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_C DATA FIRST_RESID 127 DATA SEQUENCE QKKKVTVEDL FSEDFKIHDP EAKWISDTEF IYREQKGTVR LWNVETNTST DATA SEQUENCE VLIEGKKIES LRAIRYEISP DREYALFSYN VEPIYQHSYT GYYVLSKIPH DATA SEQUENCE GDPQSLDPPE VSNAKLQYAG WGPKGQQLIF IFENNIYYCA HVGKQAIRVV DATA SEQUENCE STGKEGVIYN GLSDWLYEEE ILKTHIAHWW SPDGTRLAYA AINDSRVPIM DATA SEQUENCE ELPTYTGSIY PTVKPYHYPK AGSENPSISL HVIGLNGPTH DLEMMPPDDP DATA SEQUENCE RMREYYITMV KWATSTKVAV TWLNRAQNVS ILTLcDATTG VcTKKHEDES DATA SEQUENCE EAWLHRQNEE PVFSKDGRKF FFIRAIPQGG RGKFYHITVS SSQPNSSNDN DATA SEQUENCE IQSITSGDWD VTKILAYDEK GNKIYFLSTE DLPRRRQLYS ANTVGNFNRQ DATA SEQUENCE CLSCDLVENc TYFSASFSHS MDFFLLKcEG PGVPMVTVHN TTDKKKMFDL DATA SEQUENCE ETNEHVKKAI NDRQMPKVEY RDIEIDDYNL PMQILKPATF TDTTHYPLLL DATA SEQUENCE VVDGTPGSQS VAEKFEVSWE TVMVSSHGAV VVKCDGRGSG FQGTKLLHEV DATA SEQUENCE RRRLGLLEEK DQMEAVRTML KEQYIDRTRV AVFGKDYGGY LSTYILPAKG DATA SEQUENCE ENQGQTFTcG SALSPITDFK LYASAFSERY LGLHGLDNRA YEMTKVAHRV DATA SEQUENCE SALEEQQFLI IHPTADEKIH FQHTAELITQ LIRGKANYSL QIYPDESHYF DATA SEQUENCE TSSSLKQHLY RSIINFFVEc FRI VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 127 Q HA 0.000 nan 4.340 nan 0.000 0.214 127 Q C 0.000 176.010 176.000 0.016 0.000 1.003 127 Q CA 0.000 55.812 55.803 0.014 0.000 1.022 127 Q CB 0.000 28.746 28.738 0.014 0.000 1.108 128 K N 1.233 121.645 120.400 0.020 0.000 2.527 128 K HA 0.581 4.901 4.320 -0.000 0.000 0.260 128 K C -1.204 175.414 176.600 0.031 0.000 0.937 128 K CA -1.083 55.219 56.287 0.025 0.000 0.826 128 K CB 2.531 35.046 32.500 0.026 0.000 1.359 128 K HN -0.043 nan 8.250 nan 0.000 0.434 129 K N 2.104 122.526 120.400 0.036 0.000 2.486 129 K HA -0.192 4.128 4.320 -0.000 0.000 0.257 129 K C -1.075 175.549 176.600 0.041 0.000 1.024 129 K CA 1.248 57.561 56.287 0.042 0.000 1.122 129 K CB 0.201 32.740 32.500 0.065 0.000 0.758 129 K HN 0.586 nan 8.250 nan 0.000 0.461 130 K N 2.828 123.240 120.400 0.020 0.000 2.098 130 K HA 0.280 4.600 4.320 -0.000 0.000 0.258 130 K C -0.699 175.902 176.600 0.002 0.000 0.973 130 K CA -1.085 55.205 56.287 0.004 0.000 0.898 130 K CB 1.395 33.877 32.500 -0.030 0.000 1.057 130 K HN 0.323 nan 8.250 nan 0.000 0.447 131 V N 2.035 121.945 119.914 -0.007 0.000 2.485 131 V HA 0.017 4.136 4.120 -0.000 0.000 0.287 131 V C 0.612 176.663 176.094 -0.073 0.000 1.022 131 V CA 0.105 62.377 62.300 -0.046 0.000 1.067 131 V CB 0.638 32.429 31.823 -0.054 0.000 0.967 131 V HN 0.756 nan 8.190 nan 0.000 0.479 132 T N 3.218 117.716 114.554 -0.093 0.000 2.949 132 T HA 0.420 4.770 4.350 -0.000 0.000 0.287 132 T C 1.062 175.735 174.700 -0.045 0.000 1.034 132 T CA -0.445 61.632 62.100 -0.039 0.000 1.018 132 T CB 1.857 70.721 68.868 -0.006 0.000 1.135 132 T HN 0.248 nan 8.240 nan 0.000 0.532 133 V N 2.299 122.252 119.914 0.065 0.000 2.332 133 V HA -0.099 4.021 4.120 -0.000 0.000 0.248 133 V C 2.453 178.658 176.094 0.185 0.000 1.055 133 V CA 1.988 64.383 62.300 0.159 0.000 1.038 133 V CB -0.833 31.156 31.823 0.276 0.000 0.651 133 V HN 0.784 nan 8.190 nan 0.000 0.450 134 E N 0.359 120.640 120.200 0.136 0.000 2.058 134 E HA -0.212 4.138 4.350 -0.000 0.000 0.194 134 E C 1.976 178.598 176.600 0.036 0.000 0.997 134 E CA 1.554 58.039 56.400 0.141 0.000 0.801 134 E CB -0.532 29.222 29.700 0.091 0.000 0.746 134 E HN 0.585 nan 8.360 nan 0.000 0.450 135 D N 0.218 120.527 120.400 -0.152 0.000 2.116 135 D HA -0.172 4.468 4.640 -0.000 0.000 0.193 135 D C 2.089 177.982 176.300 -0.679 0.000 0.998 135 D CA 0.858 54.535 54.000 -0.538 0.000 0.836 135 D CB -0.344 39.950 40.800 -0.844 0.000 0.951 135 D HN 0.170 nan 8.370 nan 0.000 0.449 136 L N -0.419 120.496 121.223 -0.514 0.000 2.021 136 L HA -0.209 4.131 4.340 -0.000 0.000 0.215 136 L C 1.699 178.256 176.870 -0.522 0.000 1.074 136 L CA 1.189 55.693 54.840 -0.559 0.000 0.760 136 L CB -0.479 41.185 42.059 -0.658 0.000 0.889 136 L HN 0.006 nan 8.230 nan 0.000 0.433 137 F N -0.610 119.347 119.950 0.012 0.000 2.660 137 F HA 0.154 4.681 4.527 -0.000 0.000 0.297 137 F C 1.118 176.970 175.800 0.087 0.000 1.132 137 F CA -0.362 57.676 58.000 0.064 0.000 1.372 137 F CB -0.385 38.648 39.000 0.054 0.000 1.003 137 F HN -0.156 nan 8.300 nan 0.000 0.524 138 S N 0.324 116.135 115.700 0.184 0.000 2.565 138 S HA 0.040 4.510 4.470 -0.000 0.000 0.274 138 S C 1.320 176.089 174.600 0.281 0.000 1.309 138 S CA -0.471 57.877 58.200 0.247 0.000 1.043 138 S CB 1.321 64.717 63.200 0.326 0.000 0.939 138 S HN 0.259 nan 8.310 nan 0.000 0.504 139 E N 1.456 121.799 120.200 0.239 0.000 2.472 139 E HA -0.116 4.234 4.350 -0.000 0.000 0.200 139 E C 0.587 177.321 176.600 0.223 0.000 1.046 139 E CA 1.086 57.616 56.400 0.217 0.000 0.871 139 E CB -0.068 29.739 29.700 0.178 0.000 0.806 139 E HN 0.525 nan 8.360 nan 0.000 0.533 140 D N -0.831 119.733 120.400 0.273 0.000 2.120 140 D HA -0.087 4.553 4.640 -0.000 0.000 0.202 140 D C 0.836 177.201 176.300 0.107 0.000 0.972 140 D CA 0.826 54.947 54.000 0.201 0.000 0.837 140 D CB -0.236 40.690 40.800 0.211 0.000 0.989 140 D HN 0.275 nan 8.370 nan 0.000 0.469 141 F N 0.971 120.972 119.950 0.084 0.000 2.797 141 F HA 0.140 4.667 4.527 -0.000 0.000 0.302 141 F C 1.103 176.953 175.800 0.083 0.000 1.130 141 F CA -0.127 57.921 58.000 0.080 0.000 1.387 141 F CB -0.326 38.713 39.000 0.065 0.000 1.107 141 F HN -0.304 nan 8.300 nan 0.000 0.577 142 K N 2.315 122.857 120.400 0.237 0.000 2.349 142 K HA 0.134 4.454 4.320 -0.000 0.000 0.289 142 K C -0.026 176.650 176.600 0.128 0.000 1.064 142 K CA -0.302 56.114 56.287 0.214 0.000 0.947 142 K CB 0.303 32.965 32.500 0.269 0.000 1.007 142 K HN -0.069 nan 8.250 nan 0.000 0.478 143 I N 4.453 125.121 120.570 0.164 0.000 2.638 143 I HA 0.048 4.218 4.170 -0.000 0.000 0.286 143 I C 0.400 176.677 176.117 0.266 0.000 1.088 143 I CA -0.013 61.349 61.300 0.104 0.000 1.397 143 I CB 0.602 38.685 38.000 0.139 0.000 1.414 143 I HN 0.651 nan 8.210 nan 0.000 0.566 144 H N 3.117 122.203 119.070 0.027 0.000 2.638 144 H HA 0.199 4.755 4.556 -0.000 0.000 0.317 144 H C -0.753 174.600 175.328 0.041 0.000 1.006 144 H CA -0.773 55.293 56.048 0.030 0.000 1.222 144 H CB 1.711 31.475 29.762 0.004 0.000 1.419 144 H HN 0.425 nan 8.280 nan 0.000 0.489 145 D N 4.876 125.376 120.400 0.167 0.000 2.347 145 D HA 0.100 4.740 4.640 -0.000 0.000 0.235 145 D C -1.688 174.676 176.300 0.107 0.000 1.149 145 D CA -2.419 51.648 54.000 0.112 0.000 0.850 145 D CB 1.716 42.577 40.800 0.100 0.000 1.061 145 D HN 0.305 nan 8.370 nan 0.000 0.487 146 P HA -0.069 nan 4.420 nan 0.000 0.225 146 P C -0.508 176.857 177.300 0.109 0.000 1.148 146 P CA 0.425 63.601 63.100 0.126 0.000 0.779 146 P CB 0.035 31.798 31.700 0.106 0.000 0.780 147 E N -1.863 118.376 120.200 0.065 0.000 2.228 147 E HA -0.212 4.138 4.350 -0.000 0.000 0.213 147 E C -0.060 176.562 176.600 0.037 0.000 1.282 147 E CA -0.067 56.365 56.400 0.055 0.000 0.707 147 E CB -1.898 27.845 29.700 0.071 0.000 1.150 147 E HN 0.346 nan 8.360 nan 0.000 0.362 148 A N 1.927 124.716 122.820 -0.052 0.000 2.477 148 A HA 0.330 4.649 4.320 -0.000 0.000 0.246 148 A C 0.367 177.864 177.584 -0.145 0.000 1.078 148 A CA 0.379 52.319 52.037 -0.161 0.000 0.770 148 A CB 0.638 19.294 19.000 -0.573 0.000 1.011 148 A HN 0.277 nan 8.150 nan 0.000 0.494 149 K N 2.903 123.267 120.400 -0.060 0.000 2.565 149 K HA 0.314 4.634 4.320 -0.000 0.000 0.249 149 K C -1.601 175.045 176.600 0.076 0.000 0.958 149 K CA -0.543 55.759 56.287 0.025 0.000 0.806 149 K CB 0.920 33.488 32.500 0.113 0.000 1.194 149 K HN 0.734 nan 8.250 nan 0.000 0.434 150 W N 4.754 126.170 121.300 0.192 0.000 2.181 150 W HA 0.161 4.821 4.660 -0.000 0.000 0.335 150 W C 1.022 177.517 176.519 -0.040 0.000 1.310 150 W CA -0.257 57.163 57.345 0.125 0.000 1.226 150 W CB 0.364 29.871 29.460 0.079 0.000 1.155 150 W HN 0.543 nan 8.180 nan 0.000 0.565 151 I N 1.187 121.838 120.570 0.134 0.000 4.312 151 I HA 0.035 4.205 4.170 -0.000 0.000 0.324 151 I C 0.907 176.931 176.117 -0.155 0.000 1.298 151 I CA 0.296 61.605 61.300 0.015 0.000 1.231 151 I CB 0.068 38.122 38.000 0.091 0.000 1.152 151 I HN 0.415 nan 8.210 nan 0.000 0.421 152 S N -0.216 115.395 115.700 -0.148 0.000 2.973 152 S HA 0.258 4.728 4.470 -0.000 0.000 0.317 152 S C -0.534 174.077 174.600 0.019 0.000 1.196 152 S CA -0.343 57.835 58.200 -0.037 0.000 0.894 152 S CB 1.103 64.372 63.200 0.114 0.000 1.292 152 S HN 0.112 nan 8.310 nan 0.000 0.614 153 D N 0.155 120.633 120.400 0.130 0.000 2.340 153 D HA 0.154 4.794 4.640 -0.000 0.000 0.217 153 D C 1.216 177.625 176.300 0.181 0.000 1.081 153 D CA 0.718 54.766 54.000 0.079 0.000 0.842 153 D CB -0.134 40.703 40.800 0.062 0.000 0.934 153 D HN 0.674 nan 8.370 nan 0.000 0.511 154 T N -3.246 111.501 114.554 0.322 0.000 3.041 154 T HA 0.143 4.493 4.350 -0.000 0.000 0.276 154 T C 0.224 175.209 174.700 0.474 0.000 0.948 154 T CA -0.404 61.969 62.100 0.456 0.000 0.885 154 T CB 0.294 69.333 68.868 0.285 0.000 1.175 154 T HN 0.316 nan 8.240 nan 0.000 0.529 155 E N 0.886 121.405 120.200 0.533 0.000 2.375 155 E HA 0.553 4.903 4.350 -0.000 0.000 0.280 155 E C -1.555 175.250 176.600 0.341 0.000 0.972 155 E CA -1.252 55.350 56.400 0.337 0.000 0.782 155 E CB 1.383 31.145 29.700 0.104 0.000 1.229 155 E HN 0.251 nan 8.360 nan 0.000 0.439 156 F N 0.222 120.165 119.950 -0.011 0.000 2.579 156 F HA 0.532 5.059 4.527 -0.000 0.000 0.324 156 F C 0.834 176.624 175.800 -0.015 0.000 1.058 156 F CA -1.437 56.416 58.000 -0.245 0.000 0.944 156 F CB 0.450 38.879 39.000 -0.951 0.000 1.245 156 F HN 0.380 nan 8.300 nan 0.000 0.477 157 I N 1.481 122.229 120.570 0.296 0.000 2.194 157 I HA -0.260 3.909 4.170 -0.000 0.000 0.246 157 I C 1.025 177.398 176.117 0.427 0.000 1.093 157 I CA 1.861 63.329 61.300 0.281 0.000 1.355 157 I CB -1.012 37.128 38.000 0.233 0.000 1.046 157 I HN 0.875 nan 8.210 nan 0.000 0.413 158 Y N 1.861 122.444 120.300 0.472 0.000 3.305 158 Y HA -0.267 4.283 4.550 -0.000 0.000 0.209 158 Y C 0.781 176.835 175.900 0.256 0.000 1.354 158 Y CA -0.059 58.306 58.100 0.443 0.000 1.392 158 Y CB -2.087 36.627 38.460 0.424 0.000 1.446 158 Y HN 0.280 nan 8.280 nan 0.000 0.553 159 R N 2.473 123.193 120.500 0.366 0.000 2.638 159 R HA 0.061 4.401 4.340 -0.000 0.000 0.268 159 R C 0.406 176.821 176.300 0.192 0.000 1.006 159 R CA 0.764 57.026 56.100 0.270 0.000 1.088 159 R CB 0.240 30.684 30.300 0.241 0.000 0.950 159 R HN 0.538 nan 8.270 nan 0.000 0.419 160 E N 2.055 122.332 120.200 0.128 0.000 1.528 160 E HA -0.326 4.024 4.350 -0.000 0.000 0.362 160 E C 0.527 177.162 176.600 0.059 0.000 0.620 160 E CA 1.196 57.622 56.400 0.044 0.000 1.358 160 E CB 0.190 29.946 29.700 0.093 0.000 0.392 160 E HN 0.670 nan 8.360 nan 0.000 0.391 161 Q N 3.030 122.828 119.800 -0.004 0.000 2.354 161 Q HA 0.046 4.386 4.340 -0.000 0.000 0.203 161 Q C 0.250 176.307 176.000 0.094 0.000 0.933 161 Q CA 0.670 56.545 55.803 0.119 0.000 0.901 161 Q CB 0.446 29.251 28.738 0.111 0.000 1.007 161 Q HN 0.429 nan 8.270 nan 0.000 0.495 162 K N -1.009 119.401 120.400 0.017 0.000 2.299 162 K HA 0.104 4.424 4.320 -0.000 0.000 0.148 162 K C -0.476 176.104 176.600 -0.033 0.000 1.759 162 K CA 0.020 56.287 56.287 -0.033 0.000 0.545 162 K CB -0.044 32.464 32.500 0.013 0.000 1.715 162 K HN 0.372 nan 8.250 nan 0.000 0.364 163 G N 0.077 108.854 108.800 -0.039 0.000 1.672 163 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.110 163 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.110 163 G C -0.131 174.727 174.900 -0.070 0.000 1.946 163 G CA -0.122 44.951 45.100 -0.045 0.000 1.302 163 G HN 0.299 nan 8.290 nan 0.000 0.416 164 T N 1.113 115.614 114.554 -0.087 0.000 2.932 164 T HA 0.438 4.788 4.350 -0.000 0.000 0.312 164 T C 0.149 174.748 174.700 -0.168 0.000 1.071 164 T CA 0.521 62.545 62.100 -0.126 0.000 1.128 164 T CB 0.760 69.554 68.868 -0.123 0.000 0.984 164 T HN 0.987 nan 8.240 nan 0.000 0.549 165 V N 7.371 127.175 119.914 -0.184 0.000 2.370 165 V HA 0.497 4.617 4.120 -0.000 0.000 0.283 165 V C 0.717 176.702 176.094 -0.180 0.000 1.023 165 V CA -0.842 61.351 62.300 -0.178 0.000 0.857 165 V CB 1.204 32.897 31.823 -0.216 0.000 0.985 165 V HN 0.844 nan 8.190 nan 0.000 0.443 166 R N 3.167 123.503 120.500 -0.273 0.000 2.722 166 R HA 0.709 5.048 4.340 -0.000 0.000 0.210 166 R C -0.920 175.389 176.300 0.014 0.000 1.453 166 R CA -0.841 55.135 56.100 -0.207 0.000 0.964 166 R CB 0.352 30.363 30.300 -0.482 0.000 2.311 166 R HN 0.470 nan 8.270 nan 0.000 0.517 167 L N 0.181 121.478 121.223 0.124 0.000 2.868 167 L HA 0.256 4.596 4.340 -0.000 0.000 0.235 167 L C -2.013 174.876 176.870 0.032 0.000 0.993 167 L CA -0.148 54.752 54.840 0.099 0.000 1.070 167 L CB 0.424 42.496 42.059 0.022 0.000 1.371 167 L HN 0.456 nan 8.230 nan 0.000 0.554 168 W N 3.522 124.679 121.300 -0.239 0.000 2.150 168 W HA 0.412 5.072 4.660 -0.000 0.000 0.341 168 W C 0.911 177.115 176.519 -0.525 0.000 1.276 168 W CA 0.540 57.581 57.345 -0.506 0.000 1.238 168 W CB 0.747 29.574 29.460 -1.056 0.000 1.128 168 W HN 0.582 nan 8.180 nan 0.000 0.581 169 N N 2.991 121.554 118.700 -0.229 0.000 2.804 169 N HA 0.058 4.798 4.740 -0.000 0.000 0.251 169 N C 0.512 176.010 175.510 -0.018 0.000 1.250 169 N CA -0.105 52.877 53.050 -0.113 0.000 0.820 169 N CB 0.970 39.362 38.487 -0.158 0.000 1.156 169 N HN 0.288 nan 8.380 nan 0.000 0.512 170 V N 2.165 122.169 119.914 0.151 0.000 2.363 170 V HA -0.279 3.840 4.120 -0.000 0.000 0.254 170 V C 2.120 178.148 176.094 -0.111 0.000 1.074 170 V CA 1.838 64.192 62.300 0.091 0.000 1.069 170 V CB -0.181 31.543 31.823 -0.166 0.000 0.659 170 V HN 0.626 nan 8.190 nan 0.000 0.455 171 E N -0.085 120.071 120.200 -0.074 0.000 2.110 171 E HA -0.121 4.229 4.350 -0.000 0.000 0.193 171 E C 0.689 177.269 176.600 -0.033 0.000 0.988 171 E CA 1.624 58.021 56.400 -0.005 0.000 0.804 171 E CB -0.067 29.700 29.700 0.110 0.000 0.745 171 E HN 0.644 nan 8.360 nan 0.000 0.458 172 T N 1.853 116.357 114.554 -0.084 0.000 3.428 172 T HA 0.126 4.476 4.350 -0.000 0.000 0.301 172 T C -0.701 173.841 174.700 -0.263 0.000 1.323 172 T CA -0.761 61.261 62.100 -0.131 0.000 1.647 172 T CB 0.113 68.923 68.868 -0.096 0.000 0.871 172 T HN -0.029 nan 8.240 nan 0.000 0.627 173 N N 2.102 120.577 118.700 -0.374 0.000 3.027 173 N HA -0.117 4.623 4.740 -0.000 0.000 0.306 173 N C -0.290 174.782 175.510 -0.729 0.000 1.127 173 N CA 0.879 53.450 53.050 -0.799 0.000 0.848 173 N CB -0.444 37.676 38.487 -0.612 0.000 0.982 173 N HN 0.486 nan 8.380 nan 0.000 0.620 174 T N -0.529 113.583 114.554 -0.736 0.000 3.317 174 T HA 0.170 4.520 4.350 -0.000 0.000 0.361 174 T C 0.069 174.453 174.700 -0.528 0.000 1.499 174 T CA -0.813 60.987 62.100 -0.500 0.000 1.529 174 T CB 0.018 68.712 68.868 -0.290 0.000 0.997 174 T HN 0.344 nan 8.240 nan 0.000 0.624 175 S N 1.563 116.855 115.700 -0.680 0.000 3.072 175 S HA 0.274 4.744 4.470 -0.000 0.000 0.306 175 S C 0.845 175.343 174.600 -0.171 0.000 1.207 175 S CA -0.650 57.294 58.200 -0.427 0.000 1.008 175 S CB -0.317 62.633 63.200 -0.417 0.000 1.390 175 S HN 0.431 nan 8.310 nan 0.000 0.523 176 T N 2.189 116.661 114.554 -0.136 0.000 2.652 176 T HA 0.268 4.618 4.350 -0.000 0.000 0.345 176 T C 0.252 174.912 174.700 -0.067 0.000 1.051 176 T CA -0.407 61.639 62.100 -0.092 0.000 1.021 176 T CB 0.278 69.101 68.868 -0.074 0.000 1.141 176 T HN 0.491 nan 8.240 nan 0.000 0.518 177 V N 1.539 121.417 119.914 -0.060 0.000 2.444 177 V HA 0.254 4.374 4.120 -0.000 0.000 0.294 177 V C 0.030 176.100 176.094 -0.041 0.000 1.022 177 V CA -0.478 61.782 62.300 -0.066 0.000 0.850 177 V CB 1.474 33.254 31.823 -0.071 0.000 0.992 177 V HN 0.584 nan 8.190 nan 0.000 0.426 178 L N 5.213 126.411 121.223 -0.043 0.000 2.269 178 L HA 0.413 4.753 4.340 -0.000 0.000 0.200 178 L C 0.332 177.199 176.870 -0.005 0.000 1.069 178 L CA 1.407 56.239 54.840 -0.014 0.000 0.804 178 L CB 0.145 42.203 42.059 -0.002 0.000 0.987 178 L HN 0.393 nan 8.230 nan 0.000 0.468 179 I N -1.048 119.493 120.570 -0.048 0.000 2.894 179 I HA 0.343 4.513 4.170 -0.000 0.000 0.302 179 I C -0.329 175.731 176.117 -0.094 0.000 1.188 179 I CA -0.714 60.562 61.300 -0.040 0.000 1.014 179 I CB 2.019 39.977 38.000 -0.071 0.000 1.242 179 I HN 0.215 nan 8.210 nan 0.000 0.430 180 E N 1.509 121.654 120.200 -0.092 0.000 2.447 180 E HA 0.557 4.907 4.350 -0.000 0.000 0.258 180 E C 0.462 177.000 176.600 -0.103 0.000 0.916 180 E CA -1.021 55.310 56.400 -0.115 0.000 0.846 180 E CB 0.787 30.401 29.700 -0.143 0.000 1.517 180 E HN 0.615 nan 8.360 nan 0.000 0.418 181 G N 0.611 109.352 108.800 -0.097 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 0.603 175.446 174.900 -0.095 0.000 1.261 181 G CA 0.550 45.601 45.100 -0.082 0.000 1.438 181 G HN 0.377 nan 8.290 nan 0.000 0.530 182 K N -1.032 119.299 120.400 -0.114 0.000 2.358 182 K HA 0.329 4.649 4.320 -0.000 0.000 0.197 182 K C 1.635 178.123 176.600 -0.186 0.000 1.025 182 K CA 0.169 56.369 56.287 -0.144 0.000 1.104 182 K CB 0.420 32.831 32.500 -0.148 0.000 0.855 182 K HN 0.150 nan 8.250 nan 0.000 0.531 183 K N 0.827 121.151 120.400 -0.127 0.000 2.116 183 K HA 0.185 4.505 4.320 -0.000 0.000 0.203 183 K C 1.641 178.192 176.600 -0.081 0.000 1.052 183 K CA 1.078 57.311 56.287 -0.091 0.000 0.952 183 K CB -0.142 32.373 32.500 0.024 0.000 0.729 183 K HN 0.096 nan 8.250 nan 0.000 0.446 184 I N 1.603 122.132 120.570 -0.067 0.000 2.264 184 I HA -0.324 3.846 4.170 -0.000 0.000 0.248 184 I C 2.601 178.663 176.117 -0.091 0.000 1.111 184 I CA 1.362 62.629 61.300 -0.056 0.000 1.382 184 I CB -0.412 37.559 38.000 -0.049 0.000 1.060 184 I HN 0.336 nan 8.210 nan 0.000 0.418 185 E N 1.398 121.523 120.200 -0.124 0.000 2.021 185 E HA -0.231 4.119 4.350 -0.000 0.000 0.200 185 E C 1.153 177.633 176.600 -0.201 0.000 1.015 185 E CA 1.597 57.905 56.400 -0.153 0.000 0.824 185 E CB -0.114 29.483 29.700 -0.171 0.000 0.762 185 E HN 0.286 nan 8.360 nan 0.000 0.454 186 S N 1.787 117.328 115.700 -0.266 0.000 3.911 186 S HA 0.033 4.503 4.470 -0.000 0.000 0.188 186 S C -0.000 174.421 174.600 -0.298 0.000 1.147 186 S CA -0.065 57.919 58.200 -0.359 0.000 0.961 186 S CB -0.610 62.336 63.200 -0.425 0.000 1.582 186 S HN 0.418 nan 8.310 nan 0.000 0.458 187 L N 2.225 123.293 121.223 -0.258 0.000 4.146 187 L HA -0.245 4.095 4.340 -0.000 0.000 0.476 187 L C 0.840 177.695 176.870 -0.026 0.000 1.127 187 L CA 0.843 55.601 54.840 -0.138 0.000 0.669 187 L CB -1.592 40.371 42.059 -0.159 0.000 1.517 187 L HN 0.797 nan 8.230 nan 0.000 0.782 188 R N 0.488 120.973 120.500 -0.025 0.000 2.884 188 R HA -0.197 4.143 4.340 -0.000 0.000 0.251 188 R C 0.591 176.948 176.300 0.095 0.000 0.870 188 R CA 0.622 56.739 56.100 0.030 0.000 0.647 188 R CB -0.959 29.363 30.300 0.036 0.000 1.415 188 R HN 0.961 nan 8.270 nan 0.000 0.513 189 A N 3.455 126.349 122.820 0.123 0.000 2.561 189 A HA 0.046 4.365 4.320 -0.000 0.000 0.251 189 A C 1.291 178.999 177.584 0.206 0.000 1.062 189 A CA 0.096 52.273 52.037 0.233 0.000 0.761 189 A CB 0.138 19.356 19.000 0.364 0.000 0.986 189 A HN 0.568 nan 8.150 nan 0.000 0.510 190 I N 1.476 122.144 120.570 0.164 0.000 2.353 190 I HA -0.023 4.147 4.170 -0.000 0.000 0.248 190 I C 1.619 177.810 176.117 0.124 0.000 1.119 190 I CA 1.401 62.775 61.300 0.123 0.000 1.417 190 I CB -0.304 37.746 38.000 0.082 0.000 1.078 190 I HN 0.706 nan 8.210 nan 0.000 0.421 191 R N 0.020 120.591 120.500 0.118 0.000 2.854 191 R HA 0.444 4.784 4.340 -0.000 0.000 0.271 191 R C -1.809 174.595 176.300 0.172 0.000 0.994 191 R CA -0.655 55.480 56.100 0.059 0.000 0.945 191 R CB 2.286 32.536 30.300 -0.083 0.000 1.194 191 R HN 0.097 nan 8.270 nan 0.000 0.476 192 Y N -1.255 119.047 120.300 0.002 0.000 2.592 192 Y HA 0.554 5.104 4.550 -0.000 0.000 0.334 192 Y C -1.826 174.039 175.900 -0.059 0.000 1.136 192 Y CA -0.952 57.093 58.100 -0.091 0.000 1.042 192 Y CB 1.598 39.969 38.460 -0.148 0.000 1.325 192 Y HN 0.648 nan 8.280 nan 0.000 0.457 193 E N 3.344 123.569 120.200 0.042 0.000 2.307 193 E HA 0.454 4.804 4.350 -0.000 0.000 0.280 193 E C -1.674 175.161 176.600 0.390 0.000 0.900 193 E CA -0.959 55.518 56.400 0.128 0.000 0.790 193 E CB 1.604 31.397 29.700 0.155 0.000 1.261 193 E HN 0.707 nan 8.360 nan 0.000 0.405 194 I N 1.856 122.585 120.570 0.265 0.000 2.575 194 I HA 0.202 4.372 4.170 -0.000 0.000 0.285 194 I C 0.855 176.822 176.117 -0.249 0.000 1.085 194 I CA -0.394 60.965 61.300 0.098 0.000 1.403 194 I CB 0.633 38.680 38.000 0.079 0.000 1.409 194 I HN 0.380 nan 8.210 nan 0.000 0.557 195 S N 5.865 121.088 115.700 -0.795 0.000 2.608 195 S HA 0.391 4.861 4.470 -0.000 0.000 0.261 195 S C -1.411 172.826 174.600 -0.605 0.000 1.314 195 S CA -0.712 56.566 58.200 -1.536 0.000 0.992 195 S CB 0.400 62.433 63.200 -1.945 0.000 0.935 195 S HN 0.687 nan 8.310 nan 0.000 0.564 196 P HA -0.114 nan 4.420 nan 0.000 0.215 196 P C 0.716 177.930 177.300 -0.144 0.000 1.157 196 P CA 1.507 64.493 63.100 -0.190 0.000 0.859 196 P CB -0.414 31.209 31.700 -0.128 0.000 0.786 197 D N -0.215 120.082 120.400 -0.171 0.000 2.358 197 D HA -0.114 4.525 4.640 -0.000 0.000 0.241 197 D C 0.473 176.720 176.300 -0.088 0.000 1.094 197 D CA -0.087 53.858 54.000 -0.092 0.000 0.907 197 D CB -1.062 39.703 40.800 -0.058 0.000 0.893 197 D HN 0.041 nan 8.370 nan 0.000 0.528 198 R N -0.645 119.776 120.500 -0.131 0.000 3.610 198 R HA -0.218 4.122 4.340 -0.000 0.000 0.274 198 R C 0.365 176.619 176.300 -0.077 0.000 1.123 198 R CA 1.227 57.270 56.100 -0.096 0.000 0.747 198 R CB -2.037 28.234 30.300 -0.047 0.000 1.149 198 R HN 0.424 nan 8.270 nan 0.000 0.471 199 E N -1.467 118.689 120.200 -0.073 0.000 2.526 199 E HA 0.124 4.474 4.350 -0.000 0.000 0.208 199 E C -0.426 176.088 176.600 -0.145 0.000 0.997 199 E CA 0.304 56.666 56.400 -0.063 0.000 0.961 199 E CB 0.500 30.214 29.700 0.023 0.000 1.030 199 E HN 0.242 nan 8.360 nan 0.000 0.483 200 Y N -0.485 119.743 120.300 -0.121 0.000 2.689 200 Y HA 0.597 5.147 4.550 -0.000 0.000 0.333 200 Y C -0.776 175.172 175.900 0.081 0.000 1.190 200 Y CA -1.101 57.016 58.100 0.028 0.000 1.063 200 Y CB 1.889 40.422 38.460 0.122 0.000 1.294 200 Y HN -0.165 nan 8.280 nan 0.000 0.466 201 A N 1.157 124.267 122.820 0.484 0.000 2.515 201 A HA 0.756 5.076 4.320 -0.000 0.000 0.298 201 A C -2.203 175.550 177.584 0.282 0.000 1.059 201 A CA -0.650 51.559 52.037 0.286 0.000 0.698 201 A CB 1.430 20.364 19.000 -0.110 0.000 1.289 201 A HN 0.687 nan 8.150 nan 0.000 0.404 202 L N 2.152 123.465 121.223 0.150 0.000 2.276 202 L HA 0.569 4.909 4.340 -0.000 0.000 0.286 202 L C -1.526 175.296 176.870 -0.080 0.000 1.024 202 L CA -0.330 54.526 54.840 0.027 0.000 0.826 202 L CB 0.624 42.562 42.059 -0.203 0.000 1.211 202 L HN 0.723 nan 8.230 nan 0.000 0.422 203 F N 1.494 121.620 119.950 0.295 0.000 2.458 203 F HA 0.519 5.046 4.527 -0.000 0.000 0.330 203 F C 0.471 176.402 175.800 0.217 0.000 1.082 203 F CA -0.589 57.572 58.000 0.268 0.000 0.995 203 F CB 2.139 41.265 39.000 0.211 0.000 1.170 203 F HN 0.347 nan 8.300 nan 0.000 0.478 204 S N 1.729 117.589 115.700 0.267 0.000 2.538 204 S HA 0.803 5.273 4.470 -0.000 0.000 0.288 204 S C -1.442 173.218 174.600 0.101 0.000 1.108 204 S CA -0.712 57.410 58.200 -0.130 0.000 0.971 204 S CB 1.427 64.329 63.200 -0.497 0.000 1.041 204 S HN 0.627 nan 8.310 nan 0.000 0.483 205 Y N -0.596 119.653 120.300 -0.085 0.000 2.638 205 Y HA 0.715 5.265 4.550 -0.000 0.000 0.339 205 Y C -0.095 175.825 175.900 0.035 0.000 1.084 205 Y CA -1.455 56.651 58.100 0.011 0.000 1.068 205 Y CB 0.080 38.567 38.460 0.046 0.000 1.294 205 Y HN 0.606 nan 8.280 nan 0.000 0.480 206 N N -0.902 117.906 118.700 0.181 0.000 2.727 206 N HA -0.142 4.598 4.740 -0.000 0.000 0.249 206 N C -1.187 174.278 175.510 -0.076 0.000 1.048 206 N CA 0.712 53.812 53.050 0.083 0.000 0.714 206 N CB -1.546 37.056 38.487 0.191 0.000 0.959 206 N HN 0.556 nan 8.380 nan 0.000 0.544 207 V N 0.467 120.350 119.914 -0.053 0.000 2.508 207 V HA 0.116 4.236 4.120 -0.000 0.000 0.281 207 V C 0.951 177.022 176.094 -0.039 0.000 1.041 207 V CA -0.253 62.003 62.300 -0.074 0.000 1.016 207 V CB 1.036 32.847 31.823 -0.019 0.000 0.984 207 V HN 0.285 nan 8.190 nan 0.000 0.478 208 E N 5.576 125.739 120.200 -0.061 0.000 2.158 208 E HA 0.524 4.874 4.350 -0.000 0.000 0.271 208 E C -2.972 173.603 176.600 -0.041 0.000 0.911 208 E CA -2.574 53.798 56.400 -0.047 0.000 0.767 208 E CB 1.676 31.334 29.700 -0.069 0.000 1.120 208 E HN 0.398 nan 8.360 nan 0.000 0.405 209 P HA 0.047 nan 4.420 nan 0.000 0.265 209 P C -0.305 176.953 177.300 -0.069 0.000 1.222 209 P CA 0.204 63.285 63.100 -0.032 0.000 0.767 209 P CB 0.586 32.282 31.700 -0.007 0.000 0.801 210 I N 2.689 123.188 120.570 -0.118 0.000 3.691 210 I HA -0.080 4.090 4.170 -0.000 0.000 0.226 210 I C 1.150 177.148 176.117 -0.198 0.000 1.020 210 I CA 0.804 61.959 61.300 -0.241 0.000 1.479 210 I CB -0.336 37.467 38.000 -0.329 0.000 1.350 210 I HN 0.232 nan 8.210 nan 0.000 0.438 211 Y N 0.355 120.691 120.300 0.059 0.000 3.052 211 Y HA 0.077 4.627 4.550 -0.000 0.000 0.468 211 Y C 2.145 178.012 175.900 -0.055 0.000 1.283 211 Y CA -0.226 57.947 58.100 0.122 0.000 1.807 211 Y CB -1.010 37.557 38.460 0.180 0.000 1.580 211 Y HN 0.096 nan 8.280 nan 0.000 0.782 212 Q N -0.339 119.459 119.800 -0.003 0.000 1.921 212 Q HA -0.141 4.199 4.340 -0.000 0.000 0.208 212 Q C -0.506 175.137 176.000 -0.594 0.000 0.994 212 Q CA 1.744 57.155 55.803 -0.653 0.000 0.857 212 Q CB -0.300 27.936 28.738 -0.835 0.000 0.925 212 Q HN 0.625 nan 8.270 nan 0.000 0.421 213 H N -1.667 117.279 119.070 -0.207 0.000 2.495 213 H HA 0.527 5.083 4.556 -0.000 0.000 0.348 213 H C -1.268 173.638 175.328 -0.703 0.000 1.113 213 H CA -0.670 55.171 56.048 -0.345 0.000 1.195 213 H CB 1.851 31.452 29.762 -0.269 0.000 1.521 213 H HN 0.049 nan 8.280 nan 0.000 0.509 214 S N 3.313 118.717 115.700 -0.494 0.000 2.387 214 S HA 0.140 4.610 4.470 -0.000 0.000 0.211 214 S C -0.988 173.567 174.600 -0.074 0.000 1.055 214 S CA -0.640 57.276 58.200 -0.472 0.000 1.133 214 S CB -0.286 62.791 63.200 -0.205 0.000 1.235 214 S HN 0.612 nan 8.310 nan 0.000 0.425 215 Y N 3.198 123.471 120.300 -0.046 0.000 2.790 215 Y HA 0.133 4.683 4.550 -0.000 0.000 0.348 215 Y C 1.397 177.420 175.900 0.205 0.000 1.183 215 Y CA -0.343 57.857 58.100 0.167 0.000 2.002 215 Y CB -0.128 38.571 38.460 0.398 0.000 2.086 215 Y HN 0.525 nan 8.280 nan 0.000 0.412 216 T N 0.882 115.554 114.554 0.197 0.000 3.241 216 T HA 0.604 4.954 4.350 -0.000 0.000 0.387 216 T C 0.204 174.860 174.700 -0.072 0.000 1.451 216 T CA -0.191 61.966 62.100 0.095 0.000 1.363 216 T CB -0.201 68.689 68.868 0.036 0.000 1.074 216 T HN 0.705 nan 8.240 nan 0.000 0.598 217 G N 2.338 111.024 108.800 -0.191 0.000 3.039 217 G HA2 0.532 4.492 3.960 -0.000 0.000 0.202 217 G HA3 0.532 4.492 3.960 -0.000 0.000 0.202 217 G C -1.809 172.706 174.900 -0.642 0.000 1.151 217 G CA -0.535 44.305 45.100 -0.433 0.000 0.836 217 G HN 0.390 nan 8.290 nan 0.000 0.598 218 Y N -0.145 119.709 120.300 -0.744 0.000 2.342 218 Y HA 0.662 5.212 4.550 -0.000 0.000 0.334 218 Y C -0.810 174.537 175.900 -0.922 0.000 1.067 218 Y CA -0.685 56.867 58.100 -0.914 0.000 1.128 218 Y CB 1.594 39.063 38.460 -1.651 0.000 1.200 218 Y HN 0.321 nan 8.280 nan 0.000 0.464 219 Y N 1.360 121.616 120.300 -0.073 0.000 2.377 219 Y HA 0.661 5.211 4.550 -0.000 0.000 0.339 219 Y C -0.563 175.412 175.900 0.124 0.000 1.011 219 Y CA -0.904 57.206 58.100 0.017 0.000 1.093 219 Y CB 1.856 40.252 38.460 -0.107 0.000 1.201 219 Y HN 0.257 nan 8.280 nan 0.000 0.455 220 V N 5.056 125.209 119.914 0.399 0.000 2.760 220 V HA 0.440 4.560 4.120 -0.000 0.000 0.309 220 V C -0.797 175.527 176.094 0.383 0.000 1.077 220 V CA -0.898 61.602 62.300 0.333 0.000 0.910 220 V CB 2.240 34.253 31.823 0.317 0.000 1.008 220 V HN 0.607 nan 8.190 nan 0.000 0.424 221 L N 3.240 124.639 121.223 0.293 0.000 2.334 221 L HA 0.840 5.180 4.340 -0.000 0.000 0.272 221 L C -0.027 177.093 176.870 0.417 0.000 1.020 221 L CA -0.165 54.900 54.840 0.374 0.000 0.812 221 L CB 2.066 44.275 42.059 0.250 0.000 1.264 221 L HN 0.700 nan 8.230 nan 0.000 0.439 222 S N 0.914 116.945 115.700 0.552 0.000 2.565 222 S HA 0.425 4.895 4.470 -0.000 0.000 0.269 222 S C -1.268 173.459 174.600 0.211 0.000 1.153 222 S CA -0.869 57.551 58.200 0.368 0.000 0.835 222 S CB 1.686 65.079 63.200 0.320 0.000 1.122 222 S HN 0.482 nan 8.310 nan 0.000 0.462 223 K N 2.150 122.481 120.400 -0.114 0.000 2.185 223 K HA 0.306 4.626 4.320 -0.000 0.000 0.271 223 K C 0.987 177.478 176.600 -0.182 0.000 1.013 223 K CA -0.490 55.515 56.287 -0.469 0.000 0.943 223 K CB 0.622 32.840 32.500 -0.469 0.000 0.998 223 K HN 0.507 nan 8.250 nan 0.000 0.468 224 I N 4.564 125.013 120.570 -0.203 0.000 2.113 224 I HA -0.271 3.898 4.170 -0.000 0.000 0.242 224 I C -1.109 175.009 176.117 0.001 0.000 1.057 224 I CA 1.707 62.972 61.300 -0.059 0.000 1.314 224 I CB -0.824 37.132 38.000 -0.073 0.000 1.022 224 I HN 0.691 nan 8.210 nan 0.000 0.408 225 P HA -0.080 nan 4.420 nan 0.000 0.208 225 P C -0.551 176.919 177.300 0.284 0.000 1.200 225 P CA 1.873 65.017 63.100 0.074 0.000 0.924 225 P CB 0.049 31.656 31.700 -0.155 0.000 0.774 226 H N -5.192 113.847 119.070 -0.051 0.000 2.876 226 H HA 0.482 5.038 4.556 -0.000 0.000 0.284 226 H C -0.097 175.196 175.328 -0.059 0.000 1.445 226 H CA -0.658 55.361 56.048 -0.050 0.000 1.141 226 H CB -0.015 29.713 29.762 -0.057 0.000 1.816 226 H HN 0.490 nan 8.280 nan 0.000 0.511 227 G N 0.402 109.234 108.800 0.054 0.000 2.722 227 G HA2 0.068 4.028 3.960 -0.000 0.000 0.686 227 G HA3 0.068 4.028 3.960 -0.000 0.000 0.686 227 G C -0.933 173.946 174.900 -0.035 0.000 1.282 227 G CA 0.386 45.476 45.100 -0.018 0.000 0.817 227 G HN 1.147 nan 8.290 nan 0.000 0.605 228 D N -0.299 120.080 120.400 -0.035 0.000 3.357 228 D HA -0.104 4.535 4.640 -0.000 0.000 0.238 228 D C -1.021 175.279 176.300 0.001 0.000 1.126 228 D CA 1.444 55.431 54.000 -0.021 0.000 0.984 228 D CB -0.076 40.717 40.800 -0.011 0.000 0.925 228 D HN 0.616 nan 8.370 nan 0.000 0.414 229 P HA 0.349 nan 4.420 nan 0.000 0.276 229 P C -0.635 176.681 177.300 0.028 0.000 1.252 229 P CA -0.329 62.769 63.100 -0.003 0.000 0.802 229 P CB 1.128 32.771 31.700 -0.095 0.000 1.035 230 Q N 0.162 120.005 119.800 0.072 0.000 2.284 230 Q HA 0.352 4.692 4.340 -0.000 0.000 0.269 230 Q C -1.232 174.804 176.000 0.061 0.000 1.026 230 Q CA -0.378 55.458 55.803 0.056 0.000 0.831 230 Q CB 1.591 30.370 28.738 0.069 0.000 1.322 230 Q HN 0.300 nan 8.270 nan 0.000 0.419 231 S N 2.794 118.509 115.700 0.025 0.000 2.533 231 S HA 0.277 4.747 4.470 -0.000 0.000 0.282 231 S C -0.529 174.045 174.600 -0.042 0.000 1.304 231 S CA -0.318 57.889 58.200 0.012 0.000 1.063 231 S CB 0.109 63.292 63.200 -0.027 0.000 0.881 231 S HN 0.561 nan 8.310 nan 0.000 0.493 232 L N 5.234 126.416 121.223 -0.069 0.000 2.315 232 L HA 0.470 4.810 4.340 -0.000 0.000 0.278 232 L C -1.167 175.454 176.870 -0.416 0.000 1.088 232 L CA -0.055 54.651 54.840 -0.224 0.000 0.899 232 L CB -0.242 41.681 42.059 -0.226 0.000 1.277 232 L HN 0.474 nan 8.230 nan 0.000 0.431 233 D N 5.736 125.896 120.400 -0.401 0.000 2.340 233 D HA 0.574 5.214 4.640 -0.000 0.000 0.240 233 D C -2.419 173.562 176.300 -0.531 0.000 1.001 233 D CA -1.166 52.540 54.000 -0.490 0.000 0.888 233 D CB 1.063 41.683 40.800 -0.299 0.000 1.310 233 D HN 0.324 nan 8.370 nan 0.000 0.474 234 P HA 0.151 nan 4.420 nan 0.000 0.274 234 P C -2.557 174.637 177.300 -0.177 0.000 1.264 234 P CA -0.998 61.847 63.100 -0.424 0.000 0.795 234 P CB -0.569 30.644 31.700 -0.811 0.000 1.064 235 P HA 0.056 nan 4.420 nan 0.000 0.276 235 P C 0.118 177.430 177.300 0.019 0.000 1.243 235 P CA 0.446 63.574 63.100 0.047 0.000 0.768 235 P CB 0.418 32.199 31.700 0.135 0.000 0.856 236 E N -0.865 119.332 120.200 -0.004 0.000 4.071 236 E HA -0.116 4.234 4.350 -0.000 0.000 0.355 236 E C -0.053 176.533 176.600 -0.024 0.000 0.653 236 E CA 0.748 57.147 56.400 -0.001 0.000 1.298 236 E CB -1.965 27.753 29.700 0.031 0.000 1.712 236 E HN 0.338 nan 8.360 nan 0.000 0.416 237 V N 1.252 121.118 119.914 -0.081 0.000 2.532 237 V HA 0.427 4.547 4.120 -0.000 0.000 0.295 237 V C 1.022 177.039 176.094 -0.128 0.000 1.041 237 V CA 0.229 62.462 62.300 -0.111 0.000 0.926 237 V CB 1.823 33.508 31.823 -0.231 0.000 0.992 237 V HN 0.216 nan 8.190 nan 0.000 0.457 238 S N 2.691 118.345 115.700 -0.076 0.000 2.549 238 S HA 0.086 4.556 4.470 -0.000 0.000 0.260 238 S C 0.750 175.305 174.600 -0.075 0.000 1.217 238 S CA -0.452 57.709 58.200 -0.065 0.000 1.001 238 S CB 0.158 63.341 63.200 -0.029 0.000 1.059 238 S HN 0.894 nan 8.310 nan 0.000 0.537 239 N N 1.565 120.236 118.700 -0.047 0.000 2.360 239 N HA 0.076 4.816 4.740 -0.000 0.000 0.292 239 N C -0.843 174.719 175.510 0.087 0.000 1.330 239 N CA 0.290 53.321 53.050 -0.032 0.000 1.009 239 N CB -0.679 37.759 38.487 -0.081 0.000 1.419 239 N HN 0.577 nan 8.380 nan 0.000 0.487 240 A N 3.725 126.591 122.820 0.076 0.000 2.386 240 A HA 0.403 4.723 4.320 -0.000 0.000 0.311 240 A C -0.101 177.560 177.584 0.128 0.000 1.068 240 A CA -0.830 51.285 52.037 0.131 0.000 0.743 240 A CB 1.298 20.306 19.000 0.013 0.000 1.258 240 A HN 0.534 nan 8.150 nan 0.000 0.429 241 K N 0.866 121.288 120.400 0.036 0.000 2.414 241 K HA 0.363 4.683 4.320 -0.000 0.000 0.272 241 K C -0.846 175.813 176.600 0.099 0.000 0.993 241 K CA 0.377 56.568 56.287 -0.160 0.000 0.964 241 K CB 0.366 32.688 32.500 -0.296 0.000 0.925 241 K HN 0.560 nan 8.250 nan 0.000 0.487 242 L N 2.376 123.663 121.223 0.107 0.000 2.342 242 L HA 0.212 4.552 4.340 -0.000 0.000 0.271 242 L C 1.152 178.189 176.870 0.278 0.000 1.008 242 L CA -0.593 54.398 54.840 0.251 0.000 0.818 242 L CB 1.780 43.976 42.059 0.228 0.000 1.296 242 L HN 0.634 nan 8.230 nan 0.000 0.427 243 Q N 1.151 121.126 119.800 0.292 0.000 2.331 243 Q HA 0.049 4.389 4.340 -0.000 0.000 0.203 243 Q C -0.908 175.355 176.000 0.440 0.000 0.944 243 Q CA 0.931 56.907 55.803 0.288 0.000 0.892 243 Q CB 0.514 29.394 28.738 0.237 0.000 0.983 243 Q HN 0.509 nan 8.270 nan 0.000 0.482 244 Y N -2.345 118.113 120.300 0.263 0.000 2.638 244 Y HA 0.437 4.987 4.550 -0.000 0.000 0.334 244 Y C -1.443 174.416 175.900 -0.068 0.000 1.182 244 Y CA -0.336 57.895 58.100 0.218 0.000 1.102 244 Y CB 0.341 38.959 38.460 0.264 0.000 1.343 244 Y HN -0.195 nan 8.280 nan 0.000 0.463 245 A N 2.718 124.707 122.820 -1.386 0.000 1.936 245 A HA 0.794 5.113 4.320 -0.000 0.000 0.197 245 A C 0.866 177.765 177.584 -1.140 0.000 2.189 245 A CA 0.054 51.345 52.037 -1.243 0.000 1.491 245 A CB -0.713 17.212 19.000 -1.792 0.000 1.021 245 A HN 2.270 nan 8.150 nan 0.000 0.537 246 G N -1.620 106.643 108.800 -0.895 0.000 2.915 246 G HA2 -0.150 3.810 3.960 -0.000 0.000 0.686 246 G HA3 -0.150 3.810 3.960 -0.000 0.000 0.686 246 G C -0.408 174.387 174.900 -0.174 0.000 1.414 246 G CA 0.035 44.914 45.100 -0.369 0.000 1.053 246 G HN 0.773 nan 8.290 nan 0.000 0.598 247 W N 1.147 122.466 121.300 0.033 0.000 2.215 247 W HA 0.560 5.220 4.660 -0.000 0.000 0.342 247 W C 1.206 177.565 176.519 -0.267 0.000 1.237 247 W CA 0.128 57.444 57.345 -0.049 0.000 1.283 247 W CB 1.027 30.447 29.460 -0.066 0.000 1.131 247 W HN 0.896 nan 8.180 nan 0.000 0.606 248 G N 1.173 109.833 108.800 -0.233 0.000 2.535 248 G HA2 0.273 4.233 3.960 -0.000 0.000 0.282 248 G HA3 0.273 4.233 3.960 -0.000 0.000 0.282 248 G C -2.116 172.355 174.900 -0.716 0.000 1.350 248 G CA -0.790 43.481 45.100 -1.382 0.000 1.039 248 G HN 0.255 nan 8.290 nan 0.000 0.509 249 P HA 0.118 nan 4.420 nan 0.000 0.215 249 P C 0.372 177.598 177.300 -0.124 0.000 1.160 249 P CA 0.988 63.941 63.100 -0.246 0.000 0.869 249 P CB 0.310 31.927 31.700 -0.139 0.000 0.782 250 K N -0.916 119.428 120.400 -0.093 0.000 2.221 250 K HA 0.495 4.815 4.320 -0.000 0.000 0.243 250 K C 0.843 177.433 176.600 -0.017 0.000 0.968 250 K CA -0.248 56.020 56.287 -0.032 0.000 0.846 250 K CB 1.273 33.778 32.500 0.008 0.000 1.141 250 K HN 0.067 nan 8.250 nan 0.000 0.434 251 G N 1.708 110.500 108.800 -0.013 0.000 2.601 251 G HA2 -0.389 3.571 3.960 -0.000 0.000 0.306 251 G HA3 -0.389 3.571 3.960 -0.000 0.000 0.306 251 G C 0.106 174.966 174.900 -0.067 0.000 1.172 251 G CA 0.868 45.966 45.100 -0.003 0.000 0.966 251 G HN 0.759 nan 8.290 nan 0.000 0.542 252 Q N 0.087 119.877 119.800 -0.016 0.000 1.986 252 Q HA 0.309 4.649 4.340 -0.000 0.000 0.225 252 Q C 0.421 176.572 176.000 0.252 0.000 0.836 252 Q CA 0.508 56.268 55.803 -0.071 0.000 1.008 252 Q CB -0.178 28.477 28.738 -0.138 0.000 1.253 252 Q HN 0.977 nan 8.270 nan 0.000 0.415 253 Q N 1.345 121.271 119.800 0.210 0.000 2.421 253 Q HA 0.484 4.824 4.340 -0.000 0.000 0.255 253 Q C -0.278 175.946 176.000 0.374 0.000 1.013 253 Q CA -0.431 55.530 55.803 0.264 0.000 0.895 253 Q CB 0.806 29.768 28.738 0.374 0.000 1.271 253 Q HN 0.364 nan 8.270 nan 0.000 0.460 254 L N -1.136 120.300 121.223 0.355 0.000 2.775 254 L HA 0.729 5.069 4.340 -0.000 0.000 0.263 254 L C -1.253 175.848 176.870 0.385 0.000 1.017 254 L CA -1.159 53.877 54.840 0.328 0.000 0.891 254 L CB 1.161 43.137 42.059 -0.137 0.000 1.482 254 L HN 0.904 nan 8.230 nan 0.000 0.410 255 I N -1.017 119.771 120.570 0.363 0.000 3.042 255 I HA 0.987 5.157 4.170 -0.000 0.000 0.310 255 I C -1.446 174.706 176.117 0.057 0.000 1.117 255 I CA -0.799 60.582 61.300 0.135 0.000 1.003 255 I CB 2.538 40.576 38.000 0.063 0.000 1.228 255 I HN 0.828 nan 8.210 nan 0.000 0.443 256 F N 1.706 121.676 119.950 0.033 0.000 2.641 256 F HA 0.761 5.288 4.527 -0.000 0.000 0.308 256 F C -1.845 174.026 175.800 0.118 0.000 1.105 256 F CA -1.342 56.635 58.000 -0.037 0.000 0.964 256 F CB 0.879 39.754 39.000 -0.207 0.000 1.294 256 F HN 0.316 nan 8.300 nan 0.000 0.442 257 I N 3.535 124.372 120.570 0.445 0.000 2.354 257 I HA 0.458 4.628 4.170 -0.000 0.000 0.292 257 I C -1.443 174.954 176.117 0.467 0.000 0.989 257 I CA -0.663 60.876 61.300 0.398 0.000 1.188 257 I CB 1.704 39.868 38.000 0.274 0.000 1.342 257 I HN 0.631 nan 8.210 nan 0.000 0.457 258 F N 6.217 126.343 119.950 0.294 0.000 2.529 258 F HA 0.269 4.796 4.527 -0.000 0.000 0.320 258 F C 0.459 176.368 175.800 0.182 0.000 1.118 258 F CA -1.017 57.088 58.000 0.174 0.000 0.915 258 F CB 1.121 40.141 39.000 0.034 0.000 1.161 258 F HN 0.720 nan 8.300 nan 0.000 0.445 259 E N 3.734 123.636 120.200 -0.496 0.000 2.165 259 E HA -0.391 3.959 4.350 -0.000 0.000 0.203 259 E C -0.343 176.170 176.600 -0.144 0.000 1.335 259 E CA 0.891 57.051 56.400 -0.401 0.000 0.708 259 E CB -1.967 27.391 29.700 -0.570 0.000 1.105 259 E HN 0.806 nan 8.360 nan 0.000 0.346 260 N N -0.238 118.422 118.700 -0.066 0.000 2.725 260 N HA -0.158 4.582 4.740 -0.000 0.000 0.249 260 N C -1.248 174.263 175.510 0.001 0.000 1.103 260 N CA 1.530 54.560 53.050 -0.033 0.000 0.707 260 N CB -1.053 37.345 38.487 -0.148 0.000 1.043 260 N HN 0.604 nan 8.380 nan 0.000 0.553 261 N N 0.172 118.921 118.700 0.081 0.000 2.240 261 N HA 0.498 5.238 4.740 -0.000 0.000 0.302 261 N C -0.093 175.445 175.510 0.046 0.000 1.106 261 N CA -0.436 52.623 53.050 0.015 0.000 0.778 261 N CB 1.457 39.959 38.487 0.024 0.000 1.431 261 N HN 0.058 nan 8.380 nan 0.000 0.479 262 I N 2.284 122.737 120.570 -0.195 0.000 2.315 262 I HA 0.272 4.442 4.170 -0.000 0.000 0.291 262 I C -0.720 175.194 176.117 -0.339 0.000 1.006 262 I CA -0.527 60.642 61.300 -0.220 0.000 1.265 262 I CB 0.364 38.118 38.000 -0.410 0.000 1.387 262 I HN 0.272 nan 8.210 nan 0.000 0.475 263 Y N 5.720 125.765 120.300 -0.425 0.000 2.446 263 Y HA 0.461 5.011 4.550 -0.000 0.000 0.338 263 Y C -0.477 175.119 175.900 -0.507 0.000 1.055 263 Y CA -0.697 57.064 58.100 -0.564 0.000 1.101 263 Y CB 1.419 39.243 38.460 -1.060 0.000 1.221 263 Y HN 0.379 nan 8.280 nan 0.000 0.460 264 Y N 1.510 121.639 120.300 -0.285 0.000 2.462 264 Y HA 0.677 5.227 4.550 -0.000 0.000 0.346 264 Y C -1.344 174.523 175.900 -0.055 0.000 0.976 264 Y CA -1.798 56.204 58.100 -0.163 0.000 1.044 264 Y CB 1.477 39.868 38.460 -0.114 0.000 1.230 264 Y HN 0.698 nan 8.280 nan 0.000 0.455 265 C N 5.608 124.477 119.300 -0.719 0.000 2.442 265 C HA 0.667 5.127 4.460 -0.000 0.000 0.335 265 C C 1.103 175.642 174.990 -0.751 0.000 1.134 265 C CA -0.074 58.608 59.018 -0.560 0.000 1.344 265 C CB 0.296 27.923 27.740 -0.189 0.000 1.956 265 C HN 1.071 nan 8.230 nan 0.000 0.438 266 A N 1.814 124.225 122.820 -0.682 0.000 1.843 266 A HA -0.004 4.316 4.320 -0.000 0.000 0.213 266 A C 0.821 178.408 177.584 0.006 0.000 1.202 266 A CA 1.370 53.252 52.037 -0.258 0.000 0.607 266 A CB -0.506 18.491 19.000 -0.006 0.000 0.847 266 A HN 0.906 nan 8.150 nan 0.000 0.445 267 H N -1.533 117.486 119.070 -0.085 0.000 2.481 267 H HA 0.464 5.020 4.556 -0.000 0.000 0.339 267 H C 0.988 176.276 175.328 -0.067 0.000 1.131 267 H CA -0.064 55.958 56.048 -0.043 0.000 1.301 267 H CB 1.336 31.085 29.762 -0.021 0.000 1.476 267 H HN -0.107 nan 8.280 nan 0.000 0.529 268 V N 3.636 123.206 119.914 -0.573 0.000 2.392 268 V HA -0.190 3.930 4.120 -0.000 0.000 0.249 268 V C 2.156 178.009 176.094 -0.402 0.000 1.059 268 V CA 2.556 64.547 62.300 -0.515 0.000 1.051 268 V CB -0.799 30.499 31.823 -0.874 0.000 0.658 268 V HN 1.018 nan 8.190 nan 0.000 0.455 269 G N -0.837 107.641 108.800 -0.537 0.000 2.464 269 G HA2 -0.151 3.809 3.960 -0.000 0.000 0.217 269 G HA3 -0.151 3.809 3.960 -0.000 0.000 0.217 269 G C 0.858 175.757 174.900 -0.003 0.000 1.138 269 G CA 0.082 45.091 45.100 -0.151 0.000 0.793 269 G HN 0.455 nan 8.290 nan 0.000 0.539 270 K N 1.218 121.650 120.400 0.053 0.000 2.559 270 K HA 0.045 4.365 4.320 -0.000 0.000 0.279 270 K C 0.797 177.408 176.600 0.018 0.000 0.967 270 K CA 0.054 56.382 56.287 0.068 0.000 1.000 270 K CB 0.235 32.773 32.500 0.063 0.000 0.890 270 K HN 0.487 nan 8.250 nan 0.000 0.501 271 Q N 2.519 122.338 119.800 0.032 0.000 2.259 271 Q HA 0.511 4.851 4.340 -0.000 0.000 0.246 271 Q C -0.567 175.460 176.000 0.046 0.000 0.920 271 Q CA -0.765 55.063 55.803 0.042 0.000 0.895 271 Q CB 1.438 30.205 28.738 0.048 0.000 1.220 271 Q HN 0.587 nan 8.270 nan 0.000 0.439 272 A N 3.525 126.402 122.820 0.094 0.000 2.466 272 A HA 0.368 4.688 4.320 -0.000 0.000 0.238 272 A C -0.298 177.353 177.584 0.112 0.000 1.074 272 A CA -0.146 51.954 52.037 0.106 0.000 0.774 272 A CB 0.086 19.238 19.000 0.254 0.000 1.015 272 A HN 0.688 nan 8.150 nan 0.000 0.498 273 I N 1.159 121.765 120.570 0.060 0.000 2.498 273 I HA 0.331 4.501 4.170 -0.000 0.000 0.290 273 I C 0.425 176.470 176.117 -0.120 0.000 1.032 273 I CA -0.419 60.892 61.300 0.019 0.000 1.073 273 I CB 1.662 39.681 38.000 0.032 0.000 1.251 273 I HN 0.797 nan 8.210 nan 0.000 0.426 274 R N 4.450 124.793 120.500 -0.262 0.000 2.441 274 R HA 0.266 4.606 4.340 -0.000 0.000 0.300 274 R C 0.728 176.801 176.300 -0.378 0.000 1.284 274 R CA -0.121 55.602 56.100 -0.628 0.000 1.069 274 R CB 0.406 30.312 30.300 -0.656 0.000 1.087 274 R HN 0.557 nan 8.270 nan 0.000 0.519 275 V N 3.205 122.916 119.914 -0.338 0.000 2.407 275 V HA -0.114 4.006 4.120 -0.000 0.000 0.248 275 V C 0.883 176.809 176.094 -0.279 0.000 1.055 275 V CA 1.306 63.452 62.300 -0.256 0.000 1.049 275 V CB -0.106 31.561 31.823 -0.260 0.000 0.662 275 V HN 0.424 nan 8.190 nan 0.000 0.455 276 V N -0.026 119.674 119.914 -0.357 0.000 2.638 276 V HA 0.603 4.723 4.120 -0.000 0.000 0.306 276 V C 0.322 176.252 176.094 -0.274 0.000 1.052 276 V CA 0.410 62.523 62.300 -0.312 0.000 0.885 276 V CB 2.295 33.843 31.823 -0.458 0.000 0.999 276 V HN 0.401 nan 8.190 nan 0.000 0.424 277 S N 1.396 116.984 115.700 -0.187 0.000 2.937 277 S HA 0.027 4.496 4.470 -0.000 0.000 0.252 277 S C 0.957 175.506 174.600 -0.085 0.000 1.022 277 S CA 0.364 58.478 58.200 -0.144 0.000 1.079 277 S CB 0.163 63.284 63.200 -0.133 0.000 1.035 277 S HN 1.075 nan 8.310 nan 0.000 0.594 278 T N -0.513 113.996 114.554 -0.076 0.000 3.252 278 T HA 0.316 4.666 4.350 -0.000 0.000 0.250 278 T C 0.964 175.643 174.700 -0.035 0.000 1.123 278 T CA 0.198 62.271 62.100 -0.045 0.000 1.006 278 T CB -0.466 68.382 68.868 -0.035 0.000 0.992 278 T HN 0.444 nan 8.240 nan 0.000 0.547 279 G N 0.955 109.727 108.800 -0.047 0.000 2.442 279 G HA2 0.422 4.382 3.960 -0.000 0.000 0.249 279 G HA3 0.422 4.382 3.960 -0.000 0.000 0.249 279 G C -0.721 174.136 174.900 -0.071 0.000 1.263 279 G CA -0.769 44.298 45.100 -0.056 0.000 0.846 279 G HN 0.505 nan 8.290 nan 0.000 0.555 280 K N 2.109 122.445 120.400 -0.107 0.000 2.668 280 K HA 0.133 4.453 4.320 -0.000 0.000 0.246 280 K C -0.299 176.200 176.600 -0.170 0.000 0.976 280 K CA -0.628 55.597 56.287 -0.103 0.000 0.902 280 K CB 0.916 33.381 32.500 -0.058 0.000 1.172 280 K HN 0.410 nan 8.250 nan 0.000 0.452 281 E N 1.924 122.023 120.200 -0.169 0.000 3.131 281 E HA -0.153 4.197 4.350 -0.000 0.000 0.258 281 E C 0.985 177.494 176.600 -0.152 0.000 0.901 281 E CA 2.020 58.305 56.400 -0.192 0.000 0.964 281 E CB 0.250 29.872 29.700 -0.129 0.000 0.903 281 E HN 0.983 nan 8.360 nan 0.000 0.537 282 G N 2.021 110.665 108.800 -0.260 0.000 2.189 282 G HA2 -0.343 3.617 3.960 -0.000 0.000 0.267 282 G HA3 -0.343 3.617 3.960 -0.000 0.000 0.267 282 G C 0.851 175.876 174.900 0.208 0.000 0.975 282 G CA 0.540 45.666 45.100 0.042 0.000 0.644 282 G HN 0.427 nan 8.290 nan 0.000 0.537 283 V N -0.476 119.417 119.914 -0.035 0.000 3.058 283 V HA 0.417 4.537 4.120 -0.000 0.000 0.233 283 V C 0.713 176.824 176.094 0.028 0.000 1.255 283 V CA 0.702 63.035 62.300 0.055 0.000 1.267 283 V CB 0.503 32.355 31.823 0.049 0.000 1.049 283 V HN 0.229 nan 8.190 nan 0.000 0.486 284 I N 1.522 122.038 120.570 -0.090 0.000 2.405 284 I HA 0.432 4.602 4.170 -0.000 0.000 0.280 284 I C -1.282 174.797 176.117 -0.064 0.000 1.027 284 I CA -0.707 60.589 61.300 -0.008 0.000 1.161 284 I CB 0.583 38.574 38.000 -0.015 0.000 1.300 284 I HN 0.182 nan 8.210 nan 0.000 0.463 285 Y N 5.103 125.422 120.300 0.032 0.000 2.330 285 Y HA 0.451 5.001 4.550 -0.000 0.000 0.336 285 Y C 0.630 176.563 175.900 0.055 0.000 1.036 285 Y CA -0.879 57.249 58.100 0.047 0.000 1.125 285 Y CB 1.204 39.696 38.460 0.054 0.000 1.194 285 Y HN 0.510 nan 8.280 nan 0.000 0.469 286 N N 0.737 119.562 118.700 0.208 0.000 2.454 286 N HA 0.502 5.242 4.740 -0.000 0.000 0.291 286 N C 0.252 175.849 175.510 0.146 0.000 1.079 286 N CA -0.489 52.700 53.050 0.231 0.000 0.893 286 N CB 2.318 40.975 38.487 0.283 0.000 1.512 286 N HN 0.808 nan 8.380 nan 0.000 0.497 287 G N 1.222 110.123 108.800 0.169 0.000 2.259 287 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.217 287 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.217 287 G C -0.388 174.545 174.900 0.056 0.000 1.001 287 G CA -0.131 45.007 45.100 0.063 0.000 0.627 287 G HN 0.479 nan 8.290 nan 0.000 0.501 288 L N 1.035 122.313 121.223 0.092 0.000 2.371 288 L HA 0.692 5.032 4.340 -0.000 0.000 0.262 288 L C 0.367 177.287 176.870 0.083 0.000 1.006 288 L CA -1.035 53.856 54.840 0.086 0.000 0.818 288 L CB 2.210 44.384 42.059 0.192 0.000 1.354 288 L HN 0.122 nan 8.230 nan 0.000 0.415 289 S N 0.162 115.885 115.700 0.038 0.000 2.614 289 S HA 0.191 4.661 4.470 -0.000 0.000 0.265 289 S C -0.587 173.896 174.600 -0.196 0.000 1.303 289 S CA -0.796 57.391 58.200 -0.021 0.000 1.000 289 S CB 0.841 64.076 63.200 0.059 0.000 0.935 289 S HN 0.705 nan 8.310 nan 0.000 0.551 290 D N -0.624 119.555 120.400 -0.367 0.000 2.529 290 D HA 0.056 4.696 4.640 -0.000 0.000 0.273 290 D C 0.951 177.173 176.300 -0.131 0.000 1.197 290 D CA -0.782 52.831 54.000 -0.644 0.000 1.070 290 D CB 0.266 40.709 40.800 -0.594 0.000 1.134 290 D HN 0.561 nan 8.370 nan 0.000 0.590 291 W N 0.247 121.446 121.300 -0.168 0.000 2.304 291 W HA -0.244 4.416 4.660 -0.000 0.000 0.328 291 W C 2.255 178.644 176.519 -0.217 0.000 1.242 291 W CA 1.978 59.125 57.345 -0.330 0.000 1.243 291 W CB -0.806 28.475 29.460 -0.299 0.000 1.170 291 W HN 0.376 nan 8.180 nan 0.000 0.460 292 L N -0.099 121.088 121.223 -0.061 0.000 2.051 292 L HA -0.292 4.048 4.340 -0.000 0.000 0.214 292 L C 2.323 178.965 176.870 -0.381 0.000 1.076 292 L CA 2.114 56.764 54.840 -0.316 0.000 0.758 292 L CB -1.452 40.605 42.059 -0.004 0.000 0.890 292 L HN 0.165 nan 8.230 nan 0.000 0.433 293 Y N -0.174 119.943 120.300 -0.305 0.000 2.293 293 Y HA -0.208 4.342 4.550 -0.000 0.000 0.291 293 Y C 2.673 178.422 175.900 -0.252 0.000 1.137 293 Y CA 1.742 59.696 58.100 -0.244 0.000 1.202 293 Y CB -0.227 38.146 38.460 -0.145 0.000 0.990 293 Y HN 0.459 nan 8.280 nan 0.000 0.537 294 E N -0.173 119.925 120.200 -0.171 0.000 2.051 294 E HA -0.195 4.155 4.350 -0.000 0.000 0.189 294 E C 1.903 178.353 176.600 -0.250 0.000 0.979 294 E CA 1.136 57.457 56.400 -0.131 0.000 0.803 294 E CB 0.046 29.730 29.700 -0.027 0.000 0.761 294 E HN 0.256 nan 8.360 nan 0.000 0.451 295 E N 0.031 119.866 120.200 -0.609 0.000 2.112 295 E HA -0.116 4.234 4.350 -0.000 0.000 0.190 295 E C 1.525 177.845 176.600 -0.467 0.000 0.979 295 E CA 1.210 57.230 56.400 -0.634 0.000 0.814 295 E CB 0.243 29.160 29.700 -1.304 0.000 0.762 295 E HN 0.152 nan 8.360 nan 0.000 0.460 296 E N -1.265 118.602 120.200 -0.556 0.000 2.279 296 E HA 0.125 4.474 4.350 -0.000 0.000 0.199 296 E C 1.727 178.086 176.600 -0.400 0.000 0.893 296 E CA 0.727 56.884 56.400 -0.406 0.000 0.978 296 E CB -0.005 29.433 29.700 -0.437 0.000 0.964 296 E HN 0.293 nan 8.360 nan 0.000 0.486 297 I N -1.246 118.990 120.570 -0.557 0.000 2.703 297 I HA 0.154 4.324 4.170 -0.000 0.000 0.259 297 I C 1.524 177.384 176.117 -0.429 0.000 1.151 297 I CA 1.203 62.129 61.300 -0.624 0.000 1.470 297 I CB 0.010 37.362 38.000 -1.080 0.000 1.112 297 I HN 0.073 nan 8.210 nan 0.000 0.437 298 L N 0.018 121.042 121.223 -0.332 0.000 2.515 298 L HA 0.253 4.593 4.340 -0.000 0.000 0.223 298 L C 0.575 177.400 176.870 -0.075 0.000 1.079 298 L CA 0.059 54.817 54.840 -0.136 0.000 0.857 298 L CB 0.022 42.087 42.059 0.011 0.000 1.050 298 L HN 0.152 nan 8.230 nan 0.000 0.476 299 K N 1.211 121.562 120.400 -0.082 0.000 3.160 299 K HA -0.137 4.183 4.320 -0.000 0.000 0.280 299 K C -0.406 176.222 176.600 0.047 0.000 1.154 299 K CA 0.992 57.284 56.287 0.009 0.000 0.822 299 K CB -2.394 30.112 32.500 0.009 0.000 1.239 299 K HN 0.473 nan 8.250 nan 0.000 0.489 300 T N -1.908 112.641 114.554 -0.008 0.000 2.840 300 T HA 0.363 4.713 4.350 -0.000 0.000 0.317 300 T C 0.863 175.509 174.700 -0.091 0.000 1.401 300 T CA -0.685 61.310 62.100 -0.174 0.000 1.028 300 T CB 1.337 70.059 68.868 -0.243 0.000 1.317 300 T HN 0.210 nan 8.240 nan 0.000 0.495 301 H N 0.458 119.425 119.070 -0.172 0.000 2.520 301 H HA 0.270 4.826 4.556 -0.000 0.000 0.279 301 H C 0.877 176.123 175.328 -0.137 0.000 0.990 301 H CA -0.237 55.760 56.048 -0.086 0.000 1.288 301 H CB 0.175 29.880 29.762 -0.096 0.000 1.446 301 H HN 0.464 nan 8.280 nan 0.000 0.538 302 I N 2.054 122.203 120.570 -0.702 0.000 2.471 302 I HA 0.322 4.492 4.170 -0.000 0.000 0.286 302 I C -0.293 175.503 176.117 -0.535 0.000 1.079 302 I CA 0.045 60.964 61.300 -0.635 0.000 1.398 302 I CB 0.538 38.067 38.000 -0.785 0.000 1.403 302 I HN 0.200 nan 8.210 nan 0.000 0.530 303 A N 8.221 130.717 122.820 -0.541 0.000 2.959 303 A HA 0.378 4.698 4.320 -0.000 0.000 0.280 303 A C -0.348 176.557 177.584 -1.131 0.000 0.953 303 A CA -0.497 51.145 52.037 -0.659 0.000 1.047 303 A CB -0.326 18.570 19.000 -0.173 0.000 1.147 303 A HN 0.890 nan 8.150 nan 0.000 0.489 304 H N -2.625 115.528 119.070 -1.527 0.000 2.961 304 H HA 0.649 5.205 4.556 -0.000 0.000 0.371 304 H C -1.930 172.704 175.328 -1.156 0.000 1.190 304 H CA -1.409 53.975 56.048 -1.106 0.000 1.138 304 H CB 1.145 30.625 29.762 -0.469 0.000 1.816 304 H HN 0.369 nan 8.280 nan 0.000 0.551 305 W N 1.490 122.938 121.300 0.247 0.000 3.132 305 W HA 0.141 4.801 4.660 -0.000 0.000 0.337 305 W C -1.738 175.120 176.519 0.565 0.000 1.082 305 W CA -1.049 56.526 57.345 0.382 0.000 1.242 305 W CB 1.362 31.030 29.460 0.347 0.000 1.354 305 W HN 0.542 nan 8.180 nan 0.000 0.461 306 W N 2.145 123.724 121.300 0.465 0.000 2.261 306 W HA 0.340 4.999 4.660 -0.000 0.000 0.323 306 W C 1.149 177.470 176.519 -0.331 0.000 1.243 306 W CA 0.035 57.474 57.345 0.158 0.000 1.210 306 W CB 0.576 30.100 29.460 0.107 0.000 1.149 306 W HN 0.174 nan 8.180 nan 0.000 0.562 307 S N 2.096 117.396 115.700 -0.668 0.000 2.584 307 S HA 0.157 4.626 4.470 -0.000 0.000 0.270 307 S C -1.782 172.528 174.600 -0.484 0.000 1.346 307 S CA -0.869 56.437 58.200 -1.491 0.000 1.018 307 S CB 1.008 63.425 63.200 -1.305 0.000 0.899 307 S HN 0.288 nan 8.310 nan 0.000 0.542 308 P HA -0.111 nan 4.420 nan 0.000 0.216 308 P C 0.633 177.894 177.300 -0.065 0.000 1.150 308 P CA 1.466 64.509 63.100 -0.095 0.000 0.837 308 P CB -0.153 31.526 31.700 -0.035 0.000 0.786 309 D N -2.049 118.296 120.400 -0.091 0.000 2.328 309 D HA 0.113 4.753 4.640 -0.000 0.000 0.221 309 D C 1.205 177.502 176.300 -0.004 0.000 1.072 309 D CA 0.234 54.212 54.000 -0.036 0.000 0.850 309 D CB -1.256 39.526 40.800 -0.031 0.000 0.922 309 D HN 0.131 nan 8.370 nan 0.000 0.516 310 G N -0.061 108.746 108.800 0.012 0.000 2.258 310 G HA2 -0.343 3.617 3.960 -0.000 0.000 0.274 310 G HA3 -0.343 3.617 3.960 -0.000 0.000 0.274 310 G C 0.843 175.827 174.900 0.140 0.000 1.021 310 G CA 1.043 46.234 45.100 0.153 0.000 0.798 310 G HN 0.418 nan 8.290 nan 0.000 0.507 311 T N -1.280 113.286 114.554 0.020 0.000 3.034 311 T HA 0.258 4.608 4.350 -0.000 0.000 0.248 311 T C 1.219 175.898 174.700 -0.035 0.000 1.040 311 T CA 0.569 62.672 62.100 0.005 0.000 1.107 311 T CB 0.609 69.471 68.868 -0.010 0.000 0.932 311 T HN 0.465 nan 8.240 nan 0.000 0.474 312 R N 0.562 121.004 120.500 -0.097 0.000 2.740 312 R HA 0.677 5.017 4.340 -0.000 0.000 0.282 312 R C -1.815 174.457 176.300 -0.047 0.000 0.969 312 R CA -0.867 55.200 56.100 -0.055 0.000 0.918 312 R CB 2.087 32.390 30.300 0.005 0.000 1.175 312 R HN 0.046 nan 8.270 nan 0.000 0.464 313 L N 1.747 122.997 121.223 0.045 0.000 2.349 313 L HA 0.617 4.957 4.340 -0.000 0.000 0.278 313 L C -1.062 176.019 176.870 0.353 0.000 0.996 313 L CA -0.233 54.634 54.840 0.044 0.000 0.825 313 L CB 1.789 43.636 42.059 -0.353 0.000 1.243 313 L HN 0.793 nan 8.230 nan 0.000 0.412 314 A N 4.579 127.753 122.820 0.590 0.000 2.312 314 A HA 0.774 5.094 4.320 -0.000 0.000 0.326 314 A C -1.565 176.360 177.584 0.568 0.000 1.172 314 A CA -0.278 52.090 52.037 0.550 0.000 0.821 314 A CB 0.624 19.904 19.000 0.466 0.000 1.166 314 A HN 0.884 nan 8.150 nan 0.000 0.493 315 Y N -0.960 119.519 120.300 0.297 0.000 2.519 315 Y HA 0.709 5.259 4.550 -0.000 0.000 0.336 315 Y C -0.255 175.788 175.900 0.238 0.000 1.089 315 Y CA -1.038 57.165 58.100 0.171 0.000 1.025 315 Y CB 0.687 39.162 38.460 0.025 0.000 1.318 315 Y HN 0.915 nan 8.280 nan 0.000 0.452 316 A N 2.288 125.232 122.820 0.208 0.000 2.340 316 A HA 0.827 5.147 4.320 -0.000 0.000 0.268 316 A C -0.303 177.363 177.584 0.136 0.000 1.100 316 A CA -0.187 51.925 52.037 0.124 0.000 0.803 316 A CB 0.028 19.130 19.000 0.170 0.000 1.043 316 A HN 1.635 nan 8.150 nan 0.000 0.488 317 A N 2.651 125.525 122.820 0.090 0.000 2.323 317 A HA 0.627 4.947 4.320 -0.000 0.000 0.305 317 A C -0.513 177.102 177.584 0.052 0.000 1.275 317 A CA -0.313 51.825 52.037 0.168 0.000 0.804 317 A CB 0.132 19.303 19.000 0.285 0.000 1.152 317 A HN 0.699 nan 8.150 nan 0.000 0.487 318 I N 2.574 123.160 120.570 0.027 0.000 2.336 318 I HA 0.248 4.418 4.170 -0.000 0.000 0.292 318 I C -0.130 176.016 176.117 0.049 0.000 0.991 318 I CA -0.620 60.638 61.300 -0.070 0.000 1.227 318 I CB 1.590 39.452 38.000 -0.230 0.000 1.366 318 I HN 0.608 nan 8.210 nan 0.000 0.466 319 N N 5.516 124.217 118.700 0.002 0.000 2.511 319 N HA 0.189 4.929 4.740 -0.000 0.000 0.249 319 N C -0.301 175.194 175.510 -0.026 0.000 0.971 319 N CA -0.266 52.793 53.050 0.014 0.000 0.938 319 N CB 1.167 39.656 38.487 0.002 0.000 1.131 319 N HN 0.455 nan 8.380 nan 0.000 0.505 320 D N 1.137 121.508 120.400 -0.047 0.000 2.340 320 D HA -0.035 4.605 4.640 -0.000 0.000 0.217 320 D C 1.495 177.555 176.300 -0.399 0.000 1.081 320 D CA 0.144 54.022 54.000 -0.205 0.000 0.842 320 D CB 0.350 41.017 40.800 -0.222 0.000 0.934 320 D HN 0.546 nan 8.370 nan 0.000 0.511 321 S N 1.075 116.652 115.700 -0.206 0.000 2.381 321 S HA -0.229 4.241 4.470 -0.000 0.000 0.230 321 S C 1.596 176.156 174.600 -0.067 0.000 1.052 321 S CA 1.266 59.392 58.200 -0.124 0.000 1.068 321 S CB 0.061 63.236 63.200 -0.043 0.000 0.918 321 S HN 0.272 nan 8.310 nan 0.000 0.448 322 R N 0.182 120.653 120.500 -0.048 0.000 2.388 322 R HA 0.289 4.629 4.340 -0.000 0.000 0.247 322 R C -0.484 175.832 176.300 0.027 0.000 0.931 322 R CA -0.188 55.913 56.100 0.001 0.000 1.082 322 R CB 0.539 30.837 30.300 -0.002 0.000 1.135 322 R HN 0.240 nan 8.270 nan 0.000 0.525 323 V N 2.822 122.747 119.914 0.020 0.000 2.546 323 V HA 0.190 4.310 4.120 -0.000 0.000 0.284 323 V C -2.005 174.234 176.094 0.241 0.000 1.050 323 V CA -2.141 60.221 62.300 0.105 0.000 0.981 323 V CB 1.393 33.271 31.823 0.091 0.000 0.990 323 V HN -0.018 nan 8.190 nan 0.000 0.474 324 P HA 0.160 nan 4.420 nan 0.000 0.268 324 P C -0.524 176.833 177.300 0.095 0.000 1.208 324 P CA 0.067 63.236 63.100 0.114 0.000 0.777 324 P CB 0.509 32.253 31.700 0.073 0.000 0.875 325 I N 2.330 122.883 120.570 -0.028 0.000 2.362 325 I HA 0.475 4.645 4.170 -0.000 0.000 0.289 325 I C -0.599 175.400 176.117 -0.197 0.000 0.994 325 I CA -1.246 59.931 61.300 -0.205 0.000 1.158 325 I CB 1.043 38.856 38.000 -0.311 0.000 1.315 325 I HN 0.187 nan 8.210 nan 0.000 0.451 326 M N 7.384 126.801 119.600 -0.304 0.000 2.216 326 M HA 0.369 4.849 4.480 -0.000 0.000 0.356 326 M C -0.838 175.340 176.300 -0.203 0.000 1.205 326 M CA 0.508 55.612 55.300 -0.327 0.000 1.122 326 M CB 0.801 33.056 32.600 -0.575 0.000 1.571 326 M HN 0.542 nan 8.290 nan 0.000 0.464 327 E N 3.860 123.964 120.200 -0.159 0.000 2.174 327 E HA 0.403 4.753 4.350 -0.000 0.000 0.282 327 E C -1.472 175.077 176.600 -0.084 0.000 0.992 327 E CA -0.713 55.638 56.400 -0.081 0.000 0.803 327 E CB 1.241 30.891 29.700 -0.084 0.000 1.090 327 E HN 0.487 nan 8.360 nan 0.000 0.396 328 L N 5.757 126.968 121.223 -0.021 0.000 2.282 328 L HA 0.320 4.660 4.340 -0.000 0.000 0.288 328 L C -2.171 174.656 176.870 -0.071 0.000 1.033 328 L CA -2.290 52.530 54.840 -0.034 0.000 0.807 328 L CB 0.929 42.988 42.059 0.001 0.000 1.209 328 L HN 0.368 nan 8.230 nan 0.000 0.423 329 P HA 0.136 nan 4.420 nan 0.000 0.271 329 P C -0.834 176.317 177.300 -0.249 0.000 1.216 329 P CA -0.193 62.786 63.100 -0.202 0.000 0.771 329 P CB 0.870 32.501 31.700 -0.114 0.000 0.864 330 T N 3.162 117.463 114.554 -0.422 0.000 2.876 330 T HA 0.427 4.777 4.350 -0.000 0.000 0.289 330 T C -0.390 174.028 174.700 -0.470 0.000 1.014 330 T CA 0.070 62.001 62.100 -0.282 0.000 0.986 330 T CB 0.915 69.692 68.868 -0.151 0.000 1.021 330 T HN 0.284 nan 8.240 nan 0.000 0.458 331 Y N -0.025 120.230 120.300 -0.075 0.000 2.767 331 Y HA 0.279 4.829 4.550 -0.000 0.000 0.254 331 Y C 1.749 177.605 175.900 -0.074 0.000 1.133 331 Y CA -0.547 57.506 58.100 -0.078 0.000 1.225 331 Y CB 0.828 39.230 38.460 -0.096 0.000 1.312 331 Y HN 0.607 nan 8.280 nan 0.000 0.560 332 T N -2.022 112.569 114.554 0.061 0.000 3.010 332 T HA 0.155 4.505 4.350 -0.000 0.000 0.253 332 T C 1.943 176.643 174.700 -0.001 0.000 0.939 332 T CA 0.526 62.639 62.100 0.021 0.000 0.910 332 T CB 0.042 68.914 68.868 0.008 0.000 1.226 332 T HN 0.381 nan 8.240 nan 0.000 0.508 333 G N 2.929 111.725 108.800 -0.007 0.000 2.768 333 G HA2 -0.099 3.861 3.960 -0.000 0.000 0.181 333 G HA3 -0.099 3.861 3.960 -0.000 0.000 0.181 333 G C 0.978 175.878 174.900 0.000 0.000 1.477 333 G CA 1.067 46.162 45.100 -0.008 0.000 0.826 333 G HN 0.618 nan 8.290 nan 0.000 0.600 334 S N -0.487 115.219 115.700 0.011 0.000 2.625 334 S HA 0.299 4.769 4.470 -0.000 0.000 0.262 334 S C 1.444 176.060 174.600 0.026 0.000 1.223 334 S CA -0.298 57.921 58.200 0.031 0.000 0.993 334 S CB 0.731 63.965 63.200 0.057 0.000 1.051 334 S HN 0.116 nan 8.310 nan 0.000 0.562 335 I N -0.467 120.137 120.570 0.056 0.000 2.315 335 I HA 0.025 4.195 4.170 -0.000 0.000 0.248 335 I C 0.150 176.186 176.117 -0.136 0.000 1.117 335 I CA 1.019 62.308 61.300 -0.020 0.000 1.404 335 I CB -0.626 37.402 38.000 0.047 0.000 1.071 335 I HN 0.525 nan 8.210 nan 0.000 0.419 336 Y N 2.422 122.708 120.300 -0.023 0.000 2.854 336 Y HA 0.350 4.900 4.550 -0.000 0.000 0.330 336 Y C -1.909 173.963 175.900 -0.046 0.000 1.037 336 Y CA -3.337 54.744 58.100 -0.032 0.000 1.263 336 Y CB -0.395 38.048 38.460 -0.029 0.000 1.120 336 Y HN 0.042 nan 8.280 nan 0.000 0.532 337 P HA 0.056 nan 4.420 nan 0.000 0.269 337 P C -0.018 177.256 177.300 -0.044 0.000 1.215 337 P CA 0.077 63.158 63.100 -0.033 0.000 0.780 337 P CB 1.805 33.447 31.700 -0.096 0.000 0.898 338 T N -0.120 114.398 114.554 -0.060 0.000 2.901 338 T HA 0.456 4.806 4.350 -0.000 0.000 0.293 338 T C -0.251 174.394 174.700 -0.091 0.000 1.084 338 T CA -0.759 61.304 62.100 -0.063 0.000 1.008 338 T CB 1.132 69.982 68.868 -0.031 0.000 1.170 338 T HN 0.332 nan 8.240 nan 0.000 0.509 339 V N 1.830 121.692 119.914 -0.087 0.000 3.003 339 V HA 0.679 4.799 4.120 -0.000 0.000 0.305 339 V C -0.374 175.691 176.094 -0.048 0.000 1.078 339 V CA -0.565 61.684 62.300 -0.085 0.000 1.083 339 V CB 0.638 32.413 31.823 -0.080 0.000 1.039 339 V HN 0.679 nan 8.190 nan 0.000 0.481 340 K N 4.419 124.799 120.400 -0.033 0.000 2.367 340 K HA 0.540 4.860 4.320 -0.000 0.000 0.263 340 K C -2.673 173.961 176.600 0.058 0.000 1.000 340 K CA -1.797 54.488 56.287 -0.002 0.000 0.891 340 K CB 1.823 34.309 32.500 -0.023 0.000 1.117 340 K HN 0.662 nan 8.250 nan 0.000 0.443 341 P HA 0.385 nan 4.420 nan 0.000 0.284 341 P C -1.185 176.259 177.300 0.241 0.000 1.258 341 P CA -0.447 62.711 63.100 0.097 0.000 0.824 341 P CB 0.882 32.583 31.700 0.002 0.000 1.038 342 Y N -2.047 118.209 120.300 -0.073 0.000 2.661 342 Y HA 0.314 4.864 4.550 -0.000 0.000 0.339 342 Y C -1.160 174.713 175.900 -0.045 0.000 1.186 342 Y CA -1.145 56.957 58.100 0.004 0.000 1.137 342 Y CB 0.390 38.958 38.460 0.180 0.000 1.354 342 Y HN 0.304 nan 8.280 nan 0.000 0.469 343 H N 3.044 122.147 119.070 0.055 0.000 2.819 343 H HA 0.184 4.740 4.556 -0.000 0.000 0.303 343 H C -1.615 173.628 175.328 -0.143 0.000 1.058 343 H CA 0.445 56.473 56.048 -0.033 0.000 1.471 343 H CB 0.958 30.790 29.762 0.118 0.000 1.480 343 H HN 0.723 nan 8.280 nan 0.000 0.517 344 Y N 5.722 125.855 120.300 -0.278 0.000 2.332 344 Y HA 0.243 4.793 4.550 -0.000 0.000 0.325 344 Y C -2.745 173.113 175.900 -0.070 0.000 1.054 344 Y CA -2.624 55.308 58.100 -0.279 0.000 1.119 344 Y CB 1.985 40.073 38.460 -0.619 0.000 1.168 344 Y HN 0.391 nan 8.280 nan 0.000 0.439 345 P HA 0.261 nan 4.420 nan 0.000 0.291 345 P C -0.890 176.514 177.300 0.173 0.000 1.378 345 P CA -0.452 62.718 63.100 0.116 0.000 0.853 345 P CB 1.397 33.148 31.700 0.086 0.000 1.002 346 K N 2.354 122.923 120.400 0.282 0.000 2.187 346 K HA 0.428 4.748 4.320 -0.000 0.000 0.247 346 K C 0.645 177.381 176.600 0.227 0.000 1.019 346 K CA -0.199 56.270 56.287 0.303 0.000 0.893 346 K CB 0.010 32.660 32.500 0.250 0.000 1.025 346 K HN 0.489 nan 8.250 nan 0.000 0.500 347 A N 0.832 123.811 122.820 0.264 0.000 2.546 347 A HA 0.378 4.698 4.320 -0.000 0.000 0.243 347 A C 1.275 178.982 177.584 0.205 0.000 1.063 347 A CA 0.931 53.120 52.037 0.253 0.000 0.757 347 A CB -1.127 18.091 19.000 0.364 0.000 0.991 347 A HN 0.878 nan 8.150 nan 0.000 0.503 348 G N 1.602 110.502 108.800 0.166 0.000 2.268 348 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.240 348 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.240 348 G C 0.791 175.725 174.900 0.056 0.000 1.010 348 G CA 0.952 46.114 45.100 0.104 0.000 0.618 348 G HN 2.037 nan 8.290 nan 0.000 0.516 349 S N 0.193 115.942 115.700 0.081 0.000 2.641 349 S HA 0.578 5.048 4.470 -0.000 0.000 0.261 349 S C 0.128 174.759 174.600 0.052 0.000 1.257 349 S CA -0.289 57.948 58.200 0.061 0.000 0.983 349 S CB 1.154 64.404 63.200 0.083 0.000 0.990 349 S HN 0.468 nan 8.310 nan 0.000 0.572 350 E N 0.710 120.936 120.200 0.043 0.000 2.316 350 E HA 0.173 4.522 4.350 -0.000 0.000 0.275 350 E C -0.191 176.438 176.600 0.049 0.000 1.029 350 E CA -0.019 56.399 56.400 0.030 0.000 0.871 350 E CB 0.390 30.102 29.700 0.020 0.000 1.022 350 E HN 0.500 nan 8.360 nan 0.000 0.418 351 N N 2.736 121.459 118.700 0.039 0.000 2.476 351 N HA 0.243 4.983 4.740 -0.000 0.000 0.275 351 N C -2.339 173.208 175.510 0.062 0.000 1.190 351 N CA -1.600 51.497 53.050 0.080 0.000 0.977 351 N CB 0.812 39.360 38.487 0.101 0.000 1.200 351 N HN 0.286 nan 8.380 nan 0.000 0.515 352 P HA -0.023 nan 4.420 nan 0.000 0.268 352 P C -0.982 176.328 177.300 0.017 0.000 1.204 352 P CA 0.052 63.186 63.100 0.057 0.000 0.768 352 P CB 0.887 32.637 31.700 0.084 0.000 0.842 353 S N 3.551 119.226 115.700 -0.041 0.000 2.452 353 S HA 0.431 4.900 4.470 -0.000 0.000 0.284 353 S C -0.161 174.386 174.600 -0.088 0.000 1.171 353 S CA -0.774 57.377 58.200 -0.081 0.000 1.064 353 S CB -0.401 62.759 63.200 -0.066 0.000 0.967 353 S HN 0.426 nan 8.310 nan 0.000 0.484 354 I N 4.185 124.691 120.570 -0.107 0.000 2.648 354 I HA 0.686 4.856 4.170 -0.000 0.000 0.304 354 I C -0.639 175.484 176.117 0.010 0.000 1.009 354 I CA -0.302 60.948 61.300 -0.083 0.000 1.114 354 I CB 2.080 40.020 38.000 -0.099 0.000 1.293 354 I HN 0.809 nan 8.210 nan 0.000 0.449 355 S N 6.551 122.250 115.700 -0.002 0.000 2.536 355 S HA 0.532 5.002 4.470 -0.000 0.000 0.271 355 S C -1.397 173.078 174.600 -0.208 0.000 1.134 355 S CA -0.796 57.375 58.200 -0.048 0.000 0.897 355 S CB 1.843 64.989 63.200 -0.089 0.000 1.094 355 S HN 0.542 nan 8.310 nan 0.000 0.473 356 L N 3.705 124.774 121.223 -0.256 0.000 2.295 356 L HA 0.634 4.974 4.340 -0.000 0.000 0.285 356 L C -0.760 175.790 176.870 -0.533 0.000 1.035 356 L CA 0.188 54.848 54.840 -0.300 0.000 0.806 356 L CB 0.640 42.580 42.059 -0.198 0.000 1.214 356 L HN 0.886 nan 8.230 nan 0.000 0.426 357 H N 3.644 122.491 119.070 -0.371 0.000 2.797 357 H HA 0.754 5.310 4.556 -0.000 0.000 0.372 357 H C -1.223 173.974 175.328 -0.219 0.000 1.168 357 H CA -0.721 55.097 56.048 -0.383 0.000 1.163 357 H CB 2.318 31.662 29.762 -0.698 0.000 1.778 357 H HN 0.381 nan 8.280 nan 0.000 0.551 358 V N 3.139 123.142 119.914 0.147 0.000 2.760 358 V HA 0.309 4.429 4.120 -0.000 0.000 0.309 358 V C -0.504 175.742 176.094 0.252 0.000 1.077 358 V CA -0.811 61.635 62.300 0.243 0.000 0.910 358 V CB 1.861 33.822 31.823 0.229 0.000 1.008 358 V HN 0.582 nan 8.190 nan 0.000 0.424 359 I N 1.165 121.878 120.570 0.237 0.000 2.934 359 I HA 0.980 5.150 4.170 -0.000 0.000 0.306 359 I C 0.409 176.567 176.117 0.069 0.000 1.110 359 I CA -0.857 60.526 61.300 0.140 0.000 1.019 359 I CB 1.744 39.792 38.000 0.081 0.000 1.227 359 I HN 0.619 nan 8.210 nan 0.000 0.434 360 G N 2.745 111.576 108.800 0.052 0.000 2.395 360 G HA2 0.533 4.493 3.960 -0.000 0.000 0.283 360 G HA3 0.533 4.493 3.960 -0.000 0.000 0.283 360 G C 0.058 174.925 174.900 -0.054 0.000 1.178 360 G CA -0.666 44.447 45.100 0.021 0.000 0.837 360 G HN 0.762 nan 8.290 nan 0.000 0.518 361 L N 1.389 122.556 121.223 -0.093 0.000 2.628 361 L HA 0.222 4.562 4.340 -0.000 0.000 0.229 361 L C 0.058 176.934 176.870 0.011 0.000 1.137 361 L CA -0.202 54.515 54.840 -0.205 0.000 0.909 361 L CB -0.378 41.471 42.059 -0.351 0.000 1.137 361 L HN 0.608 nan 8.230 nan 0.000 0.470 362 N N -0.140 118.590 118.700 0.050 0.000 2.425 362 N HA 0.588 5.328 4.740 -0.000 0.000 0.289 362 N C -0.280 175.275 175.510 0.074 0.000 1.074 362 N CA 0.046 53.151 53.050 0.092 0.000 0.905 362 N CB 1.465 40.008 38.487 0.093 0.000 1.586 362 N HN 0.053 nan 8.380 nan 0.000 0.490 363 G N 1.942 110.789 108.800 0.079 0.000 2.661 363 G HA2 -0.140 3.820 3.960 -0.000 0.000 0.685 363 G HA3 -0.140 3.820 3.960 -0.000 0.000 0.685 363 G C -2.118 172.831 174.900 0.083 0.000 1.298 363 G CA -0.520 44.626 45.100 0.077 0.000 0.855 363 G HN 0.462 nan 8.290 nan 0.000 0.560 364 P HA -0.114 nan 4.420 nan 0.000 0.219 364 P C 1.287 178.620 177.300 0.055 0.000 1.147 364 P CA 3.133 66.277 63.100 0.073 0.000 0.821 364 P CB -0.300 31.465 31.700 0.109 0.000 0.771 365 T N -3.825 110.799 114.554 0.117 0.000 2.851 365 T HA -0.246 4.104 4.350 -0.000 0.000 0.470 365 T C -0.451 174.305 174.700 0.093 0.000 0.782 365 T CA -0.037 62.117 62.100 0.090 0.000 2.467 365 T CB -2.814 66.059 68.868 0.010 0.000 1.668 365 T HN 0.279 nan 8.240 nan 0.000 0.572 366 H N 2.167 121.253 119.070 0.026 0.000 2.878 366 H HA 0.463 5.019 4.556 -0.000 0.000 0.290 366 H C 0.512 175.872 175.328 0.054 0.000 1.065 366 H CA -0.013 56.056 56.048 0.035 0.000 1.477 366 H CB 0.758 30.543 29.762 0.037 0.000 1.484 366 H HN 0.550 nan 8.280 nan 0.000 0.504 367 D N 3.712 124.180 120.400 0.114 0.000 2.312 367 D HA 0.163 4.803 4.640 -0.000 0.000 0.252 367 D C -0.848 175.546 176.300 0.156 0.000 1.150 367 D CA -0.335 53.745 54.000 0.133 0.000 0.870 367 D CB 0.632 41.480 40.800 0.080 0.000 1.153 367 D HN 0.286 nan 8.370 nan 0.000 0.457 368 L N 2.797 124.129 121.223 0.182 0.000 2.381 368 L HA 0.370 4.709 4.340 -0.000 0.000 0.268 368 L C 0.266 177.240 176.870 0.173 0.000 0.997 368 L CA -0.787 54.149 54.840 0.161 0.000 0.818 368 L CB 1.939 44.069 42.059 0.119 0.000 1.310 368 L HN 0.336 nan 8.230 nan 0.000 0.416 369 E N 2.734 123.015 120.200 0.134 0.000 2.249 369 E HA 0.375 4.725 4.350 -0.000 0.000 0.280 369 E C -1.022 175.553 176.600 -0.042 0.000 1.016 369 E CA -0.808 55.573 56.400 -0.032 0.000 0.830 369 E CB 0.948 30.615 29.700 -0.056 0.000 1.081 369 E HN 0.409 nan 8.360 nan 0.000 0.395 370 M N 4.358 123.914 119.600 -0.073 0.000 2.135 370 M HA 0.187 4.667 4.480 -0.000 0.000 0.345 370 M C -0.520 175.799 176.300 0.031 0.000 1.340 370 M CA -0.464 54.836 55.300 -0.000 0.000 1.162 370 M CB 0.108 32.722 32.600 0.022 0.000 1.570 370 M HN 0.600 nan 8.290 nan 0.000 0.454 371 M N 7.055 126.630 119.600 -0.041 0.000 2.238 371 M HA 0.214 4.694 4.480 -0.000 0.000 0.350 371 M C -1.781 174.319 176.300 -0.334 0.000 1.321 371 M CA -1.779 53.444 55.300 -0.129 0.000 1.097 371 M CB -0.191 32.336 32.600 -0.121 0.000 1.713 371 M HN 0.341 nan 8.290 nan 0.000 0.455 372 P HA 0.325 nan 4.420 nan 0.000 0.276 372 P C -2.545 174.222 177.300 -0.888 0.000 1.261 372 P CA -1.012 61.271 63.100 -1.361 0.000 0.800 372 P CB -0.258 30.561 31.700 -1.468 0.000 1.066 373 P HA 0.052 nan 4.420 nan 0.000 0.321 373 P C -0.217 176.838 177.300 -0.408 0.000 1.338 373 P CA 0.608 63.366 63.100 -0.570 0.000 0.764 373 P CB 0.304 31.678 31.700 -0.542 0.000 1.641 374 D N -3.877 116.350 120.400 -0.288 0.000 2.218 374 D HA 0.050 4.690 4.640 -0.000 0.000 0.307 374 D C -0.754 175.454 176.300 -0.154 0.000 1.086 374 D CA -0.059 53.822 54.000 -0.200 0.000 0.886 374 D CB -0.527 40.182 40.800 -0.152 0.000 1.645 374 D HN 0.218 nan 8.370 nan 0.000 0.523 375 D N 2.748 123.057 120.400 -0.151 0.000 4.368 375 D HA -0.106 4.534 4.640 -0.000 0.000 0.202 375 D C -1.690 174.556 176.300 -0.090 0.000 1.209 375 D CA -0.013 53.921 54.000 -0.110 0.000 0.766 375 D CB 0.351 41.085 40.800 -0.111 0.000 1.226 375 D HN 0.152 nan 8.370 nan 0.000 0.663 376 P HA -0.196 nan 4.420 nan 0.000 0.221 376 P C 0.626 177.903 177.300 -0.038 0.000 1.141 376 P CA 1.053 64.124 63.100 -0.050 0.000 0.794 376 P CB 0.050 31.725 31.700 -0.041 0.000 0.764 377 R N -1.492 118.982 120.500 -0.043 0.000 2.752 377 R HA 0.282 4.621 4.340 -0.000 0.000 0.279 377 R C 0.356 176.642 176.300 -0.023 0.000 1.212 377 R CA 0.113 56.196 56.100 -0.029 0.000 1.169 377 R CB -0.330 29.952 30.300 -0.031 0.000 1.286 377 R HN 0.091 nan 8.270 nan 0.000 0.564 378 M N 1.192 120.777 119.600 -0.025 0.000 5.002 378 M HA 0.217 4.697 4.480 -0.000 0.000 0.592 378 M C -0.196 176.140 176.300 0.059 0.000 2.251 378 M CA -0.083 55.216 55.300 -0.002 0.000 0.437 378 M CB 1.201 33.737 32.600 -0.106 0.000 1.452 378 M HN 0.124 nan 8.290 nan 0.000 0.641 379 R N 0.202 120.743 120.500 0.068 0.000 2.189 379 R HA 0.290 4.630 4.340 -0.000 0.000 0.203 379 R C 0.243 176.616 176.300 0.122 0.000 1.012 379 R CA 0.492 56.644 56.100 0.086 0.000 1.015 379 R CB 0.516 30.829 30.300 0.021 0.000 0.938 379 R HN 0.426 nan 8.270 nan 0.000 0.472 380 E N 0.524 120.768 120.200 0.074 0.000 2.185 380 E HA 0.311 4.661 4.350 -0.000 0.000 0.261 380 E C -1.362 175.211 176.600 -0.045 0.000 0.879 380 E CA -0.590 55.767 56.400 -0.071 0.000 0.756 380 E CB 1.471 31.100 29.700 -0.118 0.000 1.152 380 E HN -0.004 nan 8.360 nan 0.000 0.416 381 Y N 0.952 121.161 120.300 -0.152 0.000 2.644 381 Y HA 0.612 5.162 4.550 -0.000 0.000 0.338 381 Y C -1.633 174.183 175.900 -0.141 0.000 1.119 381 Y CA -1.271 56.741 58.100 -0.147 0.000 1.060 381 Y CB 0.819 39.322 38.460 0.071 0.000 1.294 381 Y HN 0.223 nan 8.280 nan 0.000 0.472 382 Y N 0.955 121.420 120.300 0.276 0.000 2.485 382 Y HA 0.636 5.186 4.550 -0.000 0.000 0.345 382 Y C -0.489 175.547 175.900 0.227 0.000 0.998 382 Y CA -1.746 56.458 58.100 0.174 0.000 1.059 382 Y CB 2.007 40.437 38.460 -0.050 0.000 1.234 382 Y HN 0.525 nan 8.280 nan 0.000 0.461 383 I N 2.323 123.103 120.570 0.350 0.000 2.307 383 I HA 0.136 4.306 4.170 -0.000 0.000 0.289 383 I C 0.744 176.851 176.117 -0.016 0.000 1.021 383 I CA -0.123 61.183 61.300 0.011 0.000 1.224 383 I CB 1.326 39.233 38.000 -0.155 0.000 1.376 383 I HN 0.855 nan 8.210 nan 0.000 0.470 384 T N 3.471 117.968 114.554 -0.094 0.000 3.060 384 T HA 0.241 4.591 4.350 -0.000 0.000 0.249 384 T C 0.390 175.013 174.700 -0.128 0.000 1.079 384 T CA -0.003 62.032 62.100 -0.108 0.000 1.013 384 T CB 0.412 69.233 68.868 -0.077 0.000 0.975 384 T HN 0.415 nan 8.240 nan 0.000 0.518 385 M N 1.730 121.201 119.600 -0.215 0.000 2.346 385 M HA 0.504 4.984 4.480 -0.000 0.000 0.287 385 M C -2.429 173.606 176.300 -0.442 0.000 1.100 385 M CA -0.973 54.180 55.300 -0.245 0.000 0.950 385 M CB 1.785 34.310 32.600 -0.125 0.000 1.815 385 M HN 0.113 nan 8.290 nan 0.000 0.497 386 V N 4.971 124.504 119.914 -0.635 0.000 2.711 386 V HA 0.868 4.988 4.120 -0.000 0.000 0.304 386 V C -1.922 173.635 176.094 -0.895 0.000 1.097 386 V CA -0.267 61.492 62.300 -0.902 0.000 0.906 386 V CB 2.138 33.147 31.823 -1.357 0.000 1.015 386 V HN 1.043 nan 8.190 nan 0.000 0.427 387 K N 4.958 124.999 120.400 -0.598 0.000 2.546 387 K HA 0.508 4.828 4.320 -0.000 0.000 0.264 387 K C -1.935 174.461 176.600 -0.341 0.000 0.937 387 K CA -0.721 55.363 56.287 -0.338 0.000 0.833 387 K CB 1.885 34.333 32.500 -0.087 0.000 1.378 387 K HN 0.724 nan 8.250 nan 0.000 0.432 388 W N 2.571 123.789 121.300 -0.136 0.000 2.311 388 W HA 0.344 5.004 4.660 -0.000 0.000 0.310 388 W C 0.910 177.236 176.519 -0.322 0.000 1.274 388 W CA -0.162 57.084 57.345 -0.165 0.000 1.215 388 W CB 1.471 30.913 29.460 -0.030 0.000 1.227 388 W HN 0.845 nan 8.180 nan 0.000 0.523 389 A N 2.365 124.964 122.820 -0.368 0.000 1.935 389 A HA 0.126 4.446 4.320 -0.000 0.000 0.214 389 A C 1.073 178.507 177.584 -0.249 0.000 1.178 389 A CA 1.708 53.212 52.037 -0.888 0.000 0.640 389 A CB -0.366 17.863 19.000 -1.285 0.000 0.825 389 A HN 0.555 nan 8.150 nan 0.000 0.447 390 T N -5.727 108.819 114.554 -0.013 0.000 2.618 390 T HA 0.410 4.760 4.350 -0.000 0.000 0.293 390 T C 0.420 175.219 174.700 0.166 0.000 1.093 390 T CA 0.387 62.533 62.100 0.076 0.000 1.061 390 T CB 0.960 69.867 68.868 0.064 0.000 1.498 390 T HN -0.145 nan 8.240 nan 0.000 0.494 391 S N -0.357 115.394 115.700 0.084 0.000 2.575 391 S HA 0.206 4.676 4.470 -0.000 0.000 0.215 391 S C 1.336 175.993 174.600 0.094 0.000 0.966 391 S CA 0.619 58.812 58.200 -0.012 0.000 0.911 391 S CB -0.261 62.905 63.200 -0.057 0.000 0.780 391 S HN 0.835 nan 8.310 nan 0.000 0.514 392 T N 0.529 115.205 114.554 0.204 0.000 2.954 392 T HA 0.278 4.628 4.350 -0.000 0.000 0.252 392 T C -0.016 174.829 174.700 0.241 0.000 0.983 392 T CA 0.050 62.279 62.100 0.216 0.000 0.941 392 T CB 0.178 69.114 68.868 0.114 0.000 1.141 392 T HN 0.106 nan 8.240 nan 0.000 0.500 393 K N 1.274 121.793 120.400 0.199 0.000 2.259 393 K HA 0.693 5.012 4.320 -0.000 0.000 0.252 393 K C -1.586 174.974 176.600 -0.067 0.000 0.936 393 K CA -0.691 55.623 56.287 0.045 0.000 0.810 393 K CB 2.882 35.374 32.500 -0.013 0.000 1.143 393 K HN 0.042 nan 8.250 nan 0.000 0.427 394 V N 1.593 121.324 119.914 -0.305 0.000 2.638 394 V HA 0.664 4.784 4.120 -0.000 0.000 0.306 394 V C -1.199 174.636 176.094 -0.433 0.000 1.052 394 V CA -0.533 61.411 62.300 -0.594 0.000 0.885 394 V CB 1.583 32.719 31.823 -1.144 0.000 0.999 394 V HN 0.909 nan 8.190 nan 0.000 0.424 395 A N 6.018 128.585 122.820 -0.422 0.000 2.331 395 A HA 0.808 5.127 4.320 -0.000 0.000 0.283 395 A C -0.710 176.670 177.584 -0.339 0.000 1.142 395 A CA -0.346 51.527 52.037 -0.272 0.000 0.812 395 A CB 1.080 20.013 19.000 -0.111 0.000 1.074 395 A HN 1.197 nan 8.150 nan 0.000 0.497 396 V N 1.952 121.701 119.914 -0.275 0.000 2.760 396 V HA 0.499 4.619 4.120 -0.000 0.000 0.309 396 V C -0.118 175.745 176.094 -0.385 0.000 1.077 396 V CA -0.493 61.538 62.300 -0.448 0.000 0.910 396 V CB 2.335 33.805 31.823 -0.589 0.000 1.008 396 V HN 0.921 nan 8.190 nan 0.000 0.424 397 T N 3.670 117.955 114.554 -0.448 0.000 2.770 397 T HA 0.470 4.820 4.350 -0.000 0.000 0.283 397 T C -1.102 173.396 174.700 -0.338 0.000 0.988 397 T CA -0.148 61.813 62.100 -0.232 0.000 0.957 397 T CB 0.579 69.399 68.868 -0.079 0.000 0.930 397 T HN 0.556 nan 8.240 nan 0.000 0.443 398 W N 3.850 125.103 121.300 -0.079 0.000 2.329 398 W HA 0.640 5.300 4.660 -0.000 0.000 0.312 398 W C -0.557 175.954 176.519 -0.012 0.000 1.054 398 W CA -0.957 56.350 57.345 -0.063 0.000 1.245 398 W CB 0.579 29.906 29.460 -0.221 0.000 1.255 398 W HN 0.358 nan 8.180 nan 0.000 0.436 399 L N 5.745 127.120 121.223 0.254 0.000 2.322 399 L HA 0.517 4.857 4.340 -0.000 0.000 0.281 399 L C -0.092 176.917 176.870 0.231 0.000 1.014 399 L CA -0.711 54.257 54.840 0.213 0.000 0.815 399 L CB 0.639 42.821 42.059 0.203 0.000 1.247 399 L HN 0.473 nan 8.230 nan 0.000 0.421 400 N N 3.021 121.806 118.700 0.141 0.000 2.503 400 N HA 0.094 4.834 4.740 -0.000 0.000 0.267 400 N C 0.799 176.280 175.510 -0.049 0.000 1.214 400 N CA -0.258 52.831 53.050 0.064 0.000 0.959 400 N CB 0.532 39.046 38.487 0.045 0.000 1.142 400 N HN 0.710 nan 8.380 nan 0.000 0.455 401 R N 1.701 122.054 120.500 -0.245 0.000 2.140 401 R HA -0.243 4.097 4.340 -0.000 0.000 0.250 401 R C 1.523 177.806 176.300 -0.028 0.000 1.150 401 R CA 2.344 58.244 56.100 -0.334 0.000 0.966 401 R CB -1.053 29.080 30.300 -0.278 0.000 0.869 401 R HN 0.730 nan 8.270 nan 0.000 0.445 402 A N -0.044 122.772 122.820 -0.007 0.000 2.172 402 A HA -0.091 4.229 4.320 -0.000 0.000 0.216 402 A C 0.585 178.197 177.584 0.046 0.000 1.154 402 A CA 1.150 53.201 52.037 0.025 0.000 0.701 402 A CB -0.260 18.751 19.000 0.019 0.000 0.789 402 A HN 0.646 nan 8.150 nan 0.000 0.465 403 Q N -1.357 118.490 119.800 0.079 0.000 2.468 403 Q HA -0.208 4.132 4.340 -0.000 0.000 0.289 403 Q C 0.008 176.070 176.000 0.104 0.000 1.299 403 Q CA 0.654 56.523 55.803 0.110 0.000 0.838 403 Q CB -1.674 27.116 28.738 0.086 0.000 1.195 403 Q HN 0.999 nan 8.270 nan 0.000 0.456 404 N N -1.622 117.118 118.700 0.068 0.000 2.143 404 N HA 0.175 4.915 4.740 -0.000 0.000 0.222 404 N C -0.334 175.189 175.510 0.022 0.000 1.264 404 N CA 0.136 53.212 53.050 0.044 0.000 0.897 404 N CB 1.112 39.614 38.487 0.024 0.000 1.092 404 N HN 0.045 nan 8.380 nan 0.000 0.516 405 V N 0.477 120.408 119.914 0.029 0.000 2.668 405 V HA 0.510 4.630 4.120 -0.000 0.000 0.304 405 V C -0.983 175.125 176.094 0.022 0.000 1.071 405 V CA -0.745 61.558 62.300 0.005 0.000 0.894 405 V CB 1.729 33.547 31.823 -0.009 0.000 1.008 405 V HN 0.232 nan 8.190 nan 0.000 0.425 406 S N 4.889 120.587 115.700 -0.003 0.000 2.542 406 S HA 0.856 5.326 4.470 -0.000 0.000 0.293 406 S C -1.110 173.466 174.600 -0.040 0.000 1.089 406 S CA -0.504 57.704 58.200 0.013 0.000 0.961 406 S CB 1.288 64.505 63.200 0.027 0.000 1.062 406 S HN 0.578 nan 8.310 nan 0.000 0.483 407 I N 4.132 124.713 120.570 0.018 0.000 2.497 407 I HA 0.335 4.505 4.170 -0.000 0.000 0.284 407 I C -0.593 175.565 176.117 0.069 0.000 1.060 407 I CA -0.457 60.841 61.300 -0.003 0.000 1.071 407 I CB 1.630 39.621 38.000 -0.016 0.000 1.216 407 I HN 0.489 nan 8.210 nan 0.000 0.442 408 L N 5.570 126.760 121.223 -0.055 0.000 2.397 408 L HA 0.481 4.821 4.340 -0.000 0.000 0.271 408 L C -0.293 176.579 176.870 0.004 0.000 1.148 408 L CA 0.596 55.387 54.840 -0.082 0.000 0.825 408 L CB 1.311 43.225 42.059 -0.242 0.000 1.117 408 L HN 0.594 nan 8.230 nan 0.000 0.456 409 T N 4.618 119.186 114.554 0.024 0.000 2.956 409 T HA 0.413 4.763 4.350 -0.000 0.000 0.312 409 T C -0.933 173.772 174.700 0.008 0.000 1.151 409 T CA -0.488 61.651 62.100 0.066 0.000 1.024 409 T CB 1.638 70.655 68.868 0.249 0.000 1.140 409 T HN 0.373 nan 8.240 nan 0.000 0.473 410 L N 2.536 123.762 121.223 0.005 0.000 2.298 410 L HA 0.577 4.917 4.340 -0.000 0.000 0.284 410 L C -0.586 176.267 176.870 -0.028 0.000 1.013 410 L CA -0.611 54.214 54.840 -0.025 0.000 0.824 410 L CB 0.787 42.858 42.059 0.020 0.000 1.221 410 L HN 0.733 nan 8.230 nan 0.000 0.418 411 c N 1.331 119.892 118.600 -0.066 0.000 2.454 411 c HA 0.359 4.929 4.570 -0.000 0.000 0.336 411 c C 0.101 174.160 174.090 -0.051 0.000 1.189 411 c CA -1.021 55.277 56.329 -0.052 0.000 1.877 411 c CB 1.649 44.125 42.510 -0.056 0.000 2.348 411 c HN 0.603 nan 8.230 nan 0.000 0.508 412 D N 1.178 121.568 120.400 -0.017 0.000 2.380 412 D HA 0.301 4.941 4.640 -0.000 0.000 0.230 412 D C 0.774 177.094 176.300 0.034 0.000 1.154 412 D CA 0.021 54.030 54.000 0.015 0.000 0.859 412 D CB 1.437 42.249 40.800 0.020 0.000 1.045 412 D HN 0.742 nan 8.370 nan 0.000 0.495 413 A N 3.052 125.918 122.820 0.078 0.000 2.292 413 A HA -0.105 4.215 4.320 -0.000 0.000 0.209 413 A C 1.545 179.209 177.584 0.133 0.000 1.209 413 A CA 1.593 53.716 52.037 0.143 0.000 0.746 413 A CB -0.401 18.828 19.000 0.381 0.000 0.764 413 A HN 0.607 nan 8.150 nan 0.000 0.492 414 T N -7.582 107.024 114.554 0.086 0.000 3.041 414 T HA 0.138 4.488 4.350 -0.000 0.000 0.276 414 T C 1.218 175.944 174.700 0.042 0.000 0.948 414 T CA 0.877 63.016 62.100 0.065 0.000 0.885 414 T CB 0.250 69.150 68.868 0.053 0.000 1.175 414 T HN 0.123 nan 8.240 nan 0.000 0.529 415 T N 0.518 115.093 114.554 0.035 0.000 3.085 415 T HA 0.520 4.869 4.350 -0.000 0.000 0.241 415 T C 1.786 176.496 174.700 0.018 0.000 0.988 415 T CA 0.670 62.782 62.100 0.020 0.000 1.117 415 T CB -0.067 68.807 68.868 0.011 0.000 0.978 415 T HN 0.747 nan 8.240 nan 0.000 0.454 416 G N 1.228 110.036 108.800 0.013 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 0.162 175.052 174.900 -0.018 0.000 0.986 416 G CA -0.057 45.045 45.100 0.004 0.000 0.643 416 G HN 0.543 nan 8.290 nan 0.000 0.522 417 V N 1.503 121.406 119.914 -0.019 0.000 2.432 417 V HA 0.432 4.552 4.120 -0.000 0.000 0.271 417 V C 0.877 176.947 176.094 -0.040 0.000 1.046 417 V CA -0.345 61.933 62.300 -0.037 0.000 0.945 417 V CB 0.994 32.799 31.823 -0.030 0.000 0.992 417 V HN 0.431 nan 8.190 nan 0.000 0.471 418 c N 4.220 122.781 118.600 -0.064 0.000 2.341 418 c HA 0.668 5.238 4.570 -0.000 0.000 0.338 418 c C 0.718 174.764 174.090 -0.074 0.000 1.257 418 c CA -0.418 55.879 56.329 -0.053 0.000 1.883 418 c CB 1.025 43.506 42.510 -0.048 0.000 2.334 418 c HN 0.885 nan 8.230 nan 0.000 0.524 419 T N 2.615 117.143 114.554 -0.043 0.000 2.807 419 T HA 0.282 4.632 4.350 -0.000 0.000 0.279 419 T C -0.249 174.431 174.700 -0.034 0.000 0.993 419 T CA -0.517 61.557 62.100 -0.043 0.000 0.970 419 T CB 1.047 69.904 68.868 -0.019 0.000 0.950 419 T HN 0.677 nan 8.240 nan 0.000 0.441 420 K N 1.906 122.273 120.400 -0.054 0.000 2.489 420 K HA 0.083 4.403 4.320 -0.000 0.000 0.278 420 K C 0.456 177.057 176.600 0.002 0.000 1.000 420 K CA 0.229 56.491 56.287 -0.042 0.000 1.012 420 K CB 0.377 32.838 32.500 -0.064 0.000 0.903 420 K HN 0.406 nan 8.250 nan 0.000 0.485 421 K N 1.899 122.317 120.400 0.031 0.000 2.477 421 K HA 0.140 4.460 4.320 -0.000 0.000 0.208 421 K C -0.922 175.767 176.600 0.148 0.000 1.117 421 K CA -0.059 56.282 56.287 0.089 0.000 1.039 421 K CB 0.289 32.860 32.500 0.118 0.000 0.937 421 K HN 0.766 nan 8.250 nan 0.000 0.570 422 H N -0.819 118.220 119.070 -0.052 0.000 2.891 422 H HA 0.060 4.616 4.556 -0.000 0.000 0.250 422 H C -2.024 173.253 175.328 -0.086 0.000 1.407 422 H CA -0.421 55.580 56.048 -0.079 0.000 1.255 422 H CB 0.907 30.600 29.762 -0.116 0.000 1.811 422 H HN 0.105 nan 8.280 nan 0.000 0.444 423 E N 2.081 121.783 120.200 -0.830 0.000 2.388 423 E HA 0.427 4.777 4.350 -0.000 0.000 0.282 423 E C -2.117 174.109 176.600 -0.624 0.000 1.026 423 E CA -0.885 55.173 56.400 -0.570 0.000 0.820 423 E CB 2.485 32.034 29.700 -0.252 0.000 1.226 423 E HN 0.436 nan 8.360 nan 0.000 0.432 424 D N 0.432 120.621 120.400 -0.351 0.000 2.601 424 D HA 0.460 5.100 4.640 -0.000 0.000 0.230 424 D C -1.224 175.020 176.300 -0.093 0.000 1.106 424 D CA -0.652 53.234 54.000 -0.188 0.000 0.873 424 D CB 1.680 42.422 40.800 -0.096 0.000 1.515 424 D HN 0.575 nan 8.370 nan 0.000 0.468 425 E N -0.749 119.415 120.200 -0.060 0.000 2.366 425 E HA 0.713 5.063 4.350 -0.000 0.000 0.278 425 E C -1.358 175.221 176.600 -0.034 0.000 0.923 425 E CA -1.036 55.341 56.400 -0.039 0.000 0.761 425 E CB 2.147 31.821 29.700 -0.042 0.000 1.231 425 E HN 0.204 nan 8.360 nan 0.000 0.443 426 S N 0.315 115.995 115.700 -0.033 0.000 2.627 426 S HA 0.237 4.707 4.470 -0.000 0.000 0.283 426 S C 0.170 174.729 174.600 -0.068 0.000 1.127 426 S CA -0.497 57.670 58.200 -0.054 0.000 0.863 426 S CB 1.821 64.977 63.200 -0.073 0.000 1.121 426 S HN 0.648 nan 8.310 nan 0.000 0.479 427 E N 0.903 121.051 120.200 -0.087 0.000 2.051 427 E HA 0.031 4.381 4.350 -0.000 0.000 0.189 427 E C 1.736 178.265 176.600 -0.119 0.000 0.979 427 E CA 1.070 57.422 56.400 -0.079 0.000 0.803 427 E CB -0.167 29.497 29.700 -0.060 0.000 0.761 427 E HN 0.617 nan 8.360 nan 0.000 0.451 428 A N 1.566 124.218 122.820 -0.279 0.000 2.260 428 A HA 0.067 4.387 4.320 -0.000 0.000 0.208 428 A C 0.131 177.619 177.584 -0.159 0.000 1.588 428 A CA 1.040 52.853 52.037 -0.374 0.000 0.600 428 A CB -0.570 17.707 19.000 -1.206 0.000 1.142 428 A HN 0.393 nan 8.150 nan 0.000 0.494 429 W N -1.691 119.349 121.300 -0.434 0.000 3.256 429 W HA 0.627 5.287 4.660 -0.000 0.000 0.324 429 W C -1.418 175.081 176.519 -0.034 0.000 1.196 429 W CA -1.209 56.017 57.345 -0.198 0.000 1.206 429 W CB 0.411 29.740 29.460 -0.219 0.000 1.385 429 W HN 0.294 nan 8.180 nan 0.000 0.522 430 L N 4.661 125.983 121.223 0.165 0.000 2.483 430 L HA 0.174 4.514 4.340 -0.000 0.000 0.276 430 L C 0.604 177.691 176.870 0.361 0.000 1.213 430 L CA 0.517 55.461 54.840 0.173 0.000 0.843 430 L CB 0.082 42.229 42.059 0.145 0.000 1.107 430 L HN 0.827 nan 8.230 nan 0.000 0.487 431 H N 3.828 123.018 119.070 0.199 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 -0.782 55.395 56.048 0.214 0.000 1.147 431 H CB 1.412 31.288 29.762 0.190 0.000 1.805 431 H HN 0.497 nan 8.280 nan 0.000 0.553 432 R N 2.161 122.280 120.500 -0.634 0.000 3.079 432 R HA -0.141 4.199 4.340 -0.000 0.000 0.254 432 R C -0.064 176.128 176.300 -0.180 0.000 0.900 432 R CA 0.268 56.053 56.100 -0.525 0.000 0.641 432 R CB -0.786 29.086 30.300 -0.713 0.000 1.307 432 R HN 0.684 nan 8.270 nan 0.000 0.477 433 Q N -0.077 119.660 119.800 -0.105 0.000 2.282 433 Q HA 0.061 4.401 4.340 -0.000 0.000 0.206 433 Q C 0.608 176.587 176.000 -0.035 0.000 0.878 433 Q CA 0.576 56.372 55.803 -0.012 0.000 0.944 433 Q CB 0.384 29.137 28.738 0.025 0.000 1.100 433 Q HN 0.564 nan 8.270 nan 0.000 0.509 434 N N 0.628 119.276 118.700 -0.085 0.000 2.398 434 N HA -0.049 4.691 4.740 -0.000 0.000 0.188 434 N C -0.029 175.436 175.510 -0.074 0.000 1.122 434 N CA -0.070 52.936 53.050 -0.074 0.000 0.866 434 N CB 0.224 38.668 38.487 -0.071 0.000 0.970 434 N HN -0.021 nan 8.380 nan 0.000 0.462 435 E N 2.265 122.394 120.200 -0.119 0.000 2.905 435 E HA -0.120 4.230 4.350 -0.000 0.000 0.240 435 E C -0.564 175.931 176.600 -0.175 0.000 0.990 435 E CA 0.561 56.822 56.400 -0.232 0.000 0.954 435 E CB -0.140 29.284 29.700 -0.460 0.000 0.908 435 E HN 0.236 nan 8.360 nan 0.000 0.532 436 E N 5.821 125.958 120.200 -0.105 0.000 2.259 436 E HA 0.216 4.566 4.350 -0.000 0.000 0.281 436 E C -1.974 174.638 176.600 0.019 0.000 1.027 436 E CA -1.901 54.502 56.400 0.005 0.000 0.838 436 E CB 0.866 30.593 29.700 0.044 0.000 1.066 436 E HN 0.442 nan 8.360 nan 0.000 0.401 437 P HA 0.113 nan 4.420 nan 0.000 0.281 437 P C -0.777 176.586 177.300 0.105 0.000 1.249 437 P CA -0.410 62.764 63.100 0.123 0.000 0.810 437 P CB 1.108 32.782 31.700 -0.043 0.000 1.008 438 V N 3.027 122.983 119.914 0.071 0.000 2.347 438 V HA 0.302 4.422 4.120 -0.000 0.000 0.280 438 V C 0.054 176.239 176.094 0.152 0.000 1.021 438 V CA -0.279 62.132 62.300 0.184 0.000 0.847 438 V CB 0.007 31.916 31.823 0.144 0.000 0.990 438 V HN 0.349 nan 8.190 nan 0.000 0.444 439 F N 1.898 122.001 119.950 0.255 0.000 2.440 439 F HA 0.550 5.077 4.527 -0.000 0.000 0.328 439 F C 1.012 177.001 175.800 0.316 0.000 1.070 439 F CA -0.655 57.515 58.000 0.284 0.000 1.011 439 F CB 1.583 40.710 39.000 0.211 0.000 1.226 439 F HN 0.507 nan 8.300 nan 0.000 0.491 440 S N 1.687 117.687 115.700 0.501 0.000 2.545 440 S HA 0.186 4.656 4.470 -0.000 0.000 0.275 440 S C 1.003 175.816 174.600 0.355 0.000 1.299 440 S CA -0.919 57.572 58.200 0.485 0.000 1.048 440 S CB 1.164 64.621 63.200 0.427 0.000 0.938 440 S HN 0.524 nan 8.310 nan 0.000 0.496 441 K N 1.899 122.466 120.400 0.278 0.000 2.227 441 K HA -0.209 4.111 4.320 -0.000 0.000 0.208 441 K C 1.125 177.824 176.600 0.165 0.000 1.045 441 K CA 2.033 58.433 56.287 0.188 0.000 0.931 441 K CB -0.638 31.939 32.500 0.129 0.000 0.721 441 K HN 0.959 nan 8.250 nan 0.000 0.469 442 D N -0.891 119.614 120.400 0.175 0.000 2.370 442 D HA 0.050 4.690 4.640 -0.000 0.000 0.230 442 D C 0.994 177.393 176.300 0.164 0.000 1.143 442 D CA 0.625 54.711 54.000 0.143 0.000 0.834 442 D CB -0.281 40.593 40.800 0.123 0.000 0.944 442 D HN 0.225 nan 8.370 nan 0.000 0.504 443 G N 1.266 110.195 108.800 0.214 0.000 2.200 443 G HA2 -0.422 3.538 3.960 -0.000 0.000 0.268 443 G HA3 -0.422 3.538 3.960 -0.000 0.000 0.268 443 G C 0.680 175.769 174.900 0.314 0.000 0.986 443 G CA 0.822 46.072 45.100 0.250 0.000 0.677 443 G HN 0.548 nan 8.290 nan 0.000 0.532 444 R N 0.944 121.597 120.500 0.254 0.000 2.244 444 R HA 0.311 4.651 4.340 -0.000 0.000 0.111 444 R C 1.643 178.060 176.300 0.195 0.000 0.601 444 R CA 0.304 56.517 56.100 0.189 0.000 1.800 444 R CB -0.098 30.280 30.300 0.129 0.000 0.620 444 R HN 0.475 nan 8.270 nan 0.000 0.671 445 K N 0.191 120.611 120.400 0.033 0.000 2.552 445 K HA -0.075 4.245 4.320 -0.000 0.000 0.276 445 K C -0.718 175.783 176.600 -0.164 0.000 0.960 445 K CA 0.529 56.701 56.287 -0.191 0.000 0.961 445 K CB -0.007 32.317 32.500 -0.294 0.000 0.902 445 K HN 0.353 nan 8.250 nan 0.000 0.515 446 F N -1.655 118.037 119.950 -0.430 0.000 2.643 446 F HA 0.628 5.155 4.527 -0.000 0.000 0.314 446 F C -1.656 173.754 175.800 -0.651 0.000 1.096 446 F CA -1.851 55.822 58.000 -0.545 0.000 0.953 446 F CB 0.912 39.295 39.000 -1.029 0.000 1.345 446 F HN 0.274 nan 8.300 nan 0.000 0.468 447 F N 2.696 122.596 119.950 -0.083 0.000 2.402 447 F HA 0.594 5.121 4.527 -0.000 0.000 0.355 447 F C -0.525 175.342 175.800 0.112 0.000 1.123 447 F CA -0.794 57.156 58.000 -0.084 0.000 1.021 447 F CB 1.352 40.216 39.000 -0.226 0.000 1.160 447 F HN 0.537 nan 8.300 nan 0.000 0.451 448 F N 3.871 123.881 119.950 0.100 0.000 2.656 448 F HA 0.781 5.308 4.527 -0.000 0.000 0.394 448 F C -0.757 175.058 175.800 0.025 0.000 1.168 448 F CA -1.487 56.555 58.000 0.069 0.000 1.135 448 F CB 1.386 40.451 39.000 0.109 0.000 1.480 448 F HN 0.292 nan 8.300 nan 0.000 0.500 449 I N 2.554 122.972 120.570 -0.254 0.000 2.702 449 I HA 0.396 4.566 4.170 -0.000 0.000 0.287 449 I C -1.674 174.423 176.117 -0.033 0.000 1.342 449 I CA -0.323 60.895 61.300 -0.136 0.000 1.063 449 I CB 1.382 39.269 38.000 -0.188 0.000 1.331 449 I HN 0.820 nan 8.210 nan 0.000 0.427 450 R N 5.509 126.064 120.500 0.091 0.000 2.844 450 R HA 0.809 5.149 4.340 -0.000 0.000 0.264 450 R C -1.448 174.715 176.300 -0.229 0.000 1.077 450 R CA -0.853 55.303 56.100 0.093 0.000 0.953 450 R CB 1.420 31.858 30.300 0.231 0.000 1.272 450 R HN 0.573 nan 8.270 nan 0.000 0.447 451 A N 1.653 124.164 122.820 -0.515 0.000 2.404 451 A HA 0.488 4.808 4.320 -0.000 0.000 0.273 451 A C 0.358 177.787 177.584 -0.259 0.000 1.144 451 A CA -0.693 50.957 52.037 -0.646 0.000 0.806 451 A CB -0.400 18.147 19.000 -0.756 0.000 1.080 451 A HN 0.595 nan 8.150 nan 0.000 0.509 452 I N 0.911 121.381 120.570 -0.167 0.000 2.447 452 I HA 0.491 4.661 4.170 -0.000 0.000 0.287 452 I C -2.374 173.714 176.117 -0.048 0.000 1.023 452 I CA -2.517 58.732 61.300 -0.084 0.000 1.083 452 I CB 2.049 40.008 38.000 -0.068 0.000 1.245 452 I HN 0.317 nan 8.210 nan 0.000 0.434 453 P HA -0.313 nan 4.420 nan 0.000 0.233 453 P C 0.188 177.495 177.300 0.011 0.000 1.141 453 P CA 1.844 64.931 63.100 -0.023 0.000 0.951 453 P CB -0.146 31.534 31.700 -0.034 0.000 0.778 454 Q N -2.317 117.470 119.800 -0.021 0.000 2.451 454 Q HA -0.243 4.097 4.340 -0.000 0.000 0.305 454 Q C 1.210 177.185 176.000 -0.043 0.000 1.345 454 Q CA 1.342 57.114 55.803 -0.051 0.000 0.854 454 Q CB -2.244 26.475 28.738 -0.032 0.000 1.162 454 Q HN 0.510 nan 8.270 nan 0.000 0.440 455 G N -1.227 107.550 108.800 -0.038 0.000 2.677 455 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.321 455 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.321 455 G C 0.367 175.261 174.900 -0.010 0.000 1.181 455 G CA 0.520 45.603 45.100 -0.029 0.000 0.965 455 G HN 1.250 nan 8.290 nan 0.000 0.548 456 G N -1.217 107.580 108.800 -0.004 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 0.154 175.079 174.900 0.041 0.000 1.198 456 G CA 0.255 45.361 45.100 0.010 0.000 0.959 456 G HN 1.372 nan 8.290 nan 0.000 0.482 457 R N -0.035 120.495 120.500 0.049 0.000 3.078 457 R HA -0.103 4.236 4.340 -0.000 0.000 0.264 457 R C 0.805 177.212 176.300 0.178 0.000 1.049 457 R CA 0.501 56.656 56.100 0.090 0.000 0.689 457 R CB -1.874 28.489 30.300 0.106 0.000 1.286 457 R HN 2.519 nan 8.270 nan 0.000 0.390 458 G N 0.833 109.686 108.800 0.089 0.000 2.752 458 G HA2 -0.358 3.602 3.960 -0.000 0.000 0.234 458 G HA3 -0.358 3.602 3.960 -0.000 0.000 0.234 458 G C -0.306 174.650 174.900 0.093 0.000 1.367 458 G CA 0.270 45.390 45.100 0.033 0.000 0.879 458 G HN 0.488 nan 8.290 nan 0.000 0.563 459 K N -1.328 119.047 120.400 -0.041 0.000 2.281 459 K HA 0.842 5.162 4.320 -0.000 0.000 0.242 459 K C -1.281 175.265 176.600 -0.089 0.000 0.971 459 K CA -0.917 55.378 56.287 0.014 0.000 0.834 459 K CB 2.040 34.464 32.500 -0.127 0.000 1.181 459 K HN 0.347 nan 8.250 nan 0.000 0.435 460 F N -0.065 119.743 119.950 -0.236 0.000 2.611 460 F HA 0.341 4.868 4.527 -0.000 0.000 0.324 460 F C -0.665 174.857 175.800 -0.464 0.000 1.061 460 F CA -1.164 56.662 58.000 -0.290 0.000 0.954 460 F CB 1.160 40.008 39.000 -0.253 0.000 1.301 460 F HN 0.356 nan 8.300 nan 0.000 0.482 461 Y N 2.402 122.553 120.300 -0.249 0.000 2.436 461 Y HA 0.357 4.907 4.550 -0.000 0.000 0.343 461 Y C 0.352 175.899 175.900 -0.588 0.000 1.008 461 Y CA 0.200 58.124 58.100 -0.293 0.000 1.241 461 Y CB -0.028 38.310 38.460 -0.203 0.000 1.153 461 Y HN 0.344 nan 8.280 nan 0.000 0.521 462 H N 2.431 121.430 119.070 -0.117 0.000 2.949 462 H HA 0.457 5.013 4.556 -0.000 0.000 0.356 462 H C -0.358 174.854 175.328 -0.193 0.000 1.212 462 H CA -1.063 54.845 56.048 -0.233 0.000 1.136 462 H CB 1.931 31.494 29.762 -0.332 0.000 1.869 462 H HN 0.476 nan 8.280 nan 0.000 0.556 463 I N 1.145 121.646 120.570 -0.115 0.000 2.696 463 I HA 0.090 4.260 4.170 -0.000 0.000 0.284 463 I C 0.399 176.445 176.117 -0.119 0.000 1.129 463 I CA 0.680 61.897 61.300 -0.140 0.000 1.410 463 I CB 0.606 38.461 38.000 -0.242 0.000 1.399 463 I HN 0.339 nan 8.210 nan 0.000 0.579 464 T N 4.543 119.050 114.554 -0.078 0.000 2.903 464 T HA 0.559 4.909 4.350 -0.000 0.000 0.299 464 T C -0.668 173.869 174.700 -0.272 0.000 1.093 464 T CA -0.473 61.532 62.100 -0.158 0.000 1.002 464 T CB 2.292 71.102 68.868 -0.095 0.000 1.127 464 T HN 0.246 nan 8.240 nan 0.000 0.488 465 V N 1.585 121.238 119.914 -0.435 0.000 2.769 465 V HA 0.878 4.998 4.120 -0.000 0.000 0.312 465 V C -0.366 175.322 176.094 -0.677 0.000 1.061 465 V CA -0.707 61.168 62.300 -0.709 0.000 0.931 465 V CB 2.058 33.422 31.823 -0.764 0.000 1.010 465 V HN 0.965 nan 8.190 nan 0.000 0.433 466 S N 1.018 116.153 115.700 -0.942 0.000 2.537 466 S HA 0.555 5.025 4.470 -0.000 0.000 0.270 466 S C -0.305 173.759 174.600 -0.894 0.000 1.142 466 S CA -0.687 56.982 58.200 -0.886 0.000 0.870 466 S CB 2.083 64.664 63.200 -1.033 0.000 1.112 466 S HN 1.079 nan 8.310 nan 0.000 0.466 467 S N 0.832 116.223 115.700 -0.516 0.000 2.600 467 S HA 0.306 4.776 4.470 -0.000 0.000 0.265 467 S C 1.377 175.842 174.600 -0.226 0.000 1.325 467 S CA -0.002 58.008 58.200 -0.318 0.000 1.002 467 S CB 1.149 64.243 63.200 -0.176 0.000 0.921 467 S HN 0.683 nan 8.310 nan 0.000 0.554 468 S N 0.659 116.342 115.700 -0.027 0.000 2.382 468 S HA -0.118 4.352 4.470 -0.000 0.000 0.228 468 S C 0.944 175.635 174.600 0.150 0.000 1.027 468 S CA 1.120 59.427 58.200 0.179 0.000 0.991 468 S CB -0.529 62.791 63.200 0.201 0.000 0.823 468 S HN 0.789 nan 8.310 nan 0.000 0.469 469 Q N 1.531 121.366 119.800 0.059 0.000 2.842 469 Q HA 0.319 4.659 4.340 -0.000 0.000 0.323 469 Q C -2.673 173.331 176.000 0.007 0.000 1.111 469 Q CA -2.032 53.797 55.803 0.045 0.000 1.047 469 Q CB 1.206 29.964 28.738 0.032 0.000 1.280 469 Q HN 0.334 nan 8.270 nan 0.000 0.475 470 P HA -0.086 nan 4.420 nan 0.000 0.261 470 P C -0.735 176.556 177.300 -0.015 0.000 1.203 470 P CA 0.350 63.433 63.100 -0.029 0.000 0.767 470 P CB 0.406 32.097 31.700 -0.015 0.000 0.785 471 N N 1.848 120.532 118.700 -0.027 0.000 2.499 471 N HA 0.008 4.748 4.740 -0.000 0.000 0.281 471 N C 1.479 176.975 175.510 -0.023 0.000 1.098 471 N CA -0.003 53.034 53.050 -0.022 0.000 0.979 471 N CB 0.854 39.326 38.487 -0.024 0.000 1.121 471 N HN 0.354 nan 8.380 nan 0.000 0.466 472 S N 1.926 117.613 115.700 -0.021 0.000 2.465 472 S HA -0.342 4.128 4.470 -0.000 0.000 0.263 472 S C 1.928 176.513 174.600 -0.024 0.000 1.135 472 S CA 2.130 60.316 58.200 -0.023 0.000 1.118 472 S CB -0.846 62.339 63.200 -0.025 0.000 0.994 472 S HN 0.732 nan 8.310 nan 0.000 0.455 473 S N 3.526 119.211 115.700 -0.026 0.000 2.534 473 S HA -0.081 4.388 4.470 -0.000 0.000 0.217 473 S C 0.892 175.475 174.600 -0.027 0.000 1.097 473 S CA 0.889 59.073 58.200 -0.027 0.000 1.288 473 S CB -0.889 62.294 63.200 -0.028 0.000 1.109 473 S HN 0.700 nan 8.310 nan 0.000 0.398 474 N N 1.702 120.382 118.700 -0.033 0.000 2.619 474 N HA 0.500 5.240 4.740 -0.000 0.000 0.294 474 N C -1.563 173.918 175.510 -0.049 0.000 1.279 474 N CA -0.581 52.447 53.050 -0.036 0.000 0.867 474 N CB 0.646 39.109 38.487 -0.040 0.000 1.329 474 N HN 0.419 nan 8.380 nan 0.000 0.557 475 D N -0.457 119.907 120.400 -0.060 0.000 2.383 475 D HA 0.214 4.854 4.640 -0.000 0.000 0.248 475 D C 0.267 176.487 176.300 -0.133 0.000 1.170 475 D CA -0.150 53.789 54.000 -0.102 0.000 0.977 475 D CB 0.617 41.340 40.800 -0.129 0.000 1.120 475 D HN 0.434 nan 8.370 nan 0.000 0.481 476 N N -0.255 118.331 118.700 -0.190 0.000 2.322 476 N HA 0.126 4.866 4.740 -0.000 0.000 0.194 476 N C -0.213 175.163 175.510 -0.224 0.000 1.126 476 N CA -0.216 52.711 53.050 -0.204 0.000 0.845 476 N CB -0.343 37.983 38.487 -0.268 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 -0.221 0.000 3.248 477 I HA -0.168 4.002 4.170 -0.000 0.000 0.344 477 I C -0.206 175.801 176.117 -0.183 0.000 1.190 477 I CA 0.572 61.743 61.300 -0.215 0.000 1.489 477 I CB 0.145 38.047 38.000 -0.163 0.000 1.285 477 I HN 0.089 nan 8.210 nan 0.000 0.516 478 Q N 4.375 124.052 119.800 -0.206 0.000 3.155 478 Q HA 0.151 4.491 4.340 -0.000 0.000 0.186 478 Q C -1.025 174.819 176.000 -0.261 0.000 0.949 478 Q CA -0.264 55.425 55.803 -0.190 0.000 1.252 478 Q CB 1.551 30.201 28.738 -0.148 0.000 1.715 478 Q HN 1.037 nan 8.270 nan 0.000 0.608 479 S N 2.226 117.772 115.700 -0.256 0.000 2.601 479 S HA 0.636 5.106 4.470 -0.000 0.000 0.271 479 S C 1.268 175.582 174.600 -0.477 0.000 1.305 479 S CA -0.656 57.362 58.200 -0.303 0.000 1.022 479 S CB 1.085 64.140 63.200 -0.240 0.000 0.940 479 S HN 0.630 nan 8.310 nan 0.000 0.525 480 I N 0.713 120.976 120.570 -0.512 0.000 2.927 480 I HA 0.041 4.211 4.170 -0.000 0.000 0.268 480 I C 1.286 177.159 176.117 -0.406 0.000 1.153 480 I CA 0.625 61.483 61.300 -0.737 0.000 1.459 480 I CB 0.008 37.704 38.000 -0.506 0.000 1.149 480 I HN 0.862 nan 8.210 nan 0.000 0.443 481 T N -1.222 113.152 114.554 -0.300 0.000 2.940 481 T HA 0.708 5.058 4.350 -0.000 0.000 0.288 481 T C -0.317 174.004 174.700 -0.631 0.000 1.045 481 T CA -0.529 61.439 62.100 -0.221 0.000 1.018 481 T CB 2.248 71.116 68.868 -0.001 0.000 1.151 481 T HN 0.190 nan 8.240 nan 0.000 0.529 482 S N -1.000 114.220 115.700 -0.799 0.000 2.578 482 S HA 0.870 5.340 4.470 -0.000 0.000 0.272 482 S C -0.181 173.977 174.600 -0.735 0.000 1.145 482 S CA -0.303 57.161 58.200 -1.226 0.000 0.835 482 S CB 1.086 63.967 63.200 -0.531 0.000 1.104 482 S HN 2.411 nan 8.310 nan 0.000 0.458 483 G N 0.535 108.935 108.800 -0.668 0.000 2.359 483 G HA2 0.289 4.249 3.960 -0.000 0.000 0.303 483 G HA3 0.289 4.249 3.960 -0.000 0.000 0.303 483 G C -2.163 172.360 174.900 -0.629 0.000 1.293 483 G CA -0.622 44.300 45.100 -0.297 0.000 0.964 483 G HN 0.705 nan 8.290 nan 0.000 0.531 484 D N 1.863 122.000 120.400 -0.438 0.000 2.943 484 D HA 0.363 5.003 4.640 -0.000 0.000 0.249 484 D C 0.043 176.154 176.300 -0.315 0.000 1.231 484 D CA 0.441 53.816 54.000 -1.042 0.000 0.979 484 D CB -0.359 40.144 40.800 -0.495 0.000 1.053 484 D HN 0.537 nan 8.370 nan 0.000 0.504 485 W N -0.241 120.922 121.300 -0.228 0.000 3.153 485 W HA 0.384 5.044 4.660 -0.000 0.000 0.316 485 W C -1.229 175.435 176.519 0.242 0.000 1.255 485 W CA -0.754 56.699 57.345 0.179 0.000 1.192 485 W CB 0.547 30.056 29.460 0.083 0.000 1.400 485 W HN -0.286 nan 8.180 nan 0.000 0.568 486 D N 1.318 121.956 120.400 0.397 0.000 2.198 486 D HA 0.460 5.100 4.640 -0.000 0.000 0.247 486 D C -0.319 176.113 176.300 0.219 0.000 1.010 486 D CA -0.579 53.504 54.000 0.137 0.000 0.880 486 D CB 3.259 44.212 40.800 0.255 0.000 1.209 486 D HN 0.071 nan 8.370 nan 0.000 0.451 487 V N 1.348 121.277 119.914 0.026 0.000 2.546 487 V HA 0.215 4.334 4.120 -0.000 0.000 0.284 487 V C 1.466 177.659 176.094 0.163 0.000 1.050 487 V CA -0.111 62.302 62.300 0.187 0.000 0.981 487 V CB 1.330 33.165 31.823 0.019 0.000 0.990 487 V HN 0.795 nan 8.190 nan 0.000 0.474 488 T N 0.051 114.736 114.554 0.218 0.000 3.010 488 T HA 0.315 4.665 4.350 -0.000 0.000 0.257 488 T C 0.243 175.026 174.700 0.138 0.000 1.020 488 T CA -0.202 62.006 62.100 0.179 0.000 0.938 488 T CB 0.134 69.130 68.868 0.214 0.000 1.049 488 T HN 0.494 nan 8.240 nan 0.000 0.522 489 K N 0.917 121.419 120.400 0.170 0.000 2.560 489 K HA 0.392 4.712 4.320 -0.000 0.000 0.276 489 K C -1.867 174.854 176.600 0.203 0.000 1.025 489 K CA -0.480 55.896 56.287 0.149 0.000 0.974 489 K CB 0.559 33.152 32.500 0.154 0.000 1.347 489 K HN 0.230 nan 8.250 nan 0.000 0.447 490 I N 6.873 127.523 120.570 0.134 0.000 2.416 490 I HA 0.115 4.285 4.170 -0.000 0.000 0.288 490 I C 0.832 177.051 176.117 0.169 0.000 1.051 490 I CA -0.271 61.118 61.300 0.150 0.000 1.375 490 I CB 0.741 38.771 38.000 0.050 0.000 1.407 490 I HN 0.664 nan 8.210 nan 0.000 0.516 491 L N 6.013 127.360 121.223 0.208 0.000 2.388 491 L HA 0.430 4.770 4.340 -0.000 0.000 0.209 491 L C 0.712 177.666 176.870 0.139 0.000 1.061 491 L CA 0.224 55.188 54.840 0.207 0.000 0.834 491 L CB 0.071 42.309 42.059 0.299 0.000 1.029 491 L HN 0.746 nan 8.230 nan 0.000 0.473 492 A N -1.283 121.581 122.820 0.074 0.000 2.597 492 A HA 0.534 4.854 4.320 -0.000 0.000 0.292 492 A C -2.331 175.305 177.584 0.087 0.000 1.057 492 A CA -0.332 51.727 52.037 0.037 0.000 0.674 492 A CB 1.040 19.950 19.000 -0.150 0.000 1.278 492 A HN 0.024 nan 8.150 nan 0.000 0.416 493 Y N 1.259 121.511 120.300 -0.080 0.000 2.329 493 Y HA 0.577 5.127 4.550 -0.000 0.000 0.328 493 Y C -0.862 174.999 175.900 -0.065 0.000 0.992 493 Y CA -1.282 56.719 58.100 -0.164 0.000 1.151 493 Y CB 1.686 40.000 38.460 -0.244 0.000 1.150 493 Y HN 0.697 nan 8.280 nan 0.000 0.450 494 D N 4.778 124.911 120.400 -0.446 0.000 2.494 494 D HA 0.105 4.745 4.640 -0.000 0.000 0.217 494 D C 0.962 176.841 176.300 -0.703 0.000 1.153 494 D CA 0.225 53.979 54.000 -0.411 0.000 0.954 494 D CB 0.557 41.285 40.800 -0.120 0.000 1.034 494 D HN 0.845 nan 8.370 nan 0.000 0.518 495 E N 1.990 121.663 120.200 -0.878 0.000 2.219 495 E HA -0.160 4.190 4.350 -0.000 0.000 0.198 495 E C 0.402 176.860 176.600 -0.237 0.000 0.998 495 E CA 0.749 56.764 56.400 -0.640 0.000 0.818 495 E CB 0.287 29.831 29.700 -0.262 0.000 0.741 495 E HN 0.233 nan 8.360 nan 0.000 0.477 496 K N 0.842 121.133 120.400 -0.181 0.000 2.686 496 K HA 0.090 4.410 4.320 -0.000 0.000 0.244 496 K C 0.314 176.875 176.600 -0.066 0.000 1.262 496 K CA 0.651 56.888 56.287 -0.084 0.000 1.199 496 K CB 0.093 32.555 32.500 -0.064 0.000 1.428 496 K HN 0.321 nan 8.250 nan 0.000 0.247 497 G N 1.573 110.342 108.800 -0.051 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 -1.401 173.507 174.900 0.012 0.000 1.173 497 G CA -0.509 44.581 45.100 -0.016 0.000 1.278 497 G HN 0.382 nan 8.290 nan 0.000 0.479 498 N N 0.440 119.144 118.700 0.007 0.000 2.751 498 N HA 0.460 5.200 4.740 -0.000 0.000 0.234 498 N C -1.256 174.252 175.510 -0.003 0.000 1.403 498 N CA -0.580 52.505 53.050 0.058 0.000 0.747 498 N CB 1.385 39.924 38.487 0.086 0.000 1.326 498 N HN 0.507 nan 8.380 nan 0.000 0.532 499 K N 1.169 121.521 120.400 -0.080 0.000 2.482 499 K HA 0.500 4.819 4.320 -0.000 0.000 0.251 499 K C -1.207 175.209 176.600 -0.306 0.000 0.936 499 K CA -0.487 55.641 56.287 -0.265 0.000 0.791 499 K CB 2.626 34.949 32.500 -0.296 0.000 1.213 499 K HN 0.389 nan 8.250 nan 0.000 0.428 500 I N 4.115 124.434 120.570 -0.417 0.000 2.531 500 I HA 0.266 4.436 4.170 -0.000 0.000 0.283 500 I C -1.411 174.589 176.117 -0.195 0.000 1.083 500 I CA -0.653 60.492 61.300 -0.258 0.000 1.071 500 I CB 0.852 38.704 38.000 -0.247 0.000 1.210 500 I HN 0.505 nan 8.210 nan 0.000 0.450 501 Y N 8.090 128.379 120.300 -0.018 0.000 2.320 501 Y HA 0.624 5.174 4.550 -0.000 0.000 0.324 501 Y C 0.222 176.272 175.900 0.250 0.000 1.190 501 Y CA -0.393 57.693 58.100 -0.024 0.000 1.215 501 Y CB 1.046 39.190 38.460 -0.527 0.000 1.221 501 Y HN 0.446 nan 8.280 nan 0.000 0.486 502 F N -0.438 119.609 119.950 0.162 0.000 2.858 502 F HA 0.661 5.187 4.527 -0.000 0.000 0.319 502 F C -2.446 173.471 175.800 0.195 0.000 1.166 502 F CA -1.578 56.511 58.000 0.149 0.000 0.899 502 F CB 0.857 39.914 39.000 0.095 0.000 1.332 502 F HN 0.076 nan 8.300 nan 0.000 0.461 503 L N 1.799 123.180 121.223 0.263 0.000 2.334 503 L HA 0.807 5.147 4.340 -0.000 0.000 0.272 503 L C -0.285 176.737 176.870 0.254 0.000 1.020 503 L CA -0.480 54.465 54.840 0.174 0.000 0.812 503 L CB 1.421 43.566 42.059 0.143 0.000 1.264 503 L HN 0.936 nan 8.230 nan 0.000 0.439 504 S N -0.713 115.083 115.700 0.161 0.000 2.656 504 S HA 0.447 4.917 4.470 -0.000 0.000 0.273 504 S C 0.341 175.005 174.600 0.107 0.000 1.168 504 S CA -0.301 58.006 58.200 0.177 0.000 0.817 504 S CB 2.083 65.303 63.200 0.033 0.000 1.146 504 S HN 0.705 nan 8.310 nan 0.000 0.475 505 T N -2.267 112.407 114.554 0.199 0.000 3.134 505 T HA 0.268 4.618 4.350 -0.000 0.000 0.260 505 T C 0.936 175.701 174.700 0.108 0.000 1.027 505 T CA 0.004 62.185 62.100 0.136 0.000 0.913 505 T CB -0.066 68.930 68.868 0.215 0.000 1.046 505 T HN 0.602 nan 8.240 nan 0.000 0.553 506 E N 1.341 121.487 120.200 -0.089 0.000 2.171 506 E HA -0.246 4.104 4.350 -0.000 0.000 0.197 506 E C 1.666 178.123 176.600 -0.238 0.000 0.997 506 E CA 1.425 57.496 56.400 -0.549 0.000 0.810 506 E CB -0.043 28.828 29.700 -1.381 0.000 0.738 506 E HN 0.572 nan 8.360 nan 0.000 0.467 507 D N -0.315 120.054 120.400 -0.051 0.000 2.087 507 D HA -0.079 4.561 4.640 -0.000 0.000 0.210 507 D C -0.086 176.202 176.300 -0.020 0.000 0.973 507 D CA 0.868 54.860 54.000 -0.013 0.000 0.882 507 D CB 0.176 40.989 40.800 0.021 0.000 1.019 507 D HN 0.045 nan 8.370 nan 0.000 0.450 508 L N 0.247 121.462 121.223 -0.014 0.000 2.422 508 L HA 0.308 4.648 4.340 -0.000 0.000 0.264 508 L C -1.770 175.101 176.870 0.002 0.000 0.984 508 L CA -1.833 53.001 54.840 -0.010 0.000 0.819 508 L CB 2.000 44.023 42.059 -0.059 0.000 1.330 508 L HN -0.089 nan 8.230 nan 0.000 0.410 509 P HA -0.168 nan 4.420 nan 0.000 0.221 509 P C 0.532 177.820 177.300 -0.021 0.000 1.145 509 P CA 1.286 64.430 63.100 0.073 0.000 0.795 509 P CB 0.165 31.963 31.700 0.162 0.000 0.775 510 R N -0.761 119.718 120.500 -0.036 0.000 2.319 510 R HA 0.198 4.537 4.340 -0.000 0.000 0.204 510 R C 1.145 177.410 176.300 -0.059 0.000 0.954 510 R CA 0.113 56.188 56.100 -0.042 0.000 1.066 510 R CB -0.128 30.095 30.300 -0.128 0.000 0.991 510 R HN 0.240 nan 8.270 nan 0.000 0.486 511 R N 0.058 120.471 120.500 -0.146 0.000 2.930 511 R HA 0.495 4.835 4.340 -0.000 0.000 0.257 511 R C -0.834 175.228 176.300 -0.397 0.000 1.107 511 R CA -1.193 54.769 56.100 -0.230 0.000 0.999 511 R CB 1.418 31.648 30.300 -0.116 0.000 1.209 511 R HN -0.203 nan 8.270 nan 0.000 0.486 512 R N 1.299 121.528 120.500 -0.451 0.000 2.507 512 R HA 0.246 4.586 4.340 -0.000 0.000 0.298 512 R C -1.265 175.052 176.300 0.028 0.000 1.087 512 R CA -0.493 55.410 56.100 -0.328 0.000 0.917 512 R CB 1.350 31.255 30.300 -0.659 0.000 1.173 512 R HN 0.399 nan 8.270 nan 0.000 0.472 513 Q N 1.958 121.834 119.800 0.126 0.000 2.306 513 Q HA 0.384 4.724 4.340 -0.000 0.000 0.265 513 Q C -0.747 175.284 176.000 0.051 0.000 1.022 513 Q CA -1.287 54.580 55.803 0.106 0.000 0.853 513 Q CB 2.750 31.482 28.738 -0.011 0.000 1.327 513 Q HN 0.360 nan 8.270 nan 0.000 0.449 514 L N 2.206 123.300 121.223 -0.216 0.000 2.290 514 L HA 0.351 4.691 4.340 -0.000 0.000 0.284 514 L C -1.393 175.247 176.870 -0.383 0.000 1.078 514 L CA 0.174 54.878 54.840 -0.227 0.000 0.815 514 L CB 0.031 41.876 42.059 -0.358 0.000 1.162 514 L HN 0.439 nan 8.230 nan 0.000 0.435 515 Y N 2.027 122.003 120.300 -0.540 0.000 2.805 515 Y HA 0.824 5.374 4.550 -0.000 0.000 0.321 515 Y C 0.157 175.737 175.900 -0.534 0.000 1.203 515 Y CA -0.407 57.318 58.100 -0.625 0.000 1.165 515 Y CB 1.736 39.607 38.460 -0.982 0.000 1.371 515 Y HN 0.651 nan 8.280 nan 0.000 0.564 516 S N -0.225 115.372 115.700 -0.172 0.000 2.543 516 S HA 0.913 5.383 4.470 -0.000 0.000 0.274 516 S C -1.490 173.169 174.600 0.099 0.000 1.149 516 S CA -0.498 57.611 58.200 -0.152 0.000 0.866 516 S CB 1.439 64.445 63.200 -0.323 0.000 1.111 516 S HN 1.190 nan 8.310 nan 0.000 0.457 517 A N 1.694 124.585 122.820 0.118 0.000 2.566 517 A HA 0.832 5.152 4.320 -0.000 0.000 0.292 517 A C -1.092 176.547 177.584 0.091 0.000 1.112 517 A CA -1.168 50.974 52.037 0.176 0.000 0.707 517 A CB 1.078 20.239 19.000 0.269 0.000 1.302 517 A HN 0.881 nan 8.150 nan 0.000 0.409 518 N N 0.350 119.151 118.700 0.168 0.000 2.434 518 N HA 0.347 5.087 4.740 -0.000 0.000 0.272 518 N C 0.688 176.396 175.510 0.329 0.000 1.040 518 N CA 0.041 53.187 53.050 0.160 0.000 0.956 518 N CB 1.560 40.102 38.487 0.092 0.000 1.108 518 N HN 0.664 nan 8.380 nan 0.000 0.481 519 T N 1.173 115.900 114.554 0.288 0.000 3.007 519 T HA -0.016 4.334 4.350 -0.000 0.000 0.270 519 T C 0.622 175.592 174.700 0.450 0.000 1.107 519 T CA 0.686 63.049 62.100 0.438 0.000 1.118 519 T CB 0.012 69.197 68.868 0.529 0.000 0.889 519 T HN 0.235 nan 8.240 nan 0.000 0.506 520 V N -0.893 119.160 119.914 0.233 0.000 3.284 520 V HA 0.667 4.787 4.120 -0.000 0.000 0.309 520 V C 2.144 178.048 176.094 -0.318 0.000 1.190 520 V CA -0.525 61.798 62.300 0.039 0.000 1.038 520 V CB 0.466 32.301 31.823 0.021 0.000 1.198 520 V HN 0.275 nan 8.190 nan 0.000 0.465 521 G N 1.276 109.883 108.800 -0.322 0.000 3.282 521 G HA2 -0.407 3.553 3.960 -0.000 0.000 0.358 521 G HA3 -0.407 3.553 3.960 -0.000 0.000 0.358 521 G C 0.983 175.477 174.900 -0.677 0.000 1.920 521 G CA 2.033 46.881 45.100 -0.419 0.000 2.137 521 G HN 0.782 nan 8.290 nan 0.000 0.942 522 N N -0.534 117.838 118.700 -0.547 0.000 2.333 522 N HA 0.116 4.856 4.740 -0.000 0.000 0.183 522 N C 0.650 175.949 175.510 -0.352 0.000 1.030 522 N CA 1.089 53.895 53.050 -0.406 0.000 0.867 522 N CB 0.147 38.542 38.487 -0.153 0.000 1.027 522 N HN 0.540 nan 8.380 nan 0.000 0.435 523 F N 0.000 119.966 119.950 0.027 0.000 2.900 523 F HA -0.159 4.368 4.527 -0.000 0.000 0.297 523 F C -0.528 175.305 175.800 0.055 0.000 0.822 523 F CA -0.764 57.259 58.000 0.039 0.000 1.393 523 F CB -2.926 36.090 39.000 0.027 0.000 1.485 523 F HN -0.088 nan 8.300 nan 0.000 0.495 524 N N 1.473 120.273 118.700 0.166 0.000 2.475 524 N HA 0.340 5.080 4.740 -0.000 0.000 0.267 524 N C 0.331 175.928 175.510 0.146 0.000 1.169 524 N CA -0.128 52.998 53.050 0.126 0.000 0.947 524 N CB 0.531 39.056 38.487 0.064 0.000 1.061 524 N HN 0.198 nan 8.380 nan 0.000 0.466 525 R N 1.894 122.493 120.500 0.165 0.000 2.221 525 R HA 0.185 4.525 4.340 -0.000 0.000 0.327 525 R C -0.358 176.020 176.300 0.131 0.000 1.033 525 R CA -0.432 55.788 56.100 0.200 0.000 0.887 525 R CB 0.987 31.448 30.300 0.268 0.000 1.057 525 R HN 0.537 nan 8.270 nan 0.000 0.455 526 Q N 2.732 122.582 119.800 0.084 0.000 2.322 526 Q HA 0.188 4.528 4.340 -0.000 0.000 0.265 526 Q C -1.160 174.779 176.000 -0.102 0.000 0.985 526 Q CA -0.551 55.253 55.803 0.001 0.000 0.849 526 Q CB 1.830 30.566 28.738 -0.002 0.000 1.274 526 Q HN 0.677 nan 8.270 nan 0.000 0.449 527 C N 6.640 125.795 119.300 -0.241 0.000 2.192 527 C HA 0.257 4.717 4.460 -0.000 0.000 0.337 527 C C 1.362 176.095 174.990 -0.428 0.000 1.103 527 C CA -0.623 58.018 59.018 -0.628 0.000 1.581 527 C CB -1.473 25.784 27.740 -0.805 0.000 2.070 527 C HN 1.037 nan 8.230 nan 0.000 0.485 528 L N 4.714 125.716 121.223 -0.369 0.000 2.042 528 L HA -0.118 4.222 4.340 -0.000 0.000 0.210 528 L C 2.738 179.434 176.870 -0.291 0.000 1.076 528 L CA 2.560 57.255 54.840 -0.241 0.000 0.749 528 L CB -0.894 41.042 42.059 -0.204 0.000 0.893 528 L HN 0.831 nan 8.230 nan 0.000 0.432 529 S N -2.164 113.267 115.700 -0.448 0.000 2.311 529 S HA -0.113 4.357 4.470 -0.000 0.000 0.209 529 S C 1.054 175.475 174.600 -0.298 0.000 1.029 529 S CA 0.101 57.996 58.200 -0.508 0.000 0.968 529 S CB -1.077 61.600 63.200 -0.872 0.000 0.946 529 S HN 0.353 nan 8.310 nan 0.000 0.450 530 C N 3.482 122.624 119.300 -0.263 0.000 0.888 530 C HA -0.080 4.380 4.460 -0.000 0.000 0.510 530 C C 0.551 175.502 174.990 -0.065 0.000 1.142 530 C CA 0.986 59.919 59.018 -0.142 0.000 2.298 530 C CB -2.432 25.185 27.740 -0.205 0.000 3.387 530 C HN 0.820 nan 8.230 nan 0.000 0.232 531 D N -0.906 119.501 120.400 0.012 0.000 3.077 531 D HA -0.233 4.407 4.640 -0.000 0.000 0.217 531 D C 0.190 176.508 176.300 0.030 0.000 1.162 531 D CA 1.516 55.532 54.000 0.027 0.000 0.943 531 D CB -0.750 40.052 40.800 0.002 0.000 1.122 531 D HN 0.807 nan 8.370 nan 0.000 0.413 532 L N 0.432 121.665 121.223 0.017 0.000 2.479 532 L HA 0.240 4.580 4.340 -0.000 0.000 0.249 532 L C 1.271 178.198 176.870 0.095 0.000 1.178 532 L CA -0.354 54.504 54.840 0.029 0.000 0.811 532 L CB 1.208 43.254 42.059 -0.022 0.000 1.187 532 L HN 0.075 nan 8.230 nan 0.000 0.480 533 V N 0.582 120.561 119.914 0.109 0.000 5.674 533 V HA -0.213 3.907 4.120 -0.000 0.000 0.156 533 V C 0.504 176.682 176.094 0.139 0.000 0.726 533 V CA 0.412 62.788 62.300 0.127 0.000 0.518 533 V CB -1.922 30.006 31.823 0.176 0.000 0.181 533 V HN 0.842 nan 8.190 nan 0.000 0.381 534 E N 2.637 122.887 120.200 0.084 0.000 2.470 534 E HA 0.081 4.431 4.350 -0.000 0.000 0.258 534 E C 1.384 178.005 176.600 0.035 0.000 1.295 534 E CA 0.813 57.252 56.400 0.064 0.000 1.032 534 E CB 0.073 29.795 29.700 0.036 0.000 0.980 534 E HN 0.920 nan 8.360 nan 0.000 0.500 535 N N -1.624 117.085 118.700 0.015 0.000 2.979 535 N HA -0.182 4.558 4.740 -0.000 0.000 0.234 535 N C -1.044 174.444 175.510 -0.036 0.000 0.938 535 N CA 1.095 54.138 53.050 -0.011 0.000 0.961 535 N CB -1.451 37.021 38.487 -0.025 0.000 1.089 535 N HN 0.497 nan 8.380 nan 0.000 0.576 536 c N -1.370 117.204 118.600 -0.043 0.000 2.989 536 c HA 0.768 5.338 4.570 -0.000 0.000 0.397 536 c C 1.156 175.095 174.090 -0.251 0.000 1.022 536 c CA 0.420 56.657 56.329 -0.155 0.000 1.232 536 c CB 1.043 43.424 42.510 -0.215 0.000 1.638 536 c HN 0.427 nan 8.230 nan 0.000 0.534 537 T N -0.533 113.859 114.554 -0.270 0.000 3.043 537 T HA 0.253 4.603 4.350 -0.000 0.000 0.272 537 T C -0.252 174.270 174.700 -0.296 0.000 0.990 537 T CA 0.150 62.128 62.100 -0.203 0.000 0.897 537 T CB -0.193 68.646 68.868 -0.049 0.000 1.111 537 T HN 0.817 nan 8.240 nan 0.000 0.529 538 Y N 1.123 121.089 120.300 -0.556 0.000 2.342 538 Y HA 0.629 5.179 4.550 -0.000 0.000 0.334 538 Y C -1.138 174.401 175.900 -0.601 0.000 1.067 538 Y CA -1.623 56.264 58.100 -0.355 0.000 1.128 538 Y CB 0.774 39.110 38.460 -0.207 0.000 1.200 538 Y HN 0.099 nan 8.280 nan 0.000 0.464 539 F N 1.741 121.697 119.950 0.009 0.000 2.626 539 F HA 0.590 5.117 4.527 -0.000 0.000 0.311 539 F C -0.409 175.422 175.800 0.052 0.000 1.088 539 F CA -0.794 57.229 58.000 0.038 0.000 0.949 539 F CB 2.201 41.175 39.000 -0.043 0.000 1.322 539 F HN 0.291 nan 8.300 nan 0.000 0.461 540 S N 0.863 116.754 115.700 0.319 0.000 2.564 540 S HA 0.968 5.438 4.470 -0.000 0.000 0.274 540 S C -1.497 173.194 174.600 0.152 0.000 1.124 540 S CA -0.030 58.293 58.200 0.205 0.000 0.869 540 S CB 1.674 64.988 63.200 0.190 0.000 1.105 540 S HN 1.325 nan 8.310 nan 0.000 0.472 541 A N 1.573 124.463 122.820 0.118 0.000 2.586 541 A HA 0.844 5.164 4.320 -0.000 0.000 0.291 541 A C -1.024 176.639 177.584 0.132 0.000 1.062 541 A CA -0.246 51.829 52.037 0.063 0.000 0.666 541 A CB 0.989 19.928 19.000 -0.102 0.000 1.281 541 A HN 1.829 nan 8.150 nan 0.000 0.421 542 S N -0.326 115.458 115.700 0.140 0.000 2.536 542 S HA 0.849 5.319 4.470 -0.000 0.000 0.271 542 S C -1.198 173.575 174.600 0.289 0.000 1.134 542 S CA -0.567 57.829 58.200 0.326 0.000 0.897 542 S CB 0.920 64.367 63.200 0.412 0.000 1.094 542 S HN 0.841 nan 8.310 nan 0.000 0.473 543 F N 2.071 122.086 119.950 0.108 0.000 2.440 543 F HA 0.667 5.194 4.527 -0.000 0.000 0.328 543 F C 1.368 176.723 175.800 -0.741 0.000 1.070 543 F CA -0.613 57.266 58.000 -0.203 0.000 1.011 543 F CB 1.641 40.485 39.000 -0.260 0.000 1.226 543 F HN 0.847 nan 8.300 nan 0.000 0.491 544 S N -0.619 114.375 115.700 -1.176 0.000 2.587 544 S HA 0.018 4.487 4.470 -0.000 0.000 0.260 544 S C 0.434 174.877 174.600 -0.261 0.000 1.353 544 S CA -0.437 56.991 58.200 -1.286 0.000 0.995 544 S CB -0.063 62.454 63.200 -1.138 0.000 0.912 544 S HN 0.741 nan 8.310 nan 0.000 0.568 545 H N 0.082 119.065 119.070 -0.144 0.000 2.898 545 H HA 0.177 4.733 4.556 -0.000 0.000 0.291 545 H C 0.090 175.386 175.328 -0.052 0.000 1.101 545 H CA -0.129 55.906 56.048 -0.021 0.000 1.210 545 H CB -0.169 29.636 29.762 0.071 0.000 1.278 545 H HN 0.500 nan 8.280 nan 0.000 0.640 546 S N 0.092 115.781 115.700 -0.018 0.000 2.933 546 S HA 0.002 4.472 4.470 -0.000 0.000 0.236 546 S C 0.742 175.263 174.600 -0.132 0.000 0.836 546 S CA -0.233 57.926 58.200 -0.068 0.000 1.298 546 S CB 0.449 63.606 63.200 -0.071 0.000 1.243 546 S HN 0.366 nan 8.310 nan 0.000 0.607 547 M N -0.557 118.962 119.600 -0.136 0.000 2.852 547 M HA -0.271 4.209 4.480 -0.000 0.000 0.165 547 M C 0.493 176.716 176.300 -0.128 0.000 0.671 547 M CA 1.429 56.654 55.300 -0.125 0.000 0.627 547 M CB -2.545 29.962 32.600 -0.156 0.000 2.280 547 M HN 0.246 nan 8.290 nan 0.000 0.278 548 D N 0.679 120.882 120.400 -0.330 0.000 2.127 548 D HA -0.040 4.600 4.640 -0.000 0.000 0.190 548 D C 0.845 176.765 176.300 -0.633 0.000 1.000 548 D CA 1.646 55.268 54.000 -0.629 0.000 0.839 548 D CB -0.121 40.008 40.800 -1.118 0.000 0.955 548 D HN 0.504 nan 8.370 nan 0.000 0.446 549 F N -1.144 118.743 119.950 -0.105 0.000 2.613 549 F HA 0.539 5.066 4.527 -0.000 0.000 0.342 549 F C -0.251 175.447 175.800 -0.171 0.000 1.066 549 F CA -1.498 56.440 58.000 -0.104 0.000 1.002 549 F CB 1.106 40.131 39.000 0.042 0.000 1.319 549 F HN -0.182 nan 8.300 nan 0.000 0.495 550 F N -0.673 119.325 119.950 0.079 0.000 2.635 550 F HA 0.668 5.195 4.527 -0.000 0.000 0.314 550 F C -2.173 173.639 175.800 0.020 0.000 1.119 550 F CA -1.508 56.369 58.000 -0.206 0.000 1.000 550 F CB 0.478 38.667 39.000 -1.353 0.000 1.278 550 F HN 0.318 nan 8.300 nan 0.000 0.446 551 L N 4.780 126.207 121.223 0.340 0.000 2.349 551 L HA 0.476 4.816 4.340 -0.000 0.000 0.275 551 L C -0.588 176.314 176.870 0.053 0.000 1.115 551 L CA -0.738 54.089 54.840 -0.022 0.000 0.820 551 L CB 1.384 43.317 42.059 -0.209 0.000 1.135 551 L HN 0.707 nan 8.230 nan 0.000 0.445 552 L N 4.849 126.050 121.223 -0.038 0.000 2.406 552 L HA 0.486 4.826 4.340 -0.000 0.000 0.272 552 L C -1.112 175.788 176.870 0.050 0.000 0.980 552 L CA -0.496 54.355 54.840 0.019 0.000 0.831 552 L CB 1.617 43.641 42.059 -0.060 0.000 1.253 552 L HN 0.670 nan 8.230 nan 0.000 0.406 553 K N 3.751 124.235 120.400 0.140 0.000 2.270 553 K HA 0.461 4.781 4.320 -0.000 0.000 0.255 553 K C 0.422 177.159 176.600 0.227 0.000 0.936 553 K CA -0.850 55.520 56.287 0.138 0.000 0.809 553 K CB 2.014 34.560 32.500 0.077 0.000 1.131 553 K HN 0.466 nan 8.250 nan 0.000 0.427 554 c N 1.575 120.234 118.600 0.098 0.000 5.534 554 c HA -0.085 4.485 4.570 -0.000 0.000 0.294 554 c C 1.058 175.091 174.090 -0.095 0.000 1.238 554 c CA 0.961 57.222 56.329 -0.113 0.000 1.883 554 c CB -0.994 41.443 42.510 -0.123 0.000 2.037 554 c HN 1.159 nan 8.230 nan 0.000 0.410 555 E N -1.542 118.629 120.200 -0.048 0.000 4.289 555 E HA -0.101 4.249 4.350 -0.000 0.000 0.375 555 E C 0.158 176.733 176.600 -0.042 0.000 0.624 555 E CA 0.440 56.828 56.400 -0.021 0.000 1.443 555 E CB -1.644 28.056 29.700 -0.001 0.000 1.807 555 E HN 0.962 nan 8.360 nan 0.000 0.378 556 G N -1.102 107.665 108.800 -0.056 0.000 2.353 556 G HA2 0.204 4.164 3.960 -0.000 0.000 0.308 556 G HA3 0.204 4.164 3.960 -0.000 0.000 0.308 556 G C -3.078 171.785 174.900 -0.061 0.000 1.418 556 G CA -0.457 44.642 45.100 -0.001 0.000 0.966 556 G HN -0.150 nan 8.290 nan 0.000 0.638 557 P HA 0.159 nan 4.420 nan 0.000 0.224 557 P C 1.442 178.803 177.300 0.103 0.000 1.157 557 P CA 1.396 64.545 63.100 0.081 0.000 0.799 557 P CB 0.266 32.018 31.700 0.088 0.000 0.809 558 G N -0.115 108.674 108.800 -0.018 0.000 2.599 558 G HA2 0.261 4.221 3.960 -0.000 0.000 0.264 558 G HA3 0.261 4.221 3.960 -0.000 0.000 0.264 558 G C -0.400 174.283 174.900 -0.361 0.000 1.200 558 G CA -0.395 44.635 45.100 -0.118 0.000 0.896 558 G HN -0.109 nan 8.290 nan 0.000 0.536 559 V N 2.416 121.945 119.914 -0.642 0.000 2.726 559 V HA -0.026 4.094 4.120 -0.000 0.000 0.304 559 V C -1.438 174.361 176.094 -0.491 0.000 1.115 559 V CA -0.305 61.413 62.300 -0.972 0.000 1.264 559 V CB 0.478 31.903 31.823 -0.663 0.000 0.867 559 V HN 0.550 nan 8.190 nan 0.000 0.498 560 P HA 0.252 nan 4.420 nan 0.000 0.268 560 P C -0.324 176.904 177.300 -0.120 0.000 1.208 560 P CA 0.195 63.202 63.100 -0.157 0.000 0.777 560 P CB 0.400 32.073 31.700 -0.045 0.000 0.875 561 M N -1.140 118.419 119.600 -0.067 0.000 2.790 561 M HA 0.580 5.060 4.480 -0.000 0.000 0.272 561 M C -1.974 174.303 176.300 -0.038 0.000 1.168 561 M CA -1.040 54.226 55.300 -0.056 0.000 0.829 561 M CB 1.532 34.092 32.600 -0.066 0.000 1.675 561 M HN -0.133 nan 8.290 nan 0.000 0.505 562 V N 0.975 120.843 119.914 -0.077 0.000 2.540 562 V HA 0.808 4.928 4.120 -0.000 0.000 0.302 562 V C -0.438 175.531 176.094 -0.208 0.000 1.035 562 V CA -0.188 62.035 62.300 -0.128 0.000 0.873 562 V CB 1.916 33.635 31.823 -0.173 0.000 0.992 562 V HN 1.025 nan 8.190 nan 0.000 0.428 563 T N 2.979 117.408 114.554 -0.209 0.000 2.907 563 T HA 0.758 5.108 4.350 -0.000 0.000 0.290 563 T C -0.826 173.642 174.700 -0.387 0.000 1.066 563 T CA -0.637 61.299 62.100 -0.275 0.000 1.012 563 T CB 2.217 71.083 68.868 -0.003 0.000 1.184 563 T HN 0.359 nan 8.240 nan 0.000 0.522 564 V N 1.801 121.376 119.914 -0.566 0.000 2.588 564 V HA 0.515 4.635 4.120 -0.000 0.000 0.304 564 V C -0.733 175.126 176.094 -0.391 0.000 1.042 564 V CA -0.757 61.204 62.300 -0.565 0.000 0.877 564 V CB 1.493 32.670 31.823 -1.077 0.000 0.996 564 V HN 0.868 nan 8.190 nan 0.000 0.425 565 H N 3.061 121.705 119.070 -0.711 0.000 2.894 565 H HA 0.453 5.008 4.556 -0.000 0.000 0.368 565 H C -0.844 174.225 175.328 -0.431 0.000 1.181 565 H CA -0.990 54.661 56.048 -0.662 0.000 1.146 565 H CB 2.588 31.738 29.762 -1.020 0.000 1.839 565 H HN 0.698 nan 8.280 nan 0.000 0.557 566 N N 0.751 119.473 118.700 0.036 0.000 2.501 566 N HA 0.002 4.742 4.740 -0.000 0.000 0.245 566 N C 0.707 176.343 175.510 0.210 0.000 0.974 566 N CA -0.217 53.008 53.050 0.291 0.000 0.941 566 N CB 1.556 40.290 38.487 0.412 0.000 1.122 566 N HN 0.694 nan 8.380 nan 0.000 0.507 567 T N 2.045 116.767 114.554 0.280 0.000 2.654 567 T HA -0.393 3.957 4.350 -0.000 0.000 0.251 567 T C 1.541 176.435 174.700 0.323 0.000 1.163 567 T CA 3.686 66.048 62.100 0.436 0.000 1.136 567 T CB -0.779 68.255 68.868 0.276 0.000 0.839 567 T HN 0.814 nan 8.240 nan 0.000 0.466 568 T N -0.182 114.490 114.554 0.197 0.000 2.542 568 T HA -0.134 4.215 4.350 -0.000 0.000 0.257 568 T C 1.787 176.578 174.700 0.152 0.000 1.111 568 T CA 1.689 63.882 62.100 0.156 0.000 1.203 568 T CB -1.134 67.794 68.868 0.100 0.000 0.866 568 T HN 0.462 nan 8.240 nan 0.000 0.399 569 D N 1.588 122.067 120.400 0.131 0.000 2.157 569 D HA -0.213 4.427 4.640 -0.000 0.000 0.191 569 D C 1.072 177.448 176.300 0.127 0.000 1.004 569 D CA 1.846 55.912 54.000 0.110 0.000 0.854 569 D CB -0.212 40.646 40.800 0.096 0.000 0.936 569 D HN 0.671 nan 8.370 nan 0.000 0.446 570 K N -1.137 119.373 120.400 0.183 0.000 3.509 570 K HA -0.198 4.122 4.320 -0.000 0.000 0.302 570 K C 0.271 177.003 176.600 0.220 0.000 1.355 570 K CA 0.681 57.120 56.287 0.253 0.000 0.953 570 K CB -1.294 31.320 32.500 0.188 0.000 1.321 570 K HN 0.239 nan 8.250 nan 0.000 0.461 571 K N 2.837 123.270 120.400 0.054 0.000 2.297 571 K HA 0.103 4.423 4.320 -0.000 0.000 0.286 571 K C -0.141 176.223 176.600 -0.394 0.000 1.053 571 K CA -0.335 55.897 56.287 -0.092 0.000 0.940 571 K CB 0.751 33.227 32.500 -0.040 0.000 1.019 571 K HN 0.066 nan 8.250 nan 0.000 0.475 572 K N 6.153 126.183 120.400 -0.618 0.000 2.250 572 K HA -0.041 4.279 4.320 -0.000 0.000 0.277 572 K C 0.864 177.217 176.600 -0.411 0.000 1.091 572 K CA 0.136 55.891 56.287 -0.887 0.000 1.046 572 K CB 0.180 32.349 32.500 -0.553 0.000 0.982 572 K HN 0.728 nan 8.250 nan 0.000 0.429 573 M N 3.894 123.293 119.600 -0.335 0.000 2.358 573 M HA -0.060 4.420 4.480 -0.000 0.000 0.264 573 M C -0.211 176.239 176.300 0.251 0.000 1.064 573 M CA 1.071 56.372 55.300 0.002 0.000 1.093 573 M CB -0.497 32.178 32.600 0.125 0.000 1.401 573 M HN 0.625 nan 8.290 nan 0.000 0.440 574 F N -3.819 115.969 119.950 -0.270 0.000 3.086 574 F HA 0.297 4.824 4.527 -0.000 0.000 0.335 574 F C -2.280 173.364 175.800 -0.261 0.000 1.082 574 F CA -2.208 55.654 58.000 -0.230 0.000 0.853 574 F CB 0.173 39.039 39.000 -0.224 0.000 1.676 574 F HN -0.283 nan 8.300 nan 0.000 0.442 575 D N 1.885 122.178 120.400 -0.178 0.000 2.168 575 D HA 0.434 5.074 4.640 -0.000 0.000 0.246 575 D C 0.387 176.531 176.300 -0.258 0.000 1.050 575 D CA -0.262 53.580 54.000 -0.265 0.000 0.857 575 D CB 2.504 43.242 40.800 -0.104 0.000 1.169 575 D HN 0.624 nan 8.370 nan 0.000 0.453 576 L N 1.617 122.610 121.223 -0.383 0.000 2.286 576 L HA 0.169 4.509 4.340 -0.000 0.000 0.203 576 L C 0.079 176.874 176.870 -0.126 0.000 1.068 576 L CA 1.351 55.997 54.840 -0.322 0.000 0.811 576 L CB 0.171 41.941 42.059 -0.483 0.000 0.989 576 L HN 0.360 nan 8.230 nan 0.000 0.467 577 E N -2.401 117.735 120.200 -0.106 0.000 2.311 577 E HA 0.240 4.590 4.350 -0.000 0.000 0.281 577 E C -0.117 176.457 176.600 -0.043 0.000 0.905 577 E CA 0.408 56.794 56.400 -0.024 0.000 0.778 577 E CB 1.518 31.223 29.700 0.008 0.000 1.240 577 E HN -0.005 nan 8.360 nan 0.000 0.410 578 T N 2.494 117.034 114.554 -0.023 0.000 2.969 578 T HA 0.168 4.518 4.350 -0.000 0.000 0.250 578 T C -0.145 174.520 174.700 -0.057 0.000 1.021 578 T CA 0.682 62.757 62.100 -0.043 0.000 1.003 578 T CB -0.315 68.535 68.868 -0.029 0.000 1.040 578 T HN 0.596 nan 8.240 nan 0.000 0.492 579 N N 2.217 120.890 118.700 -0.045 0.000 2.696 579 N HA -0.169 4.571 4.740 -0.000 0.000 0.256 579 N C 0.305 175.783 175.510 -0.053 0.000 1.031 579 N CA 0.765 53.764 53.050 -0.086 0.000 0.730 579 N CB -0.681 37.723 38.487 -0.138 0.000 0.894 579 N HN 0.543 nan 8.380 nan 0.000 0.544 580 E N 0.343 120.553 120.200 0.016 0.000 2.106 580 E HA -0.129 4.221 4.350 -0.000 0.000 0.192 580 E C 1.363 177.935 176.600 -0.046 0.000 0.984 580 E CA 1.692 58.075 56.400 -0.029 0.000 0.806 580 E CB -0.012 29.665 29.700 -0.039 0.000 0.750 580 E HN 0.585 nan 8.360 nan 0.000 0.458 581 H N -0.568 118.419 119.070 -0.137 0.000 2.267 581 H HA -0.180 4.376 4.556 -0.000 0.000 0.291 581 H C 2.104 177.307 175.328 -0.208 0.000 1.094 581 H CA 2.139 58.099 56.048 -0.146 0.000 1.227 581 H CB -0.807 28.865 29.762 -0.150 0.000 1.351 581 H HN 0.062 nan 8.280 nan 0.000 0.483 582 V N 0.934 120.802 119.914 -0.078 0.000 2.287 582 V HA -0.272 3.847 4.120 -0.000 0.000 0.248 582 V C 2.148 178.104 176.094 -0.229 0.000 1.053 582 V CA 2.094 64.271 62.300 -0.204 0.000 1.027 582 V CB -0.450 31.280 31.823 -0.155 0.000 0.646 582 V HN 0.444 nan 8.190 nan 0.000 0.447 583 K N 0.170 120.464 120.400 -0.178 0.000 2.097 583 K HA -0.226 4.094 4.320 -0.000 0.000 0.206 583 K C 2.223 178.736 176.600 -0.144 0.000 1.049 583 K CA 1.518 57.708 56.287 -0.162 0.000 0.933 583 K CB -0.203 32.216 32.500 -0.134 0.000 0.717 583 K HN 0.456 nan 8.250 nan 0.000 0.442 584 K N 1.287 121.599 120.400 -0.147 0.000 1.967 584 K HA -0.130 4.190 4.320 -0.000 0.000 0.212 584 K C 2.276 178.780 176.600 -0.160 0.000 1.044 584 K CA 1.325 57.533 56.287 -0.132 0.000 0.942 584 K CB -0.269 32.152 32.500 -0.133 0.000 0.726 584 K HN 0.063 nan 8.250 nan 0.000 0.440 585 A N 2.021 124.691 122.820 -0.251 0.000 1.940 585 A HA -0.245 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 53.844 52.037 -0.382 0.000 0.647 585 A CB -0.870 17.632 19.000 -0.830 0.000 0.821 585 A HN 0.645 nan 8.150 nan 0.000 0.457 586 I N -0.729 119.660 120.570 -0.301 0.000 2.252 586 I HA -0.227 3.943 4.170 -0.000 0.000 0.245 586 I C 1.465 177.578 176.117 -0.006 0.000 1.102 586 I CA 1.784 63.041 61.300 -0.072 0.000 1.385 586 I CB -0.263 37.730 38.000 -0.012 0.000 1.064 586 I HN 0.243 nan 8.210 nan 0.000 0.414 587 N N 1.384 120.058 118.700 -0.044 0.000 2.573 587 N HA -0.120 4.620 4.740 -0.000 0.000 0.187 587 N C 0.626 176.134 175.510 -0.003 0.000 1.107 587 N CA 0.900 53.938 53.050 -0.020 0.000 0.918 587 N CB -0.301 38.164 38.487 -0.037 0.000 0.966 587 N HN 0.495 nan 8.380 nan 0.000 0.448 588 D N -0.634 119.767 120.400 0.002 0.000 2.349 588 D HA 0.078 4.718 4.640 -0.000 0.000 0.214 588 D C 0.420 176.756 176.300 0.060 0.000 1.063 588 D CA 0.243 54.258 54.000 0.025 0.000 0.847 588 D CB 0.640 41.455 40.800 0.025 0.000 0.933 588 D HN 0.064 nan 8.370 nan 0.000 0.513 589 R N 0.307 120.854 120.500 0.078 0.000 2.803 589 R HA 0.319 4.658 4.340 -0.000 0.000 0.276 589 R C -0.352 175.989 176.300 0.069 0.000 0.978 589 R CA -0.547 55.612 56.100 0.099 0.000 0.939 589 R CB 1.318 31.728 30.300 0.183 0.000 1.179 589 R HN -0.148 nan 8.270 nan 0.000 0.472 590 Q N 3.392 123.223 119.800 0.053 0.000 3.159 590 Q HA 0.134 4.474 4.340 -0.000 0.000 0.280 590 Q C -0.317 175.699 176.000 0.028 0.000 1.403 590 Q CA -0.030 55.794 55.803 0.035 0.000 0.957 590 Q CB 0.155 28.909 28.738 0.027 0.000 1.729 590 Q HN 0.199 nan 8.270 nan 0.000 0.551 591 M N 3.139 122.762 119.600 0.039 0.000 2.248 591 M HA 0.067 4.547 4.480 -0.000 0.000 0.343 591 M C -1.842 174.452 176.300 -0.011 0.000 1.243 591 M CA -1.738 53.579 55.300 0.028 0.000 1.025 591 M CB -0.684 31.951 32.600 0.057 0.000 1.759 591 M HN 0.234 nan 8.290 nan 0.000 0.452 592 P HA 0.074 nan 4.420 nan 0.000 0.269 592 P C -0.777 176.467 177.300 -0.094 0.000 1.217 592 P CA -0.093 62.954 63.100 -0.088 0.000 0.783 592 P CB 0.645 32.267 31.700 -0.129 0.000 0.898 593 K N 1.711 122.031 120.400 -0.133 0.000 2.234 593 K HA 0.334 4.654 4.320 -0.000 0.000 0.277 593 K C -0.530 175.953 176.600 -0.196 0.000 1.038 593 K CA -0.743 55.461 56.287 -0.139 0.000 0.888 593 K CB 0.604 33.018 32.500 -0.143 0.000 1.091 593 K HN 0.160 nan 8.250 nan 0.000 0.467 594 V N 3.365 123.179 119.914 -0.166 0.000 2.953 594 V HA 0.286 4.406 4.120 -0.000 0.000 0.304 594 V C -0.182 175.743 176.094 -0.282 0.000 1.073 594 V CA -0.208 61.943 62.300 -0.248 0.000 1.064 594 V CB 1.224 32.936 31.823 -0.185 0.000 1.047 594 V HN 0.879 nan 8.190 nan 0.000 0.478 595 E N 1.134 121.058 120.200 -0.460 0.000 2.506 595 E HA 0.345 4.695 4.350 -0.000 0.000 0.308 595 E C -2.075 174.246 176.600 -0.464 0.000 0.931 595 E CA -0.531 55.664 56.400 -0.342 0.000 0.800 595 E CB 1.790 31.347 29.700 -0.239 0.000 1.292 595 E HN 0.632 nan 8.360 nan 0.000 0.401 596 Y N 1.158 121.446 120.300 -0.020 0.000 2.342 596 Y HA 0.486 5.036 4.550 -0.000 0.000 0.334 596 Y C 0.535 176.440 175.900 0.009 0.000 1.067 596 Y CA -0.719 57.381 58.100 0.000 0.000 1.128 596 Y CB 1.551 40.019 38.460 0.013 0.000 1.200 596 Y HN 0.326 nan 8.280 nan 0.000 0.464 597 R N 2.287 122.870 120.500 0.139 0.000 2.687 597 R HA 0.238 4.578 4.340 -0.000 0.000 0.264 597 R C -1.683 174.675 176.300 0.096 0.000 1.715 597 R CA -0.610 55.546 56.100 0.095 0.000 1.633 597 R CB -0.142 30.189 30.300 0.051 0.000 1.353 597 R HN 0.738 nan 8.270 nan 0.000 0.653 598 D N 2.438 122.905 120.400 0.111 0.000 2.581 598 D HA -0.104 4.536 4.640 -0.000 0.000 0.238 598 D C 0.398 176.749 176.300 0.084 0.000 1.145 598 D CA 0.676 54.737 54.000 0.102 0.000 0.866 598 D CB 0.668 41.527 40.800 0.098 0.000 1.151 598 D HN 0.193 nan 8.370 nan 0.000 0.500 599 I N 1.193 121.813 120.570 0.083 0.000 3.573 599 I HA 0.524 4.694 4.170 -0.000 0.000 0.285 599 I C -0.464 175.704 176.117 0.084 0.000 1.203 599 I CA -0.937 60.407 61.300 0.073 0.000 1.033 599 I CB 1.524 39.562 38.000 0.065 0.000 1.348 599 I HN 0.684 nan 8.210 nan 0.000 0.525 600 E N 1.618 121.867 120.200 0.081 0.000 2.400 600 E HA 0.458 4.808 4.350 -0.000 0.000 0.285 600 E C -1.881 174.777 176.600 0.096 0.000 1.005 600 E CA -0.644 55.815 56.400 0.099 0.000 0.816 600 E CB 1.581 31.337 29.700 0.093 0.000 1.220 600 E HN 0.379 nan 8.360 nan 0.000 0.426 601 I N 2.141 122.789 120.570 0.130 0.000 2.478 601 I HA 0.329 4.499 4.170 -0.000 0.000 0.287 601 I C -0.661 175.554 176.117 0.163 0.000 1.042 601 I CA -0.456 60.919 61.300 0.126 0.000 1.067 601 I CB 1.405 39.480 38.000 0.126 0.000 1.233 601 I HN 0.720 nan 8.210 nan 0.000 0.431 602 D N 3.071 123.524 120.400 0.088 0.000 3.635 602 D HA -0.241 4.399 4.640 -0.000 0.000 0.258 602 D C 0.395 176.652 176.300 -0.071 0.000 1.899 602 D CA 1.591 55.603 54.000 0.021 0.000 1.163 602 D CB -0.026 40.810 40.800 0.061 0.000 0.848 602 D HN 0.852 nan 8.370 nan 0.000 1.044 603 D N 0.024 120.258 120.400 -0.277 0.000 2.368 603 D HA -0.098 4.542 4.640 -0.000 0.000 0.250 603 D C -0.136 175.943 176.300 -0.368 0.000 1.142 603 D CA 0.728 54.529 54.000 -0.332 0.000 0.925 603 D CB -0.624 39.944 40.800 -0.387 0.000 0.896 603 D HN 0.431 nan 8.370 nan 0.000 0.525 604 Y N 0.760 121.088 120.300 0.046 0.000 2.429 604 Y HA 0.263 4.813 4.550 -0.000 0.000 0.342 604 Y C 0.684 176.618 175.900 0.057 0.000 1.004 604 Y CA -1.478 56.654 58.100 0.053 0.000 1.075 604 Y CB 1.316 39.801 38.460 0.043 0.000 1.214 604 Y HN -0.112 nan 8.280 nan 0.000 0.455 605 N N 3.649 122.489 118.700 0.233 0.000 2.446 605 N HA 0.303 5.043 4.740 -0.000 0.000 0.265 605 N C -1.633 173.968 175.510 0.151 0.000 0.975 605 N CA -0.454 52.691 53.050 0.159 0.000 0.928 605 N CB 1.342 39.907 38.487 0.130 0.000 1.160 605 N HN 0.689 nan 8.380 nan 0.000 0.495 606 L N 2.340 123.639 121.223 0.127 0.000 2.261 606 L HA 0.406 4.746 4.340 -0.000 0.000 0.289 606 L C -2.213 174.721 176.870 0.107 0.000 1.059 606 L CA -1.930 52.974 54.840 0.107 0.000 0.816 606 L CB 0.903 43.015 42.059 0.087 0.000 1.191 606 L HN 0.233 nan 8.230 nan 0.000 0.431 607 P HA 0.181 nan 4.420 nan 0.000 0.269 607 P C -0.705 176.672 177.300 0.129 0.000 1.215 607 P CA -0.198 62.983 63.100 0.134 0.000 0.780 607 P CB 0.669 32.457 31.700 0.147 0.000 0.898 608 M N -0.138 119.544 119.600 0.137 0.000 2.356 608 M HA 0.311 4.791 4.480 -0.000 0.000 0.215 608 M C -1.048 175.284 176.300 0.053 0.000 0.978 608 M CA -0.764 54.591 55.300 0.093 0.000 0.972 608 M CB 1.479 34.118 32.600 0.065 0.000 2.529 608 M HN 0.195 nan 8.290 nan 0.000 0.447 609 Q N 2.861 122.670 119.800 0.014 0.000 2.293 609 Q HA 0.724 5.064 4.340 -0.000 0.000 0.251 609 Q C -0.877 175.005 176.000 -0.197 0.000 0.930 609 Q CA -0.761 54.915 55.803 -0.212 0.000 0.893 609 Q CB 2.093 30.601 28.738 -0.384 0.000 1.215 609 Q HN 0.830 nan 8.270 nan 0.000 0.425 610 I N 2.116 122.531 120.570 -0.260 0.000 2.465 610 I HA 0.401 4.571 4.170 -0.000 0.000 0.291 610 I C -1.818 174.131 176.117 -0.280 0.000 1.014 610 I CA -1.106 60.066 61.300 -0.213 0.000 1.093 610 I CB 1.498 39.405 38.000 -0.156 0.000 1.267 610 I HN 0.764 nan 8.210 nan 0.000 0.431 611 L N 7.356 128.426 121.223 -0.256 0.000 2.272 611 L HA 0.536 4.876 4.340 -0.000 0.000 0.289 611 L C -0.059 176.622 176.870 -0.314 0.000 1.032 611 L CA -0.658 54.018 54.840 -0.274 0.000 0.810 611 L CB 0.921 42.837 42.059 -0.238 0.000 1.205 611 L HN 0.594 nan 8.230 nan 0.000 0.422 612 K N 4.499 124.671 120.400 -0.380 0.000 2.164 612 K HA 0.324 4.643 4.320 -0.000 0.000 0.258 612 K C -1.608 174.803 176.600 -0.316 0.000 0.951 612 K CA -1.729 54.247 56.287 -0.518 0.000 0.844 612 K CB 1.774 33.754 32.500 -0.866 0.000 1.099 612 K HN 0.260 nan 8.250 nan 0.000 0.435 613 P HA -0.307 nan 4.420 nan 0.000 0.224 613 P C 0.402 177.694 177.300 -0.013 0.000 1.138 613 P CA 1.818 64.873 63.100 -0.075 0.000 0.780 613 P CB 0.015 31.733 31.700 0.031 0.000 0.755 614 A N -1.767 121.035 122.820 -0.029 0.000 4.152 614 A HA -0.216 4.104 4.320 -0.000 0.000 0.256 614 A C 1.258 178.874 177.584 0.053 0.000 0.844 614 A CA 2.105 54.145 52.037 0.006 0.000 1.324 614 A CB -2.965 16.035 19.000 -0.001 0.000 1.032 614 A HN 0.455 nan 8.150 nan 0.000 0.773 615 T N -3.394 111.216 114.554 0.093 0.000 3.331 615 T HA 0.544 4.894 4.350 -0.000 0.000 0.282 615 T C -0.109 174.682 174.700 0.151 0.000 1.010 615 T CA 0.400 62.557 62.100 0.095 0.000 0.928 615 T CB -0.462 68.453 68.868 0.080 0.000 1.154 615 T HN 1.242 nan 8.240 nan 0.000 0.516 616 F N 3.025 122.963 119.950 -0.019 0.000 2.543 616 F HA 0.448 4.975 4.527 -0.000 0.000 0.375 616 F C 0.595 176.396 175.800 0.003 0.000 1.075 616 F CA 0.341 58.317 58.000 -0.040 0.000 1.225 616 F CB 0.545 39.395 39.000 -0.250 0.000 1.099 616 F HN 0.126 nan 8.300 nan 0.000 0.561 617 T N 4.141 118.355 114.554 -0.566 0.000 2.886 617 T HA 0.160 4.510 4.350 -0.000 0.000 0.259 617 T C 0.229 174.356 174.700 -0.955 0.000 1.125 617 T CA -0.149 61.633 62.100 -0.530 0.000 0.988 617 T CB 0.591 69.331 68.868 -0.212 0.000 2.203 617 T HN 0.698 nan 8.240 nan 0.000 0.552 618 D N -1.300 118.836 120.400 -0.440 0.000 2.345 618 D HA 0.100 4.739 4.640 -0.000 0.000 0.290 618 D C 1.506 177.780 176.300 -0.044 0.000 1.107 618 D CA 0.336 54.169 54.000 -0.279 0.000 0.836 618 D CB 0.295 40.996 40.800 -0.165 0.000 1.406 618 D HN 0.384 nan 8.370 nan 0.000 0.532 619 T N 0.220 114.745 114.554 -0.048 0.000 2.639 619 T HA -0.037 4.313 4.350 -0.000 0.000 0.261 619 T C 1.341 176.096 174.700 0.092 0.000 1.053 619 T CA 1.611 63.723 62.100 0.020 0.000 1.158 619 T CB -0.835 68.021 68.868 -0.020 0.000 0.863 619 T HN 0.305 nan 8.240 nan 0.000 0.413 620 T N 1.286 115.839 114.554 -0.003 0.000 2.906 620 T HA 0.042 4.392 4.350 -0.000 0.000 0.320 620 T C -0.506 174.209 174.700 0.025 0.000 1.088 620 T CA -0.305 61.752 62.100 -0.072 0.000 1.120 620 T CB 0.075 68.754 68.868 -0.315 0.000 1.000 620 T HN 0.291 nan 8.240 nan 0.000 0.550 621 H N 1.346 120.279 119.070 -0.228 0.000 2.476 621 H HA 0.494 5.050 4.556 -0.000 0.000 0.328 621 H C -0.795 174.409 175.328 -0.206 0.000 1.073 621 H CA -0.695 55.298 56.048 -0.092 0.000 1.229 621 H CB 0.468 30.193 29.762 -0.062 0.000 1.432 621 H HN 0.634 nan 8.280 nan 0.000 0.477 622 Y N 3.369 123.724 120.300 0.091 0.000 2.496 622 Y HA 0.361 4.910 4.550 -0.000 0.000 0.331 622 Y C -2.084 173.749 175.900 -0.112 0.000 1.140 622 Y CA -2.732 55.378 58.100 0.017 0.000 1.166 622 Y CB 1.038 39.550 38.460 0.086 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 -1.068 176.055 177.300 -0.294 0.000 1.249 623 P CA -0.259 62.546 63.100 -0.491 0.000 0.806 623 P CB 1.734 32.614 31.700 -1.366 0.000 0.984 624 L N 3.979 125.096 121.223 -0.177 0.000 2.282 624 L HA 0.385 4.725 4.340 -0.000 0.000 0.288 624 L C -0.699 176.262 176.870 0.152 0.000 1.033 624 L CA -0.987 53.846 54.840 -0.012 0.000 0.807 624 L CB 1.226 43.270 42.059 -0.025 0.000 1.209 624 L HN 0.296 nan 8.230 nan 0.000 0.423 625 L N 6.773 128.071 121.223 0.124 0.000 2.324 625 L HA 0.392 4.732 4.340 -0.000 0.000 0.274 625 L C -0.831 176.070 176.870 0.052 0.000 1.012 625 L CA -0.090 54.806 54.840 0.093 0.000 0.859 625 L CB 1.304 43.367 42.059 0.007 0.000 1.224 625 L HN 0.536 nan 8.230 nan 0.000 0.429 626 L N 6.096 127.397 121.223 0.130 0.000 2.315 626 L HA 0.394 4.734 4.340 -0.000 0.000 0.283 626 L C -0.948 176.008 176.870 0.144 0.000 1.089 626 L CA -0.336 54.593 54.840 0.148 0.000 0.833 626 L CB 1.051 43.266 42.059 0.260 0.000 1.170 626 L HN 0.407 nan 8.230 nan 0.000 0.442 627 V N 6.753 126.744 119.914 0.128 0.000 2.311 627 V HA 0.230 4.350 4.120 -0.000 0.000 0.275 627 V C 0.033 176.240 176.094 0.188 0.000 1.022 627 V CA -0.369 62.061 62.300 0.217 0.000 0.830 627 V CB 1.614 33.534 31.823 0.161 0.000 1.012 627 V HN 0.563 nan 8.190 nan 0.000 0.452 628 V N 4.475 124.504 119.914 0.190 0.000 2.513 628 V HA 0.565 4.685 4.120 -0.000 0.000 0.299 628 V C 0.111 176.295 176.094 0.149 0.000 1.035 628 V CA 0.108 62.493 62.300 0.142 0.000 0.889 628 V CB 2.118 33.998 31.823 0.095 0.000 0.988 628 V HN 0.924 nan 8.190 nan 0.000 0.440 629 D N 4.411 124.911 120.400 0.165 0.000 3.013 629 D HA 0.339 4.978 4.640 -0.000 0.000 0.256 629 D C 1.324 177.771 176.300 0.246 0.000 1.573 629 D CA 1.376 55.492 54.000 0.193 0.000 1.197 629 D CB 0.255 41.169 40.800 0.190 0.000 1.041 629 D HN 1.365 nan 8.370 nan 0.000 0.304 630 G N 0.057 108.983 108.800 0.209 0.000 2.143 630 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.248 630 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.248 630 G C 0.161 175.150 174.900 0.149 0.000 0.991 630 G CA 0.686 45.914 45.100 0.213 0.000 0.689 630 G HN 0.530 nan 8.290 nan 0.000 0.522 631 T N 3.548 118.153 114.554 0.086 0.000 2.853 631 T HA 0.421 4.771 4.350 -0.000 0.000 0.298 631 T C -1.606 172.929 174.700 -0.275 0.000 0.978 631 T CA -0.062 61.910 62.100 -0.213 0.000 1.152 631 T CB 1.401 70.288 68.868 0.033 0.000 0.914 631 T HN 0.279 nan 8.240 nan 0.000 0.539 632 P HA 0.119 nan 4.420 nan 0.000 0.261 632 P C 0.990 178.175 177.300 -0.192 0.000 1.183 632 P CA 0.568 63.404 63.100 -0.440 0.000 0.761 632 P CB 0.440 31.589 31.700 -0.917 0.000 0.785 633 G N 2.385 111.109 108.800 -0.127 0.000 2.279 633 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.223 633 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.223 633 G C 0.491 175.352 174.900 -0.065 0.000 1.015 633 G CA 0.303 45.337 45.100 -0.111 0.000 0.621 633 G HN 0.820 nan 8.290 nan 0.000 0.506 634 S N -0.325 115.390 115.700 0.025 0.000 2.633 634 S HA 0.603 5.073 4.470 -0.000 0.000 0.257 634 S C 0.079 174.806 174.600 0.212 0.000 1.265 634 S CA 0.875 59.159 58.200 0.140 0.000 0.980 634 S CB 1.596 64.883 63.200 0.146 0.000 1.017 634 S HN 1.150 nan 8.310 nan 0.000 0.577 635 Q N -0.908 119.076 119.800 0.308 0.000 2.263 635 Q HA 0.415 4.755 4.340 -0.000 0.000 0.262 635 Q C -0.854 175.279 176.000 0.222 0.000 0.984 635 Q CA -0.475 55.521 55.803 0.321 0.000 0.813 635 Q CB 1.696 30.733 28.738 0.498 0.000 1.299 635 Q HN 0.709 nan 8.270 nan 0.000 0.428 636 S N 1.770 117.576 115.700 0.177 0.000 2.503 636 S HA 0.144 4.614 4.470 -0.000 0.000 0.215 636 S C 0.141 174.819 174.600 0.129 0.000 1.003 636 S CA 0.071 58.356 58.200 0.142 0.000 0.910 636 S CB 0.697 63.974 63.200 0.130 0.000 0.790 636 S HN 0.483 nan 8.310 nan 0.000 0.514 637 V N 2.497 122.504 119.914 0.155 0.000 2.294 637 V HA 0.800 4.920 4.120 -0.000 0.000 0.272 637 V C -0.124 176.088 176.094 0.197 0.000 1.027 637 V CA -0.390 62.022 62.300 0.186 0.000 0.823 637 V CB 0.219 32.165 31.823 0.204 0.000 1.030 637 V HN 0.317 nan 8.190 nan 0.000 0.457 638 A N 3.367 126.307 122.820 0.200 0.000 2.587 638 A HA 0.721 5.041 4.320 -0.000 0.000 0.293 638 A C -0.070 177.627 177.584 0.189 0.000 1.087 638 A CA -0.657 51.496 52.037 0.194 0.000 0.692 638 A CB 1.372 20.508 19.000 0.226 0.000 1.291 638 A HN 0.665 nan 8.150 nan 0.000 0.407 639 E N 0.868 121.188 120.200 0.199 0.000 2.303 639 E HA 0.075 4.425 4.350 -0.000 0.000 0.211 639 E C -0.206 176.439 176.600 0.075 0.000 1.223 639 E CA 0.095 56.595 56.400 0.168 0.000 1.344 639 E CB -0.057 29.695 29.700 0.088 0.000 1.299 639 E HN 0.388 nan 8.360 nan 0.000 0.441 640 K N 0.415 120.736 120.400 -0.131 0.000 2.107 640 K HA 0.213 4.532 4.320 -0.000 0.000 0.251 640 K C -0.382 176.183 176.600 -0.058 0.000 1.012 640 K CA -0.629 55.477 56.287 -0.301 0.000 0.920 640 K CB 0.694 32.856 32.500 -0.565 0.000 1.033 640 K HN 0.011 nan 8.250 nan 0.000 0.478 641 F N 2.282 122.140 119.950 -0.154 0.000 2.375 641 F HA 0.191 4.718 4.527 -0.000 0.000 0.362 641 F C -0.460 175.295 175.800 -0.075 0.000 1.129 641 F CA -0.077 57.870 58.000 -0.089 0.000 1.154 641 F CB 0.418 39.377 39.000 -0.069 0.000 1.205 641 F HN 0.383 nan 8.300 nan 0.000 0.513 642 E N 4.359 124.186 120.200 -0.622 0.000 2.317 642 E HA 0.604 4.954 4.350 -0.000 0.000 0.270 642 E C -1.505 174.729 176.600 -0.611 0.000 0.885 642 E CA -1.112 54.979 56.400 -0.515 0.000 0.760 642 E CB 2.848 32.386 29.700 -0.271 0.000 1.227 642 E HN 0.404 nan 8.360 nan 0.000 0.434 643 V N -0.022 119.623 119.914 -0.449 0.000 2.532 643 V HA 0.670 4.790 4.120 -0.000 0.000 0.294 643 V C -0.329 175.607 176.094 -0.263 0.000 1.036 643 V CA -0.622 61.465 62.300 -0.356 0.000 0.876 643 V CB 0.777 32.429 31.823 -0.284 0.000 1.012 643 V HN 0.739 nan 8.190 nan 0.000 0.432 644 S N 3.259 118.765 115.700 -0.322 0.000 2.911 644 S HA 0.580 5.050 4.470 -0.000 0.000 0.319 644 S C 0.389 174.724 174.600 -0.441 0.000 1.154 644 S CA -0.196 57.797 58.200 -0.345 0.000 0.857 644 S CB 1.095 64.096 63.200 -0.332 0.000 1.279 644 S HN 1.441 nan 8.310 nan 0.000 0.593 645 W N 0.990 121.866 121.300 -0.706 0.000 2.424 645 W HA 0.098 4.758 4.660 -0.000 0.000 0.264 645 W C 1.112 177.463 176.519 -0.281 0.000 1.229 645 W CA 1.442 58.502 57.345 -0.475 0.000 1.208 645 W CB -0.651 28.453 29.460 -0.595 0.000 1.127 645 W HN 0.764 nan 8.180 nan 0.000 0.588 646 E N 0.519 119.843 120.200 -1.459 0.000 2.072 646 E HA -0.161 4.189 4.350 -0.000 0.000 0.191 646 E C 2.121 178.398 176.600 -0.539 0.000 0.985 646 E CA 2.009 57.720 56.400 -1.147 0.000 0.801 646 E CB -0.548 28.481 29.700 -1.118 0.000 0.750 646 E HN 0.241 nan 8.360 nan 0.000 0.452 647 T N 1.079 115.367 114.554 -0.444 0.000 2.720 647 T HA -0.147 4.203 4.350 -0.000 0.000 0.268 647 T C 2.131 176.730 174.700 -0.168 0.000 1.037 647 T CA 1.244 63.183 62.100 -0.269 0.000 1.144 647 T CB -0.244 68.478 68.868 -0.244 0.000 0.864 647 T HN -0.020 nan 8.240 nan 0.000 0.444 648 V N 1.588 121.417 119.914 -0.143 0.000 2.343 648 V HA -0.175 3.945 4.120 -0.000 0.000 0.247 648 V C 2.607 178.759 176.094 0.097 0.000 1.051 648 V CA 1.355 63.648 62.300 -0.011 0.000 1.036 648 V CB -0.585 31.276 31.823 0.064 0.000 0.654 648 V HN 0.426 nan 8.190 nan 0.000 0.451 649 M N -0.435 119.200 119.600 0.057 0.000 2.159 649 M HA -0.116 4.364 4.480 -0.000 0.000 0.263 649 M C 2.180 178.549 176.300 0.115 0.000 1.063 649 M CA 1.636 57.026 55.300 0.151 0.000 1.110 649 M CB -0.980 31.645 32.600 0.041 0.000 1.374 649 M HN 0.314 nan 8.290 nan 0.000 0.411 650 V N -1.204 118.703 119.914 -0.011 0.000 2.302 650 V HA -0.173 3.947 4.120 -0.000 0.000 0.243 650 V C 2.495 178.592 176.094 0.005 0.000 1.036 650 V CA 1.830 64.115 62.300 -0.024 0.000 1.020 650 V CB -0.887 30.871 31.823 -0.109 0.000 0.657 650 V HN 0.454 nan 8.190 nan 0.000 0.453 651 S N 0.074 115.762 115.700 -0.020 0.000 2.343 651 S HA -0.182 4.288 4.470 -0.000 0.000 0.212 651 S C 2.213 176.794 174.600 -0.030 0.000 1.033 651 S CA 2.102 60.291 58.200 -0.018 0.000 1.004 651 S CB -0.434 62.747 63.200 -0.031 0.000 0.977 651 S HN 0.532 nan 8.310 nan 0.000 0.427 652 S N 0.160 115.811 115.700 -0.083 0.000 2.423 652 S HA 0.008 4.478 4.470 -0.000 0.000 0.231 652 S C 0.983 175.302 174.600 -0.468 0.000 1.014 652 S CA 0.727 58.764 58.200 -0.272 0.000 0.965 652 S CB -0.304 62.675 63.200 -0.369 0.000 0.785 652 S HN 0.629 nan 8.310 nan 0.000 0.495 653 H N -0.375 118.742 119.070 0.079 0.000 2.662 653 H HA 0.291 4.847 4.556 -0.000 0.000 0.268 653 H C 1.034 176.441 175.328 0.131 0.000 1.152 653 H CA 0.118 56.233 56.048 0.111 0.000 1.072 653 H CB -0.030 29.818 29.762 0.144 0.000 1.660 653 H HN 0.361 nan 8.280 nan 0.000 0.584 654 G N 2.056 110.963 108.800 0.178 0.000 2.172 654 G HA2 -0.045 3.915 3.960 -0.000 0.000 0.244 654 G HA3 -0.045 3.915 3.960 -0.000 0.000 0.244 654 G C -0.099 174.969 174.900 0.281 0.000 0.743 654 G CA 0.568 45.802 45.100 0.223 0.000 1.146 654 G HN 0.656 nan 8.290 nan 0.000 0.327 655 A N 1.234 124.163 122.820 0.181 0.000 2.572 655 A HA 0.953 5.272 4.320 -0.000 0.000 0.295 655 A C -0.025 177.559 177.584 -0.000 0.000 1.072 655 A CA -0.080 52.037 52.037 0.133 0.000 0.691 655 A CB 1.930 21.030 19.000 0.168 0.000 1.291 655 A HN 2.144 nan 8.150 nan 0.000 0.404 656 V N 0.505 120.392 119.914 -0.046 0.000 2.394 656 V HA 0.779 4.899 4.120 -0.000 0.000 0.282 656 V C 0.185 176.229 176.094 -0.083 0.000 1.031 656 V CA -0.456 61.764 62.300 -0.132 0.000 0.881 656 V CB 0.586 32.305 31.823 -0.174 0.000 0.982 656 V HN 1.627 nan 8.190 nan 0.000 0.451 657 V N 3.625 123.468 119.914 -0.119 0.000 2.532 657 V HA 0.896 5.016 4.120 -0.000 0.000 0.295 657 V C -0.212 175.824 176.094 -0.096 0.000 1.041 657 V CA -0.463 61.777 62.300 -0.101 0.000 0.926 657 V CB 1.500 33.227 31.823 -0.160 0.000 0.992 657 V HN 0.830 nan 8.190 nan 0.000 0.457 658 V N 4.340 124.226 119.914 -0.047 0.000 2.588 658 V HA 0.594 4.714 4.120 -0.000 0.000 0.304 658 V C -0.103 175.993 176.094 0.003 0.000 1.042 658 V CA -0.706 61.576 62.300 -0.031 0.000 0.877 658 V CB 1.590 33.411 31.823 -0.005 0.000 0.996 658 V HN 1.026 nan 8.190 nan 0.000 0.425 659 K N 2.639 123.038 120.400 -0.002 0.000 2.318 659 K HA 0.840 5.160 4.320 -0.000 0.000 0.249 659 K C -1.208 175.423 176.600 0.053 0.000 0.942 659 K CA -0.490 55.818 56.287 0.035 0.000 0.808 659 K CB 2.282 34.797 32.500 0.026 0.000 1.189 659 K HN 0.769 nan 8.250 nan 0.000 0.428 660 C N 1.406 120.752 119.300 0.076 0.000 2.985 660 C HA 0.413 4.873 4.460 -0.000 0.000 0.332 660 C C -1.794 173.250 174.990 0.090 0.000 1.164 660 C CA -0.666 58.401 59.018 0.082 0.000 1.347 660 C CB 1.214 28.998 27.740 0.073 0.000 1.764 660 C HN 0.819 nan 8.230 nan 0.000 0.489 661 D N 3.533 123.989 120.400 0.093 0.000 2.472 661 D HA 0.446 5.086 4.640 -0.000 0.000 0.234 661 D C 0.640 176.974 176.300 0.056 0.000 1.088 661 D CA 0.350 54.402 54.000 0.087 0.000 0.882 661 D CB 1.490 42.357 40.800 0.112 0.000 1.037 661 D HN 0.895 nan 8.370 nan 0.000 0.520 662 G N 1.351 110.172 108.800 0.036 0.000 2.489 662 G HA2 0.188 4.148 3.960 -0.000 0.000 0.271 662 G HA3 0.188 4.148 3.960 -0.000 0.000 0.271 662 G C 0.288 175.149 174.900 -0.065 0.000 1.427 662 G CA -0.719 44.382 45.100 0.001 0.000 1.057 662 G HN 0.332 nan 8.290 nan 0.000 0.532 663 R N -0.354 120.071 120.500 -0.124 0.000 2.537 663 R HA 0.406 4.746 4.340 -0.000 0.000 0.280 663 R C 0.791 177.006 176.300 -0.142 0.000 1.058 663 R CA 0.443 56.405 56.100 -0.231 0.000 1.057 663 R CB 0.252 30.364 30.300 -0.313 0.000 0.973 663 R HN 1.436 nan 8.270 nan 0.000 0.438 664 G N 1.256 109.963 108.800 -0.153 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 0.036 174.866 174.900 -0.115 0.000 1.000 664 G CA 0.015 45.051 45.100 -0.106 0.000 0.635 664 G HN 0.600 nan 8.290 nan 0.000 0.495 665 S N 0.625 116.268 115.700 -0.096 0.000 2.580 665 S HA 0.518 4.988 4.470 -0.000 0.000 0.266 665 S C 1.070 175.606 174.600 -0.108 0.000 1.354 665 S CA 0.414 58.585 58.200 -0.048 0.000 1.008 665 S CB 1.104 64.311 63.200 0.012 0.000 0.898 665 S HN 1.284 nan 8.310 nan 0.000 0.555 666 G N -0.722 108.015 108.800 -0.104 0.000 2.642 666 G HA2 0.560 4.520 3.960 -0.000 0.000 0.291 666 G HA3 0.560 4.520 3.960 -0.000 0.000 0.291 666 G C -0.674 174.118 174.900 -0.179 0.000 1.345 666 G CA -0.937 43.962 45.100 -0.335 0.000 1.043 666 G HN 0.621 nan 8.290 nan 0.000 0.528 667 F N -1.881 118.078 119.950 0.015 0.000 3.069 667 F HA -0.177 4.350 4.527 -0.000 0.000 0.285 667 F C 1.101 176.945 175.800 0.074 0.000 0.827 667 F CA 1.155 59.187 58.000 0.053 0.000 1.108 667 F CB -1.783 37.268 39.000 0.084 0.000 1.252 667 F HN 0.432 nan 8.300 nan 0.000 0.483 668 Q N -0.234 119.595 119.800 0.049 0.000 2.275 668 Q HA 0.462 4.802 4.340 -0.000 0.000 0.314 668 Q C 0.654 176.430 176.000 -0.372 0.000 0.851 668 Q CA 0.048 55.878 55.803 0.045 0.000 1.083 668 Q CB 1.192 30.001 28.738 0.118 0.000 1.341 668 Q HN 0.579 nan 8.270 nan 0.000 0.402 669 G N 0.286 108.588 108.800 -0.830 0.000 2.797 669 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.686 669 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.686 669 G C 0.639 175.134 174.900 -0.675 0.000 1.452 669 G CA -0.043 44.282 45.100 -1.290 0.000 0.986 669 G HN 0.210 nan 8.290 nan 0.000 0.595 670 T N 1.538 115.713 114.554 -0.632 0.000 2.624 670 T HA -0.302 4.048 4.350 -0.000 0.000 0.266 670 T C 2.434 176.741 174.700 -0.656 0.000 1.050 670 T CA 2.317 63.992 62.100 -0.708 0.000 1.163 670 T CB -0.282 68.234 68.868 -0.587 0.000 0.861 670 T HN 0.797 nan 8.240 nan 0.000 0.443 671 K N 0.182 120.372 120.400 -0.350 0.000 2.034 671 K HA -0.188 4.132 4.320 -0.000 0.000 0.214 671 K C 2.307 178.843 176.600 -0.106 0.000 1.051 671 K CA 1.764 57.982 56.287 -0.115 0.000 0.931 671 K CB -0.426 32.114 32.500 0.067 0.000 0.715 671 K HN 0.217 nan 8.250 nan 0.000 0.446 672 L N 1.287 122.416 121.223 -0.157 0.000 1.989 672 L HA -0.174 4.166 4.340 -0.000 0.000 0.211 672 L C 2.226 178.881 176.870 -0.359 0.000 1.071 672 L CA 1.482 56.061 54.840 -0.434 0.000 0.749 672 L CB -0.785 41.075 42.059 -0.331 0.000 0.890 672 L HN 0.330 nan 8.230 nan 0.000 0.431 673 L N -0.221 120.792 121.223 -0.349 0.000 1.990 673 L HA -0.302 4.038 4.340 -0.000 0.000 0.213 673 L C 2.378 179.172 176.870 -0.127 0.000 1.072 673 L CA 2.239 56.901 54.840 -0.298 0.000 0.755 673 L CB -1.032 40.736 42.059 -0.485 0.000 0.889 673 L HN 0.517 nan 8.230 nan 0.000 0.432 674 H N -1.789 117.077 119.070 -0.341 0.000 2.559 674 H HA -0.082 4.474 4.556 -0.000 0.000 0.273 674 H C 1.706 176.992 175.328 -0.071 0.000 1.000 674 H CA 0.364 56.211 56.048 -0.335 0.000 1.195 674 H CB 0.273 29.755 29.762 -0.467 0.000 1.368 674 H HN 0.417 nan 8.280 nan 0.000 0.592 675 E N 1.024 121.234 120.200 0.017 0.000 2.267 675 E HA -0.128 4.222 4.350 -0.000 0.000 0.197 675 E C 1.968 178.592 176.600 0.041 0.000 0.998 675 E CA 0.982 57.385 56.400 0.005 0.000 0.830 675 E CB 0.094 29.723 29.700 -0.118 0.000 0.751 675 E HN 0.486 nan 8.360 nan 0.000 0.491 676 V N -1.530 118.429 119.914 0.076 0.000 3.649 676 V HA 0.241 4.361 4.120 -0.000 0.000 0.275 676 V C 0.981 177.123 176.094 0.080 0.000 1.281 676 V CA -0.136 62.190 62.300 0.045 0.000 1.143 676 V CB -0.565 31.235 31.823 -0.038 0.000 0.892 676 V HN -0.011 nan 8.190 nan 0.000 0.441 677 R N 2.227 122.862 120.500 0.223 0.000 2.494 677 R HA 0.029 4.369 4.340 -0.000 0.000 0.291 677 R C 1.148 177.488 176.300 0.067 0.000 0.953 677 R CA 0.915 57.153 56.100 0.230 0.000 1.098 677 R CB -0.573 29.875 30.300 0.246 0.000 0.911 677 R HN 0.586 nan 8.270 nan 0.000 0.407 678 R N 2.379 122.875 120.500 -0.006 0.000 4.023 678 R HA -0.288 4.052 4.340 -0.000 0.000 0.368 678 R C 0.036 176.315 176.300 -0.034 0.000 1.187 678 R CA 1.906 57.980 56.100 -0.044 0.000 1.089 678 R CB -1.148 29.153 30.300 0.002 0.000 1.574 678 R HN 0.725 nan 8.270 nan 0.000 0.564 679 R N 0.329 120.810 120.500 -0.031 0.000 2.600 679 R HA 0.174 4.514 4.340 -0.000 0.000 0.392 679 R C -0.366 175.918 176.300 -0.026 0.000 1.032 679 R CA -0.741 55.355 56.100 -0.006 0.000 1.139 679 R CB 0.476 30.786 30.300 0.018 0.000 1.400 679 R HN -0.117 nan 8.270 nan 0.000 0.566 680 L N 1.283 122.447 121.223 -0.099 0.000 2.720 680 L HA -0.120 4.220 4.340 -0.000 0.000 0.289 680 L C 1.410 178.325 176.870 0.075 0.000 1.232 680 L CA 2.019 56.802 54.840 -0.095 0.000 0.915 680 L CB 0.033 41.862 42.059 -0.384 0.000 1.184 680 L HN 0.654 nan 8.230 nan 0.000 0.491 681 G N 2.558 111.425 108.800 0.112 0.000 2.205 681 G HA2 -0.355 3.604 3.960 -0.000 0.000 0.261 681 G HA3 -0.355 3.604 3.960 -0.000 0.000 0.261 681 G C 0.661 175.258 174.900 -0.505 0.000 0.980 681 G CA 0.613 45.632 45.100 -0.135 0.000 0.632 681 G HN 0.685 nan 8.290 nan 0.000 0.533 682 L N 0.476 121.594 121.223 -0.176 0.000 2.116 682 L HA 0.466 4.806 4.340 -0.000 0.000 0.200 682 L C 2.756 179.587 176.870 -0.065 0.000 1.084 682 L CA 1.993 56.778 54.840 -0.092 0.000 0.766 682 L CB -0.842 41.234 42.059 0.029 0.000 0.930 682 L HN 0.252 nan 8.230 nan 0.000 0.453 683 L N 0.519 121.724 121.223 -0.030 0.000 1.970 683 L HA -0.202 4.138 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 1.843 56.676 54.840 -0.010 0.000 0.751 683 L CB -1.327 40.727 42.059 -0.007 0.000 0.889 683 L HN 0.460 nan 8.230 nan 0.000 0.432 684 E N 1.194 121.372 120.200 -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 1.856 58.245 56.400 -0.018 0.000 0.829 684 E CB -0.434 29.278 29.700 0.020 0.000 0.744 684 E HN 0.713 nan 8.360 nan 0.000 0.491 685 E N 2.316 122.464 120.200 -0.087 0.000 2.072 685 E HA -0.154 4.196 4.350 -0.000 0.000 0.190 685 E C 1.854 178.477 176.600 0.037 0.000 0.982 685 E CA 1.470 57.844 56.400 -0.044 0.000 0.803 685 E CB -0.089 29.578 29.700 -0.055 0.000 0.755 685 E HN 0.294 nan 8.360 nan 0.000 0.453 686 K N 0.263 120.683 120.400 0.034 0.000 2.001 686 K HA -0.091 4.229 4.320 -0.000 0.000 0.208 686 K C 1.948 178.580 176.600 0.054 0.000 1.048 686 K CA 1.513 57.832 56.287 0.053 0.000 0.932 686 K CB -0.246 32.284 32.500 0.050 0.000 0.715 686 K HN 0.133 nan 8.250 nan 0.000 0.437 687 D N 0.770 121.196 120.400 0.043 0.000 2.123 687 D HA -0.161 4.479 4.640 -0.000 0.000 0.196 687 D C 2.142 178.477 176.300 0.059 0.000 0.992 687 D CA 1.112 55.141 54.000 0.048 0.000 0.833 687 D CB -0.017 40.802 40.800 0.033 0.000 0.954 687 D HN 0.104 nan 8.370 nan 0.000 0.455 688 Q N -0.602 119.236 119.800 0.063 0.000 2.049 688 Q HA -0.005 4.335 4.340 -0.000 0.000 0.198 688 Q C 2.125 178.191 176.000 0.111 0.000 0.971 688 Q CA 0.717 56.572 55.803 0.087 0.000 0.833 688 Q CB -0.268 28.522 28.738 0.086 0.000 0.896 688 Q HN 0.329 nan 8.270 nan 0.000 0.434 689 M N 0.576 120.245 119.600 0.115 0.000 2.213 689 M HA -0.153 4.327 4.480 -0.000 0.000 0.263 689 M C 1.875 178.219 176.300 0.074 0.000 1.062 689 M CA 1.254 56.628 55.300 0.123 0.000 1.105 689 M CB -0.785 31.887 32.600 0.121 0.000 1.385 689 M HN 0.116 nan 8.290 nan 0.000 0.417 690 E N 0.321 120.559 120.200 0.064 0.000 2.106 690 E HA -0.029 4.321 4.350 -0.000 0.000 0.192 690 E C 1.901 178.526 176.600 0.041 0.000 0.984 690 E CA 1.586 58.015 56.400 0.048 0.000 0.806 690 E CB -0.152 29.579 29.700 0.051 0.000 0.750 690 E HN 0.393 nan 8.360 nan 0.000 0.458 691 A N -0.244 122.607 122.820 0.052 0.000 2.014 691 A HA -0.061 4.259 4.320 -0.000 0.000 0.218 691 A C 2.365 179.968 177.584 0.031 0.000 1.163 691 A CA 1.288 53.352 52.037 0.045 0.000 0.652 691 A CB -0.363 18.672 19.000 0.058 0.000 0.808 691 A HN 0.183 nan 8.150 nan 0.000 0.449 692 V N -0.417 119.520 119.914 0.039 0.000 2.323 692 V HA -0.180 3.939 4.120 -0.000 0.000 0.244 692 V C 2.622 178.693 176.094 -0.039 0.000 1.041 692 V CA 2.093 64.397 62.300 0.006 0.000 1.025 692 V CB -0.752 31.080 31.823 0.016 0.000 0.656 692 V HN 0.439 nan 8.190 nan 0.000 0.451 693 R N 1.151 121.636 120.500 -0.025 0.000 2.082 693 R HA -0.155 4.185 4.340 -0.000 0.000 0.234 693 R C 2.593 178.869 176.300 -0.040 0.000 1.136 693 R CA 2.207 58.285 56.100 -0.037 0.000 0.935 693 R CB -1.389 28.903 30.300 -0.014 0.000 0.842 693 R HN 0.720 nan 8.270 nan 0.000 0.430 694 T N -2.174 112.368 114.554 -0.020 0.000 2.897 694 T HA -0.183 4.167 4.350 -0.000 0.000 0.271 694 T C 1.711 176.383 174.700 -0.048 0.000 1.084 694 T CA 1.509 63.596 62.100 -0.022 0.000 1.123 694 T CB -0.141 68.728 68.868 0.002 0.000 0.865 694 T HN 0.076 nan 8.240 nan 0.000 0.496 695 M N -0.267 119.298 119.600 -0.059 0.000 2.435 695 M HA 0.417 4.897 4.480 -0.000 0.000 0.265 695 M C 1.600 177.806 176.300 -0.157 0.000 1.104 695 M CA 0.586 55.828 55.300 -0.096 0.000 1.140 695 M CB -0.353 32.208 32.600 -0.064 0.000 1.372 695 M HN 0.180 nan 8.290 nan 0.000 0.456 696 L N 0.001 121.149 121.223 -0.126 0.000 2.217 696 L HA -0.092 4.248 4.340 -0.000 0.000 0.211 696 L C 1.970 178.754 176.870 -0.144 0.000 1.107 696 L CA 1.628 56.386 54.840 -0.138 0.000 0.783 696 L CB -0.661 41.330 42.059 -0.114 0.000 0.919 696 L HN 0.231 nan 8.230 nan 0.000 0.442 697 K N -0.455 119.872 120.400 -0.122 0.000 2.103 697 K HA -0.115 4.204 4.320 -0.000 0.000 0.207 697 K C 0.573 177.082 176.600 -0.152 0.000 1.048 697 K CA 0.474 56.698 56.287 -0.104 0.000 0.930 697 K CB -0.182 32.278 32.500 -0.067 0.000 0.716 697 K HN 0.268 nan 8.250 nan 0.000 0.444 698 E N 0.931 120.980 120.200 -0.251 0.000 2.461 698 E HA -0.144 4.206 4.350 -0.000 0.000 0.263 698 E C 0.766 177.131 176.600 -0.392 0.000 1.143 698 E CA 0.439 56.598 56.400 -0.402 0.000 0.994 698 E CB 0.464 29.604 29.700 -0.934 0.000 0.973 698 E HN 0.080 nan 8.360 nan 0.000 0.457 699 Q N 0.420 120.027 119.800 -0.322 0.000 2.384 699 Q HA -0.026 4.314 4.340 -0.000 0.000 0.207 699 Q C 0.649 176.376 176.000 -0.455 0.000 0.904 699 Q CA 0.409 56.051 55.803 -0.268 0.000 0.933 699 Q CB 0.064 28.764 28.738 -0.064 0.000 1.077 699 Q HN 0.582 nan 8.270 nan 0.000 0.522 700 Y N -0.802 119.406 120.300 -0.154 0.000 2.547 700 Y HA 0.435 4.985 4.550 -0.000 0.000 0.325 700 Y C 0.056 175.990 175.900 0.055 0.000 1.165 700 Y CA -0.814 57.279 58.100 -0.012 0.000 1.300 700 Y CB 0.037 38.703 38.460 0.344 0.000 1.126 700 Y HN -0.015 nan 8.280 nan 0.000 0.513 701 I N 2.513 122.914 120.570 -0.282 0.000 2.644 701 I HA 0.266 4.436 4.170 -0.000 0.000 0.291 701 I C -1.924 174.105 176.117 -0.146 0.000 1.180 701 I CA -0.803 60.414 61.300 -0.137 0.000 1.040 701 I CB 2.317 40.200 38.000 -0.196 0.000 1.255 701 I HN 0.332 nan 8.210 nan 0.000 0.422 702 D N 7.257 127.652 120.400 -0.009 0.000 2.349 702 D HA 0.219 4.859 4.640 -0.000 0.000 0.232 702 D C 0.820 177.116 176.300 -0.006 0.000 1.071 702 D CA -0.589 53.455 54.000 0.073 0.000 0.832 702 D CB 1.810 42.707 40.800 0.162 0.000 1.086 702 D HN 0.716 nan 8.370 nan 0.000 0.504 703 R N 2.260 122.748 120.500 -0.019 0.000 2.228 703 R HA -0.273 4.067 4.340 -0.000 0.000 0.264 703 R C 1.364 177.644 176.300 -0.033 0.000 1.179 703 R CA 2.497 58.570 56.100 -0.046 0.000 0.998 703 R CB -0.593 29.684 30.300 -0.038 0.000 0.885 703 R HN 0.647 nan 8.270 nan 0.000 0.466 704 T N -1.851 112.697 114.554 -0.009 0.000 2.867 704 T HA -0.085 4.265 4.350 -0.000 0.000 0.268 704 T C 1.085 175.803 174.700 0.031 0.000 1.057 704 T CA 0.844 62.949 62.100 0.008 0.000 1.136 704 T CB -0.114 68.761 68.868 0.011 0.000 0.874 704 T HN 0.318 nan 8.240 nan 0.000 0.466 705 R N 1.344 121.842 120.500 -0.002 0.000 3.050 705 R HA 0.547 4.887 4.340 -0.000 0.000 0.275 705 R C -1.420 174.905 176.300 0.042 0.000 1.373 705 R CA -0.332 55.780 56.100 0.019 0.000 1.612 705 R CB 1.197 31.378 30.300 -0.199 0.000 1.218 705 R HN 0.198 nan 8.270 nan 0.000 0.621 706 V N 1.252 121.260 119.914 0.158 0.000 2.417 706 V HA 0.738 4.858 4.120 -0.000 0.000 0.291 706 V C 0.047 176.392 176.094 0.419 0.000 1.024 706 V CA -0.782 61.612 62.300 0.157 0.000 0.861 706 V CB 1.548 33.284 31.823 -0.145 0.000 0.985 706 V HN 0.645 nan 8.190 nan 0.000 0.436 707 A N 3.977 127.103 122.820 0.510 0.000 2.479 707 A HA 0.966 5.286 4.320 -0.000 0.000 0.296 707 A C -1.180 176.628 177.584 0.373 0.000 1.121 707 A CA -0.750 51.567 52.037 0.467 0.000 0.743 707 A CB 2.316 21.406 19.000 0.150 0.000 1.323 707 A HN 1.053 nan 8.150 nan 0.000 0.415 708 V N 0.888 120.971 119.914 0.281 0.000 2.841 708 V HA 0.871 4.991 4.120 -0.000 0.000 0.310 708 V C -1.870 174.436 176.094 0.353 0.000 1.090 708 V CA -0.651 61.744 62.300 0.159 0.000 0.930 708 V CB 1.787 33.494 31.823 -0.193 0.000 1.014 708 V HN 1.265 nan 8.190 nan 0.000 0.425 709 F N 4.264 124.320 119.950 0.177 0.000 2.601 709 F HA 0.948 5.475 4.527 -0.000 0.000 0.309 709 F C -0.167 175.756 175.800 0.205 0.000 1.089 709 F CA 0.311 58.505 58.000 0.324 0.000 0.940 709 F CB 2.332 41.636 39.000 0.506 0.000 1.273 709 F HN 0.878 nan 8.300 nan 0.000 0.450 710 G N 3.544 111.786 108.800 -0.930 0.000 2.732 710 G HA2 0.531 4.491 3.960 -0.000 0.000 0.296 710 G HA3 0.531 4.491 3.960 -0.000 0.000 0.296 710 G C -2.471 171.980 174.900 -0.748 0.000 1.448 710 G CA -1.161 43.608 45.100 -0.552 0.000 0.911 710 G HN 0.781 nan 8.290 nan 0.000 0.528 711 K N 0.828 121.035 120.400 -0.322 0.000 2.375 711 K HA 0.852 5.172 4.320 -0.000 0.000 0.249 711 K C -0.015 176.545 176.600 -0.067 0.000 0.942 711 K CA -0.450 55.713 56.287 -0.207 0.000 0.806 711 K CB 2.451 34.924 32.500 -0.045 0.000 1.227 711 K HN 0.429 nan 8.250 nan 0.000 0.430 712 D N 0.145 120.490 120.400 -0.091 0.000 3.955 712 D HA -0.352 4.288 4.640 -0.000 0.000 0.142 712 D C 0.678 176.923 176.300 -0.092 0.000 0.877 712 D CA 2.043 55.998 54.000 -0.075 0.000 1.100 712 D CB -1.297 39.529 40.800 0.043 0.000 0.533 712 D HN 0.790 nan 8.370 nan 0.000 0.546 713 Y N 1.480 121.719 120.300 -0.103 0.000 2.421 713 Y HA 0.064 4.614 4.550 -0.000 0.000 0.292 713 Y C 2.228 178.173 175.900 0.075 0.000 1.136 713 Y CA 2.517 60.601 58.100 -0.028 0.000 1.255 713 Y CB -0.435 38.064 38.460 0.065 0.000 0.991 713 Y HN 0.338 nan 8.280 nan 0.000 0.552 714 G N -0.775 108.091 108.800 0.111 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 1.828 176.669 174.900 -0.099 0.000 1.135 714 G CA 0.595 45.721 45.100 0.044 0.000 0.784 714 G HN 0.546 nan 8.290 nan 0.000 0.543 715 G N -0.173 108.538 108.800 -0.148 0.000 2.421 715 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.217 715 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.217 715 G C 1.509 176.335 174.900 -0.123 0.000 1.143 715 G CA 0.940 45.926 45.100 -0.189 0.000 0.784 715 G HN 0.464 nan 8.290 nan 0.000 0.541 716 Y N 1.128 121.255 120.300 -0.288 0.000 2.114 716 Y HA -0.055 4.495 4.550 -0.000 0.000 0.284 716 Y C 2.524 178.312 175.900 -0.186 0.000 1.143 716 Y CA 1.438 59.363 58.100 -0.291 0.000 1.135 716 Y CB -0.223 37.929 38.460 -0.512 0.000 0.980 716 Y HN 0.078 nan 8.280 nan 0.000 0.499 717 L N -0.601 120.453 121.223 -0.281 0.000 2.046 717 L HA -0.231 4.109 4.340 -0.000 0.000 0.208 717 L C 2.840 179.599 176.870 -0.186 0.000 1.077 717 L CA 1.568 56.249 54.840 -0.265 0.000 0.747 717 L CB -0.996 41.002 42.059 -0.101 0.000 0.896 717 L HN 0.296 nan 8.230 nan 0.000 0.432 718 S N -0.360 115.246 115.700 -0.155 0.000 2.359 718 S HA -0.262 4.208 4.470 -0.000 0.000 0.223 718 S C 2.094 176.580 174.600 -0.189 0.000 1.039 718 S CA 2.381 60.491 58.200 -0.150 0.000 1.042 718 S CB -0.334 62.783 63.200 -0.139 0.000 0.915 718 S HN 0.622 nan 8.310 nan 0.000 0.439 719 T N -1.782 112.675 114.554 -0.162 0.000 3.085 719 T HA -0.017 4.333 4.350 -0.000 0.000 0.263 719 T C 1.574 176.090 174.700 -0.306 0.000 1.127 719 T CA 0.839 62.785 62.100 -0.256 0.000 1.103 719 T CB -0.488 68.374 68.868 -0.009 0.000 0.921 719 T HN 0.538 nan 8.240 nan 0.000 0.510 720 Y N 1.700 121.757 120.300 -0.406 0.000 2.337 720 Y HA 0.403 4.953 4.550 -0.000 0.000 0.293 720 Y C 1.343 177.077 175.900 -0.277 0.000 1.123 720 Y CA 0.113 57.980 58.100 -0.389 0.000 1.201 720 Y CB 0.028 38.163 38.460 -0.541 0.000 1.011 720 Y HN 0.277 nan 8.280 nan 0.000 0.545 721 I N 1.339 121.868 120.570 -0.068 0.000 3.771 721 I HA 0.037 4.207 4.170 -0.000 0.000 0.327 721 I C -0.906 175.025 176.117 -0.311 0.000 1.435 721 I CA 0.104 61.331 61.300 -0.122 0.000 1.259 721 I CB -0.293 37.597 38.000 -0.183 0.000 1.292 721 I HN 0.003 nan 8.210 nan 0.000 0.429 722 L N 4.411 125.488 121.223 -0.243 0.000 2.599 722 L HA 0.497 4.837 4.340 -0.000 0.000 0.241 722 L C -2.188 174.655 176.870 -0.046 0.000 1.207 722 L CA -1.137 53.581 54.840 -0.203 0.000 0.987 722 L CB 0.371 42.236 42.059 -0.322 0.000 1.318 722 L HN 0.090 nan 8.230 nan 0.000 0.458 723 P HA 0.738 nan 4.420 nan 0.000 0.340 723 P C -1.861 175.523 177.300 0.139 0.000 1.136 723 P CA -0.866 62.287 63.100 0.087 0.000 0.834 723 P CB 2.698 34.447 31.700 0.081 0.000 1.354 724 A N -0.085 122.789 122.820 0.090 0.000 2.385 724 A HA 0.576 4.896 4.320 -0.000 0.000 0.290 724 A C -0.383 177.232 177.584 0.052 0.000 1.094 724 A CA -0.539 51.538 52.037 0.067 0.000 0.729 724 A CB 0.856 19.884 19.000 0.046 0.000 1.194 724 A HN 0.397 nan 8.150 nan 0.000 0.442 725 K N 2.293 122.719 120.400 0.043 0.000 2.382 725 K HA 0.553 4.873 4.320 -0.000 0.000 0.275 725 K C 1.075 177.689 176.600 0.023 0.000 1.009 725 K CA 1.684 57.992 56.287 0.035 0.000 0.970 725 K CB 0.245 32.758 32.500 0.023 0.000 0.934 725 K HN 2.239 nan 8.250 nan 0.000 0.479 726 G N 2.747 111.562 108.800 0.025 0.000 2.531 726 G HA2 -0.333 3.627 3.960 -0.000 0.000 0.274 726 G HA3 -0.333 3.627 3.960 -0.000 0.000 0.274 726 G C 0.424 175.336 174.900 0.020 0.000 1.159 726 G CA 0.623 45.735 45.100 0.019 0.000 0.969 726 G HN 0.793 nan 8.290 nan 0.000 0.554 727 E N -1.763 118.447 120.200 0.016 0.000 2.926 727 E HA 0.018 4.368 4.350 -0.000 0.000 0.232 727 E C 1.860 178.468 176.600 0.013 0.000 1.095 727 E CA 0.420 56.829 56.400 0.016 0.000 1.755 727 E CB -0.586 29.122 29.700 0.014 0.000 2.411 727 E HN 0.367 nan 8.360 nan 0.000 1.046 728 N N 0.949 119.656 118.700 0.011 0.000 2.270 728 N HA -0.123 4.617 4.740 -0.000 0.000 0.181 728 N C 0.848 176.363 175.510 0.008 0.000 1.016 728 N CA 0.915 53.971 53.050 0.009 0.000 0.870 728 N CB 0.031 38.522 38.487 0.007 0.000 0.979 728 N HN 0.100 nan 8.380 nan 0.000 0.431 729 Q N 1.400 121.204 119.800 0.007 0.000 2.936 729 Q HA 0.317 4.657 4.340 -0.000 0.000 0.383 729 Q C 0.017 176.019 176.000 0.005 0.000 1.167 729 Q CA -0.521 55.284 55.803 0.002 0.000 1.038 729 Q CB -0.164 28.572 28.738 -0.002 0.000 1.409 729 Q HN 0.178 nan 8.270 nan 0.000 0.448 730 G N 0.405 109.212 108.800 0.011 0.000 2.588 730 G HA2 0.322 4.282 3.960 -0.000 0.000 0.278 730 G HA3 0.322 4.282 3.960 -0.000 0.000 0.278 730 G C -0.843 174.069 174.900 0.021 0.000 1.307 730 G CA -0.620 44.491 45.100 0.019 0.000 1.016 730 G HN 0.583 nan 8.290 nan 0.000 0.503 731 Q N -1.496 118.327 119.800 0.039 0.000 2.436 731 Q HA -0.160 4.180 4.340 -0.000 0.000 0.362 731 Q C 0.960 176.978 176.000 0.030 0.000 1.423 731 Q CA 0.839 56.675 55.803 0.055 0.000 1.014 731 Q CB -2.162 26.605 28.738 0.048 0.000 1.177 731 Q HN 0.494 nan 8.270 nan 0.000 0.324 732 T N -0.700 113.871 114.554 0.027 0.000 2.896 732 T HA 0.081 4.431 4.350 -0.000 0.000 0.263 732 T C 0.330 174.852 174.700 -0.297 0.000 1.050 732 T CA 1.064 63.075 62.100 -0.148 0.000 1.140 732 T CB 0.038 68.784 68.868 -0.204 0.000 0.877 732 T HN 0.383 nan 8.240 nan 0.000 0.457 733 F N 0.545 120.529 119.950 0.057 0.000 2.507 733 F HA 0.412 4.939 4.527 -0.000 0.000 0.327 733 F C 1.431 177.289 175.800 0.096 0.000 1.068 733 F CA -0.940 57.113 58.000 0.087 0.000 0.965 733 F CB 1.565 40.619 39.000 0.090 0.000 1.192 733 F HN -0.221 nan 8.300 nan 0.000 0.476 734 T N -0.450 114.297 114.554 0.322 0.000 3.021 734 T HA 0.102 4.452 4.350 -0.000 0.000 0.245 734 T C -0.062 174.777 174.700 0.232 0.000 1.028 734 T CA 0.605 62.843 62.100 0.231 0.000 1.139 734 T CB -0.031 68.971 68.868 0.223 0.000 0.884 734 T HN 0.691 nan 8.240 nan 0.000 0.457 735 c N 0.182 118.961 118.600 0.298 0.000 3.170 735 c HA 0.931 5.501 4.570 -0.000 0.000 0.319 735 c C 0.008 174.391 174.090 0.488 0.000 1.260 735 c CA -1.173 55.352 56.329 0.326 0.000 1.374 735 c CB 1.208 43.780 42.510 0.103 0.000 1.739 735 c HN 0.516 nan 8.230 nan 0.000 0.479 736 G N 0.120 109.246 108.800 0.544 0.000 2.694 736 G HA2 0.825 4.785 3.960 -0.000 0.000 0.290 736 G HA3 0.825 4.785 3.960 -0.000 0.000 0.290 736 G C -1.494 173.743 174.900 0.563 0.000 1.386 736 G CA -0.355 45.058 45.100 0.521 0.000 0.872 736 G HN 1.499 nan 8.290 nan 0.000 0.475 737 S N -1.434 114.543 115.700 0.461 0.000 2.536 737 S HA 0.788 5.258 4.470 -0.000 0.000 0.271 737 S C -0.889 173.714 174.600 0.005 0.000 1.134 737 S CA 0.061 58.363 58.200 0.169 0.000 0.897 737 S CB 1.536 64.743 63.200 0.012 0.000 1.094 737 S HN 1.869 nan 8.310 nan 0.000 0.473 738 A N 3.051 125.801 122.820 -0.117 0.000 2.359 738 A HA 0.747 5.067 4.320 -0.000 0.000 0.303 738 A C -1.398 176.028 177.584 -0.264 0.000 1.066 738 A CA -0.564 51.332 52.037 -0.235 0.000 0.730 738 A CB 1.278 20.241 19.000 -0.062 0.000 1.211 738 A HN 0.909 nan 8.150 nan 0.000 0.439 739 L N 2.391 123.414 121.223 -0.335 0.000 2.265 739 L HA 0.571 4.911 4.340 -0.000 0.000 0.289 739 L C 0.439 177.153 176.870 -0.259 0.000 1.033 739 L CA 0.738 55.448 54.840 -0.216 0.000 0.814 739 L CB 0.630 42.605 42.059 -0.139 0.000 1.203 739 L HN 0.916 nan 8.230 nan 0.000 0.423 740 S N 4.550 120.014 115.700 -0.394 0.000 3.524 740 S HA -0.109 4.361 4.470 -0.000 0.000 0.377 740 S C -2.372 171.978 174.600 -0.416 0.000 0.949 740 S CA 0.453 58.201 58.200 -0.754 0.000 1.264 740 S CB -1.569 61.378 63.200 -0.422 0.000 0.918 740 S HN 0.690 nan 8.310 nan 0.000 0.517 741 P HA 0.410 nan 4.420 nan 0.000 0.281 741 P C 0.029 177.154 177.300 -0.292 0.000 1.252 741 P CA -0.613 62.359 63.100 -0.214 0.000 0.778 741 P CB 0.741 32.376 31.700 -0.108 0.000 0.895 742 I N 2.719 123.011 120.570 -0.464 0.000 2.395 742 I HA 0.324 4.494 4.170 -0.000 0.000 0.289 742 I C 0.690 176.612 176.117 -0.325 0.000 1.023 742 I CA 0.427 61.239 61.300 -0.813 0.000 1.350 742 I CB 0.980 38.258 38.000 -1.203 0.000 1.409 742 I HN 0.417 nan 8.210 nan 0.000 0.507 743 T N 0.955 115.504 114.554 -0.008 0.000 3.058 743 T HA 0.358 4.708 4.350 -0.000 0.000 0.278 743 T C -0.109 174.594 174.700 0.005 0.000 0.974 743 T CA -0.125 62.013 62.100 0.062 0.000 0.893 743 T CB -0.362 68.533 68.868 0.045 0.000 1.138 743 T HN 0.683 nan 8.240 nan 0.000 0.529 744 D N 0.032 120.387 120.400 -0.075 0.000 2.333 744 D HA 0.240 4.880 4.640 -0.000 0.000 0.225 744 D C -0.284 175.998 176.300 -0.031 0.000 1.345 744 D CA -0.768 53.194 54.000 -0.062 0.000 0.971 744 D CB 0.151 40.905 40.800 -0.076 0.000 1.451 744 D HN 0.032 nan 8.370 nan 0.000 0.561 745 F N 1.833 121.891 119.950 0.181 0.000 2.664 745 F HA 0.006 4.533 4.527 -0.000 0.000 0.297 745 F C 2.177 178.222 175.800 0.409 0.000 1.164 745 F CA 0.688 58.856 58.000 0.279 0.000 1.472 745 F CB 0.059 39.127 39.000 0.114 0.000 1.108 745 F HN 0.180 nan 8.300 nan 0.000 0.596 746 K N 0.073 120.727 120.400 0.422 0.000 2.228 746 K HA 0.069 4.389 4.320 -0.000 0.000 0.202 746 K C 1.464 178.197 176.600 0.222 0.000 1.051 746 K CA 0.644 57.098 56.287 0.278 0.000 0.960 746 K CB -0.000 32.592 32.500 0.154 0.000 0.743 746 K HN 0.296 nan 8.250 nan 0.000 0.458 747 L N -0.136 121.187 121.223 0.168 0.000 2.607 747 L HA 0.172 4.512 4.340 -0.000 0.000 0.228 747 L C 0.377 177.462 176.870 0.358 0.000 1.123 747 L CA -0.260 54.636 54.840 0.093 0.000 0.890 747 L CB -0.061 41.795 42.059 -0.339 0.000 1.103 747 L HN 0.138 nan 8.230 nan 0.000 0.468 748 Y N 0.571 121.044 120.300 0.288 0.000 2.488 748 Y HA 0.578 5.128 4.550 -0.000 0.000 0.325 748 Y C 0.825 176.953 175.900 0.379 0.000 1.204 748 Y CA -1.370 56.912 58.100 0.304 0.000 1.229 748 Y CB 1.370 39.953 38.460 0.203 0.000 1.274 748 Y HN -0.014 nan 8.280 nan 0.000 0.493 749 A N 2.259 125.037 122.820 -0.069 0.000 2.580 749 A HA 0.002 4.322 4.320 -0.000 0.000 0.244 749 A C 1.248 178.832 177.584 -0.000 0.000 1.045 749 A CA 0.553 52.499 52.037 -0.151 0.000 0.761 749 A CB -0.296 18.521 19.000 -0.305 0.000 0.962 749 A HN 1.003 nan 8.150 nan 0.000 0.512 750 S N 3.746 119.491 115.700 0.075 0.000 2.377 750 S HA -0.279 4.191 4.470 -0.000 0.000 0.224 750 S C 2.073 176.724 174.600 0.084 0.000 1.042 750 S CA 1.857 60.136 58.200 0.131 0.000 1.086 750 S CB -1.140 62.143 63.200 0.138 0.000 0.995 750 S HN 1.837 nan 8.310 nan 0.000 0.428 751 A N 0.656 123.480 122.820 0.006 0.000 2.042 751 A HA -0.066 4.253 4.320 -0.000 0.000 0.222 751 A C 1.965 179.450 177.584 -0.165 0.000 1.167 751 A CA 1.920 53.882 52.037 -0.124 0.000 0.649 751 A CB -0.981 17.798 19.000 -0.368 0.000 0.809 751 A HN 0.669 nan 8.150 nan 0.000 0.457 752 F N 0.314 120.121 119.950 -0.238 0.000 2.164 752 F HA 0.003 4.530 4.527 -0.000 0.000 0.287 752 F C 2.630 178.354 175.800 -0.127 0.000 1.086 752 F CA 1.597 59.481 58.000 -0.193 0.000 1.249 752 F CB -0.418 38.497 39.000 -0.142 0.000 1.059 752 F HN 0.173 nan 8.300 nan 0.000 0.490 753 S N 0.631 116.546 115.700 0.357 0.000 2.351 753 S HA -0.246 4.224 4.470 -0.000 0.000 0.220 753 S C 1.771 176.334 174.600 -0.061 0.000 1.035 753 S CA 1.858 60.217 58.200 0.266 0.000 1.031 753 S CB -0.686 62.814 63.200 0.499 0.000 0.928 753 S HN 0.483 nan 8.310 nan 0.000 0.433 754 E N 0.747 120.969 120.200 0.037 0.000 2.209 754 E HA -0.205 4.145 4.350 -0.000 0.000 0.196 754 E C 2.219 178.690 176.600 -0.215 0.000 0.993 754 E CA 0.807 57.216 56.400 0.016 0.000 0.819 754 E CB -0.180 29.575 29.700 0.093 0.000 0.745 754 E HN 0.394 nan 8.360 nan 0.000 0.477 755 R N 0.201 120.400 120.500 -0.501 0.000 2.096 755 R HA -0.169 4.171 4.340 -0.000 0.000 0.235 755 R C 1.339 176.978 176.300 -1.102 0.000 1.127 755 R CA 1.478 57.054 56.100 -0.873 0.000 0.968 755 R CB 0.012 29.488 30.300 -1.373 0.000 0.861 755 R HN 0.211 nan 8.270 nan 0.000 0.440 756 Y N -1.004 118.877 120.300 -0.698 0.000 2.507 756 Y HA 0.215 4.765 4.550 -0.000 0.000 0.263 756 Y C 1.389 177.040 175.900 -0.415 0.000 1.093 756 Y CA 0.108 57.778 58.100 -0.718 0.000 1.285 756 Y CB 0.475 38.412 38.460 -0.872 0.000 1.115 756 Y HN -0.043 nan 8.280 nan 0.000 0.533 757 L N -0.816 120.236 121.223 -0.286 0.000 2.766 757 L HA 0.507 4.847 4.340 -0.000 0.000 0.242 757 L C 0.778 177.610 176.870 -0.063 0.000 1.136 757 L CA 0.179 54.859 54.840 -0.267 0.000 0.933 757 L CB -0.042 41.610 42.059 -0.679 0.000 1.241 757 L HN 0.253 nan 8.230 nan 0.000 0.522 758 G N 0.997 109.780 108.800 -0.028 0.000 2.814 758 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.677 758 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.677 758 G C -0.637 174.368 174.900 0.175 0.000 1.429 758 G CA -0.982 44.156 45.100 0.065 0.000 0.868 758 G HN -0.036 nan 8.290 nan 0.000 0.553 759 L N 0.789 122.098 121.223 0.143 0.000 2.483 759 L HA 0.410 4.750 4.340 -0.000 0.000 0.275 759 L C 1.508 178.512 176.870 0.223 0.000 1.220 759 L CA 0.296 55.233 54.840 0.162 0.000 0.833 759 L CB 0.455 42.567 42.059 0.089 0.000 1.102 759 L HN 0.830 nan 8.230 nan 0.000 0.490 760 H N 0.755 119.831 119.070 0.009 0.000 3.676 760 H HA 0.405 4.961 4.556 -0.000 0.000 0.169 760 H C 1.332 176.603 175.328 -0.094 0.000 1.513 760 H CA 0.106 56.049 56.048 -0.174 0.000 1.693 760 H CB -0.274 29.228 29.762 -0.434 0.000 1.222 760 H HN 0.567 nan 8.280 nan 0.000 0.628 761 G N 0.508 109.108 108.800 -0.334 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 0.945 175.698 174.900 -0.245 0.000 1.315 761 G CA 0.903 45.829 45.100 -0.290 0.000 1.033 761 G HN 0.647 nan 8.290 nan 0.000 0.741 762 L N 2.512 123.677 121.223 -0.097 0.000 2.798 762 L HA 0.358 4.698 4.340 -0.000 0.000 0.254 762 L C 0.586 177.453 176.870 -0.005 0.000 1.176 762 L CA 0.941 55.753 54.840 -0.046 0.000 0.991 762 L CB -1.258 40.796 42.059 -0.008 0.000 1.225 762 L HN 0.581 nan 8.230 nan 0.000 0.420 763 D N 0.194 120.576 120.400 -0.030 0.000 3.845 763 D HA -0.294 4.345 4.640 -0.000 0.000 0.227 763 D C 0.995 177.415 176.300 0.200 0.000 1.092 763 D CA 0.498 54.580 54.000 0.137 0.000 1.148 763 D CB -0.461 40.393 40.800 0.089 0.000 0.803 763 D HN 0.456 nan 8.370 nan 0.000 0.395 764 N N 2.462 121.339 118.700 0.294 0.000 2.609 764 N HA -0.180 4.560 4.740 -0.000 0.000 0.190 764 N C 0.790 176.454 175.510 0.256 0.000 1.157 764 N CA 1.042 54.250 53.050 0.264 0.000 0.918 764 N CB -0.074 38.626 38.487 0.354 0.000 0.978 764 N HN 0.645 nan 8.380 nan 0.000 0.448 765 R N -1.195 119.469 120.500 0.273 0.000 3.266 765 R HA -0.253 4.087 4.340 -0.000 0.000 0.245 765 R C 0.064 176.489 176.300 0.208 0.000 0.941 765 R CA 1.285 57.522 56.100 0.228 0.000 0.638 765 R CB -2.248 28.145 30.300 0.155 0.000 1.019 765 R HN 0.120 nan 8.270 nan 0.000 0.462 766 A N -0.723 122.247 122.820 0.250 0.000 2.226 766 A HA 0.279 4.599 4.320 -0.000 0.000 0.207 766 A C 0.960 178.586 177.584 0.071 0.000 1.293 766 A CA 0.056 52.151 52.037 0.098 0.000 0.968 766 A CB -0.014 18.976 19.000 -0.017 0.000 1.044 766 A HN 0.386 nan 8.150 nan 0.000 0.493 767 Y N 0.476 120.806 120.300 0.050 0.000 2.616 767 Y HA 0.051 4.601 4.550 -0.000 0.000 0.296 767 Y C 2.296 178.279 175.900 0.138 0.000 1.154 767 Y CA 0.987 59.130 58.100 0.072 0.000 1.325 767 Y CB 0.222 38.622 38.460 -0.099 0.000 1.007 767 Y HN 0.282 nan 8.280 nan 0.000 0.542 768 E N -0.325 120.053 120.200 0.297 0.000 2.099 768 E HA 0.001 4.351 4.350 -0.000 0.000 0.191 768 E C 1.910 178.748 176.600 0.397 0.000 0.962 768 E CA 0.699 57.276 56.400 0.297 0.000 0.826 768 E CB -0.040 29.808 29.700 0.248 0.000 0.788 768 E HN 0.455 nan 8.360 nan 0.000 0.461 769 M N 0.538 120.327 119.600 0.315 0.000 2.419 769 M HA -0.063 4.417 4.480 -0.000 0.000 0.264 769 M C 2.077 178.608 176.300 0.386 0.000 1.082 769 M CA 1.436 56.942 55.300 0.343 0.000 1.119 769 M CB -0.201 32.518 32.600 0.197 0.000 1.398 769 M HN 0.026 nan 8.290 nan 0.000 0.453 770 T N -2.065 112.682 114.554 0.322 0.000 3.023 770 T HA 0.045 4.395 4.350 -0.000 0.000 0.266 770 T C 0.711 175.713 174.700 0.504 0.000 1.093 770 T CA 0.071 62.419 62.100 0.413 0.000 1.129 770 T CB -0.292 68.738 68.868 0.270 0.000 0.899 770 T HN 0.239 nan 8.240 nan 0.000 0.491 771 K N 1.332 121.896 120.400 0.273 0.000 2.473 771 K HA 0.105 4.425 4.320 -0.000 0.000 0.277 771 K C 0.992 177.559 176.600 -0.056 0.000 1.052 771 K CA -0.176 56.144 56.287 0.056 0.000 1.114 771 K CB 0.938 33.304 32.500 -0.222 0.000 0.869 771 K HN -0.038 nan 8.250 nan 0.000 0.481 772 V N 3.884 123.830 119.914 0.052 0.000 2.913 772 V HA -0.216 3.904 4.120 -0.000 0.000 0.260 772 V C 1.928 177.874 176.094 -0.248 0.000 1.098 772 V CA 2.124 64.342 62.300 -0.136 0.000 1.121 772 V CB -0.474 31.280 31.823 -0.115 0.000 0.714 772 V HN 0.940 nan 8.190 nan 0.000 0.487 773 A N -0.552 122.115 122.820 -0.255 0.000 1.917 773 A HA -0.290 4.030 4.320 -0.000 0.000 0.219 773 A C 1.976 179.462 177.584 -0.163 0.000 1.182 773 A CA 2.135 54.040 52.037 -0.221 0.000 0.633 773 A CB -0.844 18.022 19.000 -0.222 0.000 0.819 773 A HN 0.742 nan 8.150 nan 0.000 0.448 774 H N -0.351 118.668 119.070 -0.085 0.000 2.422 774 H HA -0.064 4.492 4.556 -0.000 0.000 0.298 774 H C 2.171 177.402 175.328 -0.162 0.000 1.098 774 H CA 1.558 57.550 56.048 -0.094 0.000 1.315 774 H CB -0.208 29.518 29.762 -0.059 0.000 1.382 774 H HN 0.396 nan 8.280 nan 0.000 0.523 775 R N 0.709 121.097 120.500 -0.186 0.000 2.080 775 R HA -0.030 4.310 4.340 -0.000 0.000 0.222 775 R C 2.504 178.677 176.300 -0.211 0.000 1.107 775 R CA 1.096 57.020 56.100 -0.292 0.000 0.980 775 R CB -0.966 28.951 30.300 -0.639 0.000 0.879 775 R HN 0.393 nan 8.270 nan 0.000 0.439 776 V N -0.588 119.209 119.914 -0.196 0.000 2.828 776 V HA -0.159 3.961 4.120 -0.000 0.000 0.260 776 V C 1.910 177.952 176.094 -0.087 0.000 1.101 776 V CA 1.850 64.060 62.300 -0.150 0.000 1.123 776 V CB -0.672 31.083 31.823 -0.113 0.000 0.704 776 V HN 0.043 nan 8.190 nan 0.000 0.493 777 S N 1.091 116.752 115.700 -0.066 0.000 2.387 777 S HA -0.153 4.317 4.470 -0.000 0.000 0.230 777 S C 2.109 176.691 174.600 -0.030 0.000 1.035 777 S CA 1.783 59.964 58.200 -0.032 0.000 1.014 777 S CB -0.668 62.523 63.200 -0.015 0.000 0.836 777 S HN 1.032 nan 8.310 nan 0.000 0.466 778 A N 1.555 124.347 122.820 -0.046 0.000 1.994 778 A HA 0.254 4.574 4.320 -0.000 0.000 0.202 778 A C 0.696 178.263 177.584 -0.027 0.000 1.286 778 A CA 0.359 52.377 52.037 -0.032 0.000 0.653 778 A CB -1.139 17.837 19.000 -0.040 0.000 0.926 778 A HN 0.438 nan 8.150 nan 0.000 0.494 779 L N -0.271 120.925 121.223 -0.044 0.000 3.538 779 L HA -0.261 4.079 4.340 -0.000 0.000 0.534 779 L C 0.720 177.592 176.870 0.005 0.000 1.001 779 L CA 0.639 55.458 54.840 -0.034 0.000 1.156 779 L CB -0.745 41.281 42.059 -0.054 0.000 0.908 779 L HN 0.758 nan 8.230 nan 0.000 0.673 780 E N 1.655 121.867 120.200 0.021 0.000 2.357 780 E HA -0.028 4.322 4.350 -0.000 0.000 0.202 780 E C 0.884 177.511 176.600 0.044 0.000 0.855 780 E CA 0.827 57.246 56.400 0.031 0.000 1.048 780 E CB 0.350 30.067 29.700 0.029 0.000 1.037 780 E HN 0.801 nan 8.360 nan 0.000 0.499 781 E N 0.016 120.248 120.200 0.054 0.000 2.641 781 E HA 0.125 4.475 4.350 -0.000 0.000 0.224 781 E C -0.391 176.259 176.600 0.085 0.000 0.951 781 E CA -0.117 56.322 56.400 0.064 0.000 1.102 781 E CB 0.123 29.858 29.700 0.058 0.000 1.091 781 E HN -0.020 nan 8.360 nan 0.000 0.507 782 Q N 1.292 121.148 119.800 0.093 0.000 2.373 782 Q HA 0.267 4.607 4.340 -0.000 0.000 0.255 782 Q C -0.346 175.753 176.000 0.165 0.000 0.980 782 Q CA 0.223 56.102 55.803 0.128 0.000 0.882 782 Q CB 0.670 29.476 28.738 0.112 0.000 1.249 782 Q HN 0.151 nan 8.270 nan 0.000 0.438 783 Q N 1.258 121.190 119.800 0.219 0.000 2.279 783 Q HA 0.348 4.688 4.340 -0.000 0.000 0.256 783 Q C -1.215 175.070 176.000 0.476 0.000 0.937 783 Q CA -0.241 55.745 55.803 0.304 0.000 0.933 783 Q CB 0.776 29.680 28.738 0.278 0.000 1.189 783 Q HN 0.430 nan 8.270 nan 0.000 0.417 784 F N 4.449 124.506 119.950 0.180 0.000 2.403 784 F HA 0.342 4.869 4.527 -0.000 0.000 0.355 784 F C -1.331 174.430 175.800 -0.065 0.000 1.119 784 F CA -1.543 56.508 58.000 0.085 0.000 1.007 784 F CB 0.892 39.939 39.000 0.078 0.000 1.194 784 F HN 0.358 nan 8.300 nan 0.000 0.443 785 L N 8.448 129.479 121.223 -0.320 0.000 2.294 785 L HA 0.531 4.871 4.340 -0.000 0.000 0.283 785 L C -1.196 175.288 176.870 -0.644 0.000 1.015 785 L CA -0.342 54.075 54.840 -0.704 0.000 0.831 785 L CB 1.058 42.218 42.059 -1.500 0.000 1.217 785 L HN 0.531 nan 8.230 nan 0.000 0.420 786 I N 6.188 126.418 120.570 -0.567 0.000 2.336 786 I HA 0.370 4.539 4.170 -0.000 0.000 0.292 786 I C -0.095 175.905 176.117 -0.196 0.000 0.991 786 I CA -0.422 60.621 61.300 -0.427 0.000 1.227 786 I CB 1.754 39.505 38.000 -0.416 0.000 1.366 786 I HN 0.483 nan 8.210 nan 0.000 0.466 787 I N 6.034 126.537 120.570 -0.112 0.000 2.378 787 I HA 0.386 4.556 4.170 -0.000 0.000 0.291 787 I C -0.610 175.602 176.117 0.157 0.000 0.992 787 I CA -0.486 60.833 61.300 0.031 0.000 1.154 787 I CB 1.395 39.427 38.000 0.053 0.000 1.315 787 I HN 0.598 nan 8.210 nan 0.000 0.448 788 H N 6.701 125.877 119.070 0.177 0.000 3.083 788 H HA 0.306 4.862 4.556 -0.000 0.000 0.339 788 H C -2.725 172.743 175.328 0.234 0.000 1.020 788 H CA -1.597 54.594 56.048 0.238 0.000 1.360 788 H CB 2.667 32.611 29.762 0.304 0.000 1.811 788 H HN 0.289 nan 8.280 nan 0.000 0.493 789 P HA -0.007 nan 4.420 nan 0.000 0.276 789 P C 0.511 177.918 177.300 0.178 0.000 1.243 789 P CA -0.072 63.177 63.100 0.249 0.000 0.768 789 P CB 1.836 33.529 31.700 -0.012 0.000 0.856 790 T N 2.754 117.270 114.554 -0.063 0.000 2.759 790 T HA -0.129 4.220 4.350 -0.000 0.000 0.269 790 T C 1.384 176.051 174.700 -0.055 0.000 1.042 790 T CA 1.976 63.928 62.100 -0.247 0.000 1.140 790 T CB -0.270 68.409 68.868 -0.315 0.000 0.864 790 T HN 0.546 nan 8.240 nan 0.000 0.455 791 A N 1.387 124.210 122.820 0.004 0.000 2.833 791 A HA 0.234 4.553 4.320 -0.000 0.000 0.293 791 A C 0.230 177.871 177.584 0.094 0.000 1.338 791 A CA -0.450 51.607 52.037 0.033 0.000 0.959 791 A CB -0.197 18.801 19.000 -0.004 0.000 1.094 791 A HN 0.277 nan 8.150 nan 0.000 0.569 792 D N 1.525 122.035 120.400 0.184 0.000 2.412 792 D HA -0.045 4.595 4.640 -0.000 0.000 0.257 792 D C 1.055 177.522 176.300 0.278 0.000 1.217 792 D CA 0.225 54.390 54.000 0.275 0.000 0.897 792 D CB 0.854 41.914 40.800 0.434 0.000 1.132 792 D HN 0.596 nan 8.370 nan 0.000 0.493 793 E N 4.293 124.638 120.200 0.242 0.000 2.385 793 E HA -0.108 4.242 4.350 -0.000 0.000 0.194 793 E C 1.127 177.815 176.600 0.146 0.000 1.013 793 E CA 0.412 56.931 56.400 0.197 0.000 0.866 793 E CB 0.153 29.919 29.700 0.110 0.000 0.832 793 E HN 0.488 nan 8.360 nan 0.000 0.500 794 K N 0.747 121.245 120.400 0.163 0.000 2.121 794 K HA 0.179 4.499 4.320 -0.000 0.000 0.203 794 K C 0.641 177.258 176.600 0.029 0.000 1.041 794 K CA 0.427 56.824 56.287 0.184 0.000 0.969 794 K CB 0.379 32.784 32.500 -0.159 0.000 0.799 794 K HN 0.028 nan 8.250 nan 0.000 0.456 795 I N 2.722 123.233 120.570 -0.099 0.000 2.460 795 I HA 0.174 4.344 4.170 -0.000 0.000 0.277 795 I C -0.906 175.267 176.117 0.093 0.000 1.057 795 I CA -0.779 60.407 61.300 -0.190 0.000 1.179 795 I CB 1.036 38.831 38.000 -0.342 0.000 1.329 795 I HN 0.239 nan 8.210 nan 0.000 0.478 796 H N 3.978 123.129 119.070 0.135 0.000 3.115 796 H HA -0.143 4.413 4.556 -0.000 0.000 0.324 796 H C 0.844 176.287 175.328 0.191 0.000 1.007 796 H CA -0.057 56.076 56.048 0.141 0.000 1.385 796 H CB 0.854 30.604 29.762 -0.019 0.000 1.351 796 H HN 0.586 nan 8.280 nan 0.000 0.592 797 F N 2.427 122.376 119.950 -0.003 0.000 2.287 797 F HA -0.253 4.274 4.527 -0.000 0.000 0.301 797 F C 2.378 178.051 175.800 -0.210 0.000 1.069 797 F CA 1.461 59.184 58.000 -0.463 0.000 1.372 797 F CB -0.290 38.509 39.000 -0.334 0.000 1.056 797 F HN 0.644 nan 8.300 nan 0.000 0.523 798 Q N -0.491 119.263 119.800 -0.076 0.000 2.173 798 Q HA -0.283 4.057 4.340 -0.000 0.000 0.208 798 Q C 2.178 178.005 176.000 -0.289 0.000 0.989 798 Q CA 2.111 57.799 55.803 -0.191 0.000 0.872 798 Q CB -0.417 28.254 28.738 -0.112 0.000 0.909 798 Q HN 0.581 nan 8.270 nan 0.000 0.420 799 H N -0.858 118.089 119.070 -0.205 0.000 2.267 799 H HA -0.100 4.456 4.556 -0.000 0.000 0.297 799 H C 2.176 177.339 175.328 -0.276 0.000 1.080 799 H CA 1.932 57.864 56.048 -0.192 0.000 1.278 799 H CB -0.336 29.349 29.762 -0.130 0.000 1.365 799 H HN 0.325 nan 8.280 nan 0.000 0.489 800 T N 0.987 115.405 114.554 -0.227 0.000 2.737 800 T HA -0.158 4.192 4.350 -0.000 0.000 0.269 800 T C 2.228 176.599 174.700 -0.549 0.000 1.040 800 T CA 1.134 63.014 62.100 -0.368 0.000 1.142 800 T CB -0.389 68.232 68.868 -0.412 0.000 0.861 800 T HN 0.453 nan 8.240 nan 0.000 0.456 801 A N 1.228 123.592 122.820 -0.761 0.000 1.858 801 A HA -0.102 4.218 4.320 -0.000 0.000 0.216 801 A C 2.213 179.597 177.584 -0.333 0.000 1.190 801 A CA 1.875 53.574 52.037 -0.565 0.000 0.617 801 A CB -0.660 18.037 19.000 -0.506 0.000 0.827 801 A HN 0.418 nan 8.150 nan 0.000 0.443 802 E N -0.439 119.590 120.200 -0.285 0.000 2.085 802 E HA -0.179 4.171 4.350 -0.000 0.000 0.194 802 E C 1.809 178.297 176.600 -0.188 0.000 0.994 802 E CA 1.235 57.511 56.400 -0.206 0.000 0.801 802 E CB -0.374 29.207 29.700 -0.198 0.000 0.743 802 E HN 0.446 nan 8.360 nan 0.000 0.453 803 L N 0.286 121.392 121.223 -0.196 0.000 2.017 803 L HA -0.104 4.236 4.340 -0.000 0.000 0.208 803 L C 2.123 178.860 176.870 -0.221 0.000 1.073 803 L CA 1.676 56.417 54.840 -0.165 0.000 0.745 803 L CB -0.449 41.536 42.059 -0.124 0.000 0.894 803 L HN 0.240 nan 8.230 nan 0.000 0.432 804 I N -1.124 119.254 120.570 -0.321 0.000 2.286 804 I HA -0.311 3.859 4.170 -0.000 0.000 0.248 804 I C 2.234 178.152 176.117 -0.332 0.000 1.115 804 I CA 1.563 62.574 61.300 -0.481 0.000 1.392 804 I CB -0.649 37.027 38.000 -0.540 0.000 1.065 804 I HN 0.307 nan 8.210 nan 0.000 0.418 805 T N 0.130 114.550 114.554 -0.224 0.000 2.720 805 T HA -0.201 4.148 4.350 -0.000 0.000 0.268 805 T C 1.921 176.549 174.700 -0.119 0.000 1.037 805 T CA 1.249 63.261 62.100 -0.146 0.000 1.144 805 T CB -0.108 68.689 68.868 -0.118 0.000 0.864 805 T HN 0.290 nan 8.240 nan 0.000 0.444 806 Q N 0.676 120.402 119.800 -0.123 0.000 2.079 806 Q HA 0.095 4.434 4.340 -0.000 0.000 0.200 806 Q C 2.495 178.447 176.000 -0.080 0.000 0.974 806 Q CA 1.019 56.770 55.803 -0.088 0.000 0.840 806 Q CB -0.708 27.978 28.738 -0.087 0.000 0.898 806 Q HN 0.504 nan 8.270 nan 0.000 0.430 807 L N -0.016 121.135 121.223 -0.120 0.000 2.131 807 L HA -0.160 4.180 4.340 -0.000 0.000 0.210 807 L C 2.311 179.156 176.870 -0.043 0.000 1.092 807 L CA 0.829 55.618 54.840 -0.084 0.000 0.759 807 L CB -0.423 41.528 42.059 -0.181 0.000 0.903 807 L HN 0.173 nan 8.230 nan 0.000 0.435 808 I N -0.596 119.929 120.570 -0.076 0.000 2.286 808 I HA -0.220 3.950 4.170 -0.000 0.000 0.245 808 I C 2.704 178.820 176.117 -0.002 0.000 1.104 808 I CA 1.092 62.384 61.300 -0.013 0.000 1.397 808 I CB -0.213 37.771 38.000 -0.027 0.000 1.072 808 I HN 0.189 nan 8.210 nan 0.000 0.417 809 R N 0.611 121.100 120.500 -0.019 0.000 2.092 809 R HA -0.063 4.276 4.340 -0.000 0.000 0.231 809 R C 2.179 178.479 176.300 -0.000 0.000 1.119 809 R CA 1.356 57.450 56.100 -0.009 0.000 0.970 809 R CB -0.570 29.721 30.300 -0.015 0.000 0.864 809 R HN 0.375 nan 8.270 nan 0.000 0.440 810 G N 0.603 109.401 108.800 -0.004 0.000 2.848 810 G HA2 -0.113 3.847 3.960 -0.000 0.000 0.208 810 G HA3 -0.113 3.847 3.960 -0.000 0.000 0.208 810 G C -0.072 174.839 174.900 0.018 0.000 1.152 810 G CA -0.242 44.860 45.100 0.003 0.000 0.789 810 G HN 0.220 nan 8.290 nan 0.000 0.531 811 K N -0.929 119.487 120.400 0.027 0.000 3.077 811 K HA -0.187 4.133 4.320 -0.000 0.000 0.264 811 K C 0.611 177.248 176.600 0.060 0.000 1.008 811 K CA 0.076 56.389 56.287 0.044 0.000 0.740 811 K CB -1.629 30.890 32.500 0.033 0.000 1.273 811 K HN 0.518 nan 8.250 nan 0.000 0.477 812 A N 0.895 123.762 122.820 0.079 0.000 2.256 812 A HA 0.571 4.891 4.320 -0.000 0.000 0.318 812 A C 0.041 177.733 177.584 0.180 0.000 1.103 812 A CA -0.734 51.366 52.037 0.105 0.000 0.860 812 A CB 0.540 19.595 19.000 0.091 0.000 1.182 812 A HN 0.291 nan 8.150 nan 0.000 0.501 813 N N 0.326 119.138 118.700 0.186 0.000 2.400 813 N HA 0.572 5.312 4.740 -0.000 0.000 0.288 813 N C -1.086 174.605 175.510 0.303 0.000 1.024 813 N CA 0.028 53.196 53.050 0.197 0.000 0.894 813 N CB 1.398 39.951 38.487 0.110 0.000 1.173 813 N HN 0.662 nan 8.380 nan 0.000 0.487 814 Y N -1.304 119.045 120.300 0.081 0.000 2.715 814 Y HA 0.788 5.338 4.550 -0.000 0.000 0.331 814 Y C -0.756 175.124 175.900 -0.033 0.000 1.197 814 Y CA -1.327 56.803 58.100 0.051 0.000 1.079 814 Y CB 1.178 39.633 38.460 -0.008 0.000 1.298 814 Y HN 0.326 nan 8.280 nan 0.000 0.477 815 S N 1.141 116.703 115.700 -0.229 0.000 2.543 815 S HA 0.610 5.079 4.470 -0.000 0.000 0.271 815 S C -2.229 172.268 174.600 -0.172 0.000 1.148 815 S CA -0.722 57.286 58.200 -0.320 0.000 0.914 815 S CB 0.924 63.998 63.200 -0.211 0.000 1.096 815 S HN 0.890 nan 8.310 nan 0.000 0.471 816 L N 3.955 125.104 121.223 -0.123 0.000 2.346 816 L HA 0.629 4.969 4.340 -0.000 0.000 0.274 816 L C -0.898 175.912 176.870 -0.101 0.000 1.007 816 L CA -0.467 54.345 54.840 -0.048 0.000 0.818 816 L CB 1.815 43.929 42.059 0.092 0.000 1.284 816 L HN 0.743 nan 8.230 nan 0.000 0.424 817 Q N 3.851 123.587 119.800 -0.106 0.000 2.310 817 Q HA 0.449 4.789 4.340 -0.000 0.000 0.270 817 Q C -1.376 174.531 176.000 -0.156 0.000 1.025 817 Q CA -0.689 55.019 55.803 -0.160 0.000 0.772 817 Q CB 3.142 31.779 28.738 -0.168 0.000 1.253 817 Q HN 0.451 nan 8.270 nan 0.000 0.450 818 I N 1.328 121.745 120.570 -0.254 0.000 2.750 818 I HA 0.310 4.480 4.170 -0.000 0.000 0.308 818 I C -1.265 174.582 176.117 -0.451 0.000 1.016 818 I CA -0.623 60.526 61.300 -0.251 0.000 1.098 818 I CB 1.328 39.166 38.000 -0.269 0.000 1.279 818 I HN 0.490 nan 8.210 nan 0.000 0.454 819 Y N 4.862 125.093 120.300 -0.115 0.000 2.748 819 Y HA 0.412 4.962 4.550 -0.000 0.000 0.359 819 Y C -2.236 173.554 175.900 -0.183 0.000 1.030 819 Y CA -2.627 55.388 58.100 -0.142 0.000 1.169 819 Y CB 0.430 38.810 38.460 -0.133 0.000 1.127 819 Y HN 0.366 nan 8.280 nan 0.000 0.644 820 P HA -0.121 nan 4.420 nan 0.000 0.259 820 P C 0.174 177.444 177.300 -0.050 0.000 1.155 820 P CA 1.293 64.326 63.100 -0.111 0.000 0.759 820 P CB 0.454 32.080 31.700 -0.123 0.000 0.753 821 D N -0.134 120.253 120.400 -0.023 0.000 3.028 821 D HA -0.181 4.459 4.640 -0.000 0.000 0.211 821 D C 0.183 176.453 176.300 -0.051 0.000 1.136 821 D CA 1.340 55.329 54.000 -0.018 0.000 0.987 821 D CB -0.675 40.118 40.800 -0.012 0.000 1.128 821 D HN 0.433 nan 8.370 nan 0.000 0.406 822 E N 0.378 120.532 120.200 -0.076 0.000 2.366 822 E HA 0.301 4.651 4.350 -0.000 0.000 0.266 822 E C 0.693 177.215 176.600 -0.130 0.000 1.051 822 E CA -0.046 56.263 56.400 -0.153 0.000 0.884 822 E CB 1.335 30.872 29.700 -0.272 0.000 1.006 822 E HN 0.208 nan 8.360 nan 0.000 0.417 823 S N 1.121 116.737 115.700 -0.139 0.000 2.633 823 S HA -0.031 4.439 4.470 -0.000 0.000 0.257 823 S C 1.196 175.769 174.600 -0.044 0.000 1.265 823 S CA 0.280 58.467 58.200 -0.023 0.000 0.980 823 S CB 0.447 63.672 63.200 0.041 0.000 1.017 823 S HN 0.684 nan 8.310 nan 0.000 0.577 824 H N -0.341 118.740 119.070 0.019 0.000 2.436 824 H HA 0.108 4.664 4.556 -0.000 0.000 0.294 824 H C 1.283 176.555 175.328 -0.092 0.000 1.048 824 H CA 1.838 57.861 56.048 -0.043 0.000 1.353 824 H CB -0.360 29.366 29.762 -0.060 0.000 1.414 824 H HN 0.685 nan 8.280 nan 0.000 0.536 825 Y N -0.806 119.511 120.300 0.028 0.000 2.337 825 Y HA 0.066 4.616 4.550 -0.000 0.000 0.293 825 Y C 0.032 176.046 175.900 0.189 0.000 1.123 825 Y CA 0.801 58.940 58.100 0.066 0.000 1.201 825 Y CB 0.218 38.760 38.460 0.136 0.000 1.011 825 Y HN 0.066 nan 8.280 nan 0.000 0.545 826 F N 0.071 120.015 119.950 -0.011 0.000 2.744 826 F HA -0.215 4.312 4.527 -0.000 0.000 0.377 826 F C 0.470 176.261 175.800 -0.016 0.000 1.069 826 F CA 0.595 58.540 58.000 -0.092 0.000 1.211 826 F CB -1.982 36.910 39.000 -0.181 0.000 1.606 826 F HN 0.042 nan 8.300 nan 0.000 0.781 827 T N -2.885 111.740 114.554 0.118 0.000 3.327 827 T HA 0.404 4.754 4.350 -0.000 0.000 0.241 827 T C 0.383 175.117 174.700 0.057 0.000 0.907 827 T CA 0.297 62.458 62.100 0.101 0.000 0.931 827 T CB 0.756 69.671 68.868 0.079 0.000 1.112 827 T HN 0.488 nan 8.240 nan 0.000 0.589 828 S N 0.967 116.694 115.700 0.045 0.000 2.774 828 S HA 0.412 4.882 4.470 -0.000 0.000 0.297 828 S C 1.372 175.963 174.600 -0.015 0.000 1.143 828 S CA -0.195 58.008 58.200 0.006 0.000 1.090 828 S CB 1.131 64.312 63.200 -0.031 0.000 1.019 828 S HN 0.476 nan 8.310 nan 0.000 0.482 829 S N 3.924 119.617 115.700 -0.012 0.000 2.380 829 S HA -0.172 4.298 4.470 -0.000 0.000 0.229 829 S C 2.104 176.545 174.600 -0.265 0.000 1.043 829 S CA 1.942 60.096 58.200 -0.076 0.000 1.038 829 S CB -1.016 62.184 63.200 -0.001 0.000 0.872 829 S HN 0.798 nan 8.310 nan 0.000 0.456 830 S N 1.455 117.057 115.700 -0.163 0.000 2.353 830 S HA -0.038 4.431 4.470 -0.000 0.000 0.222 830 S C 1.853 176.371 174.600 -0.136 0.000 1.035 830 S CA 1.373 59.478 58.200 -0.158 0.000 1.025 830 S CB -0.657 62.496 63.200 -0.078 0.000 0.902 830 S HN 0.559 nan 8.310 nan 0.000 0.440 831 L N 0.896 122.071 121.223 -0.081 0.000 2.005 831 L HA -0.080 4.260 4.340 -0.000 0.000 0.207 831 L C 2.784 179.633 176.870 -0.034 0.000 1.072 831 L CA 1.816 56.643 54.840 -0.021 0.000 0.744 831 L CB -0.578 41.465 42.059 -0.027 0.000 0.895 831 L HN 0.399 nan 8.230 nan 0.000 0.433 832 K N -0.148 120.192 120.400 -0.101 0.000 2.089 832 K HA -0.330 3.990 4.320 -0.000 0.000 0.210 832 K C 2.085 178.399 176.600 -0.476 0.000 1.048 832 K CA 2.207 58.307 56.287 -0.313 0.000 0.926 832 K CB -0.058 32.317 32.500 -0.208 0.000 0.714 832 K HN 0.255 nan 8.250 nan 0.000 0.448 833 Q N -0.146 119.346 119.800 -0.513 0.000 1.993 833 Q HA -0.268 4.072 4.340 -0.000 0.000 0.202 833 Q C 2.220 178.156 176.000 -0.106 0.000 0.984 833 Q CA 1.974 57.457 55.803 -0.534 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 0.535 119.526 119.070 -0.131 0.000 2.353 834 H HA -0.185 4.371 4.556 -0.000 0.000 0.298 834 H C 2.031 177.394 175.328 0.060 0.000 1.103 834 H CA 1.826 57.880 56.048 0.010 0.000 1.293 834 H CB -0.336 29.476 29.762 0.083 0.000 1.372 834 H HN 0.433 nan 8.280 nan 0.000 0.501 835 L N -0.019 121.315 121.223 0.184 0.000 1.955 835 L HA -0.284 4.056 4.340 -0.000 0.000 0.213 835 L C 2.476 179.371 176.870 0.043 0.000 1.072 835 L CA 1.880 56.756 54.840 0.059 0.000 0.755 835 L CB -0.795 41.021 42.059 -0.405 0.000 0.888 835 L HN 0.360 nan 8.230 nan 0.000 0.432 836 Y N -0.015 120.228 120.300 -0.094 0.000 2.081 836 Y HA -0.372 4.178 4.550 -0.000 0.000 0.280 836 Y C 2.909 178.771 175.900 -0.062 0.000 1.163 836 Y CA 1.315 59.363 58.100 -0.086 0.000 1.135 836 Y CB -0.355 38.207 38.460 0.171 0.000 0.970 836 Y HN 0.292 nan 8.280 nan 0.000 0.498 837 R N 0.126 120.722 120.500 0.160 0.000 2.115 837 R HA -0.195 4.145 4.340 -0.000 0.000 0.239 837 R C 2.430 178.704 176.300 -0.043 0.000 1.133 837 R CA 1.771 57.898 56.100 0.046 0.000 0.935 837 R CB -0.908 29.370 30.300 -0.037 0.000 0.853 837 R HN 0.188 nan 8.270 nan 0.000 0.433 838 S N 1.119 116.750 115.700 -0.114 0.000 2.368 838 S HA -0.170 4.300 4.470 -0.000 0.000 0.226 838 S C 2.092 176.629 174.600 -0.104 0.000 1.044 838 S CA 1.532 59.662 58.200 -0.117 0.000 1.062 838 S CB -0.335 62.825 63.200 -0.067 0.000 0.931 838 S HN 0.230 nan 8.310 nan 0.000 0.440 839 I N 1.543 122.019 120.570 -0.158 0.000 2.127 839 I HA -0.229 3.941 4.170 -0.000 0.000 0.241 839 I C 2.124 178.174 176.117 -0.112 0.000 1.075 839 I CA 1.377 62.517 61.300 -0.267 0.000 1.334 839 I CB -0.659 36.941 38.000 -0.667 0.000 1.040 839 I HN 0.288 nan 8.210 nan 0.000 0.405 840 I N 0.820 121.384 120.570 -0.011 0.000 2.151 840 I HA -0.324 3.845 4.170 -0.000 0.000 0.243 840 I C 2.038 178.144 176.117 -0.017 0.000 1.080 840 I CA 1.763 63.120 61.300 0.096 0.000 1.339 840 I CB -0.997 37.053 38.000 0.084 0.000 1.039 840 I HN 0.262 nan 8.210 nan 0.000 0.409 841 N N 0.707 119.384 118.700 -0.038 0.000 2.258 841 N HA -0.215 4.525 4.740 -0.000 0.000 0.187 841 N C 1.542 177.025 175.510 -0.045 0.000 1.012 841 N CA 1.277 54.296 53.050 -0.051 0.000 0.870 841 N CB -0.402 38.062 38.487 -0.038 0.000 0.977 841 N HN 0.390 nan 8.380 nan 0.000 0.434 842 F N -0.087 119.722 119.950 -0.236 0.000 2.074 842 F HA 0.097 4.624 4.527 -0.000 0.000 0.290 842 F C 1.759 177.367 175.800 -0.321 0.000 1.118 842 F CA 1.072 58.877 58.000 -0.324 0.000 1.199 842 F CB -0.675 38.014 39.000 -0.519 0.000 1.012 842 F HN -0.062 nan 8.300 nan 0.000 0.472 843 F N -0.425 119.326 119.950 -0.330 0.000 2.102 843 F HA -0.195 4.331 4.527 -0.000 0.000 0.298 843 F C 2.619 178.007 175.800 -0.687 0.000 1.105 843 F CA 1.252 58.841 58.000 -0.685 0.000 1.239 843 F CB -0.999 37.719 39.000 -0.470 0.000 0.991 843 F HN -0.114 nan 8.300 nan 0.000 0.474 844 V N 0.117 119.939 119.914 -0.152 0.000 2.546 844 V HA -0.249 3.871 4.120 -0.000 0.000 0.254 844 V C 2.183 178.259 176.094 -0.030 0.000 1.076 844 V CA 1.809 64.067 62.300 -0.069 0.000 1.087 844 V CB -0.272 31.391 31.823 -0.266 0.000 0.674 844 V HN 0.277 nan 8.190 nan 0.000 0.470 845 E N 0.239 120.357 120.200 -0.137 0.000 2.004 845 E HA -0.126 4.224 4.350 -0.000 0.000 0.192 845 E C 1.951 178.501 176.600 -0.084 0.000 0.987 845 E CA 1.646 57.983 56.400 -0.104 0.000 0.822 845 E CB -0.859 28.751 29.700 -0.150 0.000 0.779 845 E HN 0.812 nan 8.360 nan 0.000 0.458 846 c N 1.052 119.512 118.600 -0.232 0.000 2.479 846 c HA 0.139 4.709 4.570 -0.000 0.000 0.337 846 c C 1.608 175.793 174.090 0.158 0.000 1.429 846 c CA -0.448 55.810 56.329 -0.118 0.000 1.532 846 c CB -2.071 40.279 42.510 -0.267 0.000 1.563 846 c HN 0.107 nan 8.230 nan 0.000 0.604 847 F N -0.009 119.932 119.950 -0.016 0.000 2.463 847 F HA 0.398 4.925 4.527 -0.000 0.000 0.271 847 F C 1.540 177.354 175.800 0.024 0.000 0.888 847 F CA -0.238 57.777 58.000 0.025 0.000 1.149 847 F CB -0.881 38.149 39.000 0.051 0.000 1.071 847 F HN 0.045 nan 8.300 nan 0.000 0.802 848 R N 1.491 122.126 120.500 0.226 0.000 2.640 848 R HA 0.211 4.551 4.340 -0.000 0.000 0.270 848 R C -0.142 176.208 176.300 0.083 0.000 1.024 848 R CA 0.354 56.528 56.100 0.122 0.000 1.085 848 R CB -0.030 30.331 30.300 0.102 0.000 0.963 848 R HN 0.313 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