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 2brv_1_X DATA FIRST_RESID 170 DATA SEQUENCE VKDTYTDRLD DWNGIIAGNQ YYDSKNDQMA KLNQELEGKV ADSLSSIXXX DATA SEQUENCE XXXXXLWEKF SNYKTSANLT ATYRKLEEMA KQVTNPSSRY YQDETVVRTV DATA SEQUENCE RDSMEWMHKH VYNSEKSIVG NWWDYEIGTP 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 LE 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 0.000 176.103 176.094 0.015 0.000 1.182 170 V CA 0.000 62.304 62.300 0.007 0.000 1.235 170 V CB 0.000 31.824 31.823 0.001 0.000 1.184 171 K N 3.842 124.252 120.400 0.017 0.000 2.511 171 K HA 0.204 4.525 4.320 0.001 0.000 0.277 171 K C -0.351 176.271 176.600 0.036 0.000 1.025 171 K CA 1.422 57.724 56.287 0.025 0.000 1.112 171 K CB -0.043 32.469 32.500 0.019 0.000 0.859 171 K HN 1.016 nan 8.250 nan 0.000 0.485 172 D N 1.669 122.103 120.400 0.056 0.000 2.725 172 D HA 0.012 4.652 4.640 0.001 0.000 0.292 172 D C 0.200 176.566 176.300 0.111 0.000 1.288 172 D CA 0.031 54.082 54.000 0.085 0.000 0.784 172 D CB 0.360 41.216 40.800 0.093 0.000 1.308 172 D HN 0.475 nan 8.370 nan 0.000 0.429 173 T N -1.673 112.965 114.554 0.140 0.000 2.812 173 T HA -0.087 4.263 4.350 0.001 0.000 0.264 173 T C 1.925 176.681 174.700 0.094 0.000 1.042 173 T CA 1.062 63.215 62.100 0.087 0.000 1.140 173 T CB -0.944 67.943 68.868 0.031 0.000 0.870 173 T HN 0.482 nan 8.240 nan 0.000 0.445 174 Y N 2.833 123.138 120.300 0.007 0.000 2.181 174 Y HA -0.197 4.353 4.550 0.000 0.000 0.284 174 Y C 3.211 179.118 175.900 0.010 0.000 1.179 174 Y CA 1.652 59.754 58.100 0.003 0.000 1.179 174 Y CB -0.766 37.692 38.460 -0.003 0.000 0.973 174 Y HN 0.497 nan 8.280 nan 0.000 0.519 175 T N -3.995 110.666 114.554 0.179 0.000 3.014 175 T HA -0.096 4.254 4.350 0.001 0.000 0.263 175 T C 1.492 176.248 174.700 0.093 0.000 1.078 175 T CA 0.963 63.133 62.100 0.115 0.000 1.135 175 T CB -0.185 68.737 68.868 0.090 0.000 0.895 175 T HN 0.168 nan 8.240 nan 0.000 0.480 176 D N 0.957 121.405 120.400 0.080 0.000 2.350 176 D HA 0.011 4.651 4.640 0.001 0.000 0.216 176 D C 1.970 178.312 176.300 0.069 0.000 0.968 176 D CA 0.383 54.421 54.000 0.064 0.000 0.894 176 D CB 0.074 40.903 40.800 0.048 0.000 0.909 176 D HN 0.206 nan 8.370 nan 0.000 0.520 177 R N -0.366 120.176 120.500 0.070 0.000 2.237 177 R HA 0.181 4.521 4.340 0.001 0.000 0.195 177 R C 2.126 178.502 176.300 0.127 0.000 0.956 177 R CA -0.047 56.099 56.100 0.078 0.000 1.029 177 R CB -0.292 30.025 30.300 0.029 0.000 0.972 177 R HN 0.261 nan 8.270 nan 0.000 0.493 178 L N 0.749 122.048 121.223 0.127 0.000 2.395 178 L HA -0.074 4.266 4.340 0.001 0.000 0.218 178 L C 1.216 178.214 176.870 0.214 0.000 1.130 178 L CA 0.777 55.729 54.840 0.186 0.000 0.826 178 L CB -0.157 41.982 42.059 0.133 0.000 0.941 178 L HN -0.042 nan 8.230 nan 0.000 0.451 179 D N 0.072 120.561 120.400 0.148 0.000 2.144 179 D HA -0.157 4.483 4.640 0.001 0.000 0.200 179 D C 1.678 178.056 176.300 0.130 0.000 0.978 179 D CA 1.057 55.127 54.000 0.116 0.000 0.833 179 D CB -0.078 40.768 40.800 0.076 0.000 0.961 179 D HN 0.234 nan 8.370 nan 0.000 0.470 180 D N 0.016 120.511 120.400 0.157 0.000 2.084 180 D HA -0.149 4.492 4.640 0.001 0.000 0.194 180 D C 1.800 178.231 176.300 0.218 0.000 0.990 180 D CA 0.529 54.634 54.000 0.174 0.000 0.826 180 D CB -0.518 40.384 40.800 0.170 0.000 0.971 180 D HN 0.319 nan 8.370 nan 0.000 0.453 181 W N 1.870 123.204 121.300 0.057 0.000 2.301 181 W HA -0.294 4.366 4.660 -0.000 0.000 0.325 181 W C 1.668 178.224 176.519 0.061 0.000 1.250 181 W CA 1.352 58.728 57.345 0.051 0.000 1.261 181 W CB -0.316 29.166 29.460 0.037 0.000 1.157 181 W HN -0.043 nan 8.180 nan 0.000 0.473 182 N N 0.382 119.119 118.700 0.062 0.000 2.091 182 N HA -0.187 4.553 4.740 0.001 0.000 0.193 182 N C 1.851 177.319 175.510 -0.069 0.000 1.021 182 N CA 2.269 55.291 53.050 -0.046 0.000 0.862 182 N CB -1.392 37.136 38.487 0.068 0.000 1.018 182 N HN 0.357 nan 8.380 nan 0.000 0.429 183 G N 1.161 109.976 108.800 0.026 0.000 2.440 183 G HA2 -0.179 3.781 3.960 0.001 0.000 0.218 183 G HA3 -0.179 3.781 3.960 0.001 0.000 0.218 183 G C 1.700 176.667 174.900 0.112 0.000 1.154 183 G CA 0.529 45.720 45.100 0.152 0.000 0.767 183 G HN 0.306 nan 8.290 nan 0.000 0.552 184 I N 0.837 121.374 120.570 -0.055 0.000 2.315 184 I HA -0.093 4.078 4.170 0.001 0.000 0.248 184 I C 2.480 178.434 176.117 -0.272 0.000 1.117 184 I CA 1.146 62.349 61.300 -0.162 0.000 1.404 184 I CB -0.075 37.798 38.000 -0.212 0.000 1.071 184 I HN 0.376 nan 8.210 nan 0.000 0.419 185 I N -2.738 117.573 120.570 -0.431 0.000 3.783 185 I HA 0.341 4.512 4.170 0.001 0.000 0.310 185 I C 1.704 177.681 176.117 -0.234 0.000 1.274 185 I CA 0.783 61.829 61.300 -0.425 0.000 1.294 185 I CB 0.155 37.725 38.000 -0.717 0.000 1.051 185 I HN -0.033 nan 8.210 nan 0.000 0.435 186 A N 0.917 123.654 122.820 -0.139 0.000 1.935 186 A HA 0.632 4.952 4.320 0.001 0.000 0.202 186 A C 1.924 179.580 177.584 0.120 0.000 1.772 186 A CA 0.586 52.604 52.037 -0.031 0.000 1.013 186 A CB -0.502 18.500 19.000 0.003 0.000 1.077 186 A HN 0.882 nan 8.150 nan 0.000 0.565 187 G N 0.412 109.335 108.800 0.205 0.000 2.137 187 G HA2 -0.258 3.703 3.960 0.001 0.000 0.237 187 G HA3 -0.258 3.703 3.960 0.001 0.000 0.237 187 G C 0.546 175.715 174.900 0.449 0.000 1.002 187 G CA 0.596 45.957 45.100 0.435 0.000 0.702 187 G HN 0.398 nan 8.290 nan 0.000 0.515 188 N N -0.009 118.821 118.700 0.216 0.000 2.188 188 N HA -0.096 4.644 4.740 0.001 0.000 0.184 188 N C 2.286 177.750 175.510 -0.077 0.000 1.018 188 N CA 1.606 54.671 53.050 0.024 0.000 0.858 188 N CB -0.173 38.299 38.487 -0.025 0.000 0.989 188 N HN 0.733 nan 8.380 nan 0.000 0.426 189 Q N 0.078 119.768 119.800 -0.183 0.000 2.077 189 Q HA -0.165 4.175 4.340 0.001 0.000 0.206 189 Q C 0.265 176.060 176.000 -0.341 0.000 0.989 189 Q CA 1.469 57.045 55.803 -0.379 0.000 0.853 189 Q CB -0.271 28.017 28.738 -0.749 0.000 0.907 189 Q HN 0.561 nan 8.270 nan 0.000 0.418 190 Y N -0.692 119.626 120.300 0.030 0.000 2.880 190 Y HA 0.268 4.818 4.550 0.001 0.000 0.386 190 Y C -0.499 175.388 175.900 -0.022 0.000 1.172 190 Y CA -0.786 57.320 58.100 0.011 0.000 1.770 190 Y CB -0.447 38.029 38.460 0.028 0.000 1.809 190 Y HN 0.052 nan 8.280 nan 0.000 0.472 191 Y N 0.849 121.066 120.300 -0.139 0.000 2.528 191 Y HA 0.585 5.135 4.550 0.000 0.000 0.335 191 Y C -0.681 175.097 175.900 -0.202 0.000 1.093 191 Y CA -1.407 56.506 58.100 -0.311 0.000 1.134 191 Y CB 1.456 39.611 38.460 -0.509 0.000 1.253 191 Y HN 0.236 nan 8.280 nan 0.000 0.478 192 D N 1.946 121.703 120.400 -1.073 0.000 2.966 192 D HA 0.102 4.743 4.640 0.001 0.000 0.222 192 D C -0.612 175.182 176.300 -0.844 0.000 1.292 192 D CA -0.162 53.454 54.000 -0.639 0.000 0.907 192 D CB 2.610 43.183 40.800 -0.378 0.000 1.621 192 D HN 0.634 nan 8.370 nan 0.000 0.557 193 S N 2.010 117.505 115.700 -0.341 0.000 2.453 193 S HA -0.010 4.461 4.470 0.001 0.000 0.231 193 S C 1.108 175.624 174.600 -0.140 0.000 1.005 193 S CA 0.881 59.008 58.200 -0.122 0.000 0.949 193 S CB 0.214 63.435 63.200 0.036 0.000 0.774 193 S HN 0.379 nan 8.310 nan 0.000 0.510 194 K N 1.189 121.490 120.400 -0.166 0.000 2.514 194 K HA 0.194 4.515 4.320 0.001 0.000 0.207 194 K C -0.217 176.292 176.600 -0.151 0.000 1.035 194 K CA -0.198 56.014 56.287 -0.125 0.000 1.113 194 K CB 0.234 32.681 32.500 -0.088 0.000 0.846 194 K HN 0.038 nan 8.250 nan 0.000 0.491 195 N N 2.341 120.908 118.700 -0.222 0.000 2.482 195 N HA -0.039 4.701 4.740 0.001 0.000 0.242 195 N C 0.244 175.645 175.510 -0.181 0.000 1.100 195 N CA 0.347 53.271 53.050 -0.210 0.000 0.946 195 N CB 0.990 39.319 38.487 -0.263 0.000 1.227 195 N HN 0.063 nan 8.380 nan 0.000 0.508 196 D N 1.939 122.250 120.400 -0.149 0.000 2.170 196 D HA -0.218 4.423 4.640 0.001 0.000 0.193 196 D C 1.300 177.521 176.300 -0.131 0.000 1.004 196 D CA 1.643 55.567 54.000 -0.127 0.000 0.860 196 D CB 0.508 41.232 40.800 -0.127 0.000 0.931 196 D HN 0.533 nan 8.370 nan 0.000 0.448 197 Q N -1.033 118.656 119.800 -0.186 0.000 2.163 197 Q HA 0.032 4.373 4.340 0.001 0.000 0.198 197 Q C 2.388 178.353 176.000 -0.058 0.000 0.954 197 Q CA 0.540 56.225 55.803 -0.198 0.000 0.851 197 Q CB -0.153 28.325 28.738 -0.433 0.000 0.928 197 Q HN 0.488 nan 8.270 nan 0.000 0.459 198 M N -0.152 119.434 119.600 -0.023 0.000 2.149 198 M HA -0.131 4.350 4.480 0.001 0.000 0.261 198 M C 2.119 178.556 176.300 0.228 0.000 1.064 198 M CA 1.570 56.970 55.300 0.167 0.000 1.102 198 M CB -0.444 32.142 32.600 -0.022 0.000 1.369 198 M HN 0.065 nan 8.290 nan 0.000 0.408 199 A N -0.098 122.764 122.820 0.070 0.000 2.119 199 A HA -0.114 4.206 4.320 0.001 0.000 0.217 199 A C 2.171 179.807 177.584 0.087 0.000 1.153 199 A CA 1.267 53.366 52.037 0.103 0.000 0.692 199 A CB -0.490 18.521 19.000 0.019 0.000 0.799 199 A HN 0.435 nan 8.150 nan 0.000 0.458 200 K N -0.805 119.629 120.400 0.057 0.000 2.137 200 K HA 0.013 4.334 4.320 0.001 0.000 0.202 200 K C 1.710 178.347 176.600 0.062 0.000 1.052 200 K CA 0.871 57.181 56.287 0.039 0.000 0.961 200 K CB -0.144 32.359 32.500 0.005 0.000 0.741 200 K HN 0.371 nan 8.250 nan 0.000 0.452 201 L N 1.685 122.962 121.223 0.091 0.000 2.291 201 L HA -0.068 4.273 4.340 0.001 0.000 0.214 201 L C 1.575 178.518 176.870 0.120 0.000 1.120 201 L CA 1.431 56.314 54.840 0.073 0.000 0.799 201 L CB -0.579 41.490 42.059 0.016 0.000 0.925 201 L HN 0.236 nan 8.230 nan 0.000 0.446 202 N N -0.822 118.000 118.700 0.203 0.000 2.132 202 N HA -0.194 4.546 4.740 0.001 0.000 0.187 202 N C 1.743 177.309 175.510 0.094 0.000 1.038 202 N CA 1.242 54.402 53.050 0.184 0.000 0.846 202 N CB 0.066 38.686 38.487 0.222 0.000 1.012 202 N HN 0.431 nan 8.380 nan 0.000 0.429 203 Q N 1.052 120.897 119.800 0.074 0.000 2.182 203 Q HA -0.260 4.081 4.340 0.001 0.000 0.213 203 Q C 1.838 177.864 176.000 0.044 0.000 1.000 203 Q CA 2.171 58.000 55.803 0.044 0.000 0.889 203 Q CB -0.138 28.621 28.738 0.035 0.000 0.932 203 Q HN 0.449 nan 8.270 nan 0.000 0.415 204 E N 0.087 120.315 120.200 0.046 0.000 2.023 204 E HA -0.225 4.125 4.350 0.001 0.000 0.196 204 E C 1.841 178.468 176.600 0.045 0.000 1.003 204 E CA 1.337 57.760 56.400 0.037 0.000 0.809 204 E CB -0.179 29.537 29.700 0.025 0.000 0.755 204 E HN 0.348 nan 8.360 nan 0.000 0.449 205 L N 0.945 122.200 121.223 0.052 0.000 2.079 205 L HA -0.218 4.123 4.340 0.001 0.000 0.210 205 L C 2.618 179.556 176.870 0.113 0.000 1.081 205 L CA 1.239 56.118 54.840 0.066 0.000 0.752 205 L CB -0.537 41.563 42.059 0.069 0.000 0.896 205 L HN 0.231 nan 8.230 nan 0.000 0.433 206 E N 0.129 120.392 120.200 0.105 0.000 2.077 206 E HA -0.178 4.173 4.350 0.001 0.000 0.193 206 E C 2.202 178.907 176.600 0.175 0.000 0.989 206 E CA 1.519 57.998 56.400 0.131 0.000 0.800 206 E CB -0.350 29.355 29.700 0.008 0.000 0.746 206 E HN 0.576 nan 8.360 nan 0.000 0.452 207 G N 1.284 110.146 108.800 0.104 0.000 2.511 207 G HA2 -0.166 3.794 3.960 0.001 0.000 0.217 207 G HA3 -0.166 3.794 3.960 0.001 0.000 0.217 207 G C 1.551 176.502 174.900 0.085 0.000 1.133 207 G CA 0.161 45.316 45.100 0.091 0.000 0.792 207 G HN 0.117 nan 8.290 nan 0.000 0.539 208 K N 0.201 120.646 120.400 0.075 0.000 1.968 208 K HA -0.008 4.313 4.320 0.001 0.000 0.215 208 K C 2.501 179.133 176.600 0.053 0.000 1.040 208 K CA 1.132 57.447 56.287 0.045 0.000 0.959 208 K CB -0.861 31.653 32.500 0.022 0.000 0.740 208 K HN 0.053 nan 8.250 nan 0.000 0.443 209 V N 1.906 121.855 119.914 0.058 0.000 2.265 209 V HA -0.384 3.736 4.120 0.001 0.000 0.259 209 V C 2.441 178.546 176.094 0.018 0.000 1.084 209 V CA 2.373 64.675 62.300 0.004 0.000 1.076 209 V CB -0.989 30.804 31.823 -0.051 0.000 0.680 209 V HN 0.562 nan 8.190 nan 0.000 0.452 210 A N -1.185 121.705 122.820 0.117 0.000 1.978 210 A HA -0.275 4.046 4.320 0.001 0.000 0.220 210 A C 2.043 179.692 177.584 0.107 0.000 1.170 210 A CA 2.116 54.236 52.037 0.138 0.000 0.636 210 A CB -0.513 18.605 19.000 0.197 0.000 0.810 210 A HN 0.640 nan 8.150 nan 0.000 0.448 211 D N -0.439 120.019 120.400 0.096 0.000 2.213 211 D HA -0.047 4.593 4.640 0.001 0.000 0.205 211 D C 2.296 178.690 176.300 0.156 0.000 0.961 211 D CA 1.289 55.346 54.000 0.096 0.000 0.853 211 D CB 0.049 40.882 40.800 0.055 0.000 0.967 211 D HN 0.574 nan 8.370 nan 0.000 0.496 212 S N 1.854 117.645 115.700 0.152 0.000 2.354 212 S HA -0.093 4.377 4.470 0.001 0.000 0.200 212 S C 2.023 176.966 174.600 0.572 0.000 1.055 212 S CA -0.105 58.293 58.200 0.331 0.000 1.077 212 S CB -0.845 62.398 63.200 0.073 0.000 0.992 212 S HN 0.108 nan 8.310 nan 0.000 0.423 213 L N 2.311 123.735 121.223 0.335 0.000 2.272 213 L HA -0.235 4.106 4.340 0.001 0.000 0.233 213 L C 1.767 178.666 176.870 0.050 0.000 1.125 213 L CA 2.740 57.645 54.840 0.108 0.000 0.851 213 L CB -1.770 40.250 42.059 -0.065 0.000 0.933 213 L HN 0.733 nan 8.230 nan 0.000 0.452 214 S N -2.072 113.682 115.700 0.090 0.000 2.994 214 S HA 0.281 4.751 4.470 0.001 0.000 0.247 214 S C 0.741 175.382 174.600 0.068 0.000 1.323 214 S CA 0.211 58.442 58.200 0.052 0.000 1.246 214 S CB 0.003 63.239 63.200 0.061 0.000 0.994 214 S HN 0.604 nan 8.310 nan 0.000 0.484 215 S N -0.016 115.708 115.700 0.040 0.000 1.853 215 S HA 0.115 4.585 4.470 0.001 0.000 0.218 215 S C 0.358 174.771 174.600 -0.310 0.000 0.823 215 S CA -0.331 57.887 58.200 0.030 0.000 1.614 215 S CB -0.883 62.476 63.200 0.264 0.000 1.088 215 S HN 0.584 nan 8.310 nan 0.000 0.475 226 W N 2.306 123.596 121.300 -0.017 0.000 2.496 226 W HA 0.355 5.016 4.660 0.001 0.000 0.327 226 W C 1.065 177.563 176.519 -0.036 0.000 1.086 226 W CA -0.202 57.136 57.345 -0.011 0.000 1.222 226 W CB 1.708 31.208 29.460 0.067 0.000 1.304 226 W HN 0.110 nan 8.180 nan 0.000 0.547 227 E N 1.641 121.934 120.200 0.155 0.000 2.170 227 E HA -0.149 4.201 4.350 0.001 0.000 0.191 227 E C 1.930 178.495 176.600 -0.058 0.000 0.981 227 E CA 0.805 57.233 56.400 0.045 0.000 0.830 227 E CB 0.236 29.945 29.700 0.016 0.000 0.775 227 E HN 0.388 nan 8.360 nan 0.000 0.470 228 K N -0.242 120.069 120.400 -0.149 0.000 2.113 228 K HA -0.145 4.176 4.320 0.001 0.000 0.208 228 K C -0.030 176.063 176.600 -0.847 0.000 1.047 228 K CA 1.199 57.152 56.287 -0.557 0.000 0.928 228 K CB -0.008 32.013 32.500 -0.798 0.000 0.716 228 K HN 0.084 nan 8.250 nan 0.000 0.446 229 F N -0.004 119.931 119.950 -0.024 0.000 2.597 229 F HA 0.188 4.715 4.527 -0.000 0.000 0.336 229 F C 0.884 176.631 175.800 -0.089 0.000 1.432 229 F CA -0.839 57.111 58.000 -0.082 0.000 1.120 229 F CB 1.126 40.034 39.000 -0.154 0.000 1.253 229 F HN -0.032 nan 8.300 nan 0.000 0.546 230 S N -1.103 114.594 115.700 -0.005 0.000 2.384 230 S HA -0.040 4.430 4.470 0.001 0.000 0.217 230 S C 0.823 175.254 174.600 -0.280 0.000 1.041 230 S CA -0.100 58.041 58.200 -0.100 0.000 0.948 230 S CB -0.447 62.761 63.200 0.013 0.000 0.872 230 S HN 0.387 nan 8.310 nan 0.000 0.512 231 N N 1.241 119.891 118.700 -0.083 0.000 2.315 231 N HA -0.051 4.689 4.740 0.001 0.000 0.270 231 N C -0.109 175.376 175.510 -0.042 0.000 1.329 231 N CA 0.249 53.302 53.050 0.006 0.000 0.860 231 N CB -0.182 38.329 38.487 0.039 0.000 1.095 231 N HN 0.363 nan 8.380 nan 0.000 0.487 232 Y N 2.466 122.822 120.300 0.093 0.000 2.397 232 Y HA 0.107 4.657 4.550 -0.000 0.000 0.292 232 Y C 1.794 177.751 175.900 0.096 0.000 1.115 232 Y CA 0.495 58.652 58.100 0.096 0.000 1.208 232 Y CB 0.245 38.767 38.460 0.104 0.000 1.046 232 Y HN 0.454 nan 8.280 nan 0.000 0.552 233 K N 0.049 120.596 120.400 0.246 0.000 2.288 233 K HA 0.054 4.375 4.320 0.001 0.000 0.201 233 K C 0.273 176.958 176.600 0.142 0.000 1.048 233 K CA 0.560 56.959 56.287 0.186 0.000 0.956 233 K CB -0.800 31.788 32.500 0.147 0.000 0.746 233 K HN 0.112 nan 8.250 nan 0.000 0.461 234 T N 1.739 116.358 114.554 0.108 0.000 2.723 234 T HA 0.149 4.499 4.350 0.001 0.000 0.297 234 T C 0.976 175.711 174.700 0.058 0.000 0.925 234 T CA -0.111 62.034 62.100 0.074 0.000 1.030 234 T CB 1.157 70.053 68.868 0.047 0.000 0.905 234 T HN -0.008 nan 8.240 nan 0.000 0.502 235 S N 2.529 118.265 115.700 0.059 0.000 2.489 235 S HA 0.017 4.488 4.470 0.001 0.000 0.228 235 S C 2.429 176.985 174.600 -0.074 0.000 0.995 235 S CA 0.371 58.565 58.200 -0.010 0.000 0.934 235 S CB -0.128 63.092 63.200 0.034 0.000 0.771 235 S HN 0.852 nan 8.310 nan 0.000 0.522 236 A N 2.325 125.121 122.820 -0.039 0.000 2.076 236 A HA -0.154 4.167 4.320 0.001 0.000 0.220 236 A C 1.839 179.382 177.584 -0.069 0.000 1.160 236 A CA 1.272 53.276 52.037 -0.056 0.000 0.653 236 A CB -0.690 18.279 19.000 -0.051 0.000 0.801 236 A HN 0.595 nan 8.150 nan 0.000 0.455 237 N N -1.003 117.671 118.700 -0.043 0.000 2.309 237 N HA -0.090 4.651 4.740 0.001 0.000 0.182 237 N C 1.589 176.994 175.510 -0.175 0.000 1.018 237 N CA 0.884 53.917 53.050 -0.029 0.000 0.876 237 N CB -0.084 38.416 38.487 0.022 0.000 0.972 237 N HN 0.424 nan 8.380 nan 0.000 0.434 238 L N 0.892 122.001 121.223 -0.189 0.000 2.072 238 L HA -0.055 4.285 4.340 0.001 0.000 0.205 238 L C 2.180 178.893 176.870 -0.263 0.000 1.079 238 L CA 1.499 56.186 54.840 -0.254 0.000 0.752 238 L CB -0.760 41.129 42.059 -0.283 0.000 0.906 238 L HN 0.019 nan 8.230 nan 0.000 0.436 239 T N -0.050 114.383 114.554 -0.203 0.000 2.624 239 T HA -0.302 4.048 4.350 0.001 0.000 0.268 239 T C 1.868 176.420 174.700 -0.247 0.000 1.041 239 T CA 1.709 63.719 62.100 -0.150 0.000 1.159 239 T CB -0.629 68.200 68.868 -0.065 0.000 0.863 239 T HN 0.519 nan 8.240 nan 0.000 0.434 240 A N 1.036 123.606 122.820 -0.416 0.000 1.978 240 A HA -0.137 4.184 4.320 0.001 0.000 0.220 240 A C 2.526 179.591 177.584 -0.864 0.000 1.170 240 A CA 2.141 53.708 52.037 -0.784 0.000 0.636 240 A CB -1.203 16.959 19.000 -1.395 0.000 0.810 240 A HN 0.525 nan 8.150 nan 0.000 0.448 241 T N -1.115 113.061 114.554 -0.629 0.000 2.569 241 T HA -0.172 4.178 4.350 0.001 0.000 0.263 241 T C 1.707 176.235 174.700 -0.287 0.000 1.074 241 T CA 1.823 63.660 62.100 -0.437 0.000 1.176 241 T CB -0.519 68.170 68.868 -0.298 0.000 0.863 241 T HN 0.486 nan 8.240 nan 0.000 0.410 242 Y N 1.468 121.638 120.300 -0.216 0.000 2.497 242 Y HA 0.048 4.598 4.550 -0.000 0.000 0.292 242 Y C 2.571 178.368 175.900 -0.172 0.000 1.137 242 Y CA 0.268 58.271 58.100 -0.162 0.000 1.285 242 Y CB -0.239 38.113 38.460 -0.180 0.000 0.991 242 Y HN 0.050 nan 8.280 nan 0.000 0.556 243 R N -0.100 120.343 120.500 -0.095 0.000 2.161 243 R HA -0.011 4.330 4.340 0.001 0.000 0.213 243 R C 1.642 177.849 176.300 -0.155 0.000 1.055 243 R CA 0.722 56.746 56.100 -0.127 0.000 0.996 243 R CB 0.004 30.197 30.300 -0.179 0.000 0.901 243 R HN 0.331 nan 8.270 nan 0.000 0.456 244 K N 0.342 120.594 120.400 -0.247 0.000 2.400 244 K HA 0.120 4.440 4.320 0.001 0.000 0.194 244 K C 1.892 178.433 176.600 -0.098 0.000 1.033 244 K CA 0.268 56.415 56.287 -0.233 0.000 1.021 244 K CB 0.286 32.517 32.500 -0.449 0.000 0.808 244 K HN 0.099 nan 8.250 nan 0.000 0.505 245 L N 0.737 121.942 121.223 -0.030 0.000 2.270 245 L HA -0.047 4.293 4.340 0.001 0.000 0.210 245 L C 2.395 179.289 176.870 0.039 0.000 1.104 245 L CA 0.809 55.687 54.840 0.064 0.000 0.804 245 L CB -0.089 42.063 42.059 0.155 0.000 0.937 245 L HN 0.233 nan 8.230 nan 0.000 0.450 246 E N 0.471 120.678 120.200 0.011 0.000 2.152 246 E HA -0.201 4.149 4.350 0.001 0.000 0.192 246 E C 1.769 178.365 176.600 -0.008 0.000 0.983 246 E CA 0.831 57.231 56.400 -0.000 0.000 0.818 246 E CB 0.233 29.922 29.700 -0.017 0.000 0.758 246 E HN 0.501 nan 8.360 nan 0.000 0.467 247 E N 0.072 120.257 120.200 -0.025 0.000 2.150 247 E HA -0.179 4.171 4.350 0.001 0.000 0.193 247 E C 2.201 178.800 176.600 -0.002 0.000 0.985 247 E CA 1.105 57.493 56.400 -0.021 0.000 0.814 247 E CB -0.057 29.619 29.700 -0.040 0.000 0.752 247 E HN 0.439 nan 8.360 nan 0.000 0.466 248 M N 0.630 120.223 119.600 -0.011 0.000 2.064 248 M HA -0.032 4.449 4.480 0.001 0.000 0.260 248 M C 2.718 179.022 176.300 0.006 0.000 1.073 248 M CA 1.332 56.614 55.300 -0.029 0.000 1.124 248 M CB -0.793 31.772 32.600 -0.058 0.000 1.326 248 M HN 0.010 nan 8.290 nan 0.000 0.410 249 A N 1.393 124.224 122.820 0.020 0.000 1.954 249 A HA -0.270 4.050 4.320 0.001 0.000 0.222 249 A C 2.226 179.848 177.584 0.063 0.000 1.199 249 A CA 2.573 54.639 52.037 0.047 0.000 0.657 249 A CB -0.905 18.130 19.000 0.058 0.000 0.823 249 A HN 0.560 nan 8.150 nan 0.000 0.463 250 K N -1.410 119.020 120.400 0.050 0.000 1.985 250 K HA -0.156 4.164 4.320 0.001 0.000 0.210 250 K C 2.422 179.068 176.600 0.076 0.000 1.047 250 K CA 1.490 57.812 56.287 0.058 0.000 0.932 250 K CB -0.238 32.284 32.500 0.037 0.000 0.716 250 K HN 0.426 nan 8.250 nan 0.000 0.439 251 Q N 0.610 120.467 119.800 0.094 0.000 2.084 251 Q HA -0.107 4.233 4.340 0.001 0.000 0.202 251 Q C 2.329 178.428 176.000 0.165 0.000 0.978 251 Q CA 1.031 56.918 55.803 0.140 0.000 0.844 251 Q CB -0.551 28.352 28.738 0.276 0.000 0.898 251 Q HN 0.123 nan 8.270 nan 0.000 0.426 252 V N 0.815 120.808 119.914 0.130 0.000 2.252 252 V HA -0.219 3.901 4.120 0.001 0.000 0.249 252 V C 1.180 177.391 176.094 0.195 0.000 1.056 252 V CA 2.025 64.382 62.300 0.095 0.000 1.022 252 V CB -0.638 31.154 31.823 -0.051 0.000 0.641 252 V HN 0.289 nan 8.190 nan 0.000 0.445 253 T N 1.941 116.609 114.554 0.190 0.000 3.629 253 T HA 0.203 4.553 4.350 0.001 0.000 0.317 253 T C 0.106 174.874 174.700 0.114 0.000 1.690 253 T CA 0.117 62.366 62.100 0.249 0.000 1.276 253 T CB -0.915 68.091 68.868 0.230 0.000 1.205 253 T HN 0.539 nan 8.240 nan 0.000 0.824 254 N N 2.111 120.840 118.700 0.050 0.000 2.581 254 N HA 0.210 4.950 4.740 0.001 0.000 0.279 254 N C -2.470 172.690 175.510 -0.583 0.000 1.124 254 N CA -2.114 50.806 53.050 -0.217 0.000 0.833 254 N CB 1.938 40.315 38.487 -0.183 0.000 1.338 254 N HN -0.081 nan 8.380 nan 0.000 0.533 255 P HA -0.085 nan 4.420 nan 0.000 0.219 255 P C -0.179 176.648 177.300 -0.788 0.000 1.144 255 P CA 1.225 63.518 63.100 -1.345 0.000 0.806 255 P CB 0.253 31.572 31.700 -0.635 0.000 0.771 256 S N -1.368 114.015 115.700 -0.528 0.000 2.499 256 S HA 0.335 4.806 4.470 0.001 0.000 0.238 256 S C 0.131 174.569 174.600 -0.270 0.000 1.205 256 S CA -0.469 57.549 58.200 -0.303 0.000 1.203 256 S CB -0.057 63.056 63.200 -0.146 0.000 0.954 256 S HN 0.107 nan 8.310 nan 0.000 0.484 257 S N 0.611 116.184 115.700 -0.213 0.000 2.627 257 S HA 0.520 4.991 4.470 0.001 0.000 0.283 257 S C 0.980 175.516 174.600 -0.107 0.000 1.127 257 S CA -0.833 57.278 58.200 -0.149 0.000 0.863 257 S CB 1.204 64.326 63.200 -0.130 0.000 1.121 257 S HN 0.134 nan 8.310 nan 0.000 0.479 258 R N 0.642 120.994 120.500 -0.245 0.000 2.096 258 R HA -0.089 4.251 4.340 0.001 0.000 0.240 258 R C 0.622 176.763 176.300 -0.266 0.000 1.139 258 R CA 1.837 57.714 56.100 -0.372 0.000 0.952 258 R CB -1.017 28.817 30.300 -0.776 0.000 0.854 258 R HN 0.797 nan 8.270 nan 0.000 0.436 259 Y N -0.647 119.679 120.300 0.045 0.000 2.537 259 Y HA 0.079 4.630 4.550 0.001 0.000 0.303 259 Y C 0.104 176.053 175.900 0.082 0.000 1.176 259 Y CA -1.227 56.895 58.100 0.037 0.000 1.273 259 Y CB -0.977 37.492 38.460 0.014 0.000 1.110 259 Y HN -0.024 nan 8.280 nan 0.000 0.518 260 Y N 3.227 123.556 120.300 0.047 0.000 2.650 260 Y HA 0.065 4.616 4.550 0.001 0.000 0.342 260 Y C 0.649 176.578 175.900 0.049 0.000 1.110 260 Y CA -0.617 57.504 58.100 0.035 0.000 1.438 260 Y CB -0.420 38.039 38.460 -0.001 0.000 1.181 260 Y HN 0.487 nan 8.280 nan 0.000 0.526 261 Q N 2.866 122.594 119.800 -0.121 0.000 2.463 261 Q HA -0.321 4.020 4.340 0.001 0.000 0.299 261 Q C -0.691 175.246 176.000 -0.105 0.000 1.353 261 Q CA 1.012 56.709 55.803 -0.176 0.000 0.828 261 Q CB -1.358 27.154 28.738 -0.377 0.000 1.157 261 Q HN 0.754 nan 8.270 nan 0.000 0.436 262 D N 0.799 121.161 120.400 -0.062 0.000 2.304 262 D HA 0.055 4.695 4.640 0.001 0.000 0.250 262 D C 1.201 177.458 176.300 -0.071 0.000 1.107 262 D CA 0.349 54.336 54.000 -0.022 0.000 0.885 262 D CB 0.829 41.669 40.800 0.068 0.000 1.192 262 D HN 0.394 nan 8.370 nan 0.000 0.436 263 E N 1.111 121.284 120.200 -0.045 0.000 2.152 263 E HA -0.120 4.231 4.350 0.001 0.000 0.192 263 E C 1.207 177.767 176.600 -0.067 0.000 0.983 263 E CA 1.123 57.491 56.400 -0.053 0.000 0.818 263 E CB -0.006 29.674 29.700 -0.034 0.000 0.758 263 E HN 0.295 nan 8.360 nan 0.000 0.467 264 T N 0.234 114.752 114.554 -0.060 0.000 2.983 264 T HA 0.046 4.397 4.350 0.001 0.000 0.250 264 T C 1.994 176.633 174.700 -0.102 0.000 1.037 264 T CA 0.658 62.715 62.100 -0.073 0.000 1.142 264 T CB 0.009 68.844 68.868 -0.055 0.000 0.876 264 T HN 0.003 nan 8.240 nan 0.000 0.455 265 V N 1.628 121.472 119.914 -0.117 0.000 2.427 265 V HA -0.118 4.002 4.120 0.001 0.000 0.248 265 V C 2.612 178.612 176.094 -0.156 0.000 1.051 265 V CA 1.224 63.427 62.300 -0.163 0.000 1.048 265 V CB -0.669 31.021 31.823 -0.222 0.000 0.666 265 V HN 0.284 nan 8.190 nan 0.000 0.456 266 V N 0.199 120.002 119.914 -0.186 0.000 2.270 266 V HA -0.250 3.870 4.120 0.001 0.000 0.245 266 V C 2.574 178.569 176.094 -0.165 0.000 1.043 266 V CA 2.396 64.550 62.300 -0.244 0.000 1.014 266 V CB -0.756 30.849 31.823 -0.364 0.000 0.645 266 V HN 0.531 nan 8.190 nan 0.000 0.447 267 R N 0.025 120.446 120.500 -0.131 0.000 2.096 267 R HA -0.223 4.117 4.340 0.001 0.000 0.240 267 R C 2.310 178.557 176.300 -0.088 0.000 1.139 267 R CA 2.475 58.515 56.100 -0.100 0.000 0.952 267 R CB -0.788 29.463 30.300 -0.082 0.000 0.854 267 R HN 0.519 nan 8.270 nan 0.000 0.436 268 T N 0.496 114.992 114.554 -0.097 0.000 2.665 268 T HA -0.163 4.188 4.350 0.001 0.000 0.268 268 T C 1.838 176.507 174.700 -0.050 0.000 1.035 268 T CA 1.719 63.761 62.100 -0.096 0.000 1.151 268 T CB -0.293 68.509 68.868 -0.111 0.000 0.862 268 T HN 0.088 nan 8.240 nan 0.000 0.438 269 V N 1.527 121.423 119.914 -0.029 0.000 2.214 269 V HA -0.227 3.893 4.120 0.001 0.000 0.245 269 V C 2.736 178.876 176.094 0.076 0.000 1.047 269 V CA 1.758 64.085 62.300 0.044 0.000 0.998 269 V CB -0.551 31.309 31.823 0.062 0.000 0.633 269 V HN 0.381 nan 8.190 nan 0.000 0.446 270 R N -0.093 120.410 120.500 0.006 0.000 2.134 270 R HA -0.254 4.087 4.340 0.001 0.000 0.248 270 R C 1.990 178.332 176.300 0.071 0.000 1.143 270 R CA 2.369 58.460 56.100 -0.014 0.000 0.957 270 R CB -0.801 29.404 30.300 -0.157 0.000 0.867 270 R HN 0.590 nan 8.270 nan 0.000 0.441 271 D N -0.549 119.872 120.400 0.034 0.000 2.183 271 D HA -0.072 4.568 4.640 0.001 0.000 0.203 271 D C 1.427 177.793 176.300 0.110 0.000 0.969 271 D CA 1.460 55.492 54.000 0.055 0.000 0.842 271 D CB 0.044 40.830 40.800 -0.024 0.000 0.957 271 D HN 0.252 nan 8.370 nan 0.000 0.484 272 S N -1.156 114.592 115.700 0.080 0.000 2.575 272 S HA 0.228 4.698 4.470 0.001 0.000 0.237 272 S C 1.319 176.046 174.600 0.211 0.000 0.975 272 S CA -0.367 57.913 58.200 0.134 0.000 0.960 272 S CB 0.401 63.580 63.200 -0.035 0.000 0.822 272 S HN -0.014 nan 8.310 nan 0.000 0.472 273 M N 2.465 122.192 119.600 0.212 0.000 2.552 273 M HA 0.207 4.687 4.480 0.001 0.000 0.264 273 M C 1.922 178.430 176.300 0.347 0.000 1.159 273 M CA 1.398 56.825 55.300 0.213 0.000 1.176 273 M CB -0.008 32.631 32.600 0.065 0.000 1.327 273 M HN 0.485 nan 8.290 nan 0.000 0.481 274 E N -1.583 118.859 120.200 0.404 0.000 2.075 274 E HA -0.183 4.167 4.350 0.001 0.000 0.190 274 E C 2.012 178.856 176.600 0.407 0.000 0.969 274 E CA 0.717 57.452 56.400 0.558 0.000 0.815 274 E CB -1.162 28.811 29.700 0.454 0.000 0.776 274 E HN 0.606 nan 8.360 nan 0.000 0.457 275 W N 1.283 122.636 121.300 0.089 0.000 2.331 275 W HA -0.142 4.518 4.660 0.001 0.000 0.291 275 W C 2.079 178.484 176.519 -0.190 0.000 1.214 275 W CA 1.882 59.151 57.345 -0.127 0.000 1.228 275 W CB 0.056 29.436 29.460 -0.133 0.000 1.135 275 W HN 0.062 nan 8.180 nan 0.000 0.537 276 M N -0.845 118.911 119.600 0.261 0.000 2.081 276 M HA -0.247 4.233 4.480 0.001 0.000 0.261 276 M C 2.640 179.032 176.300 0.154 0.000 1.075 276 M CA 2.083 57.463 55.300 0.132 0.000 1.133 276 M CB -1.335 31.372 32.600 0.179 0.000 1.330 276 M HN 0.185 nan 8.290 nan 0.000 0.414 277 H N 0.852 120.095 119.070 0.288 0.000 2.292 277 H HA -0.261 4.295 4.556 0.001 0.000 0.292 277 H C 1.688 177.136 175.328 0.201 0.000 1.100 277 H CA 2.556 58.819 56.048 0.359 0.000 1.238 277 H CB -0.119 29.908 29.762 0.441 0.000 1.355 277 H HN 0.218 nan 8.280 nan 0.000 0.484 278 K N -0.628 119.717 120.400 -0.093 0.000 2.025 278 K HA -0.102 4.218 4.320 0.001 0.000 0.207 278 K C 2.383 178.982 176.600 -0.002 0.000 1.049 278 K CA 1.671 57.878 56.287 -0.133 0.000 0.933 278 K CB -0.222 32.346 32.500 0.114 0.000 0.714 278 K HN 0.422 nan 8.250 nan 0.000 0.438 279 H N -0.687 118.226 119.070 -0.262 0.000 2.260 279 H HA -0.045 4.511 4.556 0.000 0.000 0.304 279 H C 2.086 177.326 175.328 -0.146 0.000 1.059 279 H CA 1.707 57.582 56.048 -0.288 0.000 1.305 279 H CB -0.836 28.592 29.762 -0.558 0.000 1.388 279 H HN 0.102 nan 8.280 nan 0.000 0.496 280 V N -2.614 117.348 119.914 0.080 0.000 2.535 280 V HA -0.052 4.068 4.120 0.001 0.000 0.246 280 V C 1.213 177.499 176.094 0.320 0.000 1.045 280 V CA 1.346 63.760 62.300 0.190 0.000 1.058 280 V CB -0.579 31.393 31.823 0.248 0.000 0.689 280 V HN 0.370 nan 8.190 nan 0.000 0.461 281 Y N 2.752 123.122 120.300 0.116 0.000 2.696 281 Y HA 0.423 4.973 4.550 -0.000 0.000 0.255 281 Y C 0.534 176.516 175.900 0.137 0.000 1.103 281 Y CA -0.959 57.275 58.100 0.225 0.000 1.126 281 Y CB 0.154 38.803 38.460 0.315 0.000 1.197 281 Y HN 0.552 nan 8.280 nan 0.000 0.574 282 N N -1.623 117.041 118.700 -0.060 0.000 2.592 282 N HA 0.083 4.823 4.740 0.001 0.000 0.292 282 N C 1.075 176.495 175.510 -0.151 0.000 1.260 282 N CA 0.358 53.293 53.050 -0.193 0.000 0.910 282 N CB 1.296 39.525 38.487 -0.431 0.000 1.257 282 N HN 0.083 nan 8.380 nan 0.000 0.569 283 S N -0.158 115.442 115.700 -0.166 0.000 2.370 283 S HA -0.206 4.264 4.470 0.001 0.000 0.226 283 S C 0.095 174.617 174.600 -0.130 0.000 1.033 283 S CA 1.185 59.268 58.200 -0.195 0.000 1.011 283 S CB -0.739 62.362 63.200 -0.165 0.000 0.852 283 S HN 0.669 nan 8.310 nan 0.000 0.457 284 E N 2.114 122.262 120.200 -0.086 0.000 2.323 284 E HA 0.303 4.653 4.350 0.001 0.000 0.313 284 E C 0.079 176.664 176.600 -0.025 0.000 1.236 284 E CA 0.178 56.546 56.400 -0.054 0.000 1.333 284 E CB 0.054 29.725 29.700 -0.049 0.000 1.138 284 E HN 0.241 nan 8.360 nan 0.000 0.492 285 K N -0.045 120.351 120.400 -0.006 0.000 2.373 285 K HA 0.636 4.956 4.320 0.001 0.000 0.274 285 K C -0.808 175.825 176.600 0.057 0.000 1.024 285 K CA -0.848 55.468 56.287 0.048 0.000 0.867 285 K CB 2.073 34.643 32.500 0.117 0.000 1.524 285 K HN 0.119 nan 8.250 nan 0.000 0.406 286 S N -0.292 115.430 115.700 0.036 0.000 2.588 286 S HA 0.533 5.004 4.470 0.001 0.000 0.269 286 S C -1.403 172.978 174.600 -0.365 0.000 1.157 286 S CA -0.717 57.453 58.200 -0.050 0.000 0.824 286 S CB 0.782 63.965 63.200 -0.028 0.000 1.126 286 S HN 0.423 nan 8.310 nan 0.000 0.464 287 I N 3.369 123.654 120.570 -0.476 0.000 2.436 287 I HA 0.264 4.435 4.170 0.001 0.000 0.289 287 I C -0.027 175.955 176.117 -0.225 0.000 1.083 287 I CA -0.089 60.778 61.300 -0.723 0.000 1.372 287 I CB 0.544 38.316 38.000 -0.380 0.000 1.408 287 I HN 0.363 nan 8.210 nan 0.000 0.516 288 V N 3.774 123.653 119.914 -0.060 0.000 3.166 288 V HA 0.847 4.967 4.120 0.001 0.000 0.317 288 V C 0.998 177.242 176.094 0.250 0.000 1.136 288 V CA -0.045 62.330 62.300 0.124 0.000 1.035 288 V CB 0.791 32.700 31.823 0.144 0.000 1.110 288 V HN 0.959 nan 8.190 nan 0.000 0.450 289 G N 1.010 109.923 108.800 0.189 0.000 4.430 289 G HA2 -0.318 3.642 3.960 0.001 0.000 0.332 289 G HA3 -0.318 3.642 3.960 0.001 0.000 0.332 289 G C 0.256 175.270 174.900 0.191 0.000 1.338 289 G CA 0.965 46.170 45.100 0.176 0.000 1.024 289 G HN 1.041 nan 8.290 nan 0.000 0.750 290 N N 0.748 119.589 118.700 0.235 0.000 2.533 290 N HA 0.205 4.946 4.740 0.001 0.000 0.289 290 N C 1.261 176.922 175.510 0.251 0.000 1.103 290 N CA 0.113 53.274 53.050 0.185 0.000 0.877 290 N CB 0.514 39.007 38.487 0.010 0.000 1.419 290 N HN 0.618 nan 8.380 nan 0.000 0.517 291 W N 3.030 124.450 121.300 0.200 0.000 2.290 291 W HA -0.237 4.425 4.660 0.003 0.000 0.323 291 W C 1.325 177.933 176.519 0.149 0.000 1.260 291 W CA 0.770 58.204 57.345 0.148 0.000 1.266 291 W CB -1.397 28.110 29.460 0.077 0.000 1.149 291 W HN 0.688 nan 8.180 nan 0.000 0.482 292 W N 2.910 123.473 121.300 -1.229 0.000 2.296 292 W HA -0.261 4.398 4.660 -0.001 0.000 0.296 292 W C 2.098 178.311 176.519 -0.510 0.000 1.220 292 W CA 2.872 59.502 57.345 -1.191 0.000 1.223 292 W CB -0.290 28.387 29.460 -1.305 0.000 1.139 292 W HN -0.043 nan 8.180 nan 0.000 0.534 293 D N -1.236 119.130 120.400 -0.056 0.000 2.087 293 D HA -0.228 4.413 4.640 0.001 0.000 0.201 293 D C 1.831 178.061 176.300 -0.116 0.000 0.980 293 D CA 1.799 55.747 54.000 -0.087 0.000 0.849 293 D CB -1.307 39.410 40.800 -0.139 0.000 1.001 293 D HN 0.188 nan 8.370 nan 0.000 0.452 294 Y N 1.444 121.712 120.300 -0.053 0.000 2.348 294 Y HA -0.168 4.382 4.550 -0.000 0.000 0.285 294 Y C 2.390 178.230 175.900 -0.101 0.000 1.173 294 Y CA 1.147 59.185 58.100 -0.103 0.000 1.263 294 Y CB -0.086 37.980 38.460 -0.657 0.000 0.974 294 Y HN 0.119 nan 8.280 nan 0.000 0.547 295 E N -1.436 118.766 120.200 0.002 0.000 2.332 295 E HA 0.126 4.476 4.350 0.001 0.000 0.202 295 E C 1.330 177.861 176.600 -0.116 0.000 0.877 295 E CA 0.440 56.855 56.400 0.025 0.000 0.979 295 E CB 0.384 30.099 29.700 0.024 0.000 0.969 295 E HN 0.356 nan 8.360 nan 0.000 0.495 296 I N -1.057 119.227 120.570 -0.478 0.000 4.701 296 I HA 0.159 4.329 4.170 0.001 0.000 0.247 296 I C 2.254 177.951 176.117 -0.700 0.000 0.922 296 I CA 0.409 61.274 61.300 -0.726 0.000 2.200 296 I CB -0.785 36.331 38.000 -1.473 0.000 1.517 296 I HN 0.028 nan 8.210 nan 0.000 0.478 297 G N 0.899 108.990 108.800 -1.182 0.000 2.550 297 G HA2 -0.252 3.708 3.960 0.001 0.000 0.222 297 G HA3 -0.252 3.708 3.960 0.001 0.000 0.222 297 G C 1.472 176.241 174.900 -0.218 0.000 1.113 297 G CA 2.140 46.906 45.100 -0.556 0.000 0.748 297 G HN 0.394 nan 8.290 nan 0.000 0.585 298 T N 1.312 115.750 114.554 -0.193 0.000 2.781 298 T HA 0.030 4.381 4.350 0.001 0.000 0.252 298 T C 0.236 174.866 174.700 -0.115 0.000 1.039 298 T CA 1.105 63.144 62.100 -0.101 0.000 1.147 298 T CB -0.810 68.007 68.868 -0.086 0.000 0.865 298 T HN 0.189 nan 8.240 nan 0.000 0.423 299 P HA -0.143 nan 4.420 nan 0.000 0.216 299 P C 1.287 178.533 177.300 -0.090 0.000 1.154 299 P CA 1.397 64.478 63.100 -0.030 0.000 0.865 299 P CB -0.104 31.632 31.700 0.060 0.000 0.789 300 R N -0.276 120.173 120.500 -0.084 0.000 2.120 300 R HA -0.012 4.329 4.340 0.001 0.000 0.234 300 R C 2.230 178.510 176.300 -0.033 0.000 1.123 300 R CA 1.545 57.621 56.100 -0.039 0.000 0.975 300 R CB -1.488 28.802 30.300 -0.016 0.000 0.866 300 R HN 0.132 nan 8.270 nan 0.000 0.446 301 A N 1.237 124.005 122.820 -0.087 0.000 2.014 301 A HA 0.032 4.353 4.320 0.001 0.000 0.218 301 A C 2.085 179.556 177.584 -0.189 0.000 1.163 301 A CA 0.790 52.772 52.037 -0.092 0.000 0.652 301 A CB -0.327 18.636 19.000 -0.061 0.000 0.808 301 A HN 0.210 nan 8.150 nan 0.000 0.449 302 I N -0.415 119.947 120.570 -0.346 0.000 2.141 302 I HA -0.213 3.957 4.170 0.001 0.000 0.236 302 I C 2.121 178.109 176.117 -0.215 0.000 1.071 302 I CA 1.179 62.213 61.300 -0.442 0.000 1.345 302 I CB -0.731 36.957 38.000 -0.519 0.000 1.066 302 I HN 0.211 nan 8.210 nan 0.000 0.406 303 N N 1.508 120.128 118.700 -0.134 0.000 2.122 303 N HA -0.259 4.482 4.740 0.001 0.000 0.199 303 N C 1.490 177.016 175.510 0.027 0.000 1.007 303 N CA 1.916 54.931 53.050 -0.059 0.000 0.892 303 N CB -0.614 37.844 38.487 -0.048 0.000 1.050 303 N HN 0.337 nan 8.380 nan 0.000 0.468 304 N N -0.885 117.853 118.700 0.064 0.000 2.300 304 N HA 0.004 4.744 4.740 0.001 0.000 0.179 304 N C 1.586 177.135 175.510 0.065 0.000 1.016 304 N CA 0.893 54.028 53.050 0.143 0.000 0.876 304 N CB -0.592 37.964 38.487 0.115 0.000 0.979 304 N HN 0.244 nan 8.380 nan 0.000 0.432 305 T N 1.656 116.206 114.554 -0.008 0.000 2.588 305 T HA -0.013 4.338 4.350 0.001 0.000 0.261 305 T C 1.987 176.677 174.700 -0.017 0.000 1.069 305 T CA 0.896 62.988 62.100 -0.014 0.000 1.172 305 T CB -0.447 68.386 68.868 -0.059 0.000 0.863 305 T HN 0.112 nan 8.240 nan 0.000 0.408 306 L N 0.935 122.077 121.223 -0.134 0.000 2.187 306 L HA -0.099 4.242 4.340 0.001 0.000 0.213 306 L C 2.828 179.688 176.870 -0.017 0.000 1.100 306 L CA 0.852 55.570 54.840 -0.204 0.000 0.765 306 L CB -0.671 41.173 42.059 -0.358 0.000 0.904 306 L HN 0.271 nan 8.230 nan 0.000 0.437 307 S N 0.477 116.204 115.700 0.045 0.000 2.345 307 S HA -0.092 4.379 4.470 0.001 0.000 0.220 307 S C 1.928 176.614 174.600 0.143 0.000 1.031 307 S CA 1.094 59.369 58.200 0.124 0.000 0.996 307 S CB -0.171 63.174 63.200 0.242 0.000 0.882 307 S HN 0.334 nan 8.310 nan 0.000 0.445 308 L N 0.400 121.705 121.223 0.137 0.000 2.362 308 L HA 0.123 4.463 4.340 0.001 0.000 0.219 308 L C 1.070 178.054 176.870 0.190 0.000 1.134 308 L CA 0.776 55.699 54.840 0.139 0.000 0.807 308 L CB -0.252 41.873 42.059 0.110 0.000 0.927 308 L HN 0.354 nan 8.230 nan 0.000 0.447 309 M N -0.217 119.515 119.600 0.221 0.000 3.189 309 M HA 0.116 4.597 4.480 0.001 0.000 0.365 309 M C 0.900 177.411 176.300 0.352 0.000 1.447 309 M CA -0.046 55.472 55.300 0.364 0.000 0.739 309 M CB 0.717 33.584 32.600 0.445 0.000 1.411 309 M HN 0.037 nan 8.290 nan 0.000 0.494 310 K N 0.013 120.538 120.400 0.209 0.000 2.525 310 K HA -0.009 4.311 4.320 0.001 0.000 0.192 310 K C 0.540 177.226 176.600 0.142 0.000 1.029 310 K CA 1.026 57.417 56.287 0.174 0.000 1.029 310 K CB 0.213 32.776 32.500 0.105 0.000 0.814 310 K HN 0.518 nan 8.250 nan 0.000 0.503 311 E N 0.071 120.323 120.200 0.087 0.000 2.276 311 E HA -0.037 4.313 4.350 0.001 0.000 0.193 311 E C 0.298 176.787 176.600 -0.185 0.000 0.983 311 E CA 0.382 56.731 56.400 -0.085 0.000 0.861 311 E CB -0.030 29.546 29.700 -0.207 0.000 0.817 311 E HN 0.372 nan 8.360 nan 0.000 0.485 312 Y N -0.140 120.212 120.300 0.087 0.000 2.596 312 Y HA 0.263 4.814 4.550 0.001 0.000 0.316 312 Y C -0.425 175.372 175.900 -0.173 0.000 1.156 312 Y CA 0.000 58.081 58.100 -0.033 0.000 1.300 312 Y CB -0.064 38.370 38.460 -0.044 0.000 1.130 312 Y HN -0.132 nan 8.280 nan 0.000 0.518 313 F N -1.250 118.758 119.950 0.097 0.000 2.635 313 F HA 0.285 4.813 4.527 0.001 0.000 0.314 313 F C 0.175 176.004 175.800 0.049 0.000 1.119 313 F CA -1.518 56.528 58.000 0.077 0.000 1.000 313 F CB 1.222 40.265 39.000 0.071 0.000 1.278 313 F HN -0.186 nan 8.300 nan 0.000 0.446 314 S N 1.367 117.215 115.700 0.246 0.000 2.640 314 S HA 0.173 4.644 4.470 0.001 0.000 0.262 314 S C 0.766 175.454 174.600 0.147 0.000 1.232 314 S CA -0.191 58.097 58.200 0.147 0.000 0.988 314 S CB 0.733 63.996 63.200 0.104 0.000 1.034 314 S HN 0.649 nan 8.310 nan 0.000 0.569 315 D N 0.301 120.750 120.400 0.082 0.000 2.084 315 D HA -0.056 4.584 4.640 0.001 0.000 0.196 315 D C 1.792 178.124 176.300 0.053 0.000 0.985 315 D CA 1.039 55.069 54.000 0.051 0.000 0.826 315 D CB -0.291 40.517 40.800 0.014 0.000 0.978 315 D HN 0.658 nan 8.370 nan 0.000 0.456 316 E N 1.006 121.236 120.200 0.049 0.000 2.268 316 E HA -0.117 4.234 4.350 0.001 0.000 0.195 316 E C 1.774 178.413 176.600 0.065 0.000 0.995 316 E CA 0.407 56.827 56.400 0.033 0.000 0.836 316 E CB 0.195 29.905 29.700 0.016 0.000 0.763 316 E HN 0.428 nan 8.360 nan 0.000 0.491 317 E N 0.374 120.668 120.200 0.157 0.000 2.028 317 E HA -0.147 4.204 4.350 0.001 0.000 0.191 317 E C 2.300 179.090 176.600 0.316 0.000 0.988 317 E CA 0.842 57.431 56.400 0.314 0.000 0.799 317 E CB -0.178 29.840 29.700 0.531 0.000 0.755 317 E HN 0.302 nan 8.360 nan 0.000 0.447 318 I N 1.254 121.938 120.570 0.189 0.000 2.315 318 I HA -0.306 3.865 4.170 0.001 0.000 0.251 318 I C 2.516 178.668 176.117 0.057 0.000 1.125 318 I CA 1.230 62.568 61.300 0.063 0.000 1.392 318 I CB -0.241 37.767 38.000 0.013 0.000 1.065 318 I HN 0.083 nan 8.210 nan 0.000 0.424 319 K N 0.795 121.213 120.400 0.031 0.000 2.031 319 K HA -0.190 4.130 4.320 0.001 0.000 0.205 319 K C 2.225 178.786 176.600 -0.066 0.000 1.049 319 K CA 1.074 57.350 56.287 -0.018 0.000 0.939 319 K CB -0.059 32.423 32.500 -0.029 0.000 0.717 319 K HN 0.137 nan 8.250 nan 0.000 0.438 320 K N -0.038 120.271 120.400 -0.152 0.000 2.103 320 K HA -0.188 4.132 4.320 0.001 0.000 0.207 320 K C 1.653 177.952 176.600 -0.503 0.000 1.048 320 K CA 1.639 57.684 56.287 -0.404 0.000 0.930 320 K CB 0.010 32.099 32.500 -0.685 0.000 0.716 320 K HN 0.188 nan 8.250 nan 0.000 0.444 321 Y N -0.437 119.802 120.300 -0.101 0.000 2.476 321 Y HA -0.025 4.526 4.550 0.000 0.000 0.283 321 Y C 2.372 178.287 175.900 0.025 0.000 1.109 321 Y CA 1.107 59.192 58.100 -0.025 0.000 1.246 321 Y CB -0.039 38.383 38.460 -0.064 0.000 1.068 321 Y HN 0.145 nan 8.280 nan 0.000 0.552 322 T N -3.271 111.345 114.554 0.103 0.000 3.148 322 T HA -0.032 4.319 4.350 0.001 0.000 0.253 322 T C 1.050 175.767 174.700 0.029 0.000 1.134 322 T CA 0.702 62.836 62.100 0.055 0.000 1.051 322 T CB -0.193 68.682 68.868 0.011 0.000 0.959 322 T HN 0.056 nan 8.240 nan 0.000 0.525 323 D N 1.681 122.087 120.400 0.010 0.000 2.106 323 D HA -0.114 4.526 4.640 0.001 0.000 0.191 323 D C 2.230 178.501 176.300 -0.048 0.000 0.997 323 D CA 1.070 55.056 54.000 -0.024 0.000 0.834 323 D CB -0.835 39.947 40.800 -0.031 0.000 0.956 323 D HN 0.234 nan 8.370 nan 0.000 0.448 324 V N 0.709 120.610 119.914 -0.022 0.000 2.363 324 V HA -0.307 3.814 4.120 0.001 0.000 0.254 324 V C 2.182 178.217 176.094 -0.100 0.000 1.074 324 V CA 1.522 63.737 62.300 -0.140 0.000 1.069 324 V CB -0.442 31.343 31.823 -0.063 0.000 0.659 324 V HN 0.214 nan 8.190 nan 0.000 0.455 325 I N -0.196 120.407 120.570 0.054 0.000 2.069 325 I HA -0.305 3.865 4.170 0.001 0.000 0.237 325 I C 2.577 178.723 176.117 0.049 0.000 1.053 325 I CA 2.452 63.817 61.300 0.109 0.000 1.311 325 I CB -0.581 37.468 38.000 0.081 0.000 1.030 325 I HN 0.372 nan 8.210 nan 0.000 0.398 326 E N 0.467 120.660 120.200 -0.011 0.000 2.160 326 E HA -0.274 4.076 4.350 0.001 0.000 0.195 326 E C 2.153 178.711 176.600 -0.070 0.000 0.991 326 E CA 0.882 57.264 56.400 -0.031 0.000 0.810 326 E CB -0.074 29.599 29.700 -0.044 0.000 0.742 326 E HN 0.283 nan 8.360 nan 0.000 0.466 327 K N 0.370 120.664 120.400 -0.176 0.000 2.057 327 K HA -0.142 4.178 4.320 0.001 0.000 0.207 327 K C 1.524 177.980 176.600 -0.240 0.000 1.049 327 K CA 1.202 57.307 56.287 -0.302 0.000 0.931 327 K CB -0.008 32.156 32.500 -0.560 0.000 0.714 327 K HN 0.089 nan 8.250 nan 0.000 0.440 328 F N 0.082 120.045 119.950 0.022 0.000 2.619 328 F HA 0.060 4.588 4.527 0.002 0.000 0.293 328 F C 0.916 176.782 175.800 0.110 0.000 1.119 328 F CA 0.059 58.100 58.000 0.067 0.000 1.445 328 F CB 0.556 39.620 39.000 0.105 0.000 1.119 328 F HN -0.254 nan 8.300 nan 0.000 0.573 329 V N -0.038 120.018 119.914 0.237 0.000 2.546 329 V HA 0.253 4.373 4.120 0.001 0.000 0.260 329 V C -2.286 173.836 176.094 0.047 0.000 0.933 329 V CA -0.890 61.508 62.300 0.163 0.000 0.994 329 V CB 0.651 32.596 31.823 0.203 0.000 1.160 329 V HN -0.114 nan 8.190 nan 0.000 0.523 330 P HA 0.243 nan 4.420 nan 0.000 0.255 330 P C -0.226 177.045 177.300 -0.049 0.000 1.357 330 P CA 0.773 63.859 63.100 -0.022 0.000 0.839 330 P CB 0.236 31.919 31.700 -0.028 0.000 1.356 331 D N 0.208 120.569 120.400 -0.065 0.000 2.333 331 D HA 0.126 4.767 4.640 0.001 0.000 0.225 331 D C -2.426 173.794 176.300 -0.134 0.000 1.345 331 D CA -1.443 52.497 54.000 -0.101 0.000 0.971 331 D CB 1.093 41.815 40.800 -0.130 0.000 1.451 331 D HN -0.195 nan 8.370 nan 0.000 0.561 332 P HA 0.047 nan 4.420 nan 0.000 0.258 332 P C 0.338 177.556 177.300 -0.136 0.000 1.319 332 P CA 0.278 63.279 63.100 -0.165 0.000 0.785 332 P CB 0.466 32.096 31.700 -0.116 0.000 1.252 333 E N -0.775 119.370 120.200 -0.092 0.000 2.127 333 E HA -0.013 4.338 4.350 0.001 0.000 0.191 333 E C 0.266 176.952 176.600 0.142 0.000 0.964 333 E CA 0.913 57.331 56.400 0.031 0.000 0.832 333 E CB -0.055 29.665 29.700 0.033 0.000 0.790 333 E HN 0.459 nan 8.360 nan 0.000 0.465 334 H N -1.595 117.329 119.070 -0.243 0.000 2.771 334 H HA 0.496 5.055 4.556 0.004 0.000 0.344 334 H C -0.728 174.349 175.328 -0.420 0.000 1.260 334 H CA -0.675 55.193 56.048 -0.300 0.000 1.276 334 H CB 0.787 30.435 29.762 -0.189 0.000 1.881 334 H HN -0.130 nan 8.280 nan 0.000 0.615 335 F N -0.681 119.000 119.950 -0.449 0.000 2.706 335 F HA 0.388 4.914 4.527 -0.001 0.000 0.328 335 F C 0.553 176.132 175.800 -0.368 0.000 1.123 335 F CA -1.062 56.693 58.000 -0.409 0.000 0.978 335 F CB 1.067 39.740 39.000 -0.546 0.000 1.404 335 F HN 0.439 nan 8.300 nan 0.000 0.497 336 R N 0.932 121.504 120.500 0.120 0.000 3.516 336 R HA -0.254 4.086 4.340 0.001 0.000 0.271 336 R C 1.204 177.533 176.300 0.049 0.000 1.098 336 R CA 0.873 56.961 56.100 -0.020 0.000 0.732 336 R CB -0.725 29.425 30.300 -0.249 0.000 1.152 336 R HN 0.663 nan 8.270 nan 0.000 0.455 337 K N 0.049 120.522 120.400 0.122 0.000 1.984 337 K HA -0.102 4.218 4.320 0.001 0.000 0.209 337 K C 2.008 178.657 176.600 0.082 0.000 1.046 337 K CA 2.246 58.592 56.287 0.097 0.000 0.934 337 K CB -0.250 32.311 32.500 0.101 0.000 0.717 337 K HN 0.413 nan 8.250 nan 0.000 0.438 338 T N -1.243 113.379 114.554 0.114 0.000 2.929 338 T HA -0.093 4.258 4.350 0.001 0.000 0.271 338 T C 1.101 175.837 174.700 0.060 0.000 1.085 338 T CA 1.061 63.216 62.100 0.092 0.000 1.125 338 T CB -1.106 67.849 68.868 0.145 0.000 0.874 338 T HN 0.454 nan 8.240 nan 0.000 0.494 339 T N 0.322 114.907 114.554 0.051 0.000 2.732 339 T HA 0.259 4.609 4.350 0.001 0.000 0.287 339 T C -0.007 174.704 174.700 0.018 0.000 0.993 339 T CA -0.512 61.601 62.100 0.022 0.000 0.966 339 T CB 0.599 69.468 68.868 0.001 0.000 1.047 339 T HN 0.141 nan 8.240 nan 0.000 0.527 340 D N 0.681 121.086 120.400 0.008 0.000 2.643 340 D HA 0.194 4.835 4.640 0.001 0.000 0.244 340 D C -0.158 176.148 176.300 0.010 0.000 1.257 340 D CA -0.249 53.758 54.000 0.012 0.000 0.831 340 D CB -0.510 40.296 40.800 0.010 0.000 1.043 340 D HN 0.771 nan 8.370 nan 0.000 0.488 341 N N -1.231 117.474 118.700 0.009 0.000 2.570 341 N HA 0.120 4.861 4.740 0.001 0.000 0.261 341 N C -2.491 173.041 175.510 0.036 0.000 1.540 341 N CA -0.731 52.329 53.050 0.017 0.000 0.959 341 N CB 0.388 38.876 38.487 0.002 0.000 1.449 341 N HN -0.247 nan 8.380 nan 0.000 0.519 342 P HA -0.103 nan 4.420 nan 0.000 0.229 342 P C -0.220 177.181 177.300 0.168 0.000 1.054 342 P CA 1.221 64.358 63.100 0.062 0.000 1.010 342 P CB 0.037 31.791 31.700 0.090 0.000 0.624 343 F N -6.532 113.352 119.950 -0.111 0.000 2.810 343 F HA 0.289 4.822 4.527 0.010 0.000 0.334 343 F C -1.818 173.816 175.800 -0.277 0.000 1.106 343 F CA -1.318 56.579 58.000 -0.172 0.000 0.849 343 F CB 0.154 39.088 39.000 -0.110 0.000 2.282 343 F HN -0.060 nan 8.300 nan 0.000 0.423 344 K N 2.308 122.594 120.400 -0.190 0.000 2.211 344 K HA 0.731 5.051 4.320 0.001 0.000 0.275 344 K C -0.255 176.314 176.600 -0.052 0.000 1.024 344 K CA -0.198 55.897 56.287 -0.321 0.000 0.887 344 K CB 1.642 34.029 32.500 -0.189 0.000 1.084 344 K HN 0.996 nan 8.250 nan 0.000 0.463 345 A N 5.779 128.499 122.820 -0.167 0.000 2.526 345 A HA 0.205 4.525 4.320 0.001 0.000 0.267 345 A C -0.416 177.253 177.584 0.142 0.000 1.095 345 A CA 0.340 52.413 52.037 0.060 0.000 0.775 345 A CB -0.357 18.560 19.000 -0.138 0.000 1.036 345 A HN 0.672 nan 8.150 nan 0.000 0.510 346 L N 2.544 123.927 121.223 0.267 0.000 2.445 346 L HA 0.680 5.021 4.340 0.001 0.000 0.262 346 L C 0.826 177.816 176.870 0.200 0.000 0.974 346 L CA 0.033 54.984 54.840 0.185 0.000 0.822 346 L CB 2.149 44.303 42.059 0.157 0.000 1.339 346 L HN 1.247 nan 8.230 nan 0.000 0.409 347 G N 1.673 110.557 108.800 0.139 0.000 2.512 347 G HA2 -0.240 3.720 3.960 0.001 0.000 0.254 347 G HA3 -0.240 3.720 3.960 0.001 0.000 0.254 347 G C 0.714 175.709 174.900 0.158 0.000 1.199 347 G CA 0.147 45.348 45.100 0.168 0.000 0.941 347 G HN 1.037 nan 8.290 nan 0.000 0.569 348 G N -0.110 108.804 108.800 0.190 0.000 2.598 348 G HA2 -0.004 3.956 3.960 0.001 0.000 0.215 348 G HA3 -0.004 3.956 3.960 0.001 0.000 0.215 348 G C 1.375 176.314 174.900 0.066 0.000 1.131 348 G CA 1.519 46.650 45.100 0.052 0.000 0.785 348 G HN 0.753 nan 8.290 nan 0.000 0.539 349 N N -0.478 118.332 118.700 0.184 0.000 2.270 349 N HA -0.035 4.706 4.740 0.001 0.000 0.181 349 N C 1.931 177.630 175.510 0.315 0.000 1.016 349 N CA 0.265 53.492 53.050 0.295 0.000 0.870 349 N CB -0.075 38.712 38.487 0.500 0.000 0.979 349 N HN 0.209 nan 8.380 nan 0.000 0.431 350 L N 0.228 121.576 121.223 0.209 0.000 2.275 350 L HA 0.006 4.346 4.340 0.001 0.000 0.215 350 L C 1.769 178.676 176.870 0.062 0.000 1.119 350 L CA 0.976 55.878 54.840 0.104 0.000 0.790 350 L CB -0.357 41.744 42.059 0.070 0.000 0.919 350 L HN 0.025 nan 8.230 nan 0.000 0.443 351 V N -0.589 119.367 119.914 0.070 0.000 2.427 351 V HA -0.238 3.882 4.120 0.001 0.000 0.248 351 V C 1.907 178.038 176.094 0.061 0.000 1.051 351 V CA 2.014 64.343 62.300 0.049 0.000 1.048 351 V CB -0.410 31.433 31.823 0.034 0.000 0.666 351 V HN 0.484 nan 8.190 nan 0.000 0.456 352 D N -1.128 119.332 120.400 0.101 0.000 2.349 352 D HA -0.041 4.600 4.640 0.001 0.000 0.224 352 D C 1.804 178.183 176.300 0.133 0.000 1.029 352 D CA 0.352 54.415 54.000 0.104 0.000 0.879 352 D CB 0.526 41.376 40.800 0.082 0.000 0.906 352 D HN 0.345 nan 8.370 nan 0.000 0.528 353 M N 0.293 119.925 119.600 0.054 0.000 2.254 353 M HA 0.031 4.512 4.480 0.001 0.000 0.265 353 M C 1.822 178.083 176.300 -0.064 0.000 1.066 353 M CA 0.922 56.159 55.300 -0.105 0.000 1.123 353 M CB -0.624 31.835 32.600 -0.236 0.000 1.388 353 M HN -0.037 nan 8.290 nan 0.000 0.425 354 G N 1.075 109.857 108.800 -0.031 0.000 2.701 354 G HA2 -0.273 3.687 3.960 0.001 0.000 0.215 354 G HA3 -0.273 3.687 3.960 0.001 0.000 0.215 354 G C 1.450 176.291 174.900 -0.098 0.000 1.297 354 G CA 1.353 46.427 45.100 -0.042 0.000 0.807 354 G HN 0.506 nan 8.290 nan 0.000 0.608 355 R N 0.326 120.778 120.500 -0.081 0.000 2.091 355 R HA -0.047 4.293 4.340 0.001 0.000 0.238 355 R C 2.438 178.645 176.300 -0.155 0.000 1.136 355 R CA 1.543 57.541 56.100 -0.169 0.000 0.959 355 R CB -1.543 28.761 30.300 0.007 0.000 0.856 355 R HN 0.332 nan 8.270 nan 0.000 0.437 356 V N 1.490 121.365 119.914 -0.066 0.000 2.626 356 V HA -0.128 3.993 4.120 0.001 0.000 0.252 356 V C 2.178 178.243 176.094 -0.050 0.000 1.067 356 V CA 1.737 64.016 62.300 -0.035 0.000 1.081 356 V CB -0.317 31.533 31.823 0.044 0.000 0.686 356 V HN 0.352 nan 8.190 nan 0.000 0.468 357 K N -1.240 119.114 120.400 -0.076 0.000 2.380 357 K HA 0.150 4.470 4.320 0.001 0.000 0.200 357 K C 1.999 178.539 176.600 -0.101 0.000 1.201 357 K CA 0.495 56.738 56.287 -0.074 0.000 0.916 357 K CB 0.164 32.623 32.500 -0.069 0.000 1.187 357 K HN 0.248 nan 8.250 nan 0.000 0.498 358 V N 2.350 122.184 119.914 -0.133 0.000 2.219 358 V HA -0.294 3.826 4.120 0.001 0.000 0.248 358 V C 2.298 178.264 176.094 -0.214 0.000 1.053 358 V CA 1.919 64.122 62.300 -0.161 0.000 1.009 358 V CB -0.401 31.304 31.823 -0.196 0.000 0.636 358 V HN 0.128 nan 8.190 nan 0.000 0.445 359 I N 0.569 120.930 120.570 -0.348 0.000 2.226 359 I HA -0.192 3.978 4.170 0.001 0.000 0.245 359 I C 2.525 178.520 176.117 -0.204 0.000 1.100 359 I CA 1.728 62.784 61.300 -0.407 0.000 1.374 359 I CB -1.021 36.573 38.000 -0.677 0.000 1.057 359 I HN 0.233 nan 8.210 nan 0.000 0.413 360 A N 0.210 122.940 122.820 -0.149 0.000 1.972 360 A HA -0.092 4.229 4.320 0.001 0.000 0.219 360 A C 2.442 179.994 177.584 -0.054 0.000 1.169 360 A CA 1.855 53.843 52.037 -0.081 0.000 0.635 360 A CB -1.428 17.540 19.000 -0.053 0.000 0.810 360 A HN 0.454 nan 8.150 nan 0.000 0.446 361 G N -0.049 108.720 108.800 -0.051 0.000 2.454 361 G HA2 -0.108 3.852 3.960 0.001 0.000 0.214 361 G HA3 -0.108 3.852 3.960 0.001 0.000 0.214 361 G C 1.484 176.402 174.900 0.030 0.000 1.217 361 G CA 0.848 45.942 45.100 -0.011 0.000 0.799 361 G HN 0.409 nan 8.290 nan 0.000 0.538 362 L N 0.160 121.405 121.223 0.037 0.000 2.113 362 L HA -0.242 4.098 4.340 0.001 0.000 0.221 362 L C 2.953 179.870 176.870 0.078 0.000 1.084 362 L CA 0.979 55.881 54.840 0.102 0.000 0.787 362 L CB -0.570 41.496 42.059 0.011 0.000 0.893 362 L HN 0.208 nan 8.230 nan 0.000 0.440 363 L N -0.667 120.560 121.223 0.007 0.000 1.994 363 L HA -0.183 4.157 4.340 0.001 0.000 0.208 363 L C 2.435 179.292 176.870 -0.020 0.000 1.071 363 L CA 1.396 56.232 54.840 -0.006 0.000 0.745 363 L CB -0.376 41.665 42.059 -0.030 0.000 0.892 363 L HN 0.224 nan 8.230 nan 0.000 0.431 364 R N 0.377 120.861 120.500 -0.028 0.000 2.325 364 R HA 0.009 4.349 4.340 0.001 0.000 0.214 364 R C 0.073 176.317 176.300 -0.094 0.000 0.961 364 R CA -0.127 55.943 56.100 -0.050 0.000 1.086 364 R CB -0.136 30.142 30.300 -0.037 0.000 1.037 364 R HN 0.134 nan 8.270 nan 0.000 0.493 365 K N 1.581 121.912 120.400 -0.115 0.000 3.333 365 K HA -0.217 4.104 4.320 0.001 0.000 0.267 365 K C -0.314 176.200 176.600 -0.142 0.000 0.863 365 K CA 1.008 57.115 56.287 -0.299 0.000 0.646 365 K CB -1.007 30.949 32.500 -0.906 0.000 1.499 365 K HN 0.272 nan 8.250 nan 0.000 0.461 366 D N 0.790 121.190 120.400 -0.001 0.000 2.563 366 D HA -0.010 4.630 4.640 0.001 0.000 0.222 366 D C 0.387 176.731 176.300 0.074 0.000 1.145 366 D CA -0.154 53.852 54.000 0.011 0.000 1.001 366 D CB 0.375 41.169 40.800 -0.009 0.000 1.049 366 D HN 0.133 nan 8.370 nan 0.000 0.515 367 D N 1.331 121.819 120.400 0.147 0.000 2.271 367 D HA -0.214 4.426 4.640 0.001 0.000 0.207 367 D C 1.651 177.992 176.300 0.069 0.000 0.983 367 D CA 0.731 54.842 54.000 0.184 0.000 0.878 367 D CB 0.305 41.245 40.800 0.233 0.000 0.920 367 D HN 0.527 nan 8.370 nan 0.000 0.479 368 Q N 0.938 120.762 119.800 0.040 0.000 2.020 368 Q HA -0.209 4.131 4.340 0.001 0.000 0.202 368 Q C 1.961 177.961 176.000 -0.000 0.000 0.982 368 Q CA 1.550 57.359 55.803 0.011 0.000 0.838 368 Q CB -0.363 28.376 28.738 0.000 0.000 0.899 368 Q HN 0.384 nan 8.270 nan 0.000 0.423 369 E N -0.382 119.818 120.200 -0.000 0.000 2.236 369 E HA -0.229 4.121 4.350 0.001 0.000 0.205 369 E C 1.912 178.500 176.600 -0.020 0.000 1.028 369 E CA 1.729 58.120 56.400 -0.015 0.000 0.827 369 E CB -0.103 29.589 29.700 -0.014 0.000 0.735 369 E HN 0.463 nan 8.360 nan 0.000 0.470 370 I N -0.340 120.225 120.570 -0.009 0.000 2.339 370 I HA -0.175 3.996 4.170 0.001 0.000 0.245 370 I C 2.561 178.663 176.117 -0.024 0.000 1.096 370 I CA 1.006 62.291 61.300 -0.024 0.000 1.408 370 I CB -0.393 37.591 38.000 -0.026 0.000 1.092 370 I HN 0.076 nan 8.210 nan 0.000 0.423 371 S N -0.198 115.491 115.700 -0.018 0.000 2.338 371 S HA -0.231 4.240 4.470 0.001 0.000 0.218 371 S C 2.368 176.959 174.600 -0.014 0.000 1.032 371 S CA 1.767 59.958 58.200 -0.016 0.000 0.999 371 S CB -0.822 62.370 63.200 -0.014 0.000 0.905 371 S HN 0.414 nan 8.310 nan 0.000 0.439 372 S N 0.173 115.863 115.700 -0.017 0.000 2.399 372 S HA -0.205 4.265 4.470 0.001 0.000 0.235 372 S C 1.993 176.578 174.600 -0.026 0.000 1.063 372 S CA 2.514 60.700 58.200 -0.022 0.000 1.070 372 S CB -1.549 61.634 63.200 -0.029 0.000 0.904 372 S HN 0.741 nan 8.310 nan 0.000 0.456 373 T N 1.316 115.852 114.554 -0.030 0.000 2.698 373 T HA 0.140 4.491 4.350 0.001 0.000 0.260 373 T C 1.719 176.411 174.700 -0.013 0.000 1.044 373 T CA 1.446 63.524 62.100 -0.036 0.000 1.149 373 T CB -0.358 68.481 68.868 -0.049 0.000 0.864 373 T HN 0.487 nan 8.240 nan 0.000 0.419 374 I N 0.869 121.438 120.570 -0.001 0.000 2.454 374 I HA -0.126 4.044 4.170 0.001 0.000 0.254 374 I C 2.691 178.837 176.117 0.048 0.000 1.156 374 I CA 0.926 62.243 61.300 0.029 0.000 1.433 374 I CB -0.401 37.613 38.000 0.024 0.000 1.082 374 I HN 0.185 nan 8.210 nan 0.000 0.432 375 R N 1.193 121.709 120.500 0.026 0.000 2.096 375 R HA -0.233 4.107 4.340 0.001 0.000 0.240 375 R C 2.514 178.841 176.300 0.046 0.000 1.139 375 R CA 2.237 58.355 56.100 0.031 0.000 0.952 375 R CB -0.215 30.092 30.300 0.011 0.000 0.854 375 R HN 0.466 nan 8.270 nan 0.000 0.436 376 S N -0.245 115.472 115.700 0.029 0.000 2.461 376 S HA -0.008 4.462 4.470 0.001 0.000 0.228 376 S C 1.858 176.487 174.600 0.049 0.000 1.005 376 S CA 0.458 58.675 58.200 0.028 0.000 0.942 376 S CB -0.012 63.182 63.200 -0.011 0.000 0.776 376 S HN 0.262 nan 8.310 nan 0.000 0.514 377 I N 2.088 122.698 120.570 0.066 0.000 2.928 377 I HA 0.070 4.241 4.170 0.001 0.000 0.266 377 I C 2.258 178.505 176.117 0.217 0.000 1.234 377 I CA 0.703 62.062 61.300 0.098 0.000 1.483 377 I CB -1.344 36.717 38.000 0.101 0.000 1.097 377 I HN 0.463 nan 8.210 nan 0.000 0.455 378 E N 0.350 120.703 120.200 0.255 0.000 2.285 378 E HA -0.177 4.173 4.350 0.001 0.000 0.194 378 E C 1.933 178.746 176.600 0.354 0.000 0.997 378 E CA 0.249 56.892 56.400 0.406 0.000 0.845 378 E CB 0.031 29.855 29.700 0.206 0.000 0.782 378 E HN 0.485 nan 8.360 nan 0.000 0.491 379 Q N 0.527 120.439 119.800 0.186 0.000 2.291 379 Q HA -0.114 4.226 4.340 0.001 0.000 0.206 379 Q C 2.066 178.148 176.000 0.137 0.000 0.976 379 Q CA 0.677 56.564 55.803 0.139 0.000 0.875 379 Q CB 0.223 29.013 28.738 0.087 0.000 0.927 379 Q HN 0.167 nan 8.270 nan 0.000 0.450 380 V N -0.153 119.806 119.914 0.074 0.000 3.041 380 V HA -0.118 4.002 4.120 0.001 0.000 0.260 380 V C 1.002 177.206 176.094 0.184 0.000 1.105 380 V CA 0.897 63.222 62.300 0.043 0.000 1.125 380 V CB -0.344 31.418 31.823 -0.102 0.000 0.730 380 V HN 0.294 nan 8.190 nan 0.000 0.479 381 F N 0.756 120.916 119.950 0.351 0.000 2.811 381 F HA 0.231 4.759 4.527 0.003 0.000 0.301 381 F C 1.256 177.164 175.800 0.180 0.000 1.151 381 F CA 0.217 58.381 58.000 0.274 0.000 1.412 381 F CB -0.234 38.787 39.000 0.035 0.000 1.113 381 F HN 0.043 nan 8.300 nan 0.000 0.579 382 K N 1.800 122.389 120.400 0.314 0.000 2.276 382 K HA 0.332 4.652 4.320 0.001 0.000 0.285 382 K C -0.013 176.715 176.600 0.213 0.000 1.062 382 K CA -0.248 56.156 56.287 0.194 0.000 0.918 382 K CB 1.055 33.634 32.500 0.132 0.000 1.055 382 K HN 0.087 nan 8.250 nan 0.000 0.477 383 L N 2.667 123.983 121.223 0.155 0.000 2.475 383 L HA 0.359 4.699 4.340 0.001 0.000 0.253 383 L C 0.436 177.316 176.870 0.017 0.000 1.198 383 L CA -0.543 54.382 54.840 0.141 0.000 0.814 383 L CB 0.641 42.750 42.059 0.084 0.000 1.134 383 L HN 0.446 nan 8.230 nan 0.000 0.478 384 V N -2.238 117.611 119.914 -0.109 0.000 3.182 384 V HA 0.495 4.615 4.120 0.001 0.000 0.308 384 V C -1.072 174.841 176.094 -0.302 0.000 1.240 384 V CA -0.683 61.488 62.300 -0.215 0.000 1.063 384 V CB 2.018 33.675 31.823 -0.276 0.000 1.076 384 V HN 0.831 nan 8.190 nan 0.000 0.446 385 D N -0.939 119.362 120.400 -0.167 0.000 2.540 385 D HA 0.396 5.036 4.640 0.001 0.000 0.229 385 D C 0.072 176.415 176.300 0.071 0.000 1.250 385 D CA 0.234 54.233 54.000 -0.002 0.000 0.817 385 D CB 0.465 41.296 40.800 0.051 0.000 1.060 385 D HN 0.897 nan 8.370 nan 0.000 0.508 386 Q N -0.177 119.606 119.800 -0.028 0.000 2.960 386 Q HA 0.440 4.781 4.340 0.001 0.000 0.206 386 Q C -0.302 175.694 176.000 -0.005 0.000 0.959 386 Q CA 0.133 55.972 55.803 0.059 0.000 1.181 386 Q CB 0.477 29.247 28.738 0.053 0.000 1.778 386 Q HN 0.437 nan 8.270 nan 0.000 0.567 387 G N 2.442 111.273 108.800 0.051 0.000 2.378 387 G HA2 -0.108 3.853 3.960 0.001 0.000 0.198 387 G HA3 -0.108 3.853 3.960 0.001 0.000 0.198 387 G C -0.928 173.967 174.900 -0.007 0.000 1.223 387 G CA -0.155 44.951 45.100 0.010 0.000 1.088 387 G HN 0.642 nan 8.290 nan 0.000 0.530 388 E N 0.187 120.349 120.200 -0.063 0.000 2.790 388 E HA 0.567 4.918 4.350 0.001 0.000 0.256 388 E C 0.819 177.284 176.600 -0.226 0.000 1.246 388 E CA -0.125 56.191 56.400 -0.141 0.000 1.041 388 E CB 0.810 30.451 29.700 -0.098 0.000 1.272 388 E HN 2.329 nan 8.360 nan 0.000 0.603 389 G N -0.286 108.274 108.800 -0.400 0.000 2.782 389 G HA2 -0.263 3.697 3.960 0.001 0.000 0.228 389 G HA3 -0.263 3.697 3.960 0.001 0.000 0.228 389 G C -0.534 174.157 174.900 -0.348 0.000 1.372 389 G CA -0.480 44.419 45.100 -0.335 0.000 0.862 389 G HN 0.297 nan 8.290 nan 0.000 0.547 390 F N -0.801 119.219 119.950 0.115 0.000 2.426 390 F HA 0.645 5.175 4.527 0.005 0.000 0.309 390 F C 0.922 176.845 175.800 0.205 0.000 1.246 390 F CA 0.569 58.754 58.000 0.308 0.000 1.229 390 F CB 0.350 39.604 39.000 0.423 0.000 1.255 390 F HN 0.490 nan 8.300 nan 0.000 0.558 391 Y N -0.885 119.690 120.300 0.459 0.000 2.665 391 Y HA 0.171 4.719 4.550 -0.003 0.000 0.336 391 Y C 1.137 177.274 175.900 0.394 0.000 1.085 391 Y CA -0.999 57.292 58.100 0.318 0.000 1.096 391 Y CB 1.295 39.882 38.460 0.211 0.000 1.301 391 Y HN 0.529 nan 8.280 nan 0.000 0.493 392 Q N 0.188 120.252 119.800 0.440 0.000 2.061 392 Q HA -0.180 4.160 4.340 0.001 0.000 0.204 392 Q C 0.711 176.945 176.000 0.390 0.000 0.984 392 Q CA 2.119 58.144 55.803 0.369 0.000 0.846 392 Q CB -0.417 28.459 28.738 0.229 0.000 0.902 392 Q HN 0.838 nan 8.270 nan 0.000 0.421 393 D N -0.261 120.332 120.400 0.322 0.000 2.363 393 D HA 0.019 4.660 4.640 0.001 0.000 0.226 393 D C 1.174 177.658 176.300 0.306 0.000 1.020 393 D CA 1.024 55.152 54.000 0.214 0.000 0.892 393 D CB 0.218 41.083 40.800 0.108 0.000 0.900 393 D HN 0.579 nan 8.370 nan 0.000 0.531 394 G N -0.288 108.768 108.800 0.427 0.000 2.195 394 G HA2 -0.258 3.702 3.960 0.001 0.000 0.224 394 G HA3 -0.258 3.702 3.960 0.001 0.000 0.224 394 G C 0.370 175.527 174.900 0.427 0.000 0.990 394 G CA 0.142 45.535 45.100 0.488 0.000 0.639 394 G HN 0.422 nan 8.290 nan 0.000 0.514 395 S N -0.108 115.850 115.700 0.430 0.000 2.558 395 S HA 0.420 4.890 4.470 0.001 0.000 0.288 395 S C -0.407 174.334 174.600 0.235 0.000 1.318 395 S CA 0.233 58.522 58.200 0.148 0.000 1.056 395 S CB 0.651 63.784 63.200 -0.112 0.000 0.853 395 S HN 0.668 nan 8.310 nan 0.000 0.505 396 Y N 4.394 124.631 120.300 -0.104 0.000 2.332 396 Y HA 0.489 5.042 4.550 0.004 0.000 0.326 396 Y C -0.794 175.029 175.900 -0.128 0.000 0.978 396 Y CA -0.895 57.110 58.100 -0.158 0.000 1.205 396 Y CB 0.377 38.560 38.460 -0.462 0.000 1.131 396 Y HN 0.407 nan 8.280 nan 0.000 0.462 397 I N 5.581 125.891 120.570 -0.434 0.000 2.488 397 I HA 0.420 4.590 4.170 0.001 0.000 0.299 397 I C -0.489 175.214 176.117 -0.691 0.000 0.984 397 I CA -0.297 60.782 61.300 -0.368 0.000 1.250 397 I CB 1.679 39.643 38.000 -0.059 0.000 1.389 397 I HN 0.699 nan 8.210 nan 0.000 0.488 398 D N 3.607 123.786 120.400 -0.369 0.000 2.734 398 D HA 0.167 4.808 4.640 0.001 0.000 0.224 398 D C -0.746 175.492 176.300 -0.103 0.000 1.222 398 D CA -0.249 53.581 54.000 -0.283 0.000 0.761 398 D CB 1.011 41.628 40.800 -0.305 0.000 1.569 398 D HN 0.770 nan 8.370 nan 0.000 0.477 399 H N 2.298 121.271 119.070 -0.162 0.000 3.012 399 H HA -0.198 4.364 4.556 0.011 0.000 0.346 399 H C 0.495 175.753 175.328 -0.117 0.000 1.292 399 H CA 0.707 56.678 56.048 -0.129 0.000 1.211 399 H CB -1.215 28.483 29.762 -0.106 0.000 1.537 399 H HN 0.706 nan 8.280 nan 0.000 0.446 400 T N -1.219 113.343 114.554 0.013 0.000 13.097 400 T HA -0.342 4.008 4.350 0.001 0.000 0.418 400 T C 0.568 175.251 174.700 -0.028 0.000 1.446 400 T CA 1.889 63.977 62.100 -0.020 0.000 2.371 400 T CB -0.970 67.872 68.868 -0.043 0.000 2.810 400 T HN 0.777 nan 8.240 nan 0.000 0.655 401 N N 0.358 119.026 118.700 -0.054 0.000 2.657 401 N HA 0.455 5.195 4.740 0.001 0.000 0.234 401 N C -1.437 173.998 175.510 -0.125 0.000 1.433 401 N CA -0.310 52.700 53.050 -0.066 0.000 1.078 401 N CB 0.084 38.557 38.487 -0.024 0.000 1.508 401 N HN 0.558 nan 8.380 nan 0.000 0.547 402 V N 0.362 120.154 119.914 -0.203 0.000 2.444 402 V HA 0.803 4.924 4.120 0.001 0.000 0.294 402 V C 0.445 176.262 176.094 -0.462 0.000 1.022 402 V CA -1.179 60.892 62.300 -0.383 0.000 0.850 402 V CB 1.463 32.937 31.823 -0.581 0.000 0.992 402 V HN 0.547 nan 8.190 nan 0.000 0.426 403 A N 4.508 127.114 122.820 -0.358 0.000 2.550 403 A HA 0.222 4.542 4.320 0.001 0.000 0.263 403 A C -0.210 177.221 177.584 -0.254 0.000 1.065 403 A CA 0.812 52.702 52.037 -0.246 0.000 0.786 403 A CB -0.532 18.364 19.000 -0.173 0.000 0.985 403 A HN 0.808 nan 8.150 nan 0.000 0.518 404 Y N 1.639 121.927 120.300 -0.019 0.000 2.809 404 Y HA 0.107 4.656 4.550 -0.001 0.000 0.251 404 Y C 1.836 177.703 175.900 -0.055 0.000 1.136 404 Y CA -0.109 58.002 58.100 0.019 0.000 1.185 404 Y CB -0.363 38.117 38.460 0.032 0.000 1.260 404 Y HN 0.700 nan 8.280 nan 0.000 0.576 405 T N -1.564 112.970 114.554 -0.034 0.000 2.897 405 T HA -0.111 4.239 4.350 0.001 0.000 0.271 405 T C 1.784 176.250 174.700 -0.389 0.000 1.084 405 T CA 1.713 63.563 62.100 -0.417 0.000 1.123 405 T CB -0.046 68.518 68.868 -0.506 0.000 0.865 405 T HN 0.509 nan 8.240 nan 0.000 0.496 406 G N -0.867 107.856 108.800 -0.129 0.000 4.144 406 G HA2 0.622 4.583 3.960 0.001 0.000 0.297 406 G HA3 0.622 4.583 3.960 0.001 0.000 0.297 406 G C 0.544 175.460 174.900 0.027 0.000 1.090 406 G CA 0.346 45.440 45.100 -0.010 0.000 0.870 406 G HN 0.464 nan 8.290 nan 0.000 0.532 407 A N -0.641 122.187 122.820 0.012 0.000 1.786 407 A HA 0.397 4.718 4.320 0.001 0.000 0.208 407 A C 1.361 178.877 177.584 -0.113 0.000 1.787 407 A CA 0.180 52.195 52.037 -0.037 0.000 1.125 407 A CB -0.237 18.759 19.000 -0.008 0.000 1.082 407 A HN 0.173 nan 8.150 nan 0.000 0.534 408 Y N 0.654 120.694 120.300 -0.433 0.000 2.269 408 Y HA 0.067 4.620 4.550 0.005 0.000 0.294 408 Y C 2.729 178.410 175.900 -0.364 0.000 1.120 408 Y CA 0.739 58.609 58.100 -0.383 0.000 1.159 408 Y CB -0.077 38.200 38.460 -0.305 0.000 1.024 408 Y HN 0.408 nan 8.280 nan 0.000 0.532 409 G N 0.437 108.989 108.800 -0.412 0.000 2.517 409 G HA2 -0.327 3.634 3.960 0.001 0.000 0.222 409 G HA3 -0.327 3.634 3.960 0.001 0.000 0.222 409 G C 1.321 176.284 174.900 0.104 0.000 1.109 409 G CA 1.487 46.438 45.100 -0.248 0.000 0.746 409 G HN 0.330 nan 8.290 nan 0.000 0.576 410 N N 0.343 119.059 118.700 0.026 0.000 2.062 410 N HA -0.088 4.652 4.740 0.001 0.000 0.191 410 N C 2.260 177.727 175.510 -0.071 0.000 1.042 410 N CA 1.084 54.125 53.050 -0.014 0.000 0.845 410 N CB -0.932 37.538 38.487 -0.028 0.000 1.024 410 N HN 0.139 nan 8.380 nan 0.000 0.424 411 V N 1.427 121.269 119.914 -0.119 0.000 2.453 411 V HA -0.183 3.937 4.120 0.001 0.000 0.252 411 V C 2.185 178.230 176.094 -0.081 0.000 1.068 411 V CA 1.142 63.367 62.300 -0.125 0.000 1.070 411 V CB -0.454 31.226 31.823 -0.239 0.000 0.664 411 V HN 0.255 nan 8.190 nan 0.000 0.461 412 L N -0.782 120.389 121.223 -0.087 0.000 2.013 412 L HA -0.050 4.290 4.340 0.001 0.000 0.204 412 L C 2.255 179.104 176.870 -0.035 0.000 1.081 412 L CA 1.657 56.460 54.840 -0.062 0.000 0.751 412 L CB -0.308 41.689 42.059 -0.103 0.000 0.901 412 L HN 0.187 nan 8.230 nan 0.000 0.440 413 I N -0.106 120.427 120.570 -0.062 0.000 2.264 413 I HA -0.325 3.845 4.170 0.001 0.000 0.248 413 I C 1.817 177.905 176.117 -0.048 0.000 1.111 413 I CA 2.021 63.269 61.300 -0.086 0.000 1.382 413 I CB -0.141 37.639 38.000 -0.367 0.000 1.060 413 I HN 0.524 nan 8.210 nan 0.000 0.418 414 D N 0.124 120.490 120.400 -0.057 0.000 2.249 414 D HA -0.052 4.588 4.640 0.001 0.000 0.205 414 D C 2.002 178.308 176.300 0.010 0.000 0.962 414 D CA 1.217 55.197 54.000 -0.033 0.000 0.860 414 D CB -0.005 40.767 40.800 -0.047 0.000 0.955 414 D HN 0.398 nan 8.370 nan 0.000 0.505 415 G N 0.210 109.025 108.800 0.025 0.000 2.395 415 G HA2 -0.157 3.803 3.960 0.001 0.000 0.214 415 G HA3 -0.157 3.803 3.960 0.001 0.000 0.214 415 G C 1.446 176.413 174.900 0.111 0.000 1.177 415 G CA 0.365 45.508 45.100 0.072 0.000 0.794 415 G HN 0.325 nan 8.290 nan 0.000 0.532 416 L N 1.984 123.266 121.223 0.100 0.000 2.395 416 L HA 0.135 4.475 4.340 0.001 0.000 0.218 416 L C 2.640 179.604 176.870 0.157 0.000 1.130 416 L CA 1.634 56.561 54.840 0.144 0.000 0.826 416 L CB -0.065 42.094 42.059 0.167 0.000 0.941 416 L HN 0.287 nan 8.230 nan 0.000 0.451 417 S N -2.404 113.366 115.700 0.116 0.000 2.650 417 S HA -0.000 4.470 4.470 0.001 0.000 0.219 417 S C 1.368 176.026 174.600 0.096 0.000 0.960 417 S CA 0.301 58.559 58.200 0.098 0.000 0.925 417 S CB -0.112 63.120 63.200 0.052 0.000 0.775 417 S HN 0.657 nan 8.310 nan 0.000 0.525 418 Q N -0.054 119.832 119.800 0.144 0.000 2.471 418 Q HA 0.364 4.704 4.340 0.001 0.000 0.259 418 Q C 1.801 178.007 176.000 0.343 0.000 0.850 418 Q CA 0.099 56.020 55.803 0.197 0.000 0.981 418 Q CB -0.129 28.724 28.738 0.191 0.000 1.180 418 Q HN 0.432 nan 8.270 nan 0.000 0.571 419 L N 1.016 122.420 121.223 0.302 0.000 2.083 419 L HA -0.153 4.187 4.340 0.001 0.000 0.209 419 L C 2.270 179.242 176.870 0.170 0.000 1.083 419 L CA 0.959 55.931 54.840 0.220 0.000 0.752 419 L CB -0.437 41.705 42.059 0.138 0.000 0.899 419 L HN 0.239 nan 8.230 nan 0.000 0.433 420 L N -0.274 121.047 121.223 0.164 0.000 2.046 420 L HA -0.126 4.215 4.340 0.001 0.000 0.208 420 L C 0.094 177.027 176.870 0.105 0.000 1.077 420 L CA 1.714 56.632 54.840 0.129 0.000 0.747 420 L CB -2.032 40.106 42.059 0.132 0.000 0.896 420 L HN 0.229 nan 8.230 nan 0.000 0.432 421 P HA -0.131 nan 4.420 nan 0.000 0.216 421 P C 1.974 179.338 177.300 0.107 0.000 1.153 421 P CA 1.134 64.296 63.100 0.105 0.000 0.858 421 P CB 0.110 31.880 31.700 0.117 0.000 0.789 422 V N -0.075 119.921 119.914 0.137 0.000 2.239 422 V HA -0.209 3.911 4.120 0.001 0.000 0.236 422 V C 2.391 178.515 176.094 0.050 0.000 1.040 422 V CA 1.434 63.796 62.300 0.104 0.000 0.996 422 V CB -1.293 30.601 31.823 0.119 0.000 0.640 422 V HN -0.011 nan 8.190 nan 0.000 0.456 423 I N 0.147 120.742 120.570 0.042 0.000 2.210 423 I HA -0.427 3.744 4.170 0.001 0.000 0.249 423 I C 2.620 178.745 176.117 0.015 0.000 1.047 423 I CA 1.798 63.113 61.300 0.024 0.000 1.323 423 I CB -0.416 37.615 38.000 0.051 0.000 1.017 423 I HN 0.488 nan 8.210 nan 0.000 0.427 424 Q N 0.139 119.954 119.800 0.025 0.000 2.269 424 Q HA -0.065 4.275 4.340 0.001 0.000 0.201 424 Q C 1.994 177.995 176.000 0.002 0.000 0.946 424 Q CA 0.996 56.805 55.803 0.009 0.000 0.877 424 Q CB -0.032 28.715 28.738 0.015 0.000 0.963 424 Q HN 0.556 nan 8.270 nan 0.000 0.472 425 K N 0.779 121.185 120.400 0.009 0.000 2.366 425 K HA -0.002 4.318 4.320 0.001 0.000 0.198 425 K C 1.134 177.719 176.600 -0.024 0.000 1.044 425 K CA 0.548 56.834 56.287 -0.000 0.000 0.973 425 K CB 0.025 32.534 32.500 0.015 0.000 0.767 425 K HN 0.280 nan 8.250 nan 0.000 0.475 426 T N -0.493 114.042 114.554 -0.033 0.000 2.701 426 T HA 0.068 4.419 4.350 0.001 0.000 0.303 426 T C 1.027 175.686 174.700 -0.067 0.000 1.030 426 T CA -0.462 61.598 62.100 -0.066 0.000 1.010 426 T CB 0.712 69.540 68.868 -0.067 0.000 1.007 426 T HN -0.155 nan 8.240 nan 0.000 0.532 427 K N 0.657 121.001 120.400 -0.093 0.000 2.432 427 K HA 0.053 4.374 4.320 0.001 0.000 0.196 427 K C 0.144 176.711 176.600 -0.054 0.000 1.038 427 K CA 0.581 56.822 56.287 -0.076 0.000 0.986 427 K CB -0.495 31.947 32.500 -0.097 0.000 0.782 427 K HN 0.666 nan 8.250 nan 0.000 0.485 428 N N 1.490 120.160 118.700 -0.049 0.000 2.757 428 N HA 0.130 4.871 4.740 0.001 0.000 0.296 428 N C -2.761 172.732 175.510 -0.028 0.000 1.874 428 N CA -1.012 52.018 53.050 -0.034 0.000 0.885 428 N CB 1.249 39.717 38.487 -0.030 0.000 1.242 428 N HN -0.002 nan 8.380 nan 0.000 0.488 429 P HA 0.221 nan 4.420 nan 0.000 0.282 429 P C 0.066 177.346 177.300 -0.034 0.000 1.249 429 P CA -0.283 62.802 63.100 -0.026 0.000 0.806 429 P CB 1.491 33.175 31.700 -0.027 0.000 0.984 430 I N 1.878 122.425 120.570 -0.038 0.000 2.692 430 I HA -0.021 4.149 4.170 0.001 0.000 0.284 430 I C 0.581 176.637 176.117 -0.101 0.000 1.159 430 I CA 0.241 61.498 61.300 -0.072 0.000 1.423 430 I CB -0.052 37.887 38.000 -0.101 0.000 1.380 430 I HN 0.292 nan 8.210 nan 0.000 0.580 431 D N 5.139 125.473 120.400 -0.109 0.000 2.424 431 D HA -0.012 4.628 4.640 0.001 0.000 0.244 431 D C 0.855 177.062 176.300 -0.154 0.000 1.134 431 D CA 0.050 53.985 54.000 -0.108 0.000 0.881 431 D CB 0.619 41.364 40.800 -0.092 0.000 1.191 431 D HN 0.392 nan 8.370 nan 0.000 0.445 432 K N 1.842 122.167 120.400 -0.125 0.000 2.574 432 K HA -0.155 4.165 4.320 0.001 0.000 0.193 432 K C 1.078 177.579 176.600 -0.164 0.000 1.035 432 K CA 0.362 56.565 56.287 -0.139 0.000 0.982 432 K CB 0.199 32.648 32.500 -0.085 0.000 0.795 432 K HN 0.457 nan 8.250 nan 0.000 0.491 433 D N 1.071 121.372 120.400 -0.165 0.000 2.078 433 D HA -0.160 4.480 4.640 0.001 0.000 0.193 433 D C 1.004 177.155 176.300 -0.248 0.000 0.990 433 D CA 1.322 55.222 54.000 -0.166 0.000 0.827 433 D CB 0.332 41.055 40.800 -0.129 0.000 0.975 433 D HN 0.018 nan 8.370 nan 0.000 0.451 434 K N 0.057 120.253 120.400 -0.340 0.000 2.525 434 K HA 0.103 4.423 4.320 0.001 0.000 0.192 434 K C 1.501 177.656 176.600 -0.743 0.000 1.029 434 K CA -0.091 55.900 56.287 -0.494 0.000 1.029 434 K CB -0.154 32.007 32.500 -0.565 0.000 0.814 434 K HN 0.219 nan 8.250 nan 0.000 0.503 435 M N 0.458 119.697 119.600 -0.601 0.000 2.682 435 M HA -0.069 4.412 4.480 0.001 0.000 0.235 435 M C 0.246 176.143 176.300 -0.671 0.000 1.114 435 M CA 0.936 55.898 55.300 -0.563 0.000 1.053 435 M CB 0.210 32.595 32.600 -0.358 0.000 1.599 435 M HN 0.024 nan 8.290 nan 0.000 0.520 436 Q N -1.002 118.458 119.800 -0.566 0.000 2.349 436 Q HA 0.105 4.445 4.340 0.001 0.000 0.209 436 Q C 1.658 177.323 176.000 -0.558 0.000 0.920 436 Q CA 1.227 56.703 55.803 -0.545 0.000 0.901 436 Q CB -0.577 28.000 28.738 -0.268 0.000 1.021 436 Q HN 0.358 nan 8.270 nan 0.000 0.519 437 T N 1.229 115.450 114.554 -0.555 0.000 3.077 437 T HA -0.058 4.293 4.350 0.001 0.000 0.269 437 T C 1.542 175.440 174.700 -1.336 0.000 1.146 437 T CA 0.656 62.311 62.100 -0.741 0.000 1.091 437 T CB -0.048 68.473 68.868 -0.579 0.000 0.892 437 T HN 0.140 nan 8.240 nan 0.000 0.533 438 M N 0.565 119.543 119.600 -1.037 0.000 2.077 438 M HA -0.026 4.454 4.480 0.001 0.000 0.261 438 M C 1.866 177.969 176.300 -0.330 0.000 1.070 438 M CA 1.721 56.568 55.300 -0.754 0.000 1.125 438 M CB -0.939 31.335 32.600 -0.543 0.000 1.339 438 M HN 0.325 nan 8.290 nan 0.000 0.409 439 Y N -1.158 119.045 120.300 -0.161 0.000 2.516 439 Y HA -0.097 4.454 4.550 0.001 0.000 0.291 439 Y C 2.490 178.382 175.900 -0.013 0.000 1.131 439 Y CA 0.610 58.675 58.100 -0.058 0.000 1.281 439 Y CB -1.715 36.712 38.460 -0.054 0.000 1.013 439 Y HN 0.433 nan 8.280 nan 0.000 0.554 440 H N -0.690 118.333 119.070 -0.079 0.000 2.395 440 H HA -0.145 4.410 4.556 -0.000 0.000 0.299 440 H C 1.283 176.667 175.328 0.094 0.000 1.070 440 H CA 1.556 57.586 56.048 -0.030 0.000 1.356 440 H CB -0.201 29.488 29.762 -0.122 0.000 1.401 440 H HN 0.253 nan 8.280 nan 0.000 0.524 441 W N 1.334 122.639 121.300 0.008 0.000 2.354 441 W HA -0.092 4.570 4.660 0.003 0.000 0.315 441 W C 2.753 179.398 176.519 0.210 0.000 1.206 441 W CA 0.260 57.561 57.345 -0.074 0.000 1.290 441 W CB -1.189 28.111 29.460 -0.266 0.000 1.152 441 W HN 0.173 nan 8.180 nan 0.000 0.489 442 I N -0.021 120.776 120.570 0.379 0.000 2.118 442 I HA -0.337 3.833 4.170 0.001 0.000 0.241 442 I C 2.320 178.561 176.117 0.206 0.000 1.070 442 I CA 1.933 63.392 61.300 0.265 0.000 1.327 442 I CB -0.456 37.640 38.000 0.161 0.000 1.034 442 I HN -0.079 nan 8.210 nan 0.000 0.405 443 D N -0.086 120.385 120.400 0.118 0.000 2.269 443 D HA -0.092 4.548 4.640 0.001 0.000 0.220 443 D C 2.081 178.393 176.300 0.019 0.000 0.962 443 D CA 0.845 54.868 54.000 0.037 0.000 0.884 443 D CB 0.272 41.078 40.800 0.010 0.000 1.023 443 D HN 0.068 nan 8.370 nan 0.000 0.484 444 K N 0.257 120.636 120.400 -0.036 0.000 2.103 444 K HA 0.019 4.339 4.320 0.001 0.000 0.204 444 K C 1.927 178.625 176.600 0.164 0.000 1.052 444 K CA 1.104 57.375 56.287 -0.028 0.000 0.945 444 K CB 0.259 32.581 32.500 -0.296 0.000 0.722 444 K HN -0.105 nan 8.250 nan 0.000 0.443 445 S N -1.083 114.685 115.700 0.113 0.000 2.460 445 S HA 0.160 4.631 4.470 0.001 0.000 0.226 445 S C 1.362 175.850 174.600 -0.186 0.000 1.057 445 S CA 0.227 58.435 58.200 0.013 0.000 0.948 445 S CB -0.065 63.168 63.200 0.054 0.000 0.822 445 S HN 0.149 nan 8.310 nan 0.000 0.512 446 F N 1.642 121.624 119.950 0.054 0.000 2.399 446 F HA 0.405 4.933 4.527 0.001 0.000 0.282 446 F C 2.565 178.351 175.800 -0.023 0.000 1.027 446 F CA 0.442 58.447 58.000 0.008 0.000 1.333 446 F CB -0.821 38.196 39.000 0.028 0.000 1.132 446 F HN 0.128 nan 8.300 nan 0.000 0.590 447 A N 0.787 123.704 122.820 0.162 0.000 1.948 447 A HA -0.165 4.155 4.320 0.001 0.000 0.220 447 A C -0.470 177.053 177.584 -0.101 0.000 1.177 447 A CA 2.000 54.037 52.037 -0.001 0.000 0.636 447 A CB -2.048 16.916 19.000 -0.061 0.000 0.815 447 A HN 0.255 nan 8.150 nan 0.000 0.449 448 P HA -0.035 nan 4.420 nan 0.000 0.221 448 P C 0.983 178.408 177.300 0.208 0.000 1.150 448 P CA 0.682 63.770 63.100 -0.019 0.000 0.800 448 P CB -0.101 31.773 31.700 0.289 0.000 0.787 449 L N -1.800 119.481 121.223 0.096 0.000 2.599 449 L HA 0.068 4.408 4.340 0.001 0.000 0.230 449 L C 0.786 177.640 176.870 -0.026 0.000 1.141 449 L CA 0.073 54.931 54.840 0.030 0.000 0.877 449 L CB -0.599 41.421 42.059 -0.064 0.000 1.009 449 L HN -0.064 nan 8.230 nan 0.000 0.447 450 L N 0.001 121.208 121.223 -0.027 0.000 2.312 450 L HA 0.478 4.819 4.340 0.001 0.000 0.281 450 L C -0.514 176.269 176.870 -0.144 0.000 1.070 450 L CA -0.407 54.379 54.840 -0.090 0.000 0.805 450 L CB 1.984 43.996 42.059 -0.078 0.000 1.174 450 L HN -0.293 nan 8.230 nan 0.000 0.434 451 V N 3.405 123.191 119.914 -0.214 0.000 2.624 451 V HA 0.229 4.349 4.120 0.001 0.000 0.294 451 V C -0.493 175.501 176.094 -0.168 0.000 1.077 451 V CA -0.625 61.520 62.300 -0.258 0.000 0.905 451 V CB 1.605 33.245 31.823 -0.304 0.000 1.025 451 V HN 0.919 nan 8.190 nan 0.000 0.440 452 N N 4.092 122.712 118.700 -0.133 0.000 2.696 452 N HA -0.213 4.528 4.740 0.001 0.000 0.249 452 N C 0.998 176.465 175.510 -0.072 0.000 1.090 452 N CA 1.844 54.881 53.050 -0.022 0.000 0.716 452 N CB -1.129 37.422 38.487 0.105 0.000 1.020 452 N HN 1.737 nan 8.380 nan 0.000 0.548 453 G N -0.601 108.082 108.800 -0.195 0.000 2.142 453 G HA2 -0.291 3.669 3.960 0.001 0.000 0.225 453 G HA3 -0.291 3.669 3.960 0.001 0.000 0.225 453 G C -0.375 174.127 174.900 -0.663 0.000 1.015 453 G CA 0.435 45.336 45.100 -0.332 0.000 0.716 453 G HN 0.800 nan 8.290 nan 0.000 0.508 454 E N -0.325 119.618 120.200 -0.427 0.000 2.210 454 E HA 0.675 5.025 4.350 0.001 0.000 0.266 454 E C -0.428 176.102 176.600 -0.117 0.000 0.883 454 E CA -1.153 55.124 56.400 -0.206 0.000 0.761 454 E CB 1.236 30.996 29.700 0.100 0.000 1.156 454 E HN 0.252 nan 8.360 nan 0.000 0.412 455 L N 4.881 126.082 121.223 -0.037 0.000 2.305 455 L HA 0.379 4.719 4.340 0.001 0.000 0.281 455 L C -0.390 176.470 176.870 -0.017 0.000 1.085 455 L CA -0.012 54.813 54.840 -0.026 0.000 0.813 455 L CB 0.867 42.935 42.059 0.014 0.000 1.157 455 L HN 0.792 nan 8.230 nan 0.000 0.436 456 M N 4.169 123.727 119.600 -0.071 0.000 2.252 456 M HA 0.006 4.487 4.480 0.001 0.000 0.348 456 M C 0.727 176.962 176.300 -0.109 0.000 1.334 456 M CA 0.006 55.254 55.300 -0.086 0.000 1.071 456 M CB 0.248 32.779 32.600 -0.114 0.000 1.763 456 M HN 0.549 nan 8.290 nan 0.000 0.452 457 D N 2.807 123.111 120.400 -0.160 0.000 2.309 457 D HA -0.148 4.492 4.640 0.001 0.000 0.212 457 D C 1.859 178.099 176.300 -0.100 0.000 0.968 457 D CA 1.184 55.161 54.000 -0.038 0.000 0.882 457 D CB -0.130 40.832 40.800 0.271 0.000 0.918 457 D HN 0.708 nan 8.370 nan 0.000 0.503 458 M N 0.161 119.600 119.600 -0.268 0.000 2.200 458 M HA -0.088 4.393 4.480 0.001 0.000 0.265 458 M C 1.933 178.183 176.300 -0.084 0.000 1.066 458 M CA 1.593 56.826 55.300 -0.113 0.000 1.127 458 M CB -0.355 32.180 32.600 -0.108 0.000 1.379 458 M HN -0.079 nan 8.290 nan 0.000 0.420 459 S N 0.496 116.135 115.700 -0.101 0.000 2.481 459 S HA 0.022 4.492 4.470 0.001 0.000 0.231 459 S C 1.905 176.513 174.600 0.013 0.000 0.996 459 S CA 0.465 58.614 58.200 -0.084 0.000 0.942 459 S CB -0.565 62.554 63.200 -0.135 0.000 0.768 459 S HN 0.605 nan 8.310 nan 0.000 0.520 460 R N 1.165 121.677 120.500 0.020 0.000 2.200 460 R HA 0.211 4.551 4.340 0.001 0.000 0.208 460 R C 2.075 178.477 176.300 0.170 0.000 1.033 460 R CA 0.510 56.661 56.100 0.086 0.000 1.000 460 R CB -0.806 29.512 30.300 0.030 0.000 0.906 460 R HN 0.556 nan 8.270 nan 0.000 0.462 461 G N 2.313 111.138 108.800 0.042 0.000 2.677 461 G HA2 -0.478 3.483 3.960 0.001 0.000 0.321 461 G HA3 -0.478 3.483 3.960 0.001 0.000 0.321 461 G C 0.843 175.736 174.900 -0.012 0.000 1.181 461 G CA 0.937 46.018 45.100 -0.032 0.000 0.965 461 G HN 0.483 nan 8.290 nan 0.000 0.548 462 R N 0.204 120.774 120.500 0.117 0.000 2.223 462 R HA 0.451 4.791 4.340 0.001 0.000 0.198 462 R C 2.462 178.752 176.300 -0.016 0.000 0.984 462 R CA 1.649 57.768 56.100 0.030 0.000 1.018 462 R CB -0.422 29.931 30.300 0.088 0.000 0.945 462 R HN 0.377 nan 8.270 nan 0.000 0.479 463 S N 1.811 117.521 115.700 0.018 0.000 2.419 463 S HA -0.095 4.376 4.470 0.001 0.000 0.235 463 S C 1.802 176.363 174.600 -0.065 0.000 1.019 463 S CA 1.407 59.590 58.200 -0.028 0.000 0.982 463 S CB -0.422 62.770 63.200 -0.014 0.000 0.789 463 S HN 0.585 nan 8.310 nan 0.000 0.490 464 I N 0.926 121.400 120.570 -0.160 0.000 2.761 464 I HA -0.102 4.069 4.170 0.001 0.000 0.266 464 I C 1.580 177.572 176.117 -0.209 0.000 1.239 464 I CA 1.383 62.479 61.300 -0.340 0.000 1.451 464 I CB -0.583 36.839 38.000 -0.965 0.000 1.096 464 I HN 0.246 nan 8.210 nan 0.000 0.465 465 S N 0.426 116.089 115.700 -0.062 0.000 2.660 465 S HA 0.331 4.802 4.470 0.001 0.000 0.227 465 S C 0.423 175.215 174.600 0.319 0.000 0.948 465 S CA -0.748 57.550 58.200 0.164 0.000 0.948 465 S CB -0.177 63.042 63.200 0.032 0.000 0.779 465 S HN 0.523 nan 8.310 nan 0.000 0.487 466 R N -0.053 120.504 120.500 0.095 0.000 2.561 466 R HA 0.716 5.056 4.340 0.001 0.000 0.297 466 R C 0.863 176.645 176.300 -0.864 0.000 0.969 466 R CA -0.010 55.920 56.100 -0.284 0.000 0.879 466 R CB 1.321 31.508 30.300 -0.189 0.000 1.178 466 R HN 0.125 nan 8.270 nan 0.000 0.445 467 A N 2.205 124.146 122.820 -1.464 0.000 1.969 467 A HA -0.186 4.134 4.320 0.001 0.000 0.218 467 A C 1.532 178.769 177.584 -0.577 0.000 1.169 467 A CA 1.584 52.709 52.037 -1.521 0.000 0.635 467 A CB -0.476 17.627 19.000 -1.495 0.000 0.810 467 A HN 0.860 nan 8.150 nan 0.000 0.445 468 N N 0.092 118.549 118.700 -0.404 0.000 2.520 468 N HA -0.044 4.697 4.740 0.001 0.000 0.185 468 N C 0.146 175.570 175.510 -0.143 0.000 1.068 468 N CA 1.424 54.347 53.050 -0.211 0.000 0.911 468 N CB -0.441 37.947 38.487 -0.165 0.000 0.961 468 N HN 0.187 nan 8.380 nan 0.000 0.446 469 S N 0.079 115.686 115.700 -0.155 0.000 2.474 469 S HA 0.193 4.663 4.470 0.001 0.000 0.224 469 S C -0.253 174.352 174.600 0.009 0.000 1.209 469 S CA -0.772 57.387 58.200 -0.068 0.000 1.212 469 S CB 0.681 63.838 63.200 -0.071 0.000 1.137 469 S HN 0.217 nan 8.310 nan 0.000 0.446 470 E N 0.716 120.939 120.200 0.039 0.000 2.416 470 E HA 0.150 4.501 4.350 0.001 0.000 0.254 470 E C 1.579 178.287 176.600 0.181 0.000 1.241 470 E CA -0.005 56.506 56.400 0.185 0.000 0.969 470 E CB 0.398 30.220 29.700 0.202 0.000 0.999 470 E HN 0.411 nan 8.360 nan 0.000 0.481 471 G N 0.286 109.256 108.800 0.284 0.000 2.476 471 G HA2 -0.290 3.670 3.960 0.001 0.000 0.218 471 G HA3 -0.290 3.670 3.960 0.001 0.000 0.218 471 G C 1.189 176.233 174.900 0.239 0.000 1.164 471 G CA 1.132 46.404 45.100 0.287 0.000 0.768 471 G HN 0.447 nan 8.290 nan 0.000 0.560 472 H N -0.744 118.349 119.070 0.038 0.000 2.470 472 H HA 0.148 4.705 4.556 0.000 0.000 0.289 472 H C 2.676 177.914 175.328 -0.150 0.000 1.033 472 H CA 0.753 56.781 56.048 -0.033 0.000 1.331 472 H CB 0.116 29.855 29.762 -0.038 0.000 1.414 472 H HN 0.238 nan 8.280 nan 0.000 0.545 473 V N -0.093 119.743 119.914 -0.131 0.000 2.302 473 V HA -0.100 4.021 4.120 0.001 0.000 0.243 473 V C 2.478 178.603 176.094 0.052 0.000 1.036 473 V CA 1.453 63.713 62.300 -0.066 0.000 1.020 473 V CB -0.967 30.804 31.823 -0.088 0.000 0.657 473 V HN 0.473 nan 8.190 nan 0.000 0.453 474 A N 0.031 122.868 122.820 0.029 0.000 2.172 474 A HA 0.093 4.413 4.320 0.001 0.000 0.216 474 A C 2.275 179.876 177.584 0.029 0.000 1.154 474 A CA 1.480 53.532 52.037 0.025 0.000 0.701 474 A CB -0.527 18.486 19.000 0.021 0.000 0.789 474 A HN 0.545 nan 8.150 nan 0.000 0.465 475 A N -0.551 122.288 122.820 0.030 0.000 1.968 475 A HA 0.075 4.396 4.320 0.001 0.000 0.217 475 A C 2.037 179.626 177.584 0.007 0.000 1.169 475 A CA 1.512 53.554 52.037 0.008 0.000 0.638 475 A CB -0.538 18.437 19.000 -0.042 0.000 0.812 475 A HN 0.362 nan 8.150 nan 0.000 0.446 476 V N 0.288 120.227 119.914 0.042 0.000 2.667 476 V HA -0.196 3.924 4.120 0.001 0.000 0.252 476 V C 2.055 178.145 176.094 -0.006 0.000 1.065 476 V CA 1.805 64.119 62.300 0.023 0.000 1.083 476 V CB -0.834 31.032 31.823 0.071 0.000 0.692 476 V HN 0.619 nan 8.190 nan 0.000 0.468 477 E N -0.127 120.073 120.200 -0.000 0.000 2.401 477 E HA -0.125 4.225 4.350 0.001 0.000 0.199 477 E C 1.920 178.490 176.600 -0.049 0.000 1.023 477 E CA 0.986 57.372 56.400 -0.023 0.000 0.859 477 E CB 0.071 29.759 29.700 -0.020 0.000 0.780 477 E HN 0.506 nan 8.360 nan 0.000 0.523 478 V N 0.103 119.986 119.914 -0.052 0.000 3.212 478 V HA -0.029 4.092 4.120 0.001 0.000 0.244 478 V C 1.826 177.857 176.094 -0.104 0.000 1.151 478 V CA 0.340 62.571 62.300 -0.115 0.000 1.119 478 V CB 0.123 31.889 31.823 -0.096 0.000 0.838 478 V HN 0.202 nan 8.190 nan 0.000 0.470 479 L N 1.003 122.189 121.223 -0.062 0.000 2.362 479 L HA -0.083 4.257 4.340 0.001 0.000 0.219 479 L C 2.791 179.644 176.870 -0.029 0.000 1.134 479 L CA 1.238 56.046 54.840 -0.053 0.000 0.807 479 L CB -0.342 41.684 42.059 -0.055 0.000 0.927 479 L HN 0.440 nan 8.230 nan 0.000 0.447 480 R N -0.573 119.905 120.500 -0.036 0.000 2.066 480 R HA 0.016 4.356 4.340 0.001 0.000 0.224 480 R C 2.178 178.470 176.300 -0.013 0.000 1.122 480 R CA 1.185 57.271 56.100 -0.024 0.000 0.974 480 R CB -1.261 29.008 30.300 -0.051 0.000 0.871 480 R HN 0.151 nan 8.270 nan 0.000 0.435 481 G N 2.032 110.804 108.800 -0.047 0.000 2.462 481 G HA2 -0.165 3.795 3.960 0.001 0.000 0.220 481 G HA3 -0.165 3.795 3.960 0.001 0.000 0.220 481 G C 1.549 176.427 174.900 -0.037 0.000 1.121 481 G CA 0.709 45.778 45.100 -0.051 0.000 0.758 481 G HN 0.225 nan 8.290 nan 0.000 0.559 482 I N -0.693 119.845 120.570 -0.053 0.000 2.233 482 I HA -0.114 4.056 4.170 0.001 0.000 0.243 482 I C 2.409 178.541 176.117 0.025 0.000 1.093 482 I CA 1.327 62.606 61.300 -0.035 0.000 1.380 482 I CB -0.444 37.514 38.000 -0.069 0.000 1.067 482 I HN 0.280 nan 8.210 nan 0.000 0.413 483 H N 1.183 120.220 119.070 -0.055 0.000 2.299 483 H HA -0.088 4.468 4.556 0.000 0.000 0.302 483 H C 2.499 177.807 175.328 -0.033 0.000 1.078 483 H CA 1.356 57.374 56.048 -0.049 0.000 1.323 483 H CB 0.202 29.927 29.762 -0.060 0.000 1.381 483 H HN 0.075 nan 8.280 nan 0.000 0.498 484 R N 0.182 120.767 120.500 0.141 0.000 2.133 484 R HA -0.175 4.165 4.340 0.001 0.000 0.247 484 R C 2.226 178.583 176.300 0.096 0.000 1.151 484 R CA 1.577 57.717 56.100 0.066 0.000 0.971 484 R CB -0.210 30.104 30.300 0.023 0.000 0.866 484 R HN 0.421 nan 8.270 nan 0.000 0.447 485 I N 0.638 121.270 120.570 0.103 0.000 2.226 485 I HA -0.235 3.935 4.170 0.001 0.000 0.245 485 I C 2.617 178.798 176.117 0.107 0.000 1.100 485 I CA 1.370 62.743 61.300 0.122 0.000 1.374 485 I CB -1.262 36.828 38.000 0.150 0.000 1.057 485 I HN 0.185 nan 8.210 nan 0.000 0.413 486 A N 0.729 123.591 122.820 0.069 0.000 1.883 486 A HA -0.319 4.001 4.320 0.001 0.000 0.217 486 A C 2.111 179.725 177.584 0.050 0.000 1.186 486 A CA 2.427 54.467 52.037 0.005 0.000 0.624 486 A CB -0.950 17.985 19.000 -0.109 0.000 0.822 486 A HN 0.439 nan 8.150 nan 0.000 0.444 487 D N 0.098 120.573 120.400 0.126 0.000 2.116 487 D HA -0.180 4.460 4.640 0.001 0.000 0.193 487 D C 1.779 178.109 176.300 0.050 0.000 0.998 487 D CA 1.796 55.849 54.000 0.088 0.000 0.836 487 D CB -0.242 40.595 40.800 0.062 0.000 0.951 487 D HN 0.582 nan 8.370 nan 0.000 0.449 488 M N -0.985 118.650 119.600 0.058 0.000 2.866 488 M HA 0.301 4.782 4.480 0.001 0.000 0.231 488 M C -0.095 176.240 176.300 0.057 0.000 1.302 488 M CA -0.109 55.222 55.300 0.053 0.000 1.083 488 M CB 0.593 33.229 32.600 0.060 0.000 1.499 488 M HN -0.231 nan 8.290 nan 0.000 0.451 489 S N 0.971 116.697 115.700 0.043 0.000 2.810 489 S HA 0.614 5.085 4.470 0.001 0.000 0.315 489 S C -1.163 173.441 174.600 0.007 0.000 1.138 489 S CA -0.789 57.432 58.200 0.036 0.000 0.889 489 S CB 1.938 65.142 63.200 0.007 0.000 1.236 489 S HN 0.698 nan 8.310 nan 0.000 0.548 490 E N -0.227 119.968 120.200 -0.008 0.000 2.263 490 E HA 0.580 4.931 4.350 0.001 0.000 0.268 490 E C 0.234 176.813 176.600 -0.035 0.000 0.884 490 E CA -0.393 55.998 56.400 -0.015 0.000 0.766 490 E CB 1.105 30.803 29.700 -0.004 0.000 1.196 490 E HN 0.864 nan 8.360 nan 0.000 0.416 491 G N 3.935 112.714 108.800 -0.035 0.000 2.527 491 G HA2 -0.420 3.541 3.960 0.001 0.000 0.262 491 G HA3 -0.420 3.541 3.960 0.001 0.000 0.262 491 G C 0.770 175.635 174.900 -0.059 0.000 1.153 491 G CA 0.343 45.419 45.100 -0.040 0.000 0.954 491 G HN 0.684 nan 8.290 nan 0.000 0.552 492 E N -0.248 119.913 120.200 -0.065 0.000 2.106 492 E HA -0.067 4.284 4.350 0.001 0.000 0.192 492 E C 2.700 179.226 176.600 -0.123 0.000 0.984 492 E CA 1.744 58.096 56.400 -0.080 0.000 0.806 492 E CB -0.275 29.383 29.700 -0.069 0.000 0.750 492 E HN 0.509 nan 8.360 nan 0.000 0.458 493 T N 0.909 115.372 114.554 -0.152 0.000 2.759 493 T HA -0.205 4.146 4.350 0.001 0.000 0.269 493 T C 1.741 176.295 174.700 -0.242 0.000 1.042 493 T CA 1.699 63.639 62.100 -0.268 0.000 1.140 493 T CB -0.132 68.544 68.868 -0.319 0.000 0.864 493 T HN 0.168 nan 8.240 nan 0.000 0.455 494 K N 1.032 121.343 120.400 -0.149 0.000 1.973 494 K HA -0.130 4.190 4.320 0.001 0.000 0.210 494 K C 2.486 179.010 176.600 -0.127 0.000 1.045 494 K CA 1.532 57.749 56.287 -0.117 0.000 0.937 494 K CB -0.220 32.242 32.500 -0.064 0.000 0.721 494 K HN 0.212 nan 8.250 nan 0.000 0.438 495 Q N 0.482 120.220 119.800 -0.103 0.000 2.181 495 Q HA -0.214 4.127 4.340 0.001 0.000 0.205 495 Q C 2.066 178.000 176.000 -0.111 0.000 0.980 495 Q CA 1.889 57.636 55.803 -0.094 0.000 0.862 495 Q CB -0.063 28.634 28.738 -0.068 0.000 0.905 495 Q HN 0.437 nan 8.270 nan 0.000 0.429 496 R N -0.506 119.919 120.500 -0.125 0.000 2.080 496 R HA -0.007 4.333 4.340 0.001 0.000 0.222 496 R C 1.883 178.095 176.300 -0.146 0.000 1.107 496 R CA 1.082 57.108 56.100 -0.123 0.000 0.980 496 R CB -0.474 29.756 30.300 -0.118 0.000 0.879 496 R HN 0.283 nan 8.270 nan 0.000 0.439 497 L N 0.903 122.017 121.223 -0.183 0.000 2.456 497 L HA -0.044 4.296 4.340 0.001 0.000 0.224 497 L C 2.623 179.361 176.870 -0.219 0.000 1.148 497 L CA 0.958 55.685 54.840 -0.189 0.000 0.825 497 L CB -0.300 41.631 42.059 -0.212 0.000 0.937 497 L HN 0.424 nan 8.230 nan 0.000 0.450 498 Q N -0.566 119.100 119.800 -0.225 0.000 2.123 498 Q HA -0.111 4.230 4.340 0.001 0.000 0.196 498 Q C 2.365 178.244 176.000 -0.201 0.000 0.958 498 Q CA 1.478 57.113 55.803 -0.281 0.000 0.841 498 Q CB 0.249 28.862 28.738 -0.207 0.000 0.915 498 Q HN 0.408 nan 8.270 nan 0.000 0.455 499 S N 1.134 116.750 115.700 -0.139 0.000 2.368 499 S HA -0.127 4.343 4.470 0.001 0.000 0.224 499 S C 1.732 176.272 174.600 -0.100 0.000 1.029 499 S CA 0.695 58.835 58.200 -0.101 0.000 0.988 499 S CB -0.438 62.716 63.200 -0.078 0.000 0.838 499 S HN 0.353 nan 8.310 nan 0.000 0.462 500 L N 2.468 123.624 121.223 -0.111 0.000 2.011 500 L HA -0.171 4.169 4.340 0.001 0.000 0.225 500 L C 2.209 179.015 176.870 -0.106 0.000 1.084 500 L CA 2.009 56.785 54.840 -0.105 0.000 0.791 500 L CB -1.438 40.555 42.059 -0.111 0.000 0.898 500 L HN 0.206 nan 8.230 nan 0.000 0.440 501 V N 0.647 120.482 119.914 -0.132 0.000 2.229 501 V HA -0.293 3.828 4.120 0.001 0.000 0.243 501 V C 2.705 178.742 176.094 -0.095 0.000 1.042 501 V CA 2.224 64.452 62.300 -0.120 0.000 1.000 501 V CB -0.746 30.980 31.823 -0.161 0.000 0.637 501 V HN 0.622 nan 8.190 nan 0.000 0.446 502 K N -0.240 120.101 120.400 -0.097 0.000 2.103 502 K HA -0.257 4.063 4.320 0.001 0.000 0.207 502 K C 2.172 178.743 176.600 -0.049 0.000 1.048 502 K CA 2.360 58.610 56.287 -0.062 0.000 0.930 502 K CB -0.634 31.835 32.500 -0.051 0.000 0.716 502 K HN 0.411 nan 8.250 nan 0.000 0.444 503 T N 0.412 114.934 114.554 -0.053 0.000 2.857 503 T HA 0.017 4.367 4.350 0.001 0.000 0.266 503 T C 1.810 176.485 174.700 -0.042 0.000 1.048 503 T CA 1.043 63.120 62.100 -0.038 0.000 1.139 503 T CB -0.140 68.706 68.868 -0.037 0.000 0.874 503 T HN 0.300 nan 8.240 nan 0.000 0.455 504 I N 0.622 121.156 120.570 -0.061 0.000 2.226 504 I HA -0.120 4.051 4.170 0.001 0.000 0.245 504 I C 2.286 178.368 176.117 -0.059 0.000 1.100 504 I CA 0.962 62.220 61.300 -0.070 0.000 1.374 504 I CB -0.028 37.920 38.000 -0.086 0.000 1.057 504 I HN 0.135 nan 8.210 nan 0.000 0.413 505 V N -0.179 119.698 119.914 -0.062 0.000 2.667 505 V HA -0.234 3.887 4.120 0.001 0.000 0.252 505 V C 2.195 178.268 176.094 -0.034 0.000 1.065 505 V CA 1.383 63.643 62.300 -0.066 0.000 1.083 505 V CB -0.549 31.210 31.823 -0.108 0.000 0.692 505 V HN 0.449 nan 8.190 nan 0.000 0.468 506 Q N 0.411 120.198 119.800 -0.021 0.000 2.230 506 Q HA -0.126 4.214 4.340 0.001 0.000 0.202 506 Q C 2.297 178.312 176.000 0.025 0.000 0.963 506 Q CA 1.663 57.469 55.803 0.005 0.000 0.866 506 Q CB -0.097 28.643 28.738 0.005 0.000 0.931 506 Q HN 0.786 nan 8.270 nan 0.000 0.452 507 S N -0.402 115.309 115.700 0.019 0.000 2.558 507 S HA -0.027 4.444 4.470 0.001 0.000 0.217 507 S C 0.321 174.964 174.600 0.073 0.000 0.975 507 S CA -0.038 58.187 58.200 0.042 0.000 0.912 507 S CB 0.254 63.465 63.200 0.019 0.000 0.776 507 S HN 0.090 nan 8.310 nan 0.000 0.526 508 D N 2.526 122.969 120.400 0.071 0.000 2.411 508 D HA 0.321 4.961 4.640 0.001 0.000 0.225 508 D C 0.856 177.265 176.300 0.181 0.000 1.156 508 D CA -0.134 53.954 54.000 0.146 0.000 0.874 508 D CB 1.209 42.069 40.800 0.101 0.000 1.034 508 D HN 0.288 nan 8.370 nan 0.000 0.502 509 S N 2.686 118.520 115.700 0.223 0.000 2.556 509 S HA -0.048 4.423 4.470 0.001 0.000 0.216 509 S C 1.365 176.113 174.600 0.246 0.000 0.970 509 S CA -0.312 58.002 58.200 0.190 0.000 0.912 509 S CB -0.219 63.075 63.200 0.157 0.000 0.790 509 S HN 0.553 nan 8.310 nan 0.000 0.504 510 Y N 0.967 121.380 120.300 0.188 0.000 2.522 510 Y HA 0.422 4.972 4.550 0.000 0.000 0.277 510 Y C -0.025 176.022 175.900 0.246 0.000 1.104 510 Y CA -0.458 57.735 58.100 0.154 0.000 1.260 510 Y CB 0.286 38.773 38.460 0.045 0.000 1.151 510 Y HN 0.300 nan 8.280 nan 0.000 0.539 511 Y N 2.054 122.379 120.300 0.041 0.000 2.341 511 Y HA 0.362 4.913 4.550 0.001 0.000 0.338 511 Y C -0.926 174.971 175.900 -0.005 0.000 0.965 511 Y CA -2.376 55.688 58.100 -0.060 0.000 1.108 511 Y CB 0.601 39.171 38.460 0.183 0.000 1.180 511 Y HN -0.034 nan 8.280 nan 0.000 0.458 512 D N 4.893 125.108 120.400 -0.309 0.000 2.346 512 D HA 0.003 4.643 4.640 0.001 0.000 0.260 512 D C 1.117 177.005 176.300 -0.687 0.000 1.252 512 D CA 0.443 54.258 54.000 -0.309 0.000 0.895 512 D CB 1.446 42.178 40.800 -0.114 0.000 1.097 512 D HN 0.615 nan 8.370 nan 0.000 0.489 513 V N 5.075 124.638 119.914 -0.586 0.000 2.453 513 V HA -0.266 3.854 4.120 0.001 0.000 0.252 513 V C 1.557 177.300 176.094 -0.585 0.000 1.068 513 V CA 1.669 63.577 62.300 -0.653 0.000 1.070 513 V CB -0.545 30.915 31.823 -0.604 0.000 0.664 513 V HN 0.511 nan 8.190 nan 0.000 0.461 514 F N 0.244 120.041 119.950 -0.255 0.000 2.641 514 F HA 0.039 4.566 4.527 0.001 0.000 0.298 514 F C 2.124 177.831 175.800 -0.156 0.000 1.146 514 F CA 0.880 58.782 58.000 -0.164 0.000 1.464 514 F CB -0.465 38.465 39.000 -0.117 0.000 1.101 514 F HN 0.135 nan 8.300 nan 0.000 0.585 515 K N -0.239 120.091 120.400 -0.115 0.000 2.487 515 K HA -0.034 4.286 4.320 0.001 0.000 0.192 515 K C 0.776 177.405 176.600 0.048 0.000 1.027 515 K CA 0.353 56.619 56.287 -0.035 0.000 1.054 515 K CB -0.106 32.368 32.500 -0.043 0.000 0.824 515 K HN 0.059 nan 8.250 nan 0.000 0.510 516 N N 0.662 119.373 118.700 0.019 0.000 2.365 516 N HA 0.136 4.876 4.740 0.001 0.000 0.257 516 N C -1.288 174.217 175.510 -0.008 0.000 1.287 516 N CA -0.079 53.001 53.050 0.050 0.000 0.882 516 N CB 0.517 39.081 38.487 0.129 0.000 1.250 516 N HN -0.034 nan 8.380 nan 0.000 0.507 517 L N 1.149 122.360 121.223 -0.020 0.000 2.283 517 L HA 0.440 4.780 4.340 0.001 0.000 0.281 517 L C 0.387 177.218 176.870 -0.064 0.000 1.033 517 L CA -0.370 54.448 54.840 -0.036 0.000 0.848 517 L CB 1.212 43.272 42.059 0.001 0.000 1.226 517 L HN -0.162 nan 8.230 nan 0.000 0.429 518 K N 2.300 122.641 120.400 -0.097 0.000 2.965 518 K HA 0.262 4.582 4.320 0.001 0.000 0.216 518 K C -0.031 176.439 176.600 -0.217 0.000 1.164 518 K CA -0.091 56.112 56.287 -0.140 0.000 1.153 518 K CB 0.628 33.067 32.500 -0.101 0.000 1.045 518 K HN 0.596 nan 8.250 nan 0.000 0.460 519 T N -2.789 111.605 114.554 -0.267 0.000 3.559 519 T HA 0.134 4.484 4.350 0.001 0.000 0.391 519 T C -0.034 174.534 174.700 -0.219 0.000 1.522 519 T CA -0.684 61.232 62.100 -0.306 0.000 1.159 519 T CB 0.322 69.080 68.868 -0.184 0.000 1.384 519 T HN 0.162 nan 8.240 nan 0.000 0.475 520 Y N 2.809 123.139 120.300 0.050 0.000 2.352 520 Y HA 0.104 4.655 4.550 0.001 0.000 0.292 520 Y C 2.516 178.423 175.900 0.011 0.000 1.136 520 Y CA 1.133 59.276 58.100 0.070 0.000 1.227 520 Y CB -0.226 38.333 38.460 0.166 0.000 0.991 520 Y HN 0.714 nan 8.280 nan 0.000 0.545 521 K N 0.900 121.365 120.400 0.107 0.000 2.063 521 K HA -0.193 4.127 4.320 0.001 0.000 0.208 521 K C 1.347 177.846 176.600 -0.169 0.000 1.048 521 K CA 2.219 58.411 56.287 -0.159 0.000 0.928 521 K CB -0.259 32.114 32.500 -0.210 0.000 0.713 521 K HN 0.245 nan 8.250 nan 0.000 0.442 522 D N 0.161 120.492 120.400 -0.115 0.000 2.183 522 D HA -0.106 4.534 4.640 0.001 0.000 0.203 522 D C 2.025 178.284 176.300 -0.069 0.000 0.969 522 D CA 1.247 55.169 54.000 -0.130 0.000 0.842 522 D CB -0.027 40.709 40.800 -0.107 0.000 0.957 522 D HN 0.332 nan 8.370 nan 0.000 0.484 523 I N 1.074 121.651 120.570 0.011 0.000 2.133 523 I HA -0.261 3.910 4.170 0.001 0.000 0.238 523 I C 2.736 178.890 176.117 0.061 0.000 1.074 523 I CA 0.887 62.249 61.300 0.104 0.000 1.342 523 I CB -0.399 37.678 38.000 0.128 0.000 1.053 523 I HN -0.055 nan 8.210 nan 0.000 0.404 524 S N 1.276 116.985 115.700 0.015 0.000 2.389 524 S HA -0.257 4.213 4.470 0.001 0.000 0.231 524 S C 2.111 176.670 174.600 -0.068 0.000 1.052 524 S CA 1.756 59.937 58.200 -0.033 0.000 1.053 524 S CB -0.562 62.600 63.200 -0.063 0.000 0.886 524 S HN 0.360 nan 8.310 nan 0.000 0.456 525 L N -0.340 120.799 121.223 -0.140 0.000 2.056 525 L HA -0.047 4.293 4.340 0.001 0.000 0.207 525 L C 2.767 179.550 176.870 -0.145 0.000 1.078 525 L CA 1.592 56.292 54.840 -0.233 0.000 0.749 525 L CB -0.376 41.404 42.059 -0.466 0.000 0.901 525 L HN 0.402 nan 8.230 nan 0.000 0.433 526 M N -0.381 119.182 119.600 -0.061 0.000 2.077 526 M HA -0.203 4.277 4.480 0.001 0.000 0.261 526 M C 2.214 178.609 176.300 0.158 0.000 1.070 526 M CA 1.800 57.134 55.300 0.055 0.000 1.125 526 M CB -0.404 32.227 32.600 0.051 0.000 1.339 526 M HN 0.091 nan 8.290 nan 0.000 0.409 527 Q N -0.998 118.932 119.800 0.217 0.000 2.248 527 Q HA -0.199 4.141 4.340 0.001 0.000 0.208 527 Q C 2.145 178.189 176.000 0.074 0.000 0.984 527 Q CA 1.788 57.679 55.803 0.148 0.000 0.875 527 Q CB -0.433 28.328 28.738 0.038 0.000 0.910 527 Q HN 0.698 nan 8.270 nan 0.000 0.433 528 S N 0.509 116.240 115.700 0.050 0.000 2.348 528 S HA -0.143 4.327 4.470 0.001 0.000 0.221 528 S C 1.888 176.522 174.600 0.057 0.000 1.033 528 S CA 0.791 59.013 58.200 0.037 0.000 1.010 528 S CB -0.286 62.925 63.200 0.019 0.000 0.891 528 S HN 0.364 nan 8.310 nan 0.000 0.442 529 L N 1.118 122.397 121.223 0.092 0.000 1.978 529 L HA -0.161 4.180 4.340 0.001 0.000 0.218 529 L C 2.676 179.576 176.870 0.051 0.000 1.075 529 L CA 1.847 56.734 54.840 0.078 0.000 0.767 529 L CB -0.877 41.242 42.059 0.098 0.000 0.890 529 L HN 0.389 nan 8.230 nan 0.000 0.434 530 L N -0.455 120.809 121.223 0.068 0.000 2.191 530 L HA -0.173 4.167 4.340 0.001 0.000 0.212 530 L C 2.888 179.785 176.870 0.045 0.000 1.103 530 L CA 1.360 56.237 54.840 0.062 0.000 0.769 530 L CB -0.715 41.408 42.059 0.108 0.000 0.908 530 L HN 0.439 nan 8.230 nan 0.000 0.438 531 S N -1.025 114.699 115.700 0.041 0.000 2.345 531 S HA -0.154 4.317 4.470 0.001 0.000 0.219 531 S C 1.102 175.712 174.600 0.016 0.000 1.031 531 S CA 0.358 58.571 58.200 0.023 0.000 0.984 531 S CB -0.323 62.886 63.200 0.014 0.000 0.874 531 S HN 0.351 nan 8.310 nan 0.000 0.451 532 D N 1.973 122.384 120.400 0.018 0.000 2.356 532 D HA 0.286 4.926 4.640 0.001 0.000 0.272 532 D C 0.820 177.124 176.300 0.006 0.000 1.337 532 D CA 0.473 54.480 54.000 0.011 0.000 0.970 532 D CB 0.923 41.731 40.800 0.014 0.000 1.092 532 D HN 0.447 nan 8.370 nan 0.000 0.516 533 A N 3.192 126.014 122.820 0.004 0.000 2.235 533 A HA 0.139 4.459 4.320 0.001 0.000 0.208 533 A C 1.966 179.548 177.584 -0.003 0.000 1.172 533 A CA 0.737 52.775 52.037 0.001 0.000 0.786 533 A CB 0.051 19.052 19.000 0.002 0.000 0.804 533 A HN 0.584 nan 8.150 nan 0.000 0.479 534 G N -0.576 108.221 108.800 -0.004 0.000 2.448 534 G HA2 0.145 4.106 3.960 0.001 0.000 0.218 534 G HA3 0.145 4.106 3.960 0.001 0.000 0.218 534 G C 0.550 175.442 174.900 -0.014 0.000 1.135 534 G CA 0.631 45.726 45.100 -0.008 0.000 0.784 534 G HN 0.260 nan 8.290 nan 0.000 0.543 535 V N 2.111 122.015 119.914 -0.016 0.000 2.387 535 V HA 0.523 4.643 4.120 0.001 0.000 0.260 535 V C 0.826 176.906 176.094 -0.023 0.000 1.054 535 V CA -0.916 61.368 62.300 -0.027 0.000 0.967 535 V CB 0.236 32.038 31.823 -0.035 0.000 1.036 535 V HN 0.415 nan 8.190 nan 0.000 0.481 536 A N 4.594 127.399 122.820 -0.025 0.000 2.477 536 A HA 0.410 4.731 4.320 0.001 0.000 0.246 536 A C 0.727 178.297 177.584 -0.023 0.000 1.078 536 A CA 0.194 52.219 52.037 -0.020 0.000 0.770 536 A CB 0.366 19.355 19.000 -0.019 0.000 1.011 536 A HN 0.747 nan 8.150 nan 0.000 0.494 537 S N 0.168 115.859 115.700 -0.015 0.000 2.593 537 S HA 0.510 4.980 4.470 0.001 0.000 0.269 537 S C -0.305 174.288 174.600 -0.013 0.000 1.334 537 S CA -0.097 58.094 58.200 -0.015 0.000 1.015 537 S CB 0.204 63.402 63.200 -0.004 0.000 0.912 537 S HN 1.217 nan 8.310 nan 0.000 0.541 538 V N 3.882 123.787 119.914 -0.013 0.000 2.653 538 V HA 0.372 4.492 4.120 0.001 0.000 0.298 538 V C -2.616 173.479 176.094 0.002 0.000 1.097 538 V CA -1.793 60.502 62.300 -0.007 0.000 0.908 538 V CB 0.872 32.684 31.823 -0.017 0.000 1.024 538 V HN 0.700 nan 8.190 nan 0.000 0.435 539 P HA 0.180 nan 4.420 nan 0.000 0.267 539 P C -0.350 176.977 177.300 0.044 0.000 1.201 539 P CA 0.031 63.156 63.100 0.040 0.000 0.775 539 P CB 0.436 32.168 31.700 0.053 0.000 0.854 540 R N 0.331 120.874 120.500 0.072 0.000 2.368 540 R HA 0.457 4.798 4.340 0.001 0.000 0.302 540 R C 0.462 176.857 176.300 0.159 0.000 1.002 540 R CA -0.692 55.460 56.100 0.087 0.000 0.929 540 R CB 0.419 30.756 30.300 0.060 0.000 1.073 540 R HN 0.345 nan 8.270 nan 0.000 0.464 541 T N 0.993 115.628 114.554 0.135 0.000 2.860 541 T HA 0.058 4.408 4.350 0.001 0.000 0.299 541 T C 0.333 175.179 174.700 0.243 0.000 1.045 541 T CA -0.250 61.936 62.100 0.144 0.000 1.071 541 T CB 0.622 69.547 68.868 0.094 0.000 0.985 541 T HN 0.575 nan 8.240 nan 0.000 0.537 542 S N 2.406 118.198 115.700 0.153 0.000 2.563 542 S HA 0.354 4.824 4.470 0.001 0.000 0.284 542 S C -0.791 173.926 174.600 0.194 0.000 1.331 542 S CA 0.013 58.275 58.200 0.102 0.000 1.047 542 S CB -0.292 62.890 63.200 -0.030 0.000 0.859 542 S HN 0.708 nan 8.310 nan 0.000 0.514 543 Y N -0.100 120.231 120.300 0.052 0.000 2.592 543 Y HA 0.729 5.279 4.550 -0.000 0.000 0.334 543 Y C -1.664 174.249 175.900 0.022 0.000 1.136 543 Y CA -1.353 56.766 58.100 0.031 0.000 1.042 543 Y CB 1.068 39.553 38.460 0.041 0.000 1.325 543 Y HN 0.516 nan 8.280 nan 0.000 0.457 544 L N 3.201 124.473 121.223 0.083 0.000 2.439 544 L HA 0.673 5.013 4.340 0.001 0.000 0.270 544 L C -1.330 175.543 176.870 0.004 0.000 0.972 544 L CA -0.501 54.334 54.840 -0.009 0.000 0.836 544 L CB 2.015 44.043 42.059 -0.050 0.000 1.255 544 L HN 0.880 nan 8.230 nan 0.000 0.404 545 S N 3.737 119.407 115.700 -0.050 0.000 2.566 545 S HA 0.537 5.007 4.470 0.001 0.000 0.324 545 S C 0.088 174.318 174.600 -0.616 0.000 1.081 545 S CA -0.476 57.483 58.200 -0.402 0.000 1.105 545 S CB 1.612 64.488 63.200 -0.539 0.000 0.981 545 S HN 0.667 nan 8.310 nan 0.000 0.464 546 A N 3.277 125.794 122.820 -0.505 0.000 2.923 546 A HA 0.492 4.812 4.320 0.001 0.000 0.306 546 A C -0.324 177.043 177.584 -0.362 0.000 1.542 546 A CA -0.500 51.327 52.037 -0.350 0.000 1.225 546 A CB -0.878 17.958 19.000 -0.272 0.000 1.147 546 A HN 0.695 nan 8.150 nan 0.000 0.542 547 F N 1.810 121.730 119.950 -0.049 0.000 2.678 547 F HA 0.080 4.608 4.527 0.001 0.000 0.358 547 F C 1.249 176.993 175.800 -0.093 0.000 1.256 547 F CA -0.322 57.643 58.000 -0.059 0.000 1.278 547 F CB -0.427 38.549 39.000 -0.040 0.000 1.681 547 F HN 0.489 nan 8.300 nan 0.000 0.661 548 N N 1.243 119.934 118.700 -0.015 0.000 2.216 548 N HA -0.121 4.619 4.740 0.001 0.000 0.183 548 N C 1.764 177.251 175.510 -0.039 0.000 1.017 548 N CA 0.834 53.864 53.050 -0.035 0.000 0.861 548 N CB 0.034 38.460 38.487 -0.100 0.000 0.986 548 N HN 0.302 nan 8.380 nan 0.000 0.428 549 K N 0.891 121.231 120.400 -0.100 0.000 2.519 549 K HA -0.046 4.274 4.320 0.001 0.000 0.196 549 K C 1.534 177.930 176.600 -0.339 0.000 1.041 549 K CA 0.566 56.686 56.287 -0.277 0.000 0.954 549 K CB -0.074 32.089 32.500 -0.562 0.000 0.774 549 K HN 0.483 nan 8.250 nan 0.000 0.480 550 M N -2.678 116.817 119.600 -0.175 0.000 2.268 550 M HA 0.206 4.686 4.480 0.001 0.000 0.355 550 M C -0.991 175.289 176.300 -0.034 0.000 0.938 550 M CA 0.148 55.369 55.300 -0.131 0.000 1.025 550 M CB 0.957 33.463 32.600 -0.158 0.000 1.773 550 M HN -0.173 nan 8.290 nan 0.000 0.613 551 D N 1.028 121.431 120.400 0.004 0.000 3.090 551 D HA -0.094 4.546 4.640 0.001 0.000 0.215 551 D C -0.821 175.504 176.300 0.041 0.000 1.140 551 D CA 0.865 54.882 54.000 0.029 0.000 0.937 551 D CB -0.641 40.190 40.800 0.051 0.000 1.108 551 D HN 0.480 nan 8.370 nan 0.000 0.420 552 K N 0.705 121.150 120.400 0.074 0.000 2.164 552 K HA 0.576 4.896 4.320 0.001 0.000 0.258 552 K C 0.271 176.978 176.600 0.178 0.000 0.951 552 K CA -0.254 56.090 56.287 0.096 0.000 0.844 552 K CB 1.939 34.481 32.500 0.070 0.000 1.099 552 K HN -0.130 nan 8.250 nan 0.000 0.435 553 T N 0.563 115.192 114.554 0.125 0.000 2.885 553 T HA 0.656 5.006 4.350 0.001 0.000 0.285 553 T C -0.729 174.091 174.700 0.200 0.000 1.019 553 T CA -0.722 61.459 62.100 0.136 0.000 1.010 553 T CB 1.792 70.698 68.868 0.064 0.000 1.022 553 T HN 0.606 nan 8.240 nan 0.000 0.466 554 A N 2.939 125.885 122.820 0.209 0.000 2.365 554 A HA 0.916 5.236 4.320 0.001 0.000 0.318 554 A C -0.724 176.939 177.584 0.132 0.000 1.091 554 A CA -0.868 51.319 52.037 0.250 0.000 0.763 554 A CB 1.364 20.622 19.000 0.430 0.000 1.248 554 A HN 0.915 nan 8.150 nan 0.000 0.442 555 M N 2.359 122.018 119.600 0.097 0.000 2.322 555 M HA 0.595 5.075 4.480 0.001 0.000 0.285 555 M C -2.618 173.578 176.300 -0.174 0.000 1.119 555 M CA -0.444 54.804 55.300 -0.085 0.000 0.953 555 M CB 1.846 34.510 32.600 0.106 0.000 1.701 555 M HN 0.821 nan 8.290 nan 0.000 0.479 556 Y N 3.740 123.624 120.300 -0.693 0.000 2.373 556 Y HA 0.530 5.080 4.550 0.000 0.000 0.336 556 Y C -1.330 174.249 175.900 -0.535 0.000 0.979 556 Y CA -0.706 57.053 58.100 -0.567 0.000 1.080 556 Y CB 1.451 39.615 38.460 -0.492 0.000 1.190 556 Y HN 0.809 nan 8.280 nan 0.000 0.446 557 N N 3.681 121.629 118.700 -1.255 0.000 2.444 557 N HA 0.391 5.132 4.740 0.001 0.000 0.271 557 N C 0.277 175.161 175.510 -1.042 0.000 1.069 557 N CA 0.643 53.094 53.050 -0.999 0.000 0.965 557 N CB 1.935 39.795 38.487 -1.045 0.000 1.092 557 N HN 0.897 nan 8.380 nan 0.000 0.476 558 A N 3.758 126.297 122.820 -0.468 0.000 1.878 558 A HA -0.092 4.228 4.320 0.001 0.000 0.213 558 A C 1.754 179.263 177.584 -0.124 0.000 1.192 558 A CA 1.258 53.184 52.037 -0.185 0.000 0.619 558 A CB -0.621 18.387 19.000 0.014 0.000 0.837 558 A HN 0.871 nan 8.150 nan 0.000 0.446 559 E N 0.117 120.255 120.200 -0.104 0.000 2.118 559 E HA -0.226 4.125 4.350 0.001 0.000 0.195 559 E C 1.349 177.940 176.600 -0.015 0.000 0.992 559 E CA 1.513 57.891 56.400 -0.037 0.000 0.804 559 E CB -0.209 29.479 29.700 -0.020 0.000 0.741 559 E HN 0.524 nan 8.360 nan 0.000 0.458 560 K N -0.553 119.825 120.400 -0.037 0.000 2.355 560 K HA 0.135 4.455 4.320 0.001 0.000 0.198 560 K C 0.834 177.480 176.600 0.076 0.000 1.039 560 K CA 0.491 56.825 56.287 0.078 0.000 1.075 560 K CB 1.152 33.798 32.500 0.243 0.000 0.870 560 K HN 0.334 nan 8.250 nan 0.000 0.540 561 G N 2.956 111.684 108.800 -0.119 0.000 2.221 561 G HA2 -0.273 3.688 3.960 0.001 0.000 0.265 561 G HA3 -0.273 3.688 3.960 0.001 0.000 0.265 561 G C -0.137 174.801 174.900 0.063 0.000 1.041 561 G CA 0.634 45.698 45.100 -0.060 0.000 0.807 561 G HN 0.390 nan 8.290 nan 0.000 0.502 562 F N -0.358 119.495 119.950 -0.161 0.000 2.522 562 F HA 0.873 5.400 4.527 0.000 0.000 0.324 562 F C 0.383 176.272 175.800 0.148 0.000 1.077 562 F CA -1.429 56.614 58.000 0.071 0.000 0.944 562 F CB 1.379 40.428 39.000 0.081 0.000 1.175 562 F HN 0.303 nan 8.300 nan 0.000 0.468 563 G N 1.386 110.542 108.800 0.593 0.000 2.509 563 G HA2 0.653 4.613 3.960 0.001 0.000 0.328 563 G HA3 0.653 4.613 3.960 0.001 0.000 0.328 563 G C -2.391 173.009 174.900 0.834 0.000 1.194 563 G CA -0.854 44.605 45.100 0.598 0.000 0.967 563 G HN 0.882 nan 8.290 nan 0.000 0.488 564 F N -0.071 120.178 119.950 0.499 0.000 2.623 564 F HA 0.589 5.117 4.527 0.001 0.000 0.323 564 F C -0.155 175.875 175.800 0.384 0.000 1.158 564 F CA -0.508 57.787 58.000 0.491 0.000 1.030 564 F CB 1.749 41.004 39.000 0.425 0.000 1.280 564 F HN 0.841 nan 8.300 nan 0.000 0.474 565 G N 4.544 113.208 108.800 -0.226 0.000 2.571 565 G HA2 0.606 4.567 3.960 0.001 0.000 0.304 565 G HA3 0.606 4.567 3.960 0.001 0.000 0.304 565 G C -2.574 172.133 174.900 -0.323 0.000 1.314 565 G CA -0.770 44.266 45.100 -0.106 0.000 0.975 565 G HN 0.628 nan 8.290 nan 0.000 0.485 566 L N 2.007 123.156 121.223 -0.123 0.000 2.457 566 L HA 0.499 4.839 4.340 0.001 0.000 0.252 566 L C 0.487 177.307 176.870 -0.082 0.000 1.132 566 L CA -0.897 53.843 54.840 -0.166 0.000 0.938 566 L CB 1.100 43.030 42.059 -0.215 0.000 1.246 566 L HN 0.434 nan 8.230 nan 0.000 0.476 567 S N 4.729 120.456 115.700 0.045 0.000 2.457 567 S HA 0.473 4.943 4.470 0.001 0.000 0.294 567 S C 0.074 174.711 174.600 0.062 0.000 1.201 567 S CA -0.162 58.093 58.200 0.092 0.000 1.112 567 S CB -0.517 62.814 63.200 0.218 0.000 1.018 567 S HN 0.539 nan 8.310 nan 0.000 0.511 568 L N 4.151 125.406 121.223 0.053 0.000 2.391 568 L HA 0.860 5.201 4.340 0.001 0.000 0.266 568 L C -0.488 176.566 176.870 0.306 0.000 1.035 568 L CA -1.304 53.609 54.840 0.122 0.000 0.877 568 L CB 1.034 43.091 42.059 -0.004 0.000 1.504 568 L HN 0.679 nan 8.230 nan 0.000 0.503 569 F N -1.516 118.449 119.950 0.025 0.000 2.693 569 F HA 0.730 5.254 4.527 -0.006 0.000 0.309 569 F C -0.617 175.221 175.800 0.064 0.000 1.129 569 F CA -0.877 57.146 58.000 0.039 0.000 0.948 569 F CB 0.906 39.941 39.000 0.058 0.000 1.315 569 F HN 0.485 nan 8.300 nan 0.000 0.447 570 S N -0.071 115.594 115.700 -0.059 0.000 2.855 570 S HA 0.516 4.986 4.470 0.001 0.000 0.308 570 S C 0.506 175.079 174.600 -0.045 0.000 1.077 570 S CA 0.029 58.155 58.200 -0.123 0.000 0.896 570 S CB 0.690 63.869 63.200 -0.034 0.000 1.339 570 S HN 1.356 nan 8.310 nan 0.000 0.602 571 S N -0.252 115.448 115.700 -0.001 0.000 2.603 571 S HA 0.123 4.594 4.470 0.001 0.000 0.220 571 S C 1.118 175.758 174.600 0.065 0.000 0.967 571 S CA -0.305 57.926 58.200 0.052 0.000 0.920 571 S CB -0.521 62.707 63.200 0.046 0.000 0.773 571 S HN 0.673 nan 8.310 nan 0.000 0.529 572 R N 0.955 121.488 120.500 0.055 0.000 2.307 572 R HA 0.201 4.542 4.340 0.001 0.000 0.200 572 R C 0.296 176.626 176.300 0.050 0.000 0.893 572 R CA 0.732 56.859 56.100 0.046 0.000 1.042 572 R CB 0.230 30.545 30.300 0.024 0.000 1.059 572 R HN 0.555 nan 8.270 nan 0.000 0.530 573 T N -1.427 113.181 114.554 0.090 0.000 2.906 573 T HA 0.511 4.861 4.350 0.001 0.000 0.295 573 T C -0.753 174.063 174.700 0.194 0.000 1.075 573 T CA -0.896 61.258 62.100 0.089 0.000 1.005 573 T CB 2.060 70.960 68.868 0.054 0.000 1.136 573 T HN -0.131 nan 8.240 nan 0.000 0.498 574 L N 2.672 123.936 121.223 0.069 0.000 2.334 574 L HA 0.397 4.738 4.340 0.001 0.000 0.277 574 L C 1.361 178.150 176.870 -0.135 0.000 1.075 574 L CA -0.370 54.472 54.840 0.003 0.000 0.804 574 L CB 1.021 43.025 42.059 -0.093 0.000 1.174 574 L HN 0.910 nan 8.230 nan 0.000 0.438 575 N N 2.032 120.467 118.700 -0.442 0.000 2.188 575 N HA -0.086 4.654 4.740 0.001 0.000 0.184 575 N C -0.716 174.697 175.510 -0.162 0.000 1.018 575 N CA 1.376 53.984 53.050 -0.736 0.000 0.858 575 N CB -0.260 37.492 38.487 -1.226 0.000 0.989 575 N HN 0.538 nan 8.380 nan 0.000 0.426 576 Y N -2.650 117.475 120.300 -0.293 0.000 2.465 576 Y HA 0.500 5.056 4.550 0.010 0.000 0.323 576 Y C -1.493 174.305 175.900 -0.169 0.000 1.191 576 Y CA -1.836 56.128 58.100 -0.227 0.000 1.082 576 Y CB 0.297 38.616 38.460 -0.235 0.000 1.334 576 Y HN 0.035 nan 8.280 nan 0.000 0.449 577 E N 3.398 123.412 120.200 -0.310 0.000 2.249 577 E HA 0.262 4.612 4.350 0.001 0.000 0.280 577 E C -1.383 175.073 176.600 -0.241 0.000 1.016 577 E CA -0.642 55.576 56.400 -0.304 0.000 0.830 577 E CB 0.679 30.306 29.700 -0.122 0.000 1.081 577 E HN 0.822 nan 8.360 nan 0.000 0.395 578 H N 5.660 124.503 119.070 -0.379 0.000 2.569 578 H HA 0.263 4.817 4.556 -0.003 0.000 0.247 578 H C -1.253 173.983 175.328 -0.153 0.000 1.346 578 H CA -0.708 55.190 56.048 -0.249 0.000 1.502 578 H CB 0.517 30.100 29.762 -0.297 0.000 1.512 578 H HN 0.528 nan 8.280 nan 0.000 0.502 579 M N 2.218 121.699 119.600 -0.199 0.000 2.613 579 M HA 0.204 4.685 4.480 0.001 0.000 0.301 579 M C 0.544 176.712 176.300 -0.220 0.000 1.205 579 M CA -0.172 55.007 55.300 -0.203 0.000 0.950 579 M CB 0.971 33.523 32.600 -0.081 0.000 1.585 579 M HN 0.571 nan 8.290 nan 0.000 0.490 580 N N 1.886 120.478 118.700 -0.180 0.000 2.693 580 N HA -0.238 4.502 4.740 0.001 0.000 0.250 580 N C -0.944 174.480 175.510 -0.144 0.000 1.033 580 N CA 1.317 54.279 53.050 -0.146 0.000 0.747 580 N CB -1.496 36.906 38.487 -0.141 0.000 0.964 580 N HN 0.730 nan 8.380 nan 0.000 0.540 581 K N -1.169 119.098 120.400 -0.221 0.000 3.156 581 K HA -0.240 4.080 4.320 0.001 0.000 0.266 581 K C -0.730 175.858 176.600 -0.020 0.000 0.966 581 K CA 1.115 57.318 56.287 -0.140 0.000 0.719 581 K CB -0.837 31.638 32.500 -0.041 0.000 1.333 581 K HN 0.526 nan 8.250 nan 0.000 0.468 582 E N 0.812 120.997 120.200 -0.025 0.000 2.234 582 E HA 0.266 4.617 4.350 0.001 0.000 0.266 582 E C -0.706 175.987 176.600 0.155 0.000 0.877 582 E CA -1.220 55.208 56.400 0.047 0.000 0.758 582 E CB 1.449 31.138 29.700 -0.019 0.000 1.170 582 E HN 0.269 nan 8.360 nan 0.000 0.415 583 N N 2.563 121.320 118.700 0.095 0.000 2.623 583 N HA -0.149 4.591 4.740 0.001 0.000 0.271 583 N C -0.504 174.984 175.510 -0.037 0.000 1.206 583 N CA 0.532 53.591 53.050 0.014 0.000 0.666 583 N CB -0.379 38.112 38.487 0.008 0.000 0.887 583 N HN 0.548 nan 8.380 nan 0.000 0.554 584 K N 0.900 121.164 120.400 -0.227 0.000 2.358 584 K HA 0.228 4.548 4.320 0.001 0.000 0.200 584 K C 0.609 176.715 176.600 -0.824 0.000 1.030 584 K CA 0.103 56.090 56.287 -0.499 0.000 1.097 584 K CB 0.754 33.132 32.500 -0.204 0.000 0.862 584 K HN 0.332 nan 8.250 nan 0.000 0.534 585 R N 0.399 120.281 120.500 -1.029 0.000 2.616 585 R HA 0.110 4.450 4.340 0.001 0.000 0.427 585 R C 0.608 176.003 176.300 -1.508 0.000 1.030 585 R CA -0.125 54.847 56.100 -1.880 0.000 1.133 585 R CB 1.354 31.057 30.300 -0.996 0.000 1.444 585 R HN 0.037 nan 8.270 nan 0.000 0.578 586 G N 0.086 108.171 108.800 -1.191 0.000 3.562 586 G HA2 -0.022 3.939 3.960 0.001 0.000 0.279 586 G HA3 -0.022 3.939 3.960 0.001 0.000 0.279 586 G C 0.613 174.803 174.900 -1.184 0.000 1.314 586 G CA -0.437 44.180 45.100 -0.805 0.000 1.189 586 G HN 0.261 nan 8.290 nan 0.000 0.562 587 W N 0.171 120.760 121.300 -1.184 0.000 2.332 587 W HA -0.087 4.569 4.660 -0.006 0.000 0.321 587 W C 0.910 176.916 176.519 -0.855 0.000 1.219 587 W CA 0.804 57.285 57.345 -1.440 0.000 1.277 587 W CB -0.650 27.898 29.460 -1.520 0.000 1.161 587 W HN 0.412 nan 8.180 nan 0.000 0.476 588 Y N 0.932 121.208 120.300 -0.040 0.000 2.583 588 Y HA 0.090 4.641 4.550 0.002 0.000 0.294 588 Y C 2.121 178.048 175.900 0.046 0.000 1.170 588 Y CA 0.577 58.713 58.100 0.061 0.000 1.265 588 Y CB -1.333 37.205 38.460 0.131 0.000 1.119 588 Y HN -0.118 nan 8.280 nan 0.000 0.522 589 T N -4.895 109.695 114.554 0.059 0.000 3.160 589 T HA 0.002 4.352 4.350 0.001 0.000 0.257 589 T C 1.249 176.026 174.700 0.128 0.000 1.147 589 T CA 0.956 63.124 62.100 0.114 0.000 1.064 589 T CB -0.135 68.806 68.868 0.122 0.000 0.949 589 T HN 0.167 nan 8.240 nan 0.000 0.526 590 S N 0.510 116.270 115.700 0.101 0.000 2.733 590 S HA 0.211 4.681 4.470 0.001 0.000 0.247 590 S C -0.005 174.781 174.600 0.310 0.000 1.043 590 S CA -0.455 57.833 58.200 0.146 0.000 1.066 590 S CB 0.342 63.550 63.200 0.013 0.000 1.045 590 S HN 0.315 nan 8.310 nan 0.000 0.586 591 D N 2.243 122.831 120.400 0.313 0.000 2.934 591 D HA 0.389 5.029 4.640 0.001 0.000 0.237 591 D C 1.170 177.537 176.300 0.113 0.000 1.158 591 D CA 0.339 54.538 54.000 0.331 0.000 0.971 591 D CB -0.371 40.791 40.800 0.602 0.000 1.123 591 D HN 0.462 nan 8.370 nan 0.000 0.467 592 G N 1.259 110.150 108.800 0.153 0.000 2.136 592 G HA2 -0.323 3.637 3.960 0.001 0.000 0.242 592 G HA3 -0.323 3.637 3.960 0.001 0.000 0.242 592 G C 0.536 175.628 174.900 0.319 0.000 0.989 592 G CA 0.122 45.406 45.100 0.306 0.000 0.682 592 G HN 0.444 nan 8.290 nan 0.000 0.522 593 M N 0.166 119.891 119.600 0.208 0.000 2.252 593 M HA 0.553 5.034 4.480 0.001 0.000 0.333 593 M C 0.421 176.797 176.300 0.127 0.000 1.111 593 M CA 0.001 55.387 55.300 0.144 0.000 1.140 593 M CB 0.220 32.846 32.600 0.044 0.000 1.538 593 M HN 0.615 nan 8.290 nan 0.000 0.448 594 F N 3.509 123.410 119.950 -0.081 0.000 2.588 594 F HA 0.652 5.179 4.527 -0.000 0.000 0.314 594 F C -2.444 173.145 175.800 -0.352 0.000 1.069 594 F CA -0.993 56.913 58.000 -0.158 0.000 0.931 594 F CB 1.217 40.292 39.000 0.125 0.000 1.260 594 F HN 0.460 nan 8.300 nan 0.000 0.465 595 Y N 4.146 124.137 120.300 -0.516 0.000 2.338 595 Y HA 0.561 5.110 4.550 -0.001 0.000 0.333 595 Y C -0.737 175.015 175.900 -0.247 0.000 0.968 595 Y CA -1.013 56.704 58.100 -0.638 0.000 1.123 595 Y CB 1.870 39.910 38.460 -0.700 0.000 1.165 595 Y HN 0.839 nan 8.280 nan 0.000 0.452 596 L N 3.666 124.913 121.223 0.041 0.000 2.357 596 L HA 0.527 4.868 4.340 0.001 0.000 0.273 596 L C -1.652 175.196 176.870 -0.036 0.000 1.080 596 L CA -0.417 54.604 54.840 0.302 0.000 0.803 596 L CB 0.533 42.818 42.059 0.377 0.000 1.174 596 L HN 0.553 nan 8.230 nan 0.000 0.443 597 Y N 4.645 125.158 120.300 0.354 0.000 2.749 597 Y HA 0.350 4.900 4.550 -0.000 0.000 0.343 597 Y C 0.014 176.062 175.900 0.247 0.000 1.015 597 Y CA -0.984 57.276 58.100 0.267 0.000 1.270 597 Y CB 0.254 38.908 38.460 0.323 0.000 1.097 597 Y HN 0.782 nan 8.280 nan 0.000 0.571 598 N N -0.299 118.533 118.700 0.220 0.000 2.547 598 N HA 0.281 5.021 4.740 0.001 0.000 0.301 598 N C 1.554 177.166 175.510 0.170 0.000 1.328 598 N CA -0.054 53.113 53.050 0.195 0.000 0.932 598 N CB -0.256 38.288 38.487 0.096 0.000 1.104 598 N HN 0.420 nan 8.380 nan 0.000 0.548 599 G N -1.911 106.961 108.800 0.120 0.000 2.650 599 G HA2 -0.128 3.833 3.960 0.001 0.000 0.214 599 G HA3 -0.128 3.833 3.960 0.001 0.000 0.214 599 G C 0.008 174.939 174.900 0.051 0.000 1.136 599 G CA 0.368 45.528 45.100 0.100 0.000 0.789 599 G HN 0.718 nan 8.290 nan 0.000 0.536 600 D N 0.713 121.124 120.400 0.019 0.000 2.398 600 D HA 0.147 4.787 4.640 0.001 0.000 0.250 600 D C 1.408 177.662 176.300 -0.077 0.000 1.287 600 D CA -0.393 53.581 54.000 -0.042 0.000 0.992 600 D CB 0.527 41.316 40.800 -0.018 0.000 1.071 600 D HN -0.078 nan 8.370 nan 0.000 0.514 601 L N 2.851 123.994 121.223 -0.133 0.000 2.217 601 L HA -0.082 4.258 4.340 0.001 0.000 0.211 601 L C 2.446 178.938 176.870 -0.631 0.000 1.107 601 L CA 1.101 55.818 54.840 -0.206 0.000 0.783 601 L CB -0.648 41.360 42.059 -0.085 0.000 0.919 601 L HN 0.476 nan 8.230 nan 0.000 0.442 602 S N -2.101 113.094 115.700 -0.842 0.000 2.603 602 S HA -0.168 4.302 4.470 0.001 0.000 0.229 602 S C 2.002 176.339 174.600 -0.437 0.000 0.972 602 S CA 0.235 57.878 58.200 -0.927 0.000 0.935 602 S CB -0.752 62.050 63.200 -0.664 0.000 0.769 602 S HN 0.514 nan 8.310 nan 0.000 0.536 603 H N 1.300 120.092 119.070 -0.464 0.000 2.267 603 H HA -0.146 4.410 4.556 0.000 0.000 0.297 603 H C 0.409 175.370 175.328 -0.612 0.000 1.080 603 H CA 2.090 57.803 56.048 -0.559 0.000 1.278 603 H CB -0.420 28.855 29.762 -0.810 0.000 1.365 603 H HN 0.594 nan 8.280 nan 0.000 0.489 604 Y N 0.983 121.153 120.300 -0.217 0.000 2.496 604 Y HA 0.182 4.733 4.550 0.002 0.000 0.313 604 Y C 0.731 176.564 175.900 -0.111 0.000 1.184 604 Y CA -0.199 57.570 58.100 -0.552 0.000 1.275 604 Y CB 0.125 38.332 38.460 -0.422 0.000 1.103 604 Y HN 0.027 nan 8.280 nan 0.000 0.513 605 S N -2.040 113.696 115.700 0.059 0.000 2.900 605 S HA 0.330 4.801 4.470 0.001 0.000 0.320 605 S C -0.394 174.305 174.600 0.165 0.000 1.130 605 S CA -1.010 57.298 58.200 0.181 0.000 0.863 605 S CB 1.193 64.457 63.200 0.107 0.000 1.295 605 S HN 0.126 nan 8.310 nan 0.000 0.596 606 D N 0.597 121.129 120.400 0.220 0.000 2.811 606 D HA -0.031 4.609 4.640 0.001 0.000 0.231 606 D C 0.536 176.967 176.300 0.219 0.000 1.157 606 D CA 1.862 55.984 54.000 0.203 0.000 0.716 606 D CB -1.398 39.473 40.800 0.119 0.000 1.077 606 D HN 1.347 nan 8.370 nan 0.000 0.428 607 G N -1.195 107.814 108.800 0.349 0.000 2.303 607 G HA2 -0.377 3.584 3.960 0.001 0.000 0.260 607 G HA3 -0.377 3.584 3.960 0.001 0.000 0.260 607 G C 0.334 175.275 174.900 0.069 0.000 1.106 607 G CA 0.381 45.618 45.100 0.229 0.000 0.900 607 G HN 0.547 nan 8.290 nan 0.000 0.495 608 Y N -1.013 119.291 120.300 0.007 0.000 2.176 608 Y HA 0.133 4.682 4.550 -0.000 0.000 0.291 608 Y C 2.524 178.334 175.900 -0.150 0.000 1.122 608 Y CA 2.036 60.100 58.100 -0.059 0.000 1.128 608 Y CB -0.234 38.136 38.460 -0.150 0.000 1.005 608 Y HN 0.338 nan 8.280 nan 0.000 0.509 609 W N 1.795 123.079 121.300 -0.025 0.000 2.335 609 W HA -0.172 4.491 4.660 0.004 0.000 0.311 609 W C -0.228 175.993 176.519 -0.496 0.000 1.213 609 W CA 1.717 58.916 57.345 -0.243 0.000 1.274 609 W CB -1.640 27.804 29.460 -0.027 0.000 1.148 609 W HN 0.214 nan 8.180 nan 0.000 0.498 610 P HA -0.131 nan 4.420 nan 0.000 0.216 610 P C 1.343 178.432 177.300 -0.351 0.000 1.153 610 P CA 2.691 65.483 63.100 -0.513 0.000 0.848 610 P CB -0.494 30.684 31.700 -0.871 0.000 0.787 611 T N -3.472 110.889 114.554 -0.321 0.000 3.129 611 T HA 0.144 4.494 4.350 0.001 0.000 0.251 611 T C 0.758 175.196 174.700 -0.435 0.000 1.117 611 T CA -0.285 61.680 62.100 -0.225 0.000 1.034 611 T CB -0.670 68.190 68.868 -0.014 0.000 0.968 611 T HN -0.094 nan 8.240 nan 0.000 0.526 612 V N 2.349 121.861 119.914 -0.671 0.000 2.617 612 V HA 0.415 4.535 4.120 0.001 0.000 0.298 612 V C -0.152 175.576 176.094 -0.611 0.000 1.048 612 V CA -1.203 60.450 62.300 -1.077 0.000 0.964 612 V CB 1.233 32.264 31.823 -1.320 0.000 1.004 612 V HN 0.375 nan 8.190 nan 0.000 0.466 613 N N 6.514 124.881 118.700 -0.555 0.000 2.434 613 N HA 0.170 4.911 4.740 0.001 0.000 0.268 613 N C -1.889 173.571 175.510 -0.084 0.000 1.256 613 N CA -1.263 51.641 53.050 -0.244 0.000 0.914 613 N CB 1.634 40.006 38.487 -0.192 0.000 1.088 613 N HN 0.434 nan 8.380 nan 0.000 0.478 614 P HA -0.026 nan 4.420 nan 0.000 0.222 614 P C 0.749 178.308 177.300 0.432 0.000 1.153 614 P CA 1.093 64.320 63.100 0.212 0.000 0.798 614 P CB 0.132 31.986 31.700 0.256 0.000 0.796 615 Y N 0.384 120.814 120.300 0.217 0.000 2.153 615 Y HA -0.039 4.513 4.550 0.003 0.000 0.289 615 Y C 1.072 177.041 175.900 0.115 0.000 1.127 615 Y CA 0.641 58.889 58.100 0.247 0.000 1.131 615 Y CB -0.331 38.195 38.460 0.110 0.000 0.995 615 Y HN -0.235 nan 8.280 nan 0.000 0.505 616 K N 1.089 121.606 120.400 0.194 0.000 2.222 616 K HA 0.167 4.488 4.320 0.001 0.000 0.243 616 K C -0.926 175.694 176.600 0.033 0.000 1.160 616 K CA -0.135 56.190 56.287 0.063 0.000 1.090 616 K CB 0.167 32.669 32.500 0.003 0.000 1.694 616 K HN 0.031 nan 8.250 nan 0.000 0.361 617 M N 2.956 122.601 119.600 0.076 0.000 2.209 617 M HA 0.284 4.764 4.480 0.001 0.000 0.355 617 M C -2.369 173.959 176.300 0.046 0.000 1.171 617 M CA -2.435 52.897 55.300 0.052 0.000 1.069 617 M CB 0.849 33.526 32.600 0.127 0.000 1.622 617 M HN 0.116 nan 8.290 nan 0.000 0.459 618 P HA 0.083 nan 4.420 nan 0.000 0.263 618 P C 0.657 178.082 177.300 0.208 0.000 1.168 618 P CA 1.306 64.428 63.100 0.037 0.000 0.759 618 P CB 0.381 31.945 31.700 -0.226 0.000 0.782 619 G N 1.553 110.580 108.800 0.378 0.000 2.304 619 G HA2 -0.253 3.708 3.960 0.001 0.000 0.252 619 G HA3 -0.253 3.708 3.960 0.001 0.000 0.252 619 G C 0.375 175.524 174.900 0.415 0.000 1.014 619 G CA 0.591 46.008 45.100 0.528 0.000 0.619 619 G HN 0.862 nan 8.290 nan 0.000 0.525 620 T N -0.615 114.106 114.554 0.279 0.000 2.909 620 T HA 0.603 4.953 4.350 0.001 0.000 0.289 620 T C 0.040 174.852 174.700 0.186 0.000 1.005 620 T CA 0.491 62.752 62.100 0.268 0.000 1.084 620 T CB 1.951 70.951 68.868 0.221 0.000 0.975 620 T HN 0.361 nan 8.240 nan 0.000 0.509 621 T N 3.738 118.465 114.554 0.288 0.000 2.749 621 T HA 0.532 4.882 4.350 0.001 0.000 0.287 621 T C -0.588 174.196 174.700 0.140 0.000 0.970 621 T CA -0.704 61.518 62.100 0.204 0.000 0.980 621 T CB 0.686 69.716 68.868 0.271 0.000 0.924 621 T HN 0.654 nan 8.240 nan 0.000 0.456 622 E N 1.837 122.022 120.200 -0.024 0.000 2.343 622 E HA 0.339 4.690 4.350 0.001 0.000 0.278 622 E C 0.171 176.711 176.600 -0.101 0.000 0.910 622 E CA -0.642 55.659 56.400 -0.166 0.000 0.757 622 E CB 1.855 31.258 29.700 -0.496 0.000 1.218 622 E HN 0.723 nan 8.360 nan 0.000 0.435 623 T N -1.497 113.014 114.554 -0.072 0.000 2.715 623 T HA 0.216 4.566 4.350 0.001 0.000 0.320 623 T C 0.376 175.081 174.700 0.009 0.000 1.046 623 T CA -0.312 61.776 62.100 -0.021 0.000 0.983 623 T CB 0.324 69.187 68.868 -0.009 0.000 1.183 623 T HN 0.470 nan 8.240 nan 0.000 0.522 624 D N -0.504 119.926 120.400 0.050 0.000 2.886 624 D HA 0.458 5.098 4.640 0.001 0.000 0.355 624 D C 0.158 176.538 176.300 0.133 0.000 1.274 624 D CA -0.690 53.378 54.000 0.114 0.000 0.836 624 D CB -0.068 40.786 40.800 0.091 0.000 1.109 624 D HN 0.755 nan 8.370 nan 0.000 0.488 625 A N 1.245 124.157 122.820 0.153 0.000 2.249 625 A HA 0.558 4.879 4.320 0.001 0.000 0.281 625 A C 0.446 178.142 177.584 0.185 0.000 1.127 625 A CA -0.714 51.425 52.037 0.170 0.000 0.833 625 A CB 0.691 19.828 19.000 0.229 0.000 1.140 625 A HN 0.397 nan 8.150 nan 0.000 0.502 626 K N 0.752 121.233 120.400 0.135 0.000 2.206 626 K HA 0.543 4.864 4.320 0.001 0.000 0.264 626 K C -0.945 175.544 176.600 -0.187 0.000 0.967 626 K CA -0.785 55.551 56.287 0.082 0.000 0.844 626 K CB 1.282 33.836 32.500 0.091 0.000 1.099 626 K HN 0.527 nan 8.250 nan 0.000 0.441 627 R N 1.374 121.538 120.500 -0.560 0.000 2.536 627 R HA 0.469 4.809 4.340 0.001 0.000 0.279 627 R C -0.046 175.937 176.300 -0.528 0.000 1.001 627 R CA -0.672 54.828 56.100 -0.999 0.000 1.027 627 R CB 1.372 30.280 30.300 -2.320 0.000 1.096 627 R HN 0.879 nan 8.270 nan 0.000 0.502 628 A N 0.731 123.337 122.820 -0.358 0.000 2.242 628 A HA 0.295 4.616 4.320 0.001 0.000 0.304 628 A C 0.153 177.816 177.584 0.133 0.000 1.100 628 A CA -0.437 51.561 52.037 -0.065 0.000 0.860 628 A CB 0.395 19.380 19.000 -0.025 0.000 1.168 628 A HN 0.639 nan 8.150 nan 0.000 0.503 629 D N -0.197 120.303 120.400 0.166 0.000 2.350 629 D HA -0.009 4.631 4.640 0.001 0.000 0.213 629 D C 1.710 178.067 176.300 0.096 0.000 1.031 629 D CA 1.351 55.447 54.000 0.161 0.000 0.861 629 D CB 0.113 40.981 40.800 0.113 0.000 0.926 629 D HN 0.521 nan 8.370 nan 0.000 0.520 630 S N -0.066 115.709 115.700 0.125 0.000 2.593 630 S HA 0.005 4.476 4.470 0.001 0.000 0.217 630 S C 0.547 175.244 174.600 0.162 0.000 0.966 630 S CA -0.414 57.885 58.200 0.165 0.000 0.914 630 S CB 0.179 63.447 63.200 0.114 0.000 0.776 630 S HN -0.117 nan 8.310 nan 0.000 0.523 631 D N 2.697 123.176 120.400 0.131 0.000 2.371 631 D HA 0.404 5.045 4.640 0.001 0.000 0.242 631 D C 0.161 176.571 176.300 0.183 0.000 1.218 631 D CA 0.461 54.544 54.000 0.139 0.000 0.945 631 D CB 0.747 41.602 40.800 0.092 0.000 1.137 631 D HN 0.307 nan 8.370 nan 0.000 0.464 632 T N -1.494 113.145 114.554 0.142 0.000 2.907 632 T HA 0.628 4.978 4.350 0.001 0.000 0.292 632 T C 0.403 175.071 174.700 -0.053 0.000 1.043 632 T CA -1.162 60.947 62.100 0.016 0.000 1.003 632 T CB 1.654 70.537 68.868 0.025 0.000 1.084 632 T HN 0.338 nan 8.240 nan 0.000 0.483 633 G N 2.017 110.604 108.800 -0.354 0.000 2.340 633 G HA2 0.423 4.383 3.960 0.001 0.000 0.245 633 G HA3 0.423 4.383 3.960 0.001 0.000 0.245 633 G C -0.161 174.712 174.900 -0.045 0.000 1.294 633 G CA -0.279 44.648 45.100 -0.289 0.000 0.896 633 G HN 0.464 nan 8.290 nan 0.000 0.522 634 K N 0.094 120.533 120.400 0.065 0.000 2.312 634 K HA 0.653 4.974 4.320 0.001 0.000 0.236 634 K C 0.066 176.790 176.600 0.207 0.000 1.079 634 K CA -0.690 55.683 56.287 0.143 0.000 0.900 634 K CB 1.907 34.547 32.500 0.233 0.000 1.297 634 K HN 0.492 nan 8.250 nan 0.000 0.498 635 V N -1.069 119.027 119.914 0.304 0.000 3.103 635 V HA 0.505 4.626 4.120 0.001 0.000 0.318 635 V C -0.408 175.962 176.094 0.459 0.000 1.114 635 V CA -1.059 61.513 62.300 0.454 0.000 1.020 635 V CB 1.629 33.604 31.823 0.254 0.000 1.085 635 V HN 0.500 nan 8.190 nan 0.000 0.446 636 L N 2.794 124.188 121.223 0.285 0.000 2.453 636 L HA 0.540 4.881 4.340 0.001 0.000 0.261 636 L C -1.539 175.399 176.870 0.113 0.000 1.179 636 L CA -0.993 53.906 54.840 0.099 0.000 0.813 636 L CB 0.768 42.713 42.059 -0.190 0.000 1.110 636 L HN 0.659 nan 8.230 nan 0.000 0.466 637 P HA 0.067 nan 4.420 nan 0.000 0.251 637 P C -0.183 177.164 177.300 0.078 0.000 1.223 637 P CA 0.202 63.356 63.100 0.090 0.000 0.796 637 P CB 0.550 32.303 31.700 0.088 0.000 1.068 638 S N -0.597 115.149 115.700 0.077 0.000 2.549 638 S HA 0.649 5.119 4.470 0.001 0.000 0.297 638 S C 0.788 175.424 174.600 0.061 0.000 1.115 638 S CA -0.303 57.949 58.200 0.086 0.000 1.059 638 S CB 1.057 64.334 63.200 0.128 0.000 1.046 638 S HN 0.006 nan 8.310 nan 0.000 0.506 639 A N 3.249 126.113 122.820 0.075 0.000 2.390 639 A HA 0.357 4.677 4.320 0.001 0.000 0.232 639 A C 0.258 177.857 177.584 0.026 0.000 1.233 639 A CA -0.304 51.755 52.037 0.037 0.000 0.907 639 A CB -0.235 18.782 19.000 0.028 0.000 0.967 639 A HN 0.738 nan 8.150 nan 0.000 0.512 640 F N 1.935 121.839 119.950 -0.077 0.000 2.651 640 F HA 0.447 4.973 4.527 -0.001 0.000 0.347 640 F C -0.570 175.162 175.800 -0.112 0.000 1.284 640 F CA 0.119 58.035 58.000 -0.138 0.000 1.175 640 F CB 0.066 38.958 39.000 -0.180 0.000 1.542 640 F HN -0.068 nan 8.300 nan 0.000 0.661 641 V N 3.198 122.948 119.914 -0.275 0.000 2.969 641 V HA 0.911 5.032 4.120 0.001 0.000 0.304 641 V C 0.005 176.007 176.094 -0.152 0.000 1.192 641 V CA -0.383 61.830 62.300 -0.146 0.000 0.962 641 V CB 1.161 32.954 31.823 -0.050 0.000 1.045 641 V HN 0.854 nan 8.190 nan 0.000 0.428 642 G N 2.656 111.424 108.800 -0.054 0.000 2.334 642 G HA2 0.365 4.326 3.960 0.001 0.000 0.315 642 G HA3 0.365 4.326 3.960 0.001 0.000 0.315 642 G C -0.870 174.095 174.900 0.108 0.000 1.284 642 G CA -0.123 45.029 45.100 0.087 0.000 0.985 642 G HN 0.823 nan 8.290 nan 0.000 0.504 643 T N 0.334 114.955 114.554 0.111 0.000 2.886 643 T HA 0.707 5.057 4.350 0.001 0.000 0.292 643 T C 0.209 174.819 174.700 -0.150 0.000 1.012 643 T CA 0.229 62.312 62.100 -0.028 0.000 0.982 643 T CB 1.497 70.308 68.868 -0.095 0.000 1.018 643 T HN 1.600 nan 8.240 nan 0.000 0.451 644 S N 2.825 118.487 115.700 -0.064 0.000 2.508 644 S HA 0.614 5.085 4.470 0.001 0.000 0.284 644 S C -0.575 173.968 174.600 -0.095 0.000 1.192 644 S CA -0.769 57.372 58.200 -0.098 0.000 1.070 644 S CB 0.935 64.114 63.200 -0.035 0.000 1.004 644 S HN 0.530 nan 8.310 nan 0.000 0.493 645 K N 3.005 123.336 120.400 -0.115 0.000 2.323 645 K HA 0.386 4.707 4.320 0.001 0.000 0.259 645 K C -0.308 176.263 176.600 -0.049 0.000 0.947 645 K CA -0.668 55.566 56.287 -0.088 0.000 0.819 645 K CB 1.648 34.072 32.500 -0.127 0.000 1.109 645 K HN 0.699 nan 8.250 nan 0.000 0.429 646 L N 3.518 124.728 121.223 -0.022 0.000 2.349 646 L HA 0.192 4.532 4.340 0.001 0.000 0.200 646 L C -0.360 176.507 176.870 -0.007 0.000 1.064 646 L CA 1.380 56.218 54.840 -0.004 0.000 0.821 646 L CB 0.235 42.307 42.059 0.022 0.000 1.027 646 L HN 0.844 nan 8.230 nan 0.000 0.476 647 D N -4.051 116.345 120.400 -0.007 0.000 2.768 647 D HA 0.157 4.797 4.640 0.001 0.000 0.327 647 D C -0.067 176.228 176.300 -0.008 0.000 1.302 647 D CA -0.399 53.598 54.000 -0.005 0.000 0.897 647 D CB -0.207 40.594 40.800 0.002 0.000 1.420 647 D HN -0.222 nan 8.370 nan 0.000 0.494 648 D N -0.726 119.675 120.400 0.002 0.000 2.389 648 D HA 0.029 4.670 4.640 0.001 0.000 0.221 648 D C 0.749 177.030 176.300 -0.031 0.000 0.974 648 D CA 1.454 55.459 54.000 0.009 0.000 0.923 648 D CB 0.068 40.891 40.800 0.038 0.000 0.892 648 D HN 0.485 nan 8.370 nan 0.000 0.518 649 A N 0.025 122.826 122.820 -0.032 0.000 2.569 649 A HA 0.170 4.490 4.320 0.001 0.000 0.284 649 A C -0.111 177.457 177.584 -0.026 0.000 0.948 649 A CA -0.457 51.551 52.037 -0.048 0.000 1.007 649 A CB 0.435 19.406 19.000 -0.047 0.000 1.232 649 A HN -0.044 nan 8.150 nan 0.000 0.530 650 N N 0.382 119.074 118.700 -0.014 0.000 2.599 650 N HA 0.537 5.278 4.740 0.001 0.000 0.283 650 N C -0.825 174.692 175.510 0.011 0.000 1.160 650 N CA 0.327 53.383 53.050 0.009 0.000 0.869 650 N CB 1.977 40.481 38.487 0.028 0.000 1.448 650 N HN 0.407 nan 8.380 nan 0.000 0.535 651 A N 0.894 123.719 122.820 0.008 0.000 2.552 651 A HA 0.919 5.239 4.320 0.001 0.000 0.288 651 A C -1.029 176.557 177.584 0.003 0.000 1.193 651 A CA -0.496 51.540 52.037 -0.001 0.000 0.713 651 A CB 1.696 20.675 19.000 -0.035 0.000 1.305 651 A HN 0.260 nan 8.150 nan 0.000 0.424 652 T N 0.237 114.774 114.554 -0.029 0.000 3.071 652 T HA 0.679 5.030 4.350 0.001 0.000 0.311 652 T C -0.298 174.349 174.700 -0.088 0.000 1.042 652 T CA 0.228 62.259 62.100 -0.114 0.000 1.028 652 T CB 1.338 70.138 68.868 -0.114 0.000 1.068 652 T HN 1.532 nan 8.240 nan 0.000 0.451 653 A N 2.055 124.850 122.820 -0.041 0.000 2.269 653 A HA 0.985 5.306 4.320 0.001 0.000 0.327 653 A C 0.127 177.819 177.584 0.180 0.000 1.112 653 A CA -0.743 51.357 52.037 0.105 0.000 0.865 653 A CB 1.678 20.783 19.000 0.175 0.000 1.227 653 A HN 0.780 nan 8.150 nan 0.000 0.498 654 T N -0.335 114.361 114.554 0.238 0.000 2.843 654 T HA 0.641 4.991 4.350 0.001 0.000 0.302 654 T C -1.417 173.499 174.700 0.359 0.000 1.232 654 T CA -0.387 61.857 62.100 0.240 0.000 1.009 654 T CB 1.043 69.954 68.868 0.072 0.000 1.254 654 T HN 0.881 nan 8.240 nan 0.000 0.504 655 M N 3.289 123.105 119.600 0.361 0.000 2.234 655 M HA 0.370 4.851 4.480 0.001 0.000 0.267 655 M C -1.904 174.619 176.300 0.371 0.000 1.022 655 M CA -0.550 54.954 55.300 0.340 0.000 0.993 655 M CB 1.639 34.496 32.600 0.428 0.000 1.836 655 M HN 0.560 nan 8.290 nan 0.000 0.479 656 D N 4.470 125.088 120.400 0.364 0.000 2.563 656 D HA 0.145 4.786 4.640 0.001 0.000 0.222 656 D C -1.009 175.532 176.300 0.401 0.000 1.145 656 D CA -0.003 54.247 54.000 0.417 0.000 1.001 656 D CB 0.144 41.151 40.800 0.345 0.000 1.049 656 D HN 0.333 nan 8.370 nan 0.000 0.515 657 F N 2.266 122.368 119.950 0.252 0.000 2.578 657 F HA 0.244 4.769 4.527 -0.003 0.000 0.376 657 F C 0.147 176.040 175.800 0.155 0.000 1.085 657 F CA -0.207 57.910 58.000 0.195 0.000 1.260 657 F CB 0.395 39.531 39.000 0.228 0.000 1.095 657 F HN 0.077 nan 8.300 nan 0.000 0.573 658 T N 6.400 121.194 114.554 0.400 0.000 2.881 658 T HA 0.256 4.607 4.350 0.001 0.000 0.290 658 T C -0.196 174.524 174.700 0.034 0.000 1.000 658 T CA -1.052 61.081 62.100 0.054 0.000 0.978 658 T CB 1.481 70.405 68.868 0.093 0.000 0.997 658 T HN 0.639 nan 8.240 nan 0.000 0.443 659 N N 2.427 120.964 118.700 -0.272 0.000 2.476 659 N HA 0.049 4.790 4.740 0.001 0.000 0.275 659 N C 1.726 177.348 175.510 0.187 0.000 1.190 659 N CA -0.848 52.166 53.050 -0.060 0.000 0.977 659 N CB 1.086 39.390 38.487 -0.305 0.000 1.200 659 N HN 1.000 nan 8.380 nan 0.000 0.515 660 W N 3.357 124.808 121.300 0.251 0.000 2.082 660 W HA -0.440 4.214 4.660 -0.009 0.000 0.357 660 W C 0.069 176.648 176.519 0.100 0.000 1.615 660 W CA 2.686 60.146 57.345 0.191 0.000 1.766 660 W CB -0.876 28.708 29.460 0.207 0.000 0.975 660 W HN 0.877 nan 8.180 nan 0.000 0.469 661 N N 0.113 118.354 118.700 -0.765 0.000 2.197 661 N HA 0.182 4.922 4.740 0.001 0.000 0.228 661 N C 0.318 175.554 175.510 -0.458 0.000 1.212 661 N CA 0.328 52.816 53.050 -0.936 0.000 0.883 661 N CB 0.268 37.706 38.487 -1.749 0.000 1.107 661 N HN 0.215 nan 8.380 nan 0.000 0.519 662 Q N -0.193 119.440 119.800 -0.278 0.000 2.493 662 Q HA -0.140 4.200 4.340 0.001 0.000 0.278 662 Q C 0.378 176.270 176.000 -0.181 0.000 1.216 662 Q CA 1.351 57.052 55.803 -0.170 0.000 0.875 662 Q CB -2.268 26.401 28.738 -0.115 0.000 1.262 662 Q HN 0.758 nan 8.270 nan 0.000 0.468 663 T N -4.058 110.365 114.554 -0.220 0.000 3.000 663 T HA 0.408 4.759 4.350 0.001 0.000 0.248 663 T C 0.271 174.882 174.700 -0.149 0.000 1.034 663 T CA 0.127 62.122 62.100 -0.175 0.000 1.060 663 T CB 0.511 69.266 68.868 -0.188 0.000 0.983 663 T HN 0.148 nan 8.240 nan 0.000 0.482 664 L N 2.759 123.870 121.223 -0.188 0.000 2.404 664 L HA 0.645 4.986 4.340 0.001 0.000 0.272 664 L C -0.745 175.981 176.870 -0.240 0.000 0.980 664 L CA -0.262 54.463 54.840 -0.192 0.000 0.836 664 L CB 2.081 44.014 42.059 -0.210 0.000 1.238 664 L HN 0.288 nan 8.230 nan 0.000 0.408 665 T N 2.661 117.131 114.554 -0.140 0.000 2.892 665 T HA 0.918 5.269 4.350 0.001 0.000 0.311 665 T C -0.603 174.078 174.700 -0.030 0.000 1.033 665 T CA -0.056 62.000 62.100 -0.073 0.000 0.991 665 T CB 1.059 69.913 68.868 -0.025 0.000 0.981 665 T HN 0.872 nan 8.240 nan 0.000 0.457 666 A N 3.641 126.511 122.820 0.083 0.000 2.386 666 A HA 0.712 5.033 4.320 0.001 0.000 0.311 666 A C -0.678 177.083 177.584 0.295 0.000 1.068 666 A CA -0.895 51.202 52.037 0.100 0.000 0.743 666 A CB 0.792 19.885 19.000 0.156 0.000 1.258 666 A HN 0.904 nan 8.150 nan 0.000 0.429 667 H N 1.493 120.598 119.070 0.058 0.000 2.848 667 H HA 0.349 4.905 4.556 -0.000 0.000 0.317 667 H C -0.356 175.030 175.328 0.098 0.000 1.046 667 H CA 0.363 56.453 56.048 0.070 0.000 1.470 667 H CB 0.411 30.037 29.762 -0.227 0.000 1.483 667 H HN 0.467 nan 8.280 nan 0.000 0.548 668 K N 2.262 122.786 120.400 0.208 0.000 2.463 668 K HA 0.488 4.809 4.320 0.001 0.000 0.255 668 K C -0.825 175.451 176.600 -0.540 0.000 0.942 668 K CA -0.576 55.623 56.287 -0.146 0.000 0.814 668 K CB 1.798 34.245 32.500 -0.089 0.000 1.122 668 K HN 0.456 nan 8.250 nan 0.000 0.425 669 S N 2.114 117.422 115.700 -0.654 0.000 2.571 669 S HA 0.493 4.964 4.470 0.001 0.000 0.284 669 S C -1.159 173.075 174.600 -0.610 0.000 1.128 669 S CA -0.984 56.916 58.200 -0.500 0.000 0.970 669 S CB 1.095 64.227 63.200 -0.114 0.000 1.039 669 S HN 0.413 nan 8.310 nan 0.000 0.485 670 W N 2.001 123.112 121.300 -0.315 0.000 2.627 670 W HA 0.582 5.242 4.660 -0.001 0.000 0.339 670 W C -1.509 174.641 176.519 -0.615 0.000 1.058 670 W CA -0.953 56.194 57.345 -0.331 0.000 1.223 670 W CB 1.193 30.516 29.460 -0.229 0.000 1.389 670 W HN 0.541 nan 8.180 nan 0.000 0.541 671 F N 2.013 121.946 119.950 -0.029 0.000 2.771 671 F HA 0.329 4.857 4.527 0.002 0.000 0.365 671 F C -0.093 175.632 175.800 -0.124 0.000 1.169 671 F CA -0.818 57.160 58.000 -0.037 0.000 1.093 671 F CB 0.719 39.707 39.000 -0.019 0.000 1.363 671 F HN -0.073 nan 8.300 nan 0.000 0.496 672 M N 4.817 124.403 119.600 -0.022 0.000 2.105 672 M HA 0.400 4.881 4.480 0.001 0.000 0.350 672 M C -0.542 175.745 176.300 -0.021 0.000 1.308 672 M CA 0.177 55.408 55.300 -0.115 0.000 1.108 672 M CB 0.574 33.066 32.600 -0.179 0.000 1.622 672 M HN 0.434 nan 8.290 nan 0.000 0.468 673 L N 4.363 125.580 121.223 -0.010 0.000 2.637 673 L HA 0.396 4.736 4.340 0.001 0.000 0.241 673 L C 0.602 177.479 176.870 0.012 0.000 1.398 673 L CA -0.244 54.605 54.840 0.014 0.000 0.895 673 L CB -0.058 42.015 42.059 0.024 0.000 1.183 673 L HN 0.823 nan 8.230 nan 0.000 0.497 674 K N 0.795 121.200 120.400 0.008 0.000 9.931 674 K HA -0.248 4.072 4.320 0.001 0.000 0.456 674 K C 0.080 176.746 176.600 0.110 0.000 0.649 674 K CA 2.266 58.561 56.287 0.014 0.000 1.643 674 K CB -0.727 31.776 32.500 0.005 0.000 0.770 674 K HN 0.779 nan 8.250 nan 0.000 1.122 675 D N 2.163 122.642 120.400 0.131 0.000 2.895 675 D HA 0.238 4.878 4.640 0.001 0.000 0.258 675 D C -0.327 176.028 176.300 0.091 0.000 1.311 675 D CA -0.120 54.020 54.000 0.233 0.000 0.843 675 D CB 0.091 40.983 40.800 0.152 0.000 1.055 675 D HN 0.446 nan 8.370 nan 0.000 0.486 676 K N -0.771 119.666 120.400 0.061 0.000 2.818 676 K HA 0.421 4.741 4.320 0.001 0.000 0.287 676 K C -1.862 174.675 176.600 -0.105 0.000 1.061 676 K CA -0.910 55.345 56.287 -0.053 0.000 0.858 676 K CB 0.325 32.819 32.500 -0.010 0.000 1.456 676 K HN 0.020 nan 8.250 nan 0.000 0.364 677 I N 0.982 121.441 120.570 -0.185 0.000 2.586 677 I HA 0.290 4.460 4.170 0.001 0.000 0.281 677 I C -0.542 175.381 176.117 -0.324 0.000 1.145 677 I CA -0.734 60.364 61.300 -0.335 0.000 1.073 677 I CB 1.879 39.428 38.000 -0.752 0.000 1.238 677 I HN 0.833 nan 8.210 nan 0.000 0.461 678 A N 5.663 128.406 122.820 -0.128 0.000 2.440 678 A HA 0.671 4.991 4.320 0.001 0.000 0.251 678 A C -0.784 176.704 177.584 -0.160 0.000 1.089 678 A CA 0.280 52.287 52.037 -0.051 0.000 0.779 678 A CB -0.073 18.983 19.000 0.094 0.000 1.022 678 A HN 0.505 nan 8.150 nan 0.000 0.492 679 F N 3.134 122.903 119.950 -0.303 0.000 2.293 679 F HA 0.383 4.910 4.527 -0.000 0.000 0.370 679 F C 0.303 175.852 175.800 -0.419 0.000 1.090 679 F CA -0.239 57.553 58.000 -0.347 0.000 1.133 679 F CB 0.510 39.231 39.000 -0.466 0.000 1.360 679 F HN 0.360 nan 8.300 nan 0.000 0.489 680 L N 2.026 123.170 121.223 -0.132 0.000 2.469 680 L HA 0.902 5.243 4.340 0.001 0.000 0.253 680 L C 0.543 177.025 176.870 -0.647 0.000 1.143 680 L CA -0.879 53.791 54.840 -0.283 0.000 0.804 680 L CB 1.378 43.439 42.059 0.003 0.000 1.214 680 L HN 0.706 nan 8.230 nan 0.000 0.476 681 G N -0.071 108.360 108.800 -0.615 0.000 2.174 681 G HA2 0.399 4.359 3.960 0.001 0.000 0.312 681 G HA3 0.399 4.359 3.960 0.001 0.000 0.312 681 G C -1.105 173.678 174.900 -0.196 0.000 1.663 681 G CA -0.136 44.706 45.100 -0.431 0.000 0.920 681 G HN 0.693 nan 8.290 nan 0.000 0.664 682 S N 1.080 116.731 115.700 -0.082 0.000 2.806 682 S HA 0.711 5.181 4.470 0.001 0.000 0.315 682 S C 0.802 175.268 174.600 -0.223 0.000 1.127 682 S CA -0.002 58.124 58.200 -0.123 0.000 0.918 682 S CB 1.679 64.815 63.200 -0.108 0.000 1.240 682 S HN 1.677 nan 8.310 nan 0.000 0.552 683 N N -0.498 118.048 118.700 -0.258 0.000 2.708 683 N HA -0.149 4.592 4.740 0.001 0.000 0.251 683 N C -0.738 174.627 175.510 -0.243 0.000 1.123 683 N CA 0.292 53.141 53.050 -0.335 0.000 0.739 683 N CB -1.070 36.995 38.487 -0.704 0.000 1.113 683 N HN 0.689 nan 8.380 nan 0.000 0.561 684 I N 1.477 121.949 120.570 -0.163 0.000 2.668 684 I HA -0.079 4.092 4.170 0.001 0.000 0.285 684 I C 0.432 176.491 176.117 -0.095 0.000 1.168 684 I CA 1.241 62.470 61.300 -0.120 0.000 1.424 684 I CB 0.540 38.432 38.000 -0.179 0.000 1.377 684 I HN 0.210 nan 8.210 nan 0.000 0.560 685 Q N 5.123 124.875 119.800 -0.080 0.000 2.275 685 Q HA 0.284 4.624 4.340 0.001 0.000 0.258 685 Q C -1.080 174.884 176.000 -0.060 0.000 0.960 685 Q CA -0.708 55.054 55.803 -0.068 0.000 0.801 685 Q CB 2.283 30.972 28.738 -0.082 0.000 1.302 685 Q HN 0.484 nan 8.270 nan 0.000 0.433 686 N N 1.080 119.755 118.700 -0.043 0.000 2.424 686 N HA 0.213 4.953 4.740 0.001 0.000 0.271 686 N C -0.519 174.962 175.510 -0.048 0.000 0.985 686 N CA -0.162 52.860 53.050 -0.047 0.000 0.921 686 N CB 1.362 39.832 38.487 -0.028 0.000 1.149 686 N HN 0.516 nan 8.380 nan 0.000 0.492 687 T N -0.298 114.219 114.554 -0.061 0.000 3.218 687 T HA 0.403 4.754 4.350 0.001 0.000 0.236 687 T C -0.026 174.638 174.700 -0.060 0.000 1.005 687 T CA -0.531 61.535 62.100 -0.056 0.000 1.055 687 T CB -0.479 68.353 68.868 -0.061 0.000 1.136 687 T HN 0.202 nan 8.240 nan 0.000 0.577 688 S N 0.185 115.855 115.700 -0.051 0.000 2.550 688 S HA 0.515 4.985 4.470 0.001 0.000 0.270 688 S C 0.893 175.474 174.600 -0.032 0.000 1.145 688 S CA -0.338 57.832 58.200 -0.049 0.000 0.852 688 S CB 1.565 64.727 63.200 -0.063 0.000 1.119 688 S HN 0.526 nan 8.310 nan 0.000 0.465 689 T N -0.357 114.181 114.554 -0.027 0.000 3.129 689 T HA 0.239 4.589 4.350 0.001 0.000 0.251 689 T C -0.078 174.615 174.700 -0.011 0.000 1.117 689 T CA 0.011 62.101 62.100 -0.018 0.000 1.034 689 T CB -0.360 68.499 68.868 -0.015 0.000 0.968 689 T HN 0.457 nan 8.240 nan 0.000 0.526 690 D N 3.491 123.885 120.400 -0.010 0.000 2.210 690 D HA 0.225 4.866 4.640 0.001 0.000 0.249 690 D C 0.280 176.577 176.300 -0.006 0.000 1.062 690 D CA -0.067 53.933 54.000 0.000 0.000 0.891 690 D CB 1.622 42.431 40.800 0.015 0.000 1.186 690 D HN 0.345 nan 8.370 nan 0.000 0.432 691 T N -0.893 113.658 114.554 -0.005 0.000 2.784 691 T HA 0.437 4.788 4.350 0.001 0.000 0.291 691 T C 0.364 175.054 174.700 -0.016 0.000 0.942 691 T CA -0.968 61.124 62.100 -0.013 0.000 1.161 691 T CB 0.665 69.521 68.868 -0.021 0.000 0.885 691 T HN 0.353 nan 8.240 nan 0.000 0.534 692 A N 3.057 125.872 122.820 -0.009 0.000 2.351 692 A HA 0.744 5.065 4.320 0.001 0.000 0.257 692 A C 0.522 178.075 177.584 -0.052 0.000 1.087 692 A CA -0.418 51.618 52.037 -0.001 0.000 0.798 692 A CB 0.024 19.054 19.000 0.050 0.000 1.033 692 A HN 1.940 nan 8.150 nan 0.000 0.488 693 A N 1.413 124.188 122.820 -0.075 0.000 2.518 693 A HA 0.570 4.890 4.320 0.001 0.000 0.295 693 A C -0.248 177.245 177.584 -0.151 0.000 1.052 693 A CA -0.350 51.562 52.037 -0.210 0.000 0.824 693 A CB 0.265 19.176 19.000 -0.149 0.000 1.325 693 A HN 0.877 nan 8.150 nan 0.000 0.394 694 T N 2.306 116.723 114.554 -0.228 0.000 2.910 694 T HA 0.527 4.877 4.350 0.001 0.000 0.293 694 T C 0.363 174.998 174.700 -0.108 0.000 1.015 694 T CA 0.359 62.395 62.100 -0.105 0.000 1.094 694 T CB 0.715 69.500 68.868 -0.138 0.000 0.968 694 T HN 0.616 nan 8.240 nan 0.000 0.521 695 T N 3.738 118.265 114.554 -0.045 0.000 2.753 695 T HA 0.329 4.679 4.350 0.001 0.000 0.297 695 T C 1.583 176.279 174.700 -0.008 0.000 0.981 695 T CA -0.507 61.574 62.100 -0.031 0.000 0.956 695 T CB 0.542 69.412 68.868 0.003 0.000 0.936 695 T HN 0.414 nan 8.240 nan 0.000 0.463 696 I N 1.490 122.011 120.570 -0.082 0.000 2.315 696 I HA 0.001 4.171 4.170 0.001 0.000 0.248 696 I C 1.166 177.300 176.117 0.028 0.000 1.117 696 I CA 1.310 62.514 61.300 -0.160 0.000 1.404 696 I CB 0.249 38.022 38.000 -0.378 0.000 1.071 696 I HN 0.609 nan 8.210 nan 0.000 0.419 697 D N -0.822 119.586 120.400 0.013 0.000 2.720 697 D HA 0.110 4.751 4.640 0.001 0.000 0.239 697 D C -1.499 174.825 176.300 0.039 0.000 1.218 697 D CA -0.402 53.667 54.000 0.116 0.000 0.748 697 D CB 1.474 42.379 40.800 0.175 0.000 1.387 697 D HN -0.043 nan 8.370 nan 0.000 0.438 698 Q N 2.843 122.692 119.800 0.082 0.000 3.021 698 Q HA 0.329 4.669 4.340 0.001 0.000 0.234 698 Q C -1.407 174.769 176.000 0.293 0.000 0.930 698 Q CA -0.670 55.209 55.803 0.127 0.000 0.714 698 Q CB 0.886 29.648 28.738 0.040 0.000 1.325 698 Q HN 0.177 nan 8.270 nan 0.000 0.473 699 R N 2.002 122.638 120.500 0.227 0.000 2.308 699 R HA 0.276 4.617 4.340 0.001 0.000 0.305 699 R C -0.657 175.678 176.300 0.059 0.000 1.053 699 R CA -0.163 56.099 56.100 0.269 0.000 0.957 699 R CB 0.844 31.186 30.300 0.071 0.000 1.022 699 R HN 0.403 nan 8.270 nan 0.000 0.461 700 K N 3.437 123.640 120.400 -0.328 0.000 2.258 700 K HA 0.243 4.563 4.320 0.001 0.000 0.264 700 K C -0.884 175.456 176.600 -0.433 0.000 1.007 700 K CA -0.229 55.453 56.287 -1.009 0.000 0.941 700 K CB 0.500 32.267 32.500 -1.223 0.000 0.966 700 K HN 0.484 nan 8.250 nan 0.000 0.480 701 L N 4.518 125.512 121.223 -0.380 0.000 2.343 701 L HA 0.294 4.634 4.340 0.001 0.000 0.278 701 L C -0.051 176.725 176.870 -0.157 0.000 0.996 701 L CA -0.939 53.843 54.840 -0.097 0.000 0.831 701 L CB 1.545 43.605 42.059 0.003 0.000 1.232 701 L HN 0.725 nan 8.230 nan 0.000 0.413 702 E N 1.527 121.648 120.200 -0.132 0.000 2.344 702 E HA 0.065 4.415 4.350 0.001 0.000 0.270 702 E C 0.550 177.091 176.600 -0.098 0.000 1.021 702 E CA 0.056 56.383 56.400 -0.120 0.000 0.887 702 E CB 1.508 31.142 29.700 -0.110 0.000 0.997 702 E HN 0.709 nan 8.360 nan 0.000 0.429 703 S N 2.849 118.504 115.700 -0.074 0.000 2.368 703 S HA -0.165 4.305 4.470 0.001 0.000 0.224 703 S C 1.832 176.401 174.600 -0.052 0.000 1.029 703 S CA 0.996 59.163 58.200 -0.055 0.000 0.988 703 S CB -0.240 62.936 63.200 -0.039 0.000 0.838 703 S HN 0.474 nan 8.310 nan 0.000 0.462 704 S N 1.845 117.517 115.700 -0.046 0.000 2.660 704 S HA 0.221 4.691 4.470 0.001 0.000 0.228 704 S C -0.096 174.470 174.600 -0.056 0.000 0.966 704 S CA -0.132 58.044 58.200 -0.039 0.000 0.940 704 S CB -0.587 62.600 63.200 -0.021 0.000 0.773 704 S HN 0.482 nan 8.310 nan 0.000 0.535 705 N N 2.137 120.783 118.700 -0.091 0.000 2.640 705 N HA 0.276 5.017 4.740 0.001 0.000 0.262 705 N C -3.162 172.224 175.510 -0.206 0.000 1.174 705 N CA -0.741 52.229 53.050 -0.133 0.000 0.791 705 N CB 2.180 40.580 38.487 -0.145 0.000 1.279 705 N HN 0.180 nan 8.380 nan 0.000 0.535 706 P HA 0.329 nan 4.420 nan 0.000 0.286 706 P C -0.752 176.453 177.300 -0.158 0.000 1.261 706 P CA -0.195 62.829 63.100 -0.126 0.000 0.821 706 P CB 1.120 32.793 31.700 -0.045 0.000 1.013 707 Y N 0.644 120.924 120.300 -0.033 0.000 2.301 707 Y HA 0.295 4.846 4.550 0.001 0.000 0.328 707 Y C 1.420 177.308 175.900 -0.020 0.000 1.242 707 Y CA 0.360 58.444 58.100 -0.027 0.000 1.323 707 Y CB 0.985 39.417 38.460 -0.047 0.000 1.266 707 Y HN 0.257 nan 8.280 nan 0.000 0.527 708 K N 1.897 122.413 120.400 0.194 0.000 2.464 708 K HA 0.476 4.796 4.320 0.001 0.000 0.252 708 K C -1.840 174.792 176.600 0.054 0.000 1.000 708 K CA -0.432 55.899 56.287 0.074 0.000 0.951 708 K CB 0.582 33.145 32.500 0.105 0.000 1.183 708 K HN 0.458 nan 8.250 nan 0.000 0.445 709 V N 5.392 125.272 119.914 -0.056 0.000 2.405 709 V HA 0.138 4.258 4.120 0.001 0.000 0.264 709 V C -0.616 175.396 176.094 -0.136 0.000 1.048 709 V CA -0.409 61.863 62.300 -0.046 0.000 0.966 709 V CB -0.205 31.561 31.823 -0.095 0.000 1.015 709 V HN 0.562 nan 8.190 nan 0.000 0.477 710 Y N 3.552 123.894 120.300 0.070 0.000 2.518 710 Y HA 0.384 4.934 4.550 0.000 0.000 0.344 710 Y C 0.371 176.290 175.900 0.033 0.000 0.982 710 Y CA -0.531 57.615 58.100 0.078 0.000 1.234 710 Y CB 1.266 39.820 38.460 0.158 0.000 1.114 710 Y HN 0.398 nan 8.280 nan 0.000 0.515 711 V N 4.577 124.503 119.914 0.020 0.000 2.470 711 V HA -0.000 4.120 4.120 0.001 0.000 0.276 711 V C 0.592 176.732 176.094 0.077 0.000 1.040 711 V CA -0.216 62.044 62.300 -0.066 0.000 1.008 711 V CB 0.469 32.073 31.823 -0.365 0.000 0.990 711 V HN 0.913 nan 8.190 nan 0.000 0.477 712 N N 3.586 122.363 118.700 0.129 0.000 2.708 712 N HA -0.215 4.525 4.740 0.001 0.000 0.249 712 N C 0.599 176.198 175.510 0.149 0.000 1.097 712 N CA 1.400 54.539 53.050 0.148 0.000 0.710 712 N CB -0.846 37.711 38.487 0.115 0.000 1.032 712 N HN 0.996 nan 8.380 nan 0.000 0.551 713 D N -3.652 116.862 120.400 0.190 0.000 2.661 713 D HA -0.166 4.475 4.640 0.001 0.000 0.183 713 D C -0.721 175.732 176.300 0.254 0.000 0.935 713 D CA 1.528 55.629 54.000 0.169 0.000 1.004 713 D CB -0.487 40.364 40.800 0.086 0.000 1.053 713 D HN 0.430 nan 8.370 nan 0.000 0.459 714 K N 1.053 121.603 120.400 0.251 0.000 2.281 714 K HA 0.529 4.850 4.320 0.001 0.000 0.242 714 K C 0.118 176.791 176.600 0.122 0.000 0.971 714 K CA -0.710 55.709 56.287 0.220 0.000 0.834 714 K CB 1.212 33.784 32.500 0.120 0.000 1.181 714 K HN 0.308 nan 8.250 nan 0.000 0.435 715 E N 0.764 120.928 120.200 -0.059 0.000 2.392 715 E HA 0.553 4.903 4.350 0.001 0.000 0.256 715 E C -0.771 175.740 176.600 -0.149 0.000 1.145 715 E CA -0.675 55.519 56.400 -0.344 0.000 0.929 715 E CB 1.019 30.470 29.700 -0.416 0.000 0.998 715 E HN 0.511 nan 8.360 nan 0.000 0.442 716 A N 1.668 124.389 122.820 -0.165 0.000 2.524 716 A HA 0.656 4.977 4.320 0.001 0.000 0.286 716 A C -1.133 176.424 177.584 -0.045 0.000 1.203 716 A CA -0.775 51.230 52.037 -0.054 0.000 0.736 716 A CB 2.145 21.108 19.000 -0.062 0.000 1.322 716 A HN 0.476 nan 8.150 nan 0.000 0.424 717 S N 0.446 116.152 115.700 0.010 0.000 2.737 717 S HA 0.475 4.946 4.470 0.001 0.000 0.269 717 S C -0.940 173.675 174.600 0.025 0.000 1.150 717 S CA -0.461 57.741 58.200 0.003 0.000 1.077 717 S CB 0.427 63.627 63.200 0.000 0.000 1.075 717 S HN 0.527 nan 8.310 nan 0.000 0.476 718 L N 2.953 124.185 121.223 0.016 0.000 2.360 718 L HA 0.736 5.076 4.340 0.001 0.000 0.271 718 L C 0.839 177.716 176.870 0.011 0.000 1.057 718 L CA -0.559 54.296 54.840 0.024 0.000 0.803 718 L CB 1.525 43.592 42.059 0.013 0.000 1.207 718 L HN 0.717 nan 8.230 nan 0.000 0.445 719 T N -3.189 111.371 114.554 0.009 0.000 2.626 719 T HA 0.262 4.613 4.350 0.001 0.000 0.279 719 T C 0.606 175.304 174.700 -0.004 0.000 0.983 719 T CA -0.760 61.340 62.100 0.000 0.000 1.059 719 T CB 1.322 70.188 68.868 -0.005 0.000 1.396 719 T HN 0.586 nan 8.240 nan 0.000 0.519 720 E N 0.178 120.373 120.200 -0.009 0.000 2.338 720 E HA -0.094 4.256 4.350 0.001 0.000 0.197 720 E C 0.916 177.504 176.600 -0.020 0.000 1.007 720 E CA 0.266 56.657 56.400 -0.015 0.000 0.849 720 E CB -0.021 29.668 29.700 -0.019 0.000 0.774 720 E HN 0.613 nan 8.360 nan 0.000 0.506 721 Q N 2.399 122.187 119.800 -0.020 0.000 2.289 721 Q HA -0.033 4.307 4.340 0.001 0.000 0.273 721 Q C -0.450 175.534 176.000 -0.026 0.000 1.029 721 Q CA -0.020 55.767 55.803 -0.027 0.000 0.896 721 Q CB 0.571 29.291 28.738 -0.030 0.000 1.182 721 Q HN 0.001 nan 8.270 nan 0.000 0.385 722 E N 4.360 124.540 120.200 -0.034 0.000 2.271 722 E HA -0.045 4.306 4.350 0.001 0.000 0.255 722 E C -0.576 175.993 176.600 -0.052 0.000 1.177 722 E CA 0.191 56.569 56.400 -0.037 0.000 0.946 722 E CB 0.443 30.115 29.700 -0.046 0.000 1.009 722 E HN 0.400 nan 8.360 nan 0.000 0.451 723 K N 3.150 123.528 120.400 -0.038 0.000 2.107 723 K HA 0.210 4.531 4.320 0.001 0.000 0.251 723 K C -0.376 176.111 176.600 -0.189 0.000 1.012 723 K CA -0.492 55.718 56.287 -0.127 0.000 0.920 723 K CB 0.701 33.155 32.500 -0.077 0.000 1.033 723 K HN 0.455 nan 8.250 nan 0.000 0.478 724 D N 0.571 120.737 120.400 -0.390 0.000 2.350 724 D HA 0.280 4.921 4.640 0.001 0.000 0.245 724 D C -0.963 174.963 176.300 -0.623 0.000 1.036 724 D CA -0.247 53.556 54.000 -0.330 0.000 0.848 724 D CB 1.210 41.883 40.800 -0.213 0.000 1.307 724 D HN 0.386 nan 8.370 nan 0.000 0.469 725 Y N 0.948 121.201 120.300 -0.080 0.000 2.520 725 Y HA 0.204 4.754 4.550 0.000 0.000 0.339 725 Y C -2.300 173.540 175.900 -0.099 0.000 1.113 725 Y CA -1.493 56.560 58.100 -0.079 0.000 1.255 725 Y CB 1.844 40.253 38.460 -0.085 0.000 1.099 725 Y HN 0.079 nan 8.280 nan 0.000 0.628 726 P HA 0.115 nan 4.420 nan 0.000 0.281 726 P C -0.312 176.995 177.300 0.012 0.000 1.249 726 P CA -0.134 62.958 63.100 -0.012 0.000 0.810 726 P CB 1.614 33.298 31.700 -0.027 0.000 1.008 727 E N -0.249 119.953 120.200 0.003 0.000 2.689 727 E HA -0.129 4.222 4.350 0.001 0.000 0.165 727 E C -1.240 175.382 176.600 0.037 0.000 1.609 727 E CA 0.352 56.768 56.400 0.026 0.000 0.674 727 E CB -1.593 28.129 29.700 0.037 0.000 1.103 727 E HN 0.434 nan 8.360 nan 0.000 0.373 728 T N 2.796 117.351 114.554 0.002 0.000 3.198 728 T HA 0.115 4.466 4.350 0.001 0.000 0.352 728 T C 0.571 175.303 174.700 0.053 0.000 1.197 728 T CA -0.080 62.015 62.100 -0.007 0.000 1.427 728 T CB 1.208 69.998 68.868 -0.130 0.000 0.983 728 T HN 0.451 nan 8.240 nan 0.000 0.560 729 Q N 2.124 122.034 119.800 0.184 0.000 1.975 729 Q HA -0.000 4.340 4.340 0.001 0.000 0.205 729 Q C 0.586 176.902 176.000 0.526 0.000 0.990 729 Q CA 1.463 57.476 55.803 0.351 0.000 0.845 729 Q CB 0.283 29.202 28.738 0.301 0.000 0.913 729 Q HN 0.530 nan 8.270 nan 0.000 0.420 730 S N -1.096 114.856 115.700 0.420 0.000 2.638 730 S HA 0.663 5.133 4.470 0.001 0.000 0.298 730 S C -1.332 173.536 174.600 0.446 0.000 1.111 730 S CA -0.902 57.605 58.200 0.511 0.000 1.027 730 S CB 2.353 65.807 63.200 0.424 0.000 1.064 730 S HN 0.123 nan 8.310 nan 0.000 0.525 731 V N 2.748 122.965 119.914 0.506 0.000 2.624 731 V HA 0.418 4.538 4.120 0.001 0.000 0.294 731 V C -1.508 174.771 176.094 0.308 0.000 1.077 731 V CA -0.514 61.975 62.300 0.315 0.000 0.905 731 V CB 1.068 33.011 31.823 0.201 0.000 1.025 731 V HN 0.850 nan 8.190 nan 0.000 0.440 732 F N 5.524 125.513 119.950 0.065 0.000 2.508 732 F HA 0.747 5.274 4.527 0.001 0.000 0.325 732 F C -0.590 175.227 175.800 0.029 0.000 1.090 732 F CA -0.847 57.081 58.000 -0.120 0.000 0.945 732 F CB 1.859 40.728 39.000 -0.219 0.000 1.156 732 F HN 0.313 nan 8.300 nan 0.000 0.463 733 L N 5.446 126.220 121.223 -0.749 0.000 2.387 733 L HA 0.325 4.665 4.340 0.001 0.000 0.259 733 L C -0.149 176.548 176.870 -0.288 0.000 1.050 733 L CA -0.485 54.158 54.840 -0.327 0.000 0.922 733 L CB 0.997 42.835 42.059 -0.369 0.000 1.280 733 L HN 0.659 nan 8.230 nan 0.000 0.449 734 E N 2.003 122.284 120.200 0.135 0.000 2.404 734 E HA 0.333 4.684 4.350 0.001 0.000 0.261 734 E C -0.561 176.151 176.600 0.187 0.000 1.074 734 E CA 0.050 56.634 56.400 0.306 0.000 0.917 734 E CB 1.289 31.325 29.700 0.560 0.000 0.965 734 E HN 0.432 nan 8.360 nan 0.000 0.433 735 S N 1.322 117.081 115.700 0.098 0.000 2.625 735 S HA 0.233 4.703 4.470 0.001 0.000 0.271 735 S C 0.427 175.021 174.600 -0.009 0.000 1.161 735 S CA -0.162 58.013 58.200 -0.041 0.000 0.820 735 S CB 1.423 64.513 63.200 -0.184 0.000 1.137 735 S HN 0.534 nan 8.310 nan 0.000 0.470 736 S N 1.350 117.020 115.700 -0.051 0.000 2.359 736 S HA -0.060 4.410 4.470 0.001 0.000 0.224 736 S C 0.509 175.105 174.600 -0.008 0.000 1.035 736 S CA 1.293 59.480 58.200 -0.021 0.000 1.018 736 S CB -0.395 62.783 63.200 -0.038 0.000 0.876 736 S HN 0.777 nan 8.310 nan 0.000 0.448 737 D N 0.954 121.337 120.400 -0.028 0.000 2.295 737 D HA 0.238 4.878 4.640 0.001 0.000 0.248 737 D C 1.072 177.381 176.300 0.014 0.000 1.154 737 D CA 0.039 54.037 54.000 -0.003 0.000 0.857 737 D CB 1.444 42.238 40.800 -0.010 0.000 1.117 737 D HN 0.169 nan 8.370 nan 0.000 0.468 738 S N 3.899 119.624 115.700 0.041 0.000 2.406 738 S HA -0.104 4.366 4.470 0.001 0.000 0.228 738 S C 1.204 175.843 174.600 0.064 0.000 1.020 738 S CA 0.494 58.733 58.200 0.065 0.000 0.965 738 S CB -0.144 63.101 63.200 0.075 0.000 0.798 738 S HN 0.504 nan 8.310 nan 0.000 0.488 739 K N 1.224 121.661 120.400 0.062 0.000 2.632 739 K HA 0.151 4.472 4.320 0.001 0.000 0.196 739 K C 0.583 177.222 176.600 0.065 0.000 1.023 739 K CA 0.368 56.701 56.287 0.076 0.000 1.098 739 K CB -0.066 32.489 32.500 0.091 0.000 0.862 739 K HN 0.456 nan 8.250 nan 0.000 0.504 740 K N 0.538 120.960 120.400 0.037 0.000 2.483 740 K HA 0.121 4.441 4.320 0.001 0.000 0.206 740 K C -0.313 176.320 176.600 0.056 0.000 1.086 740 K CA -0.264 56.043 56.287 0.033 0.000 1.052 740 K CB 0.624 33.109 32.500 -0.026 0.000 0.904 740 K HN 0.066 nan 8.250 nan 0.000 0.557 741 N N 1.257 119.956 118.700 -0.002 0.000 2.503 741 N HA 0.250 4.990 4.740 0.001 0.000 0.267 741 N C -0.534 174.842 175.510 -0.224 0.000 1.214 741 N CA 0.176 53.144 53.050 -0.137 0.000 0.959 741 N CB 0.881 39.257 38.487 -0.186 0.000 1.142 741 N HN -0.061 nan 8.380 nan 0.000 0.455 742 I N -0.066 120.250 120.570 -0.423 0.000 2.571 742 I HA 0.352 4.522 4.170 0.001 0.000 0.286 742 I C 0.453 176.222 176.117 -0.579 0.000 1.134 742 I CA -0.520 60.542 61.300 -0.396 0.000 1.052 742 I CB 1.951 39.834 38.000 -0.195 0.000 1.237 742 I HN 0.457 nan 8.210 nan 0.000 0.435 743 G N 3.975 112.394 108.800 -0.634 0.000 2.471 743 G HA2 0.687 4.647 3.960 0.001 0.000 0.332 743 G HA3 0.687 4.647 3.960 0.001 0.000 0.332 743 G C -1.601 173.099 174.900 -0.334 0.000 1.176 743 G CA -0.389 44.302 45.100 -0.682 0.000 0.949 743 G HN 0.384 nan 8.290 nan 0.000 0.488 744 Y N 0.369 120.758 120.300 0.149 0.000 2.563 744 Y HA 0.242 4.792 4.550 0.000 0.000 0.351 744 Y C -0.646 175.343 175.900 0.148 0.000 1.087 744 Y CA -1.157 56.975 58.100 0.053 0.000 1.272 744 Y CB 1.093 39.441 38.460 -0.187 0.000 1.095 744 Y HN 0.520 nan 8.280 nan 0.000 0.620 745 F N 3.868 123.908 119.950 0.150 0.000 2.472 745 F HA 0.458 4.985 4.527 0.001 0.000 0.364 745 F C -1.031 174.573 175.800 -0.326 0.000 1.090 745 F CA -1.405 56.577 58.000 -0.030 0.000 1.188 745 F CB 0.028 38.922 39.000 -0.176 0.000 1.105 745 F HN 0.174 nan 8.300 nan 0.000 0.536 746 F N 8.097 127.832 119.950 -0.357 0.000 2.371 746 F HA 0.271 4.798 4.527 0.000 0.000 0.363 746 F C 0.617 175.879 175.800 -0.897 0.000 1.122 746 F CA -0.500 57.190 58.000 -0.516 0.000 1.129 746 F CB 0.350 39.296 39.000 -0.090 0.000 1.173 746 F HN 0.421 nan 8.300 nan 0.000 0.489 747 F N 0.956 120.488 119.950 -0.697 0.000 2.065 747 F HA -0.160 4.368 4.527 0.000 0.000 0.298 747 F C 1.230 176.977 175.800 -0.088 0.000 1.112 747 F CA 1.223 58.894 58.000 -0.548 0.000 1.212 747 F CB -0.582 38.250 39.000 -0.280 0.000 0.975 747 F HN 0.153 nan 8.300 nan 0.000 0.476 748 K N 1.133 121.649 120.400 0.194 0.000 2.299 748 K HA 0.190 4.511 4.320 0.001 0.000 0.268 748 K C -0.486 176.203 176.600 0.150 0.000 1.075 748 K CA -0.661 55.727 56.287 0.169 0.000 0.936 748 K CB 0.697 33.286 32.500 0.149 0.000 1.228 748 K HN -0.095 nan 8.250 nan 0.000 0.454 749 K N 1.450 121.936 120.400 0.143 0.000 2.359 749 K HA -0.128 4.193 4.320 0.001 0.000 0.256 749 K C 0.121 176.733 176.600 0.020 0.000 1.194 749 K CA 0.405 56.749 56.287 0.094 0.000 1.234 749 K CB -0.199 32.357 32.500 0.093 0.000 0.776 749 K HN 0.277 nan 8.250 nan 0.000 0.504 750 S N 1.087 116.729 115.700 -0.097 0.000 2.766 750 S HA 0.507 4.977 4.470 0.001 0.000 0.307 750 S C -0.588 173.895 174.600 -0.195 0.000 1.121 750 S CA -0.900 57.223 58.200 -0.130 0.000 0.980 750 S CB 1.441 64.568 63.200 -0.121 0.000 1.159 750 S HN 0.454 nan 8.310 nan 0.000 0.546 751 S N 1.572 117.190 115.700 -0.137 0.000 2.528 751 S HA 0.520 4.990 4.470 0.001 0.000 0.303 751 S C -0.282 174.236 174.600 -0.136 0.000 1.123 751 S CA -0.769 57.365 58.200 -0.111 0.000 1.138 751 S CB -1.021 62.145 63.200 -0.056 0.000 0.984 751 S HN 0.507 nan 8.310 nan 0.000 0.474 752 I N 1.946 122.414 120.570 -0.170 0.000 3.076 752 I HA 0.881 5.051 4.170 0.001 0.000 0.313 752 I C -0.279 175.808 176.117 -0.050 0.000 1.053 752 I CA -0.827 60.379 61.300 -0.156 0.000 1.048 752 I CB 2.149 39.990 38.000 -0.265 0.000 1.264 752 I HN 0.463 nan 8.210 nan 0.000 0.498 753 S N 2.470 118.143 115.700 -0.046 0.000 2.569 753 S HA 0.780 5.250 4.470 0.001 0.000 0.280 753 S C -0.735 173.868 174.600 0.004 0.000 1.111 753 S CA -0.884 57.319 58.200 0.006 0.000 0.887 753 S CB 1.888 65.064 63.200 -0.040 0.000 1.095 753 S HN 0.728 nan 8.310 nan 0.000 0.476 754 M N 2.039 121.676 119.600 0.060 0.000 2.531 754 M HA 0.636 5.116 4.480 0.001 0.000 0.286 754 M C -1.161 175.154 176.300 0.026 0.000 1.232 754 M CA -0.260 55.054 55.300 0.022 0.000 0.877 754 M CB 2.587 35.197 32.600 0.016 0.000 1.726 754 M HN 1.153 nan 8.290 nan 0.000 0.463 755 S N 1.479 117.174 115.700 -0.009 0.000 2.643 755 S HA 0.741 5.212 4.470 0.001 0.000 0.270 755 S C -1.547 173.049 174.600 -0.008 0.000 1.166 755 S CA -0.912 57.285 58.200 -0.005 0.000 0.815 755 S CB 2.486 65.677 63.200 -0.015 0.000 1.139 755 S HN 0.788 nan 8.310 nan 0.000 0.472 756 K N 0.330 120.731 120.400 0.002 0.000 2.805 756 K HA 0.620 4.940 4.320 0.001 0.000 0.276 756 K C -1.197 175.414 176.600 0.018 0.000 1.209 756 K CA -0.494 55.800 56.287 0.013 0.000 1.065 756 K CB 0.728 33.230 32.500 0.003 0.000 1.363 756 K HN 1.070 nan 8.250 nan 0.000 0.546 757 A N 3.869 126.707 122.820 0.031 0.000 2.340 757 A HA 0.623 4.944 4.320 0.001 0.000 0.331 757 A C -0.597 177.015 177.584 0.047 0.000 1.140 757 A CA -0.936 51.114 52.037 0.022 0.000 0.801 757 A CB 0.881 19.881 19.000 -0.000 0.000 1.234 757 A HN 0.678 nan 8.150 nan 0.000 0.469 758 L N 2.205 123.445 121.223 0.027 0.000 2.385 758 L HA 0.197 4.538 4.340 0.001 0.000 0.281 758 L C 0.103 176.990 176.870 0.027 0.000 1.106 758 L CA 0.154 55.014 54.840 0.034 0.000 0.856 758 L CB 0.373 42.440 42.059 0.012 0.000 1.186 758 L HN 0.739 nan 8.230 nan 0.000 0.453 759 Q N 4.402 124.238 119.800 0.059 0.000 2.290 759 Q HA 0.398 4.738 4.340 0.001 0.000 0.259 759 Q C -0.790 175.205 176.000 -0.008 0.000 0.941 759 Q CA -0.651 55.151 55.803 -0.003 0.000 0.912 759 Q CB 2.083 30.782 28.738 -0.066 0.000 1.244 759 Q HN 0.472 nan 8.270 nan 0.000 0.441 760 K N 0.561 120.939 120.400 -0.038 0.000 2.245 760 K HA 0.913 5.234 4.320 0.001 0.000 0.234 760 K C -0.131 176.427 176.600 -0.070 0.000 1.021 760 K CA -1.141 55.123 56.287 -0.039 0.000 0.898 760 K CB 1.421 33.906 32.500 -0.025 0.000 1.163 760 K HN 0.704 nan 8.250 nan 0.000 0.459 761 G N -0.941 107.818 108.800 -0.069 0.000 2.352 761 G HA2 0.403 4.363 3.960 0.001 0.000 0.303 761 G HA3 0.403 4.363 3.960 0.001 0.000 0.303 761 G C -1.946 172.893 174.900 -0.102 0.000 1.593 761 G CA -0.490 44.555 45.100 -0.092 0.000 0.963 761 G HN 0.691 nan 8.290 nan 0.000 0.685 762 A N -0.275 122.498 122.820 -0.078 0.000 2.354 762 A HA 0.749 5.069 4.320 0.001 0.000 0.321 762 A C 0.473 178.030 177.584 -0.044 0.000 1.125 762 A CA -0.614 51.406 52.037 -0.029 0.000 0.799 762 A CB 0.856 19.886 19.000 0.049 0.000 1.293 762 A HN 1.035 nan 8.150 nan 0.000 0.452 763 W N 0.406 121.723 121.300 0.029 0.000 2.392 763 W HA -0.052 4.608 4.660 -0.001 0.000 0.279 763 W C 2.039 178.564 176.519 0.011 0.000 1.225 763 W CA 1.471 58.834 57.345 0.029 0.000 1.233 763 W CB 0.234 29.714 29.460 0.034 0.000 1.122 763 W HN 0.803 nan 8.180 nan 0.000 0.561 764 K N 0.533 121.059 120.400 0.210 0.000 2.211 764 K HA -0.174 4.147 4.320 0.001 0.000 0.203 764 K C 1.162 177.808 176.600 0.076 0.000 1.050 764 K CA 1.738 58.098 56.287 0.123 0.000 0.945 764 K CB -0.108 32.446 32.500 0.089 0.000 0.732 764 K HN -0.002 nan 8.250 nan 0.000 0.451 765 D N 0.711 121.139 120.400 0.048 0.000 2.144 765 D HA -0.144 4.496 4.640 0.001 0.000 0.200 765 D C 1.572 177.872 176.300 0.001 0.000 0.978 765 D CA 1.197 55.206 54.000 0.015 0.000 0.833 765 D CB -0.015 40.775 40.800 -0.017 0.000 0.961 765 D HN 0.451 nan 8.370 nan 0.000 0.470 766 I N -3.127 117.440 120.570 -0.006 0.000 3.976 766 I HA 0.269 4.439 4.170 0.001 0.000 0.337 766 I C -0.289 175.841 176.117 0.021 0.000 1.359 766 I CA 0.136 61.408 61.300 -0.046 0.000 1.098 766 I CB 0.222 38.159 38.000 -0.105 0.000 1.027 766 I HN -0.219 nan 8.210 nan 0.000 0.394 767 N N 1.984 120.727 118.700 0.072 0.000 2.905 767 N HA 0.052 4.792 4.740 0.001 0.000 0.255 767 N C 0.411 175.966 175.510 0.075 0.000 1.199 767 N CA -0.078 53.021 53.050 0.082 0.000 0.911 767 N CB 1.320 39.867 38.487 0.101 0.000 1.550 767 N HN -0.027 nan 8.380 nan 0.000 0.599 768 E N 1.807 122.039 120.200 0.055 0.000 2.118 768 E HA -0.059 4.291 4.350 0.001 0.000 0.195 768 E C 0.901 177.521 176.600 0.033 0.000 0.992 768 E CA 1.072 57.498 56.400 0.044 0.000 0.804 768 E CB 0.024 29.744 29.700 0.033 0.000 0.741 768 E HN 0.666 nan 8.360 nan 0.000 0.458 769 G N 1.472 110.282 108.800 0.017 0.000 3.709 769 G HA2 0.082 4.042 3.960 0.001 0.000 0.272 769 G HA3 0.082 4.042 3.960 0.001 0.000 0.272 769 G C 0.184 175.086 174.900 0.002 0.000 1.259 769 G CA -0.192 44.909 45.100 0.001 0.000 1.512 769 G HN -0.089 nan 8.290 nan 0.000 0.625 770 Q N -0.414 119.406 119.800 0.035 0.000 2.495 770 Q HA 0.341 4.682 4.340 0.001 0.000 0.287 770 Q C -0.490 175.552 176.000 0.071 0.000 1.078 770 Q CA -0.742 55.087 55.803 0.043 0.000 0.793 770 Q CB 1.751 30.557 28.738 0.113 0.000 1.459 770 Q HN 0.165 nan 8.270 nan 0.000 0.422 771 S N 1.264 117.004 115.700 0.066 0.000 2.544 771 S HA -0.056 4.415 4.470 0.001 0.000 0.290 771 S C 0.758 175.437 174.600 0.131 0.000 1.276 771 S CA 0.048 58.296 58.200 0.081 0.000 1.075 771 S CB 0.175 63.417 63.200 0.070 0.000 0.849 771 S HN 0.605 nan 8.310 nan 0.000 0.494 772 D N 4.082 124.534 120.400 0.087 0.000 2.355 772 D HA -0.073 4.567 4.640 0.001 0.000 0.218 772 D C 0.498 176.843 176.300 0.076 0.000 1.004 772 D CA 0.095 54.142 54.000 0.079 0.000 0.880 772 D CB -0.157 40.673 40.800 0.049 0.000 0.911 772 D HN 0.502 nan 8.370 nan 0.000 0.528 773 K N 2.231 122.681 120.400 0.084 0.000 2.404 773 K HA -0.129 4.191 4.320 0.001 0.000 0.271 773 K C 0.279 176.930 176.600 0.083 0.000 1.130 773 K CA 0.122 56.455 56.287 0.078 0.000 1.181 773 K CB 0.115 32.668 32.500 0.087 0.000 0.840 773 K HN 0.428 nan 8.250 nan 0.000 0.483 774 E N 2.707 122.938 120.200 0.051 0.000 2.415 774 E HA 0.058 4.408 4.350 0.001 0.000 0.263 774 E C -0.991 175.632 176.600 0.039 0.000 0.995 774 E CA -0.508 55.912 56.400 0.033 0.000 0.915 774 E CB 1.044 30.753 29.700 0.016 0.000 0.951 774 E HN 0.153 nan 8.360 nan 0.000 0.449 775 V N 3.674 123.601 119.914 0.023 0.000 2.604 775 V HA 0.236 4.356 4.120 0.001 0.000 0.305 775 V C -0.796 175.300 176.094 0.003 0.000 1.043 775 V CA -0.653 61.666 62.300 0.031 0.000 0.888 775 V CB 1.865 33.725 31.823 0.062 0.000 0.995 775 V HN 0.834 nan 8.190 nan 0.000 0.429 776 E N 4.826 125.036 120.200 0.017 0.000 2.210 776 E HA 0.575 4.926 4.350 0.001 0.000 0.266 776 E C -1.325 175.284 176.600 0.015 0.000 0.883 776 E CA -0.935 55.472 56.400 0.013 0.000 0.761 776 E CB 2.353 32.059 29.700 0.010 0.000 1.156 776 E HN 0.446 nan 8.360 nan 0.000 0.412 777 N N 2.039 120.758 118.700 0.032 0.000 2.406 777 N HA 0.114 4.854 4.740 0.001 0.000 0.283 777 N C -1.491 174.023 175.510 0.006 0.000 1.074 777 N CA -0.582 52.462 53.050 -0.009 0.000 0.916 777 N CB 2.565 41.043 38.487 -0.016 0.000 1.639 777 N HN 0.595 nan 8.380 nan 0.000 0.485 778 E N 1.417 121.543 120.200 -0.124 0.000 2.354 778 E HA 0.414 4.765 4.350 0.001 0.000 0.269 778 E C -1.197 175.224 176.600 -0.298 0.000 1.036 778 E CA 0.093 56.438 56.400 -0.091 0.000 0.876 778 E CB 0.499 30.150 29.700 -0.082 0.000 1.009 778 E HN 0.301 nan 8.360 nan 0.000 0.416 779 F N 3.257 123.168 119.950 -0.066 0.000 2.556 779 F HA 0.372 4.900 4.527 0.001 0.000 0.314 779 F C -0.749 175.013 175.800 -0.063 0.000 1.106 779 F CA -0.859 57.098 58.000 -0.072 0.000 0.911 779 F CB 1.559 40.499 39.000 -0.100 0.000 1.190 779 F HN 0.367 nan 8.300 nan 0.000 0.448 780 L N 3.200 124.472 121.223 0.082 0.000 2.287 780 L HA 0.672 5.013 4.340 0.001 0.000 0.287 780 L C -0.912 175.960 176.870 0.002 0.000 1.022 780 L CA 0.034 54.876 54.840 0.003 0.000 0.814 780 L CB 1.162 43.164 42.059 -0.095 0.000 1.217 780 L HN 0.640 nan 8.230 nan 0.000 0.420 781 T N 5.741 120.283 114.554 -0.019 0.000 2.856 781 T HA 0.630 4.980 4.350 0.001 0.000 0.283 781 T C -0.310 174.333 174.700 -0.095 0.000 1.008 781 T CA -0.388 61.686 62.100 -0.042 0.000 0.997 781 T CB 1.749 70.597 68.868 -0.034 0.000 0.992 781 T HN 0.384 nan 8.240 nan 0.000 0.454 782 I N 2.125 122.617 120.570 -0.131 0.000 2.689 782 I HA 0.701 4.871 4.170 0.001 0.000 0.299 782 I C -0.118 175.913 176.117 -0.143 0.000 1.059 782 I CA -0.900 60.293 61.300 -0.178 0.000 1.055 782 I CB 2.290 40.090 38.000 -0.334 0.000 1.243 782 I HN 0.790 nan 8.210 nan 0.000 0.425 783 S N 3.948 119.568 115.700 -0.134 0.000 2.588 783 S HA 0.546 5.017 4.470 0.001 0.000 0.269 783 S C -1.396 173.122 174.600 -0.136 0.000 1.157 783 S CA -0.877 57.249 58.200 -0.124 0.000 0.824 783 S CB 2.740 65.876 63.200 -0.106 0.000 1.126 783 S HN 0.683 nan 8.310 nan 0.000 0.464 784 Q N 0.024 119.724 119.800 -0.167 0.000 2.347 784 Q HA 0.678 5.018 4.340 0.001 0.000 0.271 784 Q C -1.479 174.288 176.000 -0.389 0.000 1.064 784 Q CA -0.873 54.807 55.803 -0.206 0.000 0.800 784 Q CB 2.367 31.051 28.738 -0.091 0.000 1.304 784 Q HN 1.050 nan 8.270 nan 0.000 0.438 785 A N 3.130 125.760 122.820 -0.318 0.000 2.287 785 A HA 0.458 4.778 4.320 0.001 0.000 0.317 785 A C -1.135 176.291 177.584 -0.264 0.000 1.220 785 A CA -0.609 51.237 52.037 -0.318 0.000 0.835 785 A CB 0.376 19.284 19.000 -0.153 0.000 1.180 785 A HN 0.675 nan 8.150 nan 0.000 0.500 786 H N 3.818 122.887 119.070 -0.002 0.000 2.818 786 H HA 0.170 4.726 4.556 0.000 0.000 0.269 786 H C 0.401 175.727 175.328 -0.003 0.000 1.277 786 H CA -0.431 55.623 56.048 0.010 0.000 1.290 786 H CB 0.618 30.393 29.762 0.023 0.000 1.479 786 H HN 0.705 nan 8.280 nan 0.000 0.507 787 K N 1.070 121.517 120.400 0.078 0.000 2.021 787 K HA -0.050 4.270 4.320 0.001 0.000 0.205 787 K C 0.636 177.257 176.600 0.035 0.000 1.047 787 K CA 0.599 56.907 56.287 0.034 0.000 0.943 787 K CB 0.292 32.800 32.500 0.013 0.000 0.725 787 K HN 0.298 nan 8.250 nan 0.000 0.439 788 Q N 1.691 121.515 119.800 0.040 0.000 2.235 788 Q HA 0.166 4.506 4.340 0.001 0.000 0.250 788 Q C -0.756 175.253 176.000 0.016 0.000 0.909 788 Q CA -0.182 55.633 55.803 0.021 0.000 0.910 788 Q CB 0.967 29.714 28.738 0.016 0.000 1.223 788 Q HN 0.063 nan 8.270 nan 0.000 0.432 789 N N 1.822 120.521 118.700 -0.002 0.000 2.406 789 N HA 0.321 5.061 4.740 0.001 0.000 0.269 789 N C -0.096 175.397 175.510 -0.028 0.000 1.210 789 N CA 0.571 53.611 53.050 -0.017 0.000 0.966 789 N CB 0.458 38.930 38.487 -0.024 0.000 1.293 789 N HN 0.774 nan 8.380 nan 0.000 0.491 790 G N 1.122 109.899 108.800 -0.037 0.000 2.263 790 G HA2 -0.149 3.811 3.960 0.001 0.000 0.207 790 G HA3 -0.149 3.811 3.960 0.001 0.000 0.207 790 G C -0.584 174.290 174.900 -0.044 0.000 1.072 790 G CA -0.674 44.395 45.100 -0.052 0.000 0.800 790 G HN 0.422 nan 8.290 nan 0.000 0.491 791 D N 0.382 120.753 120.400 -0.049 0.000 2.388 791 D HA 0.734 5.374 4.640 0.001 0.000 0.254 791 D C 0.497 176.752 176.300 -0.075 0.000 1.111 791 D CA 0.647 54.627 54.000 -0.032 0.000 0.993 791 D CB 1.887 42.692 40.800 0.009 0.000 1.118 791 D HN 0.483 nan 8.370 nan 0.000 0.502 792 S N 0.027 115.719 115.700 -0.014 0.000 2.632 792 S HA 0.694 5.165 4.470 0.001 0.000 0.289 792 S C -1.320 173.386 174.600 0.177 0.000 1.115 792 S CA -0.763 57.448 58.200 0.018 0.000 0.889 792 S CB 1.715 64.928 63.200 0.021 0.000 1.116 792 S HN 0.483 nan 8.310 nan 0.000 0.486 793 Y N -1.397 118.949 120.300 0.076 0.000 2.441 793 Y HA 0.770 5.320 4.550 0.000 0.000 0.334 793 Y C -0.636 175.414 175.900 0.250 0.000 1.061 793 Y CA -0.718 57.529 58.100 0.244 0.000 1.032 793 Y CB 1.152 39.823 38.460 0.352 0.000 1.266 793 Y HN 1.070 nan 8.280 nan 0.000 0.441 794 G N 4.080 113.054 108.800 0.290 0.000 2.417 794 G HA2 0.500 4.461 3.960 0.001 0.000 0.282 794 G HA3 0.500 4.461 3.960 0.001 0.000 0.282 794 G C -2.141 172.918 174.900 0.266 0.000 1.388 794 G CA -0.619 44.598 45.100 0.195 0.000 1.276 794 G HN 1.096 nan 8.290 nan 0.000 0.602 795 Y N -0.086 120.196 120.300 -0.030 0.000 2.705 795 Y HA 0.877 5.428 4.550 0.000 0.000 0.332 795 Y C -1.103 174.551 175.900 -0.410 0.000 1.221 795 Y CA -2.143 55.626 58.100 -0.552 0.000 1.059 795 Y CB 2.050 40.115 38.460 -0.659 0.000 1.298 795 Y HN 0.512 nan 8.280 nan 0.000 0.459 796 M N 2.995 122.383 119.600 -0.354 0.000 2.267 796 M HA 0.549 5.030 4.480 0.001 0.000 0.289 796 M C -2.349 173.973 176.300 0.036 0.000 1.043 796 M CA -0.824 54.389 55.300 -0.146 0.000 0.928 796 M CB 1.986 34.471 32.600 -0.192 0.000 1.613 796 M HN 0.816 nan 8.290 nan 0.000 0.450 797 L N 6.679 127.935 121.223 0.055 0.000 2.265 797 L HA 0.664 5.004 4.340 0.001 0.000 0.289 797 L C -1.634 175.167 176.870 -0.116 0.000 1.033 797 L CA -0.142 54.639 54.840 -0.098 0.000 0.814 797 L CB 0.505 42.549 42.059 -0.025 0.000 1.203 797 L HN 0.768 nan 8.230 nan 0.000 0.423 798 I N 8.199 128.732 120.570 -0.062 0.000 2.405 798 I HA 0.421 4.591 4.170 0.001 0.000 0.280 798 I C -2.151 173.887 176.117 -0.131 0.000 1.027 798 I CA -1.686 59.605 61.300 -0.015 0.000 1.161 798 I CB 1.209 39.375 38.000 0.277 0.000 1.300 798 I HN 0.498 nan 8.210 nan 0.000 0.463 799 P HA 0.324 nan 4.420 nan 0.000 0.284 799 P C -0.435 176.768 177.300 -0.161 0.000 1.292 799 P CA -0.450 62.465 63.100 -0.309 0.000 0.800 799 P CB 0.590 31.986 31.700 -0.506 0.000 1.188 800 N N -3.547 115.113 118.700 -0.067 0.000 2.661 800 N HA -0.159 4.581 4.740 0.001 0.000 0.249 800 N C -0.310 175.249 175.510 0.082 0.000 1.142 800 N CA 0.854 53.930 53.050 0.043 0.000 0.727 800 N CB -1.846 36.713 38.487 0.120 0.000 1.099 800 N HN 0.270 nan 8.380 nan 0.000 0.558 801 V N 0.814 120.792 119.914 0.106 0.000 2.417 801 V HA 0.351 4.471 4.120 0.001 0.000 0.291 801 V C -0.202 176.052 176.094 0.266 0.000 1.024 801 V CA -0.918 61.490 62.300 0.181 0.000 0.861 801 V CB 1.287 33.262 31.823 0.254 0.000 0.985 801 V HN 0.303 nan 8.190 nan 0.000 0.436 802 D N 5.487 126.003 120.400 0.193 0.000 2.360 802 D HA 0.057 4.697 4.640 0.001 0.000 0.242 802 D C 1.037 177.388 176.300 0.085 0.000 1.184 802 D CA -0.363 53.755 54.000 0.197 0.000 0.930 802 D CB 0.834 41.688 40.800 0.091 0.000 1.161 802 D HN 0.597 nan 8.370 nan 0.000 0.447 803 R N 0.664 121.088 120.500 -0.128 0.000 2.096 803 R HA -0.217 4.124 4.340 0.001 0.000 0.240 803 R C 2.090 178.138 176.300 -0.420 0.000 1.139 803 R CA 1.886 57.504 56.100 -0.804 0.000 0.952 803 R CB -0.704 29.212 30.300 -0.639 0.000 0.854 803 R HN 0.611 nan 8.270 nan 0.000 0.436 804 A N -0.096 122.597 122.820 -0.212 0.000 1.892 804 A HA -0.186 4.134 4.320 0.001 0.000 0.218 804 A C 2.204 179.724 177.584 -0.108 0.000 1.188 804 A CA 2.280 54.233 52.037 -0.140 0.000 0.631 804 A CB -0.961 17.991 19.000 -0.081 0.000 0.822 804 A HN 0.518 nan 8.150 nan 0.000 0.447 805 T N -1.338 113.179 114.554 -0.061 0.000 2.896 805 T HA -0.036 4.315 4.350 0.001 0.000 0.263 805 T C 1.566 176.250 174.700 -0.028 0.000 1.050 805 T CA 1.182 63.264 62.100 -0.030 0.000 1.140 805 T CB -0.336 68.543 68.868 0.018 0.000 0.877 805 T HN 0.448 nan 8.240 nan 0.000 0.457 806 F N 2.904 122.750 119.950 -0.173 0.000 2.202 806 F HA -0.108 4.419 4.527 0.000 0.000 0.301 806 F C 1.983 177.669 175.800 -0.190 0.000 1.082 806 F CA 0.954 58.862 58.000 -0.153 0.000 1.313 806 F CB -0.330 38.543 39.000 -0.213 0.000 1.024 806 F HN 0.051 nan 8.300 nan 0.000 0.495 807 N N 0.020 118.589 118.700 -0.218 0.000 2.270 807 N HA -0.147 4.593 4.740 0.001 0.000 0.181 807 N C 1.654 177.000 175.510 -0.273 0.000 1.016 807 N CA 0.863 53.752 53.050 -0.267 0.000 0.870 807 N CB -0.387 37.993 38.487 -0.178 0.000 0.979 807 N HN 0.312 nan 8.380 nan 0.000 0.431 808 Q N 0.136 119.809 119.800 -0.212 0.000 2.451 808 Q HA 0.205 4.545 4.340 0.001 0.000 0.206 808 Q C 1.653 177.527 176.000 -0.210 0.000 0.947 808 Q CA 0.426 56.121 55.803 -0.181 0.000 0.937 808 Q CB 0.034 28.698 28.738 -0.123 0.000 1.025 808 Q HN 0.307 nan 8.270 nan 0.000 0.511 809 M N -0.943 118.489 119.600 -0.279 0.000 2.357 809 M HA 0.069 4.549 4.480 0.001 0.000 0.266 809 M C 1.598 177.661 176.300 -0.394 0.000 1.095 809 M CA 0.784 55.913 55.300 -0.285 0.000 1.156 809 M CB 0.123 32.564 32.600 -0.264 0.000 1.365 809 M HN 0.388 nan 8.290 nan 0.000 0.447 810 I N -2.506 117.704 120.570 -0.601 0.000 2.439 810 I HA -0.169 4.001 4.170 0.001 0.000 0.251 810 I C 2.094 177.841 176.117 -0.616 0.000 1.139 810 I CA 1.368 62.148 61.300 -0.868 0.000 1.438 810 I CB -0.629 36.694 38.000 -1.130 0.000 1.085 810 I HN 0.171 nan 8.210 nan 0.000 0.427 811 K N 1.319 121.487 120.400 -0.387 0.000 2.217 811 K HA -0.123 4.197 4.320 0.001 0.000 0.202 811 K C 2.056 178.546 176.600 -0.184 0.000 1.051 811 K CA 1.026 57.170 56.287 -0.239 0.000 0.952 811 K CB 0.019 32.414 32.500 -0.176 0.000 0.736 811 K HN 0.411 nan 8.250 nan 0.000 0.453 812 E N -0.032 120.049 120.200 -0.198 0.000 2.268 812 E HA -0.073 4.277 4.350 0.001 0.000 0.195 812 E C 0.278 176.793 176.600 -0.141 0.000 0.995 812 E CA 0.679 56.986 56.400 -0.155 0.000 0.836 812 E CB 0.294 29.903 29.700 -0.152 0.000 0.763 812 E HN 0.254 nan 8.360 nan 0.000 0.491 813 L N 0.910 122.050 121.223 -0.139 0.000 3.186 813 L HA 0.149 4.489 4.340 0.001 0.000 0.292 813 L C 1.383 178.310 176.870 0.095 0.000 1.303 813 L CA -0.315 54.504 54.840 -0.034 0.000 0.940 813 L CB 0.487 42.569 42.059 0.039 0.000 1.358 813 L HN 0.068 nan 8.230 nan 0.000 0.581 814 E N -0.612 119.599 120.200 0.017 0.000 2.106 814 E HA -0.118 4.232 4.350 0.001 0.000 0.192 814 E C 0.875 177.575 176.600 0.167 0.000 0.984 814 E CA 1.226 57.694 56.400 0.114 0.000 0.806 814 E CB 0.136 29.851 29.700 0.024 0.000 0.750 814 E HN 0.322 nan 8.360 nan 0.000 0.458 815 S N 0.757 116.500 115.700 0.072 0.000 2.575 815 S HA 0.051 4.522 4.470 0.001 0.000 0.237 815 S C 1.347 175.945 174.600 -0.003 0.000 0.975 815 S CA 0.294 58.520 58.200 0.043 0.000 0.960 815 S CB 0.497 63.718 63.200 0.034 0.000 0.822 815 S HN 0.422 nan 8.310 nan 0.000 0.472 816 S N 1.088 116.775 115.700 -0.022 0.000 2.481 816 S HA 0.069 4.539 4.470 0.001 0.000 0.231 816 S C 0.681 175.109 174.600 -0.288 0.000 0.996 816 S CA 0.058 58.187 58.200 -0.118 0.000 0.942 816 S CB -0.326 62.844 63.200 -0.050 0.000 0.768 816 S HN 0.337 nan 8.310 nan 0.000 0.520 817 L N 2.948 123.908 121.223 -0.439 0.000 2.407 817 L HA 0.325 4.665 4.340 0.001 0.000 0.282 817 L C 0.729 177.460 176.870 -0.232 0.000 1.110 817 L CA -0.525 53.983 54.840 -0.553 0.000 0.863 817 L CB -0.342 41.332 42.059 -0.642 0.000 1.207 817 L HN 0.133 nan 8.230 nan 0.000 0.454 818 I N 2.804 123.276 120.570 -0.163 0.000 2.162 818 I HA 0.044 4.215 4.170 0.001 0.000 0.238 818 I C 0.788 176.862 176.117 -0.071 0.000 1.076 818 I CA 0.881 62.157 61.300 -0.040 0.000 1.353 818 I CB -0.590 37.449 38.000 0.065 0.000 1.063 818 I HN 0.638 nan 8.210 nan 0.000 0.408 819 E N -0.363 119.776 120.200 -0.101 0.000 2.375 819 E HA 0.313 4.664 4.350 0.001 0.000 0.280 819 E C -0.647 175.900 176.600 -0.089 0.000 0.972 819 E CA -0.364 55.991 56.400 -0.076 0.000 0.782 819 E CB 1.196 30.875 29.700 -0.034 0.000 1.229 819 E HN 0.156 nan 8.360 nan 0.000 0.439 820 N N 3.075 121.735 118.700 -0.066 0.000 2.620 820 N HA 0.085 4.825 4.740 0.001 0.000 0.277 820 N C -1.051 174.435 175.510 -0.039 0.000 1.726 820 N CA -0.180 52.836 53.050 -0.056 0.000 0.840 820 N CB -0.003 38.433 38.487 -0.086 0.000 1.379 820 N HN 0.487 nan 8.380 nan 0.000 0.506 821 N N -0.250 118.436 118.700 -0.024 0.000 2.725 821 N HA 0.092 4.832 4.740 0.001 0.000 0.312 821 N C 1.079 176.567 175.510 -0.036 0.000 1.295 821 N CA -0.432 52.599 53.050 -0.032 0.000 0.914 821 N CB 0.219 38.690 38.487 -0.027 0.000 1.177 821 N HN 0.107 nan 8.380 nan 0.000 0.601 822 E N -1.565 118.599 120.200 -0.060 0.000 2.347 822 E HA -0.140 4.210 4.350 0.001 0.000 0.196 822 E C 0.221 176.789 176.600 -0.054 0.000 1.008 822 E CA 1.664 58.001 56.400 -0.105 0.000 0.852 822 E CB -0.427 29.198 29.700 -0.125 0.000 0.783 822 E HN 0.779 nan 8.360 nan 0.000 0.505 823 T N -1.797 112.754 114.554 -0.004 0.000 3.111 823 T HA 0.390 4.741 4.350 0.001 0.000 0.284 823 T C -0.124 174.653 174.700 0.128 0.000 0.983 823 T CA -0.560 61.568 62.100 0.048 0.000 0.900 823 T CB 0.394 69.294 68.868 0.052 0.000 1.132 823 T HN 0.045 nan 8.240 nan 0.000 0.531 824 L N 1.598 122.885 121.223 0.107 0.000 2.565 824 L HA 0.565 4.906 4.340 0.001 0.000 0.261 824 L C -2.038 174.905 176.870 0.123 0.000 0.932 824 L CA -0.442 54.479 54.840 0.135 0.000 0.878 824 L CB 2.323 44.426 42.059 0.073 0.000 1.333 824 L HN 0.275 nan 8.230 nan 0.000 0.409 825 Q N 2.933 122.851 119.800 0.196 0.000 2.271 825 Q HA 0.802 5.142 4.340 0.001 0.000 0.268 825 Q C -1.351 174.805 176.000 0.260 0.000 1.021 825 Q CA -0.744 55.174 55.803 0.193 0.000 0.802 825 Q CB 2.553 31.459 28.738 0.279 0.000 1.282 825 Q HN 0.611 nan 8.270 nan 0.000 0.431 826 S N 1.211 116.897 115.700 -0.024 0.000 2.543 826 S HA 0.701 5.171 4.470 0.001 0.000 0.274 826 S C -1.450 172.906 174.600 -0.407 0.000 1.149 826 S CA -0.500 57.636 58.200 -0.107 0.000 0.866 826 S CB 1.573 64.851 63.200 0.131 0.000 1.111 826 S HN 0.350 nan 8.310 nan 0.000 0.457 827 V N 3.158 122.781 119.914 -0.484 0.000 2.960 827 V HA 0.693 4.813 4.120 0.001 0.000 0.315 827 V C -1.283 174.783 176.094 -0.046 0.000 1.087 827 V CA -0.877 61.213 62.300 -0.350 0.000 0.982 827 V CB 1.713 33.255 31.823 -0.468 0.000 1.039 827 V HN 0.893 nan 8.190 nan 0.000 0.437 828 Y N 2.093 122.234 120.300 -0.265 0.000 2.350 828 Y HA 0.630 5.180 4.550 0.000 0.000 0.338 828 Y C -0.854 174.835 175.900 -0.351 0.000 0.961 828 Y CA -2.065 55.752 58.100 -0.472 0.000 1.100 828 Y CB 1.673 39.853 38.460 -0.465 0.000 1.179 828 Y HN 0.818 nan 8.280 nan 0.000 0.454 829 D N 4.623 124.834 120.400 -0.316 0.000 2.485 829 D HA 0.413 5.054 4.640 0.001 0.000 0.229 829 D C 0.325 176.240 176.300 -0.643 0.000 1.101 829 D CA -0.005 53.761 54.000 -0.390 0.000 0.906 829 D CB 0.921 41.621 40.800 -0.166 0.000 1.019 829 D HN 0.641 nan 8.370 nan 0.000 0.516 830 A N 4.061 126.261 122.820 -1.032 0.000 2.168 830 A HA -0.047 4.274 4.320 0.001 0.000 0.215 830 A C 1.988 179.346 177.584 -0.377 0.000 1.152 830 A CA 0.724 52.162 52.037 -0.999 0.000 0.716 830 A CB -0.195 18.197 19.000 -1.014 0.000 0.794 830 A HN 0.513 nan 8.150 nan 0.000 0.465 831 K N -0.374 119.858 120.400 -0.280 0.000 2.001 831 K HA -0.128 4.193 4.320 0.001 0.000 0.208 831 K C 2.213 178.750 176.600 -0.106 0.000 1.048 831 K CA 1.645 57.840 56.287 -0.153 0.000 0.932 831 K CB -0.161 32.265 32.500 -0.123 0.000 0.715 831 K HN 0.563 nan 8.250 nan 0.000 0.437 832 Q N -0.820 118.916 119.800 -0.106 0.000 2.172 832 Q HA 0.003 4.343 4.340 0.001 0.000 0.200 832 Q C 0.231 176.212 176.000 -0.033 0.000 0.964 832 Q CA 0.865 56.634 55.803 -0.056 0.000 0.855 832 Q CB 0.270 28.982 28.738 -0.043 0.000 0.918 832 Q HN 0.572 nan 8.270 nan 0.000 0.444 833 G N 0.794 109.560 108.800 -0.057 0.000 2.531 833 G HA2 -0.181 3.780 3.960 0.001 0.000 0.283 833 G HA3 -0.181 3.780 3.960 0.001 0.000 0.283 833 G C -0.666 174.241 174.900 0.012 0.000 1.068 833 G CA -0.080 45.039 45.100 0.032 0.000 1.273 833 G HN 0.156 nan 8.290 nan 0.000 0.532 834 V N 2.925 122.798 119.914 -0.068 0.000 2.567 834 V HA 0.484 4.605 4.120 0.001 0.000 0.298 834 V C 0.055 176.149 176.094 -0.000 0.000 1.047 834 V CA -1.225 61.099 62.300 0.040 0.000 0.880 834 V CB 1.493 33.350 31.823 0.056 0.000 1.009 834 V HN 0.515 nan 8.190 nan 0.000 0.429 835 W N 2.751 124.202 121.300 0.251 0.000 2.315 835 W HA 0.627 5.287 4.660 0.000 0.000 0.316 835 W C 0.658 177.316 176.519 0.231 0.000 1.211 835 W CA -0.406 57.082 57.345 0.238 0.000 1.201 835 W CB 2.050 31.670 29.460 0.267 0.000 1.184 835 W HN 0.711 nan 8.180 nan 0.000 0.544 836 G N 3.770 112.833 108.800 0.438 0.000 2.372 836 G HA2 0.742 4.702 3.960 0.001 0.000 0.323 836 G HA3 0.742 4.702 3.960 0.001 0.000 0.323 836 G C -1.118 174.169 174.900 0.645 0.000 1.152 836 G CA -0.599 44.833 45.100 0.554 0.000 0.906 836 G HN 0.397 nan 8.290 nan 0.000 0.460 837 I N 1.091 121.992 120.570 0.553 0.000 2.802 837 I HA 0.441 4.611 4.170 0.001 0.000 0.298 837 I C -1.016 175.354 176.117 0.421 0.000 1.176 837 I CA -1.152 60.425 61.300 0.462 0.000 1.025 837 I CB 2.778 40.936 38.000 0.263 0.000 1.243 837 I HN 0.174 nan 8.210 nan 0.000 0.424 838 V N 4.631 124.772 119.914 0.380 0.000 2.614 838 V HA 0.277 4.397 4.120 0.001 0.000 0.281 838 V C -0.308 175.986 176.094 0.333 0.000 1.031 838 V CA -0.895 61.608 62.300 0.339 0.000 0.899 838 V CB 1.546 33.528 31.823 0.266 0.000 1.037 838 V HN 0.689 nan 8.190 nan 0.000 0.456 839 K N 2.449 123.045 120.400 0.327 0.000 2.090 839 K HA 0.588 4.909 4.320 0.001 0.000 0.249 839 K C -0.347 176.347 176.600 0.156 0.000 0.995 839 K CA -0.499 55.951 56.287 0.272 0.000 0.914 839 K CB 1.556 34.203 32.500 0.244 0.000 1.057 839 K HN 0.517 nan 8.250 nan 0.000 0.462 840 Y N 0.095 120.354 120.300 -0.068 0.000 2.664 840 Y HA -0.011 4.539 4.550 -0.000 0.000 0.278 840 Y C 0.555 176.348 175.900 -0.179 0.000 1.130 840 Y CA -0.076 57.843 58.100 -0.302 0.000 1.260 840 Y CB 0.266 38.513 38.460 -0.354 0.000 1.369 840 Y HN 0.745 nan 8.280 nan 0.000 0.499 841 D N -1.154 119.302 120.400 0.093 0.000 2.466 841 D HA 0.120 4.760 4.640 0.001 0.000 0.262 841 D C -0.571 175.773 176.300 0.074 0.000 1.177 841 D CA -0.326 53.709 54.000 0.058 0.000 1.035 841 D CB 0.700 41.531 40.800 0.052 0.000 1.105 841 D HN -0.033 nan 8.370 nan 0.000 0.551 842 D N -1.216 119.220 120.400 0.059 0.000 2.388 842 D HA 0.129 4.769 4.640 0.001 0.000 0.221 842 D C 0.067 176.397 176.300 0.050 0.000 1.133 842 D CA -0.144 53.896 54.000 0.067 0.000 0.831 842 D CB 0.224 41.056 40.800 0.052 0.000 0.962 842 D HN 0.428 nan 8.370 nan 0.000 0.502 843 S N -0.925 114.800 115.700 0.041 0.000 2.626 843 S HA 0.227 4.698 4.470 0.001 0.000 0.257 843 S C 0.379 174.985 174.600 0.011 0.000 1.288 843 S CA -0.763 57.449 58.200 0.020 0.000 0.980 843 S CB 1.114 64.322 63.200 0.013 0.000 0.975 843 S HN -0.094 nan 8.310 nan 0.000 0.577 844 V N 2.120 122.027 119.914 -0.011 0.000 2.240 844 V HA 0.318 4.438 4.120 0.001 0.000 0.265 844 V C -0.206 175.857 176.094 -0.051 0.000 1.073 844 V CA -0.542 61.739 62.300 -0.031 0.000 0.857 844 V CB -0.157 31.641 31.823 -0.041 0.000 1.114 844 V HN 0.820 nan 8.190 nan 0.000 0.469 845 S N 2.819 118.486 115.700 -0.055 0.000 2.439 845 S HA 0.311 4.782 4.470 0.001 0.000 0.282 845 S C 0.572 175.092 174.600 -0.133 0.000 1.170 845 S CA -0.317 57.836 58.200 -0.079 0.000 1.054 845 S CB 0.777 63.942 63.200 -0.059 0.000 0.956 845 S HN 0.686 nan 8.310 nan 0.000 0.490 846 T N 5.105 119.562 114.554 -0.162 0.000 2.729 846 T HA 0.320 4.671 4.350 0.001 0.000 0.296 846 T C 0.052 174.549 174.700 -0.340 0.000 0.928 846 T CA -0.375 61.576 62.100 -0.248 0.000 1.045 846 T CB -0.046 68.699 68.868 -0.204 0.000 0.902 846 T HN 0.320 nan 8.240 nan 0.000 0.500 847 I N 2.609 122.820 120.570 -0.598 0.000 2.377 847 I HA 0.304 4.475 4.170 0.001 0.000 0.293 847 I C 1.279 176.843 176.117 -0.923 0.000 0.987 847 I CA -0.611 60.253 61.300 -0.726 0.000 1.185 847 I CB 0.916 38.408 38.000 -0.848 0.000 1.341 847 I HN 0.740 nan 8.210 nan 0.000 0.455 848 S N 4.556 119.967 115.700 -0.482 0.000 3.319 848 S HA -0.296 4.174 4.470 0.001 0.000 0.319 848 S C 1.070 175.498 174.600 -0.286 0.000 1.236 848 S CA 1.431 59.458 58.200 -0.288 0.000 0.964 848 S CB -1.024 62.053 63.200 -0.205 0.000 1.040 848 S HN 0.883 nan 8.310 nan 0.000 0.620 849 N N -1.131 117.370 118.700 -0.331 0.000 2.828 849 N HA -0.224 4.517 4.740 0.001 0.000 0.248 849 N C 0.549 175.908 175.510 -0.253 0.000 1.044 849 N CA 1.996 54.903 53.050 -0.239 0.000 0.851 849 N CB -0.888 37.527 38.487 -0.120 0.000 1.136 849 N HN 0.787 nan 8.380 nan 0.000 0.572 850 Q N -1.794 117.755 119.800 -0.418 0.000 2.481 850 Q HA 0.293 4.633 4.340 0.001 0.000 0.219 850 Q C 0.271 176.112 176.000 -0.266 0.000 0.920 850 Q CA 1.090 56.741 55.803 -0.254 0.000 0.915 850 Q CB 0.436 29.099 28.738 -0.124 0.000 1.057 850 Q HN 0.480 nan 8.270 nan 0.000 0.581 851 F N -1.675 118.029 119.950 -0.409 0.000 2.849 851 F HA 0.674 5.201 4.527 0.000 0.000 0.341 851 F C -0.797 174.778 175.800 -0.376 0.000 1.185 851 F CA -1.319 56.392 58.000 -0.480 0.000 1.007 851 F CB 1.064 39.722 39.000 -0.570 0.000 1.454 851 F HN -0.327 nan 8.300 nan 0.000 0.518 852 Q N 0.128 119.890 119.800 -0.063 0.000 2.496 852 Q HA 0.785 5.126 4.340 0.001 0.000 0.286 852 Q C -1.659 174.404 176.000 0.106 0.000 1.103 852 Q CA -1.332 54.438 55.803 -0.055 0.000 0.813 852 Q CB 3.252 31.914 28.738 -0.127 0.000 1.444 852 Q HN 0.702 nan 8.270 nan 0.000 0.443 853 V N -0.620 119.297 119.914 0.005 0.000 2.623 853 V HA 0.455 4.576 4.120 0.001 0.000 0.304 853 V C -0.410 175.679 176.094 -0.009 0.000 1.054 853 V CA -0.700 61.570 62.300 -0.049 0.000 0.882 853 V CB 0.991 32.532 31.823 -0.471 0.000 1.002 853 V HN 0.800 nan 8.190 nan 0.000 0.424 854 L N 0.835 122.117 121.223 0.097 0.000 2.906 854 L HA 0.632 4.973 4.340 0.001 0.000 0.255 854 L C 0.516 177.449 176.870 0.105 0.000 1.166 854 L CA 0.030 54.911 54.840 0.069 0.000 0.977 854 L CB -0.027 42.049 42.059 0.028 0.000 1.313 854 L HN 0.500 nan 8.230 nan 0.000 0.549 855 K N 1.388 121.919 120.400 0.217 0.000 2.502 855 K HA 0.380 4.701 4.320 0.001 0.000 0.257 855 K C -0.993 175.817 176.600 0.350 0.000 0.938 855 K CA -0.715 55.697 56.287 0.208 0.000 0.819 855 K CB 3.125 35.662 32.500 0.062 0.000 1.333 855 K HN -0.037 nan 8.250 nan 0.000 0.434 856 R N 0.563 121.218 120.500 0.257 0.000 2.538 856 R HA 0.281 4.622 4.340 0.001 0.000 0.282 856 R C 0.302 176.845 176.300 0.406 0.000 1.009 856 R CA 1.386 57.643 56.100 0.261 0.000 1.063 856 R CB -0.014 30.372 30.300 0.144 0.000 0.945 856 R HN 0.847 nan 8.270 nan 0.000 0.414 857 G N 1.560 110.623 108.800 0.438 0.000 2.291 857 G HA2 0.100 4.061 3.960 0.001 0.000 0.249 857 G HA3 0.100 4.061 3.960 0.001 0.000 0.249 857 G C -1.699 173.281 174.900 0.133 0.000 1.340 857 G CA -0.379 44.823 45.100 0.170 0.000 1.017 857 G HN 0.573 nan 8.290 nan 0.000 0.470 858 V N 0.421 120.177 119.914 -0.264 0.000 2.735 858 V HA 0.804 4.924 4.120 0.001 0.000 0.310 858 V C -1.151 174.886 176.094 -0.096 0.000 1.061 858 V CA -0.706 61.569 62.300 -0.041 0.000 0.913 858 V CB 1.577 33.313 31.823 -0.145 0.000 1.005 858 V HN 0.733 nan 8.190 nan 0.000 0.428 859 Y N 0.696 121.049 120.300 0.088 0.000 2.602 859 Y HA 0.819 5.370 4.550 0.001 0.000 0.342 859 Y C 0.243 176.209 175.900 0.110 0.000 1.029 859 Y CA -1.127 57.048 58.100 0.126 0.000 1.080 859 Y CB 2.594 41.157 38.460 0.171 0.000 1.284 859 Y HN 0.542 nan 8.280 nan 0.000 0.485 860 T N 3.417 118.119 114.554 0.246 0.000 3.237 860 T HA 0.606 4.957 4.350 0.001 0.000 0.319 860 T C -1.252 173.531 174.700 0.139 0.000 1.037 860 T CA -0.501 61.713 62.100 0.191 0.000 1.048 860 T CB 0.518 69.454 68.868 0.114 0.000 1.081 860 T HN 0.389 nan 8.240 nan 0.000 0.455 861 I N 2.534 123.211 120.570 0.178 0.000 2.619 861 I HA 0.588 4.758 4.170 0.001 0.000 0.292 861 I C -0.374 175.885 176.117 0.236 0.000 1.100 861 I CA -0.925 60.445 61.300 0.116 0.000 1.043 861 I CB 2.827 40.812 38.000 -0.026 0.000 1.239 861 I HN 0.404 nan 8.210 nan 0.000 0.420 862 R N 4.520 125.121 120.500 0.168 0.000 2.686 862 R HA 0.467 4.807 4.340 0.001 0.000 0.283 862 R C -1.309 175.059 176.300 0.115 0.000 0.978 862 R CA -0.804 55.402 56.100 0.177 0.000 0.897 862 R CB 2.643 32.994 30.300 0.085 0.000 1.192 862 R HN 0.633 nan 8.270 nan 0.000 0.457 863 K N 2.838 123.309 120.400 0.120 0.000 2.234 863 K HA 0.135 4.455 4.320 0.001 0.000 0.277 863 K C -0.944 175.624 176.600 -0.053 0.000 1.038 863 K CA -0.271 55.946 56.287 -0.116 0.000 0.888 863 K CB 0.830 33.294 32.500 -0.061 0.000 1.091 863 K HN 0.690 nan 8.250 nan 0.000 0.467 864 E N 3.571 123.718 120.200 -0.088 0.000 3.626 864 E HA 0.363 4.713 4.350 0.001 0.000 0.245 864 E C -0.016 176.559 176.600 -0.043 0.000 1.236 864 E CA -0.932 55.444 56.400 -0.039 0.000 1.072 864 E CB 0.975 30.665 29.700 -0.017 0.000 1.309 864 E HN 0.804 nan 8.360 nan 0.000 0.400 865 G N 1.542 110.312 108.800 -0.049 0.000 2.247 865 G HA2 -0.147 3.813 3.960 0.001 0.000 0.229 865 G HA3 -0.147 3.813 3.960 0.001 0.000 0.229 865 G C -0.962 173.913 174.900 -0.042 0.000 1.345 865 G CA -0.333 44.749 45.100 -0.031 0.000 1.100 865 G HN 0.172 nan 8.290 nan 0.000 0.473 866 D N 1.272 121.663 120.400 -0.016 0.000 2.358 866 D HA 0.326 4.966 4.640 0.001 0.000 0.224 866 D C 0.690 177.006 176.300 0.026 0.000 1.123 866 D CA 0.731 54.736 54.000 0.009 0.000 0.833 866 D CB 1.331 42.153 40.800 0.037 0.000 0.946 866 D HN 0.465 nan 8.370 nan 0.000 0.505 867 E N -1.040 119.129 120.200 -0.052 0.000 2.391 867 E HA 0.389 4.740 4.350 0.001 0.000 0.256 867 E C -1.417 175.055 176.600 -0.212 0.000 0.975 867 E CA -0.657 55.768 56.400 0.042 0.000 0.881 867 E CB 1.667 31.451 29.700 0.140 0.000 1.728 867 E HN -0.150 nan 8.360 nan 0.000 0.446 868 Y N 0.233 120.576 120.300 0.071 0.000 2.512 868 Y HA 0.390 4.941 4.550 0.001 0.000 0.348 868 Y C -0.627 175.212 175.900 -0.102 0.000 0.990 868 Y CA -0.802 57.285 58.100 -0.022 0.000 1.033 868 Y CB 2.069 40.485 38.460 -0.072 0.000 1.259 868 Y HN 0.147 nan 8.280 nan 0.000 0.461 869 K N 3.657 124.062 120.400 0.008 0.000 2.449 869 K HA 0.636 4.957 4.320 0.001 0.000 0.257 869 K C -1.829 174.719 176.600 -0.087 0.000 0.989 869 K CA -0.348 55.920 56.287 -0.032 0.000 0.916 869 K CB 0.459 32.955 32.500 -0.006 0.000 1.136 869 K HN 0.620 nan 8.250 nan 0.000 0.439 870 I N 2.868 123.354 120.570 -0.141 0.000 2.474 870 I HA 0.450 4.621 4.170 0.001 0.000 0.294 870 I C -0.640 175.435 176.117 -0.070 0.000 1.005 870 I CA -0.484 60.700 61.300 -0.193 0.000 1.113 870 I CB 2.234 39.991 38.000 -0.404 0.000 1.289 870 I HN 0.639 nan 8.210 nan 0.000 0.436 871 A N 5.720 128.530 122.820 -0.017 0.000 2.651 871 A HA 0.515 4.835 4.320 0.001 0.000 0.290 871 A C -1.485 176.117 177.584 0.030 0.000 1.185 871 A CA -0.414 51.629 52.037 0.011 0.000 0.746 871 A CB 0.252 19.252 19.000 0.000 0.000 1.213 871 A HN 0.637 nan 8.150 nan 0.000 0.429 872 Y N 2.349 122.562 120.300 -0.145 0.000 2.360 872 Y HA 0.658 5.209 4.550 0.001 0.000 0.337 872 Y C -1.436 174.396 175.900 -0.112 0.000 1.039 872 Y CA -1.094 56.829 58.100 -0.295 0.000 1.109 872 Y CB 1.335 39.500 38.460 -0.492 0.000 1.201 872 Y HN 0.598 nan 8.280 nan 0.000 0.458 873 Y N 6.511 126.248 120.300 -0.939 0.000 2.363 873 Y HA 0.348 4.897 4.550 -0.001 0.000 0.325 873 Y C -0.993 174.287 175.900 -1.032 0.000 0.984 873 Y CA -1.779 55.866 58.100 -0.757 0.000 1.248 873 Y CB 0.640 38.841 38.460 -0.431 0.000 1.116 873 Y HN 0.813 nan 8.280 nan 0.000 0.470 874 N N 8.498 126.492 118.700 -1.176 0.000 2.400 874 N HA 0.100 4.841 4.740 0.001 0.000 0.278 874 N C -1.709 173.123 175.510 -1.131 0.000 1.247 874 N CA -1.083 51.456 53.050 -0.851 0.000 0.970 874 N CB 0.881 39.225 38.487 -0.238 0.000 1.312 874 N HN 0.396 nan 8.380 nan 0.000 0.488 875 P HA -0.138 nan 4.420 nan 0.000 0.221 875 P C 0.652 177.580 177.300 -0.620 0.000 1.150 875 P CA 1.047 63.385 63.100 -1.270 0.000 0.800 875 P CB 0.350 31.382 31.700 -1.114 0.000 0.787 876 E N -0.010 119.932 120.200 -0.430 0.000 2.077 876 E HA -0.113 4.237 4.350 0.001 0.000 0.193 876 E C 1.124 177.656 176.600 -0.114 0.000 0.989 876 E CA 1.901 58.209 56.400 -0.153 0.000 0.800 876 E CB -0.184 29.514 29.700 -0.003 0.000 0.746 876 E HN 0.299 nan 8.360 nan 0.000 0.452 877 T N -1.116 113.356 114.554 -0.137 0.000 3.214 877 T HA 0.054 4.404 4.350 0.001 0.000 0.264 877 T C -0.152 174.523 174.700 -0.041 0.000 1.012 877 T CA -0.414 61.652 62.100 -0.058 0.000 0.901 877 T CB 0.012 68.868 68.868 -0.020 0.000 1.070 877 T HN 0.160 nan 8.240 nan 0.000 0.561 878 Q N 0.827 120.580 119.800 -0.078 0.000 2.348 878 Q HA -0.231 4.110 4.340 0.001 0.000 0.370 878 Q C -0.533 175.562 176.000 0.158 0.000 1.260 878 Q CA 0.920 56.779 55.803 0.092 0.000 1.207 878 Q CB -1.544 27.307 28.738 0.189 0.000 1.397 878 Q HN 0.706 nan 8.270 nan 0.000 0.315 879 E N 0.057 120.298 120.200 0.069 0.000 2.392 879 E HA 0.564 4.914 4.350 0.001 0.000 0.269 879 E C -0.890 175.793 176.600 0.139 0.000 0.924 879 E CA -0.390 56.071 56.400 0.102 0.000 0.784 879 E CB 2.146 31.883 29.700 0.062 0.000 1.292 879 E HN 0.371 nan 8.360 nan 0.000 0.447 880 S N 0.144 115.943 115.700 0.164 0.000 2.776 880 S HA 0.928 5.398 4.470 0.001 0.000 0.306 880 S C -1.082 173.664 174.600 0.245 0.000 1.114 880 S CA 0.107 58.445 58.200 0.229 0.000 0.973 880 S CB 1.634 64.927 63.200 0.155 0.000 1.250 880 S HN 0.604 nan 8.310 nan 0.000 0.549 881 A N 0.592 123.543 122.820 0.219 0.000 2.610 881 A HA 0.792 5.113 4.320 0.001 0.000 0.291 881 A C -3.141 174.443 177.584 0.000 0.000 1.086 881 A CA -1.352 50.712 52.037 0.044 0.000 0.677 881 A CB 0.147 19.096 19.000 -0.086 0.000 1.278 881 A HN 0.651 nan 8.150 nan 0.000 0.414 882 P HA 0.215 nan 4.420 nan 0.000 0.270 882 P C -0.180 177.115 177.300 -0.007 0.000 1.223 882 P CA -0.138 62.962 63.100 -0.001 0.000 0.785 882 P CB 0.524 32.227 31.700 0.005 0.000 0.923 883 D N 0.404 120.822 120.400 0.030 0.000 2.123 883 D HA -0.201 4.439 4.640 0.001 0.000 0.196 883 D C 1.651 178.031 176.300 0.133 0.000 0.992 883 D CA 1.183 55.240 54.000 0.094 0.000 0.833 883 D CB -0.450 40.429 40.800 0.132 0.000 0.954 883 D HN 0.523 nan 8.370 nan 0.000 0.455 884 Q N 0.925 120.771 119.800 0.077 0.000 2.096 884 Q HA -0.244 4.097 4.340 0.001 0.000 0.208 884 Q C 1.904 177.911 176.000 0.013 0.000 0.993 884 Q CA 1.451 57.278 55.803 0.041 0.000 0.862 884 Q CB -0.094 28.656 28.738 0.021 0.000 0.915 884 Q HN 0.367 nan 8.270 nan 0.000 0.416 885 E N -0.430 119.763 120.200 -0.012 0.000 2.110 885 E HA -0.133 4.218 4.350 0.001 0.000 0.193 885 E C 1.771 178.336 176.600 -0.059 0.000 0.988 885 E CA 1.677 58.049 56.400 -0.047 0.000 0.804 885 E CB 0.246 29.898 29.700 -0.081 0.000 0.745 885 E HN 0.437 nan 8.360 nan 0.000 0.458 886 V N -2.856 117.030 119.914 -0.046 0.000 3.380 886 V HA 0.345 4.465 4.120 0.001 0.000 0.307 886 V C -0.237 175.997 176.094 0.235 0.000 1.434 886 V CA -0.553 61.744 62.300 -0.005 0.000 1.075 886 V CB -0.061 31.593 31.823 -0.282 0.000 0.954 886 V HN 0.147 nan 8.190 nan 0.000 0.444 887 F N 0.289 120.226 119.950 -0.021 0.000 2.688 887 F HA 0.570 5.097 4.527 0.001 0.000 0.332 887 F C -1.333 174.427 175.800 -0.067 0.000 1.131 887 F CA -0.756 57.222 58.000 -0.037 0.000 1.113 887 F CB 1.049 40.021 39.000 -0.046 0.000 1.359 887 F HN -0.024 nan 8.300 nan 0.000 0.551 888 K N 6.397 126.344 120.400 -0.755 0.000 2.502 888 K HA 0.280 4.600 4.320 0.001 0.000 0.254 888 K C -0.975 175.037 176.600 -0.979 0.000 0.947 888 K CA -0.887 54.916 56.287 -0.807 0.000 0.834 888 K CB 1.461 33.746 32.500 -0.357 0.000 1.112 888 K HN 0.722 nan 8.250 nan 0.000 0.427 889 K N 6.305 126.033 120.400 -1.121 0.000 2.412 889 K HA 0.050 4.370 4.320 0.001 0.000 0.284 889 K C -0.457 175.966 176.600 -0.295 0.000 1.046 889 K CA -0.130 55.795 56.287 -0.604 0.000 0.999 889 K CB 0.178 32.468 32.500 -0.349 0.000 0.941 889 K HN 0.531 nan 8.250 nan 0.000 0.474 890 L N 3.840 124.931 121.223 -0.220 0.000 2.473 890 L HA 0.067 4.408 4.340 0.001 0.000 0.268 890 L C 0.873 177.697 176.870 -0.077 0.000 1.215 890 L CA 0.234 54.988 54.840 -0.143 0.000 0.823 890 L CB -0.045 41.933 42.059 -0.136 0.000 1.099 890 L HN 0.870 nan 8.230 nan 0.000 0.483 891 E N 0.000 120.165 120.200 -0.059 0.000 2.725 891 E HA 0.000 4.350 4.350 0.001 0.000 0.291 891 E CA 0.000 56.384 56.400 -0.027 0.000 0.976 891 E CB 0.000 29.691 29.700 -0.015 0.000 0.812 891 E HN 0.000 nan 8.360 nan 0.000 0.440