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_D 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 0.000 176.009 176.000 0.016 0.000 1.003 127 Q CA 0.000 55.811 55.803 0.013 0.000 1.022 127 Q CB 0.000 28.746 28.738 0.013 0.000 1.108 128 K N 1.242 121.653 120.400 0.019 0.000 2.527 128 K HA 0.582 4.901 4.320 -0.000 0.000 0.260 128 K C -1.202 175.416 176.600 0.030 0.000 0.937 128 K CA -1.082 55.219 56.287 0.024 0.000 0.826 128 K CB 2.539 35.054 32.500 0.025 0.000 1.359 128 K HN -0.042 nan 8.250 nan 0.000 0.434 129 K N 2.112 122.533 120.400 0.035 0.000 2.461 129 K HA -0.193 4.127 4.320 -0.000 0.000 0.252 129 K C -1.078 175.546 176.600 0.040 0.000 1.035 129 K CA 1.251 57.562 56.287 0.041 0.000 1.122 129 K CB 0.199 32.738 32.500 0.064 0.000 0.739 129 K HN 0.588 nan 8.250 nan 0.000 0.452 130 K N 2.844 123.255 120.400 0.019 0.000 2.098 130 K HA 0.280 4.600 4.320 -0.000 0.000 0.258 130 K C -0.693 175.906 176.600 -0.001 0.000 0.973 130 K CA -1.086 55.203 56.287 0.003 0.000 0.898 130 K CB 1.397 33.877 32.500 -0.032 0.000 1.057 130 K HN 0.323 nan 8.250 nan 0.000 0.447 131 V N 2.037 121.945 119.914 -0.010 0.000 2.485 131 V HA 0.016 4.136 4.120 -0.000 0.000 0.287 131 V C 0.612 176.661 176.094 -0.075 0.000 1.022 131 V CA 0.112 62.382 62.300 -0.049 0.000 1.067 131 V CB 0.644 32.433 31.823 -0.057 0.000 0.967 131 V HN 0.756 nan 8.190 nan 0.000 0.479 132 T N 3.219 117.715 114.554 -0.096 0.000 2.949 132 T HA 0.421 4.771 4.350 -0.000 0.000 0.287 132 T C 1.062 175.734 174.700 -0.047 0.000 1.034 132 T CA -0.447 61.628 62.100 -0.041 0.000 1.018 132 T CB 1.856 70.719 68.868 -0.008 0.000 1.135 132 T HN 0.251 nan 8.240 nan 0.000 0.532 133 V N 2.333 122.285 119.914 0.063 0.000 2.332 133 V HA -0.101 4.019 4.120 -0.000 0.000 0.248 133 V C 2.452 178.654 176.094 0.179 0.000 1.055 133 V CA 1.992 64.385 62.300 0.155 0.000 1.038 133 V CB -0.830 31.157 31.823 0.274 0.000 0.651 133 V HN 0.785 nan 8.190 nan 0.000 0.450 134 E N 0.351 120.631 120.200 0.133 0.000 2.058 134 E HA -0.212 4.138 4.350 -0.000 0.000 0.194 134 E C 1.976 178.595 176.600 0.033 0.000 0.997 134 E CA 1.546 58.029 56.400 0.139 0.000 0.801 134 E CB -0.524 29.230 29.700 0.090 0.000 0.746 134 E HN 0.587 nan 8.360 nan 0.000 0.450 135 D N 0.191 120.498 120.400 -0.154 0.000 2.116 135 D HA -0.166 4.474 4.640 -0.000 0.000 0.193 135 D C 2.084 177.975 176.300 -0.682 0.000 0.998 135 D CA 0.830 54.507 54.000 -0.539 0.000 0.836 135 D CB -0.323 39.971 40.800 -0.844 0.000 0.951 135 D HN 0.172 nan 8.370 nan 0.000 0.449 136 L N -0.401 120.514 121.223 -0.514 0.000 2.021 136 L HA -0.207 4.133 4.340 -0.000 0.000 0.215 136 L C 1.681 178.237 176.870 -0.524 0.000 1.074 136 L CA 1.184 55.685 54.840 -0.563 0.000 0.760 136 L CB -0.481 41.180 42.059 -0.663 0.000 0.889 136 L HN 0.004 nan 8.230 nan 0.000 0.433 137 F N -0.574 119.382 119.950 0.011 0.000 2.660 137 F HA 0.152 4.679 4.527 -0.000 0.000 0.297 137 F C 1.101 176.952 175.800 0.086 0.000 1.132 137 F CA -0.357 57.681 58.000 0.062 0.000 1.372 137 F CB -0.402 38.630 39.000 0.053 0.000 1.003 137 F HN -0.156 nan 8.300 nan 0.000 0.524 138 S N 0.313 116.123 115.700 0.182 0.000 2.565 138 S HA 0.044 4.514 4.470 -0.000 0.000 0.274 138 S C 1.312 176.081 174.600 0.281 0.000 1.309 138 S CA -0.479 57.869 58.200 0.246 0.000 1.043 138 S CB 1.334 64.730 63.200 0.327 0.000 0.939 138 S HN 0.261 nan 8.310 nan 0.000 0.504 139 E N 1.490 121.833 120.200 0.238 0.000 2.472 139 E HA -0.117 4.233 4.350 -0.000 0.000 0.200 139 E C 0.576 177.310 176.600 0.222 0.000 1.046 139 E CA 1.089 57.618 56.400 0.216 0.000 0.871 139 E CB -0.065 29.742 29.700 0.178 0.000 0.806 139 E HN 0.525 nan 8.360 nan 0.000 0.533 140 D N -0.840 119.723 120.400 0.272 0.000 2.120 140 D HA -0.085 4.555 4.640 -0.000 0.000 0.202 140 D C 0.826 177.188 176.300 0.103 0.000 0.972 140 D CA 0.821 54.941 54.000 0.199 0.000 0.837 140 D CB -0.234 40.691 40.800 0.209 0.000 0.989 140 D HN 0.275 nan 8.370 nan 0.000 0.469 141 F N 0.974 120.973 119.950 0.081 0.000 2.797 141 F HA 0.142 4.669 4.527 -0.000 0.000 0.302 141 F C 1.098 176.944 175.800 0.078 0.000 1.130 141 F CA -0.136 57.910 58.000 0.077 0.000 1.387 141 F CB -0.322 38.715 39.000 0.062 0.000 1.107 141 F HN -0.305 nan 8.300 nan 0.000 0.577 142 K N 2.307 122.845 120.400 0.231 0.000 2.349 142 K HA 0.134 4.454 4.320 -0.000 0.000 0.289 142 K C -0.033 176.636 176.600 0.114 0.000 1.064 142 K CA -0.300 56.111 56.287 0.207 0.000 0.947 142 K CB 0.302 32.960 32.500 0.264 0.000 1.007 142 K HN -0.069 nan 8.250 nan 0.000 0.478 143 I N 4.463 125.123 120.570 0.151 0.000 2.638 143 I HA 0.051 4.221 4.170 -0.000 0.000 0.286 143 I C 0.396 176.662 176.117 0.249 0.000 1.088 143 I CA -0.026 61.327 61.300 0.089 0.000 1.397 143 I CB 0.619 38.694 38.000 0.125 0.000 1.414 143 I HN 0.651 nan 8.210 nan 0.000 0.566 144 H N 3.111 122.192 119.070 0.018 0.000 2.638 144 H HA 0.203 4.759 4.556 -0.000 0.000 0.317 144 H C -0.757 174.589 175.328 0.030 0.000 1.006 144 H CA -0.775 55.286 56.048 0.022 0.000 1.222 144 H CB 1.732 31.492 29.762 -0.002 0.000 1.419 144 H HN 0.424 nan 8.280 nan 0.000 0.489 145 D N 4.839 125.332 120.400 0.155 0.000 2.347 145 D HA 0.104 4.744 4.640 -0.000 0.000 0.235 145 D C -1.696 174.661 176.300 0.096 0.000 1.149 145 D CA -2.431 51.628 54.000 0.098 0.000 0.850 145 D CB 1.736 42.585 40.800 0.081 0.000 1.061 145 D HN 0.304 nan 8.370 nan 0.000 0.487 146 P HA -0.064 nan 4.420 nan 0.000 0.225 146 P C -0.515 176.845 177.300 0.101 0.000 1.148 146 P CA 0.417 63.588 63.100 0.118 0.000 0.779 146 P CB 0.039 31.798 31.700 0.099 0.000 0.780 147 E N -1.851 118.382 120.200 0.055 0.000 2.228 147 E HA -0.211 4.139 4.350 -0.000 0.000 0.213 147 E C -0.065 176.554 176.600 0.031 0.000 1.282 147 E CA -0.068 56.359 56.400 0.045 0.000 0.707 147 E CB -1.898 27.840 29.700 0.064 0.000 1.150 147 E HN 0.345 nan 8.360 nan 0.000 0.362 148 A N 1.933 124.718 122.820 -0.058 0.000 2.477 148 A HA 0.330 4.650 4.320 -0.000 0.000 0.246 148 A C 0.368 177.863 177.584 -0.149 0.000 1.078 148 A CA 0.371 52.309 52.037 -0.165 0.000 0.770 148 A CB 0.639 19.295 19.000 -0.572 0.000 1.011 148 A HN 0.276 nan 8.150 nan 0.000 0.494 149 K N 2.953 123.316 120.400 -0.061 0.000 2.565 149 K HA 0.309 4.629 4.320 -0.000 0.000 0.249 149 K C -1.591 175.055 176.600 0.077 0.000 0.958 149 K CA -0.539 55.763 56.287 0.025 0.000 0.806 149 K CB 0.904 33.474 32.500 0.116 0.000 1.194 149 K HN 0.735 nan 8.250 nan 0.000 0.434 150 W N 4.747 126.164 121.300 0.195 0.000 2.170 150 W HA 0.150 4.810 4.660 -0.000 0.000 0.342 150 W C 1.031 177.529 176.519 -0.035 0.000 1.294 150 W CA -0.240 57.181 57.345 0.127 0.000 1.246 150 W CB 0.353 29.861 29.460 0.080 0.000 1.156 150 W HN 0.543 nan 8.180 nan 0.000 0.572 151 I N 1.159 121.811 120.570 0.136 0.000 4.312 151 I HA 0.035 4.205 4.170 -0.000 0.000 0.324 151 I C 0.907 176.934 176.117 -0.149 0.000 1.298 151 I CA 0.295 61.608 61.300 0.022 0.000 1.231 151 I CB 0.068 38.126 38.000 0.097 0.000 1.152 151 I HN 0.415 nan 8.210 nan 0.000 0.421 152 S N -0.207 115.406 115.700 -0.145 0.000 2.973 152 S HA 0.260 4.730 4.470 -0.000 0.000 0.317 152 S C -0.536 174.076 174.600 0.020 0.000 1.196 152 S CA -0.343 57.836 58.200 -0.035 0.000 0.894 152 S CB 1.108 64.378 63.200 0.117 0.000 1.292 152 S HN 0.110 nan 8.310 nan 0.000 0.614 153 D N 0.162 120.641 120.400 0.131 0.000 2.340 153 D HA 0.154 4.794 4.640 -0.000 0.000 0.217 153 D C 1.221 177.630 176.300 0.182 0.000 1.081 153 D CA 0.724 54.772 54.000 0.081 0.000 0.842 153 D CB -0.124 40.715 40.800 0.064 0.000 0.934 153 D HN 0.674 nan 8.370 nan 0.000 0.511 154 T N -3.230 111.517 114.554 0.321 0.000 3.041 154 T HA 0.143 4.493 4.350 -0.000 0.000 0.276 154 T C 0.221 175.205 174.700 0.472 0.000 0.948 154 T CA -0.404 61.968 62.100 0.454 0.000 0.885 154 T CB 0.290 69.329 68.868 0.285 0.000 1.175 154 T HN 0.315 nan 8.240 nan 0.000 0.529 155 E N 0.883 121.402 120.200 0.533 0.000 2.375 155 E HA 0.552 4.902 4.350 -0.000 0.000 0.280 155 E C -1.558 175.248 176.600 0.343 0.000 0.972 155 E CA -1.252 55.352 56.400 0.340 0.000 0.782 155 E CB 1.377 31.141 29.700 0.107 0.000 1.229 155 E HN 0.251 nan 8.360 nan 0.000 0.439 156 F N 0.224 120.167 119.950 -0.011 0.000 2.579 156 F HA 0.532 5.059 4.527 -0.000 0.000 0.324 156 F C 0.834 176.625 175.800 -0.015 0.000 1.058 156 F CA -1.439 56.412 58.000 -0.248 0.000 0.944 156 F CB 0.458 38.881 39.000 -0.962 0.000 1.245 156 F HN 0.382 nan 8.300 nan 0.000 0.477 157 I N 1.515 122.262 120.570 0.295 0.000 2.248 157 I HA -0.262 3.908 4.170 -0.000 0.000 0.248 157 I C 1.035 177.409 176.117 0.427 0.000 1.107 157 I CA 1.855 63.325 61.300 0.282 0.000 1.373 157 I CB -1.016 37.126 38.000 0.236 0.000 1.055 157 I HN 0.877 nan 8.210 nan 0.000 0.418 158 Y N 1.866 122.449 120.300 0.472 0.000 3.305 158 Y HA -0.268 4.282 4.550 -0.000 0.000 0.209 158 Y C 0.786 176.839 175.900 0.255 0.000 1.354 158 Y CA -0.048 58.318 58.100 0.443 0.000 1.392 158 Y CB -2.089 36.624 38.460 0.423 0.000 1.446 158 Y HN 0.282 nan 8.280 nan 0.000 0.553 159 R N 2.475 123.194 120.500 0.365 0.000 2.638 159 R HA 0.059 4.399 4.340 -0.000 0.000 0.268 159 R C 0.408 176.821 176.300 0.188 0.000 1.006 159 R CA 0.766 57.026 56.100 0.267 0.000 1.088 159 R CB 0.239 30.682 30.300 0.239 0.000 0.950 159 R HN 0.539 nan 8.270 nan 0.000 0.419 160 E N 2.045 122.319 120.200 0.123 0.000 1.845 160 E HA -0.326 4.024 4.350 -0.000 0.000 0.361 160 E C 0.522 177.156 176.600 0.056 0.000 0.643 160 E CA 1.203 57.627 56.400 0.039 0.000 1.340 160 E CB 0.192 29.945 29.700 0.087 0.000 0.460 160 E HN 0.672 nan 8.360 nan 0.000 0.402 161 Q N 3.022 122.819 119.800 -0.005 0.000 2.354 161 Q HA 0.050 4.390 4.340 -0.000 0.000 0.203 161 Q C 0.245 176.301 176.000 0.092 0.000 0.933 161 Q CA 0.658 56.532 55.803 0.119 0.000 0.901 161 Q CB 0.452 29.257 28.738 0.112 0.000 1.007 161 Q HN 0.431 nan 8.270 nan 0.000 0.495 162 K N -1.011 119.397 120.400 0.015 0.000 2.299 162 K HA 0.102 4.422 4.320 -0.000 0.000 0.148 162 K C -0.467 176.114 176.600 -0.032 0.000 1.759 162 K CA 0.019 56.284 56.287 -0.036 0.000 0.545 162 K CB -0.054 32.452 32.500 0.010 0.000 1.715 162 K HN 0.371 nan 8.250 nan 0.000 0.364 163 G N 0.082 108.860 108.800 -0.037 0.000 1.672 163 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.110 163 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.110 163 G C -0.122 174.738 174.900 -0.066 0.000 1.946 163 G CA -0.119 44.957 45.100 -0.040 0.000 1.302 163 G HN 0.299 nan 8.290 nan 0.000 0.416 164 T N 1.106 115.610 114.554 -0.083 0.000 2.932 164 T HA 0.439 4.789 4.350 -0.000 0.000 0.312 164 T C 0.146 174.745 174.700 -0.169 0.000 1.071 164 T CA 0.520 62.547 62.100 -0.122 0.000 1.128 164 T CB 0.773 69.570 68.868 -0.119 0.000 0.984 164 T HN 0.982 nan 8.240 nan 0.000 0.549 165 V N 7.311 127.113 119.914 -0.188 0.000 2.370 165 V HA 0.501 4.621 4.120 -0.000 0.000 0.283 165 V C 0.706 176.690 176.094 -0.183 0.000 1.023 165 V CA -0.843 61.346 62.300 -0.184 0.000 0.857 165 V CB 1.226 32.911 31.823 -0.230 0.000 0.985 165 V HN 0.844 nan 8.190 nan 0.000 0.443 166 R N 3.153 123.489 120.500 -0.274 0.000 2.722 166 R HA 0.708 5.048 4.340 -0.000 0.000 0.210 166 R C -0.936 175.373 176.300 0.015 0.000 1.453 166 R CA -0.847 55.128 56.100 -0.207 0.000 0.964 166 R CB 0.371 30.377 30.300 -0.489 0.000 2.311 166 R HN 0.468 nan 8.270 nan 0.000 0.517 167 L N 0.199 121.496 121.223 0.124 0.000 2.722 167 L HA 0.259 4.599 4.340 -0.000 0.000 0.244 167 L C -2.008 174.882 176.870 0.034 0.000 1.023 167 L CA -0.152 54.748 54.840 0.101 0.000 0.988 167 L CB 0.440 42.514 42.059 0.025 0.000 1.245 167 L HN 0.456 nan 8.230 nan 0.000 0.508 168 W N 3.521 124.679 121.300 -0.237 0.000 2.170 168 W HA 0.410 5.070 4.660 -0.000 0.000 0.336 168 W C 0.906 177.112 176.519 -0.521 0.000 1.283 168 W CA 0.536 57.580 57.345 -0.503 0.000 1.224 168 W CB 0.747 29.575 29.460 -1.054 0.000 1.132 168 W HN 0.579 nan 8.180 nan 0.000 0.571 169 N N 3.008 121.573 118.700 -0.226 0.000 2.746 169 N HA 0.060 4.800 4.740 -0.000 0.000 0.250 169 N C 0.512 176.013 175.510 -0.016 0.000 1.146 169 N CA -0.105 52.878 53.050 -0.111 0.000 0.828 169 N CB 0.992 39.385 38.487 -0.156 0.000 1.158 169 N HN 0.288 nan 8.380 nan 0.000 0.519 170 V N 2.211 122.217 119.914 0.152 0.000 2.363 170 V HA -0.279 3.841 4.120 -0.000 0.000 0.254 170 V C 2.122 178.149 176.094 -0.111 0.000 1.074 170 V CA 1.835 64.189 62.300 0.091 0.000 1.069 170 V CB -0.181 31.540 31.823 -0.170 0.000 0.659 170 V HN 0.628 nan 8.190 nan 0.000 0.455 171 E N -0.067 120.088 120.200 -0.075 0.000 2.110 171 E HA -0.122 4.228 4.350 -0.000 0.000 0.193 171 E C 0.685 177.265 176.600 -0.033 0.000 0.988 171 E CA 1.631 58.027 56.400 -0.006 0.000 0.804 171 E CB -0.071 29.695 29.700 0.109 0.000 0.745 171 E HN 0.645 nan 8.360 nan 0.000 0.458 172 T N 1.834 116.338 114.554 -0.083 0.000 3.428 172 T HA 0.129 4.479 4.350 -0.000 0.000 0.301 172 T C -0.694 173.849 174.700 -0.262 0.000 1.323 172 T CA -0.762 61.260 62.100 -0.130 0.000 1.647 172 T CB 0.118 68.929 68.868 -0.095 0.000 0.871 172 T HN -0.032 nan 8.240 nan 0.000 0.627 173 N N 2.099 120.575 118.700 -0.372 0.000 3.027 173 N HA -0.116 4.624 4.740 -0.000 0.000 0.306 173 N C -0.289 174.784 175.510 -0.729 0.000 1.127 173 N CA 0.875 53.448 53.050 -0.796 0.000 0.848 173 N CB -0.442 37.681 38.487 -0.606 0.000 0.982 173 N HN 0.487 nan 8.380 nan 0.000 0.620 174 T N -0.515 113.599 114.554 -0.733 0.000 3.317 174 T HA 0.171 4.521 4.350 -0.000 0.000 0.361 174 T C 0.069 174.453 174.700 -0.527 0.000 1.499 174 T CA -0.814 60.987 62.100 -0.499 0.000 1.529 174 T CB 0.019 68.714 68.868 -0.288 0.000 0.997 174 T HN 0.342 nan 8.240 nan 0.000 0.624 175 S N 1.576 116.869 115.700 -0.679 0.000 3.072 175 S HA 0.273 4.743 4.470 -0.000 0.000 0.306 175 S C 0.847 175.345 174.600 -0.171 0.000 1.207 175 S CA -0.653 57.291 58.200 -0.427 0.000 1.008 175 S CB -0.320 62.629 63.200 -0.418 0.000 1.390 175 S HN 0.431 nan 8.310 nan 0.000 0.523 176 T N 2.178 116.651 114.554 -0.134 0.000 2.652 176 T HA 0.268 4.618 4.350 -0.000 0.000 0.345 176 T C 0.253 174.914 174.700 -0.065 0.000 1.051 176 T CA -0.405 61.641 62.100 -0.090 0.000 1.021 176 T CB 0.277 69.102 68.868 -0.072 0.000 1.141 176 T HN 0.490 nan 8.240 nan 0.000 0.518 177 V N 1.545 121.425 119.914 -0.058 0.000 2.444 177 V HA 0.254 4.374 4.120 -0.000 0.000 0.294 177 V C 0.033 176.104 176.094 -0.039 0.000 1.022 177 V CA -0.477 61.785 62.300 -0.064 0.000 0.850 177 V CB 1.469 33.251 31.823 -0.068 0.000 0.992 177 V HN 0.583 nan 8.190 nan 0.000 0.426 178 L N 5.215 126.414 121.223 -0.040 0.000 2.286 178 L HA 0.413 4.753 4.340 -0.000 0.000 0.203 178 L C 0.330 177.197 176.870 -0.005 0.000 1.068 178 L CA 1.405 56.239 54.840 -0.011 0.000 0.811 178 L CB 0.148 42.210 42.059 0.004 0.000 0.989 178 L HN 0.394 nan 8.230 nan 0.000 0.467 179 I N -1.066 119.474 120.570 -0.050 0.000 2.894 179 I HA 0.339 4.509 4.170 -0.000 0.000 0.302 179 I C -0.340 175.722 176.117 -0.092 0.000 1.188 179 I CA -0.715 60.558 61.300 -0.045 0.000 1.014 179 I CB 2.028 39.973 38.000 -0.091 0.000 1.242 179 I HN 0.211 nan 8.210 nan 0.000 0.430 180 E N 1.533 121.685 120.200 -0.080 0.000 2.449 180 E HA 0.560 4.910 4.350 -0.000 0.000 0.254 180 E C 0.471 177.024 176.600 -0.078 0.000 0.907 180 E CA -1.018 55.322 56.400 -0.100 0.000 0.840 180 E CB 0.795 30.418 29.700 -0.130 0.000 1.459 180 E HN 0.617 nan 8.360 nan 0.000 0.407 181 G N 0.605 109.360 108.800 -0.075 0.000 3.327 181 G HA2 -0.136 3.824 3.960 -0.000 0.000 0.218 181 G HA3 -0.136 3.824 3.960 -0.000 0.000 0.218 181 G C 0.608 175.472 174.900 -0.059 0.000 1.261 181 G CA 0.535 45.602 45.100 -0.055 0.000 1.438 181 G HN 0.377 nan 8.290 nan 0.000 0.530 182 K N -1.014 119.347 120.400 -0.065 0.000 2.358 182 K HA 0.327 4.647 4.320 -0.000 0.000 0.197 182 K C 1.636 178.181 176.600 -0.092 0.000 1.025 182 K CA 0.179 56.414 56.287 -0.087 0.000 1.104 182 K CB 0.417 32.858 32.500 -0.099 0.000 0.855 182 K HN 0.151 nan 8.250 nan 0.000 0.531 183 K N 0.822 121.213 120.400 -0.015 0.000 2.116 183 K HA 0.186 4.506 4.320 -0.000 0.000 0.203 183 K C 1.642 178.252 176.600 0.017 0.000 1.052 183 K CA 1.076 57.408 56.287 0.074 0.000 0.952 183 K CB -0.143 32.452 32.500 0.159 0.000 0.729 183 K HN 0.095 nan 8.250 nan 0.000 0.446 184 I N 1.604 122.172 120.570 -0.004 0.000 2.264 184 I HA -0.324 3.846 4.170 -0.000 0.000 0.248 184 I C 2.595 178.683 176.117 -0.050 0.000 1.111 184 I CA 1.357 62.649 61.300 -0.014 0.000 1.382 184 I CB -0.418 37.571 38.000 -0.018 0.000 1.060 184 I HN 0.333 nan 8.210 nan 0.000 0.418 185 E N 1.420 121.574 120.200 -0.078 0.000 2.021 185 E HA -0.235 4.115 4.350 -0.000 0.000 0.200 185 E C 1.162 177.669 176.600 -0.155 0.000 1.015 185 E CA 1.632 57.965 56.400 -0.112 0.000 0.824 185 E CB -0.117 29.506 29.700 -0.129 0.000 0.762 185 E HN 0.291 nan 8.360 nan 0.000 0.454 186 S N 1.767 117.345 115.700 -0.203 0.000 3.911 186 S HA 0.032 4.502 4.470 -0.000 0.000 0.188 186 S C -0.003 174.452 174.600 -0.243 0.000 1.147 186 S CA -0.056 57.977 58.200 -0.278 0.000 0.961 186 S CB -0.617 62.369 63.200 -0.356 0.000 1.582 186 S HN 0.419 nan 8.310 nan 0.000 0.458 187 L N 2.146 123.229 121.223 -0.234 0.000 4.146 187 L HA -0.244 4.096 4.340 -0.000 0.000 0.476 187 L C 0.837 177.685 176.870 -0.037 0.000 1.127 187 L CA 0.837 55.581 54.840 -0.160 0.000 0.669 187 L CB -1.604 40.286 42.059 -0.282 0.000 1.517 187 L HN 0.796 nan 8.230 nan 0.000 0.782 188 R N 0.428 120.925 120.500 -0.005 0.000 2.884 188 R HA -0.196 4.144 4.340 -0.000 0.000 0.251 188 R C 0.600 176.976 176.300 0.127 0.000 0.870 188 R CA 0.627 56.763 56.100 0.059 0.000 0.647 188 R CB -0.950 29.385 30.300 0.058 0.000 1.415 188 R HN 0.962 nan 8.270 nan 0.000 0.513 189 A N 3.448 126.373 122.820 0.175 0.000 2.561 189 A HA 0.045 4.365 4.320 -0.000 0.000 0.251 189 A C 1.289 179.019 177.584 0.243 0.000 1.062 189 A CA 0.093 52.300 52.037 0.284 0.000 0.761 189 A CB 0.140 19.442 19.000 0.503 0.000 0.986 189 A HN 0.567 nan 8.150 nan 0.000 0.510 190 I N 1.503 122.196 120.570 0.204 0.000 2.353 190 I HA -0.026 4.144 4.170 -0.000 0.000 0.248 190 I C 1.577 177.795 176.117 0.168 0.000 1.119 190 I CA 1.450 62.846 61.300 0.160 0.000 1.417 190 I CB -0.325 37.747 38.000 0.120 0.000 1.078 190 I HN 0.770 nan 8.210 nan 0.000 0.421 191 R N 0.211 120.813 120.500 0.171 0.000 2.854 191 R HA 0.477 4.817 4.340 -0.000 0.000 0.271 191 R C -1.772 174.617 176.300 0.149 0.000 0.994 191 R CA -0.607 55.575 56.100 0.137 0.000 0.945 191 R CB 2.043 32.426 30.300 0.138 0.000 1.194 191 R HN 0.070 nan 8.270 nan 0.000 0.476 192 Y N -1.079 119.200 120.300 -0.035 0.000 2.592 192 Y HA 0.536 5.086 4.550 -0.000 0.000 0.334 192 Y C -1.929 173.920 175.900 -0.084 0.000 1.136 192 Y CA -0.973 56.984 58.100 -0.237 0.000 1.042 192 Y CB 1.713 39.861 38.460 -0.520 0.000 1.325 192 Y HN 0.717 nan 8.280 nan 0.000 0.457 193 E N 3.356 123.590 120.200 0.057 0.000 2.307 193 E HA 0.446 4.796 4.350 -0.000 0.000 0.280 193 E C -1.662 175.217 176.600 0.464 0.000 0.900 193 E CA -0.951 55.551 56.400 0.170 0.000 0.790 193 E CB 1.584 31.400 29.700 0.193 0.000 1.261 193 E HN 0.709 nan 8.360 nan 0.000 0.405 194 I N 1.853 122.619 120.570 0.326 0.000 2.634 194 I HA 0.192 4.362 4.170 -0.000 0.000 0.284 194 I C 0.873 176.871 176.117 -0.199 0.000 1.124 194 I CA -0.376 61.023 61.300 0.165 0.000 1.417 194 I CB 0.582 38.656 38.000 0.122 0.000 1.396 194 I HN 0.379 nan 8.210 nan 0.000 0.571 195 S N 5.884 121.135 115.700 -0.749 0.000 2.608 195 S HA 0.390 4.860 4.470 -0.000 0.000 0.261 195 S C -1.407 172.841 174.600 -0.586 0.000 1.314 195 S CA -0.701 56.590 58.200 -1.514 0.000 0.992 195 S CB 0.378 62.422 63.200 -1.926 0.000 0.935 195 S HN 0.689 nan 8.310 nan 0.000 0.564 196 P HA -0.107 nan 4.420 nan 0.000 0.216 196 P C 0.708 177.927 177.300 -0.135 0.000 1.153 196 P CA 1.491 64.482 63.100 -0.182 0.000 0.844 196 P CB -0.417 31.209 31.700 -0.124 0.000 0.787 197 D N -0.213 120.089 120.400 -0.163 0.000 2.358 197 D HA -0.113 4.527 4.640 -0.000 0.000 0.241 197 D C 0.472 176.725 176.300 -0.078 0.000 1.094 197 D CA -0.089 53.860 54.000 -0.084 0.000 0.907 197 D CB -1.056 39.712 40.800 -0.053 0.000 0.893 197 D HN 0.039 nan 8.370 nan 0.000 0.528 198 R N -0.642 119.787 120.500 -0.118 0.000 3.610 198 R HA -0.217 4.123 4.340 -0.000 0.000 0.274 198 R C 0.362 176.624 176.300 -0.062 0.000 1.123 198 R CA 1.224 57.275 56.100 -0.081 0.000 0.747 198 R CB -2.050 28.229 30.300 -0.035 0.000 1.149 198 R HN 0.423 nan 8.270 nan 0.000 0.471 199 E N -1.449 118.717 120.200 -0.058 0.000 2.526 199 E HA 0.123 4.473 4.350 -0.000 0.000 0.208 199 E C -0.435 176.089 176.600 -0.127 0.000 0.997 199 E CA 0.303 56.672 56.400 -0.051 0.000 0.961 199 E CB 0.501 30.220 29.700 0.031 0.000 1.030 199 E HN 0.241 nan 8.360 nan 0.000 0.483 200 Y N -0.464 119.779 120.300 -0.095 0.000 2.655 200 Y HA 0.588 5.138 4.550 -0.000 0.000 0.336 200 Y C -0.796 175.202 175.900 0.164 0.000 1.154 200 Y CA -1.110 57.028 58.100 0.063 0.000 1.055 200 Y CB 1.908 40.458 38.460 0.149 0.000 1.295 200 Y HN -0.170 nan 8.280 nan 0.000 0.465 201 A N 1.481 124.669 122.820 0.613 0.000 2.449 201 A HA 0.759 5.079 4.320 -0.000 0.000 0.302 201 A C -2.108 175.883 177.584 0.679 0.000 1.048 201 A CA -0.637 51.751 52.037 0.586 0.000 0.708 201 A CB 1.340 20.610 19.000 0.450 0.000 1.274 201 A HN 0.700 nan 8.150 nan 0.000 0.410 202 L N 1.745 123.254 121.223 0.476 0.000 2.307 202 L HA 0.698 5.038 4.340 -0.000 0.000 0.284 202 L C -1.441 175.482 176.870 0.088 0.000 1.023 202 L CA -0.421 54.569 54.840 0.250 0.000 0.810 202 L CB 1.146 43.142 42.059 -0.105 0.000 1.231 202 L HN 0.753 nan 8.230 nan 0.000 0.423 203 F N 1.302 121.406 119.950 0.257 0.000 2.563 203 F HA 0.559 5.086 4.527 -0.000 0.000 0.316 203 F C -0.025 175.877 175.800 0.169 0.000 1.076 203 F CA -0.574 57.566 58.000 0.234 0.000 0.921 203 F CB 2.446 41.552 39.000 0.177 0.000 1.209 203 F HN 0.358 nan 8.300 nan 0.000 0.462 204 S N 1.667 117.509 115.700 0.236 0.000 2.548 204 S HA 0.791 5.261 4.470 -0.000 0.000 0.276 204 S C -1.654 173.016 174.600 0.117 0.000 1.129 204 S CA -0.711 57.408 58.200 -0.135 0.000 0.931 204 S CB 1.672 64.483 63.200 -0.648 0.000 1.068 204 S HN 0.700 nan 8.310 nan 0.000 0.480 205 Y N 0.650 120.896 120.300 -0.089 0.000 2.644 205 Y HA 0.877 5.427 4.550 -0.000 0.000 0.338 205 Y C -0.317 175.618 175.900 0.058 0.000 1.119 205 Y CA -0.756 57.355 58.100 0.018 0.000 1.060 205 Y CB 0.748 39.245 38.460 0.061 0.000 1.294 205 Y HN 0.883 nan 8.280 nan 0.000 0.472 206 N N -0.918 117.785 118.700 0.005 0.000 3.494 206 N HA 0.245 4.985 4.740 -0.000 0.000 0.289 206 N C -1.303 174.249 175.510 0.069 0.000 1.247 206 N CA 0.433 53.458 53.050 -0.043 0.000 0.881 206 N CB 0.673 39.053 38.487 -0.179 0.000 3.519 206 N HN 0.560 nan 8.380 nan 0.000 0.646 207 V N -0.374 119.552 119.914 0.021 0.000 4.138 207 V HA 0.355 4.475 4.120 -0.000 0.000 0.171 207 V C -0.676 175.427 176.094 0.014 0.000 1.315 207 V CA 0.925 63.245 62.300 0.033 0.000 1.238 207 V CB 0.749 32.592 31.823 0.033 0.000 1.358 207 V HN 0.888 nan 8.190 nan 0.000 0.587 208 E N 1.037 121.233 120.200 -0.007 0.000 2.366 208 E HA 0.498 4.848 4.350 -0.000 0.000 0.278 208 E C -3.066 173.523 176.600 -0.018 0.000 0.923 208 E CA -1.682 54.714 56.400 -0.007 0.000 0.761 208 E CB 2.442 32.136 29.700 -0.009 0.000 1.231 208 E HN 0.205 nan 8.360 nan 0.000 0.443 209 P HA 0.144 nan 4.420 nan 0.000 0.270 209 P C 0.113 177.395 177.300 -0.030 0.000 1.223 209 P CA -0.183 62.914 63.100 -0.004 0.000 0.785 209 P CB 0.717 32.424 31.700 0.013 0.000 0.923 210 I N 0.030 120.570 120.570 -0.050 0.000 3.158 210 I HA -0.136 4.034 4.170 -0.000 0.000 0.224 210 I C 1.095 177.092 176.117 -0.200 0.000 1.041 210 I CA 1.119 62.301 61.300 -0.196 0.000 1.433 210 I CB -0.414 37.464 38.000 -0.204 0.000 1.288 210 I HN 0.328 nan 8.210 nan 0.000 0.424 211 Y N -0.078 120.255 120.300 0.055 0.000 2.800 211 Y HA 0.140 4.690 4.550 -0.000 0.000 0.176 211 Y C 2.182 178.037 175.900 -0.076 0.000 0.915 211 Y CA -0.215 57.911 58.100 0.043 0.000 1.372 211 Y CB -1.098 37.340 38.460 -0.038 0.000 1.069 211 Y HN 0.061 nan 8.280 nan 0.000 0.446 212 Q N -0.362 119.388 119.800 -0.084 0.000 1.742 212 Q HA -0.064 4.276 4.340 -0.000 0.000 0.336 212 Q C -0.463 175.306 176.000 -0.385 0.000 0.966 212 Q CA 1.042 56.567 55.803 -0.464 0.000 0.893 212 Q CB -0.316 27.986 28.738 -0.727 0.000 0.927 212 Q HN 0.484 nan 8.270 nan 0.000 0.417 213 H N -0.632 118.343 119.070 -0.158 0.000 2.458 213 H HA 0.430 4.986 4.556 -0.000 0.000 0.330 213 H C -1.099 174.154 175.328 -0.125 0.000 1.111 213 H CA -0.406 55.547 56.048 -0.160 0.000 1.245 213 H CB 1.601 31.251 29.762 -0.186 0.000 1.456 213 H HN 0.127 nan 8.280 nan 0.000 0.488 214 S N 3.240 118.922 115.700 -0.030 0.000 2.746 214 S HA 0.230 4.700 4.470 -0.000 0.000 0.273 214 S C -0.798 173.823 174.600 0.035 0.000 1.172 214 S CA -0.869 57.337 58.200 0.010 0.000 1.116 214 S CB -0.546 62.705 63.200 0.084 0.000 1.057 214 S HN 0.576 nan 8.310 nan 0.000 0.483 215 Y N 2.380 122.806 120.300 0.210 0.000 2.930 215 Y HA 0.432 4.981 4.550 -0.000 0.000 0.386 215 Y C 0.829 176.855 175.900 0.210 0.000 1.185 215 Y CA -0.910 57.316 58.100 0.210 0.000 1.922 215 Y CB -0.329 38.319 38.460 0.313 0.000 2.006 215 Y HN 0.446 nan 8.280 nan 0.000 0.431 216 T N 0.723 115.425 114.554 0.248 0.000 2.824 216 T HA 0.780 5.130 4.350 -0.000 0.000 0.280 216 T C 0.264 174.927 174.700 -0.062 0.000 0.995 216 T CA 0.392 62.576 62.100 0.140 0.000 1.009 216 T CB 1.209 70.119 68.868 0.071 0.000 0.955 216 T HN 0.934 nan 8.240 nan 0.000 0.452 217 G N 2.746 111.436 108.800 -0.183 0.000 2.356 217 G HA2 0.204 4.164 3.960 -0.000 0.000 0.266 217 G HA3 0.204 4.164 3.960 -0.000 0.000 0.266 217 G C -2.045 172.449 174.900 -0.675 0.000 1.312 217 G CA -0.876 43.906 45.100 -0.530 0.000 0.922 217 G HN 0.635 nan 8.290 nan 0.000 0.480 218 Y N 0.013 119.972 120.300 -0.569 0.000 2.308 218 Y HA 0.699 5.249 4.550 -0.000 0.000 0.329 218 Y C -0.015 175.597 175.900 -0.479 0.000 1.111 218 Y CA -0.211 57.586 58.100 -0.504 0.000 1.179 218 Y CB 1.103 39.096 38.460 -0.780 0.000 1.201 218 Y HN 0.484 nan 8.280 nan 0.000 0.483 219 Y N 0.668 120.999 120.300 0.053 0.000 2.487 219 Y HA 0.705 5.255 4.550 -0.000 0.000 0.337 219 Y C -0.497 175.476 175.900 0.121 0.000 1.076 219 Y CA -1.054 57.087 58.100 0.069 0.000 1.115 219 Y CB 1.862 40.262 38.460 -0.100 0.000 1.235 219 Y HN 0.265 nan 8.280 nan 0.000 0.468 220 V N 3.779 123.893 119.914 0.334 0.000 2.888 220 V HA 0.457 4.577 4.120 -0.000 0.000 0.309 220 V C -0.857 175.414 176.094 0.294 0.000 1.114 220 V CA -1.005 61.441 62.300 0.243 0.000 0.940 220 V CB 2.394 34.322 31.823 0.175 0.000 1.021 220 V HN 0.564 nan 8.190 nan 0.000 0.426 221 L N 2.542 123.895 121.223 0.217 0.000 2.334 221 L HA 0.868 5.208 4.340 -0.000 0.000 0.273 221 L C -0.137 176.920 176.870 0.311 0.000 1.013 221 L CA -0.227 54.801 54.840 0.313 0.000 0.816 221 L CB 2.110 44.303 42.059 0.223 0.000 1.278 221 L HN 0.723 nan 8.230 nan 0.000 0.431 222 S N 0.959 116.923 115.700 0.440 0.000 2.565 222 S HA 0.435 4.905 4.470 -0.000 0.000 0.269 222 S C -1.321 173.365 174.600 0.143 0.000 1.153 222 S CA -0.856 57.492 58.200 0.247 0.000 0.835 222 S CB 1.755 65.016 63.200 0.102 0.000 1.122 222 S HN 0.488 nan 8.310 nan 0.000 0.462 223 K N 2.156 122.461 120.400 -0.160 0.000 2.185 223 K HA 0.306 4.626 4.320 -0.000 0.000 0.271 223 K C 0.986 177.464 176.600 -0.204 0.000 1.013 223 K CA -0.489 55.504 56.287 -0.489 0.000 0.943 223 K CB 0.648 32.858 32.500 -0.483 0.000 0.998 223 K HN 0.506 nan 8.250 nan 0.000 0.468 224 I N 4.707 125.151 120.570 -0.209 0.000 2.113 224 I HA -0.278 3.892 4.170 -0.000 0.000 0.242 224 I C -1.106 175.007 176.117 -0.007 0.000 1.057 224 I CA 1.734 62.997 61.300 -0.061 0.000 1.314 224 I CB -0.820 37.141 38.000 -0.066 0.000 1.022 224 I HN 0.695 nan 8.210 nan 0.000 0.408 225 P HA -0.079 nan 4.420 nan 0.000 0.208 225 P C -0.557 176.903 177.300 0.266 0.000 1.200 225 P CA 1.871 65.008 63.100 0.061 0.000 0.924 225 P CB 0.050 31.649 31.700 -0.167 0.000 0.774 226 H N -5.196 113.837 119.070 -0.062 0.000 2.904 226 H HA 0.481 5.037 4.556 -0.000 0.000 0.290 226 H C -0.102 175.183 175.328 -0.072 0.000 1.437 226 H CA -0.654 55.357 56.048 -0.062 0.000 1.147 226 H CB -0.009 29.717 29.762 -0.059 0.000 1.824 226 H HN 0.490 nan 8.280 nan 0.000 0.505 227 G N 0.412 109.240 108.800 0.046 0.000 2.722 227 G HA2 0.070 4.030 3.960 -0.000 0.000 0.686 227 G HA3 0.070 4.030 3.960 -0.000 0.000 0.686 227 G C -0.933 173.935 174.900 -0.052 0.000 1.282 227 G CA 0.382 45.467 45.100 -0.026 0.000 0.817 227 G HN 1.149 nan 8.290 nan 0.000 0.605 228 D N -0.297 120.073 120.400 -0.050 0.000 3.357 228 D HA -0.104 4.536 4.640 -0.000 0.000 0.238 228 D C -1.023 175.260 176.300 -0.029 0.000 1.126 228 D CA 1.447 55.423 54.000 -0.039 0.000 0.984 228 D CB -0.073 40.711 40.800 -0.027 0.000 0.925 228 D HN 0.615 nan 8.370 nan 0.000 0.414 229 P HA 0.349 nan 4.420 nan 0.000 0.276 229 P C -0.640 176.652 177.300 -0.012 0.000 1.252 229 P CA -0.332 62.736 63.100 -0.054 0.000 0.802 229 P CB 1.139 32.757 31.700 -0.136 0.000 1.035 230 Q N 0.178 119.991 119.800 0.022 0.000 2.284 230 Q HA 0.352 4.692 4.340 -0.000 0.000 0.269 230 Q C -1.229 174.786 176.000 0.026 0.000 1.026 230 Q CA -0.381 55.436 55.803 0.022 0.000 0.831 230 Q CB 1.598 30.360 28.738 0.041 0.000 1.322 230 Q HN 0.301 nan 8.270 nan 0.000 0.419 231 S N 2.795 118.497 115.700 0.002 0.000 2.533 231 S HA 0.274 4.744 4.470 -0.000 0.000 0.282 231 S C -0.528 174.040 174.600 -0.053 0.000 1.304 231 S CA -0.318 57.882 58.200 -0.001 0.000 1.063 231 S CB 0.107 63.295 63.200 -0.019 0.000 0.881 231 S HN 0.561 nan 8.310 nan 0.000 0.493 232 L N 5.243 126.418 121.223 -0.080 0.000 2.315 232 L HA 0.468 4.808 4.340 -0.000 0.000 0.278 232 L C -1.172 175.441 176.870 -0.427 0.000 1.088 232 L CA -0.057 54.641 54.840 -0.236 0.000 0.899 232 L CB -0.253 41.661 42.059 -0.241 0.000 1.277 232 L HN 0.474 nan 8.230 nan 0.000 0.431 233 D N 5.771 125.925 120.400 -0.410 0.000 2.433 233 D HA 0.570 5.210 4.640 -0.000 0.000 0.236 233 D C -2.414 173.560 176.300 -0.544 0.000 1.026 233 D CA -1.163 52.537 54.000 -0.500 0.000 0.884 233 D CB 1.071 41.689 40.800 -0.303 0.000 1.384 233 D HN 0.323 nan 8.370 nan 0.000 0.477 234 P HA 0.145 nan 4.420 nan 0.000 0.274 234 P C -2.554 174.632 177.300 -0.190 0.000 1.264 234 P CA -0.979 61.856 63.100 -0.441 0.000 0.795 234 P CB -0.575 30.629 31.700 -0.826 0.000 1.064 235 P HA 0.058 nan 4.420 nan 0.000 0.276 235 P C 0.115 177.421 177.300 0.010 0.000 1.243 235 P CA 0.435 63.557 63.100 0.036 0.000 0.768 235 P CB 0.426 32.200 31.700 0.124 0.000 0.856 236 E N -0.864 119.329 120.200 -0.011 0.000 4.071 236 E HA -0.116 4.234 4.350 -0.000 0.000 0.355 236 E C -0.056 176.527 176.600 -0.030 0.000 0.653 236 E CA 0.749 57.145 56.400 -0.006 0.000 1.298 236 E CB -1.970 27.745 29.700 0.025 0.000 1.712 236 E HN 0.339 nan 8.360 nan 0.000 0.416 237 V N 1.242 121.104 119.914 -0.087 0.000 2.532 237 V HA 0.430 4.550 4.120 -0.000 0.000 0.295 237 V C 1.015 177.030 176.094 -0.131 0.000 1.041 237 V CA 0.218 62.449 62.300 -0.115 0.000 0.926 237 V CB 1.828 33.510 31.823 -0.235 0.000 0.992 237 V HN 0.216 nan 8.190 nan 0.000 0.457 238 S N 2.685 118.338 115.700 -0.079 0.000 2.549 238 S HA 0.087 4.557 4.470 -0.000 0.000 0.260 238 S C 0.747 175.302 174.600 -0.075 0.000 1.217 238 S CA -0.451 57.709 58.200 -0.066 0.000 1.001 238 S CB 0.161 63.342 63.200 -0.032 0.000 1.059 238 S HN 0.894 nan 8.310 nan 0.000 0.537 239 N N 1.562 120.234 118.700 -0.047 0.000 2.360 239 N HA 0.077 4.817 4.740 -0.000 0.000 0.292 239 N C -0.836 174.712 175.510 0.063 0.000 1.330 239 N CA 0.294 53.326 53.050 -0.029 0.000 1.009 239 N CB -0.680 37.763 38.487 -0.073 0.000 1.419 239 N HN 0.579 nan 8.380 nan 0.000 0.487 240 A N 3.720 126.588 122.820 0.079 0.000 2.401 240 A HA 0.405 4.725 4.320 -0.000 0.000 0.310 240 A C -0.101 177.579 177.584 0.159 0.000 1.075 240 A CA -0.830 51.306 52.037 0.165 0.000 0.746 240 A CB 1.304 20.319 19.000 0.026 0.000 1.277 240 A HN 0.535 nan 8.150 nan 0.000 0.425 241 K N 0.845 121.256 120.400 0.019 0.000 2.414 241 K HA 0.365 4.685 4.320 -0.000 0.000 0.272 241 K C -0.845 175.760 176.600 0.008 0.000 0.993 241 K CA 0.371 56.438 56.287 -0.365 0.000 0.964 241 K CB 0.368 32.537 32.500 -0.551 0.000 0.925 241 K HN 0.559 nan 8.250 nan 0.000 0.487 242 L N 2.348 123.586 121.223 0.025 0.000 2.342 242 L HA 0.212 4.552 4.340 -0.000 0.000 0.271 242 L C 1.142 178.143 176.870 0.220 0.000 1.008 242 L CA -0.588 54.366 54.840 0.190 0.000 0.818 242 L CB 1.782 43.933 42.059 0.152 0.000 1.296 242 L HN 0.633 nan 8.230 nan 0.000 0.427 243 Q N 1.105 121.033 119.800 0.213 0.000 2.389 243 Q HA 0.057 4.397 4.340 -0.000 0.000 0.204 243 Q C -0.932 175.254 176.000 0.311 0.000 0.944 243 Q CA 0.874 56.797 55.803 0.200 0.000 0.908 243 Q CB 0.534 29.358 28.738 0.142 0.000 1.002 243 Q HN 0.505 nan 8.270 nan 0.000 0.493 244 Y N -2.325 118.016 120.300 0.069 0.000 2.661 244 Y HA 0.433 4.983 4.550 -0.000 0.000 0.339 244 Y C -1.451 174.190 175.900 -0.432 0.000 1.186 244 Y CA -0.341 57.684 58.100 -0.125 0.000 1.137 244 Y CB 0.311 38.694 38.460 -0.128 0.000 1.354 244 Y HN -0.194 nan 8.280 nan 0.000 0.469 245 A N 2.777 124.522 122.820 -1.791 0.000 1.936 245 A HA 0.795 5.115 4.320 -0.000 0.000 0.197 245 A C 0.885 177.679 177.584 -1.316 0.000 2.189 245 A CA 0.072 51.237 52.037 -1.454 0.000 1.491 245 A CB -0.730 17.201 19.000 -1.780 0.000 1.021 245 A HN 2.275 nan 8.150 nan 0.000 0.537 246 G N -1.660 106.522 108.800 -1.031 0.000 2.915 246 G HA2 -0.153 3.807 3.960 -0.000 0.000 0.686 246 G HA3 -0.153 3.807 3.960 -0.000 0.000 0.686 246 G C -0.406 174.349 174.900 -0.241 0.000 1.414 246 G CA 0.039 44.849 45.100 -0.484 0.000 1.053 246 G HN 0.771 nan 8.290 nan 0.000 0.598 247 W N 1.095 122.394 121.300 -0.003 0.000 2.283 247 W HA 0.562 5.222 4.660 -0.000 0.000 0.341 247 W C 1.202 177.548 176.519 -0.288 0.000 1.206 247 W CA 0.092 57.397 57.345 -0.067 0.000 1.294 247 W CB 1.052 30.472 29.460 -0.066 0.000 1.154 247 W HN 0.896 nan 8.180 nan 0.000 0.613 248 G N 1.164 109.813 108.800 -0.252 0.000 2.535 248 G HA2 0.270 4.230 3.960 -0.000 0.000 0.282 248 G HA3 0.270 4.230 3.960 -0.000 0.000 0.282 248 G C -2.117 172.349 174.900 -0.724 0.000 1.350 248 G CA -0.774 43.487 45.100 -1.399 0.000 1.039 248 G HN 0.254 nan 8.290 nan 0.000 0.509 249 P HA 0.121 nan 4.420 nan 0.000 0.215 249 P C 0.369 177.594 177.300 -0.125 0.000 1.160 249 P CA 0.982 63.934 63.100 -0.247 0.000 0.869 249 P CB 0.310 31.926 31.700 -0.139 0.000 0.782 250 K N -0.878 119.465 120.400 -0.095 0.000 2.221 250 K HA 0.496 4.816 4.320 -0.000 0.000 0.243 250 K C 0.829 177.418 176.600 -0.019 0.000 0.968 250 K CA -0.244 56.024 56.287 -0.032 0.000 0.846 250 K CB 1.288 33.792 32.500 0.007 0.000 1.141 250 K HN 0.071 nan 8.250 nan 0.000 0.434 251 G N 1.721 110.513 108.800 -0.013 0.000 2.601 251 G HA2 -0.387 3.573 3.960 -0.000 0.000 0.306 251 G HA3 -0.387 3.573 3.960 -0.000 0.000 0.306 251 G C 0.098 174.957 174.900 -0.068 0.000 1.172 251 G CA 0.848 45.946 45.100 -0.004 0.000 0.966 251 G HN 0.758 nan 8.290 nan 0.000 0.542 252 Q N 0.098 119.887 119.800 -0.019 0.000 1.986 252 Q HA 0.309 4.649 4.340 -0.000 0.000 0.225 252 Q C 0.433 176.578 176.000 0.243 0.000 0.836 252 Q CA 0.506 56.264 55.803 -0.076 0.000 1.008 252 Q CB -0.168 28.486 28.738 -0.140 0.000 1.253 252 Q HN 0.980 nan 8.270 nan 0.000 0.415 253 Q N 1.343 121.264 119.800 0.202 0.000 2.421 253 Q HA 0.481 4.821 4.340 -0.000 0.000 0.255 253 Q C -0.278 175.941 176.000 0.365 0.000 1.013 253 Q CA -0.420 55.535 55.803 0.253 0.000 0.895 253 Q CB 0.793 29.750 28.738 0.365 0.000 1.271 253 Q HN 0.364 nan 8.270 nan 0.000 0.460 254 L N -1.189 120.239 121.223 0.342 0.000 2.775 254 L HA 0.729 5.069 4.340 -0.000 0.000 0.263 254 L C -1.252 175.833 176.870 0.359 0.000 1.017 254 L CA -1.155 53.871 54.840 0.311 0.000 0.891 254 L CB 1.147 43.121 42.059 -0.141 0.000 1.482 254 L HN 0.904 nan 8.230 nan 0.000 0.410 255 I N -1.051 119.710 120.570 0.318 0.000 3.042 255 I HA 0.987 5.157 4.170 -0.000 0.000 0.310 255 I C -1.451 174.655 176.117 -0.019 0.000 1.117 255 I CA -0.801 60.548 61.300 0.082 0.000 1.003 255 I CB 2.542 40.548 38.000 0.011 0.000 1.228 255 I HN 0.828 nan 8.210 nan 0.000 0.443 256 F N 1.696 121.621 119.950 -0.040 0.000 2.628 256 F HA 0.761 5.288 4.527 -0.000 0.000 0.309 256 F C -1.843 173.974 175.800 0.029 0.000 1.108 256 F CA -1.347 56.571 58.000 -0.137 0.000 0.971 256 F CB 0.857 39.679 39.000 -0.297 0.000 1.279 256 F HN 0.318 nan 8.300 nan 0.000 0.441 257 I N 3.525 124.296 120.570 0.336 0.000 2.354 257 I HA 0.464 4.634 4.170 -0.000 0.000 0.292 257 I C -1.438 174.916 176.117 0.394 0.000 0.989 257 I CA -0.667 60.821 61.300 0.315 0.000 1.188 257 I CB 1.711 39.820 38.000 0.181 0.000 1.342 257 I HN 0.632 nan 8.210 nan 0.000 0.457 258 F N 6.185 126.280 119.950 0.242 0.000 2.529 258 F HA 0.267 4.794 4.527 -0.000 0.000 0.320 258 F C 0.432 176.324 175.800 0.154 0.000 1.118 258 F CA -1.016 57.065 58.000 0.134 0.000 0.915 258 F CB 1.124 40.124 39.000 0.001 0.000 1.161 258 F HN 0.722 nan 8.300 nan 0.000 0.445 259 E N 3.736 123.624 120.200 -0.520 0.000 2.165 259 E HA -0.390 3.960 4.350 -0.000 0.000 0.203 259 E C -0.341 176.166 176.600 -0.155 0.000 1.335 259 E CA 0.894 57.047 56.400 -0.413 0.000 0.708 259 E CB -1.967 27.389 29.700 -0.574 0.000 1.105 259 E HN 0.805 nan 8.360 nan 0.000 0.346 260 N N -0.268 118.383 118.700 -0.082 0.000 2.725 260 N HA -0.159 4.581 4.740 -0.000 0.000 0.249 260 N C -1.245 174.259 175.510 -0.011 0.000 1.103 260 N CA 1.534 54.557 53.050 -0.045 0.000 0.707 260 N CB -1.054 37.344 38.487 -0.148 0.000 1.043 260 N HN 0.605 nan 8.380 nan 0.000 0.553 261 N N 0.175 118.911 118.700 0.061 0.000 2.240 261 N HA 0.498 5.238 4.740 -0.000 0.000 0.302 261 N C -0.094 175.430 175.510 0.023 0.000 1.106 261 N CA -0.435 52.613 53.050 -0.002 0.000 0.778 261 N CB 1.460 39.952 38.487 0.010 0.000 1.431 261 N HN 0.059 nan 8.380 nan 0.000 0.479 262 I N 2.280 122.720 120.570 -0.217 0.000 2.331 262 I HA 0.274 4.444 4.170 -0.000 0.000 0.292 262 I C -0.724 175.176 176.117 -0.362 0.000 0.998 262 I CA -0.528 60.624 61.300 -0.246 0.000 1.267 262 I CB 0.380 38.119 38.000 -0.435 0.000 1.386 262 I HN 0.274 nan 8.210 nan 0.000 0.476 263 Y N 5.696 125.725 120.300 -0.452 0.000 2.446 263 Y HA 0.464 5.014 4.550 -0.000 0.000 0.338 263 Y C -0.484 175.097 175.900 -0.531 0.000 1.055 263 Y CA -0.706 57.042 58.100 -0.586 0.000 1.101 263 Y CB 1.437 39.254 38.460 -1.071 0.000 1.221 263 Y HN 0.378 nan 8.280 nan 0.000 0.460 264 Y N 1.478 121.595 120.300 -0.304 0.000 2.462 264 Y HA 0.681 5.231 4.550 -0.000 0.000 0.346 264 Y C -1.343 174.514 175.900 -0.072 0.000 0.976 264 Y CA -1.810 56.181 58.100 -0.182 0.000 1.044 264 Y CB 1.498 39.880 38.460 -0.130 0.000 1.230 264 Y HN 0.699 nan 8.280 nan 0.000 0.455 265 C N 5.578 124.441 119.300 -0.729 0.000 2.442 265 C HA 0.664 5.124 4.460 -0.000 0.000 0.335 265 C C 1.096 175.633 174.990 -0.757 0.000 1.134 265 C CA -0.077 58.600 59.018 -0.570 0.000 1.344 265 C CB 0.297 27.917 27.740 -0.201 0.000 1.956 265 C HN 1.071 nan 8.230 nan 0.000 0.438 266 A N 1.811 124.216 122.820 -0.691 0.000 1.843 266 A HA -0.005 4.315 4.320 -0.000 0.000 0.213 266 A C 0.821 178.403 177.584 -0.004 0.000 1.202 266 A CA 1.375 53.249 52.037 -0.272 0.000 0.607 266 A CB -0.506 18.483 19.000 -0.019 0.000 0.847 266 A HN 0.904 nan 8.150 nan 0.000 0.445 267 H N -1.512 117.502 119.070 -0.093 0.000 2.481 267 H HA 0.462 5.018 4.556 -0.000 0.000 0.339 267 H C 0.986 176.271 175.328 -0.073 0.000 1.131 267 H CA -0.069 55.949 56.048 -0.049 0.000 1.301 267 H CB 1.337 31.083 29.762 -0.027 0.000 1.476 267 H HN -0.106 nan 8.280 nan 0.000 0.529 268 V N 3.647 123.220 119.914 -0.568 0.000 2.392 268 V HA -0.187 3.933 4.120 -0.000 0.000 0.249 268 V C 2.149 177.999 176.094 -0.406 0.000 1.059 268 V CA 2.549 64.541 62.300 -0.513 0.000 1.051 268 V CB -0.787 30.515 31.823 -0.868 0.000 0.658 268 V HN 1.016 nan 8.190 nan 0.000 0.455 269 G N -0.839 107.635 108.800 -0.543 0.000 2.464 269 G HA2 -0.146 3.814 3.960 -0.000 0.000 0.217 269 G HA3 -0.146 3.814 3.960 -0.000 0.000 0.217 269 G C 0.856 175.750 174.900 -0.011 0.000 1.138 269 G CA 0.073 45.077 45.100 -0.160 0.000 0.793 269 G HN 0.455 nan 8.290 nan 0.000 0.539 270 K N 1.204 121.632 120.400 0.046 0.000 2.559 270 K HA 0.048 4.368 4.320 -0.000 0.000 0.279 270 K C 0.798 177.404 176.600 0.011 0.000 0.967 270 K CA 0.051 56.375 56.287 0.062 0.000 1.000 270 K CB 0.236 32.770 32.500 0.058 0.000 0.890 270 K HN 0.483 nan 8.250 nan 0.000 0.501 271 Q N 2.467 122.282 119.800 0.024 0.000 2.259 271 Q HA 0.514 4.854 4.340 -0.000 0.000 0.246 271 Q C -0.587 175.434 176.000 0.036 0.000 0.920 271 Q CA -0.779 55.044 55.803 0.033 0.000 0.895 271 Q CB 1.446 30.208 28.738 0.041 0.000 1.220 271 Q HN 0.586 nan 8.270 nan 0.000 0.439 272 A N 3.502 126.371 122.820 0.082 0.000 2.466 272 A HA 0.374 4.694 4.320 -0.000 0.000 0.238 272 A C -0.307 177.338 177.584 0.102 0.000 1.074 272 A CA -0.163 51.929 52.037 0.092 0.000 0.774 272 A CB 0.088 19.229 19.000 0.235 0.000 1.015 272 A HN 0.685 nan 8.150 nan 0.000 0.498 273 I N 1.192 121.791 120.570 0.050 0.000 2.498 273 I HA 0.333 4.503 4.170 -0.000 0.000 0.290 273 I C 0.432 176.472 176.117 -0.128 0.000 1.032 273 I CA -0.423 60.883 61.300 0.010 0.000 1.073 273 I CB 1.665 39.678 38.000 0.023 0.000 1.251 273 I HN 0.796 nan 8.210 nan 0.000 0.426 274 R N 4.453 124.791 120.500 -0.270 0.000 2.441 274 R HA 0.267 4.607 4.340 -0.000 0.000 0.300 274 R C 0.728 176.795 176.300 -0.388 0.000 1.284 274 R CA -0.124 55.593 56.100 -0.639 0.000 1.069 274 R CB 0.399 30.298 30.300 -0.668 0.000 1.087 274 R HN 0.558 nan 8.270 nan 0.000 0.519 275 V N 3.179 122.884 119.914 -0.348 0.000 2.343 275 V HA -0.118 4.002 4.120 -0.000 0.000 0.247 275 V C 0.894 176.815 176.094 -0.288 0.000 1.051 275 V CA 1.323 63.464 62.300 -0.265 0.000 1.036 275 V CB -0.127 31.533 31.823 -0.272 0.000 0.654 275 V HN 0.423 nan 8.190 nan 0.000 0.451 276 V N -0.002 119.692 119.914 -0.367 0.000 2.588 276 V HA 0.606 4.726 4.120 -0.000 0.000 0.304 276 V C 0.338 176.263 176.094 -0.283 0.000 1.042 276 V CA 0.411 62.519 62.300 -0.320 0.000 0.877 276 V CB 2.275 33.819 31.823 -0.466 0.000 0.996 276 V HN 0.408 nan 8.190 nan 0.000 0.425 277 S N 1.416 117.001 115.700 -0.193 0.000 2.937 277 S HA 0.026 4.496 4.470 -0.000 0.000 0.252 277 S C 0.966 175.513 174.600 -0.089 0.000 1.022 277 S CA 0.363 58.473 58.200 -0.150 0.000 1.079 277 S CB 0.162 63.279 63.200 -0.138 0.000 1.035 277 S HN 1.073 nan 8.310 nan 0.000 0.594 278 T N -0.567 113.940 114.554 -0.078 0.000 3.194 278 T HA 0.314 4.664 4.350 -0.000 0.000 0.251 278 T C 0.976 175.655 174.700 -0.035 0.000 1.132 278 T CA 0.214 62.287 62.100 -0.046 0.000 1.028 278 T CB -0.467 68.381 68.868 -0.034 0.000 0.976 278 T HN 0.449 nan 8.240 nan 0.000 0.535 279 G N 0.957 109.728 108.800 -0.048 0.000 2.441 279 G HA2 0.418 4.378 3.960 -0.000 0.000 0.243 279 G HA3 0.418 4.378 3.960 -0.000 0.000 0.243 279 G C -0.720 174.139 174.900 -0.070 0.000 1.281 279 G CA -0.761 44.305 45.100 -0.056 0.000 0.854 279 G HN 0.509 nan 8.290 nan 0.000 0.560 280 K N 2.063 122.402 120.400 -0.102 0.000 2.668 280 K HA 0.134 4.454 4.320 -0.000 0.000 0.246 280 K C -0.303 176.200 176.600 -0.161 0.000 0.976 280 K CA -0.630 55.599 56.287 -0.097 0.000 0.902 280 K CB 0.931 33.400 32.500 -0.053 0.000 1.172 280 K HN 0.411 nan 8.250 nan 0.000 0.452 281 E N 1.926 122.030 120.200 -0.161 0.000 3.131 281 E HA -0.152 4.198 4.350 -0.000 0.000 0.258 281 E C 0.985 177.503 176.600 -0.136 0.000 0.901 281 E CA 2.024 58.316 56.400 -0.180 0.000 0.964 281 E CB 0.259 29.887 29.700 -0.119 0.000 0.903 281 E HN 0.983 nan 8.360 nan 0.000 0.537 282 G N 2.035 110.693 108.800 -0.237 0.000 2.196 282 G HA2 -0.343 3.617 3.960 -0.000 0.000 0.268 282 G HA3 -0.343 3.617 3.960 -0.000 0.000 0.268 282 G C 0.852 175.887 174.900 0.226 0.000 0.975 282 G CA 0.552 45.692 45.100 0.067 0.000 0.648 282 G HN 0.427 nan 8.290 nan 0.000 0.538 283 V N -0.495 119.408 119.914 -0.019 0.000 3.159 283 V HA 0.415 4.535 4.120 -0.000 0.000 0.234 283 V C 0.701 176.816 176.094 0.035 0.000 1.313 283 V CA 0.693 63.029 62.300 0.061 0.000 1.271 283 V CB 0.516 32.372 31.823 0.055 0.000 1.053 283 V HN 0.231 nan 8.190 nan 0.000 0.476 284 I N 1.521 122.045 120.570 -0.077 0.000 2.437 284 I HA 0.433 4.603 4.170 -0.000 0.000 0.279 284 I C -1.276 174.816 176.117 -0.042 0.000 1.028 284 I CA -0.714 60.590 61.300 0.005 0.000 1.142 284 I CB 0.586 38.582 38.000 -0.008 0.000 1.266 284 I HN 0.178 nan 8.210 nan 0.000 0.461 285 Y N 5.070 125.398 120.300 0.047 0.000 2.342 285 Y HA 0.454 5.004 4.550 -0.000 0.000 0.334 285 Y C 0.636 176.580 175.900 0.073 0.000 1.067 285 Y CA -0.889 57.252 58.100 0.068 0.000 1.128 285 Y CB 1.212 39.726 38.460 0.091 0.000 1.200 285 Y HN 0.508 nan 8.280 nan 0.000 0.464 286 N N 0.712 119.545 118.700 0.222 0.000 2.454 286 N HA 0.500 5.240 4.740 -0.000 0.000 0.291 286 N C 0.245 175.846 175.510 0.153 0.000 1.079 286 N CA -0.481 52.715 53.050 0.243 0.000 0.893 286 N CB 2.319 40.979 38.487 0.289 0.000 1.512 286 N HN 0.811 nan 8.380 nan 0.000 0.497 287 G N 1.224 110.135 108.800 0.184 0.000 2.259 287 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.217 287 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.217 287 G C -0.390 174.559 174.900 0.081 0.000 1.001 287 G CA -0.135 45.009 45.100 0.073 0.000 0.627 287 G HN 0.478 nan 8.290 nan 0.000 0.501 288 L N 1.016 122.315 121.223 0.128 0.000 2.350 288 L HA 0.694 5.034 4.340 -0.000 0.000 0.260 288 L C 0.353 177.349 176.870 0.210 0.000 1.015 288 L CA -1.038 53.898 54.840 0.160 0.000 0.821 288 L CB 2.210 44.368 42.059 0.167 0.000 1.370 288 L HN 0.121 nan 8.230 nan 0.000 0.416 289 S N 0.152 116.007 115.700 0.259 0.000 2.614 289 S HA 0.197 4.667 4.470 -0.000 0.000 0.265 289 S C -0.601 173.944 174.600 -0.091 0.000 1.303 289 S CA -0.797 57.469 58.200 0.110 0.000 1.000 289 S CB 0.854 64.135 63.200 0.134 0.000 0.935 289 S HN 0.704 nan 8.310 nan 0.000 0.551 290 D N -0.625 119.563 120.400 -0.355 0.000 2.529 290 D HA 0.058 4.698 4.640 -0.000 0.000 0.273 290 D C 0.946 177.080 176.300 -0.278 0.000 1.197 290 D CA -0.785 52.813 54.000 -0.670 0.000 1.070 290 D CB 0.276 40.706 40.800 -0.618 0.000 1.134 290 D HN 0.560 nan 8.370 nan 0.000 0.590 291 W N 0.273 121.338 121.300 -0.391 0.000 2.304 291 W HA -0.247 4.413 4.660 -0.000 0.000 0.328 291 W C 2.247 178.564 176.519 -0.337 0.000 1.242 291 W CA 1.992 59.014 57.345 -0.539 0.000 1.243 291 W CB -0.809 28.412 29.460 -0.399 0.000 1.170 291 W HN 0.377 nan 8.180 nan 0.000 0.460 292 L N -0.102 121.034 121.223 -0.145 0.000 2.051 292 L HA -0.290 4.050 4.340 -0.000 0.000 0.214 292 L C 2.311 178.914 176.870 -0.446 0.000 1.076 292 L CA 2.103 56.715 54.840 -0.380 0.000 0.758 292 L CB -1.444 40.589 42.059 -0.044 0.000 0.890 292 L HN 0.167 nan 8.230 nan 0.000 0.433 293 Y N -0.199 119.882 120.300 -0.366 0.000 2.293 293 Y HA -0.200 4.350 4.550 -0.000 0.000 0.291 293 Y C 2.670 178.378 175.900 -0.321 0.000 1.137 293 Y CA 1.718 59.645 58.100 -0.288 0.000 1.202 293 Y CB -0.209 38.156 38.460 -0.158 0.000 0.990 293 Y HN 0.459 nan 8.280 nan 0.000 0.537 294 E N -0.196 119.819 120.200 -0.308 0.000 2.051 294 E HA -0.189 4.161 4.350 -0.000 0.000 0.189 294 E C 1.878 178.185 176.600 -0.489 0.000 0.979 294 E CA 1.101 57.283 56.400 -0.364 0.000 0.803 294 E CB 0.065 29.485 29.700 -0.466 0.000 0.761 294 E HN 0.253 nan 8.360 nan 0.000 0.451 295 E N 0.030 119.756 120.200 -0.790 0.000 2.112 295 E HA -0.107 4.243 4.350 -0.000 0.000 0.190 295 E C 1.508 177.779 176.600 -0.549 0.000 0.979 295 E CA 1.164 57.107 56.400 -0.761 0.000 0.814 295 E CB 0.255 29.125 29.700 -1.384 0.000 0.762 295 E HN 0.146 nan 8.360 nan 0.000 0.460 296 E N -1.225 118.602 120.200 -0.621 0.000 2.279 296 E HA 0.124 4.474 4.350 -0.000 0.000 0.199 296 E C 1.730 178.071 176.600 -0.431 0.000 0.893 296 E CA 0.730 56.862 56.400 -0.448 0.000 0.978 296 E CB -0.015 29.403 29.700 -0.470 0.000 0.964 296 E HN 0.288 nan 8.360 nan 0.000 0.486 297 I N -1.211 119.007 120.570 -0.587 0.000 2.703 297 I HA 0.151 4.321 4.170 -0.000 0.000 0.259 297 I C 1.525 177.381 176.117 -0.435 0.000 1.151 297 I CA 1.216 62.133 61.300 -0.639 0.000 1.470 297 I CB 0.014 37.361 38.000 -1.089 0.000 1.112 297 I HN 0.075 nan 8.210 nan 0.000 0.437 298 L N 0.000 121.021 121.223 -0.338 0.000 2.515 298 L HA 0.252 4.592 4.340 -0.000 0.000 0.223 298 L C 0.595 177.435 176.870 -0.050 0.000 1.079 298 L CA 0.062 54.833 54.840 -0.115 0.000 0.857 298 L CB 0.024 42.117 42.059 0.056 0.000 1.050 298 L HN 0.152 nan 8.230 nan 0.000 0.476 299 K N 1.168 121.506 120.400 -0.103 0.000 3.160 299 K HA -0.137 4.183 4.320 -0.000 0.000 0.280 299 K C -0.390 176.265 176.600 0.092 0.000 1.154 299 K CA 0.999 57.265 56.287 -0.034 0.000 0.822 299 K CB -2.383 30.116 32.500 -0.000 0.000 1.239 299 K HN 0.471 nan 8.250 nan 0.000 0.489 300 T N -3.332 111.266 114.554 0.074 0.000 2.853 300 T HA 0.290 4.640 4.350 -0.000 0.000 0.311 300 T C 0.477 175.264 174.700 0.145 0.000 1.307 300 T CA -0.780 61.434 62.100 0.190 0.000 1.019 300 T CB 1.788 70.782 68.868 0.210 0.000 1.264 300 T HN 0.264 nan 8.240 nan 0.000 0.497 301 H N 0.073 119.205 119.070 0.103 0.000 2.547 301 H HA 0.342 4.898 4.556 -0.000 0.000 0.272 301 H C 0.873 176.277 175.328 0.127 0.000 0.971 301 H CA -0.148 55.959 56.048 0.097 0.000 1.245 301 H CB 0.307 30.124 29.762 0.092 0.000 1.440 301 H HN 0.409 nan 8.280 nan 0.000 0.540 302 I N 1.705 122.418 120.570 0.239 0.000 2.471 302 I HA 0.192 4.362 4.170 -0.000 0.000 0.286 302 I C -0.354 175.628 176.117 -0.226 0.000 1.079 302 I CA 0.286 61.538 61.300 -0.079 0.000 1.398 302 I CB 0.621 38.507 38.000 -0.190 0.000 1.403 302 I HN 0.142 nan 8.210 nan 0.000 0.530 303 A N 8.224 130.829 122.820 -0.359 0.000 2.959 303 A HA 0.377 4.697 4.320 -0.000 0.000 0.280 303 A C -0.349 176.600 177.584 -1.058 0.000 0.953 303 A CA -0.495 51.222 52.037 -0.534 0.000 1.047 303 A CB -0.326 18.631 19.000 -0.070 0.000 1.147 303 A HN 0.888 nan 8.150 nan 0.000 0.489 304 H N -2.618 115.577 119.070 -1.458 0.000 2.961 304 H HA 0.648 5.204 4.556 -0.000 0.000 0.371 304 H C -1.932 172.718 175.328 -1.130 0.000 1.190 304 H CA -1.405 53.996 56.048 -1.078 0.000 1.138 304 H CB 1.145 30.630 29.762 -0.461 0.000 1.816 304 H HN 0.369 nan 8.280 nan 0.000 0.551 305 W N 1.507 122.969 121.300 0.270 0.000 3.132 305 W HA 0.143 4.803 4.660 -0.000 0.000 0.337 305 W C -1.738 175.125 176.519 0.572 0.000 1.082 305 W CA -1.046 56.541 57.345 0.404 0.000 1.242 305 W CB 1.365 31.051 29.460 0.376 0.000 1.354 305 W HN 0.542 nan 8.180 nan 0.000 0.461 306 W N 2.125 123.706 121.300 0.468 0.000 2.251 306 W HA 0.344 5.004 4.660 -0.000 0.000 0.329 306 W C 1.141 177.463 176.519 -0.329 0.000 1.234 306 W CA 0.021 57.459 57.345 0.156 0.000 1.228 306 W CB 0.587 30.109 29.460 0.102 0.000 1.135 306 W HN 0.173 nan 8.180 nan 0.000 0.576 307 S N 2.048 117.354 115.700 -0.656 0.000 2.584 307 S HA 0.162 4.632 4.470 -0.000 0.000 0.270 307 S C -1.784 172.531 174.600 -0.474 0.000 1.346 307 S CA -0.876 56.442 58.200 -1.470 0.000 1.018 307 S CB 1.019 63.438 63.200 -1.301 0.000 0.899 307 S HN 0.287 nan 8.310 nan 0.000 0.542 308 P HA -0.110 nan 4.420 nan 0.000 0.216 308 P C 0.625 177.888 177.300 -0.061 0.000 1.150 308 P CA 1.456 64.503 63.100 -0.089 0.000 0.837 308 P CB -0.153 31.529 31.700 -0.029 0.000 0.786 309 D N -2.049 118.298 120.400 -0.089 0.000 2.328 309 D HA 0.115 4.755 4.640 -0.000 0.000 0.221 309 D C 1.208 177.506 176.300 -0.004 0.000 1.072 309 D CA 0.208 54.187 54.000 -0.035 0.000 0.850 309 D CB -1.254 39.528 40.800 -0.030 0.000 0.922 309 D HN 0.129 nan 8.370 nan 0.000 0.516 310 G N -0.035 108.772 108.800 0.012 0.000 2.258 310 G HA2 -0.346 3.614 3.960 -0.000 0.000 0.274 310 G HA3 -0.346 3.614 3.960 -0.000 0.000 0.274 310 G C 0.847 175.831 174.900 0.140 0.000 1.021 310 G CA 1.062 46.252 45.100 0.150 0.000 0.798 310 G HN 0.419 nan 8.290 nan 0.000 0.507 311 T N -1.266 113.300 114.554 0.020 0.000 3.034 311 T HA 0.254 4.604 4.350 -0.000 0.000 0.248 311 T C 1.235 175.913 174.700 -0.035 0.000 1.040 311 T CA 0.576 62.679 62.100 0.005 0.000 1.107 311 T CB 0.594 69.457 68.868 -0.010 0.000 0.932 311 T HN 0.463 nan 8.240 nan 0.000 0.474 312 R N 0.568 121.009 120.500 -0.098 0.000 2.740 312 R HA 0.677 5.017 4.340 -0.000 0.000 0.282 312 R C -1.794 174.476 176.300 -0.049 0.000 0.969 312 R CA -0.865 55.201 56.100 -0.057 0.000 0.918 312 R CB 2.048 32.350 30.300 0.004 0.000 1.175 312 R HN 0.048 nan 8.270 nan 0.000 0.464 313 L N 1.730 122.978 121.223 0.042 0.000 2.349 313 L HA 0.611 4.951 4.340 -0.000 0.000 0.278 313 L C -1.063 176.018 176.870 0.352 0.000 0.996 313 L CA -0.236 54.628 54.840 0.040 0.000 0.825 313 L CB 1.790 43.633 42.059 -0.360 0.000 1.243 313 L HN 0.792 nan 8.230 nan 0.000 0.412 314 A N 4.586 127.762 122.820 0.593 0.000 2.312 314 A HA 0.774 5.094 4.320 -0.000 0.000 0.326 314 A C -1.569 176.361 177.584 0.578 0.000 1.172 314 A CA -0.276 52.096 52.037 0.559 0.000 0.821 314 A CB 0.618 19.907 19.000 0.483 0.000 1.166 314 A HN 0.884 nan 8.150 nan 0.000 0.493 315 Y N -0.940 119.546 120.300 0.310 0.000 2.519 315 Y HA 0.705 5.255 4.550 -0.000 0.000 0.336 315 Y C -0.264 175.790 175.900 0.257 0.000 1.089 315 Y CA -1.043 57.169 58.100 0.188 0.000 1.025 315 Y CB 0.683 39.163 38.460 0.033 0.000 1.318 315 Y HN 0.916 nan 8.280 nan 0.000 0.452 316 A N 2.329 125.288 122.820 0.233 0.000 2.340 316 A HA 0.821 5.141 4.320 -0.000 0.000 0.268 316 A C -0.283 177.393 177.584 0.154 0.000 1.100 316 A CA -0.167 51.958 52.037 0.148 0.000 0.803 316 A CB -0.002 19.121 19.000 0.204 0.000 1.043 316 A HN 1.626 nan 8.150 nan 0.000 0.488 317 A N 2.772 125.655 122.820 0.105 0.000 2.323 317 A HA 0.630 4.950 4.320 -0.000 0.000 0.305 317 A C -0.501 177.121 177.584 0.064 0.000 1.275 317 A CA -0.319 51.827 52.037 0.181 0.000 0.804 317 A CB 0.133 19.311 19.000 0.297 0.000 1.152 317 A HN 0.704 nan 8.150 nan 0.000 0.487 318 I N 2.589 123.184 120.570 0.041 0.000 2.336 318 I HA 0.249 4.419 4.170 -0.000 0.000 0.292 318 I C -0.139 176.011 176.117 0.056 0.000 0.991 318 I CA -0.624 60.641 61.300 -0.059 0.000 1.227 318 I CB 1.610 39.479 38.000 -0.218 0.000 1.366 318 I HN 0.610 nan 8.210 nan 0.000 0.466 319 N N 5.506 124.210 118.700 0.007 0.000 2.511 319 N HA 0.190 4.930 4.740 -0.000 0.000 0.249 319 N C -0.297 175.198 175.510 -0.024 0.000 0.971 319 N CA -0.269 52.792 53.050 0.018 0.000 0.938 319 N CB 1.162 39.653 38.487 0.006 0.000 1.131 319 N HN 0.453 nan 8.380 nan 0.000 0.505 320 D N 1.157 121.528 120.400 -0.048 0.000 2.340 320 D HA -0.035 4.605 4.640 -0.000 0.000 0.217 320 D C 1.488 177.549 176.300 -0.398 0.000 1.081 320 D CA 0.140 54.014 54.000 -0.210 0.000 0.842 320 D CB 0.350 41.007 40.800 -0.238 0.000 0.934 320 D HN 0.547 nan 8.370 nan 0.000 0.511 321 S N 1.102 116.680 115.700 -0.203 0.000 2.381 321 S HA -0.232 4.237 4.470 -0.000 0.000 0.230 321 S C 1.598 176.162 174.600 -0.059 0.000 1.052 321 S CA 1.285 59.414 58.200 -0.118 0.000 1.068 321 S CB 0.064 63.241 63.200 -0.039 0.000 0.918 321 S HN 0.276 nan 8.310 nan 0.000 0.448 322 R N 0.156 120.630 120.500 -0.043 0.000 2.427 322 R HA 0.292 4.632 4.340 -0.000 0.000 0.262 322 R C -0.469 175.849 176.300 0.030 0.000 0.943 322 R CA -0.194 55.909 56.100 0.005 0.000 1.081 322 R CB 0.551 30.851 30.300 0.001 0.000 1.166 322 R HN 0.238 nan 8.270 nan 0.000 0.534 323 V N 2.857 122.786 119.914 0.025 0.000 2.546 323 V HA 0.184 4.304 4.120 -0.000 0.000 0.284 323 V C -2.006 174.232 176.094 0.241 0.000 1.050 323 V CA -2.101 60.262 62.300 0.106 0.000 0.981 323 V CB 1.362 33.239 31.823 0.090 0.000 0.990 323 V HN -0.021 nan 8.190 nan 0.000 0.474 324 P HA 0.168 nan 4.420 nan 0.000 0.268 324 P C -0.518 176.832 177.300 0.084 0.000 1.208 324 P CA 0.057 63.222 63.100 0.108 0.000 0.777 324 P CB 0.508 32.249 31.700 0.067 0.000 0.875 325 I N 2.460 123.008 120.570 -0.038 0.000 2.355 325 I HA 0.471 4.641 4.170 -0.000 0.000 0.288 325 I C -0.580 175.415 176.117 -0.204 0.000 0.999 325 I CA -1.236 59.935 61.300 -0.215 0.000 1.163 325 I CB 1.016 38.823 38.000 -0.323 0.000 1.316 325 I HN 0.189 nan 8.210 nan 0.000 0.454 326 M N 7.389 126.801 119.600 -0.314 0.000 2.216 326 M HA 0.364 4.844 4.480 -0.000 0.000 0.356 326 M C -0.824 175.349 176.300 -0.213 0.000 1.205 326 M CA 0.518 55.615 55.300 -0.338 0.000 1.122 326 M CB 0.782 33.026 32.600 -0.594 0.000 1.571 326 M HN 0.543 nan 8.290 nan 0.000 0.464 327 E N 3.840 123.942 120.200 -0.164 0.000 2.174 327 E HA 0.403 4.753 4.350 -0.000 0.000 0.282 327 E C -1.476 175.073 176.600 -0.085 0.000 0.992 327 E CA -0.719 55.631 56.400 -0.083 0.000 0.803 327 E CB 1.252 30.902 29.700 -0.084 0.000 1.090 327 E HN 0.488 nan 8.360 nan 0.000 0.396 328 L N 5.774 126.985 121.223 -0.021 0.000 2.282 328 L HA 0.317 4.657 4.340 -0.000 0.000 0.288 328 L C -2.167 174.661 176.870 -0.070 0.000 1.033 328 L CA -2.271 52.549 54.840 -0.034 0.000 0.807 328 L CB 0.913 42.973 42.059 0.002 0.000 1.209 328 L HN 0.366 nan 8.230 nan 0.000 0.423 329 P HA 0.130 nan 4.420 nan 0.000 0.271 329 P C -0.823 176.326 177.300 -0.252 0.000 1.216 329 P CA -0.191 62.786 63.100 -0.206 0.000 0.771 329 P CB 0.873 32.498 31.700 -0.123 0.000 0.864 330 T N 3.173 117.475 114.554 -0.420 0.000 2.876 330 T HA 0.422 4.772 4.350 -0.000 0.000 0.289 330 T C -0.378 174.048 174.700 -0.458 0.000 1.014 330 T CA 0.074 62.007 62.100 -0.279 0.000 0.986 330 T CB 0.892 69.672 68.868 -0.147 0.000 1.021 330 T HN 0.282 nan 8.240 nan 0.000 0.458 331 Y N 0.022 120.278 120.300 -0.072 0.000 2.767 331 Y HA 0.277 4.827 4.550 -0.000 0.000 0.254 331 Y C 1.789 177.647 175.900 -0.070 0.000 1.133 331 Y CA -0.535 57.520 58.100 -0.075 0.000 1.225 331 Y CB 0.835 39.238 38.460 -0.095 0.000 1.312 331 Y HN 0.599 nan 8.280 nan 0.000 0.560 332 T N -1.979 112.614 114.554 0.065 0.000 2.980 332 T HA 0.157 4.507 4.350 -0.000 0.000 0.252 332 T C 1.945 176.647 174.700 0.004 0.000 0.962 332 T CA 0.534 62.649 62.100 0.025 0.000 0.932 332 T CB 0.040 68.915 68.868 0.012 0.000 1.188 332 T HN 0.381 nan 8.240 nan 0.000 0.500 333 G N 2.918 111.716 108.800 -0.002 0.000 2.768 333 G HA2 -0.094 3.866 3.960 -0.000 0.000 0.181 333 G HA3 -0.094 3.866 3.960 -0.000 0.000 0.181 333 G C 0.985 175.888 174.900 0.005 0.000 1.477 333 G CA 1.043 46.142 45.100 -0.002 0.000 0.826 333 G HN 0.615 nan 8.290 nan 0.000 0.600 334 S N -0.468 115.241 115.700 0.016 0.000 2.625 334 S HA 0.286 4.756 4.470 -0.000 0.000 0.262 334 S C 1.456 176.074 174.600 0.030 0.000 1.223 334 S CA -0.278 57.943 58.200 0.035 0.000 0.993 334 S CB 0.692 63.929 63.200 0.061 0.000 1.051 334 S HN 0.116 nan 8.310 nan 0.000 0.562 335 I N -0.458 120.148 120.570 0.060 0.000 2.315 335 I HA 0.025 4.195 4.170 -0.000 0.000 0.248 335 I C 0.172 176.214 176.117 -0.124 0.000 1.117 335 I CA 1.017 62.309 61.300 -0.013 0.000 1.404 335 I CB -0.637 37.395 38.000 0.053 0.000 1.071 335 I HN 0.527 nan 8.210 nan 0.000 0.419 336 Y N 2.456 122.744 120.300 -0.020 0.000 2.841 336 Y HA 0.348 4.898 4.550 -0.000 0.000 0.329 336 Y C -1.909 173.965 175.900 -0.043 0.000 1.062 336 Y CA -3.337 54.745 58.100 -0.029 0.000 1.281 336 Y CB -0.398 38.046 38.460 -0.027 0.000 1.147 336 Y HN 0.045 nan 8.280 nan 0.000 0.521 337 P HA 0.060 nan 4.420 nan 0.000 0.269 337 P C -0.027 177.248 177.300 -0.041 0.000 1.215 337 P CA 0.064 63.147 63.100 -0.029 0.000 0.780 337 P CB 1.830 33.476 31.700 -0.091 0.000 0.898 338 T N -0.048 114.472 114.554 -0.056 0.000 2.901 338 T HA 0.453 4.803 4.350 -0.000 0.000 0.293 338 T C -0.237 174.411 174.700 -0.087 0.000 1.084 338 T CA -0.760 61.304 62.100 -0.059 0.000 1.008 338 T CB 1.128 69.980 68.868 -0.027 0.000 1.170 338 T HN 0.333 nan 8.240 nan 0.000 0.509 339 V N 1.875 121.738 119.914 -0.084 0.000 3.003 339 V HA 0.672 4.792 4.120 -0.000 0.000 0.305 339 V C -0.365 175.703 176.094 -0.044 0.000 1.078 339 V CA -0.556 61.696 62.300 -0.081 0.000 1.083 339 V CB 0.613 32.389 31.823 -0.077 0.000 1.039 339 V HN 0.676 nan 8.190 nan 0.000 0.481 340 K N 4.525 124.908 120.400 -0.029 0.000 2.316 340 K HA 0.541 4.861 4.320 -0.000 0.000 0.267 340 K C -2.664 173.974 176.600 0.063 0.000 1.025 340 K CA -1.802 54.487 56.287 0.004 0.000 0.896 340 K CB 1.801 34.292 32.500 -0.016 0.000 1.124 340 K HN 0.664 nan 8.250 nan 0.000 0.451 341 P HA 0.392 nan 4.420 nan 0.000 0.287 341 P C -1.195 176.253 177.300 0.246 0.000 1.270 341 P CA -0.462 62.700 63.100 0.102 0.000 0.844 341 P CB 0.898 32.602 31.700 0.007 0.000 1.068 342 Y N -2.035 118.222 120.300 -0.072 0.000 2.661 342 Y HA 0.313 4.863 4.550 -0.000 0.000 0.339 342 Y C -1.167 174.702 175.900 -0.050 0.000 1.186 342 Y CA -1.140 56.962 58.100 0.003 0.000 1.137 342 Y CB 0.394 38.957 38.460 0.171 0.000 1.354 342 Y HN 0.304 nan 8.280 nan 0.000 0.469 343 H N 3.073 122.176 119.070 0.054 0.000 2.819 343 H HA 0.180 4.736 4.556 -0.000 0.000 0.303 343 H C -1.616 173.616 175.328 -0.159 0.000 1.058 343 H CA 0.450 56.473 56.048 -0.042 0.000 1.471 343 H CB 0.948 30.776 29.762 0.109 0.000 1.480 343 H HN 0.719 nan 8.280 nan 0.000 0.517 344 Y N 5.762 125.887 120.300 -0.291 0.000 2.332 344 Y HA 0.241 4.791 4.550 -0.000 0.000 0.325 344 Y C -2.731 173.122 175.900 -0.079 0.000 1.054 344 Y CA -2.656 55.270 58.100 -0.290 0.000 1.119 344 Y CB 1.962 40.042 38.460 -0.633 0.000 1.168 344 Y HN 0.392 nan 8.280 nan 0.000 0.439 345 P HA 0.253 nan 4.420 nan 0.000 0.288 345 P C -0.868 176.536 177.300 0.174 0.000 1.363 345 P CA -0.441 62.727 63.100 0.114 0.000 0.837 345 P CB 1.353 33.101 31.700 0.080 0.000 0.981 346 K N 2.376 122.943 120.400 0.279 0.000 2.187 346 K HA 0.425 4.745 4.320 -0.000 0.000 0.247 346 K C 0.649 177.383 176.600 0.225 0.000 1.019 346 K CA -0.195 56.271 56.287 0.299 0.000 0.893 346 K CB 0.007 32.652 32.500 0.243 0.000 1.025 346 K HN 0.488 nan 8.250 nan 0.000 0.500 347 A N 0.842 123.818 122.820 0.262 0.000 2.567 347 A HA 0.375 4.694 4.320 -0.000 0.000 0.240 347 A C 1.289 178.995 177.584 0.204 0.000 1.053 347 A CA 0.943 53.130 52.037 0.251 0.000 0.755 347 A CB -1.121 18.095 19.000 0.360 0.000 0.978 347 A HN 0.883 nan 8.150 nan 0.000 0.507 348 G N 1.569 110.468 108.800 0.164 0.000 2.284 348 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.247 348 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.247 348 G C 0.804 175.734 174.900 0.051 0.000 1.012 348 G CA 0.981 46.140 45.100 0.099 0.000 0.618 348 G HN 2.055 nan 8.290 nan 0.000 0.521 349 S N 0.221 115.967 115.700 0.076 0.000 2.641 349 S HA 0.570 5.040 4.470 -0.000 0.000 0.261 349 S C 0.134 174.763 174.600 0.049 0.000 1.257 349 S CA -0.268 57.967 58.200 0.057 0.000 0.983 349 S CB 1.130 64.378 63.200 0.079 0.000 0.990 349 S HN 0.472 nan 8.310 nan 0.000 0.572 350 E N 0.736 120.960 120.200 0.040 0.000 2.316 350 E HA 0.166 4.516 4.350 -0.000 0.000 0.275 350 E C -0.182 176.446 176.600 0.046 0.000 1.029 350 E CA -0.008 56.409 56.400 0.028 0.000 0.871 350 E CB 0.372 30.083 29.700 0.019 0.000 1.022 350 E HN 0.500 nan 8.360 nan 0.000 0.418 351 N N 2.801 121.523 118.700 0.037 0.000 2.476 351 N HA 0.239 4.979 4.740 -0.000 0.000 0.275 351 N C -2.333 173.214 175.510 0.061 0.000 1.190 351 N CA -1.595 51.502 53.050 0.077 0.000 0.977 351 N CB 0.806 39.353 38.487 0.100 0.000 1.200 351 N HN 0.285 nan 8.380 nan 0.000 0.515 352 P HA -0.025 nan 4.420 nan 0.000 0.268 352 P C -0.978 176.333 177.300 0.018 0.000 1.204 352 P CA 0.055 63.187 63.100 0.055 0.000 0.768 352 P CB 0.869 32.616 31.700 0.079 0.000 0.842 353 S N 3.531 119.208 115.700 -0.039 0.000 2.452 353 S HA 0.428 4.898 4.470 -0.000 0.000 0.284 353 S C -0.159 174.391 174.600 -0.083 0.000 1.171 353 S CA -0.779 57.374 58.200 -0.078 0.000 1.064 353 S CB -0.425 62.737 63.200 -0.063 0.000 0.967 353 S HN 0.424 nan 8.310 nan 0.000 0.484 354 I N 4.224 124.733 120.570 -0.101 0.000 2.750 354 I HA 0.690 4.860 4.170 -0.000 0.000 0.308 354 I C -0.629 175.498 176.117 0.017 0.000 1.016 354 I CA -0.303 60.952 61.300 -0.076 0.000 1.098 354 I CB 2.071 40.017 38.000 -0.090 0.000 1.279 354 I HN 0.808 nan 8.210 nan 0.000 0.454 355 S N 6.511 122.215 115.700 0.005 0.000 2.536 355 S HA 0.530 5.000 4.470 -0.000 0.000 0.271 355 S C -1.393 173.087 174.600 -0.201 0.000 1.134 355 S CA -0.798 57.376 58.200 -0.042 0.000 0.897 355 S CB 1.835 64.984 63.200 -0.085 0.000 1.094 355 S HN 0.540 nan 8.310 nan 0.000 0.473 356 L N 3.682 124.755 121.223 -0.250 0.000 2.295 356 L HA 0.633 4.973 4.340 -0.000 0.000 0.285 356 L C -0.764 175.787 176.870 -0.531 0.000 1.035 356 L CA 0.185 54.849 54.840 -0.293 0.000 0.806 356 L CB 0.631 42.577 42.059 -0.188 0.000 1.214 356 L HN 0.886 nan 8.230 nan 0.000 0.426 357 H N 3.660 122.512 119.070 -0.364 0.000 2.797 357 H HA 0.757 5.313 4.556 -0.000 0.000 0.372 357 H C -1.218 173.982 175.328 -0.214 0.000 1.168 357 H CA -0.721 55.099 56.048 -0.379 0.000 1.163 357 H CB 2.316 31.661 29.762 -0.696 0.000 1.778 357 H HN 0.381 nan 8.280 nan 0.000 0.551 358 V N 3.129 123.135 119.914 0.153 0.000 2.808 358 V HA 0.309 4.429 4.120 -0.000 0.000 0.308 358 V C -0.510 175.737 176.094 0.254 0.000 1.099 358 V CA -0.811 61.637 62.300 0.248 0.000 0.920 358 V CB 1.888 33.853 31.823 0.236 0.000 1.014 358 V HN 0.586 nan 8.190 nan 0.000 0.425 359 I N 1.149 121.862 120.570 0.238 0.000 2.934 359 I HA 0.982 5.152 4.170 -0.000 0.000 0.306 359 I C 0.407 176.564 176.117 0.067 0.000 1.110 359 I CA -0.851 60.532 61.300 0.138 0.000 1.019 359 I CB 1.744 39.790 38.000 0.077 0.000 1.227 359 I HN 0.621 nan 8.210 nan 0.000 0.434 360 G N 2.667 111.497 108.800 0.050 0.000 2.395 360 G HA2 0.534 4.494 3.960 -0.000 0.000 0.283 360 G HA3 0.534 4.494 3.960 -0.000 0.000 0.283 360 G C 0.059 174.924 174.900 -0.058 0.000 1.178 360 G CA -0.670 44.442 45.100 0.019 0.000 0.837 360 G HN 0.762 nan 8.290 nan 0.000 0.518 361 L N 1.335 122.500 121.223 -0.096 0.000 2.607 361 L HA 0.221 4.561 4.340 -0.000 0.000 0.228 361 L C 0.064 176.940 176.870 0.011 0.000 1.123 361 L CA -0.191 54.524 54.840 -0.208 0.000 0.890 361 L CB -0.358 41.492 42.059 -0.350 0.000 1.103 361 L HN 0.608 nan 8.230 nan 0.000 0.468 362 N N -0.119 118.610 118.700 0.048 0.000 2.478 362 N HA 0.586 5.326 4.740 -0.000 0.000 0.291 362 N C -0.278 175.276 175.510 0.072 0.000 1.090 362 N CA 0.052 53.156 53.050 0.090 0.000 0.911 362 N CB 1.470 40.012 38.487 0.091 0.000 1.546 362 N HN 0.054 nan 8.380 nan 0.000 0.500 363 G N 1.965 110.811 108.800 0.076 0.000 2.661 363 G HA2 -0.141 3.819 3.960 -0.000 0.000 0.685 363 G HA3 -0.141 3.819 3.960 -0.000 0.000 0.685 363 G C -2.122 172.826 174.900 0.081 0.000 1.298 363 G CA -0.521 44.624 45.100 0.075 0.000 0.855 363 G HN 0.459 nan 8.290 nan 0.000 0.560 364 P HA -0.111 nan 4.420 nan 0.000 0.219 364 P C 1.283 178.615 177.300 0.054 0.000 1.147 364 P CA 3.115 66.258 63.100 0.072 0.000 0.821 364 P CB -0.306 31.460 31.700 0.109 0.000 0.771 365 T N -3.789 110.834 114.554 0.115 0.000 2.851 365 T HA -0.247 4.103 4.350 -0.000 0.000 0.470 365 T C -0.449 174.307 174.700 0.093 0.000 0.782 365 T CA -0.033 62.121 62.100 0.089 0.000 2.467 365 T CB -2.806 66.066 68.868 0.007 0.000 1.668 365 T HN 0.279 nan 8.240 nan 0.000 0.572 366 H N 2.168 121.253 119.070 0.025 0.000 2.878 366 H HA 0.464 5.020 4.556 -0.000 0.000 0.290 366 H C 0.510 175.870 175.328 0.053 0.000 1.065 366 H CA -0.033 56.036 56.048 0.034 0.000 1.477 366 H CB 0.764 30.548 29.762 0.037 0.000 1.484 366 H HN 0.552 nan 8.280 nan 0.000 0.504 367 D N 3.704 124.173 120.400 0.114 0.000 2.312 367 D HA 0.162 4.802 4.640 -0.000 0.000 0.252 367 D C -0.841 175.553 176.300 0.157 0.000 1.150 367 D CA -0.332 53.748 54.000 0.132 0.000 0.870 367 D CB 0.633 41.480 40.800 0.079 0.000 1.153 367 D HN 0.286 nan 8.370 nan 0.000 0.457 368 L N 2.790 124.123 121.223 0.184 0.000 2.381 368 L HA 0.370 4.710 4.340 -0.000 0.000 0.268 368 L C 0.269 177.246 176.870 0.179 0.000 0.997 368 L CA -0.785 54.153 54.840 0.164 0.000 0.818 368 L CB 1.938 44.071 42.059 0.122 0.000 1.310 368 L HN 0.334 nan 8.230 nan 0.000 0.416 369 E N 2.708 122.992 120.200 0.140 0.000 2.216 369 E HA 0.367 4.717 4.350 -0.000 0.000 0.279 369 E C -1.014 175.564 176.600 -0.035 0.000 0.997 369 E CA -0.809 55.578 56.400 -0.022 0.000 0.817 369 E CB 0.942 30.616 29.700 -0.044 0.000 1.096 369 E HN 0.409 nan 8.360 nan 0.000 0.393 370 M N 4.405 123.965 119.600 -0.066 0.000 2.135 370 M HA 0.183 4.663 4.480 -0.000 0.000 0.345 370 M C -0.510 175.813 176.300 0.038 0.000 1.340 370 M CA -0.441 54.863 55.300 0.006 0.000 1.162 370 M CB 0.053 32.670 32.600 0.028 0.000 1.570 370 M HN 0.598 nan 8.290 nan 0.000 0.454 371 M N 7.027 126.606 119.600 -0.035 0.000 2.239 371 M HA 0.211 4.691 4.480 -0.000 0.000 0.348 371 M C -1.784 174.320 176.300 -0.327 0.000 1.239 371 M CA -1.763 53.463 55.300 -0.123 0.000 1.114 371 M CB -0.204 32.326 32.600 -0.117 0.000 1.641 371 M HN 0.342 nan 8.290 nan 0.000 0.453 372 P HA 0.337 nan 4.420 nan 0.000 0.276 372 P C -2.551 174.215 177.300 -0.890 0.000 1.261 372 P CA -1.032 61.246 63.100 -1.371 0.000 0.800 372 P CB -0.230 30.582 31.700 -1.479 0.000 1.066 373 P HA 0.055 nan 4.420 nan 0.000 0.321 373 P C -0.225 176.833 177.300 -0.405 0.000 1.338 373 P CA 0.614 63.374 63.100 -0.568 0.000 0.764 373 P CB 0.301 31.677 31.700 -0.540 0.000 1.641 374 D N -3.919 116.310 120.400 -0.286 0.000 2.267 374 D HA 0.050 4.690 4.640 -0.000 0.000 0.297 374 D C -0.762 175.447 176.300 -0.151 0.000 1.087 374 D CA -0.067 53.815 54.000 -0.197 0.000 0.864 374 D CB -0.516 40.195 40.800 -0.149 0.000 1.557 374 D HN 0.216 nan 8.370 nan 0.000 0.523 375 D N 2.766 123.077 120.400 -0.148 0.000 4.368 375 D HA -0.105 4.535 4.640 -0.000 0.000 0.202 375 D C -1.687 174.561 176.300 -0.088 0.000 1.209 375 D CA -0.022 53.913 54.000 -0.108 0.000 0.766 375 D CB 0.351 41.086 40.800 -0.108 0.000 1.226 375 D HN 0.152 nan 8.370 nan 0.000 0.663 376 P HA -0.199 nan 4.420 nan 0.000 0.220 376 P C 0.630 177.908 177.300 -0.037 0.000 1.142 376 P CA 1.062 64.132 63.100 -0.048 0.000 0.801 376 P CB 0.047 31.723 31.700 -0.040 0.000 0.764 377 R N -1.512 118.963 120.500 -0.042 0.000 2.752 377 R HA 0.281 4.621 4.340 -0.000 0.000 0.279 377 R C 0.348 176.634 176.300 -0.022 0.000 1.212 377 R CA 0.111 56.194 56.100 -0.028 0.000 1.169 377 R CB -0.323 29.959 30.300 -0.030 0.000 1.286 377 R HN 0.092 nan 8.270 nan 0.000 0.564 378 M N 1.218 120.804 119.600 -0.023 0.000 4.981 378 M HA 0.220 4.700 4.480 -0.000 0.000 0.584 378 M C -0.214 176.121 176.300 0.059 0.000 2.270 378 M CA -0.085 55.214 55.300 -0.001 0.000 0.414 378 M CB 1.219 33.757 32.600 -0.105 0.000 1.445 378 M HN 0.123 nan 8.290 nan 0.000 0.634 379 R N 0.169 120.711 120.500 0.070 0.000 2.189 379 R HA 0.296 4.636 4.340 -0.000 0.000 0.203 379 R C 0.234 176.608 176.300 0.122 0.000 1.012 379 R CA 0.481 56.634 56.100 0.087 0.000 1.015 379 R CB 0.537 30.850 30.300 0.022 0.000 0.938 379 R HN 0.426 nan 8.270 nan 0.000 0.472 380 E N 0.541 120.785 120.200 0.074 0.000 2.185 380 E HA 0.311 4.661 4.350 -0.000 0.000 0.261 380 E C -1.366 175.206 176.600 -0.046 0.000 0.879 380 E CA -0.590 55.767 56.400 -0.072 0.000 0.756 380 E CB 1.467 31.095 29.700 -0.119 0.000 1.152 380 E HN -0.004 nan 8.360 nan 0.000 0.416 381 Y N 0.950 121.159 120.300 -0.151 0.000 2.644 381 Y HA 0.612 5.162 4.550 -0.000 0.000 0.338 381 Y C -1.628 174.190 175.900 -0.136 0.000 1.119 381 Y CA -1.274 56.739 58.100 -0.147 0.000 1.060 381 Y CB 0.816 39.320 38.460 0.074 0.000 1.294 381 Y HN 0.221 nan 8.280 nan 0.000 0.472 382 Y N 0.972 121.440 120.300 0.280 0.000 2.485 382 Y HA 0.638 5.188 4.550 -0.000 0.000 0.345 382 Y C -0.485 175.555 175.900 0.234 0.000 0.998 382 Y CA -1.767 56.440 58.100 0.179 0.000 1.059 382 Y CB 2.001 40.432 38.460 -0.047 0.000 1.234 382 Y HN 0.526 nan 8.280 nan 0.000 0.461 383 I N 2.309 123.096 120.570 0.362 0.000 2.307 383 I HA 0.138 4.308 4.170 -0.000 0.000 0.289 383 I C 0.751 176.870 176.117 0.003 0.000 1.021 383 I CA -0.130 61.186 61.300 0.027 0.000 1.224 383 I CB 1.353 39.271 38.000 -0.137 0.000 1.376 383 I HN 0.855 nan 8.210 nan 0.000 0.470 384 T N 3.497 118.004 114.554 -0.077 0.000 3.060 384 T HA 0.239 4.589 4.350 -0.000 0.000 0.249 384 T C 0.400 175.037 174.700 -0.105 0.000 1.079 384 T CA 0.012 62.058 62.100 -0.090 0.000 1.013 384 T CB 0.418 69.248 68.868 -0.065 0.000 0.975 384 T HN 0.414 nan 8.240 nan 0.000 0.518 385 M N 1.744 121.229 119.600 -0.191 0.000 2.333 385 M HA 0.512 4.992 4.480 -0.000 0.000 0.286 385 M C -2.416 173.632 176.300 -0.419 0.000 1.113 385 M CA -0.964 54.204 55.300 -0.219 0.000 0.959 385 M CB 1.831 34.369 32.600 -0.104 0.000 1.776 385 M HN 0.109 nan 8.290 nan 0.000 0.492 386 V N 4.935 124.485 119.914 -0.607 0.000 2.777 386 V HA 0.868 4.988 4.120 -0.000 0.000 0.306 386 V C -1.926 173.646 176.094 -0.871 0.000 1.112 386 V CA -0.272 61.500 62.300 -0.880 0.000 0.917 386 V CB 2.150 33.172 31.823 -1.336 0.000 1.018 386 V HN 1.044 nan 8.190 nan 0.000 0.426 387 K N 4.931 124.983 120.400 -0.580 0.000 2.546 387 K HA 0.506 4.826 4.320 -0.000 0.000 0.264 387 K C -1.957 174.446 176.600 -0.329 0.000 0.937 387 K CA -0.718 55.378 56.287 -0.319 0.000 0.833 387 K CB 1.882 34.341 32.500 -0.068 0.000 1.378 387 K HN 0.724 nan 8.250 nan 0.000 0.432 388 W N 2.565 123.792 121.300 -0.122 0.000 2.311 388 W HA 0.352 5.012 4.660 -0.000 0.000 0.310 388 W C 0.903 177.235 176.519 -0.312 0.000 1.274 388 W CA -0.169 57.083 57.345 -0.154 0.000 1.215 388 W CB 1.487 30.935 29.460 -0.020 0.000 1.227 388 W HN 0.845 nan 8.180 nan 0.000 0.523 389 A N 2.351 124.952 122.820 -0.364 0.000 1.935 389 A HA 0.126 4.446 4.320 -0.000 0.000 0.214 389 A C 1.079 178.518 177.584 -0.242 0.000 1.178 389 A CA 1.713 53.219 52.037 -0.885 0.000 0.640 389 A CB -0.373 17.856 19.000 -1.285 0.000 0.825 389 A HN 0.555 nan 8.150 nan 0.000 0.447 390 T N -5.711 108.838 114.554 -0.008 0.000 2.618 390 T HA 0.415 4.765 4.350 -0.000 0.000 0.293 390 T C 0.430 175.234 174.700 0.173 0.000 1.093 390 T CA 0.389 62.539 62.100 0.082 0.000 1.061 390 T CB 0.972 69.882 68.868 0.070 0.000 1.498 390 T HN -0.141 nan 8.240 nan 0.000 0.494 391 S N -0.374 115.380 115.700 0.091 0.000 2.575 391 S HA 0.203 4.673 4.470 -0.000 0.000 0.215 391 S C 1.351 176.011 174.600 0.100 0.000 0.966 391 S CA 0.613 58.810 58.200 -0.006 0.000 0.911 391 S CB -0.249 62.920 63.200 -0.052 0.000 0.780 391 S HN 0.836 nan 8.310 nan 0.000 0.514 392 T N 0.552 115.231 114.554 0.207 0.000 2.954 392 T HA 0.277 4.627 4.350 -0.000 0.000 0.252 392 T C -0.007 174.841 174.700 0.247 0.000 0.983 392 T CA 0.057 62.288 62.100 0.219 0.000 0.941 392 T CB 0.177 69.115 68.868 0.117 0.000 1.141 392 T HN 0.106 nan 8.240 nan 0.000 0.500 393 K N 1.280 121.803 120.400 0.205 0.000 2.207 393 K HA 0.689 5.009 4.320 -0.000 0.000 0.255 393 K C -1.586 174.977 176.600 -0.061 0.000 0.941 393 K CA -0.681 55.636 56.287 0.050 0.000 0.825 393 K CB 2.870 35.365 32.500 -0.008 0.000 1.119 393 K HN 0.041 nan 8.250 nan 0.000 0.430 394 V N 1.653 121.386 119.914 -0.301 0.000 2.638 394 V HA 0.654 4.774 4.120 -0.000 0.000 0.306 394 V C -1.181 174.656 176.094 -0.429 0.000 1.052 394 V CA -0.537 61.407 62.300 -0.592 0.000 0.885 394 V CB 1.570 32.705 31.823 -1.147 0.000 0.999 394 V HN 0.908 nan 8.190 nan 0.000 0.424 395 A N 6.080 128.650 122.820 -0.416 0.000 2.328 395 A HA 0.795 5.115 4.320 -0.000 0.000 0.284 395 A C -0.689 176.696 177.584 -0.330 0.000 1.160 395 A CA -0.325 51.552 52.037 -0.267 0.000 0.818 395 A CB 1.011 19.946 19.000 -0.108 0.000 1.087 395 A HN 1.190 nan 8.150 nan 0.000 0.504 396 V N 2.059 121.811 119.914 -0.269 0.000 2.760 396 V HA 0.494 4.614 4.120 -0.000 0.000 0.309 396 V C -0.103 175.764 176.094 -0.380 0.000 1.077 396 V CA -0.494 61.541 62.300 -0.441 0.000 0.910 396 V CB 2.324 33.793 31.823 -0.591 0.000 1.008 396 V HN 0.917 nan 8.190 nan 0.000 0.424 397 T N 3.708 118.000 114.554 -0.437 0.000 2.758 397 T HA 0.465 4.815 4.350 -0.000 0.000 0.285 397 T C -1.087 173.414 174.700 -0.332 0.000 0.981 397 T CA -0.145 61.820 62.100 -0.225 0.000 0.965 397 T CB 0.562 69.388 68.868 -0.070 0.000 0.927 397 T HN 0.557 nan 8.240 nan 0.000 0.448 398 W N 3.875 125.132 121.300 -0.071 0.000 2.329 398 W HA 0.637 5.297 4.660 -0.000 0.000 0.312 398 W C -0.551 175.963 176.519 -0.008 0.000 1.054 398 W CA -0.959 56.351 57.345 -0.058 0.000 1.245 398 W CB 0.563 29.892 29.460 -0.217 0.000 1.255 398 W HN 0.358 nan 8.180 nan 0.000 0.436 399 L N 5.748 127.125 121.223 0.256 0.000 2.322 399 L HA 0.517 4.857 4.340 -0.000 0.000 0.281 399 L C -0.088 176.920 176.870 0.231 0.000 1.014 399 L CA -0.714 54.254 54.840 0.214 0.000 0.815 399 L CB 0.644 42.827 42.059 0.206 0.000 1.247 399 L HN 0.473 nan 8.230 nan 0.000 0.421 400 N N 3.032 121.816 118.700 0.140 0.000 2.503 400 N HA 0.093 4.833 4.740 -0.000 0.000 0.267 400 N C 0.804 176.281 175.510 -0.054 0.000 1.214 400 N CA -0.256 52.832 53.050 0.062 0.000 0.959 400 N CB 0.548 39.061 38.487 0.044 0.000 1.142 400 N HN 0.712 nan 8.380 nan 0.000 0.455 401 R N 1.773 122.121 120.500 -0.253 0.000 2.140 401 R HA -0.250 4.090 4.340 -0.000 0.000 0.250 401 R C 1.535 177.815 176.300 -0.033 0.000 1.150 401 R CA 2.385 58.279 56.100 -0.343 0.000 0.966 401 R CB -1.071 29.060 30.300 -0.281 0.000 0.869 401 R HN 0.733 nan 8.270 nan 0.000 0.445 402 A N -0.085 122.729 122.820 -0.010 0.000 2.121 402 A HA -0.094 4.226 4.320 -0.000 0.000 0.218 402 A C 0.595 178.206 177.584 0.044 0.000 1.154 402 A CA 1.176 53.226 52.037 0.022 0.000 0.679 402 A CB -0.257 18.753 19.000 0.017 0.000 0.795 402 A HN 0.648 nan 8.150 nan 0.000 0.458 403 Q N -1.378 118.468 119.800 0.077 0.000 2.468 403 Q HA -0.205 4.135 4.340 -0.000 0.000 0.289 403 Q C -0.008 176.054 176.000 0.104 0.000 1.299 403 Q CA 0.654 56.522 55.803 0.109 0.000 0.838 403 Q CB -1.697 27.093 28.738 0.086 0.000 1.195 403 Q HN 0.999 nan 8.270 nan 0.000 0.456 404 N N -1.601 117.140 118.700 0.068 0.000 2.143 404 N HA 0.180 4.920 4.740 -0.000 0.000 0.222 404 N C -0.350 175.173 175.510 0.022 0.000 1.264 404 N CA 0.131 53.207 53.050 0.044 0.000 0.897 404 N CB 1.122 39.624 38.487 0.025 0.000 1.092 404 N HN 0.044 nan 8.380 nan 0.000 0.516 405 V N 0.444 120.376 119.914 0.030 0.000 2.668 405 V HA 0.513 4.633 4.120 -0.000 0.000 0.304 405 V C -0.993 175.115 176.094 0.024 0.000 1.071 405 V CA -0.741 61.563 62.300 0.007 0.000 0.894 405 V CB 1.743 33.562 31.823 -0.008 0.000 1.008 405 V HN 0.232 nan 8.190 nan 0.000 0.425 406 S N 4.821 120.521 115.700 -0.001 0.000 2.542 406 S HA 0.855 5.325 4.470 -0.000 0.000 0.293 406 S C -1.130 173.449 174.600 -0.036 0.000 1.089 406 S CA -0.503 57.707 58.200 0.016 0.000 0.961 406 S CB 1.301 64.519 63.200 0.031 0.000 1.062 406 S HN 0.577 nan 8.310 nan 0.000 0.483 407 I N 4.133 124.717 120.570 0.023 0.000 2.497 407 I HA 0.337 4.507 4.170 -0.000 0.000 0.284 407 I C -0.582 175.580 176.117 0.075 0.000 1.060 407 I CA -0.458 60.844 61.300 0.003 0.000 1.071 407 I CB 1.622 39.616 38.000 -0.009 0.000 1.216 407 I HN 0.488 nan 8.210 nan 0.000 0.442 408 L N 5.574 126.768 121.223 -0.049 0.000 2.397 408 L HA 0.475 4.815 4.340 -0.000 0.000 0.271 408 L C -0.289 176.587 176.870 0.011 0.000 1.148 408 L CA 0.602 55.396 54.840 -0.076 0.000 0.825 408 L CB 1.299 43.218 42.059 -0.235 0.000 1.117 408 L HN 0.593 nan 8.230 nan 0.000 0.456 409 T N 4.646 119.218 114.554 0.030 0.000 2.956 409 T HA 0.414 4.764 4.350 -0.000 0.000 0.312 409 T C -0.917 173.791 174.700 0.013 0.000 1.151 409 T CA -0.487 61.656 62.100 0.072 0.000 1.024 409 T CB 1.636 70.660 68.868 0.261 0.000 1.140 409 T HN 0.373 nan 8.240 nan 0.000 0.473 410 L N 2.562 123.791 121.223 0.010 0.000 2.298 410 L HA 0.571 4.911 4.340 -0.000 0.000 0.284 410 L C -0.581 176.276 176.870 -0.023 0.000 1.013 410 L CA -0.614 54.214 54.840 -0.020 0.000 0.824 410 L CB 0.771 42.845 42.059 0.025 0.000 1.221 410 L HN 0.732 nan 8.230 nan 0.000 0.418 411 c N 1.331 119.895 118.600 -0.060 0.000 2.454 411 c HA 0.359 4.929 4.570 -0.000 0.000 0.336 411 c C 0.111 174.173 174.090 -0.046 0.000 1.189 411 c CA -1.027 55.275 56.329 -0.047 0.000 1.877 411 c CB 1.640 44.120 42.510 -0.050 0.000 2.348 411 c HN 0.602 nan 8.230 nan 0.000 0.508 412 D N 1.185 121.577 120.400 -0.013 0.000 2.380 412 D HA 0.302 4.941 4.640 -0.000 0.000 0.230 412 D C 0.767 177.090 176.300 0.037 0.000 1.154 412 D CA 0.024 54.035 54.000 0.019 0.000 0.859 412 D CB 1.445 42.259 40.800 0.023 0.000 1.045 412 D HN 0.743 nan 8.370 nan 0.000 0.495 413 A N 3.050 125.919 122.820 0.081 0.000 2.292 413 A HA -0.101 4.219 4.320 -0.000 0.000 0.209 413 A C 1.537 179.203 177.584 0.136 0.000 1.209 413 A CA 1.569 53.694 52.037 0.147 0.000 0.746 413 A CB -0.400 18.831 19.000 0.384 0.000 0.764 413 A HN 0.606 nan 8.150 nan 0.000 0.492 414 T N -7.602 107.006 114.554 0.089 0.000 3.041 414 T HA 0.139 4.489 4.350 -0.000 0.000 0.276 414 T C 1.202 175.928 174.700 0.044 0.000 0.948 414 T CA 0.873 63.014 62.100 0.067 0.000 0.885 414 T CB 0.253 69.154 68.868 0.055 0.000 1.175 414 T HN 0.120 nan 8.240 nan 0.000 0.529 415 T N 0.498 115.074 114.554 0.038 0.000 3.085 415 T HA 0.520 4.870 4.350 -0.000 0.000 0.241 415 T C 1.782 176.494 174.700 0.021 0.000 0.988 415 T CA 0.662 62.776 62.100 0.023 0.000 1.117 415 T CB -0.049 68.828 68.868 0.013 0.000 0.978 415 T HN 0.750 nan 8.240 nan 0.000 0.454 416 G N 1.249 110.059 108.800 0.017 0.000 2.176 416 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.232 416 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.232 416 G C 0.161 175.053 174.900 -0.013 0.000 0.986 416 G CA -0.049 45.055 45.100 0.008 0.000 0.643 416 G HN 0.544 nan 8.290 nan 0.000 0.522 417 V N 1.460 121.364 119.914 -0.016 0.000 2.432 417 V HA 0.440 4.560 4.120 -0.000 0.000 0.271 417 V C 0.861 176.933 176.094 -0.035 0.000 1.046 417 V CA -0.355 61.925 62.300 -0.033 0.000 0.945 417 V CB 1.035 32.842 31.823 -0.027 0.000 0.992 417 V HN 0.429 nan 8.190 nan 0.000 0.471 418 c N 4.188 122.753 118.600 -0.059 0.000 2.341 418 c HA 0.669 5.239 4.570 -0.000 0.000 0.338 418 c C 0.706 174.754 174.090 -0.069 0.000 1.257 418 c CA -0.421 55.880 56.329 -0.047 0.000 1.883 418 c CB 1.045 43.531 42.510 -0.040 0.000 2.334 418 c HN 0.886 nan 8.230 nan 0.000 0.524 419 T N 2.640 117.171 114.554 -0.038 0.000 2.807 419 T HA 0.281 4.631 4.350 -0.000 0.000 0.279 419 T C -0.241 174.441 174.700 -0.029 0.000 0.993 419 T CA -0.512 61.564 62.100 -0.039 0.000 0.970 419 T CB 1.040 69.898 68.868 -0.015 0.000 0.950 419 T HN 0.677 nan 8.240 nan 0.000 0.441 420 K N 1.909 122.279 120.400 -0.050 0.000 2.489 420 K HA 0.073 4.393 4.320 -0.000 0.000 0.278 420 K C 0.463 177.067 176.600 0.007 0.000 1.000 420 K CA 0.254 56.518 56.287 -0.038 0.000 1.012 420 K CB 0.373 32.837 32.500 -0.060 0.000 0.903 420 K HN 0.408 nan 8.250 nan 0.000 0.485 421 K N 1.880 122.301 120.400 0.036 0.000 2.477 421 K HA 0.141 4.461 4.320 -0.000 0.000 0.208 421 K C -0.931 175.761 176.600 0.153 0.000 1.117 421 K CA -0.060 56.283 56.287 0.094 0.000 1.039 421 K CB 0.291 32.865 32.500 0.123 0.000 0.937 421 K HN 0.766 nan 8.250 nan 0.000 0.570 422 H N -0.813 118.229 119.070 -0.047 0.000 2.891 422 H HA 0.060 4.616 4.556 -0.000 0.000 0.250 422 H C -2.027 173.252 175.328 -0.082 0.000 1.407 422 H CA -0.420 55.584 56.048 -0.075 0.000 1.255 422 H CB 0.910 30.604 29.762 -0.112 0.000 1.811 422 H HN 0.105 nan 8.280 nan 0.000 0.444 423 E N 2.096 121.802 120.200 -0.823 0.000 2.388 423 E HA 0.426 4.776 4.350 -0.000 0.000 0.282 423 E C -2.116 174.112 176.600 -0.621 0.000 1.026 423 E CA -0.884 55.176 56.400 -0.567 0.000 0.820 423 E CB 2.486 32.037 29.700 -0.248 0.000 1.226 423 E HN 0.436 nan 8.360 nan 0.000 0.432 424 D N 0.449 120.639 120.400 -0.349 0.000 2.601 424 D HA 0.462 5.102 4.640 -0.000 0.000 0.230 424 D C -1.214 175.032 176.300 -0.091 0.000 1.106 424 D CA -0.652 53.237 54.000 -0.186 0.000 0.873 424 D CB 1.675 42.418 40.800 -0.094 0.000 1.515 424 D HN 0.575 nan 8.370 nan 0.000 0.468 425 E N -0.753 119.412 120.200 -0.059 0.000 2.390 425 E HA 0.713 5.063 4.350 -0.000 0.000 0.277 425 E C -1.360 175.220 176.600 -0.033 0.000 0.939 425 E CA -1.039 55.339 56.400 -0.037 0.000 0.769 425 E CB 2.143 31.818 29.700 -0.041 0.000 1.251 425 E HN 0.205 nan 8.360 nan 0.000 0.450 426 S N 0.297 115.977 115.700 -0.033 0.000 2.627 426 S HA 0.236 4.706 4.470 -0.000 0.000 0.283 426 S C 0.169 174.728 174.600 -0.068 0.000 1.127 426 S CA -0.496 57.672 58.200 -0.054 0.000 0.863 426 S CB 1.823 64.979 63.200 -0.073 0.000 1.121 426 S HN 0.648 nan 8.310 nan 0.000 0.479 427 E N 0.928 121.075 120.200 -0.088 0.000 2.051 427 E HA 0.027 4.377 4.350 -0.000 0.000 0.189 427 E C 1.754 178.282 176.600 -0.120 0.000 0.979 427 E CA 1.084 57.436 56.400 -0.080 0.000 0.803 427 E CB -0.175 29.488 29.700 -0.062 0.000 0.761 427 E HN 0.619 nan 8.360 nan 0.000 0.451 428 A N 1.563 124.214 122.820 -0.281 0.000 2.260 428 A HA 0.060 4.380 4.320 -0.000 0.000 0.208 428 A C 0.151 177.644 177.584 -0.152 0.000 1.588 428 A CA 1.072 52.886 52.037 -0.372 0.000 0.600 428 A CB -0.574 17.706 19.000 -1.199 0.000 1.142 428 A HN 0.397 nan 8.150 nan 0.000 0.494 429 W N -1.729 119.315 121.300 -0.428 0.000 3.256 429 W HA 0.626 5.286 4.660 -0.000 0.000 0.324 429 W C -1.426 175.075 176.519 -0.031 0.000 1.196 429 W CA -1.209 56.019 57.345 -0.195 0.000 1.206 429 W CB 0.414 29.744 29.460 -0.216 0.000 1.385 429 W HN 0.291 nan 8.180 nan 0.000 0.522 430 L N 4.659 125.985 121.223 0.171 0.000 2.483 430 L HA 0.178 4.518 4.340 -0.000 0.000 0.276 430 L C 0.596 177.685 176.870 0.365 0.000 1.213 430 L CA 0.505 55.451 54.840 0.177 0.000 0.843 430 L CB 0.087 42.234 42.059 0.148 0.000 1.107 430 L HN 0.826 nan 8.230 nan 0.000 0.487 431 H N 3.869 123.059 119.070 0.201 0.000 2.865 431 H HA 0.323 4.879 4.556 -0.000 0.000 0.372 431 H C -0.334 175.054 175.328 0.100 0.000 1.173 431 H CA -0.781 55.396 56.048 0.215 0.000 1.147 431 H CB 1.405 31.281 29.762 0.189 0.000 1.805 431 H HN 0.497 nan 8.280 nan 0.000 0.553 432 R N 2.184 122.311 120.500 -0.622 0.000 3.079 432 R HA -0.141 4.199 4.340 -0.000 0.000 0.254 432 R C -0.062 176.134 176.300 -0.174 0.000 0.900 432 R CA 0.266 56.055 56.100 -0.517 0.000 0.641 432 R CB -0.784 29.093 30.300 -0.706 0.000 1.307 432 R HN 0.685 nan 8.270 nan 0.000 0.477 433 Q N -0.073 119.668 119.800 -0.099 0.000 2.282 433 Q HA 0.062 4.402 4.340 -0.000 0.000 0.206 433 Q C 0.602 176.587 176.000 -0.024 0.000 0.878 433 Q CA 0.576 56.376 55.803 -0.005 0.000 0.944 433 Q CB 0.388 29.144 28.738 0.031 0.000 1.100 433 Q HN 0.563 nan 8.270 nan 0.000 0.509 434 N N 0.629 119.286 118.700 -0.073 0.000 2.398 434 N HA -0.049 4.691 4.740 -0.000 0.000 0.188 434 N C -0.028 175.449 175.510 -0.055 0.000 1.122 434 N CA -0.068 52.949 53.050 -0.055 0.000 0.866 434 N CB 0.223 38.681 38.487 -0.049 0.000 0.970 434 N HN -0.022 nan 8.380 nan 0.000 0.462 435 E N 2.271 122.408 120.200 -0.104 0.000 2.905 435 E HA -0.118 4.232 4.350 -0.000 0.000 0.240 435 E C -0.560 175.945 176.600 -0.158 0.000 0.990 435 E CA 0.556 56.825 56.400 -0.218 0.000 0.954 435 E CB -0.145 29.286 29.700 -0.449 0.000 0.908 435 E HN 0.237 nan 8.360 nan 0.000 0.532 436 E N 5.817 125.964 120.200 -0.087 0.000 2.259 436 E HA 0.216 4.566 4.350 -0.000 0.000 0.281 436 E C -1.973 174.648 176.600 0.035 0.000 1.027 436 E CA -1.898 54.516 56.400 0.023 0.000 0.838 436 E CB 0.865 30.603 29.700 0.064 0.000 1.066 436 E HN 0.442 nan 8.360 nan 0.000 0.401 437 P HA 0.114 nan 4.420 nan 0.000 0.281 437 P C -0.776 176.595 177.300 0.119 0.000 1.249 437 P CA -0.411 62.772 63.100 0.137 0.000 0.810 437 P CB 1.110 32.794 31.700 -0.027 0.000 1.008 438 V N 3.075 123.038 119.914 0.080 0.000 2.347 438 V HA 0.303 4.422 4.120 -0.000 0.000 0.280 438 V C 0.054 176.243 176.094 0.158 0.000 1.021 438 V CA -0.275 62.141 62.300 0.193 0.000 0.847 438 V CB 0.007 31.922 31.823 0.154 0.000 0.990 438 V HN 0.349 nan 8.190 nan 0.000 0.444 439 F N 1.891 121.998 119.950 0.261 0.000 2.440 439 F HA 0.551 5.078 4.527 -0.000 0.000 0.328 439 F C 1.007 177.000 175.800 0.321 0.000 1.070 439 F CA -0.665 57.508 58.000 0.289 0.000 1.011 439 F CB 1.586 40.716 39.000 0.216 0.000 1.226 439 F HN 0.507 nan 8.300 nan 0.000 0.491 440 S N 1.688 117.690 115.700 0.504 0.000 2.545 440 S HA 0.185 4.655 4.470 -0.000 0.000 0.275 440 S C 1.008 175.824 174.600 0.359 0.000 1.299 440 S CA -0.918 57.576 58.200 0.490 0.000 1.048 440 S CB 1.161 64.620 63.200 0.431 0.000 0.938 440 S HN 0.524 nan 8.310 nan 0.000 0.496 441 K N 1.910 122.479 120.400 0.282 0.000 2.227 441 K HA -0.210 4.110 4.320 -0.000 0.000 0.208 441 K C 1.141 177.842 176.600 0.169 0.000 1.045 441 K CA 2.046 58.448 56.287 0.192 0.000 0.931 441 K CB -0.649 31.931 32.500 0.132 0.000 0.721 441 K HN 0.960 nan 8.250 nan 0.000 0.469 442 D N -0.854 119.653 120.400 0.178 0.000 2.370 442 D HA 0.045 4.685 4.640 -0.000 0.000 0.230 442 D C 0.989 177.390 176.300 0.168 0.000 1.143 442 D CA 0.637 54.725 54.000 0.147 0.000 0.834 442 D CB -0.297 40.579 40.800 0.126 0.000 0.944 442 D HN 0.229 nan 8.370 nan 0.000 0.504 443 G N 1.266 110.197 108.800 0.219 0.000 2.200 443 G HA2 -0.421 3.539 3.960 -0.000 0.000 0.268 443 G HA3 -0.421 3.539 3.960 -0.000 0.000 0.268 443 G C 0.675 175.766 174.900 0.317 0.000 0.986 443 G CA 0.821 46.075 45.100 0.255 0.000 0.677 443 G HN 0.546 nan 8.290 nan 0.000 0.532 444 R N 0.923 121.578 120.500 0.258 0.000 2.244 444 R HA 0.313 4.653 4.340 -0.000 0.000 0.111 444 R C 1.640 178.058 176.300 0.198 0.000 0.601 444 R CA 0.294 56.509 56.100 0.192 0.000 1.800 444 R CB -0.095 30.285 30.300 0.132 0.000 0.620 444 R HN 0.473 nan 8.270 nan 0.000 0.671 445 K N 0.204 120.625 120.400 0.036 0.000 2.552 445 K HA -0.074 4.246 4.320 -0.000 0.000 0.276 445 K C -0.717 175.785 176.600 -0.164 0.000 0.960 445 K CA 0.526 56.699 56.287 -0.189 0.000 0.961 445 K CB -0.008 32.317 32.500 -0.292 0.000 0.902 445 K HN 0.352 nan 8.250 nan 0.000 0.515 446 F N -1.647 118.044 119.950 -0.431 0.000 2.643 446 F HA 0.627 5.154 4.527 -0.000 0.000 0.314 446 F C -1.649 173.758 175.800 -0.655 0.000 1.096 446 F CA -1.852 55.818 58.000 -0.550 0.000 0.953 446 F CB 0.914 39.292 39.000 -1.036 0.000 1.345 446 F HN 0.274 nan 8.300 nan 0.000 0.468 447 F N 2.710 122.611 119.950 -0.080 0.000 2.402 447 F HA 0.592 5.119 4.527 -0.000 0.000 0.355 447 F C -0.519 175.351 175.800 0.116 0.000 1.123 447 F CA -0.788 57.163 58.000 -0.081 0.000 1.021 447 F CB 1.343 40.209 39.000 -0.223 0.000 1.160 447 F HN 0.537 nan 8.300 nan 0.000 0.451 448 F N 3.866 123.877 119.950 0.103 0.000 2.656 448 F HA 0.780 5.307 4.527 -0.000 0.000 0.394 448 F C -0.754 175.064 175.800 0.030 0.000 1.168 448 F CA -1.495 56.550 58.000 0.075 0.000 1.135 448 F CB 1.384 40.453 39.000 0.114 0.000 1.480 448 F HN 0.290 nan 8.300 nan 0.000 0.500 449 I N 2.575 122.994 120.570 -0.251 0.000 2.702 449 I HA 0.391 4.561 4.170 -0.000 0.000 0.287 449 I C -1.667 174.431 176.117 -0.033 0.000 1.342 449 I CA -0.318 60.901 61.300 -0.134 0.000 1.063 449 I CB 1.338 39.226 38.000 -0.187 0.000 1.331 449 I HN 0.817 nan 8.210 nan 0.000 0.427 450 R N 5.526 126.082 120.500 0.093 0.000 2.844 450 R HA 0.814 5.154 4.340 -0.000 0.000 0.264 450 R C -1.426 174.739 176.300 -0.225 0.000 1.077 450 R CA -0.850 55.307 56.100 0.095 0.000 0.953 450 R CB 1.429 31.868 30.300 0.233 0.000 1.272 450 R HN 0.569 nan 8.270 nan 0.000 0.447 451 A N 1.662 124.178 122.820 -0.506 0.000 2.404 451 A HA 0.482 4.802 4.320 -0.000 0.000 0.273 451 A C 0.362 177.792 177.584 -0.257 0.000 1.144 451 A CA -0.689 50.964 52.037 -0.641 0.000 0.806 451 A CB -0.412 18.139 19.000 -0.748 0.000 1.080 451 A HN 0.595 nan 8.150 nan 0.000 0.509 452 I N 0.930 121.401 120.570 -0.166 0.000 2.447 452 I HA 0.489 4.659 4.170 -0.000 0.000 0.287 452 I C -2.370 173.719 176.117 -0.048 0.000 1.023 452 I CA -2.510 58.740 61.300 -0.084 0.000 1.083 452 I CB 2.040 39.999 38.000 -0.067 0.000 1.245 452 I HN 0.318 nan 8.210 nan 0.000 0.434 453 P HA -0.314 nan 4.420 nan 0.000 0.233 453 P C 0.193 177.500 177.300 0.011 0.000 1.141 453 P CA 1.851 64.937 63.100 -0.023 0.000 0.951 453 P CB -0.147 31.533 31.700 -0.033 0.000 0.778 454 Q N -2.313 117.474 119.800 -0.021 0.000 2.451 454 Q HA -0.244 4.096 4.340 -0.000 0.000 0.305 454 Q C 1.207 177.181 176.000 -0.043 0.000 1.345 454 Q CA 1.347 57.119 55.803 -0.052 0.000 0.854 454 Q CB -2.238 26.480 28.738 -0.032 0.000 1.162 454 Q HN 0.512 nan 8.270 nan 0.000 0.440 455 G N -1.236 107.541 108.800 -0.039 0.000 2.677 455 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.321 455 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.321 455 G C 0.365 175.259 174.900 -0.010 0.000 1.181 455 G CA 0.511 45.593 45.100 -0.029 0.000 0.965 455 G HN 1.245 nan 8.290 nan 0.000 0.548 456 G N -1.212 107.585 108.800 -0.005 0.000 2.453 456 G HA2 0.702 4.662 3.960 -0.000 0.000 0.323 456 G HA3 0.702 4.662 3.960 -0.000 0.000 0.323 456 G C 0.159 175.083 174.900 0.041 0.000 1.198 456 G CA 0.255 45.361 45.100 0.009 0.000 0.959 456 G HN 1.378 nan 8.290 nan 0.000 0.482 457 R N -0.058 120.472 120.500 0.049 0.000 3.078 457 R HA -0.104 4.236 4.340 -0.000 0.000 0.264 457 R C 0.806 177.213 176.300 0.179 0.000 1.049 457 R CA 0.500 56.654 56.100 0.091 0.000 0.689 457 R CB -1.880 28.484 30.300 0.106 0.000 1.286 457 R HN 2.516 nan 8.270 nan 0.000 0.390 458 G N 0.832 109.685 108.800 0.089 0.000 2.752 458 G HA2 -0.357 3.603 3.960 -0.000 0.000 0.234 458 G HA3 -0.357 3.603 3.960 -0.000 0.000 0.234 458 G C -0.312 174.645 174.900 0.094 0.000 1.367 458 G CA 0.271 45.391 45.100 0.034 0.000 0.879 458 G HN 0.489 nan 8.290 nan 0.000 0.563 459 K N -1.326 119.050 120.400 -0.040 0.000 2.281 459 K HA 0.840 5.160 4.320 -0.000 0.000 0.242 459 K C -1.291 175.253 176.600 -0.094 0.000 0.971 459 K CA -0.921 55.375 56.287 0.014 0.000 0.834 459 K CB 2.051 34.475 32.500 -0.126 0.000 1.181 459 K HN 0.345 nan 8.250 nan 0.000 0.435 460 F N -0.033 119.774 119.950 -0.237 0.000 2.611 460 F HA 0.342 4.869 4.527 -0.000 0.000 0.324 460 F C -0.653 174.868 175.800 -0.465 0.000 1.061 460 F CA -1.170 56.656 58.000 -0.290 0.000 0.954 460 F CB 1.155 40.003 39.000 -0.253 0.000 1.301 460 F HN 0.357 nan 8.300 nan 0.000 0.482 461 Y N 2.407 122.558 120.300 -0.249 0.000 2.436 461 Y HA 0.355 4.905 4.550 -0.000 0.000 0.343 461 Y C 0.350 175.896 175.900 -0.590 0.000 1.008 461 Y CA 0.209 58.133 58.100 -0.294 0.000 1.241 461 Y CB -0.033 38.305 38.460 -0.203 0.000 1.153 461 Y HN 0.344 nan 8.280 nan 0.000 0.521 462 H N 2.447 121.447 119.070 -0.117 0.000 2.946 462 H HA 0.456 5.012 4.556 -0.000 0.000 0.365 462 H C -0.359 174.854 175.328 -0.191 0.000 1.197 462 H CA -1.063 54.845 56.048 -0.233 0.000 1.131 462 H CB 1.933 31.497 29.762 -0.331 0.000 1.849 462 H HN 0.478 nan 8.280 nan 0.000 0.555 463 I N 1.149 121.651 120.570 -0.114 0.000 2.696 463 I HA 0.090 4.260 4.170 -0.000 0.000 0.284 463 I C 0.404 176.451 176.117 -0.117 0.000 1.129 463 I CA 0.685 61.903 61.300 -0.137 0.000 1.410 463 I CB 0.594 38.450 38.000 -0.239 0.000 1.399 463 I HN 0.340 nan 8.210 nan 0.000 0.579 464 T N 4.533 119.041 114.554 -0.076 0.000 2.903 464 T HA 0.561 4.911 4.350 -0.000 0.000 0.299 464 T C -0.672 173.867 174.700 -0.269 0.000 1.093 464 T CA -0.475 61.532 62.100 -0.155 0.000 1.002 464 T CB 2.292 71.104 68.868 -0.093 0.000 1.127 464 T HN 0.247 nan 8.240 nan 0.000 0.488 465 V N 1.579 121.234 119.914 -0.432 0.000 2.769 465 V HA 0.878 4.998 4.120 -0.000 0.000 0.312 465 V C -0.373 175.317 176.094 -0.674 0.000 1.061 465 V CA -0.707 61.169 62.300 -0.706 0.000 0.931 465 V CB 2.064 33.431 31.823 -0.761 0.000 1.010 465 V HN 0.967 nan 8.190 nan 0.000 0.433 466 S N 1.012 116.148 115.700 -0.939 0.000 2.537 466 S HA 0.558 5.027 4.470 -0.000 0.000 0.270 466 S C -0.308 173.758 174.600 -0.890 0.000 1.142 466 S CA -0.687 56.983 58.200 -0.882 0.000 0.870 466 S CB 2.085 64.668 63.200 -1.029 0.000 1.112 466 S HN 1.077 nan 8.310 nan 0.000 0.466 467 S N 0.816 116.209 115.700 -0.512 0.000 2.600 467 S HA 0.309 4.779 4.470 -0.000 0.000 0.265 467 S C 1.376 175.843 174.600 -0.223 0.000 1.325 467 S CA -0.005 58.006 58.200 -0.315 0.000 1.002 467 S CB 1.151 64.247 63.200 -0.173 0.000 0.921 467 S HN 0.684 nan 8.310 nan 0.000 0.554 468 S N 0.663 116.349 115.700 -0.024 0.000 2.382 468 S HA -0.120 4.350 4.470 -0.000 0.000 0.228 468 S C 0.940 175.632 174.600 0.154 0.000 1.027 468 S CA 1.123 59.433 58.200 0.184 0.000 0.991 468 S CB -0.531 62.792 63.200 0.205 0.000 0.823 468 S HN 0.789 nan 8.310 nan 0.000 0.469 469 Q N 1.529 121.367 119.800 0.062 0.000 2.842 469 Q HA 0.319 4.659 4.340 -0.000 0.000 0.323 469 Q C -2.674 173.332 176.000 0.010 0.000 1.111 469 Q CA -2.024 53.808 55.803 0.048 0.000 1.047 469 Q CB 1.204 29.963 28.738 0.035 0.000 1.280 469 Q HN 0.335 nan 8.270 nan 0.000 0.475 470 P HA -0.086 nan 4.420 nan 0.000 0.261 470 P C -0.727 176.566 177.300 -0.013 0.000 1.203 470 P CA 0.348 63.433 63.100 -0.026 0.000 0.767 470 P CB 0.408 32.101 31.700 -0.013 0.000 0.785 471 N N 1.850 120.535 118.700 -0.025 0.000 2.499 471 N HA 0.007 4.747 4.740 -0.000 0.000 0.281 471 N C 1.477 176.974 175.510 -0.022 0.000 1.098 471 N CA -0.002 53.036 53.050 -0.020 0.000 0.979 471 N CB 0.850 39.324 38.487 -0.022 0.000 1.121 471 N HN 0.355 nan 8.380 nan 0.000 0.466 472 S N 1.924 117.613 115.700 -0.019 0.000 2.465 472 S HA -0.342 4.128 4.470 -0.000 0.000 0.263 472 S C 1.925 176.511 174.600 -0.022 0.000 1.135 472 S CA 2.126 60.314 58.200 -0.021 0.000 1.118 472 S CB -0.840 62.346 63.200 -0.023 0.000 0.994 472 S HN 0.731 nan 8.310 nan 0.000 0.455 473 S N 3.513 119.198 115.700 -0.024 0.000 2.534 473 S HA -0.079 4.391 4.470 -0.000 0.000 0.217 473 S C 0.896 175.480 174.600 -0.026 0.000 1.097 473 S CA 0.885 59.070 58.200 -0.025 0.000 1.288 473 S CB -0.882 62.302 63.200 -0.027 0.000 1.109 473 S HN 0.699 nan 8.310 nan 0.000 0.398 474 N N 1.691 120.372 118.700 -0.032 0.000 2.619 474 N HA 0.499 5.239 4.740 -0.000 0.000 0.294 474 N C -1.566 173.916 175.510 -0.047 0.000 1.279 474 N CA -0.581 52.448 53.050 -0.035 0.000 0.867 474 N CB 0.638 39.101 38.487 -0.039 0.000 1.329 474 N HN 0.416 nan 8.380 nan 0.000 0.557 475 D N -0.457 119.907 120.400 -0.059 0.000 2.383 475 D HA 0.217 4.857 4.640 -0.000 0.000 0.248 475 D C 0.262 176.483 176.300 -0.132 0.000 1.170 475 D CA -0.153 53.787 54.000 -0.101 0.000 0.977 475 D CB 0.620 41.343 40.800 -0.128 0.000 1.120 475 D HN 0.433 nan 8.370 nan 0.000 0.481 476 N N -0.257 118.329 118.700 -0.189 0.000 2.322 476 N HA 0.127 4.867 4.740 -0.000 0.000 0.194 476 N C -0.211 175.165 175.510 -0.223 0.000 1.126 476 N CA -0.216 52.712 53.050 -0.203 0.000 0.845 476 N CB -0.340 37.987 38.487 -0.267 0.000 0.976 476 N HN 0.432 nan 8.380 nan 0.000 0.475 477 I N -0.545 119.893 120.570 -0.220 0.000 3.248 477 I HA -0.169 4.001 4.170 -0.000 0.000 0.344 477 I C -0.206 175.802 176.117 -0.182 0.000 1.190 477 I CA 0.573 61.744 61.300 -0.214 0.000 1.489 477 I CB 0.145 38.048 38.000 -0.162 0.000 1.285 477 I HN 0.090 nan 8.210 nan 0.000 0.516 478 Q N 4.368 124.046 119.800 -0.204 0.000 3.155 478 Q HA 0.151 4.491 4.340 -0.000 0.000 0.186 478 Q C -1.028 174.816 176.000 -0.259 0.000 0.949 478 Q CA -0.262 55.428 55.803 -0.189 0.000 1.252 478 Q CB 1.545 30.195 28.738 -0.146 0.000 1.715 478 Q HN 1.037 nan 8.270 nan 0.000 0.608 479 S N 2.247 117.795 115.700 -0.254 0.000 2.610 479 S HA 0.637 5.107 4.470 -0.000 0.000 0.273 479 S C 1.265 175.579 174.600 -0.476 0.000 1.274 479 S CA -0.658 57.361 58.200 -0.302 0.000 1.023 479 S CB 1.087 64.143 63.200 -0.239 0.000 0.962 479 S HN 0.630 nan 8.310 nan 0.000 0.523 480 I N 0.716 120.980 120.570 -0.510 0.000 2.927 480 I HA 0.042 4.212 4.170 -0.000 0.000 0.268 480 I C 1.278 177.151 176.117 -0.407 0.000 1.153 480 I CA 0.624 61.483 61.300 -0.735 0.000 1.459 480 I CB 0.015 37.715 38.000 -0.501 0.000 1.149 480 I HN 0.862 nan 8.210 nan 0.000 0.443 481 T N -1.218 113.156 114.554 -0.300 0.000 2.926 481 T HA 0.707 5.057 4.350 -0.000 0.000 0.289 481 T C -0.322 173.995 174.700 -0.639 0.000 1.054 481 T CA -0.530 61.435 62.100 -0.224 0.000 1.015 481 T CB 2.253 71.120 68.868 -0.001 0.000 1.167 481 T HN 0.189 nan 8.240 nan 0.000 0.526 482 S N -0.972 114.242 115.700 -0.809 0.000 2.578 482 S HA 0.870 5.340 4.470 -0.000 0.000 0.272 482 S C -0.183 173.977 174.600 -0.733 0.000 1.145 482 S CA -0.296 57.168 58.200 -1.228 0.000 0.835 482 S CB 1.087 63.968 63.200 -0.531 0.000 1.104 482 S HN 2.409 nan 8.310 nan 0.000 0.458 483 G N 0.548 108.948 108.800 -0.668 0.000 2.369 483 G HA2 0.291 4.251 3.960 -0.000 0.000 0.295 483 G HA3 0.291 4.251 3.960 -0.000 0.000 0.295 483 G C -2.175 172.347 174.900 -0.629 0.000 1.298 483 G CA -0.620 44.301 45.100 -0.298 0.000 0.940 483 G HN 0.704 nan 8.290 nan 0.000 0.536 484 D N 1.870 122.005 120.400 -0.440 0.000 2.943 484 D HA 0.367 5.007 4.640 -0.000 0.000 0.249 484 D C 0.022 176.134 176.300 -0.315 0.000 1.231 484 D CA 0.433 53.807 54.000 -1.044 0.000 0.979 484 D CB -0.349 40.155 40.800 -0.494 0.000 1.053 484 D HN 0.538 nan 8.370 nan 0.000 0.504 485 W N -0.229 120.934 121.300 -0.229 0.000 3.153 485 W HA 0.379 5.039 4.660 -0.000 0.000 0.316 485 W C -1.250 175.417 176.519 0.246 0.000 1.255 485 W CA -0.749 56.705 57.345 0.182 0.000 1.192 485 W CB 0.537 30.047 29.460 0.083 0.000 1.400 485 W HN -0.284 nan 8.180 nan 0.000 0.568 486 D N 1.331 121.970 120.400 0.398 0.000 2.198 486 D HA 0.461 5.101 4.640 -0.000 0.000 0.247 486 D C -0.306 176.124 176.300 0.216 0.000 1.010 486 D CA -0.574 53.508 54.000 0.136 0.000 0.880 486 D CB 3.257 44.209 40.800 0.252 0.000 1.209 486 D HN 0.073 nan 8.370 nan 0.000 0.451 487 V N 1.338 121.265 119.914 0.022 0.000 2.546 487 V HA 0.217 4.337 4.120 -0.000 0.000 0.284 487 V C 1.465 177.656 176.094 0.162 0.000 1.050 487 V CA -0.106 62.305 62.300 0.184 0.000 0.981 487 V CB 1.339 33.171 31.823 0.016 0.000 0.990 487 V HN 0.798 nan 8.190 nan 0.000 0.474 488 T N 0.009 114.693 114.554 0.216 0.000 3.010 488 T HA 0.316 4.666 4.350 -0.000 0.000 0.257 488 T C 0.240 175.022 174.700 0.137 0.000 1.020 488 T CA -0.203 62.003 62.100 0.177 0.000 0.938 488 T CB 0.142 69.138 68.868 0.213 0.000 1.049 488 T HN 0.490 nan 8.240 nan 0.000 0.522 489 K N 0.935 121.437 120.400 0.169 0.000 2.575 489 K HA 0.397 4.717 4.320 -0.000 0.000 0.271 489 K C -1.863 174.859 176.600 0.204 0.000 1.013 489 K CA -0.484 55.893 56.287 0.149 0.000 0.939 489 K CB 0.570 33.162 32.500 0.153 0.000 1.328 489 K HN 0.233 nan 8.250 nan 0.000 0.450 490 I N 6.875 127.526 120.570 0.136 0.000 2.471 490 I HA 0.114 4.284 4.170 -0.000 0.000 0.286 490 I C 0.835 177.055 176.117 0.172 0.000 1.079 490 I CA -0.262 61.130 61.300 0.153 0.000 1.398 490 I CB 0.734 38.767 38.000 0.054 0.000 1.403 490 I HN 0.662 nan 8.210 nan 0.000 0.530 491 L N 6.033 127.381 121.223 0.209 0.000 2.388 491 L HA 0.431 4.771 4.340 -0.000 0.000 0.209 491 L C 0.715 177.669 176.870 0.141 0.000 1.061 491 L CA 0.221 55.186 54.840 0.208 0.000 0.834 491 L CB 0.065 42.304 42.059 0.300 0.000 1.029 491 L HN 0.746 nan 8.230 nan 0.000 0.473 492 A N -1.276 121.589 122.820 0.076 0.000 2.597 492 A HA 0.532 4.852 4.320 -0.000 0.000 0.292 492 A C -2.332 175.306 177.584 0.089 0.000 1.057 492 A CA -0.335 51.726 52.037 0.039 0.000 0.674 492 A CB 1.032 19.940 19.000 -0.152 0.000 1.278 492 A HN 0.024 nan 8.150 nan 0.000 0.416 493 Y N 1.265 121.518 120.300 -0.078 0.000 2.326 493 Y HA 0.579 5.129 4.550 -0.000 0.000 0.329 493 Y C -0.860 175.003 175.900 -0.062 0.000 0.973 493 Y CA -1.285 56.719 58.100 -0.161 0.000 1.162 493 Y CB 1.684 40.002 38.460 -0.237 0.000 1.147 493 Y HN 0.695 nan 8.280 nan 0.000 0.456 494 D N 4.792 124.927 120.400 -0.441 0.000 2.494 494 D HA 0.106 4.746 4.640 -0.000 0.000 0.217 494 D C 0.962 176.842 176.300 -0.701 0.000 1.153 494 D CA 0.226 53.981 54.000 -0.408 0.000 0.954 494 D CB 0.561 41.291 40.800 -0.117 0.000 1.034 494 D HN 0.847 nan 8.370 nan 0.000 0.518 495 E N 1.996 121.670 120.200 -0.876 0.000 2.171 495 E HA -0.159 4.191 4.350 -0.000 0.000 0.197 495 E C 0.412 176.871 176.600 -0.235 0.000 0.997 495 E CA 0.750 56.766 56.400 -0.640 0.000 0.810 495 E CB 0.289 29.833 29.700 -0.259 0.000 0.738 495 E HN 0.230 nan 8.360 nan 0.000 0.467 496 K N 0.851 121.143 120.400 -0.179 0.000 2.686 496 K HA 0.084 4.404 4.320 -0.000 0.000 0.244 496 K C 0.314 176.875 176.600 -0.065 0.000 1.262 496 K CA 0.663 56.901 56.287 -0.083 0.000 1.199 496 K CB 0.062 32.525 32.500 -0.063 0.000 1.428 496 K HN 0.324 nan 8.250 nan 0.000 0.247 497 G N 1.552 110.322 108.800 -0.050 0.000 2.130 497 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.151 497 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.151 497 G C -1.403 173.505 174.900 0.013 0.000 1.173 497 G CA -0.506 44.585 45.100 -0.015 0.000 1.278 497 G HN 0.380 nan 8.290 nan 0.000 0.479 498 N N 0.435 119.140 118.700 0.008 0.000 2.751 498 N HA 0.459 5.199 4.740 -0.000 0.000 0.234 498 N C -1.259 174.250 175.510 -0.003 0.000 1.403 498 N CA -0.582 52.503 53.050 0.059 0.000 0.747 498 N CB 1.384 39.923 38.487 0.087 0.000 1.326 498 N HN 0.504 nan 8.380 nan 0.000 0.532 499 K N 1.175 121.528 120.400 -0.079 0.000 2.482 499 K HA 0.498 4.818 4.320 -0.000 0.000 0.251 499 K C -1.203 175.214 176.600 -0.304 0.000 0.936 499 K CA -0.487 55.642 56.287 -0.264 0.000 0.791 499 K CB 2.618 34.944 32.500 -0.290 0.000 1.213 499 K HN 0.390 nan 8.250 nan 0.000 0.428 500 I N 4.139 124.460 120.570 -0.416 0.000 2.531 500 I HA 0.266 4.436 4.170 -0.000 0.000 0.283 500 I C -1.406 174.593 176.117 -0.196 0.000 1.083 500 I CA -0.661 60.486 61.300 -0.256 0.000 1.071 500 I CB 0.850 38.702 38.000 -0.247 0.000 1.210 500 I HN 0.504 nan 8.210 nan 0.000 0.450 501 Y N 8.099 128.388 120.300 -0.019 0.000 2.320 501 Y HA 0.622 5.172 4.550 -0.000 0.000 0.324 501 Y C 0.221 176.271 175.900 0.250 0.000 1.190 501 Y CA -0.396 57.689 58.100 -0.024 0.000 1.215 501 Y CB 1.035 39.180 38.460 -0.524 0.000 1.221 501 Y HN 0.446 nan 8.280 nan 0.000 0.486 502 F N -0.425 119.622 119.950 0.163 0.000 2.807 502 F HA 0.660 5.187 4.527 -0.000 0.000 0.316 502 F C -2.452 173.465 175.800 0.195 0.000 1.162 502 F CA -1.576 56.513 58.000 0.149 0.000 0.910 502 F CB 0.856 39.913 39.000 0.096 0.000 1.314 502 F HN 0.078 nan 8.300 nan 0.000 0.454 503 L N 1.809 123.189 121.223 0.261 0.000 2.334 503 L HA 0.807 5.147 4.340 -0.000 0.000 0.272 503 L C -0.281 176.740 176.870 0.252 0.000 1.020 503 L CA -0.477 54.466 54.840 0.172 0.000 0.812 503 L CB 1.422 43.565 42.059 0.139 0.000 1.264 503 L HN 0.937 nan 8.230 nan 0.000 0.439 504 S N -0.699 115.096 115.700 0.159 0.000 2.656 504 S HA 0.451 4.921 4.470 -0.000 0.000 0.273 504 S C 0.335 174.998 174.600 0.105 0.000 1.168 504 S CA -0.300 58.005 58.200 0.176 0.000 0.817 504 S CB 2.084 65.306 63.200 0.037 0.000 1.146 504 S HN 0.704 nan 8.310 nan 0.000 0.475 505 T N -2.261 112.411 114.554 0.196 0.000 3.134 505 T HA 0.273 4.623 4.350 -0.000 0.000 0.260 505 T C 0.935 175.698 174.700 0.105 0.000 1.027 505 T CA -0.008 62.172 62.100 0.133 0.000 0.913 505 T CB -0.055 68.940 68.868 0.213 0.000 1.046 505 T HN 0.599 nan 8.240 nan 0.000 0.553 506 E N 1.369 121.512 120.200 -0.094 0.000 2.171 506 E HA -0.248 4.102 4.350 -0.000 0.000 0.197 506 E C 1.675 178.131 176.600 -0.240 0.000 0.997 506 E CA 1.452 57.520 56.400 -0.553 0.000 0.810 506 E CB -0.046 28.825 29.700 -1.382 0.000 0.738 506 E HN 0.565 nan 8.360 nan 0.000 0.467 507 D N -0.304 120.063 120.400 -0.055 0.000 2.087 507 D HA -0.084 4.556 4.640 -0.000 0.000 0.210 507 D C -0.083 176.203 176.300 -0.023 0.000 0.973 507 D CA 0.887 54.877 54.000 -0.017 0.000 0.882 507 D CB 0.164 40.975 40.800 0.018 0.000 1.019 507 D HN 0.044 nan 8.370 nan 0.000 0.450 508 L N 0.246 121.459 121.223 -0.017 0.000 2.422 508 L HA 0.308 4.647 4.340 -0.000 0.000 0.264 508 L C -1.763 175.106 176.870 -0.002 0.000 0.984 508 L CA -1.837 52.995 54.840 -0.013 0.000 0.819 508 L CB 1.990 44.011 42.059 -0.062 0.000 1.330 508 L HN -0.088 nan 8.230 nan 0.000 0.410 509 P HA -0.169 nan 4.420 nan 0.000 0.221 509 P C 0.528 177.813 177.300 -0.025 0.000 1.145 509 P CA 1.287 64.429 63.100 0.070 0.000 0.795 509 P CB 0.164 31.960 31.700 0.159 0.000 0.775 510 R N -0.770 119.706 120.500 -0.040 0.000 2.319 510 R HA 0.201 4.541 4.340 -0.000 0.000 0.204 510 R C 1.142 177.402 176.300 -0.067 0.000 0.954 510 R CA 0.106 56.177 56.100 -0.048 0.000 1.066 510 R CB -0.120 30.100 30.300 -0.133 0.000 0.991 510 R HN 0.238 nan 8.270 nan 0.000 0.486 511 R N 0.050 120.459 120.500 -0.152 0.000 2.905 511 R HA 0.496 4.836 4.340 -0.000 0.000 0.260 511 R C -0.843 175.217 176.300 -0.400 0.000 1.086 511 R CA -1.199 54.760 56.100 -0.235 0.000 0.978 511 R CB 1.428 31.655 30.300 -0.121 0.000 1.215 511 R HN -0.202 nan 8.270 nan 0.000 0.480 512 R N 1.300 121.528 120.500 -0.453 0.000 2.507 512 R HA 0.248 4.588 4.340 -0.000 0.000 0.298 512 R C -1.268 175.047 176.300 0.025 0.000 1.087 512 R CA -0.495 55.406 56.100 -0.332 0.000 0.917 512 R CB 1.359 31.258 30.300 -0.668 0.000 1.173 512 R HN 0.397 nan 8.270 nan 0.000 0.472 513 Q N 1.974 121.847 119.800 0.123 0.000 2.306 513 Q HA 0.382 4.722 4.340 -0.000 0.000 0.265 513 Q C -0.757 175.271 176.000 0.047 0.000 1.022 513 Q CA -1.285 54.580 55.803 0.103 0.000 0.853 513 Q CB 2.759 31.491 28.738 -0.011 0.000 1.327 513 Q HN 0.362 nan 8.270 nan 0.000 0.449 514 L N 2.276 123.367 121.223 -0.220 0.000 2.290 514 L HA 0.348 4.688 4.340 -0.000 0.000 0.284 514 L C -1.392 175.245 176.870 -0.389 0.000 1.078 514 L CA 0.176 54.878 54.840 -0.231 0.000 0.815 514 L CB 0.011 41.853 42.059 -0.362 0.000 1.162 514 L HN 0.437 nan 8.230 nan 0.000 0.435 515 Y N 2.064 122.039 120.300 -0.541 0.000 2.805 515 Y HA 0.825 5.375 4.550 -0.000 0.000 0.321 515 Y C 0.186 175.764 175.900 -0.537 0.000 1.203 515 Y CA -0.411 57.312 58.100 -0.628 0.000 1.165 515 Y CB 1.731 39.601 38.460 -0.984 0.000 1.371 515 Y HN 0.651 nan 8.280 nan 0.000 0.564 516 S N -0.242 115.353 115.700 -0.175 0.000 2.543 516 S HA 0.914 5.384 4.470 -0.000 0.000 0.274 516 S C -1.482 173.175 174.600 0.095 0.000 1.149 516 S CA -0.507 57.598 58.200 -0.158 0.000 0.866 516 S CB 1.451 64.455 63.200 -0.327 0.000 1.111 516 S HN 1.184 nan 8.310 nan 0.000 0.457 517 A N 1.673 124.562 122.820 0.114 0.000 2.566 517 A HA 0.831 5.151 4.320 -0.000 0.000 0.292 517 A C -1.101 176.537 177.584 0.089 0.000 1.112 517 A CA -1.168 50.973 52.037 0.174 0.000 0.707 517 A CB 1.075 20.237 19.000 0.269 0.000 1.302 517 A HN 0.881 nan 8.150 nan 0.000 0.409 518 N N 0.356 119.156 118.700 0.166 0.000 2.434 518 N HA 0.347 5.087 4.740 -0.000 0.000 0.272 518 N C 0.687 176.394 175.510 0.328 0.000 1.040 518 N CA 0.039 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 0.664 nan 8.380 nan 0.000 0.481 519 T N 1.175 115.902 114.554 0.288 0.000 3.007 519 T HA -0.016 4.334 4.350 -0.000 0.000 0.270 519 T C 0.619 175.591 174.700 0.452 0.000 1.107 519 T CA 0.684 63.047 62.100 0.439 0.000 1.118 519 T CB 0.013 69.200 68.868 0.532 0.000 0.889 519 T HN 0.235 nan 8.240 nan 0.000 0.506 520 V N -0.864 119.190 119.914 0.233 0.000 3.284 520 V HA 0.666 4.786 4.120 -0.000 0.000 0.309 520 V C 2.138 178.043 176.094 -0.315 0.000 1.190 520 V CA -0.525 61.799 62.300 0.040 0.000 1.038 520 V CB 0.490 32.326 31.823 0.022 0.000 1.198 520 V HN 0.281 nan 8.190 nan 0.000 0.465 521 G N 1.296 109.903 108.800 -0.322 0.000 3.336 521 G HA2 -0.408 3.552 3.960 -0.000 0.000 0.378 521 G HA3 -0.408 3.552 3.960 -0.000 0.000 0.378 521 G C 0.985 175.478 174.900 -0.679 0.000 2.092 521 G CA 2.020 46.868 45.100 -0.420 0.000 2.370 521 G HN 0.783 nan 8.290 nan 0.000 0.944 522 N N -0.505 117.867 118.700 -0.546 0.000 2.333 522 N HA 0.113 4.853 4.740 -0.000 0.000 0.183 522 N C 0.661 175.962 175.510 -0.349 0.000 1.030 522 N CA 1.100 53.907 53.050 -0.404 0.000 0.867 522 N CB 0.131 38.527 38.487 -0.152 0.000 1.027 522 N HN 0.543 nan 8.380 nan 0.000 0.435 523 F N -0.010 119.956 119.950 0.027 0.000 2.900 523 F HA -0.160 4.367 4.527 -0.000 0.000 0.297 523 F C -0.525 175.308 175.800 0.055 0.000 0.822 523 F CA -0.759 57.264 58.000 0.040 0.000 1.393 523 F CB -2.930 36.086 39.000 0.027 0.000 1.485 523 F HN -0.088 nan 8.300 nan 0.000 0.495 524 N N 1.474 120.273 118.700 0.166 0.000 2.475 524 N HA 0.336 5.076 4.740 -0.000 0.000 0.267 524 N C 0.334 175.932 175.510 0.145 0.000 1.169 524 N CA -0.126 52.999 53.050 0.125 0.000 0.947 524 N CB 0.527 39.052 38.487 0.064 0.000 1.061 524 N HN 0.197 nan 8.380 nan 0.000 0.466 525 R N 1.902 122.501 120.500 0.164 0.000 2.221 525 R HA 0.182 4.522 4.340 -0.000 0.000 0.327 525 R C -0.349 176.029 176.300 0.130 0.000 1.033 525 R CA -0.423 55.797 56.100 0.200 0.000 0.887 525 R CB 0.970 31.430 30.300 0.267 0.000 1.057 525 R HN 0.538 nan 8.270 nan 0.000 0.455 526 Q N 2.723 122.572 119.800 0.082 0.000 2.322 526 Q HA 0.189 4.529 4.340 -0.000 0.000 0.265 526 Q C -1.164 174.774 176.000 -0.104 0.000 0.985 526 Q CA -0.555 55.247 55.803 -0.001 0.000 0.849 526 Q CB 1.833 30.568 28.738 -0.004 0.000 1.274 526 Q HN 0.675 nan 8.270 nan 0.000 0.449 527 C N 6.620 125.774 119.300 -0.242 0.000 2.192 527 C HA 0.261 4.721 4.460 -0.000 0.000 0.337 527 C C 1.352 176.085 174.990 -0.428 0.000 1.103 527 C CA -0.623 58.019 59.018 -0.628 0.000 1.581 527 C CB -1.458 25.802 27.740 -0.801 0.000 2.070 527 C HN 1.038 nan 8.230 nan 0.000 0.485 528 L N 4.717 125.717 121.223 -0.372 0.000 2.012 528 L HA -0.115 4.225 4.340 -0.000 0.000 0.210 528 L C 2.739 179.433 176.870 -0.294 0.000 1.073 528 L CA 2.555 57.249 54.840 -0.244 0.000 0.748 528 L CB -0.888 41.045 42.059 -0.209 0.000 0.891 528 L HN 0.831 nan 8.230 nan 0.000 0.431 529 S N -2.148 113.282 115.700 -0.451 0.000 2.311 529 S HA -0.115 4.355 4.470 -0.000 0.000 0.209 529 S C 1.054 175.474 174.600 -0.300 0.000 1.029 529 S CA 0.105 57.999 58.200 -0.510 0.000 0.968 529 S CB -1.086 61.588 63.200 -0.876 0.000 0.946 529 S HN 0.354 nan 8.310 nan 0.000 0.450 530 C N 3.476 122.617 119.300 -0.266 0.000 0.888 530 C HA -0.080 4.380 4.460 -0.000 0.000 0.510 530 C C 0.545 175.495 174.990 -0.068 0.000 1.142 530 C CA 0.981 59.912 59.018 -0.144 0.000 2.298 530 C CB -2.437 25.178 27.740 -0.207 0.000 3.387 530 C HN 0.819 nan 8.230 nan 0.000 0.232 531 D N -0.905 119.501 120.400 0.009 0.000 3.077 531 D HA -0.233 4.407 4.640 -0.000 0.000 0.217 531 D C 0.186 176.503 176.300 0.027 0.000 1.162 531 D CA 1.517 55.532 54.000 0.025 0.000 0.943 531 D CB -0.752 40.048 40.800 0.000 0.000 1.122 531 D HN 0.807 nan 8.370 nan 0.000 0.413 532 L N 0.414 121.646 121.223 0.015 0.000 2.479 532 L HA 0.244 4.583 4.340 -0.000 0.000 0.249 532 L C 1.270 178.195 176.870 0.091 0.000 1.178 532 L CA -0.359 54.497 54.840 0.027 0.000 0.811 532 L CB 1.211 43.256 42.059 -0.024 0.000 1.187 532 L HN 0.074 nan 8.230 nan 0.000 0.480 533 V N 0.567 120.545 119.914 0.106 0.000 5.674 533 V HA -0.213 3.907 4.120 -0.000 0.000 0.156 533 V C 0.508 176.683 176.094 0.135 0.000 0.726 533 V CA 0.415 62.789 62.300 0.124 0.000 0.518 533 V CB -1.933 29.993 31.823 0.172 0.000 0.181 533 V HN 0.842 nan 8.190 nan 0.000 0.381 534 E N 2.620 122.869 120.200 0.081 0.000 2.470 534 E HA 0.078 4.428 4.350 -0.000 0.000 0.258 534 E C 1.388 178.007 176.600 0.031 0.000 1.295 534 E CA 0.811 57.248 56.400 0.061 0.000 1.032 534 E CB 0.066 29.787 29.700 0.034 0.000 0.980 534 E HN 0.915 nan 8.360 nan 0.000 0.500 535 N N -1.619 117.088 118.700 0.011 0.000 2.979 535 N HA -0.183 4.557 4.740 -0.000 0.000 0.234 535 N C -1.030 174.456 175.510 -0.040 0.000 0.938 535 N CA 1.098 54.139 53.050 -0.014 0.000 0.961 535 N CB -1.456 37.014 38.487 -0.028 0.000 1.089 535 N HN 0.497 nan 8.380 nan 0.000 0.576 536 c N -1.374 117.198 118.600 -0.047 0.000 2.931 536 c HA 0.768 5.338 4.570 -0.000 0.000 0.370 536 c C 1.161 175.098 174.090 -0.255 0.000 1.071 536 c CA 0.425 56.658 56.329 -0.159 0.000 1.266 536 c CB 1.055 43.432 42.510 -0.221 0.000 1.691 536 c HN 0.425 nan 8.230 nan 0.000 0.511 537 T N -0.536 113.852 114.554 -0.276 0.000 3.043 537 T HA 0.253 4.603 4.350 -0.000 0.000 0.272 537 T C -0.253 174.265 174.700 -0.304 0.000 0.990 537 T CA 0.150 62.125 62.100 -0.209 0.000 0.897 537 T CB -0.194 68.642 68.868 -0.054 0.000 1.111 537 T HN 0.816 nan 8.240 nan 0.000 0.529 538 Y N 1.135 121.097 120.300 -0.564 0.000 2.342 538 Y HA 0.629 5.179 4.550 -0.000 0.000 0.334 538 Y C -1.142 174.391 175.900 -0.613 0.000 1.067 538 Y CA -1.626 56.256 58.100 -0.363 0.000 1.128 538 Y CB 0.767 39.098 38.460 -0.215 0.000 1.200 538 Y HN 0.098 nan 8.280 nan 0.000 0.464 539 F N 1.771 121.724 119.950 0.005 0.000 2.626 539 F HA 0.589 5.116 4.527 -0.000 0.000 0.311 539 F C -0.395 175.431 175.800 0.044 0.000 1.088 539 F CA -0.791 57.227 58.000 0.031 0.000 0.949 539 F CB 2.208 41.179 39.000 -0.049 0.000 1.322 539 F HN 0.292 nan 8.300 nan 0.000 0.461 540 S N 0.882 116.767 115.700 0.310 0.000 2.564 540 S HA 0.969 5.439 4.470 -0.000 0.000 0.274 540 S C -1.486 173.200 174.600 0.143 0.000 1.124 540 S CA -0.035 58.282 58.200 0.195 0.000 0.869 540 S CB 1.679 64.984 63.200 0.175 0.000 1.105 540 S HN 1.321 nan 8.310 nan 0.000 0.472 541 A N 1.563 124.449 122.820 0.110 0.000 2.586 541 A HA 0.837 5.157 4.320 -0.000 0.000 0.291 541 A C -1.029 176.632 177.584 0.128 0.000 1.062 541 A CA -0.247 51.825 52.037 0.058 0.000 0.666 541 A CB 0.968 19.905 19.000 -0.104 0.000 1.281 541 A HN 1.824 nan 8.150 nan 0.000 0.421 542 S N -0.328 115.456 115.700 0.139 0.000 2.536 542 S HA 0.852 5.322 4.470 -0.000 0.000 0.271 542 S C -1.196 173.578 174.600 0.290 0.000 1.134 542 S CA -0.571 57.825 58.200 0.327 0.000 0.897 542 S CB 0.934 64.380 63.200 0.410 0.000 1.094 542 S HN 0.850 nan 8.310 nan 0.000 0.473 543 F N 2.055 122.069 119.950 0.107 0.000 2.440 543 F HA 0.667 5.194 4.527 -0.000 0.000 0.328 543 F C 1.365 176.722 175.800 -0.739 0.000 1.070 543 F CA -0.617 57.261 58.000 -0.204 0.000 1.011 543 F CB 1.640 40.483 39.000 -0.261 0.000 1.226 543 F HN 0.847 nan 8.300 nan 0.000 0.491 544 S N -0.633 114.357 115.700 -1.184 0.000 2.587 544 S HA 0.010 4.480 4.470 -0.000 0.000 0.260 544 S C 0.435 174.883 174.600 -0.254 0.000 1.353 544 S CA -0.427 57.004 58.200 -1.281 0.000 0.995 544 S CB -0.072 62.450 63.200 -1.131 0.000 0.912 544 S HN 0.741 nan 8.310 nan 0.000 0.568 545 H N 0.066 119.054 119.070 -0.137 0.000 2.696 545 H HA 0.178 4.734 4.556 -0.000 0.000 0.288 545 H C 0.102 175.400 175.328 -0.049 0.000 1.096 545 H CA -0.129 55.909 56.048 -0.016 0.000 1.202 545 H CB -0.164 29.643 29.762 0.075 0.000 1.279 545 H HN 0.498 nan 8.280 nan 0.000 0.630 546 S N 0.084 115.774 115.700 -0.015 0.000 2.933 546 S HA 0.004 4.474 4.470 -0.000 0.000 0.236 546 S C 0.740 175.261 174.600 -0.132 0.000 0.836 546 S CA -0.232 57.928 58.200 -0.067 0.000 1.298 546 S CB 0.463 63.621 63.200 -0.070 0.000 1.243 546 S HN 0.366 nan 8.310 nan 0.000 0.607 547 M N -0.540 118.978 119.600 -0.137 0.000 2.852 547 M HA -0.269 4.211 4.480 -0.000 0.000 0.165 547 M C 0.484 176.705 176.300 -0.131 0.000 0.671 547 M CA 1.410 56.633 55.300 -0.128 0.000 0.627 547 M CB -2.545 29.959 32.600 -0.160 0.000 2.280 547 M HN 0.244 nan 8.290 nan 0.000 0.278 548 D N 0.684 120.884 120.400 -0.334 0.000 2.127 548 D HA -0.040 4.600 4.640 -0.000 0.000 0.190 548 D C 0.845 176.760 176.300 -0.641 0.000 1.000 548 D CA 1.648 55.266 54.000 -0.637 0.000 0.839 548 D CB -0.120 40.002 40.800 -1.130 0.000 0.955 548 D HN 0.502 nan 8.370 nan 0.000 0.446 549 F N -1.127 118.758 119.950 -0.109 0.000 2.613 549 F HA 0.538 5.065 4.527 -0.000 0.000 0.342 549 F C -0.242 175.450 175.800 -0.180 0.000 1.066 549 F CA -1.496 56.438 58.000 -0.111 0.000 1.002 549 F CB 1.101 40.120 39.000 0.032 0.000 1.319 549 F HN -0.181 nan 8.300 nan 0.000 0.495 550 F N -0.677 119.316 119.950 0.071 0.000 2.635 550 F HA 0.672 5.199 4.527 -0.000 0.000 0.314 550 F C -2.175 173.638 175.800 0.021 0.000 1.119 550 F CA -1.506 56.367 58.000 -0.212 0.000 1.000 550 F CB 0.494 38.678 39.000 -1.360 0.000 1.278 550 F HN 0.316 nan 8.300 nan 0.000 0.446 551 L N 4.770 126.199 121.223 0.343 0.000 2.349 551 L HA 0.483 4.823 4.340 -0.000 0.000 0.275 551 L C -0.599 176.301 176.870 0.050 0.000 1.115 551 L CA -0.749 54.078 54.840 -0.020 0.000 0.820 551 L CB 1.398 43.331 42.059 -0.211 0.000 1.135 551 L HN 0.708 nan 8.230 nan 0.000 0.445 552 L N 4.836 126.034 121.223 -0.042 0.000 2.406 552 L HA 0.487 4.827 4.340 -0.000 0.000 0.272 552 L C -1.122 175.773 176.870 0.043 0.000 0.980 552 L CA -0.494 54.354 54.840 0.014 0.000 0.831 552 L CB 1.622 43.643 42.059 -0.062 0.000 1.253 552 L HN 0.671 nan 8.230 nan 0.000 0.406 553 K N 3.744 124.223 120.400 0.131 0.000 2.270 553 K HA 0.460 4.780 4.320 -0.000 0.000 0.255 553 K C 0.422 177.154 176.600 0.220 0.000 0.936 553 K CA -0.850 55.514 56.287 0.129 0.000 0.809 553 K CB 2.019 34.558 32.500 0.065 0.000 1.131 553 K HN 0.465 nan 8.250 nan 0.000 0.427 554 c N 1.576 120.231 118.600 0.091 0.000 5.534 554 c HA -0.086 4.484 4.570 -0.000 0.000 0.294 554 c C 1.065 175.092 174.090 -0.105 0.000 1.238 554 c CA 0.967 57.224 56.329 -0.121 0.000 1.883 554 c CB -0.993 41.439 42.510 -0.130 0.000 2.037 554 c HN 1.160 nan 8.230 nan 0.000 0.410 555 E N -1.545 118.619 120.200 -0.059 0.000 4.289 555 E HA -0.104 4.246 4.350 -0.000 0.000 0.375 555 E C 0.165 176.734 176.600 -0.053 0.000 0.624 555 E CA 0.444 56.824 56.400 -0.033 0.000 1.443 555 E CB -1.644 28.047 29.700 -0.015 0.000 1.807 555 E HN 0.959 nan 8.360 nan 0.000 0.378 556 G N -1.117 107.644 108.800 -0.065 0.000 2.353 556 G HA2 0.202 4.162 3.960 -0.000 0.000 0.308 556 G HA3 0.202 4.162 3.960 -0.000 0.000 0.308 556 G C -3.074 171.785 174.900 -0.069 0.000 1.418 556 G CA -0.451 44.644 45.100 -0.009 0.000 0.966 556 G HN -0.150 nan 8.290 nan 0.000 0.638 557 P HA 0.157 nan 4.420 nan 0.000 0.224 557 P C 1.448 178.807 177.300 0.098 0.000 1.157 557 P CA 1.407 64.552 63.100 0.075 0.000 0.799 557 P CB 0.251 32.001 31.700 0.082 0.000 0.809 558 G N -0.102 108.685 108.800 -0.022 0.000 2.599 558 G HA2 0.258 4.218 3.960 -0.000 0.000 0.264 558 G HA3 0.258 4.218 3.960 -0.000 0.000 0.264 558 G C -0.396 174.288 174.900 -0.360 0.000 1.200 558 G CA -0.396 44.633 45.100 -0.119 0.000 0.896 558 G HN -0.105 nan 8.290 nan 0.000 0.536 559 V N 2.446 121.975 119.914 -0.641 0.000 2.726 559 V HA -0.031 4.089 4.120 -0.000 0.000 0.304 559 V C -1.432 174.366 176.094 -0.494 0.000 1.115 559 V CA -0.295 61.424 62.300 -0.969 0.000 1.264 559 V CB 0.453 31.876 31.823 -0.666 0.000 0.867 559 V HN 0.552 nan 8.190 nan 0.000 0.498 560 P HA 0.256 nan 4.420 nan 0.000 0.268 560 P C -0.323 176.900 177.300 -0.129 0.000 1.208 560 P CA 0.182 63.183 63.100 -0.165 0.000 0.777 560 P CB 0.403 32.069 31.700 -0.057 0.000 0.875 561 M N -1.210 118.345 119.600 -0.076 0.000 2.790 561 M HA 0.573 5.053 4.480 -0.000 0.000 0.272 561 M C -1.977 174.295 176.300 -0.046 0.000 1.168 561 M CA -1.039 54.222 55.300 -0.064 0.000 0.829 561 M CB 1.520 34.077 32.600 -0.072 0.000 1.675 561 M HN -0.135 nan 8.290 nan 0.000 0.505 562 V N 0.996 120.860 119.914 -0.084 0.000 2.540 562 V HA 0.809 4.929 4.120 -0.000 0.000 0.302 562 V C -0.416 175.549 176.094 -0.214 0.000 1.035 562 V CA -0.186 62.033 62.300 -0.134 0.000 0.873 562 V CB 1.898 33.613 31.823 -0.180 0.000 0.992 562 V HN 1.023 nan 8.190 nan 0.000 0.428 563 T N 2.984 117.410 114.554 -0.214 0.000 2.907 563 T HA 0.757 5.107 4.350 -0.000 0.000 0.290 563 T C -0.823 173.642 174.700 -0.392 0.000 1.066 563 T CA -0.631 61.301 62.100 -0.280 0.000 1.012 563 T CB 2.212 71.076 68.868 -0.007 0.000 1.184 563 T HN 0.361 nan 8.240 nan 0.000 0.522 564 V N 1.795 121.366 119.914 -0.571 0.000 2.588 564 V HA 0.519 4.639 4.120 -0.000 0.000 0.304 564 V C -0.735 175.122 176.094 -0.395 0.000 1.042 564 V CA -0.760 61.199 62.300 -0.568 0.000 0.877 564 V CB 1.511 32.689 31.823 -1.074 0.000 0.996 564 V HN 0.870 nan 8.190 nan 0.000 0.425 565 H N 3.030 121.672 119.070 -0.713 0.000 2.894 565 H HA 0.452 5.008 4.556 -0.000 0.000 0.368 565 H C -0.857 174.212 175.328 -0.432 0.000 1.181 565 H CA -0.990 54.660 56.048 -0.662 0.000 1.146 565 H CB 2.587 31.738 29.762 -1.017 0.000 1.839 565 H HN 0.699 nan 8.280 nan 0.000 0.557 566 N N 0.742 119.464 118.700 0.037 0.000 2.501 566 N HA 0.003 4.743 4.740 -0.000 0.000 0.245 566 N C 0.707 176.344 175.510 0.211 0.000 0.974 566 N CA -0.218 53.007 53.050 0.292 0.000 0.941 566 N CB 1.558 40.293 38.487 0.412 0.000 1.122 566 N HN 0.696 nan 8.380 nan 0.000 0.507 567 T N 2.045 116.768 114.554 0.282 0.000 2.654 567 T HA -0.394 3.956 4.350 -0.000 0.000 0.251 567 T C 1.543 176.437 174.700 0.323 0.000 1.163 567 T CA 3.689 66.051 62.100 0.436 0.000 1.136 567 T CB -0.784 68.249 68.868 0.275 0.000 0.839 567 T HN 0.813 nan 8.240 nan 0.000 0.466 568 T N -0.186 114.486 114.554 0.197 0.000 2.542 568 T HA -0.135 4.215 4.350 -0.000 0.000 0.257 568 T C 1.788 176.580 174.700 0.152 0.000 1.111 568 T CA 1.693 63.886 62.100 0.155 0.000 1.203 568 T CB -1.133 67.795 68.868 0.099 0.000 0.866 568 T HN 0.462 nan 8.240 nan 0.000 0.399 569 D N 1.587 122.066 120.400 0.131 0.000 2.157 569 D HA -0.211 4.429 4.640 -0.000 0.000 0.191 569 D C 1.065 177.441 176.300 0.126 0.000 1.004 569 D CA 1.831 55.897 54.000 0.110 0.000 0.854 569 D CB -0.209 40.648 40.800 0.096 0.000 0.936 569 D HN 0.668 nan 8.370 nan 0.000 0.446 570 K N -1.128 119.382 120.400 0.183 0.000 3.509 570 K HA -0.198 4.122 4.320 -0.000 0.000 0.302 570 K C 0.262 176.995 176.600 0.221 0.000 1.355 570 K CA 0.671 57.110 56.287 0.254 0.000 0.953 570 K CB -1.297 31.315 32.500 0.188 0.000 1.321 570 K HN 0.235 nan 8.250 nan 0.000 0.461 571 K N 2.823 123.256 120.400 0.055 0.000 2.297 571 K HA 0.105 4.425 4.320 -0.000 0.000 0.286 571 K C -0.139 176.224 176.600 -0.395 0.000 1.053 571 K CA -0.348 55.884 56.287 -0.092 0.000 0.940 571 K CB 0.753 33.229 32.500 -0.040 0.000 1.019 571 K HN 0.067 nan 8.250 nan 0.000 0.475 572 K N 6.172 126.198 120.400 -0.624 0.000 2.250 572 K HA -0.042 4.278 4.320 -0.000 0.000 0.277 572 K C 0.858 177.209 176.600 -0.415 0.000 1.091 572 K CA 0.140 55.889 56.287 -0.896 0.000 1.046 572 K CB 0.180 32.344 32.500 -0.560 0.000 0.982 572 K HN 0.729 nan 8.250 nan 0.000 0.429 573 M N 3.893 123.290 119.600 -0.338 0.000 2.358 573 M HA -0.061 4.419 4.480 -0.000 0.000 0.264 573 M C -0.209 176.240 176.300 0.248 0.000 1.064 573 M CA 1.075 56.375 55.300 -0.000 0.000 1.093 573 M CB -0.506 32.167 32.600 0.122 0.000 1.401 573 M HN 0.628 nan 8.290 nan 0.000 0.440 574 F N -3.817 115.970 119.950 -0.271 0.000 3.008 574 F HA 0.295 4.822 4.527 -0.000 0.000 0.337 574 F C -2.281 173.361 175.800 -0.263 0.000 1.105 574 F CA -2.205 55.656 58.000 -0.231 0.000 0.866 574 F CB 0.172 39.038 39.000 -0.224 0.000 1.571 574 F HN -0.282 nan 8.300 nan 0.000 0.448 575 D N 1.910 122.203 120.400 -0.179 0.000 2.168 575 D HA 0.431 5.071 4.640 -0.000 0.000 0.246 575 D C 0.395 176.540 176.300 -0.259 0.000 1.050 575 D CA -0.262 53.578 54.000 -0.267 0.000 0.857 575 D CB 2.505 43.241 40.800 -0.106 0.000 1.169 575 D HN 0.625 nan 8.370 nan 0.000 0.453 576 L N 1.655 122.647 121.223 -0.386 0.000 2.286 576 L HA 0.165 4.505 4.340 -0.000 0.000 0.203 576 L C 0.090 176.883 176.870 -0.128 0.000 1.068 576 L CA 1.364 56.010 54.840 -0.324 0.000 0.811 576 L CB 0.169 41.937 42.059 -0.485 0.000 0.989 576 L HN 0.360 nan 8.230 nan 0.000 0.467 577 E N -2.420 117.714 120.200 -0.109 0.000 2.311 577 E HA 0.241 4.591 4.350 -0.000 0.000 0.281 577 E C -0.123 176.448 176.600 -0.048 0.000 0.905 577 E CA 0.406 56.789 56.400 -0.028 0.000 0.778 577 E CB 1.527 31.229 29.700 0.003 0.000 1.240 577 E HN -0.008 nan 8.360 nan 0.000 0.410 578 T N 2.487 117.024 114.554 -0.027 0.000 2.969 578 T HA 0.170 4.520 4.350 -0.000 0.000 0.250 578 T C -0.159 174.504 174.700 -0.061 0.000 1.021 578 T CA 0.666 62.738 62.100 -0.046 0.000 1.003 578 T CB -0.317 68.532 68.868 -0.032 0.000 1.040 578 T HN 0.595 nan 8.240 nan 0.000 0.492 579 N N 2.249 120.920 118.700 -0.049 0.000 2.696 579 N HA -0.170 4.570 4.740 -0.000 0.000 0.256 579 N C 0.308 175.784 175.510 -0.057 0.000 1.031 579 N CA 0.768 53.764 53.050 -0.091 0.000 0.730 579 N CB -0.660 37.739 38.487 -0.145 0.000 0.894 579 N HN 0.545 nan 8.380 nan 0.000 0.544 580 E N 0.347 120.555 120.200 0.014 0.000 2.106 580 E HA -0.127 4.223 4.350 -0.000 0.000 0.192 580 E C 1.358 177.929 176.600 -0.048 0.000 0.984 580 E CA 1.681 58.062 56.400 -0.032 0.000 0.806 580 E CB -0.009 29.667 29.700 -0.040 0.000 0.750 580 E HN 0.585 nan 8.360 nan 0.000 0.458 581 H N -0.548 118.439 119.070 -0.138 0.000 2.267 581 H HA -0.181 4.375 4.556 -0.000 0.000 0.291 581 H C 2.105 177.306 175.328 -0.211 0.000 1.094 581 H CA 2.151 58.111 56.048 -0.148 0.000 1.227 581 H CB -0.820 28.852 29.762 -0.150 0.000 1.351 581 H HN 0.062 nan 8.280 nan 0.000 0.483 582 V N 0.927 120.792 119.914 -0.082 0.000 2.287 582 V HA -0.272 3.848 4.120 -0.000 0.000 0.248 582 V C 2.143 178.097 176.094 -0.234 0.000 1.053 582 V CA 2.096 64.270 62.300 -0.210 0.000 1.027 582 V CB -0.449 31.277 31.823 -0.161 0.000 0.646 582 V HN 0.445 nan 8.190 nan 0.000 0.447 583 K N 0.161 120.453 120.400 -0.182 0.000 2.097 583 K HA -0.221 4.099 4.320 -0.000 0.000 0.206 583 K C 2.222 178.734 176.600 -0.146 0.000 1.049 583 K CA 1.483 57.670 56.287 -0.166 0.000 0.933 583 K CB -0.194 32.224 32.500 -0.137 0.000 0.717 583 K HN 0.456 nan 8.250 nan 0.000 0.442 584 K N 1.295 121.606 120.400 -0.149 0.000 1.967 584 K HA -0.123 4.197 4.320 -0.000 0.000 0.212 584 K C 2.278 178.781 176.600 -0.162 0.000 1.044 584 K CA 1.299 57.506 56.287 -0.134 0.000 0.942 584 K CB -0.262 32.157 32.500 -0.134 0.000 0.726 584 K HN 0.059 nan 8.250 nan 0.000 0.440 585 A N 2.051 124.719 122.820 -0.254 0.000 1.940 585 A HA -0.246 4.074 4.320 -0.000 0.000 0.221 585 A C 2.199 179.582 177.584 -0.335 0.000 1.190 585 A CA 2.036 53.842 52.037 -0.384 0.000 0.647 585 A CB -0.875 17.623 19.000 -0.837 0.000 0.821 585 A HN 0.643 nan 8.150 nan 0.000 0.457 586 I N -0.722 119.666 120.570 -0.304 0.000 2.252 586 I HA -0.230 3.940 4.170 -0.000 0.000 0.245 586 I C 1.474 177.587 176.117 -0.007 0.000 1.102 586 I CA 1.807 63.064 61.300 -0.071 0.000 1.385 586 I CB -0.265 37.727 38.000 -0.012 0.000 1.064 586 I HN 0.245 nan 8.210 nan 0.000 0.414 587 N N 1.381 120.054 118.700 -0.045 0.000 2.573 587 N HA -0.121 4.619 4.740 -0.000 0.000 0.187 587 N C 0.640 176.148 175.510 -0.004 0.000 1.107 587 N CA 0.906 53.943 53.050 -0.021 0.000 0.918 587 N CB -0.304 38.160 38.487 -0.038 0.000 0.966 587 N HN 0.494 nan 8.380 nan 0.000 0.448 588 D N -0.620 119.780 120.400 0.001 0.000 2.349 588 D HA 0.076 4.716 4.640 -0.000 0.000 0.214 588 D C 0.426 176.761 176.300 0.059 0.000 1.063 588 D CA 0.251 54.265 54.000 0.024 0.000 0.847 588 D CB 0.627 41.442 40.800 0.024 0.000 0.933 588 D HN 0.066 nan 8.370 nan 0.000 0.513 589 R N 0.297 120.843 120.500 0.077 0.000 2.803 589 R HA 0.319 4.659 4.340 -0.000 0.000 0.276 589 R C -0.360 175.981 176.300 0.067 0.000 0.978 589 R CA -0.550 55.609 56.100 0.098 0.000 0.939 589 R CB 1.317 31.725 30.300 0.181 0.000 1.179 589 R HN -0.148 nan 8.270 nan 0.000 0.472 590 Q N 3.373 123.203 119.800 0.051 0.000 3.159 590 Q HA 0.138 4.478 4.340 -0.000 0.000 0.280 590 Q C -0.328 175.688 176.000 0.026 0.000 1.403 590 Q CA -0.034 55.788 55.803 0.033 0.000 0.957 590 Q CB 0.171 28.924 28.738 0.025 0.000 1.729 590 Q HN 0.197 nan 8.270 nan 0.000 0.551 591 M N 3.195 122.817 119.600 0.036 0.000 2.248 591 M HA 0.072 4.552 4.480 -0.000 0.000 0.343 591 M C -1.842 174.450 176.300 -0.014 0.000 1.243 591 M CA -1.778 53.537 55.300 0.026 0.000 1.025 591 M CB -0.674 31.959 32.600 0.055 0.000 1.759 591 M HN 0.238 nan 8.290 nan 0.000 0.452 592 P HA 0.069 nan 4.420 nan 0.000 0.268 592 P C -0.771 176.471 177.300 -0.097 0.000 1.208 592 P CA -0.079 62.967 63.100 -0.091 0.000 0.777 592 P CB 0.646 32.266 31.700 -0.132 0.000 0.875 593 K N 1.786 122.105 120.400 -0.135 0.000 2.234 593 K HA 0.331 4.651 4.320 -0.000 0.000 0.277 593 K C -0.524 175.958 176.600 -0.198 0.000 1.038 593 K CA -0.743 55.459 56.287 -0.140 0.000 0.888 593 K CB 0.603 33.017 32.500 -0.143 0.000 1.091 593 K HN 0.162 nan 8.250 nan 0.000 0.467 594 V N 3.389 123.202 119.914 -0.168 0.000 2.953 594 V HA 0.278 4.398 4.120 -0.000 0.000 0.304 594 V C -0.175 175.748 176.094 -0.285 0.000 1.073 594 V CA -0.192 61.958 62.300 -0.250 0.000 1.064 594 V CB 1.216 32.927 31.823 -0.187 0.000 1.047 594 V HN 0.878 nan 8.190 nan 0.000 0.478 595 E N 1.185 121.107 120.200 -0.462 0.000 2.506 595 E HA 0.345 4.695 4.350 -0.000 0.000 0.308 595 E C -2.070 174.250 176.600 -0.468 0.000 0.931 595 E CA -0.530 55.663 56.400 -0.346 0.000 0.800 595 E CB 1.788 31.342 29.700 -0.243 0.000 1.292 595 E HN 0.632 nan 8.360 nan 0.000 0.401 596 Y N 1.165 121.451 120.300 -0.022 0.000 2.342 596 Y HA 0.487 5.037 4.550 -0.000 0.000 0.334 596 Y C 0.530 176.433 175.900 0.006 0.000 1.067 596 Y CA -0.718 57.381 58.100 -0.002 0.000 1.128 596 Y CB 1.544 40.010 38.460 0.010 0.000 1.200 596 Y HN 0.326 nan 8.280 nan 0.000 0.464 597 R N 2.286 122.868 120.500 0.136 0.000 2.754 597 R HA 0.239 4.579 4.340 -0.000 0.000 0.255 597 R C -1.698 174.658 176.300 0.094 0.000 1.723 597 R CA -0.610 55.545 56.100 0.092 0.000 1.596 597 R CB -0.132 30.197 30.300 0.049 0.000 1.424 597 R HN 0.737 nan 8.270 nan 0.000 0.662 598 D N 2.509 122.975 120.400 0.109 0.000 2.581 598 D HA -0.098 4.542 4.640 -0.000 0.000 0.238 598 D C 0.399 176.749 176.300 0.083 0.000 1.145 598 D CA 0.661 54.721 54.000 0.100 0.000 0.866 598 D CB 0.667 41.525 40.800 0.096 0.000 1.151 598 D HN 0.194 nan 8.370 nan 0.000 0.500 599 I N 1.238 121.857 120.570 0.082 0.000 3.573 599 I HA 0.522 4.692 4.170 -0.000 0.000 0.285 599 I C -0.443 175.723 176.117 0.083 0.000 1.203 599 I CA -0.941 60.402 61.300 0.072 0.000 1.033 599 I CB 1.513 39.551 38.000 0.063 0.000 1.348 599 I HN 0.677 nan 8.210 nan 0.000 0.525 600 E N 1.663 121.911 120.200 0.080 0.000 2.400 600 E HA 0.455 4.805 4.350 -0.000 0.000 0.285 600 E C -1.881 174.776 176.600 0.094 0.000 1.005 600 E CA -0.641 55.818 56.400 0.097 0.000 0.816 600 E CB 1.562 31.317 29.700 0.092 0.000 1.220 600 E HN 0.378 nan 8.360 nan 0.000 0.426 601 I N 2.178 122.825 120.570 0.128 0.000 2.478 601 I HA 0.330 4.500 4.170 -0.000 0.000 0.287 601 I C -0.649 175.564 176.117 0.161 0.000 1.042 601 I CA -0.447 60.927 61.300 0.125 0.000 1.067 601 I CB 1.379 39.453 38.000 0.124 0.000 1.233 601 I HN 0.719 nan 8.210 nan 0.000 0.431 602 D N 3.076 123.528 120.400 0.086 0.000 3.635 602 D HA -0.241 4.399 4.640 -0.000 0.000 0.258 602 D C 0.391 176.647 176.300 -0.074 0.000 1.899 602 D CA 1.585 55.596 54.000 0.018 0.000 1.163 602 D CB -0.034 40.800 40.800 0.056 0.000 0.848 602 D HN 0.850 nan 8.370 nan 0.000 1.044 603 D N 0.046 120.278 120.400 -0.280 0.000 2.368 603 D HA -0.094 4.546 4.640 -0.000 0.000 0.250 603 D C -0.144 175.934 176.300 -0.369 0.000 1.142 603 D CA 0.715 54.515 54.000 -0.333 0.000 0.925 603 D CB -0.624 39.944 40.800 -0.387 0.000 0.896 603 D HN 0.432 nan 8.370 nan 0.000 0.525 604 Y N 0.757 121.083 120.300 0.045 0.000 2.429 604 Y HA 0.263 4.813 4.550 -0.000 0.000 0.342 604 Y C 0.676 176.609 175.900 0.056 0.000 1.004 604 Y CA -1.480 56.651 58.100 0.052 0.000 1.075 604 Y CB 1.326 39.811 38.460 0.042 0.000 1.214 604 Y HN -0.111 nan 8.280 nan 0.000 0.455 605 N N 3.652 122.490 118.700 0.232 0.000 2.446 605 N HA 0.303 5.043 4.740 -0.000 0.000 0.265 605 N C -1.633 173.967 175.510 0.149 0.000 0.975 605 N CA -0.456 52.688 53.050 0.157 0.000 0.928 605 N CB 1.343 39.907 38.487 0.129 0.000 1.160 605 N HN 0.688 nan 8.380 nan 0.000 0.495 606 L N 2.340 123.638 121.223 0.125 0.000 2.261 606 L HA 0.406 4.746 4.340 -0.000 0.000 0.289 606 L C -2.213 174.720 176.870 0.105 0.000 1.059 606 L CA -1.925 52.978 54.840 0.105 0.000 0.816 606 L CB 0.893 43.003 42.059 0.086 0.000 1.191 606 L HN 0.233 nan 8.230 nan 0.000 0.431 607 P HA 0.189 nan 4.420 nan 0.000 0.269 607 P C -0.717 176.659 177.300 0.126 0.000 1.215 607 P CA -0.210 62.969 63.100 0.132 0.000 0.780 607 P CB 0.677 32.464 31.700 0.145 0.000 0.898 608 M N -0.179 119.501 119.600 0.134 0.000 2.356 608 M HA 0.316 4.796 4.480 -0.000 0.000 0.215 608 M C -1.075 175.255 176.300 0.051 0.000 0.978 608 M CA -0.769 54.586 55.300 0.090 0.000 0.972 608 M CB 1.522 34.160 32.600 0.063 0.000 2.529 608 M HN 0.196 nan 8.290 nan 0.000 0.447 609 Q N 2.916 122.722 119.800 0.010 0.000 2.293 609 Q HA 0.732 5.072 4.340 -0.000 0.000 0.251 609 Q C -0.887 174.992 176.000 -0.202 0.000 0.930 609 Q CA -0.777 54.895 55.803 -0.218 0.000 0.893 609 Q CB 2.124 30.627 28.738 -0.391 0.000 1.215 609 Q HN 0.832 nan 8.270 nan 0.000 0.425 610 I N 2.100 122.512 120.570 -0.263 0.000 2.465 610 I HA 0.403 4.573 4.170 -0.000 0.000 0.291 610 I C -1.814 174.134 176.117 -0.282 0.000 1.014 610 I CA -1.102 60.069 61.300 -0.215 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 7.328 128.397 121.223 -0.258 0.000 2.272 611 L HA 0.538 4.878 4.340 -0.000 0.000 0.289 611 L C -0.058 176.622 176.870 -0.316 0.000 1.032 611 L CA -0.657 54.017 54.840 -0.276 0.000 0.810 611 L CB 0.922 42.837 42.059 -0.241 0.000 1.205 611 L HN 0.595 nan 8.230 nan 0.000 0.422 612 K N 4.460 124.631 120.400 -0.382 0.000 2.164 612 K HA 0.326 4.646 4.320 -0.000 0.000 0.258 612 K C -1.621 174.788 176.600 -0.318 0.000 0.951 612 K CA -1.729 54.246 56.287 -0.519 0.000 0.844 612 K CB 1.791 33.768 32.500 -0.872 0.000 1.099 612 K HN 0.260 nan 8.250 nan 0.000 0.435 613 P HA -0.308 nan 4.420 nan 0.000 0.224 613 P C 0.403 177.695 177.300 -0.014 0.000 1.138 613 P CA 1.811 64.865 63.100 -0.076 0.000 0.780 613 P CB 0.008 31.725 31.700 0.029 0.000 0.755 614 A N -1.744 121.058 122.820 -0.031 0.000 4.152 614 A HA -0.220 4.100 4.320 -0.000 0.000 0.256 614 A C 1.269 178.884 177.584 0.051 0.000 0.844 614 A CA 2.129 54.168 52.037 0.004 0.000 1.324 614 A CB -2.966 16.032 19.000 -0.003 0.000 1.032 614 A HN 0.456 nan 8.150 nan 0.000 0.773 615 T N -3.417 111.192 114.554 0.091 0.000 3.331 615 T HA 0.543 4.893 4.350 -0.000 0.000 0.282 615 T C -0.098 174.691 174.700 0.148 0.000 1.010 615 T CA 0.401 62.557 62.100 0.093 0.000 0.928 615 T CB -0.459 68.456 68.868 0.078 0.000 1.154 615 T HN 1.237 nan 8.240 nan 0.000 0.516 616 F N 3.027 122.964 119.950 -0.022 0.000 2.543 616 F HA 0.443 4.970 4.527 -0.000 0.000 0.375 616 F C 0.598 176.398 175.800 0.000 0.000 1.075 616 F CA 0.356 58.330 58.000 -0.043 0.000 1.225 616 F CB 0.539 39.387 39.000 -0.252 0.000 1.099 616 F HN 0.122 nan 8.300 nan 0.000 0.561 617 T N 4.149 118.357 114.554 -0.576 0.000 2.886 617 T HA 0.160 4.510 4.350 -0.000 0.000 0.259 617 T C 0.231 174.351 174.700 -0.967 0.000 1.125 617 T CA -0.147 61.631 62.100 -0.537 0.000 0.988 617 T CB 0.603 69.342 68.868 -0.216 0.000 2.203 617 T HN 0.701 nan 8.240 nan 0.000 0.552 618 D N -1.311 118.822 120.400 -0.444 0.000 2.345 618 D HA 0.099 4.739 4.640 -0.000 0.000 0.290 618 D C 1.513 177.786 176.300 -0.044 0.000 1.107 618 D CA 0.339 54.171 54.000 -0.280 0.000 0.836 618 D CB 0.290 40.991 40.800 -0.165 0.000 1.406 618 D HN 0.385 nan 8.370 nan 0.000 0.532 619 T N 0.252 114.776 114.554 -0.049 0.000 2.639 619 T HA -0.040 4.310 4.350 -0.000 0.000 0.261 619 T C 1.344 176.099 174.700 0.092 0.000 1.053 619 T CA 1.633 63.745 62.100 0.020 0.000 1.158 619 T CB -0.855 68.001 68.868 -0.020 0.000 0.863 619 T HN 0.308 nan 8.240 nan 0.000 0.413 620 T N 1.291 115.844 114.554 -0.002 0.000 2.906 620 T HA 0.035 4.385 4.350 -0.000 0.000 0.320 620 T C -0.500 174.216 174.700 0.028 0.000 1.088 620 T CA -0.291 61.767 62.100 -0.071 0.000 1.120 620 T CB 0.066 68.745 68.868 -0.315 0.000 1.000 620 T HN 0.296 nan 8.240 nan 0.000 0.550 621 H N 1.326 120.258 119.070 -0.229 0.000 2.476 621 H HA 0.498 5.054 4.556 -0.000 0.000 0.328 621 H C -0.801 174.402 175.328 -0.208 0.000 1.073 621 H CA -0.697 55.295 56.048 -0.092 0.000 1.229 621 H CB 0.494 30.218 29.762 -0.062 0.000 1.432 621 H HN 0.637 nan 8.280 nan 0.000 0.477 622 Y N 3.326 123.681 120.300 0.092 0.000 2.496 622 Y HA 0.362 4.912 4.550 -0.000 0.000 0.331 622 Y C -2.088 173.745 175.900 -0.112 0.000 1.140 622 Y CA -2.727 55.383 58.100 0.017 0.000 1.166 622 Y CB 1.057 39.568 38.460 0.085 0.000 1.249 622 Y HN 0.521 nan 8.280 nan 0.000 0.479 623 P HA 0.138 nan 4.420 nan 0.000 0.282 623 P C -1.072 176.051 177.300 -0.295 0.000 1.249 623 P CA -0.260 62.546 63.100 -0.490 0.000 0.806 623 P CB 1.737 32.620 31.700 -1.362 0.000 0.984 624 L N 3.948 125.064 121.223 -0.177 0.000 2.282 624 L HA 0.386 4.726 4.340 -0.000 0.000 0.288 624 L C -0.707 176.253 176.870 0.150 0.000 1.033 624 L CA -0.990 53.843 54.840 -0.013 0.000 0.807 624 L CB 1.221 43.263 42.059 -0.027 0.000 1.209 624 L HN 0.296 nan 8.230 nan 0.000 0.423 625 L N 6.782 128.078 121.223 0.123 0.000 2.324 625 L HA 0.395 4.735 4.340 -0.000 0.000 0.274 625 L C -0.845 176.058 176.870 0.054 0.000 1.012 625 L CA -0.094 54.802 54.840 0.094 0.000 0.859 625 L CB 1.316 43.380 42.059 0.009 0.000 1.224 625 L HN 0.539 nan 8.230 nan 0.000 0.429 626 L N 6.141 127.442 121.223 0.131 0.000 2.315 626 L HA 0.403 4.743 4.340 -0.000 0.000 0.283 626 L C -0.966 175.991 176.870 0.145 0.000 1.089 626 L CA -0.346 54.584 54.840 0.149 0.000 0.833 626 L CB 1.086 43.301 42.059 0.261 0.000 1.170 626 L HN 0.413 nan 8.230 nan 0.000 0.442 627 V N 6.755 126.746 119.914 0.129 0.000 2.311 627 V HA 0.235 4.355 4.120 -0.000 0.000 0.275 627 V C 0.025 176.232 176.094 0.188 0.000 1.022 627 V CA -0.371 62.059 62.300 0.218 0.000 0.830 627 V CB 1.628 33.549 31.823 0.164 0.000 1.012 627 V HN 0.566 nan 8.190 nan 0.000 0.452 628 V N 4.472 124.500 119.914 0.190 0.000 2.513 628 V HA 0.567 4.687 4.120 -0.000 0.000 0.299 628 V C 0.108 176.291 176.094 0.149 0.000 1.035 628 V CA 0.103 62.488 62.300 0.142 0.000 0.889 628 V CB 2.125 34.005 31.823 0.095 0.000 0.988 628 V HN 0.923 nan 8.190 nan 0.000 0.440 629 D N 4.404 124.903 120.400 0.164 0.000 3.013 629 D HA 0.338 4.978 4.640 -0.000 0.000 0.256 629 D C 1.319 177.767 176.300 0.246 0.000 1.573 629 D CA 1.381 55.496 54.000 0.193 0.000 1.197 629 D CB 0.254 41.167 40.800 0.189 0.000 1.041 629 D HN 1.369 nan 8.370 nan 0.000 0.304 630 G N 0.068 108.993 108.800 0.209 0.000 2.143 630 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.248 630 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.248 630 G C 0.150 175.137 174.900 0.145 0.000 0.991 630 G CA 0.681 45.909 45.100 0.213 0.000 0.689 630 G HN 0.527 nan 8.290 nan 0.000 0.522 631 T N 3.535 118.136 114.554 0.078 0.000 2.853 631 T HA 0.423 4.773 4.350 -0.000 0.000 0.298 631 T C -1.611 172.920 174.700 -0.281 0.000 0.978 631 T CA -0.090 61.877 62.100 -0.222 0.000 1.152 631 T CB 1.404 70.289 68.868 0.028 0.000 0.914 631 T HN 0.276 nan 8.240 nan 0.000 0.539 632 P HA 0.116 nan 4.420 nan 0.000 0.261 632 P C 0.993 178.176 177.300 -0.196 0.000 1.183 632 P CA 0.585 63.419 63.100 -0.443 0.000 0.761 632 P CB 0.423 31.572 31.700 -0.919 0.000 0.785 633 G N 2.372 111.094 108.800 -0.129 0.000 2.279 633 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.223 633 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.223 633 G C 0.488 175.348 174.900 -0.066 0.000 1.015 633 G CA 0.300 45.334 45.100 -0.110 0.000 0.621 633 G HN 0.819 nan 8.290 nan 0.000 0.506 634 S N -0.328 115.385 115.700 0.021 0.000 2.633 634 S HA 0.606 5.076 4.470 -0.000 0.000 0.257 634 S C 0.077 174.801 174.600 0.207 0.000 1.265 634 S CA 0.867 59.148 58.200 0.135 0.000 0.980 634 S CB 1.603 64.888 63.200 0.142 0.000 1.017 634 S HN 1.140 nan 8.310 nan 0.000 0.577 635 Q N -0.909 119.073 119.800 0.302 0.000 2.263 635 Q HA 0.416 4.756 4.340 -0.000 0.000 0.262 635 Q C -0.855 175.275 176.000 0.217 0.000 0.984 635 Q CA -0.472 55.521 55.803 0.316 0.000 0.813 635 Q CB 1.695 30.729 28.738 0.492 0.000 1.299 635 Q HN 0.710 nan 8.270 nan 0.000 0.428 636 S N 1.764 117.568 115.700 0.173 0.000 2.503 636 S HA 0.145 4.615 4.470 -0.000 0.000 0.215 636 S C 0.141 174.817 174.600 0.126 0.000 1.003 636 S CA 0.066 58.349 58.200 0.139 0.000 0.910 636 S CB 0.703 63.979 63.200 0.127 0.000 0.790 636 S HN 0.483 nan 8.310 nan 0.000 0.514 637 V N 2.508 122.513 119.914 0.151 0.000 2.294 637 V HA 0.800 4.920 4.120 -0.000 0.000 0.272 637 V C -0.121 176.088 176.094 0.193 0.000 1.027 637 V CA -0.386 62.023 62.300 0.182 0.000 0.823 637 V CB 0.210 32.154 31.823 0.201 0.000 1.030 637 V HN 0.318 nan 8.190 nan 0.000 0.457 638 A N 3.378 126.316 122.820 0.196 0.000 2.587 638 A HA 0.716 5.036 4.320 -0.000 0.000 0.293 638 A C -0.076 177.619 177.584 0.185 0.000 1.087 638 A CA -0.660 51.490 52.037 0.189 0.000 0.692 638 A CB 1.363 20.495 19.000 0.219 0.000 1.291 638 A HN 0.668 nan 8.150 nan 0.000 0.407 639 E N 0.890 121.206 120.200 0.193 0.000 2.303 639 E HA 0.075 4.425 4.350 -0.000 0.000 0.211 639 E C -0.212 176.429 176.600 0.068 0.000 1.223 639 E CA 0.105 56.602 56.400 0.161 0.000 1.344 639 E CB -0.062 29.686 29.700 0.081 0.000 1.299 639 E HN 0.384 nan 8.360 nan 0.000 0.441 640 K N 0.425 120.744 120.400 -0.135 0.000 2.090 640 K HA 0.217 4.537 4.320 -0.000 0.000 0.250 640 K C -0.390 176.170 176.600 -0.067 0.000 1.004 640 K CA -0.652 55.451 56.287 -0.307 0.000 0.919 640 K CB 0.716 32.872 32.500 -0.573 0.000 1.045 640 K HN 0.013 nan 8.250 nan 0.000 0.471 641 F N 2.324 122.177 119.950 -0.162 0.000 2.375 641 F HA 0.188 4.715 4.527 -0.000 0.000 0.362 641 F C -0.439 175.311 175.800 -0.083 0.000 1.129 641 F CA -0.061 57.882 58.000 -0.096 0.000 1.154 641 F CB 0.404 39.358 39.000 -0.076 0.000 1.205 641 F HN 0.385 nan 8.300 nan 0.000 0.513 642 E N 4.301 124.125 120.200 -0.627 0.000 2.317 642 E HA 0.612 4.962 4.350 -0.000 0.000 0.270 642 E C -1.507 174.723 176.600 -0.618 0.000 0.885 642 E CA -1.117 54.971 56.400 -0.520 0.000 0.760 642 E CB 2.849 32.383 29.700 -0.276 0.000 1.227 642 E HN 0.401 nan 8.360 nan 0.000 0.434 643 V N -0.032 119.610 119.914 -0.452 0.000 2.532 643 V HA 0.661 4.781 4.120 -0.000 0.000 0.294 643 V C -0.327 175.607 176.094 -0.266 0.000 1.036 643 V CA -0.629 61.455 62.300 -0.360 0.000 0.876 643 V CB 0.768 32.418 31.823 -0.288 0.000 1.012 643 V HN 0.743 nan 8.190 nan 0.000 0.432 644 S N 3.258 118.763 115.700 -0.325 0.000 2.911 644 S HA 0.581 5.051 4.470 -0.000 0.000 0.319 644 S C 0.392 174.727 174.600 -0.442 0.000 1.154 644 S CA -0.188 57.805 58.200 -0.345 0.000 0.857 644 S CB 1.088 64.088 63.200 -0.334 0.000 1.279 644 S HN 1.439 nan 8.310 nan 0.000 0.593 645 W N 0.998 121.872 121.300 -0.709 0.000 2.468 645 W HA 0.120 4.780 4.660 -0.000 0.000 0.262 645 W C 1.119 177.468 176.519 -0.283 0.000 1.241 645 W CA 1.402 58.460 57.345 -0.478 0.000 1.232 645 W CB -0.639 28.459 29.460 -0.603 0.000 1.124 645 W HN 0.759 nan 8.180 nan 0.000 0.597 646 E N 0.532 119.848 120.200 -1.473 0.000 2.072 646 E HA -0.159 4.191 4.350 -0.000 0.000 0.191 646 E C 2.118 178.392 176.600 -0.543 0.000 0.985 646 E CA 1.999 57.705 56.400 -1.156 0.000 0.801 646 E CB -0.545 28.480 29.700 -1.126 0.000 0.750 646 E HN 0.238 nan 8.360 nan 0.000 0.452 647 T N 1.092 115.377 114.554 -0.448 0.000 2.720 647 T HA -0.147 4.203 4.350 -0.000 0.000 0.268 647 T C 2.133 176.730 174.700 -0.172 0.000 1.037 647 T CA 1.252 63.188 62.100 -0.273 0.000 1.144 647 T CB -0.246 68.473 68.868 -0.248 0.000 0.864 647 T HN -0.020 nan 8.240 nan 0.000 0.444 648 V N 1.588 121.414 119.914 -0.147 0.000 2.343 648 V HA -0.174 3.946 4.120 -0.000 0.000 0.247 648 V C 2.606 178.755 176.094 0.092 0.000 1.051 648 V CA 1.353 63.644 62.300 -0.015 0.000 1.036 648 V CB -0.587 31.273 31.823 0.061 0.000 0.654 648 V HN 0.427 nan 8.190 nan 0.000 0.451 649 M N -0.442 119.191 119.600 0.055 0.000 2.159 649 M HA -0.115 4.365 4.480 -0.000 0.000 0.263 649 M C 2.182 178.550 176.300 0.113 0.000 1.063 649 M CA 1.631 57.022 55.300 0.151 0.000 1.110 649 M CB -0.970 31.657 32.600 0.044 0.000 1.374 649 M HN 0.314 nan 8.290 nan 0.000 0.411 650 V N -1.189 118.717 119.914 -0.013 0.000 2.302 650 V HA -0.176 3.944 4.120 -0.000 0.000 0.243 650 V C 2.496 178.591 176.094 0.002 0.000 1.036 650 V CA 1.842 64.126 62.300 -0.027 0.000 1.020 650 V CB -0.887 30.870 31.823 -0.111 0.000 0.657 650 V HN 0.455 nan 8.190 nan 0.000 0.453 651 S N 0.067 115.753 115.700 -0.023 0.000 2.343 651 S HA -0.181 4.289 4.470 -0.000 0.000 0.212 651 S C 2.216 176.797 174.600 -0.033 0.000 1.033 651 S CA 2.093 60.281 58.200 -0.021 0.000 1.004 651 S CB -0.433 62.746 63.200 -0.034 0.000 0.977 651 S HN 0.536 nan 8.310 nan 0.000 0.427 652 S N 0.190 115.837 115.700 -0.087 0.000 2.423 652 S HA 0.002 4.472 4.470 -0.000 0.000 0.231 652 S C 1.000 175.320 174.600 -0.467 0.000 1.014 652 S CA 0.757 58.793 58.200 -0.274 0.000 0.965 652 S CB -0.311 62.666 63.200 -0.372 0.000 0.785 652 S HN 0.630 nan 8.310 nan 0.000 0.495 653 H N -0.362 118.754 119.070 0.078 0.000 2.662 653 H HA 0.294 4.850 4.556 -0.000 0.000 0.268 653 H C 1.036 176.441 175.328 0.129 0.000 1.152 653 H CA 0.118 56.231 56.048 0.110 0.000 1.072 653 H CB -0.045 29.802 29.762 0.143 0.000 1.660 653 H HN 0.363 nan 8.280 nan 0.000 0.584 654 G N 2.053 110.959 108.800 0.175 0.000 2.172 654 G HA2 -0.044 3.916 3.960 -0.000 0.000 0.244 654 G HA3 -0.044 3.916 3.960 -0.000 0.000 0.244 654 G C -0.100 174.967 174.900 0.278 0.000 0.743 654 G CA 0.568 45.801 45.100 0.221 0.000 1.146 654 G HN 0.656 nan 8.290 nan 0.000 0.327 655 A N 1.271 124.198 122.820 0.179 0.000 2.572 655 A HA 0.952 5.272 4.320 -0.000 0.000 0.295 655 A C -0.024 177.559 177.584 -0.002 0.000 1.072 655 A CA -0.079 52.036 52.037 0.131 0.000 0.691 655 A CB 1.927 21.025 19.000 0.163 0.000 1.291 655 A HN 2.149 nan 8.150 nan 0.000 0.404 656 V N 0.513 120.398 119.914 -0.048 0.000 2.394 656 V HA 0.776 4.896 4.120 -0.000 0.000 0.282 656 V C 0.189 176.232 176.094 -0.085 0.000 1.031 656 V CA -0.454 61.766 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 1.626 nan 8.190 nan 0.000 0.451 657 V N 3.639 123.481 119.914 -0.121 0.000 2.532 657 V HA 0.895 5.015 4.120 -0.000 0.000 0.295 657 V C -0.205 175.830 176.094 -0.098 0.000 1.041 657 V CA -0.458 61.781 62.300 -0.103 0.000 0.926 657 V CB 1.490 33.216 31.823 -0.161 0.000 0.992 657 V HN 0.829 nan 8.190 nan 0.000 0.457 658 V N 4.341 124.227 119.914 -0.048 0.000 2.588 658 V HA 0.599 4.719 4.120 -0.000 0.000 0.304 658 V C -0.102 175.993 176.094 0.002 0.000 1.042 658 V CA -0.704 61.577 62.300 -0.032 0.000 0.877 658 V CB 1.598 33.418 31.823 -0.006 0.000 0.996 658 V HN 1.030 nan 8.190 nan 0.000 0.425 659 K N 2.614 123.012 120.400 -0.003 0.000 2.318 659 K HA 0.845 5.165 4.320 -0.000 0.000 0.249 659 K C -1.221 175.410 176.600 0.051 0.000 0.942 659 K CA -0.496 55.811 56.287 0.034 0.000 0.808 659 K CB 2.300 34.814 32.500 0.024 0.000 1.189 659 K HN 0.771 nan 8.250 nan 0.000 0.428 660 C N 1.335 120.679 119.300 0.074 0.000 2.985 660 C HA 0.419 4.879 4.460 -0.000 0.000 0.332 660 C C -1.818 173.224 174.990 0.088 0.000 1.164 660 C CA -0.660 58.406 59.018 0.080 0.000 1.347 660 C CB 1.251 29.035 27.740 0.072 0.000 1.764 660 C HN 0.821 nan 8.230 nan 0.000 0.489 661 D N 3.450 123.904 120.400 0.091 0.000 2.472 661 D HA 0.453 5.093 4.640 -0.000 0.000 0.234 661 D C 0.620 176.953 176.300 0.055 0.000 1.088 661 D CA 0.348 54.398 54.000 0.084 0.000 0.882 661 D CB 1.524 42.390 40.800 0.109 0.000 1.037 661 D HN 0.898 nan 8.370 nan 0.000 0.520 662 G N 1.359 110.180 108.800 0.035 0.000 2.485 662 G HA2 0.200 4.160 3.960 -0.000 0.000 0.260 662 G HA3 0.200 4.160 3.960 -0.000 0.000 0.260 662 G C 0.275 175.135 174.900 -0.066 0.000 1.459 662 G CA -0.718 44.382 45.100 -0.000 0.000 1.060 662 G HN 0.333 nan 8.290 nan 0.000 0.546 663 R N -0.357 120.068 120.500 -0.125 0.000 2.537 663 R HA 0.410 4.750 4.340 -0.000 0.000 0.280 663 R C 0.787 177.002 176.300 -0.142 0.000 1.058 663 R CA 0.440 56.402 56.100 -0.231 0.000 1.057 663 R CB 0.278 30.392 30.300 -0.310 0.000 0.973 663 R HN 1.428 nan 8.270 nan 0.000 0.438 664 G N 1.256 109.963 108.800 -0.155 0.000 2.278 664 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.210 664 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.210 664 G C 0.039 174.868 174.900 -0.119 0.000 1.000 664 G CA 0.009 45.044 45.100 -0.109 0.000 0.635 664 G HN 0.599 nan 8.290 nan 0.000 0.495 665 S N 0.648 116.289 115.700 -0.099 0.000 2.580 665 S HA 0.517 4.987 4.470 -0.000 0.000 0.266 665 S C 1.065 175.598 174.600 -0.112 0.000 1.354 665 S CA 0.424 58.593 58.200 -0.052 0.000 1.008 665 S CB 1.102 64.307 63.200 0.008 0.000 0.898 665 S HN 1.283 nan 8.310 nan 0.000 0.555 666 G N -0.692 108.043 108.800 -0.108 0.000 2.642 666 G HA2 0.562 4.522 3.960 -0.000 0.000 0.291 666 G HA3 0.562 4.522 3.960 -0.000 0.000 0.291 666 G C -0.678 174.113 174.900 -0.182 0.000 1.345 666 G CA -0.934 43.964 45.100 -0.336 0.000 1.043 666 G HN 0.621 nan 8.290 nan 0.000 0.528 667 F N -1.867 118.090 119.950 0.011 0.000 3.069 667 F HA -0.176 4.351 4.527 -0.000 0.000 0.285 667 F C 1.093 176.936 175.800 0.071 0.000 0.827 667 F CA 1.154 59.184 58.000 0.050 0.000 1.108 667 F CB -1.783 37.265 39.000 0.080 0.000 1.252 667 F HN 0.431 nan 8.300 nan 0.000 0.483 668 Q N -0.236 119.591 119.800 0.044 0.000 2.275 668 Q HA 0.463 4.803 4.340 -0.000 0.000 0.314 668 Q C 0.638 176.412 176.000 -0.377 0.000 0.851 668 Q CA 0.047 55.875 55.803 0.042 0.000 1.083 668 Q CB 1.193 30.000 28.738 0.115 0.000 1.341 668 Q HN 0.582 nan 8.270 nan 0.000 0.402 669 G N 0.264 108.553 108.800 -0.851 0.000 2.797 669 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.686 669 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.686 669 G C 0.631 175.123 174.900 -0.680 0.000 1.452 669 G CA -0.051 44.261 45.100 -1.315 0.000 0.986 669 G HN 0.209 nan 8.290 nan 0.000 0.595 670 T N 1.562 115.734 114.554 -0.636 0.000 2.624 670 T HA -0.297 4.053 4.350 -0.000 0.000 0.266 670 T C 2.438 176.744 174.700 -0.656 0.000 1.050 670 T CA 2.309 63.985 62.100 -0.707 0.000 1.163 670 T CB -0.281 68.237 68.868 -0.583 0.000 0.861 670 T HN 0.796 nan 8.240 nan 0.000 0.443 671 K N 0.179 120.370 120.400 -0.350 0.000 2.034 671 K HA -0.190 4.130 4.320 -0.000 0.000 0.214 671 K C 2.304 178.839 176.600 -0.108 0.000 1.051 671 K CA 1.767 57.985 56.287 -0.115 0.000 0.931 671 K CB -0.427 32.113 32.500 0.067 0.000 0.715 671 K HN 0.215 nan 8.250 nan 0.000 0.446 672 L N 1.275 122.402 121.223 -0.160 0.000 1.989 672 L HA -0.173 4.167 4.340 -0.000 0.000 0.211 672 L C 2.225 178.878 176.870 -0.362 0.000 1.071 672 L CA 1.481 56.058 54.840 -0.438 0.000 0.749 672 L CB -0.782 41.076 42.059 -0.335 0.000 0.890 672 L HN 0.329 nan 8.230 nan 0.000 0.431 673 L N -0.230 120.781 121.223 -0.354 0.000 1.990 673 L HA -0.301 4.039 4.340 -0.000 0.000 0.213 673 L C 2.383 179.173 176.870 -0.134 0.000 1.072 673 L CA 2.240 56.897 54.840 -0.304 0.000 0.755 673 L CB -1.029 40.734 42.059 -0.493 0.000 0.889 673 L HN 0.516 nan 8.230 nan 0.000 0.432 674 H N -1.791 117.072 119.070 -0.346 0.000 2.559 674 H HA -0.086 4.470 4.556 -0.000 0.000 0.273 674 H C 1.721 177.005 175.328 -0.073 0.000 1.000 674 H CA 0.372 56.216 56.048 -0.340 0.000 1.195 674 H CB 0.271 29.751 29.762 -0.470 0.000 1.368 674 H HN 0.416 nan 8.280 nan 0.000 0.592 675 E N 1.029 121.238 120.200 0.015 0.000 2.267 675 E HA -0.130 4.220 4.350 -0.000 0.000 0.197 675 E C 1.982 178.606 176.600 0.040 0.000 0.998 675 E CA 1.005 57.408 56.400 0.004 0.000 0.830 675 E CB 0.082 29.711 29.700 -0.118 0.000 0.751 675 E HN 0.487 nan 8.360 nan 0.000 0.491 676 V N -1.513 118.446 119.914 0.074 0.000 3.649 676 V HA 0.234 4.354 4.120 -0.000 0.000 0.275 676 V C 0.991 177.133 176.094 0.079 0.000 1.281 676 V CA -0.107 62.219 62.300 0.044 0.000 1.143 676 V CB -0.576 31.224 31.823 -0.038 0.000 0.892 676 V HN -0.009 nan 8.190 nan 0.000 0.441 677 R N 2.214 122.848 120.500 0.223 0.000 2.494 677 R HA 0.030 4.370 4.340 -0.000 0.000 0.291 677 R C 1.144 177.484 176.300 0.066 0.000 0.953 677 R CA 0.909 57.146 56.100 0.228 0.000 1.098 677 R CB -0.568 29.879 30.300 0.245 0.000 0.911 677 R HN 0.585 nan 8.270 nan 0.000 0.407 678 R N 2.392 122.888 120.500 -0.007 0.000 4.023 678 R HA -0.287 4.053 4.340 -0.000 0.000 0.368 678 R C 0.023 176.303 176.300 -0.034 0.000 1.187 678 R CA 1.900 57.974 56.100 -0.044 0.000 1.089 678 R CB -1.150 29.151 30.300 0.001 0.000 1.574 678 R HN 0.727 nan 8.270 nan 0.000 0.564 679 R N 0.312 120.793 120.500 -0.031 0.000 2.600 679 R HA 0.173 4.513 4.340 -0.000 0.000 0.392 679 R C -0.371 175.914 176.300 -0.025 0.000 1.032 679 R CA -0.744 55.353 56.100 -0.006 0.000 1.139 679 R CB 0.479 30.789 30.300 0.018 0.000 1.400 679 R HN -0.118 nan 8.270 nan 0.000 0.566 680 L N 1.294 122.458 121.223 -0.097 0.000 2.720 680 L HA -0.116 4.224 4.340 -0.000 0.000 0.289 680 L C 1.407 178.325 176.870 0.079 0.000 1.232 680 L CA 2.018 56.802 54.840 -0.093 0.000 0.915 680 L CB 0.036 41.865 42.059 -0.383 0.000 1.184 680 L HN 0.655 nan 8.230 nan 0.000 0.491 681 G N 2.576 111.445 108.800 0.116 0.000 2.205 681 G HA2 -0.355 3.605 3.960 -0.000 0.000 0.261 681 G HA3 -0.355 3.605 3.960 -0.000 0.000 0.261 681 G C 0.660 175.260 174.900 -0.500 0.000 0.980 681 G CA 0.609 45.632 45.100 -0.129 0.000 0.632 681 G HN 0.685 nan 8.290 nan 0.000 0.533 682 L N 0.464 121.584 121.223 -0.173 0.000 2.116 682 L HA 0.468 4.808 4.340 -0.000 0.000 0.200 682 L C 2.750 179.582 176.870 -0.063 0.000 1.084 682 L CA 1.993 56.779 54.840 -0.089 0.000 0.766 682 L CB -0.824 41.254 42.059 0.031 0.000 0.930 682 L HN 0.253 nan 8.230 nan 0.000 0.453 683 L N 0.511 121.717 121.223 -0.029 0.000 1.970 683 L HA -0.198 4.142 4.340 -0.000 0.000 0.212 683 L C 2.662 179.519 176.870 -0.022 0.000 1.071 683 L CA 1.819 56.653 54.840 -0.010 0.000 0.751 683 L CB -1.313 40.742 42.059 -0.007 0.000 0.889 683 L HN 0.457 nan 8.230 nan 0.000 0.432 684 E N 1.199 121.377 120.200 -0.035 0.000 2.284 684 E HA -0.304 4.046 4.350 -0.000 0.000 0.200 684 E C 1.715 178.295 176.600 -0.033 0.000 1.008 684 E CA 1.852 58.241 56.400 -0.018 0.000 0.829 684 E CB -0.431 29.282 29.700 0.020 0.000 0.744 684 E HN 0.712 nan 8.360 nan 0.000 0.491 685 E N 2.305 122.453 120.200 -0.087 0.000 2.072 685 E HA -0.152 4.198 4.350 -0.000 0.000 0.190 685 E C 1.851 178.472 176.600 0.036 0.000 0.982 685 E CA 1.451 57.824 56.400 -0.044 0.000 0.803 685 E CB -0.083 29.584 29.700 -0.055 0.000 0.755 685 E HN 0.292 nan 8.360 nan 0.000 0.453 686 K N 0.269 120.689 120.400 0.034 0.000 2.001 686 K HA -0.090 4.230 4.320 -0.000 0.000 0.208 686 K C 1.947 178.579 176.600 0.053 0.000 1.048 686 K CA 1.513 57.831 56.287 0.053 0.000 0.932 686 K CB -0.247 32.282 32.500 0.049 0.000 0.715 686 K HN 0.130 nan 8.250 nan 0.000 0.437 687 D N 0.774 121.199 120.400 0.042 0.000 2.133 687 D HA -0.163 4.477 4.640 -0.000 0.000 0.195 687 D C 2.140 178.475 176.300 0.058 0.000 0.997 687 D CA 1.118 55.146 54.000 0.047 0.000 0.840 687 D CB -0.021 40.798 40.800 0.032 0.000 0.947 687 D HN 0.104 nan 8.370 nan 0.000 0.452 688 Q N -0.602 119.236 119.800 0.062 0.000 2.049 688 Q HA -0.006 4.334 4.340 -0.000 0.000 0.198 688 Q C 2.125 178.190 176.000 0.109 0.000 0.971 688 Q CA 0.723 56.578 55.803 0.086 0.000 0.833 688 Q CB -0.267 28.523 28.738 0.085 0.000 0.896 688 Q HN 0.332 nan 8.270 nan 0.000 0.434 689 M N 0.560 120.228 119.600 0.113 0.000 2.213 689 M HA -0.151 4.329 4.480 -0.000 0.000 0.263 689 M C 1.872 178.216 176.300 0.073 0.000 1.062 689 M CA 1.243 56.616 55.300 0.121 0.000 1.105 689 M CB -0.781 31.890 32.600 0.120 0.000 1.385 689 M HN 0.115 nan 8.290 nan 0.000 0.417 690 E N 0.344 120.582 120.200 0.063 0.000 2.106 690 E HA -0.028 4.322 4.350 -0.000 0.000 0.192 690 E C 1.907 178.531 176.600 0.040 0.000 0.984 690 E CA 1.589 58.017 56.400 0.047 0.000 0.806 690 E CB -0.154 29.577 29.700 0.050 0.000 0.750 690 E HN 0.392 nan 8.360 nan 0.000 0.458 691 A N -0.229 122.621 122.820 0.050 0.000 2.014 691 A HA -0.065 4.255 4.320 -0.000 0.000 0.218 691 A C 2.369 179.970 177.584 0.029 0.000 1.163 691 A CA 1.306 53.369 52.037 0.043 0.000 0.652 691 A CB -0.375 18.659 19.000 0.056 0.000 0.808 691 A HN 0.184 nan 8.150 nan 0.000 0.449 692 V N -0.428 119.508 119.914 0.037 0.000 2.323 692 V HA -0.180 3.940 4.120 -0.000 0.000 0.244 692 V C 2.624 178.693 176.094 -0.041 0.000 1.041 692 V CA 2.094 64.396 62.300 0.004 0.000 1.025 692 V CB -0.751 31.079 31.823 0.012 0.000 0.656 692 V HN 0.439 nan 8.190 nan 0.000 0.451 693 R N 1.150 121.634 120.500 -0.027 0.000 2.082 693 R HA -0.155 4.185 4.340 -0.000 0.000 0.234 693 R C 2.594 178.869 176.300 -0.041 0.000 1.136 693 R CA 2.211 58.288 56.100 -0.038 0.000 0.935 693 R CB -1.398 28.894 30.300 -0.015 0.000 0.842 693 R HN 0.719 nan 8.270 nan 0.000 0.430 694 T N -2.155 112.387 114.554 -0.021 0.000 2.897 694 T HA -0.186 4.164 4.350 -0.000 0.000 0.271 694 T C 1.712 176.383 174.700 -0.049 0.000 1.084 694 T CA 1.520 63.607 62.100 -0.023 0.000 1.123 694 T CB -0.144 68.725 68.868 0.001 0.000 0.865 694 T HN 0.076 nan 8.240 nan 0.000 0.496 695 M N -0.272 119.291 119.600 -0.061 0.000 2.435 695 M HA 0.416 4.896 4.480 -0.000 0.000 0.265 695 M C 1.604 177.809 176.300 -0.159 0.000 1.104 695 M CA 0.587 55.828 55.300 -0.098 0.000 1.140 695 M CB -0.356 32.205 32.600 -0.066 0.000 1.372 695 M HN 0.181 nan 8.290 nan 0.000 0.456 696 L N 0.005 121.152 121.223 -0.127 0.000 2.217 696 L HA -0.093 4.247 4.340 -0.000 0.000 0.211 696 L C 1.973 178.756 176.870 -0.145 0.000 1.107 696 L CA 1.633 56.390 54.840 -0.139 0.000 0.783 696 L CB -0.665 41.325 42.059 -0.114 0.000 0.919 696 L HN 0.231 nan 8.230 nan 0.000 0.442 697 K N -0.453 119.873 120.400 -0.123 0.000 2.103 697 K HA -0.118 4.202 4.320 -0.000 0.000 0.207 697 K C 0.581 177.088 176.600 -0.154 0.000 1.048 697 K CA 0.484 56.708 56.287 -0.106 0.000 0.930 697 K CB -0.185 32.274 32.500 -0.068 0.000 0.716 697 K HN 0.271 nan 8.250 nan 0.000 0.444 698 E N 0.912 120.959 120.200 -0.254 0.000 2.461 698 E HA -0.144 4.206 4.350 -0.000 0.000 0.263 698 E C 0.770 177.134 176.600 -0.394 0.000 1.143 698 E CA 0.442 56.598 56.400 -0.405 0.000 0.994 698 E CB 0.460 29.593 29.700 -0.945 0.000 0.973 698 E HN 0.080 nan 8.360 nan 0.000 0.457 699 Q N 0.382 119.986 119.800 -0.326 0.000 2.352 699 Q HA -0.025 4.315 4.340 -0.000 0.000 0.212 699 Q C 0.646 176.370 176.000 -0.460 0.000 0.888 699 Q CA 0.400 56.041 55.803 -0.271 0.000 0.934 699 Q CB 0.069 28.768 28.738 -0.065 0.000 1.093 699 Q HN 0.581 nan 8.270 nan 0.000 0.523 700 Y N -0.796 119.410 120.300 -0.157 0.000 2.496 700 Y HA 0.435 4.985 4.550 -0.000 0.000 0.313 700 Y C 0.055 175.987 175.900 0.054 0.000 1.184 700 Y CA -0.814 57.278 58.100 -0.013 0.000 1.275 700 Y CB 0.041 38.707 38.460 0.344 0.000 1.103 700 Y HN -0.014 nan 8.280 nan 0.000 0.513 701 I N 2.518 122.918 120.570 -0.282 0.000 2.644 701 I HA 0.266 4.436 4.170 -0.000 0.000 0.291 701 I C -1.927 174.103 176.117 -0.145 0.000 1.180 701 I CA -0.802 60.416 61.300 -0.136 0.000 1.040 701 I CB 2.307 40.189 38.000 -0.196 0.000 1.255 701 I HN 0.331 nan 8.210 nan 0.000 0.422 702 D N 7.252 127.648 120.400 -0.007 0.000 2.349 702 D HA 0.221 4.861 4.640 -0.000 0.000 0.232 702 D C 0.821 177.117 176.300 -0.006 0.000 1.071 702 D CA -0.591 53.454 54.000 0.075 0.000 0.832 702 D CB 1.831 42.729 40.800 0.163 0.000 1.086 702 D HN 0.715 nan 8.370 nan 0.000 0.504 703 R N 2.243 122.732 120.500 -0.019 0.000 2.228 703 R HA -0.273 4.067 4.340 -0.000 0.000 0.264 703 R C 1.378 177.659 176.300 -0.033 0.000 1.179 703 R CA 2.509 58.582 56.100 -0.045 0.000 0.998 703 R CB -0.598 29.679 30.300 -0.038 0.000 0.885 703 R HN 0.651 nan 8.270 nan 0.000 0.466 704 T N -1.859 112.689 114.554 -0.009 0.000 2.867 704 T HA -0.086 4.264 4.350 -0.000 0.000 0.268 704 T C 1.088 175.807 174.700 0.032 0.000 1.057 704 T CA 0.853 62.958 62.100 0.009 0.000 1.136 704 T CB -0.115 68.760 68.868 0.011 0.000 0.874 704 T HN 0.319 nan 8.240 nan 0.000 0.466 705 R N 1.336 121.835 120.500 -0.001 0.000 3.050 705 R HA 0.544 4.884 4.340 -0.000 0.000 0.275 705 R C -1.411 174.917 176.300 0.046 0.000 1.373 705 R CA -0.333 55.780 56.100 0.022 0.000 1.612 705 R CB 1.195 31.377 30.300 -0.196 0.000 1.218 705 R HN 0.199 nan 8.270 nan 0.000 0.621 706 V N 1.231 121.240 119.914 0.158 0.000 2.417 706 V HA 0.741 4.861 4.120 -0.000 0.000 0.291 706 V C 0.066 176.411 176.094 0.417 0.000 1.024 706 V CA -0.771 61.622 62.300 0.155 0.000 0.861 706 V CB 1.535 33.270 31.823 -0.148 0.000 0.985 706 V HN 0.641 nan 8.190 nan 0.000 0.436 707 A N 3.978 127.103 122.820 0.507 0.000 2.479 707 A HA 0.966 5.286 4.320 -0.000 0.000 0.296 707 A C -1.185 176.628 177.584 0.383 0.000 1.121 707 A CA -0.747 51.572 52.037 0.470 0.000 0.743 707 A CB 2.321 21.412 19.000 0.153 0.000 1.323 707 A HN 1.060 nan 8.150 nan 0.000 0.415 708 V N 0.820 120.906 119.914 0.287 0.000 2.841 708 V HA 0.870 4.990 4.120 -0.000 0.000 0.310 708 V C -1.877 174.429 176.094 0.354 0.000 1.090 708 V CA -0.648 61.750 62.300 0.164 0.000 0.930 708 V CB 1.786 33.497 31.823 -0.187 0.000 1.014 708 V HN 1.275 nan 8.190 nan 0.000 0.425 709 F N 4.271 124.329 119.950 0.179 0.000 2.601 709 F HA 0.950 5.477 4.527 -0.000 0.000 0.309 709 F C -0.165 175.759 175.800 0.206 0.000 1.089 709 F CA 0.318 58.512 58.000 0.324 0.000 0.940 709 F CB 2.336 41.639 39.000 0.506 0.000 1.273 709 F HN 0.882 nan 8.300 nan 0.000 0.450 710 G N 3.524 111.762 108.800 -0.935 0.000 2.732 710 G HA2 0.530 4.490 3.960 -0.000 0.000 0.296 710 G HA3 0.530 4.490 3.960 -0.000 0.000 0.296 710 G C -2.474 171.972 174.900 -0.757 0.000 1.448 710 G CA -1.159 43.609 45.100 -0.553 0.000 0.911 710 G HN 0.782 nan 8.290 nan 0.000 0.528 711 K N 0.794 120.999 120.400 -0.325 0.000 2.375 711 K HA 0.854 5.174 4.320 -0.000 0.000 0.249 711 K C -0.013 176.547 176.600 -0.065 0.000 0.942 711 K CA -0.441 55.722 56.287 -0.208 0.000 0.806 711 K CB 2.438 34.911 32.500 -0.045 0.000 1.227 711 K HN 0.433 nan 8.250 nan 0.000 0.430 712 D N 0.113 120.460 120.400 -0.088 0.000 3.955 712 D HA -0.352 4.288 4.640 -0.000 0.000 0.142 712 D C 0.677 176.924 176.300 -0.089 0.000 0.877 712 D CA 2.033 55.991 54.000 -0.070 0.000 1.100 712 D CB -1.300 39.529 40.800 0.049 0.000 0.533 712 D HN 0.789 nan 8.370 nan 0.000 0.546 713 Y N 1.459 121.699 120.300 -0.101 0.000 2.403 713 Y HA 0.057 4.607 4.550 -0.000 0.000 0.291 713 Y C 2.233 178.177 175.900 0.074 0.000 1.143 713 Y CA 2.537 60.620 58.100 -0.028 0.000 1.257 713 Y CB -0.444 38.054 38.460 0.064 0.000 0.984 713 Y HN 0.340 nan 8.280 nan 0.000 0.550 714 G N -0.784 108.084 108.800 0.115 0.000 2.448 714 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.218 714 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.218 714 G C 1.823 176.664 174.900 -0.099 0.000 1.135 714 G CA 0.599 45.727 45.100 0.046 0.000 0.784 714 G HN 0.549 nan 8.290 nan 0.000 0.543 715 G N -0.189 108.523 108.800 -0.148 0.000 2.421 715 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.217 715 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.217 715 G C 1.501 176.327 174.900 -0.123 0.000 1.143 715 G CA 0.924 45.911 45.100 -0.189 0.000 0.784 715 G HN 0.464 nan 8.290 nan 0.000 0.541 716 Y N 1.134 121.260 120.300 -0.290 0.000 2.114 716 Y HA -0.055 4.495 4.550 -0.000 0.000 0.284 716 Y C 2.527 178.313 175.900 -0.190 0.000 1.143 716 Y CA 1.438 59.361 58.100 -0.295 0.000 1.135 716 Y CB -0.223 37.925 38.460 -0.519 0.000 0.980 716 Y HN 0.077 nan 8.280 nan 0.000 0.499 717 L N -0.581 120.472 121.223 -0.283 0.000 2.046 717 L HA -0.234 4.106 4.340 -0.000 0.000 0.208 717 L C 2.842 179.598 176.870 -0.189 0.000 1.077 717 L CA 1.566 56.244 54.840 -0.270 0.000 0.747 717 L CB -1.000 40.998 42.059 -0.102 0.000 0.896 717 L HN 0.298 nan 8.230 nan 0.000 0.432 718 S N -0.349 115.257 115.700 -0.157 0.000 2.359 718 S HA -0.264 4.206 4.470 -0.000 0.000 0.223 718 S C 2.093 176.579 174.600 -0.190 0.000 1.039 718 S CA 2.388 60.498 58.200 -0.150 0.000 1.042 718 S CB -0.341 62.775 63.200 -0.139 0.000 0.915 718 S HN 0.622 nan 8.310 nan 0.000 0.439 719 T N -1.788 112.668 114.554 -0.164 0.000 3.085 719 T HA -0.016 4.334 4.350 -0.000 0.000 0.263 719 T C 1.565 176.081 174.700 -0.307 0.000 1.127 719 T CA 0.837 62.782 62.100 -0.259 0.000 1.103 719 T CB -0.484 68.372 68.868 -0.021 0.000 0.921 719 T HN 0.541 nan 8.240 nan 0.000 0.510 720 Y N 1.665 121.719 120.300 -0.409 0.000 2.337 720 Y HA 0.410 4.960 4.550 -0.000 0.000 0.293 720 Y C 1.333 177.065 175.900 -0.280 0.000 1.123 720 Y CA 0.076 57.941 58.100 -0.391 0.000 1.201 720 Y CB 0.047 38.180 38.460 -0.544 0.000 1.011 720 Y HN 0.277 nan 8.280 nan 0.000 0.545 721 I N 1.355 121.883 120.570 -0.071 0.000 3.771 721 I HA 0.041 4.210 4.170 -0.000 0.000 0.327 721 I C -0.920 175.006 176.117 -0.318 0.000 1.435 721 I CA 0.101 61.325 61.300 -0.126 0.000 1.259 721 I CB -0.283 37.606 38.000 -0.185 0.000 1.292 721 I HN 0.001 nan 8.210 nan 0.000 0.429 722 L N 4.423 125.498 121.223 -0.247 0.000 2.506 722 L HA 0.500 4.840 4.340 -0.000 0.000 0.247 722 L C -2.195 174.646 176.870 -0.049 0.000 1.141 722 L CA -1.135 53.580 54.840 -0.208 0.000 0.973 722 L CB 0.388 42.253 42.059 -0.324 0.000 1.319 722 L HN 0.090 nan 8.230 nan 0.000 0.455 723 P HA 0.739 nan 4.420 nan 0.000 0.340 723 P C -1.869 175.514 177.300 0.138 0.000 1.136 723 P CA -0.866 62.286 63.100 0.086 0.000 0.834 723 P CB 2.692 34.440 31.700 0.080 0.000 1.354 724 A N -0.085 122.789 122.820 0.090 0.000 2.385 724 A HA 0.577 4.897 4.320 -0.000 0.000 0.290 724 A C -0.385 177.230 177.584 0.053 0.000 1.094 724 A CA -0.537 51.540 52.037 0.067 0.000 0.729 724 A CB 0.852 19.880 19.000 0.046 0.000 1.194 724 A HN 0.397 nan 8.150 nan 0.000 0.442 725 K N 2.299 122.725 120.400 0.043 0.000 2.382 725 K HA 0.555 4.875 4.320 -0.000 0.000 0.275 725 K C 1.068 177.682 176.600 0.023 0.000 1.009 725 K CA 1.681 57.989 56.287 0.035 0.000 0.970 725 K CB 0.249 32.763 32.500 0.023 0.000 0.934 725 K HN 2.241 nan 8.250 nan 0.000 0.479 726 G N 2.744 111.559 108.800 0.025 0.000 2.531 726 G HA2 -0.331 3.629 3.960 -0.000 0.000 0.274 726 G HA3 -0.331 3.629 3.960 -0.000 0.000 0.274 726 G C 0.418 175.329 174.900 0.020 0.000 1.159 726 G CA 0.617 45.728 45.100 0.019 0.000 0.969 726 G HN 0.794 nan 8.290 nan 0.000 0.554 727 E N -1.772 118.437 120.200 0.016 0.000 2.926 727 E HA 0.019 4.369 4.350 -0.000 0.000 0.232 727 E C 1.861 178.468 176.600 0.013 0.000 1.095 727 E CA 0.418 56.827 56.400 0.015 0.000 1.755 727 E CB -0.574 29.134 29.700 0.014 0.000 2.411 727 E HN 0.365 nan 8.360 nan 0.000 1.046 728 N N 0.949 119.655 118.700 0.011 0.000 2.270 728 N HA -0.123 4.617 4.740 -0.000 0.000 0.181 728 N C 0.849 176.364 175.510 0.007 0.000 1.016 728 N CA 0.918 53.973 53.050 0.009 0.000 0.870 728 N CB 0.029 38.520 38.487 0.007 0.000 0.979 728 N HN 0.100 nan 8.380 nan 0.000 0.431 729 Q N 1.411 121.215 119.800 0.007 0.000 3.041 729 Q HA 0.316 4.656 4.340 -0.000 0.000 0.372 729 Q C 0.019 176.022 176.000 0.005 0.000 1.241 729 Q CA -0.520 55.285 55.803 0.002 0.000 1.010 729 Q CB -0.176 28.561 28.738 -0.002 0.000 1.467 729 Q HN 0.178 nan 8.270 nan 0.000 0.462 730 G N 0.414 109.221 108.800 0.011 0.000 2.588 730 G HA2 0.319 4.279 3.960 -0.000 0.000 0.278 730 G HA3 0.319 4.279 3.960 -0.000 0.000 0.278 730 G C -0.842 174.071 174.900 0.022 0.000 1.307 730 G CA -0.620 44.492 45.100 0.020 0.000 1.016 730 G HN 0.585 nan 8.290 nan 0.000 0.503 731 Q N -1.504 118.320 119.800 0.040 0.000 2.436 731 Q HA -0.159 4.181 4.340 -0.000 0.000 0.362 731 Q C 0.958 176.977 176.000 0.032 0.000 1.423 731 Q CA 0.841 56.677 55.803 0.056 0.000 1.014 731 Q CB -2.159 26.608 28.738 0.049 0.000 1.177 731 Q HN 0.494 nan 8.270 nan 0.000 0.324 732 T N -0.698 113.875 114.554 0.031 0.000 2.896 732 T HA 0.085 4.435 4.350 -0.000 0.000 0.263 732 T C 0.322 174.849 174.700 -0.289 0.000 1.050 732 T CA 1.056 63.071 62.100 -0.142 0.000 1.140 732 T CB 0.040 68.791 68.868 -0.196 0.000 0.877 732 T HN 0.383 nan 8.240 nan 0.000 0.457 733 F N 0.523 120.507 119.950 0.057 0.000 2.507 733 F HA 0.414 4.941 4.527 -0.000 0.000 0.327 733 F C 1.422 177.279 175.800 0.096 0.000 1.068 733 F CA -0.946 57.106 58.000 0.087 0.000 0.965 733 F CB 1.578 40.632 39.000 0.089 0.000 1.192 733 F HN -0.225 nan 8.300 nan 0.000 0.476 734 T N -0.464 114.283 114.554 0.322 0.000 3.021 734 T HA 0.104 4.454 4.350 -0.000 0.000 0.245 734 T C -0.071 174.768 174.700 0.231 0.000 1.028 734 T CA 0.599 62.837 62.100 0.230 0.000 1.139 734 T CB -0.032 68.969 68.868 0.222 0.000 0.884 734 T HN 0.690 nan 8.240 nan 0.000 0.457 735 c N 0.165 118.944 118.600 0.297 0.000 3.170 735 c HA 0.930 5.500 4.570 -0.000 0.000 0.319 735 c C 0.003 174.384 174.090 0.485 0.000 1.260 735 c CA -1.175 55.349 56.329 0.325 0.000 1.374 735 c CB 1.208 43.780 42.510 0.103 0.000 1.739 735 c HN 0.512 nan 8.230 nan 0.000 0.479 736 G N 0.118 109.242 108.800 0.540 0.000 2.694 736 G HA2 0.828 4.788 3.960 -0.000 0.000 0.290 736 G HA3 0.828 4.788 3.960 -0.000 0.000 0.290 736 G C -1.493 173.743 174.900 0.560 0.000 1.386 736 G CA -0.340 45.068 45.100 0.515 0.000 0.872 736 G HN 1.518 nan 8.290 nan 0.000 0.475 737 S N -1.428 114.548 115.700 0.460 0.000 2.536 737 S HA 0.789 5.259 4.470 -0.000 0.000 0.271 737 S C -0.894 173.712 174.600 0.009 0.000 1.134 737 S CA 0.070 58.373 58.200 0.171 0.000 0.897 737 S CB 1.536 64.747 63.200 0.017 0.000 1.094 737 S HN 1.881 nan 8.310 nan 0.000 0.473 738 A N 3.032 125.783 122.820 -0.114 0.000 2.359 738 A HA 0.751 5.071 4.320 -0.000 0.000 0.303 738 A C -1.401 176.027 177.584 -0.261 0.000 1.066 738 A CA -0.566 51.330 52.037 -0.234 0.000 0.730 738 A CB 1.292 20.255 19.000 -0.062 0.000 1.211 738 A HN 0.919 nan 8.150 nan 0.000 0.439 739 L N 2.365 123.389 121.223 -0.332 0.000 2.265 739 L HA 0.575 4.915 4.340 -0.000 0.000 0.289 739 L C 0.437 177.153 176.870 -0.257 0.000 1.033 739 L CA 0.730 55.442 54.840 -0.213 0.000 0.814 739 L CB 0.668 42.645 42.059 -0.136 0.000 1.203 739 L HN 0.915 nan 8.230 nan 0.000 0.423 740 S N 4.569 120.035 115.700 -0.390 0.000 3.524 740 S HA -0.109 4.361 4.470 -0.000 0.000 0.377 740 S C -2.374 171.979 174.600 -0.412 0.000 0.949 740 S CA 0.453 58.204 58.200 -0.749 0.000 1.264 740 S CB -1.563 61.383 63.200 -0.423 0.000 0.918 740 S HN 0.687 nan 8.310 nan 0.000 0.517 741 P HA 0.419 nan 4.420 nan 0.000 0.281 741 P C 0.012 177.139 177.300 -0.289 0.000 1.252 741 P CA -0.634 62.339 63.100 -0.212 0.000 0.778 741 P CB 0.764 32.400 31.700 -0.106 0.000 0.895 742 I N 2.658 122.952 120.570 -0.461 0.000 2.395 742 I HA 0.333 4.503 4.170 -0.000 0.000 0.289 742 I C 0.692 176.617 176.117 -0.320 0.000 1.023 742 I CA 0.403 61.221 61.300 -0.804 0.000 1.350 742 I CB 1.004 38.283 38.000 -1.202 0.000 1.409 742 I HN 0.419 nan 8.210 nan 0.000 0.507 743 T N 0.948 115.502 114.554 0.000 0.000 3.058 743 T HA 0.358 4.708 4.350 -0.000 0.000 0.278 743 T C -0.105 174.593 174.700 -0.004 0.000 0.974 743 T CA -0.120 62.015 62.100 0.058 0.000 0.893 743 T CB -0.363 68.528 68.868 0.040 0.000 1.138 743 T HN 0.685 nan 8.240 nan 0.000 0.529 744 D N 0.037 120.385 120.400 -0.085 0.000 2.300 744 D HA 0.234 4.874 4.640 -0.000 0.000 0.218 744 D C -0.276 176.002 176.300 -0.037 0.000 1.326 744 D CA -0.757 53.199 54.000 -0.073 0.000 0.942 744 D CB 0.134 40.882 40.800 -0.085 0.000 1.495 744 D HN 0.035 nan 8.370 nan 0.000 0.545 745 F N 1.828 121.882 119.950 0.175 0.000 2.605 745 F HA -0.003 4.524 4.527 -0.000 0.000 0.296 745 F C 2.174 178.216 175.800 0.405 0.000 1.146 745 F CA 0.699 58.864 58.000 0.275 0.000 1.478 745 F CB 0.053 39.119 39.000 0.110 0.000 1.107 745 F HN 0.177 nan 8.300 nan 0.000 0.600 746 K N 0.068 120.720 120.400 0.420 0.000 2.228 746 K HA 0.069 4.389 4.320 -0.000 0.000 0.202 746 K C 1.458 178.189 176.600 0.218 0.000 1.051 746 K CA 0.642 57.095 56.287 0.276 0.000 0.960 746 K CB 0.000 32.590 32.500 0.151 0.000 0.743 746 K HN 0.298 nan 8.250 nan 0.000 0.458 747 L N -0.134 121.186 121.223 0.162 0.000 2.607 747 L HA 0.175 4.515 4.340 -0.000 0.000 0.228 747 L C 0.367 177.447 176.870 0.349 0.000 1.123 747 L CA -0.263 54.628 54.840 0.086 0.000 0.890 747 L CB -0.057 41.796 42.059 -0.344 0.000 1.103 747 L HN 0.138 nan 8.230 nan 0.000 0.468 748 Y N 0.544 121.012 120.300 0.280 0.000 2.488 748 Y HA 0.580 5.130 4.550 -0.000 0.000 0.325 748 Y C 0.817 176.941 175.900 0.374 0.000 1.204 748 Y CA -1.376 56.901 58.100 0.295 0.000 1.229 748 Y CB 1.380 39.959 38.460 0.199 0.000 1.274 748 Y HN -0.018 nan 8.280 nan 0.000 0.493 749 A N 2.255 125.029 122.820 -0.077 0.000 2.580 749 A HA 0.003 4.323 4.320 -0.000 0.000 0.244 749 A C 1.249 178.831 177.584 -0.003 0.000 1.045 749 A CA 0.561 52.509 52.037 -0.148 0.000 0.761 749 A CB -0.313 18.501 19.000 -0.310 0.000 0.962 749 A HN 1.001 nan 8.150 nan 0.000 0.512 750 S N 3.785 119.529 115.700 0.073 0.000 2.389 750 S HA -0.282 4.188 4.470 -0.000 0.000 0.229 750 S C 2.073 176.720 174.600 0.078 0.000 1.048 750 S CA 1.861 60.137 58.200 0.127 0.000 1.117 750 S CB -1.136 62.145 63.200 0.133 0.000 1.020 750 S HN 1.838 nan 8.310 nan 0.000 0.430 751 A N 0.659 123.478 122.820 -0.002 0.000 2.042 751 A HA -0.068 4.252 4.320 -0.000 0.000 0.222 751 A C 1.966 179.446 177.584 -0.173 0.000 1.167 751 A CA 1.925 53.883 52.037 -0.132 0.000 0.649 751 A CB -0.985 17.787 19.000 -0.379 0.000 0.809 751 A HN 0.671 nan 8.150 nan 0.000 0.457 752 F N 0.312 120.113 119.950 -0.247 0.000 2.164 752 F HA 0.002 4.529 4.527 -0.000 0.000 0.287 752 F C 2.632 178.350 175.800 -0.137 0.000 1.086 752 F CA 1.599 59.477 58.000 -0.204 0.000 1.249 752 F CB -0.421 38.488 39.000 -0.152 0.000 1.059 752 F HN 0.174 nan 8.300 nan 0.000 0.490 753 S N 0.645 116.554 115.700 0.349 0.000 2.351 753 S HA -0.248 4.222 4.470 -0.000 0.000 0.220 753 S C 1.769 176.328 174.600 -0.068 0.000 1.035 753 S CA 1.866 60.220 58.200 0.257 0.000 1.031 753 S CB -0.693 62.803 63.200 0.492 0.000 0.928 753 S HN 0.485 nan 8.310 nan 0.000 0.433 754 E N 0.747 120.967 120.200 0.033 0.000 2.209 754 E HA -0.207 4.143 4.350 -0.000 0.000 0.196 754 E C 2.217 178.685 176.600 -0.219 0.000 0.993 754 E CA 0.812 57.219 56.400 0.011 0.000 0.819 754 E CB -0.184 29.569 29.700 0.088 0.000 0.745 754 E HN 0.398 nan 8.360 nan 0.000 0.477 755 R N 0.219 120.416 120.500 -0.505 0.000 2.096 755 R HA -0.168 4.172 4.340 -0.000 0.000 0.235 755 R C 1.347 176.987 176.300 -1.100 0.000 1.127 755 R CA 1.474 57.050 56.100 -0.873 0.000 0.968 755 R CB 0.011 29.483 30.300 -1.380 0.000 0.861 755 R HN 0.208 nan 8.270 nan 0.000 0.440 756 Y N -0.983 118.895 120.300 -0.702 0.000 2.507 756 Y HA 0.216 4.766 4.550 -0.000 0.000 0.263 756 Y C 1.397 177.046 175.900 -0.418 0.000 1.093 756 Y CA 0.112 57.779 58.100 -0.721 0.000 1.285 756 Y CB 0.466 38.401 38.460 -0.874 0.000 1.115 756 Y HN -0.044 nan 8.280 nan 0.000 0.533 757 L N -0.813 120.236 121.223 -0.290 0.000 2.766 757 L HA 0.507 4.847 4.340 -0.000 0.000 0.242 757 L C 0.783 177.613 176.870 -0.067 0.000 1.136 757 L CA 0.181 54.859 54.840 -0.271 0.000 0.933 757 L CB -0.054 41.596 42.059 -0.682 0.000 1.241 757 L HN 0.255 nan 8.230 nan 0.000 0.522 758 G N 0.993 109.774 108.800 -0.031 0.000 2.814 758 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.677 758 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.677 758 G C -0.637 174.366 174.900 0.172 0.000 1.429 758 G CA -0.982 44.155 45.100 0.062 0.000 0.868 758 G HN -0.036 nan 8.290 nan 0.000 0.553 759 L N 0.798 122.105 121.223 0.140 0.000 2.483 759 L HA 0.408 4.748 4.340 -0.000 0.000 0.275 759 L C 1.508 178.510 176.870 0.220 0.000 1.220 759 L CA 0.295 55.231 54.840 0.159 0.000 0.833 759 L CB 0.461 42.572 42.059 0.086 0.000 1.102 759 L HN 0.829 nan 8.230 nan 0.000 0.490 760 H N 0.798 119.872 119.070 0.006 0.000 3.676 760 H HA 0.401 4.957 4.556 -0.000 0.000 0.169 760 H C 1.339 176.609 175.328 -0.096 0.000 1.513 760 H CA 0.103 56.046 56.048 -0.175 0.000 1.693 760 H CB -0.273 29.228 29.762 -0.434 0.000 1.222 760 H HN 0.566 nan 8.280 nan 0.000 0.628 761 G N 0.516 109.112 108.800 -0.341 0.000 4.230 761 G HA2 -0.371 3.589 3.960 -0.000 0.000 0.340 761 G HA3 -0.371 3.589 3.960 -0.000 0.000 0.340 761 G C 0.955 175.709 174.900 -0.244 0.000 1.315 761 G CA 0.918 45.841 45.100 -0.295 0.000 1.033 761 G HN 0.645 nan 8.290 nan 0.000 0.741 762 L N 2.492 123.658 121.223 -0.096 0.000 2.798 762 L HA 0.362 4.702 4.340 -0.000 0.000 0.254 762 L C 0.581 177.449 176.870 -0.003 0.000 1.176 762 L CA 0.935 55.748 54.840 -0.044 0.000 0.991 762 L CB -1.228 40.826 42.059 -0.008 0.000 1.225 762 L HN 0.577 nan 8.230 nan 0.000 0.420 763 D N 0.201 120.587 120.400 -0.023 0.000 3.845 763 D HA -0.294 4.346 4.640 -0.000 0.000 0.227 763 D C 0.998 177.418 176.300 0.199 0.000 1.092 763 D CA 0.498 54.584 54.000 0.143 0.000 1.148 763 D CB -0.471 40.384 40.800 0.093 0.000 0.803 763 D HN 0.456 nan 8.370 nan 0.000 0.395 764 N N 2.448 121.321 118.700 0.288 0.000 2.609 764 N HA -0.182 4.558 4.740 -0.000 0.000 0.190 764 N C 0.783 176.443 175.510 0.250 0.000 1.157 764 N CA 1.052 54.257 53.050 0.259 0.000 0.918 764 N CB -0.073 38.623 38.487 0.348 0.000 0.978 764 N HN 0.646 nan 8.380 nan 0.000 0.448 765 R N -1.195 119.465 120.500 0.267 0.000 3.266 765 R HA -0.252 4.088 4.340 -0.000 0.000 0.245 765 R C 0.056 176.478 176.300 0.204 0.000 0.941 765 R CA 1.280 57.514 56.100 0.224 0.000 0.638 765 R CB -2.247 28.144 30.300 0.152 0.000 1.019 765 R HN 0.120 nan 8.270 nan 0.000 0.462 766 A N -0.710 122.256 122.820 0.244 0.000 2.226 766 A HA 0.281 4.601 4.320 -0.000 0.000 0.207 766 A C 0.949 178.573 177.584 0.066 0.000 1.293 766 A CA 0.047 52.141 52.037 0.094 0.000 0.968 766 A CB -0.008 18.980 19.000 -0.020 0.000 1.044 766 A HN 0.385 nan 8.150 nan 0.000 0.493 767 Y N 0.461 120.789 120.300 0.047 0.000 2.583 767 Y HA 0.057 4.607 4.550 -0.000 0.000 0.293 767 Y C 2.293 178.274 175.900 0.134 0.000 1.157 767 Y CA 0.976 59.117 58.100 0.068 0.000 1.315 767 Y CB 0.231 38.628 38.460 -0.105 0.000 1.021 767 Y HN 0.281 nan 8.280 nan 0.000 0.536 768 E N -0.316 120.059 120.200 0.292 0.000 2.099 768 E HA 0.002 4.352 4.350 -0.000 0.000 0.191 768 E C 1.904 178.738 176.600 0.391 0.000 0.962 768 E CA 0.701 57.276 56.400 0.291 0.000 0.826 768 E CB -0.040 29.807 29.700 0.244 0.000 0.788 768 E HN 0.454 nan 8.360 nan 0.000 0.461 769 M N 0.540 120.327 119.600 0.312 0.000 2.419 769 M HA -0.062 4.418 4.480 -0.000 0.000 0.264 769 M C 2.066 178.595 176.300 0.382 0.000 1.082 769 M CA 1.428 56.934 55.300 0.343 0.000 1.119 769 M CB -0.196 32.523 32.600 0.198 0.000 1.398 769 M HN 0.024 nan 8.290 nan 0.000 0.453 770 T N -2.099 112.647 114.554 0.319 0.000 3.067 770 T HA 0.050 4.400 4.350 -0.000 0.000 0.261 770 T C 0.708 175.707 174.700 0.499 0.000 1.110 770 T CA 0.055 62.403 62.100 0.412 0.000 1.113 770 T CB -0.282 68.751 68.868 0.274 0.000 0.917 770 T HN 0.238 nan 8.240 nan 0.000 0.499 771 K N 1.333 121.892 120.400 0.265 0.000 2.491 771 K HA 0.107 4.427 4.320 -0.000 0.000 0.279 771 K C 0.985 177.551 176.600 -0.057 0.000 1.026 771 K CA -0.176 56.141 56.287 0.050 0.000 1.070 771 K CB 0.945 33.310 32.500 -0.226 0.000 0.887 771 K HN -0.038 nan 8.250 nan 0.000 0.481 772 V N 3.880 123.825 119.914 0.051 0.000 3.078 772 V HA -0.212 3.908 4.120 -0.000 0.000 0.265 772 V C 1.912 177.857 176.094 -0.248 0.000 1.122 772 V CA 2.105 64.323 62.300 -0.136 0.000 1.141 772 V CB -0.482 31.273 31.823 -0.113 0.000 0.735 772 V HN 0.937 nan 8.190 nan 0.000 0.498 773 A N -0.558 122.109 122.820 -0.255 0.000 1.917 773 A HA -0.285 4.035 4.320 -0.000 0.000 0.219 773 A C 1.976 179.462 177.584 -0.164 0.000 1.182 773 A CA 2.111 54.016 52.037 -0.221 0.000 0.633 773 A CB -0.838 18.029 19.000 -0.222 0.000 0.819 773 A HN 0.739 nan 8.150 nan 0.000 0.448 774 H N -0.332 118.686 119.070 -0.087 0.000 2.422 774 H HA -0.064 4.492 4.556 -0.000 0.000 0.298 774 H C 2.164 177.394 175.328 -0.164 0.000 1.098 774 H CA 1.558 57.548 56.048 -0.096 0.000 1.315 774 H CB -0.203 29.523 29.762 -0.062 0.000 1.382 774 H HN 0.395 nan 8.280 nan 0.000 0.523 775 R N 0.698 121.085 120.500 -0.189 0.000 2.080 775 R HA -0.027 4.313 4.340 -0.000 0.000 0.222 775 R C 2.497 178.670 176.300 -0.211 0.000 1.107 775 R CA 1.087 57.012 56.100 -0.293 0.000 0.980 775 R CB -0.955 28.964 30.300 -0.636 0.000 0.879 775 R HN 0.391 nan 8.270 nan 0.000 0.439 776 V N -0.597 119.199 119.914 -0.197 0.000 2.828 776 V HA -0.157 3.963 4.120 -0.000 0.000 0.260 776 V C 1.903 177.944 176.094 -0.088 0.000 1.101 776 V CA 1.842 64.052 62.300 -0.152 0.000 1.123 776 V CB -0.667 31.087 31.823 -0.115 0.000 0.704 776 V HN 0.041 nan 8.190 nan 0.000 0.493 777 S N 1.062 116.722 115.700 -0.067 0.000 2.387 777 S HA -0.142 4.328 4.470 -0.000 0.000 0.230 777 S C 2.105 176.687 174.600 -0.031 0.000 1.035 777 S CA 1.755 59.936 58.200 -0.033 0.000 1.014 777 S CB -0.650 62.540 63.200 -0.016 0.000 0.836 777 S HN 1.028 nan 8.310 nan 0.000 0.466 778 A N 1.550 124.342 122.820 -0.047 0.000 2.010 778 A HA 0.258 4.578 4.320 -0.000 0.000 0.204 778 A C 0.689 178.256 177.584 -0.028 0.000 1.364 778 A CA 0.345 52.362 52.037 -0.033 0.000 0.622 778 A CB -1.133 17.843 19.000 -0.041 0.000 0.983 778 A HN 0.436 nan 8.150 nan 0.000 0.491 779 L N -0.266 120.930 121.223 -0.045 0.000 3.538 779 L HA -0.260 4.080 4.340 -0.000 0.000 0.534 779 L C 0.713 177.586 176.870 0.004 0.000 1.001 779 L CA 0.630 55.450 54.840 -0.035 0.000 1.156 779 L CB -0.765 41.261 42.059 -0.055 0.000 0.908 779 L HN 0.760 nan 8.230 nan 0.000 0.673 780 E N 1.651 121.863 120.200 0.020 0.000 2.357 780 E HA -0.029 4.321 4.350 -0.000 0.000 0.202 780 E C 0.893 177.519 176.600 0.044 0.000 0.855 780 E CA 0.839 57.257 56.400 0.031 0.000 1.048 780 E CB 0.348 30.065 29.700 0.028 0.000 1.037 780 E HN 0.800 nan 8.360 nan 0.000 0.499 781 E N 0.005 120.237 120.200 0.053 0.000 2.641 781 E HA 0.124 4.474 4.350 -0.000 0.000 0.224 781 E C -0.382 176.268 176.600 0.084 0.000 0.951 781 E CA -0.116 56.322 56.400 0.063 0.000 1.102 781 E CB 0.122 29.856 29.700 0.057 0.000 1.091 781 E HN -0.020 nan 8.360 nan 0.000 0.507 782 Q N 1.289 121.144 119.800 0.092 0.000 2.373 782 Q HA 0.267 4.607 4.340 -0.000 0.000 0.255 782 Q C -0.345 175.753 176.000 0.163 0.000 0.980 782 Q CA 0.220 56.099 55.803 0.126 0.000 0.882 782 Q CB 0.667 29.472 28.738 0.111 0.000 1.249 782 Q HN 0.149 nan 8.270 nan 0.000 0.438 783 Q N 1.252 121.182 119.800 0.217 0.000 2.279 783 Q HA 0.346 4.686 4.340 -0.000 0.000 0.256 783 Q C -1.218 175.066 176.000 0.473 0.000 0.937 783 Q CA -0.239 55.745 55.803 0.302 0.000 0.933 783 Q CB 0.771 29.675 28.738 0.276 0.000 1.189 783 Q HN 0.429 nan 8.270 nan 0.000 0.417 784 F N 4.438 124.494 119.950 0.177 0.000 2.403 784 F HA 0.342 4.869 4.527 -0.000 0.000 0.355 784 F C -1.327 174.434 175.800 -0.065 0.000 1.119 784 F CA -1.543 56.508 58.000 0.084 0.000 1.007 784 F CB 0.889 39.935 39.000 0.077 0.000 1.194 784 F HN 0.359 nan 8.300 nan 0.000 0.443 785 L N 8.450 129.480 121.223 -0.323 0.000 2.294 785 L HA 0.528 4.868 4.340 -0.000 0.000 0.283 785 L C -1.177 175.305 176.870 -0.646 0.000 1.015 785 L CA -0.339 54.078 54.840 -0.705 0.000 0.831 785 L CB 1.037 42.198 42.059 -1.496 0.000 1.217 785 L HN 0.529 nan 8.230 nan 0.000 0.420 786 I N 6.175 126.402 120.570 -0.572 0.000 2.336 786 I HA 0.369 4.539 4.170 -0.000 0.000 0.292 786 I C -0.095 175.905 176.117 -0.195 0.000 0.991 786 I CA -0.421 60.620 61.300 -0.431 0.000 1.227 786 I CB 1.747 39.494 38.000 -0.422 0.000 1.366 786 I HN 0.482 nan 8.210 nan 0.000 0.466 787 I N 6.016 126.520 120.570 -0.110 0.000 2.406 787 I HA 0.388 4.558 4.170 -0.000 0.000 0.290 787 I C -0.631 175.580 176.117 0.157 0.000 0.999 787 I CA -0.491 60.828 61.300 0.033 0.000 1.124 787 I CB 1.450 39.483 38.000 0.055 0.000 1.289 787 I HN 0.599 nan 8.210 nan 0.000 0.441 788 H N 6.672 125.851 119.070 0.180 0.000 3.083 788 H HA 0.310 4.866 4.556 -0.000 0.000 0.339 788 H C -2.729 172.745 175.328 0.244 0.000 1.020 788 H CA -1.585 54.609 56.048 0.243 0.000 1.360 788 H CB 2.710 32.656 29.762 0.307 0.000 1.811 788 H HN 0.284 nan 8.280 nan 0.000 0.493 789 P HA -0.002 nan 4.420 nan 0.000 0.276 789 P C 0.501 177.913 177.300 0.188 0.000 1.243 789 P CA -0.089 63.164 63.100 0.254 0.000 0.768 789 P CB 1.845 33.538 31.700 -0.012 0.000 0.856 790 T N 2.750 117.272 114.554 -0.053 0.000 2.759 790 T HA -0.131 4.219 4.350 -0.000 0.000 0.269 790 T C 1.385 176.055 174.700 -0.050 0.000 1.042 790 T CA 1.991 63.948 62.100 -0.237 0.000 1.140 790 T CB -0.277 68.407 68.868 -0.307 0.000 0.864 790 T HN 0.545 nan 8.240 nan 0.000 0.455 791 A N 1.384 124.209 122.820 0.007 0.000 2.833 791 A HA 0.233 4.553 4.320 -0.000 0.000 0.293 791 A C 0.234 177.873 177.584 0.092 0.000 1.338 791 A CA -0.447 51.610 52.037 0.034 0.000 0.959 791 A CB -0.200 18.800 19.000 -0.001 0.000 1.094 791 A HN 0.279 nan 8.150 nan 0.000 0.569 792 D N 1.538 122.047 120.400 0.183 0.000 2.412 792 D HA -0.046 4.594 4.640 -0.000 0.000 0.257 792 D C 1.047 177.511 176.300 0.273 0.000 1.217 792 D CA 0.233 54.397 54.000 0.272 0.000 0.897 792 D CB 0.850 41.910 40.800 0.434 0.000 1.132 792 D HN 0.596 nan 8.370 nan 0.000 0.493 793 E N 4.266 124.605 120.200 0.232 0.000 2.442 793 E HA -0.104 4.246 4.350 -0.000 0.000 0.195 793 E C 1.114 177.805 176.600 0.152 0.000 1.030 793 E CA 0.395 56.908 56.400 0.187 0.000 0.869 793 E CB 0.162 29.901 29.700 0.065 0.000 0.857 793 E HN 0.484 nan 8.360 nan 0.000 0.505 794 K N 0.734 121.234 120.400 0.167 0.000 2.121 794 K HA 0.186 4.506 4.320 -0.000 0.000 0.203 794 K C 0.627 177.250 176.600 0.038 0.000 1.041 794 K CA 0.423 56.824 56.287 0.190 0.000 0.969 794 K CB 0.388 32.787 32.500 -0.169 0.000 0.799 794 K HN 0.027 nan 8.250 nan 0.000 0.456 795 I N 2.693 123.206 120.570 -0.095 0.000 2.460 795 I HA 0.176 4.346 4.170 -0.000 0.000 0.277 795 I C -0.901 175.269 176.117 0.088 0.000 1.057 795 I CA -0.778 60.406 61.300 -0.194 0.000 1.179 795 I CB 1.056 38.850 38.000 -0.344 0.000 1.329 795 I HN 0.237 nan 8.210 nan 0.000 0.478 796 H N 3.957 123.103 119.070 0.126 0.000 3.115 796 H HA -0.141 4.415 4.556 -0.000 0.000 0.324 796 H C 0.838 176.275 175.328 0.181 0.000 1.007 796 H CA -0.059 56.070 56.048 0.135 0.000 1.385 796 H CB 0.880 30.628 29.762 -0.023 0.000 1.351 796 H HN 0.588 nan 8.280 nan 0.000 0.592 797 F N 2.377 122.321 119.950 -0.010 0.000 2.307 797 F HA -0.252 4.275 4.527 -0.000 0.000 0.301 797 F C 2.388 178.060 175.800 -0.213 0.000 1.076 797 F CA 1.457 59.177 58.000 -0.467 0.000 1.383 797 F CB -0.291 38.509 39.000 -0.333 0.000 1.055 797 F HN 0.643 nan 8.300 nan 0.000 0.526 798 Q N -0.478 119.275 119.800 -0.078 0.000 2.173 798 Q HA -0.286 4.054 4.340 -0.000 0.000 0.208 798 Q C 2.179 178.005 176.000 -0.290 0.000 0.989 798 Q CA 2.129 57.819 55.803 -0.189 0.000 0.872 798 Q CB -0.423 28.250 28.738 -0.109 0.000 0.909 798 Q HN 0.582 nan 8.270 nan 0.000 0.420 799 H N -0.899 118.043 119.070 -0.212 0.000 2.267 799 H HA -0.098 4.458 4.556 -0.000 0.000 0.297 799 H C 2.174 177.332 175.328 -0.283 0.000 1.080 799 H CA 1.925 57.854 56.048 -0.199 0.000 1.278 799 H CB -0.315 29.365 29.762 -0.136 0.000 1.365 799 H HN 0.323 nan 8.280 nan 0.000 0.489 800 T N 0.966 115.374 114.554 -0.242 0.000 2.759 800 T HA -0.149 4.201 4.350 -0.000 0.000 0.269 800 T C 2.225 176.591 174.700 -0.556 0.000 1.042 800 T CA 1.103 62.974 62.100 -0.381 0.000 1.140 800 T CB -0.375 68.234 68.868 -0.432 0.000 0.864 800 T HN 0.449 nan 8.240 nan 0.000 0.455 801 A N 1.230 123.591 122.820 -0.765 0.000 1.858 801 A HA -0.100 4.220 4.320 -0.000 0.000 0.216 801 A C 2.210 179.594 177.584 -0.333 0.000 1.190 801 A CA 1.868 53.567 52.037 -0.564 0.000 0.617 801 A CB -0.654 18.046 19.000 -0.500 0.000 0.827 801 A HN 0.417 nan 8.150 nan 0.000 0.443 802 E N -0.441 119.587 120.200 -0.286 0.000 2.085 802 E HA -0.177 4.172 4.350 -0.000 0.000 0.194 802 E C 1.809 178.295 176.600 -0.190 0.000 0.994 802 E CA 1.226 57.501 56.400 -0.208 0.000 0.801 802 E CB -0.369 29.211 29.700 -0.201 0.000 0.743 802 E HN 0.448 nan 8.360 nan 0.000 0.453 803 L N 0.262 121.365 121.223 -0.199 0.000 2.017 803 L HA -0.096 4.244 4.340 -0.000 0.000 0.208 803 L C 2.104 178.841 176.870 -0.222 0.000 1.073 803 L CA 1.651 56.392 54.840 -0.167 0.000 0.745 803 L CB -0.413 41.570 42.059 -0.126 0.000 0.894 803 L HN 0.237 nan 8.230 nan 0.000 0.432 804 I N -1.154 119.223 120.570 -0.322 0.000 2.286 804 I HA -0.301 3.869 4.170 -0.000 0.000 0.248 804 I C 2.232 178.151 176.117 -0.330 0.000 1.115 804 I CA 1.531 62.544 61.300 -0.478 0.000 1.392 804 I CB -0.644 37.035 38.000 -0.536 0.000 1.065 804 I HN 0.298 nan 8.210 nan 0.000 0.418 805 T N 0.138 114.559 114.554 -0.223 0.000 2.720 805 T HA -0.198 4.151 4.350 -0.000 0.000 0.268 805 T C 1.924 176.553 174.700 -0.119 0.000 1.037 805 T CA 1.247 63.260 62.100 -0.145 0.000 1.144 805 T CB -0.104 68.694 68.868 -0.118 0.000 0.864 805 T HN 0.285 nan 8.240 nan 0.000 0.444 806 Q N 0.702 120.428 119.800 -0.123 0.000 2.079 806 Q HA 0.084 4.424 4.340 -0.000 0.000 0.200 806 Q C 2.499 178.451 176.000 -0.080 0.000 0.974 806 Q CA 1.048 56.798 55.803 -0.088 0.000 0.840 806 Q CB -0.735 27.950 28.738 -0.088 0.000 0.898 806 Q HN 0.504 nan 8.270 nan 0.000 0.430 807 L N -0.008 121.143 121.223 -0.119 0.000 2.127 807 L HA -0.168 4.172 4.340 -0.000 0.000 0.211 807 L C 2.320 179.166 176.870 -0.040 0.000 1.089 807 L CA 0.860 55.650 54.840 -0.083 0.000 0.757 807 L CB -0.438 41.512 42.059 -0.182 0.000 0.899 807 L HN 0.176 nan 8.230 nan 0.000 0.434 808 I N -0.627 119.899 120.570 -0.073 0.000 2.286 808 I HA -0.219 3.951 4.170 -0.000 0.000 0.245 808 I C 2.703 178.819 176.117 -0.001 0.000 1.104 808 I CA 1.077 62.370 61.300 -0.011 0.000 1.397 808 I CB -0.213 37.773 38.000 -0.024 0.000 1.072 808 I HN 0.190 nan 8.210 nan 0.000 0.417 809 R N 0.604 121.093 120.500 -0.019 0.000 2.092 809 R HA -0.058 4.282 4.340 -0.000 0.000 0.231 809 R C 2.187 178.487 176.300 -0.000 0.000 1.119 809 R CA 1.349 57.444 56.100 -0.009 0.000 0.970 809 R CB -0.560 29.730 30.300 -0.015 0.000 0.864 809 R HN 0.372 nan 8.270 nan 0.000 0.440 810 G N 0.585 109.383 108.800 -0.004 0.000 2.848 810 G HA2 -0.112 3.848 3.960 -0.000 0.000 0.208 810 G HA3 -0.112 3.848 3.960 -0.000 0.000 0.208 810 G C -0.068 174.843 174.900 0.018 0.000 1.152 810 G CA -0.238 44.864 45.100 0.003 0.000 0.789 810 G HN 0.219 nan 8.290 nan 0.000 0.531 811 K N -0.937 119.479 120.400 0.027 0.000 3.077 811 K HA -0.186 4.134 4.320 -0.000 0.000 0.264 811 K C 0.607 177.243 176.600 0.060 0.000 1.008 811 K CA 0.073 56.387 56.287 0.044 0.000 0.740 811 K CB -1.639 30.880 32.500 0.032 0.000 1.273 811 K HN 0.519 nan 8.250 nan 0.000 0.477 812 A N 0.887 123.755 122.820 0.079 0.000 2.256 812 A HA 0.572 4.892 4.320 -0.000 0.000 0.318 812 A C 0.044 177.737 177.584 0.180 0.000 1.103 812 A CA -0.728 51.372 52.037 0.105 0.000 0.860 812 A CB 0.537 19.592 19.000 0.091 0.000 1.182 812 A HN 0.290 nan 8.150 nan 0.000 0.501 813 N N 0.321 119.132 118.700 0.185 0.000 2.400 813 N HA 0.575 5.314 4.740 -0.000 0.000 0.288 813 N C -1.068 174.622 175.510 0.300 0.000 1.024 813 N CA 0.024 53.191 53.050 0.194 0.000 0.894 813 N CB 1.384 39.936 38.487 0.107 0.000 1.173 813 N HN 0.661 nan 8.380 nan 0.000 0.487 814 Y N -1.323 119.026 120.300 0.081 0.000 2.715 814 Y HA 0.790 5.340 4.550 -0.000 0.000 0.331 814 Y C -0.752 175.127 175.900 -0.034 0.000 1.197 814 Y CA -1.328 56.802 58.100 0.050 0.000 1.079 814 Y CB 1.186 39.642 38.460 -0.008 0.000 1.298 814 Y HN 0.327 nan 8.280 nan 0.000 0.477 815 S N 1.171 116.735 115.700 -0.225 0.000 2.566 815 S HA 0.598 5.068 4.470 -0.000 0.000 0.273 815 S C -2.234 172.265 174.600 -0.169 0.000 1.157 815 S CA -0.718 57.293 58.200 -0.315 0.000 0.938 815 S CB 0.894 63.969 63.200 -0.210 0.000 1.087 815 S HN 0.894 nan 8.310 nan 0.000 0.474 816 L N 4.007 125.160 121.223 -0.117 0.000 2.346 816 L HA 0.630 4.970 4.340 -0.000 0.000 0.274 816 L C -0.871 175.940 176.870 -0.098 0.000 1.007 816 L CA -0.468 54.345 54.840 -0.045 0.000 0.818 816 L CB 1.806 43.921 42.059 0.093 0.000 1.284 816 L HN 0.744 nan 8.230 nan 0.000 0.424 817 Q N 3.876 123.613 119.800 -0.104 0.000 2.310 817 Q HA 0.444 4.784 4.340 -0.000 0.000 0.270 817 Q C -1.361 174.546 176.000 -0.154 0.000 1.025 817 Q CA -0.684 55.025 55.803 -0.157 0.000 0.772 817 Q CB 3.113 31.751 28.738 -0.166 0.000 1.253 817 Q HN 0.453 nan 8.270 nan 0.000 0.450 818 I N 1.338 121.758 120.570 -0.250 0.000 2.750 818 I HA 0.308 4.478 4.170 -0.000 0.000 0.308 818 I C -1.246 174.601 176.117 -0.449 0.000 1.016 818 I CA -0.613 60.539 61.300 -0.246 0.000 1.098 818 I CB 1.295 39.137 38.000 -0.264 0.000 1.279 818 I HN 0.487 nan 8.210 nan 0.000 0.454 819 Y N 4.815 125.049 120.300 -0.109 0.000 2.748 819 Y HA 0.411 4.961 4.550 -0.000 0.000 0.359 819 Y C -2.237 173.557 175.900 -0.178 0.000 1.030 819 Y CA -2.632 55.386 58.100 -0.136 0.000 1.169 819 Y CB 0.438 38.821 38.460 -0.129 0.000 1.127 819 Y HN 0.367 nan 8.280 nan 0.000 0.644 820 P HA -0.124 nan 4.420 nan 0.000 0.259 820 P C 0.180 177.454 177.300 -0.045 0.000 1.155 820 P CA 1.282 64.320 63.100 -0.105 0.000 0.759 820 P CB 0.457 32.087 31.700 -0.117 0.000 0.753 821 D N -0.134 120.255 120.400 -0.019 0.000 3.067 821 D HA -0.183 4.457 4.640 -0.000 0.000 0.216 821 D C 0.172 176.444 176.300 -0.045 0.000 1.162 821 D CA 1.342 55.334 54.000 -0.013 0.000 0.960 821 D CB -0.653 40.144 40.800 -0.006 0.000 1.129 821 D HN 0.434 nan 8.370 nan 0.000 0.408 822 E N 0.368 120.525 120.200 -0.071 0.000 2.366 822 E HA 0.300 4.650 4.350 -0.000 0.000 0.266 822 E C 0.675 177.199 176.600 -0.127 0.000 1.051 822 E CA -0.056 56.255 56.400 -0.148 0.000 0.884 822 E CB 1.355 30.894 29.700 -0.269 0.000 1.006 822 E HN 0.204 nan 8.360 nan 0.000 0.417 823 S N 1.200 116.818 115.700 -0.136 0.000 2.633 823 S HA -0.029 4.441 4.470 -0.000 0.000 0.257 823 S C 1.200 175.772 174.600 -0.046 0.000 1.265 823 S CA 0.262 58.449 58.200 -0.022 0.000 0.980 823 S CB 0.454 63.682 63.200 0.045 0.000 1.017 823 S HN 0.685 nan 8.310 nan 0.000 0.577 824 H N -0.287 118.792 119.070 0.015 0.000 2.436 824 H HA 0.099 4.655 4.556 -0.000 0.000 0.294 824 H C 1.277 176.550 175.328 -0.092 0.000 1.048 824 H CA 1.874 57.895 56.048 -0.046 0.000 1.353 824 H CB -0.358 29.363 29.762 -0.067 0.000 1.414 824 H HN 0.687 nan 8.280 nan 0.000 0.536 825 Y N -0.827 119.498 120.300 0.042 0.000 2.365 825 Y HA 0.066 4.616 4.550 -0.000 0.000 0.293 825 Y C 0.033 176.056 175.900 0.205 0.000 1.119 825 Y CA 0.781 58.932 58.100 0.085 0.000 1.203 825 Y CB 0.220 38.780 38.460 0.167 0.000 1.026 825 Y HN 0.064 nan 8.280 nan 0.000 0.549 826 F N 0.087 120.039 119.950 0.003 0.000 2.781 826 F HA -0.216 4.311 4.527 -0.000 0.000 0.350 826 F C 0.487 176.285 175.800 -0.004 0.000 1.048 826 F CA 0.606 58.557 58.000 -0.081 0.000 1.134 826 F CB -1.979 36.918 39.000 -0.172 0.000 1.440 826 F HN 0.043 nan 8.300 nan 0.000 0.799 827 T N -2.909 111.724 114.554 0.132 0.000 3.327 827 T HA 0.400 4.750 4.350 -0.000 0.000 0.241 827 T C 0.389 175.127 174.700 0.064 0.000 0.907 827 T CA 0.300 62.467 62.100 0.111 0.000 0.931 827 T CB 0.746 69.669 68.868 0.092 0.000 1.112 827 T HN 0.489 nan 8.240 nan 0.000 0.589 828 S N 0.975 116.706 115.700 0.052 0.000 2.756 828 S HA 0.413 4.883 4.470 -0.000 0.000 0.303 828 S C 1.373 175.966 174.600 -0.011 0.000 1.135 828 S CA -0.190 58.017 58.200 0.012 0.000 1.066 828 S CB 1.145 64.331 63.200 -0.024 0.000 1.008 828 S HN 0.474 nan 8.310 nan 0.000 0.482 829 S N 3.924 119.617 115.700 -0.011 0.000 2.380 829 S HA -0.171 4.299 4.470 -0.000 0.000 0.229 829 S C 2.102 176.543 174.600 -0.265 0.000 1.043 829 S CA 1.942 60.095 58.200 -0.079 0.000 1.038 829 S CB -1.010 62.187 63.200 -0.004 0.000 0.872 829 S HN 0.799 nan 8.310 nan 0.000 0.456 830 S N 1.436 117.040 115.700 -0.160 0.000 2.353 830 S HA -0.033 4.437 4.470 -0.000 0.000 0.222 830 S C 1.855 176.375 174.600 -0.132 0.000 1.035 830 S CA 1.359 59.467 58.200 -0.154 0.000 1.025 830 S CB -0.652 62.504 63.200 -0.073 0.000 0.902 830 S HN 0.561 nan 8.310 nan 0.000 0.440 831 L N 0.886 122.063 121.223 -0.076 0.000 2.005 831 L HA -0.076 4.264 4.340 -0.000 0.000 0.207 831 L C 2.783 179.635 176.870 -0.029 0.000 1.072 831 L CA 1.799 56.630 54.840 -0.015 0.000 0.744 831 L CB -0.575 41.472 42.059 -0.019 0.000 0.895 831 L HN 0.397 nan 8.230 nan 0.000 0.433 832 K N -0.135 120.206 120.400 -0.098 0.000 2.089 832 K HA -0.328 3.992 4.320 -0.000 0.000 0.210 832 K C 2.086 178.403 176.600 -0.471 0.000 1.048 832 K CA 2.188 58.290 56.287 -0.308 0.000 0.926 832 K CB -0.054 32.322 32.500 -0.205 0.000 0.714 832 K HN 0.253 nan 8.250 nan 0.000 0.448 833 Q N -0.140 119.353 119.800 -0.511 0.000 1.993 833 Q HA -0.268 4.072 4.340 -0.000 0.000 0.202 833 Q C 2.219 178.158 176.000 -0.102 0.000 0.984 833 Q CA 1.973 57.458 55.803 -0.529 0.000 0.837 833 Q CB -0.405 27.796 28.738 -0.896 0.000 0.902 833 Q HN 0.466 nan 8.270 nan 0.000 0.423 834 H N 0.542 119.536 119.070 -0.126 0.000 2.353 834 H HA -0.186 4.370 4.556 -0.000 0.000 0.298 834 H C 2.034 177.400 175.328 0.064 0.000 1.103 834 H CA 1.833 57.890 56.048 0.015 0.000 1.293 834 H CB -0.344 29.471 29.762 0.089 0.000 1.372 834 H HN 0.433 nan 8.280 nan 0.000 0.501 835 L N -0.007 121.327 121.223 0.185 0.000 1.955 835 L HA -0.286 4.054 4.340 -0.000 0.000 0.213 835 L C 2.482 179.380 176.870 0.047 0.000 1.072 835 L CA 1.897 56.774 54.840 0.061 0.000 0.755 835 L CB -0.803 41.017 42.059 -0.398 0.000 0.888 835 L HN 0.363 nan 8.230 nan 0.000 0.432 836 Y N -0.020 120.227 120.300 -0.089 0.000 2.081 836 Y HA -0.371 4.179 4.550 -0.000 0.000 0.280 836 Y C 2.908 178.774 175.900 -0.057 0.000 1.163 836 Y CA 1.313 59.366 58.100 -0.080 0.000 1.135 836 Y CB -0.347 38.218 38.460 0.176 0.000 0.970 836 Y HN 0.296 nan 8.280 nan 0.000 0.498 837 R N 0.106 120.703 120.500 0.162 0.000 2.112 837 R HA -0.191 4.149 4.340 -0.000 0.000 0.242 837 R C 2.431 178.706 176.300 -0.042 0.000 1.137 837 R CA 1.753 57.882 56.100 0.048 0.000 0.944 837 R CB -0.888 29.391 30.300 -0.035 0.000 0.857 837 R HN 0.186 nan 8.270 nan 0.000 0.435 838 S N 1.137 116.769 115.700 -0.112 0.000 2.368 838 S HA -0.167 4.303 4.470 -0.000 0.000 0.226 838 S C 2.094 176.632 174.600 -0.104 0.000 1.044 838 S CA 1.510 59.641 58.200 -0.116 0.000 1.062 838 S CB -0.330 62.830 63.200 -0.067 0.000 0.931 838 S HN 0.226 nan 8.310 nan 0.000 0.440 839 I N 2.049 122.524 120.570 -0.158 0.000 2.127 839 I HA -0.232 3.938 4.170 -0.000 0.000 0.241 839 I C 2.369 178.419 176.117 -0.112 0.000 1.075 839 I CA 1.563 62.701 61.300 -0.270 0.000 1.334 839 I CB -0.705 36.895 38.000 -0.666 0.000 1.040 839 I HN 0.374 nan 8.210 nan 0.000 0.405 840 I N -0.562 120.002 120.570 -0.009 0.000 2.264 840 I HA -0.266 3.904 4.170 -0.000 0.000 0.248 840 I C 1.940 178.045 176.117 -0.020 0.000 1.111 840 I CA 1.865 63.225 61.300 0.099 0.000 1.382 840 I CB -0.872 37.205 38.000 0.129 0.000 1.060 840 I HN 0.183 nan 8.210 nan 0.000 0.418 841 N N 0.869 119.548 118.700 -0.036 0.000 2.364 841 N HA -0.152 4.588 4.740 -0.000 0.000 0.183 841 N C 1.476 176.958 175.510 -0.045 0.000 1.022 841 N CA 1.337 54.357 53.050 -0.050 0.000 0.883 841 N CB -0.433 38.032 38.487 -0.037 0.000 0.965 841 N HN 0.537 nan 8.380 nan 0.000 0.438 842 F N 0.012 119.821 119.950 -0.235 0.000 2.074 842 F HA 0.091 4.618 4.527 -0.000 0.000 0.290 842 F C 1.729 177.337 175.800 -0.319 0.000 1.118 842 F CA 1.116 58.922 58.000 -0.324 0.000 1.199 842 F CB -0.667 38.021 39.000 -0.521 0.000 1.012 842 F HN -0.068 nan 8.300 nan 0.000 0.472 843 F N -0.430 119.321 119.950 -0.332 0.000 2.102 843 F HA -0.198 4.329 4.527 -0.000 0.000 0.298 843 F C 2.620 178.008 175.800 -0.687 0.000 1.105 843 F CA 1.252 58.842 58.000 -0.684 0.000 1.239 843 F CB -1.003 37.718 39.000 -0.464 0.000 0.991 843 F HN -0.114 nan 8.300 nan 0.000 0.474 844 V N 0.108 119.932 119.914 -0.150 0.000 2.546 844 V HA -0.246 3.874 4.120 -0.000 0.000 0.254 844 V C 2.177 178.252 176.094 -0.031 0.000 1.076 844 V CA 1.798 64.057 62.300 -0.068 0.000 1.087 844 V CB -0.275 31.387 31.823 -0.269 0.000 0.674 844 V HN 0.277 nan 8.190 nan 0.000 0.470 845 E N 0.242 120.359 120.200 -0.138 0.000 2.004 845 E HA -0.126 4.224 4.350 -0.000 0.000 0.192 845 E C 1.957 178.506 176.600 -0.085 0.000 0.987 845 E CA 1.647 57.983 56.400 -0.106 0.000 0.822 845 E CB -0.855 28.755 29.700 -0.151 0.000 0.779 845 E HN 0.812 nan 8.360 nan 0.000 0.458 846 c N 1.058 119.517 118.600 -0.234 0.000 2.479 846 c HA 0.133 4.703 4.570 -0.000 0.000 0.337 846 c C 1.624 175.808 174.090 0.155 0.000 1.429 846 c CA -0.439 55.819 56.329 -0.120 0.000 1.532 846 c CB -2.064 40.284 42.510 -0.270 0.000 1.563 846 c HN 0.109 nan 8.230 nan 0.000 0.604 847 F N -0.003 119.937 119.950 -0.016 0.000 2.463 847 F HA 0.397 4.924 4.527 -0.000 0.000 0.271 847 F C 1.546 177.359 175.800 0.023 0.000 0.888 847 F CA -0.234 57.780 58.000 0.024 0.000 1.149 847 F CB -0.895 38.135 39.000 0.049 0.000 1.071 847 F HN 0.045 nan 8.300 nan 0.000 0.802 848 R N 1.481 122.116 120.500 0.226 0.000 2.640 848 R HA 0.206 4.546 4.340 -0.000 0.000 0.270 848 R C -0.139 176.210 176.300 0.083 0.000 1.024 848 R CA 0.359 56.532 56.100 0.122 0.000 1.085 848 R CB -0.038 30.323 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 0.050 0.000 2.984 849 I HA 0.000 4.170 4.170 -0.000 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 0.017 0.000 1.214 849 I HN 0.000 nan 8.210 nan 0.000 0.494