.000 2.670 627 R HA 0.434 4.656 4.340 -0.196 0.000 0.289 627 R C -0.870 175.129 176.300 -0.501 0.000 0.965 627 R CA -0.961 54.630 56.100 -0.849 0.000 0.899 627 R CB 1.968 30.931 30.300 -2.229 0.000 1.173 627 R HN 0.884 nan 8.270 nan 0.000 0.456 628 A N 1.572 124.190 122.820 -0.337 0.000 2.328 628 A HA 0.225 4.428 4.320 -0.196 0.000 0.284 628 A C 0.361 178.084 177.584 0.232 0.000 1.160 628 A CA -0.413 51.616 52.037 -0.013 0.000 0.818 628 A CB 0.286 19.291 19.000 0.008 0.000 1.087 628 A HN 0.623 nan 8.150 nan 0.000 0.504 629 D N 1.569 122.142 120.400 0.289 0.000 2.221 629 D HA -0.148 4.375 4.640 -0.196 0.000 0.204 629 D C 2.121 178.609 176.300 0.314 0.000 0.982 629 D CA 2.045 56.209 54.000 0.272 0.000 0.857 629 D CB -0.121 40.758 40.800 0.131 0.000 0.934 629 D HN 0.658 nan 8.370 nan 0.000 0.475 630 S N -0.059 115.802 115.700 0.269 0.000 2.555 630 S HA -0.060 4.292 4.470 -0.196 0.000 0.230 630 S C 0.582 175.321 174.600 0.232 0.000 0.978 630 S CA -0.170 58.183 58.200 0.256 0.000 0.934 630 S CB -0.003 63.279 63.200 0.137 0.000 0.766 630 S HN -0.042 nan 8.310 nan 0.000 0.533 631 D N 2.871 123.441 120.400 0.284 0.000 2.378 631 D HA 0.355 4.877 4.640 -0.196 0.000 0.238 631 D C 0.695 177.174 176.300 0.298 0.000 1.180 631 D CA 0.766 54.918 54.000 0.253 0.000 0.895 631 D CB 0.959 41.893 40.800 0.223 0.000 1.192 631 D HN 0.524 nan 8.370 nan 0.000 0.438 632 T N -2.433 112.199 114.554 0.131 0.000 2.926 632 T HA 0.702 4.935 4.350 -0.196 0.000 0.289 632 T C 0.565 175.192 174.700 -0.122 0.000 1.054 632 T CA -1.042 61.017 62.100 -0.068 0.000 1.015 632 T CB 1.348 70.131 68.868 -0.141 0.000 1.167 632 T HN 0.251 nan 8.240 nan 0.000 0.526 633 G N 0.619 109.155 108.800 -0.440 0.000 2.636 633 G HA2 0.529 4.371 3.960 -0.196 0.000 0.246 633 G HA3 0.529 4.371 3.960 -0.196 0.000 0.246 633 G C -0.636 174.240 174.900 -0.040 0.000 1.216 633 G CA -0.525 44.386 45.100 -0.316 0.000 0.854 633 G HN 0.700 nan 8.290 nan 0.000 0.572 634 K N -0.901 119.530 120.400 0.052 0.000 2.480 634 K HA 0.490 4.692 4.320 -0.196 0.000 0.258 634 K C -0.100 176.637 176.600 0.229 0.000 0.990 634 K CA -0.730 55.647 56.287 0.149 0.000 0.857 634 K CB 1.857 34.503 32.500 0.244 0.000 1.384 634 K HN 0.520 nan 8.250 nan 0.000 0.446 635 V N -1.158 118.923 119.914 0.280 0.000 3.036 635 V HA 0.473 4.476 4.120 -0.196 0.000 0.308 635 V C 0.117 176.485 176.094 0.457 0.000 1.070 635 V CA -1.044 61.497 62.300 0.401 0.000 1.056 635 V CB 0.935 32.891 31.823 0.221 0.000 1.084 635 V HN 0.606 nan 8.190 nan 0.000 0.471 636 L N 3.756 125.152 121.223 0.289 0.000 2.350 636 L HA 0.507 4.730 4.340 -0.196 0.000 0.275 636 L C -1.584 175.305 176.870 0.031 0.000 1.099 636 L CA -1.317 53.515 54.840 -0.013 0.000 0.808 636 L CB 1.087 42.855 42.059 -0.484 0.000 1.149 636 L HN 0.507 nan 8.230 nan 0.000 0.442 637 P HA -0.108 nan 4.420 nan 0.000 0.216 637 P C -0.126 177.192 177.300 0.030 0.000 1.150 637 P CA 0.920 64.039 63.100 0.032 0.000 0.843 637 P CB 0.183 31.895 31.700 0.020 0.000 0.787 638 S N -1.599 114.115 115.700 0.024 0.000 2.578 638 S HA 0.554 4.907 4.470 -0.196 0.000 0.283 638 S C 1.011 175.642 174.600 0.051 0.000 1.195 638 S CA -0.280 57.954 58.200 0.056 0.000 1.050 638 S CB 0.869 64.132 63.200 0.106 0.000 1.012 638 S HN 0.034 nan 8.310 nan 0.000 0.511 639 A N 3.768 126.630 122.820 0.071 0.000 2.251 639 A HA 0.283 4.486 4.320 -0.196 0.000 0.209 639 A C 0.464 178.098 177.584 0.083 0.000 1.187 639 A CA -0.097 51.975 52.037 0.059 0.000 0.823 639 A CB -0.384 18.643 19.000 0.045 0.000 0.846 639 A HN 0.752 nan 8.150 nan 0.000 0.486 640 F N 1.583 121.500 119.950 -0.055 0.000 2.661 640 F HA 0.433 4.842 4.527 -0.195 0.000 0.356 640 F C -0.511 175.260 175.800 -0.049 0.000 1.244 640 F CA -0.454 57.486 58.000 -0.100 0.000 1.290 640 F CB 0.081 38.990 39.000 -0.152 0.000 1.677 640 F HN -0.097 nan 8.300 nan 0.000 0.649 641 V N 2.753 122.553 119.914 -0.190 0.000 2.655 641 V HA 0.875 4.878 4.120 -0.196 0.000 0.301 641 V C -0.044 175.991 176.094 -0.097 0.000 1.082 641 V CA -0.407 61.828 62.300 -0.108 0.000 0.899 641 V CB 1.202 33.023 31.823 -0.003 0.000 1.014 641 V HN 0.692 nan 8.190 nan 0.000 0.429 642 G N 2.551 111.303 108.800 -0.079 0.000 2.328 642 G HA2 0.552 4.394 3.960 -0.196 0.000 0.295 642 G HA3 0.552 4.394 3.960 -0.196 0.000 0.295 642 G C -1.232 173.673 174.900 0.009 0.000 1.413 642 G CA -0.400 44.725 45.100 0.042 0.000 0.817 642 G HN 0.505 nan 8.290 nan 0.000 0.546 643 T N 0.412 114.948 114.554 -0.029 0.000 2.812 643 T HA 0.622 4.854 4.350 -0.196 0.000 0.282 643 T C -0.305 174.269 174.700 -0.210 0.000 0.990 643 T CA -0.322 61.715 62.100 -0.106 0.000 0.960 643 T CB 1.575 70.371 68.868 -0.121 0.000 0.948 643 T HN 0.685 nan 8.240 nan 0.000 0.438 644 S N 2.788 118.419 115.700 -0.116 0.000 2.420 644 S HA 0.390 4.743 4.470 -0.196 0.000 0.313 644 S C -0.235 174.319 174.600 -0.077 0.000 1.079 644 S CA -0.786 57.343 58.200 -0.118 0.000 1.104 644 S CB 0.076 63.245 63.200 -0.051 0.000 0.969 644 S HN 0.625 nan 8.310 nan 0.000 0.471 645 K N 4.892 125.229 120.400 -0.105 0.000 2.211 645 K HA 0.314 4.517 4.320 -0.196 0.000 0.275 645 K C 0.588 177.173 176.600 -0.025 0.000 1.024 645 K CA -0.695 55.555 56.287 -0.062 0.000 0.887 645 K CB 1.002 33.445 32.500 -0.094 0.000 1.084 645 K HN 0.576 nan 8.250 nan 0.000 0.463 646 L N 3.707 124.936 121.223 0.011 0.000 2.130 646 L HA 0.117 4.339 4.340 -0.196 0.000 0.200 646 L C -0.141 176.738 176.870 0.014 0.000 1.075 646 L CA 1.790 56.645 54.840 0.026 0.000 0.768 646 L CB -0.044 42.051 42.059 0.059 0.000 0.933 646 L HN 0.988 nan 8.230 nan 0.000 0.451 647 D N -4.126 116.282 120.400 0.013 0.000 2.921 647 D HA 0.132 4.654 4.640 -0.196 0.000 0.329 647 D C -0.131 176.173 176.300 0.008 0.000 1.293 647 D CA -0.441 53.565 54.000 0.010 0.000 0.964 647 D CB -0.319 40.490 40.800 0.015 0.000 1.435 647 D HN -0.196 nan 8.370 nan 0.000 0.548 648 D N -1.092 119.316 120.400 0.012 0.000 2.363 648 D HA 0.233 4.756 4.640 -0.196 0.000 0.226 648 D C 0.756 177.051 176.300 -0.008 0.000 1.020 648 D CA 0.683 54.695 54.000 0.019 0.000 0.892 648 D CB 0.472 41.298 40.800 0.044 0.000 0.900 648 D HN 0.446 nan 8.370 nan 0.000 0.531 649 A N -0.217 122.595 122.820 -0.013 0.000 2.312 649 A HA 0.131 4.334 4.320 -0.196 0.000 0.215 649 A C 0.556 178.137 177.584 -0.004 0.000 1.256 649 A CA -0.152 51.867 52.037 -0.030 0.000 0.966 649 A CB 0.716 19.695 19.000 -0.034 0.000 1.053 649 A HN -0.033 nan 8.150 nan 0.000 0.510 650 N N -0.023 118.686 118.700 0.015 0.000 2.295 650 N HA 0.669 5.291 4.740 -0.196 0.000 0.293 650 N C -0.967 174.570 175.510 0.044 0.000 1.040 650 N CA 0.352 53.427 53.050 0.041 0.000 0.840 650 N CB 2.205 40.728 38.487 0.060 0.000 1.468 650 N HN 0.383 nan 8.380 nan 0.000 0.478 651 A N 0.852 123.704 122.820 0.053 0.000 2.601 651 A HA 0.760 4.963 4.320 -0.196 0.000 0.291 651 A C -1.200 176.404 177.584 0.033 0.000 1.075 651 A CA -0.536 51.522 52.037 0.034 0.000 0.671 651 A CB 1.496 20.497 19.000 0.002 0.000 1.277 651 A HN 0.380 nan 8.150 nan 0.000 0.417 652 T N 0.424 114.977 114.554 -0.002 0.000 2.893 652 T HA 0.814 5.047 4.350 -0.196 0.000 0.293 652 T C -0.338 174.309 174.700 -0.088 0.000 1.027 652 T CA 0.236 62.281 62.100 -0.093 0.000 0.988 652 T CB 1.728 70.569 68.868 -0.045 0.000 1.043 652 T HN 1.873 nan 8.240 nan 0.000 0.461 653 A N 1.537 124.299 122.820 -0.096 0.000 2.498 653 A HA 0.938 5.141 4.320 -0.196 0.000 0.298 653 A C -0.438 177.229 177.584 0.139 0.000 1.075 653 A CA -0.772 51.292 52.037 0.046 0.000 0.714 653 A CB 2.259 21.326 19.000 0.112 0.000 1.299 653 A HN 0.736 nan 8.150 nan 0.000 0.407 654 T N 0.597 115.228 114.554 0.130 0.000 2.864 654 T HA 0.711 4.944 4.350 -0.196 0.000 0.299 654 T C -1.375 173.478 174.700 0.255 0.000 1.166 654 T CA -0.400 61.805 62.100 0.175 0.000 1.007 654 T CB 1.187 70.034 68.868 -0.036 0.000 1.219 654 T HN 0.932 nan 8.240 nan 0.000 0.506 655 M N 3.407 123.231 119.600 0.373 0.000 2.206 655 M HA 0.359 4.722 4.480 -0.196 0.000 0.272 655 M C -1.753 174.808 176.300 0.434 0.000 1.012 655 M CA -0.621 54.901 55.300 0.371 0.000 0.986 655 M CB 1.643 34.556 32.600 0.522 0.000 1.740 655 M HN 0.584 nan 8.290 nan 0.000 0.472 656 D N 4.691 125.343 120.400 0.420 0.000 2.508 656 D HA 0.146 4.668 4.640 -0.196 0.000 0.224 656 D C -1.318 175.212 176.300 0.384 0.000 1.171 656 D CA 0.133 54.433 54.000 0.499 0.000 1.006 656 D CB -0.109 40.997 40.800 0.511 0.000 1.073 656 D HN 0.396 nan 8.370 nan 0.000 0.513 657 F N 2.580 122.689 119.950 0.266 0.000 2.427 657 F HA 0.415 4.825 4.527 -0.196 0.000 0.352 657 F C -0.189 175.718 175.800 0.177 0.000 1.100 657 F CA -0.203 57.922 58.000 0.207 0.000 1.191 657 F CB 1.053 40.206 39.000 0.255 0.000 1.128 657 F HN 0.011 nan 8.300 nan 0.000 0.533 658 T N 6.400 120.525 114.554 -0.715 0.000 2.893 658 T HA 0.273 4.506 4.350 -0.196 0.000 0.293 658 T C -0.426 173.666 174.700 -1.013 0.000 1.027 658 T CA -0.965 60.733 62.100 -0.669 0.000 0.988 658 T CB 1.234 69.957 68.868 -0.241 0.000 1.043 658 T HN 0.702 nan 8.240 nan 0.000 0.461 659 N N 1.698 120.006 118.700 -0.653 0.000 2.364 659 N HA 0.101 4.724 4.740 -0.196 0.000 0.264 659 N C 1.571 177.105 175.510 0.040 0.000 1.263 659 N CA -0.981 51.970 53.050 -0.165 0.000 0.959 659 N CB 0.396 38.989 38.487 0.177 0.000 1.204 659 N HN 0.871 nan 8.380 nan 0.000 0.550 660 W N 0.138 121.549 121.300 0.184 0.000 2.425 660 W HA -0.069 4.474 4.660 -0.195 0.000 0.277 660 W C 0.076 176.666 176.519 0.119 0.000 1.231 660 W CA 1.097 58.561 57.345 0.198 0.000 1.248 660 W CB -1.177 28.429 29.460 0.244 0.000 1.117 660 W HN 0.610 nan 8.180 nan 0.000 0.568 661 N N 0.546 118.688 118.700 -0.929 0.000 2.235 661 N HA 0.022 4.645 4.740 -0.196 0.000 0.231 661 N C 0.028 175.271 175.510 -0.444 0.000 1.177 661 N CA 0.018 52.532 53.050 -0.892 0.000 0.874 661 N CB -0.585 36.955 38.487 -1.578 0.000 1.097 661 N HN 0.021 nan 8.380 nan 0.000 0.518 662 Q N -0.547 119.080 119.800 -0.288 0.000 2.451 662 Q HA -0.164 4.059 4.340 -0.196 0.000 0.305 662 Q C 0.247 176.149 176.000 -0.164 0.000 1.345 662 Q CA 1.448 57.145 55.803 -0.177 0.000 0.854 662 Q CB -2.679 25.987 28.738 -0.120 0.000 1.162 662 Q HN 0.729 nan 8.270 nan 0.000 0.440 663 T N -3.864 110.584 114.554 -0.177 0.000 3.010 663 T HA 0.470 4.702 4.350 -0.196 0.000 0.257 663 T C 0.338 175.009 174.700 -0.047 0.000 1.020 663 T CA 0.112 62.147 62.100 -0.108 0.000 0.938 663 T CB 0.567 69.367 68.868 -0.113 0.000 1.049 663 T HN 0.317 nan 8.240 nan 0.000 0.522 664 L N 2.099 123.299 121.223 -0.039 0.000 2.455 664 L HA 0.731 4.954 4.340 -0.196 0.000 0.264 664 L C -1.062 175.812 176.870 0.008 0.000 0.968 664 L CA -0.410 54.449 54.840 0.032 0.000 0.827 664 L CB 2.349 44.487 42.059 0.131 0.000 1.317 664 L HN 0.321 nan 8.230 nan 0.000 0.407 665 T N 1.438 116.019 114.554 0.045 0.000 2.916 665 T HA 0.972 5.204 4.350 -0.196 0.000 0.292 665 T C -0.695 174.096 174.700 0.153 0.000 1.055 665 T CA -0.348 61.792 62.100 0.066 0.000 1.009 665 T CB 2.049 70.916 68.868 -0.001 0.000 1.118 665 T HN 1.040 nan 8.240 nan 0.000 0.497 666 A N 1.278 124.250 122.820 0.253 0.000 2.577 666 A HA 0.584 4.787 4.320 -0.196 0.000 0.297 666 A C -1.439 176.304 177.584 0.264 0.000 1.060 666 A CA -0.903 51.239 52.037 0.175 0.000 0.697 666 A CB 0.868 20.019 19.000 0.251 0.000 1.281 666 A HN 0.920 nan 8.150 nan 0.000 0.402 667 H N 1.991 121.044 119.070 -0.029 0.000 2.911 667 H HA 0.332 4.770 4.556 -0.196 0.000 0.273 667 H C -0.298 175.000 175.328 -0.050 0.000 1.157 667 H CA 0.280 56.293 56.048 -0.058 0.000 1.402 667 H CB 0.355 29.879 29.762 -0.396 0.000 1.463 667 H HN 0.463 nan 8.280 nan 0.000 0.475 668 K N 2.175 122.653 120.400 0.130 0.000 2.185 668 K HA 0.553 4.756 4.320 -0.196 0.000 0.269 668 K C -0.280 176.032 176.600 -0.480 0.000 0.987 668 K CA -0.519 55.650 56.287 -0.197 0.000 0.865 668 K CB 1.606 34.036 32.500 -0.117 0.000 1.090 668 K HN 0.373 nan 8.250 nan 0.000 0.450 669 S N 1.539 116.817 115.700 -0.703 0.000 2.569 669 S HA 0.541 4.893 4.470 -0.196 0.000 0.280 669 S C -1.431 172.695 174.600 -0.790 0.000 1.111 669 S CA -0.952 56.921 58.200 -0.545 0.000 0.887 669 S CB 1.282 64.416 63.200 -0.109 0.000 1.095 669 S HN 0.453 nan 8.310 nan 0.000 0.476 670 W N 1.505 122.585 121.300 -0.368 0.000 2.883 670 W HA 0.495 5.038 4.660 -0.195 0.000 0.335 670 W C -1.989 174.156 176.519 -0.622 0.000 1.083 670 W CA -0.729 56.398 57.345 -0.363 0.000 1.233 670 W CB 1.358 30.649 29.460 -0.280 0.000 1.412 670 W HN 0.524 nan 8.180 nan 0.000 0.490 671 F N 2.547 122.534 119.950 0.061 0.000 2.434 671 F HA 0.392 4.802 4.527 -0.195 0.000 0.367 671 F C 0.257 176.061 175.800 0.006 0.000 1.093 671 F CA -0.753 57.283 58.000 0.061 0.000 1.085 671 F CB 0.901 39.940 39.000 0.064 0.000 1.322 671 F HN -0.061 nan 8.300 nan 0.000 0.452 672 M N 4.868 124.518 119.600 0.084 0.000 2.108 672 M HA 0.321 4.683 4.480 -0.196 0.000 0.347 672 M C -0.401 175.935 176.300 0.060 0.000 1.326 672 M CA 0.224 55.529 55.300 0.009 0.000 1.126 672 M CB 0.536 33.131 32.600 -0.009 0.000 1.606 672 M HN 0.501 nan 8.290 nan 0.000 0.462 673 L N 4.377 125.634 121.223 0.057 0.000 2.732 673 L HA 0.286 4.509 4.340 -0.196 0.000 0.246 673 L C 0.846 177.741 176.870 0.040 0.000 1.407 673 L CA -0.137 54.738 54.840 0.058 0.000 0.861 673 L CB 0.017 42.116 42.059 0.067 0.000 1.161 673 L HN 0.871 nan 8.230 nan 0.000 0.510 674 K N 1.253 121.672 120.400 0.031 0.000 10.062 674 K HA -0.294 3.909 4.320 -0.196 0.000 0.515 674 K C 0.512 177.161 176.600 0.080 0.000 0.373 674 K CA 2.484 58.780 56.287 0.015 0.000 1.953 674 K CB -0.805 31.694 32.500 -0.003 0.000 0.729 674 K HN 0.687 nan 8.250 nan 0.000 1.124 675 D N 0.945 121.427 120.400 0.138 0.000 2.535 675 D HA 0.196 4.719 4.640 -0.196 0.000 0.229 675 D C -0.216 176.198 176.300 0.190 0.000 1.238 675 D CA 0.032 54.198 54.000 0.276 0.000 0.824 675 D CB 0.290 41.184 40.800 0.157 0.000 1.045 675 D HN 0.561 nan 8.370 nan 0.000 0.500 676 K N -0.716 119.760 120.400 0.126 0.000 2.642 676 K HA 0.548 4.750 4.320 -0.196 0.000 0.290 676 K C -1.904 174.689 176.600 -0.011 0.000 1.006 676 K CA -0.921 55.370 56.287 0.006 0.000 0.869 676 K CB 0.795 33.314 32.500 0.033 0.000 1.499 676 K HN -0.109 nan 8.250 nan 0.000 0.403 677 I N 1.138 121.682 120.570 -0.043 0.000 2.512 677 I HA 0.413 4.466 4.170 -0.196 0.000 0.287 677 I C -0.626 175.558 176.117 0.112 0.000 1.069 677 I CA -0.462 60.778 61.300 -0.100 0.000 1.056 677 I CB 1.992 39.672 38.000 -0.533 0.000 1.229 677 I HN 0.842 nan 8.210 nan 0.000 0.429 678 A N 5.834 128.767 122.820 0.189 0.000 2.331 678 A HA 0.787 4.990 4.320 -0.196 0.000 0.283 678 A C -1.059 176.654 177.584 0.215 0.000 1.142 678 A CA -0.077 52.151 52.037 0.319 0.000 0.812 678 A CB 0.095 19.300 19.000 0.342 0.000 1.074 678 A HN 0.465 nan 8.150 nan 0.000 0.497 679 F N 2.122 122.027 119.950 -0.075 0.000 2.375 679 F HA 0.499 4.908 4.527 -0.196 0.000 0.361 679 F C -0.095 175.650 175.800 -0.092 0.000 1.117 679 F CA -0.328 57.540 58.000 -0.220 0.000 1.037 679 F CB 1.439 40.050 39.000 -0.649 0.000 1.192 679 F HN 0.319 nan 8.300 nan 0.000 0.452 680 L N 2.976 124.248 121.223 0.082 0.000 2.346 680 L HA 0.873 5.095 4.340 -0.196 0.000 0.276 680 L C 0.158 176.715 176.870 -0.522 0.000 1.006 680 L CA -0.857 53.917 54.840 -0.111 0.000 0.817 680 L CB 2.154 44.208 42.059 -0.008 0.000 1.272 680 L HN 0.717 nan 8.230 nan 0.000 0.421 681 G N 0.799 108.892 108.800 -1.178 0.000 2.617 681 G HA2 0.663 4.505 3.960 -0.196 0.000 0.306 681 G HA3 0.663 4.505 3.960 -0.196 0.000 0.306 681 G C -0.975 173.568 174.900 -0.596 0.000 1.360 681 G CA -0.282 44.139 45.100 -1.131 0.000 0.983 681 G HN 0.611 nan 8.290 nan 0.000 0.496 682 S N 0.620 116.125 115.700 -0.326 0.000 2.651 682 S HA 0.581 4.934 4.470 -0.196 0.000 0.279 682 S C 0.292 174.722 174.600 -0.283 0.000 1.148 682 S CA -0.392 57.661 58.200 -0.245 0.000 0.837 682 S CB 1.641 64.740 63.200 -0.168 0.000 1.138 682 S HN 1.193 nan 8.310 nan 0.000 0.478 683 N N -0.207 118.326 118.700 -0.279 0.000 2.735 683 N HA -0.145 4.478 4.740 -0.196 0.000 0.248 683 N C -1.029 174.333 175.510 -0.246 0.000 1.083 683 N CA 0.381 53.230 53.050 -0.335 0.000 0.703 683 N CB -1.067 37.010 38.487 -0.683 0.000 1.005 683 N HN 0.711 nan 8.380 nan 0.000 0.550 684 I N 1.882 122.344 120.570 -0.180 0.000 2.379 684 I HA 0.064 4.117 4.170 -0.196 0.000 0.290 684 I C 0.459 176.535 176.117 -0.069 0.000 1.063 684 I CA 0.397 61.622 61.300 -0.124 0.000 1.351 684 I CB 0.947 38.811 38.000 -0.228 0.000 1.410 684 I HN 0.132 nan 8.210 nan 0.000 0.505 685 Q N 5.240 125.021 119.800 -0.032 0.000 2.423 685 Q HA 0.505 4.728 4.340 -0.196 0.000 0.278 685 Q C -0.951 175.058 176.000 0.014 0.000 1.097 685 Q CA -1.072 54.721 55.803 -0.016 0.000 0.809 685 Q CB 2.812 31.526 28.738 -0.040 0.000 1.391 685 Q HN 0.475 nan 8.270 nan 0.000 0.428 686 N N -0.048 118.662 118.700 0.017 0.000 2.519 686 N HA 0.177 4.800 4.740 -0.196 0.000 0.291 686 N C -0.697 174.817 175.510 0.008 0.000 1.107 686 N CA -0.290 52.776 53.050 0.026 0.000 0.904 686 N CB 1.711 40.230 38.487 0.054 0.000 1.500 686 N HN 0.650 nan 8.380 nan 0.000 0.510 687 T N -0.900 113.651 114.554 -0.006 0.000 3.069 687 T HA 0.198 4.431 4.350 -0.196 0.000 0.252 687 T C 0.783 175.475 174.700 -0.014 0.000 1.053 687 T CA 0.009 62.100 62.100 -0.014 0.000 0.964 687 T CB -0.317 68.535 68.868 -0.027 0.000 1.005 687 T HN 0.416 nan 8.240 nan 0.000 0.532 688 S N 1.373 117.069 115.700 -0.007 0.000 2.707 688 S HA 0.410 4.763 4.470 -0.196 0.000 0.276 688 S C 1.074 175.679 174.600 0.009 0.000 1.179 688 S CA -0.028 58.171 58.200 -0.003 0.000 0.992 688 S CB 1.154 64.356 63.200 0.002 0.000 1.030 688 S HN 0.358 nan 8.310 nan 0.000 0.554 689 T N -1.871 112.690 114.554 0.012 0.000 3.163 689 T HA 0.241 4.473 4.350 -0.196 0.000 0.252 689 T C -0.215 174.498 174.700 0.020 0.000 1.056 689 T CA -0.467 61.642 62.100 0.014 0.000 0.947 689 T CB -0.617 68.256 68.868 0.009 0.000 1.016 689 T HN 0.554 nan 8.240 nan 0.000 0.554 690 D N 3.238 123.657 120.400 0.032 0.000 2.329 690 D HA 0.248 4.771 4.640 -0.196 0.000 0.246 690 D C 0.476 176.801 176.300 0.042 0.000 1.111 690 D CA -0.000 54.024 54.000 0.041 0.000 0.941 690 D CB 1.502 42.343 40.800 0.069 0.000 1.169 690 D HN 0.407 nan 8.370 nan 0.000 0.441 691 T N -1.997 112.577 114.554 0.034 0.000 2.897 691 T HA 0.565 4.798 4.350 -0.196 0.000 0.294 691 T C -0.076 174.659 174.700 0.058 0.000 1.004 691 T CA -0.943 61.178 62.100 0.035 0.000 1.106 691 T CB 1.374 70.248 68.868 0.011 0.000 0.949 691 T HN 0.378 nan 8.240 nan 0.000 0.520 692 A N 1.887 124.755 122.820 0.080 0.000 2.312 692 A HA 0.920 5.122 4.320 -0.196 0.000 0.328 692 A C 0.060 177.701 177.584 0.094 0.000 1.158 692 A CA -0.619 51.496 52.037 0.131 0.000 0.821 692 A CB 0.753 19.870 19.000 0.194 0.000 1.170 692 A HN 1.694 nan 8.150 nan 0.000 0.490 693 A N 0.832 123.713 122.820 0.102 0.000 2.612 693 A HA 0.749 4.951 4.320 -0.196 0.000 0.293 693 A C -0.471 177.153 177.584 0.065 0.000 1.075 693 A CA -0.428 51.569 52.037 -0.066 0.000 0.680 693 A CB 0.942 19.884 19.000 -0.096 0.000 1.279 693 A HN 0.836 nan 8.150 nan 0.000 0.411 694 T N 1.890 116.438 114.554 -0.009 0.000 2.794 694 T HA 0.522 4.755 4.350 -0.196 0.000 0.280 694 T C -0.086 174.588 174.700 -0.042 0.000 0.987 694 T CA 0.054 62.197 62.100 0.072 0.000 0.993 694 T CB 0.976 69.921 68.868 0.128 0.000 0.939 694 T HN 0.584 nan 8.240 nan 0.000 0.449 695 T N 4.538 119.086 114.554 -0.011 0.000 2.727 695 T HA 0.235 4.468 4.350 -0.196 0.000 0.295 695 T C 1.675 176.357 174.700 -0.029 0.000 0.915 695 T CA -0.269 61.814 62.100 -0.028 0.000 1.066 695 T CB 0.052 68.925 68.868 0.007 0.000 0.891 695 T HN 0.452 nan 8.240 nan 0.000 0.516 696 I N 1.523 122.003 120.570 -0.149 0.000 2.286 696 I HA 0.021 4.074 4.170 -0.196 0.000 0.245 696 I C 1.048 177.117 176.117 -0.079 0.000 1.104 696 I CA 1.101 62.236 61.300 -0.275 0.000 1.397 696 I CB 0.264 37.903 38.000 -0.602 0.000 1.072 696 I HN 0.516 nan 8.210 nan 0.000 0.417 697 D N -0.863 119.484 120.400 -0.088 0.000 2.623 697 D HA 0.234 4.757 4.640 -0.196 0.000 0.241 697 D C -1.413 174.883 176.300 -0.007 0.000 1.241 697 D CA -0.414 53.612 54.000 0.043 0.000 0.788 697 D CB 1.802 42.648 40.800 0.077 0.000 1.413 697 D HN -0.090 nan 8.370 nan 0.000 0.429 698 Q N 2.367 122.187 119.800 0.033 0.000 2.589 698 Q HA 0.366 4.589 4.340 -0.196 0.000 0.245 698 Q C -1.440 174.704 176.000 0.240 0.000 0.931 698 Q CA -0.669 55.181 55.803 0.079 0.000 0.730 698 Q CB 1.202 29.925 28.738 -0.025 0.000 1.315 698 Q HN 0.197 nan 8.270 nan 0.000 0.469 699 R N 2.325 122.976 120.500 0.252 0.000 2.338 699 R HA 0.320 4.542 4.340 -0.196 0.000 0.317 699 R C -1.078 175.334 176.300 0.187 0.000 0.968 699 R CA -0.395 55.870 56.100 0.277 0.000 0.849 699 R CB 1.108 31.473 30.300 0.108 0.000 1.128 699 R HN 0.327 nan 8.270 nan 0.000 0.448 700 K N 4.873 125.312 120.400 0.066 0.000 2.339 700 K HA 0.218 4.421 4.320 -0.196 0.000 0.286 700 K C -0.656 175.773 176.600 -0.286 0.000 1.050 700 K CA -0.243 55.635 56.287 -0.682 0.000 0.956 700 K CB 0.462 32.372 32.500 -0.983 0.000 0.990 700 K HN 0.518 nan 8.250 nan 0.000 0.475 701 L N 3.226 124.259 121.223 -0.317 0.000 2.375 701 L HA 0.355 4.578 4.340 -0.196 0.000 0.268 701 L C 0.004 176.766 176.870 -0.180 0.000 1.058 701 L CA -0.771 53.980 54.840 -0.148 0.000 0.803 701 L CB 1.349 43.356 42.059 -0.087 0.000 1.212 701 L HN 0.632 nan 8.230 nan 0.000 0.451 702 E N -0.217 119.888 120.200 -0.159 0.000 2.133 702 E HA 0.144 4.377 4.350 -0.196 0.000 0.274 702 E C 0.329 176.858 176.600 -0.118 0.000 0.930 702 E CA -0.274 56.044 56.400 -0.136 0.000 0.770 702 E CB 1.688 31.307 29.700 -0.136 0.000 1.104 702 E HN 0.677 nan 8.360 nan 0.000 0.403 703 S N 1.457 117.105 115.700 -0.087 0.000 2.423 703 S HA -0.205 4.148 4.470 -0.196 0.000 0.231 703 S C 1.933 176.495 174.600 -0.062 0.000 1.014 703 S CA 1.264 59.424 58.200 -0.067 0.000 0.965 703 S CB -0.210 62.962 63.200 -0.047 0.000 0.785 703 S HN 0.498 nan 8.310 nan 0.000 0.495 704 S N 1.343 117.006 115.700 -0.061 0.000 2.428 704 S HA 0.078 4.431 4.470 -0.196 0.000 0.230 704 S C 0.864 175.422 174.600 -0.071 0.000 1.014 704 S CA 0.438 58.607 58.200 -0.051 0.000 0.957 704 S CB -0.485 62.694 63.200 -0.035 0.000 0.784 704 S HN 0.457 nan 8.310 nan 0.000 0.499 705 N N 2.782 121.415 118.700 -0.112 0.000 2.841 705 N HA 0.416 5.039 4.740 -0.196 0.000 0.257 705 N C -3.084 172.279 175.510 -0.245 0.000 1.396 705 N CA -1.773 51.180 53.050 -0.161 0.000 0.823 705 N CB 1.218 39.596 38.487 -0.182 0.000 1.162 705 N HN 0.260 nan 8.380 nan 0.000 0.503 706 P HA 0.107 nan 4.420 nan 0.000 0.272 706 P C -0.700 176.489 177.300 -0.185 0.000 1.223 706 P CA 0.072 63.079 63.100 -0.154 0.000 0.784 706 P CB 0.727 32.388 31.700 -0.065 0.000 0.923 707 Y N 0.543 120.813 120.300 -0.050 0.000 2.310 707 Y HA 0.311 4.743 4.550 -0.196 0.000 0.326 707 Y C 1.296 177.164 175.900 -0.053 0.000 1.151 707 Y CA -0.170 57.897 58.100 -0.055 0.000 1.195 707 Y CB 1.143 39.556 38.460 -0.078 0.000 1.210 707 Y HN 0.268 nan 8.280 nan 0.000 0.483 708 K N 2.690 123.183 120.400 0.156 0.000 2.234 708 K HA 0.577 4.780 4.320 -0.196 0.000 0.277 708 K C -1.536 175.041 176.600 -0.037 0.000 1.038 708 K CA -0.448 55.844 56.287 0.009 0.000 0.888 708 K CB 0.623 33.131 32.500 0.012 0.000 1.091 708 K HN 0.491 nan 8.250 nan 0.000 0.467 709 V N 5.524 125.336 119.914 -0.170 0.000 2.427 709 V HA 0.324 4.327 4.120 -0.196 0.000 0.286 709 V C -0.978 174.961 176.094 -0.258 0.000 1.034 709 V CA -0.660 61.559 62.300 -0.134 0.000 0.893 709 V CB 0.566 32.314 31.823 -0.125 0.000 0.982 709 V HN 0.621 nan 8.190 nan 0.000 0.452 710 Y N 2.671 122.987 120.300 0.025 0.000 2.409 710 Y HA 0.701 5.134 4.550 -0.196 0.000 0.343 710 Y C -0.103 175.804 175.900 0.012 0.000 0.973 710 Y CA -1.066 57.065 58.100 0.052 0.000 1.064 710 Y CB 2.110 40.651 38.460 0.134 0.000 1.207 710 Y HN 0.334 nan 8.280 nan 0.000 0.452 711 V N 3.268 123.253 119.914 0.118 0.000 2.444 711 V HA 0.277 4.280 4.120 -0.196 0.000 0.294 711 V C -0.449 175.723 176.094 0.131 0.000 1.022 711 V CA -1.327 60.997 62.300 0.040 0.000 0.850 711 V CB 1.350 33.057 31.823 -0.193 0.000 0.992 711 V HN 0.929 nan 8.190 nan 0.000 0.426 712 N N 3.260 122.059 118.700 0.165 0.000 2.721 712 N HA -0.213 4.410 4.740 -0.196 0.000 0.249 712 N C 0.467 176.068 175.510 0.151 0.000 1.072 712 N CA 1.407 54.551 53.050 0.156 0.000 0.710 712 N CB -1.071 37.488 38.487 0.120 0.000 0.993 712 N HN 1.075 nan 8.380 nan 0.000 0.547 713 D N -1.987 118.529 120.400 0.192 0.000 3.041 713 D HA -0.196 4.327 4.640 -0.196 0.000 0.220 713 D C -0.867 175.586 176.300 0.254 0.000 1.157 713 D CA 1.481 55.576 54.000 0.159 0.000 0.876 713 D CB -0.629 40.199 40.800 0.047 0.000 1.107 713 D HN 0.653 nan 8.370 nan 0.000 0.422 714 K N 0.685 121.252 120.400 0.278 0.000 2.345 714 K HA 0.343 4.546 4.320 -0.196 0.000 0.255 714 K C -0.085 176.616 176.600 0.168 0.000 0.934 714 K CA -0.822 55.604 56.287 0.231 0.000 0.801 714 K CB 1.894 34.475 32.500 0.136 0.000 1.137 714 K HN 0.115 nan 8.250 nan 0.000 0.424 715 E N 1.664 121.889 120.200 0.042 0.000 2.452 715 E HA 0.111 4.344 4.350 -0.196 0.000 0.261 715 E C -1.050 175.493 176.600 -0.096 0.000 0.987 715 E CA -0.100 56.161 56.400 -0.232 0.000 0.926 715 E CB 0.674 30.217 29.700 -0.261 0.000 0.934 715 E HN 0.627 nan 8.360 nan 0.000 0.452 716 A N 3.122 125.864 122.820 -0.130 0.000 2.386 716 A HA 0.462 4.665 4.320 -0.196 0.000 0.311 716 A C -0.936 176.625 177.584 -0.038 0.000 1.068 716 A CA -0.729 51.289 52.037 -0.032 0.000 0.743 716 A CB 1.820 20.782 19.000 -0.064 0.000 1.258 716 A HN 0.499 nan 8.150 nan 0.000 0.429 717 S N 2.258 117.969 115.700 0.019 0.000 2.420 717 S HA 0.492 4.845 4.470 -0.196 0.000 0.313 717 S C -0.189 174.435 174.600 0.039 0.000 1.079 717 S CA -0.416 57.789 58.200 0.009 0.000 1.104 717 S CB 0.170 63.374 63.200 0.007 0.000 0.969 717 S HN 0.543 nan 8.310 nan 0.000 0.471 718 L N 3.477 124.713 121.223 0.023 0.000 2.375 718 L HA 0.540 4.762 4.340 -0.196 0.000 0.271 718 L C 0.900 177.783 176.870 0.023 0.000 1.107 718 L CA -0.422 54.440 54.840 0.037 0.000 0.806 718 L CB 0.986 43.055 42.059 0.016 0.000 1.146 718 L HN 0.640 nan 8.230 nan 0.000 0.447 719 T N -3.182 111.387 114.554 0.025 0.000 2.888 719 T HA 0.250 4.483 4.350 -0.196 0.000 0.288 719 T C 0.632 175.337 174.700 0.009 0.000 1.063 719 T CA -0.828 61.279 62.100 0.011 0.000 1.010 719 T CB 2.041 70.912 68.868 0.004 0.000 1.214 719 T HN 0.521 nan 8.240 nan 0.000 0.533 720 E N -0.041 120.161 120.200 0.003 0.000 2.077 720 E HA -0.123 4.109 4.350 -0.196 0.000 0.193 720 E C 0.827 177.423 176.600 -0.006 0.000 0.989 720 E CA 0.920 57.320 56.400 0.001 0.000 0.800 720 E CB 0.089 29.788 29.700 -0.002 0.000 0.746 720 E HN 0.636 nan 8.360 nan 0.000 0.452 721 Q N 1.459 121.253 119.800 -0.009 0.000 2.313 721 Q HA -0.015 4.207 4.340 -0.196 0.000 0.266 721 Q C -0.608 175.383 176.000 -0.015 0.000 0.989 721 Q CA 0.025 55.818 55.803 -0.017 0.000 0.890 721 Q CB 0.780 29.505 28.738 -0.022 0.000 1.200 721 Q HN -0.057 nan 8.270 nan 0.000 0.396 722 E N 3.082 123.269 120.200 -0.022 0.000 2.465 722 E HA -0.029 4.203 4.350 -0.196 0.000 0.260 722 E C -1.061 175.516 176.600 -0.038 0.000 0.980 722 E CA 0.429 56.817 56.400 -0.021 0.000 0.927 722 E CB 0.533 30.213 29.700 -0.032 0.000 0.934 722 E HN 0.377 nan 8.360 nan 0.000 0.459 723 K N 3.640 124.025 120.400 -0.025 0.000 2.221 723 K HA 0.276 4.479 4.320 -0.196 0.000 0.258 723 K C -1.226 175.252 176.600 -0.204 0.000 0.944 723 K CA -0.959 55.249 56.287 -0.131 0.000 0.823 723 K CB 1.336 33.752 32.500 -0.140 0.000 1.113 723 K HN 0.483 nan 8.250 nan 0.000 0.431 724 D N 1.539 121.751 120.400 -0.313 0.000 2.210 724 D HA 0.172 4.695 4.640 -0.196 0.000 0.249 724 D C -0.806 175.174 176.300 -0.533 0.000 1.062 724 D CA 0.093 53.931 54.000 -0.271 0.000 0.891 724 D CB 0.740 41.436 40.800 -0.173 0.000 1.186 724 D HN 0.355 nan 8.370 nan 0.000 0.432 725 Y N 1.475 121.720 120.300 -0.092 0.000 2.681 725 Y HA 0.240 4.672 4.550 -0.196 0.000 0.347 725 Y C -2.062 173.770 175.900 -0.113 0.000 1.029 725 Y CA -1.978 56.067 58.100 -0.092 0.000 1.279 725 Y CB 1.531 39.932 38.460 -0.099 0.000 1.096 725 Y HN 0.107 nan 8.280 nan 0.000 0.580 726 P HA 0.056 nan 4.420 nan 0.000 0.274 726 P C -0.181 177.108 177.300 -0.018 0.000 1.231 726 P CA 0.098 63.176 63.100 -0.036 0.000 0.790 726 P CB 0.973 32.648 31.700 -0.043 0.000 0.951 727 E N -1.768 118.409 120.200 -0.038 0.000 2.340 727 E HA -0.126 4.107 4.350 -0.196 0.000 0.240 727 E C -0.634 175.954 176.600 -0.021 0.000 1.154 727 E CA 0.875 57.263 56.400 -0.021 0.000 0.717 727 E CB -2.797 26.905 29.700 0.004 0.000 1.250 727 E HN 0.448 nan 8.360 nan 0.000 0.386 728 T N 0.758 115.254 114.554 -0.097 0.000 2.749 728 T HA 0.245 4.477 4.350 -0.196 0.000 0.295 728 T C 1.322 175.980 174.700 -0.070 0.000 0.936 728 T CA -0.121 61.912 62.100 -0.113 0.000 1.060 728 T CB 1.541 70.235 68.868 -0.288 0.000 0.904 728 T HN 0.166 nan 8.240 nan 0.000 0.500 729 Q N 2.576 122.443 119.800 0.111 0.000 2.339 729 Q HA 0.154 4.376 4.340 -0.196 0.000 0.205 729 Q C 0.511 176.791 176.000 0.467 0.000 0.925 729 Q CA 0.246 56.197 55.803 0.247 0.000 0.898 729 Q CB 0.533 29.409 28.738 0.231 0.000 1.013 729 Q HN 0.764 nan 8.270 nan 0.000 0.504 730 S N -2.069 113.897 115.700 0.444 0.000 2.547 730 S HA 0.697 5.050 4.470 -0.196 0.000 0.270 730 S C -1.297 173.567 174.600 0.439 0.000 1.150 730 S CA -0.949 57.586 58.200 0.559 0.000 0.850 730 S CB 1.689 65.223 63.200 0.555 0.000 1.118 730 S HN -0.092 nan 8.310 nan 0.000 0.461 731 V N 2.414 122.606 119.914 0.464 0.000 2.709 731 V HA 0.751 4.753 4.120 -0.196 0.000 0.308 731 V C -1.486 174.763 176.094 0.258 0.000 1.062 731 V CA -0.570 61.905 62.300 0.291 0.000 0.901 731 V CB 1.645 33.568 31.823 0.167 0.000 1.003 731 V HN 0.913 nan 8.190 nan 0.000 0.425 732 F N 5.206 125.149 119.950 -0.011 0.000 2.539 732 F HA 0.689 5.098 4.527 -0.195 0.000 0.318 732 F C -0.893 174.865 175.800 -0.070 0.000 1.135 732 F CA -0.780 57.080 58.000 -0.234 0.000 0.915 732 F CB 1.594 40.390 39.000 -0.340 0.000 1.176 732 F HN 0.301 nan 8.300 nan 0.000 0.440 733 L N 5.662 126.365 121.223 -0.866 0.000 2.276 733 L HA 0.450 4.673 4.340 -0.196 0.000 0.286 733 L C -0.460 175.962 176.870 -0.746 0.000 1.024 733 L CA -0.488 53.908 54.840 -0.740 0.000 0.826 733 L CB 1.431 42.848 42.059 -1.071 0.000 1.211 733 L HN 0.608 nan 8.230 nan 0.000 0.422 734 E N 2.819 122.953 120.200 -0.110 0.000 2.113 734 E HA 0.349 4.582 4.350 -0.196 0.000 0.273 734 E C -0.979 175.791 176.600 0.284 0.000 0.924 734 E CA -0.229 56.250 56.400 0.131 0.000 0.764 734 E CB 1.809 31.803 29.700 0.489 0.000 1.104 734 E HN 0.526 nan 8.360 nan 0.000 0.406 735 S N 2.056 117.873 115.700 0.195 0.000 2.722 735 S HA 0.180 4.533 4.470 -0.196 0.000 0.292 735 S C 1.175 175.801 174.600 0.044 0.000 1.135 735 S CA 0.003 58.221 58.200 0.030 0.000 1.003 735 S CB 1.357 64.519 63.200 -0.063 0.000 1.067 735 S HN 0.630 nan 8.310 nan 0.000 0.546 736 S N 1.044 116.742 115.700 -0.003 0.000 2.447 736 S HA -0.043 4.309 4.470 -0.196 0.000 0.233 736 S C 0.330 174.944 174.600 0.025 0.000 1.006 736 S CA 0.748 58.959 58.200 0.018 0.000 0.957 736 S CB -0.357 62.842 63.200 -0.001 0.000 0.773 736 S HN 0.726 nan 8.310 nan 0.000 0.507 737 D N 0.813 121.220 120.400 0.012 0.000 2.392 737 D HA 0.463 4.986 4.640 -0.196 0.000 0.228 737 D C 0.488 176.816 176.300 0.047 0.000 1.074 737 D CA -0.320 53.696 54.000 0.026 0.000 0.838 737 D CB 1.597 42.404 40.800 0.011 0.000 1.067 737 D HN 0.033 nan 8.370 nan 0.000 0.511 738 S N 2.983 118.721 115.700 0.065 0.000 2.419 738 S HA -0.131 4.222 4.470 -0.196 0.000 0.235 738 S C 1.491 176.136 174.600 0.076 0.000 1.019 738 S CA 0.819 59.068 58.200 0.082 0.000 0.982 738 S CB 0.072 63.322 63.200 0.083 0.000 0.789 738 S HN 0.471 nan 8.310 nan 0.000 0.490 739 K N 1.238 121.682 120.400 0.074 0.000 2.555 739 K HA 0.108 4.311 4.320 -0.196 0.000 0.193 739 K C 0.941 177.590 176.600 0.081 0.000 1.032 739 K CA 0.528 56.868 56.287 0.089 0.000 1.004 739 K CB -0.026 32.535 32.500 0.101 0.000 0.804 739 K HN 0.397 nan 8.250 nan 0.000 0.496 740 K N 0.183 120.620 120.400 0.061 0.000 2.374 740 K HA 0.120 4.322 4.320 -0.196 0.000 0.202 740 K C -0.126 176.532 176.600 0.098 0.000 1.040 740 K CA -0.292 56.038 56.287 0.072 0.000 1.085 740 K CB 0.478 32.992 32.500 0.024 0.000 0.873 740 K HN -0.023 nan 8.250 nan 0.000 0.539 741 N N 1.620 120.328 118.700 0.014 0.000 2.518 741 N HA 0.190 4.812 4.740 -0.196 0.000 0.266 741 N C -0.532 174.777 175.510 -0.335 0.000 1.196 741 N CA 0.364 53.314 53.050 -0.166 0.000 0.947 741 N CB 0.692 39.110 38.487 -0.116 0.000 1.098 741 N HN 0.052 nan 8.380 nan 0.000 0.450 742 I N 0.142 120.325 120.570 -0.645 0.000 2.478 742 I HA 0.431 4.484 4.170 -0.196 0.000 0.287 742 I C 0.431 175.982 176.117 -0.943 0.000 1.042 742 I CA -0.872 60.014 61.300 -0.689 0.000 1.067 742 I CB 2.178 39.819 38.000 -0.598 0.000 1.233 742 I HN 0.375 nan 8.210 nan 0.000 0.431 743 G N 4.891 113.196 108.800 -0.825 0.000 2.448 743 G HA2 0.716 4.559 3.960 -0.196 0.000 0.324 743 G HA3 0.716 4.559 3.960 -0.196 0.000 0.324 743 G C -1.738 172.792 174.900 -0.616 0.000 1.203 743 G CA -0.371 44.234 45.100 -0.824 0.000 0.954 743 G HN 0.414 nan 8.290 nan 0.000 0.480 744 Y N 0.742 121.020 120.300 -0.037 0.000 2.326 744 Y HA 0.480 4.913 4.550 -0.196 0.000 0.329 744 Y C -0.829 175.102 175.900 0.050 0.000 0.973 744 Y CA -1.237 56.804 58.100 -0.099 0.000 1.162 744 Y CB 2.143 40.388 38.460 -0.358 0.000 1.147 744 Y HN 0.498 nan 8.280 nan 0.000 0.456 745 F N 4.890 124.788 119.950 -0.088 0.000 2.402 745 F HA 0.624 5.033 4.527 -0.196 0.000 0.355 745 F C -1.569 173.944 175.800 -0.478 0.000 1.123 745 F CA -2.267 55.635 58.000 -0.163 0.000 1.021 745 F CB 0.299 39.173 39.000 -0.211 0.000 1.160 745 F HN 0.286 nan 8.300 nan 0.000 0.451 746 F N 7.553 127.173 119.950 -0.551 0.000 2.404 746 F HA 0.276 4.685 4.527 -0.196 0.000 0.358 746 F C 0.622 175.874 175.800 -0.913 0.000 1.120 746 F CA -0.356 57.311 58.000 -0.556 0.000 1.144 746 F CB 0.370 39.268 39.000 -0.171 0.000 1.133 746 F HN 0.461 nan 8.300 nan 0.000 0.495 747 F N 0.988 120.649 119.950 -0.481 0.000 2.126 747 F HA -0.114 4.295 4.527 -0.196 0.000 0.299 747 F C 1.031 176.736 175.800 -0.159 0.000 1.096 747 F CA 1.127 58.863 58.000 -0.440 0.000 1.255 747 F CB -0.461 38.424 39.000 -0.192 0.000 0.997 747 F HN 0.159 nan 8.300 nan 0.000 0.479 748 K N -0.016 120.464 120.400 0.132 0.000 2.270 748 K HA 0.291 4.494 4.320 -0.196 0.000 0.255 748 K C -0.453 176.205 176.600 0.096 0.000 0.936 748 K CA -0.678 55.675 56.287 0.110 0.000 0.809 748 K CB 1.344 33.911 32.500 0.113 0.000 1.131 748 K HN -0.156 nan 8.250 nan 0.000 0.427 749 K N 1.282 121.721 120.400 0.065 0.000 2.511 749 K HA 0.079 4.282 4.320 -0.196 0.000 0.280 749 K C -0.389 176.199 176.600 -0.020 0.000 1.008 749 K CA 0.555 56.856 56.287 0.023 0.000 1.050 749 K CB 0.271 32.785 32.500 0.024 0.000 0.889 749 K HN 0.494 nan 8.250 nan 0.000 0.484 750 S N 0.812 116.426 115.700 -0.143 0.000 2.599 750 S HA 0.236 4.589 4.470 -0.196 0.000 0.287 750 S C -0.920 173.535 174.600 -0.242 0.000 1.105 750 S CA -0.869 57.223 58.200 -0.180 0.000 0.899 750 S CB 2.036 65.088 63.200 -0.246 0.000 1.100 750 S HN 0.497 nan 8.310 nan 0.000 0.482 751 S N 1.947 117.554 115.700 -0.154 0.000 2.410 751 S HA 0.631 4.984 4.470 -0.196 0.000 0.304 751 S C -0.279 174.225 174.600 -0.160 0.000 1.095 751 S CA -0.745 57.377 58.200 -0.130 0.000 1.089 751 S CB -0.986 62.170 63.200 -0.072 0.000 0.968 751 S HN 0.563 nan 8.310 nan 0.000 0.480 752 I N 2.091 122.561 120.570 -0.168 0.000 3.067 752 I HA 0.899 4.952 4.170 -0.196 0.000 0.312 752 I C -0.480 175.613 176.117 -0.041 0.000 1.073 752 I CA -0.962 60.245 61.300 -0.154 0.000 1.016 752 I CB 2.336 40.176 38.000 -0.267 0.000 1.227 752 I HN 0.540 nan 8.210 nan 0.000 0.456 753 S N 2.857 118.533 115.700 -0.041 0.000 2.570 753 S HA 0.825 5.177 4.470 -0.196 0.000 0.286 753 S C -0.849 173.763 174.600 0.019 0.000 1.099 753 S CA -0.839 57.375 58.200 0.023 0.000 0.913 753 S CB 1.926 65.106 63.200 -0.033 0.000 1.085 753 S HN 0.755 nan 8.310 nan 0.000 0.480 754 M N 2.019 121.673 119.600 0.090 0.000 2.531 754 M HA 0.622 4.985 4.480 -0.196 0.000 0.286 754 M C -1.159 175.168 176.300 0.046 0.000 1.232 754 M CA -0.498 54.820 55.300 0.029 0.000 0.877 754 M CB 2.726 35.314 32.600 -0.020 0.000 1.726 754 M HN 1.059 nan 8.290 nan 0.000 0.463 755 S N 1.076 116.780 115.700 0.008 0.000 2.570 755 S HA 0.705 5.057 4.470 -0.196 0.000 0.270 755 S C -1.555 173.052 174.600 0.012 0.000 1.149 755 S CA -0.998 57.210 58.200 0.013 0.000 0.837 755 S CB 2.813 66.014 63.200 0.002 0.000 1.124 755 S HN 0.752 nan 8.310 nan 0.000 0.465 756 K N 0.821 121.232 120.400 0.019 0.000 2.545 756 K HA 0.753 4.956 4.320 -0.196 0.000 0.252 756 K C -1.296 175.322 176.600 0.031 0.000 0.948 756 K CA -0.561 55.743 56.287 0.029 0.000 0.827 756 K CB 1.483 33.995 32.500 0.021 0.000 1.128 756 K HN 1.084 nan 8.250 nan 0.000 0.429 757 A N 3.788 126.638 122.820 0.051 0.000 2.549 757 A HA 0.461 4.664 4.320 -0.196 0.000 0.297 757 A C -1.857 175.768 177.584 0.068 0.000 1.061 757 A CA -0.812 51.251 52.037 0.043 0.000 0.690 757 A CB 1.326 20.342 19.000 0.026 0.000 1.287 757 A HN 0.680 nan 8.150 nan 0.000 0.402 758 L N 1.339 122.588 121.223 0.043 0.000 2.361 758 L HA 0.379 4.602 4.340 -0.196 0.000 0.278 758 L C 0.052 176.952 176.870 0.050 0.000 1.113 758 L CA 0.986 55.855 54.840 0.047 0.000 0.849 758 L CB 0.386 42.457 42.059 0.019 0.000 1.155 758 L HN 0.696 nan 8.230 nan 0.000 0.452 759 Q N 5.150 125.004 119.800 0.089 0.000 2.333 759 Q HA 0.487 4.710 4.340 -0.196 0.000 0.267 759 Q C -1.018 174.990 176.000 0.013 0.000 1.012 759 Q CA -0.747 55.073 55.803 0.029 0.000 0.824 759 Q CB 2.260 30.981 28.738 -0.028 0.000 1.290 759 Q HN 0.529 nan 8.270 nan 0.000 0.449 760 K N 0.681 121.066 120.400 -0.025 0.000 2.259 760 K HA 0.860 5.063 4.320 -0.196 0.000 0.249 760 K C -0.488 176.077 176.600 -0.059 0.000 0.942 760 K CA -0.685 55.584 56.287 -0.029 0.000 0.816 760 K CB 2.092 34.583 32.500 -0.016 0.000 1.155 760 K HN 0.767 nan 8.250 nan 0.000 0.428 761 G N -0.026 108.733 108.800 -0.068 0.000 2.441 761 G HA2 0.590 4.433 3.960 -0.196 0.000 0.294 761 G HA3 0.590 4.433 3.960 -0.196 0.000 0.294 761 G C -2.001 172.846 174.900 -0.088 0.000 1.393 761 G CA -0.627 44.420 45.100 -0.088 0.000 0.796 761 G HN 0.624 nan 8.290 nan 0.000 0.494 762 A N -1.286 121.487 122.820 -0.078 0.000 2.413 762 A HA 0.664 4.867 4.320 -0.196 0.000 0.307 762 A C 0.193 177.760 177.584 -0.029 0.000 1.087 762 A CA -0.635 51.391 52.037 -0.018 0.000 0.750 762 A CB 0.910 19.937 19.000 0.045 0.000 1.296 762 A HN 0.863 nan 8.150 nan 0.000 0.423 763 W N 0.840 122.152 121.300 0.020 0.000 2.350 763 W HA -0.115 4.428 4.660 -0.194 0.000 0.289 763 W C 2.100 178.618 176.519 -0.002 0.000 1.215 763 W CA 1.765 59.122 57.345 0.019 0.000 1.236 763 W CB 0.209 29.687 29.460 0.030 0.000 1.130 763 W HN 0.815 nan 8.180 nan 0.000 0.541 764 K N 0.542 121.064 120.400 0.203 0.000 2.147 764 K HA -0.201 4.001 4.320 -0.196 0.000 0.205 764 K C 1.335 177.967 176.600 0.052 0.000 1.049 764 K CA 1.783 58.136 56.287 0.110 0.000 0.936 764 K CB -0.243 32.306 32.500 0.081 0.000 0.722 764 K HN 0.005 nan 8.250 nan 0.000 0.446 765 D N 0.662 121.075 120.400 0.022 0.000 2.182 765 D HA -0.187 4.336 4.640 -0.196 0.000 0.201 765 D C 1.688 177.950 176.300 -0.063 0.000 0.986 765 D CA 1.561 55.547 54.000 -0.024 0.000 0.847 765 D CB -0.046 40.721 40.800 -0.056 0.000 0.942 765 D HN 0.578 nan 8.370 nan 0.000 0.467 766 I N -3.867 116.669 120.570 -0.056 0.000 4.082 766 I HA 0.253 4.306 4.170 -0.196 0.000 0.337 766 I C 0.010 176.089 176.117 -0.063 0.000 1.352 766 I CA -0.253 60.980 61.300 -0.113 0.000 1.097 766 I CB 0.466 38.386 38.000 -0.133 0.000 1.048 766 I HN -0.254 nan 8.210 nan 0.000 0.393 767 N N 1.735 120.445 118.700 0.016 0.000 2.752 767 N HA 0.052 4.675 4.740 -0.196 0.000 0.268 767 N C 0.379 175.920 175.510 0.050 0.000 1.190 767 N CA -0.062 53.009 53.050 0.036 0.000 0.897 767 N CB 1.300 39.837 38.487 0.084 0.000 1.515 767 N HN -0.030 nan 8.380 nan 0.000 0.567 768 E N 2.235 122.458 120.200 0.038 0.000 2.187 768 E HA -0.096 4.137 4.350 -0.196 0.000 0.199 768 E C 1.298 177.922 176.600 0.040 0.000 1.004 768 E CA 1.470 57.895 56.400 0.041 0.000 0.813 768 E CB -0.057 29.670 29.700 0.045 0.000 0.736 768 E HN 0.766 nan 8.360 nan 0.000 0.468 769 G N 0.155 108.976 108.800 0.035 0.000 2.920 769 G HA2 -0.086 3.756 3.960 -0.196 0.000 0.208 769 G HA3 -0.086 3.756 3.960 -0.196 0.000 0.208 769 G C 0.799 175.712 174.900 0.021 0.000 1.159 769 G CA -0.090 45.024 45.100 0.024 0.000 0.784 769 G HN 0.057 nan 8.290 nan 0.000 0.535 770 Q N -0.041 119.785 119.800 0.044 0.000 2.169 770 Q HA 0.375 4.598 4.340 -0.196 0.000 0.234 770 Q C -0.077 175.967 176.000 0.073 0.000 0.980 770 Q CA -0.506 55.327 55.803 0.050 0.000 0.941 770 Q CB 1.144 29.955 28.738 0.121 0.000 1.199 770 Q HN 0.095 nan 8.270 nan 0.000 0.496 771 S N 0.765 116.512 115.700 0.079 0.000 2.564 771 S HA -0.009 4.344 4.470 -0.196 0.000 0.278 771 S C 0.386 175.061 174.600 0.124 0.000 1.333 771 S CA -0.344 57.905 58.200 0.083 0.000 1.048 771 S CB 0.258 63.500 63.200 0.070 0.000 0.900 771 S HN 0.564 nan 8.310 nan 0.000 0.505 772 D N 2.979 123.428 120.400 0.081 0.000 2.349 772 D HA 0.006 4.529 4.640 -0.196 0.000 0.224 772 D C 0.447 176.790 176.300 0.072 0.000 1.029 772 D CA 0.034 54.078 54.000 0.073 0.000 0.879 772 D CB -0.224 40.603 40.800 0.045 0.000 0.906 772 D HN 0.513 nan 8.370 nan 0.000 0.528 773 K N 1.166 121.619 120.400 0.089 0.000 2.448 773 K HA -0.049 4.153 4.320 -0.196 0.000 0.278 773 K C 0.204 176.857 176.600 0.088 0.000 1.009 773 K CA -0.308 56.029 56.287 0.083 0.000 0.995 773 K CB 0.509 33.064 32.500 0.092 0.000 0.917 773 K HN 0.017 nan 8.250 nan 0.000 0.481 774 E N 3.092 123.327 120.200 0.058 0.000 2.344 774 E HA 0.086 4.319 4.350 -0.196 0.000 0.270 774 E C -1.056 175.573 176.600 0.050 0.000 1.021 774 E CA -0.371 56.054 56.400 0.041 0.000 0.887 774 E CB 0.927 30.642 29.700 0.025 0.000 0.997 774 E HN 0.322 nan 8.360 nan 0.000 0.429 775 V N 4.044 123.975 119.914 0.028 0.000 2.864 775 V HA 0.410 4.413 4.120 -0.196 0.000 0.314 775 V C -0.376 175.718 176.094 -0.001 0.000 1.073 775 V CA -0.633 61.683 62.300 0.027 0.000 0.956 775 V CB 1.882 33.706 31.823 0.002 0.000 1.023 775 V HN 0.794 nan 8.190 nan 0.000 0.435 776 E N 2.557 122.763 120.200 0.009 0.000 2.366 776 E HA 0.612 4.845 4.350 -0.196 0.000 0.278 776 E C -1.781 174.820 176.600 0.001 0.000 0.923 776 E CA -1.044 55.360 56.400 0.007 0.000 0.761 776 E CB 2.699 32.404 29.700 0.008 0.000 1.231 776 E HN 0.539 nan 8.360 nan 0.000 0.443 777 N N 0.971 119.680 118.700 0.017 0.000 2.484 777 N HA 0.205 4.827 4.740 -0.196 0.000 0.269 777 N C -1.602 173.878 175.510 -0.049 0.000 1.237 777 N CA -0.673 52.331 53.050 -0.077 0.000 0.838 777 N CB 2.442 40.800 38.487 -0.214 0.000 1.593 777 N HN 0.650 nan 8.380 nan 0.000 0.485 778 E N 0.478 120.579 120.200 -0.164 0.000 2.249 778 E HA 0.512 4.744 4.350 -0.196 0.000 0.280 778 E C -1.377 175.070 176.600 -0.255 0.000 1.016 778 E CA -0.086 56.262 56.400 -0.086 0.000 0.830 778 E CB 0.575 30.232 29.700 -0.071 0.000 1.081 778 E HN 0.277 nan 8.360 nan 0.000 0.395 779 F N 3.181 123.097 119.950 -0.056 0.000 2.563 779 F HA 0.379 4.789 4.527 -0.196 0.000 0.316 779 F C -0.855 174.925 175.800 -0.034 0.000 1.076 779 F CA -1.193 56.776 58.000 -0.052 0.000 0.921 779 F CB 1.436 40.380 39.000 -0.093 0.000 1.209 779 F HN 0.291 nan 8.300 nan 0.000 0.462 780 L N 2.766 124.081 121.223 0.154 0.000 2.280 780 L HA 0.617 4.839 4.340 -0.196 0.000 0.287 780 L C -0.570 176.328 176.870 0.045 0.000 1.023 780 L CA -0.180 54.698 54.840 0.064 0.000 0.819 780 L CB 0.611 42.681 42.059 0.018 0.000 1.212 780 L HN 0.565 nan 8.230 nan 0.000 0.420 781 T N 6.864 121.422 114.554 0.007 0.000 2.794 781 T HA 0.672 4.905 4.350 -0.196 0.000 0.280 781 T C -0.030 174.618 174.700 -0.087 0.000 0.987 781 T CA -0.155 61.924 62.100 -0.034 0.000 0.993 781 T CB 1.037 69.884 68.868 -0.034 0.000 0.939 781 T HN 0.490 nan 8.240 nan 0.000 0.449 782 I N 3.041 123.528 120.570 -0.138 0.000 2.466 782 I HA 0.539 4.591 4.170 -0.196 0.000 0.289 782 I C 0.067 176.074 176.117 -0.183 0.000 1.026 782 I CA -0.727 60.452 61.300 -0.203 0.000 1.078 782 I CB 1.888 39.662 38.000 -0.377 0.000 1.249 782 I HN 0.691 nan 8.210 nan 0.000 0.429 783 S N 4.661 120.267 115.700 -0.156 0.000 2.595 783 S HA 0.606 4.959 4.470 -0.196 0.000 0.281 783 S C -1.081 173.422 174.600 -0.163 0.000 1.117 783 S CA -0.823 57.290 58.200 -0.145 0.000 0.873 783 S CB 2.488 65.623 63.200 -0.108 0.000 1.108 783 S HN 0.676 nan 8.310 nan 0.000 0.477 784 Q N 0.924 120.610 119.800 -0.190 0.000 2.290 784 Q HA 0.642 4.864 4.340 -0.196 0.000 0.269 784 Q C -0.760 174.988 176.000 -0.420 0.000 1.016 784 Q CA -0.805 54.861 55.803 -0.228 0.000 0.754 784 Q CB 1.728 30.390 28.738 -0.126 0.000 1.247 784 Q HN 1.071 nan 8.270 nan 0.000 0.451 785 A N 3.405 126.039 122.820 -0.311 0.000 2.386 785 A HA 0.353 4.556 4.320 -0.196 0.000 0.248 785 A C -0.874 176.499 177.584 -0.353 0.000 1.082 785 A CA -0.113 51.741 52.037 -0.304 0.000 0.789 785 A CB 0.327 19.249 19.000 -0.130 0.000 1.025 785 A HN 0.814 nan 8.150 nan 0.000 0.490 786 H N 1.940 121.040 119.070 0.051 0.000 2.675 786 H HA 0.247 4.686 4.556 -0.196 0.000 0.258 786 H C 0.010 175.362 175.328 0.041 0.000 1.271 786 H CA -0.415 55.670 56.048 0.061 0.000 1.462 786 H CB 0.993 30.811 29.762 0.092 0.000 1.467 786 H HN 0.807 nan 8.280 nan 0.000 0.501 787 K N 0.544 121.013 120.400 0.116 0.000 2.418 787 K HA 0.062 4.264 4.320 -0.196 0.000 0.195 787 K C 0.358 176.995 176.600 0.061 0.000 1.035 787 K CA 0.544 56.872 56.287 0.068 0.000 1.003 787 K CB 0.665 33.185 32.500 0.034 0.000 0.793 787 K HN 0.350 nan 8.250 nan 0.000 0.494 788 Q N 0.375 120.217 119.800 0.070 0.000 2.394 788 Q HA 0.231 4.453 4.340 -0.196 0.000 0.273 788 Q C -1.086 174.933 176.000 0.032 0.000 1.089 788 Q CA -0.558 55.270 55.803 0.041 0.000 0.812 788 Q CB 1.807 30.564 28.738 0.031 0.000 1.353 788 Q HN 0.141 nan 8.270 nan 0.000 0.438 789 N N -0.279 118.428 118.700 0.011 0.000 2.492 789 N HA 0.288 4.911 4.740 -0.196 0.000 0.260 789 N C 0.767 176.264 175.510 -0.022 0.000 1.215 789 N CA 0.864 53.909 53.050 -0.008 0.000 0.923 789 N CB 0.391 38.868 38.487 -0.015 0.000 1.092 789 N HN 0.868 nan 8.380 nan 0.000 0.448 790 G N 0.618 109.390 108.800 -0.048 0.000 2.157 790 G HA2 -0.238 3.604 3.960 -0.196 0.000 0.248 790 G HA3 -0.238 3.604 3.960 -0.196 0.000 0.248 790 G C -0.216 174.650 174.900 -0.058 0.000 0.979 790 G CA -0.317 44.746 45.100 -0.063 0.000 0.650 790 G HN 0.570 nan 8.290 nan 0.000 0.529 791 D N 0.093 120.465 120.400 -0.046 0.000 2.371 791 D HA 0.642 5.164 4.640 -0.196 0.000 0.242 791 D C 0.470 176.714 176.300 -0.093 0.000 1.218 791 D CA 0.971 54.958 54.000 -0.022 0.000 0.945 791 D CB 1.360 42.189 40.800 0.049 0.000 1.137 791 D HN 0.224 nan 8.370 nan 0.000 0.464 792 S N -0.765 114.915 115.700 -0.033 0.000 2.570 792 S HA 0.603 4.956 4.470 -0.196 0.000 0.270 792 S C -1.814 172.859 174.600 0.122 0.000 1.149 792 S CA -0.775 57.383 58.200 -0.070 0.000 0.837 792 S CB 0.600 63.772 63.200 -0.047 0.000 1.124 792 S HN 0.367 nan 8.310 nan 0.000 0.465 793 Y N -0.588 119.795 120.300 0.138 0.000 2.581 793 Y HA 0.906 5.339 4.550 -0.196 0.000 0.345 793 Y C -0.242 175.806 175.900 0.246 0.000 1.036 793 Y CA -1.040 57.228 58.100 0.280 0.000 1.042 793 Y CB 1.304 40.020 38.460 0.425 0.000 1.289 793 Y HN 0.841 nan 8.280 nan 0.000 0.471 794 G N 1.843 111.000 108.800 0.595 0.000 2.552 794 G HA2 0.518 4.361 3.960 -0.196 0.000 0.288 794 G HA3 0.518 4.361 3.960 -0.196 0.000 0.288 794 G C -2.259 172.900 174.900 0.432 0.000 1.358 794 G CA -0.783 44.607 45.100 0.483 0.000 1.305 794 G HN 1.089 nan 8.290 nan 0.000 0.602 795 Y N -0.258 120.131 120.300 0.148 0.000 2.638 795 Y HA 0.846 5.278 4.550 -0.196 0.000 0.335 795 Y C -0.899 174.845 175.900 -0.260 0.000 1.155 795 Y CA -2.053 55.750 58.100 -0.495 0.000 1.046 795 Y CB 2.002 40.010 38.460 -0.754 0.000 1.303 795 Y HN 0.512 nan 8.280 nan 0.000 0.460 796 M N 3.261 122.681 119.600 -0.301 0.000 2.167 796 M HA 0.506 4.869 4.480 -0.196 0.000 0.333 796 M C -1.932 174.433 176.300 0.109 0.000 1.030 796 M CA -1.064 54.257 55.300 0.035 0.000 0.963 796 M CB 1.323 33.973 32.600 0.084 0.000 1.589 796 M HN 0.755 nan 8.290 nan 0.000 0.431 797 L N 7.231 128.543 121.223 0.148 0.000 2.281 797 L HA 0.583 4.805 4.340 -0.196 0.000 0.285 797 L C -1.413 175.406 176.870 -0.086 0.000 1.074 797 L CA 0.430 55.248 54.840 -0.036 0.000 0.817 797 L CB 0.139 42.198 42.059 0.001 0.000 1.168 797 L HN 0.723 nan 8.230 nan 0.000 0.434 798 I N 8.149 128.638 120.570 -0.136 0.000 2.437 798 I HA 0.385 4.438 4.170 -0.196 0.000 0.279 798 I C -2.287 173.707 176.117 -0.205 0.000 1.028 798 I CA -1.612 59.636 61.300 -0.086 0.000 1.142 798 I CB 1.352 39.445 38.000 0.154 0.000 1.266 798 I HN 0.506 nan 8.210 nan 0.000 0.461 799 P HA 0.385 nan 4.420 nan 0.000 0.283 799 P C -0.521 176.666 177.300 -0.187 0.000 1.271 799 P CA -0.427 62.450 63.100 -0.371 0.000 0.841 799 P CB 0.845 32.151 31.700 -0.655 0.000 1.122 800 N N -2.756 115.896 118.700 -0.080 0.000 2.776 800 N HA -0.108 4.514 4.740 -0.196 0.000 0.250 800 N C -0.180 175.376 175.510 0.076 0.000 1.112 800 N CA 1.285 54.357 53.050 0.037 0.000 0.733 800 N CB -2.180 36.381 38.487 0.123 0.000 1.097 800 N HN 0.405 nan 8.380 nan 0.000 0.558 801 V N -3.120 116.852 119.914 0.098 0.000 2.960 801 V HA 0.826 4.828 4.120 -0.196 0.000 0.315 801 V C 0.403 176.618 176.094 0.201 0.000 1.087 801 V CA -1.100 61.276 62.300 0.128 0.000 0.982 801 V CB 2.277 34.172 31.823 0.120 0.000 1.039 801 V HN 0.168 nan 8.190 nan 0.000 0.437 802 D N 1.919 122.394 120.400 0.126 0.000 2.398 802 D HA 0.205 4.728 4.640 -0.196 0.000 0.247 802 D C 1.103 177.354 176.300 -0.083 0.000 1.227 802 D CA -0.363 53.709 54.000 0.119 0.000 0.980 802 D CB 0.835 41.671 40.800 0.060 0.000 1.106 802 D HN 0.682 nan 8.370 nan 0.000 0.493 803 R N -0.084 120.258 120.500 -0.263 0.000 2.081 803 R HA -0.142 4.080 4.340 -0.196 0.000 0.235 803 R C 1.941 177.976 176.300 -0.442 0.000 1.131 803 R CA 1.502 57.129 56.100 -0.787 0.000 0.960 803 R CB -0.587 29.342 30.300 -0.618 0.000 0.856 803 R HN 0.581 nan 8.270 nan 0.000 0.436 804 A N -0.168 122.509 122.820 -0.238 0.000 1.930 804 A HA -0.094 4.109 4.320 -0.196 0.000 0.217 804 A C 2.124 179.619 177.584 -0.149 0.000 1.175 804 A CA 1.841 53.776 52.037 -0.172 0.000 0.627 804 A CB -0.675 18.258 19.000 -0.112 0.000 0.815 804 A HN 0.435 nan 8.150 nan 0.000 0.443 805 T N -0.770 113.717 114.554 -0.112 0.000 2.777 805 T HA -0.098 4.135 4.350 -0.196 0.000 0.266 805 T C 1.596 176.244 174.700 -0.087 0.000 1.040 805 T CA 1.455 63.508 62.100 -0.080 0.000 1.141 805 T CB -0.377 68.474 68.868 -0.029 0.000 0.868 805 T HN 0.493 nan 8.240 nan 0.000 0.444 806 F N 3.121 122.912 119.950 -0.265 0.000 2.102 806 F HA -0.135 4.275 4.527 -0.195 0.000 0.298 806 F C 2.012 177.637 175.800 -0.290 0.000 1.105 806 F CA 1.142 58.974 58.000 -0.279 0.000 1.239 806 F CB -0.503 38.229 39.000 -0.447 0.000 0.991 806 F HN 0.035 nan 8.300 nan 0.000 0.474 807 N N 0.469 118.958 118.700 -0.352 0.000 2.166 807 N HA -0.219 4.404 4.740 -0.196 0.000 0.186 807 N C 1.869 177.159 175.510 -0.367 0.000 1.019 807 N CA 1.438 54.249 53.050 -0.398 0.000 0.856 807 N CB -0.592 37.751 38.487 -0.240 0.000 0.993 807 N HN 0.504 nan 8.380 nan 0.000 0.426 808 Q N 0.158 119.792 119.800 -0.276 0.000 2.079 808 Q HA 0.086 4.309 4.340 -0.196 0.000 0.200 808 Q C 2.061 177.895 176.000 -0.275 0.000 0.974 808 Q CA 1.109 56.776 55.803 -0.227 0.000 0.840 808 Q CB 0.050 28.694 28.738 -0.157 0.000 0.898 808 Q HN 0.313 nan 8.270 nan 0.000 0.430 809 M N 0.156 119.569 119.600 -0.313 0.000 2.159 809 M HA -0.144 4.219 4.480 -0.196 0.000 0.263 809 M C 2.126 178.137 176.300 -0.482 0.000 1.063 809 M CA 1.284 56.393 55.300 -0.319 0.000 1.110 809 M CB -0.343 32.106 32.600 -0.251 0.000 1.374 809 M HN 0.428 nan 8.290 nan 0.000 0.411 810 I N -2.073 118.052 120.570 -0.741 0.000 2.546 810 I HA -0.188 3.865 4.170 -0.196 0.000 0.255 810 I C 1.931 177.581 176.117 -0.778 0.000 1.163 810 I CA 1.185 61.804 61.300 -1.135 0.000 1.457 810 I CB -0.538 36.573 38.000 -1.482 0.000 1.092 810 I HN 0.119 nan 8.210 nan 0.000 0.434 811 K N 1.724 121.847 120.400 -0.461 0.000 2.057 811 K HA -0.119 4.084 4.320 -0.196 0.000 0.206 811 K C 1.918 178.399 176.600 -0.199 0.000 1.050 811 K CA 1.561 57.689 56.287 -0.264 0.000 0.935 811 K CB -0.315 32.072 32.500 -0.189 0.000 0.715 811 K HN 0.553 nan 8.250 nan 0.000 0.439 812 E N 0.449 120.522 120.200 -0.213 0.000 2.118 812 E HA -0.152 4.081 4.350 -0.196 0.000 0.195 812 E C 1.211 177.738 176.600 -0.121 0.000 0.992 812 E CA 0.724 57.033 56.400 -0.151 0.000 0.804 812 E CB 0.062 29.669 29.700 -0.154 0.000 0.741 812 E HN 0.009 nan 8.360 nan 0.000 0.458 813 L N 0.643 121.771 121.223 -0.159 0.000 2.628 813 L HA 0.039 4.262 4.340 -0.196 0.000 0.229 813 L C 1.800 178.777 176.870 0.179 0.000 1.137 813 L CA 0.675 55.511 54.840 -0.007 0.000 0.909 813 L CB -0.203 41.844 42.059 -0.019 0.000 1.137 813 L HN 0.032 nan 8.230 nan 0.000 0.470 814 E N 0.204 120.451 120.200 0.078 0.000 2.114 814 E HA -0.197 4.035 4.350 -0.196 0.000 0.199 814 E C 1.355 178.094 176.600 0.232 0.000 1.008 814 E CA 1.857 58.376 56.400 0.199 0.000 0.810 814 E CB 0.140 29.889 29.700 0.082 0.000 0.739 814 E HN 0.241 nan 8.360 nan 0.000 0.456 815 S N -0.821 114.969 115.700 0.149 0.000 2.601 815 S HA 0.082 4.434 4.470 -0.196 0.000 0.244 815 S C 1.155 175.815 174.600 0.099 0.000 1.001 815 S CA 0.231 58.501 58.200 0.116 0.000 0.984 815 S CB 0.504 63.757 63.200 0.089 0.000 0.842 815 S HN 0.406 nan 8.310 nan 0.000 0.474 816 S N 1.146 116.915 115.700 0.116 0.000 2.447 816 S HA 0.088 4.440 4.470 -0.196 0.000 0.233 816 S C 0.815 175.323 174.600 -0.153 0.000 1.006 816 S CA 0.118 58.339 58.200 0.035 0.000 0.957 816 S CB -0.313 62.947 63.200 0.099 0.000 0.773 816 S HN 0.451 nan 8.310 nan 0.000 0.507 817 L N 3.035 124.068 121.223 -0.316 0.000 2.385 817 L HA 0.231 4.454 4.340 -0.196 0.000 0.281 817 L C 0.696 177.430 176.870 -0.226 0.000 1.106 817 L CA 0.048 54.575 54.840 -0.522 0.000 0.856 817 L CB 0.068 41.731 42.059 -0.659 0.000 1.186 817 L HN 0.173 nan 8.230 nan 0.000 0.453 818 I N 3.385 123.844 120.570 -0.184 0.000 2.429 818 I HA 0.106 4.159 4.170 -0.196 0.000 0.247 818 I C 0.722 176.782 176.117 -0.095 0.000 1.099 818 I CA 0.750 62.001 61.300 -0.082 0.000 1.422 818 I CB -0.305 37.691 38.000 -0.007 0.000 1.112 818 I HN 0.629 nan 8.210 nan 0.000 0.430 819 E N 0.099 120.226 120.200 -0.121 0.000 2.375 819 E HA 0.341 4.574 4.350 -0.196 0.000 0.280 819 E C -0.814 175.725 176.600 -0.103 0.000 0.972 819 E CA -0.425 55.922 56.400 -0.088 0.000 0.782 819 E CB 1.681 31.354 29.700 -0.046 0.000 1.229 819 E HN 0.148 nan 8.360 nan 0.000 0.439 820 N N 3.316 121.970 118.700 -0.077 0.000 2.751 820 N HA 0.176 4.799 4.740 -0.196 0.000 0.234 820 N C -1.476 174.001 175.510 -0.055 0.000 1.403 820 N CA -0.262 52.745 53.050 -0.072 0.000 0.747 820 N CB 0.021 38.446 38.487 -0.104 0.000 1.326 820 N HN 0.528 nan 8.380 nan 0.000 0.532 821 N N 0.026 118.707 118.700 -0.031 0.000 3.167 821 N HA 0.257 4.879 4.740 -0.196 0.000 0.323 821 N C 0.595 176.087 175.510 -0.030 0.000 1.478 821 N CA -0.528 52.499 53.050 -0.038 0.000 0.753 821 N CB 0.226 38.696 38.487 -0.028 0.000 1.721 821 N HN 0.060 nan 8.380 nan 0.000 0.618 822 E N -1.651 118.518 120.200 -0.050 0.000 2.338 822 E HA -0.068 4.165 4.350 -0.196 0.000 0.197 822 E C 0.850 177.475 176.600 0.042 0.000 1.007 822 E CA 1.890 58.250 56.400 -0.067 0.000 0.849 822 E CB -0.731 28.908 29.700 -0.101 0.000 0.774 822 E HN 0.802 nan 8.360 nan 0.000 0.506 823 T N -2.843 111.750 114.554 0.064 0.000 2.959 823 T HA 0.338 4.571 4.350 -0.196 0.000 0.254 823 T C 0.102 174.913 174.700 0.186 0.000 1.003 823 T CA -0.396 61.783 62.100 0.132 0.000 0.950 823 T CB 0.192 69.115 68.868 0.092 0.000 1.090 823 T HN 0.089 nan 8.240 nan 0.000 0.503 824 L N 1.447 122.752 121.223 0.137 0.000 2.470 824 L HA 0.581 4.804 4.340 -0.196 0.000 0.268 824 L C -1.928 175.016 176.870 0.124 0.000 0.964 824 L CA -0.485 54.441 54.840 0.144 0.000 0.839 824 L CB 2.359 44.461 42.059 0.072 0.000 1.276 824 L HN 0.112 nan 8.230 nan 0.000 0.403 825 Q N 3.116 123.035 119.800 0.198 0.000 2.304 825 Q HA 0.763 4.986 4.340 -0.196 0.000 0.270 825 Q C -1.393 174.739 176.000 0.220 0.000 1.035 825 Q CA -0.615 55.298 55.803 0.182 0.000 0.781 825 Q CB 2.366 31.286 28.738 0.303 0.000 1.261 825 Q HN 0.626 nan 8.270 nan 0.000 0.444 826 S N 1.652 117.318 115.700 -0.057 0.000 2.535 826 S HA 0.679 5.032 4.470 -0.196 0.000 0.272 826 S C -1.631 172.735 174.600 -0.390 0.000 1.149 826 S CA -0.490 57.654 58.200 -0.095 0.000 0.888 826 S CB 1.573 64.834 63.200 0.101 0.000 1.110 826 S HN 0.309 nan 8.310 nan 0.000 0.463 827 V N 4.467 124.113 119.914 -0.446 0.000 2.656 827 V HA 0.586 4.588 4.120 -0.196 0.000 0.307 827 V C -1.413 174.689 176.094 0.014 0.000 1.051 827 V CA -0.726 61.356 62.300 -0.364 0.000 0.893 827 V CB 1.790 33.254 31.823 -0.599 0.000 0.999 827 V HN 0.869 nan 8.190 nan 0.000 0.426 828 Y N 2.978 123.181 120.300 -0.161 0.000 2.341 828 Y HA 0.605 5.038 4.550 -0.196 0.000 0.338 828 Y C -0.536 175.223 175.900 -0.236 0.000 0.965 828 Y CA -1.500 56.429 58.100 -0.284 0.000 1.108 828 Y CB 1.710 39.969 38.460 -0.334 0.000 1.180 828 Y HN 0.717 nan 8.280 nan 0.000 0.458 829 D N 4.901 124.904 120.400 -0.661 0.000 2.467 829 D HA 0.355 4.877 4.640 -0.196 0.000 0.220 829 D C 0.521 176.204 176.300 -1.028 0.000 1.103 829 D CA 0.201 53.834 54.000 -0.610 0.000 0.886 829 D CB 1.313 41.942 40.800 -0.284 0.000 1.025 829 D HN 0.771 nan 8.370 nan 0.000 0.514 830 A N 4.436 126.594 122.820 -1.103 0.000 2.015 830 A HA -0.133 4.070 4.320 -0.196 0.000 0.219 830 A C 2.000 179.345 177.584 -0.398 0.000 1.163 830 A CA 1.180 52.676 52.037 -0.901 0.000 0.646 830 A CB -0.195 18.531 19.000 -0.457 0.000 0.806 830 A HN 0.548 nan 8.150 nan 0.000 0.448 831 K N -0.458 119.761 120.400 -0.301 0.000 2.057 831 K HA -0.141 4.061 4.320 -0.196 0.000 0.207 831 K C 2.101 178.612 176.600 -0.149 0.000 1.049 831 K CA 1.673 57.855 56.287 -0.175 0.000 0.931 831 K CB -0.146 32.271 32.500 -0.138 0.000 0.714 831 K HN 0.582 nan 8.250 nan 0.000 0.440 832 Q N -1.079 118.613 119.800 -0.181 0.000 2.354 832 Q HA 0.064 4.287 4.340 -0.196 0.000 0.203 832 Q C 0.472 176.405 176.000 -0.111 0.000 0.933 832 Q CA 0.625 56.356 55.803 -0.120 0.000 0.901 832 Q CB 0.645 29.323 28.738 -0.101 0.000 1.007 832 Q HN 0.587 nan 8.270 nan 0.000 0.495 833 G N 1.183 109.860 108.800 -0.205 0.000 2.272 833 G HA2 -0.223 3.620 3.960 -0.196 0.000 0.280 833 G HA3 -0.223 3.620 3.960 -0.196 0.000 0.280 833 G C -0.332 174.513 174.900 -0.091 0.000 1.067 833 G CA 0.137 45.154 45.100 -0.139 0.000 0.902 833 G HN 0.183 nan 8.290 nan 0.000 0.500 834 V N 0.722 120.515 119.914 -0.202 0.000 2.656 834 V HA 0.738 4.741 4.120 -0.196 0.000 0.307 834 V C -0.012 176.134 176.094 0.087 0.000 1.051 834 V CA -1.075 61.266 62.300 0.068 0.000 0.893 834 V CB 1.827 33.690 31.823 0.066 0.000 0.999 834 V HN 0.352 nan 8.190 nan 0.000 0.426 835 W N 2.063 123.591 121.300 0.379 0.000 2.666 835 W HA 0.703 5.246 4.660 -0.196 0.000 0.334 835 W C 0.294 177.019 176.519 0.342 0.000 1.051 835 W CA -0.813 56.772 57.345 0.400 0.000 1.224 835 W CB 2.507 32.241 29.460 0.457 0.000 1.405 835 W HN 0.739 nan 8.180 nan 0.000 0.513 836 G N 2.444 111.602 108.800 0.596 0.000 2.388 836 G HA2 0.798 4.640 3.960 -0.196 0.000 0.330 836 G HA3 0.798 4.640 3.960 -0.196 0.000 0.330 836 G C -1.403 173.912 174.900 0.691 0.000 1.142 836 G CA -0.608 44.873 45.100 0.635 0.000 0.908 836 G HN 0.386 nan 8.290 nan 0.000 0.473 837 I N 0.981 121.898 120.570 0.578 0.000 2.656 837 I HA 0.330 4.383 4.170 -0.196 0.000 0.292 837 I C -0.807 175.594 176.117 0.473 0.000 1.144 837 I CA -1.022 60.572 61.300 0.491 0.000 1.038 837 I CB 2.722 40.877 38.000 0.259 0.000 1.244 837 I HN 0.159 nan 8.210 nan 0.000 0.420 838 V N 5.324 125.497 119.914 0.432 0.000 2.487 838 V HA 0.450 4.452 4.120 -0.196 0.000 0.298 838 V C -0.293 176.036 176.094 0.393 0.000 1.028 838 V CA -0.772 61.753 62.300 0.376 0.000 0.860 838 V CB 1.813 33.822 31.823 0.309 0.000 0.991 838 V HN 0.609 nan 8.190 nan 0.000 0.427 839 K N 3.378 124.022 120.400 0.406 0.000 2.274 839 K HA 0.465 4.668 4.320 -0.196 0.000 0.262 839 K C -0.660 176.099 176.600 0.264 0.000 0.961 839 K CA -0.597 55.895 56.287 0.341 0.000 0.833 839 K CB 1.901 34.590 32.500 0.315 0.000 1.102 839 K HN 0.602 nan 8.250 nan 0.000 0.436 840 Y N 0.835 121.181 120.300 0.077 0.000 2.462 840 Y HA -0.012 4.420 4.550 -0.196 0.000 0.261 840 Y C 0.341 176.154 175.900 -0.145 0.000 1.146 840 Y CA 0.005 58.019 58.100 -0.144 0.000 1.283 840 Y CB 0.461 38.817 38.460 -0.174 0.000 1.090 840 Y HN 0.667 nan 8.280 nan 0.000 0.526 841 D N -3.100 117.348 120.400 0.079 0.000 2.610 841 D HA 0.127 4.650 4.640 -0.196 0.000 0.271 841 D C -0.548 175.784 176.300 0.052 0.000 1.174 841 D CA -0.687 53.333 54.000 0.034 0.000 0.949 841 D CB 0.547 41.371 40.800 0.040 0.000 1.430 841 D HN -0.239 nan 8.370 nan 0.000 0.467 842 D N -0.244 120.175 120.400 0.031 0.000 2.370 842 D HA 0.096 4.619 4.640 -0.196 0.000 0.230 842 D C 0.225 176.538 176.300 0.021 0.000 1.143 842 D CA 0.051 54.072 54.000 0.035 0.000 0.834 842 D CB -0.171 40.641 40.800 0.020 0.000 0.944 842 D HN 0.423 nan 8.370 nan 0.000 0.504 843 S N -0.670 115.041 115.700 0.019 0.000 2.584 843 S HA 0.164 4.517 4.470 -0.196 0.000 0.270 843 S C 0.510 175.104 174.600 -0.011 0.000 1.346 843 S CA -0.773 57.428 58.200 0.001 0.000 1.018 843 S CB 1.532 64.733 63.200 0.000 0.000 0.899 843 S HN -0.091 nan 8.310 nan 0.000 0.542 844 V N 2.792 122.687 119.914 -0.032 0.000 2.439 844 V HA 0.236 4.238 4.120 -0.196 0.000 0.271 844 V C 0.220 176.270 176.094 -0.074 0.000 1.040 844 V CA -0.130 62.135 62.300 -0.058 0.000 1.002 844 V CB 0.319 32.102 31.823 -0.068 0.000 1.000 844 V HN 0.923 nan 8.190 nan 0.000 0.477 845 S N 3.664 119.306 115.700 -0.096 0.000 2.433 845 S HA 0.427 4.780 4.470 -0.196 0.000 0.310 845 S C 0.187 174.670 174.600 -0.195 0.000 1.097 845 S CA -0.532 57.596 58.200 -0.121 0.000 1.103 845 S CB 1.285 64.423 63.200 -0.102 0.000 0.992 845 S HN 0.784 nan 8.310 nan 0.000 0.469 846 T N 4.470 118.899 114.554 -0.209 0.000 2.806 846 T HA 0.437 4.670 4.350 -0.196 0.000 0.290 846 T C -0.200 174.276 174.700 -0.373 0.000 0.966 846 T CA -0.436 61.487 62.100 -0.295 0.000 1.060 846 T CB 0.245 68.977 68.868 -0.227 0.000 0.927 846 T HN 0.345 nan 8.240 nan 0.000 0.485 847 I N 2.700 122.888 120.570 -0.637 0.000 2.382 847 I HA 0.282 4.335 4.170 -0.196 0.000 0.286 847 I C 0.798 176.457 176.117 -0.763 0.000 1.002 847 I CA -0.579 60.262 61.300 -0.764 0.000 1.135 847 I CB 0.838 38.089 38.000 -1.249 0.000 1.288 847 I HN 0.799 nan 8.210 nan 0.000 0.448 848 S N 4.350 119.820 115.700 -0.384 0.000 3.521 848 S HA -0.280 4.072 4.470 -0.196 0.000 0.328 848 S C 0.838 175.315 174.600 -0.204 0.000 1.165 848 S CA 1.211 59.277 58.200 -0.223 0.000 0.941 848 S CB -1.544 61.595 63.200 -0.103 0.000 0.951 848 S HN 0.913 nan 8.310 nan 0.000 0.539 849 N N -0.634 117.921 118.700 -0.241 0.000 2.725 849 N HA -0.267 4.356 4.740 -0.196 0.000 0.249 849 N C 0.671 176.085 175.510 -0.161 0.000 1.103 849 N CA 1.455 54.399 53.050 -0.176 0.000 0.707 849 N CB -0.450 37.980 38.487 -0.094 0.000 1.043 849 N HN 0.769 nan 8.380 nan 0.000 0.553 850 Q N -1.704 117.930 119.800 -0.277 0.000 2.459 850 Q HA 0.254 4.476 4.340 -0.196 0.000 0.260 850 Q C -0.275 175.625 176.000 -0.166 0.000 0.828 850 Q CA 0.608 56.333 55.803 -0.129 0.000 0.987 850 Q CB 0.800 29.560 28.738 0.037 0.000 1.216 850 Q HN 0.440 nan 8.270 nan 0.000 0.558 851 F N -1.497 118.191 119.950 -0.437 0.000 2.741 851 F HA 0.572 4.981 4.527 -0.196 0.000 0.313 851 F C -1.709 173.756 175.800 -0.559 0.000 1.153 851 F CA -1.277 56.339 58.000 -0.641 0.000 0.931 851 F CB 1.135 39.514 39.000 -1.034 0.000 1.335 851 F HN -0.352 nan 8.300 nan 0.000 0.460 852 Q N 1.562 121.152 119.800 -0.350 0.000 2.365 852 Q HA 0.711 4.933 4.340 -0.196 0.000 0.269 852 Q C -1.216 174.656 176.000 -0.214 0.000 1.061 852 Q CA -1.402 54.230 55.803 -0.284 0.000 0.816 852 Q CB 3.222 31.810 28.738 -0.250 0.000 1.325 852 Q HN 0.722 nan 8.270 nan 0.000 0.446 853 V N 0.160 119.979 119.914 -0.158 0.000 2.628 853 V HA 0.495 4.498 4.120 -0.196 0.000 0.306 853 V C -0.026 176.016 176.094 -0.086 0.000 1.045 853 V CA -0.625 61.579 62.300 -0.160 0.000 0.905 853 V CB 1.209 32.723 31.823 -0.516 0.000 0.997 853 V HN 0.856 nan 8.190 nan 0.000 0.436 854 L N 1.148 122.387 121.223 0.027 0.000 2.781 854 L HA 0.482 4.705 4.340 -0.196 0.000 0.245 854 L C 0.782 177.693 176.870 0.068 0.000 1.118 854 L CA 0.183 55.036 54.840 0.021 0.000 0.918 854 L CB 0.267 42.319 42.059 -0.011 0.000 1.246 854 L HN 0.647 nan 8.230 nan 0.000 0.526 855 K N 1.116 121.619 120.400 0.172 0.000 2.422 855 K HA 0.368 4.571 4.320 -0.196 0.000 0.251 855 K C -0.632 176.158 176.600 0.317 0.000 0.933 855 K CA -0.862 55.523 56.287 0.163 0.000 0.798 855 K CB 3.009 35.520 32.500 0.018 0.000 1.238 855 K HN -0.093 nan 8.250 nan 0.000 0.428 856 R N 1.100 121.727 120.500 0.212 0.000 2.523 856 R HA 0.119 4.341 4.340 -0.196 0.000 0.281 856 R C 0.097 176.611 176.300 0.357 0.000 0.969 856 R CA 1.407 57.631 56.100 0.206 0.000 1.093 856 R CB -0.025 30.283 30.300 0.013 0.000 0.917 856 R HN 0.888 nan 8.270 nan 0.000 0.408 857 G N 1.403 110.459 108.800 0.426 0.000 2.339 857 G HA2 0.140 3.983 3.960 -0.196 0.000 0.275 857 G HA3 0.140 3.983 3.960 -0.196 0.000 0.275 857 G C -1.755 173.221 174.900 0.127 0.000 1.323 857 G CA -0.448 44.772 45.100 0.199 0.000 0.927 857 G HN 0.564 nan 8.290 nan 0.000 0.486 858 V N 0.383 120.160 119.914 -0.228 0.000 2.588 858 V HA 0.775 4.778 4.120 -0.196 0.000 0.304 858 V C -1.277 174.762 176.094 -0.092 0.000 1.042 858 V CA -0.701 61.569 62.300 -0.050 0.000 0.877 858 V CB 1.395 33.136 31.823 -0.136 0.000 0.996 858 V HN 0.730 nan 8.190 nan 0.000 0.425 859 Y N 1.028 121.414 120.300 0.144 0.000 2.477 859 Y HA 0.732 5.165 4.550 -0.195 0.000 0.347 859 Y C 0.236 176.248 175.900 0.187 0.000 0.981 859 Y CA -0.936 57.282 58.100 0.198 0.000 1.033 859 Y CB 2.615 41.236 38.460 0.269 0.000 1.245 859 Y HN 0.537 nan 8.280 nan 0.000 0.455 860 T N 4.364 119.105 114.554 0.311 0.000 2.881 860 T HA 0.698 4.930 4.350 -0.196 0.000 0.291 860 T C -0.757 174.088 174.700 0.242 0.000 0.990 860 T CA -0.456 61.809 62.100 0.276 0.000 0.976 860 T CB 0.699 69.673 68.868 0.176 0.000 0.970 860 T HN 0.404 nan 8.240 nan 0.000 0.438 861 I N 2.412 123.168 120.570 0.309 0.000 2.582 861 I HA 0.569 4.621 4.170 -0.196 0.000 0.292 861 I C -0.148 176.212 176.117 0.405 0.000 1.066 861 I CA -0.935 60.508 61.300 0.238 0.000 1.053 861 I CB 2.392 40.441 38.000 0.082 0.000 1.241 861 I HN 0.312 nan 8.210 nan 0.000 0.421 862 R N 5.402 126.076 120.500 0.289 0.000 2.599 862 R HA 0.473 4.696 4.340 -0.196 0.000 0.295 862 R C -1.160 175.307 176.300 0.278 0.000 0.963 862 R CA -0.810 55.472 56.100 0.303 0.000 0.883 862 R CB 1.975 32.364 30.300 0.148 0.000 1.171 862 R HN 0.565 nan 8.270 nan 0.000 0.450 863 K N 3.072 123.666 120.400 0.323 0.000 2.213 863 K HA 0.187 4.389 4.320 -0.196 0.000 0.270 863 K C -1.132 175.460 176.600 -0.014 0.000 1.002 863 K CA -0.292 56.005 56.287 0.017 0.000 0.868 863 K CB 1.202 33.801 32.500 0.165 0.000 1.093 863 K HN 0.584 nan 8.250 nan 0.000 0.454 864 E N 3.152 123.294 120.200 -0.097 0.000 2.207 864 E HA 0.235 4.468 4.350 -0.196 0.000 0.250 864 E C 0.224 176.784 176.600 -0.066 0.000 0.890 864 E CA -0.281 56.090 56.400 -0.048 0.000 0.749 864 E CB 1.455 31.138 29.700 -0.029 0.000 1.193 864 E HN 0.982 nan 8.360 nan 0.000 0.423 865 G N 3.841 112.616 108.800 -0.042 0.000 2.602 865 G HA2 -0.386 3.457 3.960 -0.196 0.000 0.310 865 G HA3 -0.386 3.457 3.960 -0.196 0.000 0.310 865 G C 0.594 175.454 174.900 -0.066 0.000 1.183 865 G CA 0.524 45.605 45.100 -0.033 0.000 0.979 865 G HN 0.599 nan 8.290 nan 0.000 0.545 866 D N 1.577 121.945 120.400 -0.052 0.000 2.360 866 D HA 0.194 4.717 4.640 -0.196 0.000 0.210 866 D C 0.873 177.126 176.300 -0.077 0.000 1.047 866 D CA 0.381 54.358 54.000 -0.039 0.000 0.854 866 D CB 0.383 41.195 40.800 0.020 0.000 0.936 866 D HN 0.346 nan 8.370 nan 0.000 0.514 867 E N 0.034 120.159 120.200 -0.125 0.000 2.222 867 E HA 0.260 4.492 4.350 -0.196 0.000 0.272 867 E C -1.026 175.413 176.600 -0.267 0.000 0.982 867 E CA -0.547 55.803 56.400 -0.084 0.000 0.842 867 E CB 1.386 31.076 29.700 -0.017 0.000 1.144 867 E HN -0.017 nan 8.360 nan 0.000 0.397 868 Y N 0.956 121.250 120.300 -0.010 0.000 2.364 868 Y HA 0.307 4.740 4.550 -0.196 0.000 0.340 868 Y C 0.505 176.288 175.900 -0.195 0.000 0.975 868 Y CA -0.651 57.377 58.100 -0.120 0.000 1.089 868 Y CB 1.496 39.786 38.460 -0.283 0.000 1.192 868 Y HN 0.004 nan 8.280 nan 0.000 0.454 869 K N 4.775 125.165 120.400 -0.016 0.000 2.183 869 K HA 0.599 4.801 4.320 -0.196 0.000 0.274 869 K C -1.107 175.432 176.600 -0.101 0.000 1.009 869 K CA -0.479 55.777 56.287 -0.051 0.000 0.888 869 K CB 1.642 34.140 32.500 -0.003 0.000 1.078 869 K HN 0.599 nan 8.250 nan 0.000 0.459 870 I N 1.543 122.029 120.570 -0.141 0.000 2.465 870 I HA 0.364 4.416 4.170 -0.196 0.000 0.291 870 I C -0.609 175.497 176.117 -0.019 0.000 1.014 870 I CA -0.790 60.420 61.300 -0.150 0.000 1.093 870 I CB 2.122 39.937 38.000 -0.308 0.000 1.267 870 I HN 0.555 nan 8.210 nan 0.000 0.431 871 A N 5.852 128.701 122.820 0.049 0.000 2.363 871 A HA 0.600 4.803 4.320 -0.196 0.000 0.296 871 A C -1.560 176.079 177.584 0.092 0.000 1.237 871 A CA -0.383 51.691 52.037 0.061 0.000 0.773 871 A CB 0.537 19.560 19.000 0.039 0.000 1.153 871 A HN 0.645 nan 8.150 nan 0.000 0.473 872 Y N 2.573 122.831 120.300 -0.070 0.000 2.393 872 Y HA 0.678 5.110 4.550 -0.195 0.000 0.341 872 Y C -1.700 174.167 175.900 -0.056 0.000 0.988 872 Y CA -1.243 56.731 58.100 -0.210 0.000 1.078 872 Y CB 1.491 39.761 38.460 -0.315 0.000 1.203 872 Y HN 0.632 nan 8.280 nan 0.000 0.453 873 Y N 5.763 125.390 120.300 -1.123 0.000 2.421 873 Y HA 0.357 4.790 4.550 -0.196 0.000 0.339 873 Y C -1.276 173.981 175.900 -1.073 0.000 0.996 873 Y CA -1.610 55.970 58.100 -0.867 0.000 1.046 873 Y CB 1.501 39.694 38.460 -0.444 0.000 1.226 873 Y HN 0.791 nan 8.280 nan 0.000 0.445 874 N N 7.684 125.726 118.700 -1.096 0.000 2.500 874 N HA 0.297 4.920 4.740 -0.196 0.000 0.236 874 N C -2.138 172.794 175.510 -0.964 0.000 1.022 874 N CA -1.934 50.688 53.050 -0.713 0.000 0.935 874 N CB 1.298 39.641 38.487 -0.240 0.000 1.147 874 N HN 0.333 nan 8.380 nan 0.000 0.512 875 P HA -0.094 nan 4.420 nan 0.000 0.221 875 P C 0.286 177.389 177.300 -0.328 0.000 1.150 875 P CA 1.111 63.789 63.100 -0.705 0.000 0.800 875 P CB 0.340 31.728 31.700 -0.519 0.000 0.787 876 E N -0.746 119.354 120.200 -0.166 0.000 2.076 876 E HA -0.077 4.156 4.350 -0.196 0.000 0.190 876 E C 1.709 178.271 176.600 -0.063 0.000 0.979 876 E CA 1.723 58.098 56.400 -0.041 0.000 0.807 876 E CB -0.464 29.263 29.700 0.044 0.000 0.761 876 E HN 0.333 nan 8.360 nan 0.000 0.454 877 T N -1.931 112.564 114.554 -0.099 0.000 3.100 877 T HA 0.011 4.243 4.350 -0.196 0.000 0.253 877 T C 0.482 175.136 174.700 -0.077 0.000 1.118 877 T CA -0.112 61.950 62.100 -0.063 0.000 1.058 877 T CB 0.082 68.928 68.868 -0.038 0.000 0.953 877 T HN 0.066 nan 8.240 nan 0.000 0.515 878 Q N 0.801 120.486 119.800 -0.191 0.000 2.463 878 Q HA -0.157 4.066 4.340 -0.196 0.000 0.299 878 Q C -0.806 175.219 176.000 0.042 0.000 1.353 878 Q CA 0.681 56.425 55.803 -0.098 0.000 0.828 878 Q CB -1.715 27.070 28.738 0.078 0.000 1.157 878 Q HN 0.752 nan 8.270 nan 0.000 0.436 879 E N -0.674 119.478 120.200 -0.080 0.000 2.383 879 E HA 0.534 4.766 4.350 -0.196 0.000 0.275 879 E C -0.638 176.004 176.600 0.069 0.000 0.918 879 E CA -0.386 56.049 56.400 0.058 0.000 0.764 879 E CB 2.148 31.875 29.700 0.046 0.000 1.252 879 E HN 0.123 nan 8.360 nan 0.000 0.449 880 S N 0.447 116.245 115.700 0.163 0.000 2.481 880 S HA 0.832 5.185 4.470 -0.196 0.000 0.267 880 S C -0.780 173.985 174.600 0.275 0.000 1.174 880 S CA 0.271 58.604 58.200 0.223 0.000 1.027 880 S CB 0.796 64.104 63.200 0.180 0.000 1.117 880 S HN 0.582 nan 8.310 nan 0.000 0.495 881 A N 0.698 123.677 122.820 0.264 0.000 2.605 881 A HA 0.673 4.875 4.320 -0.196 0.000 0.294 881 A C -3.102 174.511 177.584 0.048 0.000 1.062 881 A CA -1.267 50.838 52.037 0.112 0.000 0.682 881 A CB 0.243 19.243 19.000 -0.001 0.000 1.278 881 A HN 0.574 nan 8.150 nan 0.000 0.410 882 P HA 0.125 nan 4.420 nan 0.000 0.264 882 P C 0.009 177.310 177.300 0.001 0.000 1.183 882 P CA 0.150 63.259 63.100 0.016 0.000 0.763 882 P CB 0.519 32.227 31.700 0.013 0.000 0.807 883 D N 2.119 122.529 120.400 0.017 0.000 2.170 883 D HA -0.233 4.290 4.640 -0.196 0.000 0.193 883 D C 1.781 178.122 176.300 0.069 0.000 1.004 883 D CA 1.485 55.505 54.000 0.033 0.000 0.860 883 D CB -0.289 40.528 40.800 0.028 0.000 0.931 883 D HN 0.568 nan 8.370 nan 0.000 0.448 884 Q N 1.139 120.969 119.800 0.049 0.000 2.369 884 Q HA -0.126 4.097 4.340 -0.196 0.000 0.206 884 Q C 1.411 177.418 176.000 0.011 0.000 0.963 884 Q CA 1.033 56.863 55.803 0.044 0.000 0.894 884 Q CB -0.358 28.398 28.738 0.030 0.000 0.965 884 Q HN 0.393 nan 8.270 nan 0.000 0.475 885 E N 0.623 120.813 120.200 -0.016 0.000 2.208 885 E HA -0.071 4.161 4.350 -0.196 0.000 0.193 885 E C 1.809 178.364 176.600 -0.074 0.000 0.988 885 E CA 1.405 57.775 56.400 -0.050 0.000 0.828 885 E CB 0.420 30.076 29.700 -0.074 0.000 0.763 885 E HN 0.429 nan 8.360 nan 0.000 0.478 886 V N -2.963 116.914 119.914 -0.062 0.000 3.548 886 V HA 0.317 4.320 4.120 -0.196 0.000 0.279 886 V C -0.138 176.067 176.094 0.185 0.000 1.446 886 V CA -0.460 61.821 62.300 -0.031 0.000 1.023 886 V CB 0.235 31.835 31.823 -0.372 0.000 0.820 886 V HN 0.040 nan 8.190 nan 0.000 0.438 887 F N 1.486 121.417 119.950 -0.033 0.000 2.581 887 F HA 0.757 5.166 4.527 -0.195 0.000 0.311 887 F C -0.767 174.983 175.800 -0.084 0.000 1.113 887 F CA -0.873 57.088 58.000 -0.065 0.000 0.935 887 F CB 1.925 40.869 39.000 -0.093 0.000 1.232 887 F HN -0.024 nan 8.300 nan 0.000 0.445 888 K N 5.218 125.150 120.400 -0.781 0.000 2.601 888 K HA 0.386 4.589 4.320 -0.196 0.000 0.249 888 K C -1.318 174.812 176.600 -0.784 0.000 0.966 888 K CA -0.813 55.139 56.287 -0.558 0.000 0.827 888 K CB 1.350 33.681 32.500 -0.282 0.000 1.178 888 K HN 0.631 nan 8.250 nan 0.000 0.437 889 K N 2.364 122.436 120.400 -0.547 0.000 2.401 889 K HA 0.165 4.368 4.320 -0.196 0.000 0.278 889 K C 0.699 177.188 176.600 -0.186 0.000 1.018 889 K CA -0.074 56.017 56.287 -0.327 0.000 0.981 889 K CB 0.422 32.924 32.500 0.002 0.000 0.933 889 K HN 0.455 nan 8.250 nan 0.000 0.477 890 L N 0.000 121.139 121.223 -0.141 0.000 2.949 890 L HA 0.000 4.223 4.340 -0.196 0.000 0.249 890 L CA 0.000 54.788 54.840 -0.087 0.000 0.813 890 L CB 0.000 42.001 42.059 -0.096 0.000 0.961 890 L HN 0.000 nan 8.230 nan 0.000 0.502