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 2zut_1_A DATA FIRST_RESID 3 DATA SEQUENCE STGRFTLPSE ENFAEKTKEL AELWGADAIR NSXXXXXXXX VLALGKKIYN DATA SEQUENCE AYFPTRAHNE WITLHMDETP QVYLLTDRIL AESDTVDIPL MESFFAEQLK DATA SEQUENCE PNRDADPHKY WEVVDRTTGE VVDSANWTLD ADEDTVHVSG VAAWHEYTVS DATA SEQUENCE FLAYIIWDPV EMYNHLTNDW GDKEHEIPFD IYHPATRKFV FDTFEQWLKD DATA SEQUENCE SPQTDVVRFT TFFYQFTLLF DEKRREKVVD WFGCACTVSP RALDDFEAKY DATA SEQUENCE GYRLRPEDFV DGGAYNSAWR VPRKAQRDWI DFLSGFVREN VKQLADMSHA DATA SEQUENCE AGKEAMMFLG DQWIGTEPYK DGFDELGLDA VVGSIGDGTT TRMIADIPGV DATA SEQUENCE KYTEGRFLPY FFPDTFYEGN DPSIEGLDNW RKARRAILRS PISRMGYGGY DATA SEQUENCE LSLAAKFPKF VDTVTHIANE FRDIHDRTGG VAAEGELNVA ILNSWGKMRS DATA SEQUENCE WMAFTVAHAL PNKQTYSYYG ILESLSGMRV NVRFISFDDV LAHGIDSDID DATA SEQUENCE VIINGGPVDT AFTGGDVWTN PKLVETVRAW VRGGGAFVGV GEPSSAPRFQ DATA SEQUENCE TGRFFQLADV IGVDEERYQT LSVDKYFPPV VPDHFITADV PVDPAAREAW DATA SEQUENCE EQAGYRIPLS GCGGGQSIKP LGGIDFGEPV LNTYPVNENV TLLRADGGQV DATA SEQUENCE QLATNDYGKG RGVYISGLPY SAANARLLER VLFYASHNED KYAAWSSSNP DATA SEQUENCE ECEVAHFPEQ GLYCVINNTD QPQKTTVTLA DGTTEDFDLP DSGIAWREAL DATA SEQUENCE EH 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 3 S HA 0.000 nan 4.470 nan 0.000 0.327 3 S C 0.000 174.586 174.600 -0.023 0.000 1.055 3 S CA 0.000 58.187 58.200 -0.022 0.000 1.107 3 S CB 0.000 63.185 63.200 -0.026 0.000 0.593 4 T N 3.031 117.577 114.554 -0.013 0.000 2.923 4 T HA 0.847 5.198 4.350 0.002 0.000 0.311 4 T C 0.068 174.774 174.700 0.009 0.000 1.183 4 T CA 0.969 63.062 62.100 -0.012 0.000 1.020 4 T CB 1.123 69.979 68.868 -0.019 0.000 1.165 4 T HN 2.206 nan 8.240 nan 0.000 0.482 5 G N 2.420 111.236 108.800 0.027 0.000 2.483 5 G HA2 0.053 4.015 3.960 0.002 0.000 0.521 5 G HA3 0.053 4.015 3.960 0.002 0.000 0.521 5 G C -0.412 174.548 174.900 0.099 0.000 1.278 5 G CA -0.040 45.089 45.100 0.050 0.000 0.965 5 G HN 1.056 nan 8.290 nan 0.000 0.504 6 R N -1.986 118.556 120.500 0.070 0.000 3.627 6 R HA -0.220 4.121 4.340 0.002 0.000 0.281 6 R C -0.157 176.169 176.300 0.043 0.000 1.140 6 R CA 1.554 57.699 56.100 0.076 0.000 0.761 6 R CB -1.709 28.698 30.300 0.178 0.000 1.181 6 R HN 1.194 nan 8.270 nan 0.000 0.472 7 F N -0.614 119.275 119.950 -0.102 0.000 2.573 7 F HA 0.289 4.817 4.527 0.002 0.000 0.316 7 F C -0.416 175.328 175.800 -0.092 0.000 1.148 7 F CA -0.528 57.391 58.000 -0.136 0.000 0.940 7 F CB 1.943 40.883 39.000 -0.100 0.000 1.214 7 F HN -0.189 nan 8.300 nan 0.000 0.448 8 T N 7.050 121.436 114.554 -0.280 0.000 2.758 8 T HA 0.447 4.798 4.350 0.002 0.000 0.285 8 T C -1.011 173.630 174.700 -0.098 0.000 0.981 8 T CA -0.367 61.593 62.100 -0.234 0.000 0.965 8 T CB 1.176 69.791 68.868 -0.421 0.000 0.927 8 T HN 0.500 nan 8.240 nan 0.000 0.448 9 L N 7.115 128.435 121.223 0.161 0.000 2.295 9 L HA 0.598 4.939 4.340 0.002 0.000 0.285 9 L C -2.385 174.593 176.870 0.180 0.000 1.035 9 L CA -1.988 53.067 54.840 0.358 0.000 0.806 9 L CB 1.116 43.426 42.059 0.419 0.000 1.214 9 L HN 0.306 nan 8.230 nan 0.000 0.426 10 P HA 0.372 nan 4.420 nan 0.000 0.279 10 P C -1.517 175.896 177.300 0.188 0.000 1.252 10 P CA -0.401 62.775 63.100 0.126 0.000 0.811 10 P CB 1.600 33.330 31.700 0.051 0.000 1.035 11 S N -0.272 115.513 115.700 0.142 0.000 2.671 11 S HA 0.757 5.229 4.470 0.002 0.000 0.277 11 S C -1.085 173.604 174.600 0.148 0.000 1.165 11 S CA -0.709 57.598 58.200 0.178 0.000 0.822 11 S CB 2.168 65.463 63.200 0.158 0.000 1.150 11 S HN 0.609 nan 8.310 nan 0.000 0.479 12 E N -0.222 120.083 120.200 0.174 0.000 2.445 12 E HA 0.469 4.820 4.350 0.002 0.000 0.279 12 E C -1.349 175.340 176.600 0.148 0.000 1.018 12 E CA -1.130 55.352 56.400 0.138 0.000 0.816 12 E CB 1.004 30.770 29.700 0.109 0.000 1.356 12 E HN 0.661 nan 8.360 nan 0.000 0.462 13 E N 0.832 121.099 120.200 0.111 0.000 2.404 13 E HA 0.054 4.406 4.350 0.002 0.000 0.261 13 E C -0.525 176.145 176.600 0.117 0.000 1.074 13 E CA -0.139 56.322 56.400 0.101 0.000 0.917 13 E CB 0.212 29.956 29.700 0.072 0.000 0.965 13 E HN 0.459 nan 8.360 nan 0.000 0.433 14 N N 1.674 120.446 118.700 0.120 0.000 2.727 14 N HA -0.238 4.504 4.740 0.002 0.000 0.251 14 N C -0.742 174.933 175.510 0.276 0.000 1.040 14 N CA 0.846 53.978 53.050 0.137 0.000 0.712 14 N CB -0.956 37.587 38.487 0.093 0.000 0.912 14 N HN 0.439 nan 8.380 nan 0.000 0.545 15 F N -1.380 118.575 119.950 0.008 0.000 2.763 15 F HA 0.401 4.929 4.527 0.002 0.000 0.334 15 F C 1.291 177.087 175.800 -0.006 0.000 1.279 15 F CA 0.067 58.068 58.000 0.002 0.000 0.997 15 F CB -0.217 38.794 39.000 0.018 0.000 1.397 15 F HN 0.132 nan 8.300 nan 0.000 0.502 16 A N -0.239 122.590 122.820 0.015 0.000 1.940 16 A HA -0.130 4.191 4.320 0.002 0.000 0.219 16 A C 2.184 179.684 177.584 -0.140 0.000 1.176 16 A CA 2.013 54.025 52.037 -0.041 0.000 0.631 16 A CB -0.214 18.776 19.000 -0.016 0.000 0.814 16 A HN 0.345 nan 8.150 nan 0.000 0.446 17 E N -0.091 119.990 120.200 -0.198 0.000 2.028 17 E HA -0.142 4.209 4.350 0.002 0.000 0.191 17 E C 1.952 178.347 176.600 -0.343 0.000 0.988 17 E CA 0.910 57.172 56.400 -0.230 0.000 0.799 17 E CB -0.304 29.280 29.700 -0.194 0.000 0.755 17 E HN 0.347 nan 8.360 nan 0.000 0.447 18 K N 0.519 120.554 120.400 -0.609 0.000 2.097 18 K HA -0.049 4.273 4.320 0.002 0.000 0.206 18 K C 2.200 178.509 176.600 -0.485 0.000 1.049 18 K CA 0.968 56.823 56.287 -0.719 0.000 0.933 18 K CB -0.634 30.999 32.500 -1.446 0.000 0.717 18 K HN 0.111 nan 8.250 nan 0.000 0.442 19 T N 1.146 115.474 114.554 -0.377 0.000 2.652 19 T HA -0.182 4.169 4.350 0.002 0.000 0.267 19 T C 1.941 176.548 174.700 -0.156 0.000 1.039 19 T CA 1.790 63.806 62.100 -0.140 0.000 1.153 19 T CB -0.097 68.764 68.868 -0.011 0.000 0.863 19 T HN 0.306 nan 8.240 nan 0.000 0.428 20 K N 0.795 121.100 120.400 -0.158 0.000 2.063 20 K HA -0.163 4.159 4.320 0.002 0.000 0.208 20 K C 2.420 178.917 176.600 -0.172 0.000 1.048 20 K CA 1.606 57.812 56.287 -0.134 0.000 0.928 20 K CB -0.095 32.336 32.500 -0.116 0.000 0.713 20 K HN 0.420 nan 8.250 nan 0.000 0.442 21 E N 0.443 120.511 120.200 -0.220 0.000 2.047 21 E HA -0.185 4.166 4.350 0.002 0.000 0.191 21 E C 2.063 178.469 176.600 -0.323 0.000 0.987 21 E CA 1.118 57.374 56.400 -0.239 0.000 0.799 21 E CB -0.006 29.546 29.700 -0.246 0.000 0.752 21 E HN 0.333 nan 8.360 nan 0.000 0.449 22 L N 0.311 121.280 121.223 -0.424 0.000 2.109 22 L HA -0.069 4.273 4.340 0.002 0.000 0.207 22 L C 2.692 179.215 176.870 -0.579 0.000 1.086 22 L CA 0.770 55.168 54.840 -0.737 0.000 0.760 22 L CB -0.430 41.060 42.059 -0.949 0.000 0.910 22 L HN 0.182 nan 8.230 nan 0.000 0.437 23 A N -0.404 122.246 122.820 -0.283 0.000 1.940 23 A HA -0.233 4.089 4.320 0.002 0.000 0.219 23 A C 2.316 179.816 177.584 -0.141 0.000 1.176 23 A CA 1.679 53.641 52.037 -0.125 0.000 0.631 23 A CB -0.366 18.600 19.000 -0.057 0.000 0.814 23 A HN 0.346 nan 8.150 nan 0.000 0.446 24 E N -0.690 119.407 120.200 -0.171 0.000 2.072 24 E HA -0.108 4.244 4.350 0.002 0.000 0.190 24 E C 1.979 178.488 176.600 -0.150 0.000 0.982 24 E CA 0.970 57.288 56.400 -0.137 0.000 0.803 24 E CB -0.224 29.400 29.700 -0.127 0.000 0.755 24 E HN 0.478 nan 8.360 nan 0.000 0.453 25 L N -0.090 120.995 121.223 -0.230 0.000 2.093 25 L HA -0.133 4.209 4.340 0.002 0.000 0.208 25 L C 1.715 178.551 176.870 -0.057 0.000 1.085 25 L CA 1.315 56.037 54.840 -0.196 0.000 0.755 25 L CB -0.305 41.554 42.059 -0.332 0.000 0.904 25 L HN 0.203 nan 8.230 nan 0.000 0.435 26 W N 0.037 121.149 121.300 -0.312 0.000 3.290 26 W HA 0.430 5.091 4.660 0.002 0.000 0.287 26 W C 1.528 177.676 176.519 -0.619 0.000 1.288 26 W CA 0.096 57.097 57.345 -0.572 0.000 1.725 26 W CB -1.307 27.625 29.460 -0.881 0.000 1.103 26 W HN 0.325 nan 8.180 nan 0.000 0.670 27 G N 1.435 110.141 108.800 -0.156 0.000 2.323 27 G HA2 -0.078 3.884 3.960 0.002 0.000 0.292 27 G HA3 -0.078 3.884 3.960 0.002 0.000 0.292 27 G C 0.505 175.349 174.900 -0.092 0.000 1.040 27 G CA 0.118 45.148 45.100 -0.117 0.000 0.942 27 G HN 0.439 nan 8.290 nan 0.000 0.506 28 A N 0.014 122.794 122.820 -0.068 0.000 2.440 28 A HA 0.564 4.885 4.320 0.002 0.000 0.251 28 A C 1.230 178.868 177.584 0.090 0.000 1.089 28 A CA 0.596 52.710 52.037 0.129 0.000 0.779 28 A CB 0.435 19.594 19.000 0.265 0.000 1.022 28 A HN 0.739 nan 8.150 nan 0.000 0.492 29 D N 0.477 120.940 120.400 0.105 0.000 2.441 29 D HA 0.393 5.034 4.640 0.002 0.000 0.210 29 D C 0.248 176.572 176.300 0.040 0.000 1.102 29 D CA 0.747 54.779 54.000 0.054 0.000 0.840 29 D CB 0.195 41.019 40.800 0.040 0.000 0.990 29 D HN 0.593 nan 8.370 nan 0.000 0.505 30 A N 0.247 123.076 122.820 0.015 0.000 2.435 30 A HA 0.728 5.050 4.320 0.002 0.000 0.304 30 A C -1.102 176.419 177.584 -0.107 0.000 1.064 30 A CA -0.766 51.215 52.037 -0.092 0.000 0.727 30 A CB 1.479 20.280 19.000 -0.331 0.000 1.284 30 A HN 0.137 nan 8.150 nan 0.000 0.415 31 I N 1.026 121.535 120.570 -0.102 0.000 2.545 31 I HA 0.439 4.610 4.170 0.002 0.000 0.292 31 I C -0.022 176.059 176.117 -0.060 0.000 1.040 31 I CA -0.500 60.773 61.300 -0.044 0.000 1.068 31 I CB 2.199 40.219 38.000 0.034 0.000 1.251 31 I HN 0.650 nan 8.210 nan 0.000 0.424 32 R N 3.918 124.395 120.500 -0.039 0.000 2.255 32 R HA 0.320 4.662 4.340 0.002 0.000 0.326 32 R C -0.251 176.095 176.300 0.077 0.000 0.986 32 R CA -0.533 55.585 56.100 0.030 0.000 0.847 32 R CB 1.338 31.640 30.300 0.003 0.000 1.111 32 R HN 0.606 nan 8.270 nan 0.000 0.452 33 N N 0.467 119.231 118.700 0.107 0.000 2.371 33 N HA 0.074 4.815 4.740 0.002 0.000 0.243 33 N C -0.587 174.981 175.510 0.098 0.000 1.287 33 N CA 0.511 53.625 53.050 0.106 0.000 0.911 33 N CB 0.673 39.234 38.487 0.123 0.000 1.142 33 N HN 0.345 nan 8.380 nan 0.000 0.451 44 L N 1.457 122.693 121.223 0.021 0.000 2.349 44 L HA -0.116 4.225 4.340 0.002 0.000 0.220 44 L C 2.425 179.301 176.870 0.009 0.000 1.130 44 L CA 1.798 56.649 54.840 0.017 0.000 0.791 44 L CB -0.551 41.516 42.059 0.013 0.000 0.918 44 L HN 0.572 nan 8.230 nan 0.000 0.444 45 A N -0.258 122.564 122.820 0.004 0.000 2.119 45 A HA 0.010 4.331 4.320 0.002 0.000 0.216 45 A C 2.126 179.708 177.584 -0.005 0.000 1.152 45 A CA 0.494 52.529 52.037 -0.003 0.000 0.708 45 A CB -0.308 18.688 19.000 -0.007 0.000 0.805 45 A HN 0.370 nan 8.150 nan 0.000 0.460 46 L N -1.046 120.175 121.223 -0.003 0.000 2.456 46 L HA 0.031 4.373 4.340 0.002 0.000 0.224 46 L C 1.825 178.693 176.870 -0.002 0.000 1.148 46 L CA 0.789 55.624 54.840 -0.007 0.000 0.825 46 L CB -0.264 41.790 42.059 -0.009 0.000 0.937 46 L HN 0.575 nan 8.230 nan 0.000 0.450 47 G N -0.708 108.094 108.800 0.004 0.000 2.143 47 G HA2 -0.234 3.728 3.960 0.002 0.000 0.249 47 G HA3 -0.234 3.728 3.960 0.002 0.000 0.249 47 G C 0.217 175.127 174.900 0.017 0.000 0.981 47 G CA -0.116 44.989 45.100 0.008 0.000 0.665 47 G HN 0.143 nan 8.290 nan 0.000 0.528 48 K N 0.363 120.776 120.400 0.023 0.000 2.126 48 K HA 0.372 4.693 4.320 0.002 0.000 0.257 48 K C 0.707 177.339 176.600 0.054 0.000 1.007 48 K CA -0.696 55.611 56.287 0.033 0.000 0.928 48 K CB 0.719 33.237 32.500 0.031 0.000 1.013 48 K HN 0.292 nan 8.250 nan 0.000 0.473 49 K N 1.968 122.413 120.400 0.075 0.000 2.447 49 K HA 0.058 4.379 4.320 0.002 0.000 0.281 49 K C -0.211 176.493 176.600 0.174 0.000 1.031 49 K CA -0.092 56.275 56.287 0.133 0.000 1.019 49 K CB 0.317 32.928 32.500 0.184 0.000 0.918 49 K HN 0.316 nan 8.250 nan 0.000 0.476 50 I N 5.882 126.564 120.570 0.187 0.000 2.315 50 I HA 0.118 4.290 4.170 0.002 0.000 0.291 50 I C -0.321 176.000 176.117 0.340 0.000 1.006 50 I CA -0.567 60.851 61.300 0.197 0.000 1.265 50 I CB 0.329 38.395 38.000 0.110 0.000 1.387 50 I HN 0.429 nan 8.210 nan 0.000 0.475 51 Y N 4.908 125.248 120.300 0.067 0.000 2.334 51 Y HA 0.408 4.960 4.550 0.002 0.000 0.328 51 Y C 0.689 176.629 175.900 0.067 0.000 1.130 51 Y CA -0.990 57.149 58.100 0.065 0.000 1.163 51 Y CB 0.939 39.432 38.460 0.054 0.000 1.207 51 Y HN 0.450 nan 8.280 nan 0.000 0.471 52 N N 1.101 119.930 118.700 0.215 0.000 2.371 52 N HA 0.534 5.275 4.740 0.002 0.000 0.291 52 N C -1.136 174.398 175.510 0.041 0.000 1.053 52 N CA -0.474 52.690 53.050 0.190 0.000 0.870 52 N CB 2.283 40.974 38.487 0.341 0.000 1.503 52 N HN 0.743 nan 8.380 nan 0.000 0.485 53 A N 2.443 125.214 122.820 -0.081 0.000 2.425 53 A HA 0.318 4.640 4.320 0.002 0.000 0.249 53 A C -1.069 176.092 177.584 -0.705 0.000 1.084 53 A CA 0.254 52.048 52.037 -0.406 0.000 0.781 53 A CB 0.117 18.865 19.000 -0.420 0.000 1.019 53 A HN 0.661 nan 8.150 nan 0.000 0.490 54 Y N 0.959 120.605 120.300 -1.089 0.000 2.442 54 Y HA 0.583 5.134 4.550 0.002 0.000 0.344 54 Y C -1.440 173.887 175.900 -0.957 0.000 0.976 54 Y CA -1.031 56.405 58.100 -1.107 0.000 1.040 54 Y CB 1.760 39.531 38.460 -1.148 0.000 1.228 54 Y HN 0.541 nan 8.280 nan 0.000 0.451 55 F N 7.436 126.984 119.950 -0.671 0.000 2.453 55 F HA 0.409 4.938 4.527 0.002 0.000 0.358 55 F C -1.985 173.602 175.800 -0.355 0.000 1.129 55 F CA -2.656 55.114 58.000 -0.383 0.000 1.200 55 F CB 0.856 39.677 39.000 -0.300 0.000 1.431 55 F HN 0.402 nan 8.300 nan 0.000 0.503 56 P HA -0.171 nan 4.420 nan 0.000 0.216 56 P C 1.419 178.770 177.300 0.085 0.000 1.150 56 P CA 1.796 64.972 63.100 0.127 0.000 0.843 56 P CB 0.080 31.828 31.700 0.080 0.000 0.787 57 T N -4.281 110.184 114.554 -0.148 0.000 3.134 57 T HA 0.285 4.636 4.350 0.002 0.000 0.260 57 T C 0.560 174.527 174.700 -1.222 0.000 1.027 57 T CA -0.542 61.196 62.100 -0.603 0.000 0.913 57 T CB -0.229 68.462 68.868 -0.295 0.000 1.046 57 T HN 0.227 nan 8.240 nan 0.000 0.553 58 R N -1.002 119.117 120.500 -0.635 0.000 3.015 58 R HA 0.749 5.090 4.340 0.002 0.000 0.258 58 R C -0.093 176.292 176.300 0.141 0.000 1.172 58 R CA -0.649 55.274 56.100 -0.296 0.000 1.003 58 R CB 0.002 30.201 30.300 -0.168 0.000 1.326 58 R HN 0.355 nan 8.270 nan 0.000 0.449 59 A N -0.304 122.579 122.820 0.105 0.000 2.945 59 A HA -0.145 4.176 4.320 0.002 0.000 0.251 59 A C -0.496 176.941 177.584 -0.245 0.000 1.355 59 A CA 1.313 53.317 52.037 -0.055 0.000 0.905 59 A CB -2.441 16.477 19.000 -0.136 0.000 1.104 59 A HN 0.729 nan 8.150 nan 0.000 0.733 60 H N -0.903 118.449 119.070 0.470 0.000 2.823 60 H HA 0.168 4.726 4.556 0.002 0.000 0.222 60 H C 0.820 176.316 175.328 0.281 0.000 1.414 60 H CA -0.204 56.086 56.048 0.403 0.000 1.289 60 H CB -0.045 30.031 29.762 0.523 0.000 1.970 60 H HN 0.400 nan 8.280 nan 0.000 0.517 61 N N 1.163 120.023 118.700 0.268 0.000 2.192 61 N HA -0.177 4.564 4.740 0.002 0.000 0.188 61 N C 2.063 177.620 175.510 0.079 0.000 1.013 61 N CA 1.141 54.283 53.050 0.153 0.000 0.863 61 N CB 0.229 38.764 38.487 0.081 0.000 0.990 61 N HN 0.647 nan 8.380 nan 0.000 0.430 62 E N -0.016 120.256 120.200 0.120 0.000 2.204 62 E HA -0.202 4.150 4.350 0.002 0.000 0.195 62 E C 1.722 178.330 176.600 0.012 0.000 0.990 62 E CA 0.705 57.150 56.400 0.075 0.000 0.821 62 E CB -0.642 29.144 29.700 0.143 0.000 0.750 62 E HN 0.638 nan 8.360 nan 0.000 0.477 63 W N 1.019 122.170 121.300 -0.249 0.000 2.560 63 W HA 0.014 4.676 4.660 0.002 0.000 0.303 63 W C 1.897 178.230 176.519 -0.310 0.000 1.151 63 W CA 0.532 57.554 57.345 -0.538 0.000 1.426 63 W CB -0.298 28.223 29.460 -1.566 0.000 1.135 63 W HN 0.078 nan 8.180 nan 0.000 0.522 64 I N 2.427 122.789 120.570 -0.347 0.000 2.546 64 I HA -0.206 3.966 4.170 0.002 0.000 0.255 64 I C 2.548 178.503 176.117 -0.270 0.000 1.163 64 I CA 2.340 63.452 61.300 -0.313 0.000 1.457 64 I CB -0.614 37.468 38.000 0.137 0.000 1.092 64 I HN 0.046 nan 8.210 nan 0.000 0.434 65 T N -1.495 112.935 114.554 -0.207 0.000 2.897 65 T HA -0.151 4.200 4.350 0.002 0.000 0.271 65 T C 1.696 176.206 174.700 -0.315 0.000 1.084 65 T CA 1.353 63.329 62.100 -0.207 0.000 1.123 65 T CB -0.701 68.080 68.868 -0.145 0.000 0.865 65 T HN 0.400 nan 8.240 nan 0.000 0.496 66 L N -0.048 120.896 121.223 -0.466 0.000 2.567 66 L HA 0.241 4.583 4.340 0.002 0.000 0.225 66 L C 0.870 177.097 176.870 -1.073 0.000 1.119 66 L CA 0.381 54.803 54.840 -0.697 0.000 0.871 66 L CB -0.121 41.487 42.059 -0.752 0.000 1.036 66 L HN 0.425 nan 8.230 nan 0.000 0.459 67 H N -0.709 118.007 119.070 -0.591 0.000 2.947 67 H HA 0.200 4.757 4.556 0.002 0.000 0.222 67 H C 0.847 175.962 175.328 -0.356 0.000 1.414 67 H CA -0.288 55.457 56.048 -0.504 0.000 1.224 67 H CB 0.790 30.128 29.762 -0.708 0.000 2.100 67 H HN 0.080 nan 8.280 nan 0.000 0.524 68 M N 0.940 120.383 119.600 -0.261 0.000 2.539 68 M HA -0.088 4.394 4.480 0.002 0.000 0.261 68 M C 1.192 177.254 176.300 -0.397 0.000 1.069 68 M CA 1.053 56.180 55.300 -0.289 0.000 1.081 68 M CB -0.585 31.821 32.600 -0.324 0.000 1.412 68 M HN 0.394 nan 8.290 nan 0.000 0.482 69 D N -0.592 119.636 120.400 -0.286 0.000 2.328 69 D HA -0.069 4.572 4.640 0.002 0.000 0.226 69 D C 0.639 176.871 176.300 -0.114 0.000 1.066 69 D CA 0.358 54.252 54.000 -0.177 0.000 0.861 69 D CB -0.384 40.396 40.800 -0.034 0.000 0.912 69 D HN 0.407 nan 8.370 nan 0.000 0.521 70 E N 0.348 120.462 120.200 -0.144 0.000 2.548 70 E HA 0.049 4.400 4.350 0.002 0.000 0.206 70 E C 0.210 176.953 176.600 0.239 0.000 1.005 70 E CA -0.135 56.182 56.400 -0.139 0.000 0.951 70 E CB 0.575 30.261 29.700 -0.024 0.000 1.035 70 E HN 0.328 nan 8.360 nan 0.000 0.470 71 T N 0.532 115.208 114.554 0.202 0.000 2.900 71 T HA 0.173 4.525 4.350 0.002 0.000 0.307 71 T C -2.151 172.757 174.700 0.346 0.000 1.065 71 T CA -1.625 60.640 62.100 0.276 0.000 1.105 71 T CB 0.857 69.838 68.868 0.189 0.000 0.979 71 T HN -0.174 nan 8.240 nan 0.000 0.544 72 P HA 0.194 nan 4.420 nan 0.000 0.271 72 P C -0.707 176.702 177.300 0.182 0.000 1.233 72 P CA -0.306 62.951 63.100 0.261 0.000 0.789 72 P CB 0.512 32.345 31.700 0.221 0.000 0.951 73 Q N -0.783 119.060 119.800 0.072 0.000 2.528 73 Q HA 0.746 5.087 4.340 0.002 0.000 0.289 73 Q C -1.417 174.456 176.000 -0.212 0.000 1.091 73 Q CA -1.127 54.612 55.803 -0.107 0.000 0.797 73 Q CB 2.733 31.326 28.738 -0.242 0.000 1.466 73 Q HN 0.241 nan 8.270 nan 0.000 0.436 74 V N 0.631 120.339 119.914 -0.344 0.000 2.932 74 V HA 0.410 4.531 4.120 0.002 0.000 0.307 74 V C -1.962 173.812 176.094 -0.534 0.000 1.147 74 V CA -0.526 61.553 62.300 -0.369 0.000 0.951 74 V CB 1.711 33.399 31.823 -0.224 0.000 1.031 74 V HN 0.749 nan 8.190 nan 0.000 0.426 75 Y N 6.001 126.045 120.300 -0.427 0.000 2.402 75 Y HA 0.505 5.056 4.550 0.002 0.000 0.333 75 Y C 0.399 176.071 175.900 -0.381 0.000 1.076 75 Y CA 0.082 57.914 58.100 -0.446 0.000 1.299 75 Y CB 1.022 39.273 38.460 -0.349 0.000 1.197 75 Y HN 0.451 nan 8.280 nan 0.000 0.517 76 L N 5.139 126.024 121.223 -0.563 0.000 2.334 76 L HA 0.458 4.799 4.340 0.002 0.000 0.276 76 L C -1.021 175.648 176.870 -0.335 0.000 1.014 76 L CA -1.171 53.313 54.840 -0.593 0.000 0.815 76 L CB 1.773 42.904 42.059 -1.547 0.000 1.268 76 L HN 0.442 nan 8.230 nan 0.000 0.428 77 L N 2.327 123.642 121.223 0.153 0.000 2.296 77 L HA 0.486 4.828 4.340 0.002 0.000 0.286 77 L C 0.520 177.619 176.870 0.382 0.000 1.023 77 L CA 0.070 55.002 54.840 0.152 0.000 0.812 77 L CB 1.771 43.821 42.059 -0.015 0.000 1.223 77 L HN 0.750 nan 8.230 nan 0.000 0.421 78 T N 0.520 115.269 114.554 0.325 0.000 2.726 78 T HA 0.256 4.607 4.350 0.002 0.000 0.294 78 T C 0.191 174.965 174.700 0.123 0.000 1.013 78 T CA -0.724 61.555 62.100 0.298 0.000 0.996 78 T CB 0.286 69.282 68.868 0.214 0.000 1.016 78 T HN 0.561 nan 8.240 nan 0.000 0.529 79 D N 0.575 121.006 120.400 0.051 0.000 2.390 79 D HA 0.130 4.771 4.640 0.002 0.000 0.236 79 D C 0.410 176.733 176.300 0.038 0.000 1.189 79 D CA 0.165 54.175 54.000 0.018 0.000 0.887 79 D CB 0.338 41.136 40.800 -0.004 0.000 1.198 79 D HN 0.440 nan 8.370 nan 0.000 0.444 80 R N 1.131 121.648 120.500 0.029 0.000 2.316 80 R HA 0.251 4.593 4.340 0.002 0.000 0.314 80 R C -0.236 176.096 176.300 0.055 0.000 1.069 80 R CA -0.287 55.835 56.100 0.036 0.000 0.959 80 R CB 0.579 30.890 30.300 0.018 0.000 0.987 80 R HN 0.267 nan 8.270 nan 0.000 0.446 81 I N 4.654 125.276 120.570 0.086 0.000 2.378 81 I HA 0.160 4.331 4.170 0.002 0.000 0.291 81 I C -0.199 176.004 176.117 0.143 0.000 0.992 81 I CA -1.122 60.236 61.300 0.096 0.000 1.154 81 I CB 1.287 39.337 38.000 0.083 0.000 1.315 81 I HN 0.447 nan 8.210 nan 0.000 0.448 82 L N 6.552 127.844 121.223 0.115 0.000 2.313 82 L HA 0.538 4.880 4.340 0.002 0.000 0.282 82 L C 0.479 177.399 176.870 0.084 0.000 1.092 82 L CA 0.102 55.023 54.840 0.134 0.000 0.831 82 L CB 0.724 42.867 42.059 0.140 0.000 1.159 82 L HN 0.728 nan 8.230 nan 0.000 0.442 83 A N 4.547 127.435 122.820 0.114 0.000 2.388 83 A HA 0.398 4.720 4.320 0.002 0.000 0.257 83 A C 0.538 177.898 177.584 -0.373 0.000 1.095 83 A CA -0.270 51.727 52.037 -0.068 0.000 0.791 83 A CB 0.153 19.147 19.000 -0.011 0.000 1.029 83 A HN 0.883 nan 8.150 nan 0.000 0.489 84 E N 0.620 120.529 120.200 -0.485 0.000 2.583 84 E HA 0.178 4.529 4.350 0.002 0.000 0.213 84 E C -0.070 176.125 176.600 -0.674 0.000 0.989 84 E CA 0.517 56.362 56.400 -0.925 0.000 0.991 84 E CB 0.365 29.743 29.700 -0.537 0.000 1.040 84 E HN 0.784 nan 8.360 nan 0.000 0.481 85 S N 0.015 115.453 115.700 -0.437 0.000 2.694 85 S HA 0.042 4.513 4.470 0.002 0.000 0.273 85 S C -0.213 174.259 174.600 -0.214 0.000 1.180 85 S CA -0.552 57.488 58.200 -0.267 0.000 0.864 85 S CB 0.730 63.833 63.200 -0.161 0.000 1.198 85 S HN 0.005 nan 8.310 nan 0.000 0.499 86 D N 1.015 121.328 120.400 -0.144 0.000 2.363 86 D HA 0.126 4.768 4.640 0.002 0.000 0.226 86 D C 0.803 177.025 176.300 -0.130 0.000 1.020 86 D CA 0.930 54.854 54.000 -0.125 0.000 0.892 86 D CB -0.668 40.084 40.800 -0.080 0.000 0.900 86 D HN 0.775 nan 8.370 nan 0.000 0.531 87 T N -3.319 111.157 114.554 -0.131 0.000 2.924 87 T HA 0.656 5.008 4.350 0.002 0.000 0.291 87 T C -0.588 174.029 174.700 -0.139 0.000 1.045 87 T CA -1.010 61.020 62.100 -0.116 0.000 1.015 87 T CB 2.335 71.167 68.868 -0.060 0.000 1.103 87 T HN 0.018 nan 8.240 nan 0.000 0.496 88 V N 0.768 120.608 119.914 -0.124 0.000 2.924 88 V HA 0.454 4.575 4.120 0.002 0.000 0.300 88 V C -2.085 173.988 176.094 -0.034 0.000 1.227 88 V CA -0.774 61.463 62.300 -0.104 0.000 0.954 88 V CB 2.287 33.998 31.823 -0.187 0.000 1.055 88 V HN 1.088 nan 8.190 nan 0.000 0.429 89 D N 6.020 126.425 120.400 0.008 0.000 2.217 89 D HA 0.554 5.195 4.640 0.002 0.000 0.243 89 D C -0.448 175.837 176.300 -0.024 0.000 1.054 89 D CA 0.157 54.166 54.000 0.016 0.000 0.838 89 D CB 2.203 43.053 40.800 0.084 0.000 1.162 89 D HN 0.525 nan 8.370 nan 0.000 0.472 90 I N 3.251 123.780 120.570 -0.068 0.000 2.390 90 I HA 0.211 4.382 4.170 0.002 0.000 0.283 90 I C -2.368 173.702 176.117 -0.077 0.000 1.016 90 I CA -2.150 59.119 61.300 -0.052 0.000 1.151 90 I CB 1.743 39.714 38.000 -0.049 0.000 1.293 90 I HN -0.092 nan 8.210 nan 0.000 0.458 91 P HA 0.116 nan 4.420 nan 0.000 0.267 91 P C 0.599 177.870 177.300 -0.048 0.000 1.209 91 P CA 0.034 63.110 63.100 -0.040 0.000 0.763 91 P CB 0.750 32.450 31.700 0.000 0.000 0.816 92 L N 2.115 123.258 121.223 -0.133 0.000 2.162 92 L HA 0.031 4.372 4.340 0.002 0.000 0.205 92 L C 1.760 178.655 176.870 0.042 0.000 1.086 92 L CA 1.298 55.966 54.840 -0.286 0.000 0.778 92 L CB -0.346 41.235 42.059 -0.796 0.000 0.928 92 L HN 0.404 nan 8.230 nan 0.000 0.446 93 M N -1.098 118.555 119.600 0.089 0.000 2.313 93 M HA 0.073 4.554 4.480 0.002 0.000 0.273 93 M C 1.560 178.006 176.300 0.242 0.000 1.049 93 M CA 0.463 55.927 55.300 0.274 0.000 1.004 93 M CB 0.228 32.935 32.600 0.178 0.000 1.461 93 M HN 0.183 nan 8.290 nan 0.000 0.514 94 E N 0.503 120.781 120.200 0.129 0.000 2.265 94 E HA -0.125 4.226 4.350 0.002 0.000 0.196 94 E C 1.565 178.176 176.600 0.019 0.000 0.996 94 E CA 1.559 58.001 56.400 0.070 0.000 0.832 94 E CB 0.105 29.827 29.700 0.036 0.000 0.756 94 E HN 0.438 nan 8.360 nan 0.000 0.491 95 S N -0.536 115.116 115.700 -0.079 0.000 2.540 95 S HA 0.141 4.612 4.470 0.002 0.000 0.218 95 S C 0.141 174.492 174.600 -0.415 0.000 0.977 95 S CA -0.523 57.499 58.200 -0.297 0.000 0.918 95 S CB 0.108 63.028 63.200 -0.467 0.000 0.806 95 S HN -0.044 nan 8.310 nan 0.000 0.496 96 F N 0.887 120.930 119.950 0.155 0.000 2.556 96 F HA 0.570 5.098 4.527 0.002 0.000 0.327 96 F C -0.222 175.749 175.800 0.285 0.000 1.059 96 F CA -1.942 56.178 58.000 0.199 0.000 0.953 96 F CB 0.744 39.865 39.000 0.201 0.000 1.227 96 F HN 0.024 nan 8.300 nan 0.000 0.478 97 F N 2.214 122.369 119.950 0.342 0.000 2.466 97 F HA 0.402 4.931 4.527 0.003 0.000 0.363 97 F C 0.956 176.902 175.800 0.243 0.000 1.109 97 F CA -1.426 56.729 58.000 0.259 0.000 1.161 97 F CB 0.441 39.601 39.000 0.267 0.000 1.117 97 F HN 0.560 nan 8.300 nan 0.000 0.539 98 A N 4.947 127.935 122.820 0.279 0.000 2.119 98 A HA -0.053 4.269 4.320 0.002 0.000 0.217 98 A C 1.884 179.404 177.584 -0.107 0.000 1.153 98 A CA 0.892 52.986 52.037 0.094 0.000 0.692 98 A CB -0.417 18.665 19.000 0.136 0.000 0.799 98 A HN 0.708 nan 8.150 nan 0.000 0.458 99 E N -0.550 119.370 120.200 -0.466 0.000 2.347 99 E HA -0.156 4.196 4.350 0.002 0.000 0.196 99 E C 1.815 178.265 176.600 -0.251 0.000 1.008 99 E CA 0.945 57.070 56.400 -0.457 0.000 0.852 99 E CB -0.042 29.262 29.700 -0.660 0.000 0.783 99 E HN 0.874 nan 8.360 nan 0.000 0.505 100 Q N -0.201 119.407 119.800 -0.321 0.000 2.396 100 Q HA 0.138 4.480 4.340 0.002 0.000 0.220 100 Q C 0.015 176.037 176.000 0.037 0.000 0.900 100 Q CA 0.207 55.991 55.803 -0.031 0.000 0.925 100 Q CB 0.697 29.427 28.738 -0.014 0.000 1.065 100 Q HN 0.090 nan 8.270 nan 0.000 0.535 101 L N 1.100 122.347 121.223 0.039 0.000 2.431 101 L HA 0.540 4.881 4.340 0.002 0.000 0.266 101 L C -1.032 175.892 176.870 0.090 0.000 0.978 101 L CA -0.672 54.198 54.840 0.050 0.000 0.822 101 L CB 2.352 44.411 42.059 -0.001 0.000 1.310 101 L HN -0.182 nan 8.230 nan 0.000 0.409 102 K N 3.446 123.921 120.400 0.125 0.000 2.507 102 K HA 0.551 4.872 4.320 0.002 0.000 0.251 102 K C -2.752 173.975 176.600 0.211 0.000 0.943 102 K CA -1.720 54.668 56.287 0.168 0.000 0.794 102 K CB 2.623 35.234 32.500 0.186 0.000 1.188 102 K HN 0.108 nan 8.250 nan 0.000 0.428 103 P HA -0.035 nan 4.420 nan 0.000 0.265 103 P C -1.124 176.332 177.300 0.260 0.000 1.193 103 P CA -0.210 63.032 63.100 0.236 0.000 0.765 103 P CB 0.420 32.171 31.700 0.084 0.000 0.823 104 N N 3.074 121.877 118.700 0.172 0.000 2.399 104 N HA 0.044 4.785 4.740 0.002 0.000 0.259 104 N C 0.646 176.324 175.510 0.279 0.000 1.160 104 N CA 0.210 53.266 53.050 0.010 0.000 0.946 104 N CB 0.015 38.208 38.487 -0.491 0.000 1.156 104 N HN 0.232 nan 8.380 nan 0.000 0.489 105 R N 1.952 122.603 120.500 0.252 0.000 2.280 105 R HA 0.072 4.413 4.340 0.002 0.000 0.195 105 R C 0.270 176.626 176.300 0.094 0.000 0.935 105 R CA 0.185 56.378 56.100 0.154 0.000 1.033 105 R CB 0.503 30.886 30.300 0.138 0.000 0.964 105 R HN 0.557 nan 8.270 nan 0.000 0.489 106 D N 1.357 121.839 120.400 0.137 0.000 2.123 106 D HA -0.045 4.596 4.640 0.002 0.000 0.200 106 D C 0.511 176.846 176.300 0.058 0.000 0.976 106 D CA 0.771 54.832 54.000 0.102 0.000 0.831 106 D CB 0.120 41.014 40.800 0.156 0.000 0.974 106 D HN 0.097 nan 8.370 nan 0.000 0.469 107 A N 1.447 124.282 122.820 0.024 0.000 2.269 107 A HA 0.121 4.442 4.320 0.002 0.000 0.302 107 A C -0.250 177.390 177.584 0.092 0.000 1.266 107 A CA -0.490 51.550 52.037 0.005 0.000 0.894 107 A CB 0.507 19.349 19.000 -0.263 0.000 1.147 107 A HN -0.134 nan 8.150 nan 0.000 0.537 108 D N 3.992 124.502 120.400 0.183 0.000 2.899 108 D HA -0.031 4.611 4.640 0.002 0.000 0.254 108 D C -1.446 174.849 176.300 -0.010 0.000 1.320 108 D CA -0.718 53.334 54.000 0.087 0.000 0.929 108 D CB 0.589 41.452 40.800 0.104 0.000 1.148 108 D HN 0.215 nan 8.370 nan 0.000 0.571 109 P HA -0.132 nan 4.420 nan 0.000 0.218 109 P C 0.602 177.744 177.300 -0.263 0.000 1.148 109 P CA 1.192 63.739 63.100 -0.923 0.000 0.822 109 P CB 0.092 30.958 31.700 -1.390 0.000 0.784 110 H N -1.447 117.510 119.070 -0.188 0.000 2.524 110 H HA 0.001 4.559 4.556 0.002 0.000 0.282 110 H C 2.010 177.316 175.328 -0.036 0.000 1.016 110 H CA 1.120 57.070 56.048 -0.164 0.000 1.270 110 H CB -0.046 29.494 29.762 -0.370 0.000 1.394 110 H HN 0.110 nan 8.280 nan 0.000 0.568 111 K N -0.338 120.061 120.400 -0.001 0.000 2.166 111 K HA -0.051 4.270 4.320 0.002 0.000 0.201 111 K C 0.568 177.038 176.600 -0.217 0.000 1.052 111 K CA 0.852 57.020 56.287 -0.199 0.000 0.969 111 K CB 0.314 32.541 32.500 -0.456 0.000 0.761 111 K HN 0.243 nan 8.250 nan 0.000 0.459 112 Y N -1.361 119.072 120.300 0.221 0.000 2.442 112 Y HA 0.178 4.730 4.550 0.002 0.000 0.250 112 Y C 0.058 176.364 175.900 0.677 0.000 1.113 112 Y CA -0.603 57.727 58.100 0.384 0.000 1.273 112 Y CB 0.466 39.127 38.460 0.336 0.000 1.138 112 Y HN 0.015 nan 8.280 nan 0.000 0.522 113 W N 0.757 122.288 121.300 0.385 0.000 2.578 113 W HA 0.624 5.286 4.660 0.002 0.000 0.364 113 W C -0.393 176.256 176.519 0.216 0.000 1.144 113 W CA -1.862 55.668 57.345 0.308 0.000 1.242 113 W CB 0.511 30.124 29.460 0.256 0.000 1.382 113 W HN -0.298 nan 8.180 nan 0.000 0.625 114 E N 0.327 120.694 120.200 0.279 0.000 2.290 114 E HA 0.427 4.779 4.350 0.002 0.000 0.274 114 E C -1.546 175.012 176.600 -0.071 0.000 0.889 114 E CA -0.612 55.868 56.400 0.133 0.000 0.760 114 E CB 2.699 32.430 29.700 0.053 0.000 1.206 114 E HN 0.063 nan 8.360 nan 0.000 0.419 115 V N 3.597 123.404 119.914 -0.178 0.000 2.439 115 V HA 0.370 4.491 4.120 0.002 0.000 0.282 115 V C -0.251 175.849 176.094 0.009 0.000 1.039 115 V CA -0.583 61.590 62.300 -0.212 0.000 0.913 115 V CB 1.458 33.008 31.823 -0.456 0.000 0.983 115 V HN 0.399 nan 8.190 nan 0.000 0.460 116 V N 3.384 123.323 119.914 0.041 0.000 2.540 116 V HA 0.350 4.471 4.120 0.002 0.000 0.302 116 V C -0.298 175.832 176.094 0.060 0.000 1.035 116 V CA -0.697 61.635 62.300 0.053 0.000 0.873 116 V CB 2.077 33.894 31.823 -0.010 0.000 0.992 116 V HN 0.900 nan 8.190 nan 0.000 0.428 117 D N 4.402 124.816 120.400 0.023 0.000 2.359 117 D HA 0.130 4.771 4.640 0.002 0.000 0.250 117 D C 1.245 177.411 176.300 -0.224 0.000 1.264 117 D CA -0.213 53.615 54.000 -0.286 0.000 0.911 117 D CB 0.774 41.525 40.800 -0.082 0.000 1.056 117 D HN 0.315 nan 8.370 nan 0.000 0.499 118 R N 2.190 122.534 120.500 -0.260 0.000 2.189 118 R HA -0.051 4.291 4.340 0.002 0.000 0.223 118 R C 1.620 177.814 176.300 -0.177 0.000 1.092 118 R CA 0.694 56.695 56.100 -0.165 0.000 0.989 118 R CB -0.590 29.635 30.300 -0.125 0.000 0.876 118 R HN 0.438 nan 8.270 nan 0.000 0.457 119 T N 0.254 114.651 114.554 -0.261 0.000 2.867 119 T HA -0.098 4.253 4.350 0.002 0.000 0.268 119 T C 1.784 176.334 174.700 -0.251 0.000 1.057 119 T CA 1.967 63.881 62.100 -0.309 0.000 1.136 119 T CB -0.080 68.438 68.868 -0.583 0.000 0.874 119 T HN 0.496 nan 8.240 nan 0.000 0.466 120 T N -2.280 112.169 114.554 -0.174 0.000 2.990 120 T HA 0.465 4.816 4.350 0.002 0.000 0.250 120 T C 1.858 176.531 174.700 -0.046 0.000 1.041 120 T CA 0.813 62.867 62.100 -0.077 0.000 1.010 120 T CB 0.283 69.157 68.868 0.009 0.000 1.003 120 T HN 0.459 nan 8.240 nan 0.000 0.499 121 G N 1.468 110.234 108.800 -0.057 0.000 2.199 121 G HA2 -0.215 3.746 3.960 0.002 0.000 0.254 121 G HA3 -0.215 3.746 3.960 0.002 0.000 0.254 121 G C -0.123 174.770 174.900 -0.010 0.000 0.982 121 G CA 0.055 45.133 45.100 -0.038 0.000 0.632 121 G HN 0.603 nan 8.290 nan 0.000 0.529 122 E N 0.432 120.641 120.200 0.014 0.000 2.354 122 E HA 0.408 4.759 4.350 0.002 0.000 0.269 122 E C 0.553 177.194 176.600 0.068 0.000 1.036 122 E CA -0.425 56.003 56.400 0.048 0.000 0.876 122 E CB 1.974 31.718 29.700 0.074 0.000 1.009 122 E HN 0.157 nan 8.360 nan 0.000 0.416 123 V N 3.329 123.288 119.914 0.075 0.000 2.508 123 V HA -0.005 4.117 4.120 0.002 0.000 0.281 123 V C 0.500 176.686 176.094 0.152 0.000 1.041 123 V CA -0.390 61.972 62.300 0.104 0.000 1.016 123 V CB 1.127 33.009 31.823 0.098 0.000 0.984 123 V HN 0.375 nan 8.190 nan 0.000 0.478 124 V N 5.008 125.040 119.914 0.197 0.000 2.521 124 V HA 0.028 4.149 4.120 0.002 0.000 0.286 124 V C 0.819 177.090 176.094 0.293 0.000 1.034 124 V CA -0.173 62.274 62.300 0.244 0.000 1.045 124 V CB 0.796 32.779 31.823 0.266 0.000 0.974 124 V HN 0.913 nan 8.190 nan 0.000 0.480 125 D N 3.934 124.465 120.400 0.218 0.000 2.658 125 D HA -0.098 4.543 4.640 0.002 0.000 0.230 125 D C 1.446 177.882 176.300 0.227 0.000 1.118 125 D CA 0.816 54.925 54.000 0.181 0.000 0.848 125 D CB 1.036 41.898 40.800 0.105 0.000 1.160 125 D HN 0.792 nan 8.370 nan 0.000 0.497 126 S N 2.866 118.669 115.700 0.173 0.000 2.547 126 S HA -0.101 4.370 4.470 0.002 0.000 0.235 126 S C 1.782 176.228 174.600 -0.256 0.000 0.980 126 S CA 0.703 58.875 58.200 -0.047 0.000 0.941 126 S CB 0.046 63.300 63.200 0.090 0.000 0.763 126 S HN 0.504 nan 8.310 nan 0.000 0.532 127 A N 2.424 125.170 122.820 -0.123 0.000 2.015 127 A HA 0.025 4.346 4.320 0.002 0.000 0.219 127 A C 1.859 179.404 177.584 -0.064 0.000 1.163 127 A CA 1.221 53.173 52.037 -0.141 0.000 0.646 127 A CB -0.783 18.169 19.000 -0.081 0.000 0.806 127 A HN 0.764 nan 8.150 nan 0.000 0.448 128 N N -0.544 118.180 118.700 0.041 0.000 2.383 128 N HA 0.100 4.841 4.740 0.002 0.000 0.192 128 N C -0.181 175.477 175.510 0.246 0.000 1.141 128 N CA -0.040 53.081 53.050 0.118 0.000 0.851 128 N CB 0.137 38.705 38.487 0.135 0.000 0.976 128 N HN 0.840 nan 8.380 nan 0.000 0.465 129 W N 0.460 121.837 121.300 0.128 0.000 3.107 129 W HA 0.505 5.166 4.660 0.002 0.000 0.331 129 W C -1.249 175.406 176.519 0.227 0.000 1.204 129 W CA -0.931 56.498 57.345 0.139 0.000 1.184 129 W CB 0.648 30.167 29.460 0.098 0.000 1.421 129 W HN -0.253 nan 8.180 nan 0.000 0.544 130 T N 0.492 115.345 114.554 0.498 0.000 2.933 130 T HA 0.506 4.858 4.350 0.002 0.000 0.305 130 T C -1.546 173.399 174.700 0.408 0.000 1.092 130 T CA -0.776 61.533 62.100 0.348 0.000 1.008 130 T CB 2.201 71.199 68.868 0.217 0.000 1.102 130 T HN 0.597 nan 8.240 nan 0.000 0.469 131 L N 2.733 124.142 121.223 0.310 0.000 2.281 131 L HA 0.419 4.760 4.340 0.002 0.000 0.285 131 L C 0.278 177.244 176.870 0.160 0.000 1.074 131 L CA -0.086 54.885 54.840 0.220 0.000 0.817 131 L CB 0.513 42.661 42.059 0.147 0.000 1.168 131 L HN 0.834 nan 8.230 nan 0.000 0.434 132 D N 3.780 124.256 120.400 0.126 0.000 2.533 132 D HA -0.038 4.603 4.640 0.002 0.000 0.236 132 D C 0.845 177.211 176.300 0.110 0.000 1.137 132 D CA 0.711 54.812 54.000 0.167 0.000 0.867 132 D CB 1.678 42.576 40.800 0.164 0.000 1.170 132 D HN 0.846 nan 8.370 nan 0.000 0.474 133 A N 4.105 126.984 122.820 0.099 0.000 2.015 133 A HA -0.151 4.171 4.320 0.002 0.000 0.219 133 A C 1.431 179.050 177.584 0.059 0.000 1.163 133 A CA 1.202 53.279 52.037 0.066 0.000 0.646 133 A CB 0.195 19.226 19.000 0.051 0.000 0.806 133 A HN 0.618 nan 8.150 nan 0.000 0.448 134 D N -1.659 118.780 120.400 0.065 0.000 2.473 134 D HA 0.141 4.782 4.640 0.002 0.000 0.230 134 D C 0.313 176.644 176.300 0.052 0.000 1.097 134 D CA 0.167 54.199 54.000 0.053 0.000 0.861 134 D CB 0.604 41.434 40.800 0.050 0.000 1.114 134 D HN 0.538 nan 8.370 nan 0.000 0.500 135 E N 0.855 121.090 120.200 0.059 0.000 2.288 135 E HA 0.155 4.507 4.350 0.002 0.000 0.268 135 E C -1.116 175.499 176.600 0.025 0.000 0.885 135 E CA -0.616 55.811 56.400 0.044 0.000 0.767 135 E CB 1.837 31.571 29.700 0.056 0.000 1.220 135 E HN -0.238 nan 8.360 nan 0.000 0.427 136 D N 2.390 122.794 120.400 0.006 0.000 2.688 136 D HA 0.146 4.787 4.640 0.002 0.000 0.228 136 D C -1.042 175.209 176.300 -0.082 0.000 1.116 136 D CA 0.451 54.431 54.000 -0.033 0.000 1.023 136 D CB 0.202 40.976 40.800 -0.043 0.000 1.100 136 D HN 0.135 nan 8.370 nan 0.000 0.487 137 T N -0.372 114.128 114.554 -0.090 0.000 2.952 137 T HA 0.317 4.669 4.350 0.002 0.000 0.305 137 T C -0.154 174.392 174.700 -0.256 0.000 1.064 137 T CA -0.572 61.422 62.100 -0.177 0.000 1.008 137 T CB 2.353 71.103 68.868 -0.197 0.000 1.078 137 T HN -0.197 nan 8.240 nan 0.000 0.459 138 V N 4.415 124.189 119.914 -0.233 0.000 2.394 138 V HA 0.367 4.489 4.120 0.002 0.000 0.282 138 V C -0.303 175.649 176.094 -0.237 0.000 1.031 138 V CA -0.822 61.384 62.300 -0.157 0.000 0.881 138 V CB 0.940 32.711 31.823 -0.087 0.000 0.982 138 V HN 0.823 nan 8.190 nan 0.000 0.451 139 H N 3.759 122.908 119.070 0.131 0.000 2.519 139 H HA 0.542 5.100 4.556 0.002 0.000 0.316 139 H C -0.616 174.790 175.328 0.129 0.000 1.065 139 H CA -0.381 55.721 56.048 0.090 0.000 1.264 139 H CB 1.797 31.604 29.762 0.075 0.000 1.413 139 H HN 0.391 nan 8.280 nan 0.000 0.465 140 V N 2.998 122.999 119.914 0.146 0.000 2.555 140 V HA 0.414 4.535 4.120 0.002 0.000 0.302 140 V C 0.251 176.354 176.094 0.015 0.000 1.038 140 V CA -0.759 61.594 62.300 0.089 0.000 0.887 140 V CB 1.631 33.407 31.823 -0.078 0.000 0.991 140 V HN 0.903 nan 8.190 nan 0.000 0.434 141 S N 1.342 117.060 115.700 0.030 0.000 2.704 141 S HA 0.836 5.308 4.470 0.002 0.000 0.296 141 S C 0.681 175.268 174.600 -0.022 0.000 1.138 141 S CA -0.224 57.967 58.200 -0.015 0.000 0.875 141 S CB 1.640 64.843 63.200 0.005 0.000 1.151 141 S HN 2.258 nan 8.310 nan 0.000 0.500 142 G N -0.364 108.415 108.800 -0.035 0.000 2.198 142 G HA2 -0.186 3.775 3.960 0.002 0.000 0.260 142 G HA3 -0.186 3.775 3.960 0.002 0.000 0.260 142 G C 0.131 175.010 174.900 -0.034 0.000 1.025 142 G CA 0.308 45.395 45.100 -0.022 0.000 0.769 142 G HN 1.857 nan 8.290 nan 0.000 0.507 143 V N -2.816 117.039 119.914 -0.097 0.000 3.234 143 V HA 0.944 5.065 4.120 0.002 0.000 0.317 143 V C 0.695 176.734 176.094 -0.092 0.000 1.081 143 V CA -0.492 61.737 62.300 -0.119 0.000 1.037 143 V CB 1.722 33.261 31.823 -0.473 0.000 1.148 143 V HN 1.715 nan 8.190 nan 0.000 0.453 144 A N 1.579 124.360 122.820 -0.065 0.000 2.301 144 A HA 0.831 5.152 4.320 0.002 0.000 0.298 144 A C 0.543 177.976 177.584 -0.251 0.000 1.185 144 A CA -0.105 51.770 52.037 -0.271 0.000 0.830 144 A CB 0.219 18.794 19.000 -0.708 0.000 1.112 144 A HN 2.118 nan 8.150 nan 0.000 0.508 145 A N 1.486 124.163 122.820 -0.239 0.000 2.483 145 A HA 0.412 4.733 4.320 0.002 0.000 0.238 145 A C 0.219 177.655 177.584 -0.247 0.000 1.070 145 A CA 0.840 52.617 52.037 -0.434 0.000 0.770 145 A CB -0.883 17.759 19.000 -0.597 0.000 1.008 145 A HN 1.702 nan 8.150 nan 0.000 0.497 146 W N -1.583 119.809 121.300 0.153 0.000 2.279 146 W HA -0.186 4.475 4.660 0.002 0.000 0.275 146 W C 0.363 177.070 176.519 0.314 0.000 1.083 146 W CA 0.746 58.207 57.345 0.194 0.000 0.504 146 W CB -2.382 27.166 29.460 0.148 0.000 2.112 146 W HN 0.888 nan 8.180 nan 0.000 1.261 147 H N 0.356 119.525 119.070 0.165 0.000 2.525 147 H HA 0.464 5.022 4.556 0.002 0.000 0.340 147 H C 0.265 175.554 175.328 -0.066 0.000 1.168 147 H CA -0.943 55.103 56.048 -0.005 0.000 1.247 147 H CB 1.193 30.860 29.762 -0.158 0.000 1.568 147 H HN -0.056 nan 8.280 nan 0.000 0.536 148 E N 1.407 121.537 120.200 -0.116 0.000 2.216 148 E HA 0.233 4.585 4.350 0.002 0.000 0.279 148 E C -1.228 175.171 176.600 -0.334 0.000 0.997 148 E CA -0.415 55.935 56.400 -0.084 0.000 0.817 148 E CB 1.354 31.025 29.700 -0.049 0.000 1.096 148 E HN 0.380 nan 8.360 nan 0.000 0.393 149 Y N 0.245 120.565 120.300 0.034 0.000 2.499 149 Y HA 0.397 4.949 4.550 0.002 0.000 0.347 149 Y C 0.337 176.233 175.900 -0.007 0.000 0.987 149 Y CA -0.730 57.378 58.100 0.013 0.000 1.044 149 Y CB 2.314 40.776 38.460 0.005 0.000 1.245 149 Y HN 0.443 nan 8.280 nan 0.000 0.461 150 T N -1.377 113.245 114.554 0.113 0.000 2.896 150 T HA 0.791 5.142 4.350 0.002 0.000 0.297 150 T C -1.367 173.337 174.700 0.008 0.000 1.108 150 T CA -0.890 61.243 62.100 0.054 0.000 1.004 150 T CB 1.407 70.288 68.868 0.021 0.000 1.159 150 T HN 0.328 nan 8.240 nan 0.000 0.499 151 V N 1.719 121.634 119.914 0.003 0.000 2.483 151 V HA 0.612 4.733 4.120 0.002 0.000 0.295 151 V C -0.035 176.079 176.094 0.034 0.000 1.035 151 V CA -0.778 61.495 62.300 -0.046 0.000 0.896 151 V CB 1.870 33.631 31.823 -0.103 0.000 0.986 151 V HN 1.081 nan 8.190 nan 0.000 0.447 152 S N 5.380 121.058 115.700 -0.036 0.000 2.448 152 S HA 0.743 5.214 4.470 0.002 0.000 0.320 152 S C -0.638 173.893 174.600 -0.115 0.000 1.071 152 S CA -0.458 57.695 58.200 -0.079 0.000 1.113 152 S CB 0.366 63.482 63.200 -0.140 0.000 0.972 152 S HN 0.614 nan 8.310 nan 0.000 0.465 153 F N 0.745 120.419 119.950 -0.459 0.000 2.577 153 F HA 0.725 5.253 4.527 0.002 0.000 0.318 153 F C -1.068 174.261 175.800 -0.785 0.000 1.065 153 F CA -1.571 55.709 58.000 -1.199 0.000 0.929 153 F CB 0.760 38.584 39.000 -1.962 0.000 1.237 153 F HN 0.224 nan 8.300 nan 0.000 0.468 154 L N 2.968 123.751 121.223 -0.733 0.000 2.331 154 L HA 0.646 4.987 4.340 0.002 0.000 0.278 154 L C 0.063 176.713 176.870 -0.367 0.000 1.106 154 L CA -0.577 53.903 54.840 -0.600 0.000 0.824 154 L CB 1.148 42.984 42.059 -0.373 0.000 1.142 154 L HN 0.952 nan 8.230 nan 0.000 0.443 155 A N 3.656 126.192 122.820 -0.472 0.000 2.355 155 A HA 0.623 4.945 4.320 0.002 0.000 0.317 155 A C -1.267 176.164 177.584 -0.255 0.000 1.094 155 A CA -0.514 51.363 52.037 -0.266 0.000 0.764 155 A CB 0.707 19.534 19.000 -0.288 0.000 1.230 155 A HN 0.500 nan 8.150 nan 0.000 0.448 156 Y N 1.154 121.433 120.300 -0.035 0.000 2.411 156 Y HA 0.319 4.870 4.550 0.002 0.000 0.333 156 Y C 0.525 176.414 175.900 -0.018 0.000 1.186 156 Y CA 0.268 58.357 58.100 -0.017 0.000 1.381 156 Y CB 0.560 39.027 38.460 0.012 0.000 1.273 156 Y HN 0.444 nan 8.280 nan 0.000 0.546 157 I N 5.662 126.335 120.570 0.171 0.000 2.291 157 I HA 0.140 4.312 4.170 0.002 0.000 0.290 157 I C 0.888 177.085 176.117 0.133 0.000 1.050 157 I CA -0.010 61.353 61.300 0.105 0.000 1.245 157 I CB 0.485 38.523 38.000 0.064 0.000 1.405 157 I HN 0.663 nan 8.210 nan 0.000 0.478 158 I N 2.798 123.443 120.570 0.124 0.000 3.956 158 I HA 0.289 4.461 4.170 0.002 0.000 0.333 158 I C -0.163 176.054 176.117 0.167 0.000 1.302 158 I CA 0.058 61.422 61.300 0.108 0.000 1.122 158 I CB 0.379 38.409 38.000 0.050 0.000 1.013 158 I HN 0.435 nan 8.210 nan 0.000 0.405 159 W N 2.966 124.234 121.300 -0.052 0.000 2.900 159 W HA 0.389 5.051 4.660 0.002 0.000 0.336 159 W C -1.111 175.352 176.519 -0.094 0.000 1.064 159 W CA -1.883 55.413 57.345 -0.083 0.000 1.237 159 W CB 1.287 30.635 29.460 -0.187 0.000 1.391 159 W HN 0.007 nan 8.180 nan 0.000 0.468 160 D N 6.757 127.307 120.400 0.251 0.000 2.472 160 D HA 0.056 4.697 4.640 0.002 0.000 0.248 160 D C -1.430 174.748 176.300 -0.204 0.000 1.174 160 D CA -0.349 53.654 54.000 0.006 0.000 0.883 160 D CB 1.745 42.548 40.800 0.005 0.000 1.149 160 D HN 0.020 nan 8.370 nan 0.000 0.488 161 P HA -0.192 nan 4.420 nan 0.000 0.216 161 P C 1.314 178.398 177.300 -0.361 0.000 1.153 161 P CA 0.623 63.518 63.100 -0.341 0.000 0.858 161 P CB 0.221 31.758 31.700 -0.271 0.000 0.789 162 V N -0.050 119.705 119.914 -0.266 0.000 2.323 162 V HA -0.187 3.934 4.120 0.002 0.000 0.244 162 V C 2.491 178.497 176.094 -0.146 0.000 1.041 162 V CA 1.631 63.823 62.300 -0.181 0.000 1.025 162 V CB -1.061 30.671 31.823 -0.152 0.000 0.656 162 V HN 0.147 nan 8.190 nan 0.000 0.451 163 E N 0.071 120.182 120.200 -0.148 0.000 2.097 163 E HA -0.289 4.062 4.350 0.002 0.000 0.196 163 E C 2.200 178.710 176.600 -0.149 0.000 1.000 163 E CA 2.119 58.504 56.400 -0.025 0.000 0.804 163 E CB -0.216 29.550 29.700 0.109 0.000 0.740 163 E HN 0.579 nan 8.360 nan 0.000 0.454 164 M N -0.303 118.912 119.600 -0.641 0.000 2.065 164 M HA -0.250 4.231 4.480 0.002 0.000 0.259 164 M C 2.360 178.178 176.300 -0.804 0.000 1.069 164 M CA 1.847 56.328 55.300 -1.364 0.000 1.110 164 M CB -0.539 30.742 32.600 -2.198 0.000 1.328 164 M HN 0.148 nan 8.290 nan 0.000 0.405 165 Y N 1.484 121.361 120.300 -0.704 0.000 2.069 165 Y HA -0.343 4.208 4.550 0.002 0.000 0.278 165 Y C 1.688 177.354 175.900 -0.390 0.000 1.175 165 Y CA 2.717 60.534 58.100 -0.471 0.000 1.134 165 Y CB -0.921 37.364 38.460 -0.292 0.000 0.965 165 Y HN 0.474 nan 8.280 nan 0.000 0.498 166 N N -1.460 116.950 118.700 -0.483 0.000 2.166 166 N HA -0.236 4.505 4.740 0.002 0.000 0.186 166 N C 1.757 176.564 175.510 -1.172 0.000 1.019 166 N CA 1.176 53.783 53.050 -0.737 0.000 0.856 166 N CB -0.406 37.805 38.487 -0.460 0.000 0.993 166 N HN 0.570 nan 8.380 nan 0.000 0.426 167 H N 0.730 119.224 119.070 -0.960 0.000 2.293 167 H HA -0.007 4.551 4.556 0.002 0.000 0.300 167 H C 1.946 176.978 175.328 -0.494 0.000 1.082 167 H CA 1.404 57.056 56.048 -0.660 0.000 1.308 167 H CB -0.011 29.867 29.762 0.192 0.000 1.375 167 H HN 0.093 nan 8.280 nan 0.000 0.495 168 L N -0.461 120.648 121.223 -0.189 0.000 2.056 168 L HA -0.154 4.187 4.340 0.002 0.000 0.207 168 L C 2.561 179.268 176.870 -0.271 0.000 1.078 168 L CA 1.595 56.352 54.840 -0.138 0.000 0.749 168 L CB -0.542 41.418 42.059 -0.166 0.000 0.901 168 L HN 0.374 nan 8.230 nan 0.000 0.433 169 T N -0.587 113.666 114.554 -0.502 0.000 2.788 169 T HA -0.147 4.204 4.350 0.002 0.000 0.268 169 T C 1.398 175.901 174.700 -0.328 0.000 1.044 169 T CA 1.586 63.403 62.100 -0.472 0.000 1.139 169 T CB -0.317 68.093 68.868 -0.764 0.000 0.867 169 T HN 0.427 nan 8.240 nan 0.000 0.454 170 N N 0.538 118.953 118.700 -0.475 0.000 2.280 170 N HA 0.049 4.790 4.740 0.002 0.000 0.192 170 N C -0.381 175.007 175.510 -0.204 0.000 1.109 170 N CA -0.107 52.756 53.050 -0.311 0.000 0.855 170 N CB 0.383 38.594 38.487 -0.460 0.000 0.974 170 N HN 0.065 nan 8.380 nan 0.000 0.482 171 D N -0.193 120.083 120.400 -0.207 0.000 2.737 171 D HA -0.169 4.472 4.640 0.002 0.000 0.238 171 D C -0.307 176.019 176.300 0.044 0.000 1.157 171 D CA 0.233 54.209 54.000 -0.040 0.000 0.694 171 D CB -0.845 39.966 40.800 0.019 0.000 1.021 171 D HN 0.392 nan 8.370 nan 0.000 0.420 172 W N 0.591 121.729 121.300 -0.270 0.000 2.825 172 W HA 0.179 4.840 4.660 0.002 0.000 0.243 172 W C 2.263 178.609 176.519 -0.288 0.000 1.293 172 W CA 0.719 57.826 57.345 -0.397 0.000 1.403 172 W CB -1.025 28.036 29.460 -0.665 0.000 1.134 172 W HN 0.479 nan 8.180 nan 0.000 0.666 173 G N 1.381 110.247 108.800 0.109 0.000 3.517 173 G HA2 -0.541 3.420 3.960 0.002 0.000 0.372 173 G HA3 -0.541 3.420 3.960 0.002 0.000 0.372 173 G C 1.191 176.312 174.900 0.368 0.000 1.874 173 G CA 2.042 47.310 45.100 0.280 0.000 2.017 173 G HN 0.311 nan 8.290 nan 0.000 0.877 174 D N 1.220 121.753 120.400 0.221 0.000 2.240 174 D HA 0.110 4.752 4.640 0.002 0.000 0.206 174 D C 1.597 178.010 176.300 0.188 0.000 0.963 174 D CA 1.185 55.288 54.000 0.172 0.000 0.863 174 D CB -0.087 40.764 40.800 0.085 0.000 0.973 174 D HN 0.776 nan 8.370 nan 0.000 0.501 175 K N 0.830 121.357 120.400 0.212 0.000 2.414 175 K HA 0.027 4.348 4.320 0.002 0.000 0.272 175 K C 0.264 177.005 176.600 0.236 0.000 0.993 175 K CA -0.357 56.023 56.287 0.154 0.000 0.964 175 K CB 0.670 33.180 32.500 0.017 0.000 0.925 175 K HN -0.086 nan 8.250 nan 0.000 0.487 176 E N 2.130 122.373 120.200 0.072 0.000 2.452 176 E HA -0.095 4.257 4.350 0.002 0.000 0.261 176 E C -0.713 175.927 176.600 0.066 0.000 0.987 176 E CA 0.026 56.407 56.400 -0.032 0.000 0.926 176 E CB 0.340 30.013 29.700 -0.044 0.000 0.934 176 E HN 0.588 nan 8.360 nan 0.000 0.452 177 H N 3.518 122.413 119.070 -0.291 0.000 2.767 177 H HA 0.088 4.645 4.556 0.002 0.000 0.316 177 H C -0.211 174.985 175.328 -0.219 0.000 1.059 177 H CA -0.534 55.187 56.048 -0.545 0.000 1.461 177 H CB 0.626 29.494 29.762 -1.490 0.000 1.475 177 H HN 0.426 nan 8.280 nan 0.000 0.531 178 E N 3.656 123.961 120.200 0.176 0.000 2.316 178 E HA 0.130 4.481 4.350 0.002 0.000 0.275 178 E C -0.180 176.544 176.600 0.208 0.000 1.029 178 E CA -0.199 56.307 56.400 0.178 0.000 0.871 178 E CB 1.334 31.134 29.700 0.168 0.000 1.022 178 E HN 0.416 nan 8.360 nan 0.000 0.418 179 I N 5.746 126.421 120.570 0.175 0.000 2.353 179 I HA 0.212 4.384 4.170 0.002 0.000 0.293 179 I C -1.982 174.266 176.117 0.219 0.000 0.992 179 I CA -2.133 59.279 61.300 0.185 0.000 1.268 179 I CB 1.076 39.165 38.000 0.148 0.000 1.387 179 I HN 0.268 nan 8.210 nan 0.000 0.478 180 P HA 0.394 nan 4.420 nan 0.000 0.278 180 P C -1.265 176.130 177.300 0.159 0.000 1.258 180 P CA -0.272 62.822 63.100 -0.009 0.000 0.811 180 P CB 0.879 32.572 31.700 -0.013 0.000 1.063 181 F N -1.962 118.107 119.950 0.198 0.000 2.613 181 F HA 0.655 5.184 4.527 0.002 0.000 0.314 181 F C -0.633 175.302 175.800 0.225 0.000 1.075 181 F CA -1.201 56.945 58.000 0.243 0.000 0.945 181 F CB 1.143 40.342 39.000 0.330 0.000 1.310 181 F HN 0.047 nan 8.300 nan 0.000 0.467 182 D N 1.922 122.619 120.400 0.494 0.000 2.440 182 D HA 0.298 4.939 4.640 0.002 0.000 0.239 182 D C 0.587 177.115 176.300 0.380 0.000 1.084 182 D CA -0.612 53.603 54.000 0.359 0.000 0.843 182 D CB 1.321 42.377 40.800 0.426 0.000 1.097 182 D HN 0.680 nan 8.370 nan 0.000 0.531 183 I N 1.461 122.174 120.570 0.239 0.000 3.334 183 I HA -0.009 4.163 4.170 0.002 0.000 0.282 183 I C 1.325 177.627 176.117 0.309 0.000 1.313 183 I CA 0.196 61.617 61.300 0.202 0.000 1.396 183 I CB -0.422 37.525 38.000 -0.088 0.000 1.054 183 I HN 0.269 nan 8.210 nan 0.000 0.495 184 Y N 2.009 122.359 120.300 0.083 0.000 2.333 184 Y HA -0.110 4.442 4.550 0.002 0.000 0.290 184 Y C 1.427 177.190 175.900 -0.229 0.000 1.144 184 Y CA 1.038 58.969 58.100 -0.281 0.000 1.228 184 Y CB -0.139 38.009 38.460 -0.519 0.000 0.985 184 Y HN 0.299 nan 8.280 nan 0.000 0.542 185 H N 0.864 120.068 119.070 0.223 0.000 2.646 185 H HA 0.089 4.646 4.556 0.002 0.000 0.325 185 H C -1.611 173.791 175.328 0.124 0.000 1.075 185 H CA -1.974 54.174 56.048 0.166 0.000 1.421 185 H CB 0.836 30.728 29.762 0.216 0.000 1.461 185 H HN 0.131 nan 8.280 nan 0.000 0.525 186 P HA -0.161 nan 4.420 nan 0.000 0.216 186 P C 1.392 178.776 177.300 0.141 0.000 1.150 186 P CA 1.663 64.835 63.100 0.119 0.000 0.837 186 P CB 0.197 31.949 31.700 0.086 0.000 0.786 187 A N -0.604 122.326 122.820 0.184 0.000 1.845 187 A HA -0.198 4.123 4.320 0.002 0.000 0.215 187 A C 2.334 180.016 177.584 0.163 0.000 1.195 187 A CA 2.688 54.846 52.037 0.200 0.000 0.616 187 A CB -1.958 17.172 19.000 0.218 0.000 0.832 187 A HN 0.159 nan 8.150 nan 0.000 0.443 188 T N -0.810 113.921 114.554 0.296 0.000 2.720 188 T HA -0.179 4.173 4.350 0.002 0.000 0.268 188 T C 2.057 176.781 174.700 0.039 0.000 1.037 188 T CA 1.696 63.897 62.100 0.167 0.000 1.144 188 T CB -0.261 68.866 68.868 0.431 0.000 0.864 188 T HN 0.558 nan 8.240 nan 0.000 0.444 189 R N 1.085 121.657 120.500 0.120 0.000 2.083 189 R HA -0.111 4.230 4.340 0.002 0.000 0.237 189 R C 2.474 178.842 176.300 0.113 0.000 1.137 189 R CA 1.787 57.951 56.100 0.106 0.000 0.951 189 R CB -0.172 30.223 30.300 0.158 0.000 0.851 189 R HN 0.282 nan 8.270 nan 0.000 0.434 190 K N -0.491 119.952 120.400 0.072 0.000 2.063 190 K HA -0.213 4.108 4.320 0.002 0.000 0.208 190 K C 1.977 178.523 176.600 -0.090 0.000 1.048 190 K CA 1.753 58.064 56.287 0.040 0.000 0.928 190 K CB -0.327 32.186 32.500 0.022 0.000 0.713 190 K HN 0.185 nan 8.250 nan 0.000 0.442 191 F N 1.358 121.023 119.950 -0.475 0.000 2.095 191 F HA -0.241 4.288 4.527 0.002 0.000 0.298 191 F C 1.829 177.356 175.800 -0.455 0.000 1.104 191 F CA 1.506 59.058 58.000 -0.748 0.000 1.232 191 F CB -0.485 37.430 39.000 -1.807 0.000 0.987 191 F HN -0.189 nan 8.300 nan 0.000 0.475 192 V N 0.002 119.672 119.914 -0.406 0.000 2.287 192 V HA -0.318 3.803 4.120 0.002 0.000 0.248 192 V C 2.310 178.226 176.094 -0.297 0.000 1.053 192 V CA 2.201 64.301 62.300 -0.333 0.000 1.027 192 V CB -0.956 30.781 31.823 -0.144 0.000 0.646 192 V HN 0.298 nan 8.190 nan 0.000 0.447 193 F N 0.505 120.408 119.950 -0.079 0.000 2.146 193 F HA -0.111 4.417 4.527 0.002 0.000 0.298 193 F C 2.287 178.071 175.800 -0.027 0.000 1.096 193 F CA 1.570 59.569 58.000 -0.002 0.000 1.275 193 F CB -0.676 38.315 39.000 -0.016 0.000 1.008 193 F HN 0.200 nan 8.300 nan 0.000 0.480 194 D N -0.537 119.880 120.400 0.029 0.000 2.117 194 D HA -0.137 4.504 4.640 0.002 0.000 0.197 194 D C 2.293 178.530 176.300 -0.104 0.000 0.987 194 D CA 1.859 55.830 54.000 -0.048 0.000 0.829 194 D CB -0.841 39.897 40.800 -0.104 0.000 0.961 194 D HN 0.174 nan 8.370 nan 0.000 0.460 195 T N 0.525 114.900 114.554 -0.299 0.000 2.746 195 T HA -0.162 4.189 4.350 0.002 0.000 0.267 195 T C 1.681 176.432 174.700 0.085 0.000 1.039 195 T CA 0.691 62.625 62.100 -0.276 0.000 1.142 195 T CB -0.419 67.985 68.868 -0.772 0.000 0.866 195 T HN 0.083 nan 8.240 nan 0.000 0.444 196 F N 1.952 121.886 119.950 -0.028 0.000 2.146 196 F HA -0.012 4.516 4.527 0.002 0.000 0.298 196 F C 2.393 178.259 175.800 0.110 0.000 1.096 196 F CA 1.339 59.346 58.000 0.012 0.000 1.275 196 F CB -0.483 38.452 39.000 -0.109 0.000 1.008 196 F HN 0.209 nan 8.300 nan 0.000 0.480 197 E N -0.259 119.958 120.200 0.029 0.000 2.049 197 E HA -0.364 3.987 4.350 0.002 0.000 0.198 197 E C 2.253 178.815 176.600 -0.064 0.000 1.007 197 E CA 1.672 58.035 56.400 -0.062 0.000 0.809 197 E CB -0.335 29.371 29.700 0.010 0.000 0.749 197 E HN 0.399 nan 8.360 nan 0.000 0.450 198 Q N 0.229 120.032 119.800 0.004 0.000 2.061 198 Q HA -0.204 4.137 4.340 0.002 0.000 0.204 198 Q C 1.673 177.713 176.000 0.066 0.000 0.984 198 Q CA 2.346 58.166 55.803 0.029 0.000 0.846 198 Q CB -0.915 27.851 28.738 0.047 0.000 0.902 198 Q HN 0.566 nan 8.270 nan 0.000 0.421 199 W N 0.229 121.494 121.300 -0.058 0.000 2.335 199 W HA -0.199 4.462 4.660 0.002 0.000 0.311 199 W C 1.663 178.104 176.519 -0.130 0.000 1.213 199 W CA 1.861 59.198 57.345 -0.013 0.000 1.274 199 W CB -0.385 29.168 29.460 0.155 0.000 1.148 199 W HN 0.233 nan 8.180 nan 0.000 0.498 200 L N 0.667 121.831 121.223 -0.098 0.000 2.043 200 L HA -0.291 4.050 4.340 0.002 0.000 0.212 200 L C 2.606 179.302 176.870 -0.290 0.000 1.075 200 L CA 1.808 56.463 54.840 -0.309 0.000 0.752 200 L CB -0.888 40.956 42.059 -0.359 0.000 0.891 200 L HN -0.024 nan 8.230 nan 0.000 0.432 201 K N -0.295 119.989 120.400 -0.194 0.000 2.057 201 K HA -0.157 4.164 4.320 0.002 0.000 0.207 201 K C 1.350 177.848 176.600 -0.171 0.000 1.049 201 K CA 1.296 57.495 56.287 -0.147 0.000 0.931 201 K CB -0.178 32.269 32.500 -0.089 0.000 0.714 201 K HN 0.262 nan 8.250 nan 0.000 0.440 202 D N 0.310 120.590 120.400 -0.201 0.000 2.378 202 D HA -0.010 4.632 4.640 0.002 0.000 0.227 202 D C -0.109 175.992 176.300 -0.331 0.000 1.012 202 D CA 0.640 54.514 54.000 -0.211 0.000 0.905 202 D CB 0.322 41.032 40.800 -0.149 0.000 0.895 202 D HN -0.070 nan 8.370 nan 0.000 0.532 203 S N 0.734 116.167 115.700 -0.445 0.000 2.327 203 S HA 0.149 4.620 4.470 0.002 0.000 0.203 203 S C -1.820 172.581 174.600 -0.332 0.000 1.326 203 S CA -0.826 57.061 58.200 -0.522 0.000 1.248 203 S CB 1.598 64.153 63.200 -1.075 0.000 1.199 203 S HN 0.116 nan 8.310 nan 0.000 0.422 204 P HA -0.159 nan 4.420 nan 0.000 0.223 204 P C 1.497 178.736 177.300 -0.102 0.000 1.151 204 P CA 0.963 63.981 63.100 -0.137 0.000 0.787 204 P CB 0.188 31.828 31.700 -0.099 0.000 0.788 205 Q N -0.160 119.578 119.800 -0.103 0.000 2.331 205 Q HA 0.014 4.355 4.340 0.002 0.000 0.203 205 Q C 0.243 176.220 176.000 -0.037 0.000 0.944 205 Q CA 0.920 56.690 55.803 -0.056 0.000 0.892 205 Q CB -1.538 27.174 28.738 -0.045 0.000 0.983 205 Q HN 0.045 nan 8.270 nan 0.000 0.482 206 T N 3.089 117.596 114.554 -0.078 0.000 2.870 206 T HA 0.073 4.425 4.350 0.002 0.000 0.300 206 T C 0.018 174.726 174.700 0.013 0.000 0.989 206 T CA 0.038 62.123 62.100 -0.025 0.000 1.139 206 T CB 0.846 69.663 68.868 -0.086 0.000 0.920 206 T HN 0.206 nan 8.240 nan 0.000 0.537 207 D N 1.629 122.071 120.400 0.071 0.000 2.379 207 D HA 0.130 4.771 4.640 0.002 0.000 0.218 207 D C 0.219 176.566 176.300 0.077 0.000 1.006 207 D CA 0.523 54.571 54.000 0.080 0.000 0.893 207 D CB 0.679 41.544 40.800 0.108 0.000 1.019 207 D HN 0.268 nan 8.370 nan 0.000 0.503 208 V N 2.008 121.953 119.914 0.051 0.000 2.525 208 V HA 0.235 4.357 4.120 0.002 0.000 0.299 208 V C -0.177 175.864 176.094 -0.089 0.000 1.034 208 V CA -0.826 61.425 62.300 -0.083 0.000 0.863 208 V CB 2.594 34.155 31.823 -0.437 0.000 0.999 208 V HN -0.228 nan 8.190 nan 0.000 0.423 209 V N 5.339 125.200 119.914 -0.089 0.000 2.385 209 V HA 0.394 4.516 4.120 0.002 0.000 0.269 209 V C 0.626 176.465 176.094 -0.425 0.000 1.043 209 V CA -0.468 61.680 62.300 -0.254 0.000 0.906 209 V CB 1.018 32.599 31.823 -0.402 0.000 0.995 209 V HN 0.790 nan 8.190 nan 0.000 0.467 210 R N 4.765 125.034 120.500 -0.385 0.000 2.565 210 R HA 0.312 4.653 4.340 0.002 0.000 0.286 210 R C -0.952 175.122 176.300 -0.376 0.000 1.256 210 R CA -0.509 55.417 56.100 -0.290 0.000 1.238 210 R CB 0.001 30.212 30.300 -0.148 0.000 1.153 210 R HN 0.538 nan 8.270 nan 0.000 0.553 211 F N 1.776 121.543 119.950 -0.304 0.000 2.533 211 F HA 0.052 4.580 4.527 0.002 0.000 0.378 211 F C 0.856 176.397 175.800 -0.432 0.000 1.070 211 F CA 0.699 58.397 58.000 -0.503 0.000 1.172 211 F CB 1.237 39.692 39.000 -0.907 0.000 1.085 211 F HN 0.218 nan 8.300 nan 0.000 0.552 212 T N 2.242 116.702 114.554 -0.157 0.000 3.466 212 T HA 0.270 4.621 4.350 0.002 0.000 0.297 212 T C 0.488 175.279 174.700 0.151 0.000 1.640 212 T CA -0.339 61.778 62.100 0.029 0.000 1.631 212 T CB 0.439 69.313 68.868 0.009 0.000 0.928 212 T HN 0.601 nan 8.240 nan 0.000 0.688 213 T N -0.030 114.538 114.554 0.024 0.000 2.614 213 T HA 0.536 4.888 4.350 0.002 0.000 0.163 213 T C -0.064 174.275 174.700 -0.602 0.000 0.806 213 T CA 0.004 61.976 62.100 -0.212 0.000 1.020 213 T CB 0.220 69.112 68.868 0.042 0.000 2.539 213 T HN 0.192 nan 8.240 nan 0.000 0.380 214 F N -0.754 119.061 119.950 -0.225 0.000 2.126 214 F HA 0.532 5.060 4.527 0.002 0.000 0.200 214 F C 0.915 176.290 175.800 -0.708 0.000 1.294 214 F CA -0.742 56.798 58.000 -0.766 0.000 1.267 214 F CB -0.152 38.298 39.000 -0.918 0.000 1.855 214 F HN 0.159 nan 8.300 nan 0.000 0.193 215 F N -1.833 118.180 119.950 0.104 0.000 2.717 215 F HA 0.283 4.811 4.527 0.002 0.000 0.297 215 F C -0.767 174.732 175.800 -0.502 0.000 1.113 215 F CA -0.523 57.340 58.000 -0.228 0.000 1.319 215 F CB -0.070 38.748 39.000 -0.303 0.000 1.097 215 F HN -0.095 nan 8.300 nan 0.000 0.595 216 Y N 0.481 120.916 120.300 0.226 0.000 2.361 216 Y HA 0.460 5.012 4.550 0.002 0.000 0.328 216 Y C -0.193 175.752 175.900 0.075 0.000 1.044 216 Y CA -1.820 56.371 58.100 0.152 0.000 1.085 216 Y CB 1.174 39.730 38.460 0.160 0.000 1.194 216 Y HN -0.241 nan 8.280 nan 0.000 0.438 217 Q N 3.741 123.641 119.800 0.166 0.000 2.314 217 Q HA 0.305 4.646 4.340 0.002 0.000 0.258 217 Q C -0.704 175.300 176.000 0.008 0.000 0.954 217 Q CA -0.528 55.279 55.803 0.008 0.000 0.890 217 Q CB 0.275 28.948 28.738 -0.109 0.000 1.210 217 Q HN 0.447 nan 8.270 nan 0.000 0.410 218 F N 0.715 120.710 119.950 0.074 0.000 2.553 218 F HA 0.305 4.834 4.527 0.002 0.000 0.356 218 F C 0.353 176.190 175.800 0.061 0.000 1.142 218 F CA -0.844 57.172 58.000 0.027 0.000 1.322 218 F CB -0.309 38.708 39.000 0.029 0.000 1.126 218 F HN 0.390 nan 8.300 nan 0.000 0.599 219 T N 4.991 119.717 114.554 0.287 0.000 2.750 219 T HA 0.233 4.584 4.350 0.002 0.000 0.277 219 T C -0.418 174.395 174.700 0.189 0.000 0.996 219 T CA 0.371 62.574 62.100 0.172 0.000 1.195 219 T CB -0.313 68.658 68.868 0.172 0.000 0.963 219 T HN 0.617 nan 8.240 nan 0.000 0.516 220 L N 6.129 127.375 121.223 0.039 0.000 2.595 220 L HA 0.472 4.814 4.340 0.002 0.000 0.259 220 L C -1.431 175.507 176.870 0.113 0.000 1.033 220 L CA -0.153 54.728 54.840 0.068 0.000 0.901 220 L CB 0.736 42.721 42.059 -0.122 0.000 1.151 220 L HN 0.560 nan 8.230 nan 0.000 0.453 221 L N 3.703 125.031 121.223 0.175 0.000 2.365 221 L HA 0.608 4.950 4.340 0.002 0.000 0.273 221 L C -0.915 176.185 176.870 0.383 0.000 1.000 221 L CA -0.563 54.409 54.840 0.219 0.000 0.819 221 L CB 1.969 44.069 42.059 0.069 0.000 1.284 221 L HN 0.254 nan 8.230 nan 0.000 0.418 222 F N 0.653 120.680 119.950 0.130 0.000 2.483 222 F HA 0.404 4.932 4.527 0.002 0.000 0.329 222 F C 0.388 176.301 175.800 0.189 0.000 1.064 222 F CA -1.035 57.037 58.000 0.120 0.000 0.986 222 F CB 1.524 40.593 39.000 0.116 0.000 1.218 222 F HN 0.516 nan 8.300 nan 0.000 0.484 223 D N -0.198 120.273 120.400 0.118 0.000 2.487 223 D HA 0.125 4.766 4.640 0.002 0.000 0.262 223 D C 0.735 177.087 176.300 0.087 0.000 1.130 223 D CA -0.421 53.615 54.000 0.060 0.000 1.038 223 D CB 0.200 40.945 40.800 -0.092 0.000 1.142 223 D HN 0.543 nan 8.370 nan 0.000 0.575 224 E N 0.004 120.248 120.200 0.074 0.000 2.472 224 E HA -0.192 4.159 4.350 0.002 0.000 0.200 224 E C 0.347 176.961 176.600 0.023 0.000 1.046 224 E CA 0.843 57.315 56.400 0.121 0.000 0.871 224 E CB -0.253 29.505 29.700 0.097 0.000 0.806 224 E HN 0.518 nan 8.360 nan 0.000 0.533 225 K N 0.714 121.072 120.400 -0.070 0.000 2.397 225 K HA 0.222 4.543 4.320 0.002 0.000 0.202 225 K C -0.178 176.303 176.600 -0.199 0.000 1.022 225 K CA -0.203 56.024 56.287 -0.100 0.000 1.141 225 K CB 0.351 32.803 32.500 -0.081 0.000 0.857 225 K HN 0.016 nan 8.250 nan 0.000 0.514 226 R N 0.598 120.857 120.500 -0.402 0.000 3.770 226 R HA -0.199 4.143 4.340 0.002 0.000 0.305 226 R C -0.630 175.548 176.300 -0.203 0.000 1.184 226 R CA 0.757 56.503 56.100 -0.591 0.000 0.823 226 R CB -1.902 28.094 30.300 -0.507 0.000 1.285 226 R HN 0.228 nan 8.270 nan 0.000 0.499 227 R N 0.944 121.269 120.500 -0.292 0.000 2.720 227 R HA 0.298 4.639 4.340 0.002 0.000 0.272 227 R C 0.056 175.725 176.300 -1.053 0.000 0.991 227 R CA -1.032 54.782 56.100 -0.478 0.000 1.010 227 R CB 0.896 31.014 30.300 -0.303 0.000 1.141 227 R HN 0.120 nan 8.270 nan 0.000 0.494 228 E N 1.800 121.217 120.200 -1.306 0.000 2.465 228 E HA -0.127 4.224 4.350 0.002 0.000 0.260 228 E C 0.137 176.420 176.600 -0.528 0.000 0.980 228 E CA 0.419 56.096 56.400 -1.205 0.000 0.927 228 E CB 0.751 30.067 29.700 -0.639 0.000 0.934 228 E HN 0.444 nan 8.360 nan 0.000 0.459 229 K N 2.786 122.990 120.400 -0.326 0.000 2.286 229 K HA 0.136 4.457 4.320 0.002 0.000 0.203 229 K C -0.510 176.026 176.600 -0.108 0.000 1.078 229 K CA 0.311 56.502 56.287 -0.159 0.000 0.957 229 K CB 0.843 33.305 32.500 -0.064 0.000 1.018 229 K HN 0.354 nan 8.250 nan 0.000 0.484 230 V N 1.501 121.362 119.914 -0.089 0.000 2.668 230 V HA 0.418 4.539 4.120 0.002 0.000 0.304 230 V C -1.338 174.748 176.094 -0.014 0.000 1.071 230 V CA -0.943 61.298 62.300 -0.098 0.000 0.894 230 V CB 1.697 33.334 31.823 -0.310 0.000 1.008 230 V HN -0.040 nan 8.190 nan 0.000 0.425 231 V N 3.307 123.247 119.914 0.044 0.000 2.841 231 V HA 0.837 4.958 4.120 0.002 0.000 0.310 231 V C -1.987 174.219 176.094 0.185 0.000 1.090 231 V CA -0.147 62.243 62.300 0.150 0.000 0.930 231 V CB 2.322 34.239 31.823 0.156 0.000 1.014 231 V HN 1.024 nan 8.190 nan 0.000 0.425 232 D N 3.991 124.553 120.400 0.270 0.000 2.764 232 D HA 0.146 4.787 4.640 0.002 0.000 0.227 232 D C -0.088 176.333 176.300 0.200 0.000 1.347 232 D CA -0.438 53.717 54.000 0.257 0.000 0.953 232 D CB 1.287 42.259 40.800 0.287 0.000 1.476 232 D HN 0.566 nan 8.370 nan 0.000 0.585 233 W N 4.093 125.206 121.300 -0.311 0.000 2.421 233 W HA -0.020 4.642 4.660 0.003 0.000 0.270 233 W C 0.640 176.863 176.519 -0.493 0.000 1.233 233 W CA 0.893 57.751 57.345 -0.812 0.000 1.226 233 W CB -0.145 28.735 29.460 -0.967 0.000 1.121 233 W HN 0.389 nan 8.180 nan 0.000 0.579 234 F N -0.223 119.775 119.950 0.081 0.000 2.695 234 F HA 0.406 4.935 4.527 0.002 0.000 0.303 234 F C 1.651 177.383 175.800 -0.114 0.000 1.091 234 F CA 0.031 57.947 58.000 -0.139 0.000 1.300 234 F CB -0.885 38.032 39.000 -0.138 0.000 1.071 234 F HN -0.243 nan 8.300 nan 0.000 0.578 235 G N -0.648 108.251 108.800 0.164 0.000 2.432 235 G HA2 0.233 4.194 3.960 0.002 0.000 0.257 235 G HA3 0.233 4.194 3.960 0.002 0.000 0.257 235 G C 0.088 175.073 174.900 0.142 0.000 1.238 235 G CA -0.287 44.926 45.100 0.188 0.000 0.838 235 G HN 0.351 nan 8.290 nan 0.000 0.547 236 C N 2.376 121.778 119.300 0.170 0.000 2.589 236 C HA 0.378 4.839 4.460 0.002 0.000 0.307 236 C C 2.510 177.623 174.990 0.204 0.000 1.328 236 C CA -0.013 59.126 59.018 0.203 0.000 1.742 236 C CB -1.121 26.816 27.740 0.329 0.000 2.037 236 C HN 0.872 nan 8.230 nan 0.000 0.592 237 A N -0.463 122.460 122.820 0.172 0.000 1.908 237 A HA -0.194 4.128 4.320 0.002 0.000 0.218 237 A C 1.465 179.054 177.584 0.009 0.000 1.181 237 A CA 1.636 53.749 52.037 0.128 0.000 0.627 237 A CB -0.596 18.481 19.000 0.128 0.000 0.818 237 A HN 0.639 nan 8.150 nan 0.000 0.445 238 C N 0.725 120.051 119.300 0.044 0.000 2.439 238 C HA 0.420 4.882 4.460 0.002 0.000 0.411 238 C C 1.619 176.682 174.990 0.122 0.000 1.337 238 C CA 0.443 59.486 59.018 0.042 0.000 1.716 238 C CB -1.853 25.921 27.740 0.057 0.000 2.332 238 C HN 0.693 nan 8.230 nan 0.000 0.594 239 T N -3.643 110.924 114.554 0.023 0.000 3.262 239 T HA 0.247 4.598 4.350 0.002 0.000 0.300 239 T C 0.065 174.765 174.700 -0.000 0.000 0.959 239 T CA 0.056 62.128 62.100 -0.047 0.000 0.936 239 T CB -0.449 68.356 68.868 -0.104 0.000 1.169 239 T HN 0.300 nan 8.240 nan 0.000 0.532 240 V N 0.222 120.046 119.914 -0.149 0.000 3.096 240 V HA 1.022 5.144 4.120 0.002 0.000 0.319 240 V C -0.356 175.626 176.094 -0.188 0.000 1.082 240 V CA -0.403 61.737 62.300 -0.268 0.000 1.022 240 V CB 1.438 32.806 31.823 -0.758 0.000 1.103 240 V HN 0.824 nan 8.190 nan 0.000 0.455 241 S N 0.149 115.740 115.700 -0.180 0.000 2.578 241 S HA 0.557 5.028 4.470 0.002 0.000 0.272 241 S C -2.585 171.936 174.600 -0.132 0.000 1.145 241 S CA -0.697 57.431 58.200 -0.121 0.000 0.835 241 S CB 1.248 64.475 63.200 0.045 0.000 1.104 241 S HN 0.454 nan 8.310 nan 0.000 0.458 242 P HA -0.131 nan 4.420 nan 0.000 0.216 242 P C 1.600 178.941 177.300 0.069 0.000 1.154 242 P CA 1.357 64.271 63.100 -0.311 0.000 0.865 242 P CB 0.056 31.459 31.700 -0.496 0.000 0.789 243 R N -0.008 120.571 120.500 0.132 0.000 2.073 243 R HA 0.030 4.371 4.340 0.002 0.000 0.229 243 R C 2.085 178.532 176.300 0.245 0.000 1.120 243 R CA 1.839 58.085 56.100 0.243 0.000 0.967 243 R CB -1.519 28.980 30.300 0.331 0.000 0.862 243 R HN 0.034 nan 8.270 nan 0.000 0.436 244 A N 0.527 123.361 122.820 0.023 0.000 1.902 244 A HA -0.101 4.221 4.320 0.002 0.000 0.217 244 A C 2.247 179.952 177.584 0.201 0.000 1.181 244 A CA 1.560 53.524 52.037 -0.122 0.000 0.623 244 A CB -0.665 18.003 19.000 -0.552 0.000 0.818 244 A HN 0.347 nan 8.150 nan 0.000 0.443 245 L N -0.523 120.825 121.223 0.208 0.000 2.046 245 L HA -0.192 4.149 4.340 0.002 0.000 0.208 245 L C 2.055 179.071 176.870 0.243 0.000 1.077 245 L CA 1.475 56.457 54.840 0.237 0.000 0.747 245 L CB -0.609 41.580 42.059 0.216 0.000 0.896 245 L HN 0.288 nan 8.230 nan 0.000 0.432 246 D N -0.244 120.309 120.400 0.255 0.000 2.144 246 D HA -0.155 4.487 4.640 0.002 0.000 0.200 246 D C 1.806 178.213 176.300 0.178 0.000 0.978 246 D CA 1.043 55.176 54.000 0.223 0.000 0.833 246 D CB -0.207 40.742 40.800 0.248 0.000 0.961 246 D HN 0.266 nan 8.370 nan 0.000 0.470 247 D N -0.050 120.471 120.400 0.200 0.000 2.117 247 D HA -0.133 4.508 4.640 0.002 0.000 0.197 247 D C 1.832 178.155 176.300 0.039 0.000 0.987 247 D CA 0.337 54.447 54.000 0.183 0.000 0.829 247 D CB -0.509 40.508 40.800 0.362 0.000 0.961 247 D HN 0.206 nan 8.370 nan 0.000 0.460 248 F N 1.815 121.576 119.950 -0.315 0.000 2.095 248 F HA -0.211 4.317 4.527 0.002 0.000 0.298 248 F C 2.322 178.016 175.800 -0.178 0.000 1.104 248 F CA 1.800 59.471 58.000 -0.548 0.000 1.232 248 F CB 0.009 38.623 39.000 -0.644 0.000 0.987 248 F HN -0.099 nan 8.300 nan 0.000 0.475 249 E N 0.322 120.624 120.200 0.171 0.000 2.058 249 E HA -0.279 4.072 4.350 0.002 0.000 0.194 249 E C 2.284 178.877 176.600 -0.011 0.000 0.997 249 E CA 1.211 57.663 56.400 0.086 0.000 0.801 249 E CB -0.402 29.372 29.700 0.123 0.000 0.746 249 E HN 0.506 nan 8.360 nan 0.000 0.450 250 A N 1.009 123.834 122.820 0.009 0.000 1.883 250 A HA -0.239 4.082 4.320 0.002 0.000 0.217 250 A C 2.061 179.608 177.584 -0.061 0.000 1.186 250 A CA 2.030 54.066 52.037 -0.002 0.000 0.624 250 A CB -0.387 18.632 19.000 0.032 0.000 0.822 250 A HN 0.174 nan 8.150 nan 0.000 0.444 251 K N -2.139 118.193 120.400 -0.113 0.000 2.116 251 K HA -0.013 4.308 4.320 0.002 0.000 0.203 251 K C 1.495 177.842 176.600 -0.420 0.000 1.052 251 K CA 1.427 57.584 56.287 -0.215 0.000 0.952 251 K CB -0.179 32.230 32.500 -0.152 0.000 0.729 251 K HN 0.648 nan 8.250 nan 0.000 0.446 252 Y N -0.823 119.173 120.300 -0.507 0.000 2.478 252 Y HA 0.166 4.717 4.550 0.002 0.000 0.261 252 Y C 1.316 177.140 175.900 -0.127 0.000 1.127 252 Y CA 0.285 58.116 58.100 -0.448 0.000 1.288 252 Y CB 1.185 39.033 38.460 -1.020 0.000 1.084 252 Y HN 0.200 nan 8.280 nan 0.000 0.530 253 G N 0.273 109.071 108.800 -0.004 0.000 2.143 253 G HA2 -0.322 3.639 3.960 0.002 0.000 0.248 253 G HA3 -0.322 3.639 3.960 0.002 0.000 0.248 253 G C -0.341 174.702 174.900 0.238 0.000 0.991 253 G CA 0.459 45.617 45.100 0.096 0.000 0.689 253 G HN 0.542 nan 8.290 nan 0.000 0.522 254 Y N -2.476 117.900 120.300 0.127 0.000 2.581 254 Y HA 0.801 5.353 4.550 0.002 0.000 0.337 254 Y C -0.405 175.636 175.900 0.234 0.000 1.108 254 Y CA -1.891 56.300 58.100 0.152 0.000 1.033 254 Y CB 0.937 39.482 38.460 0.141 0.000 1.318 254 Y HN 0.212 nan 8.280 nan 0.000 0.459 255 R N 3.262 123.901 120.500 0.231 0.000 2.254 255 R HA 0.539 4.881 4.340 0.002 0.000 0.318 255 R C -1.211 175.171 176.300 0.137 0.000 1.031 255 R CA -0.499 55.684 56.100 0.139 0.000 0.905 255 R CB 0.582 30.952 30.300 0.116 0.000 1.050 255 R HN 0.904 nan 8.270 nan 0.000 0.456 256 L N 5.098 126.317 121.223 -0.006 0.000 2.453 256 L HA 0.216 4.558 4.340 0.002 0.000 0.272 256 L C 0.732 177.587 176.870 -0.024 0.000 1.182 256 L CA 0.141 54.931 54.840 -0.082 0.000 0.858 256 L CB 0.589 42.462 42.059 -0.310 0.000 1.120 256 L HN 0.583 nan 8.230 nan 0.000 0.474 257 R N 3.744 124.208 120.500 -0.061 0.000 2.560 257 R HA 0.169 4.511 4.340 0.002 0.000 0.270 257 R C -1.538 174.627 176.300 -0.225 0.000 1.074 257 R CA -1.549 54.496 56.100 -0.091 0.000 1.140 257 R CB 0.239 30.490 30.300 -0.082 0.000 1.073 257 R HN 0.340 nan 8.270 nan 0.000 0.527 258 P HA -0.212 nan 4.420 nan 0.000 0.217 258 P C 0.759 177.766 177.300 -0.489 0.000 1.148 258 P CA 1.216 63.764 63.100 -0.920 0.000 0.828 258 P CB 0.267 31.519 31.700 -0.747 0.000 0.783 259 E N -0.110 119.914 120.200 -0.294 0.000 2.209 259 E HA -0.190 4.162 4.350 0.002 0.000 0.196 259 E C 1.365 177.820 176.600 -0.242 0.000 0.993 259 E CA 1.203 57.469 56.400 -0.224 0.000 0.819 259 E CB -0.933 28.675 29.700 -0.154 0.000 0.745 259 E HN 0.197 nan 8.360 nan 0.000 0.477 260 D N -1.247 118.974 120.400 -0.298 0.000 2.350 260 D HA -0.100 4.541 4.640 0.002 0.000 0.216 260 D C 0.858 176.759 176.300 -0.664 0.000 0.968 260 D CA 0.652 54.386 54.000 -0.444 0.000 0.894 260 D CB 0.058 40.545 40.800 -0.522 0.000 0.909 260 D HN 0.286 nan 8.370 nan 0.000 0.520 261 F N -0.222 119.532 119.950 -0.328 0.000 2.479 261 F HA -0.040 4.488 4.527 0.002 0.000 0.280 261 F C 2.365 178.029 175.800 -0.227 0.000 0.982 261 F CA 0.083 57.926 58.000 -0.261 0.000 1.276 261 F CB -0.714 38.141 39.000 -0.241 0.000 1.137 261 F HN -0.198 nan 8.300 nan 0.000 0.660 262 V N -1.656 118.173 119.914 -0.143 0.000 2.759 262 V HA -0.102 4.019 4.120 0.002 0.000 0.256 262 V C 0.614 176.446 176.094 -0.436 0.000 1.080 262 V CA 1.362 63.380 62.300 -0.470 0.000 1.101 262 V CB -0.900 30.635 31.823 -0.479 0.000 0.698 262 V HN 0.537 nan 8.190 nan 0.000 0.477 263 D N 0.848 121.097 120.400 -0.253 0.000 2.689 263 D HA -0.109 4.532 4.640 0.002 0.000 0.237 263 D C 1.209 177.413 176.300 -0.160 0.000 1.148 263 D CA 1.505 55.401 54.000 -0.174 0.000 0.656 263 D CB -1.536 39.198 40.800 -0.109 0.000 1.050 263 D HN 1.575 nan 8.370 nan 0.000 0.426 264 G N -0.896 107.799 108.800 -0.174 0.000 2.180 264 G HA2 -0.035 3.927 3.960 0.002 0.000 0.263 264 G HA3 -0.035 3.927 3.960 0.002 0.000 0.263 264 G C 1.450 176.273 174.900 -0.127 0.000 0.989 264 G CA 0.935 45.959 45.100 -0.128 0.000 0.692 264 G HN 1.795 nan 8.290 nan 0.000 0.526 265 G N -1.915 106.751 108.800 -0.223 0.000 2.201 265 G HA2 0.182 4.143 3.960 0.002 0.000 0.212 265 G HA3 0.182 4.143 3.960 0.002 0.000 0.212 265 G C 1.321 176.225 174.900 0.007 0.000 0.994 265 G CA 1.142 46.147 45.100 -0.158 0.000 0.644 265 G HN 1.944 nan 8.290 nan 0.000 0.508 266 A N -0.447 122.370 122.820 -0.006 0.000 2.067 266 A HA 0.479 4.800 4.320 0.002 0.000 0.217 266 A C 1.369 179.103 177.584 0.250 0.000 1.156 266 A CA 1.652 53.762 52.037 0.122 0.000 0.683 266 A CB -0.414 18.635 19.000 0.081 0.000 0.808 266 A HN 1.423 nan 8.150 nan 0.000 0.455 267 Y N -0.980 119.358 120.300 0.064 0.000 3.721 267 Y HA -0.272 4.279 4.550 0.002 0.000 0.218 267 Y C 0.673 176.633 175.900 0.100 0.000 1.188 267 Y CA 0.659 58.807 58.100 0.080 0.000 1.607 267 Y CB -2.438 36.081 38.460 0.098 0.000 1.496 267 Y HN 0.582 nan 8.280 nan 0.000 0.626 268 N N -1.627 117.175 118.700 0.170 0.000 2.747 268 N HA -0.203 4.538 4.740 0.002 0.000 0.249 268 N C 0.300 175.960 175.510 0.249 0.000 1.107 268 N CA 1.151 54.300 53.050 0.164 0.000 0.707 268 N CB -1.124 37.436 38.487 0.121 0.000 1.054 268 N HN 0.596 nan 8.380 nan 0.000 0.555 269 S N -0.540 115.327 115.700 0.279 0.000 2.643 269 S HA 0.101 4.573 4.470 0.002 0.000 0.310 269 S C 1.696 176.543 174.600 0.411 0.000 1.253 269 S CA 0.506 58.917 58.200 0.351 0.000 1.047 269 S CB 0.633 64.031 63.200 0.329 0.000 0.767 269 S HN 0.445 nan 8.310 nan 0.000 0.498 270 A N 4.597 127.703 122.820 0.477 0.000 2.125 270 A HA -0.041 4.281 4.320 0.002 0.000 0.219 270 A C 1.448 179.273 177.584 0.402 0.000 1.156 270 A CA 1.225 53.504 52.037 0.404 0.000 0.671 270 A CB -0.707 18.392 19.000 0.166 0.000 0.794 270 A HN 0.980 nan 8.150 nan 0.000 0.459 271 W N 0.410 121.863 121.300 0.254 0.000 2.678 271 W HA 0.116 4.777 4.660 0.002 0.000 0.256 271 W C 0.975 177.490 176.519 -0.006 0.000 1.280 271 W CA 0.039 57.462 57.345 0.129 0.000 1.345 271 W CB 0.105 29.757 29.460 0.321 0.000 1.118 271 W HN 0.045 nan 8.180 nan 0.000 0.629 272 R N 0.886 121.546 120.500 0.267 0.000 2.543 272 R HA 0.114 4.455 4.340 0.002 0.000 0.277 272 R C -0.081 176.196 176.300 -0.038 0.000 1.074 272 R CA -0.255 55.916 56.100 0.118 0.000 1.076 272 R CB 0.520 30.890 30.300 0.116 0.000 0.993 272 R HN -0.252 nan 8.270 nan 0.000 0.459 273 V N 6.194 126.048 119.914 -0.101 0.000 2.493 273 V HA 0.000 4.122 4.120 0.002 0.000 0.292 273 V C -1.579 174.358 176.094 -0.261 0.000 1.016 273 V CA -0.771 61.395 62.300 -0.225 0.000 1.097 273 V CB 0.244 31.963 31.823 -0.173 0.000 0.947 273 V HN 0.613 nan 8.190 nan 0.000 0.479 274 P HA 0.252 nan 4.420 nan 0.000 0.271 274 P C -0.344 176.801 177.300 -0.258 0.000 1.216 274 P CA -0.113 62.737 63.100 -0.416 0.000 0.776 274 P CB 0.699 31.853 31.700 -0.910 0.000 0.881 275 R N 1.506 121.914 120.500 -0.153 0.000 2.573 275 R HA 0.239 4.580 4.340 0.002 0.000 0.272 275 R C 1.658 177.907 176.300 -0.085 0.000 1.009 275 R CA -0.770 55.257 56.100 -0.121 0.000 1.059 275 R CB 1.018 31.256 30.300 -0.105 0.000 1.112 275 R HN 0.420 nan 8.270 nan 0.000 0.517 276 K N 1.664 122.021 120.400 -0.071 0.000 2.074 276 K HA -0.224 4.098 4.320 0.002 0.000 0.209 276 K C 1.745 178.379 176.600 0.056 0.000 1.048 276 K CA 1.980 58.258 56.287 -0.014 0.000 0.926 276 K CB -0.156 32.324 32.500 -0.035 0.000 0.713 276 K HN 0.694 nan 8.250 nan 0.000 0.444 277 A N 0.883 123.719 122.820 0.027 0.000 1.978 277 A HA -0.246 4.075 4.320 0.002 0.000 0.220 277 A C 1.997 179.571 177.584 -0.017 0.000 1.170 277 A CA 1.719 53.787 52.037 0.052 0.000 0.636 277 A CB -0.492 18.469 19.000 -0.066 0.000 0.810 277 A HN 0.526 nan 8.150 nan 0.000 0.448 278 Q N -0.880 118.905 119.800 -0.025 0.000 2.049 278 Q HA -0.117 4.225 4.340 0.002 0.000 0.198 278 Q C 2.387 178.480 176.000 0.155 0.000 0.971 278 Q CA 1.377 57.206 55.803 0.044 0.000 0.833 278 Q CB -0.147 28.637 28.738 0.077 0.000 0.896 278 Q HN 0.647 nan 8.270 nan 0.000 0.434 279 R N 0.604 121.182 120.500 0.131 0.000 2.081 279 R HA -0.128 4.214 4.340 0.002 0.000 0.235 279 R C 1.683 178.094 176.300 0.186 0.000 1.131 279 R CA 1.363 57.560 56.100 0.161 0.000 0.960 279 R CB -0.173 30.190 30.300 0.104 0.000 0.856 279 R HN 0.271 nan 8.270 nan 0.000 0.436 280 D N 0.027 120.548 120.400 0.201 0.000 2.117 280 D HA -0.222 4.420 4.640 0.002 0.000 0.197 280 D C 1.500 177.921 176.300 0.202 0.000 0.987 280 D CA 0.775 54.890 54.000 0.191 0.000 0.829 280 D CB -0.347 40.593 40.800 0.232 0.000 0.961 280 D HN 0.340 nan 8.370 nan 0.000 0.460 281 W N 1.387 122.711 121.300 0.041 0.000 2.358 281 W HA -0.142 4.519 4.660 0.002 0.000 0.303 281 W C 1.996 178.609 176.519 0.157 0.000 1.208 281 W CA 0.722 58.096 57.345 0.049 0.000 1.274 281 W CB -0.354 29.006 29.460 -0.167 0.000 1.138 281 W HN -0.055 nan 8.180 nan 0.000 0.515 282 I N 0.919 121.587 120.570 0.163 0.000 2.208 282 I HA -0.350 3.821 4.170 0.002 0.000 0.245 282 I C 2.136 178.267 176.117 0.024 0.000 1.097 282 I CA 1.853 63.192 61.300 0.064 0.000 1.363 282 I CB -0.650 37.419 38.000 0.114 0.000 1.051 282 I HN -0.173 nan 8.210 nan 0.000 0.413 283 D N 0.415 120.881 120.400 0.110 0.000 2.104 283 D HA -0.229 4.412 4.640 0.002 0.000 0.194 283 D C 1.908 178.299 176.300 0.151 0.000 0.994 283 D CA 1.330 55.421 54.000 0.152 0.000 0.830 283 D CB -0.445 40.508 40.800 0.255 0.000 0.959 283 D HN 0.262 nan 8.370 nan 0.000 0.452 284 F N 1.157 121.106 119.950 -0.001 0.000 2.069 284 F HA -0.181 4.347 4.527 0.002 0.000 0.298 284 F C 2.125 177.820 175.800 -0.175 0.000 1.113 284 F CA 0.964 58.933 58.000 -0.051 0.000 1.214 284 F CB -0.549 38.366 39.000 -0.142 0.000 0.978 284 F HN -0.100 nan 8.300 nan 0.000 0.474 285 L N -0.168 120.710 121.223 -0.574 0.000 2.046 285 L HA -0.171 4.170 4.340 0.002 0.000 0.208 285 L C 2.777 179.525 176.870 -0.204 0.000 1.077 285 L CA 2.123 56.628 54.840 -0.558 0.000 0.747 285 L CB -1.218 40.527 42.059 -0.524 0.000 0.896 285 L HN 0.355 nan 8.230 nan 0.000 0.432 286 S N -0.993 114.632 115.700 -0.124 0.000 2.383 286 S HA -0.103 4.368 4.470 0.002 0.000 0.227 286 S C 2.073 176.659 174.600 -0.025 0.000 1.026 286 S CA 1.074 59.253 58.200 -0.035 0.000 0.981 286 S CB -0.648 62.548 63.200 -0.007 0.000 0.818 286 S HN 0.599 nan 8.310 nan 0.000 0.472 287 G N 0.416 109.198 108.800 -0.031 0.000 2.446 287 G HA2 -0.212 3.749 3.960 0.002 0.000 0.217 287 G HA3 -0.212 3.749 3.960 0.002 0.000 0.217 287 G C 1.270 176.153 174.900 -0.027 0.000 1.168 287 G CA 1.021 46.109 45.100 -0.020 0.000 0.771 287 G HN 0.587 nan 8.290 nan 0.000 0.551 288 F N 1.170 121.000 119.950 -0.200 0.000 2.128 288 F HA -0.016 4.512 4.527 0.002 0.000 0.295 288 F C 2.689 178.440 175.800 -0.081 0.000 1.100 288 F CA 1.349 59.252 58.000 -0.161 0.000 1.260 288 F CB -0.394 38.485 39.000 -0.202 0.000 1.009 288 F HN -0.005 nan 8.300 nan 0.000 0.476 289 V N 1.194 121.068 119.914 -0.067 0.000 2.287 289 V HA -0.324 3.797 4.120 0.002 0.000 0.248 289 V C 2.562 178.577 176.094 -0.131 0.000 1.053 289 V CA 2.389 64.666 62.300 -0.038 0.000 1.027 289 V CB -0.750 31.197 31.823 0.207 0.000 0.646 289 V HN 0.294 nan 8.190 nan 0.000 0.447 290 R N -0.458 119.972 120.500 -0.117 0.000 2.096 290 R HA -0.182 4.160 4.340 0.002 0.000 0.235 290 R C 2.436 178.618 176.300 -0.196 0.000 1.127 290 R CA 1.588 57.602 56.100 -0.144 0.000 0.968 290 R CB -0.306 29.948 30.300 -0.077 0.000 0.861 290 R HN 0.649 nan 8.270 nan 0.000 0.440 291 E N 0.659 120.732 120.200 -0.212 0.000 2.085 291 E HA -0.199 4.152 4.350 0.002 0.000 0.194 291 E C 1.405 177.854 176.600 -0.251 0.000 0.994 291 E CA 1.155 57.423 56.400 -0.220 0.000 0.801 291 E CB 0.070 29.640 29.700 -0.217 0.000 0.743 291 E HN 0.332 nan 8.360 nan 0.000 0.453 292 N N 0.057 118.558 118.700 -0.331 0.000 2.300 292 N HA -0.094 4.647 4.740 0.002 0.000 0.179 292 N C 1.949 177.456 175.510 -0.006 0.000 1.016 292 N CA 0.783 53.711 53.050 -0.203 0.000 0.876 292 N CB 0.168 38.283 38.487 -0.619 0.000 0.979 292 N HN 0.072 nan 8.380 nan 0.000 0.432 293 V N 1.867 121.681 119.914 -0.167 0.000 2.358 293 V HA -0.209 3.912 4.120 0.002 0.000 0.246 293 V C 2.496 178.337 176.094 -0.421 0.000 1.047 293 V CA 1.450 63.403 62.300 -0.579 0.000 1.035 293 V CB -0.427 30.832 31.823 -0.940 0.000 0.658 293 V HN 0.285 nan 8.190 nan 0.000 0.452 294 K N -0.127 120.096 120.400 -0.295 0.000 2.063 294 K HA -0.285 4.036 4.320 0.002 0.000 0.208 294 K C 2.285 178.784 176.600 -0.170 0.000 1.048 294 K CA 2.009 58.160 56.287 -0.226 0.000 0.928 294 K CB -0.169 32.224 32.500 -0.179 0.000 0.713 294 K HN 0.528 nan 8.250 nan 0.000 0.442 295 Q N 0.439 120.157 119.800 -0.137 0.000 2.046 295 Q HA -0.143 4.199 4.340 0.002 0.000 0.200 295 Q C 2.151 178.178 176.000 0.046 0.000 0.975 295 Q CA 1.437 57.179 55.803 -0.101 0.000 0.836 295 Q CB -0.043 28.527 28.738 -0.280 0.000 0.896 295 Q HN 0.383 nan 8.270 nan 0.000 0.428 296 L N 0.122 121.401 121.223 0.094 0.000 2.042 296 L HA -0.228 4.113 4.340 0.002 0.000 0.210 296 L C 2.553 179.424 176.870 0.002 0.000 1.076 296 L CA 1.214 56.058 54.840 0.006 0.000 0.749 296 L CB -0.646 41.126 42.059 -0.480 0.000 0.893 296 L HN 0.306 nan 8.230 nan 0.000 0.432 297 A N -0.316 122.396 122.820 -0.179 0.000 1.898 297 A HA -0.205 4.117 4.320 0.002 0.000 0.216 297 A C 1.923 179.262 177.584 -0.408 0.000 1.181 297 A CA 1.780 53.641 52.037 -0.294 0.000 0.620 297 A CB -0.476 18.331 19.000 -0.322 0.000 0.819 297 A HN 0.336 nan 8.150 nan 0.000 0.442 298 D N -0.188 120.108 120.400 -0.174 0.000 2.123 298 D HA -0.164 4.477 4.640 0.002 0.000 0.196 298 D C 2.014 178.329 176.300 0.025 0.000 0.992 298 D CA 1.581 55.554 54.000 -0.046 0.000 0.833 298 D CB -0.377 40.409 40.800 -0.023 0.000 0.954 298 D HN 0.504 nan 8.370 nan 0.000 0.455 299 M N 0.352 120.006 119.600 0.089 0.000 2.086 299 M HA -0.133 4.348 4.480 0.002 0.000 0.261 299 M C 2.354 178.733 176.300 0.132 0.000 1.067 299 M CA 1.031 56.417 55.300 0.143 0.000 1.116 299 M CB -0.155 32.610 32.600 0.275 0.000 1.348 299 M HN -0.132 nan 8.290 nan 0.000 0.407 300 S N -0.438 115.399 115.700 0.229 0.000 2.365 300 S HA -0.218 4.253 4.470 0.002 0.000 0.225 300 S C 1.659 176.358 174.600 0.165 0.000 1.039 300 S CA 1.606 59.926 58.200 0.199 0.000 1.033 300 S CB -0.884 62.473 63.200 0.262 0.000 0.887 300 S HN 0.581 nan 8.310 nan 0.000 0.447 301 H N 0.834 119.973 119.070 0.116 0.000 2.387 301 H HA 0.050 4.607 4.556 0.002 0.000 0.299 301 H C 2.457 177.810 175.328 0.041 0.000 1.090 301 H CA 0.764 56.853 56.048 0.069 0.000 1.332 301 H CB -0.155 29.639 29.762 0.053 0.000 1.386 301 H HN 0.455 nan 8.280 nan 0.000 0.516 302 A N 1.064 123.977 122.820 0.155 0.000 1.969 302 A HA -0.029 4.292 4.320 0.002 0.000 0.218 302 A C 2.344 179.954 177.584 0.044 0.000 1.169 302 A CA 1.210 53.292 52.037 0.076 0.000 0.635 302 A CB -0.539 18.489 19.000 0.046 0.000 0.810 302 A HN 0.450 nan 8.150 nan 0.000 0.445 303 A N -1.608 121.234 122.820 0.038 0.000 2.238 303 A HA 0.416 4.737 4.320 0.002 0.000 0.208 303 A C 1.647 179.240 177.584 0.016 0.000 1.177 303 A CA 1.093 53.129 52.037 -0.001 0.000 0.804 303 A CB -0.996 17.973 19.000 -0.052 0.000 0.823 303 A HN 1.874 nan 8.150 nan 0.000 0.482 304 G N -0.563 108.269 108.800 0.054 0.000 2.149 304 G HA2 -0.223 3.738 3.960 0.002 0.000 0.235 304 G HA3 -0.223 3.738 3.960 0.002 0.000 0.235 304 G C -0.034 174.910 174.900 0.074 0.000 1.018 304 G CA 0.522 45.654 45.100 0.053 0.000 0.728 304 G HN 0.607 nan 8.290 nan 0.000 0.508 305 K N -0.238 120.235 120.400 0.121 0.000 2.340 305 K HA 0.593 4.914 4.320 0.002 0.000 0.244 305 K C -0.142 176.599 176.600 0.235 0.000 0.973 305 K CA -0.913 55.457 56.287 0.140 0.000 0.828 305 K CB 2.029 34.600 32.500 0.119 0.000 1.226 305 K HN 0.267 nan 8.250 nan 0.000 0.437 306 E N 0.446 120.763 120.200 0.196 0.000 2.248 306 E HA 0.449 4.800 4.350 0.002 0.000 0.272 306 E C -0.987 175.726 176.600 0.188 0.000 1.008 306 E CA -0.867 55.677 56.400 0.241 0.000 0.856 306 E CB 1.722 31.535 29.700 0.190 0.000 1.120 306 E HN 0.559 nan 8.360 nan 0.000 0.397 307 A N 2.922 125.870 122.820 0.213 0.000 2.304 307 A HA 0.498 4.819 4.320 0.002 0.000 0.314 307 A C -0.671 177.013 177.584 0.167 0.000 1.187 307 A CA -0.543 51.647 52.037 0.254 0.000 0.810 307 A CB 0.511 19.662 19.000 0.253 0.000 1.183 307 A HN 0.640 nan 8.150 nan 0.000 0.487 308 M N 4.284 123.959 119.600 0.125 0.000 2.383 308 M HA 0.670 5.151 4.480 0.002 0.000 0.325 308 M C -1.121 175.247 176.300 0.112 0.000 1.092 308 M CA -0.591 54.721 55.300 0.020 0.000 0.961 308 M CB 1.609 34.130 32.600 -0.130 0.000 1.672 308 M HN 0.801 nan 8.290 nan 0.000 0.438 309 M N 4.801 124.468 119.600 0.111 0.000 2.294 309 M HA 0.404 4.885 4.480 0.002 0.000 0.335 309 M C -1.791 174.572 176.300 0.106 0.000 1.079 309 M CA -0.686 54.675 55.300 0.101 0.000 0.982 309 M CB 1.357 34.128 32.600 0.285 0.000 1.651 309 M HN 0.807 nan 8.290 nan 0.000 0.437 310 F N 5.925 125.826 119.950 -0.082 0.000 2.467 310 F HA 0.295 4.824 4.527 0.002 0.000 0.362 310 F C -0.766 174.995 175.800 -0.066 0.000 1.090 310 F CA -0.657 57.302 58.000 -0.068 0.000 1.202 310 F CB 0.594 39.552 39.000 -0.070 0.000 1.113 310 F HN 0.572 nan 8.300 nan 0.000 0.541 311 L N 7.493 128.315 121.223 -0.668 0.000 2.415 311 L HA 0.529 4.870 4.340 0.002 0.000 0.269 311 L C 0.122 176.189 176.870 -1.337 0.000 1.244 311 L CA 0.711 55.073 54.840 -0.796 0.000 1.113 311 L CB -1.009 40.744 42.059 -0.509 0.000 1.352 311 L HN 0.832 nan 8.230 nan 0.000 0.433 312 G N 1.543 109.601 108.800 -1.238 0.000 2.341 312 G HA2 0.253 4.214 3.960 0.002 0.000 0.293 312 G HA3 0.253 4.214 3.960 0.002 0.000 0.293 312 G C -0.750 174.204 174.900 0.091 0.000 1.298 312 G CA -0.209 44.400 45.100 -0.817 0.000 0.868 312 G HN 0.313 nan 8.290 nan 0.000 0.540 313 D N -0.649 120.128 120.400 0.629 0.000 3.910 313 D HA -0.221 4.420 4.640 0.002 0.000 0.153 313 D C 1.293 177.868 176.300 0.459 0.000 0.802 313 D CA 2.114 56.440 54.000 0.543 0.000 1.009 313 D CB -0.688 40.337 40.800 0.375 0.000 0.453 313 D HN 0.643 nan 8.370 nan 0.000 0.422 314 Q N 1.121 121.083 119.800 0.270 0.000 3.141 314 Q HA 0.098 4.440 4.340 0.002 0.000 0.304 314 Q C 0.734 176.908 176.000 0.290 0.000 1.305 314 Q CA -0.023 55.905 55.803 0.207 0.000 0.929 314 Q CB -0.707 28.075 28.738 0.072 0.000 1.701 314 Q HN 0.534 nan 8.270 nan 0.000 0.483 315 W N -0.731 120.611 121.300 0.070 0.000 3.220 315 W HA 0.284 4.945 4.660 0.002 0.000 0.328 315 W C -0.911 175.638 176.519 0.051 0.000 1.205 315 W CA -0.607 56.762 57.345 0.039 0.000 1.773 315 W CB 0.080 29.477 29.460 -0.105 0.000 1.086 315 W HN 0.006 nan 8.180 nan 0.000 0.622 316 I N 2.470 122.860 120.570 -0.299 0.000 2.648 316 I HA 0.225 4.396 4.170 0.002 0.000 0.284 316 I C 1.736 177.804 176.117 -0.083 0.000 1.153 316 I CA 1.324 62.404 61.300 -0.365 0.000 1.426 316 I CB -0.204 37.715 38.000 -0.135 0.000 1.381 316 I HN 0.443 nan 8.210 nan 0.000 0.571 317 G N 4.329 113.037 108.800 -0.153 0.000 2.199 317 G HA2 -0.340 3.621 3.960 0.002 0.000 0.254 317 G HA3 -0.340 3.621 3.960 0.002 0.000 0.254 317 G C 0.920 175.825 174.900 0.009 0.000 0.982 317 G CA 0.791 45.870 45.100 -0.035 0.000 0.632 317 G HN 0.693 nan 8.290 nan 0.000 0.529 318 T N -1.790 112.775 114.554 0.019 0.000 2.851 318 T HA 0.264 4.616 4.350 0.002 0.000 0.262 318 T C 0.864 175.644 174.700 0.132 0.000 1.043 318 T CA 1.203 63.397 62.100 0.156 0.000 1.140 318 T CB -0.084 68.978 68.868 0.322 0.000 0.872 318 T HN 0.736 nan 8.240 nan 0.000 0.446 319 E N 1.704 121.885 120.200 -0.032 0.000 2.240 319 E HA -0.115 4.236 4.350 0.002 0.000 0.194 319 E C -1.796 174.669 176.600 -0.226 0.000 1.385 319 E CA 0.653 57.007 56.400 -0.075 0.000 0.686 319 E CB -1.177 28.510 29.700 -0.021 0.000 1.125 319 E HN 0.474 nan 8.360 nan 0.000 0.359 320 P HA -0.161 nan 4.420 nan 0.000 0.222 320 P C 0.926 177.699 177.300 -0.880 0.000 1.147 320 P CA 1.303 63.516 63.100 -1.479 0.000 0.790 320 P CB -0.008 30.991 31.700 -1.168 0.000 0.780 321 Y N -0.407 119.734 120.300 -0.266 0.000 2.485 321 Y HA 0.229 4.780 4.550 0.002 0.000 0.260 321 Y C 1.197 177.066 175.900 -0.053 0.000 1.173 321 Y CA -0.107 57.921 58.100 -0.120 0.000 1.252 321 Y CB 0.093 38.498 38.460 -0.092 0.000 1.123 321 Y HN -0.162 nan 8.280 nan 0.000 0.524 322 K N 0.849 121.285 120.400 0.060 0.000 2.110 322 K HA 0.144 4.465 4.320 0.002 0.000 0.263 322 K C -0.645 176.016 176.600 0.101 0.000 0.975 322 K CA -0.886 55.452 56.287 0.083 0.000 0.895 322 K CB 0.732 33.275 32.500 0.071 0.000 1.060 322 K HN -0.047 nan 8.250 nan 0.000 0.448 323 D N 0.422 120.877 120.400 0.092 0.000 2.449 323 D HA 0.062 4.703 4.640 0.002 0.000 0.236 323 D C 1.244 177.602 176.300 0.097 0.000 1.149 323 D CA 1.257 55.310 54.000 0.089 0.000 0.878 323 D CB 0.941 41.780 40.800 0.065 0.000 1.198 323 D HN 0.828 nan 8.370 nan 0.000 0.446 324 G N 1.059 109.917 108.800 0.096 0.000 2.213 324 G HA2 -0.339 3.623 3.960 0.002 0.000 0.226 324 G HA3 -0.339 3.623 3.960 0.002 0.000 0.226 324 G C 0.885 175.841 174.900 0.094 0.000 0.992 324 G CA 0.148 45.291 45.100 0.073 0.000 0.632 324 G HN 0.452 nan 8.290 nan 0.000 0.511 325 F N 3.164 123.105 119.950 -0.016 0.000 2.161 325 F HA -0.063 4.465 4.527 0.002 0.000 0.300 325 F C 2.543 178.325 175.800 -0.029 0.000 1.089 325 F CA 2.461 60.443 58.000 -0.030 0.000 1.282 325 F CB -0.056 38.920 39.000 -0.040 0.000 1.010 325 F HN 0.361 nan 8.300 nan 0.000 0.485 326 D N -0.060 120.361 120.400 0.034 0.000 2.221 326 D HA -0.253 4.388 4.640 0.002 0.000 0.204 326 D C 1.502 177.740 176.300 -0.102 0.000 0.982 326 D CA 1.634 55.606 54.000 -0.046 0.000 0.857 326 D CB -0.999 39.817 40.800 0.026 0.000 0.934 326 D HN 0.505 nan 8.370 nan 0.000 0.475 327 E N 0.032 120.179 120.200 -0.087 0.000 2.418 327 E HA 0.026 4.377 4.350 0.002 0.000 0.197 327 E C 2.236 178.757 176.600 -0.132 0.000 1.026 327 E CA -0.023 56.327 56.400 -0.083 0.000 0.862 327 E CB -0.058 29.610 29.700 -0.054 0.000 0.799 327 E HN 0.376 nan 8.360 nan 0.000 0.518 328 L N -0.220 120.862 121.223 -0.234 0.000 2.131 328 L HA -0.068 4.273 4.340 0.002 0.000 0.210 328 L C 1.735 178.489 176.870 -0.194 0.000 1.092 328 L CA 0.934 55.604 54.840 -0.284 0.000 0.759 328 L CB -0.603 41.161 42.059 -0.492 0.000 0.903 328 L HN 0.345 nan 8.230 nan 0.000 0.435 329 G N 0.424 109.137 108.800 -0.144 0.000 2.160 329 G HA2 -0.286 3.675 3.960 0.002 0.000 0.251 329 G HA3 -0.286 3.675 3.960 0.002 0.000 0.251 329 G C 0.207 175.139 174.900 0.053 0.000 1.008 329 G CA -0.181 44.921 45.100 0.003 0.000 0.724 329 G HN 0.226 nan 8.290 nan 0.000 0.514 330 L N 0.567 121.720 121.223 -0.118 0.000 2.499 330 L HA 0.154 4.495 4.340 0.002 0.000 0.273 330 L C 1.487 178.354 176.870 -0.004 0.000 1.195 330 L CA -0.039 54.762 54.840 -0.065 0.000 0.882 330 L CB 0.388 42.352 42.059 -0.159 0.000 1.133 330 L HN 0.166 nan 8.230 nan 0.000 0.483 331 D N 2.352 122.784 120.400 0.054 0.000 2.183 331 D HA 0.059 4.700 4.640 0.002 0.000 0.203 331 D C 0.476 176.608 176.300 -0.280 0.000 0.969 331 D CA 1.003 54.999 54.000 -0.007 0.000 0.842 331 D CB 0.521 41.378 40.800 0.096 0.000 0.957 331 D HN 0.610 nan 8.370 nan 0.000 0.484 332 A N 0.124 122.759 122.820 -0.309 0.000 2.606 332 A HA 0.528 4.849 4.320 0.002 0.000 0.293 332 A C -1.315 176.171 177.584 -0.164 0.000 1.082 332 A CA -0.564 51.179 52.037 -0.490 0.000 0.685 332 A CB 1.936 20.296 19.000 -1.067 0.000 1.284 332 A HN -0.083 nan 8.150 nan 0.000 0.408 333 V N 0.768 120.625 119.914 -0.095 0.000 2.540 333 V HA 0.683 4.804 4.120 0.002 0.000 0.302 333 V C -0.468 175.635 176.094 0.015 0.000 1.035 333 V CA -0.611 61.694 62.300 0.009 0.000 0.873 333 V CB 1.543 33.392 31.823 0.043 0.000 0.992 333 V HN 1.017 nan 8.190 nan 0.000 0.428 334 V N 4.018 123.967 119.914 0.058 0.000 2.628 334 V HA 1.034 5.155 4.120 0.002 0.000 0.306 334 V C 0.201 176.359 176.094 0.106 0.000 1.045 334 V CA 0.439 62.804 62.300 0.108 0.000 0.905 334 V CB 1.784 33.709 31.823 0.169 0.000 0.997 334 V HN 1.057 nan 8.190 nan 0.000 0.436 335 G N 2.897 111.733 108.800 0.060 0.000 2.708 335 G HA2 0.536 4.497 3.960 0.002 0.000 0.289 335 G HA3 0.536 4.497 3.960 0.002 0.000 0.289 335 G C -1.130 173.772 174.900 0.003 0.000 1.416 335 G CA -0.586 44.501 45.100 -0.022 0.000 0.829 335 G HN 0.811 nan 8.290 nan 0.000 0.480 336 S N 0.448 116.132 115.700 -0.028 0.000 2.499 336 S HA 0.350 4.821 4.470 0.002 0.000 0.275 336 S C 0.205 174.735 174.600 -0.117 0.000 1.257 336 S CA -0.418 57.753 58.200 -0.048 0.000 1.050 336 S CB 0.829 63.999 63.200 -0.050 0.000 0.937 336 S HN 0.367 nan 8.310 nan 0.000 0.490 337 I N 3.783 124.208 120.570 -0.242 0.000 2.291 337 I HA 0.221 4.392 4.170 0.002 0.000 0.292 337 I C 1.292 177.303 176.117 -0.178 0.000 1.064 337 I CA 0.056 61.153 61.300 -0.339 0.000 1.269 337 I CB 0.087 37.590 38.000 -0.828 0.000 1.418 337 I HN 0.888 nan 8.210 nan 0.000 0.485 338 G N 5.184 113.908 108.800 -0.126 0.000 2.850 338 G HA2 0.204 4.165 3.960 0.002 0.000 0.211 338 G HA3 0.204 4.165 3.960 0.002 0.000 0.211 338 G C -0.014 174.839 174.900 -0.078 0.000 1.124 338 G CA 0.278 45.326 45.100 -0.088 0.000 0.769 338 G HN 0.651 nan 8.290 nan 0.000 0.535 339 D N -3.594 116.740 120.400 -0.110 0.000 2.896 339 D HA 0.168 4.809 4.640 0.002 0.000 0.326 339 D C 1.163 177.356 176.300 -0.180 0.000 1.348 339 D CA 0.122 54.053 54.000 -0.114 0.000 0.746 339 D CB 0.147 40.903 40.800 -0.073 0.000 1.307 339 D HN 0.038 nan 8.370 nan 0.000 0.447 340 G N -0.767 107.890 108.800 -0.239 0.000 2.402 340 G HA2 -0.160 3.801 3.960 0.002 0.000 0.216 340 G HA3 -0.160 3.801 3.960 0.002 0.000 0.216 340 G C 1.133 175.813 174.900 -0.367 0.000 1.162 340 G CA 1.773 46.694 45.100 -0.298 0.000 0.777 340 G HN 0.531 nan 8.290 nan 0.000 0.539 341 T N 1.247 115.599 114.554 -0.337 0.000 2.708 341 T HA -0.158 4.194 4.350 0.002 0.000 0.266 341 T C 2.823 177.385 174.700 -0.230 0.000 1.037 341 T CA 2.223 64.139 62.100 -0.307 0.000 1.146 341 T CB -0.685 68.016 68.868 -0.279 0.000 0.865 341 T HN 0.562 nan 8.240 nan 0.000 0.435 342 T N 0.255 114.695 114.554 -0.189 0.000 2.915 342 T HA -0.092 4.259 4.350 0.002 0.000 0.269 342 T C 2.033 176.636 174.700 -0.162 0.000 1.071 342 T CA 1.480 63.474 62.100 -0.177 0.000 1.132 342 T CB -0.909 67.798 68.868 -0.268 0.000 0.878 342 T HN 0.281 nan 8.240 nan 0.000 0.479 343 T N 1.793 116.217 114.554 -0.216 0.000 2.737 343 T HA -0.017 4.334 4.350 0.002 0.000 0.265 343 T C 2.201 176.772 174.700 -0.214 0.000 1.038 343 T CA 0.812 62.792 62.100 -0.199 0.000 1.144 343 T CB -0.153 68.602 68.868 -0.189 0.000 0.866 343 T HN 0.273 nan 8.240 nan 0.000 0.434 344 R N 0.896 121.153 120.500 -0.406 0.000 2.115 344 R HA 0.161 4.503 4.340 0.002 0.000 0.230 344 R C 2.435 178.575 176.300 -0.268 0.000 1.111 344 R CA 0.828 56.567 56.100 -0.601 0.000 0.976 344 R CB -0.771 28.523 30.300 -1.677 0.000 0.870 344 R HN 0.479 nan 8.270 nan 0.000 0.445 345 M N 0.038 119.581 119.600 -0.095 0.000 2.108 345 M HA -0.214 4.268 4.480 0.002 0.000 0.257 345 M C 2.155 178.575 176.300 0.200 0.000 1.071 345 M CA 1.822 57.232 55.300 0.184 0.000 1.093 345 M CB -0.430 32.277 32.600 0.179 0.000 1.345 345 M HN 0.044 nan 8.290 nan 0.000 0.403 346 I N -0.522 120.081 120.570 0.055 0.000 2.277 346 I HA -0.135 4.036 4.170 0.002 0.000 0.243 346 I C 2.701 178.855 176.117 0.061 0.000 1.094 346 I CA 0.958 62.275 61.300 0.029 0.000 1.393 346 I CB -0.576 37.418 38.000 -0.010 0.000 1.078 346 I HN 0.199 nan 8.210 nan 0.000 0.417 347 A N 0.453 123.304 122.820 0.052 0.000 1.933 347 A HA -0.220 4.102 4.320 0.002 0.000 0.218 347 A C 1.635 179.297 177.584 0.130 0.000 1.175 347 A CA 2.063 54.149 52.037 0.081 0.000 0.628 347 A CB -0.569 18.452 19.000 0.035 0.000 0.814 347 A HN 0.356 nan 8.150 nan 0.000 0.444 348 D N -0.562 119.964 120.400 0.209 0.000 2.340 348 D HA 0.177 4.818 4.640 0.002 0.000 0.220 348 D C 0.189 176.650 176.300 0.268 0.000 1.039 348 D CA 0.012 54.208 54.000 0.325 0.000 0.866 348 D CB -0.154 40.971 40.800 0.540 0.000 0.913 348 D HN 0.448 nan 8.370 nan 0.000 0.523 349 I N 3.157 123.747 120.570 0.034 0.000 2.598 349 I HA 0.081 4.253 4.170 0.002 0.000 0.284 349 I C -1.744 174.336 176.117 -0.062 0.000 1.140 349 I CA -1.250 59.876 61.300 -0.290 0.000 1.420 349 I CB 0.611 38.413 38.000 -0.330 0.000 1.387 349 I HN -0.134 nan 8.210 nan 0.000 0.553 350 P HA 0.336 nan 4.420 nan 0.000 0.284 350 P C 0.369 177.745 177.300 0.126 0.000 1.287 350 P CA -0.280 62.860 63.100 0.066 0.000 0.824 350 P CB 1.456 33.206 31.700 0.084 0.000 1.180 351 G N -1.476 107.396 108.800 0.121 0.000 2.157 351 G HA2 -0.121 3.841 3.960 0.002 0.000 0.248 351 G HA3 -0.121 3.841 3.960 0.002 0.000 0.248 351 G C -0.062 174.887 174.900 0.081 0.000 0.979 351 G CA 0.178 45.352 45.100 0.123 0.000 0.650 351 G HN 0.758 nan 8.290 nan 0.000 0.529 352 V N -3.731 116.239 119.914 0.092 0.000 3.113 352 V HA 0.921 5.042 4.120 0.002 0.000 0.316 352 V C 1.155 177.285 176.094 0.060 0.000 1.125 352 V CA -0.495 61.832 62.300 0.044 0.000 1.026 352 V CB 1.639 33.483 31.823 0.035 0.000 1.080 352 V HN -0.063 nan 8.190 nan 0.000 0.444 353 K N 0.518 120.950 120.400 0.054 0.000 2.116 353 K HA 0.254 4.575 4.320 0.002 0.000 0.203 353 K C 0.063 176.824 176.600 0.269 0.000 1.052 353 K CA 1.693 58.073 56.287 0.155 0.000 0.952 353 K CB -0.272 32.356 32.500 0.214 0.000 0.729 353 K HN 0.904 nan 8.250 nan 0.000 0.446 354 Y N -3.047 117.310 120.300 0.095 0.000 2.656 354 Y HA 0.570 5.121 4.550 0.002 0.000 0.334 354 Y C -0.843 175.128 175.900 0.118 0.000 1.179 354 Y CA -1.587 56.579 58.100 0.109 0.000 1.050 354 Y CB 0.916 39.439 38.460 0.106 0.000 1.308 354 Y HN -0.104 nan 8.280 nan 0.000 0.456 355 T N -1.119 113.605 114.554 0.283 0.000 2.924 355 T HA 0.705 5.056 4.350 0.002 0.000 0.291 355 T C -1.255 173.614 174.700 0.281 0.000 1.045 355 T CA -0.768 61.440 62.100 0.181 0.000 1.015 355 T CB 2.534 71.495 68.868 0.155 0.000 1.103 355 T HN 0.919 nan 8.240 nan 0.000 0.496 356 E N -0.201 120.121 120.200 0.203 0.000 2.331 356 E HA 0.571 4.922 4.350 0.002 0.000 0.275 356 E C -0.781 175.897 176.600 0.130 0.000 0.895 356 E CA -1.011 55.517 56.400 0.214 0.000 0.753 356 E CB 1.724 31.577 29.700 0.254 0.000 1.216 356 E HN 1.017 nan 8.360 nan 0.000 0.434 357 G N 2.940 111.821 108.800 0.135 0.000 2.372 357 G HA2 0.314 4.275 3.960 0.002 0.000 0.323 357 G HA3 0.314 4.275 3.960 0.002 0.000 0.323 357 G C -0.778 174.102 174.900 -0.033 0.000 1.152 357 G CA -0.559 44.524 45.100 -0.030 0.000 0.906 357 G HN 0.272 nan 8.290 nan 0.000 0.460 358 R N 2.973 123.394 120.500 -0.132 0.000 2.204 358 R HA 0.297 4.638 4.340 0.002 0.000 0.341 358 R C -0.861 175.302 176.300 -0.227 0.000 1.035 358 R CA -0.507 55.518 56.100 -0.125 0.000 0.887 358 R CB 0.136 30.406 30.300 -0.050 0.000 1.114 358 R HN 0.404 nan 8.270 nan 0.000 0.473 359 F N 3.010 122.713 119.950 -0.412 0.000 2.368 359 F HA 0.335 4.863 4.527 0.002 0.000 0.308 359 F C 0.932 176.718 175.800 -0.023 0.000 1.198 359 F CA -0.404 57.420 58.000 -0.293 0.000 1.130 359 F CB 0.742 39.424 39.000 -0.530 0.000 1.300 359 F HN 0.169 nan 8.300 nan 0.000 0.537 360 L N 2.134 123.573 121.223 0.360 0.000 2.322 360 L HA 0.476 4.817 4.340 0.002 0.000 0.269 360 L C -2.307 174.940 176.870 0.629 0.000 1.012 360 L CA -2.064 53.027 54.840 0.418 0.000 0.815 360 L CB 1.843 44.062 42.059 0.267 0.000 1.295 360 L HN 0.291 nan 8.230 nan 0.000 0.438 361 P HA 0.030 nan 4.420 nan 0.000 0.277 361 P C -1.162 176.503 177.300 0.608 0.000 1.240 361 P CA -0.308 63.081 63.100 0.481 0.000 0.798 361 P CB 0.555 32.438 31.700 0.304 0.000 0.979 362 Y N 2.173 122.672 120.300 0.332 0.000 2.610 362 Y HA 0.094 4.645 4.550 0.002 0.000 0.332 362 Y C 0.146 176.356 175.900 0.518 0.000 1.201 362 Y CA 0.001 58.247 58.100 0.243 0.000 1.465 362 Y CB -0.090 38.433 38.460 0.106 0.000 1.283 362 Y HN 0.139 nan 8.280 nan 0.000 0.563 363 F N 7.950 127.715 119.950 -0.308 0.000 2.600 363 F HA 0.221 4.749 4.527 0.002 0.000 0.345 363 F C -0.515 175.227 175.800 -0.098 0.000 1.271 363 F CA -0.602 57.154 58.000 -0.408 0.000 1.138 363 F CB -1.562 37.137 39.000 -0.501 0.000 1.449 363 F HN 0.278 nan 8.300 nan 0.000 0.645 364 F N 3.192 123.268 119.950 0.210 0.000 2.645 364 F HA 0.456 4.985 4.527 0.002 0.000 0.310 364 F C -1.989 174.013 175.800 0.337 0.000 1.102 364 F CA -2.558 55.635 58.000 0.323 0.000 0.952 364 F CB 2.230 41.497 39.000 0.445 0.000 1.326 364 F HN -0.088 nan 8.300 nan 0.000 0.456 365 P HA -0.104 nan 4.420 nan 0.000 0.225 365 P C 0.857 178.326 177.300 0.281 0.000 1.148 365 P CA 1.392 64.563 63.100 0.118 0.000 0.779 365 P CB 0.040 31.688 31.700 -0.088 0.000 0.780 366 D N -1.267 119.364 120.400 0.386 0.000 2.264 366 D HA -0.120 4.522 4.640 0.002 0.000 0.208 366 D C 1.490 178.019 176.300 0.382 0.000 0.966 366 D CA 1.907 56.102 54.000 0.325 0.000 0.864 366 D CB -1.056 39.939 40.800 0.325 0.000 0.933 366 D HN 0.250 nan 8.370 nan 0.000 0.499 367 T N -3.228 111.541 114.554 0.359 0.000 2.987 367 T HA 0.182 4.533 4.350 0.002 0.000 0.248 367 T C 0.452 174.975 174.700 -0.294 0.000 0.997 367 T CA -0.529 61.628 62.100 0.095 0.000 1.013 367 T CB -0.700 68.149 68.868 -0.032 0.000 1.077 367 T HN -0.023 nan 8.240 nan 0.000 0.483 368 F N 3.894 123.749 119.950 -0.158 0.000 2.541 368 F HA 0.466 4.995 4.527 0.003 0.000 0.351 368 F C -0.437 175.346 175.800 -0.029 0.000 1.209 368 F CA -1.362 56.323 58.000 -0.525 0.000 1.277 368 F CB -0.192 38.482 39.000 -0.542 0.000 1.632 368 F HN 0.358 nan 8.300 nan 0.000 0.619 369 Y N -1.454 118.898 120.300 0.088 0.000 2.545 369 Y HA 0.479 5.030 4.550 0.002 0.000 0.348 369 Y C -0.323 175.765 175.900 0.315 0.000 1.002 369 Y CA -2.076 56.162 58.100 0.230 0.000 1.039 369 Y CB 0.611 39.135 38.460 0.106 0.000 1.271 369 Y HN 0.183 nan 8.280 nan 0.000 0.467 370 E N 1.327 121.750 120.200 0.370 0.000 2.480 370 E HA 0.325 4.676 4.350 0.002 0.000 0.258 370 E C 0.878 177.567 176.600 0.148 0.000 0.984 370 E CA 1.588 58.102 56.400 0.191 0.000 0.930 370 E CB -0.031 29.738 29.700 0.114 0.000 0.936 370 E HN 1.125 nan 8.360 nan 0.000 0.466 371 G N 3.606 112.436 108.800 0.050 0.000 2.213 371 G HA2 -0.272 3.689 3.960 0.002 0.000 0.226 371 G HA3 -0.272 3.689 3.960 0.002 0.000 0.226 371 G C 0.218 175.065 174.900 -0.088 0.000 0.992 371 G CA 0.119 45.233 45.100 0.024 0.000 0.632 371 G HN 0.603 nan 8.290 nan 0.000 0.511 372 N N 0.883 119.386 118.700 -0.329 0.000 2.508 372 N HA 0.512 5.253 4.740 0.002 0.000 0.285 372 N C -1.285 174.087 175.510 -0.231 0.000 1.144 372 N CA -0.412 52.355 53.050 -0.471 0.000 0.978 372 N CB 1.391 39.184 38.487 -1.158 0.000 1.180 372 N HN 0.058 nan 8.380 nan 0.000 0.484 373 D N 2.293 122.582 120.400 -0.185 0.000 2.460 373 D HA 0.330 4.971 4.640 0.002 0.000 0.268 373 D C -1.909 174.294 176.300 -0.162 0.000 1.153 373 D CA -2.002 51.941 54.000 -0.095 0.000 0.929 373 D CB 1.001 41.794 40.800 -0.012 0.000 1.015 373 D HN 0.394 nan 8.370 nan 0.000 0.502 374 P HA -0.105 nan 4.420 nan 0.000 0.230 374 P C 1.248 178.559 177.300 0.019 0.000 1.158 374 P CA 0.499 63.318 63.100 -0.469 0.000 0.769 374 P CB 0.149 30.987 31.700 -1.436 0.000 0.807 375 S N -0.330 115.497 115.700 0.212 0.000 2.399 375 S HA -0.121 4.351 4.470 0.002 0.000 0.231 375 S C 2.008 176.718 174.600 0.183 0.000 1.022 375 S CA 0.698 59.083 58.200 0.308 0.000 0.983 375 S CB -1.442 61.881 63.200 0.205 0.000 0.803 375 S HN 0.084 nan 8.310 nan 0.000 0.480 376 I N 1.946 122.584 120.570 0.112 0.000 2.202 376 I HA -0.159 4.013 4.170 0.002 0.000 0.242 376 I C 2.971 179.164 176.117 0.126 0.000 1.091 376 I CA 1.891 63.248 61.300 0.096 0.000 1.368 376 I CB -0.430 37.603 38.000 0.056 0.000 1.058 376 I HN 0.463 nan 8.210 nan 0.000 0.410 377 E N 1.262 121.531 120.200 0.115 0.000 2.110 377 E HA -0.184 4.167 4.350 0.002 0.000 0.193 377 E C 2.259 179.011 176.600 0.253 0.000 0.988 377 E CA 1.346 57.836 56.400 0.149 0.000 0.804 377 E CB -0.215 29.546 29.700 0.101 0.000 0.745 377 E HN 0.480 nan 8.360 nan 0.000 0.458 378 G N 1.495 110.499 108.800 0.339 0.000 2.446 378 G HA2 -0.260 3.702 3.960 0.002 0.000 0.217 378 G HA3 -0.260 3.702 3.960 0.002 0.000 0.217 378 G C 1.586 176.708 174.900 0.370 0.000 1.168 378 G CA 0.657 46.025 45.100 0.445 0.000 0.771 378 G HN 0.263 nan 8.290 nan 0.000 0.551 379 L N 0.110 121.506 121.223 0.288 0.000 2.156 379 L HA -0.022 4.320 4.340 0.002 0.000 0.208 379 L C 2.560 179.611 176.870 0.303 0.000 1.095 379 L CA 1.435 56.464 54.840 0.316 0.000 0.770 379 L CB -0.243 41.953 42.059 0.227 0.000 0.914 379 L HN 0.252 nan 8.230 nan 0.000 0.439 380 D N 0.046 120.584 120.400 0.230 0.000 2.117 380 D HA -0.256 4.386 4.640 0.002 0.000 0.197 380 D C 1.929 178.350 176.300 0.202 0.000 0.987 380 D CA 1.373 55.481 54.000 0.180 0.000 0.829 380 D CB -0.067 40.819 40.800 0.142 0.000 0.961 380 D HN 0.183 nan 8.370 nan 0.000 0.460 381 N N -0.432 118.429 118.700 0.268 0.000 2.120 381 N HA -0.177 4.564 4.740 0.002 0.000 0.188 381 N C 2.007 177.763 175.510 0.409 0.000 1.024 381 N CA 1.015 54.244 53.050 0.297 0.000 0.852 381 N CB -0.463 38.239 38.487 0.357 0.000 1.003 381 N HN 0.487 nan 8.380 nan 0.000 0.424 382 W N 2.103 123.576 121.300 0.288 0.000 2.355 382 W HA -0.159 4.502 4.660 0.002 0.000 0.309 382 W C 2.023 178.670 176.519 0.213 0.000 1.206 382 W CA 0.796 58.309 57.345 0.278 0.000 1.284 382 W CB -0.191 29.381 29.460 0.187 0.000 1.145 382 W HN 0.092 nan 8.180 nan 0.000 0.502 383 R N 0.427 120.904 120.500 -0.039 0.000 2.083 383 R HA -0.187 4.155 4.340 0.002 0.000 0.237 383 R C 2.337 178.528 176.300 -0.182 0.000 1.137 383 R CA 2.046 58.025 56.100 -0.201 0.000 0.951 383 R CB -0.553 29.736 30.300 -0.018 0.000 0.851 383 R HN 0.185 nan 8.270 nan 0.000 0.434 384 K N 0.068 120.433 120.400 -0.059 0.000 2.103 384 K HA -0.110 4.211 4.320 0.002 0.000 0.207 384 K C 2.116 178.639 176.600 -0.130 0.000 1.048 384 K CA 1.454 57.694 56.287 -0.080 0.000 0.930 384 K CB -0.106 32.371 32.500 -0.039 0.000 0.716 384 K HN 0.169 nan 8.250 nan 0.000 0.444 385 A N 1.403 124.174 122.820 -0.081 0.000 1.930 385 A HA -0.112 4.209 4.320 0.002 0.000 0.215 385 A C 2.093 179.574 177.584 -0.172 0.000 1.176 385 A CA 0.947 52.951 52.037 -0.055 0.000 0.632 385 A CB -0.344 18.773 19.000 0.196 0.000 0.819 385 A HN 0.200 nan 8.150 nan 0.000 0.445 386 R N 0.590 120.803 120.500 -0.478 0.000 2.073 386 R HA -0.205 4.136 4.340 0.002 0.000 0.234 386 R C 2.432 178.547 176.300 -0.308 0.000 1.134 386 R CA 1.832 57.538 56.100 -0.657 0.000 0.952 386 R CB -0.343 29.254 30.300 -1.171 0.000 0.850 386 R HN 0.671 nan 8.270 nan 0.000 0.433 387 R N -0.221 120.129 120.500 -0.250 0.000 2.127 387 R HA -0.059 4.282 4.340 0.002 0.000 0.238 387 R C 1.991 178.215 176.300 -0.127 0.000 1.134 387 R CA 1.473 57.481 56.100 -0.153 0.000 0.975 387 R CB -0.499 29.732 30.300 -0.116 0.000 0.865 387 R HN 0.211 nan 8.270 nan 0.000 0.447 388 A N 1.513 124.240 122.820 -0.155 0.000 1.930 388 A HA 0.077 4.398 4.320 0.002 0.000 0.215 388 A C 2.190 179.717 177.584 -0.095 0.000 1.176 388 A CA 0.705 52.643 52.037 -0.165 0.000 0.632 388 A CB -0.255 18.595 19.000 -0.250 0.000 0.819 388 A HN 0.269 nan 8.150 nan 0.000 0.445 389 I N -0.024 120.515 120.570 -0.052 0.000 2.361 389 I HA -0.237 3.934 4.170 0.002 0.000 0.251 389 I C 2.154 178.302 176.117 0.051 0.000 1.133 389 I CA 0.884 62.202 61.300 0.030 0.000 1.413 389 I CB -0.183 37.874 38.000 0.094 0.000 1.073 389 I HN 0.291 nan 8.210 nan 0.000 0.424 390 L N 0.062 121.308 121.223 0.038 0.000 2.131 390 L HA -0.184 4.158 4.340 0.002 0.000 0.210 390 L C 2.543 179.474 176.870 0.102 0.000 1.092 390 L CA 0.987 55.900 54.840 0.122 0.000 0.759 390 L CB -0.504 41.604 42.059 0.083 0.000 0.903 390 L HN 0.250 nan 8.230 nan 0.000 0.435 391 R N -1.100 119.419 120.500 0.031 0.000 2.140 391 R HA 0.145 4.486 4.340 0.002 0.000 0.213 391 R C 0.784 177.118 176.300 0.056 0.000 1.059 391 R CA 0.348 56.463 56.100 0.025 0.000 1.000 391 R CB -0.077 30.224 30.300 0.002 0.000 0.910 391 R HN 0.092 nan 8.270 nan 0.000 0.455 392 S N 1.262 116.991 115.700 0.049 0.000 2.511 392 S HA 0.383 4.854 4.470 0.002 0.000 0.233 392 S C -2.834 171.816 174.600 0.084 0.000 1.104 392 S CA -1.375 56.869 58.200 0.074 0.000 1.129 392 S CB 1.227 64.467 63.200 0.067 0.000 1.159 392 S HN -0.183 nan 8.310 nan 0.000 0.451 393 P HA 0.231 nan 4.420 nan 0.000 0.266 393 P C -0.365 177.038 177.300 0.173 0.000 1.195 393 P CA -0.146 63.029 63.100 0.126 0.000 0.768 393 P CB 0.220 31.986 31.700 0.110 0.000 0.838 394 I N -1.340 119.371 120.570 0.236 0.000 2.607 394 I HA 0.395 4.567 4.170 0.002 0.000 0.305 394 I C 0.763 177.122 176.117 0.404 0.000 0.995 394 I CA -0.452 61.035 61.300 0.312 0.000 1.148 394 I CB 2.010 40.223 38.000 0.356 0.000 1.323 394 I HN 0.087 nan 8.210 nan 0.000 0.461 395 S N 3.216 119.143 115.700 0.378 0.000 2.387 395 S HA 0.139 4.610 4.470 0.002 0.000 0.226 395 S C 0.660 175.506 174.600 0.411 0.000 1.026 395 S CA 0.581 58.980 58.200 0.331 0.000 0.972 395 S CB -0.250 63.125 63.200 0.290 0.000 0.814 395 S HN 0.675 nan 8.310 nan 0.000 0.477 396 R N -0.168 120.592 120.500 0.434 0.000 2.774 396 R HA 0.656 4.998 4.340 0.002 0.000 0.272 396 R C -0.787 175.432 176.300 -0.135 0.000 1.000 396 R CA -0.585 55.616 56.100 0.168 0.000 0.906 396 R CB 1.754 32.140 30.300 0.143 0.000 1.227 396 R HN 0.249 nan 8.270 nan 0.000 0.468 397 M N -1.091 118.125 119.600 -0.641 0.000 2.788 397 M HA 0.932 5.413 4.480 0.002 0.000 0.291 397 M C -0.253 175.603 176.300 -0.740 0.000 1.213 397 M CA -0.695 54.208 55.300 -0.662 0.000 0.768 397 M CB 2.518 34.283 32.600 -1.392 0.000 1.766 397 M HN 0.657 nan 8.290 nan 0.000 0.460 398 G N -0.663 107.614 108.800 -0.872 0.000 2.313 398 G HA2 0.485 4.446 3.960 0.002 0.000 0.296 398 G HA3 0.485 4.446 3.960 0.002 0.000 0.296 398 G C -2.562 171.840 174.900 -0.830 0.000 1.356 398 G CA -0.799 43.713 45.100 -0.981 0.000 0.833 398 G HN 0.779 nan 8.290 nan 0.000 0.552 399 Y N -1.100 118.957 120.300 -0.404 0.000 2.638 399 Y HA 0.761 5.312 4.550 0.002 0.000 0.339 399 Y C 0.759 176.408 175.900 -0.419 0.000 1.084 399 Y CA -0.036 57.825 58.100 -0.398 0.000 1.068 399 Y CB 2.537 40.624 38.460 -0.621 0.000 1.294 399 Y HN 0.969 nan 8.280 nan 0.000 0.480 400 G N -0.680 107.919 108.800 -0.334 0.000 2.569 400 G HA2 0.618 4.580 3.960 0.002 0.000 0.300 400 G HA3 0.618 4.580 3.960 0.002 0.000 0.300 400 G C -0.296 174.163 174.900 -0.734 0.000 1.269 400 G CA -0.303 44.644 45.100 -0.254 0.000 0.959 400 G HN 1.237 nan 8.290 nan 0.000 0.478 401 G N -0.857 107.585 108.800 -0.596 0.000 2.384 401 G HA2 0.020 3.981 3.960 0.002 0.000 0.200 401 G HA3 0.020 3.981 3.960 0.002 0.000 0.200 401 G C -1.160 173.490 174.900 -0.416 0.000 1.205 401 G CA -0.616 43.967 45.100 -0.863 0.000 1.116 401 G HN 0.900 nan 8.290 nan 0.000 0.547 402 Y N 1.035 121.318 120.300 -0.029 0.000 2.477 402 Y HA 0.502 5.053 4.550 0.002 0.000 0.349 402 Y C 1.588 177.499 175.900 0.019 0.000 0.977 402 Y CA -0.234 57.852 58.100 -0.023 0.000 1.214 402 Y CB 1.253 39.650 38.460 -0.106 0.000 1.124 402 Y HN 0.574 nan 8.280 nan 0.000 0.521 403 L N 2.339 123.695 121.223 0.221 0.000 2.079 403 L HA -0.246 4.096 4.340 0.002 0.000 0.210 403 L C 2.311 179.222 176.870 0.068 0.000 1.081 403 L CA 2.303 57.301 54.840 0.263 0.000 0.752 403 L CB -0.662 41.629 42.059 0.386 0.000 0.896 403 L HN 0.725 nan 8.230 nan 0.000 0.433 404 S N -1.776 113.751 115.700 -0.289 0.000 2.419 404 S HA -0.169 4.302 4.470 0.002 0.000 0.233 404 S C 1.951 176.461 174.600 -0.149 0.000 1.016 404 S CA 1.084 58.969 58.200 -0.525 0.000 0.974 404 S CB -0.670 61.902 63.200 -1.046 0.000 0.786 404 S HN 0.320 nan 8.310 nan 0.000 0.492 405 L N 1.903 123.027 121.223 -0.165 0.000 2.044 405 L HA 0.329 4.670 4.340 0.002 0.000 0.205 405 L C 2.896 179.618 176.870 -0.247 0.000 1.075 405 L CA 1.502 56.247 54.840 -0.158 0.000 0.747 405 L CB -1.636 40.282 42.059 -0.234 0.000 0.903 405 L HN 0.403 nan 8.230 nan 0.000 0.435 406 A N -0.853 121.588 122.820 -0.632 0.000 1.930 406 A HA -0.089 4.233 4.320 0.002 0.000 0.217 406 A C 2.390 179.985 177.584 0.018 0.000 1.175 406 A CA 1.484 53.075 52.037 -0.743 0.000 0.627 406 A CB -0.849 17.362 19.000 -1.316 0.000 0.815 406 A HN 0.416 nan 8.150 nan 0.000 0.443 407 A N -0.098 122.760 122.820 0.062 0.000 2.076 407 A HA -0.153 4.169 4.320 0.002 0.000 0.220 407 A C 1.913 179.590 177.584 0.155 0.000 1.160 407 A CA 1.717 53.840 52.037 0.144 0.000 0.653 407 A CB -0.397 18.742 19.000 0.232 0.000 0.801 407 A HN 0.560 nan 8.150 nan 0.000 0.455 408 K N -1.630 118.884 120.400 0.189 0.000 2.487 408 K HA 0.132 4.453 4.320 0.002 0.000 0.192 408 K C -0.888 175.659 176.600 -0.088 0.000 1.027 408 K CA 0.216 56.538 56.287 0.059 0.000 1.054 408 K CB 0.024 32.537 32.500 0.022 0.000 0.824 408 K HN 0.490 nan 8.250 nan 0.000 0.510 409 F N 1.115 121.142 119.950 0.127 0.000 2.451 409 F HA 0.212 4.740 4.527 0.002 0.000 0.367 409 F C -1.758 174.159 175.800 0.195 0.000 1.100 409 F CA -2.328 55.771 58.000 0.166 0.000 1.171 409 F CB 1.550 40.690 39.000 0.233 0.000 1.405 409 F HN -0.122 nan 8.300 nan 0.000 0.482 410 P HA -0.192 nan 4.420 nan 0.000 0.218 410 P C 1.652 179.056 177.300 0.174 0.000 1.149 410 P CA 1.269 64.462 63.100 0.155 0.000 0.817 410 P CB 0.362 32.102 31.700 0.066 0.000 0.785 411 K N -0.866 119.645 120.400 0.184 0.000 2.057 411 K HA -0.166 4.155 4.320 0.002 0.000 0.207 411 K C 2.080 178.797 176.600 0.196 0.000 1.049 411 K CA 1.124 57.506 56.287 0.158 0.000 0.931 411 K CB -0.589 31.998 32.500 0.145 0.000 0.714 411 K HN -0.067 nan 8.250 nan 0.000 0.440 412 F N 1.173 121.218 119.950 0.159 0.000 2.102 412 F HA -0.203 4.325 4.527 0.002 0.000 0.298 412 F C 1.854 177.750 175.800 0.161 0.000 1.105 412 F CA 1.222 59.309 58.000 0.144 0.000 1.239 412 F CB -0.389 38.729 39.000 0.196 0.000 0.991 412 F HN -0.209 nan 8.300 nan 0.000 0.474 413 V N 0.586 120.665 119.914 0.275 0.000 2.332 413 V HA -0.329 3.792 4.120 0.002 0.000 0.248 413 V C 2.023 178.249 176.094 0.221 0.000 1.055 413 V CA 2.324 64.820 62.300 0.327 0.000 1.038 413 V CB -0.712 31.296 31.823 0.308 0.000 0.651 413 V HN 0.314 nan 8.190 nan 0.000 0.450 414 D N -0.570 119.899 120.400 0.115 0.000 2.219 414 D HA -0.103 4.538 4.640 0.002 0.000 0.205 414 D C 2.252 178.555 176.300 0.004 0.000 0.970 414 D CA 1.521 55.566 54.000 0.076 0.000 0.851 414 D CB -0.257 40.578 40.800 0.058 0.000 0.943 414 D HN 0.408 nan 8.370 nan 0.000 0.488 415 T N 0.443 114.943 114.554 -0.090 0.000 2.737 415 T HA -0.070 4.282 4.350 0.002 0.000 0.265 415 T C 2.283 176.842 174.700 -0.235 0.000 1.038 415 T CA 0.593 62.614 62.100 -0.133 0.000 1.144 415 T CB -0.243 68.539 68.868 -0.143 0.000 0.866 415 T HN -0.030 nan 8.240 nan 0.000 0.434 416 V N 1.739 121.343 119.914 -0.516 0.000 2.392 416 V HA -0.207 3.914 4.120 0.002 0.000 0.249 416 V C 2.772 178.544 176.094 -0.536 0.000 1.059 416 V CA 1.995 63.863 62.300 -0.721 0.000 1.051 416 V CB -1.193 29.782 31.823 -1.414 0.000 0.658 416 V HN 0.534 nan 8.190 nan 0.000 0.455 417 T N -1.053 113.372 114.554 -0.215 0.000 2.746 417 T HA -0.265 4.086 4.350 0.002 0.000 0.267 417 T C 1.843 176.495 174.700 -0.079 0.000 1.039 417 T CA 2.134 64.221 62.100 -0.021 0.000 1.142 417 T CB -0.369 68.583 68.868 0.141 0.000 0.866 417 T HN 0.773 nan 8.240 nan 0.000 0.444 418 H N 0.882 119.876 119.070 -0.127 0.000 2.321 418 H HA 0.024 4.582 4.556 0.003 0.000 0.300 418 H C 2.040 177.252 175.328 -0.194 0.000 1.087 418 H CA 1.581 57.565 56.048 -0.106 0.000 1.319 418 H CB -0.481 29.245 29.762 -0.060 0.000 1.379 418 H HN 0.332 nan 8.280 nan 0.000 0.501 419 I N 0.352 120.707 120.570 -0.359 0.000 2.226 419 I HA -0.252 3.919 4.170 0.002 0.000 0.245 419 I C 2.772 178.492 176.117 -0.661 0.000 1.100 419 I CA 1.041 61.916 61.300 -0.708 0.000 1.374 419 I CB -0.528 37.081 38.000 -0.652 0.000 1.057 419 I HN 0.484 nan 8.210 nan 0.000 0.413 420 A N 0.970 123.553 122.820 -0.395 0.000 1.902 420 A HA -0.217 4.104 4.320 0.002 0.000 0.217 420 A C 2.070 179.566 177.584 -0.148 0.000 1.181 420 A CA 1.951 53.858 52.037 -0.217 0.000 0.623 420 A CB -0.674 18.152 19.000 -0.289 0.000 0.818 420 A HN 0.403 nan 8.150 nan 0.000 0.443 421 N N -0.350 118.240 118.700 -0.184 0.000 2.120 421 N HA -0.160 4.582 4.740 0.002 0.000 0.188 421 N C 1.725 177.172 175.510 -0.105 0.000 1.024 421 N CA 1.588 54.568 53.050 -0.118 0.000 0.852 421 N CB -0.379 38.044 38.487 -0.107 0.000 1.003 421 N HN 0.777 nan 8.380 nan 0.000 0.424 422 E N -0.263 119.811 120.200 -0.211 0.000 2.072 422 E HA -0.126 4.225 4.350 0.002 0.000 0.191 422 E C 1.788 178.428 176.600 0.067 0.000 0.985 422 E CA 0.442 56.795 56.400 -0.078 0.000 0.801 422 E CB -0.166 29.461 29.700 -0.122 0.000 0.750 422 E HN 0.259 nan 8.360 nan 0.000 0.452 423 F N 1.541 121.344 119.950 -0.245 0.000 2.091 423 F HA -0.233 4.295 4.527 0.002 0.000 0.299 423 F C 2.312 178.143 175.800 0.050 0.000 1.103 423 F CA 1.868 59.817 58.000 -0.085 0.000 1.228 423 F CB 0.013 38.811 39.000 -0.337 0.000 0.984 423 F HN -0.097 nan 8.300 nan 0.000 0.477 424 R N -0.289 120.320 120.500 0.182 0.000 2.092 424 R HA -0.160 4.182 4.340 0.002 0.000 0.231 424 R C 1.923 178.239 176.300 0.027 0.000 1.119 424 R CA 1.560 57.730 56.100 0.117 0.000 0.970 424 R CB -0.669 29.691 30.300 0.099 0.000 0.864 424 R HN 0.333 nan 8.270 nan 0.000 0.440 425 D N 0.656 121.056 120.400 -0.001 0.000 2.117 425 D HA -0.118 4.523 4.640 0.002 0.000 0.197 425 D C 1.714 177.940 176.300 -0.123 0.000 0.987 425 D CA 1.051 55.013 54.000 -0.063 0.000 0.829 425 D CB 0.064 40.844 40.800 -0.034 0.000 0.961 425 D HN 0.114 nan 8.370 nan 0.000 0.460 426 I N -0.633 119.934 120.570 -0.004 0.000 2.179 426 I HA -0.252 3.919 4.170 0.002 0.000 0.242 426 I C 2.214 178.241 176.117 -0.151 0.000 1.088 426 I CA 1.263 62.575 61.300 0.021 0.000 1.357 426 I CB -0.357 37.744 38.000 0.168 0.000 1.051 426 I HN 0.177 nan 8.210 nan 0.000 0.409 427 H N 1.061 120.008 119.070 -0.205 0.000 2.321 427 H HA -0.194 4.363 4.556 0.002 0.000 0.300 427 H C 1.820 177.037 175.328 -0.184 0.000 1.087 427 H CA 2.147 58.078 56.048 -0.194 0.000 1.319 427 H CB 0.059 29.720 29.762 -0.169 0.000 1.379 427 H HN 0.253 nan 8.280 nan 0.000 0.501 428 D N -0.112 120.248 120.400 -0.065 0.000 2.117 428 D HA -0.107 4.535 4.640 0.002 0.000 0.197 428 D C 2.294 178.430 176.300 -0.274 0.000 0.987 428 D CA 1.010 54.939 54.000 -0.118 0.000 0.829 428 D CB -0.217 40.526 40.800 -0.095 0.000 0.961 428 D HN 0.388 nan 8.370 nan 0.000 0.460 429 R N -0.037 120.207 120.500 -0.427 0.000 2.092 429 R HA -0.052 4.289 4.340 0.002 0.000 0.231 429 R C 2.186 178.135 176.300 -0.585 0.000 1.119 429 R CA 1.672 57.403 56.100 -0.615 0.000 0.970 429 R CB -0.264 29.345 30.300 -1.153 0.000 0.864 429 R HN 0.300 nan 8.270 nan 0.000 0.440 430 T N -3.776 110.417 114.554 -0.601 0.000 3.044 430 T HA 0.180 4.531 4.350 0.002 0.000 0.250 430 T C 1.368 175.819 174.700 -0.416 0.000 1.081 430 T CA 0.411 62.126 62.100 -0.642 0.000 1.040 430 T CB 0.786 69.169 68.868 -0.807 0.000 0.962 430 T HN 0.360 nan 8.240 nan 0.000 0.506 431 G N 1.239 109.797 108.800 -0.403 0.000 2.168 431 G HA2 0.060 4.022 3.960 0.002 0.000 0.257 431 G HA3 0.060 4.022 3.960 0.002 0.000 0.257 431 G C 1.092 175.754 174.900 -0.397 0.000 0.997 431 G CA 0.399 45.305 45.100 -0.323 0.000 0.708 431 G HN 1.796 nan 8.290 nan 0.000 0.520 432 G N -2.792 105.616 108.800 -0.653 0.000 2.153 432 G HA2 0.001 3.962 3.960 0.002 0.000 0.252 432 G HA3 0.001 3.962 3.960 0.002 0.000 0.252 432 G C 0.356 175.188 174.900 -0.113 0.000 0.994 432 G CA 0.633 45.465 45.100 -0.446 0.000 0.698 432 G HN 1.630 nan 8.290 nan 0.000 0.521 433 V N 0.650 120.513 119.914 -0.084 0.000 2.539 433 V HA 0.763 4.884 4.120 0.002 0.000 0.292 433 V C 1.020 177.214 176.094 0.167 0.000 1.045 433 V CA -0.330 61.996 62.300 0.044 0.000 0.945 433 V CB 1.596 33.450 31.823 0.051 0.000 0.993 433 V HN 1.062 nan 8.190 nan 0.000 0.464 434 A N 3.631 126.545 122.820 0.157 0.000 2.407 434 A HA 0.679 5.001 4.320 0.002 0.000 0.248 434 A C 0.703 178.379 177.584 0.153 0.000 1.082 434 A CA 0.258 52.396 52.037 0.168 0.000 0.785 434 A CB 0.181 19.238 19.000 0.096 0.000 1.020 434 A HN 1.388 nan 8.150 nan 0.000 0.489 435 A N 1.235 124.065 122.820 0.017 0.000 2.448 435 A HA 0.358 4.680 4.320 0.002 0.000 0.239 435 A C 0.629 178.045 177.584 -0.279 0.000 1.080 435 A CA 0.139 51.884 52.037 -0.487 0.000 0.779 435 A CB -0.098 18.519 19.000 -0.639 0.000 1.026 435 A HN 0.940 nan 8.150 nan 0.000 0.499 436 E N 0.699 120.679 120.200 -0.368 0.000 2.465 436 E HA 0.258 4.609 4.350 0.002 0.000 0.260 436 E C 0.470 177.003 176.600 -0.112 0.000 0.980 436 E CA 0.259 56.533 56.400 -0.211 0.000 0.927 436 E CB 0.309 29.854 29.700 -0.259 0.000 0.934 436 E HN 0.705 nan 8.360 nan 0.000 0.459 437 G N 3.688 112.462 108.800 -0.044 0.000 2.348 437 G HA2 0.094 4.055 3.960 0.002 0.000 0.312 437 G HA3 0.094 4.055 3.960 0.002 0.000 0.312 437 G C 0.237 175.155 174.900 0.030 0.000 1.126 437 G CA -0.503 44.596 45.100 -0.001 0.000 0.865 437 G HN 0.650 nan 8.290 nan 0.000 0.474 438 E N 1.124 121.368 120.200 0.073 0.000 2.447 438 E HA 0.154 4.505 4.350 0.002 0.000 0.195 438 E C 0.587 177.198 176.600 0.017 0.000 1.028 438 E CA 0.355 56.833 56.400 0.129 0.000 0.876 438 E CB 0.524 30.421 29.700 0.327 0.000 0.885 438 E HN 0.373 nan 8.360 nan 0.000 0.500 439 L N 0.609 121.787 121.223 -0.076 0.000 2.469 439 L HA 0.371 4.712 4.340 0.002 0.000 0.256 439 L C -0.727 176.097 176.870 -0.078 0.000 1.006 439 L CA -0.986 53.769 54.840 -0.142 0.000 0.832 439 L CB 1.956 43.814 42.059 -0.334 0.000 1.421 439 L HN -0.249 nan 8.230 nan 0.000 0.410 440 N N 1.151 119.817 118.700 -0.055 0.000 2.444 440 N HA 0.503 5.245 4.740 0.002 0.000 0.262 440 N C -1.144 174.335 175.510 -0.053 0.000 0.974 440 N CA -0.254 52.772 53.050 -0.040 0.000 0.933 440 N CB 2.380 40.859 38.487 -0.013 0.000 1.137 440 N HN 0.142 nan 8.380 nan 0.000 0.498 441 V N 0.965 120.823 119.914 -0.093 0.000 2.495 441 V HA 0.761 4.882 4.120 0.002 0.000 0.298 441 V C -0.179 175.786 176.094 -0.215 0.000 1.031 441 V CA -0.946 61.278 62.300 -0.128 0.000 0.871 441 V CB 1.619 33.358 31.823 -0.140 0.000 0.988 441 V HN 0.725 nan 8.190 nan 0.000 0.432 442 A N 5.875 128.559 122.820 -0.227 0.000 2.318 442 A HA 0.781 5.102 4.320 0.002 0.000 0.317 442 A C -0.612 176.749 177.584 -0.371 0.000 1.159 442 A CA -0.554 51.290 52.037 -0.322 0.000 0.799 442 A CB 0.644 19.489 19.000 -0.258 0.000 1.194 442 A HN 0.660 nan 8.150 nan 0.000 0.479 443 I N 3.253 123.487 120.570 -0.561 0.000 2.352 443 I HA 0.160 4.331 4.170 0.002 0.000 0.290 443 I C -0.440 175.474 176.117 -0.337 0.000 1.036 443 I CA -0.192 60.826 61.300 -0.470 0.000 1.336 443 I CB 1.032 38.633 38.000 -0.666 0.000 1.407 443 I HN 0.579 nan 8.210 nan 0.000 0.497 444 L N 9.141 130.211 121.223 -0.254 0.000 2.287 444 L HA 0.460 4.802 4.340 0.002 0.000 0.287 444 L C -0.509 176.138 176.870 -0.370 0.000 1.022 444 L CA 0.145 54.787 54.840 -0.330 0.000 0.814 444 L CB 0.692 42.602 42.059 -0.249 0.000 1.217 444 L HN 0.799 nan 8.230 nan 0.000 0.420 445 N N 0.992 119.363 118.700 -0.549 0.000 3.277 445 N HA 0.327 5.069 4.740 0.002 0.000 0.278 445 N C -0.066 175.111 175.510 -0.555 0.000 1.544 445 N CA -0.304 52.497 53.050 -0.416 0.000 0.869 445 N CB 0.607 39.072 38.487 -0.037 0.000 1.584 445 N HN 0.162 nan 8.380 nan 0.000 0.564 446 S N -1.331 114.223 115.700 -0.244 0.000 2.423 446 S HA -0.007 4.464 4.470 0.002 0.000 0.231 446 S C 0.645 174.995 174.600 -0.418 0.000 1.014 446 S CA 0.903 58.935 58.200 -0.280 0.000 0.965 446 S CB -0.499 62.412 63.200 -0.482 0.000 0.785 446 S HN 0.580 nan 8.310 nan 0.000 0.495 447 W N 1.340 122.515 121.300 -0.207 0.000 2.525 447 W HA 0.340 5.002 4.660 0.002 0.000 0.288 447 W C 1.819 178.233 176.519 -0.175 0.000 1.200 447 W CA 0.529 57.760 57.345 -0.189 0.000 1.349 447 W CB -0.714 28.612 29.460 -0.223 0.000 1.102 447 W HN 0.456 nan 8.180 nan 0.000 0.558 448 G N 0.968 109.792 108.800 0.041 0.000 2.547 448 G HA2 -0.474 3.487 3.960 0.002 0.000 0.271 448 G HA3 -0.474 3.487 3.960 0.002 0.000 0.271 448 G C 0.887 175.776 174.900 -0.019 0.000 1.209 448 G CA 0.760 45.848 45.100 -0.021 0.000 0.959 448 G HN 0.221 nan 8.290 nan 0.000 0.563 449 K N 0.562 120.950 120.400 -0.020 0.000 2.152 449 K HA -0.072 4.250 4.320 0.002 0.000 0.206 449 K C 2.795 179.324 176.600 -0.119 0.000 1.048 449 K CA 2.356 58.611 56.287 -0.054 0.000 0.933 449 K CB -0.329 32.183 32.500 0.019 0.000 0.721 449 K HN 0.668 nan 8.250 nan 0.000 0.447 450 M N -0.962 118.618 119.600 -0.033 0.000 2.460 450 M HA -0.018 4.463 4.480 0.002 0.000 0.263 450 M C 0.555 176.765 176.300 -0.150 0.000 1.071 450 M CA 1.266 56.562 55.300 -0.007 0.000 1.096 450 M CB 0.206 32.831 32.600 0.041 0.000 1.408 450 M HN -0.122 nan 8.290 nan 0.000 0.463 451 R N 1.648 121.972 120.500 -0.295 0.000 2.865 451 R HA 0.382 4.724 4.340 0.002 0.000 0.370 451 R C -0.571 175.275 176.300 -0.756 0.000 1.168 451 R CA -0.105 55.705 56.100 -0.483 0.000 1.058 451 R CB 0.164 30.098 30.300 -0.610 0.000 1.419 451 R HN 0.286 nan 8.270 nan 0.000 0.580 452 S N 0.593 115.657 115.700 -1.061 0.000 2.596 452 S HA -0.084 4.388 4.470 0.002 0.000 0.298 452 S C 0.181 173.981 174.600 -1.334 0.000 1.255 452 S CA 0.122 57.262 58.200 -1.767 0.000 1.083 452 S CB -0.026 62.193 63.200 -1.634 0.000 0.837 452 S HN 0.614 nan 8.310 nan 0.000 0.499 453 W N 0.720 121.035 121.300 -1.641 0.000 2.869 453 W HA -0.289 4.373 4.660 0.002 0.000 0.285 453 W C 0.847 177.174 176.519 -0.320 0.000 1.098 453 W CA 0.193 57.167 57.345 -0.618 0.000 0.571 453 W CB -1.999 27.280 29.460 -0.303 0.000 2.131 453 W HN 0.622 nan 8.180 nan 0.000 1.367 454 M N -0.621 118.806 119.600 -0.289 0.000 2.313 454 M HA 0.329 4.810 4.480 0.002 0.000 0.273 454 M C 1.417 177.588 176.300 -0.214 0.000 1.049 454 M CA 0.417 55.703 55.300 -0.023 0.000 1.004 454 M CB 0.292 32.865 32.600 -0.044 0.000 1.461 454 M HN 0.091 nan 8.290 nan 0.000 0.514 455 A N 0.137 122.687 122.820 -0.451 0.000 2.483 455 A HA 0.348 4.669 4.320 0.002 0.000 0.238 455 A C 0.101 177.105 177.584 -0.967 0.000 1.070 455 A CA 0.149 51.566 52.037 -1.034 0.000 0.770 455 A CB -0.335 17.846 19.000 -1.366 0.000 1.008 455 A HN 0.599 nan 8.150 nan 0.000 0.497 456 F N -0.977 118.210 119.950 -1.272 0.000 2.748 456 F HA -0.199 4.330 4.527 0.002 0.000 0.370 456 F C 0.948 176.964 175.800 0.361 0.000 0.620 456 F CA 1.066 58.753 58.000 -0.522 0.000 1.233 456 F CB -2.557 36.366 39.000 -0.128 0.000 1.708 456 F HN 0.520 nan 8.300 nan 0.000 0.298 457 T N 0.839 115.676 114.554 0.471 0.000 2.869 457 T HA 0.559 4.910 4.350 0.002 0.000 0.295 457 T C 1.117 176.239 174.700 0.703 0.000 0.987 457 T CA 0.061 62.476 62.100 0.526 0.000 1.109 457 T CB 2.321 71.496 68.868 0.512 0.000 0.932 457 T HN 0.000 nan 8.240 nan 0.000 0.518 458 V N 1.866 122.033 119.914 0.423 0.000 3.204 458 V HA 0.471 4.593 4.120 0.002 0.000 0.218 458 V C 1.019 177.201 176.094 0.146 0.000 1.159 458 V CA 0.067 62.565 62.300 0.330 0.000 1.282 458 V CB -0.419 31.509 31.823 0.175 0.000 1.225 458 V HN 0.915 nan 8.190 nan 0.000 0.509 459 A N -0.086 122.745 122.820 0.018 0.000 2.309 459 A HA 0.384 4.706 4.320 0.002 0.000 0.298 459 A C 0.073 177.509 177.584 -0.248 0.000 1.165 459 A CA -0.218 51.761 52.037 -0.096 0.000 0.821 459 A CB -0.228 18.725 19.000 -0.080 0.000 1.102 459 A HN 0.576 nan 8.150 nan 0.000 0.500 460 H N 2.169 120.880 119.070 -0.597 0.000 3.192 460 H HA 0.088 4.646 4.556 0.002 0.000 0.295 460 H C 1.256 176.264 175.328 -0.533 0.000 0.943 460 H CA 1.585 57.102 56.048 -0.885 0.000 1.416 460 H CB 0.231 29.065 29.762 -1.547 0.000 1.434 460 H HN 1.412 nan 8.280 nan 0.000 0.565 461 A N 4.609 126.930 122.820 -0.832 0.000 2.816 461 A HA -0.208 4.113 4.320 0.002 0.000 0.270 461 A C 0.370 177.752 177.584 -0.336 0.000 1.413 461 A CA 1.158 52.885 52.037 -0.516 0.000 0.866 461 A CB -1.907 16.858 19.000 -0.393 0.000 1.032 461 A HN 0.661 nan 8.150 nan 0.000 0.642 462 L N 0.607 121.625 121.223 -0.343 0.000 2.679 462 L HA 0.306 4.647 4.340 0.002 0.000 0.238 462 L C -2.001 174.724 176.870 -0.241 0.000 1.330 462 L CA -1.629 53.073 54.840 -0.230 0.000 0.935 462 L CB 1.033 42.998 42.059 -0.156 0.000 1.243 462 L HN 0.243 nan 8.230 nan 0.000 0.484 463 P HA 0.190 nan 4.420 nan 0.000 0.272 463 P C -1.071 176.180 177.300 -0.082 0.000 1.223 463 P CA -0.129 62.820 63.100 -0.251 0.000 0.784 463 P CB 1.221 32.727 31.700 -0.324 0.000 0.923 464 N N -0.067 118.638 118.700 0.008 0.000 3.167 464 N HA 0.205 4.946 4.740 0.002 0.000 0.323 464 N C 0.821 176.390 175.510 0.098 0.000 1.478 464 N CA -0.979 52.069 53.050 -0.003 0.000 0.753 464 N CB 0.532 39.005 38.487 -0.024 0.000 1.721 464 N HN 0.260 nan 8.380 nan 0.000 0.618 465 K N -0.825 119.602 120.400 0.044 0.000 2.113 465 K HA -0.217 4.104 4.320 0.002 0.000 0.208 465 K C 0.953 177.717 176.600 0.273 0.000 1.047 465 K CA 1.851 58.226 56.287 0.146 0.000 0.928 465 K CB -0.085 32.451 32.500 0.060 0.000 0.716 465 K HN 0.507 nan 8.250 nan 0.000 0.446 466 Q N -0.561 119.325 119.800 0.144 0.000 2.378 466 Q HA -0.039 4.303 4.340 0.002 0.000 0.205 466 Q C 1.655 177.758 176.000 0.172 0.000 0.954 466 Q CA 1.622 57.486 55.803 0.103 0.000 0.901 466 Q CB 0.485 29.204 28.738 -0.031 0.000 0.981 466 Q HN 0.625 nan 8.270 nan 0.000 0.483 467 T N -3.963 110.736 114.554 0.241 0.000 2.958 467 T HA 0.005 4.357 4.350 0.002 0.000 0.256 467 T C 1.605 176.487 174.700 0.302 0.000 0.983 467 T CA 0.021 62.359 62.100 0.397 0.000 0.924 467 T CB -0.482 68.649 68.868 0.438 0.000 1.136 467 T HN 0.372 nan 8.240 nan 0.000 0.506 468 Y N 1.992 122.348 120.300 0.092 0.000 2.352 468 Y HA 0.197 4.749 4.550 0.002 0.000 0.292 468 Y C 2.164 178.062 175.900 -0.004 0.000 1.136 468 Y CA 0.733 58.882 58.100 0.081 0.000 1.227 468 Y CB -0.677 37.811 38.460 0.047 0.000 0.991 468 Y HN 0.151 nan 8.280 nan 0.000 0.545 469 S N -0.133 115.028 115.700 -0.900 0.000 2.474 469 S HA -0.098 4.374 4.470 0.002 0.000 0.235 469 S C 0.880 174.980 174.600 -0.832 0.000 0.997 469 S CA 1.341 58.967 58.200 -0.957 0.000 0.949 469 S CB -0.411 62.164 63.200 -1.042 0.000 0.766 469 S HN 0.623 nan 8.310 nan 0.000 0.517 470 Y N -1.754 118.324 120.300 -0.370 0.000 2.539 470 Y HA 0.267 4.819 4.550 0.003 0.000 0.284 470 Y C 1.945 177.475 175.900 -0.617 0.000 1.134 470 Y CA -0.728 56.917 58.100 -0.758 0.000 1.251 470 Y CB -0.943 36.636 38.460 -1.468 0.000 1.260 470 Y HN 0.174 nan 8.280 nan 0.000 0.528 471 Y N 1.169 121.352 120.300 -0.194 0.000 2.193 471 Y HA -0.196 4.356 4.550 0.002 0.000 0.285 471 Y C 2.442 178.388 175.900 0.077 0.000 1.166 471 Y CA 1.613 59.766 58.100 0.089 0.000 1.181 471 Y CB -0.708 37.849 38.460 0.161 0.000 0.976 471 Y HN 0.130 nan 8.280 nan 0.000 0.520 472 G N 0.150 109.013 108.800 0.106 0.000 2.485 472 G HA2 -0.274 3.688 3.960 0.002 0.000 0.221 472 G HA3 -0.274 3.688 3.960 0.002 0.000 0.221 472 G C 1.700 176.625 174.900 0.041 0.000 1.115 472 G CA 1.298 46.454 45.100 0.092 0.000 0.751 472 G HN 0.522 nan 8.290 nan 0.000 0.567 473 I N 0.351 120.915 120.570 -0.011 0.000 2.127 473 I HA -0.183 3.989 4.170 0.002 0.000 0.241 473 I C 2.708 178.861 176.117 0.059 0.000 1.075 473 I CA 0.906 62.220 61.300 0.023 0.000 1.334 473 I CB -0.284 37.735 38.000 0.032 0.000 1.040 473 I HN 0.126 nan 8.210 nan 0.000 0.405 474 L N 0.074 121.331 121.223 0.057 0.000 2.056 474 L HA -0.199 4.142 4.340 0.002 0.000 0.207 474 L C 2.626 179.515 176.870 0.033 0.000 1.078 474 L CA 1.358 56.283 54.840 0.141 0.000 0.749 474 L CB -0.744 41.395 42.059 0.133 0.000 0.901 474 L HN 0.248 nan 8.230 nan 0.000 0.433 475 E N 0.565 120.620 120.200 -0.242 0.000 2.077 475 E HA -0.166 4.185 4.350 0.002 0.000 0.193 475 E C 2.242 178.676 176.600 -0.277 0.000 0.989 475 E CA 1.678 57.848 56.400 -0.385 0.000 0.800 475 E CB -0.032 29.357 29.700 -0.519 0.000 0.746 475 E HN 0.253 nan 8.360 nan 0.000 0.452 476 S N 0.008 115.726 115.700 0.030 0.000 2.353 476 S HA -0.138 4.333 4.470 0.002 0.000 0.222 476 S C 1.930 176.599 174.600 0.114 0.000 1.035 476 S CA 1.333 59.655 58.200 0.203 0.000 1.025 476 S CB -0.384 62.946 63.200 0.218 0.000 0.902 476 S HN 0.273 nan 8.310 nan 0.000 0.440 477 L N 1.917 123.220 121.223 0.134 0.000 2.201 477 L HA -0.103 4.239 4.340 0.002 0.000 0.212 477 L C 2.714 179.710 176.870 0.211 0.000 1.105 477 L CA 1.189 56.149 54.840 0.199 0.000 0.775 477 L CB -0.793 41.414 42.059 0.248 0.000 0.913 477 L HN 0.441 nan 8.230 nan 0.000 0.440 478 S N -0.288 115.448 115.700 0.060 0.000 2.402 478 S HA -0.153 4.318 4.470 0.002 0.000 0.233 478 S C 1.700 176.162 174.600 -0.230 0.000 1.030 478 S CA 1.320 59.322 58.200 -0.331 0.000 1.003 478 S CB -0.620 62.286 63.200 -0.490 0.000 0.813 478 S HN 0.448 nan 8.310 nan 0.000 0.477 479 G N -0.080 108.650 108.800 -0.116 0.000 3.519 479 G HA2 0.432 4.393 3.960 0.002 0.000 0.269 479 G HA3 0.432 4.393 3.960 0.002 0.000 0.269 479 G C 0.026 174.920 174.900 -0.011 0.000 1.028 479 G CA -0.531 44.521 45.100 -0.080 0.000 0.809 479 G HN 0.459 nan 8.290 nan 0.000 0.521 480 M N 1.620 121.242 119.600 0.036 0.000 2.242 480 M HA 0.263 4.744 4.480 0.002 0.000 0.344 480 M C 1.358 177.695 176.300 0.061 0.000 1.140 480 M CA -0.661 54.680 55.300 0.069 0.000 1.160 480 M CB 0.806 33.468 32.600 0.104 0.000 1.491 480 M HN 0.217 nan 8.290 nan 0.000 0.459 481 R N 3.042 123.584 120.500 0.071 0.000 4.739 481 R HA 0.219 4.560 4.340 0.002 0.000 0.203 481 R C -0.938 175.409 176.300 0.080 0.000 2.125 481 R CA -0.261 55.875 56.100 0.060 0.000 1.743 481 R CB -1.384 28.956 30.300 0.066 0.000 1.271 481 R HN 0.443 nan 8.270 nan 0.000 0.746 482 V N -2.533 117.418 119.914 0.061 0.000 3.078 482 V HA 0.465 4.586 4.120 0.002 0.000 0.311 482 V C -0.962 175.153 176.094 0.035 0.000 1.138 482 V CA -1.493 60.824 62.300 0.029 0.000 1.007 482 V CB 2.188 34.007 31.823 -0.006 0.000 1.045 482 V HN 0.174 nan 8.190 nan 0.000 0.432 483 N N 1.384 120.093 118.700 0.014 0.000 2.444 483 N HA 0.534 5.276 4.740 0.002 0.000 0.271 483 N C -0.718 174.790 175.510 -0.005 0.000 1.069 483 N CA -0.113 52.954 53.050 0.028 0.000 0.965 483 N CB 1.753 40.250 38.487 0.016 0.000 1.092 483 N HN 0.658 nan 8.380 nan 0.000 0.476 484 V N 3.094 123.024 119.914 0.027 0.000 2.459 484 V HA 0.511 4.632 4.120 0.002 0.000 0.295 484 V C 0.390 176.358 176.094 -0.210 0.000 1.029 484 V CA -0.814 61.403 62.300 -0.138 0.000 0.874 484 V CB 1.528 33.286 31.823 -0.108 0.000 0.985 484 V HN 0.693 nan 8.190 nan 0.000 0.438 485 R N 3.189 123.453 120.500 -0.393 0.000 2.912 485 R HA 0.774 5.115 4.340 0.002 0.000 0.262 485 R C -1.912 173.997 176.300 -0.652 0.000 1.057 485 R CA -0.735 55.182 56.100 -0.305 0.000 0.981 485 R CB 1.911 32.124 30.300 -0.145 0.000 1.201 485 R HN 0.383 nan 8.270 nan 0.000 0.484 486 F N 1.823 121.592 119.950 -0.302 0.000 2.477 486 F HA 0.517 5.045 4.527 0.002 0.000 0.335 486 F C 0.074 175.726 175.800 -0.246 0.000 1.130 486 F CA -0.877 56.927 58.000 -0.326 0.000 0.948 486 F CB 1.986 40.739 39.000 -0.412 0.000 1.154 486 F HN 0.465 nan 8.300 nan 0.000 0.439 487 I N -0.172 120.312 120.570 -0.143 0.000 2.892 487 I HA 0.844 5.016 4.170 0.002 0.000 0.306 487 I C -0.548 175.422 176.117 -0.246 0.000 1.078 487 I CA -0.826 60.373 61.300 -0.168 0.000 1.032 487 I CB 2.317 40.198 38.000 -0.198 0.000 1.229 487 I HN 0.502 nan 8.210 nan 0.000 0.435 488 S N 2.532 118.091 115.700 -0.235 0.000 2.681 488 S HA 0.524 4.995 4.470 0.002 0.000 0.299 488 S C 0.458 174.827 174.600 -0.383 0.000 1.113 488 S CA -0.585 57.416 58.200 -0.332 0.000 1.013 488 S CB 1.310 64.409 63.200 -0.170 0.000 1.076 488 S HN 0.594 nan 8.310 nan 0.000 0.534 489 F N 1.174 121.003 119.950 -0.203 0.000 2.171 489 F HA -0.050 4.479 4.527 0.002 0.000 0.300 489 F C 2.214 177.884 175.800 -0.217 0.000 1.090 489 F CA 1.358 59.201 58.000 -0.261 0.000 1.293 489 F CB -0.750 38.037 39.000 -0.356 0.000 1.013 489 F HN 0.549 nan 8.300 nan 0.000 0.486 490 D N 0.321 120.707 120.400 -0.023 0.000 2.133 490 D HA -0.183 4.459 4.640 0.002 0.000 0.195 490 D C 1.760 178.024 176.300 -0.059 0.000 0.997 490 D CA 1.605 55.571 54.000 -0.058 0.000 0.840 490 D CB -0.464 40.304 40.800 -0.054 0.000 0.947 490 D HN 0.283 nan 8.370 nan 0.000 0.452 491 D N 0.390 120.763 120.400 -0.044 0.000 2.104 491 D HA -0.105 4.536 4.640 0.002 0.000 0.194 491 D C 2.358 178.653 176.300 -0.009 0.000 0.994 491 D CA 0.514 54.526 54.000 0.020 0.000 0.830 491 D CB -0.325 40.461 40.800 -0.023 0.000 0.959 491 D HN 0.092 nan 8.370 nan 0.000 0.452 492 V N 1.007 120.875 119.914 -0.077 0.000 2.358 492 V HA -0.174 3.947 4.120 0.002 0.000 0.246 492 V C 2.645 178.682 176.094 -0.094 0.000 1.047 492 V CA 0.986 63.231 62.300 -0.093 0.000 1.035 492 V CB -0.387 31.365 31.823 -0.118 0.000 0.658 492 V HN 0.170 nan 8.190 nan 0.000 0.452 493 L N -0.064 121.097 121.223 -0.104 0.000 2.093 493 L HA -0.130 4.211 4.340 0.002 0.000 0.208 493 L C 2.643 179.413 176.870 -0.167 0.000 1.085 493 L CA 1.505 56.270 54.840 -0.125 0.000 0.755 493 L CB -0.650 41.332 42.059 -0.127 0.000 0.904 493 L HN 0.364 nan 8.230 nan 0.000 0.435 494 A N -1.125 121.551 122.820 -0.241 0.000 1.898 494 A HA -0.128 4.193 4.320 0.002 0.000 0.214 494 A C 1.727 178.955 177.584 -0.593 0.000 1.183 494 A CA 1.143 52.889 52.037 -0.485 0.000 0.622 494 A CB -0.306 18.269 19.000 -0.709 0.000 0.824 494 A HN 0.501 nan 8.150 nan 0.000 0.444 495 H N -1.672 117.368 119.070 -0.052 0.000 3.078 495 H HA 0.358 4.915 4.556 0.002 0.000 0.263 495 H C 1.187 176.484 175.328 -0.052 0.000 1.177 495 H CA 0.251 56.271 56.048 -0.046 0.000 1.128 495 H CB -0.031 29.704 29.762 -0.044 0.000 1.623 495 H HN 0.668 nan 8.280 nan 0.000 0.592 496 G N 1.830 110.632 108.800 0.003 0.000 2.750 496 G HA2 -0.278 3.683 3.960 0.002 0.000 0.228 496 G HA3 -0.278 3.683 3.960 0.002 0.000 0.228 496 G C -0.328 174.522 174.900 -0.083 0.000 1.367 496 G CA -0.358 44.724 45.100 -0.031 0.000 0.871 496 G HN 0.223 nan 8.290 nan 0.000 0.560 497 I N 1.277 121.748 120.570 -0.166 0.000 2.325 497 I HA 0.188 4.360 4.170 0.002 0.000 0.291 497 I C 0.100 176.104 176.117 -0.188 0.000 1.019 497 I CA -0.583 60.520 61.300 -0.327 0.000 1.302 497 I CB 1.036 38.556 38.000 -0.800 0.000 1.401 497 I HN 0.346 nan 8.210 nan 0.000 0.485 498 D N 3.911 124.226 120.400 -0.141 0.000 2.525 498 D HA -0.063 4.579 4.640 0.002 0.000 0.235 498 D C 1.344 177.648 176.300 0.008 0.000 1.137 498 D CA 0.299 54.266 54.000 -0.056 0.000 0.868 498 D CB 0.906 41.671 40.800 -0.059 0.000 1.180 498 D HN 0.624 nan 8.370 nan 0.000 0.465 499 S N 1.255 116.988 115.700 0.055 0.000 2.507 499 S HA -0.178 4.294 4.470 0.002 0.000 0.235 499 S C 1.085 175.758 174.600 0.122 0.000 0.988 499 S CA 0.656 58.928 58.200 0.120 0.000 0.944 499 S CB 0.015 63.269 63.200 0.091 0.000 0.762 499 S HN 0.554 nan 8.310 nan 0.000 0.526 500 D N 1.087 121.533 120.400 0.076 0.000 2.348 500 D HA 0.086 4.728 4.640 0.002 0.000 0.211 500 D C 0.505 176.856 176.300 0.085 0.000 0.998 500 D CA -0.239 53.801 54.000 0.067 0.000 0.873 500 D CB -0.552 40.268 40.800 0.034 0.000 0.925 500 D HN 0.453 nan 8.370 nan 0.000 0.524 501 I N 1.690 122.326 120.570 0.110 0.000 2.556 501 I HA -0.042 4.129 4.170 0.002 0.000 0.284 501 I C 1.023 177.314 176.117 0.290 0.000 1.114 501 I CA -0.054 61.322 61.300 0.127 0.000 1.418 501 I CB 0.892 38.904 38.000 0.020 0.000 1.394 501 I HN -0.207 nan 8.210 nan 0.000 0.552 502 D N 4.711 125.222 120.400 0.185 0.000 2.262 502 D HA 0.102 4.744 4.640 0.002 0.000 0.212 502 D C 0.033 176.480 176.300 0.246 0.000 0.964 502 D CA 1.200 55.296 54.000 0.161 0.000 0.875 502 D CB 0.710 41.521 40.800 0.018 0.000 0.996 502 D HN 0.194 nan 8.370 nan 0.000 0.497 503 V N 1.555 121.607 119.914 0.230 0.000 2.733 503 V HA 0.365 4.486 4.120 0.002 0.000 0.306 503 V C -0.394 175.793 176.094 0.155 0.000 1.084 503 V CA -0.736 61.697 62.300 0.221 0.000 0.905 503 V CB 2.909 34.756 31.823 0.040 0.000 1.010 503 V HN -0.095 nan 8.190 nan 0.000 0.424 504 I N 4.878 125.573 120.570 0.208 0.000 2.377 504 I HA 0.524 4.695 4.170 0.002 0.000 0.293 504 I C -0.693 175.322 176.117 -0.170 0.000 0.987 504 I CA -0.467 60.831 61.300 -0.003 0.000 1.185 504 I CB 1.789 39.825 38.000 0.059 0.000 1.341 504 I HN 0.443 nan 8.210 nan 0.000 0.455 505 I N 6.329 126.760 120.570 -0.232 0.000 2.404 505 I HA 0.315 4.487 4.170 0.002 0.000 0.293 505 I C -0.231 175.732 176.117 -0.257 0.000 0.992 505 I CA -0.469 60.648 61.300 -0.305 0.000 1.149 505 I CB 1.559 39.434 38.000 -0.207 0.000 1.315 505 I HN 0.572 nan 8.210 nan 0.000 0.446 506 N N 4.860 123.363 118.700 -0.329 0.000 2.448 506 N HA 0.570 5.312 4.740 0.002 0.000 0.279 506 N C -1.091 174.390 175.510 -0.048 0.000 1.025 506 N CA -0.210 52.802 53.050 -0.063 0.000 0.898 506 N CB 2.207 40.802 38.487 0.181 0.000 1.303 506 N HN 0.833 nan 8.380 nan 0.000 0.495 507 G N 0.844 109.690 108.800 0.077 0.000 2.620 507 G HA2 0.795 4.757 3.960 0.002 0.000 0.301 507 G HA3 0.795 4.757 3.960 0.002 0.000 0.301 507 G C -0.520 174.400 174.900 0.033 0.000 1.347 507 G CA -0.331 44.818 45.100 0.082 0.000 0.971 507 G HN 0.775 nan 8.290 nan 0.000 0.488 508 G N 0.624 109.216 108.800 -0.348 0.000 2.359 508 G HA2 0.417 4.378 3.960 0.002 0.000 0.303 508 G HA3 0.417 4.378 3.960 0.002 0.000 0.303 508 G C -3.517 171.191 174.900 -0.321 0.000 1.293 508 G CA -0.585 44.028 45.100 -0.811 0.000 0.964 508 G HN 0.679 nan 8.290 nan 0.000 0.531 509 P HA 0.479 nan 4.420 nan 0.000 0.278 509 P C 0.500 177.913 177.300 0.188 0.000 1.258 509 P CA -0.575 62.649 63.100 0.206 0.000 0.811 509 P CB 1.256 33.155 31.700 0.331 0.000 1.063 510 V N 1.521 121.569 119.914 0.222 0.000 2.901 510 V HA -0.036 4.086 4.120 0.002 0.000 0.307 510 V C 0.222 176.412 176.094 0.159 0.000 1.084 510 V CA 0.996 63.392 62.300 0.159 0.000 1.184 510 V CB -0.996 30.992 31.823 0.275 0.000 0.941 510 V HN 0.681 nan 8.190 nan 0.000 0.493 511 D N 2.276 122.733 120.400 0.096 0.000 2.800 511 D HA -0.127 4.515 4.640 0.002 0.000 0.232 511 D C 0.160 176.520 176.300 0.099 0.000 1.137 511 D CA 1.454 55.503 54.000 0.083 0.000 0.718 511 D CB -1.290 39.572 40.800 0.102 0.000 1.084 511 D HN 1.155 nan 8.370 nan 0.000 0.432 512 T N -5.321 109.290 114.554 0.096 0.000 2.916 512 T HA 0.772 5.124 4.350 0.002 0.000 0.292 512 T C 1.438 176.068 174.700 -0.117 0.000 1.064 512 T CA -0.288 61.856 62.100 0.073 0.000 1.011 512 T CB 2.032 71.054 68.868 0.258 0.000 1.152 512 T HN -0.051 nan 8.240 nan 0.000 0.510 513 A N 0.273 122.871 122.820 -0.369 0.000 2.024 513 A HA 0.082 4.403 4.320 0.002 0.000 0.220 513 A C 1.632 178.881 177.584 -0.558 0.000 1.164 513 A CA 1.312 52.984 52.037 -0.609 0.000 0.643 513 A CB -1.148 17.316 19.000 -0.894 0.000 0.806 513 A HN 0.754 nan 8.150 nan 0.000 0.451 514 F N 0.506 120.399 119.950 -0.094 0.000 2.293 514 F HA -0.041 4.488 4.527 0.003 0.000 0.297 514 F C 2.810 178.636 175.800 0.043 0.000 1.089 514 F CA 1.488 59.401 58.000 -0.146 0.000 1.377 514 F CB -1.115 37.667 39.000 -0.364 0.000 1.051 514 F HN 0.336 nan 8.300 nan 0.000 0.511 515 T N -3.468 111.210 114.554 0.207 0.000 2.852 515 T HA 0.418 4.769 4.350 0.002 0.000 0.256 515 T C 1.959 176.953 174.700 0.490 0.000 1.038 515 T CA 1.120 63.387 62.100 0.279 0.000 1.141 515 T CB -0.245 68.696 68.868 0.121 0.000 0.869 515 T HN 0.382 nan 8.240 nan 0.000 0.439 516 G N 0.247 109.193 108.800 0.242 0.000 2.421 516 G HA2 0.346 4.307 3.960 0.002 0.000 0.188 516 G HA3 0.346 4.307 3.960 0.002 0.000 0.188 516 G C 0.983 175.791 174.900 -0.153 0.000 1.001 516 G CA 0.380 45.503 45.100 0.038 0.000 0.693 516 G HN 1.512 nan 8.290 nan 0.000 0.479 517 G N 0.670 109.462 108.800 -0.014 0.000 2.528 517 G HA2 -0.241 3.721 3.960 0.002 0.000 0.262 517 G HA3 -0.241 3.721 3.960 0.002 0.000 0.262 517 G C 0.413 175.241 174.900 -0.121 0.000 1.200 517 G CA 0.841 45.901 45.100 -0.066 0.000 0.951 517 G HN 0.643 nan 8.290 nan 0.000 0.566 518 D N 0.108 120.402 120.400 -0.177 0.000 2.371 518 D HA 0.071 4.713 4.640 0.002 0.000 0.221 518 D C 2.376 178.475 176.300 -0.336 0.000 0.986 518 D CA 0.870 54.736 54.000 -0.222 0.000 0.899 518 D CB 0.056 40.746 40.800 -0.183 0.000 0.902 518 D HN 0.388 nan 8.370 nan 0.000 0.530 519 V N -0.517 119.118 119.914 -0.465 0.000 2.546 519 V HA -0.225 3.896 4.120 0.002 0.000 0.254 519 V C 1.366 177.019 176.094 -0.735 0.000 1.076 519 V CA 1.473 63.361 62.300 -0.688 0.000 1.087 519 V CB -0.424 30.755 31.823 -1.074 0.000 0.674 519 V HN 0.334 nan 8.190 nan 0.000 0.470 520 W N 0.073 121.084 121.300 -0.482 0.000 2.825 520 W HA -0.019 4.643 4.660 0.002 0.000 0.243 520 W C 2.382 178.654 176.519 -0.411 0.000 1.293 520 W CA 0.954 58.064 57.345 -0.391 0.000 1.403 520 W CB -0.352 28.917 29.460 -0.319 0.000 1.134 520 W HN 0.432 nan 8.180 nan 0.000 0.666 521 T N -2.819 111.498 114.554 -0.394 0.000 3.081 521 T HA 0.004 4.355 4.350 0.002 0.000 0.250 521 T C 0.717 175.148 174.700 -0.449 0.000 1.100 521 T CA -0.156 61.480 62.100 -0.772 0.000 1.038 521 T CB -0.326 67.805 68.868 -1.229 0.000 0.962 521 T HN -0.132 nan 8.240 nan 0.000 0.516 522 N N 3.349 121.854 118.700 -0.325 0.000 2.405 522 N HA 0.159 4.901 4.740 0.002 0.000 0.260 522 N C -1.419 174.002 175.510 -0.149 0.000 1.152 522 N CA -2.143 50.770 53.050 -0.229 0.000 0.948 522 N CB 1.713 40.038 38.487 -0.269 0.000 1.111 522 N HN 0.117 nan 8.380 nan 0.000 0.485 523 P HA -0.158 nan 4.420 nan 0.000 0.220 523 P C 1.034 178.317 177.300 -0.029 0.000 1.148 523 P CA 1.042 64.132 63.100 -0.017 0.000 0.803 523 P CB 0.478 32.191 31.700 0.021 0.000 0.782 524 K N -0.337 120.027 120.400 -0.060 0.000 2.097 524 K HA -0.147 4.175 4.320 0.002 0.000 0.206 524 K C 2.094 178.651 176.600 -0.071 0.000 1.049 524 K CA 0.860 57.112 56.287 -0.058 0.000 0.933 524 K CB -0.497 31.957 32.500 -0.075 0.000 0.717 524 K HN -0.007 nan 8.250 nan 0.000 0.442 525 L N 0.645 121.791 121.223 -0.129 0.000 2.044 525 L HA -0.109 4.232 4.340 0.002 0.000 0.205 525 L C 1.976 178.813 176.870 -0.055 0.000 1.075 525 L CA 1.359 56.096 54.840 -0.172 0.000 0.747 525 L CB -0.438 41.376 42.059 -0.408 0.000 0.903 525 L HN -0.048 nan 8.230 nan 0.000 0.435 526 V N 0.032 119.949 119.914 0.006 0.000 2.287 526 V HA -0.312 3.809 4.120 0.002 0.000 0.248 526 V C 2.533 178.673 176.094 0.078 0.000 1.053 526 V CA 2.109 64.473 62.300 0.107 0.000 1.027 526 V CB -0.663 31.228 31.823 0.114 0.000 0.646 526 V HN 0.510 nan 8.190 nan 0.000 0.447 527 E N -0.203 120.029 120.200 0.053 0.000 2.070 527 E HA -0.226 4.125 4.350 0.002 0.000 0.197 527 E C 2.280 178.926 176.600 0.077 0.000 1.004 527 E CA 2.030 58.467 56.400 0.061 0.000 0.805 527 E CB -0.348 29.375 29.700 0.038 0.000 0.744 527 E HN 0.594 nan 8.360 nan 0.000 0.451 528 T N 0.434 115.021 114.554 0.054 0.000 2.737 528 T HA -0.114 4.237 4.350 0.002 0.000 0.265 528 T C 2.089 176.866 174.700 0.129 0.000 1.038 528 T CA 1.197 63.336 62.100 0.065 0.000 1.144 528 T CB -0.182 68.687 68.868 0.003 0.000 0.866 528 T HN -0.027 nan 8.240 nan 0.000 0.434 529 V N 1.381 121.364 119.914 0.115 0.000 2.358 529 V HA -0.132 3.989 4.120 0.002 0.000 0.246 529 V C 2.620 178.839 176.094 0.208 0.000 1.047 529 V CA 1.530 63.934 62.300 0.174 0.000 1.035 529 V CB -0.580 31.310 31.823 0.111 0.000 0.658 529 V HN 0.349 nan 8.190 nan 0.000 0.452 530 R N 0.185 120.768 120.500 0.138 0.000 2.073 530 R HA -0.137 4.205 4.340 0.002 0.000 0.234 530 R C 2.479 178.949 176.300 0.283 0.000 1.134 530 R CA 1.552 57.771 56.100 0.197 0.000 0.952 530 R CB -0.648 29.778 30.300 0.209 0.000 0.850 530 R HN 0.534 nan 8.270 nan 0.000 0.433 531 A N 0.373 123.323 122.820 0.217 0.000 1.902 531 A HA -0.219 4.103 4.320 0.002 0.000 0.217 531 A C 1.904 179.618 177.584 0.218 0.000 1.181 531 A CA 1.347 53.494 52.037 0.184 0.000 0.623 531 A CB -0.872 18.215 19.000 0.144 0.000 0.818 531 A HN 0.624 nan 8.150 nan 0.000 0.443 532 W N 0.635 121.981 121.300 0.077 0.000 2.355 532 W HA -0.157 4.504 4.660 0.002 0.000 0.309 532 W C 1.965 178.543 176.519 0.099 0.000 1.206 532 W CA 2.222 59.610 57.345 0.073 0.000 1.284 532 W CB -0.367 29.131 29.460 0.064 0.000 1.145 532 W HN 0.100 nan 8.180 nan 0.000 0.502 533 V N 1.152 121.146 119.914 0.133 0.000 2.295 533 V HA -0.292 3.829 4.120 0.002 0.000 0.246 533 V C 2.394 178.518 176.094 0.051 0.000 1.049 533 V CA 2.317 64.594 62.300 -0.039 0.000 1.024 533 V CB -1.082 30.797 31.823 0.093 0.000 0.648 533 V HN 0.061 nan 8.190 nan 0.000 0.447 534 R N 1.081 121.702 120.500 0.202 0.000 2.127 534 R HA -0.113 4.228 4.340 0.002 0.000 0.238 534 R C 2.064 178.348 176.300 -0.026 0.000 1.134 534 R CA 1.503 57.656 56.100 0.089 0.000 0.975 534 R CB -0.993 29.325 30.300 0.031 0.000 0.865 534 R HN 0.530 nan 8.270 nan 0.000 0.447 535 G N -2.496 106.268 108.800 -0.060 0.000 2.920 535 G HA2 0.218 4.180 3.960 0.002 0.000 0.208 535 G HA3 0.218 4.180 3.960 0.002 0.000 0.208 535 G C 0.760 175.552 174.900 -0.180 0.000 1.159 535 G CA 0.437 45.477 45.100 -0.101 0.000 0.784 535 G HN 0.546 nan 8.290 nan 0.000 0.535 536 G N -1.593 107.062 108.800 -0.243 0.000 2.227 536 G HA2 0.054 4.015 3.960 0.002 0.000 0.168 536 G HA3 0.054 4.015 3.960 0.002 0.000 0.168 536 G C 0.766 175.406 174.900 -0.434 0.000 1.006 536 G CA 0.091 45.040 45.100 -0.253 0.000 0.684 536 G HN 0.875 nan 8.290 nan 0.000 0.489 537 G N -0.010 108.260 108.800 -0.884 0.000 2.716 537 G HA2 0.640 4.601 3.960 0.002 0.000 0.251 537 G HA3 0.640 4.601 3.960 0.002 0.000 0.251 537 G C 0.198 174.679 174.900 -0.698 0.000 1.224 537 G CA 0.604 44.742 45.100 -1.604 0.000 0.891 537 G HN 1.632 nan 8.290 nan 0.000 0.561 538 A N -0.606 121.955 122.820 -0.432 0.000 2.398 538 A HA 0.635 4.957 4.320 0.002 0.000 0.301 538 A C -1.540 176.230 177.584 0.310 0.000 1.041 538 A CA -0.544 51.499 52.037 0.010 0.000 0.711 538 A CB 1.362 20.369 19.000 0.011 0.000 1.240 538 A HN 0.933 nan 8.150 nan 0.000 0.420 539 F N 3.307 123.331 119.950 0.123 0.000 2.460 539 F HA 0.618 5.147 4.527 0.002 0.000 0.341 539 F C -1.039 174.802 175.800 0.069 0.000 1.130 539 F CA -0.603 57.486 58.000 0.150 0.000 0.962 539 F CB 1.802 40.878 39.000 0.126 0.000 1.171 539 F HN 0.348 nan 8.300 nan 0.000 0.436 540 V N 5.556 125.174 119.914 -0.493 0.000 2.370 540 V HA 0.695 4.816 4.120 0.002 0.000 0.283 540 V C 0.255 175.982 176.094 -0.612 0.000 1.023 540 V CA -0.575 61.505 62.300 -0.365 0.000 0.857 540 V CB 1.230 32.939 31.823 -0.191 0.000 0.985 540 V HN 0.948 nan 8.190 nan 0.000 0.443 541 G N 3.589 112.173 108.800 -0.360 0.000 2.478 541 G HA2 0.632 4.594 3.960 0.002 0.000 0.317 541 G HA3 0.632 4.594 3.960 0.002 0.000 0.317 541 G C -1.165 173.621 174.900 -0.191 0.000 1.259 541 G CA -0.442 44.493 45.100 -0.274 0.000 0.933 541 G HN 0.542 nan 8.290 nan 0.000 0.478 542 V N 2.499 122.318 119.914 -0.158 0.000 2.487 542 V HA 0.818 4.939 4.120 0.002 0.000 0.298 542 V C 1.102 177.229 176.094 0.056 0.000 1.028 542 V CA 0.746 62.968 62.300 -0.132 0.000 0.860 542 V CB 0.543 32.340 31.823 -0.043 0.000 0.991 542 V HN 1.631 nan 8.190 nan 0.000 0.427 543 G N 4.916 113.750 108.800 0.057 0.000 3.487 543 G HA2 -0.227 3.734 3.960 0.002 0.000 0.295 543 G HA3 -0.227 3.734 3.960 0.002 0.000 0.295 543 G C 0.178 175.252 174.900 0.290 0.000 1.454 543 G CA 0.434 45.721 45.100 0.311 0.000 1.039 543 G HN 0.698 nan 8.290 nan 0.000 0.624 544 E N 2.294 122.546 120.200 0.086 0.000 3.896 544 E HA 0.303 4.654 4.350 0.002 0.000 0.217 544 E C -2.664 173.614 176.600 -0.537 0.000 1.150 544 E CA -1.547 54.751 56.400 -0.171 0.000 1.338 544 E CB 2.127 31.999 29.700 0.287 0.000 1.242 544 E HN 0.436 nan 8.360 nan 0.000 0.435 545 P HA -0.088 nan 4.420 nan 0.000 0.269 545 P C 0.455 177.342 177.300 -0.688 0.000 1.209 545 P CA 0.489 63.314 63.100 -0.460 0.000 0.776 545 P CB 1.174 32.718 31.700 -0.260 0.000 0.876 546 S N 0.011 115.208 115.700 -0.839 0.000 3.358 546 S HA -0.193 4.278 4.470 0.002 0.000 0.309 546 S C 0.261 174.256 174.600 -1.009 0.000 1.247 546 S CA 0.937 58.041 58.200 -1.826 0.000 0.961 546 S CB -3.096 59.064 63.200 -1.733 0.000 1.074 546 S HN 0.802 nan 8.310 nan 0.000 0.625 547 S N 0.535 115.863 115.700 -0.619 0.000 2.548 547 S HA 0.723 5.195 4.470 0.002 0.000 0.277 547 S C 0.009 174.364 174.600 -0.408 0.000 1.315 547 S CA -0.163 57.709 58.200 -0.546 0.000 1.050 547 S CB 1.477 64.307 63.200 -0.617 0.000 0.918 547 S HN 1.965 nan 8.310 nan 0.000 0.497 548 A N 3.702 126.267 122.820 -0.424 0.000 2.414 548 A HA 0.718 5.040 4.320 0.002 0.000 0.286 548 A C -2.936 174.619 177.584 -0.050 0.000 1.073 548 A CA -1.711 50.226 52.037 -0.166 0.000 0.727 548 A CB 1.172 20.125 19.000 -0.078 0.000 1.215 548 A HN 0.669 nan 8.150 nan 0.000 0.430 549 P HA 0.315 nan 4.420 nan 0.000 0.275 549 P C 0.335 177.791 177.300 0.260 0.000 1.228 549 P CA 0.028 63.331 63.100 0.340 0.000 0.786 549 P CB 0.855 32.751 31.700 0.327 0.000 0.927 550 R N -0.758 119.903 120.500 0.268 0.000 3.961 550 R HA -0.279 4.062 4.340 0.002 0.000 0.457 550 R C 1.444 177.863 176.300 0.198 0.000 0.854 550 R CA 1.367 57.581 56.100 0.190 0.000 1.601 550 R CB -2.432 27.954 30.300 0.143 0.000 2.259 550 R HN 0.402 nan 8.270 nan 0.000 0.486 551 F N 2.010 122.003 119.950 0.072 0.000 2.095 551 F HA -0.110 4.418 4.527 0.002 0.000 0.298 551 F C 0.934 176.760 175.800 0.044 0.000 1.104 551 F CA 1.817 59.844 58.000 0.045 0.000 1.232 551 F CB 0.189 39.209 39.000 0.033 0.000 0.987 551 F HN 0.076 nan 8.300 nan 0.000 0.475 552 Q N -0.482 119.352 119.800 0.056 0.000 2.310 552 Q HA 0.191 4.532 4.340 0.002 0.000 0.270 552 Q C 0.825 176.847 176.000 0.036 0.000 1.025 552 Q CA -0.119 55.654 55.803 -0.050 0.000 0.772 552 Q CB 1.841 30.582 28.738 0.006 0.000 1.253 552 Q HN 0.002 nan 8.270 nan 0.000 0.450 553 T N 1.102 115.655 114.554 -0.001 0.000 2.759 553 T HA -0.142 4.210 4.350 0.002 0.000 0.269 553 T C 1.322 176.039 174.700 0.028 0.000 1.042 553 T CA 1.775 63.886 62.100 0.019 0.000 1.140 553 T CB 0.019 68.885 68.868 -0.004 0.000 0.864 553 T HN 0.826 nan 8.240 nan 0.000 0.455 554 G N 0.070 108.884 108.800 0.024 0.000 3.393 554 G HA2 0.356 4.318 3.960 0.002 0.000 0.255 554 G HA3 0.356 4.318 3.960 0.002 0.000 0.255 554 G C 0.215 175.149 174.900 0.056 0.000 1.097 554 G CA -0.381 44.737 45.100 0.031 0.000 0.780 554 G HN 0.128 nan 8.290 nan 0.000 0.540 555 R N -0.538 120.010 120.500 0.080 0.000 2.549 555 R HA 0.431 4.772 4.340 0.002 0.000 0.291 555 R C -0.993 175.408 176.300 0.169 0.000 1.164 555 R CA -1.262 54.892 56.100 0.090 0.000 0.973 555 R CB 0.299 30.642 30.300 0.072 0.000 1.210 555 R HN -0.026 nan 8.270 nan 0.000 0.422 556 F N 3.830 123.748 119.950 -0.053 0.000 2.298 556 F HA 0.414 4.942 4.527 0.002 0.000 0.282 556 F C -0.008 175.872 175.800 0.134 0.000 1.045 556 F CA 0.259 58.258 58.000 -0.001 0.000 1.280 556 F CB 0.253 39.182 39.000 -0.118 0.000 1.114 556 F HN 0.363 nan 8.300 nan 0.000 0.546 557 F N 3.171 123.062 119.950 -0.098 0.000 2.494 557 F HA 0.159 4.687 4.527 0.002 0.000 0.369 557 F C 1.568 177.231 175.800 -0.228 0.000 1.098 557 F CA -0.821 57.023 58.000 -0.260 0.000 1.154 557 F CB -0.104 38.773 39.000 -0.205 0.000 1.103 557 F HN 0.166 nan 8.300 nan 0.000 0.549 558 Q N 2.704 122.429 119.800 -0.125 0.000 2.167 558 Q HA -0.045 4.296 4.340 0.002 0.000 0.202 558 Q C 1.521 177.453 176.000 -0.114 0.000 0.970 558 Q CA 1.100 56.859 55.803 -0.073 0.000 0.855 558 Q CB 0.025 28.744 28.738 -0.032 0.000 0.911 558 Q HN 0.649 nan 8.270 nan 0.000 0.438 559 L N 0.572 121.633 121.223 -0.270 0.000 2.851 559 L HA 0.245 4.587 4.340 0.002 0.000 0.237 559 L C 1.612 178.383 176.870 -0.165 0.000 1.257 559 L CA -0.233 54.433 54.840 -0.290 0.000 1.061 559 L CB -0.340 41.366 42.059 -0.589 0.000 1.372 559 L HN 0.011 nan 8.230 nan 0.000 0.493 560 A N 0.979 123.769 122.820 -0.051 0.000 1.986 560 A HA -0.257 4.065 4.320 0.002 0.000 0.220 560 A C 2.092 179.648 177.584 -0.048 0.000 1.171 560 A CA 2.051 54.074 52.037 -0.023 0.000 0.640 560 A CB -0.301 18.663 19.000 -0.061 0.000 0.811 560 A HN 0.657 nan 8.150 nan 0.000 0.451 561 D N 0.058 120.439 120.400 -0.030 0.000 2.144 561 D HA -0.122 4.519 4.640 0.002 0.000 0.199 561 D C 1.768 178.072 176.300 0.007 0.000 0.984 561 D CA 1.700 55.730 54.000 0.049 0.000 0.834 561 D CB -0.815 40.072 40.800 0.144 0.000 0.955 561 D HN 0.271 nan 8.370 nan 0.000 0.465 562 V N 1.660 121.403 119.914 -0.284 0.000 2.323 562 V HA -0.143 3.979 4.120 0.002 0.000 0.244 562 V C 2.606 178.612 176.094 -0.148 0.000 1.041 562 V CA 1.692 63.639 62.300 -0.587 0.000 1.025 562 V CB -0.505 30.869 31.823 -0.748 0.000 0.656 562 V HN 0.398 nan 8.190 nan 0.000 0.451 563 I N -2.121 118.428 120.570 -0.035 0.000 3.603 563 I HA 0.464 4.636 4.170 0.002 0.000 0.297 563 I C 1.523 177.671 176.117 0.052 0.000 1.269 563 I CA 0.960 62.309 61.300 0.081 0.000 1.361 563 I CB 0.043 38.153 38.000 0.183 0.000 1.063 563 I HN 0.378 nan 8.210 nan 0.000 0.448 564 G N 1.591 110.391 108.800 0.000 0.000 2.157 564 G HA2 -0.197 3.764 3.960 0.002 0.000 0.248 564 G HA3 -0.197 3.764 3.960 0.002 0.000 0.248 564 G C 0.031 174.849 174.900 -0.136 0.000 0.979 564 G CA 0.160 45.241 45.100 -0.032 0.000 0.650 564 G HN 0.364 nan 8.290 nan 0.000 0.529 565 V N 0.091 119.894 119.914 -0.185 0.000 2.789 565 V HA 0.781 4.902 4.120 0.002 0.000 0.311 565 V C -0.636 175.191 176.094 -0.445 0.000 1.073 565 V CA -0.698 61.365 62.300 -0.396 0.000 0.921 565 V CB 2.135 33.654 31.823 -0.506 0.000 1.009 565 V HN 0.264 nan 8.190 nan 0.000 0.426 566 D N 1.386 121.264 120.400 -0.870 0.000 2.531 566 D HA 0.414 5.055 4.640 0.002 0.000 0.244 566 D C -1.008 174.559 176.300 -1.222 0.000 1.090 566 D CA -0.539 52.810 54.000 -1.086 0.000 0.989 566 D CB 2.639 42.948 40.800 -0.818 0.000 1.433 566 D HN 0.671 nan 8.370 nan 0.000 0.492 567 E N 1.006 120.483 120.200 -1.205 0.000 2.156 567 E HA 0.236 4.587 4.350 0.002 0.000 0.279 567 E C -0.926 175.478 176.600 -0.326 0.000 0.965 567 E CA -0.640 55.375 56.400 -0.642 0.000 0.789 567 E CB 1.082 30.460 29.700 -0.537 0.000 1.098 567 E HN 0.255 nan 8.360 nan 0.000 0.397 568 E N 3.707 123.836 120.200 -0.118 0.000 2.366 568 E HA -0.012 4.340 4.350 0.002 0.000 0.266 568 E C -0.271 176.069 176.600 -0.433 0.000 1.015 568 E CA 0.188 56.481 56.400 -0.179 0.000 0.906 568 E CB 0.551 30.113 29.700 -0.229 0.000 0.979 568 E HN 0.383 nan 8.360 nan 0.000 0.443 569 R N 4.239 124.509 120.500 -0.383 0.000 2.586 569 R HA 0.096 4.437 4.340 0.002 0.000 0.336 569 R C -0.359 175.895 176.300 -0.075 0.000 1.060 569 R CA -0.384 55.514 56.100 -0.336 0.000 1.079 569 R CB -0.543 29.519 30.300 -0.396 0.000 1.317 569 R HN 0.810 nan 8.270 nan 0.000 0.568 570 Y N -0.714 119.520 120.300 -0.111 0.000 4.841 570 Y HA -0.294 4.257 4.550 0.002 0.000 0.242 570 Y C 1.414 177.272 175.900 -0.069 0.000 1.002 570 Y CA 0.774 58.825 58.100 -0.082 0.000 2.011 570 Y CB -1.558 36.861 38.460 -0.069 0.000 1.554 570 Y HN 0.119 nan 8.280 nan 0.000 0.618 571 Q N -0.313 119.491 119.800 0.007 0.000 2.376 571 Q HA 0.116 4.457 4.340 0.002 0.000 0.206 571 Q C 1.581 177.561 176.000 -0.034 0.000 0.921 571 Q CA 1.531 57.332 55.803 -0.003 0.000 0.911 571 Q CB 0.073 28.808 28.738 -0.005 0.000 1.032 571 Q HN 0.690 nan 8.270 nan 0.000 0.510 572 T N -2.683 111.825 114.554 -0.077 0.000 3.296 572 T HA 0.389 4.740 4.350 0.002 0.000 0.285 572 T C 1.364 175.978 174.700 -0.144 0.000 1.014 572 T CA -0.221 61.816 62.100 -0.105 0.000 0.920 572 T CB -0.279 68.519 68.868 -0.116 0.000 1.143 572 T HN -0.008 nan 8.240 nan 0.000 0.522 573 L N 0.440 121.598 121.223 -0.107 0.000 2.201 573 L HA 0.020 4.362 4.340 0.002 0.000 0.212 573 L C 2.637 179.447 176.870 -0.100 0.000 1.105 573 L CA 0.688 55.462 54.840 -0.110 0.000 0.775 573 L CB -0.522 41.509 42.059 -0.047 0.000 0.913 573 L HN 0.328 nan 8.230 nan 0.000 0.440 574 S N -0.604 115.051 115.700 -0.076 0.000 2.469 574 S HA -0.037 4.434 4.470 0.002 0.000 0.238 574 S C 0.865 175.417 174.600 -0.081 0.000 0.998 574 S CA 0.313 58.474 58.200 -0.065 0.000 0.957 574 S CB -0.083 63.092 63.200 -0.043 0.000 0.764 574 S HN 0.087 nan 8.310 nan 0.000 0.514 575 V N 3.486 123.331 119.914 -0.115 0.000 2.389 575 V HA 0.154 4.275 4.120 0.002 0.000 0.264 575 V C 0.160 176.132 176.094 -0.203 0.000 1.049 575 V CA -0.799 61.422 62.300 -0.132 0.000 0.932 575 V CB 0.662 32.403 31.823 -0.137 0.000 1.011 575 V HN 0.253 nan 8.190 nan 0.000 0.475 576 D N 5.094 125.381 120.400 -0.189 0.000 2.458 576 D HA 0.098 4.740 4.640 0.002 0.000 0.243 576 D C 0.021 176.024 176.300 -0.496 0.000 1.146 576 D CA 0.068 53.854 54.000 -0.356 0.000 0.877 576 D CB 0.994 41.573 40.800 -0.369 0.000 1.176 576 D HN 0.339 nan 8.370 nan 0.000 0.461 577 K N 2.836 122.932 120.400 -0.506 0.000 2.211 577 K HA 0.248 4.569 4.320 0.002 0.000 0.275 577 K C -0.598 175.807 176.600 -0.326 0.000 1.024 577 K CA -0.577 55.505 56.287 -0.341 0.000 0.887 577 K CB 0.681 33.082 32.500 -0.164 0.000 1.084 577 K HN 0.322 nan 8.250 nan 0.000 0.463 578 Y N 2.324 122.721 120.300 0.162 0.000 2.334 578 Y HA 0.332 4.884 4.550 0.002 0.000 0.336 578 Y C -0.100 175.958 175.900 0.263 0.000 0.960 578 Y CA -0.790 57.422 58.100 0.186 0.000 1.164 578 Y CB 0.798 39.301 38.460 0.071 0.000 1.155 578 Y HN 0.394 nan 8.280 nan 0.000 0.478 579 F N 6.063 126.070 119.950 0.094 0.000 2.410 579 F HA 0.399 4.927 4.527 0.002 0.000 0.349 579 F C -1.796 173.987 175.800 -0.028 0.000 1.117 579 F CA -2.412 55.611 58.000 0.038 0.000 1.104 579 F CB 1.148 40.163 39.000 0.025 0.000 1.122 579 F HN 0.334 nan 8.300 nan 0.000 0.483 580 P HA 0.165 nan 4.420 nan 0.000 0.272 580 P C -2.706 174.543 177.300 -0.085 0.000 1.240 580 P CA -1.582 61.517 63.100 -0.002 0.000 0.791 580 P CB 0.012 31.719 31.700 0.012 0.000 0.978 581 P HA 0.027 nan 4.420 nan 0.000 0.266 581 P C -0.253 177.102 177.300 0.091 0.000 1.195 581 P CA 0.139 63.078 63.100 -0.268 0.000 0.768 581 P CB 0.203 31.827 31.700 -0.126 0.000 0.838 582 V N 4.208 124.322 119.914 0.334 0.000 2.655 582 V HA -0.006 4.115 4.120 0.002 0.000 0.300 582 V C 0.476 176.780 176.094 0.351 0.000 1.044 582 V CA 0.135 62.657 62.300 0.372 0.000 1.095 582 V CB 1.005 33.125 31.823 0.495 0.000 0.952 582 V HN 0.217 nan 8.190 nan 0.000 0.485 583 V N 8.244 128.278 119.914 0.199 0.000 2.288 583 V HA 0.219 4.340 4.120 0.002 0.000 0.266 583 V C -1.026 175.136 176.094 0.114 0.000 1.048 583 V CA -0.842 61.563 62.300 0.174 0.000 0.842 583 V CB 1.065 32.974 31.823 0.144 0.000 1.064 583 V HN 0.861 nan 8.190 nan 0.000 0.472 584 P HA 0.054 nan 4.420 nan 0.000 0.231 584 P C -0.019 177.295 177.300 0.022 0.000 1.168 584 P CA 0.516 63.606 63.100 -0.017 0.000 0.779 584 P CB 0.584 32.226 31.700 -0.097 0.000 0.844 585 D N 0.677 121.125 120.400 0.079 0.000 2.392 585 D HA 0.272 4.913 4.640 0.002 0.000 0.228 585 D C -0.221 176.152 176.300 0.122 0.000 1.074 585 D CA 0.231 54.273 54.000 0.070 0.000 0.838 585 D CB 0.904 41.741 40.800 0.063 0.000 1.067 585 D HN 0.196 nan 8.370 nan 0.000 0.511 586 H N 1.665 120.720 119.070 -0.025 0.000 3.079 586 H HA 0.010 4.567 4.556 0.002 0.000 0.356 586 H C 0.102 175.415 175.328 -0.025 0.000 1.221 586 H CA -0.636 55.399 56.048 -0.021 0.000 1.185 586 H CB 1.283 31.003 29.762 -0.070 0.000 1.882 586 H HN 0.247 nan 8.280 nan 0.000 0.543 587 F N 3.603 123.317 119.950 -0.394 0.000 2.111 587 F HA -0.257 4.271 4.527 0.003 0.000 0.300 587 F C 1.844 177.582 175.800 -0.104 0.000 1.088 587 F CA 2.281 60.143 58.000 -0.230 0.000 1.243 587 F CB -0.164 38.709 39.000 -0.211 0.000 0.996 587 F HN 0.575 nan 8.300 nan 0.000 0.483 588 I N -0.215 120.518 120.570 0.271 0.000 2.286 588 I HA -0.267 3.905 4.170 0.002 0.000 0.248 588 I C 1.971 178.037 176.117 -0.086 0.000 1.115 588 I CA 1.806 63.146 61.300 0.067 0.000 1.392 588 I CB -0.637 37.373 38.000 0.016 0.000 1.065 588 I HN 0.298 nan 8.210 nan 0.000 0.418 589 T N -1.789 112.733 114.554 -0.052 0.000 3.163 589 T HA 0.359 4.710 4.350 0.002 0.000 0.252 589 T C 1.568 176.192 174.700 -0.128 0.000 1.056 589 T CA 0.321 62.367 62.100 -0.090 0.000 0.947 589 T CB 0.273 69.105 68.868 -0.060 0.000 1.016 589 T HN 0.244 nan 8.240 nan 0.000 0.554 590 A N 2.055 124.754 122.820 -0.201 0.000 2.019 590 A HA -0.053 4.268 4.320 0.002 0.000 0.219 590 A C 1.948 179.429 177.584 -0.171 0.000 1.164 590 A CA 1.226 53.140 52.037 -0.204 0.000 0.644 590 A CB -0.318 18.491 19.000 -0.319 0.000 0.805 590 A HN 0.467 nan 8.150 nan 0.000 0.449 591 D N -0.678 119.614 120.400 -0.179 0.000 2.369 591 D HA 0.174 4.815 4.640 0.002 0.000 0.211 591 D C -0.014 176.218 176.300 -0.113 0.000 1.077 591 D CA 0.048 53.968 54.000 -0.133 0.000 0.842 591 D CB 0.360 41.085 40.800 -0.126 0.000 0.947 591 D HN 0.135 nan 8.370 nan 0.000 0.509 592 V N 3.106 122.949 119.914 -0.119 0.000 2.529 592 V HA 0.068 4.189 4.120 0.002 0.000 0.292 592 V C -1.853 174.184 176.094 -0.095 0.000 1.028 592 V CA -1.052 61.178 62.300 -0.116 0.000 1.074 592 V CB 0.368 32.117 31.823 -0.123 0.000 0.958 592 V HN -0.047 nan 8.190 nan 0.000 0.481 593 P HA 0.136 nan 4.420 nan 0.000 0.268 593 P C -0.563 176.697 177.300 -0.066 0.000 1.204 593 P CA -0.055 63.003 63.100 -0.069 0.000 0.768 593 P CB 0.414 32.075 31.700 -0.066 0.000 0.842 594 V N 3.551 123.433 119.914 -0.052 0.000 2.498 594 V HA 0.172 4.293 4.120 0.002 0.000 0.279 594 V C 0.367 176.441 176.094 -0.034 0.000 1.048 594 V CA 0.003 62.276 62.300 -0.045 0.000 0.967 594 V CB 1.153 32.957 31.823 -0.031 0.000 0.988 594 V HN 0.533 nan 8.190 nan 0.000 0.473 595 D N 6.499 126.879 120.400 -0.034 0.000 2.441 595 D HA 0.383 5.025 4.640 0.002 0.000 0.231 595 D C -1.932 174.367 176.300 -0.003 0.000 1.073 595 D CA -2.144 51.844 54.000 -0.020 0.000 0.850 595 D CB 2.379 43.163 40.800 -0.027 0.000 1.062 595 D HN 0.182 nan 8.370 nan 0.000 0.524 596 P HA 0.053 nan 4.420 nan 0.000 0.222 596 P C 1.060 178.378 177.300 0.030 0.000 1.153 596 P CA 0.659 63.772 63.100 0.022 0.000 0.798 596 P CB 0.327 32.038 31.700 0.017 0.000 0.796 597 A N 0.515 123.348 122.820 0.022 0.000 1.877 597 A HA -0.109 4.212 4.320 0.002 0.000 0.216 597 A C 2.333 179.942 177.584 0.040 0.000 1.186 597 A CA 2.156 54.209 52.037 0.026 0.000 0.620 597 A CB -1.573 17.437 19.000 0.017 0.000 0.822 597 A HN 0.196 nan 8.150 nan 0.000 0.443 598 A N -0.287 122.553 122.820 0.034 0.000 1.873 598 A HA -0.141 4.181 4.320 0.002 0.000 0.215 598 A C 2.229 179.873 177.584 0.100 0.000 1.186 598 A CA 1.922 53.988 52.037 0.048 0.000 0.616 598 A CB -0.453 18.552 19.000 0.010 0.000 0.823 598 A HN 0.551 nan 8.150 nan 0.000 0.442 599 R N 0.567 121.121 120.500 0.089 0.000 2.092 599 R HA -0.161 4.180 4.340 0.002 0.000 0.231 599 R C 2.122 178.576 176.300 0.258 0.000 1.119 599 R CA 1.840 58.046 56.100 0.177 0.000 0.970 599 R CB -0.334 30.029 30.300 0.105 0.000 0.864 599 R HN 0.793 nan 8.270 nan 0.000 0.440 600 E N -0.331 119.953 120.200 0.141 0.000 2.107 600 E HA -0.101 4.250 4.350 0.002 0.000 0.191 600 E C 1.888 178.533 176.600 0.076 0.000 0.982 600 E CA 0.931 57.389 56.400 0.097 0.000 0.809 600 E CB -0.306 29.427 29.700 0.054 0.000 0.756 600 E HN 0.346 nan 8.360 nan 0.000 0.459 601 A N 1.425 124.296 122.820 0.086 0.000 1.908 601 A HA -0.188 4.133 4.320 0.002 0.000 0.218 601 A C 1.950 179.586 177.584 0.086 0.000 1.181 601 A CA 1.511 53.589 52.037 0.067 0.000 0.627 601 A CB -1.283 17.758 19.000 0.068 0.000 0.818 601 A HN 0.694 nan 8.150 nan 0.000 0.445 602 W N 0.673 121.943 121.300 -0.050 0.000 2.381 602 W HA -0.112 4.549 4.660 0.002 0.000 0.301 602 W C 1.896 178.342 176.519 -0.123 0.000 1.205 602 W CA 1.755 59.053 57.345 -0.079 0.000 1.285 602 W CB -0.161 29.269 29.460 -0.051 0.000 1.133 602 W HN 0.445 nan 8.180 nan 0.000 0.521 603 E N -0.206 119.899 120.200 -0.158 0.000 2.077 603 E HA -0.287 4.064 4.350 0.002 0.000 0.193 603 E C 2.299 178.683 176.600 -0.359 0.000 0.989 603 E CA 1.572 57.715 56.400 -0.429 0.000 0.800 603 E CB -0.246 29.392 29.700 -0.104 0.000 0.746 603 E HN 0.298 nan 8.360 nan 0.000 0.452 604 Q N -0.210 119.475 119.800 -0.193 0.000 2.046 604 Q HA -0.080 4.261 4.340 0.002 0.000 0.200 604 Q C 2.227 178.118 176.000 -0.182 0.000 0.975 604 Q CA 1.359 57.074 55.803 -0.146 0.000 0.836 604 Q CB -0.333 28.360 28.738 -0.075 0.000 0.896 604 Q HN 0.253 nan 8.270 nan 0.000 0.428 605 A N 0.447 123.150 122.820 -0.194 0.000 2.019 605 A HA 0.128 4.450 4.320 0.002 0.000 0.219 605 A C 1.289 178.707 177.584 -0.277 0.000 1.164 605 A CA 1.499 53.424 52.037 -0.186 0.000 0.644 605 A CB -0.835 18.087 19.000 -0.131 0.000 0.805 605 A HN 0.475 nan 8.150 nan 0.000 0.449 606 G N -1.991 106.519 108.800 -0.484 0.000 2.601 606 G HA2 -0.221 3.740 3.960 0.002 0.000 0.261 606 G HA3 -0.221 3.740 3.960 0.002 0.000 0.261 606 G C -0.286 174.228 174.900 -0.643 0.000 1.289 606 G CA 0.319 45.039 45.100 -0.632 0.000 0.920 606 G HN 0.658 nan 8.290 nan 0.000 0.571 607 Y N 0.281 120.497 120.300 -0.140 0.000 2.487 607 Y HA 0.661 5.212 4.550 0.003 0.000 0.337 607 Y C 1.309 177.173 175.900 -0.060 0.000 1.076 607 Y CA -0.909 57.140 58.100 -0.086 0.000 1.115 607 Y CB 1.143 39.573 38.460 -0.051 0.000 1.235 607 Y HN 0.612 nan 8.280 nan 0.000 0.468 608 R N 2.036 122.606 120.500 0.118 0.000 2.522 608 R HA 0.144 4.485 4.340 0.002 0.000 0.284 608 R C -0.436 175.906 176.300 0.070 0.000 1.032 608 R CA -0.085 56.043 56.100 0.047 0.000 1.049 608 R CB 0.198 30.493 30.300 -0.008 0.000 0.956 608 R HN 0.478 nan 8.270 nan 0.000 0.422 609 I N 4.664 125.264 120.570 0.050 0.000 2.638 609 I HA 0.112 4.284 4.170 0.002 0.000 0.286 609 I C -1.704 174.456 176.117 0.073 0.000 1.088 609 I CA -2.245 59.089 61.300 0.055 0.000 1.397 609 I CB 0.600 38.618 38.000 0.031 0.000 1.414 609 I HN 0.292 nan 8.210 nan 0.000 0.566 610 P HA 0.177 nan 4.420 nan 0.000 0.264 610 P C -0.689 176.666 177.300 0.092 0.000 1.183 610 P CA 0.197 63.400 63.100 0.171 0.000 0.763 610 P CB 0.558 32.381 31.700 0.205 0.000 0.807 611 L N 1.765 123.030 121.223 0.070 0.000 2.455 611 L HA 0.334 4.675 4.340 0.002 0.000 0.264 611 L C 0.014 176.893 176.870 0.015 0.000 0.968 611 L CA -0.922 53.935 54.840 0.029 0.000 0.827 611 L CB 2.248 44.309 42.059 0.004 0.000 1.317 611 L HN 0.263 nan 8.230 nan 0.000 0.407 612 S N 2.100 117.808 115.700 0.013 0.000 2.563 612 S HA 0.240 4.711 4.470 0.002 0.000 0.294 612 S C 1.190 175.778 174.600 -0.019 0.000 1.279 612 S CA 1.213 59.416 58.200 0.005 0.000 1.069 612 S CB 0.245 63.447 63.200 0.003 0.000 0.828 612 S HN 1.211 nan 8.310 nan 0.000 0.497 613 G N 3.096 111.876 108.800 -0.034 0.000 2.196 613 G HA2 -0.270 3.692 3.960 0.002 0.000 0.268 613 G HA3 -0.270 3.692 3.960 0.002 0.000 0.268 613 G C 0.589 175.440 174.900 -0.083 0.000 0.975 613 G CA 0.415 45.481 45.100 -0.056 0.000 0.648 613 G HN 0.939 nan 8.290 nan 0.000 0.538 614 C N 0.147 119.390 119.300 -0.094 0.000 3.642 614 C HA 0.641 5.102 4.460 0.002 0.000 0.305 614 C C 2.076 176.961 174.990 -0.175 0.000 1.492 614 C CA 0.122 59.073 59.018 -0.112 0.000 1.809 614 C CB -0.597 27.100 27.740 -0.073 0.000 2.639 614 C HN 1.929 nan 8.230 nan 0.000 0.672 615 G N 1.390 110.031 108.800 -0.264 0.000 2.581 615 G HA2 0.243 4.204 3.960 0.002 0.000 0.291 615 G HA3 0.243 4.204 3.960 0.002 0.000 0.291 615 G C 0.023 174.792 174.900 -0.218 0.000 1.277 615 G CA 0.236 45.018 45.100 -0.530 0.000 0.959 615 G HN 1.441 nan 8.290 nan 0.000 0.554 616 G N -3.939 104.783 108.800 -0.130 0.000 2.506 616 G HA2 0.708 4.670 3.960 0.002 0.000 0.292 616 G HA3 0.708 4.670 3.960 0.002 0.000 0.292 616 G C 0.907 175.888 174.900 0.134 0.000 1.425 616 G CA 1.175 46.344 45.100 0.115 0.000 0.788 616 G HN 2.639 nan 8.290 nan 0.000 0.490 617 G N -1.237 107.613 108.800 0.084 0.000 2.213 617 G HA2 -0.190 3.771 3.960 0.002 0.000 0.236 617 G HA3 -0.190 3.771 3.960 0.002 0.000 0.236 617 G C 0.357 175.264 174.900 0.011 0.000 0.991 617 G CA 0.832 45.955 45.100 0.039 0.000 0.629 617 G HN 0.972 nan 8.290 nan 0.000 0.517 618 Q N 1.642 121.345 119.800 -0.161 0.000 2.332 618 Q HA 0.517 4.858 4.340 0.002 0.000 0.263 618 Q C 0.853 176.941 176.000 0.145 0.000 0.979 618 Q CA 0.538 56.201 55.803 -0.234 0.000 0.885 618 Q CB 1.146 29.554 28.738 -0.550 0.000 1.218 618 Q HN 0.759 nan 8.270 nan 0.000 0.405 619 S N 1.898 117.785 115.700 0.311 0.000 2.549 619 S HA 0.101 4.573 4.470 0.002 0.000 0.286 619 S C 0.699 175.335 174.600 0.061 0.000 1.314 619 S CA -0.377 57.943 58.200 0.200 0.000 1.062 619 S CB 0.335 63.754 63.200 0.366 0.000 0.865 619 S HN 0.646 nan 8.310 nan 0.000 0.498 620 I N 1.709 122.255 120.570 -0.040 0.000 2.500 620 I HA 0.057 4.228 4.170 0.002 0.000 0.252 620 I C 1.239 177.361 176.117 0.009 0.000 1.142 620 I CA 0.864 62.148 61.300 -0.028 0.000 1.451 620 I CB -0.014 37.949 38.000 -0.063 0.000 1.093 620 I HN 0.595 nan 8.210 nan 0.000 0.430 621 K N 1.380 121.800 120.400 0.033 0.000 2.208 621 K HA 0.395 4.717 4.320 0.002 0.000 0.247 621 K C -2.486 174.256 176.600 0.237 0.000 0.953 621 K CA -1.871 54.479 56.287 0.105 0.000 0.837 621 K CB 1.722 34.272 32.500 0.085 0.000 1.131 621 K HN -0.229 nan 8.250 nan 0.000 0.431 622 P HA 0.038 nan 4.420 nan 0.000 0.284 622 P C 0.177 177.530 177.300 0.088 0.000 1.253 622 P CA -0.446 62.740 63.100 0.145 0.000 0.800 622 P CB 0.955 32.705 31.700 0.084 0.000 0.961 623 L N 3.545 124.690 121.223 -0.130 0.000 2.044 623 L HA 0.141 4.482 4.340 0.002 0.000 0.205 623 L C 1.302 178.065 176.870 -0.179 0.000 1.075 623 L CA 2.643 57.238 54.840 -0.408 0.000 0.747 623 L CB -1.536 39.944 42.059 -0.965 0.000 0.903 623 L HN 0.812 nan 8.230 nan 0.000 0.435 624 G N -1.408 107.336 108.800 -0.093 0.000 2.601 624 G HA2 0.110 4.071 3.960 0.002 0.000 0.252 624 G HA3 0.110 4.071 3.960 0.002 0.000 0.252 624 G C 0.934 175.794 174.900 -0.066 0.000 1.294 624 G CA 0.138 45.219 45.100 -0.031 0.000 0.912 624 G HN 1.521 nan 8.290 nan 0.000 0.574 625 G N -2.196 106.562 108.800 -0.070 0.000 2.213 625 G HA2 -0.061 3.900 3.960 0.002 0.000 0.236 625 G HA3 -0.061 3.900 3.960 0.002 0.000 0.236 625 G C 0.287 175.094 174.900 -0.155 0.000 0.991 625 G CA 0.866 45.904 45.100 -0.103 0.000 0.629 625 G HN 1.687 nan 8.290 nan 0.000 0.517 626 I N 1.108 121.558 120.570 -0.200 0.000 2.499 626 I HA 0.362 4.534 4.170 0.002 0.000 0.288 626 I C -1.190 174.637 176.117 -0.484 0.000 1.048 626 I CA -0.922 60.110 61.300 -0.447 0.000 1.062 626 I CB 2.105 39.642 38.000 -0.771 0.000 1.238 626 I HN 0.033 nan 8.210 nan 0.000 0.426 627 D N 5.615 125.760 120.400 -0.425 0.000 2.365 627 D HA 0.223 4.864 4.640 0.002 0.000 0.237 627 D C -0.013 176.078 176.300 -0.347 0.000 1.190 627 D CA 0.066 53.913 54.000 -0.254 0.000 0.867 627 D CB 0.453 41.171 40.800 -0.136 0.000 1.050 627 D HN 0.278 nan 8.370 nan 0.000 0.491 628 F N 2.389 122.299 119.950 -0.066 0.000 2.693 628 F HA 0.302 4.830 4.527 0.003 0.000 0.303 628 F C 1.975 177.681 175.800 -0.157 0.000 1.097 628 F CA 0.323 58.256 58.000 -0.112 0.000 1.330 628 F CB 0.094 39.036 39.000 -0.096 0.000 1.067 628 F HN 0.613 nan 8.300 nan 0.000 0.565 629 G N 0.269 109.089 108.800 0.032 0.000 2.556 629 G HA2 -0.265 3.696 3.960 0.002 0.000 0.283 629 G HA3 -0.265 3.696 3.960 0.002 0.000 0.283 629 G C -0.078 174.816 174.900 -0.011 0.000 1.177 629 G CA -0.461 44.604 45.100 -0.059 0.000 0.978 629 G HN 0.139 nan 8.290 nan 0.000 0.554 630 E N 3.032 123.152 120.200 -0.133 0.000 2.324 630 E HA 0.312 4.664 4.350 0.002 0.000 0.271 630 E C -1.623 174.983 176.600 0.010 0.000 1.028 630 E CA -0.915 55.477 56.400 -0.014 0.000 0.890 630 E CB 0.974 30.656 29.700 -0.031 0.000 1.004 630 E HN 0.417 nan 8.360 nan 0.000 0.431 631 P HA 0.055 nan 4.420 nan 0.000 0.271 631 P C -0.394 176.968 177.300 0.103 0.000 1.218 631 P CA -0.227 62.917 63.100 0.074 0.000 0.780 631 P CB 0.733 32.482 31.700 0.081 0.000 0.901 632 V N 4.328 124.319 119.914 0.129 0.000 2.311 632 V HA 0.172 4.293 4.120 0.002 0.000 0.275 632 V C 0.762 176.941 176.094 0.142 0.000 1.022 632 V CA -0.658 61.754 62.300 0.187 0.000 0.830 632 V CB 0.570 32.578 31.823 0.307 0.000 1.012 632 V HN 0.405 nan 8.190 nan 0.000 0.452 633 L N 5.655 126.947 121.223 0.115 0.000 2.455 633 L HA 0.268 4.609 4.340 0.002 0.000 0.272 633 L C 0.942 177.830 176.870 0.031 0.000 1.174 633 L CA 0.003 54.891 54.840 0.079 0.000 0.869 633 L CB 0.039 42.154 42.059 0.093 0.000 1.130 633 L HN 0.782 nan 8.230 nan 0.000 0.474 634 N N 0.060 118.781 118.700 0.035 0.000 2.776 634 N HA -0.143 4.598 4.740 0.002 0.000 0.249 634 N C 0.151 175.676 175.510 0.026 0.000 1.111 634 N CA 1.080 54.136 53.050 0.010 0.000 0.711 634 N CB -1.565 36.846 38.487 -0.128 0.000 1.065 634 N HN 0.875 nan 8.380 nan 0.000 0.556 635 T N -0.830 113.730 114.554 0.011 0.000 2.926 635 T HA 0.422 4.773 4.350 0.002 0.000 0.307 635 T C 0.146 174.829 174.700 -0.027 0.000 1.059 635 T CA -0.227 61.799 62.100 -0.124 0.000 1.122 635 T CB 1.037 69.820 68.868 -0.141 0.000 0.972 635 T HN 0.346 nan 8.240 nan 0.000 0.545 636 Y N -0.601 119.524 120.300 -0.292 0.000 2.597 636 Y HA 0.723 5.274 4.550 0.002 0.000 0.340 636 Y C -3.275 172.326 175.900 -0.498 0.000 1.097 636 Y CA -3.420 54.404 58.100 -0.461 0.000 1.037 636 Y CB 0.761 39.055 38.460 -0.278 0.000 1.305 636 Y HN 0.459 nan 8.280 nan 0.000 0.463 637 P HA 0.079 nan 4.420 nan 0.000 0.280 637 P C 0.836 178.055 177.300 -0.134 0.000 1.244 637 P CA -0.273 62.616 63.100 -0.352 0.000 0.784 637 P CB 2.165 33.664 31.700 -0.334 0.000 0.913 638 V N 0.439 120.257 119.914 -0.160 0.000 2.626 638 V HA -0.086 4.035 4.120 0.002 0.000 0.252 638 V C 0.535 176.658 176.094 0.047 0.000 1.067 638 V CA 1.479 63.765 62.300 -0.023 0.000 1.081 638 V CB -1.696 30.086 31.823 -0.068 0.000 0.686 638 V HN 0.723 nan 8.190 nan 0.000 0.468 639 N N -1.650 117.059 118.700 0.016 0.000 3.020 639 N HA 0.268 5.009 4.740 0.002 0.000 0.248 639 N C -0.283 175.241 175.510 0.023 0.000 1.480 639 N CA -0.518 52.554 53.050 0.037 0.000 0.874 639 N CB 0.877 39.387 38.487 0.037 0.000 1.433 639 N HN 0.022 nan 8.380 nan 0.000 0.530 640 E N -1.014 119.207 120.200 0.036 0.000 2.489 640 E HA 0.128 4.479 4.350 0.002 0.000 0.193 640 E C -0.070 176.544 176.600 0.023 0.000 1.057 640 E CA 0.264 56.682 56.400 0.030 0.000 0.866 640 E CB -0.400 29.321 29.700 0.036 0.000 0.916 640 E HN 0.524 nan 8.360 nan 0.000 0.500 641 N N -0.266 118.449 118.700 0.026 0.000 2.412 641 N HA 0.003 4.744 4.740 0.002 0.000 0.184 641 N C -0.191 175.343 175.510 0.041 0.000 1.101 641 N CA -0.181 52.889 53.050 0.034 0.000 0.881 641 N CB 0.717 39.226 38.487 0.036 0.000 0.969 641 N HN -0.115 nan 8.380 nan 0.000 0.459 642 V N 1.489 121.418 119.914 0.025 0.000 2.740 642 V HA 0.010 4.131 4.120 0.002 0.000 0.303 642 V C 0.568 176.675 176.094 0.021 0.000 1.054 642 V CA 0.105 62.417 62.300 0.021 0.000 1.106 642 V CB 1.187 32.998 31.823 -0.019 0.000 0.957 642 V HN 0.149 nan 8.190 nan 0.000 0.486 643 T N 6.864 121.435 114.554 0.029 0.000 2.723 643 T HA 0.424 4.775 4.350 0.002 0.000 0.297 643 T C -0.071 174.614 174.700 -0.024 0.000 0.925 643 T CA -0.190 61.919 62.100 0.015 0.000 1.030 643 T CB -0.055 68.827 68.868 0.024 0.000 0.905 643 T HN 0.350 nan 8.240 nan 0.000 0.502 644 L N 4.700 125.923 121.223 -0.001 0.000 2.290 644 L HA 0.341 4.682 4.340 0.002 0.000 0.284 644 L C 1.134 178.003 176.870 -0.002 0.000 1.078 644 L CA -0.388 54.456 54.840 0.006 0.000 0.815 644 L CB 0.795 42.891 42.059 0.061 0.000 1.162 644 L HN 0.619 nan 8.230 nan 0.000 0.435 645 L N 2.524 123.718 121.223 -0.048 0.000 2.388 645 L HA 0.249 4.590 4.340 0.002 0.000 0.209 645 L C 0.463 177.321 176.870 -0.019 0.000 1.061 645 L CA 0.293 55.089 54.840 -0.073 0.000 0.834 645 L CB 0.091 42.051 42.059 -0.163 0.000 1.029 645 L HN 0.546 nan 8.230 nan 0.000 0.473 646 R N 0.409 120.908 120.500 -0.001 0.000 2.515 646 R HA 0.606 4.948 4.340 0.002 0.000 0.291 646 R C -1.172 175.138 176.300 0.016 0.000 1.046 646 R CA -0.221 55.888 56.100 0.014 0.000 0.914 646 R CB 1.884 32.228 30.300 0.074 0.000 1.191 646 R HN -0.056 nan 8.270 nan 0.000 0.435 647 A N 2.850 125.736 122.820 0.110 0.000 3.409 647 A HA 0.309 4.630 4.320 0.002 0.000 0.282 647 A C -0.914 176.800 177.584 0.216 0.000 1.064 647 A CA -0.677 51.477 52.037 0.195 0.000 0.889 647 A CB 0.277 19.480 19.000 0.338 0.000 1.251 647 A HN 0.415 nan 8.150 nan 0.000 0.538 648 D N 0.118 120.598 120.400 0.133 0.000 2.225 648 D HA 0.514 5.155 4.640 0.002 0.000 0.249 648 D C 1.214 177.575 176.300 0.101 0.000 1.052 648 D CA 1.242 55.316 54.000 0.124 0.000 0.909 648 D CB 1.523 42.379 40.800 0.094 0.000 1.186 648 D HN 0.976 nan 8.370 nan 0.000 0.431 649 G N 0.910 109.760 108.800 0.083 0.000 2.221 649 G HA2 -0.085 3.876 3.960 0.002 0.000 0.265 649 G HA3 -0.085 3.876 3.960 0.002 0.000 0.265 649 G C 0.951 175.872 174.900 0.034 0.000 1.041 649 G CA 0.542 45.675 45.100 0.054 0.000 0.807 649 G HN 1.232 nan 8.290 nan 0.000 0.502 650 G N -1.568 107.232 108.800 -0.001 0.000 2.160 650 G HA2 0.063 4.024 3.960 0.002 0.000 0.251 650 G HA3 0.063 4.024 3.960 0.002 0.000 0.251 650 G C 0.251 175.186 174.900 0.059 0.000 1.008 650 G CA 1.589 46.632 45.100 -0.096 0.000 0.724 650 G HN 2.137 nan 8.290 nan 0.000 0.514 651 Q N -2.145 117.775 119.800 0.199 0.000 2.814 651 Q HA 0.740 5.082 4.340 0.002 0.000 0.322 651 Q C -1.344 174.823 176.000 0.277 0.000 0.888 651 Q CA -1.057 54.925 55.803 0.298 0.000 0.768 651 Q CB 1.818 30.650 28.738 0.157 0.000 1.443 651 Q HN 0.480 nan 8.270 nan 0.000 0.497 652 V N 1.316 121.326 119.914 0.160 0.000 2.495 652 V HA 0.192 4.314 4.120 0.002 0.000 0.298 652 V C -0.362 175.757 176.094 0.042 0.000 1.031 652 V CA -0.345 62.006 62.300 0.085 0.000 0.871 652 V CB 1.410 33.224 31.823 -0.015 0.000 0.988 652 V HN 0.803 nan 8.190 nan 0.000 0.432 653 Q N 2.905 122.604 119.800 -0.169 0.000 2.423 653 Q HA 0.428 4.770 4.340 0.002 0.000 0.231 653 Q C -0.331 175.301 176.000 -0.613 0.000 0.894 653 Q CA 0.289 55.728 55.803 -0.607 0.000 0.938 653 Q CB 0.852 28.760 28.738 -1.384 0.000 1.079 653 Q HN 0.560 nan 8.270 nan 0.000 0.552 654 L N -0.188 120.858 121.223 -0.296 0.000 2.543 654 L HA 0.807 5.149 4.340 0.002 0.000 0.265 654 L C -2.077 174.771 176.870 -0.037 0.000 0.945 654 L CA -0.530 54.224 54.840 -0.142 0.000 0.869 654 L CB 1.864 43.902 42.059 -0.034 0.000 1.294 654 L HN -0.025 nan 8.230 nan 0.000 0.405 655 A N 2.386 125.210 122.820 0.006 0.000 2.604 655 A HA 0.852 5.173 4.320 0.002 0.000 0.295 655 A C -1.175 176.413 177.584 0.007 0.000 1.067 655 A CA -0.245 51.793 52.037 0.001 0.000 0.683 655 A CB 1.991 21.014 19.000 0.038 0.000 1.281 655 A HN 0.644 nan 8.150 nan 0.000 0.407 656 T N 0.193 114.740 114.554 -0.012 0.000 2.906 656 T HA 0.679 5.031 4.350 0.002 0.000 0.295 656 T C -1.392 173.366 174.700 0.096 0.000 1.061 656 T CA -0.491 61.646 62.100 0.062 0.000 1.000 656 T CB 1.238 70.146 68.868 0.067 0.000 1.103 656 T HN 0.899 nan 8.240 nan 0.000 0.486 657 N N 2.133 120.914 118.700 0.134 0.000 2.336 657 N HA 0.391 5.133 4.740 0.002 0.000 0.290 657 N C -1.810 173.798 175.510 0.164 0.000 1.058 657 N CA -0.529 52.600 53.050 0.132 0.000 0.865 657 N CB 1.660 40.215 38.487 0.114 0.000 1.581 657 N HN 0.462 nan 8.380 nan 0.000 0.480 658 D N 1.409 121.904 120.400 0.159 0.000 2.302 658 D HA 0.161 4.802 4.640 0.002 0.000 0.248 658 D C -0.940 175.489 176.300 0.215 0.000 1.094 658 D CA 0.620 54.718 54.000 0.163 0.000 0.897 658 D CB 0.657 41.533 40.800 0.127 0.000 1.200 658 D HN 0.442 nan 8.370 nan 0.000 0.429 659 Y N 1.397 121.724 120.300 0.044 0.000 2.541 659 Y HA 0.395 4.947 4.550 0.002 0.000 0.350 659 Y C 0.732 176.636 175.900 0.007 0.000 1.075 659 Y CA 0.139 58.254 58.100 0.025 0.000 1.302 659 Y CB 0.496 38.972 38.460 0.028 0.000 1.094 659 Y HN 0.656 nan 8.280 nan 0.000 0.579 660 G N 3.580 112.305 108.800 -0.124 0.000 2.583 660 G HA2 -0.439 3.522 3.960 0.002 0.000 0.292 660 G HA3 -0.439 3.522 3.960 0.002 0.000 0.292 660 G C 1.053 175.932 174.900 -0.036 0.000 1.203 660 G CA 0.635 45.671 45.100 -0.106 0.000 0.987 660 G HN 0.654 nan 8.290 nan 0.000 0.554 661 K N 0.988 121.354 120.400 -0.058 0.000 2.217 661 K HA 0.203 4.524 4.320 0.002 0.000 0.202 661 K C 1.675 178.256 176.600 -0.033 0.000 1.051 661 K CA 1.404 57.630 56.287 -0.101 0.000 0.952 661 K CB -0.571 31.850 32.500 -0.133 0.000 0.736 661 K HN 0.789 nan 8.250 nan 0.000 0.453 662 G N -0.052 108.771 108.800 0.040 0.000 2.642 662 G HA2 0.509 4.471 3.960 0.002 0.000 0.291 662 G HA3 0.509 4.471 3.960 0.002 0.000 0.291 662 G C -1.002 173.983 174.900 0.141 0.000 1.345 662 G CA -0.667 44.476 45.100 0.071 0.000 1.043 662 G HN 0.151 nan 8.290 nan 0.000 0.528 663 R N -1.987 118.559 120.500 0.076 0.000 2.740 663 R HA 0.569 4.910 4.340 0.002 0.000 0.273 663 R C -0.582 175.782 176.300 0.106 0.000 0.998 663 R CA -0.698 55.454 56.100 0.086 0.000 0.900 663 R CB 2.393 32.681 30.300 -0.019 0.000 1.223 663 R HN 0.773 nan 8.270 nan 0.000 0.466 664 G N 0.578 109.454 108.800 0.126 0.000 2.453 664 G HA2 0.618 4.579 3.960 0.002 0.000 0.323 664 G HA3 0.618 4.579 3.960 0.002 0.000 0.323 664 G C -1.296 173.692 174.900 0.148 0.000 1.198 664 G CA -0.427 44.766 45.100 0.154 0.000 0.959 664 G HN 0.263 nan 8.290 nan 0.000 0.482 665 V N 1.123 121.119 119.914 0.136 0.000 2.709 665 V HA 0.416 4.538 4.120 0.002 0.000 0.308 665 V C -1.463 174.690 176.094 0.099 0.000 1.062 665 V CA -0.853 61.508 62.300 0.102 0.000 0.901 665 V CB 1.806 33.672 31.823 0.071 0.000 1.003 665 V HN 0.754 nan 8.190 nan 0.000 0.425 666 Y N 5.502 125.794 120.300 -0.013 0.000 2.352 666 Y HA 0.787 5.339 4.550 0.002 0.000 0.339 666 Y C -0.578 175.294 175.900 -0.047 0.000 0.992 666 Y CA -1.062 57.019 58.100 -0.032 0.000 1.100 666 Y CB 1.396 39.848 38.460 -0.014 0.000 1.192 666 Y HN 0.540 nan 8.280 nan 0.000 0.458 667 I N 5.498 125.516 120.570 -0.920 0.000 2.499 667 I HA 0.199 4.370 4.170 0.002 0.000 0.288 667 I C 0.684 176.217 176.117 -0.973 0.000 1.048 667 I CA -0.553 60.326 61.300 -0.702 0.000 1.062 667 I CB 2.371 40.214 38.000 -0.263 0.000 1.238 667 I HN 0.753 nan 8.210 nan 0.000 0.426 668 S N 3.479 118.728 115.700 -0.753 0.000 2.406 668 S HA 0.190 4.661 4.470 0.002 0.000 0.228 668 S C 0.828 175.306 174.600 -0.203 0.000 1.020 668 S CA 0.526 58.498 58.200 -0.380 0.000 0.965 668 S CB 0.109 63.234 63.200 -0.125 0.000 0.798 668 S HN 0.900 nan 8.310 nan 0.000 0.488 669 G N -0.302 108.403 108.800 -0.159 0.000 2.547 669 G HA2 0.559 4.520 3.960 0.002 0.000 0.291 669 G HA3 0.559 4.520 3.960 0.002 0.000 0.291 669 G C -2.093 172.734 174.900 -0.123 0.000 1.471 669 G CA -0.825 44.127 45.100 -0.246 0.000 0.798 669 G HN 0.452 nan 8.290 nan 0.000 0.504 670 L N 1.143 122.221 121.223 -0.242 0.000 2.440 670 L HA 0.434 4.776 4.340 0.002 0.000 0.261 670 L C -2.570 174.210 176.870 -0.151 0.000 1.382 670 L CA -1.079 53.670 54.840 -0.151 0.000 0.871 670 L CB 1.923 43.925 42.059 -0.095 0.000 1.052 670 L HN 0.277 nan 8.230 nan 0.000 0.509 671 P HA -0.034 nan 4.420 nan 0.000 0.267 671 P C -1.216 176.115 177.300 0.051 0.000 1.200 671 P CA 0.230 63.332 63.100 0.004 0.000 0.772 671 P CB 0.171 31.942 31.700 0.119 0.000 0.855 672 Y N 3.305 123.629 120.300 0.040 0.000 2.526 672 Y HA 0.337 4.888 4.550 0.002 0.000 0.330 672 Y C 0.325 176.229 175.900 0.006 0.000 1.156 672 Y CA 0.806 58.914 58.100 0.014 0.000 1.419 672 Y CB 0.214 38.693 38.460 0.031 0.000 1.250 672 Y HN 0.524 nan 8.280 nan 0.000 0.540 673 S N 3.231 118.356 115.700 -0.959 0.000 2.615 673 S HA 0.678 5.149 4.470 0.002 0.000 0.269 673 S C 0.280 174.378 174.600 -0.837 0.000 1.161 673 S CA -0.611 57.055 58.200 -0.889 0.000 0.817 673 S CB 0.844 63.815 63.200 -0.381 0.000 1.131 673 S HN 0.976 nan 8.310 nan 0.000 0.467 674 A N 1.181 123.703 122.820 -0.497 0.000 1.883 674 A HA 0.203 4.524 4.320 0.002 0.000 0.217 674 A C 2.349 179.812 177.584 -0.202 0.000 1.186 674 A CA 2.395 54.275 52.037 -0.262 0.000 0.624 674 A CB -1.716 17.202 19.000 -0.136 0.000 0.822 674 A HN 1.669 nan 8.150 nan 0.000 0.444 675 A N 0.027 122.725 122.820 -0.202 0.000 1.902 675 A HA -0.204 4.118 4.320 0.002 0.000 0.217 675 A C 1.897 179.377 177.584 -0.174 0.000 1.181 675 A CA 1.924 53.860 52.037 -0.167 0.000 0.623 675 A CB -0.616 18.282 19.000 -0.170 0.000 0.818 675 A HN 0.544 nan 8.150 nan 0.000 0.443 676 N N 0.139 118.709 118.700 -0.217 0.000 2.331 676 N HA 0.014 4.755 4.740 0.002 0.000 0.180 676 N C 1.735 177.185 175.510 -0.099 0.000 1.019 676 N CA 1.272 54.213 53.050 -0.182 0.000 0.881 676 N CB -0.467 37.900 38.487 -0.200 0.000 0.972 676 N HN 0.470 nan 8.380 nan 0.000 0.435 677 A N 0.854 123.618 122.820 -0.092 0.000 1.929 677 A HA -0.071 4.251 4.320 0.002 0.000 0.216 677 A C 2.264 179.870 177.584 0.037 0.000 1.176 677 A CA 1.168 53.223 52.037 0.030 0.000 0.628 677 A CB -0.290 18.775 19.000 0.108 0.000 0.816 677 A HN 0.098 nan 8.150 nan 0.000 0.444 678 R N -0.205 120.291 120.500 -0.006 0.000 2.081 678 R HA -0.071 4.271 4.340 0.002 0.000 0.235 678 R C 1.857 178.159 176.300 0.005 0.000 1.131 678 R CA 1.716 57.825 56.100 0.015 0.000 0.960 678 R CB -1.086 29.196 30.300 -0.029 0.000 0.856 678 R HN 0.421 nan 8.270 nan 0.000 0.436 679 L N 0.077 121.274 121.223 -0.042 0.000 2.012 679 L HA -0.087 4.254 4.340 0.002 0.000 0.210 679 L C 2.101 178.982 176.870 0.018 0.000 1.073 679 L CA 1.719 56.532 54.840 -0.044 0.000 0.748 679 L CB -0.753 41.251 42.059 -0.092 0.000 0.891 679 L HN 0.354 nan 8.230 nan 0.000 0.431 680 L N -0.314 120.925 121.223 0.026 0.000 2.046 680 L HA -0.232 4.110 4.340 0.002 0.000 0.208 680 L C 2.477 179.420 176.870 0.123 0.000 1.077 680 L CA 2.151 57.025 54.840 0.057 0.000 0.747 680 L CB -0.760 41.324 42.059 0.042 0.000 0.896 680 L HN 0.530 nan 8.230 nan 0.000 0.432 681 E N -0.594 119.704 120.200 0.164 0.000 2.058 681 E HA -0.276 4.075 4.350 0.002 0.000 0.194 681 E C 2.335 179.206 176.600 0.451 0.000 0.997 681 E CA 1.382 57.962 56.400 0.300 0.000 0.801 681 E CB -0.088 29.802 29.700 0.316 0.000 0.746 681 E HN 0.487 nan 8.360 nan 0.000 0.450 682 R N -0.088 120.587 120.500 0.291 0.000 2.096 682 R HA -0.107 4.235 4.340 0.002 0.000 0.235 682 R C 2.479 179.042 176.300 0.438 0.000 1.127 682 R CA 1.203 57.477 56.100 0.290 0.000 0.968 682 R CB -0.269 29.951 30.300 -0.133 0.000 0.861 682 R HN 0.122 nan 8.270 nan 0.000 0.440 683 V N 1.725 121.796 119.914 0.261 0.000 2.282 683 V HA -0.274 3.847 4.120 0.002 0.000 0.249 683 V C 2.290 178.532 176.094 0.248 0.000 1.057 683 V CA 1.807 64.246 62.300 0.231 0.000 1.032 683 V CB -0.421 31.468 31.823 0.110 0.000 0.645 683 V HN 0.305 nan 8.190 nan 0.000 0.447 684 L N -1.732 119.611 121.223 0.201 0.000 2.046 684 L HA -0.163 4.178 4.340 0.002 0.000 0.208 684 L C 2.408 179.307 176.870 0.049 0.000 1.077 684 L CA 1.709 56.592 54.840 0.071 0.000 0.747 684 L CB -0.647 41.395 42.059 -0.027 0.000 0.896 684 L HN 0.248 nan 8.230 nan 0.000 0.432 685 F N -1.242 118.839 119.950 0.218 0.000 2.163 685 F HA -0.224 4.305 4.527 0.002 0.000 0.297 685 F C 2.556 178.381 175.800 0.041 0.000 1.094 685 F CA 1.442 59.557 58.000 0.191 0.000 1.290 685 F CB -0.604 38.624 39.000 0.379 0.000 1.017 685 F HN -0.062 nan 8.300 nan 0.000 0.483 686 Y N 0.504 120.897 120.300 0.155 0.000 2.145 686 Y HA -0.185 4.366 4.550 0.002 0.000 0.286 686 Y C 2.349 178.166 175.900 -0.138 0.000 1.145 686 Y CA 1.429 59.458 58.100 -0.119 0.000 1.148 686 Y CB -0.572 37.919 38.460 0.052 0.000 0.981 686 Y HN -0.025 nan 8.280 nan 0.000 0.507 687 A N -0.596 122.266 122.820 0.070 0.000 1.969 687 A HA -0.122 4.199 4.320 0.002 0.000 0.218 687 A C 2.141 179.637 177.584 -0.146 0.000 1.169 687 A CA 1.558 53.579 52.037 -0.026 0.000 0.635 687 A CB -1.082 17.968 19.000 0.084 0.000 0.810 687 A HN 0.528 nan 8.150 nan 0.000 0.445 688 S N -1.794 113.846 115.700 -0.101 0.000 2.671 688 S HA 0.070 4.541 4.470 0.002 0.000 0.220 688 S C 0.403 174.984 174.600 -0.031 0.000 0.951 688 S CA 0.235 58.392 58.200 -0.072 0.000 0.932 688 S CB -0.679 62.485 63.200 -0.061 0.000 0.777 688 S HN 0.573 nan 8.310 nan 0.000 0.508 689 H N 0.682 119.629 119.070 -0.205 0.000 2.713 689 H HA -0.143 4.414 4.556 0.002 0.000 0.311 689 H C -0.395 174.852 175.328 -0.135 0.000 1.175 689 H CA 1.064 56.974 56.048 -0.231 0.000 1.143 689 H CB -2.083 27.566 29.762 -0.188 0.000 1.434 689 H HN 0.692 nan 8.280 nan 0.000 0.418 690 N N -0.042 118.658 118.700 -0.001 0.000 2.338 690 N HA 0.037 4.778 4.740 0.002 0.000 0.251 690 N C 1.017 176.641 175.510 0.189 0.000 1.199 690 N CA -0.192 52.937 53.050 0.132 0.000 0.879 690 N CB 0.580 39.183 38.487 0.194 0.000 1.159 690 N HN 0.294 nan 8.380 nan 0.000 0.514 691 E N 0.694 120.841 120.200 -0.089 0.000 2.097 691 E HA -0.246 4.105 4.350 0.002 0.000 0.196 691 E C 0.916 177.529 176.600 0.022 0.000 1.000 691 E CA 1.606 57.850 56.400 -0.260 0.000 0.804 691 E CB -0.068 29.260 29.700 -0.620 0.000 0.740 691 E HN 0.535 nan 8.360 nan 0.000 0.454 692 D N -0.123 120.295 120.400 0.029 0.000 2.349 692 D HA -0.073 4.568 4.640 0.002 0.000 0.224 692 D C 1.352 177.699 176.300 0.078 0.000 1.029 692 D CA 0.449 54.483 54.000 0.056 0.000 0.879 692 D CB -0.006 40.809 40.800 0.025 0.000 0.906 692 D HN 0.030 nan 8.370 nan 0.000 0.528 693 K N -0.896 119.593 120.400 0.148 0.000 2.379 693 K HA -0.041 4.280 4.320 0.002 0.000 0.194 693 K C 1.239 177.878 176.600 0.064 0.000 1.031 693 K CA -0.111 56.283 56.287 0.179 0.000 1.037 693 K CB -0.067 32.623 32.500 0.317 0.000 0.824 693 K HN 0.172 nan 8.250 nan 0.000 0.516 694 Y N 0.798 120.970 120.300 -0.214 0.000 2.145 694 Y HA -0.230 4.322 4.550 0.002 0.000 0.286 694 Y C 1.921 177.557 175.900 -0.441 0.000 1.145 694 Y CA 1.841 59.488 58.100 -0.756 0.000 1.148 694 Y CB -0.271 37.958 38.460 -0.386 0.000 0.981 694 Y HN 0.078 nan 8.280 nan 0.000 0.507 695 A N 1.175 123.844 122.820 -0.252 0.000 1.930 695 A HA 0.128 4.449 4.320 0.002 0.000 0.217 695 A C 1.591 178.928 177.584 -0.412 0.000 1.175 695 A CA 0.734 52.585 52.037 -0.309 0.000 0.627 695 A CB -1.505 17.430 19.000 -0.108 0.000 0.815 695 A HN 0.536 nan 8.150 nan 0.000 0.443 696 A N -1.642 120.952 122.820 -0.377 0.000 2.524 696 A HA 0.355 4.676 4.320 0.002 0.000 0.250 696 A C 0.090 177.378 177.584 -0.494 0.000 1.078 696 A CA 0.186 51.879 52.037 -0.574 0.000 0.761 696 A CB -1.173 17.546 19.000 -0.467 0.000 1.012 696 A HN 0.948 nan 8.150 nan 0.000 0.500 697 W N 0.932 122.043 121.300 -0.314 0.000 5.721 697 W HA -0.197 4.464 4.660 0.002 0.000 0.406 697 W C 0.648 176.984 176.519 -0.304 0.000 1.576 697 W CA 0.539 57.683 57.345 -0.336 0.000 0.977 697 W CB -2.113 27.183 29.460 -0.275 0.000 2.771 697 W HN 1.117 nan 8.180 nan 0.000 1.435 698 S N -1.252 114.310 115.700 -0.231 0.000 2.599 698 S HA 0.804 5.276 4.470 0.002 0.000 0.294 698 S C -0.447 174.046 174.600 -0.179 0.000 1.094 698 S CA -0.515 57.521 58.200 -0.273 0.000 0.931 698 S CB 2.236 65.103 63.200 -0.556 0.000 1.093 698 S HN 0.396 nan 8.310 nan 0.000 0.488 699 S N 0.952 116.574 115.700 -0.130 0.000 2.442 699 S HA 0.403 4.875 4.470 0.002 0.000 0.297 699 S C 1.326 175.899 174.600 -0.045 0.000 1.131 699 S CA -0.097 58.060 58.200 -0.070 0.000 1.092 699 S CB 0.720 63.885 63.200 -0.060 0.000 0.998 699 S HN 1.096 nan 8.310 nan 0.000 0.478 700 S N 4.364 120.052 115.700 -0.019 0.000 2.370 700 S HA -0.147 4.325 4.470 0.002 0.000 0.226 700 S C 0.847 175.445 174.600 -0.003 0.000 1.033 700 S CA 0.875 59.074 58.200 -0.003 0.000 1.011 700 S CB -0.702 62.500 63.200 0.005 0.000 0.852 700 S HN 0.752 nan 8.310 nan 0.000 0.457 701 N N 2.942 121.640 118.700 -0.003 0.000 2.430 701 N HA 0.303 5.044 4.740 0.002 0.000 0.265 701 N C -2.361 173.140 175.510 -0.016 0.000 1.100 701 N CA -2.334 50.712 53.050 -0.008 0.000 0.961 701 N CB 1.410 39.898 38.487 0.003 0.000 1.075 701 N HN -0.000 nan 8.380 nan 0.000 0.478 702 P HA -0.026 nan 4.420 nan 0.000 0.230 702 P C 0.366 177.650 177.300 -0.027 0.000 1.158 702 P CA 0.850 63.934 63.100 -0.026 0.000 0.769 702 P CB 0.387 32.061 31.700 -0.044 0.000 0.807 703 E N -1.341 118.844 120.200 -0.025 0.000 2.482 703 E HA -0.007 4.344 4.350 0.002 0.000 0.196 703 E C 0.362 176.953 176.600 -0.016 0.000 1.047 703 E CA 0.424 56.812 56.400 -0.020 0.000 0.869 703 E CB -0.349 29.342 29.700 -0.014 0.000 0.836 703 E HN 0.284 nan 8.360 nan 0.000 0.520 704 C N 0.315 119.601 119.300 -0.023 0.000 2.667 704 C HA 0.577 5.038 4.460 0.002 0.000 0.323 704 C C 0.318 175.280 174.990 -0.046 0.000 1.214 704 C CA -0.876 58.118 59.018 -0.041 0.000 1.721 704 C CB 1.880 29.587 27.740 -0.054 0.000 2.275 704 C HN 0.166 nan 8.230 nan 0.000 0.491 705 E N -0.097 120.064 120.200 -0.065 0.000 2.369 705 E HA 0.695 5.046 4.350 0.002 0.000 0.270 705 E C -1.597 174.952 176.600 -0.086 0.000 0.909 705 E CA -0.544 55.821 56.400 -0.060 0.000 0.775 705 E CB 2.308 31.984 29.700 -0.040 0.000 1.270 705 E HN 0.396 nan 8.360 nan 0.000 0.445 706 V N 0.975 120.849 119.914 -0.066 0.000 2.604 706 V HA 0.731 4.852 4.120 0.002 0.000 0.305 706 V C -0.820 175.237 176.094 -0.060 0.000 1.043 706 V CA -0.656 61.615 62.300 -0.048 0.000 0.888 706 V CB 1.607 33.424 31.823 -0.010 0.000 0.995 706 V HN 0.744 nan 8.190 nan 0.000 0.429 707 A N 2.959 125.728 122.820 -0.085 0.000 2.335 707 A HA 0.649 4.970 4.320 0.002 0.000 0.304 707 A C -0.811 176.567 177.584 -0.343 0.000 1.118 707 A CA -0.510 51.381 52.037 -0.244 0.000 0.757 707 A CB 0.707 19.584 19.000 -0.205 0.000 1.188 707 A HN 0.994 nan 8.150 nan 0.000 0.460 708 H N 2.366 121.030 119.070 -0.677 0.000 2.459 708 H HA 0.586 5.143 4.556 0.002 0.000 0.332 708 H C -1.741 173.066 175.328 -0.868 0.000 1.094 708 H CA -0.644 54.953 56.048 -0.751 0.000 1.224 708 H CB 0.767 29.814 29.762 -1.191 0.000 1.449 708 H HN 0.509 nan 8.280 nan 0.000 0.484 709 F N 7.281 126.976 119.950 -0.424 0.000 2.449 709 F HA 0.233 4.761 4.527 0.002 0.000 0.344 709 F C -1.673 173.882 175.800 -0.409 0.000 1.180 709 F CA -2.135 55.672 58.000 -0.323 0.000 1.209 709 F CB 1.219 40.187 39.000 -0.054 0.000 1.440 709 F HN 0.520 nan 8.300 nan 0.000 0.526 710 P HA -0.261 nan 4.420 nan 0.000 0.216 710 P C 1.188 178.540 177.300 0.086 0.000 1.153 710 P CA 1.852 64.823 63.100 -0.214 0.000 0.858 710 P CB 0.191 31.742 31.700 -0.249 0.000 0.789 711 E N -0.067 120.157 120.200 0.040 0.000 2.358 711 E HA -0.154 4.197 4.350 0.002 0.000 0.195 711 E C 1.371 178.004 176.600 0.055 0.000 1.010 711 E CA 0.654 57.094 56.400 0.067 0.000 0.856 711 E CB -0.469 29.258 29.700 0.046 0.000 0.795 711 E HN 0.184 nan 8.360 nan 0.000 0.504 712 Q N 0.246 120.084 119.800 0.065 0.000 2.319 712 Q HA 0.218 4.559 4.340 0.002 0.000 0.202 712 Q C 0.723 176.762 176.000 0.065 0.000 0.896 712 Q CA 0.627 56.450 55.803 0.034 0.000 0.942 712 Q CB 1.033 29.759 28.738 -0.020 0.000 1.083 712 Q HN 0.441 nan 8.270 nan 0.000 0.510 713 G N 1.002 109.864 108.800 0.102 0.000 2.366 713 G HA2 -0.267 3.695 3.960 0.002 0.000 0.299 713 G HA3 -0.267 3.695 3.960 0.002 0.000 0.299 713 G C -0.479 174.539 174.900 0.197 0.000 1.020 713 G CA 0.395 45.578 45.100 0.139 0.000 1.026 713 G HN 0.268 nan 8.290 nan 0.000 0.512 714 L N -1.004 120.380 121.223 0.269 0.000 2.393 714 L HA 0.794 5.136 4.340 0.002 0.000 0.260 714 L C -0.020 177.172 176.870 0.536 0.000 1.002 714 L CA -1.691 53.371 54.840 0.370 0.000 0.818 714 L CB 2.191 44.468 42.059 0.364 0.000 1.369 714 L HN 0.369 nan 8.230 nan 0.000 0.412 715 Y N 0.104 120.640 120.300 0.392 0.000 2.605 715 Y HA 0.828 5.379 4.550 0.002 0.000 0.343 715 Y C -0.455 175.526 175.900 0.135 0.000 1.036 715 Y CA -1.446 56.821 58.100 0.280 0.000 1.065 715 Y CB 1.410 39.963 38.460 0.156 0.000 1.288 715 Y HN 0.706 nan 8.280 nan 0.000 0.481 716 C N 1.251 120.496 119.300 -0.092 0.000 2.848 716 C HA 0.921 5.382 4.460 0.002 0.000 0.317 716 C C -0.889 173.913 174.990 -0.312 0.000 1.260 716 C CA -1.073 57.556 59.018 -0.648 0.000 1.656 716 C CB 1.239 27.925 27.740 -1.757 0.000 2.174 716 C HN 1.104 nan 8.230 nan 0.000 0.479 717 V N 2.836 122.476 119.914 -0.457 0.000 2.709 717 V HA 0.782 4.903 4.120 0.002 0.000 0.308 717 V C -0.547 175.350 176.094 -0.328 0.000 1.062 717 V CA -0.556 61.524 62.300 -0.367 0.000 0.901 717 V CB 1.655 33.142 31.823 -0.559 0.000 1.003 717 V HN 1.055 nan 8.190 nan 0.000 0.425 718 I N 3.146 123.586 120.570 -0.217 0.000 2.569 718 I HA 0.654 4.825 4.170 0.002 0.000 0.296 718 I C -0.710 175.351 176.117 -0.093 0.000 1.028 718 I CA -0.753 60.459 61.300 -0.147 0.000 1.082 718 I CB 2.108 40.027 38.000 -0.135 0.000 1.264 718 I HN 0.574 nan 8.210 nan 0.000 0.429 719 N N 3.972 122.643 118.700 -0.049 0.000 2.439 719 N HA 0.266 5.007 4.740 0.002 0.000 0.249 719 N C -0.324 175.181 175.510 -0.008 0.000 1.003 719 N CA -0.277 52.763 53.050 -0.017 0.000 0.942 719 N CB 0.629 39.124 38.487 0.013 0.000 1.115 719 N HN 0.755 nan 8.380 nan 0.000 0.505 720 N N 1.029 119.723 118.700 -0.010 0.000 2.449 720 N HA -0.020 4.721 4.740 0.002 0.000 0.191 720 N C -0.180 175.345 175.510 0.026 0.000 1.161 720 N CA 0.173 53.224 53.050 0.001 0.000 0.863 720 N CB 0.330 38.826 38.487 0.016 0.000 0.980 720 N HN 0.648 nan 8.380 nan 0.000 0.458 721 T N -2.505 112.066 114.554 0.028 0.000 2.926 721 T HA 0.197 4.548 4.350 0.002 0.000 0.289 721 T C 0.108 174.836 174.700 0.046 0.000 1.054 721 T CA -0.921 61.201 62.100 0.036 0.000 1.015 721 T CB 1.696 70.578 68.868 0.023 0.000 1.167 721 T HN -0.029 nan 8.240 nan 0.000 0.526 722 D N -0.447 119.981 120.400 0.048 0.000 2.325 722 D HA 0.120 4.761 4.640 0.002 0.000 0.225 722 D C 0.151 176.473 176.300 0.037 0.000 1.096 722 D CA -0.105 53.925 54.000 0.050 0.000 0.844 722 D CB 0.067 40.900 40.800 0.054 0.000 0.925 722 D HN 0.331 nan 8.370 nan 0.000 0.513 723 Q N 0.708 120.527 119.800 0.032 0.000 2.301 723 Q HA 0.435 4.777 4.340 0.002 0.000 0.267 723 Q C -2.598 173.420 176.000 0.029 0.000 1.035 723 Q CA -2.363 53.456 55.803 0.027 0.000 0.856 723 Q CB 1.475 30.225 28.738 0.020 0.000 1.337 723 Q HN 0.050 nan 8.270 nan 0.000 0.450 724 P HA 0.055 nan 4.420 nan 0.000 0.269 724 P C -0.717 176.603 177.300 0.033 0.000 1.209 724 P CA 0.077 63.198 63.100 0.035 0.000 0.776 724 P CB 0.607 32.327 31.700 0.033 0.000 0.876 725 Q N 1.777 121.601 119.800 0.040 0.000 2.274 725 Q HA 0.320 4.661 4.340 0.002 0.000 0.268 725 Q C -0.532 175.501 176.000 0.056 0.000 1.015 725 Q CA -0.502 55.323 55.803 0.037 0.000 0.775 725 Q CB 2.593 31.346 28.738 0.025 0.000 1.256 725 Q HN 0.392 nan 8.270 nan 0.000 0.442 726 K N 1.123 121.555 120.400 0.053 0.000 2.172 726 K HA 0.659 4.980 4.320 0.002 0.000 0.276 726 K C -0.180 176.465 176.600 0.075 0.000 1.013 726 K CA -0.310 56.022 56.287 0.075 0.000 0.913 726 K CB 1.624 34.158 32.500 0.056 0.000 1.055 726 K HN 0.447 nan 8.250 nan 0.000 0.461 727 T N 0.637 115.264 114.554 0.122 0.000 2.894 727 T HA 0.280 4.632 4.350 0.002 0.000 0.309 727 T C -1.342 173.469 174.700 0.186 0.000 1.208 727 T CA -0.509 61.659 62.100 0.113 0.000 1.016 727 T CB 1.670 70.578 68.868 0.067 0.000 1.192 727 T HN 0.435 nan 8.240 nan 0.000 0.491 728 T N 2.704 117.335 114.554 0.129 0.000 2.770 728 T HA 0.558 4.909 4.350 0.002 0.000 0.283 728 T C -0.304 174.468 174.700 0.120 0.000 0.988 728 T CA -0.414 61.770 62.100 0.140 0.000 0.957 728 T CB 1.055 69.958 68.868 0.059 0.000 0.930 728 T HN 0.453 nan 8.240 nan 0.000 0.443 729 V N 3.980 124.023 119.914 0.214 0.000 2.509 729 V HA 0.367 4.488 4.120 0.002 0.000 0.284 729 V C 0.617 176.682 176.094 -0.049 0.000 1.047 729 V CA -0.461 61.886 62.300 0.078 0.000 0.952 729 V CB 1.594 33.515 31.823 0.163 0.000 0.988 729 V HN 0.910 nan 8.190 nan 0.000 0.469 730 T N 6.530 120.970 114.554 -0.190 0.000 2.767 730 T HA 0.607 4.959 4.350 0.002 0.000 0.284 730 T C -0.222 174.139 174.700 -0.565 0.000 0.973 730 T CA -0.259 61.667 62.100 -0.290 0.000 0.996 730 T CB 0.919 69.637 68.868 -0.251 0.000 0.927 730 T HN 0.245 nan 8.240 nan 0.000 0.456 731 L N 1.874 122.710 121.223 -0.646 0.000 2.448 731 L HA 0.558 4.899 4.340 0.002 0.000 0.258 731 L C 1.875 178.063 176.870 -1.136 0.000 1.104 731 L CA -0.264 53.852 54.840 -1.207 0.000 0.800 731 L CB 0.107 41.725 42.059 -0.735 0.000 1.241 731 L HN 0.720 nan 8.230 nan 0.000 0.472 732 A N 0.295 122.260 122.820 -1.425 0.000 1.972 732 A HA -0.175 4.146 4.320 0.002 0.000 0.219 732 A C 1.412 178.806 177.584 -0.316 0.000 1.169 732 A CA 1.661 53.290 52.037 -0.680 0.000 0.635 732 A CB -0.849 18.033 19.000 -0.196 0.000 0.810 732 A HN 0.899 nan 8.150 nan 0.000 0.446 733 D N -1.914 118.334 120.400 -0.253 0.000 2.324 733 D HA 0.269 4.910 4.640 0.002 0.000 0.235 733 D C 1.159 177.379 176.300 -0.134 0.000 1.095 733 D CA 0.829 54.756 54.000 -0.122 0.000 0.871 733 D CB -0.758 40.012 40.800 -0.050 0.000 0.906 733 D HN 0.733 nan 8.370 nan 0.000 0.522 734 G N 0.178 108.857 108.800 -0.201 0.000 2.184 734 G HA2 -0.314 3.647 3.960 0.002 0.000 0.264 734 G HA3 -0.314 3.647 3.960 0.002 0.000 0.264 734 G C 0.586 175.408 174.900 -0.132 0.000 0.975 734 G CA 0.809 45.814 45.100 -0.158 0.000 0.642 734 G HN 0.820 nan 8.290 nan 0.000 0.536 735 T N -0.772 113.703 114.554 -0.132 0.000 2.828 735 T HA 0.628 4.980 4.350 0.002 0.000 0.290 735 T C 0.408 175.044 174.700 -0.108 0.000 1.019 735 T CA 0.824 62.870 62.100 -0.090 0.000 1.031 735 T CB 1.840 70.678 68.868 -0.050 0.000 1.001 735 T HN 1.465 nan 8.240 nan 0.000 0.531 736 T N -1.476 113.044 114.554 -0.056 0.000 2.906 736 T HA 0.670 5.021 4.350 0.002 0.000 0.295 736 T C -1.133 173.576 174.700 0.015 0.000 1.075 736 T CA -0.980 61.100 62.100 -0.033 0.000 1.005 736 T CB 2.135 70.985 68.868 -0.030 0.000 1.136 736 T HN 0.947 nan 8.240 nan 0.000 0.498 737 E N 0.547 120.792 120.200 0.075 0.000 2.292 737 E HA 0.444 4.795 4.350 0.002 0.000 0.272 737 E C -1.562 175.029 176.600 -0.015 0.000 0.881 737 E CA -0.741 55.663 56.400 0.007 0.000 0.754 737 E CB 1.481 31.195 29.700 0.023 0.000 1.201 737 E HN 0.631 nan 8.360 nan 0.000 0.425 738 D N 2.971 123.273 120.400 -0.164 0.000 2.210 738 D HA 0.352 4.993 4.640 0.002 0.000 0.249 738 D C -0.933 175.182 176.300 -0.310 0.000 1.062 738 D CA 0.174 54.124 54.000 -0.083 0.000 0.891 738 D CB 0.648 41.422 40.800 -0.044 0.000 1.186 738 D HN 0.249 nan 8.370 nan 0.000 0.432 739 F N 0.363 120.339 119.950 0.043 0.000 2.563 739 F HA 0.231 4.759 4.527 0.002 0.000 0.316 739 F C 0.214 176.033 175.800 0.032 0.000 1.076 739 F CA -0.988 57.038 58.000 0.043 0.000 0.921 739 F CB 1.893 40.923 39.000 0.051 0.000 1.209 739 F HN 0.007 nan 8.300 nan 0.000 0.462 740 D N 3.593 124.110 120.400 0.195 0.000 2.438 740 D HA 0.336 4.977 4.640 0.002 0.000 0.257 740 D C -1.104 175.279 176.300 0.138 0.000 1.148 740 D CA -0.129 53.949 54.000 0.130 0.000 0.902 740 D CB 0.551 41.397 40.800 0.076 0.000 1.062 740 D HN 0.392 nan 8.370 nan 0.000 0.518 741 L N 4.860 126.162 121.223 0.132 0.000 2.305 741 L HA 0.423 4.764 4.340 0.002 0.000 0.281 741 L C -1.758 175.160 176.870 0.079 0.000 1.085 741 L CA -1.625 53.279 54.840 0.107 0.000 0.813 741 L CB 1.245 43.346 42.059 0.070 0.000 1.157 741 L HN 0.226 nan 8.230 nan 0.000 0.436 742 P HA -0.026 nan 4.420 nan 0.000 0.274 742 P C -0.628 176.708 177.300 0.060 0.000 1.237 742 P CA -0.467 62.671 63.100 0.064 0.000 0.793 742 P CB 0.469 32.208 31.700 0.065 0.000 0.977 743 D N 1.473 121.902 120.400 0.048 0.000 4.262 743 D HA -0.189 4.452 4.640 0.002 0.000 0.186 743 D C 0.062 176.403 176.300 0.068 0.000 1.090 743 D CA 1.376 55.404 54.000 0.047 0.000 0.711 743 D CB -0.535 40.284 40.800 0.031 0.000 1.194 743 D HN 0.381 nan 8.370 nan 0.000 0.627 744 S N 0.741 116.490 115.700 0.082 0.000 3.358 744 S HA -0.165 4.306 4.470 0.002 0.000 0.309 744 S C 0.884 175.581 174.600 0.161 0.000 1.247 744 S CA 0.804 59.079 58.200 0.125 0.000 0.961 744 S CB -1.703 61.605 63.200 0.180 0.000 1.074 744 S HN 0.886 nan 8.310 nan 0.000 0.625 745 G N 0.020 108.891 108.800 0.118 0.000 2.621 745 G HA2 0.659 4.621 3.960 0.002 0.000 0.271 745 G HA3 0.659 4.621 3.960 0.002 0.000 0.271 745 G C -0.402 174.550 174.900 0.087 0.000 1.236 745 G CA -0.288 44.893 45.100 0.135 0.000 0.958 745 G HN 0.605 nan 8.290 nan 0.000 0.512 746 I N -0.978 119.643 120.570 0.085 0.000 2.752 746 I HA 0.663 4.835 4.170 0.002 0.000 0.295 746 I C -0.783 175.319 176.117 -0.025 0.000 1.219 746 I CA -1.016 60.267 61.300 -0.028 0.000 1.030 746 I CB 2.114 40.122 38.000 0.013 0.000 1.259 746 I HN 0.733 nan 8.210 nan 0.000 0.423 747 A N 5.704 128.410 122.820 -0.189 0.000 2.393 747 A HA 0.744 5.065 4.320 0.002 0.000 0.306 747 A C -2.288 175.136 177.584 -0.266 0.000 1.050 747 A CA -0.343 51.663 52.037 -0.052 0.000 0.724 747 A CB 0.908 19.977 19.000 0.115 0.000 1.248 747 A HN 0.704 nan 8.150 nan 0.000 0.424 748 W N 1.739 123.039 121.300 0.001 0.000 2.632 748 W HA 0.752 5.414 4.660 0.002 0.000 0.328 748 W C 0.250 176.701 176.519 -0.113 0.000 1.044 748 W CA -0.316 56.980 57.345 -0.082 0.000 1.225 748 W CB 1.705 31.137 29.460 -0.046 0.000 1.396 748 W HN 0.524 nan 8.180 nan 0.000 0.499 749 R N 1.309 121.757 120.500 -0.087 0.000 2.771 749 R HA 0.248 4.590 4.340 0.002 0.000 0.274 749 R C -0.368 175.924 176.300 -0.013 0.000 0.987 749 R CA -1.277 54.752 56.100 -0.119 0.000 0.908 749 R CB 1.712 31.831 30.300 -0.302 0.000 1.213 749 R HN 0.787 nan 8.270 nan 0.000 0.468 750 E N 0.936 121.201 120.200 0.108 0.000 2.398 750 E HA 0.498 4.849 4.350 0.002 0.000 0.263 750 E C -0.829 175.962 176.600 0.318 0.000 1.046 750 E CA -0.503 56.005 56.400 0.179 0.000 0.908 750 E CB 0.918 30.700 29.700 0.136 0.000 0.963 750 E HN 0.554 nan 8.360 nan 0.000 0.431 751 A N 2.971 125.994 122.820 0.339 0.000 2.515 751 A HA 0.413 4.735 4.320 0.002 0.000 0.296 751 A C -0.967 176.783 177.584 0.276 0.000 1.094 751 A CA -0.960 51.335 52.037 0.431 0.000 0.718 751 A CB 1.260 20.590 19.000 0.551 0.000 1.307 751 A HN 0.559 nan 8.150 nan 0.000 0.408 752 L N 1.447 122.821 121.223 0.252 0.000 2.578 752 L HA 0.077 4.418 4.340 0.002 0.000 0.279 752 L C 0.841 177.684 176.870 -0.046 0.000 1.227 752 L CA 0.878 55.760 54.840 0.069 0.000 0.900 752 L CB -0.134 41.937 42.059 0.020 0.000 1.144 752 L HN 0.882 nan 8.230 nan 0.000 0.496 753 E N 2.832 122.982 120.200 -0.083 0.000 2.313 753 E HA 0.215 4.566 4.350 0.002 0.000 0.276 753 E C -0.872 175.588 176.600 -0.233 0.000 1.031 753 E CA -0.372 55.985 56.400 -0.072 0.000 0.857 753 E CB 0.621 30.319 29.700 -0.003 0.000 1.040 753 E HN 0.606 nan 8.360 nan 0.000 0.408 754 H N 0.000 119.109 119.070 0.066 0.000 2.539 754 H HA 0.000 4.557 4.556 0.002 0.000 0.296 754 H CA 0.000 56.083 56.048 0.058 0.000 1.023 754 H CB 0.000 29.797 29.762 0.059 0.000 1.292 754 H HN 0.000 nan 8.280 nan 0.000 0.496