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 1xfd_1_A DATA FIRST_RESID 127 DATA SEQUENCE QKKKVTVEDL FSEDFKIHDP EAKWISDTEF IYREQKGTVR LWNVETNTST DATA SEQUENCE VLIEGKKIES LRAIRYEISP DREYALFSYN VEPIYQHSYT GYYVLSKIPH DATA SEQUENCE GDPQSLDPPE VSNAKLQYAG WGPKGQQLIF IFENNIYYCA HVGKQAIRVV DATA SEQUENCE STGKEGVIYN GLSDWLYEEE ILKTHIAHWW SPDGTRLAYA AINDSRVPIM DATA SEQUENCE ELPTYTGSIY PTVKPYHYPK AGSENPSISL HVIGLNGPTH DLEMMPPDDP DATA SEQUENCE RMREYYITMV KWATSTKVAV TWLNRAQNVS ILTLcDATTG VcTKKHEDES DATA SEQUENCE EAWLHRQNEE PVFSKDGRKF FFIRAIPQGG RGKFYHITVS SSQPNSSNDN DATA SEQUENCE IQSITSGDWD VTKILAYDEK GNKIYFLSTE DLPRRRQLYS ANTVGNFNRQ DATA SEQUENCE CLSCDLVENc TYFSASFSHS MDFFLLKcEG PGVPMVTVHN TTDKKKMFDL DATA SEQUENCE ETNEHVKKAI NDRQMPKVEY RDIEIDDYNL PMQILKPATF TDTTHYPLLL DATA SEQUENCE VVDGTPGSQS VAEKFEVSWE TVMVSSHGAV VVKCDGRGSG FQGTKLLHEV DATA SEQUENCE RRRLGLLEEK DQMEAVRTML KEQYIDRTRV AVFGKDYGGY LSTYILPAKG DATA SEQUENCE ENQGQTFTcG SALSPITDFK LYASAFSERY LGLHGLDNRA YEMTKVAHRV DATA SEQUENCE SALEEQQFLI IHPTADEKIH FQHTAELITQ LIRGKANYSL QIYPDESHYF DATA SEQUENCE TSSSLKQHLY RSIINFFVEc FRI 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 127 Q HA 0.000 nan 4.340 nan 0.000 0.214 127 Q C 0.000 176.010 176.000 0.016 0.000 1.003 127 Q CA 0.000 55.811 55.803 0.014 0.000 1.022 127 Q CB 0.000 28.746 28.738 0.013 0.000 1.108 128 K N 1.240 121.652 120.400 0.020 0.000 2.527 128 K HA 0.581 4.978 4.320 0.128 0.000 0.260 128 K C -1.201 175.417 176.600 0.030 0.000 0.937 128 K CA -1.079 55.222 56.287 0.024 0.000 0.826 128 K CB 2.538 35.054 32.500 0.025 0.000 1.359 128 K HN -0.043 nan 8.250 nan 0.000 0.434 129 K N 2.108 122.529 120.400 0.035 0.000 2.461 129 K HA -0.193 4.204 4.320 0.128 0.000 0.252 129 K C -1.082 175.542 176.600 0.040 0.000 1.035 129 K CA 1.254 57.566 56.287 0.042 0.000 1.122 129 K CB 0.200 32.739 32.500 0.064 0.000 0.739 129 K HN 0.588 nan 8.250 nan 0.000 0.452 130 K N 2.831 123.243 120.400 0.020 0.000 2.098 130 K HA 0.283 4.680 4.320 0.128 0.000 0.258 130 K C -0.700 175.900 176.600 0.001 0.000 0.973 130 K CA -1.092 55.197 56.287 0.004 0.000 0.898 130 K CB 1.405 33.887 32.500 -0.031 0.000 1.057 130 K HN 0.322 nan 8.250 nan 0.000 0.447 131 V N 2.028 121.937 119.914 -0.008 0.000 2.485 131 V HA 0.017 4.214 4.120 0.128 0.000 0.287 131 V C 0.612 176.662 176.094 -0.073 0.000 1.022 131 V CA 0.108 62.380 62.300 -0.047 0.000 1.067 131 V CB 0.644 32.434 31.823 -0.055 0.000 0.967 131 V HN 0.758 nan 8.190 nan 0.000 0.479 132 T N 3.213 117.711 114.554 -0.094 0.000 2.949 132 T HA 0.422 4.849 4.350 0.128 0.000 0.287 132 T C 1.061 175.734 174.700 -0.045 0.000 1.034 132 T CA -0.442 61.634 62.100 -0.040 0.000 1.018 132 T CB 1.857 70.721 68.868 -0.007 0.000 1.135 132 T HN 0.247 nan 8.240 nan 0.000 0.532 133 V N 2.294 122.247 119.914 0.064 0.000 2.332 133 V HA -0.099 4.098 4.120 0.128 0.000 0.248 133 V C 2.459 178.662 176.094 0.183 0.000 1.055 133 V CA 1.995 64.389 62.300 0.158 0.000 1.038 133 V CB -0.836 31.152 31.823 0.274 0.000 0.651 133 V HN 0.786 nan 8.190 nan 0.000 0.450 134 E N 0.354 120.634 120.200 0.134 0.000 2.085 134 E HA -0.212 4.215 4.350 0.128 0.000 0.194 134 E C 1.972 178.592 176.600 0.035 0.000 0.994 134 E CA 1.545 58.029 56.400 0.140 0.000 0.801 134 E CB -0.524 29.229 29.700 0.089 0.000 0.743 134 E HN 0.588 nan 8.360 nan 0.000 0.453 135 D N 0.197 120.506 120.400 -0.152 0.000 2.116 135 D HA -0.166 4.550 4.640 0.128 0.000 0.193 135 D C 2.089 177.984 176.300 -0.675 0.000 0.998 135 D CA 0.837 54.515 54.000 -0.536 0.000 0.836 135 D CB -0.336 39.959 40.800 -0.841 0.000 0.951 135 D HN 0.170 nan 8.370 nan 0.000 0.449 136 L N -0.396 120.520 121.223 -0.511 0.000 2.021 136 L HA -0.211 4.206 4.340 0.128 0.000 0.215 136 L C 1.697 178.254 176.870 -0.521 0.000 1.074 136 L CA 1.203 55.708 54.840 -0.560 0.000 0.760 136 L CB -0.490 41.175 42.059 -0.657 0.000 0.889 136 L HN 0.007 nan 8.230 nan 0.000 0.433 137 F N -0.583 119.372 119.950 0.009 0.000 2.660 137 F HA 0.153 4.757 4.527 0.128 0.000 0.297 137 F C 1.106 176.957 175.800 0.085 0.000 1.132 137 F CA -0.357 57.679 58.000 0.061 0.000 1.372 137 F CB -0.390 38.641 39.000 0.051 0.000 1.003 137 F HN -0.155 nan 8.300 nan 0.000 0.524 138 S N 0.313 116.122 115.700 0.183 0.000 2.565 138 S HA 0.043 4.590 4.470 0.128 0.000 0.274 138 S C 1.313 176.081 174.600 0.280 0.000 1.309 138 S CA -0.480 57.867 58.200 0.245 0.000 1.043 138 S CB 1.329 64.722 63.200 0.323 0.000 0.939 138 S HN 0.260 nan 8.310 nan 0.000 0.504 139 E N 1.480 121.822 120.200 0.237 0.000 2.472 139 E HA -0.119 4.308 4.350 0.128 0.000 0.200 139 E C 0.582 177.315 176.600 0.221 0.000 1.046 139 E CA 1.095 57.624 56.400 0.215 0.000 0.871 139 E CB -0.067 29.738 29.700 0.176 0.000 0.806 139 E HN 0.525 nan 8.360 nan 0.000 0.533 140 D N -0.833 119.729 120.400 0.271 0.000 2.120 140 D HA -0.086 4.631 4.640 0.128 0.000 0.202 140 D C 0.838 177.202 176.300 0.107 0.000 0.972 140 D CA 0.827 54.947 54.000 0.200 0.000 0.837 140 D CB -0.245 40.681 40.800 0.211 0.000 0.989 140 D HN 0.274 nan 8.370 nan 0.000 0.469 141 F N 0.985 120.985 119.950 0.083 0.000 2.811 141 F HA 0.138 4.742 4.527 0.128 0.000 0.301 141 F C 1.101 176.950 175.800 0.081 0.000 1.151 141 F CA -0.118 57.930 58.000 0.079 0.000 1.412 141 F CB -0.339 38.700 39.000 0.064 0.000 1.113 141 F HN -0.304 nan 8.300 nan 0.000 0.579 142 K N 2.288 122.828 120.400 0.234 0.000 2.349 142 K HA 0.137 4.534 4.320 0.128 0.000 0.289 142 K C -0.032 176.640 176.600 0.121 0.000 1.064 142 K CA -0.305 56.109 56.287 0.211 0.000 0.947 142 K CB 0.313 32.974 32.500 0.268 0.000 1.007 142 K HN -0.069 nan 8.250 nan 0.000 0.478 143 I N 4.469 125.136 120.570 0.161 0.000 2.638 143 I HA 0.051 4.298 4.170 0.128 0.000 0.286 143 I C 0.393 176.669 176.117 0.265 0.000 1.088 143 I CA -0.027 61.335 61.300 0.103 0.000 1.397 143 I CB 0.621 38.705 38.000 0.141 0.000 1.414 143 I HN 0.651 nan 8.210 nan 0.000 0.566 144 H N 3.140 122.230 119.070 0.033 0.000 2.638 144 H HA 0.199 4.833 4.556 0.129 0.000 0.317 144 H C -0.749 174.609 175.328 0.050 0.000 1.006 144 H CA -0.774 55.297 56.048 0.038 0.000 1.222 144 H CB 1.714 31.482 29.762 0.011 0.000 1.419 144 H HN 0.424 nan 8.280 nan 0.000 0.489 145 D N 4.877 125.384 120.400 0.179 0.000 2.347 145 D HA 0.100 4.817 4.640 0.128 0.000 0.235 145 D C -1.686 174.687 176.300 0.122 0.000 1.149 145 D CA -2.421 51.654 54.000 0.125 0.000 0.850 145 D CB 1.713 42.582 40.800 0.115 0.000 1.061 145 D HN 0.306 nan 8.370 nan 0.000 0.487 146 P HA -0.068 nan 4.420 nan 0.000 0.225 146 P C -0.506 176.870 177.300 0.126 0.000 1.148 146 P CA 0.426 63.609 63.100 0.140 0.000 0.779 146 P CB 0.042 31.812 31.700 0.116 0.000 0.780 147 E N -1.891 118.358 120.200 0.082 0.000 2.228 147 E HA -0.211 4.216 4.350 0.128 0.000 0.213 147 E C -0.064 176.567 176.600 0.053 0.000 1.282 147 E CA -0.063 56.380 56.400 0.073 0.000 0.707 147 E CB -1.904 27.855 29.700 0.098 0.000 1.150 147 E HN 0.347 nan 8.360 nan 0.000 0.362 148 A N 1.911 124.707 122.820 -0.040 0.000 2.477 148 A HA 0.324 4.721 4.320 0.128 0.000 0.246 148 A C 0.370 177.872 177.584 -0.136 0.000 1.078 148 A CA 0.391 52.338 52.037 -0.151 0.000 0.770 148 A CB 0.628 19.291 19.000 -0.563 0.000 1.011 148 A HN 0.274 nan 8.150 nan 0.000 0.494 149 K N 2.946 123.315 120.400 -0.050 0.000 2.565 149 K HA 0.312 4.709 4.320 0.128 0.000 0.249 149 K C -1.589 175.059 176.600 0.080 0.000 0.958 149 K CA -0.543 55.763 56.287 0.031 0.000 0.806 149 K CB 0.910 33.480 32.500 0.118 0.000 1.194 149 K HN 0.735 nan 8.250 nan 0.000 0.434 150 W N 4.754 126.171 121.300 0.195 0.000 2.193 150 W HA 0.153 4.890 4.660 0.128 0.000 0.338 150 W C 1.020 177.515 176.519 -0.041 0.000 1.310 150 W CA -0.244 57.177 57.345 0.126 0.000 1.243 150 W CB 0.355 29.863 29.460 0.080 0.000 1.165 150 W HN 0.543 nan 8.180 nan 0.000 0.566 151 I N 1.196 121.847 120.570 0.134 0.000 4.312 151 I HA 0.036 4.283 4.170 0.128 0.000 0.324 151 I C 0.894 176.917 176.117 -0.157 0.000 1.298 151 I CA 0.290 61.597 61.300 0.012 0.000 1.231 151 I CB 0.061 38.114 38.000 0.088 0.000 1.152 151 I HN 0.414 nan 8.210 nan 0.000 0.421 152 S N -0.229 115.382 115.700 -0.148 0.000 2.973 152 S HA 0.260 4.807 4.470 0.128 0.000 0.317 152 S C -0.547 174.065 174.600 0.021 0.000 1.196 152 S CA -0.351 57.826 58.200 -0.038 0.000 0.894 152 S CB 1.104 64.372 63.200 0.113 0.000 1.292 152 S HN 0.109 nan 8.310 nan 0.000 0.614 153 D N 0.163 120.641 120.400 0.130 0.000 2.340 153 D HA 0.156 4.873 4.640 0.128 0.000 0.217 153 D C 1.216 177.625 176.300 0.181 0.000 1.081 153 D CA 0.713 54.760 54.000 0.079 0.000 0.842 153 D CB -0.128 40.709 40.800 0.062 0.000 0.934 153 D HN 0.674 nan 8.370 nan 0.000 0.511 154 T N -3.261 111.486 114.554 0.322 0.000 3.041 154 T HA 0.141 4.568 4.350 0.128 0.000 0.276 154 T C 0.228 175.214 174.700 0.476 0.000 0.948 154 T CA -0.400 61.974 62.100 0.456 0.000 0.885 154 T CB 0.298 69.337 68.868 0.284 0.000 1.175 154 T HN 0.315 nan 8.240 nan 0.000 0.529 155 E N 0.885 121.406 120.200 0.535 0.000 2.375 155 E HA 0.553 4.980 4.350 0.128 0.000 0.280 155 E C -1.559 175.247 176.600 0.343 0.000 0.972 155 E CA -1.252 55.351 56.400 0.339 0.000 0.782 155 E CB 1.388 31.151 29.700 0.104 0.000 1.229 155 E HN 0.251 nan 8.360 nan 0.000 0.439 156 F N 0.207 120.151 119.950 -0.010 0.000 2.579 156 F HA 0.532 5.135 4.527 0.128 0.000 0.324 156 F C 0.830 176.624 175.800 -0.010 0.000 1.058 156 F CA -1.439 56.416 58.000 -0.243 0.000 0.944 156 F CB 0.455 38.886 39.000 -0.949 0.000 1.245 156 F HN 0.382 nan 8.300 nan 0.000 0.477 157 I N 1.496 122.247 120.570 0.302 0.000 2.248 157 I HA -0.259 3.988 4.170 0.128 0.000 0.248 157 I C 1.018 177.398 176.117 0.438 0.000 1.107 157 I CA 1.851 63.325 61.300 0.290 0.000 1.373 157 I CB -1.008 37.140 38.000 0.247 0.000 1.055 157 I HN 0.875 nan 8.210 nan 0.000 0.418 158 Y N 1.872 122.461 120.300 0.482 0.000 3.305 158 Y HA -0.267 4.360 4.550 0.129 0.000 0.209 158 Y C 0.781 176.844 175.900 0.272 0.000 1.354 158 Y CA -0.062 58.310 58.100 0.454 0.000 1.392 158 Y CB -2.088 36.632 38.460 0.433 0.000 1.446 158 Y HN 0.281 nan 8.280 nan 0.000 0.553 159 R N 2.483 123.215 120.500 0.386 0.000 2.638 159 R HA 0.062 4.479 4.340 0.128 0.000 0.268 159 R C 0.407 176.836 176.300 0.215 0.000 1.006 159 R CA 0.764 57.042 56.100 0.296 0.000 1.088 159 R CB 0.241 30.703 30.300 0.270 0.000 0.950 159 R HN 0.539 nan 8.270 nan 0.000 0.419 160 E N 2.052 122.344 120.200 0.154 0.000 1.845 160 E HA -0.326 4.101 4.350 0.128 0.000 0.361 160 E C 0.518 177.161 176.600 0.071 0.000 0.643 160 E CA 1.205 57.642 56.400 0.062 0.000 1.340 160 E CB 0.194 29.962 29.700 0.113 0.000 0.460 160 E HN 0.672 nan 8.360 nan 0.000 0.402 161 Q N 3.009 122.811 119.800 0.003 0.000 2.354 161 Q HA 0.053 4.469 4.340 0.128 0.000 0.203 161 Q C 0.249 176.307 176.000 0.097 0.000 0.933 161 Q CA 0.648 56.526 55.803 0.124 0.000 0.901 161 Q CB 0.456 29.262 28.738 0.114 0.000 1.007 161 Q HN 0.431 nan 8.270 nan 0.000 0.495 162 K N -1.003 119.408 120.400 0.018 0.000 2.299 162 K HA 0.104 4.501 4.320 0.128 0.000 0.148 162 K C -0.471 176.106 176.600 -0.037 0.000 1.759 162 K CA 0.021 56.286 56.287 -0.035 0.000 0.545 162 K CB -0.044 32.462 32.500 0.009 0.000 1.715 162 K HN 0.371 nan 8.250 nan 0.000 0.364 163 G N 0.073 108.847 108.800 -0.043 0.000 1.672 163 G HA2 -0.211 3.826 3.960 0.128 0.000 0.110 163 G HA3 -0.211 3.826 3.960 0.128 0.000 0.110 163 G C -0.133 174.719 174.900 -0.081 0.000 1.946 163 G CA -0.124 44.942 45.100 -0.056 0.000 1.302 163 G HN 0.294 nan 8.290 nan 0.000 0.416 164 T N 1.080 115.576 114.554 -0.097 0.000 2.932 164 T HA 0.434 4.861 4.350 0.128 0.000 0.312 164 T C 0.145 174.747 174.700 -0.165 0.000 1.071 164 T CA 0.535 62.556 62.100 -0.132 0.000 1.128 164 T CB 0.745 69.536 68.868 -0.128 0.000 0.984 164 T HN 0.990 nan 8.240 nan 0.000 0.549 165 V N 7.323 127.132 119.914 -0.175 0.000 2.370 165 V HA 0.501 4.698 4.120 0.128 0.000 0.283 165 V C 0.706 176.701 176.094 -0.164 0.000 1.023 165 V CA -0.842 61.363 62.300 -0.158 0.000 0.857 165 V CB 1.232 32.950 31.823 -0.177 0.000 0.985 165 V HN 0.845 nan 8.190 nan 0.000 0.443 166 R N 3.160 123.507 120.500 -0.257 0.000 2.722 166 R HA 0.710 5.127 4.340 0.128 0.000 0.210 166 R C -0.932 175.384 176.300 0.026 0.000 1.453 166 R CA -0.845 55.139 56.100 -0.194 0.000 0.964 166 R CB 0.367 30.383 30.300 -0.473 0.000 2.311 166 R HN 0.470 nan 8.270 nan 0.000 0.517 167 L N 0.180 121.483 121.223 0.132 0.000 2.868 167 L HA 0.257 4.674 4.340 0.128 0.000 0.235 167 L C -2.017 174.875 176.870 0.036 0.000 0.993 167 L CA -0.149 54.754 54.840 0.106 0.000 1.070 167 L CB 0.433 42.508 42.059 0.027 0.000 1.371 167 L HN 0.457 nan 8.230 nan 0.000 0.554 168 W N 3.536 124.696 121.300 -0.233 0.000 2.170 168 W HA 0.410 5.146 4.660 0.127 0.000 0.336 168 W C 0.909 177.115 176.519 -0.521 0.000 1.283 168 W CA 0.536 57.580 57.345 -0.501 0.000 1.224 168 W CB 0.749 29.579 29.460 -1.051 0.000 1.132 168 W HN 0.581 nan 8.180 nan 0.000 0.571 169 N N 3.044 121.606 118.700 -0.230 0.000 2.804 169 N HA 0.059 4.876 4.740 0.128 0.000 0.251 169 N C 0.521 176.020 175.510 -0.019 0.000 1.250 169 N CA -0.104 52.878 53.050 -0.114 0.000 0.820 169 N CB 0.976 39.368 38.487 -0.158 0.000 1.156 169 N HN 0.289 nan 8.380 nan 0.000 0.512 170 V N 2.184 122.188 119.914 0.150 0.000 2.363 170 V HA -0.280 3.917 4.120 0.128 0.000 0.254 170 V C 2.123 178.151 176.094 -0.110 0.000 1.074 170 V CA 1.837 64.191 62.300 0.090 0.000 1.069 170 V CB -0.180 31.538 31.823 -0.174 0.000 0.659 170 V HN 0.627 nan 8.190 nan 0.000 0.455 171 E N -0.077 120.079 120.200 -0.073 0.000 2.110 171 E HA -0.123 4.304 4.350 0.128 0.000 0.193 171 E C 0.697 177.278 176.600 -0.031 0.000 0.988 171 E CA 1.634 58.032 56.400 -0.003 0.000 0.804 171 E CB -0.073 29.695 29.700 0.112 0.000 0.745 171 E HN 0.642 nan 8.360 nan 0.000 0.458 172 T N 1.849 116.353 114.554 -0.083 0.000 3.428 172 T HA 0.128 4.555 4.350 0.128 0.000 0.301 172 T C -0.698 173.845 174.700 -0.262 0.000 1.323 172 T CA -0.756 61.266 62.100 -0.130 0.000 1.647 172 T CB 0.112 68.922 68.868 -0.095 0.000 0.871 172 T HN -0.029 nan 8.240 nan 0.000 0.627 173 N N 2.092 120.569 118.700 -0.372 0.000 3.027 173 N HA -0.117 4.700 4.740 0.128 0.000 0.306 173 N C -0.291 174.780 175.510 -0.731 0.000 1.127 173 N CA 0.879 53.450 53.050 -0.798 0.000 0.848 173 N CB -0.446 37.676 38.487 -0.608 0.000 0.982 173 N HN 0.483 nan 8.380 nan 0.000 0.620 174 T N -0.510 113.603 114.554 -0.735 0.000 3.317 174 T HA 0.172 4.599 4.350 0.128 0.000 0.361 174 T C 0.067 174.451 174.700 -0.527 0.000 1.499 174 T CA -0.813 60.987 62.100 -0.500 0.000 1.529 174 T CB 0.020 68.714 68.868 -0.290 0.000 0.997 174 T HN 0.343 nan 8.240 nan 0.000 0.624 175 S N 1.578 116.871 115.700 -0.679 0.000 3.072 175 S HA 0.272 4.819 4.470 0.128 0.000 0.306 175 S C 0.846 175.345 174.600 -0.169 0.000 1.207 175 S CA -0.651 57.294 58.200 -0.424 0.000 1.008 175 S CB -0.318 62.634 63.200 -0.413 0.000 1.390 175 S HN 0.431 nan 8.310 nan 0.000 0.523 176 T N 2.190 116.664 114.554 -0.133 0.000 2.652 176 T HA 0.268 4.695 4.350 0.128 0.000 0.345 176 T C 0.251 174.912 174.700 -0.064 0.000 1.051 176 T CA -0.404 61.642 62.100 -0.090 0.000 1.021 176 T CB 0.281 69.105 68.868 -0.073 0.000 1.141 176 T HN 0.490 nan 8.240 nan 0.000 0.518 177 V N 1.548 121.428 119.914 -0.058 0.000 2.444 177 V HA 0.254 4.451 4.120 0.128 0.000 0.294 177 V C 0.029 176.100 176.094 -0.038 0.000 1.022 177 V CA -0.476 61.785 62.300 -0.063 0.000 0.850 177 V CB 1.473 33.254 31.823 -0.070 0.000 0.992 177 V HN 0.584 nan 8.190 nan 0.000 0.426 178 L N 5.213 126.414 121.223 -0.037 0.000 2.269 178 L HA 0.413 4.830 4.340 0.128 0.000 0.200 178 L C 0.330 177.201 176.870 0.002 0.000 1.069 178 L CA 1.406 56.242 54.840 -0.008 0.000 0.804 178 L CB 0.149 42.214 42.059 0.010 0.000 0.987 178 L HN 0.393 nan 8.230 nan 0.000 0.468 179 I N -1.022 119.525 120.570 -0.037 0.000 2.894 179 I HA 0.341 4.588 4.170 0.128 0.000 0.302 179 I C -0.331 175.724 176.117 -0.102 0.000 1.188 179 I CA -0.712 60.566 61.300 -0.036 0.000 1.014 179 I CB 2.018 39.994 38.000 -0.040 0.000 1.242 179 I HN 0.217 nan 8.210 nan 0.000 0.430 180 E N 1.575 121.705 120.200 -0.116 0.000 2.449 180 E HA 0.559 4.986 4.350 0.128 0.000 0.254 180 E C 0.471 176.983 176.600 -0.146 0.000 0.907 180 E CA -1.025 55.291 56.400 -0.139 0.000 0.840 180 E CB 0.789 30.394 29.700 -0.158 0.000 1.459 180 E HN 0.616 nan 8.360 nan 0.000 0.407 181 G N 0.609 109.331 108.800 -0.130 0.000 3.327 181 G HA2 -0.137 3.900 3.960 0.128 0.000 0.218 181 G HA3 -0.137 3.900 3.960 0.128 0.000 0.218 181 G C 0.601 175.417 174.900 -0.140 0.000 1.261 181 G CA 0.550 45.577 45.100 -0.122 0.000 1.438 181 G HN 0.379 nan 8.290 nan 0.000 0.530 182 K N -1.038 119.258 120.400 -0.172 0.000 2.358 182 K HA 0.328 4.725 4.320 0.128 0.000 0.197 182 K C 1.639 178.069 176.600 -0.284 0.000 1.025 182 K CA 0.168 56.340 56.287 -0.192 0.000 1.104 182 K CB 0.418 32.819 32.500 -0.165 0.000 0.855 182 K HN 0.151 nan 8.250 nan 0.000 0.531 183 K N 0.843 121.067 120.400 -0.293 0.000 2.116 183 K HA 0.181 4.578 4.320 0.128 0.000 0.203 183 K C 1.644 178.099 176.600 -0.242 0.000 1.052 183 K CA 1.108 57.172 56.287 -0.370 0.000 0.952 183 K CB -0.150 32.196 32.500 -0.256 0.000 0.729 183 K HN 0.096 nan 8.250 nan 0.000 0.446 184 I N 1.600 122.072 120.570 -0.164 0.000 2.264 184 I HA -0.322 3.924 4.170 0.128 0.000 0.248 184 I C 2.599 178.633 176.117 -0.138 0.000 1.111 184 I CA 1.351 62.582 61.300 -0.115 0.000 1.382 184 I CB -0.412 37.535 38.000 -0.087 0.000 1.060 184 I HN 0.334 nan 8.210 nan 0.000 0.418 185 E N 1.404 121.503 120.200 -0.169 0.000 2.021 185 E HA -0.229 4.198 4.350 0.128 0.000 0.200 185 E C 1.148 177.616 176.600 -0.220 0.000 1.015 185 E CA 1.588 57.884 56.400 -0.174 0.000 0.824 185 E CB -0.106 29.486 29.700 -0.180 0.000 0.762 185 E HN 0.289 nan 8.360 nan 0.000 0.454 186 S N 1.788 117.308 115.700 -0.300 0.000 3.911 186 S HA 0.036 4.583 4.470 0.128 0.000 0.188 186 S C -0.004 174.391 174.600 -0.341 0.000 1.147 186 S CA -0.074 57.894 58.200 -0.387 0.000 0.961 186 S CB -0.585 62.331 63.200 -0.473 0.000 1.582 186 S HN 0.418 nan 8.310 nan 0.000 0.458 187 L N 2.231 123.293 121.223 -0.268 0.000 4.146 187 L HA -0.245 4.172 4.340 0.128 0.000 0.476 187 L C 0.842 177.688 176.870 -0.040 0.000 1.127 187 L CA 0.840 55.600 54.840 -0.134 0.000 0.669 187 L CB -1.596 40.397 42.059 -0.111 0.000 1.517 187 L HN 0.798 nan 8.230 nan 0.000 0.782 188 R N 0.464 120.927 120.500 -0.062 0.000 2.965 188 R HA -0.197 4.220 4.340 0.128 0.000 0.245 188 R C 0.599 176.925 176.300 0.044 0.000 0.861 188 R CA 0.619 56.709 56.100 -0.016 0.000 0.614 188 R CB -0.967 29.341 30.300 0.013 0.000 1.229 188 R HN 0.965 nan 8.270 nan 0.000 0.503 189 A N 3.373 126.206 122.820 0.022 0.000 2.566 189 A HA 0.043 4.440 4.320 0.128 0.000 0.245 189 A C 1.290 178.980 177.584 0.177 0.000 1.056 189 A CA 0.112 52.233 52.037 0.141 0.000 0.757 189 A CB 0.142 19.230 19.000 0.147 0.000 0.979 189 A HN 0.564 nan 8.150 nan 0.000 0.508 190 I N 1.498 122.175 120.570 0.178 0.000 2.353 190 I HA -0.023 4.224 4.170 0.128 0.000 0.248 190 I C 1.579 177.825 176.117 0.216 0.000 1.119 190 I CA 1.447 62.849 61.300 0.170 0.000 1.417 190 I CB -0.322 37.761 38.000 0.138 0.000 1.078 190 I HN 0.770 nan 8.210 nan 0.000 0.421 191 R N 0.223 120.865 120.500 0.237 0.000 2.854 191 R HA 0.477 4.894 4.340 0.128 0.000 0.271 191 R C -1.769 174.752 176.300 0.369 0.000 0.994 191 R CA -0.604 55.639 56.100 0.239 0.000 0.945 191 R CB 2.037 32.447 30.300 0.184 0.000 1.194 191 R HN 0.072 nan 8.270 nan 0.000 0.476 192 Y N -1.077 119.356 120.300 0.222 0.000 2.592 192 Y HA 0.535 5.161 4.550 0.126 0.000 0.334 192 Y C -1.932 174.033 175.900 0.108 0.000 1.136 192 Y CA -0.974 57.242 58.100 0.193 0.000 1.042 192 Y CB 1.714 40.397 38.460 0.371 0.000 1.325 192 Y HN 0.718 nan 8.280 nan 0.000 0.457 193 E N 3.350 123.636 120.200 0.144 0.000 2.307 193 E HA 0.446 4.873 4.350 0.128 0.000 0.280 193 E C -1.669 175.174 176.600 0.404 0.000 0.900 193 E CA -0.954 55.551 56.400 0.175 0.000 0.790 193 E CB 1.580 31.381 29.700 0.168 0.000 1.261 193 E HN 0.708 nan 8.360 nan 0.000 0.405 194 I N 1.884 122.623 120.570 0.281 0.000 2.634 194 I HA 0.190 4.436 4.170 0.128 0.000 0.284 194 I C 0.879 176.835 176.117 -0.269 0.000 1.124 194 I CA -0.379 60.977 61.300 0.094 0.000 1.417 194 I CB 0.579 38.629 38.000 0.085 0.000 1.396 194 I HN 0.379 nan 8.210 nan 0.000 0.571 195 S N 6.000 121.198 115.700 -0.838 0.000 2.608 195 S HA 0.379 4.926 4.470 0.128 0.000 0.261 195 S C -1.401 172.819 174.600 -0.633 0.000 1.314 195 S CA -0.686 56.557 58.200 -1.594 0.000 0.992 195 S CB 0.336 62.331 63.200 -2.009 0.000 0.935 195 S HN 0.690 nan 8.310 nan 0.000 0.564 196 P HA -0.105 nan 4.420 nan 0.000 0.216 196 P C 0.713 177.918 177.300 -0.159 0.000 1.153 196 P CA 1.486 64.461 63.100 -0.208 0.000 0.844 196 P CB -0.412 31.201 31.700 -0.145 0.000 0.787 197 D N -0.220 120.068 120.400 -0.187 0.000 2.371 197 D HA -0.115 4.602 4.640 0.128 0.000 0.234 197 D C 0.486 176.725 176.300 -0.102 0.000 1.049 197 D CA -0.074 53.863 54.000 -0.105 0.000 0.907 197 D CB -1.039 39.718 40.800 -0.073 0.000 0.891 197 D HN 0.041 nan 8.370 nan 0.000 0.531 198 R N -0.668 119.743 120.500 -0.147 0.000 3.610 198 R HA -0.216 4.201 4.340 0.128 0.000 0.274 198 R C 0.363 176.606 176.300 -0.096 0.000 1.123 198 R CA 1.230 57.263 56.100 -0.112 0.000 0.747 198 R CB -2.072 28.194 30.300 -0.057 0.000 1.149 198 R HN 0.420 nan 8.270 nan 0.000 0.471 199 E N -1.429 118.713 120.200 -0.096 0.000 2.526 199 E HA 0.122 4.549 4.350 0.128 0.000 0.208 199 E C -0.437 176.054 176.600 -0.181 0.000 0.997 199 E CA 0.313 56.660 56.400 -0.087 0.000 0.961 199 E CB 0.498 30.200 29.700 0.004 0.000 1.030 199 E HN 0.240 nan 8.360 nan 0.000 0.483 200 Y N -0.473 119.727 120.300 -0.167 0.000 2.655 200 Y HA 0.586 5.213 4.550 0.128 0.000 0.336 200 Y C -0.788 175.101 175.900 -0.018 0.000 1.154 200 Y CA -1.114 56.959 58.100 -0.046 0.000 1.055 200 Y CB 1.908 40.400 38.460 0.053 0.000 1.295 200 Y HN -0.171 nan 8.280 nan 0.000 0.465 201 A N 1.467 124.462 122.820 0.291 0.000 2.449 201 A HA 0.734 5.131 4.320 0.128 0.000 0.302 201 A C -2.137 175.447 177.584 0.000 0.000 1.048 201 A CA -0.663 51.413 52.037 0.065 0.000 0.708 201 A CB 1.390 20.182 19.000 -0.346 0.000 1.274 201 A HN 0.716 nan 8.150 nan 0.000 0.410 202 L N 2.097 123.339 121.223 0.032 0.000 2.272 202 L HA 0.661 5.078 4.340 0.128 0.000 0.289 202 L C -1.636 175.130 176.870 -0.175 0.000 1.032 202 L CA -0.430 54.350 54.840 -0.101 0.000 0.810 202 L CB 0.760 42.649 42.059 -0.284 0.000 1.205 202 L HN 0.697 nan 8.230 nan 0.000 0.422 203 F N 1.863 121.965 119.950 0.254 0.000 2.520 203 F HA 0.467 5.068 4.527 0.124 0.000 0.322 203 F C 0.277 176.142 175.800 0.108 0.000 1.103 203 F CA -0.690 57.440 58.000 0.217 0.000 0.926 203 F CB 2.277 41.379 39.000 0.169 0.000 1.154 203 F HN 0.339 nan 8.300 nan 0.000 0.453 204 S N 2.774 118.595 115.700 0.201 0.000 2.500 204 S HA 0.853 5.400 4.470 0.128 0.000 0.301 204 S C -1.394 173.256 174.600 0.085 0.000 1.092 204 S CA -0.566 57.490 58.200 -0.240 0.000 1.030 204 S CB 1.519 64.362 63.200 -0.595 0.000 1.031 204 S HN 0.612 nan 8.310 nan 0.000 0.483 205 Y N 0.105 120.332 120.300 -0.121 0.000 2.615 205 Y HA 0.682 5.314 4.550 0.137 0.000 0.341 205 Y C 0.118 176.038 175.900 0.034 0.000 1.089 205 Y CA -1.357 56.736 58.100 -0.011 0.000 1.049 205 Y CB 0.347 38.811 38.460 0.007 0.000 1.296 205 Y HN 0.699 nan 8.280 nan 0.000 0.470 206 N N 0.098 118.870 118.700 0.119 0.000 2.727 206 N HA -0.152 4.664 4.740 0.128 0.000 0.249 206 N C -1.242 174.232 175.510 -0.061 0.000 1.048 206 N CA 0.765 53.848 53.050 0.054 0.000 0.714 206 N CB -0.836 37.726 38.487 0.124 0.000 0.959 206 N HN 0.598 nan 8.380 nan 0.000 0.544 207 V N 0.720 120.608 119.914 -0.043 0.000 2.572 207 V HA 0.149 4.346 4.120 0.128 0.000 0.291 207 V C 0.817 176.896 176.094 -0.024 0.000 1.039 207 V CA 0.052 62.319 62.300 -0.054 0.000 1.055 207 V CB 1.445 33.273 31.823 0.009 0.000 0.969 207 V HN 0.255 nan 8.190 nan 0.000 0.482 208 E N 6.053 126.227 120.200 -0.043 0.000 2.171 208 E HA 0.514 4.941 4.350 0.128 0.000 0.271 208 E C -2.698 173.888 176.600 -0.023 0.000 0.916 208 E CA -2.058 54.322 56.400 -0.032 0.000 0.774 208 E CB 1.923 31.591 29.700 -0.054 0.000 1.128 208 E HN 0.439 nan 8.360 nan 0.000 0.403 209 P HA 0.234 nan 4.420 nan 0.000 0.279 209 P C -0.179 177.091 177.300 -0.049 0.000 1.239 209 P CA 0.008 63.097 63.100 -0.018 0.000 0.789 209 P CB 1.034 32.730 31.700 -0.007 0.000 0.933 210 I N 0.850 121.369 120.570 -0.086 0.000 4.728 210 I HA 0.057 4.304 4.170 0.128 0.000 0.233 210 I C 0.789 176.791 176.117 -0.192 0.000 1.004 210 I CA 0.298 61.451 61.300 -0.245 0.000 1.677 210 I CB -0.188 37.589 38.000 -0.372 0.000 1.509 210 I HN 0.258 nan 8.210 nan 0.000 0.463 211 Y N 0.405 120.739 120.300 0.058 0.000 3.214 211 Y HA 0.179 4.809 4.550 0.134 0.000 0.404 211 Y C 2.096 177.963 175.900 -0.056 0.000 1.177 211 Y CA -0.368 57.778 58.100 0.077 0.000 1.288 211 Y CB -1.037 37.434 38.460 0.017 0.000 1.262 211 Y HN 0.052 nan 8.280 nan 0.000 0.883 212 Q N -0.718 119.103 119.800 0.035 0.000 1.917 212 Q HA -0.151 4.266 4.340 0.128 0.000 0.205 212 Q C -0.205 175.596 176.000 -0.331 0.000 0.988 212 Q CA 1.526 57.119 55.803 -0.349 0.000 0.851 212 Q CB -0.117 28.501 28.738 -0.200 0.000 0.916 212 Q HN 0.396 nan 8.270 nan 0.000 0.424 213 H N -0.792 118.178 119.070 -0.168 0.000 2.547 213 H HA 0.370 5.001 4.556 0.127 0.000 0.342 213 H C -1.446 173.752 175.328 -0.217 0.000 1.048 213 H CA -0.202 55.751 56.048 -0.158 0.000 1.204 213 H CB 1.881 31.594 29.762 -0.082 0.000 1.493 213 H HN 0.107 nan 8.280 nan 0.000 0.511 214 S N 5.199 120.854 115.700 -0.074 0.000 2.488 214 S HA 0.131 4.678 4.470 0.128 0.000 0.151 214 S C -1.089 173.427 174.600 -0.140 0.000 1.401 214 S CA -0.718 57.409 58.200 -0.122 0.000 1.221 214 S CB -0.812 62.458 63.200 0.117 0.000 1.407 214 S HN 0.453 nan 8.310 nan 0.000 0.406 215 Y N 1.868 122.316 120.300 0.246 0.000 2.691 215 Y HA 0.367 4.991 4.550 0.125 0.000 0.359 215 Y C 0.997 177.029 175.900 0.220 0.000 1.292 215 Y CA -0.315 57.922 58.100 0.229 0.000 1.822 215 Y CB -0.774 37.856 38.460 0.283 0.000 1.481 215 Y HN 0.352 nan 8.280 nan 0.000 0.461 216 T N 2.048 116.722 114.554 0.199 0.000 3.133 216 T HA 0.686 5.113 4.350 0.128 0.000 0.368 216 T C 0.152 174.841 174.700 -0.017 0.000 1.190 216 T CA 0.065 62.245 62.100 0.133 0.000 1.282 216 T CB -0.359 68.539 68.868 0.050 0.000 1.042 216 T HN 0.901 nan 8.240 nan 0.000 0.536 217 G N 2.409 111.155 108.800 -0.090 0.000 3.137 217 G HA2 0.555 4.592 3.960 0.128 0.000 0.196 217 G HA3 0.555 4.592 3.960 0.128 0.000 0.196 217 G C -1.755 172.827 174.900 -0.529 0.000 1.135 217 G CA -0.634 44.245 45.100 -0.368 0.000 0.803 217 G HN 0.443 nan 8.290 nan 0.000 0.619 218 Y N -0.136 119.790 120.300 -0.622 0.000 2.323 218 Y HA 0.609 5.199 4.550 0.067 0.000 0.331 218 Y C -0.783 174.765 175.900 -0.587 0.000 1.092 218 Y CA -0.229 57.492 58.100 -0.631 0.000 1.150 218 Y CB 1.433 39.232 38.460 -1.100 0.000 1.200 218 Y HN 0.292 nan 8.280 nan 0.000 0.472 219 Y N 1.654 121.970 120.300 0.027 0.000 2.352 219 Y HA 0.618 5.238 4.550 0.118 0.000 0.339 219 Y C -0.471 175.500 175.900 0.119 0.000 0.992 219 Y CA -0.860 57.274 58.100 0.057 0.000 1.100 219 Y CB 1.530 39.923 38.460 -0.112 0.000 1.192 219 Y HN 0.248 nan 8.280 nan 0.000 0.458 220 V N 5.160 125.273 119.914 0.331 0.000 2.735 220 V HA 0.476 4.673 4.120 0.128 0.000 0.310 220 V C -0.533 175.730 176.094 0.282 0.000 1.061 220 V CA -1.024 61.440 62.300 0.274 0.000 0.913 220 V CB 2.282 34.264 31.823 0.264 0.000 1.005 220 V HN 0.597 nan 8.190 nan 0.000 0.428 221 L N 2.594 123.950 121.223 0.221 0.000 2.330 221 L HA 0.838 5.255 4.340 0.128 0.000 0.271 221 L C -0.064 177.008 176.870 0.336 0.000 1.013 221 L CA -0.163 54.833 54.840 0.260 0.000 0.816 221 L CB 2.066 44.233 42.059 0.180 0.000 1.287 221 L HN 0.727 nan 8.230 nan 0.000 0.435 222 S N 0.881 116.828 115.700 0.411 0.000 2.565 222 S HA 0.433 4.980 4.470 0.128 0.000 0.269 222 S C -1.290 173.383 174.600 0.121 0.000 1.153 222 S CA -0.862 57.521 58.200 0.305 0.000 0.835 222 S CB 1.727 65.154 63.200 0.378 0.000 1.122 222 S HN 0.485 nan 8.310 nan 0.000 0.462 223 K N 2.146 122.454 120.400 -0.153 0.000 2.185 223 K HA 0.308 4.705 4.320 0.128 0.000 0.271 223 K C 0.984 177.453 176.600 -0.220 0.000 1.013 223 K CA -0.495 55.488 56.287 -0.507 0.000 0.943 223 K CB 0.645 32.853 32.500 -0.487 0.000 0.998 223 K HN 0.506 nan 8.250 nan 0.000 0.468 224 I N 4.624 125.049 120.570 -0.241 0.000 2.113 224 I HA -0.275 3.972 4.170 0.128 0.000 0.242 224 I C -1.109 174.999 176.117 -0.015 0.000 1.057 224 I CA 1.721 62.968 61.300 -0.090 0.000 1.314 224 I CB -0.823 37.119 38.000 -0.096 0.000 1.022 224 I HN 0.693 nan 8.210 nan 0.000 0.408 225 P HA -0.081 nan 4.420 nan 0.000 0.208 225 P C -0.555 176.914 177.300 0.282 0.000 1.200 225 P CA 1.879 65.020 63.100 0.068 0.000 0.924 225 P CB 0.048 31.651 31.700 -0.161 0.000 0.774 226 H N -5.187 113.857 119.070 -0.042 0.000 2.904 226 H HA 0.483 5.115 4.556 0.127 0.000 0.290 226 H C -0.099 175.211 175.328 -0.031 0.000 1.437 226 H CA -0.657 55.374 56.048 -0.028 0.000 1.147 226 H CB -0.005 29.735 29.762 -0.038 0.000 1.824 226 H HN 0.494 nan 8.280 nan 0.000 0.505 227 G N 0.407 109.266 108.800 0.099 0.000 2.722 227 G HA2 0.069 4.106 3.960 0.128 0.000 0.686 227 G HA3 0.069 4.106 3.960 0.128 0.000 0.686 227 G C -0.937 173.970 174.900 0.011 0.000 1.282 227 G CA 0.378 45.493 45.100 0.025 0.000 0.817 227 G HN 1.147 nan 8.290 nan 0.000 0.605 228 D N -0.296 120.109 120.400 0.009 0.000 3.357 228 D HA -0.104 4.613 4.640 0.128 0.000 0.238 228 D C -1.020 175.310 176.300 0.050 0.000 1.126 228 D CA 1.447 55.458 54.000 0.018 0.000 0.984 228 D CB -0.076 40.731 40.800 0.012 0.000 0.925 228 D HN 0.616 nan 8.370 nan 0.000 0.414 229 P HA 0.350 nan 4.420 nan 0.000 0.276 229 P C -0.639 176.702 177.300 0.068 0.000 1.252 229 P CA -0.332 62.814 63.100 0.077 0.000 0.802 229 P CB 1.126 32.839 31.700 0.021 0.000 1.035 230 Q N 0.149 120.007 119.800 0.096 0.000 2.284 230 Q HA 0.352 4.769 4.340 0.128 0.000 0.269 230 Q C -1.229 174.809 176.000 0.064 0.000 1.026 230 Q CA -0.377 55.465 55.803 0.066 0.000 0.831 230 Q CB 1.591 30.372 28.738 0.071 0.000 1.322 230 Q HN 0.301 nan 8.270 nan 0.000 0.419 231 S N 2.796 118.516 115.700 0.033 0.000 2.533 231 S HA 0.272 4.819 4.470 0.128 0.000 0.282 231 S C -0.524 174.054 174.600 -0.036 0.000 1.304 231 S CA -0.317 57.899 58.200 0.025 0.000 1.063 231 S CB 0.103 63.302 63.200 -0.002 0.000 0.881 231 S HN 0.561 nan 8.310 nan 0.000 0.493 232 L N 5.269 126.454 121.223 -0.064 0.000 2.315 232 L HA 0.468 4.884 4.340 0.128 0.000 0.278 232 L C -1.160 175.459 176.870 -0.418 0.000 1.088 232 L CA -0.053 54.652 54.840 -0.226 0.000 0.899 232 L CB -0.265 41.657 42.059 -0.228 0.000 1.277 232 L HN 0.473 nan 8.230 nan 0.000 0.431 233 D N 5.739 125.898 120.400 -0.402 0.000 2.340 233 D HA 0.573 5.290 4.640 0.128 0.000 0.240 233 D C -2.416 173.560 176.300 -0.541 0.000 1.001 233 D CA -1.167 52.536 54.000 -0.494 0.000 0.888 233 D CB 1.054 41.676 40.800 -0.296 0.000 1.310 233 D HN 0.323 nan 8.370 nan 0.000 0.474 234 P HA 0.151 nan 4.420 nan 0.000 0.274 234 P C -2.556 174.633 177.300 -0.184 0.000 1.264 234 P CA -0.990 61.849 63.100 -0.435 0.000 0.795 234 P CB -0.575 30.630 31.700 -0.825 0.000 1.064 235 P HA 0.058 nan 4.420 nan 0.000 0.276 235 P C 0.119 177.427 177.300 0.014 0.000 1.243 235 P CA 0.439 63.564 63.100 0.041 0.000 0.768 235 P CB 0.424 32.201 31.700 0.128 0.000 0.856 236 E N -0.866 119.330 120.200 -0.007 0.000 4.071 236 E HA -0.117 4.310 4.350 0.128 0.000 0.355 236 E C -0.046 176.539 176.600 -0.026 0.000 0.653 236 E CA 0.756 57.155 56.400 -0.003 0.000 1.298 236 E CB -1.965 27.752 29.700 0.028 0.000 1.712 236 E HN 0.338 nan 8.360 nan 0.000 0.416 237 V N 1.267 121.132 119.914 -0.082 0.000 2.532 237 V HA 0.426 4.623 4.120 0.128 0.000 0.295 237 V C 1.023 177.041 176.094 -0.126 0.000 1.041 237 V CA 0.237 62.471 62.300 -0.110 0.000 0.926 237 V CB 1.821 33.505 31.823 -0.231 0.000 0.992 237 V HN 0.219 nan 8.190 nan 0.000 0.457 238 S N 2.711 118.368 115.700 -0.072 0.000 2.549 238 S HA 0.085 4.632 4.470 0.128 0.000 0.260 238 S C 0.751 175.313 174.600 -0.063 0.000 1.217 238 S CA -0.449 57.716 58.200 -0.058 0.000 1.001 238 S CB 0.156 63.342 63.200 -0.023 0.000 1.059 238 S HN 0.894 nan 8.310 nan 0.000 0.537 239 N N 1.566 120.246 118.700 -0.032 0.000 2.360 239 N HA 0.074 4.891 4.740 0.128 0.000 0.292 239 N C -0.846 174.743 175.510 0.132 0.000 1.330 239 N CA 0.293 53.340 53.050 -0.004 0.000 1.009 239 N CB -0.677 37.766 38.487 -0.073 0.000 1.419 239 N HN 0.578 nan 8.380 nan 0.000 0.487 240 A N 3.741 126.632 122.820 0.119 0.000 2.386 240 A HA 0.400 4.797 4.320 0.128 0.000 0.311 240 A C -0.089 177.542 177.584 0.080 0.000 1.068 240 A CA -0.830 51.295 52.037 0.147 0.000 0.743 240 A CB 1.293 20.299 19.000 0.010 0.000 1.258 240 A HN 0.535 nan 8.150 nan 0.000 0.429 241 K N 0.860 121.208 120.400 -0.087 0.000 2.414 241 K HA 0.359 4.756 4.320 0.128 0.000 0.272 241 K C -0.834 175.784 176.600 0.030 0.000 0.993 241 K CA 0.389 56.492 56.287 -0.308 0.000 0.964 241 K CB 0.357 32.613 32.500 -0.407 0.000 0.925 241 K HN 0.562 nan 8.250 nan 0.000 0.487 242 L N 2.299 123.555 121.223 0.056 0.000 2.342 242 L HA 0.213 4.630 4.340 0.128 0.000 0.271 242 L C 1.141 178.126 176.870 0.191 0.000 1.008 242 L CA -0.601 54.341 54.840 0.170 0.000 0.818 242 L CB 1.792 43.897 42.059 0.078 0.000 1.296 242 L HN 0.633 nan 8.230 nan 0.000 0.427 243 Q N 1.077 120.989 119.800 0.188 0.000 2.331 243 Q HA 0.056 4.473 4.340 0.128 0.000 0.203 243 Q C -0.920 175.250 176.000 0.284 0.000 0.944 243 Q CA 0.899 56.803 55.803 0.169 0.000 0.892 243 Q CB 0.539 29.347 28.738 0.116 0.000 0.983 243 Q HN 0.506 nan 8.270 nan 0.000 0.482 244 Y N -2.314 118.028 120.300 0.070 0.000 2.661 244 Y HA 0.436 5.062 4.550 0.126 0.000 0.339 244 Y C -1.451 174.270 175.900 -0.299 0.000 1.186 244 Y CA -0.340 57.755 58.100 -0.008 0.000 1.137 244 Y CB 0.333 38.854 38.460 0.102 0.000 1.354 244 Y HN -0.192 nan 8.280 nan 0.000 0.469 245 A N 2.748 124.596 122.820 -1.619 0.000 1.936 245 A HA 0.798 5.195 4.320 0.128 0.000 0.197 245 A C 0.872 177.715 177.584 -1.234 0.000 2.189 245 A CA 0.058 51.303 52.037 -1.321 0.000 1.491 245 A CB -0.715 17.310 19.000 -1.625 0.000 1.021 245 A HN 2.274 nan 8.150 nan 0.000 0.537 246 G N -1.675 106.542 108.800 -0.972 0.000 2.915 246 G HA2 -0.149 3.888 3.960 0.128 0.000 0.686 246 G HA3 -0.149 3.888 3.960 0.128 0.000 0.686 246 G C -0.414 174.343 174.900 -0.238 0.000 1.414 246 G CA 0.031 44.855 45.100 -0.460 0.000 1.053 246 G HN 0.778 nan 8.290 nan 0.000 0.598 247 W N 1.094 122.381 121.300 -0.021 0.000 2.283 247 W HA 0.563 5.305 4.660 0.136 0.000 0.341 247 W C 1.200 177.535 176.519 -0.306 0.000 1.206 247 W CA 0.110 57.401 57.345 -0.090 0.000 1.294 247 W CB 1.055 30.454 29.460 -0.102 0.000 1.154 247 W HN 0.897 nan 8.180 nan 0.000 0.613 248 G N 1.169 109.807 108.800 -0.270 0.000 2.535 248 G HA2 0.270 4.307 3.960 0.128 0.000 0.282 248 G HA3 0.270 4.307 3.960 0.128 0.000 0.282 248 G C -2.115 172.338 174.900 -0.744 0.000 1.350 248 G CA -0.782 43.466 45.100 -1.420 0.000 1.039 248 G HN 0.255 nan 8.290 nan 0.000 0.509 249 P HA 0.118 nan 4.420 nan 0.000 0.215 249 P C 0.367 177.585 177.300 -0.138 0.000 1.160 249 P CA 0.992 63.935 63.100 -0.262 0.000 0.869 249 P CB 0.309 31.919 31.700 -0.150 0.000 0.782 250 K N -0.917 119.419 120.400 -0.107 0.000 2.221 250 K HA 0.497 4.894 4.320 0.128 0.000 0.243 250 K C 0.827 177.408 176.600 -0.031 0.000 0.968 250 K CA -0.256 56.005 56.287 -0.044 0.000 0.846 250 K CB 1.302 33.800 32.500 -0.002 0.000 1.141 250 K HN 0.067 nan 8.250 nan 0.000 0.434 251 G N 1.712 110.496 108.800 -0.027 0.000 2.574 251 G HA2 -0.388 3.649 3.960 0.128 0.000 0.301 251 G HA3 -0.388 3.649 3.960 0.128 0.000 0.301 251 G C 0.103 174.952 174.900 -0.085 0.000 1.166 251 G CA 0.854 45.943 45.100 -0.018 0.000 0.971 251 G HN 0.759 nan 8.290 nan 0.000 0.542 252 Q N 0.097 119.875 119.800 -0.035 0.000 1.986 252 Q HA 0.311 4.728 4.340 0.128 0.000 0.225 252 Q C 0.440 176.576 176.000 0.227 0.000 0.836 252 Q CA 0.505 56.252 55.803 -0.095 0.000 1.008 252 Q CB -0.157 28.484 28.738 -0.162 0.000 1.253 252 Q HN 0.979 nan 8.270 nan 0.000 0.415 253 Q N 1.354 121.266 119.800 0.187 0.000 2.421 253 Q HA 0.476 4.892 4.340 0.128 0.000 0.255 253 Q C -0.283 175.926 176.000 0.349 0.000 1.013 253 Q CA -0.417 55.530 55.803 0.241 0.000 0.895 253 Q CB 0.786 29.737 28.738 0.355 0.000 1.271 253 Q HN 0.363 nan 8.270 nan 0.000 0.460 254 L N -1.116 120.305 121.223 0.330 0.000 2.710 254 L HA 0.727 5.144 4.340 0.128 0.000 0.260 254 L C -1.253 175.830 176.870 0.355 0.000 0.993 254 L CA -1.158 53.862 54.840 0.300 0.000 0.877 254 L CB 1.166 43.129 42.059 -0.161 0.000 1.461 254 L HN 0.902 nan 8.230 nan 0.000 0.413 255 I N -0.992 119.776 120.570 0.329 0.000 3.042 255 I HA 0.986 5.233 4.170 0.128 0.000 0.310 255 I C -1.442 174.684 176.117 0.014 0.000 1.117 255 I CA -0.797 60.563 61.300 0.099 0.000 1.003 255 I CB 2.532 40.548 38.000 0.026 0.000 1.228 255 I HN 0.826 nan 8.210 nan 0.000 0.443 256 F N 1.744 121.686 119.950 -0.012 0.000 2.641 256 F HA 0.762 5.372 4.527 0.138 0.000 0.308 256 F C -1.831 174.002 175.800 0.056 0.000 1.105 256 F CA -1.346 56.595 58.000 -0.099 0.000 0.964 256 F CB 0.871 39.715 39.000 -0.260 0.000 1.294 256 F HN 0.316 nan 8.300 nan 0.000 0.442 257 I N 3.512 124.301 120.570 0.365 0.000 2.354 257 I HA 0.464 4.711 4.170 0.128 0.000 0.292 257 I C -1.438 174.920 176.117 0.401 0.000 0.989 257 I CA -0.669 60.829 61.300 0.331 0.000 1.188 257 I CB 1.716 39.837 38.000 0.201 0.000 1.342 257 I HN 0.633 nan 8.210 nan 0.000 0.457 258 F N 6.176 126.273 119.950 0.244 0.000 2.529 258 F HA 0.268 4.817 4.527 0.036 0.000 0.320 258 F C 0.420 176.311 175.800 0.152 0.000 1.118 258 F CA -1.015 57.065 58.000 0.133 0.000 0.915 258 F CB 1.130 40.130 39.000 -0.000 0.000 1.161 258 F HN 0.722 nan 8.300 nan 0.000 0.445 259 E N 3.722 123.608 120.200 -0.522 0.000 2.165 259 E HA -0.389 4.037 4.350 0.128 0.000 0.203 259 E C -0.341 176.164 176.600 -0.159 0.000 1.335 259 E CA 0.890 57.040 56.400 -0.417 0.000 0.708 259 E CB -1.968 27.384 29.700 -0.580 0.000 1.105 259 E HN 0.804 nan 8.360 nan 0.000 0.346 260 N N -0.235 118.413 118.700 -0.087 0.000 2.725 260 N HA -0.159 4.657 4.740 0.128 0.000 0.249 260 N C -1.247 174.255 175.510 -0.013 0.000 1.103 260 N CA 1.535 54.555 53.050 -0.050 0.000 0.707 260 N CB -1.037 37.358 38.487 -0.154 0.000 1.043 260 N HN 0.604 nan 8.380 nan 0.000 0.553 261 N N 0.164 118.901 118.700 0.062 0.000 2.240 261 N HA 0.496 5.313 4.740 0.128 0.000 0.302 261 N C -0.108 175.419 175.510 0.027 0.000 1.106 261 N CA -0.437 52.612 53.050 -0.001 0.000 0.778 261 N CB 1.451 39.944 38.487 0.010 0.000 1.431 261 N HN 0.057 nan 8.380 nan 0.000 0.479 262 I N 2.327 122.771 120.570 -0.210 0.000 2.315 262 I HA 0.270 4.516 4.170 0.128 0.000 0.291 262 I C -0.716 175.191 176.117 -0.351 0.000 1.006 262 I CA -0.525 60.633 61.300 -0.238 0.000 1.265 262 I CB 0.348 38.093 38.000 -0.426 0.000 1.387 262 I HN 0.272 nan 8.210 nan 0.000 0.475 263 Y N 5.747 125.779 120.300 -0.446 0.000 2.420 263 Y HA 0.459 5.094 4.550 0.142 0.000 0.334 263 Y C -0.464 175.121 175.900 -0.526 0.000 1.094 263 Y CA -0.689 57.062 58.100 -0.582 0.000 1.126 263 Y CB 1.398 39.215 38.460 -1.072 0.000 1.217 263 Y HN 0.380 nan 8.280 nan 0.000 0.462 264 Y N 1.469 121.589 120.300 -0.300 0.000 2.462 264 Y HA 0.675 5.301 4.550 0.127 0.000 0.346 264 Y C -1.343 174.515 175.900 -0.071 0.000 0.976 264 Y CA -1.802 56.191 58.100 -0.179 0.000 1.044 264 Y CB 1.487 39.870 38.460 -0.129 0.000 1.230 264 Y HN 0.697 nan 8.280 nan 0.000 0.455 265 C N 5.616 124.479 119.300 -0.728 0.000 2.442 265 C HA 0.663 5.200 4.460 0.128 0.000 0.335 265 C C 1.101 175.636 174.990 -0.759 0.000 1.134 265 C CA -0.072 58.603 59.018 -0.572 0.000 1.344 265 C CB 0.285 27.903 27.740 -0.204 0.000 1.956 265 C HN 1.072 nan 8.230 nan 0.000 0.438 266 A N 1.822 124.226 122.820 -0.695 0.000 1.843 266 A HA -0.007 4.390 4.320 0.128 0.000 0.213 266 A C 0.822 178.401 177.584 -0.010 0.000 1.202 266 A CA 1.379 53.252 52.037 -0.273 0.000 0.607 266 A CB -0.504 18.484 19.000 -0.020 0.000 0.847 266 A HN 0.904 nan 8.150 nan 0.000 0.445 267 H N -1.529 117.482 119.070 -0.099 0.000 2.481 267 H HA 0.463 5.097 4.556 0.129 0.000 0.339 267 H C 0.985 176.263 175.328 -0.083 0.000 1.131 267 H CA -0.072 55.942 56.048 -0.057 0.000 1.301 267 H CB 1.338 31.080 29.762 -0.033 0.000 1.476 267 H HN -0.107 nan 8.280 nan 0.000 0.529 268 V N 3.644 123.200 119.914 -0.597 0.000 2.392 268 V HA -0.188 4.009 4.120 0.128 0.000 0.249 268 V C 2.151 177.992 176.094 -0.422 0.000 1.059 268 V CA 2.552 64.529 62.300 -0.538 0.000 1.051 268 V CB -0.792 30.492 31.823 -0.897 0.000 0.658 268 V HN 1.016 nan 8.190 nan 0.000 0.455 269 G N -0.836 107.630 108.800 -0.557 0.000 2.464 269 G HA2 -0.149 3.887 3.960 0.128 0.000 0.217 269 G HA3 -0.149 3.887 3.960 0.128 0.000 0.217 269 G C 0.857 175.748 174.900 -0.014 0.000 1.138 269 G CA 0.079 45.080 45.100 -0.165 0.000 0.793 269 G HN 0.455 nan 8.290 nan 0.000 0.539 270 K N 1.229 121.654 120.400 0.041 0.000 2.559 270 K HA 0.044 4.441 4.320 0.128 0.000 0.279 270 K C 0.805 177.410 176.600 0.008 0.000 0.967 270 K CA 0.055 56.377 56.287 0.059 0.000 1.000 270 K CB 0.234 32.766 32.500 0.054 0.000 0.890 270 K HN 0.488 nan 8.250 nan 0.000 0.501 271 Q N 2.516 122.330 119.800 0.024 0.000 2.259 271 Q HA 0.507 4.924 4.340 0.128 0.000 0.246 271 Q C -0.573 175.449 176.000 0.036 0.000 0.920 271 Q CA -0.762 55.061 55.803 0.034 0.000 0.895 271 Q CB 1.421 30.184 28.738 0.042 0.000 1.220 271 Q HN 0.587 nan 8.270 nan 0.000 0.439 272 A N 3.486 126.356 122.820 0.084 0.000 2.466 272 A HA 0.372 4.769 4.320 0.128 0.000 0.238 272 A C -0.306 177.340 177.584 0.103 0.000 1.074 272 A CA -0.165 51.929 52.037 0.094 0.000 0.774 272 A CB 0.086 19.231 19.000 0.240 0.000 1.015 272 A HN 0.684 nan 8.150 nan 0.000 0.498 273 I N 1.207 121.807 120.570 0.050 0.000 2.498 273 I HA 0.333 4.580 4.170 0.128 0.000 0.290 273 I C 0.441 176.481 176.117 -0.128 0.000 1.032 273 I CA -0.424 60.882 61.300 0.010 0.000 1.073 273 I CB 1.662 39.676 38.000 0.024 0.000 1.251 273 I HN 0.796 nan 8.210 nan 0.000 0.426 274 R N 4.466 124.804 120.500 -0.270 0.000 2.441 274 R HA 0.265 4.682 4.340 0.128 0.000 0.300 274 R C 0.727 176.795 176.300 -0.387 0.000 1.284 274 R CA -0.123 55.594 56.100 -0.638 0.000 1.069 274 R CB 0.398 30.295 30.300 -0.672 0.000 1.087 274 R HN 0.557 nan 8.270 nan 0.000 0.519 275 V N 3.190 122.896 119.914 -0.346 0.000 2.407 275 V HA -0.116 4.081 4.120 0.128 0.000 0.248 275 V C 0.889 176.811 176.094 -0.287 0.000 1.055 275 V CA 1.316 63.457 62.300 -0.264 0.000 1.049 275 V CB -0.121 31.540 31.823 -0.271 0.000 0.662 275 V HN 0.424 nan 8.190 nan 0.000 0.455 276 V N -0.032 119.663 119.914 -0.365 0.000 2.638 276 V HA 0.604 4.801 4.120 0.128 0.000 0.306 276 V C 0.329 176.255 176.094 -0.281 0.000 1.052 276 V CA 0.412 62.521 62.300 -0.318 0.000 0.885 276 V CB 2.294 33.840 31.823 -0.462 0.000 0.999 276 V HN 0.402 nan 8.190 nan 0.000 0.424 277 S N 1.404 116.989 115.700 -0.192 0.000 2.937 277 S HA 0.025 4.572 4.470 0.128 0.000 0.252 277 S C 0.970 175.517 174.600 -0.089 0.000 1.022 277 S CA 0.369 58.479 58.200 -0.150 0.000 1.079 277 S CB 0.164 63.281 63.200 -0.138 0.000 1.035 277 S HN 1.077 nan 8.310 nan 0.000 0.594 278 T N -0.510 113.996 114.554 -0.079 0.000 3.252 278 T HA 0.312 4.739 4.350 0.128 0.000 0.250 278 T C 0.967 175.645 174.700 -0.036 0.000 1.123 278 T CA 0.209 62.282 62.100 -0.046 0.000 1.006 278 T CB -0.480 68.367 68.868 -0.034 0.000 0.992 278 T HN 0.447 nan 8.240 nan 0.000 0.547 279 G N 0.948 109.719 108.800 -0.049 0.000 2.442 279 G HA2 0.422 4.459 3.960 0.128 0.000 0.249 279 G HA3 0.422 4.459 3.960 0.128 0.000 0.249 279 G C -0.727 174.129 174.900 -0.073 0.000 1.263 279 G CA -0.769 44.296 45.100 -0.058 0.000 0.846 279 G HN 0.506 nan 8.290 nan 0.000 0.555 280 K N 2.098 122.435 120.400 -0.106 0.000 2.668 280 K HA 0.135 4.532 4.320 0.128 0.000 0.246 280 K C -0.301 176.199 176.600 -0.167 0.000 0.976 280 K CA -0.630 55.596 56.287 -0.101 0.000 0.902 280 K CB 0.937 33.403 32.500 -0.056 0.000 1.172 280 K HN 0.409 nan 8.250 nan 0.000 0.452 281 E N 1.934 122.034 120.200 -0.167 0.000 3.131 281 E HA -0.148 4.279 4.350 0.128 0.000 0.258 281 E C 0.978 177.492 176.600 -0.143 0.000 0.901 281 E CA 2.004 58.291 56.400 -0.187 0.000 0.964 281 E CB 0.263 29.888 29.700 -0.125 0.000 0.903 281 E HN 0.983 nan 8.360 nan 0.000 0.537 282 G N 2.041 110.693 108.800 -0.246 0.000 2.196 282 G HA2 -0.341 3.696 3.960 0.128 0.000 0.268 282 G HA3 -0.341 3.696 3.960 0.128 0.000 0.268 282 G C 0.845 175.877 174.900 0.219 0.000 0.975 282 G CA 0.543 45.677 45.100 0.057 0.000 0.648 282 G HN 0.427 nan 8.290 nan 0.000 0.538 283 V N -0.513 119.384 119.914 -0.028 0.000 3.159 283 V HA 0.415 4.612 4.120 0.128 0.000 0.234 283 V C 0.704 176.818 176.094 0.033 0.000 1.313 283 V CA 0.692 63.027 62.300 0.058 0.000 1.271 283 V CB 0.513 32.367 31.823 0.052 0.000 1.053 283 V HN 0.231 nan 8.190 nan 0.000 0.476 284 I N 1.518 122.038 120.570 -0.083 0.000 2.437 284 I HA 0.434 4.681 4.170 0.128 0.000 0.279 284 I C -1.284 174.803 176.117 -0.050 0.000 1.028 284 I CA -0.687 60.614 61.300 0.002 0.000 1.142 284 I CB 0.606 38.600 38.000 -0.010 0.000 1.266 284 I HN 0.180 nan 8.210 nan 0.000 0.461 285 Y N 5.078 125.405 120.300 0.045 0.000 2.342 285 Y HA 0.453 5.082 4.550 0.132 0.000 0.334 285 Y C 0.630 176.572 175.900 0.070 0.000 1.067 285 Y CA -0.879 57.259 58.100 0.063 0.000 1.128 285 Y CB 1.218 39.730 38.460 0.086 0.000 1.200 285 Y HN 0.509 nan 8.280 nan 0.000 0.464 286 N N 0.711 119.542 118.700 0.219 0.000 2.454 286 N HA 0.501 5.318 4.740 0.128 0.000 0.291 286 N C 0.247 175.849 175.510 0.154 0.000 1.079 286 N CA -0.481 52.715 53.050 0.243 0.000 0.893 286 N CB 2.321 40.982 38.487 0.290 0.000 1.512 286 N HN 0.809 nan 8.380 nan 0.000 0.497 287 G N 1.233 110.145 108.800 0.186 0.000 2.259 287 G HA2 -0.206 3.831 3.960 0.128 0.000 0.217 287 G HA3 -0.206 3.831 3.960 0.128 0.000 0.217 287 G C -0.386 174.565 174.900 0.084 0.000 1.001 287 G CA -0.131 45.017 45.100 0.081 0.000 0.627 287 G HN 0.477 nan 8.290 nan 0.000 0.501 288 L N 1.058 122.354 121.223 0.120 0.000 2.371 288 L HA 0.696 5.113 4.340 0.128 0.000 0.262 288 L C 0.372 177.357 176.870 0.192 0.000 1.006 288 L CA -1.037 53.884 54.840 0.136 0.000 0.818 288 L CB 2.207 44.340 42.059 0.123 0.000 1.354 288 L HN 0.125 nan 8.230 nan 0.000 0.415 289 S N 0.156 116.002 115.700 0.244 0.000 2.614 289 S HA 0.191 4.738 4.470 0.128 0.000 0.265 289 S C -0.583 173.980 174.600 -0.062 0.000 1.303 289 S CA -0.798 57.476 58.200 0.124 0.000 1.000 289 S CB 0.846 64.145 63.200 0.165 0.000 0.935 289 S HN 0.707 nan 8.310 nan 0.000 0.551 290 D N -0.631 119.583 120.400 -0.309 0.000 2.529 290 D HA 0.057 4.774 4.640 0.128 0.000 0.273 290 D C 0.949 177.157 176.300 -0.153 0.000 1.197 290 D CA -0.783 52.851 54.000 -0.610 0.000 1.070 290 D CB 0.269 40.720 40.800 -0.581 0.000 1.134 290 D HN 0.560 nan 8.370 nan 0.000 0.590 291 W N 0.245 121.412 121.300 -0.222 0.000 2.304 291 W HA -0.245 4.490 4.660 0.125 0.000 0.328 291 W C 2.254 178.614 176.519 -0.265 0.000 1.242 291 W CA 1.985 59.087 57.345 -0.405 0.000 1.243 291 W CB -0.809 28.437 29.460 -0.356 0.000 1.170 291 W HN 0.375 nan 8.180 nan 0.000 0.460 292 L N -0.091 121.069 121.223 -0.104 0.000 2.051 292 L HA -0.292 4.125 4.340 0.128 0.000 0.214 292 L C 2.318 178.944 176.870 -0.408 0.000 1.076 292 L CA 2.113 56.747 54.840 -0.345 0.000 0.758 292 L CB -1.468 40.580 42.059 -0.018 0.000 0.890 292 L HN 0.168 nan 8.230 nan 0.000 0.433 293 Y N -0.176 119.930 120.300 -0.323 0.000 2.293 293 Y HA -0.206 4.421 4.550 0.129 0.000 0.291 293 Y C 2.681 178.416 175.900 -0.274 0.000 1.137 293 Y CA 1.752 59.702 58.100 -0.251 0.000 1.202 293 Y CB -0.221 38.161 38.460 -0.129 0.000 0.990 293 Y HN 0.459 nan 8.280 nan 0.000 0.537 294 E N -0.203 119.857 120.200 -0.233 0.000 2.051 294 E HA -0.191 4.236 4.350 0.128 0.000 0.189 294 E C 1.881 178.254 176.600 -0.378 0.000 0.979 294 E CA 1.110 57.354 56.400 -0.261 0.000 0.803 294 E CB 0.063 29.573 29.700 -0.316 0.000 0.761 294 E HN 0.258 nan 8.360 nan 0.000 0.451 295 E N 0.016 119.797 120.200 -0.698 0.000 2.112 295 E HA -0.106 4.321 4.350 0.128 0.000 0.190 295 E C 1.499 177.794 176.600 -0.509 0.000 0.979 295 E CA 1.155 57.140 56.400 -0.691 0.000 0.814 295 E CB 0.262 29.160 29.700 -1.337 0.000 0.762 295 E HN 0.146 nan 8.360 nan 0.000 0.460 296 E N -1.259 118.588 120.200 -0.588 0.000 2.279 296 E HA 0.125 4.552 4.350 0.128 0.000 0.199 296 E C 1.717 178.068 176.600 -0.415 0.000 0.893 296 E CA 0.725 56.869 56.400 -0.426 0.000 0.978 296 E CB 0.001 29.430 29.700 -0.451 0.000 0.964 296 E HN 0.289 nan 8.360 nan 0.000 0.486 297 I N -1.234 118.996 120.570 -0.567 0.000 2.703 297 I HA 0.155 4.402 4.170 0.128 0.000 0.259 297 I C 1.527 177.390 176.117 -0.424 0.000 1.151 297 I CA 1.206 62.130 61.300 -0.626 0.000 1.470 297 I CB 0.007 37.361 38.000 -1.078 0.000 1.112 297 I HN 0.073 nan 8.210 nan 0.000 0.437 298 L N 0.018 121.047 121.223 -0.324 0.000 2.515 298 L HA 0.252 4.669 4.340 0.128 0.000 0.223 298 L C 0.577 177.416 176.870 -0.051 0.000 1.079 298 L CA 0.065 54.838 54.840 -0.110 0.000 0.857 298 L CB 0.024 42.119 42.059 0.060 0.000 1.050 298 L HN 0.156 nan 8.230 nan 0.000 0.476 299 K N 1.208 121.551 120.400 -0.095 0.000 3.160 299 K HA -0.137 4.259 4.320 0.128 0.000 0.280 299 K C -0.402 176.217 176.600 0.030 0.000 1.154 299 K CA 0.993 57.254 56.287 -0.043 0.000 0.822 299 K CB -2.393 30.095 32.500 -0.019 0.000 1.239 299 K HN 0.473 nan 8.250 nan 0.000 0.489 300 T N -3.395 111.186 114.554 0.046 0.000 2.840 300 T HA 0.287 4.714 4.350 0.128 0.000 0.317 300 T C 0.475 175.260 174.700 0.141 0.000 1.401 300 T CA -0.785 61.386 62.100 0.117 0.000 1.028 300 T CB 1.764 70.716 68.868 0.140 0.000 1.317 300 T HN 0.264 nan 8.240 nan 0.000 0.495 301 H N 0.081 119.197 119.070 0.077 0.000 2.520 301 H HA 0.337 4.971 4.556 0.129 0.000 0.279 301 H C 0.900 176.266 175.328 0.063 0.000 0.990 301 H CA -0.136 55.946 56.048 0.058 0.000 1.288 301 H CB 0.304 30.043 29.762 -0.038 0.000 1.446 301 H HN 0.412 nan 8.280 nan 0.000 0.538 302 I N 1.684 122.359 120.570 0.175 0.000 2.471 302 I HA 0.182 4.429 4.170 0.128 0.000 0.286 302 I C -0.330 175.632 176.117 -0.259 0.000 1.079 302 I CA 0.306 61.528 61.300 -0.131 0.000 1.398 302 I CB 0.619 38.450 38.000 -0.281 0.000 1.403 302 I HN 0.141 nan 8.210 nan 0.000 0.530 303 A N 8.204 130.796 122.820 -0.381 0.000 2.959 303 A HA 0.372 4.769 4.320 0.128 0.000 0.280 303 A C -0.335 176.603 177.584 -1.075 0.000 0.953 303 A CA -0.495 51.212 52.037 -0.549 0.000 1.047 303 A CB -0.329 18.625 19.000 -0.077 0.000 1.147 303 A HN 0.888 nan 8.150 nan 0.000 0.489 304 H N -2.646 115.549 119.070 -1.459 0.000 2.961 304 H HA 0.650 5.283 4.556 0.129 0.000 0.371 304 H C -1.919 172.735 175.328 -1.125 0.000 1.190 304 H CA -1.412 53.992 56.048 -1.074 0.000 1.138 304 H CB 1.152 30.644 29.762 -0.450 0.000 1.816 304 H HN 0.367 nan 8.280 nan 0.000 0.551 305 W N 1.503 122.963 121.300 0.267 0.000 3.132 305 W HA 0.142 4.882 4.660 0.133 0.000 0.337 305 W C -1.736 175.125 176.519 0.569 0.000 1.082 305 W CA -1.044 56.539 57.345 0.398 0.000 1.242 305 W CB 1.372 31.053 29.460 0.369 0.000 1.354 305 W HN 0.543 nan 8.180 nan 0.000 0.461 306 W N 2.127 123.704 121.300 0.463 0.000 2.251 306 W HA 0.341 5.076 4.660 0.126 0.000 0.329 306 W C 1.138 177.457 176.519 -0.332 0.000 1.234 306 W CA 0.024 57.460 57.345 0.151 0.000 1.228 306 W CB 0.578 30.096 29.460 0.096 0.000 1.135 306 W HN 0.170 nan 8.180 nan 0.000 0.576 307 S N 2.068 117.374 115.700 -0.657 0.000 2.584 307 S HA 0.156 4.703 4.470 0.128 0.000 0.270 307 S C -1.785 172.529 174.600 -0.477 0.000 1.346 307 S CA -0.875 56.447 58.200 -1.464 0.000 1.018 307 S CB 0.997 63.422 63.200 -1.292 0.000 0.899 307 S HN 0.287 nan 8.310 nan 0.000 0.542 308 P HA -0.113 nan 4.420 nan 0.000 0.216 308 P C 0.623 177.883 177.300 -0.068 0.000 1.150 308 P CA 1.466 64.508 63.100 -0.096 0.000 0.837 308 P CB -0.154 31.524 31.700 -0.036 0.000 0.786 309 D N -2.059 118.284 120.400 -0.094 0.000 2.328 309 D HA 0.116 4.833 4.640 0.128 0.000 0.221 309 D C 1.205 177.500 176.300 -0.009 0.000 1.072 309 D CA 0.198 54.174 54.000 -0.040 0.000 0.850 309 D CB -1.258 39.521 40.800 -0.035 0.000 0.922 309 D HN 0.129 nan 8.370 nan 0.000 0.516 310 G N -0.036 108.768 108.800 0.008 0.000 2.258 310 G HA2 -0.347 3.690 3.960 0.128 0.000 0.274 310 G HA3 -0.347 3.690 3.960 0.128 0.000 0.274 310 G C 0.848 175.829 174.900 0.134 0.000 1.021 310 G CA 1.066 46.254 45.100 0.146 0.000 0.798 310 G HN 0.420 nan 8.290 nan 0.000 0.507 311 T N -1.280 113.284 114.554 0.016 0.000 3.034 311 T HA 0.256 4.683 4.350 0.128 0.000 0.248 311 T C 1.224 175.901 174.700 -0.039 0.000 1.040 311 T CA 0.569 62.669 62.100 0.001 0.000 1.107 311 T CB 0.601 69.461 68.868 -0.013 0.000 0.932 311 T HN 0.463 nan 8.240 nan 0.000 0.474 312 R N 0.576 121.015 120.500 -0.101 0.000 2.740 312 R HA 0.675 5.092 4.340 0.128 0.000 0.282 312 R C -1.809 174.460 176.300 -0.052 0.000 0.969 312 R CA -0.864 55.200 56.100 -0.060 0.000 0.918 312 R CB 2.073 32.374 30.300 0.002 0.000 1.175 312 R HN 0.047 nan 8.270 nan 0.000 0.464 313 L N 1.779 123.027 121.223 0.041 0.000 2.349 313 L HA 0.607 5.024 4.340 0.128 0.000 0.278 313 L C -1.052 176.029 176.870 0.352 0.000 0.996 313 L CA -0.234 54.630 54.840 0.041 0.000 0.825 313 L CB 1.780 43.622 42.059 -0.363 0.000 1.243 313 L HN 0.792 nan 8.230 nan 0.000 0.412 314 A N 4.633 127.810 122.820 0.595 0.000 2.306 314 A HA 0.763 5.160 4.320 0.128 0.000 0.314 314 A C -1.546 176.387 177.584 0.582 0.000 1.164 314 A CA -0.269 52.105 52.037 0.561 0.000 0.822 314 A CB 0.568 19.857 19.000 0.482 0.000 1.130 314 A HN 0.879 nan 8.150 nan 0.000 0.496 315 Y N -0.895 119.593 120.300 0.312 0.000 2.519 315 Y HA 0.710 5.338 4.550 0.131 0.000 0.336 315 Y C -0.256 175.800 175.900 0.260 0.000 1.089 315 Y CA -1.049 57.166 58.100 0.191 0.000 1.025 315 Y CB 0.698 39.181 38.460 0.038 0.000 1.318 315 Y HN 0.907 nan 8.280 nan 0.000 0.452 316 A N 2.291 125.252 122.820 0.235 0.000 2.340 316 A HA 0.830 5.227 4.320 0.128 0.000 0.268 316 A C -0.314 177.364 177.584 0.157 0.000 1.100 316 A CA -0.193 51.934 52.037 0.149 0.000 0.803 316 A CB 0.038 19.161 19.000 0.205 0.000 1.043 316 A HN 1.627 nan 8.150 nan 0.000 0.488 317 A N 2.674 125.559 122.820 0.109 0.000 2.323 317 A HA 0.629 5.025 4.320 0.128 0.000 0.305 317 A C -0.510 177.114 177.584 0.067 0.000 1.275 317 A CA -0.315 51.833 52.037 0.184 0.000 0.804 317 A CB 0.123 19.301 19.000 0.297 0.000 1.152 317 A HN 0.700 nan 8.150 nan 0.000 0.487 318 I N 2.569 123.165 120.570 0.044 0.000 2.359 318 I HA 0.250 4.497 4.170 0.128 0.000 0.294 318 I C -0.125 176.028 176.117 0.061 0.000 0.987 318 I CA -0.622 60.645 61.300 -0.055 0.000 1.225 318 I CB 1.602 39.477 38.000 -0.209 0.000 1.366 318 I HN 0.610 nan 8.210 nan 0.000 0.466 319 N N 5.485 124.192 118.700 0.011 0.000 2.511 319 N HA 0.190 5.007 4.740 0.128 0.000 0.249 319 N C -0.309 175.189 175.510 -0.019 0.000 0.971 319 N CA -0.268 52.795 53.050 0.022 0.000 0.938 319 N CB 1.170 39.663 38.487 0.008 0.000 1.131 319 N HN 0.455 nan 8.380 nan 0.000 0.505 320 D N 1.149 121.524 120.400 -0.042 0.000 2.340 320 D HA -0.034 4.683 4.640 0.128 0.000 0.217 320 D C 1.494 177.557 176.300 -0.394 0.000 1.081 320 D CA 0.142 54.021 54.000 -0.202 0.000 0.842 320 D CB 0.354 41.019 40.800 -0.224 0.000 0.934 320 D HN 0.548 nan 8.370 nan 0.000 0.511 321 S N 1.091 116.670 115.700 -0.201 0.000 2.381 321 S HA -0.231 4.316 4.470 0.128 0.000 0.230 321 S C 1.597 176.160 174.600 -0.062 0.000 1.052 321 S CA 1.279 59.407 58.200 -0.120 0.000 1.068 321 S CB 0.063 63.239 63.200 -0.039 0.000 0.918 321 S HN 0.274 nan 8.310 nan 0.000 0.448 322 R N 0.170 120.644 120.500 -0.043 0.000 2.427 322 R HA 0.291 4.708 4.340 0.128 0.000 0.262 322 R C -0.476 175.842 176.300 0.030 0.000 0.943 322 R CA -0.194 55.909 56.100 0.005 0.000 1.081 322 R CB 0.537 30.837 30.300 0.001 0.000 1.166 322 R HN 0.238 nan 8.270 nan 0.000 0.534 323 V N 2.823 122.753 119.914 0.026 0.000 2.546 323 V HA 0.187 4.384 4.120 0.128 0.000 0.284 323 V C -2.002 174.235 176.094 0.239 0.000 1.050 323 V CA -2.121 60.243 62.300 0.107 0.000 0.981 323 V CB 1.386 33.266 31.823 0.095 0.000 0.990 323 V HN -0.018 nan 8.190 nan 0.000 0.474 324 P HA 0.166 nan 4.420 nan 0.000 0.268 324 P C -0.524 176.828 177.300 0.087 0.000 1.208 324 P CA 0.055 63.220 63.100 0.109 0.000 0.777 324 P CB 0.512 32.253 31.700 0.068 0.000 0.875 325 I N 2.358 122.907 120.570 -0.034 0.000 2.362 325 I HA 0.474 4.721 4.170 0.128 0.000 0.289 325 I C -0.598 175.398 176.117 -0.202 0.000 0.994 325 I CA -1.242 59.932 61.300 -0.210 0.000 1.158 325 I CB 1.031 38.841 38.000 -0.317 0.000 1.315 325 I HN 0.188 nan 8.210 nan 0.000 0.451 326 M N 7.398 126.811 119.600 -0.312 0.000 2.216 326 M HA 0.365 4.922 4.480 0.128 0.000 0.356 326 M C -0.827 175.348 176.300 -0.209 0.000 1.205 326 M CA 0.501 55.600 55.300 -0.336 0.000 1.122 326 M CB 0.783 33.031 32.600 -0.588 0.000 1.571 326 M HN 0.541 nan 8.290 nan 0.000 0.464 327 E N 3.873 123.975 120.200 -0.163 0.000 2.174 327 E HA 0.399 4.826 4.350 0.128 0.000 0.282 327 E C -1.465 175.084 176.600 -0.086 0.000 0.992 327 E CA -0.705 55.645 56.400 -0.083 0.000 0.803 327 E CB 1.224 30.873 29.700 -0.085 0.000 1.090 327 E HN 0.488 nan 8.360 nan 0.000 0.396 328 L N 5.790 127.000 121.223 -0.021 0.000 2.282 328 L HA 0.318 4.735 4.340 0.128 0.000 0.288 328 L C -2.168 174.659 176.870 -0.071 0.000 1.033 328 L CA -2.282 52.537 54.840 -0.035 0.000 0.807 328 L CB 0.920 42.981 42.059 0.002 0.000 1.209 328 L HN 0.369 nan 8.230 nan 0.000 0.423 329 P HA 0.137 nan 4.420 nan 0.000 0.271 329 P C -0.841 176.310 177.300 -0.249 0.000 1.216 329 P CA -0.197 62.781 63.100 -0.204 0.000 0.771 329 P CB 0.876 32.504 31.700 -0.119 0.000 0.864 330 T N 3.157 117.460 114.554 -0.418 0.000 2.876 330 T HA 0.426 4.853 4.350 0.128 0.000 0.289 330 T C -0.385 174.037 174.700 -0.463 0.000 1.014 330 T CA 0.070 62.004 62.100 -0.278 0.000 0.986 330 T CB 0.921 69.701 68.868 -0.147 0.000 1.021 330 T HN 0.285 nan 8.240 nan 0.000 0.458 331 Y N -0.043 120.213 120.300 -0.074 0.000 2.767 331 Y HA 0.279 4.906 4.550 0.129 0.000 0.254 331 Y C 1.757 177.613 175.900 -0.072 0.000 1.133 331 Y CA -0.547 57.507 58.100 -0.077 0.000 1.225 331 Y CB 0.826 39.228 38.460 -0.096 0.000 1.312 331 Y HN 0.606 nan 8.280 nan 0.000 0.560 332 T N -2.015 112.578 114.554 0.064 0.000 3.010 332 T HA 0.155 4.582 4.350 0.128 0.000 0.253 332 T C 1.948 176.650 174.700 0.002 0.000 0.939 332 T CA 0.526 62.640 62.100 0.023 0.000 0.910 332 T CB 0.042 68.916 68.868 0.010 0.000 1.226 332 T HN 0.381 nan 8.240 nan 0.000 0.508 333 G N 2.934 111.733 108.800 -0.003 0.000 2.768 333 G HA2 -0.104 3.933 3.960 0.128 0.000 0.181 333 G HA3 -0.104 3.933 3.960 0.128 0.000 0.181 333 G C 0.985 175.887 174.900 0.004 0.000 1.477 333 G CA 1.083 46.181 45.100 -0.004 0.000 0.826 333 G HN 0.618 nan 8.290 nan 0.000 0.600 334 S N -0.484 115.224 115.700 0.014 0.000 2.625 334 S HA 0.304 4.851 4.470 0.128 0.000 0.262 334 S C 1.444 176.060 174.600 0.028 0.000 1.223 334 S CA -0.299 57.921 58.200 0.034 0.000 0.993 334 S CB 0.727 63.963 63.200 0.060 0.000 1.051 334 S HN 0.112 nan 8.310 nan 0.000 0.562 335 I N -0.469 120.135 120.570 0.057 0.000 2.315 335 I HA 0.029 4.276 4.170 0.128 0.000 0.248 335 I C 0.146 176.181 176.117 -0.136 0.000 1.117 335 I CA 1.013 62.302 61.300 -0.018 0.000 1.404 335 I CB -0.622 37.407 38.000 0.049 0.000 1.071 335 I HN 0.525 nan 8.210 nan 0.000 0.419 336 Y N 2.429 122.717 120.300 -0.021 0.000 2.854 336 Y HA 0.350 4.977 4.550 0.127 0.000 0.330 336 Y C -1.909 173.965 175.900 -0.044 0.000 1.037 336 Y CA -3.323 54.759 58.100 -0.030 0.000 1.263 336 Y CB -0.386 38.057 38.460 -0.027 0.000 1.120 336 Y HN 0.042 nan 8.280 nan 0.000 0.532 337 P HA 0.059 nan 4.420 nan 0.000 0.269 337 P C -0.020 177.255 177.300 -0.042 0.000 1.215 337 P CA 0.075 63.157 63.100 -0.030 0.000 0.780 337 P CB 1.822 33.467 31.700 -0.093 0.000 0.898 338 T N -0.123 114.397 114.554 -0.057 0.000 2.901 338 T HA 0.455 4.882 4.350 0.128 0.000 0.293 338 T C -0.261 174.386 174.700 -0.089 0.000 1.084 338 T CA -0.759 61.305 62.100 -0.060 0.000 1.008 338 T CB 1.142 69.994 68.868 -0.027 0.000 1.170 338 T HN 0.334 nan 8.240 nan 0.000 0.509 339 V N 1.820 121.684 119.914 -0.085 0.000 3.003 339 V HA 0.680 4.877 4.120 0.128 0.000 0.305 339 V C -0.381 175.686 176.094 -0.044 0.000 1.078 339 V CA -0.566 61.684 62.300 -0.082 0.000 1.083 339 V CB 0.654 32.430 31.823 -0.078 0.000 1.039 339 V HN 0.678 nan 8.190 nan 0.000 0.481 340 K N 4.513 124.895 120.400 -0.028 0.000 2.316 340 K HA 0.542 4.939 4.320 0.128 0.000 0.267 340 K C -2.673 173.964 176.600 0.063 0.000 1.025 340 K CA -1.802 54.488 56.287 0.005 0.000 0.896 340 K CB 1.826 34.318 32.500 -0.014 0.000 1.124 340 K HN 0.662 nan 8.250 nan 0.000 0.451 341 P HA 0.391 nan 4.420 nan 0.000 0.287 341 P C -1.196 176.251 177.300 0.245 0.000 1.270 341 P CA -0.458 62.702 63.100 0.101 0.000 0.844 341 P CB 0.894 32.597 31.700 0.006 0.000 1.068 342 Y N -2.050 118.204 120.300 -0.076 0.000 2.661 342 Y HA 0.310 4.937 4.550 0.129 0.000 0.339 342 Y C -1.164 174.702 175.900 -0.057 0.000 1.186 342 Y CA -1.143 56.955 58.100 -0.003 0.000 1.137 342 Y CB 0.377 38.935 38.460 0.164 0.000 1.354 342 Y HN 0.304 nan 8.280 nan 0.000 0.469 343 H N 3.072 122.172 119.070 0.051 0.000 2.819 343 H HA 0.182 4.814 4.556 0.126 0.000 0.303 343 H C -1.609 173.625 175.328 -0.155 0.000 1.058 343 H CA 0.462 56.486 56.048 -0.040 0.000 1.471 343 H CB 0.938 30.768 29.762 0.114 0.000 1.480 343 H HN 0.720 nan 8.280 nan 0.000 0.517 344 Y N 5.730 125.856 120.300 -0.290 0.000 2.332 344 Y HA 0.244 4.870 4.550 0.127 0.000 0.325 344 Y C -2.749 173.102 175.900 -0.082 0.000 1.054 344 Y CA -2.633 55.290 58.100 -0.294 0.000 1.119 344 Y CB 2.008 40.082 38.460 -0.644 0.000 1.168 344 Y HN 0.390 nan 8.280 nan 0.000 0.439 345 P HA 0.263 nan 4.420 nan 0.000 0.291 345 P C -0.904 176.496 177.300 0.167 0.000 1.378 345 P CA -0.461 62.704 63.100 0.109 0.000 0.853 345 P CB 1.387 33.135 31.700 0.080 0.000 1.002 346 K N 2.344 122.911 120.400 0.277 0.000 2.187 346 K HA 0.428 4.825 4.320 0.128 0.000 0.247 346 K C 0.654 177.388 176.600 0.223 0.000 1.019 346 K CA -0.192 56.274 56.287 0.298 0.000 0.893 346 K CB 0.010 32.657 32.500 0.245 0.000 1.025 346 K HN 0.489 nan 8.250 nan 0.000 0.500 347 A N 0.841 123.817 122.820 0.260 0.000 2.567 347 A HA 0.376 4.773 4.320 0.128 0.000 0.240 347 A C 1.290 178.995 177.584 0.202 0.000 1.053 347 A CA 0.940 53.126 52.037 0.248 0.000 0.755 347 A CB -1.109 18.105 19.000 0.358 0.000 0.978 347 A HN 0.881 nan 8.150 nan 0.000 0.507 348 G N 1.542 110.440 108.800 0.163 0.000 2.268 348 G HA2 -0.237 3.800 3.960 0.128 0.000 0.240 348 G HA3 -0.237 3.800 3.960 0.128 0.000 0.240 348 G C 0.806 175.738 174.900 0.053 0.000 1.010 348 G CA 0.971 46.132 45.100 0.101 0.000 0.618 348 G HN 2.059 nan 8.290 nan 0.000 0.516 349 S N 0.228 115.975 115.700 0.078 0.000 2.641 349 S HA 0.573 5.120 4.470 0.128 0.000 0.261 349 S C 0.130 174.760 174.600 0.051 0.000 1.257 349 S CA -0.265 57.970 58.200 0.058 0.000 0.983 349 S CB 1.144 64.392 63.200 0.080 0.000 0.990 349 S HN 0.471 nan 8.310 nan 0.000 0.572 350 E N 1.061 121.286 120.200 0.042 0.000 2.316 350 E HA 0.209 4.635 4.350 0.128 0.000 0.275 350 E C -0.429 176.200 176.600 0.048 0.000 1.029 350 E CA -0.332 56.086 56.400 0.030 0.000 0.871 350 E CB 0.388 30.100 29.700 0.020 0.000 1.022 350 E HN 0.374 nan 8.360 nan 0.000 0.418 351 N N 2.835 121.559 118.700 0.039 0.000 2.476 351 N HA 0.273 5.090 4.740 0.128 0.000 0.275 351 N C -2.410 173.138 175.510 0.064 0.000 1.190 351 N CA -1.786 51.312 53.050 0.080 0.000 0.977 351 N CB 0.527 39.074 38.487 0.100 0.000 1.200 351 N HN 0.249 nan 8.380 nan 0.000 0.515 352 P HA 0.007 nan 4.420 nan 0.000 0.268 352 P C -0.601 176.713 177.300 0.023 0.000 1.204 352 P CA -0.040 63.097 63.100 0.061 0.000 0.768 352 P CB 0.550 32.304 31.700 0.090 0.000 0.842 353 S N 3.539 119.218 115.700 -0.034 0.000 2.452 353 S HA 0.429 4.976 4.470 0.128 0.000 0.284 353 S C -0.156 174.396 174.600 -0.080 0.000 1.171 353 S CA -0.775 57.380 58.200 -0.074 0.000 1.064 353 S CB -0.419 62.745 63.200 -0.060 0.000 0.967 353 S HN 0.427 nan 8.310 nan 0.000 0.484 354 I N 4.203 124.715 120.570 -0.098 0.000 2.648 354 I HA 0.689 4.935 4.170 0.128 0.000 0.304 354 I C -0.635 175.494 176.117 0.019 0.000 1.009 354 I CA -0.303 60.953 61.300 -0.072 0.000 1.114 354 I CB 2.076 40.026 38.000 -0.084 0.000 1.293 354 I HN 0.805 nan 8.210 nan 0.000 0.449 355 S N 6.535 122.241 115.700 0.009 0.000 2.536 355 S HA 0.533 5.079 4.470 0.128 0.000 0.271 355 S C -1.397 173.085 174.600 -0.198 0.000 1.134 355 S CA -0.797 57.380 58.200 -0.039 0.000 0.897 355 S CB 1.840 64.991 63.200 -0.081 0.000 1.094 355 S HN 0.541 nan 8.310 nan 0.000 0.473 356 L N 3.718 124.791 121.223 -0.249 0.000 2.282 356 L HA 0.631 5.048 4.340 0.128 0.000 0.288 356 L C -0.752 175.800 176.870 -0.530 0.000 1.033 356 L CA 0.187 54.852 54.840 -0.292 0.000 0.807 356 L CB 0.618 42.564 42.059 -0.189 0.000 1.209 356 L HN 0.886 nan 8.230 nan 0.000 0.423 357 H N 3.635 122.487 119.070 -0.364 0.000 2.797 357 H HA 0.760 5.393 4.556 0.129 0.000 0.372 357 H C -1.217 173.982 175.328 -0.215 0.000 1.168 357 H CA -0.726 55.097 56.048 -0.376 0.000 1.163 357 H CB 2.320 31.670 29.762 -0.687 0.000 1.778 357 H HN 0.379 nan 8.280 nan 0.000 0.551 358 V N 3.061 123.066 119.914 0.152 0.000 2.808 358 V HA 0.307 4.504 4.120 0.128 0.000 0.308 358 V C -0.524 175.723 176.094 0.254 0.000 1.099 358 V CA -0.811 61.637 62.300 0.247 0.000 0.920 358 V CB 1.884 33.847 31.823 0.234 0.000 1.014 358 V HN 0.584 nan 8.190 nan 0.000 0.425 359 I N 1.141 121.853 120.570 0.238 0.000 2.934 359 I HA 0.980 5.226 4.170 0.128 0.000 0.306 359 I C 0.408 176.565 176.117 0.066 0.000 1.110 359 I CA -0.853 60.530 61.300 0.138 0.000 1.019 359 I CB 1.743 39.789 38.000 0.077 0.000 1.227 359 I HN 0.621 nan 8.210 nan 0.000 0.434 360 G N 2.723 111.553 108.800 0.049 0.000 2.395 360 G HA2 0.532 4.569 3.960 0.128 0.000 0.283 360 G HA3 0.532 4.569 3.960 0.128 0.000 0.283 360 G C 0.058 174.922 174.900 -0.060 0.000 1.178 360 G CA -0.664 44.446 45.100 0.017 0.000 0.837 360 G HN 0.761 nan 8.290 nan 0.000 0.518 361 L N 1.376 122.540 121.223 -0.099 0.000 2.628 361 L HA 0.223 4.640 4.340 0.128 0.000 0.229 361 L C 0.056 176.928 176.870 0.004 0.000 1.137 361 L CA -0.202 54.510 54.840 -0.213 0.000 0.909 361 L CB -0.369 41.477 42.059 -0.356 0.000 1.137 361 L HN 0.608 nan 8.230 nan 0.000 0.470 362 N N -0.131 118.596 118.700 0.044 0.000 2.425 362 N HA 0.588 5.405 4.740 0.128 0.000 0.289 362 N C -0.280 175.272 175.510 0.070 0.000 1.074 362 N CA 0.045 53.147 53.050 0.086 0.000 0.905 362 N CB 1.467 40.007 38.487 0.088 0.000 1.586 362 N HN 0.053 nan 8.380 nan 0.000 0.490 363 G N 1.950 110.795 108.800 0.074 0.000 2.661 363 G HA2 -0.140 3.897 3.960 0.128 0.000 0.685 363 G HA3 -0.140 3.897 3.960 0.128 0.000 0.685 363 G C -2.120 172.828 174.900 0.079 0.000 1.298 363 G CA -0.522 44.622 45.100 0.073 0.000 0.855 363 G HN 0.461 nan 8.290 nan 0.000 0.560 364 P HA -0.117 nan 4.420 nan 0.000 0.220 364 P C 1.288 178.618 177.300 0.051 0.000 1.149 364 P CA 3.134 66.276 63.100 0.070 0.000 0.829 364 P CB -0.302 31.462 31.700 0.106 0.000 0.772 365 T N -3.793 110.829 114.554 0.113 0.000 2.851 365 T HA -0.247 4.180 4.350 0.128 0.000 0.470 365 T C -0.452 174.302 174.700 0.090 0.000 0.782 365 T CA -0.033 62.119 62.100 0.087 0.000 2.467 365 T CB -2.804 66.067 68.868 0.005 0.000 1.668 365 T HN 0.280 nan 8.240 nan 0.000 0.572 366 H N 2.189 121.274 119.070 0.024 0.000 2.878 366 H HA 0.464 5.097 4.556 0.129 0.000 0.290 366 H C 0.513 175.873 175.328 0.053 0.000 1.065 366 H CA -0.018 56.050 56.048 0.033 0.000 1.477 366 H CB 0.760 30.544 29.762 0.036 0.000 1.484 366 H HN 0.553 nan 8.280 nan 0.000 0.504 367 D N 3.692 124.160 120.400 0.114 0.000 2.312 367 D HA 0.163 4.880 4.640 0.128 0.000 0.252 367 D C -0.842 175.552 176.300 0.156 0.000 1.150 367 D CA -0.334 53.746 54.000 0.132 0.000 0.870 367 D CB 0.645 41.493 40.800 0.080 0.000 1.153 367 D HN 0.285 nan 8.370 nan 0.000 0.457 368 L N 2.781 124.114 121.223 0.183 0.000 2.381 368 L HA 0.369 4.786 4.340 0.128 0.000 0.268 368 L C 0.264 177.241 176.870 0.178 0.000 0.997 368 L CA -0.787 54.151 54.840 0.163 0.000 0.818 368 L CB 1.935 44.066 42.059 0.121 0.000 1.310 368 L HN 0.337 nan 8.230 nan 0.000 0.416 369 E N 2.732 123.016 120.200 0.140 0.000 2.249 369 E HA 0.368 4.795 4.350 0.128 0.000 0.280 369 E C -1.013 175.565 176.600 -0.037 0.000 1.016 369 E CA -0.804 55.582 56.400 -0.024 0.000 0.830 369 E CB 0.936 30.609 29.700 -0.045 0.000 1.081 369 E HN 0.409 nan 8.360 nan 0.000 0.395 370 M N 4.402 123.961 119.600 -0.068 0.000 2.135 370 M HA 0.183 4.740 4.480 0.128 0.000 0.345 370 M C -0.510 175.812 176.300 0.037 0.000 1.340 370 M CA -0.440 54.863 55.300 0.005 0.000 1.162 370 M CB 0.069 32.685 32.600 0.026 0.000 1.570 370 M HN 0.599 nan 8.290 nan 0.000 0.454 371 M N 7.056 126.634 119.600 -0.036 0.000 2.238 371 M HA 0.213 4.770 4.480 0.128 0.000 0.350 371 M C -1.784 174.319 176.300 -0.327 0.000 1.321 371 M CA -1.779 53.446 55.300 -0.124 0.000 1.097 371 M CB -0.194 32.336 32.600 -0.117 0.000 1.713 371 M HN 0.342 nan 8.290 nan 0.000 0.455 372 P HA 0.331 nan 4.420 nan 0.000 0.276 372 P C -2.546 174.221 177.300 -0.889 0.000 1.261 372 P CA -1.024 61.255 63.100 -1.368 0.000 0.800 372 P CB -0.246 30.566 31.700 -1.480 0.000 1.066 373 P HA 0.049 nan 4.420 nan 0.000 0.321 373 P C -0.219 176.838 177.300 -0.405 0.000 1.338 373 P CA 0.622 63.381 63.100 -0.567 0.000 0.764 373 P CB 0.303 31.680 31.700 -0.539 0.000 1.641 374 D N -3.883 116.345 120.400 -0.286 0.000 2.218 374 D HA 0.050 4.767 4.640 0.128 0.000 0.307 374 D C -0.757 175.452 176.300 -0.152 0.000 1.086 374 D CA -0.062 53.819 54.000 -0.198 0.000 0.886 374 D CB -0.527 40.183 40.800 -0.150 0.000 1.645 374 D HN 0.219 nan 8.370 nan 0.000 0.523 375 D N 2.756 123.067 120.400 -0.148 0.000 4.368 375 D HA -0.107 4.610 4.640 0.128 0.000 0.202 375 D C -1.692 174.555 176.300 -0.088 0.000 1.209 375 D CA -0.009 53.926 54.000 -0.108 0.000 0.766 375 D CB 0.340 41.075 40.800 -0.108 0.000 1.226 375 D HN 0.153 nan 8.370 nan 0.000 0.663 376 P HA -0.196 nan 4.420 nan 0.000 0.221 376 P C 0.623 177.901 177.300 -0.037 0.000 1.141 376 P CA 1.056 64.127 63.100 -0.048 0.000 0.794 376 P CB 0.052 31.728 31.700 -0.040 0.000 0.764 377 R N -1.482 118.993 120.500 -0.041 0.000 2.752 377 R HA 0.284 4.701 4.340 0.128 0.000 0.279 377 R C 0.350 176.637 176.300 -0.022 0.000 1.212 377 R CA 0.110 56.193 56.100 -0.028 0.000 1.169 377 R CB -0.331 29.952 30.300 -0.029 0.000 1.286 377 R HN 0.090 nan 8.270 nan 0.000 0.564 378 M N 1.187 120.773 119.600 -0.023 0.000 5.002 378 M HA 0.215 4.772 4.480 0.128 0.000 0.592 378 M C -0.194 176.142 176.300 0.060 0.000 2.251 378 M CA -0.080 55.220 55.300 -0.000 0.000 0.437 378 M CB 1.192 33.730 32.600 -0.104 0.000 1.452 378 M HN 0.123 nan 8.290 nan 0.000 0.641 379 R N 0.208 120.750 120.500 0.070 0.000 2.189 379 R HA 0.291 4.708 4.340 0.128 0.000 0.203 379 R C 0.241 176.616 176.300 0.125 0.000 1.012 379 R CA 0.493 56.645 56.100 0.088 0.000 1.015 379 R CB 0.513 30.827 30.300 0.023 0.000 0.938 379 R HN 0.426 nan 8.270 nan 0.000 0.472 380 E N 0.509 120.755 120.200 0.077 0.000 2.185 380 E HA 0.313 4.740 4.350 0.128 0.000 0.261 380 E C -1.367 175.209 176.600 -0.040 0.000 0.879 380 E CA -0.596 55.763 56.400 -0.068 0.000 0.756 380 E CB 1.486 31.117 29.700 -0.116 0.000 1.152 380 E HN -0.004 nan 8.360 nan 0.000 0.416 381 Y N 0.926 121.136 120.300 -0.150 0.000 2.655 381 Y HA 0.608 5.235 4.550 0.128 0.000 0.336 381 Y C -1.640 174.180 175.900 -0.134 0.000 1.154 381 Y CA -1.276 56.738 58.100 -0.144 0.000 1.055 381 Y CB 0.808 39.313 38.460 0.075 0.000 1.295 381 Y HN 0.225 nan 8.280 nan 0.000 0.465 382 Y N 0.998 121.467 120.300 0.282 0.000 2.485 382 Y HA 0.637 5.264 4.550 0.128 0.000 0.345 382 Y C -0.467 175.574 175.900 0.235 0.000 0.998 382 Y CA -1.736 56.472 58.100 0.181 0.000 1.059 382 Y CB 1.991 40.424 38.460 -0.046 0.000 1.234 382 Y HN 0.526 nan 8.280 nan 0.000 0.461 383 I N 2.341 123.129 120.570 0.362 0.000 2.306 383 I HA 0.131 4.378 4.170 0.128 0.000 0.288 383 I C 0.763 176.881 176.117 0.003 0.000 1.036 383 I CA -0.119 61.198 61.300 0.028 0.000 1.221 383 I CB 1.312 39.233 38.000 -0.131 0.000 1.385 383 I HN 0.858 nan 8.210 nan 0.000 0.472 384 T N 3.486 117.994 114.554 -0.077 0.000 3.060 384 T HA 0.231 4.658 4.350 0.128 0.000 0.249 384 T C 0.417 175.053 174.700 -0.107 0.000 1.079 384 T CA 0.032 62.078 62.100 -0.090 0.000 1.013 384 T CB 0.425 69.254 68.868 -0.065 0.000 0.975 384 T HN 0.410 nan 8.240 nan 0.000 0.518 385 M N 1.728 121.212 119.600 -0.193 0.000 2.333 385 M HA 0.518 5.074 4.480 0.128 0.000 0.286 385 M C -2.416 173.631 176.300 -0.422 0.000 1.113 385 M CA -0.984 54.183 55.300 -0.222 0.000 0.959 385 M CB 1.858 34.395 32.600 -0.106 0.000 1.776 385 M HN 0.105 nan 8.290 nan 0.000 0.492 386 V N 4.984 124.533 119.914 -0.609 0.000 2.711 386 V HA 0.858 5.055 4.120 0.128 0.000 0.304 386 V C -1.938 173.629 176.094 -0.878 0.000 1.097 386 V CA -0.272 61.496 62.300 -0.886 0.000 0.906 386 V CB 2.127 33.139 31.823 -1.352 0.000 1.015 386 V HN 1.041 nan 8.190 nan 0.000 0.427 387 K N 4.993 125.043 120.400 -0.583 0.000 2.546 387 K HA 0.503 4.899 4.320 0.128 0.000 0.264 387 K C -1.927 174.475 176.600 -0.330 0.000 0.937 387 K CA -0.716 55.377 56.287 -0.323 0.000 0.833 387 K CB 1.871 34.328 32.500 -0.072 0.000 1.378 387 K HN 0.724 nan 8.250 nan 0.000 0.432 388 W N 2.607 123.830 121.300 -0.128 0.000 2.311 388 W HA 0.337 5.073 4.660 0.127 0.000 0.310 388 W C 0.921 177.250 176.519 -0.317 0.000 1.274 388 W CA -0.160 57.090 57.345 -0.158 0.000 1.215 388 W CB 1.446 30.891 29.460 -0.026 0.000 1.227 388 W HN 0.842 nan 8.180 nan 0.000 0.523 389 A N 2.388 124.989 122.820 -0.366 0.000 1.935 389 A HA 0.129 4.526 4.320 0.128 0.000 0.214 389 A C 1.066 178.503 177.584 -0.246 0.000 1.178 389 A CA 1.696 53.200 52.037 -0.888 0.000 0.640 389 A CB -0.354 17.867 19.000 -1.298 0.000 0.825 389 A HN 0.555 nan 8.150 nan 0.000 0.447 390 T N -5.742 108.805 114.554 -0.011 0.000 2.618 390 T HA 0.408 4.835 4.350 0.128 0.000 0.293 390 T C 0.401 175.202 174.700 0.167 0.000 1.093 390 T CA 0.384 62.530 62.100 0.078 0.000 1.061 390 T CB 0.953 69.861 68.868 0.066 0.000 1.498 390 T HN -0.145 nan 8.240 nan 0.000 0.494 391 S N -0.360 115.391 115.700 0.084 0.000 2.575 391 S HA 0.205 4.752 4.470 0.128 0.000 0.215 391 S C 1.332 175.988 174.600 0.092 0.000 0.966 391 S CA 0.624 58.816 58.200 -0.012 0.000 0.911 391 S CB -0.266 62.900 63.200 -0.058 0.000 0.780 391 S HN 0.836 nan 8.310 nan 0.000 0.514 392 T N 0.528 115.204 114.554 0.203 0.000 2.954 392 T HA 0.277 4.704 4.350 0.128 0.000 0.252 392 T C -0.015 174.832 174.700 0.244 0.000 0.983 392 T CA 0.050 62.280 62.100 0.217 0.000 0.941 392 T CB 0.179 69.115 68.868 0.114 0.000 1.141 392 T HN 0.107 nan 8.240 nan 0.000 0.500 393 K N 1.273 121.795 120.400 0.203 0.000 2.259 393 K HA 0.692 5.089 4.320 0.128 0.000 0.252 393 K C -1.584 174.979 176.600 -0.062 0.000 0.936 393 K CA -0.693 55.624 56.287 0.049 0.000 0.810 393 K CB 2.882 35.377 32.500 -0.009 0.000 1.143 393 K HN 0.043 nan 8.250 nan 0.000 0.427 394 V N 1.586 121.319 119.914 -0.302 0.000 2.638 394 V HA 0.661 4.858 4.120 0.128 0.000 0.306 394 V C -1.198 174.639 176.094 -0.429 0.000 1.052 394 V CA -0.534 61.410 62.300 -0.593 0.000 0.885 394 V CB 1.575 32.708 31.823 -1.150 0.000 0.999 394 V HN 0.907 nan 8.190 nan 0.000 0.424 395 A N 6.059 128.630 122.820 -0.415 0.000 2.328 395 A HA 0.799 5.196 4.320 0.128 0.000 0.284 395 A C -0.693 176.693 177.584 -0.331 0.000 1.160 395 A CA -0.335 51.543 52.037 -0.265 0.000 0.818 395 A CB 1.035 19.975 19.000 -0.101 0.000 1.087 395 A HN 1.198 nan 8.150 nan 0.000 0.504 396 V N 2.044 121.795 119.914 -0.271 0.000 2.760 396 V HA 0.499 4.696 4.120 0.128 0.000 0.309 396 V C -0.103 175.761 176.094 -0.383 0.000 1.077 396 V CA -0.487 61.546 62.300 -0.444 0.000 0.910 396 V CB 2.319 33.786 31.823 -0.593 0.000 1.008 396 V HN 0.918 nan 8.190 nan 0.000 0.424 397 T N 3.716 118.005 114.554 -0.441 0.000 2.770 397 T HA 0.468 4.895 4.350 0.128 0.000 0.283 397 T C -1.094 173.409 174.700 -0.329 0.000 0.988 397 T CA -0.151 61.814 62.100 -0.224 0.000 0.957 397 T CB 0.575 69.401 68.868 -0.070 0.000 0.930 397 T HN 0.557 nan 8.240 nan 0.000 0.443 398 W N 3.860 125.117 121.300 -0.071 0.000 2.329 398 W HA 0.642 5.379 4.660 0.129 0.000 0.312 398 W C -0.552 175.963 176.519 -0.006 0.000 1.054 398 W CA -0.957 56.354 57.345 -0.056 0.000 1.245 398 W CB 0.577 29.908 29.460 -0.215 0.000 1.255 398 W HN 0.357 nan 8.180 nan 0.000 0.436 399 L N 5.747 127.126 121.223 0.260 0.000 2.322 399 L HA 0.518 4.935 4.340 0.128 0.000 0.281 399 L C -0.110 176.902 176.870 0.236 0.000 1.014 399 L CA -0.723 54.248 54.840 0.218 0.000 0.815 399 L CB 0.657 42.841 42.059 0.209 0.000 1.247 399 L HN 0.474 nan 8.230 nan 0.000 0.421 400 N N 3.028 121.815 118.700 0.145 0.000 2.503 400 N HA 0.097 4.914 4.740 0.128 0.000 0.267 400 N C 0.802 176.286 175.510 -0.044 0.000 1.214 400 N CA -0.258 52.832 53.050 0.067 0.000 0.959 400 N CB 0.550 39.066 38.487 0.048 0.000 1.142 400 N HN 0.713 nan 8.380 nan 0.000 0.455 401 R N 1.740 122.094 120.500 -0.243 0.000 2.140 401 R HA -0.248 4.168 4.340 0.128 0.000 0.250 401 R C 1.525 177.811 176.300 -0.023 0.000 1.150 401 R CA 2.376 58.276 56.100 -0.332 0.000 0.966 401 R CB -1.068 29.066 30.300 -0.277 0.000 0.869 401 R HN 0.730 nan 8.270 nan 0.000 0.445 402 A N -0.066 122.752 122.820 -0.004 0.000 2.121 402 A HA -0.093 4.304 4.320 0.128 0.000 0.218 402 A C 0.594 178.207 177.584 0.048 0.000 1.154 402 A CA 1.164 53.217 52.037 0.026 0.000 0.679 402 A CB -0.261 18.751 19.000 0.020 0.000 0.795 402 A HN 0.648 nan 8.150 nan 0.000 0.458 403 Q N -1.376 118.473 119.800 0.081 0.000 2.475 403 Q HA -0.207 4.210 4.340 0.128 0.000 0.280 403 Q C 0.000 176.064 176.000 0.106 0.000 1.234 403 Q CA 0.653 56.523 55.803 0.112 0.000 0.873 403 Q CB -1.683 27.107 28.738 0.087 0.000 1.256 403 Q HN 0.999 nan 8.270 nan 0.000 0.475 404 N N -1.600 117.142 118.700 0.070 0.000 2.143 404 N HA 0.178 4.995 4.740 0.128 0.000 0.222 404 N C -0.337 175.188 175.510 0.024 0.000 1.264 404 N CA 0.135 53.213 53.050 0.046 0.000 0.897 404 N CB 1.115 39.617 38.487 0.026 0.000 1.092 404 N HN 0.045 nan 8.380 nan 0.000 0.516 405 V N 0.442 120.375 119.914 0.031 0.000 2.668 405 V HA 0.513 4.710 4.120 0.128 0.000 0.304 405 V C -0.991 175.119 176.094 0.025 0.000 1.071 405 V CA -0.748 61.557 62.300 0.008 0.000 0.894 405 V CB 1.739 33.557 31.823 -0.007 0.000 1.008 405 V HN 0.231 nan 8.190 nan 0.000 0.425 406 S N 4.835 120.534 115.700 -0.000 0.000 2.542 406 S HA 0.855 5.402 4.470 0.128 0.000 0.293 406 S C -1.126 173.452 174.600 -0.036 0.000 1.089 406 S CA -0.505 57.705 58.200 0.016 0.000 0.961 406 S CB 1.302 64.520 63.200 0.031 0.000 1.062 406 S HN 0.577 nan 8.310 nan 0.000 0.483 407 I N 4.112 124.696 120.570 0.022 0.000 2.497 407 I HA 0.340 4.587 4.170 0.128 0.000 0.284 407 I C -0.602 175.559 176.117 0.074 0.000 1.060 407 I CA -0.463 60.838 61.300 0.002 0.000 1.071 407 I CB 1.636 39.630 38.000 -0.010 0.000 1.216 407 I HN 0.488 nan 8.210 nan 0.000 0.442 408 L N 5.604 126.797 121.223 -0.050 0.000 2.397 408 L HA 0.490 4.906 4.340 0.128 0.000 0.271 408 L C -0.307 176.568 176.870 0.009 0.000 1.148 408 L CA 0.565 55.358 54.840 -0.077 0.000 0.825 408 L CB 1.330 43.247 42.059 -0.237 0.000 1.117 408 L HN 0.593 nan 8.230 nan 0.000 0.456 409 T N 4.645 119.216 114.554 0.029 0.000 2.956 409 T HA 0.416 4.843 4.350 0.128 0.000 0.312 409 T C -0.927 173.781 174.700 0.013 0.000 1.151 409 T CA -0.485 61.657 62.100 0.070 0.000 1.024 409 T CB 1.650 70.671 68.868 0.256 0.000 1.140 409 T HN 0.374 nan 8.240 nan 0.000 0.473 410 L N 2.539 123.768 121.223 0.010 0.000 2.298 410 L HA 0.574 4.991 4.340 0.128 0.000 0.284 410 L C -0.589 176.267 176.870 -0.023 0.000 1.013 410 L CA -0.611 54.217 54.840 -0.020 0.000 0.824 410 L CB 0.777 42.850 42.059 0.024 0.000 1.221 410 L HN 0.733 nan 8.230 nan 0.000 0.418 411 c N 1.319 119.882 118.600 -0.061 0.000 2.454 411 c HA 0.359 5.005 4.570 0.128 0.000 0.336 411 c C 0.105 174.167 174.090 -0.048 0.000 1.189 411 c CA -1.026 55.275 56.329 -0.047 0.000 1.877 411 c CB 1.649 44.128 42.510 -0.051 0.000 2.348 411 c HN 0.603 nan 8.230 nan 0.000 0.508 412 D N 1.189 121.580 120.400 -0.014 0.000 2.380 412 D HA 0.300 5.017 4.640 0.128 0.000 0.230 412 D C 0.772 177.094 176.300 0.036 0.000 1.154 412 D CA 0.025 54.036 54.000 0.018 0.000 0.859 412 D CB 1.431 42.244 40.800 0.022 0.000 1.045 412 D HN 0.744 nan 8.370 nan 0.000 0.495 413 A N 3.058 125.927 122.820 0.080 0.000 2.292 413 A HA -0.102 4.295 4.320 0.128 0.000 0.209 413 A C 1.539 179.204 177.584 0.135 0.000 1.209 413 A CA 1.571 53.695 52.037 0.145 0.000 0.746 413 A CB -0.406 18.824 19.000 0.384 0.000 0.764 413 A HN 0.607 nan 8.150 nan 0.000 0.492 414 T N -7.594 107.013 114.554 0.088 0.000 3.041 414 T HA 0.136 4.563 4.350 0.128 0.000 0.276 414 T C 1.218 175.944 174.700 0.043 0.000 0.948 414 T CA 0.874 63.014 62.100 0.066 0.000 0.885 414 T CB 0.244 69.144 68.868 0.054 0.000 1.175 414 T HN 0.124 nan 8.240 nan 0.000 0.529 415 T N 0.530 115.106 114.554 0.037 0.000 3.085 415 T HA 0.521 4.947 4.350 0.128 0.000 0.241 415 T C 1.787 176.499 174.700 0.020 0.000 0.988 415 T CA 0.673 62.786 62.100 0.022 0.000 1.117 415 T CB -0.072 68.803 68.868 0.012 0.000 0.978 415 T HN 0.751 nan 8.240 nan 0.000 0.454 416 G N 1.218 110.028 108.800 0.016 0.000 2.176 416 G HA2 -0.218 3.819 3.960 0.128 0.000 0.232 416 G HA3 -0.218 3.819 3.960 0.128 0.000 0.232 416 G C 0.158 175.049 174.900 -0.014 0.000 0.986 416 G CA -0.063 45.041 45.100 0.007 0.000 0.643 416 G HN 0.543 nan 8.290 nan 0.000 0.522 417 V N 1.503 121.407 119.914 -0.016 0.000 2.432 417 V HA 0.435 4.632 4.120 0.128 0.000 0.271 417 V C 0.868 176.941 176.094 -0.036 0.000 1.046 417 V CA -0.358 61.922 62.300 -0.034 0.000 0.945 417 V CB 1.004 32.811 31.823 -0.027 0.000 0.992 417 V HN 0.430 nan 8.190 nan 0.000 0.471 418 c N 4.219 122.783 118.600 -0.060 0.000 2.341 418 c HA 0.666 5.313 4.570 0.128 0.000 0.338 418 c C 0.720 174.769 174.090 -0.069 0.000 1.257 418 c CA -0.417 55.883 56.329 -0.047 0.000 1.883 418 c CB 1.009 43.495 42.510 -0.040 0.000 2.334 418 c HN 0.885 nan 8.230 nan 0.000 0.524 419 T N 2.647 117.178 114.554 -0.038 0.000 2.807 419 T HA 0.281 4.708 4.350 0.128 0.000 0.279 419 T C -0.240 174.443 174.700 -0.029 0.000 0.993 419 T CA -0.517 61.559 62.100 -0.039 0.000 0.970 419 T CB 1.042 69.900 68.868 -0.015 0.000 0.950 419 T HN 0.677 nan 8.240 nan 0.000 0.441 420 K N 1.903 122.273 120.400 -0.050 0.000 2.489 420 K HA 0.074 4.471 4.320 0.128 0.000 0.278 420 K C 0.458 177.061 176.600 0.006 0.000 1.000 420 K CA 0.253 56.517 56.287 -0.038 0.000 1.012 420 K CB 0.372 32.836 32.500 -0.060 0.000 0.903 420 K HN 0.408 nan 8.250 nan 0.000 0.485 421 K N 1.898 122.318 120.400 0.034 0.000 2.477 421 K HA 0.141 4.538 4.320 0.128 0.000 0.208 421 K C -0.933 175.759 176.600 0.152 0.000 1.117 421 K CA -0.065 56.277 56.287 0.093 0.000 1.039 421 K CB 0.285 32.858 32.500 0.122 0.000 0.937 421 K HN 0.767 nan 8.250 nan 0.000 0.570 422 H N -0.821 118.221 119.070 -0.048 0.000 2.891 422 H HA 0.057 4.690 4.556 0.128 0.000 0.250 422 H C -2.029 173.249 175.328 -0.082 0.000 1.407 422 H CA -0.411 55.592 56.048 -0.076 0.000 1.255 422 H CB 0.889 30.583 29.762 -0.113 0.000 1.811 422 H HN 0.103 nan 8.280 nan 0.000 0.444 423 E N 2.071 121.776 120.200 -0.825 0.000 2.388 423 E HA 0.423 4.850 4.350 0.128 0.000 0.282 423 E C -2.128 174.099 176.600 -0.622 0.000 1.026 423 E CA -0.880 55.179 56.400 -0.569 0.000 0.820 423 E CB 2.452 32.003 29.700 -0.249 0.000 1.226 423 E HN 0.437 nan 8.360 nan 0.000 0.432 424 D N 0.481 120.670 120.400 -0.351 0.000 2.601 424 D HA 0.464 5.181 4.640 0.128 0.000 0.230 424 D C -1.212 175.033 176.300 -0.091 0.000 1.106 424 D CA -0.653 53.236 54.000 -0.186 0.000 0.873 424 D CB 1.671 42.415 40.800 -0.094 0.000 1.515 424 D HN 0.575 nan 8.370 nan 0.000 0.468 425 E N -0.752 119.413 120.200 -0.058 0.000 2.366 425 E HA 0.709 5.136 4.350 0.128 0.000 0.278 425 E C -1.363 175.218 176.600 -0.032 0.000 0.923 425 E CA -1.036 55.342 56.400 -0.037 0.000 0.761 425 E CB 2.137 31.813 29.700 -0.040 0.000 1.231 425 E HN 0.205 nan 8.360 nan 0.000 0.443 426 S N 0.361 116.042 115.700 -0.031 0.000 2.627 426 S HA 0.237 4.784 4.470 0.128 0.000 0.283 426 S C 0.182 174.741 174.600 -0.067 0.000 1.127 426 S CA -0.497 57.672 58.200 -0.052 0.000 0.863 426 S CB 1.821 64.979 63.200 -0.071 0.000 1.121 426 S HN 0.648 nan 8.310 nan 0.000 0.479 427 E N 0.927 121.075 120.200 -0.086 0.000 2.051 427 E HA 0.027 4.454 4.350 0.128 0.000 0.189 427 E C 1.753 178.282 176.600 -0.119 0.000 0.979 427 E CA 1.082 57.435 56.400 -0.078 0.000 0.803 427 E CB -0.174 29.491 29.700 -0.060 0.000 0.761 427 E HN 0.620 nan 8.360 nan 0.000 0.451 428 A N 1.555 124.207 122.820 -0.281 0.000 2.260 428 A HA 0.061 4.458 4.320 0.128 0.000 0.208 428 A C 0.145 177.634 177.584 -0.158 0.000 1.588 428 A CA 1.074 52.884 52.037 -0.377 0.000 0.600 428 A CB -0.568 17.702 19.000 -1.217 0.000 1.142 428 A HN 0.396 nan 8.150 nan 0.000 0.494 429 W N -1.751 119.289 121.300 -0.434 0.000 3.256 429 W HA 0.624 5.362 4.660 0.129 0.000 0.324 429 W C -1.426 175.075 176.519 -0.030 0.000 1.196 429 W CA -1.214 56.014 57.345 -0.196 0.000 1.206 429 W CB 0.399 29.730 29.460 -0.215 0.000 1.385 429 W HN 0.291 nan 8.180 nan 0.000 0.522 430 L N 4.668 125.994 121.223 0.171 0.000 2.483 430 L HA 0.171 4.588 4.340 0.128 0.000 0.276 430 L C 0.604 177.694 176.870 0.367 0.000 1.213 430 L CA 0.537 55.484 54.840 0.178 0.000 0.843 430 L CB 0.068 42.216 42.059 0.149 0.000 1.107 430 L HN 0.826 nan 8.230 nan 0.000 0.487 431 H N 3.898 123.090 119.070 0.203 0.000 2.865 431 H HA 0.323 4.955 4.556 0.128 0.000 0.372 431 H C -0.336 175.053 175.328 0.101 0.000 1.173 431 H CA -0.775 55.404 56.048 0.217 0.000 1.147 431 H CB 1.407 31.284 29.762 0.191 0.000 1.805 431 H HN 0.500 nan 8.280 nan 0.000 0.553 432 R N 2.194 122.314 120.500 -0.633 0.000 3.079 432 R HA -0.140 4.277 4.340 0.128 0.000 0.254 432 R C -0.063 176.132 176.300 -0.175 0.000 0.900 432 R CA 0.265 56.052 56.100 -0.521 0.000 0.641 432 R CB -0.798 29.077 30.300 -0.707 0.000 1.307 432 R HN 0.686 nan 8.270 nan 0.000 0.477 433 Q N -0.083 119.656 119.800 -0.101 0.000 2.282 433 Q HA 0.062 4.479 4.340 0.128 0.000 0.206 433 Q C 0.615 176.601 176.000 -0.025 0.000 0.878 433 Q CA 0.585 56.385 55.803 -0.006 0.000 0.944 433 Q CB 0.380 29.135 28.738 0.030 0.000 1.100 433 Q HN 0.564 nan 8.270 nan 0.000 0.509 434 N N 0.629 119.285 118.700 -0.073 0.000 2.398 434 N HA -0.050 4.767 4.740 0.128 0.000 0.188 434 N C -0.028 175.448 175.510 -0.056 0.000 1.122 434 N CA -0.070 52.947 53.050 -0.056 0.000 0.866 434 N CB 0.219 38.675 38.487 -0.051 0.000 0.970 434 N HN -0.022 nan 8.380 nan 0.000 0.462 435 E N 2.276 122.414 120.200 -0.105 0.000 2.924 435 E HA -0.121 4.306 4.350 0.128 0.000 0.236 435 E C -0.565 175.938 176.600 -0.161 0.000 1.028 435 E CA 0.554 56.823 56.400 -0.218 0.000 0.952 435 E CB -0.157 29.275 29.700 -0.446 0.000 0.918 435 E HN 0.238 nan 8.360 nan 0.000 0.536 436 E N 5.810 125.956 120.200 -0.090 0.000 2.259 436 E HA 0.211 4.638 4.350 0.128 0.000 0.281 436 E C -1.971 174.646 176.600 0.029 0.000 1.027 436 E CA -1.888 54.523 56.400 0.020 0.000 0.838 436 E CB 0.850 30.586 29.700 0.060 0.000 1.066 436 E HN 0.441 nan 8.360 nan 0.000 0.401 437 P HA 0.113 nan 4.420 nan 0.000 0.281 437 P C -0.778 176.589 177.300 0.111 0.000 1.249 437 P CA -0.411 62.767 63.100 0.130 0.000 0.810 437 P CB 1.114 32.793 31.700 -0.034 0.000 1.008 438 V N 3.126 123.087 119.914 0.077 0.000 2.347 438 V HA 0.299 4.496 4.120 0.128 0.000 0.280 438 V C 0.062 176.251 176.094 0.158 0.000 1.021 438 V CA -0.272 62.142 62.300 0.190 0.000 0.847 438 V CB -0.030 31.884 31.823 0.151 0.000 0.990 438 V HN 0.349 nan 8.190 nan 0.000 0.444 439 F N 1.905 122.010 119.950 0.259 0.000 2.440 439 F HA 0.548 5.152 4.527 0.128 0.000 0.328 439 F C 1.014 177.004 175.800 0.317 0.000 1.070 439 F CA -0.659 57.513 58.000 0.286 0.000 1.011 439 F CB 1.575 40.703 39.000 0.213 0.000 1.226 439 F HN 0.507 nan 8.300 nan 0.000 0.491 440 S N 1.701 117.702 115.700 0.501 0.000 2.545 440 S HA 0.184 4.731 4.470 0.128 0.000 0.275 440 S C 1.011 175.825 174.600 0.357 0.000 1.299 440 S CA -0.920 57.571 58.200 0.486 0.000 1.048 440 S CB 1.159 64.616 63.200 0.428 0.000 0.938 440 S HN 0.523 nan 8.310 nan 0.000 0.496 441 K N 1.907 122.475 120.400 0.280 0.000 2.227 441 K HA -0.210 4.187 4.320 0.128 0.000 0.208 441 K C 1.133 177.833 176.600 0.166 0.000 1.045 441 K CA 2.047 58.447 56.287 0.189 0.000 0.931 441 K CB -0.649 31.929 32.500 0.130 0.000 0.721 441 K HN 0.960 nan 8.250 nan 0.000 0.469 442 D N -0.865 119.640 120.400 0.176 0.000 2.370 442 D HA 0.048 4.765 4.640 0.128 0.000 0.230 442 D C 0.991 177.390 176.300 0.165 0.000 1.143 442 D CA 0.632 54.719 54.000 0.144 0.000 0.834 442 D CB -0.298 40.576 40.800 0.124 0.000 0.944 442 D HN 0.229 nan 8.370 nan 0.000 0.504 443 G N 1.256 110.184 108.800 0.215 0.000 2.200 443 G HA2 -0.421 3.616 3.960 0.128 0.000 0.268 443 G HA3 -0.421 3.616 3.960 0.128 0.000 0.268 443 G C 0.678 175.767 174.900 0.314 0.000 0.986 443 G CA 0.823 46.073 45.100 0.250 0.000 0.677 443 G HN 0.546 nan 8.290 nan 0.000 0.532 444 R N 0.927 121.581 120.500 0.256 0.000 2.244 444 R HA 0.313 4.730 4.340 0.128 0.000 0.111 444 R C 1.639 178.057 176.300 0.196 0.000 0.601 444 R CA 0.295 56.510 56.100 0.191 0.000 1.800 444 R CB -0.095 30.283 30.300 0.131 0.000 0.620 444 R HN 0.473 nan 8.270 nan 0.000 0.671 445 K N 0.205 120.626 120.400 0.034 0.000 2.552 445 K HA -0.073 4.324 4.320 0.128 0.000 0.276 445 K C -0.719 175.783 176.600 -0.164 0.000 0.960 445 K CA 0.522 56.695 56.287 -0.190 0.000 0.961 445 K CB -0.003 32.322 32.500 -0.292 0.000 0.902 445 K HN 0.352 nan 8.250 nan 0.000 0.515 446 F N -1.625 118.068 119.950 -0.429 0.000 2.643 446 F HA 0.628 5.233 4.527 0.129 0.000 0.314 446 F C -1.649 173.760 175.800 -0.652 0.000 1.096 446 F CA -1.852 55.821 58.000 -0.545 0.000 0.953 446 F CB 0.913 39.299 39.000 -1.024 0.000 1.345 446 F HN 0.275 nan 8.300 nan 0.000 0.468 447 F N 2.692 122.595 119.950 -0.077 0.000 2.402 447 F HA 0.594 5.198 4.527 0.128 0.000 0.355 447 F C -0.525 175.345 175.800 0.117 0.000 1.123 447 F CA -0.790 57.163 58.000 -0.079 0.000 1.021 447 F CB 1.351 40.218 39.000 -0.221 0.000 1.160 447 F HN 0.537 nan 8.300 nan 0.000 0.451 448 F N 3.862 123.875 119.950 0.104 0.000 2.656 448 F HA 0.780 5.384 4.527 0.128 0.000 0.394 448 F C -0.769 175.049 175.800 0.030 0.000 1.168 448 F CA -1.495 56.550 58.000 0.074 0.000 1.135 448 F CB 1.393 40.461 39.000 0.114 0.000 1.480 448 F HN 0.290 nan 8.300 nan 0.000 0.500 449 I N 2.594 123.013 120.570 -0.252 0.000 2.702 449 I HA 0.395 4.642 4.170 0.128 0.000 0.287 449 I C -1.670 174.430 176.117 -0.028 0.000 1.342 449 I CA -0.318 60.902 61.300 -0.133 0.000 1.063 449 I CB 1.354 39.242 38.000 -0.186 0.000 1.331 449 I HN 0.818 nan 8.210 nan 0.000 0.427 450 R N 5.520 126.076 120.500 0.094 0.000 2.844 450 R HA 0.811 5.228 4.340 0.128 0.000 0.264 450 R C -1.429 174.736 176.300 -0.225 0.000 1.077 450 R CA -0.852 55.305 56.100 0.096 0.000 0.953 450 R CB 1.419 31.860 30.300 0.234 0.000 1.272 450 R HN 0.568 nan 8.270 nan 0.000 0.447 451 A N 1.646 124.161 122.820 -0.509 0.000 2.404 451 A HA 0.485 4.882 4.320 0.128 0.000 0.273 451 A C 0.363 177.793 177.584 -0.257 0.000 1.144 451 A CA -0.679 50.972 52.037 -0.644 0.000 0.806 451 A CB -0.401 18.150 19.000 -0.748 0.000 1.080 451 A HN 0.597 nan 8.150 nan 0.000 0.509 452 I N 0.895 121.365 120.570 -0.166 0.000 2.447 452 I HA 0.490 4.737 4.170 0.128 0.000 0.287 452 I C -2.382 173.707 176.117 -0.046 0.000 1.023 452 I CA -2.514 58.736 61.300 -0.083 0.000 1.083 452 I CB 2.055 40.016 38.000 -0.065 0.000 1.245 452 I HN 0.319 nan 8.210 nan 0.000 0.434 453 P HA -0.312 nan 4.420 nan 0.000 0.233 453 P C 0.187 177.495 177.300 0.013 0.000 1.141 453 P CA 1.847 64.934 63.100 -0.021 0.000 0.951 453 P CB -0.144 31.536 31.700 -0.032 0.000 0.778 454 Q N -2.314 117.475 119.800 -0.019 0.000 2.451 454 Q HA -0.244 4.173 4.340 0.128 0.000 0.305 454 Q C 1.208 177.183 176.000 -0.041 0.000 1.345 454 Q CA 1.342 57.116 55.803 -0.049 0.000 0.854 454 Q CB -2.244 26.476 28.738 -0.031 0.000 1.162 454 Q HN 0.510 nan 8.270 nan 0.000 0.440 455 G N -1.235 107.543 108.800 -0.037 0.000 2.677 455 G HA2 -0.319 3.718 3.960 0.128 0.000 0.321 455 G HA3 -0.319 3.718 3.960 0.128 0.000 0.321 455 G C 0.364 175.258 174.900 -0.009 0.000 1.181 455 G CA 0.509 45.593 45.100 -0.028 0.000 0.965 455 G HN 1.247 nan 8.290 nan 0.000 0.548 456 G N -1.202 107.595 108.800 -0.003 0.000 2.453 456 G HA2 0.702 4.739 3.960 0.128 0.000 0.323 456 G HA3 0.702 4.739 3.960 0.128 0.000 0.323 456 G C 0.156 175.081 174.900 0.041 0.000 1.198 456 G CA 0.258 45.364 45.100 0.010 0.000 0.959 456 G HN 1.375 nan 8.290 nan 0.000 0.482 457 R N -0.028 120.502 120.500 0.050 0.000 3.078 457 R HA -0.103 4.314 4.340 0.128 0.000 0.264 457 R C 0.804 177.211 176.300 0.179 0.000 1.049 457 R CA 0.498 56.652 56.100 0.091 0.000 0.689 457 R CB -1.876 28.488 30.300 0.106 0.000 1.286 457 R HN 2.518 nan 8.270 nan 0.000 0.390 458 G N 0.837 109.691 108.800 0.090 0.000 2.752 458 G HA2 -0.358 3.679 3.960 0.128 0.000 0.234 458 G HA3 -0.358 3.679 3.960 0.128 0.000 0.234 458 G C -0.299 174.659 174.900 0.096 0.000 1.367 458 G CA 0.271 45.392 45.100 0.035 0.000 0.879 458 G HN 0.489 nan 8.290 nan 0.000 0.563 459 K N -1.334 119.044 120.400 -0.037 0.000 2.281 459 K HA 0.843 5.240 4.320 0.128 0.000 0.242 459 K C -1.276 175.275 176.600 -0.082 0.000 0.971 459 K CA -0.916 55.381 56.287 0.017 0.000 0.834 459 K CB 2.033 34.459 32.500 -0.125 0.000 1.181 459 K HN 0.348 nan 8.250 nan 0.000 0.435 460 F N -0.083 119.723 119.950 -0.241 0.000 2.611 460 F HA 0.340 4.944 4.527 0.128 0.000 0.324 460 F C -0.669 174.844 175.800 -0.478 0.000 1.061 460 F CA -1.164 56.656 58.000 -0.299 0.000 0.954 460 F CB 1.159 40.000 39.000 -0.265 0.000 1.301 460 F HN 0.356 nan 8.300 nan 0.000 0.482 461 Y N 2.395 122.543 120.300 -0.254 0.000 2.436 461 Y HA 0.359 4.986 4.550 0.129 0.000 0.343 461 Y C 0.347 175.891 175.900 -0.594 0.000 1.008 461 Y CA 0.213 58.135 58.100 -0.296 0.000 1.241 461 Y CB -0.026 38.314 38.460 -0.201 0.000 1.153 461 Y HN 0.341 nan 8.280 nan 0.000 0.521 462 H N 2.423 121.423 119.070 -0.117 0.000 2.949 462 H HA 0.456 5.089 4.556 0.128 0.000 0.356 462 H C -0.358 174.855 175.328 -0.191 0.000 1.212 462 H CA -1.064 54.844 56.048 -0.233 0.000 1.136 462 H CB 1.916 31.479 29.762 -0.332 0.000 1.869 462 H HN 0.478 nan 8.280 nan 0.000 0.556 463 I N 1.142 121.645 120.570 -0.112 0.000 2.696 463 I HA 0.092 4.339 4.170 0.128 0.000 0.284 463 I C 0.398 176.445 176.117 -0.117 0.000 1.129 463 I CA 0.683 61.901 61.300 -0.136 0.000 1.410 463 I CB 0.597 38.455 38.000 -0.238 0.000 1.399 463 I HN 0.342 nan 8.210 nan 0.000 0.579 464 T N 4.500 119.009 114.554 -0.076 0.000 2.903 464 T HA 0.559 4.986 4.350 0.128 0.000 0.299 464 T C -0.674 173.865 174.700 -0.269 0.000 1.093 464 T CA -0.475 61.532 62.100 -0.155 0.000 1.002 464 T CB 2.296 71.109 68.868 -0.093 0.000 1.127 464 T HN 0.247 nan 8.240 nan 0.000 0.488 465 V N 1.570 121.224 119.914 -0.432 0.000 2.769 465 V HA 0.881 5.078 4.120 0.128 0.000 0.312 465 V C -0.371 175.319 176.094 -0.673 0.000 1.061 465 V CA -0.706 61.170 62.300 -0.706 0.000 0.931 465 V CB 2.059 33.425 31.823 -0.760 0.000 1.010 465 V HN 0.968 nan 8.190 nan 0.000 0.433 466 S N 1.005 116.143 115.700 -0.937 0.000 2.537 466 S HA 0.553 5.100 4.470 0.128 0.000 0.270 466 S C -0.310 173.757 174.600 -0.889 0.000 1.142 466 S CA -0.687 56.986 58.200 -0.878 0.000 0.870 466 S CB 2.082 64.672 63.200 -1.016 0.000 1.112 466 S HN 1.080 nan 8.310 nan 0.000 0.466 467 S N 0.822 116.215 115.700 -0.512 0.000 2.600 467 S HA 0.307 4.853 4.470 0.128 0.000 0.265 467 S C 1.376 175.842 174.600 -0.223 0.000 1.325 467 S CA 0.003 58.013 58.200 -0.316 0.000 1.002 467 S CB 1.148 64.244 63.200 -0.173 0.000 0.921 467 S HN 0.686 nan 8.310 nan 0.000 0.554 468 S N 0.657 116.342 115.700 -0.025 0.000 2.382 468 S HA -0.117 4.430 4.470 0.128 0.000 0.228 468 S C 0.943 175.634 174.600 0.153 0.000 1.027 468 S CA 1.114 59.424 58.200 0.182 0.000 0.991 468 S CB -0.527 62.795 63.200 0.204 0.000 0.823 468 S HN 0.789 nan 8.310 nan 0.000 0.469 469 Q N 1.526 121.363 119.800 0.061 0.000 2.842 469 Q HA 0.320 4.737 4.340 0.128 0.000 0.323 469 Q C -2.675 173.331 176.000 0.010 0.000 1.111 469 Q CA -2.033 53.798 55.803 0.047 0.000 1.047 469 Q CB 1.211 29.970 28.738 0.034 0.000 1.280 469 Q HN 0.334 nan 8.270 nan 0.000 0.475 470 P HA -0.087 nan 4.420 nan 0.000 0.261 470 P C -0.738 176.554 177.300 -0.013 0.000 1.203 470 P CA 0.352 63.436 63.100 -0.027 0.000 0.767 470 P CB 0.408 32.100 31.700 -0.013 0.000 0.785 471 N N 1.863 120.547 118.700 -0.025 0.000 2.499 471 N HA 0.007 4.824 4.740 0.128 0.000 0.281 471 N C 1.476 176.973 175.510 -0.022 0.000 1.098 471 N CA -0.003 53.035 53.050 -0.020 0.000 0.979 471 N CB 0.848 39.322 38.487 -0.022 0.000 1.121 471 N HN 0.356 nan 8.380 nan 0.000 0.466 472 S N 1.941 117.630 115.700 -0.019 0.000 2.465 472 S HA -0.343 4.204 4.470 0.128 0.000 0.263 472 S C 1.927 176.513 174.600 -0.023 0.000 1.135 472 S CA 2.132 60.320 58.200 -0.021 0.000 1.118 472 S CB -0.844 62.342 63.200 -0.023 0.000 0.994 472 S HN 0.731 nan 8.310 nan 0.000 0.455 473 S N 3.507 119.192 115.700 -0.024 0.000 2.534 473 S HA -0.079 4.468 4.470 0.128 0.000 0.217 473 S C 0.895 175.479 174.600 -0.026 0.000 1.097 473 S CA 0.889 59.074 58.200 -0.025 0.000 1.288 473 S CB -0.883 62.301 63.200 -0.027 0.000 1.109 473 S HN 0.700 nan 8.310 nan 0.000 0.398 474 N N 1.687 120.368 118.700 -0.032 0.000 2.653 474 N HA 0.500 5.317 4.740 0.128 0.000 0.294 474 N C -1.572 173.910 175.510 -0.047 0.000 1.305 474 N CA -0.583 52.447 53.050 -0.035 0.000 0.827 474 N CB 0.657 39.121 38.487 -0.039 0.000 1.415 474 N HN 0.414 nan 8.380 nan 0.000 0.546 475 D N -0.456 119.909 120.400 -0.058 0.000 2.383 475 D HA 0.215 4.932 4.640 0.128 0.000 0.248 475 D C 0.270 176.491 176.300 -0.132 0.000 1.170 475 D CA -0.150 53.790 54.000 -0.100 0.000 0.977 475 D CB 0.621 41.345 40.800 -0.128 0.000 1.120 475 D HN 0.434 nan 8.370 nan 0.000 0.481 476 N N -0.261 118.326 118.700 -0.189 0.000 2.322 476 N HA 0.126 4.943 4.740 0.128 0.000 0.194 476 N C -0.210 175.166 175.510 -0.222 0.000 1.126 476 N CA -0.216 52.712 53.050 -0.203 0.000 0.845 476 N CB -0.339 37.987 38.487 -0.267 0.000 0.976 476 N HN 0.431 nan 8.380 nan 0.000 0.475 477 I N -0.537 119.902 120.570 -0.219 0.000 3.248 477 I HA -0.169 4.078 4.170 0.128 0.000 0.344 477 I C -0.205 175.803 176.117 -0.182 0.000 1.190 477 I CA 0.572 61.744 61.300 -0.213 0.000 1.489 477 I CB 0.144 38.047 38.000 -0.162 0.000 1.285 477 I HN 0.090 nan 8.210 nan 0.000 0.516 478 Q N 4.363 124.040 119.800 -0.204 0.000 3.155 478 Q HA 0.150 4.567 4.340 0.128 0.000 0.186 478 Q C -1.023 174.822 176.000 -0.259 0.000 0.949 478 Q CA -0.259 55.431 55.803 -0.188 0.000 1.252 478 Q CB 1.536 30.187 28.738 -0.146 0.000 1.715 478 Q HN 1.038 nan 8.270 nan 0.000 0.608 479 S N 2.232 117.780 115.700 -0.253 0.000 2.601 479 S HA 0.636 5.183 4.470 0.128 0.000 0.271 479 S C 1.267 175.581 174.600 -0.476 0.000 1.305 479 S CA -0.655 57.364 58.200 -0.302 0.000 1.022 479 S CB 1.077 64.134 63.200 -0.239 0.000 0.940 479 S HN 0.630 nan 8.310 nan 0.000 0.525 480 I N 0.721 120.984 120.570 -0.512 0.000 2.927 480 I HA 0.042 4.288 4.170 0.128 0.000 0.268 480 I C 1.276 177.148 176.117 -0.409 0.000 1.153 480 I CA 0.622 61.480 61.300 -0.738 0.000 1.459 480 I CB 0.009 37.707 38.000 -0.504 0.000 1.149 480 I HN 0.861 nan 8.210 nan 0.000 0.443 481 T N -1.221 113.151 114.554 -0.305 0.000 2.930 481 T HA 0.707 5.134 4.350 0.128 0.000 0.290 481 T C -0.321 173.988 174.700 -0.651 0.000 1.052 481 T CA -0.533 61.428 62.100 -0.232 0.000 1.017 481 T CB 2.250 71.110 68.868 -0.014 0.000 1.137 481 T HN 0.187 nan 8.240 nan 0.000 0.511 482 S N -0.943 114.267 115.700 -0.816 0.000 2.578 482 S HA 0.871 5.418 4.470 0.128 0.000 0.272 482 S C -0.186 173.979 174.600 -0.726 0.000 1.145 482 S CA -0.294 57.172 58.200 -1.223 0.000 0.835 482 S CB 1.096 63.980 63.200 -0.526 0.000 1.104 482 S HN 2.407 nan 8.310 nan 0.000 0.458 483 G N 0.559 108.966 108.800 -0.655 0.000 2.369 483 G HA2 0.290 4.327 3.960 0.128 0.000 0.295 483 G HA3 0.290 4.327 3.960 0.128 0.000 0.295 483 G C -2.165 172.360 174.900 -0.624 0.000 1.298 483 G CA -0.628 44.297 45.100 -0.291 0.000 0.940 483 G HN 0.703 nan 8.290 nan 0.000 0.536 484 D N 1.870 122.007 120.400 -0.438 0.000 2.943 484 D HA 0.364 5.081 4.640 0.128 0.000 0.249 484 D C 0.033 176.143 176.300 -0.317 0.000 1.231 484 D CA 0.441 53.812 54.000 -1.048 0.000 0.979 484 D CB -0.356 40.147 40.800 -0.496 0.000 1.053 484 D HN 0.536 nan 8.370 nan 0.000 0.504 485 W N -0.229 120.933 121.300 -0.230 0.000 3.153 485 W HA 0.381 5.117 4.660 0.128 0.000 0.316 485 W C -1.246 175.420 176.519 0.244 0.000 1.255 485 W CA -0.753 56.701 57.345 0.181 0.000 1.192 485 W CB 0.548 30.059 29.460 0.085 0.000 1.400 485 W HN -0.284 nan 8.180 nan 0.000 0.568 486 D N 1.348 121.990 120.400 0.404 0.000 2.198 486 D HA 0.458 5.175 4.640 0.128 0.000 0.247 486 D C -0.298 176.139 176.300 0.229 0.000 1.010 486 D CA -0.572 53.515 54.000 0.145 0.000 0.880 486 D CB 3.272 44.227 40.800 0.259 0.000 1.209 486 D HN 0.071 nan 8.370 nan 0.000 0.451 487 V N 1.356 121.291 119.914 0.036 0.000 2.546 487 V HA 0.216 4.413 4.120 0.128 0.000 0.284 487 V C 1.472 177.668 176.094 0.170 0.000 1.050 487 V CA -0.096 62.321 62.300 0.195 0.000 0.981 487 V CB 1.334 33.172 31.823 0.024 0.000 0.990 487 V HN 0.798 nan 8.190 nan 0.000 0.474 488 T N -0.027 114.661 114.554 0.223 0.000 3.010 488 T HA 0.318 4.745 4.350 0.128 0.000 0.257 488 T C 0.233 175.020 174.700 0.144 0.000 1.020 488 T CA -0.206 62.005 62.100 0.184 0.000 0.938 488 T CB 0.136 69.137 68.868 0.221 0.000 1.049 488 T HN 0.495 nan 8.240 nan 0.000 0.522 489 K N 0.950 121.455 120.400 0.176 0.000 2.560 489 K HA 0.391 4.788 4.320 0.128 0.000 0.276 489 K C -1.852 174.873 176.600 0.209 0.000 1.025 489 K CA -0.478 55.903 56.287 0.155 0.000 0.974 489 K CB 0.541 33.138 32.500 0.161 0.000 1.347 489 K HN 0.234 nan 8.250 nan 0.000 0.447 490 I N 6.865 127.519 120.570 0.140 0.000 2.471 490 I HA 0.110 4.357 4.170 0.128 0.000 0.286 490 I C 0.836 177.058 176.117 0.174 0.000 1.079 490 I CA -0.250 61.144 61.300 0.156 0.000 1.398 490 I CB 0.725 38.758 38.000 0.056 0.000 1.403 490 I HN 0.664 nan 8.210 nan 0.000 0.530 491 L N 6.025 127.376 121.223 0.212 0.000 2.388 491 L HA 0.432 4.849 4.340 0.128 0.000 0.209 491 L C 0.711 177.667 176.870 0.143 0.000 1.061 491 L CA 0.218 55.185 54.840 0.211 0.000 0.834 491 L CB 0.073 42.314 42.059 0.303 0.000 1.029 491 L HN 0.747 nan 8.230 nan 0.000 0.473 492 A N -1.267 121.600 122.820 0.077 0.000 2.597 492 A HA 0.534 4.931 4.320 0.128 0.000 0.292 492 A C -2.332 175.305 177.584 0.090 0.000 1.057 492 A CA -0.333 51.728 52.037 0.040 0.000 0.674 492 A CB 1.038 19.948 19.000 -0.150 0.000 1.278 492 A HN 0.024 nan 8.150 nan 0.000 0.416 493 Y N 1.263 121.517 120.300 -0.078 0.000 2.326 493 Y HA 0.580 5.206 4.550 0.128 0.000 0.329 493 Y C -0.868 174.994 175.900 -0.063 0.000 0.973 493 Y CA -1.281 56.721 58.100 -0.162 0.000 1.162 493 Y CB 1.692 40.008 38.460 -0.239 0.000 1.147 493 Y HN 0.697 nan 8.280 nan 0.000 0.456 494 D N 4.785 124.916 120.400 -0.449 0.000 2.494 494 D HA 0.108 4.825 4.640 0.128 0.000 0.217 494 D C 0.954 176.829 176.300 -0.708 0.000 1.153 494 D CA 0.213 53.965 54.000 -0.413 0.000 0.954 494 D CB 0.571 41.299 40.800 -0.120 0.000 1.034 494 D HN 0.845 nan 8.370 nan 0.000 0.518 495 E N 2.006 121.678 120.200 -0.881 0.000 2.219 495 E HA -0.159 4.268 4.350 0.128 0.000 0.198 495 E C 0.406 176.864 176.600 -0.237 0.000 0.998 495 E CA 0.748 56.762 56.400 -0.643 0.000 0.818 495 E CB 0.288 29.834 29.700 -0.258 0.000 0.741 495 E HN 0.233 nan 8.360 nan 0.000 0.477 496 K N 0.847 121.138 120.400 -0.181 0.000 2.686 496 K HA 0.088 4.485 4.320 0.128 0.000 0.244 496 K C 0.313 176.873 176.600 -0.066 0.000 1.262 496 K CA 0.654 56.891 56.287 -0.084 0.000 1.199 496 K CB 0.084 32.545 32.500 -0.064 0.000 1.428 496 K HN 0.322 nan 8.250 nan 0.000 0.247 497 G N 1.567 110.336 108.800 -0.051 0.000 2.130 497 G HA2 -0.201 3.836 3.960 0.128 0.000 0.151 497 G HA3 -0.201 3.836 3.960 0.128 0.000 0.151 497 G C -1.404 173.504 174.900 0.012 0.000 1.173 497 G CA -0.514 44.576 45.100 -0.016 0.000 1.278 497 G HN 0.381 nan 8.290 nan 0.000 0.479 498 N N 0.446 119.150 118.700 0.007 0.000 2.751 498 N HA 0.461 5.278 4.740 0.128 0.000 0.234 498 N C -1.248 174.260 175.510 -0.003 0.000 1.403 498 N CA -0.582 52.504 53.050 0.059 0.000 0.747 498 N CB 1.391 39.931 38.487 0.087 0.000 1.326 498 N HN 0.505 nan 8.380 nan 0.000 0.532 499 K N 1.162 121.514 120.400 -0.081 0.000 2.482 499 K HA 0.501 4.898 4.320 0.128 0.000 0.251 499 K C -1.202 175.216 176.600 -0.303 0.000 0.936 499 K CA -0.491 55.637 56.287 -0.265 0.000 0.791 499 K CB 2.628 34.950 32.500 -0.298 0.000 1.213 499 K HN 0.386 nan 8.250 nan 0.000 0.428 500 I N 4.102 124.424 120.570 -0.415 0.000 2.531 500 I HA 0.266 4.513 4.170 0.128 0.000 0.283 500 I C -1.418 174.584 176.117 -0.192 0.000 1.083 500 I CA -0.654 60.494 61.300 -0.254 0.000 1.071 500 I CB 0.862 38.716 38.000 -0.244 0.000 1.210 500 I HN 0.505 nan 8.210 nan 0.000 0.450 501 Y N 8.093 128.382 120.300 -0.017 0.000 2.320 501 Y HA 0.626 5.253 4.550 0.128 0.000 0.324 501 Y C 0.219 176.270 175.900 0.251 0.000 1.190 501 Y CA -0.400 57.686 58.100 -0.024 0.000 1.215 501 Y CB 1.056 39.202 38.460 -0.524 0.000 1.221 501 Y HN 0.446 nan 8.280 nan 0.000 0.486 502 F N -0.430 119.620 119.950 0.166 0.000 2.858 502 F HA 0.664 5.267 4.527 0.128 0.000 0.319 502 F C -2.441 173.479 175.800 0.199 0.000 1.166 502 F CA -1.576 56.516 58.000 0.153 0.000 0.899 502 F CB 0.859 39.918 39.000 0.099 0.000 1.332 502 F HN 0.078 nan 8.300 nan 0.000 0.461 503 L N 1.765 123.150 121.223 0.271 0.000 2.334 503 L HA 0.811 5.228 4.340 0.128 0.000 0.272 503 L C -0.284 176.743 176.870 0.261 0.000 1.020 503 L CA -0.489 54.459 54.840 0.180 0.000 0.812 503 L CB 1.429 43.577 42.059 0.148 0.000 1.264 503 L HN 0.939 nan 8.230 nan 0.000 0.439 504 S N -0.760 115.040 115.700 0.167 0.000 2.656 504 S HA 0.438 4.985 4.470 0.128 0.000 0.273 504 S C 0.325 174.992 174.600 0.111 0.000 1.168 504 S CA -0.296 58.015 58.200 0.184 0.000 0.817 504 S CB 2.073 65.308 63.200 0.057 0.000 1.146 504 S HN 0.705 nan 8.310 nan 0.000 0.475 505 T N -2.246 112.429 114.554 0.202 0.000 3.134 505 T HA 0.270 4.697 4.350 0.128 0.000 0.260 505 T C 0.943 175.708 174.700 0.109 0.000 1.027 505 T CA 0.011 62.194 62.100 0.139 0.000 0.913 505 T CB -0.059 68.940 68.868 0.218 0.000 1.046 505 T HN 0.601 nan 8.240 nan 0.000 0.553 506 E N 1.364 121.510 120.200 -0.090 0.000 2.171 506 E HA -0.249 4.178 4.350 0.128 0.000 0.197 506 E C 1.671 178.129 176.600 -0.236 0.000 0.997 506 E CA 1.446 57.516 56.400 -0.551 0.000 0.810 506 E CB -0.046 28.825 29.700 -1.382 0.000 0.738 506 E HN 0.568 nan 8.360 nan 0.000 0.467 507 D N -0.312 120.058 120.400 -0.051 0.000 2.087 507 D HA -0.081 4.636 4.640 0.128 0.000 0.210 507 D C -0.089 176.199 176.300 -0.020 0.000 0.973 507 D CA 0.875 54.868 54.000 -0.013 0.000 0.882 507 D CB 0.168 40.981 40.800 0.022 0.000 1.019 507 D HN 0.045 nan 8.370 nan 0.000 0.450 508 L N 0.278 121.493 121.223 -0.014 0.000 2.422 508 L HA 0.308 4.724 4.340 0.128 0.000 0.264 508 L C -1.756 175.116 176.870 0.002 0.000 0.984 508 L CA -1.846 52.988 54.840 -0.010 0.000 0.819 508 L CB 1.978 44.001 42.059 -0.059 0.000 1.330 508 L HN -0.086 nan 8.230 nan 0.000 0.410 509 P HA -0.172 nan 4.420 nan 0.000 0.220 509 P C 0.544 177.831 177.300 -0.021 0.000 1.144 509 P CA 1.303 64.447 63.100 0.073 0.000 0.800 509 P CB 0.162 31.959 31.700 0.162 0.000 0.772 510 R N -0.761 119.717 120.500 -0.035 0.000 2.319 510 R HA 0.194 4.610 4.340 0.128 0.000 0.204 510 R C 1.149 177.413 176.300 -0.059 0.000 0.954 510 R CA 0.125 56.200 56.100 -0.042 0.000 1.066 510 R CB -0.143 30.080 30.300 -0.128 0.000 0.991 510 R HN 0.243 nan 8.270 nan 0.000 0.486 511 R N 0.046 120.459 120.500 -0.145 0.000 2.930 511 R HA 0.495 4.912 4.340 0.128 0.000 0.257 511 R C -0.839 175.223 176.300 -0.396 0.000 1.107 511 R CA -1.194 54.768 56.100 -0.229 0.000 0.999 511 R CB 1.423 31.653 30.300 -0.116 0.000 1.209 511 R HN -0.202 nan 8.270 nan 0.000 0.486 512 R N 1.296 121.527 120.500 -0.450 0.000 2.507 512 R HA 0.245 4.662 4.340 0.128 0.000 0.298 512 R C -1.271 175.046 176.300 0.029 0.000 1.087 512 R CA -0.493 55.411 56.100 -0.326 0.000 0.917 512 R CB 1.353 31.259 30.300 -0.656 0.000 1.173 512 R HN 0.398 nan 8.270 nan 0.000 0.472 513 Q N 1.972 121.848 119.800 0.128 0.000 2.306 513 Q HA 0.381 4.798 4.340 0.128 0.000 0.265 513 Q C -0.740 175.294 176.000 0.057 0.000 1.022 513 Q CA -1.285 54.584 55.803 0.111 0.000 0.853 513 Q CB 2.751 31.486 28.738 -0.005 0.000 1.327 513 Q HN 0.363 nan 8.270 nan 0.000 0.449 514 L N 2.253 123.351 121.223 -0.209 0.000 2.290 514 L HA 0.346 4.762 4.340 0.128 0.000 0.284 514 L C -1.394 175.248 176.870 -0.380 0.000 1.078 514 L CA 0.184 54.890 54.840 -0.222 0.000 0.815 514 L CB 0.020 41.867 42.059 -0.354 0.000 1.162 514 L HN 0.437 nan 8.230 nan 0.000 0.435 515 Y N 2.042 122.019 120.300 -0.538 0.000 2.805 515 Y HA 0.823 5.450 4.550 0.128 0.000 0.321 515 Y C 0.160 175.738 175.900 -0.536 0.000 1.203 515 Y CA -0.418 57.306 58.100 -0.626 0.000 1.165 515 Y CB 1.752 39.624 38.460 -0.980 0.000 1.371 515 Y HN 0.651 nan 8.280 nan 0.000 0.564 516 S N -0.220 115.376 115.700 -0.173 0.000 2.543 516 S HA 0.915 5.462 4.470 0.128 0.000 0.274 516 S C -1.480 173.176 174.600 0.093 0.000 1.149 516 S CA -0.510 57.596 58.200 -0.157 0.000 0.866 516 S CB 1.458 64.463 63.200 -0.324 0.000 1.111 516 S HN 1.180 nan 8.310 nan 0.000 0.457 517 A N 1.702 124.591 122.820 0.114 0.000 2.566 517 A HA 0.832 5.229 4.320 0.128 0.000 0.292 517 A C -1.086 176.552 177.584 0.090 0.000 1.112 517 A CA -1.171 50.971 52.037 0.175 0.000 0.707 517 A CB 1.075 20.237 19.000 0.271 0.000 1.302 517 A HN 0.882 nan 8.150 nan 0.000 0.409 518 N N 0.354 119.154 118.700 0.168 0.000 2.434 518 N HA 0.346 5.163 4.740 0.128 0.000 0.272 518 N C 0.686 176.393 175.510 0.328 0.000 1.040 518 N CA 0.038 53.184 53.050 0.159 0.000 0.956 518 N CB 1.561 40.103 38.487 0.092 0.000 1.108 518 N HN 0.665 nan 8.380 nan 0.000 0.481 519 T N 1.176 115.903 114.554 0.289 0.000 3.007 519 T HA -0.017 4.410 4.350 0.128 0.000 0.270 519 T C 0.626 175.597 174.700 0.451 0.000 1.107 519 T CA 0.688 63.052 62.100 0.440 0.000 1.118 519 T CB 0.013 69.201 68.868 0.533 0.000 0.889 519 T HN 0.235 nan 8.240 nan 0.000 0.506 520 V N -0.860 119.194 119.914 0.233 0.000 3.284 520 V HA 0.665 4.862 4.120 0.128 0.000 0.309 520 V C 2.147 178.053 176.094 -0.313 0.000 1.190 520 V CA -0.521 61.804 62.300 0.041 0.000 1.038 520 V CB 0.468 32.305 31.823 0.022 0.000 1.198 520 V HN 0.279 nan 8.190 nan 0.000 0.465 521 G N 1.276 109.885 108.800 -0.319 0.000 3.282 521 G HA2 -0.407 3.629 3.960 0.128 0.000 0.358 521 G HA3 -0.407 3.629 3.960 0.128 0.000 0.358 521 G C 0.989 175.483 174.900 -0.677 0.000 1.920 521 G CA 2.028 46.878 45.100 -0.418 0.000 2.137 521 G HN 0.781 nan 8.290 nan 0.000 0.942 522 N N -0.514 117.859 118.700 -0.546 0.000 2.333 522 N HA 0.112 4.929 4.740 0.128 0.000 0.183 522 N C 0.659 175.958 175.510 -0.352 0.000 1.030 522 N CA 1.102 53.908 53.050 -0.405 0.000 0.867 522 N CB 0.129 38.525 38.487 -0.153 0.000 1.027 522 N HN 0.538 nan 8.380 nan 0.000 0.435 523 F N -0.015 119.951 119.950 0.027 0.000 2.900 523 F HA -0.159 4.445 4.527 0.128 0.000 0.297 523 F C -0.523 175.310 175.800 0.055 0.000 0.822 523 F CA -0.761 57.264 58.000 0.040 0.000 1.393 523 F CB -2.927 36.090 39.000 0.027 0.000 1.485 523 F HN -0.088 nan 8.300 nan 0.000 0.495 524 N N 1.465 120.265 118.700 0.166 0.000 2.475 524 N HA 0.340 5.157 4.740 0.128 0.000 0.267 524 N C 0.333 175.931 175.510 0.146 0.000 1.169 524 N CA -0.128 52.998 53.050 0.126 0.000 0.947 524 N CB 0.531 39.056 38.487 0.065 0.000 1.061 524 N HN 0.197 nan 8.380 nan 0.000 0.466 525 R N 1.892 122.491 120.500 0.165 0.000 2.221 525 R HA 0.185 4.602 4.340 0.128 0.000 0.327 525 R C -0.360 176.019 176.300 0.131 0.000 1.033 525 R CA -0.430 55.790 56.100 0.200 0.000 0.887 525 R CB 0.982 31.442 30.300 0.268 0.000 1.057 525 R HN 0.537 nan 8.270 nan 0.000 0.455 526 Q N 2.744 122.595 119.800 0.084 0.000 2.322 526 Q HA 0.187 4.604 4.340 0.128 0.000 0.265 526 Q C -1.163 174.776 176.000 -0.102 0.000 0.985 526 Q CA -0.550 55.253 55.803 0.001 0.000 0.849 526 Q CB 1.824 30.561 28.738 -0.003 0.000 1.274 526 Q HN 0.675 nan 8.270 nan 0.000 0.449 527 C N 6.625 125.782 119.300 -0.239 0.000 2.192 527 C HA 0.255 4.792 4.460 0.128 0.000 0.337 527 C C 1.365 176.100 174.990 -0.425 0.000 1.103 527 C CA -0.620 58.023 59.018 -0.624 0.000 1.581 527 C CB -1.466 25.794 27.740 -0.799 0.000 2.070 527 C HN 1.037 nan 8.230 nan 0.000 0.485 528 L N 4.717 125.719 121.223 -0.368 0.000 2.042 528 L HA -0.118 4.299 4.340 0.128 0.000 0.210 528 L C 2.740 179.437 176.870 -0.289 0.000 1.076 528 L CA 2.562 57.258 54.840 -0.240 0.000 0.749 528 L CB -0.887 41.050 42.059 -0.203 0.000 0.893 528 L HN 0.831 nan 8.230 nan 0.000 0.432 529 S N -2.159 113.273 115.700 -0.446 0.000 2.311 529 S HA -0.114 4.433 4.470 0.128 0.000 0.209 529 S C 1.059 175.481 174.600 -0.297 0.000 1.029 529 S CA 0.104 58.001 58.200 -0.505 0.000 0.968 529 S CB -1.084 61.594 63.200 -0.869 0.000 0.946 529 S HN 0.354 nan 8.310 nan 0.000 0.450 530 C N 3.481 122.624 119.300 -0.262 0.000 0.888 530 C HA -0.080 4.457 4.460 0.128 0.000 0.510 530 C C 0.550 175.501 174.990 -0.065 0.000 1.142 530 C CA 0.992 59.926 59.018 -0.141 0.000 2.298 530 C CB -2.432 25.185 27.740 -0.205 0.000 3.387 530 C HN 0.818 nan 8.230 nan 0.000 0.232 531 D N -0.906 119.501 120.400 0.012 0.000 3.077 531 D HA -0.232 4.485 4.640 0.128 0.000 0.217 531 D C 0.192 176.510 176.300 0.030 0.000 1.162 531 D CA 1.515 55.531 54.000 0.027 0.000 0.943 531 D CB -0.768 40.033 40.800 0.003 0.000 1.122 531 D HN 0.806 nan 8.370 nan 0.000 0.413 532 L N 0.432 121.665 121.223 0.017 0.000 2.479 532 L HA 0.238 4.655 4.340 0.128 0.000 0.249 532 L C 1.276 178.202 176.870 0.094 0.000 1.178 532 L CA -0.345 54.513 54.840 0.029 0.000 0.811 532 L CB 1.183 43.228 42.059 -0.022 0.000 1.187 532 L HN 0.075 nan 8.230 nan 0.000 0.480 533 V N 0.569 120.549 119.914 0.109 0.000 5.674 533 V HA -0.213 3.984 4.120 0.128 0.000 0.156 533 V C 0.512 176.690 176.094 0.140 0.000 0.726 533 V CA 0.409 62.785 62.300 0.128 0.000 0.518 533 V CB -1.927 30.002 31.823 0.176 0.000 0.181 533 V HN 0.839 nan 8.190 nan 0.000 0.381 534 E N 2.627 122.878 120.200 0.085 0.000 2.470 534 E HA 0.076 4.503 4.350 0.128 0.000 0.258 534 E C 1.384 178.005 176.600 0.035 0.000 1.295 534 E CA 0.819 57.258 56.400 0.064 0.000 1.032 534 E CB 0.065 29.787 29.700 0.037 0.000 0.980 534 E HN 0.918 nan 8.360 nan 0.000 0.500 535 N N -1.616 117.093 118.700 0.015 0.000 2.979 535 N HA -0.183 4.634 4.740 0.128 0.000 0.234 535 N C -1.048 174.440 175.510 -0.036 0.000 0.938 535 N CA 1.094 54.137 53.050 -0.011 0.000 0.961 535 N CB -1.457 37.014 38.487 -0.025 0.000 1.089 535 N HN 0.497 nan 8.380 nan 0.000 0.576 536 c N -1.395 117.180 118.600 -0.042 0.000 2.989 536 c HA 0.767 5.414 4.570 0.128 0.000 0.397 536 c C 1.144 175.083 174.090 -0.250 0.000 1.022 536 c CA 0.418 56.655 56.329 -0.154 0.000 1.232 536 c CB 1.046 43.427 42.510 -0.215 0.000 1.638 536 c HN 0.427 nan 8.230 nan 0.000 0.534 537 T N -0.541 113.850 114.554 -0.271 0.000 3.043 537 T HA 0.254 4.681 4.350 0.128 0.000 0.272 537 T C -0.262 174.260 174.700 -0.297 0.000 0.990 537 T CA 0.147 62.125 62.100 -0.203 0.000 0.897 537 T CB -0.194 68.645 68.868 -0.048 0.000 1.111 537 T HN 0.818 nan 8.240 nan 0.000 0.529 538 Y N 1.136 121.102 120.300 -0.557 0.000 2.342 538 Y HA 0.630 5.257 4.550 0.128 0.000 0.334 538 Y C -1.144 174.395 175.900 -0.602 0.000 1.067 538 Y CA -1.624 56.263 58.100 -0.355 0.000 1.128 538 Y CB 0.768 39.104 38.460 -0.207 0.000 1.200 538 Y HN 0.100 nan 8.280 nan 0.000 0.464 539 F N 1.769 121.724 119.950 0.009 0.000 2.626 539 F HA 0.591 5.195 4.527 0.128 0.000 0.311 539 F C -0.399 175.433 175.800 0.054 0.000 1.088 539 F CA -0.792 57.232 58.000 0.040 0.000 0.949 539 F CB 2.206 41.181 39.000 -0.041 0.000 1.322 539 F HN 0.292 nan 8.300 nan 0.000 0.461 540 S N 0.876 116.769 115.700 0.322 0.000 2.564 540 S HA 0.968 5.515 4.470 0.128 0.000 0.274 540 S C -1.495 173.198 174.600 0.156 0.000 1.124 540 S CA -0.027 58.298 58.200 0.208 0.000 0.869 540 S CB 1.681 64.997 63.200 0.193 0.000 1.105 540 S HN 1.332 nan 8.310 nan 0.000 0.472 541 A N 1.557 124.449 122.820 0.121 0.000 2.586 541 A HA 0.838 5.235 4.320 0.128 0.000 0.291 541 A C -1.025 176.639 177.584 0.133 0.000 1.062 541 A CA -0.236 51.840 52.037 0.066 0.000 0.666 541 A CB 0.960 19.901 19.000 -0.099 0.000 1.281 541 A HN 1.839 nan 8.150 nan 0.000 0.421 542 S N -0.323 115.462 115.700 0.142 0.000 2.536 542 S HA 0.849 5.396 4.470 0.128 0.000 0.271 542 S C -1.195 173.578 174.600 0.288 0.000 1.134 542 S CA -0.570 57.826 58.200 0.327 0.000 0.897 542 S CB 0.921 64.369 63.200 0.413 0.000 1.094 542 S HN 0.855 nan 8.310 nan 0.000 0.473 543 F N 2.081 122.097 119.950 0.109 0.000 2.440 543 F HA 0.666 5.270 4.527 0.128 0.000 0.328 543 F C 1.379 176.733 175.800 -0.743 0.000 1.070 543 F CA -0.605 57.274 58.000 -0.202 0.000 1.011 543 F CB 1.630 40.473 39.000 -0.261 0.000 1.226 543 F HN 0.849 nan 8.300 nan 0.000 0.491 544 S N -0.615 114.372 115.700 -1.188 0.000 2.587 544 S HA 0.011 4.558 4.470 0.128 0.000 0.260 544 S C 0.435 174.880 174.600 -0.259 0.000 1.353 544 S CA -0.428 56.994 58.200 -1.297 0.000 0.995 544 S CB -0.068 62.443 63.200 -1.148 0.000 0.912 544 S HN 0.740 nan 8.310 nan 0.000 0.568 545 H N 0.043 119.027 119.070 -0.144 0.000 2.832 545 H HA 0.186 4.819 4.556 0.128 0.000 0.297 545 H C 0.091 175.388 175.328 -0.052 0.000 1.103 545 H CA -0.141 55.894 56.048 -0.021 0.000 1.201 545 H CB -0.163 29.641 29.762 0.070 0.000 1.291 545 H HN 0.497 nan 8.280 nan 0.000 0.614 546 S N 0.090 115.780 115.700 -0.017 0.000 2.933 546 S HA 0.002 4.549 4.470 0.128 0.000 0.236 546 S C 0.739 175.260 174.600 -0.131 0.000 0.836 546 S CA -0.232 57.927 58.200 -0.068 0.000 1.298 546 S CB 0.462 63.619 63.200 -0.071 0.000 1.243 546 S HN 0.366 nan 8.310 nan 0.000 0.607 547 M N -0.545 118.974 119.600 -0.136 0.000 2.852 547 M HA -0.268 4.289 4.480 0.128 0.000 0.165 547 M C 0.479 176.702 176.300 -0.128 0.000 0.671 547 M CA 1.411 56.636 55.300 -0.125 0.000 0.627 547 M CB -2.546 29.960 32.600 -0.156 0.000 2.280 547 M HN 0.243 nan 8.290 nan 0.000 0.278 548 D N 0.684 120.886 120.400 -0.330 0.000 2.127 548 D HA -0.037 4.680 4.640 0.128 0.000 0.190 548 D C 0.842 176.766 176.300 -0.628 0.000 1.000 548 D CA 1.643 55.265 54.000 -0.630 0.000 0.839 548 D CB -0.117 40.007 40.800 -1.128 0.000 0.955 548 D HN 0.503 nan 8.370 nan 0.000 0.446 549 F N -1.136 118.754 119.950 -0.101 0.000 2.613 549 F HA 0.539 5.142 4.527 0.128 0.000 0.342 549 F C -0.256 175.445 175.800 -0.165 0.000 1.066 549 F CA -1.502 56.439 58.000 -0.099 0.000 1.002 549 F CB 1.114 40.142 39.000 0.047 0.000 1.319 549 F HN -0.182 nan 8.300 nan 0.000 0.495 550 F N -0.664 119.338 119.950 0.085 0.000 2.635 550 F HA 0.669 5.272 4.527 0.128 0.000 0.314 550 F C -2.176 173.638 175.800 0.025 0.000 1.119 550 F CA -1.505 56.375 58.000 -0.199 0.000 1.000 550 F CB 0.476 38.667 39.000 -1.347 0.000 1.278 550 F HN 0.319 nan 8.300 nan 0.000 0.446 551 L N 4.794 126.223 121.223 0.344 0.000 2.349 551 L HA 0.477 4.894 4.340 0.128 0.000 0.275 551 L C -0.583 176.320 176.870 0.056 0.000 1.115 551 L CA -0.737 54.090 54.840 -0.020 0.000 0.820 551 L CB 1.381 43.313 42.059 -0.211 0.000 1.135 551 L HN 0.708 nan 8.230 nan 0.000 0.445 552 L N 4.827 126.029 121.223 -0.035 0.000 2.406 552 L HA 0.486 4.903 4.340 0.128 0.000 0.272 552 L C -1.113 175.789 176.870 0.053 0.000 0.980 552 L CA -0.495 54.358 54.840 0.022 0.000 0.831 552 L CB 1.613 43.638 42.059 -0.056 0.000 1.253 552 L HN 0.670 nan 8.230 nan 0.000 0.406 553 K N 3.771 124.256 120.400 0.143 0.000 2.270 553 K HA 0.460 4.857 4.320 0.128 0.000 0.255 553 K C 0.427 177.165 176.600 0.231 0.000 0.936 553 K CA -0.851 55.521 56.287 0.142 0.000 0.809 553 K CB 2.022 34.571 32.500 0.081 0.000 1.131 553 K HN 0.467 nan 8.250 nan 0.000 0.427 554 c N 1.571 120.232 118.600 0.102 0.000 5.534 554 c HA -0.084 4.563 4.570 0.128 0.000 0.294 554 c C 1.053 175.087 174.090 -0.093 0.000 1.238 554 c CA 0.953 57.216 56.329 -0.110 0.000 1.883 554 c CB -0.991 41.447 42.510 -0.120 0.000 2.037 554 c HN 1.158 nan 8.230 nan 0.000 0.410 555 E N -1.520 118.653 120.200 -0.046 0.000 4.289 555 E HA -0.102 4.324 4.350 0.128 0.000 0.375 555 E C 0.164 176.740 176.600 -0.041 0.000 0.624 555 E CA 0.438 56.826 56.400 -0.019 0.000 1.443 555 E CB -1.646 28.056 29.700 0.003 0.000 1.807 555 E HN 0.962 nan 8.360 nan 0.000 0.378 556 G N -1.120 107.647 108.800 -0.054 0.000 2.353 556 G HA2 0.195 4.232 3.960 0.128 0.000 0.308 556 G HA3 0.195 4.232 3.960 0.128 0.000 0.308 556 G C -3.069 171.794 174.900 -0.061 0.000 1.418 556 G CA -0.452 44.647 45.100 -0.001 0.000 0.966 556 G HN -0.149 nan 8.290 nan 0.000 0.638 557 P HA 0.158 nan 4.420 nan 0.000 0.224 557 P C 1.444 178.805 177.300 0.101 0.000 1.157 557 P CA 1.411 64.559 63.100 0.080 0.000 0.799 557 P CB 0.253 32.006 31.700 0.087 0.000 0.809 558 G N -0.120 108.668 108.800 -0.019 0.000 2.599 558 G HA2 0.261 4.298 3.960 0.128 0.000 0.264 558 G HA3 0.261 4.298 3.960 0.128 0.000 0.264 558 G C -0.400 174.282 174.900 -0.363 0.000 1.200 558 G CA -0.396 44.633 45.100 -0.119 0.000 0.896 558 G HN -0.109 nan 8.290 nan 0.000 0.536 559 V N 2.423 121.950 119.914 -0.646 0.000 2.726 559 V HA -0.029 4.168 4.120 0.128 0.000 0.304 559 V C -1.440 174.360 176.094 -0.491 0.000 1.115 559 V CA -0.297 61.420 62.300 -0.972 0.000 1.264 559 V CB 0.458 31.884 31.823 -0.663 0.000 0.867 559 V HN 0.551 nan 8.190 nan 0.000 0.498 560 P HA 0.252 nan 4.420 nan 0.000 0.268 560 P C -0.323 176.906 177.300 -0.118 0.000 1.208 560 P CA 0.195 63.203 63.100 -0.154 0.000 0.777 560 P CB 0.400 32.075 31.700 -0.042 0.000 0.875 561 M N -1.131 118.430 119.600 -0.065 0.000 2.790 561 M HA 0.575 5.132 4.480 0.128 0.000 0.272 561 M C -1.972 174.307 176.300 -0.035 0.000 1.168 561 M CA -1.044 54.225 55.300 -0.053 0.000 0.829 561 M CB 1.541 34.103 32.600 -0.063 0.000 1.675 561 M HN -0.137 nan 8.290 nan 0.000 0.505 562 V N 1.038 120.908 119.914 -0.073 0.000 2.540 562 V HA 0.800 4.997 4.120 0.128 0.000 0.302 562 V C -0.420 175.550 176.094 -0.206 0.000 1.035 562 V CA -0.180 62.045 62.300 -0.124 0.000 0.873 562 V CB 1.876 33.598 31.823 -0.169 0.000 0.992 562 V HN 1.023 nan 8.190 nan 0.000 0.428 563 T N 3.053 117.483 114.554 -0.207 0.000 2.907 563 T HA 0.758 5.185 4.350 0.128 0.000 0.290 563 T C -0.806 173.661 174.700 -0.388 0.000 1.066 563 T CA -0.634 61.301 62.100 -0.274 0.000 1.012 563 T CB 2.217 71.083 68.868 -0.004 0.000 1.184 563 T HN 0.357 nan 8.240 nan 0.000 0.522 564 V N 1.795 121.367 119.914 -0.569 0.000 2.588 564 V HA 0.516 4.713 4.120 0.128 0.000 0.304 564 V C -0.733 175.127 176.094 -0.390 0.000 1.042 564 V CA -0.761 61.199 62.300 -0.566 0.000 0.877 564 V CB 1.502 32.679 31.823 -1.077 0.000 0.996 564 V HN 0.869 nan 8.190 nan 0.000 0.425 565 H N 3.009 121.654 119.070 -0.708 0.000 2.894 565 H HA 0.448 5.081 4.556 0.128 0.000 0.368 565 H C -0.844 174.230 175.328 -0.423 0.000 1.181 565 H CA -0.994 54.660 56.048 -0.657 0.000 1.146 565 H CB 2.573 31.727 29.762 -1.013 0.000 1.839 565 H HN 0.699 nan 8.280 nan 0.000 0.557 566 N N 0.749 119.475 118.700 0.044 0.000 2.485 566 N HA 0.001 4.818 4.740 0.128 0.000 0.243 566 N C 0.719 176.357 175.510 0.214 0.000 0.987 566 N CA -0.214 53.013 53.050 0.296 0.000 0.940 566 N CB 1.516 40.251 38.487 0.413 0.000 1.122 566 N HN 0.699 nan 8.380 nan 0.000 0.509 567 T N 2.029 116.754 114.554 0.284 0.000 2.654 567 T HA -0.394 4.032 4.350 0.128 0.000 0.251 567 T C 1.533 176.429 174.700 0.327 0.000 1.163 567 T CA 3.679 66.043 62.100 0.441 0.000 1.136 567 T CB -0.788 68.249 68.868 0.281 0.000 0.839 567 T HN 0.811 nan 8.240 nan 0.000 0.466 568 T N -0.199 114.475 114.554 0.199 0.000 2.564 568 T HA -0.133 4.294 4.350 0.128 0.000 0.259 568 T C 1.790 176.582 174.700 0.153 0.000 1.087 568 T CA 1.689 63.883 62.100 0.157 0.000 1.184 568 T CB -1.127 67.801 68.868 0.100 0.000 0.864 568 T HN 0.463 nan 8.240 nan 0.000 0.403 569 D N 1.586 122.066 120.400 0.133 0.000 2.157 569 D HA -0.211 4.506 4.640 0.128 0.000 0.191 569 D C 1.071 177.448 176.300 0.128 0.000 1.004 569 D CA 1.830 55.897 54.000 0.112 0.000 0.854 569 D CB -0.207 40.652 40.800 0.098 0.000 0.936 569 D HN 0.666 nan 8.370 nan 0.000 0.446 570 K N -1.131 119.379 120.400 0.184 0.000 3.509 570 K HA -0.197 4.200 4.320 0.128 0.000 0.302 570 K C 0.267 177.002 176.600 0.224 0.000 1.355 570 K CA 0.673 57.113 56.287 0.254 0.000 0.953 570 K CB -1.291 31.322 32.500 0.189 0.000 1.321 570 K HN 0.237 nan 8.250 nan 0.000 0.461 571 K N 2.836 123.271 120.400 0.058 0.000 2.297 571 K HA 0.103 4.500 4.320 0.128 0.000 0.286 571 K C -0.139 176.225 176.600 -0.393 0.000 1.053 571 K CA -0.337 55.897 56.287 -0.089 0.000 0.940 571 K CB 0.752 33.229 32.500 -0.038 0.000 1.019 571 K HN 0.066 nan 8.250 nan 0.000 0.475 572 K N 6.161 126.187 120.400 -0.623 0.000 2.250 572 K HA -0.042 4.354 4.320 0.128 0.000 0.277 572 K C 0.861 177.213 176.600 -0.413 0.000 1.091 572 K CA 0.139 55.889 56.287 -0.895 0.000 1.046 572 K CB 0.179 32.344 32.500 -0.558 0.000 0.982 572 K HN 0.728 nan 8.250 nan 0.000 0.429 573 M N 3.894 123.293 119.600 -0.336 0.000 2.358 573 M HA -0.059 4.498 4.480 0.128 0.000 0.264 573 M C -0.205 176.243 176.300 0.247 0.000 1.064 573 M CA 1.071 56.371 55.300 0.000 0.000 1.093 573 M CB -0.499 32.175 32.600 0.123 0.000 1.401 573 M HN 0.625 nan 8.290 nan 0.000 0.440 574 F N -3.809 115.980 119.950 -0.269 0.000 3.086 574 F HA 0.298 4.902 4.527 0.128 0.000 0.335 574 F C -2.280 173.364 175.800 -0.260 0.000 1.082 574 F CA -2.201 55.662 58.000 -0.229 0.000 0.853 574 F CB 0.184 39.050 39.000 -0.223 0.000 1.676 574 F HN -0.283 nan 8.300 nan 0.000 0.442 575 D N 1.911 122.206 120.400 -0.175 0.000 2.168 575 D HA 0.429 5.146 4.640 0.128 0.000 0.246 575 D C 0.393 176.542 176.300 -0.252 0.000 1.050 575 D CA -0.261 53.582 54.000 -0.262 0.000 0.857 575 D CB 2.504 43.243 40.800 -0.102 0.000 1.169 575 D HN 0.625 nan 8.370 nan 0.000 0.453 576 L N 1.652 122.648 121.223 -0.378 0.000 2.286 576 L HA 0.166 4.583 4.340 0.128 0.000 0.203 576 L C 0.085 176.883 176.870 -0.120 0.000 1.068 576 L CA 1.362 56.012 54.840 -0.316 0.000 0.811 576 L CB 0.165 41.938 42.059 -0.476 0.000 0.989 576 L HN 0.361 nan 8.230 nan 0.000 0.467 577 E N -2.412 117.728 120.200 -0.101 0.000 2.311 577 E HA 0.238 4.665 4.350 0.128 0.000 0.281 577 E C -0.116 176.460 176.600 -0.039 0.000 0.905 577 E CA 0.410 56.799 56.400 -0.018 0.000 0.778 577 E CB 1.508 31.217 29.700 0.015 0.000 1.240 577 E HN -0.006 nan 8.360 nan 0.000 0.410 578 T N 2.499 117.042 114.554 -0.019 0.000 2.969 578 T HA 0.169 4.596 4.350 0.128 0.000 0.250 578 T C -0.145 174.522 174.700 -0.054 0.000 1.021 578 T CA 0.682 62.759 62.100 -0.039 0.000 1.003 578 T CB -0.314 68.538 68.868 -0.026 0.000 1.040 578 T HN 0.596 nan 8.240 nan 0.000 0.492 579 N N 2.225 120.901 118.700 -0.041 0.000 2.696 579 N HA -0.168 4.648 4.740 0.128 0.000 0.256 579 N C 0.302 175.782 175.510 -0.050 0.000 1.031 579 N CA 0.764 53.765 53.050 -0.082 0.000 0.730 579 N CB -0.674 37.732 38.487 -0.135 0.000 0.894 579 N HN 0.542 nan 8.380 nan 0.000 0.544 580 E N 0.349 120.560 120.200 0.019 0.000 2.106 580 E HA -0.127 4.300 4.350 0.128 0.000 0.192 580 E C 1.360 177.933 176.600 -0.045 0.000 0.984 580 E CA 1.691 58.075 56.400 -0.028 0.000 0.806 580 E CB -0.012 29.666 29.700 -0.038 0.000 0.750 580 E HN 0.587 nan 8.360 nan 0.000 0.458 581 H N -0.558 118.431 119.070 -0.135 0.000 2.267 581 H HA -0.181 4.452 4.556 0.129 0.000 0.291 581 H C 2.105 177.308 175.328 -0.207 0.000 1.094 581 H CA 2.147 58.108 56.048 -0.145 0.000 1.227 581 H CB -0.814 28.860 29.762 -0.147 0.000 1.351 581 H HN 0.063 nan 8.280 nan 0.000 0.483 582 V N 0.927 120.795 119.914 -0.077 0.000 2.287 582 V HA -0.271 3.926 4.120 0.128 0.000 0.248 582 V C 2.145 178.102 176.094 -0.228 0.000 1.053 582 V CA 2.088 64.266 62.300 -0.203 0.000 1.027 582 V CB -0.448 31.283 31.823 -0.153 0.000 0.646 582 V HN 0.443 nan 8.190 nan 0.000 0.447 583 K N 0.171 120.465 120.400 -0.176 0.000 2.097 583 K HA -0.224 4.173 4.320 0.128 0.000 0.206 583 K C 2.223 178.737 176.600 -0.143 0.000 1.049 583 K CA 1.499 57.690 56.287 -0.162 0.000 0.933 583 K CB -0.198 32.222 32.500 -0.134 0.000 0.717 583 K HN 0.457 nan 8.250 nan 0.000 0.442 584 K N 1.291 121.603 120.400 -0.146 0.000 1.967 584 K HA -0.126 4.271 4.320 0.128 0.000 0.212 584 K C 2.276 178.781 176.600 -0.159 0.000 1.044 584 K CA 1.311 57.519 56.287 -0.131 0.000 0.942 584 K CB -0.263 32.157 32.500 -0.132 0.000 0.726 584 K HN 0.061 nan 8.250 nan 0.000 0.440 585 A N 2.032 124.701 122.820 -0.251 0.000 1.940 585 A HA -0.245 4.152 4.320 0.128 0.000 0.221 585 A C 2.199 179.581 177.584 -0.335 0.000 1.190 585 A CA 2.030 53.837 52.037 -0.383 0.000 0.647 585 A CB -0.868 17.636 19.000 -0.827 0.000 0.821 585 A HN 0.643 nan 8.150 nan 0.000 0.457 586 I N -0.724 119.665 120.570 -0.301 0.000 2.252 586 I HA -0.229 4.018 4.170 0.128 0.000 0.245 586 I C 1.478 177.592 176.117 -0.005 0.000 1.102 586 I CA 1.795 63.053 61.300 -0.070 0.000 1.385 586 I CB -0.264 37.731 38.000 -0.010 0.000 1.064 586 I HN 0.244 nan 8.210 nan 0.000 0.414 587 N N 1.385 120.059 118.700 -0.043 0.000 2.573 587 N HA -0.122 4.695 4.740 0.128 0.000 0.187 587 N C 0.648 176.156 175.510 -0.003 0.000 1.107 587 N CA 0.915 53.953 53.050 -0.020 0.000 0.918 587 N CB -0.308 38.157 38.487 -0.037 0.000 0.966 587 N HN 0.494 nan 8.380 nan 0.000 0.448 588 D N -0.624 119.777 120.400 0.002 0.000 2.349 588 D HA 0.075 4.792 4.640 0.128 0.000 0.214 588 D C 0.420 176.756 176.300 0.060 0.000 1.063 588 D CA 0.254 54.268 54.000 0.025 0.000 0.847 588 D CB 0.621 41.436 40.800 0.024 0.000 0.933 588 D HN 0.065 nan 8.370 nan 0.000 0.513 589 R N 0.318 120.865 120.500 0.078 0.000 2.803 589 R HA 0.316 4.733 4.340 0.128 0.000 0.276 589 R C -0.353 175.988 176.300 0.068 0.000 0.978 589 R CA -0.546 55.613 56.100 0.099 0.000 0.939 589 R CB 1.313 31.723 30.300 0.183 0.000 1.179 589 R HN -0.147 nan 8.270 nan 0.000 0.472 590 Q N 3.441 123.272 119.800 0.052 0.000 3.159 590 Q HA 0.132 4.549 4.340 0.128 0.000 0.280 590 Q C -0.322 175.695 176.000 0.027 0.000 1.403 590 Q CA -0.020 55.804 55.803 0.034 0.000 0.957 590 Q CB 0.152 28.906 28.738 0.026 0.000 1.729 590 Q HN 0.199 nan 8.270 nan 0.000 0.551 591 M N 3.198 122.820 119.600 0.038 0.000 2.248 591 M HA 0.068 4.625 4.480 0.128 0.000 0.343 591 M C -1.840 174.453 176.300 -0.012 0.000 1.243 591 M CA -1.753 53.564 55.300 0.028 0.000 1.025 591 M CB -0.680 31.954 32.600 0.057 0.000 1.759 591 M HN 0.236 nan 8.290 nan 0.000 0.452 592 P HA 0.065 nan 4.420 nan 0.000 0.269 592 P C -0.762 176.481 177.300 -0.095 0.000 1.217 592 P CA -0.070 62.977 63.100 -0.089 0.000 0.783 592 P CB 0.641 32.263 31.700 -0.130 0.000 0.898 593 K N 1.773 122.093 120.400 -0.133 0.000 2.234 593 K HA 0.331 4.728 4.320 0.128 0.000 0.277 593 K C -0.524 175.959 176.600 -0.196 0.000 1.038 593 K CA -0.744 55.460 56.287 -0.139 0.000 0.888 593 K CB 0.596 33.011 32.500 -0.142 0.000 1.091 593 K HN 0.161 nan 8.250 nan 0.000 0.467 594 V N 3.383 123.198 119.914 -0.166 0.000 2.953 594 V HA 0.278 4.475 4.120 0.128 0.000 0.304 594 V C -0.170 175.756 176.094 -0.282 0.000 1.073 594 V CA -0.191 61.961 62.300 -0.248 0.000 1.064 594 V CB 1.210 32.922 31.823 -0.184 0.000 1.047 594 V HN 0.878 nan 8.190 nan 0.000 0.478 595 E N 1.170 121.094 120.200 -0.460 0.000 2.506 595 E HA 0.346 4.773 4.350 0.128 0.000 0.308 595 E C -2.073 174.249 176.600 -0.464 0.000 0.931 595 E CA -0.531 55.664 56.400 -0.342 0.000 0.800 595 E CB 1.793 31.348 29.700 -0.240 0.000 1.292 595 E HN 0.632 nan 8.360 nan 0.000 0.401 596 Y N 1.149 121.437 120.300 -0.020 0.000 2.342 596 Y HA 0.490 5.117 4.550 0.128 0.000 0.334 596 Y C 0.523 176.428 175.900 0.008 0.000 1.067 596 Y CA -0.727 57.373 58.100 -0.001 0.000 1.128 596 Y CB 1.563 40.030 38.460 0.012 0.000 1.200 596 Y HN 0.327 nan 8.280 nan 0.000 0.464 597 R N 2.271 122.854 120.500 0.138 0.000 2.754 597 R HA 0.239 4.656 4.340 0.128 0.000 0.255 597 R C -1.697 174.660 176.300 0.095 0.000 1.723 597 R CA -0.609 55.547 56.100 0.094 0.000 1.596 597 R CB -0.137 30.194 30.300 0.051 0.000 1.424 597 R HN 0.737 nan 8.270 nan 0.000 0.662 598 D N 2.490 122.956 120.400 0.110 0.000 2.581 598 D HA -0.101 4.616 4.640 0.128 0.000 0.238 598 D C 0.399 176.749 176.300 0.084 0.000 1.145 598 D CA 0.667 54.728 54.000 0.101 0.000 0.866 598 D CB 0.664 41.522 40.800 0.097 0.000 1.151 598 D HN 0.193 nan 8.370 nan 0.000 0.500 599 I N 1.223 121.843 120.570 0.083 0.000 3.573 599 I HA 0.523 4.769 4.170 0.128 0.000 0.285 599 I C -0.451 175.717 176.117 0.084 0.000 1.203 599 I CA -0.944 60.400 61.300 0.072 0.000 1.033 599 I CB 1.516 39.554 38.000 0.064 0.000 1.348 599 I HN 0.680 nan 8.210 nan 0.000 0.525 600 E N 1.665 121.913 120.200 0.081 0.000 2.400 600 E HA 0.456 4.883 4.350 0.128 0.000 0.285 600 E C -1.881 174.776 176.600 0.096 0.000 1.005 600 E CA -0.642 55.817 56.400 0.098 0.000 0.816 600 E CB 1.566 31.321 29.700 0.093 0.000 1.220 600 E HN 0.379 nan 8.360 nan 0.000 0.426 601 I N 2.155 122.802 120.570 0.129 0.000 2.478 601 I HA 0.332 4.579 4.170 0.128 0.000 0.287 601 I C -0.657 175.559 176.117 0.164 0.000 1.042 601 I CA -0.462 60.914 61.300 0.126 0.000 1.067 601 I CB 1.392 39.467 38.000 0.125 0.000 1.233 601 I HN 0.717 nan 8.210 nan 0.000 0.431 602 D N 3.077 123.530 120.400 0.089 0.000 3.635 602 D HA -0.241 4.476 4.640 0.128 0.000 0.258 602 D C 0.395 176.652 176.300 -0.072 0.000 1.899 602 D CA 1.575 55.588 54.000 0.021 0.000 1.163 602 D CB -0.026 40.811 40.800 0.062 0.000 0.848 602 D HN 0.853 nan 8.370 nan 0.000 1.044 603 D N 0.018 120.251 120.400 -0.278 0.000 2.368 603 D HA -0.101 4.616 4.640 0.128 0.000 0.250 603 D C -0.130 175.950 176.300 -0.367 0.000 1.142 603 D CA 0.741 54.542 54.000 -0.332 0.000 0.925 603 D CB -0.623 39.945 40.800 -0.386 0.000 0.896 603 D HN 0.431 nan 8.370 nan 0.000 0.525 604 Y N 0.749 121.076 120.300 0.045 0.000 2.429 604 Y HA 0.264 4.891 4.550 0.128 0.000 0.342 604 Y C 0.687 176.621 175.900 0.057 0.000 1.004 604 Y CA -1.475 56.656 58.100 0.053 0.000 1.075 604 Y CB 1.316 39.802 38.460 0.042 0.000 1.214 604 Y HN -0.112 nan 8.280 nan 0.000 0.455 605 N N 3.627 122.467 118.700 0.233 0.000 2.446 605 N HA 0.300 5.117 4.740 0.128 0.000 0.265 605 N C -1.637 173.964 175.510 0.151 0.000 0.975 605 N CA -0.454 52.691 53.050 0.159 0.000 0.928 605 N CB 1.326 39.891 38.487 0.130 0.000 1.160 605 N HN 0.689 nan 8.380 nan 0.000 0.495 606 L N 2.347 123.646 121.223 0.126 0.000 2.261 606 L HA 0.403 4.820 4.340 0.128 0.000 0.289 606 L C -2.206 174.728 176.870 0.106 0.000 1.059 606 L CA -1.917 52.987 54.840 0.106 0.000 0.816 606 L CB 0.854 42.965 42.059 0.087 0.000 1.191 606 L HN 0.232 nan 8.230 nan 0.000 0.431 607 P HA 0.184 nan 4.420 nan 0.000 0.269 607 P C -0.703 176.674 177.300 0.128 0.000 1.215 607 P CA -0.205 62.975 63.100 0.134 0.000 0.780 607 P CB 0.669 32.457 31.700 0.146 0.000 0.898 608 M N -0.208 119.474 119.600 0.136 0.000 2.356 608 M HA 0.309 4.866 4.480 0.128 0.000 0.215 608 M C -1.067 175.264 176.300 0.051 0.000 0.978 608 M CA -0.761 54.594 55.300 0.091 0.000 0.972 608 M CB 1.468 34.106 32.600 0.063 0.000 2.529 608 M HN 0.197 nan 8.290 nan 0.000 0.447 609 Q N 2.878 122.685 119.800 0.011 0.000 2.293 609 Q HA 0.728 5.145 4.340 0.128 0.000 0.251 609 Q C -0.875 175.004 176.000 -0.200 0.000 0.930 609 Q CA -0.772 54.900 55.803 -0.218 0.000 0.893 609 Q CB 2.111 30.611 28.738 -0.396 0.000 1.215 609 Q HN 0.831 nan 8.270 nan 0.000 0.425 610 I N 2.102 122.515 120.570 -0.262 0.000 2.465 610 I HA 0.401 4.647 4.170 0.128 0.000 0.291 610 I C -1.813 174.135 176.117 -0.281 0.000 1.014 610 I CA -1.101 60.071 61.300 -0.214 0.000 1.093 610 I CB 1.487 39.392 38.000 -0.158 0.000 1.267 610 I HN 0.763 nan 8.210 nan 0.000 0.431 611 L N 7.350 128.419 121.223 -0.257 0.000 2.272 611 L HA 0.536 4.953 4.340 0.128 0.000 0.289 611 L C -0.064 176.617 176.870 -0.316 0.000 1.032 611 L CA -0.659 54.016 54.840 -0.275 0.000 0.810 611 L CB 0.925 42.840 42.059 -0.240 0.000 1.205 611 L HN 0.593 nan 8.230 nan 0.000 0.422 612 K N 4.505 124.676 120.400 -0.382 0.000 2.164 612 K HA 0.323 4.720 4.320 0.128 0.000 0.258 612 K C -1.613 174.797 176.600 -0.316 0.000 0.951 612 K CA -1.729 54.247 56.287 -0.519 0.000 0.844 612 K CB 1.796 33.773 32.500 -0.871 0.000 1.099 612 K HN 0.261 nan 8.250 nan 0.000 0.435 613 P HA -0.312 nan 4.420 nan 0.000 0.223 613 P C 0.409 177.701 177.300 -0.014 0.000 1.138 613 P CA 1.848 64.902 63.100 -0.076 0.000 0.787 613 P CB 0.016 31.733 31.700 0.028 0.000 0.752 614 A N -1.797 121.005 122.820 -0.030 0.000 4.152 614 A HA -0.216 4.181 4.320 0.128 0.000 0.256 614 A C 1.265 178.880 177.584 0.052 0.000 0.844 614 A CA 2.106 54.145 52.037 0.005 0.000 1.324 614 A CB -2.968 16.031 19.000 -0.002 0.000 1.032 614 A HN 0.456 nan 8.150 nan 0.000 0.773 615 T N -3.377 111.232 114.554 0.091 0.000 3.331 615 T HA 0.544 4.971 4.350 0.128 0.000 0.282 615 T C -0.097 174.692 174.700 0.148 0.000 1.010 615 T CA 0.401 62.558 62.100 0.094 0.000 0.928 615 T CB -0.463 68.452 68.868 0.078 0.000 1.154 615 T HN 1.243 nan 8.240 nan 0.000 0.516 616 F N 3.045 122.982 119.950 -0.022 0.000 2.543 616 F HA 0.440 5.044 4.527 0.128 0.000 0.375 616 F C 0.599 176.399 175.800 0.000 0.000 1.075 616 F CA 0.352 58.325 58.000 -0.044 0.000 1.225 616 F CB 0.530 39.378 39.000 -0.254 0.000 1.099 616 F HN 0.125 nan 8.300 nan 0.000 0.561 617 T N 4.153 118.366 114.554 -0.569 0.000 2.886 617 T HA 0.160 4.586 4.350 0.128 0.000 0.259 617 T C 0.236 174.363 174.700 -0.955 0.000 1.125 617 T CA -0.144 61.638 62.100 -0.531 0.000 0.988 617 T CB 0.587 69.328 68.868 -0.212 0.000 2.203 617 T HN 0.699 nan 8.240 nan 0.000 0.552 618 D N -1.297 118.839 120.400 -0.439 0.000 2.345 618 D HA 0.098 4.815 4.640 0.128 0.000 0.290 618 D C 1.512 177.786 176.300 -0.042 0.000 1.107 618 D CA 0.339 54.173 54.000 -0.277 0.000 0.836 618 D CB 0.290 40.992 40.800 -0.164 0.000 1.406 618 D HN 0.385 nan 8.370 nan 0.000 0.532 619 T N 0.239 114.765 114.554 -0.047 0.000 2.639 619 T HA -0.039 4.388 4.350 0.128 0.000 0.261 619 T C 1.346 176.102 174.700 0.094 0.000 1.053 619 T CA 1.626 63.739 62.100 0.022 0.000 1.158 619 T CB -0.861 67.996 68.868 -0.019 0.000 0.863 619 T HN 0.306 nan 8.240 nan 0.000 0.413 620 T N 1.294 115.848 114.554 -0.001 0.000 2.906 620 T HA 0.035 4.461 4.350 0.128 0.000 0.320 620 T C -0.501 174.215 174.700 0.028 0.000 1.088 620 T CA -0.289 61.768 62.100 -0.071 0.000 1.120 620 T CB 0.064 68.743 68.868 -0.314 0.000 1.000 620 T HN 0.297 nan 8.240 nan 0.000 0.550 621 H N 1.323 120.254 119.070 -0.231 0.000 2.476 621 H HA 0.500 5.133 4.556 0.128 0.000 0.328 621 H C -0.800 174.400 175.328 -0.213 0.000 1.073 621 H CA -0.697 55.294 56.048 -0.094 0.000 1.229 621 H CB 0.501 30.225 29.762 -0.063 0.000 1.432 621 H HN 0.638 nan 8.280 nan 0.000 0.477 622 Y N 3.303 123.658 120.300 0.093 0.000 2.496 622 Y HA 0.364 4.991 4.550 0.128 0.000 0.331 622 Y C -2.093 173.740 175.900 -0.112 0.000 1.140 622 Y CA -2.726 55.384 58.100 0.017 0.000 1.166 622 Y CB 1.067 39.578 38.460 0.086 0.000 1.249 622 Y HN 0.520 nan 8.280 nan 0.000 0.479 623 P HA 0.142 nan 4.420 nan 0.000 0.282 623 P C -1.073 176.048 177.300 -0.298 0.000 1.249 623 P CA -0.263 62.542 63.100 -0.492 0.000 0.806 623 P CB 1.747 32.629 31.700 -1.363 0.000 0.984 624 L N 3.983 125.098 121.223 -0.179 0.000 2.282 624 L HA 0.385 4.801 4.340 0.128 0.000 0.288 624 L C -0.693 176.266 176.870 0.149 0.000 1.033 624 L CA -0.990 53.842 54.840 -0.014 0.000 0.807 624 L CB 1.228 43.270 42.059 -0.027 0.000 1.209 624 L HN 0.296 nan 8.230 nan 0.000 0.423 625 L N 6.781 128.076 121.223 0.121 0.000 2.324 625 L HA 0.391 4.808 4.340 0.128 0.000 0.274 625 L C -0.829 176.071 176.870 0.051 0.000 1.012 625 L CA -0.092 54.803 54.840 0.092 0.000 0.859 625 L CB 1.304 43.367 42.059 0.007 0.000 1.224 625 L HN 0.536 nan 8.230 nan 0.000 0.429 626 L N 6.112 127.413 121.223 0.129 0.000 2.315 626 L HA 0.393 4.810 4.340 0.128 0.000 0.283 626 L C -0.952 176.003 176.870 0.143 0.000 1.089 626 L CA -0.331 54.597 54.840 0.147 0.000 0.833 626 L CB 1.052 43.267 42.059 0.259 0.000 1.170 626 L HN 0.409 nan 8.230 nan 0.000 0.442 627 V N 6.755 126.744 119.914 0.126 0.000 2.311 627 V HA 0.231 4.428 4.120 0.128 0.000 0.275 627 V C 0.037 176.242 176.094 0.186 0.000 1.022 627 V CA -0.370 62.059 62.300 0.214 0.000 0.830 627 V CB 1.612 33.530 31.823 0.158 0.000 1.012 627 V HN 0.565 nan 8.190 nan 0.000 0.452 628 V N 4.485 124.511 119.914 0.188 0.000 2.513 628 V HA 0.563 4.760 4.120 0.128 0.000 0.299 628 V C 0.113 176.295 176.094 0.147 0.000 1.035 628 V CA 0.100 62.483 62.300 0.140 0.000 0.889 628 V CB 2.116 33.995 31.823 0.093 0.000 0.988 628 V HN 0.925 nan 8.190 nan 0.000 0.440 629 D N 4.436 124.933 120.400 0.163 0.000 3.013 629 D HA 0.338 5.055 4.640 0.128 0.000 0.256 629 D C 1.324 177.770 176.300 0.244 0.000 1.573 629 D CA 1.387 55.502 54.000 0.190 0.000 1.197 629 D CB 0.253 41.166 40.800 0.188 0.000 1.041 629 D HN 1.364 nan 8.370 nan 0.000 0.304 630 G N 0.036 108.960 108.800 0.208 0.000 2.143 630 G HA2 -0.233 3.804 3.960 0.128 0.000 0.248 630 G HA3 -0.233 3.804 3.960 0.128 0.000 0.248 630 G C 0.156 175.144 174.900 0.147 0.000 0.991 630 G CA 0.681 45.909 45.100 0.213 0.000 0.689 630 G HN 0.529 nan 8.290 nan 0.000 0.522 631 T N 3.582 118.185 114.554 0.081 0.000 2.853 631 T HA 0.422 4.849 4.350 0.128 0.000 0.298 631 T C -1.604 172.929 174.700 -0.279 0.000 0.978 631 T CA -0.068 61.900 62.100 -0.221 0.000 1.152 631 T CB 1.393 70.277 68.868 0.026 0.000 0.914 631 T HN 0.280 nan 8.240 nan 0.000 0.539 632 P HA 0.108 nan 4.420 nan 0.000 0.261 632 P C 0.998 178.181 177.300 -0.195 0.000 1.183 632 P CA 0.598 63.433 63.100 -0.442 0.000 0.761 632 P CB 0.415 31.563 31.700 -0.920 0.000 0.785 633 G N 2.359 111.081 108.800 -0.130 0.000 2.279 633 G HA2 -0.255 3.782 3.960 0.128 0.000 0.223 633 G HA3 -0.255 3.782 3.960 0.128 0.000 0.223 633 G C 0.481 175.341 174.900 -0.067 0.000 1.015 633 G CA 0.306 45.338 45.100 -0.114 0.000 0.621 633 G HN 0.826 nan 8.290 nan 0.000 0.506 634 S N -0.338 115.376 115.700 0.022 0.000 2.633 634 S HA 0.610 5.157 4.470 0.128 0.000 0.257 634 S C 0.064 174.789 174.600 0.209 0.000 1.265 634 S CA 0.836 59.118 58.200 0.136 0.000 0.980 634 S CB 1.632 64.917 63.200 0.142 0.000 1.017 634 S HN 1.112 nan 8.310 nan 0.000 0.577 635 Q N -0.857 119.127 119.800 0.306 0.000 2.263 635 Q HA 0.420 4.836 4.340 0.128 0.000 0.262 635 Q C -0.832 175.299 176.000 0.219 0.000 0.984 635 Q CA -0.478 55.517 55.803 0.319 0.000 0.813 635 Q CB 1.716 30.751 28.738 0.495 0.000 1.299 635 Q HN 0.716 nan 8.270 nan 0.000 0.428 636 S N 1.760 117.565 115.700 0.175 0.000 2.503 636 S HA 0.143 4.690 4.470 0.128 0.000 0.215 636 S C 0.145 174.821 174.600 0.127 0.000 1.003 636 S CA 0.064 58.347 58.200 0.139 0.000 0.910 636 S CB 0.698 63.974 63.200 0.127 0.000 0.790 636 S HN 0.483 nan 8.310 nan 0.000 0.514 637 V N 2.485 122.491 119.914 0.153 0.000 2.294 637 V HA 0.803 5.000 4.120 0.128 0.000 0.272 637 V C -0.121 176.090 176.094 0.195 0.000 1.027 637 V CA -0.392 62.018 62.300 0.184 0.000 0.823 637 V CB 0.223 32.168 31.823 0.203 0.000 1.030 637 V HN 0.318 nan 8.190 nan 0.000 0.457 638 A N 3.383 126.322 122.820 0.199 0.000 2.587 638 A HA 0.720 5.117 4.320 0.128 0.000 0.293 638 A C -0.081 177.617 177.584 0.190 0.000 1.087 638 A CA -0.658 51.495 52.037 0.193 0.000 0.692 638 A CB 1.372 20.504 19.000 0.221 0.000 1.291 638 A HN 0.668 nan 8.150 nan 0.000 0.407 639 E N 0.867 121.186 120.200 0.199 0.000 2.303 639 E HA 0.077 4.504 4.350 0.128 0.000 0.211 639 E C -0.206 176.439 176.600 0.074 0.000 1.223 639 E CA 0.089 56.590 56.400 0.167 0.000 1.344 639 E CB -0.051 29.701 29.700 0.086 0.000 1.299 639 E HN 0.388 nan 8.360 nan 0.000 0.441 640 K N 0.413 120.735 120.400 -0.130 0.000 2.107 640 K HA 0.215 4.612 4.320 0.128 0.000 0.251 640 K C -0.387 176.179 176.600 -0.057 0.000 1.012 640 K CA -0.629 55.477 56.287 -0.301 0.000 0.920 640 K CB 0.695 32.857 32.500 -0.564 0.000 1.033 640 K HN 0.010 nan 8.250 nan 0.000 0.478 641 F N 2.264 122.122 119.950 -0.154 0.000 2.350 641 F HA 0.194 4.798 4.527 0.128 0.000 0.365 641 F C -0.463 175.292 175.800 -0.076 0.000 1.122 641 F CA -0.084 57.863 58.000 -0.089 0.000 1.139 641 F CB 0.419 39.378 39.000 -0.068 0.000 1.220 641 F HN 0.383 nan 8.300 nan 0.000 0.499 642 E N 4.324 124.152 120.200 -0.621 0.000 2.317 642 E HA 0.610 5.037 4.350 0.128 0.000 0.270 642 E C -1.505 174.727 176.600 -0.614 0.000 0.885 642 E CA -1.117 54.973 56.400 -0.517 0.000 0.760 642 E CB 2.855 32.391 29.700 -0.273 0.000 1.227 642 E HN 0.402 nan 8.360 nan 0.000 0.434 643 V N -0.037 119.606 119.914 -0.451 0.000 2.532 643 V HA 0.666 4.863 4.120 0.128 0.000 0.294 643 V C -0.332 175.602 176.094 -0.267 0.000 1.036 643 V CA -0.625 61.460 62.300 -0.360 0.000 0.876 643 V CB 0.772 32.421 31.823 -0.290 0.000 1.012 643 V HN 0.741 nan 8.190 nan 0.000 0.432 644 S N 3.256 118.761 115.700 -0.326 0.000 2.911 644 S HA 0.582 5.129 4.470 0.128 0.000 0.319 644 S C 0.390 174.724 174.600 -0.443 0.000 1.154 644 S CA -0.193 57.798 58.200 -0.349 0.000 0.857 644 S CB 1.093 64.091 63.200 -0.338 0.000 1.279 644 S HN 1.443 nan 8.310 nan 0.000 0.593 645 W N 0.990 121.865 121.300 -0.708 0.000 2.424 645 W HA 0.108 4.845 4.660 0.128 0.000 0.264 645 W C 1.111 177.460 176.519 -0.284 0.000 1.229 645 W CA 1.426 58.484 57.345 -0.477 0.000 1.208 645 W CB -0.646 28.454 29.460 -0.600 0.000 1.127 645 W HN 0.762 nan 8.180 nan 0.000 0.588 646 E N 0.517 119.843 120.200 -1.457 0.000 2.072 646 E HA -0.158 4.269 4.350 0.128 0.000 0.191 646 E C 2.120 178.396 176.600 -0.539 0.000 0.985 646 E CA 1.992 57.705 56.400 -1.145 0.000 0.801 646 E CB -0.530 28.501 29.700 -1.114 0.000 0.750 646 E HN 0.241 nan 8.360 nan 0.000 0.452 647 T N 1.078 115.364 114.554 -0.445 0.000 2.684 647 T HA -0.148 4.279 4.350 0.128 0.000 0.267 647 T C 2.136 176.734 174.700 -0.170 0.000 1.036 647 T CA 1.266 63.204 62.100 -0.270 0.000 1.148 647 T CB -0.255 68.466 68.868 -0.246 0.000 0.863 647 T HN -0.020 nan 8.240 nan 0.000 0.436 648 V N 1.616 121.444 119.914 -0.144 0.000 2.343 648 V HA -0.180 4.016 4.120 0.128 0.000 0.247 648 V C 2.610 178.761 176.094 0.095 0.000 1.051 648 V CA 1.371 63.664 62.300 -0.012 0.000 1.036 648 V CB -0.594 31.267 31.823 0.064 0.000 0.654 648 V HN 0.427 nan 8.190 nan 0.000 0.451 649 M N -0.455 119.179 119.600 0.056 0.000 2.159 649 M HA -0.114 4.443 4.480 0.128 0.000 0.263 649 M C 2.181 178.548 176.300 0.113 0.000 1.063 649 M CA 1.630 57.020 55.300 0.150 0.000 1.110 649 M CB -0.973 31.652 32.600 0.041 0.000 1.374 649 M HN 0.316 nan 8.290 nan 0.000 0.411 650 V N -1.198 118.709 119.914 -0.012 0.000 2.302 650 V HA -0.173 4.024 4.120 0.128 0.000 0.243 650 V C 2.494 178.590 176.094 0.004 0.000 1.036 650 V CA 1.826 64.111 62.300 -0.025 0.000 1.020 650 V CB -0.872 30.885 31.823 -0.109 0.000 0.657 650 V HN 0.455 nan 8.190 nan 0.000 0.453 651 S N 0.076 115.764 115.700 -0.020 0.000 2.343 651 S HA -0.181 4.366 4.470 0.128 0.000 0.212 651 S C 2.216 176.798 174.600 -0.030 0.000 1.033 651 S CA 2.080 60.269 58.200 -0.019 0.000 1.004 651 S CB -0.438 62.742 63.200 -0.032 0.000 0.977 651 S HN 0.532 nan 8.310 nan 0.000 0.427 652 S N 0.203 115.853 115.700 -0.083 0.000 2.423 652 S HA -0.001 4.546 4.470 0.128 0.000 0.231 652 S C 0.986 175.310 174.600 -0.459 0.000 1.014 652 S CA 0.764 58.802 58.200 -0.270 0.000 0.965 652 S CB -0.316 62.663 63.200 -0.370 0.000 0.785 652 S HN 0.630 nan 8.310 nan 0.000 0.495 653 H N -0.389 118.728 119.070 0.078 0.000 2.662 653 H HA 0.292 4.925 4.556 0.128 0.000 0.268 653 H C 1.035 176.441 175.328 0.129 0.000 1.152 653 H CA 0.114 56.228 56.048 0.109 0.000 1.072 653 H CB -0.042 29.805 29.762 0.142 0.000 1.660 653 H HN 0.362 nan 8.280 nan 0.000 0.584 654 G N 2.058 110.964 108.800 0.177 0.000 2.172 654 G HA2 -0.047 3.990 3.960 0.128 0.000 0.244 654 G HA3 -0.047 3.990 3.960 0.128 0.000 0.244 654 G C -0.093 174.974 174.900 0.279 0.000 0.743 654 G CA 0.571 45.804 45.100 0.222 0.000 1.146 654 G HN 0.655 nan 8.290 nan 0.000 0.327 655 A N 1.216 124.144 122.820 0.179 0.000 2.572 655 A HA 0.952 5.349 4.320 0.128 0.000 0.295 655 A C -0.019 177.564 177.584 -0.002 0.000 1.072 655 A CA -0.081 52.035 52.037 0.131 0.000 0.691 655 A CB 1.942 21.039 19.000 0.162 0.000 1.291 655 A HN 2.138 nan 8.150 nan 0.000 0.404 656 V N 0.516 120.401 119.914 -0.047 0.000 2.394 656 V HA 0.777 4.973 4.120 0.128 0.000 0.282 656 V C 0.188 176.231 176.094 -0.085 0.000 1.031 656 V CA -0.457 61.763 62.300 -0.134 0.000 0.881 656 V CB 0.584 32.302 31.823 -0.175 0.000 0.982 656 V HN 1.620 nan 8.190 nan 0.000 0.451 657 V N 3.638 123.480 119.914 -0.121 0.000 2.532 657 V HA 0.895 5.092 4.120 0.128 0.000 0.295 657 V C -0.206 175.829 176.094 -0.098 0.000 1.041 657 V CA -0.457 61.781 62.300 -0.103 0.000 0.926 657 V CB 1.494 33.220 31.823 -0.162 0.000 0.992 657 V HN 0.831 nan 8.190 nan 0.000 0.457 658 V N 4.333 124.218 119.914 -0.049 0.000 2.588 658 V HA 0.597 4.794 4.120 0.128 0.000 0.304 658 V C -0.104 175.990 176.094 0.001 0.000 1.042 658 V CA -0.707 61.574 62.300 -0.033 0.000 0.877 658 V CB 1.598 33.417 31.823 -0.006 0.000 0.996 658 V HN 1.029 nan 8.190 nan 0.000 0.425 659 K N 2.623 123.021 120.400 -0.004 0.000 2.318 659 K HA 0.844 5.241 4.320 0.128 0.000 0.249 659 K C -1.213 175.418 176.600 0.051 0.000 0.942 659 K CA -0.495 55.812 56.287 0.033 0.000 0.808 659 K CB 2.291 34.805 32.500 0.024 0.000 1.189 659 K HN 0.770 nan 8.250 nan 0.000 0.428 660 C N 1.365 120.710 119.300 0.074 0.000 2.985 660 C HA 0.416 4.952 4.460 0.128 0.000 0.332 660 C C -1.806 173.237 174.990 0.088 0.000 1.164 660 C CA -0.664 58.402 59.018 0.080 0.000 1.347 660 C CB 1.227 29.010 27.740 0.072 0.000 1.764 660 C HN 0.822 nan 8.230 nan 0.000 0.489 661 D N 3.517 123.972 120.400 0.092 0.000 2.472 661 D HA 0.445 5.162 4.640 0.128 0.000 0.234 661 D C 0.644 176.977 176.300 0.055 0.000 1.088 661 D CA 0.346 54.397 54.000 0.085 0.000 0.882 661 D CB 1.488 42.354 40.800 0.110 0.000 1.037 661 D HN 0.898 nan 8.370 nan 0.000 0.520 662 G N 1.353 110.175 108.800 0.035 0.000 2.489 662 G HA2 0.183 4.220 3.960 0.128 0.000 0.271 662 G HA3 0.183 4.220 3.960 0.128 0.000 0.271 662 G C 0.301 175.161 174.900 -0.066 0.000 1.427 662 G CA -0.715 44.386 45.100 -0.000 0.000 1.057 662 G HN 0.332 nan 8.290 nan 0.000 0.532 663 R N -0.378 120.046 120.500 -0.125 0.000 2.590 663 R HA 0.409 4.826 4.340 0.128 0.000 0.274 663 R C 0.798 177.012 176.300 -0.143 0.000 1.061 663 R CA 0.436 56.396 56.100 -0.232 0.000 1.081 663 R CB 0.255 30.367 30.300 -0.314 0.000 0.984 663 R HN 1.434 nan 8.270 nan 0.000 0.448 664 G N 1.215 109.921 108.800 -0.155 0.000 2.278 664 G HA2 -0.258 3.779 3.960 0.128 0.000 0.210 664 G HA3 -0.258 3.779 3.960 0.128 0.000 0.210 664 G C 0.035 174.864 174.900 -0.118 0.000 1.000 664 G CA 0.019 45.054 45.100 -0.108 0.000 0.635 664 G HN 0.599 nan 8.290 nan 0.000 0.495 665 S N 0.650 116.291 115.700 -0.098 0.000 2.580 665 S HA 0.518 5.065 4.470 0.128 0.000 0.266 665 S C 1.070 175.604 174.600 -0.111 0.000 1.354 665 S CA 0.409 58.578 58.200 -0.051 0.000 1.008 665 S CB 1.113 64.319 63.200 0.010 0.000 0.898 665 S HN 1.280 nan 8.310 nan 0.000 0.555 666 G N -0.680 108.055 108.800 -0.107 0.000 2.642 666 G HA2 0.559 4.596 3.960 0.128 0.000 0.291 666 G HA3 0.559 4.596 3.960 0.128 0.000 0.291 666 G C -0.668 174.124 174.900 -0.180 0.000 1.345 666 G CA -0.933 43.964 45.100 -0.339 0.000 1.043 666 G HN 0.623 nan 8.290 nan 0.000 0.528 667 F N -1.902 118.056 119.950 0.013 0.000 3.069 667 F HA -0.177 4.427 4.527 0.128 0.000 0.285 667 F C 1.095 176.939 175.800 0.073 0.000 0.827 667 F CA 1.151 59.183 58.000 0.053 0.000 1.108 667 F CB -1.791 37.260 39.000 0.084 0.000 1.252 667 F HN 0.433 nan 8.300 nan 0.000 0.483 668 Q N -0.239 119.589 119.800 0.047 0.000 2.275 668 Q HA 0.461 4.878 4.340 0.128 0.000 0.314 668 Q C 0.651 176.424 176.000 -0.377 0.000 0.851 668 Q CA 0.045 55.873 55.803 0.042 0.000 1.083 668 Q CB 1.191 29.999 28.738 0.117 0.000 1.341 668 Q HN 0.580 nan 8.270 nan 0.000 0.402 669 G N 0.297 108.594 108.800 -0.837 0.000 2.797 669 G HA2 -0.296 3.741 3.960 0.128 0.000 0.686 669 G HA3 -0.296 3.741 3.960 0.128 0.000 0.686 669 G C 0.643 175.136 174.900 -0.679 0.000 1.452 669 G CA -0.035 44.284 45.100 -1.300 0.000 0.986 669 G HN 0.212 nan 8.290 nan 0.000 0.595 670 T N 1.554 115.728 114.554 -0.633 0.000 2.594 670 T HA -0.305 4.122 4.350 0.128 0.000 0.266 670 T C 2.437 176.746 174.700 -0.652 0.000 1.070 670 T CA 2.326 64.002 62.100 -0.706 0.000 1.166 670 T CB -0.288 68.230 68.868 -0.584 0.000 0.862 670 T HN 0.801 nan 8.240 nan 0.000 0.436 671 K N 0.178 120.369 120.400 -0.349 0.000 2.034 671 K HA -0.191 4.206 4.320 0.128 0.000 0.214 671 K C 2.305 178.843 176.600 -0.104 0.000 1.051 671 K CA 1.777 57.995 56.287 -0.114 0.000 0.931 671 K CB -0.424 32.116 32.500 0.067 0.000 0.715 671 K HN 0.219 nan 8.250 nan 0.000 0.446 672 L N 1.271 122.400 121.223 -0.156 0.000 1.989 672 L HA -0.172 4.245 4.340 0.128 0.000 0.211 672 L C 2.226 178.879 176.870 -0.362 0.000 1.071 672 L CA 1.478 56.058 54.840 -0.433 0.000 0.749 672 L CB -0.783 41.079 42.059 -0.328 0.000 0.890 672 L HN 0.328 nan 8.230 nan 0.000 0.431 673 L N -0.224 120.787 121.223 -0.353 0.000 1.990 673 L HA -0.300 4.117 4.340 0.128 0.000 0.213 673 L C 2.371 179.160 176.870 -0.135 0.000 1.072 673 L CA 2.230 56.888 54.840 -0.304 0.000 0.755 673 L CB -1.027 40.737 42.059 -0.492 0.000 0.889 673 L HN 0.517 nan 8.230 nan 0.000 0.432 674 H N -1.796 117.067 119.070 -0.346 0.000 2.563 674 H HA -0.079 4.554 4.556 0.128 0.000 0.272 674 H C 1.699 176.983 175.328 -0.073 0.000 1.005 674 H CA 0.356 56.200 56.048 -0.339 0.000 1.171 674 H CB 0.279 29.758 29.762 -0.471 0.000 1.351 674 H HN 0.415 nan 8.280 nan 0.000 0.602 675 E N 1.027 121.235 120.200 0.014 0.000 2.267 675 E HA -0.128 4.299 4.350 0.128 0.000 0.197 675 E C 1.981 178.605 176.600 0.040 0.000 0.998 675 E CA 0.982 57.384 56.400 0.004 0.000 0.830 675 E CB 0.092 29.720 29.700 -0.120 0.000 0.751 675 E HN 0.486 nan 8.360 nan 0.000 0.491 676 V N -1.517 118.442 119.914 0.075 0.000 3.649 676 V HA 0.236 4.433 4.120 0.128 0.000 0.275 676 V C 0.991 177.133 176.094 0.081 0.000 1.281 676 V CA -0.117 62.210 62.300 0.045 0.000 1.143 676 V CB -0.572 31.228 31.823 -0.038 0.000 0.892 676 V HN -0.009 nan 8.190 nan 0.000 0.441 677 R N 2.228 122.864 120.500 0.226 0.000 2.494 677 R HA 0.027 4.443 4.340 0.128 0.000 0.291 677 R C 1.141 177.482 176.300 0.067 0.000 0.953 677 R CA 0.914 57.153 56.100 0.231 0.000 1.098 677 R CB -0.583 29.866 30.300 0.250 0.000 0.911 677 R HN 0.588 nan 8.270 nan 0.000 0.407 678 R N 2.404 122.901 120.500 -0.006 0.000 4.023 678 R HA -0.287 4.130 4.340 0.128 0.000 0.368 678 R C 0.025 176.305 176.300 -0.034 0.000 1.187 678 R CA 1.894 57.967 56.100 -0.044 0.000 1.089 678 R CB -1.151 29.150 30.300 0.002 0.000 1.574 678 R HN 0.727 nan 8.270 nan 0.000 0.564 679 R N 0.301 120.783 120.500 -0.031 0.000 2.600 679 R HA 0.172 4.589 4.340 0.128 0.000 0.392 679 R C -0.369 175.916 176.300 -0.026 0.000 1.032 679 R CA -0.745 55.352 56.100 -0.006 0.000 1.139 679 R CB 0.479 30.790 30.300 0.018 0.000 1.400 679 R HN -0.118 nan 8.270 nan 0.000 0.566 680 L N 1.288 122.453 121.223 -0.098 0.000 2.720 680 L HA -0.115 4.302 4.340 0.128 0.000 0.289 680 L C 1.412 178.327 176.870 0.075 0.000 1.232 680 L CA 2.019 56.803 54.840 -0.093 0.000 0.915 680 L CB 0.038 41.869 42.059 -0.380 0.000 1.184 680 L HN 0.654 nan 8.230 nan 0.000 0.491 681 G N 2.574 111.440 108.800 0.111 0.000 2.205 681 G HA2 -0.356 3.681 3.960 0.128 0.000 0.261 681 G HA3 -0.356 3.681 3.960 0.128 0.000 0.261 681 G C 0.663 175.260 174.900 -0.505 0.000 0.980 681 G CA 0.620 45.636 45.100 -0.140 0.000 0.632 681 G HN 0.686 nan 8.290 nan 0.000 0.533 682 L N 0.449 121.567 121.223 -0.175 0.000 2.116 682 L HA 0.468 4.885 4.340 0.128 0.000 0.200 682 L C 2.752 179.584 176.870 -0.063 0.000 1.084 682 L CA 1.983 56.769 54.840 -0.090 0.000 0.766 682 L CB -0.825 41.252 42.059 0.030 0.000 0.930 682 L HN 0.251 nan 8.230 nan 0.000 0.453 683 L N 0.521 121.727 121.223 -0.030 0.000 1.970 683 L HA -0.201 4.216 4.340 0.128 0.000 0.212 683 L C 2.657 179.514 176.870 -0.022 0.000 1.071 683 L CA 1.833 56.666 54.840 -0.011 0.000 0.751 683 L CB -1.324 40.730 42.059 -0.008 0.000 0.889 683 L HN 0.458 nan 8.230 nan 0.000 0.432 684 E N 1.196 121.374 120.200 -0.036 0.000 2.284 684 E HA -0.303 4.124 4.350 0.128 0.000 0.200 684 E C 1.711 178.291 176.600 -0.034 0.000 1.008 684 E CA 1.847 58.235 56.400 -0.019 0.000 0.829 684 E CB -0.427 29.285 29.700 0.019 0.000 0.744 684 E HN 0.714 nan 8.360 nan 0.000 0.491 685 E N 2.299 122.447 120.200 -0.087 0.000 2.072 685 E HA -0.149 4.278 4.350 0.128 0.000 0.190 685 E C 1.847 178.469 176.600 0.037 0.000 0.982 685 E CA 1.432 57.806 56.400 -0.044 0.000 0.803 685 E CB -0.082 29.587 29.700 -0.052 0.000 0.755 685 E HN 0.289 nan 8.360 nan 0.000 0.453 686 K N 0.273 120.694 120.400 0.034 0.000 2.001 686 K HA -0.089 4.308 4.320 0.128 0.000 0.208 686 K C 1.941 178.574 176.600 0.054 0.000 1.048 686 K CA 1.514 57.833 56.287 0.053 0.000 0.932 686 K CB -0.244 32.286 32.500 0.049 0.000 0.715 686 K HN 0.130 nan 8.250 nan 0.000 0.437 687 D N 0.770 121.196 120.400 0.042 0.000 2.133 687 D HA -0.163 4.554 4.640 0.128 0.000 0.195 687 D C 2.137 178.472 176.300 0.058 0.000 0.997 687 D CA 1.117 55.145 54.000 0.047 0.000 0.840 687 D CB -0.017 40.802 40.800 0.032 0.000 0.947 687 D HN 0.104 nan 8.370 nan 0.000 0.452 688 Q N -0.614 119.224 119.800 0.062 0.000 2.083 688 Q HA -0.002 4.415 4.340 0.128 0.000 0.198 688 Q C 2.115 178.181 176.000 0.110 0.000 0.969 688 Q CA 0.714 56.568 55.803 0.085 0.000 0.838 688 Q CB -0.255 28.533 28.738 0.084 0.000 0.900 688 Q HN 0.331 nan 8.270 nan 0.000 0.436 689 M N 0.548 120.217 119.600 0.114 0.000 2.213 689 M HA -0.147 4.410 4.480 0.128 0.000 0.263 689 M C 1.861 178.206 176.300 0.074 0.000 1.062 689 M CA 1.228 56.602 55.300 0.123 0.000 1.105 689 M CB -0.762 31.911 32.600 0.121 0.000 1.385 689 M HN 0.113 nan 8.290 nan 0.000 0.417 690 E N 0.346 120.585 120.200 0.064 0.000 2.106 690 E HA -0.023 4.404 4.350 0.128 0.000 0.192 690 E C 1.903 178.527 176.600 0.041 0.000 0.984 690 E CA 1.564 57.992 56.400 0.047 0.000 0.806 690 E CB -0.144 29.587 29.700 0.051 0.000 0.750 690 E HN 0.389 nan 8.360 nan 0.000 0.458 691 A N -0.234 122.617 122.820 0.051 0.000 2.014 691 A HA -0.062 4.335 4.320 0.128 0.000 0.218 691 A C 2.360 179.962 177.584 0.030 0.000 1.163 691 A CA 1.292 53.355 52.037 0.044 0.000 0.652 691 A CB -0.363 18.671 19.000 0.057 0.000 0.808 691 A HN 0.183 nan 8.150 nan 0.000 0.449 692 V N -0.426 119.510 119.914 0.038 0.000 2.323 692 V HA -0.179 4.018 4.120 0.128 0.000 0.244 692 V C 2.620 178.690 176.094 -0.040 0.000 1.041 692 V CA 2.090 64.393 62.300 0.005 0.000 1.025 692 V CB -0.752 31.079 31.823 0.014 0.000 0.656 692 V HN 0.438 nan 8.190 nan 0.000 0.451 693 R N 1.151 121.635 120.500 -0.026 0.000 2.082 693 R HA -0.156 4.261 4.340 0.128 0.000 0.234 693 R C 2.596 178.871 176.300 -0.040 0.000 1.136 693 R CA 2.218 58.295 56.100 -0.038 0.000 0.935 693 R CB -1.397 28.895 30.300 -0.014 0.000 0.842 693 R HN 0.721 nan 8.270 nan 0.000 0.430 694 T N -2.158 112.384 114.554 -0.021 0.000 2.897 694 T HA -0.188 4.239 4.350 0.128 0.000 0.271 694 T C 1.714 176.385 174.700 -0.049 0.000 1.084 694 T CA 1.532 63.619 62.100 -0.022 0.000 1.123 694 T CB -0.146 68.722 68.868 0.001 0.000 0.865 694 T HN 0.078 nan 8.240 nan 0.000 0.496 695 M N -0.277 119.287 119.600 -0.060 0.000 2.435 695 M HA 0.416 4.973 4.480 0.128 0.000 0.265 695 M C 1.598 177.803 176.300 -0.157 0.000 1.104 695 M CA 0.586 55.828 55.300 -0.097 0.000 1.140 695 M CB -0.354 32.207 32.600 -0.065 0.000 1.372 695 M HN 0.182 nan 8.290 nan 0.000 0.456 696 L N -0.028 121.119 121.223 -0.127 0.000 2.217 696 L HA -0.087 4.330 4.340 0.128 0.000 0.211 696 L C 1.970 178.753 176.870 -0.145 0.000 1.107 696 L CA 1.619 56.376 54.840 -0.139 0.000 0.783 696 L CB -0.659 41.331 42.059 -0.115 0.000 0.919 696 L HN 0.229 nan 8.230 nan 0.000 0.442 697 K N -0.444 119.883 120.400 -0.123 0.000 2.103 697 K HA -0.117 4.280 4.320 0.128 0.000 0.207 697 K C 0.572 177.079 176.600 -0.154 0.000 1.048 697 K CA 0.484 56.707 56.287 -0.105 0.000 0.930 697 K CB -0.186 32.274 32.500 -0.068 0.000 0.716 697 K HN 0.268 nan 8.250 nan 0.000 0.444 698 E N 0.929 120.977 120.200 -0.253 0.000 2.461 698 E HA -0.145 4.282 4.350 0.128 0.000 0.263 698 E C 0.767 177.130 176.600 -0.395 0.000 1.143 698 E CA 0.442 56.599 56.400 -0.405 0.000 0.994 698 E CB 0.460 29.595 29.700 -0.942 0.000 0.973 698 E HN 0.082 nan 8.360 nan 0.000 0.457 699 Q N 0.413 120.017 119.800 -0.326 0.000 2.352 699 Q HA -0.026 4.391 4.340 0.128 0.000 0.212 699 Q C 0.646 176.368 176.000 -0.462 0.000 0.888 699 Q CA 0.406 56.045 55.803 -0.272 0.000 0.934 699 Q CB 0.065 28.764 28.738 -0.066 0.000 1.093 699 Q HN 0.582 nan 8.270 nan 0.000 0.523 700 Y N -0.798 119.408 120.300 -0.156 0.000 2.547 700 Y HA 0.435 5.062 4.550 0.128 0.000 0.325 700 Y C 0.052 175.985 175.900 0.056 0.000 1.165 700 Y CA -0.816 57.277 58.100 -0.012 0.000 1.300 700 Y CB 0.037 38.704 38.460 0.345 0.000 1.126 700 Y HN -0.015 nan 8.280 nan 0.000 0.513 701 I N 2.519 122.919 120.570 -0.284 0.000 2.644 701 I HA 0.265 4.512 4.170 0.128 0.000 0.291 701 I C -1.929 174.101 176.117 -0.146 0.000 1.180 701 I CA -0.802 60.416 61.300 -0.137 0.000 1.040 701 I CB 2.311 40.193 38.000 -0.197 0.000 1.255 701 I HN 0.333 nan 8.210 nan 0.000 0.422 702 D N 7.257 127.653 120.400 -0.007 0.000 2.349 702 D HA 0.220 4.936 4.640 0.128 0.000 0.232 702 D C 0.818 177.114 176.300 -0.006 0.000 1.071 702 D CA -0.590 53.454 54.000 0.075 0.000 0.832 702 D CB 1.820 42.718 40.800 0.163 0.000 1.086 702 D HN 0.714 nan 8.370 nan 0.000 0.504 703 R N 2.253 122.741 120.500 -0.019 0.000 2.198 703 R HA -0.271 4.146 4.340 0.128 0.000 0.258 703 R C 1.368 177.648 176.300 -0.034 0.000 1.173 703 R CA 2.492 58.565 56.100 -0.046 0.000 0.991 703 R CB -0.592 29.685 30.300 -0.039 0.000 0.879 703 R HN 0.650 nan 8.270 nan 0.000 0.460 704 T N -1.829 112.719 114.554 -0.009 0.000 2.867 704 T HA -0.088 4.339 4.350 0.128 0.000 0.268 704 T C 1.090 175.809 174.700 0.031 0.000 1.057 704 T CA 0.853 62.958 62.100 0.008 0.000 1.136 704 T CB -0.118 68.756 68.868 0.010 0.000 0.874 704 T HN 0.318 nan 8.240 nan 0.000 0.466 705 R N 1.351 121.850 120.500 -0.002 0.000 3.050 705 R HA 0.545 4.962 4.340 0.128 0.000 0.275 705 R C -1.415 174.912 176.300 0.045 0.000 1.373 705 R CA -0.331 55.782 56.100 0.021 0.000 1.612 705 R CB 1.181 31.364 30.300 -0.195 0.000 1.218 705 R HN 0.199 nan 8.270 nan 0.000 0.621 706 V N 1.269 121.278 119.914 0.158 0.000 2.417 706 V HA 0.734 4.931 4.120 0.128 0.000 0.291 706 V C 0.052 176.395 176.094 0.416 0.000 1.024 706 V CA -0.777 61.615 62.300 0.154 0.000 0.861 706 V CB 1.535 33.266 31.823 -0.152 0.000 0.985 706 V HN 0.645 nan 8.190 nan 0.000 0.436 707 A N 3.998 127.123 122.820 0.508 0.000 2.479 707 A HA 0.968 5.365 4.320 0.128 0.000 0.296 707 A C -1.175 176.637 177.584 0.380 0.000 1.121 707 A CA -0.752 51.567 52.037 0.470 0.000 0.743 707 A CB 2.322 21.415 19.000 0.156 0.000 1.323 707 A HN 1.060 nan 8.150 nan 0.000 0.415 708 V N 0.827 120.912 119.914 0.286 0.000 2.925 708 V HA 0.871 5.068 4.120 0.128 0.000 0.311 708 V C -1.876 174.429 176.094 0.352 0.000 1.104 708 V CA -0.647 61.751 62.300 0.163 0.000 0.954 708 V CB 1.799 33.513 31.823 -0.181 0.000 1.022 708 V HN 1.280 nan 8.190 nan 0.000 0.427 709 F N 4.235 124.290 119.950 0.175 0.000 2.601 709 F HA 0.951 5.554 4.527 0.128 0.000 0.309 709 F C -0.172 175.750 175.800 0.204 0.000 1.089 709 F CA 0.313 58.506 58.000 0.322 0.000 0.940 709 F CB 2.338 41.640 39.000 0.504 0.000 1.273 709 F HN 0.885 nan 8.300 nan 0.000 0.450 710 G N 3.507 111.739 108.800 -0.946 0.000 2.732 710 G HA2 0.528 4.565 3.960 0.128 0.000 0.296 710 G HA3 0.528 4.565 3.960 0.128 0.000 0.296 710 G C -2.478 171.970 174.900 -0.754 0.000 1.448 710 G CA -1.159 43.607 45.100 -0.558 0.000 0.911 710 G HN 0.784 nan 8.290 nan 0.000 0.528 711 K N 0.834 121.038 120.400 -0.326 0.000 2.375 711 K HA 0.854 5.251 4.320 0.128 0.000 0.249 711 K C -0.004 176.555 176.600 -0.068 0.000 0.942 711 K CA -0.438 55.724 56.287 -0.209 0.000 0.806 711 K CB 2.446 34.919 32.500 -0.045 0.000 1.227 711 K HN 0.430 nan 8.250 nan 0.000 0.430 712 D N 0.143 120.488 120.400 -0.092 0.000 3.955 712 D HA -0.352 4.365 4.640 0.128 0.000 0.142 712 D C 0.676 176.921 176.300 -0.093 0.000 0.877 712 D CA 2.042 55.996 54.000 -0.076 0.000 1.100 712 D CB -1.299 39.526 40.800 0.042 0.000 0.533 712 D HN 0.791 nan 8.370 nan 0.000 0.546 713 Y N 1.474 121.711 120.300 -0.105 0.000 2.421 713 Y HA 0.059 4.686 4.550 0.128 0.000 0.292 713 Y C 2.229 178.171 175.900 0.071 0.000 1.136 713 Y CA 2.529 60.610 58.100 -0.031 0.000 1.255 713 Y CB -0.439 38.057 38.460 0.061 0.000 0.991 713 Y HN 0.338 nan 8.280 nan 0.000 0.552 714 G N -0.760 108.105 108.800 0.109 0.000 2.448 714 G HA2 -0.175 3.862 3.960 0.128 0.000 0.218 714 G HA3 -0.175 3.862 3.960 0.128 0.000 0.218 714 G C 1.832 176.670 174.900 -0.102 0.000 1.135 714 G CA 0.598 45.722 45.100 0.041 0.000 0.784 714 G HN 0.547 nan 8.290 nan 0.000 0.543 715 G N -0.173 108.537 108.800 -0.151 0.000 2.421 715 G HA2 -0.181 3.856 3.960 0.128 0.000 0.217 715 G HA3 -0.181 3.856 3.960 0.128 0.000 0.217 715 G C 1.511 176.336 174.900 -0.125 0.000 1.143 715 G CA 0.950 45.935 45.100 -0.191 0.000 0.784 715 G HN 0.466 nan 8.290 nan 0.000 0.541 716 Y N 1.116 121.241 120.300 -0.290 0.000 2.114 716 Y HA -0.056 4.571 4.550 0.128 0.000 0.284 716 Y C 2.531 178.316 175.900 -0.191 0.000 1.143 716 Y CA 1.443 59.366 58.100 -0.295 0.000 1.135 716 Y CB -0.223 37.927 38.460 -0.517 0.000 0.980 716 Y HN 0.078 nan 8.280 nan 0.000 0.499 717 L N -0.601 120.449 121.223 -0.288 0.000 2.046 717 L HA -0.233 4.184 4.340 0.128 0.000 0.208 717 L C 2.840 179.594 176.870 -0.192 0.000 1.077 717 L CA 1.567 56.242 54.840 -0.275 0.000 0.747 717 L CB -1.000 40.994 42.059 -0.108 0.000 0.896 717 L HN 0.297 nan 8.230 nan 0.000 0.432 718 S N -0.346 115.258 115.700 -0.159 0.000 2.359 718 S HA -0.265 4.282 4.470 0.128 0.000 0.223 718 S C 2.093 176.578 174.600 -0.192 0.000 1.039 718 S CA 2.398 60.506 58.200 -0.153 0.000 1.042 718 S CB -0.340 62.776 63.200 -0.141 0.000 0.915 718 S HN 0.622 nan 8.310 nan 0.000 0.439 719 T N -1.776 112.679 114.554 -0.164 0.000 3.085 719 T HA -0.020 4.407 4.350 0.128 0.000 0.263 719 T C 1.569 176.084 174.700 -0.309 0.000 1.127 719 T CA 0.855 62.799 62.100 -0.259 0.000 1.103 719 T CB -0.486 68.372 68.868 -0.016 0.000 0.921 719 T HN 0.542 nan 8.240 nan 0.000 0.510 720 Y N 1.678 121.732 120.300 -0.410 0.000 2.337 720 Y HA 0.407 5.034 4.550 0.128 0.000 0.293 720 Y C 1.322 177.053 175.900 -0.282 0.000 1.123 720 Y CA 0.087 57.952 58.100 -0.392 0.000 1.201 720 Y CB 0.044 38.177 38.460 -0.546 0.000 1.011 720 Y HN 0.276 nan 8.280 nan 0.000 0.545 721 I N 1.387 121.914 120.570 -0.072 0.000 3.585 721 I HA 0.042 4.289 4.170 0.128 0.000 0.325 721 I C -0.929 174.995 176.117 -0.322 0.000 1.370 721 I CA 0.100 61.323 61.300 -0.128 0.000 1.298 721 I CB -0.287 37.601 38.000 -0.187 0.000 1.387 721 I HN 0.002 nan 8.210 nan 0.000 0.466 722 L N 4.462 125.536 121.223 -0.249 0.000 2.599 722 L HA 0.500 4.917 4.340 0.128 0.000 0.241 722 L C -2.196 174.644 176.870 -0.051 0.000 1.207 722 L CA -1.136 53.577 54.840 -0.211 0.000 0.987 722 L CB 0.395 42.258 42.059 -0.327 0.000 1.318 722 L HN 0.095 nan 8.230 nan 0.000 0.458 723 P HA 0.739 nan 4.420 nan 0.000 0.340 723 P C -1.857 175.527 177.300 0.139 0.000 1.136 723 P CA -0.865 62.286 63.100 0.085 0.000 0.834 723 P CB 2.691 34.438 31.700 0.079 0.000 1.354 724 A N -0.083 122.791 122.820 0.090 0.000 2.385 724 A HA 0.575 4.972 4.320 0.128 0.000 0.290 724 A C -0.382 177.233 177.584 0.053 0.000 1.094 724 A CA -0.539 51.539 52.037 0.067 0.000 0.729 724 A CB 0.843 19.871 19.000 0.046 0.000 1.194 724 A HN 0.396 nan 8.150 nan 0.000 0.442 725 K N 2.297 122.723 120.400 0.044 0.000 2.382 725 K HA 0.553 4.950 4.320 0.128 0.000 0.275 725 K C 1.073 177.687 176.600 0.023 0.000 1.009 725 K CA 1.686 57.994 56.287 0.035 0.000 0.970 725 K CB 0.242 32.757 32.500 0.024 0.000 0.934 725 K HN 2.237 nan 8.250 nan 0.000 0.479 726 G N 2.766 111.580 108.800 0.025 0.000 2.531 726 G HA2 -0.332 3.705 3.960 0.128 0.000 0.274 726 G HA3 -0.332 3.705 3.960 0.128 0.000 0.274 726 G C 0.421 175.333 174.900 0.020 0.000 1.159 726 G CA 0.619 45.730 45.100 0.019 0.000 0.969 726 G HN 0.793 nan 8.290 nan 0.000 0.554 727 E N -1.765 118.445 120.200 0.016 0.000 2.926 727 E HA 0.019 4.446 4.350 0.128 0.000 0.232 727 E C 1.855 178.463 176.600 0.013 0.000 1.095 727 E CA 0.421 56.830 56.400 0.015 0.000 1.755 727 E CB -0.578 29.131 29.700 0.014 0.000 2.411 727 E HN 0.365 nan 8.360 nan 0.000 1.046 728 N N 0.947 119.654 118.700 0.011 0.000 2.270 728 N HA -0.122 4.695 4.740 0.128 0.000 0.181 728 N C 0.844 176.358 175.510 0.007 0.000 1.016 728 N CA 0.914 53.969 53.050 0.009 0.000 0.870 728 N CB 0.032 38.523 38.487 0.007 0.000 0.979 728 N HN 0.100 nan 8.380 nan 0.000 0.431 729 Q N 1.405 121.209 119.800 0.006 0.000 2.936 729 Q HA 0.318 4.735 4.340 0.128 0.000 0.383 729 Q C 0.020 176.023 176.000 0.005 0.000 1.167 729 Q CA -0.522 55.283 55.803 0.002 0.000 1.038 729 Q CB -0.167 28.569 28.738 -0.002 0.000 1.409 729 Q HN 0.178 nan 8.270 nan 0.000 0.448 730 G N 0.415 109.222 108.800 0.011 0.000 2.588 730 G HA2 0.318 4.355 3.960 0.128 0.000 0.278 730 G HA3 0.318 4.355 3.960 0.128 0.000 0.278 730 G C -0.840 174.073 174.900 0.021 0.000 1.307 730 G CA -0.620 44.491 45.100 0.019 0.000 1.016 730 G HN 0.586 nan 8.290 nan 0.000 0.503 731 Q N -1.500 118.324 119.800 0.039 0.000 2.436 731 Q HA -0.160 4.257 4.340 0.128 0.000 0.362 731 Q C 0.961 176.980 176.000 0.031 0.000 1.423 731 Q CA 0.840 56.676 55.803 0.055 0.000 1.014 731 Q CB -2.156 26.611 28.738 0.048 0.000 1.177 731 Q HN 0.493 nan 8.270 nan 0.000 0.324 732 T N -0.690 113.882 114.554 0.030 0.000 2.896 732 T HA 0.081 4.508 4.350 0.128 0.000 0.263 732 T C 0.329 174.854 174.700 -0.292 0.000 1.050 732 T CA 1.062 63.076 62.100 -0.145 0.000 1.140 732 T CB 0.039 68.789 68.868 -0.197 0.000 0.877 732 T HN 0.383 nan 8.240 nan 0.000 0.457 733 F N 0.544 120.527 119.950 0.056 0.000 2.507 733 F HA 0.413 5.017 4.527 0.129 0.000 0.327 733 F C 1.432 177.289 175.800 0.095 0.000 1.068 733 F CA -0.941 57.111 58.000 0.087 0.000 0.965 733 F CB 1.555 40.608 39.000 0.089 0.000 1.192 733 F HN -0.222 nan 8.300 nan 0.000 0.476 734 T N -0.480 114.267 114.554 0.322 0.000 3.021 734 T HA 0.104 4.531 4.350 0.128 0.000 0.245 734 T C -0.066 174.772 174.700 0.230 0.000 1.028 734 T CA 0.596 62.834 62.100 0.230 0.000 1.139 734 T CB -0.032 68.969 68.868 0.221 0.000 0.884 734 T HN 0.690 nan 8.240 nan 0.000 0.457 735 c N 0.192 118.970 118.600 0.297 0.000 3.170 735 c HA 0.932 5.579 4.570 0.128 0.000 0.319 735 c C 0.009 174.392 174.090 0.488 0.000 1.260 735 c CA -1.173 55.351 56.329 0.325 0.000 1.374 735 c CB 1.207 43.777 42.510 0.100 0.000 1.739 735 c HN 0.513 nan 8.230 nan 0.000 0.479 736 G N 0.129 109.255 108.800 0.543 0.000 2.694 736 G HA2 0.827 4.864 3.960 0.128 0.000 0.290 736 G HA3 0.827 4.864 3.960 0.128 0.000 0.290 736 G C -1.488 173.749 174.900 0.563 0.000 1.386 736 G CA -0.353 45.058 45.100 0.518 0.000 0.872 736 G HN 1.512 nan 8.290 nan 0.000 0.475 737 S N -1.432 114.545 115.700 0.462 0.000 2.536 737 S HA 0.788 5.335 4.470 0.128 0.000 0.271 737 S C -0.890 173.716 174.600 0.009 0.000 1.134 737 S CA 0.069 58.371 58.200 0.170 0.000 0.897 737 S CB 1.529 64.734 63.200 0.008 0.000 1.094 737 S HN 1.874 nan 8.310 nan 0.000 0.473 738 A N 3.010 125.761 122.820 -0.115 0.000 2.359 738 A HA 0.757 5.154 4.320 0.128 0.000 0.303 738 A C -1.412 176.014 177.584 -0.263 0.000 1.066 738 A CA -0.568 51.328 52.037 -0.235 0.000 0.730 738 A CB 1.310 20.272 19.000 -0.062 0.000 1.211 738 A HN 0.919 nan 8.150 nan 0.000 0.439 739 L N 2.337 123.361 121.223 -0.332 0.000 2.265 739 L HA 0.576 4.993 4.340 0.128 0.000 0.289 739 L C 0.426 177.141 176.870 -0.259 0.000 1.033 739 L CA 0.716 55.427 54.840 -0.214 0.000 0.814 739 L CB 0.672 42.649 42.059 -0.137 0.000 1.203 739 L HN 0.918 nan 8.230 nan 0.000 0.423 740 S N 4.549 120.012 115.700 -0.394 0.000 3.524 740 S HA -0.109 4.438 4.470 0.128 0.000 0.377 740 S C -2.371 171.981 174.600 -0.413 0.000 0.949 740 S CA 0.459 58.209 58.200 -0.751 0.000 1.264 740 S CB -1.581 61.362 63.200 -0.429 0.000 0.918 740 S HN 0.688 nan 8.310 nan 0.000 0.517 741 P HA 0.418 nan 4.420 nan 0.000 0.280 741 P C 0.020 177.145 177.300 -0.291 0.000 1.244 741 P CA -0.625 62.347 63.100 -0.214 0.000 0.784 741 P CB 0.755 32.390 31.700 -0.108 0.000 0.913 742 I N 2.602 122.895 120.570 -0.461 0.000 2.428 742 I HA 0.338 4.585 4.170 0.128 0.000 0.289 742 I C 0.684 176.607 176.117 -0.322 0.000 1.019 742 I CA 0.392 61.208 61.300 -0.808 0.000 1.351 742 I CB 1.027 38.306 38.000 -1.202 0.000 1.412 742 I HN 0.420 nan 8.210 nan 0.000 0.513 743 T N 0.939 115.491 114.554 -0.004 0.000 3.058 743 T HA 0.360 4.786 4.350 0.128 0.000 0.278 743 T C -0.113 174.586 174.700 -0.002 0.000 0.974 743 T CA -0.124 62.011 62.100 0.058 0.000 0.893 743 T CB -0.368 68.523 68.868 0.040 0.000 1.138 743 T HN 0.685 nan 8.240 nan 0.000 0.529 744 D N 0.042 120.392 120.400 -0.083 0.000 2.300 744 D HA 0.232 4.949 4.640 0.128 0.000 0.218 744 D C -0.284 175.996 176.300 -0.034 0.000 1.326 744 D CA -0.754 53.205 54.000 -0.069 0.000 0.942 744 D CB 0.117 40.867 40.800 -0.082 0.000 1.495 744 D HN 0.036 nan 8.370 nan 0.000 0.545 745 F N 1.818 121.874 119.950 0.177 0.000 2.605 745 F HA -0.000 4.604 4.527 0.128 0.000 0.296 745 F C 2.172 178.216 175.800 0.406 0.000 1.146 745 F CA 0.698 58.865 58.000 0.278 0.000 1.478 745 F CB 0.059 39.127 39.000 0.114 0.000 1.107 745 F HN 0.175 nan 8.300 nan 0.000 0.600 746 K N 0.047 120.697 120.400 0.416 0.000 2.243 746 K HA 0.078 4.475 4.320 0.128 0.000 0.201 746 K C 1.454 178.184 176.600 0.217 0.000 1.051 746 K CA 0.622 57.072 56.287 0.273 0.000 0.970 746 K CB 0.013 32.603 32.500 0.149 0.000 0.755 746 K HN 0.296 nan 8.250 nan 0.000 0.465 747 L N -0.113 121.208 121.223 0.163 0.000 2.628 747 L HA 0.177 4.594 4.340 0.128 0.000 0.229 747 L C 0.353 177.436 176.870 0.355 0.000 1.137 747 L CA -0.260 54.632 54.840 0.087 0.000 0.909 747 L CB -0.055 41.793 42.059 -0.352 0.000 1.137 747 L HN 0.137 nan 8.230 nan 0.000 0.470 748 Y N 0.543 121.015 120.300 0.286 0.000 2.488 748 Y HA 0.584 5.210 4.550 0.128 0.000 0.325 748 Y C 0.810 176.935 175.900 0.376 0.000 1.204 748 Y CA -1.371 56.910 58.100 0.302 0.000 1.229 748 Y CB 1.389 39.971 38.460 0.203 0.000 1.274 748 Y HN -0.017 nan 8.280 nan 0.000 0.493 749 A N 2.221 124.993 122.820 -0.080 0.000 2.580 749 A HA 0.008 4.405 4.320 0.128 0.000 0.244 749 A C 1.240 178.820 177.584 -0.006 0.000 1.045 749 A CA 0.544 52.487 52.037 -0.156 0.000 0.761 749 A CB -0.293 18.522 19.000 -0.309 0.000 0.962 749 A HN 1.001 nan 8.150 nan 0.000 0.512 750 S N 3.744 119.486 115.700 0.069 0.000 2.377 750 S HA -0.280 4.266 4.470 0.128 0.000 0.224 750 S C 2.076 176.723 174.600 0.079 0.000 1.042 750 S CA 1.845 60.121 58.200 0.126 0.000 1.086 750 S CB -1.142 62.139 63.200 0.134 0.000 0.995 750 S HN 1.827 nan 8.310 nan 0.000 0.428 751 A N 0.685 123.505 122.820 -0.000 0.000 2.042 751 A HA -0.072 4.325 4.320 0.128 0.000 0.222 751 A C 1.965 179.445 177.584 -0.172 0.000 1.167 751 A CA 1.931 53.889 52.037 -0.131 0.000 0.649 751 A CB -0.984 17.794 19.000 -0.370 0.000 0.809 751 A HN 0.663 nan 8.150 nan 0.000 0.457 752 F N 0.322 120.125 119.950 -0.245 0.000 2.164 752 F HA 0.001 4.605 4.527 0.128 0.000 0.287 752 F C 2.635 178.354 175.800 -0.136 0.000 1.086 752 F CA 1.604 59.483 58.000 -0.201 0.000 1.249 752 F CB -0.430 38.483 39.000 -0.145 0.000 1.059 752 F HN 0.174 nan 8.300 nan 0.000 0.490 753 S N 0.644 116.554 115.700 0.351 0.000 2.351 753 S HA -0.249 4.298 4.470 0.128 0.000 0.220 753 S C 1.774 176.334 174.600 -0.066 0.000 1.035 753 S CA 1.869 60.224 58.200 0.259 0.000 1.031 753 S CB -0.696 62.801 63.200 0.495 0.000 0.928 753 S HN 0.483 nan 8.310 nan 0.000 0.433 754 E N 0.739 120.960 120.200 0.035 0.000 2.209 754 E HA -0.210 4.217 4.350 0.128 0.000 0.196 754 E C 2.221 178.690 176.600 -0.218 0.000 0.993 754 E CA 0.830 57.238 56.400 0.013 0.000 0.819 754 E CB -0.186 29.568 29.700 0.090 0.000 0.745 754 E HN 0.398 nan 8.360 nan 0.000 0.477 755 R N 0.209 120.406 120.500 -0.504 0.000 2.096 755 R HA -0.168 4.249 4.340 0.128 0.000 0.235 755 R C 1.344 176.983 176.300 -1.102 0.000 1.127 755 R CA 1.472 57.048 56.100 -0.873 0.000 0.968 755 R CB 0.012 29.487 30.300 -1.374 0.000 0.861 755 R HN 0.208 nan 8.270 nan 0.000 0.440 756 Y N -0.990 118.890 120.300 -0.700 0.000 2.507 756 Y HA 0.217 4.844 4.550 0.128 0.000 0.263 756 Y C 1.386 177.036 175.900 -0.417 0.000 1.093 756 Y CA 0.105 57.773 58.100 -0.720 0.000 1.285 756 Y CB 0.475 38.411 38.460 -0.873 0.000 1.115 756 Y HN -0.045 nan 8.280 nan 0.000 0.533 757 L N -0.801 120.249 121.223 -0.288 0.000 2.766 757 L HA 0.508 4.925 4.340 0.128 0.000 0.242 757 L C 0.779 177.610 176.870 -0.066 0.000 1.136 757 L CA 0.176 54.855 54.840 -0.269 0.000 0.933 757 L CB -0.058 41.595 42.059 -0.677 0.000 1.241 757 L HN 0.254 nan 8.230 nan 0.000 0.522 758 G N 0.995 109.777 108.800 -0.030 0.000 2.814 758 G HA2 -0.196 3.841 3.960 0.128 0.000 0.677 758 G HA3 -0.196 3.841 3.960 0.128 0.000 0.677 758 G C -0.633 174.371 174.900 0.173 0.000 1.429 758 G CA -0.981 44.157 45.100 0.063 0.000 0.868 758 G HN -0.035 nan 8.290 nan 0.000 0.553 759 L N 0.789 122.097 121.223 0.141 0.000 2.483 759 L HA 0.408 4.825 4.340 0.128 0.000 0.275 759 L C 1.508 178.511 176.870 0.221 0.000 1.220 759 L CA 0.301 55.237 54.840 0.160 0.000 0.833 759 L CB 0.457 42.569 42.059 0.088 0.000 1.102 759 L HN 0.830 nan 8.230 nan 0.000 0.490 760 H N 0.786 119.860 119.070 0.008 0.000 3.676 760 H HA 0.402 5.034 4.556 0.128 0.000 0.169 760 H C 1.338 176.609 175.328 -0.094 0.000 1.513 760 H CA 0.110 56.054 56.048 -0.174 0.000 1.693 760 H CB -0.279 29.224 29.762 -0.432 0.000 1.222 760 H HN 0.567 nan 8.280 nan 0.000 0.628 761 G N 0.516 109.116 108.800 -0.333 0.000 4.230 761 G HA2 -0.372 3.665 3.960 0.128 0.000 0.340 761 G HA3 -0.372 3.665 3.960 0.128 0.000 0.340 761 G C 0.952 175.705 174.900 -0.244 0.000 1.315 761 G CA 0.915 45.840 45.100 -0.292 0.000 1.033 761 G HN 0.647 nan 8.290 nan 0.000 0.741 762 L N 2.502 123.668 121.223 -0.096 0.000 2.798 762 L HA 0.359 4.776 4.340 0.128 0.000 0.254 762 L C 0.581 177.450 176.870 -0.003 0.000 1.176 762 L CA 0.934 55.747 54.840 -0.044 0.000 0.991 762 L CB -1.247 40.808 42.059 -0.007 0.000 1.225 762 L HN 0.579 nan 8.230 nan 0.000 0.420 763 D N 0.190 120.574 120.400 -0.026 0.000 3.845 763 D HA -0.294 4.423 4.640 0.128 0.000 0.227 763 D C 0.999 177.420 176.300 0.200 0.000 1.092 763 D CA 0.500 54.585 54.000 0.141 0.000 1.148 763 D CB -0.453 40.401 40.800 0.091 0.000 0.803 763 D HN 0.456 nan 8.370 nan 0.000 0.395 764 N N 2.470 121.345 118.700 0.292 0.000 2.609 764 N HA -0.181 4.636 4.740 0.128 0.000 0.190 764 N C 0.786 176.447 175.510 0.252 0.000 1.157 764 N CA 1.051 54.258 53.050 0.261 0.000 0.918 764 N CB -0.070 38.628 38.487 0.351 0.000 0.978 764 N HN 0.648 nan 8.380 nan 0.000 0.448 765 R N -1.181 119.482 120.500 0.271 0.000 3.266 765 R HA -0.251 4.166 4.340 0.128 0.000 0.245 765 R C 0.041 176.464 176.300 0.206 0.000 0.941 765 R CA 1.276 57.512 56.100 0.227 0.000 0.638 765 R CB -2.243 28.150 30.300 0.154 0.000 1.019 765 R HN 0.119 nan 8.270 nan 0.000 0.462 766 A N -0.691 122.276 122.820 0.246 0.000 2.226 766 A HA 0.281 4.678 4.320 0.128 0.000 0.207 766 A C 0.951 178.575 177.584 0.067 0.000 1.293 766 A CA 0.056 52.150 52.037 0.095 0.000 0.968 766 A CB -0.009 18.979 19.000 -0.019 0.000 1.044 766 A HN 0.385 nan 8.150 nan 0.000 0.493 767 Y N 0.475 120.804 120.300 0.049 0.000 2.583 767 Y HA 0.056 4.682 4.550 0.128 0.000 0.293 767 Y C 2.292 178.274 175.900 0.136 0.000 1.157 767 Y CA 0.977 59.120 58.100 0.071 0.000 1.315 767 Y CB 0.225 38.625 38.460 -0.100 0.000 1.021 767 Y HN 0.281 nan 8.280 nan 0.000 0.536 768 E N -0.317 120.059 120.200 0.294 0.000 2.099 768 E HA -0.000 4.426 4.350 0.128 0.000 0.191 768 E C 1.912 178.748 176.600 0.393 0.000 0.962 768 E CA 0.696 57.273 56.400 0.294 0.000 0.826 768 E CB -0.041 29.807 29.700 0.246 0.000 0.788 768 E HN 0.455 nan 8.360 nan 0.000 0.461 769 M N 0.538 120.326 119.600 0.314 0.000 2.394 769 M HA -0.065 4.492 4.480 0.128 0.000 0.264 769 M C 2.078 178.609 176.300 0.385 0.000 1.073 769 M CA 1.450 56.957 55.300 0.344 0.000 1.111 769 M CB -0.204 32.516 32.600 0.199 0.000 1.401 769 M HN 0.027 nan 8.290 nan 0.000 0.448 770 T N -2.076 112.670 114.554 0.320 0.000 3.055 770 T HA 0.046 4.473 4.350 0.128 0.000 0.265 770 T C 0.705 175.705 174.700 0.500 0.000 1.111 770 T CA 0.067 62.415 62.100 0.413 0.000 1.118 770 T CB -0.292 68.741 68.868 0.276 0.000 0.909 770 T HN 0.239 nan 8.240 nan 0.000 0.501 771 K N 1.331 121.890 120.400 0.265 0.000 2.504 771 K HA 0.106 4.503 4.320 0.128 0.000 0.278 771 K C 0.986 177.550 176.600 -0.059 0.000 1.025 771 K CA -0.176 56.140 56.287 0.048 0.000 1.093 771 K CB 0.940 33.300 32.500 -0.232 0.000 0.873 771 K HN -0.038 nan 8.250 nan 0.000 0.483 772 V N 3.869 123.814 119.914 0.051 0.000 3.078 772 V HA -0.211 3.986 4.120 0.128 0.000 0.265 772 V C 1.912 177.858 176.094 -0.247 0.000 1.122 772 V CA 2.106 64.326 62.300 -0.134 0.000 1.141 772 V CB -0.479 31.276 31.823 -0.112 0.000 0.735 772 V HN 0.936 nan 8.190 nan 0.000 0.498 773 A N -0.580 122.087 122.820 -0.255 0.000 1.917 773 A HA -0.282 4.114 4.320 0.128 0.000 0.219 773 A C 1.973 179.460 177.584 -0.161 0.000 1.182 773 A CA 2.096 54.002 52.037 -0.219 0.000 0.633 773 A CB -0.824 18.044 19.000 -0.220 0.000 0.819 773 A HN 0.741 nan 8.150 nan 0.000 0.448 774 H N -0.338 118.680 119.070 -0.087 0.000 2.422 774 H HA -0.058 4.576 4.556 0.128 0.000 0.298 774 H C 2.164 177.394 175.328 -0.163 0.000 1.098 774 H CA 1.538 57.529 56.048 -0.095 0.000 1.315 774 H CB -0.201 29.525 29.762 -0.061 0.000 1.382 774 H HN 0.394 nan 8.280 nan 0.000 0.523 775 R N 0.713 121.100 120.500 -0.188 0.000 2.080 775 R HA -0.029 4.388 4.340 0.128 0.000 0.222 775 R C 2.499 178.672 176.300 -0.212 0.000 1.107 775 R CA 1.093 57.016 56.100 -0.294 0.000 0.980 775 R CB -0.962 28.954 30.300 -0.640 0.000 0.879 775 R HN 0.390 nan 8.270 nan 0.000 0.439 776 V N -0.586 119.210 119.914 -0.197 0.000 2.828 776 V HA -0.161 4.036 4.120 0.128 0.000 0.260 776 V C 1.910 177.952 176.094 -0.088 0.000 1.101 776 V CA 1.859 64.068 62.300 -0.151 0.000 1.123 776 V CB -0.673 31.082 31.823 -0.113 0.000 0.704 776 V HN 0.043 nan 8.190 nan 0.000 0.493 777 S N 1.074 116.734 115.700 -0.066 0.000 2.387 777 S HA -0.148 4.399 4.470 0.128 0.000 0.230 777 S C 2.109 176.691 174.600 -0.031 0.000 1.035 777 S CA 1.774 59.955 58.200 -0.033 0.000 1.014 777 S CB -0.661 62.530 63.200 -0.016 0.000 0.836 777 S HN 1.030 nan 8.310 nan 0.000 0.466 778 A N 1.548 124.339 122.820 -0.047 0.000 2.010 778 A HA 0.256 4.653 4.320 0.128 0.000 0.204 778 A C 0.695 178.262 177.584 -0.028 0.000 1.364 778 A CA 0.348 52.365 52.037 -0.033 0.000 0.622 778 A CB -1.134 17.841 19.000 -0.041 0.000 0.983 778 A HN 0.435 nan 8.150 nan 0.000 0.491 779 L N -0.246 120.950 121.223 -0.045 0.000 3.538 779 L HA -0.261 4.156 4.340 0.128 0.000 0.534 779 L C 0.723 177.596 176.870 0.004 0.000 1.001 779 L CA 0.630 55.449 54.840 -0.035 0.000 1.156 779 L CB -0.746 41.280 42.059 -0.055 0.000 0.908 779 L HN 0.755 nan 8.230 nan 0.000 0.673 780 E N 1.657 121.869 120.200 0.020 0.000 2.357 780 E HA -0.030 4.397 4.350 0.128 0.000 0.202 780 E C 0.891 177.517 176.600 0.044 0.000 0.855 780 E CA 0.841 57.259 56.400 0.030 0.000 1.048 780 E CB 0.348 30.065 29.700 0.028 0.000 1.037 780 E HN 0.801 nan 8.360 nan 0.000 0.499 781 E N -0.004 120.228 120.200 0.053 0.000 2.641 781 E HA 0.123 4.550 4.350 0.128 0.000 0.224 781 E C -0.390 176.261 176.600 0.084 0.000 0.951 781 E CA -0.118 56.320 56.400 0.063 0.000 1.102 781 E CB 0.114 29.849 29.700 0.057 0.000 1.091 781 E HN -0.021 nan 8.360 nan 0.000 0.507 782 Q N 1.290 121.146 119.800 0.093 0.000 2.373 782 Q HA 0.270 4.686 4.340 0.128 0.000 0.255 782 Q C -0.347 175.752 176.000 0.164 0.000 0.980 782 Q CA 0.217 56.096 55.803 0.127 0.000 0.882 782 Q CB 0.669 29.474 28.738 0.113 0.000 1.249 782 Q HN 0.149 nan 8.270 nan 0.000 0.438 783 Q N 1.253 121.183 119.800 0.217 0.000 2.279 783 Q HA 0.344 4.761 4.340 0.128 0.000 0.256 783 Q C -1.214 175.071 176.000 0.475 0.000 0.937 783 Q CA -0.236 55.749 55.803 0.302 0.000 0.933 783 Q CB 0.766 29.669 28.738 0.275 0.000 1.189 783 Q HN 0.430 nan 8.270 nan 0.000 0.417 784 F N 4.455 124.512 119.950 0.179 0.000 2.403 784 F HA 0.342 4.946 4.527 0.129 0.000 0.355 784 F C -1.321 174.439 175.800 -0.066 0.000 1.119 784 F CA -1.545 56.506 58.000 0.085 0.000 1.007 784 F CB 0.893 39.940 39.000 0.077 0.000 1.194 784 F HN 0.357 nan 8.300 nan 0.000 0.443 785 L N 8.457 129.484 121.223 -0.325 0.000 2.294 785 L HA 0.531 4.948 4.340 0.128 0.000 0.283 785 L C -1.196 175.287 176.870 -0.645 0.000 1.015 785 L CA -0.340 54.073 54.840 -0.711 0.000 0.831 785 L CB 1.051 42.200 42.059 -1.517 0.000 1.217 785 L HN 0.529 nan 8.230 nan 0.000 0.420 786 I N 6.184 126.414 120.570 -0.567 0.000 2.336 786 I HA 0.374 4.621 4.170 0.128 0.000 0.292 786 I C -0.098 175.902 176.117 -0.195 0.000 0.991 786 I CA -0.426 60.618 61.300 -0.426 0.000 1.227 786 I CB 1.763 39.512 38.000 -0.418 0.000 1.366 786 I HN 0.483 nan 8.210 nan 0.000 0.466 787 I N 5.979 126.482 120.570 -0.111 0.000 2.378 787 I HA 0.393 4.640 4.170 0.128 0.000 0.291 787 I C -0.626 175.583 176.117 0.154 0.000 0.992 787 I CA -0.500 60.818 61.300 0.030 0.000 1.154 787 I CB 1.465 39.497 38.000 0.052 0.000 1.315 787 I HN 0.599 nan 8.210 nan 0.000 0.448 788 H N 6.615 125.791 119.070 0.177 0.000 3.083 788 H HA 0.300 4.933 4.556 0.128 0.000 0.339 788 H C -2.735 172.734 175.328 0.234 0.000 1.020 788 H CA -1.556 54.634 56.048 0.238 0.000 1.360 788 H CB 2.665 32.609 29.762 0.303 0.000 1.811 788 H HN 0.286 nan 8.280 nan 0.000 0.493 789 P HA -0.005 nan 4.420 nan 0.000 0.276 789 P C 0.518 177.926 177.300 0.180 0.000 1.243 789 P CA -0.074 63.172 63.100 0.243 0.000 0.768 789 P CB 1.846 33.530 31.700 -0.026 0.000 0.856 790 T N 2.781 117.297 114.554 -0.063 0.000 2.720 790 T HA -0.136 4.291 4.350 0.128 0.000 0.268 790 T C 1.390 176.057 174.700 -0.055 0.000 1.037 790 T CA 2.006 63.958 62.100 -0.248 0.000 1.144 790 T CB -0.294 68.387 68.868 -0.312 0.000 0.864 790 T HN 0.547 nan 8.240 nan 0.000 0.444 791 A N 1.428 124.250 122.820 0.003 0.000 2.797 791 A HA 0.230 4.626 4.320 0.128 0.000 0.287 791 A C 0.241 177.879 177.584 0.090 0.000 1.369 791 A CA -0.442 51.615 52.037 0.032 0.000 0.968 791 A CB -0.221 18.778 19.000 -0.002 0.000 1.069 791 A HN 0.288 nan 8.150 nan 0.000 0.571 792 D N 1.490 121.998 120.400 0.179 0.000 2.412 792 D HA -0.043 4.674 4.640 0.128 0.000 0.257 792 D C 1.053 177.512 176.300 0.264 0.000 1.217 792 D CA 0.215 54.374 54.000 0.266 0.000 0.897 792 D CB 0.859 41.915 40.800 0.428 0.000 1.132 792 D HN 0.594 nan 8.370 nan 0.000 0.493 793 E N 4.298 124.631 120.200 0.221 0.000 2.385 793 E HA -0.106 4.321 4.350 0.128 0.000 0.194 793 E C 1.136 177.804 176.600 0.112 0.000 1.013 793 E CA 0.408 56.907 56.400 0.165 0.000 0.866 793 E CB 0.148 29.878 29.700 0.050 0.000 0.832 793 E HN 0.487 nan 8.360 nan 0.000 0.500 794 K N 0.753 121.239 120.400 0.142 0.000 2.108 794 K HA 0.178 4.575 4.320 0.128 0.000 0.204 794 K C 0.642 177.252 176.600 0.018 0.000 1.036 794 K CA 0.441 56.829 56.287 0.169 0.000 0.965 794 K CB 0.371 32.775 32.500 -0.161 0.000 0.804 794 K HN 0.028 nan 8.250 nan 0.000 0.454 795 I N 2.700 123.207 120.570 -0.106 0.000 2.460 795 I HA 0.174 4.421 4.170 0.128 0.000 0.277 795 I C -0.895 175.275 176.117 0.089 0.000 1.057 795 I CA -0.780 60.405 61.300 -0.192 0.000 1.179 795 I CB 1.048 38.843 38.000 -0.343 0.000 1.329 795 I HN 0.239 nan 8.210 nan 0.000 0.478 796 H N 3.989 123.133 119.070 0.124 0.000 3.115 796 H HA -0.141 4.491 4.556 0.128 0.000 0.324 796 H C 0.835 176.269 175.328 0.178 0.000 1.007 796 H CA -0.056 56.071 56.048 0.131 0.000 1.385 796 H CB 0.867 30.613 29.762 -0.027 0.000 1.351 796 H HN 0.587 nan 8.280 nan 0.000 0.592 797 F N 2.393 122.333 119.950 -0.017 0.000 2.307 797 F HA -0.251 4.353 4.527 0.129 0.000 0.301 797 F C 2.381 178.049 175.800 -0.219 0.000 1.076 797 F CA 1.453 59.166 58.000 -0.478 0.000 1.383 797 F CB -0.292 38.505 39.000 -0.340 0.000 1.055 797 F HN 0.644 nan 8.300 nan 0.000 0.526 798 Q N -0.500 119.249 119.800 -0.086 0.000 2.173 798 Q HA -0.282 4.135 4.340 0.128 0.000 0.208 798 Q C 2.172 177.997 176.000 -0.292 0.000 0.989 798 Q CA 2.109 57.795 55.803 -0.195 0.000 0.872 798 Q CB -0.409 28.259 28.738 -0.116 0.000 0.909 798 Q HN 0.582 nan 8.270 nan 0.000 0.420 799 H N -0.890 118.053 119.070 -0.212 0.000 2.270 799 H HA -0.096 4.537 4.556 0.128 0.000 0.299 799 H C 2.178 177.336 175.328 -0.282 0.000 1.077 799 H CA 1.915 57.844 56.048 -0.197 0.000 1.294 799 H CB -0.327 29.354 29.762 -0.135 0.000 1.371 799 H HN 0.321 nan 8.280 nan 0.000 0.491 800 T N 1.010 115.424 114.554 -0.234 0.000 2.737 800 T HA -0.164 4.263 4.350 0.128 0.000 0.269 800 T C 2.229 176.599 174.700 -0.551 0.000 1.040 800 T CA 1.149 63.025 62.100 -0.374 0.000 1.142 800 T CB -0.397 68.219 68.868 -0.420 0.000 0.861 800 T HN 0.452 nan 8.240 nan 0.000 0.456 801 A N 1.231 123.593 122.820 -0.763 0.000 1.858 801 A HA -0.109 4.288 4.320 0.128 0.000 0.216 801 A C 2.213 179.596 177.584 -0.334 0.000 1.190 801 A CA 1.904 53.602 52.037 -0.565 0.000 0.617 801 A CB -0.672 18.025 19.000 -0.504 0.000 0.827 801 A HN 0.421 nan 8.150 nan 0.000 0.443 802 E N -0.453 119.575 120.200 -0.287 0.000 2.085 802 E HA -0.180 4.247 4.350 0.128 0.000 0.194 802 E C 1.810 178.296 176.600 -0.190 0.000 0.994 802 E CA 1.239 57.514 56.400 -0.208 0.000 0.801 802 E CB -0.375 29.205 29.700 -0.201 0.000 0.743 802 E HN 0.447 nan 8.360 nan 0.000 0.453 803 L N 0.294 121.398 121.223 -0.198 0.000 2.017 803 L HA -0.105 4.312 4.340 0.128 0.000 0.208 803 L C 2.124 178.860 176.870 -0.222 0.000 1.073 803 L CA 1.680 56.420 54.840 -0.166 0.000 0.745 803 L CB -0.453 41.530 42.059 -0.126 0.000 0.894 803 L HN 0.241 nan 8.230 nan 0.000 0.432 804 I N -1.124 119.252 120.570 -0.324 0.000 2.286 804 I HA -0.312 3.935 4.170 0.128 0.000 0.248 804 I C 2.238 178.155 176.117 -0.333 0.000 1.115 804 I CA 1.573 62.583 61.300 -0.484 0.000 1.392 804 I CB -0.659 37.015 38.000 -0.544 0.000 1.065 804 I HN 0.308 nan 8.210 nan 0.000 0.418 805 T N 0.128 114.547 114.554 -0.225 0.000 2.720 805 T HA -0.199 4.227 4.350 0.128 0.000 0.268 805 T C 1.922 176.549 174.700 -0.120 0.000 1.037 805 T CA 1.247 63.259 62.100 -0.147 0.000 1.144 805 T CB -0.105 68.692 68.868 -0.119 0.000 0.864 805 T HN 0.290 nan 8.240 nan 0.000 0.444 806 Q N 0.682 120.408 119.800 -0.124 0.000 2.079 806 Q HA 0.093 4.510 4.340 0.128 0.000 0.200 806 Q C 2.500 178.451 176.000 -0.081 0.000 0.974 806 Q CA 1.021 56.771 55.803 -0.089 0.000 0.840 806 Q CB -0.714 27.971 28.738 -0.088 0.000 0.898 806 Q HN 0.504 nan 8.270 nan 0.000 0.430 807 L N -0.006 121.146 121.223 -0.120 0.000 2.127 807 L HA -0.165 4.252 4.340 0.128 0.000 0.211 807 L C 2.322 179.167 176.870 -0.041 0.000 1.089 807 L CA 0.858 55.648 54.840 -0.083 0.000 0.757 807 L CB -0.440 41.513 42.059 -0.176 0.000 0.899 807 L HN 0.172 nan 8.230 nan 0.000 0.434 808 I N -0.593 119.933 120.570 -0.075 0.000 2.286 808 I HA -0.222 4.025 4.170 0.128 0.000 0.245 808 I C 2.703 178.819 176.117 -0.002 0.000 1.104 808 I CA 1.102 62.395 61.300 -0.012 0.000 1.397 808 I CB -0.212 37.772 38.000 -0.026 0.000 1.072 808 I HN 0.191 nan 8.210 nan 0.000 0.417 809 R N 0.585 121.074 120.500 -0.020 0.000 2.092 809 R HA -0.056 4.361 4.340 0.128 0.000 0.231 809 R C 2.182 178.481 176.300 -0.001 0.000 1.119 809 R CA 1.329 57.424 56.100 -0.009 0.000 0.970 809 R CB -0.547 29.744 30.300 -0.016 0.000 0.864 809 R HN 0.372 nan 8.270 nan 0.000 0.440 810 G N 0.586 109.384 108.800 -0.004 0.000 2.848 810 G HA2 -0.110 3.927 3.960 0.128 0.000 0.208 810 G HA3 -0.110 3.927 3.960 0.128 0.000 0.208 810 G C -0.072 174.839 174.900 0.017 0.000 1.152 810 G CA -0.250 44.852 45.100 0.003 0.000 0.789 810 G HN 0.214 nan 8.290 nan 0.000 0.531 811 K N -0.919 119.497 120.400 0.027 0.000 3.077 811 K HA -0.185 4.212 4.320 0.128 0.000 0.264 811 K C 0.597 177.233 176.600 0.060 0.000 1.008 811 K CA 0.076 56.389 56.287 0.044 0.000 0.740 811 K CB -1.637 30.882 32.500 0.032 0.000 1.273 811 K HN 0.518 nan 8.250 nan 0.000 0.477 812 A N 0.894 123.761 122.820 0.079 0.000 2.256 812 A HA 0.576 4.972 4.320 0.128 0.000 0.318 812 A C 0.035 177.726 177.584 0.179 0.000 1.103 812 A CA -0.739 51.361 52.037 0.105 0.000 0.860 812 A CB 0.545 19.600 19.000 0.092 0.000 1.182 812 A HN 0.291 nan 8.150 nan 0.000 0.501 813 N N 0.327 119.138 118.700 0.185 0.000 2.400 813 N HA 0.573 5.390 4.740 0.128 0.000 0.288 813 N C -1.079 174.611 175.510 0.299 0.000 1.024 813 N CA 0.028 53.194 53.050 0.194 0.000 0.894 813 N CB 1.394 39.945 38.487 0.107 0.000 1.173 813 N HN 0.663 nan 8.380 nan 0.000 0.487 814 Y N -1.318 119.029 120.300 0.079 0.000 2.818 814 Y HA 0.788 5.415 4.550 0.128 0.000 0.322 814 Y C -0.755 175.123 175.900 -0.036 0.000 1.323 814 Y CA -1.329 56.800 58.100 0.047 0.000 1.090 814 Y CB 1.182 39.635 38.460 -0.012 0.000 1.328 814 Y HN 0.327 nan 8.280 nan 0.000 0.482 815 S N 1.138 116.699 115.700 -0.232 0.000 2.566 815 S HA 0.603 5.150 4.470 0.128 0.000 0.273 815 S C -2.227 172.270 174.600 -0.172 0.000 1.157 815 S CA -0.717 57.291 58.200 -0.320 0.000 0.938 815 S CB 0.898 63.971 63.200 -0.212 0.000 1.087 815 S HN 0.887 nan 8.310 nan 0.000 0.474 816 L N 3.987 125.138 121.223 -0.120 0.000 2.346 816 L HA 0.629 5.046 4.340 0.128 0.000 0.274 816 L C -0.866 175.944 176.870 -0.100 0.000 1.007 816 L CA -0.468 54.344 54.840 -0.047 0.000 0.818 816 L CB 1.811 43.926 42.059 0.093 0.000 1.284 816 L HN 0.740 nan 8.230 nan 0.000 0.424 817 Q N 3.809 123.544 119.800 -0.107 0.000 2.310 817 Q HA 0.452 4.869 4.340 0.128 0.000 0.270 817 Q C -1.380 174.526 176.000 -0.157 0.000 1.025 817 Q CA -0.692 55.014 55.803 -0.161 0.000 0.772 817 Q CB 3.150 31.787 28.738 -0.170 0.000 1.253 817 Q HN 0.449 nan 8.270 nan 0.000 0.450 818 I N 1.313 121.729 120.570 -0.256 0.000 2.750 818 I HA 0.313 4.560 4.170 0.128 0.000 0.308 818 I C -1.276 174.571 176.117 -0.450 0.000 1.016 818 I CA -0.629 60.521 61.300 -0.251 0.000 1.098 818 I CB 1.354 39.193 38.000 -0.269 0.000 1.279 818 I HN 0.491 nan 8.210 nan 0.000 0.454 819 Y N 4.811 125.040 120.300 -0.118 0.000 2.748 819 Y HA 0.412 5.039 4.550 0.128 0.000 0.359 819 Y C -2.237 173.552 175.900 -0.185 0.000 1.030 819 Y CA -2.613 55.399 58.100 -0.146 0.000 1.169 819 Y CB 0.439 38.815 38.460 -0.140 0.000 1.127 819 Y HN 0.364 nan 8.280 nan 0.000 0.644 820 P HA -0.126 nan 4.420 nan 0.000 0.257 820 P C 0.171 177.442 177.300 -0.049 0.000 1.153 820 P CA 1.299 64.332 63.100 -0.111 0.000 0.762 820 P CB 0.449 32.075 31.700 -0.123 0.000 0.743 821 D N -0.098 120.289 120.400 -0.022 0.000 3.067 821 D HA -0.182 4.535 4.640 0.128 0.000 0.216 821 D C 0.166 176.437 176.300 -0.049 0.000 1.162 821 D CA 1.340 55.330 54.000 -0.016 0.000 0.960 821 D CB -0.669 40.126 40.800 -0.008 0.000 1.129 821 D HN 0.433 nan 8.370 nan 0.000 0.408 822 E N 0.388 120.543 120.200 -0.075 0.000 2.354 822 E HA 0.299 4.726 4.350 0.128 0.000 0.269 822 E C 0.681 177.201 176.600 -0.132 0.000 1.036 822 E CA -0.054 56.254 56.400 -0.153 0.000 0.876 822 E CB 1.361 30.897 29.700 -0.274 0.000 1.009 822 E HN 0.206 nan 8.360 nan 0.000 0.416 823 S N 1.285 116.903 115.700 -0.138 0.000 2.633 823 S HA -0.037 4.509 4.470 0.128 0.000 0.257 823 S C 1.205 175.774 174.600 -0.052 0.000 1.265 823 S CA 0.285 58.471 58.200 -0.024 0.000 0.980 823 S CB 0.440 63.666 63.200 0.043 0.000 1.017 823 S HN 0.688 nan 8.310 nan 0.000 0.577 824 H N -0.312 118.763 119.070 0.008 0.000 2.436 824 H HA 0.104 4.737 4.556 0.127 0.000 0.294 824 H C 1.281 176.544 175.328 -0.108 0.000 1.048 824 H CA 1.848 57.862 56.048 -0.056 0.000 1.353 824 H CB -0.354 29.364 29.762 -0.073 0.000 1.414 824 H HN 0.685 nan 8.280 nan 0.000 0.536 825 Y N -0.816 119.495 120.300 0.018 0.000 2.365 825 Y HA 0.069 4.695 4.550 0.128 0.000 0.293 825 Y C 0.026 176.032 175.900 0.176 0.000 1.119 825 Y CA 0.789 58.921 58.100 0.054 0.000 1.203 825 Y CB 0.228 38.763 38.460 0.125 0.000 1.026 825 Y HN 0.065 nan 8.280 nan 0.000 0.549 826 F N 0.089 120.025 119.950 -0.023 0.000 2.744 826 F HA -0.215 4.390 4.527 0.130 0.000 0.377 826 F C 0.475 176.257 175.800 -0.029 0.000 1.069 826 F CA 0.596 58.534 58.000 -0.103 0.000 1.211 826 F CB -1.966 36.919 39.000 -0.192 0.000 1.606 826 F HN 0.042 nan 8.300 nan 0.000 0.781 827 T N -2.899 111.718 114.554 0.105 0.000 3.327 827 T HA 0.401 4.828 4.350 0.128 0.000 0.241 827 T C 0.386 175.114 174.700 0.046 0.000 0.907 827 T CA 0.299 62.449 62.100 0.082 0.000 0.931 827 T CB 0.753 69.654 68.868 0.055 0.000 1.112 827 T HN 0.487 nan 8.240 nan 0.000 0.589 828 S N 0.969 116.692 115.700 0.037 0.000 2.756 828 S HA 0.414 4.960 4.470 0.128 0.000 0.303 828 S C 1.371 175.960 174.600 -0.019 0.000 1.135 828 S CA -0.199 58.002 58.200 0.002 0.000 1.066 828 S CB 1.139 64.320 63.200 -0.032 0.000 1.008 828 S HN 0.473 nan 8.310 nan 0.000 0.482 829 S N 3.925 119.616 115.700 -0.016 0.000 2.380 829 S HA -0.171 4.376 4.470 0.128 0.000 0.229 829 S C 2.103 176.542 174.600 -0.268 0.000 1.043 829 S CA 1.936 60.089 58.200 -0.079 0.000 1.038 829 S CB -1.008 62.191 63.200 -0.003 0.000 0.872 829 S HN 0.796 nan 8.310 nan 0.000 0.456 830 S N 1.425 117.026 115.700 -0.165 0.000 2.353 830 S HA -0.032 4.515 4.470 0.128 0.000 0.222 830 S C 1.850 176.368 174.600 -0.137 0.000 1.035 830 S CA 1.352 59.457 58.200 -0.159 0.000 1.025 830 S CB -0.643 62.510 63.200 -0.078 0.000 0.902 830 S HN 0.559 nan 8.310 nan 0.000 0.440 831 L N 0.864 122.037 121.223 -0.082 0.000 2.005 831 L HA -0.069 4.348 4.340 0.128 0.000 0.207 831 L C 2.779 179.626 176.870 -0.038 0.000 1.072 831 L CA 1.766 56.593 54.840 -0.022 0.000 0.744 831 L CB -0.565 41.479 42.059 -0.025 0.000 0.895 831 L HN 0.394 nan 8.230 nan 0.000 0.433 832 K N -0.142 120.193 120.400 -0.109 0.000 2.089 832 K HA -0.328 4.068 4.320 0.128 0.000 0.210 832 K C 2.083 178.394 176.600 -0.480 0.000 1.048 832 K CA 2.190 58.285 56.287 -0.321 0.000 0.926 832 K CB -0.057 32.314 32.500 -0.216 0.000 0.714 832 K HN 0.250 nan 8.250 nan 0.000 0.448 833 Q N -0.118 119.371 119.800 -0.518 0.000 2.002 833 Q HA -0.271 4.146 4.340 0.128 0.000 0.204 833 Q C 2.217 178.150 176.000 -0.110 0.000 0.988 833 Q CA 2.005 57.486 55.803 -0.536 0.000 0.843 833 Q CB -0.412 27.791 28.738 -0.891 0.000 0.908 833 Q HN 0.465 nan 8.270 nan 0.000 0.420 834 H N 0.521 119.511 119.070 -0.134 0.000 2.357 834 H HA -0.186 4.447 4.556 0.129 0.000 0.296 834 H C 2.029 177.391 175.328 0.057 0.000 1.108 834 H CA 1.836 57.889 56.048 0.008 0.000 1.273 834 H CB -0.343 29.468 29.762 0.082 0.000 1.367 834 H HN 0.434 nan 8.280 nan 0.000 0.498 835 L N -0.039 121.293 121.223 0.181 0.000 1.955 835 L HA -0.280 4.137 4.340 0.128 0.000 0.213 835 L C 2.468 179.363 176.870 0.041 0.000 1.072 835 L CA 1.865 56.739 54.840 0.056 0.000 0.755 835 L CB -0.791 41.021 42.059 -0.413 0.000 0.888 835 L HN 0.358 nan 8.230 nan 0.000 0.432 836 Y N 0.005 120.247 120.300 -0.096 0.000 2.081 836 Y HA -0.368 4.260 4.550 0.129 0.000 0.280 836 Y C 2.909 178.772 175.900 -0.063 0.000 1.163 836 Y CA 1.301 59.347 58.100 -0.089 0.000 1.135 836 Y CB -0.347 38.214 38.460 0.168 0.000 0.970 836 Y HN 0.290 nan 8.280 nan 0.000 0.498 837 R N 0.118 120.713 120.500 0.159 0.000 2.112 837 R HA -0.194 4.223 4.340 0.128 0.000 0.242 837 R C 2.428 178.703 176.300 -0.042 0.000 1.137 837 R CA 1.760 57.888 56.100 0.046 0.000 0.944 837 R CB -0.896 29.382 30.300 -0.037 0.000 0.857 837 R HN 0.187 nan 8.270 nan 0.000 0.435 838 S N 1.125 116.759 115.700 -0.111 0.000 2.368 838 S HA -0.168 4.379 4.470 0.128 0.000 0.226 838 S C 2.091 176.630 174.600 -0.102 0.000 1.044 838 S CA 1.515 59.647 58.200 -0.113 0.000 1.062 838 S CB -0.330 62.834 63.200 -0.060 0.000 0.931 838 S HN 0.227 nan 8.310 nan 0.000 0.440 839 I N 2.046 122.522 120.570 -0.156 0.000 2.127 839 I HA -0.232 4.015 4.170 0.128 0.000 0.241 839 I C 2.370 178.421 176.117 -0.109 0.000 1.075 839 I CA 1.559 62.700 61.300 -0.266 0.000 1.334 839 I CB -0.704 36.896 38.000 -0.667 0.000 1.040 839 I HN 0.374 nan 8.210 nan 0.000 0.405 840 I N -0.529 120.036 120.570 -0.009 0.000 2.264 840 I HA -0.270 3.977 4.170 0.128 0.000 0.248 840 I C 1.945 178.049 176.117 -0.022 0.000 1.111 840 I CA 1.881 63.239 61.300 0.097 0.000 1.382 840 I CB -0.890 37.185 38.000 0.125 0.000 1.060 840 I HN 0.183 nan 8.210 nan 0.000 0.418 841 N N 0.868 119.546 118.700 -0.037 0.000 2.364 841 N HA -0.156 4.661 4.740 0.128 0.000 0.183 841 N C 1.474 176.956 175.510 -0.046 0.000 1.022 841 N CA 1.354 54.373 53.050 -0.051 0.000 0.883 841 N CB -0.442 38.022 38.487 -0.038 0.000 0.965 841 N HN 0.541 nan 8.380 nan 0.000 0.438 842 F N 0.005 119.813 119.950 -0.236 0.000 2.074 842 F HA 0.093 4.697 4.527 0.129 0.000 0.290 842 F C 1.731 177.337 175.800 -0.323 0.000 1.118 842 F CA 1.104 58.908 58.000 -0.326 0.000 1.199 842 F CB -0.669 38.018 39.000 -0.522 0.000 1.012 842 F HN -0.069 nan 8.300 nan 0.000 0.472 843 F N -0.421 119.329 119.950 -0.334 0.000 2.102 843 F HA -0.198 4.406 4.527 0.128 0.000 0.298 843 F C 2.620 178.007 175.800 -0.689 0.000 1.105 843 F CA 1.258 58.846 58.000 -0.687 0.000 1.239 843 F CB -1.010 37.708 39.000 -0.469 0.000 0.991 843 F HN -0.113 nan 8.300 nan 0.000 0.474 844 V N 0.110 119.932 119.914 -0.152 0.000 2.546 844 V HA -0.248 3.949 4.120 0.128 0.000 0.254 844 V C 2.185 178.260 176.094 -0.031 0.000 1.076 844 V CA 1.802 64.061 62.300 -0.069 0.000 1.087 844 V CB -0.273 31.389 31.823 -0.268 0.000 0.674 844 V HN 0.276 nan 8.190 nan 0.000 0.470 845 E N 0.246 120.362 120.200 -0.139 0.000 2.004 845 E HA -0.129 4.298 4.350 0.128 0.000 0.192 845 E C 1.958 178.506 176.600 -0.086 0.000 0.987 845 E CA 1.650 57.986 56.400 -0.107 0.000 0.822 845 E CB -0.870 28.738 29.700 -0.153 0.000 0.779 845 E HN 0.810 nan 8.360 nan 0.000 0.458 846 c N 1.065 119.524 118.600 -0.235 0.000 2.479 846 c HA 0.126 4.773 4.570 0.128 0.000 0.337 846 c C 1.617 175.800 174.090 0.154 0.000 1.429 846 c CA -0.428 55.827 56.329 -0.122 0.000 1.532 846 c CB -2.071 40.274 42.510 -0.274 0.000 1.563 846 c HN 0.113 nan 8.230 nan 0.000 0.604 847 F N -0.031 119.909 119.950 -0.017 0.000 2.463 847 F HA 0.397 5.001 4.527 0.129 0.000 0.271 847 F C 1.543 177.356 175.800 0.022 0.000 0.888 847 F CA -0.240 57.774 58.000 0.023 0.000 1.149 847 F CB -0.890 38.140 39.000 0.049 0.000 1.071 847 F HN 0.046 nan 8.300 nan 0.000 0.802 848 R N 1.485 122.121 120.500 0.226 0.000 2.640 848 R HA 0.211 4.627 4.340 0.128 0.000 0.270 848 R C -0.144 176.205 176.300 0.082 0.000 1.024 848 R CA 0.360 56.533 56.100 0.122 0.000 1.085 848 R CB -0.027 30.333 30.300 0.101 0.000 0.963 848 R HN 0.314 nan 8.270 nan 0.000 0.426 849 I N 0.000 120.600 120.570 0.049 0.000 2.984 849 I HA 0.000 4.247 4.170 0.128 0.000 0.288 849 I CA 0.000 61.319 61.300 0.032 0.000 1.566 849 I CB 0.000 38.010 38.000 0.016 0.000 1.214 849 I HN 0.000 nan 8.210 nan 0.000 0.494