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 2zuu_1_B DATA FIRST_RESID 3 DATA SEQUENCE STGRFTLPSE ENFAEKTKEL AELWGADAIR NXXXXXXXXX XXXXGKKIYN 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 FFPDTXXXGN 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 DSGIAWR 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 0.000 174.585 174.600 -0.025 0.000 1.055 3 S CA 0.000 58.180 58.200 -0.034 0.000 1.107 3 S CB 0.000 63.173 63.200 -0.044 0.000 0.593 4 T N 2.457 116.999 114.554 -0.019 0.000 2.847 4 T HA 0.682 5.032 4.350 -0.000 0.000 0.291 4 T C 0.720 175.415 174.700 -0.009 0.000 0.998 4 T CA 1.187 63.279 62.100 -0.014 0.000 0.967 4 T CB 0.481 69.339 68.868 -0.016 0.000 0.954 4 T HN 1.754 nan 8.240 nan 0.000 0.441 5 G N 4.709 113.513 108.800 0.007 0.000 2.512 5 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.254 5 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.254 5 G C 0.102 175.021 174.900 0.032 0.000 1.199 5 G CA 0.131 45.242 45.100 0.019 0.000 0.941 5 G HN 1.206 nan 8.290 nan 0.000 0.569 6 R N -1.957 118.544 120.500 0.001 0.000 3.741 6 R HA -0.209 4.131 4.340 -0.000 0.000 0.292 6 R C -0.125 176.178 176.300 0.004 0.000 1.176 6 R CA 1.411 57.506 56.100 -0.009 0.000 0.794 6 R CB -1.723 28.583 30.300 0.010 0.000 1.213 6 R HN 1.213 nan 8.270 nan 0.000 0.494 7 F N -0.784 119.079 119.950 -0.144 0.000 2.574 7 F HA 0.362 4.888 4.527 -0.000 0.000 0.313 7 F C -0.523 175.205 175.800 -0.120 0.000 1.130 7 F CA -0.496 57.400 58.000 -0.175 0.000 0.936 7 F CB 2.085 40.998 39.000 -0.144 0.000 1.219 7 F HN -0.178 nan 8.300 nan 0.000 0.445 8 T N 7.156 121.158 114.554 -0.920 0.000 2.791 8 T HA 0.477 4.827 4.350 -0.000 0.000 0.288 8 T C -1.080 173.156 174.700 -0.773 0.000 0.999 8 T CA -0.410 61.265 62.100 -0.707 0.000 0.952 8 T CB 1.061 69.572 68.868 -0.595 0.000 0.938 8 T HN 0.642 nan 8.240 nan 0.000 0.444 9 L N 6.499 127.517 121.223 -0.342 0.000 2.322 9 L HA 0.649 4.989 4.340 -0.000 0.000 0.281 9 L C -2.448 174.387 176.870 -0.058 0.000 1.014 9 L CA -2.457 52.366 54.840 -0.028 0.000 0.815 9 L CB 1.981 44.214 42.059 0.291 0.000 1.247 9 L HN 0.310 nan 8.230 nan 0.000 0.421 10 P HA 0.179 nan 4.420 nan 0.000 0.277 10 P C -0.902 176.419 177.300 0.035 0.000 1.240 10 P CA -0.401 62.670 63.100 -0.049 0.000 0.798 10 P CB 1.450 33.074 31.700 -0.126 0.000 0.979 11 S N 1.207 116.925 115.700 0.030 0.000 2.624 11 S HA 0.328 4.798 4.470 -0.000 0.000 0.263 11 S C -0.035 174.627 174.600 0.104 0.000 1.287 11 S CA -0.224 58.020 58.200 0.072 0.000 0.990 11 S CB 0.541 63.780 63.200 0.065 0.000 0.950 11 S HN 0.498 nan 8.310 nan 0.000 0.561 12 E N -0.305 119.980 120.200 0.142 0.000 2.340 12 E HA 0.204 4.554 4.350 -0.000 0.000 0.273 12 E C 0.598 177.299 176.600 0.168 0.000 0.891 12 E CA -0.650 55.861 56.400 0.185 0.000 0.757 12 E CB 1.917 31.768 29.700 0.253 0.000 1.231 12 E HN 0.867 nan 8.360 nan 0.000 0.439 13 E N 2.285 122.590 120.200 0.175 0.000 2.095 13 E HA -0.259 4.090 4.350 -0.000 0.000 0.212 13 E C 0.432 177.105 176.600 0.122 0.000 1.044 13 E CA 1.823 58.307 56.400 0.140 0.000 0.857 13 E CB 0.312 30.096 29.700 0.140 0.000 0.764 13 E HN 0.391 nan 8.360 nan 0.000 0.462 14 N N -1.835 116.955 118.700 0.150 0.000 2.104 14 N HA -0.028 4.711 4.740 -0.000 0.000 0.227 14 N C 0.394 175.998 175.510 0.157 0.000 1.321 14 N CA -0.181 52.944 53.050 0.126 0.000 0.877 14 N CB 0.028 38.574 38.487 0.100 0.000 1.117 14 N HN 0.000 nan 8.380 nan 0.000 0.486 15 F N 2.995 122.968 119.950 0.038 0.000 2.678 15 F HA 0.050 4.577 4.527 -0.000 0.000 0.298 15 F C 1.673 177.482 175.800 0.015 0.000 1.337 15 F CA -0.112 57.904 58.000 0.026 0.000 1.460 15 F CB -0.500 38.525 39.000 0.041 0.000 1.106 15 F HN -0.000 nan 8.300 nan 0.000 0.562 16 A N -0.751 122.065 122.820 -0.006 0.000 2.259 16 A HA -0.118 4.201 4.320 -0.000 0.000 0.212 16 A C 2.217 179.716 177.584 -0.142 0.000 1.178 16 A CA 1.043 53.054 52.037 -0.044 0.000 0.734 16 A CB -0.450 18.543 19.000 -0.011 0.000 0.774 16 A HN 0.405 nan 8.150 nan 0.000 0.481 17 E N 0.188 120.213 120.200 -0.293 0.000 2.024 17 E HA -0.042 4.308 4.350 -0.000 0.000 0.190 17 E C 1.565 177.966 176.600 -0.332 0.000 0.974 17 E CA 0.843 57.056 56.400 -0.311 0.000 0.810 17 E CB -0.267 29.220 29.700 -0.355 0.000 0.775 17 E HN 0.577 nan 8.360 nan 0.000 0.453 18 K N 0.567 120.640 120.400 -0.546 0.000 2.439 18 K HA -0.010 4.310 4.320 -0.000 0.000 0.197 18 K C 1.879 178.380 176.600 -0.164 0.000 1.041 18 K CA 0.705 56.792 56.287 -0.333 0.000 0.970 18 K CB 0.049 32.389 32.500 -0.267 0.000 0.773 18 K HN 0.060 nan 8.250 nan 0.000 0.479 19 T N 1.006 115.489 114.554 -0.118 0.000 2.788 19 T HA -0.173 4.177 4.350 -0.000 0.000 0.268 19 T C 1.754 176.413 174.700 -0.067 0.000 1.044 19 T CA 1.299 63.378 62.100 -0.035 0.000 1.139 19 T CB 0.013 68.888 68.868 0.011 0.000 0.867 19 T HN 0.268 nan 8.240 nan 0.000 0.454 20 K N 0.684 121.030 120.400 -0.090 0.000 2.116 20 K HA -0.012 4.308 4.320 -0.000 0.000 0.203 20 K C 2.424 178.960 176.600 -0.106 0.000 1.052 20 K CA 0.891 57.129 56.287 -0.081 0.000 0.952 20 K CB 0.051 32.506 32.500 -0.076 0.000 0.729 20 K HN 0.311 nan 8.250 nan 0.000 0.446 21 E N 0.488 120.605 120.200 -0.139 0.000 2.076 21 E HA -0.130 4.219 4.350 -0.000 0.000 0.190 21 E C 1.935 178.393 176.600 -0.238 0.000 0.979 21 E CA 0.727 57.032 56.400 -0.158 0.000 0.807 21 E CB 0.113 29.722 29.700 -0.151 0.000 0.761 21 E HN 0.299 nan 8.360 nan 0.000 0.454 22 L N 0.284 121.313 121.223 -0.322 0.000 2.156 22 L HA -0.038 4.302 4.340 -0.000 0.000 0.208 22 L C 2.601 179.141 176.870 -0.550 0.000 1.095 22 L CA 0.805 55.250 54.840 -0.659 0.000 0.770 22 L CB -0.297 41.298 42.059 -0.773 0.000 0.914 22 L HN 0.135 nan 8.230 nan 0.000 0.439 23 A N -0.356 122.334 122.820 -0.218 0.000 1.969 23 A HA -0.217 4.103 4.320 -0.000 0.000 0.218 23 A C 2.276 179.837 177.584 -0.040 0.000 1.169 23 A CA 1.530 53.544 52.037 -0.039 0.000 0.635 23 A CB -0.342 18.664 19.000 0.010 0.000 0.810 23 A HN 0.435 nan 8.150 nan 0.000 0.445 24 E N -0.648 119.499 120.200 -0.088 0.000 2.072 24 E HA -0.144 4.206 4.350 -0.000 0.000 0.190 24 E C 1.868 178.430 176.600 -0.064 0.000 0.982 24 E CA 1.014 57.376 56.400 -0.064 0.000 0.803 24 E CB -0.129 29.530 29.700 -0.068 0.000 0.755 24 E HN 0.435 nan 8.360 nan 0.000 0.453 25 L N 0.065 121.210 121.223 -0.130 0.000 2.141 25 L HA -0.123 4.217 4.340 -0.000 0.000 0.209 25 L C 1.377 178.307 176.870 0.098 0.000 1.094 25 L CA 1.182 55.978 54.840 -0.075 0.000 0.763 25 L CB -0.141 41.813 42.059 -0.176 0.000 0.908 25 L HN 0.305 nan 8.230 nan 0.000 0.437 26 W N -0.119 121.077 121.300 -0.174 0.000 3.316 26 W HA 0.455 5.115 4.660 -0.000 0.000 0.327 26 W C 1.551 177.874 176.519 -0.327 0.000 1.232 26 W CA -0.153 56.980 57.345 -0.354 0.000 1.805 26 W CB -1.316 27.803 29.460 -0.567 0.000 1.090 26 W HN 0.283 nan 8.180 nan 0.000 0.654 27 G N 1.432 110.247 108.800 0.026 0.000 2.341 27 G HA2 -0.101 3.859 3.960 -0.000 0.000 0.292 27 G HA3 -0.101 3.859 3.960 -0.000 0.000 0.292 27 G C 0.608 175.549 174.900 0.068 0.000 1.021 27 G CA 0.210 45.319 45.100 0.014 0.000 0.905 27 G HN 0.447 nan 8.290 nan 0.000 0.508 28 A N -0.166 122.742 122.820 0.147 0.000 2.407 28 A HA 0.569 4.889 4.320 -0.000 0.000 0.248 28 A C 1.167 178.834 177.584 0.137 0.000 1.082 28 A CA 0.624 52.830 52.037 0.283 0.000 0.785 28 A CB 0.444 19.708 19.000 0.440 0.000 1.020 28 A HN 0.721 nan 8.150 nan 0.000 0.489 29 D N -0.353 120.111 120.400 0.106 0.000 2.520 29 D HA 0.415 5.055 4.640 -0.000 0.000 0.223 29 D C 0.027 176.339 176.300 0.020 0.000 1.186 29 D CA 0.745 54.772 54.000 0.046 0.000 0.821 29 D CB 0.150 40.967 40.800 0.028 0.000 1.072 29 D HN 0.673 nan 8.370 nan 0.000 0.518 30 A N 0.462 123.269 122.820 -0.022 0.000 2.455 30 A HA 0.683 5.003 4.320 -0.000 0.000 0.300 30 A C -1.307 176.164 177.584 -0.188 0.000 1.040 30 A CA -0.772 51.195 52.037 -0.116 0.000 0.697 30 A CB 1.296 20.155 19.000 -0.236 0.000 1.265 30 A HN 0.122 nan 8.150 nan 0.000 0.407 31 I N 2.610 123.091 120.570 -0.149 0.000 2.389 31 I HA 0.415 4.585 4.170 -0.000 0.000 0.288 31 I C 0.690 176.723 176.117 -0.141 0.000 0.999 31 I CA -0.695 60.539 61.300 -0.111 0.000 1.129 31 I CB 1.389 39.383 38.000 -0.010 0.000 1.288 31 I HN 0.657 nan 8.210 nan 0.000 0.444 32 R N 4.313 124.704 120.500 -0.181 0.000 2.584 32 R HA 0.484 4.824 4.340 -0.000 0.000 0.253 32 R C -0.571 175.739 176.300 0.017 0.000 1.251 32 R CA -0.205 55.839 56.100 -0.093 0.000 1.129 32 R CB 0.968 31.191 30.300 -0.129 0.000 1.239 32 R HN 0.827 nan 8.270 nan 0.000 0.595 48 K N 0.141 120.552 120.400 0.018 0.000 2.349 48 K HA 0.523 4.843 4.320 -0.000 0.000 0.243 48 K C -0.447 176.179 176.600 0.043 0.000 1.058 48 K CA -0.976 55.328 56.287 0.027 0.000 0.871 48 K CB 2.146 34.660 32.500 0.024 0.000 1.337 48 K HN 0.173 nan 8.250 nan 0.000 0.469 49 K N 1.412 121.848 120.400 0.059 0.000 2.298 49 K HA 0.267 4.587 4.320 -0.000 0.000 0.280 49 K C -0.456 176.229 176.600 0.142 0.000 1.032 49 K CA -0.328 56.025 56.287 0.110 0.000 0.958 49 K CB 0.449 33.038 32.500 0.148 0.000 0.978 49 K HN 0.310 nan 8.250 nan 0.000 0.472 50 I N 4.882 125.563 120.570 0.186 0.000 2.406 50 I HA 0.210 4.380 4.170 -0.000 0.000 0.290 50 I C -0.687 175.642 176.117 0.353 0.000 0.999 50 I CA -0.814 60.606 61.300 0.200 0.000 1.124 50 I CB 0.805 38.872 38.000 0.112 0.000 1.289 50 I HN 0.479 nan 8.210 nan 0.000 0.441 51 Y N 4.324 124.649 120.300 0.041 0.000 2.342 51 Y HA 0.424 4.974 4.550 -0.000 0.000 0.334 51 Y C 0.559 176.488 175.900 0.048 0.000 1.067 51 Y CA -1.169 56.954 58.100 0.038 0.000 1.128 51 Y CB 1.213 39.683 38.460 0.016 0.000 1.200 51 Y HN 0.446 nan 8.280 nan 0.000 0.464 52 N N 1.491 120.299 118.700 0.179 0.000 2.410 52 N HA 0.531 5.271 4.740 -0.000 0.000 0.287 52 N C -1.147 174.339 175.510 -0.040 0.000 1.044 52 N CA -0.563 52.582 53.050 0.158 0.000 0.881 52 N CB 2.029 40.741 38.487 0.376 0.000 1.405 52 N HN 0.715 nan 8.380 nan 0.000 0.490 53 A N 2.680 125.417 122.820 -0.138 0.000 2.488 53 A HA 0.167 4.487 4.320 -0.000 0.000 0.249 53 A C -1.033 176.034 177.584 -0.862 0.000 1.083 53 A CA 0.372 52.130 52.037 -0.465 0.000 0.768 53 A CB -0.076 18.689 19.000 -0.391 0.000 1.017 53 A HN 0.688 nan 8.150 nan 0.000 0.496 54 Y N 1.596 121.219 120.300 -1.129 0.000 2.393 54 Y HA 0.588 5.137 4.550 -0.000 0.000 0.341 54 Y C -1.089 174.212 175.900 -0.999 0.000 0.988 54 Y CA -0.898 56.519 58.100 -1.140 0.000 1.078 54 Y CB 1.640 39.437 38.460 -1.105 0.000 1.203 54 Y HN 0.564 nan 8.280 nan 0.000 0.453 55 F N 6.981 126.583 119.950 -0.580 0.000 2.449 55 F HA 0.394 4.921 4.527 -0.000 0.000 0.344 55 F C -2.061 173.604 175.800 -0.226 0.000 1.180 55 F CA -2.300 55.520 58.000 -0.300 0.000 1.209 55 F CB 0.832 39.683 39.000 -0.248 0.000 1.440 55 F HN 0.414 nan 8.300 nan 0.000 0.526 56 P HA -0.166 nan 4.420 nan 0.000 0.217 56 P C 1.500 178.956 177.300 0.259 0.000 1.148 56 P CA 1.678 64.924 63.100 0.242 0.000 0.828 56 P CB 0.067 31.901 31.700 0.223 0.000 0.783 57 T N -4.092 110.482 114.554 0.034 0.000 3.122 57 T HA 0.230 4.580 4.350 -0.000 0.000 0.250 57 T C 0.593 174.668 174.700 -1.042 0.000 1.067 57 T CA -0.494 61.408 62.100 -0.330 0.000 0.966 57 T CB -0.296 68.477 68.868 -0.158 0.000 1.002 57 T HN 0.224 nan 8.240 nan 0.000 0.542 58 R N -1.111 119.068 120.500 -0.535 0.000 2.929 58 R HA 0.726 5.066 4.340 -0.000 0.000 0.259 58 R C -0.263 176.108 176.300 0.119 0.000 1.141 58 R CA -0.656 55.225 56.100 -0.365 0.000 0.991 58 R CB 0.162 30.341 30.300 -0.202 0.000 1.287 58 R HN 0.363 nan 8.270 nan 0.000 0.450 59 A N -0.217 122.660 122.820 0.095 0.000 3.031 59 A HA -0.130 4.190 4.320 -0.000 0.000 0.244 59 A C -0.645 176.833 177.584 -0.177 0.000 1.341 59 A CA 1.128 53.149 52.037 -0.026 0.000 0.943 59 A CB -2.450 16.488 19.000 -0.103 0.000 1.122 59 A HN 0.739 nan 8.150 nan 0.000 0.760 60 H N -0.862 118.487 119.070 0.464 0.000 2.562 60 H HA 0.196 4.752 4.556 -0.000 0.000 0.230 60 H C 0.674 176.204 175.328 0.338 0.000 1.415 60 H CA -0.347 55.950 56.048 0.415 0.000 1.454 60 H CB 0.174 30.236 29.762 0.501 0.000 1.716 60 H HN 0.367 nan 8.280 nan 0.000 0.538 61 N N 1.065 119.929 118.700 0.273 0.000 2.381 61 N HA -0.144 4.596 4.740 -0.000 0.000 0.182 61 N C 2.087 177.648 175.510 0.086 0.000 1.025 61 N CA 0.727 53.875 53.050 0.164 0.000 0.888 61 N CB 0.348 38.879 38.487 0.073 0.000 0.965 61 N HN 0.643 nan 8.380 nan 0.000 0.438 62 E N 0.175 120.446 120.200 0.118 0.000 2.110 62 E HA -0.208 4.141 4.350 -0.000 0.000 0.193 62 E C 1.822 178.424 176.600 0.005 0.000 0.988 62 E CA 0.702 57.142 56.400 0.066 0.000 0.804 62 E CB -0.867 28.909 29.700 0.127 0.000 0.745 62 E HN 0.573 nan 8.360 nan 0.000 0.458 63 W N 1.358 122.521 121.300 -0.227 0.000 2.423 63 W HA -0.135 4.524 4.660 -0.000 0.000 0.321 63 W C 2.136 178.492 176.519 -0.272 0.000 1.180 63 W CA 1.164 58.206 57.345 -0.504 0.000 1.322 63 W CB -0.469 28.201 29.460 -1.317 0.000 1.174 63 W HN 0.105 nan 8.180 nan 0.000 0.470 64 I N 2.486 122.893 120.570 -0.271 0.000 2.361 64 I HA -0.282 3.888 4.170 -0.000 0.000 0.251 64 I C 2.589 178.550 176.117 -0.259 0.000 1.133 64 I CA 2.621 63.778 61.300 -0.237 0.000 1.413 64 I CB -0.749 37.417 38.000 0.277 0.000 1.073 64 I HN 0.117 nan 8.210 nan 0.000 0.424 65 T N -1.489 112.940 114.554 -0.207 0.000 2.849 65 T HA -0.174 4.176 4.350 -0.000 0.000 0.270 65 T C 1.835 176.334 174.700 -0.336 0.000 1.066 65 T CA 1.553 63.522 62.100 -0.218 0.000 1.130 65 T CB -0.818 67.955 68.868 -0.157 0.000 0.864 65 T HN 0.414 nan 8.240 nan 0.000 0.481 66 L N 0.082 120.998 121.223 -0.513 0.000 2.492 66 L HA 0.151 4.491 4.340 -0.000 0.000 0.223 66 L C 0.914 177.159 176.870 -1.042 0.000 1.132 66 L CA 0.597 54.992 54.840 -0.742 0.000 0.850 66 L CB -0.168 41.388 42.059 -0.839 0.000 0.966 66 L HN 0.419 nan 8.230 nan 0.000 0.454 67 H N -0.762 117.978 119.070 -0.551 0.000 2.511 67 H HA 0.221 4.777 4.556 -0.000 0.000 0.228 67 H C 0.796 175.923 175.328 -0.335 0.000 1.424 67 H CA -0.327 55.443 56.048 -0.464 0.000 1.321 67 H CB 0.885 30.274 29.762 -0.622 0.000 1.720 67 H HN 0.073 nan 8.280 nan 0.000 0.512 68 M N 0.937 120.395 119.600 -0.237 0.000 2.460 68 M HA -0.075 4.405 4.480 -0.000 0.000 0.263 68 M C 0.863 176.955 176.300 -0.347 0.000 1.071 68 M CA 1.030 56.171 55.300 -0.264 0.000 1.096 68 M CB -0.615 31.805 32.600 -0.300 0.000 1.408 68 M HN 0.427 nan 8.290 nan 0.000 0.463 69 D N -0.739 119.509 120.400 -0.253 0.000 2.363 69 D HA -0.087 4.553 4.640 -0.000 0.000 0.226 69 D C 0.740 176.998 176.300 -0.069 0.000 1.020 69 D CA 0.474 54.399 54.000 -0.126 0.000 0.892 69 D CB -0.420 40.377 40.800 -0.004 0.000 0.900 69 D HN 0.404 nan 8.370 nan 0.000 0.531 70 E N 0.277 120.418 120.200 -0.098 0.000 2.501 70 E HA 0.045 4.395 4.350 -0.000 0.000 0.200 70 E C 0.212 176.982 176.600 0.285 0.000 1.016 70 E CA -0.101 56.272 56.400 -0.046 0.000 0.921 70 E CB 0.371 30.088 29.700 0.029 0.000 1.034 70 E HN 0.388 nan 8.360 nan 0.000 0.468 71 T N -0.271 114.429 114.554 0.243 0.000 2.856 71 T HA 0.178 4.528 4.350 -0.000 0.000 0.306 71 T C -2.434 172.478 174.700 0.353 0.000 1.062 71 T CA -1.695 60.584 62.100 0.299 0.000 1.083 71 T CB 0.781 69.781 68.868 0.220 0.000 0.984 71 T HN -0.248 nan 8.240 nan 0.000 0.542 72 P HA 0.203 nan 4.420 nan 0.000 0.268 72 P C -0.393 177.020 177.300 0.189 0.000 1.208 72 P CA -0.183 63.075 63.100 0.264 0.000 0.777 72 P CB 0.358 32.188 31.700 0.215 0.000 0.875 73 Q N -0.170 119.684 119.800 0.091 0.000 2.552 73 Q HA 0.805 5.145 4.340 -0.000 0.000 0.289 73 Q C -1.470 174.420 176.000 -0.184 0.000 1.097 73 Q CA -1.105 54.646 55.803 -0.086 0.000 0.812 73 Q CB 2.759 31.370 28.738 -0.213 0.000 1.460 73 Q HN 0.227 nan 8.270 nan 0.000 0.452 74 V N 0.392 120.109 119.914 -0.328 0.000 3.000 74 V HA 0.364 4.484 4.120 -0.000 0.000 0.300 74 V C -2.063 173.721 176.094 -0.517 0.000 1.251 74 V CA -0.535 61.557 62.300 -0.347 0.000 0.972 74 V CB 1.711 33.422 31.823 -0.186 0.000 1.065 74 V HN 0.757 nan 8.190 nan 0.000 0.431 75 Y N 5.893 125.954 120.300 -0.398 0.000 2.402 75 Y HA 0.536 5.085 4.550 -0.000 0.000 0.333 75 Y C 0.432 176.086 175.900 -0.410 0.000 1.076 75 Y CA 0.141 57.977 58.100 -0.441 0.000 1.299 75 Y CB 1.020 39.276 38.460 -0.340 0.000 1.197 75 Y HN 0.483 nan 8.280 nan 0.000 0.517 76 L N 5.073 125.913 121.223 -0.639 0.000 2.346 76 L HA 0.450 4.789 4.340 -0.000 0.000 0.274 76 L C -1.044 175.610 176.870 -0.360 0.000 1.007 76 L CA -1.180 53.288 54.840 -0.620 0.000 0.818 76 L CB 1.696 42.879 42.059 -1.459 0.000 1.284 76 L HN 0.424 nan 8.230 nan 0.000 0.424 77 L N 2.387 123.691 121.223 0.136 0.000 2.287 77 L HA 0.446 4.786 4.340 -0.000 0.000 0.287 77 L C 0.554 177.658 176.870 0.391 0.000 1.022 77 L CA 0.068 55.001 54.840 0.156 0.000 0.814 77 L CB 1.613 43.680 42.059 0.012 0.000 1.217 77 L HN 0.754 nan 8.230 nan 0.000 0.420 78 T N 0.674 115.435 114.554 0.346 0.000 2.766 78 T HA 0.219 4.569 4.350 -0.000 0.000 0.295 78 T C 0.226 175.014 174.700 0.148 0.000 1.024 78 T CA -0.760 61.536 62.100 0.326 0.000 1.018 78 T CB 0.293 69.297 68.868 0.226 0.000 1.002 78 T HN 0.552 nan 8.240 nan 0.000 0.532 79 D N 0.798 121.246 120.400 0.079 0.000 2.406 79 D HA 0.088 4.728 4.640 -0.000 0.000 0.234 79 D C 0.456 176.787 176.300 0.052 0.000 1.196 79 D CA 0.269 54.291 54.000 0.037 0.000 0.881 79 D CB 0.335 41.144 40.800 0.015 0.000 1.205 79 D HN 0.461 nan 8.370 nan 0.000 0.453 80 R N 1.322 121.846 120.500 0.040 0.000 2.316 80 R HA 0.235 4.575 4.340 -0.000 0.000 0.314 80 R C -0.185 176.154 176.300 0.066 0.000 1.069 80 R CA -0.304 55.824 56.100 0.046 0.000 0.959 80 R CB 0.566 30.881 30.300 0.025 0.000 0.987 80 R HN 0.271 nan 8.270 nan 0.000 0.446 81 I N 4.720 125.349 120.570 0.099 0.000 2.336 81 I HA 0.138 4.308 4.170 -0.000 0.000 0.292 81 I C -0.034 176.184 176.117 0.167 0.000 0.991 81 I CA -1.090 60.279 61.300 0.115 0.000 1.227 81 I CB 1.178 39.238 38.000 0.101 0.000 1.366 81 I HN 0.428 nan 8.210 nan 0.000 0.466 82 L N 6.507 127.815 121.223 0.143 0.000 2.360 82 L HA 0.472 4.812 4.340 -0.000 0.000 0.276 82 L C 0.387 177.343 176.870 0.143 0.000 1.121 82 L CA 0.163 55.108 54.840 0.174 0.000 0.845 82 L CB 0.754 42.920 42.059 0.179 0.000 1.143 82 L HN 0.730 nan 8.230 nan 0.000 0.452 83 A N 4.551 127.475 122.820 0.173 0.000 2.309 83 A HA 0.485 4.805 4.320 -0.000 0.000 0.298 83 A C 0.459 177.869 177.584 -0.289 0.000 1.165 83 A CA -0.407 51.624 52.037 -0.011 0.000 0.821 83 A CB 0.224 19.236 19.000 0.019 0.000 1.102 83 A HN 0.890 nan 8.150 nan 0.000 0.500 84 E N 1.040 120.988 120.200 -0.419 0.000 2.526 84 E HA 0.149 4.499 4.350 -0.000 0.000 0.208 84 E C 0.160 176.340 176.600 -0.699 0.000 0.997 84 E CA 0.546 56.439 56.400 -0.845 0.000 0.961 84 E CB 0.374 29.849 29.700 -0.375 0.000 1.030 84 E HN 0.775 nan 8.360 nan 0.000 0.483 85 S N 0.111 115.539 115.700 -0.452 0.000 3.003 85 S HA 0.055 4.525 4.470 -0.000 0.000 0.313 85 S C 0.011 174.464 174.600 -0.245 0.000 1.230 85 S CA -0.463 57.547 58.200 -0.316 0.000 0.977 85 S CB 0.380 63.471 63.200 -0.182 0.000 1.340 85 S HN 0.013 nan 8.310 nan 0.000 0.608 86 D N 1.328 121.629 120.400 -0.165 0.000 2.363 86 D HA 0.121 4.761 4.640 -0.000 0.000 0.226 86 D C 0.850 177.065 176.300 -0.142 0.000 1.020 86 D CA 0.968 54.884 54.000 -0.139 0.000 0.892 86 D CB -0.594 40.152 40.800 -0.091 0.000 0.900 86 D HN 0.741 nan 8.370 nan 0.000 0.531 87 T N -3.185 111.285 114.554 -0.139 0.000 2.907 87 T HA 0.643 4.993 4.350 -0.000 0.000 0.292 87 T C -0.722 173.896 174.700 -0.137 0.000 1.043 87 T CA -0.956 61.071 62.100 -0.123 0.000 1.003 87 T CB 2.353 71.185 68.868 -0.060 0.000 1.084 87 T HN -0.021 nan 8.240 nan 0.000 0.483 88 V N 0.925 120.763 119.914 -0.127 0.000 2.969 88 V HA 0.537 4.657 4.120 -0.000 0.000 0.304 88 V C -1.935 174.145 176.094 -0.023 0.000 1.192 88 V CA -0.767 61.477 62.300 -0.094 0.000 0.962 88 V CB 2.373 34.099 31.823 -0.161 0.000 1.045 88 V HN 1.093 nan 8.190 nan 0.000 0.428 89 D N 5.155 125.567 120.400 0.020 0.000 2.193 89 D HA 0.580 5.220 4.640 -0.000 0.000 0.244 89 D C -0.465 175.830 176.300 -0.007 0.000 1.064 89 D CA 0.288 54.307 54.000 0.031 0.000 0.845 89 D CB 1.792 42.647 40.800 0.092 0.000 1.148 89 D HN 0.507 nan 8.370 nan 0.000 0.464 90 I N 4.173 124.713 120.570 -0.050 0.000 2.420 90 I HA 0.233 4.403 4.170 -0.000 0.000 0.282 90 I C -2.327 173.755 176.117 -0.058 0.000 1.019 90 I CA -2.127 59.154 61.300 -0.033 0.000 1.130 90 I CB 1.948 39.930 38.000 -0.030 0.000 1.262 90 I HN -0.005 nan 8.210 nan 0.000 0.454 91 P HA 0.175 nan 4.420 nan 0.000 0.276 91 P C 0.612 177.890 177.300 -0.037 0.000 1.235 91 P CA -0.195 62.887 63.100 -0.030 0.000 0.772 91 P CB 1.351 33.057 31.700 0.010 0.000 0.871 92 L N 1.970 123.116 121.223 -0.128 0.000 2.095 92 L HA 0.001 4.340 4.340 -0.000 0.000 0.204 92 L C 1.954 178.863 176.870 0.064 0.000 1.080 92 L CA 1.390 56.065 54.840 -0.275 0.000 0.759 92 L CB -0.452 41.143 42.059 -0.775 0.000 0.914 92 L HN 0.348 nan 8.230 nan 0.000 0.439 93 M N -1.218 118.447 119.600 0.107 0.000 2.333 93 M HA 0.056 4.536 4.480 -0.000 0.000 0.257 93 M C 1.558 178.018 176.300 0.266 0.000 1.078 93 M CA 0.415 55.884 55.300 0.283 0.000 1.005 93 M CB 0.222 32.926 32.600 0.173 0.000 1.444 93 M HN 0.163 nan 8.290 nan 0.000 0.496 94 E N 0.886 121.181 120.200 0.160 0.000 2.219 94 E HA -0.151 4.199 4.350 -0.000 0.000 0.198 94 E C 1.380 178.010 176.600 0.049 0.000 0.998 94 E CA 1.666 58.123 56.400 0.094 0.000 0.818 94 E CB 0.252 29.986 29.700 0.056 0.000 0.741 94 E HN 0.445 nan 8.360 nan 0.000 0.477 95 S N -1.020 114.660 115.700 -0.033 0.000 2.578 95 S HA 0.194 4.664 4.470 -0.000 0.000 0.231 95 S C -0.019 174.371 174.600 -0.350 0.000 0.994 95 S CA -0.632 57.426 58.200 -0.237 0.000 0.956 95 S CB 0.218 63.189 63.200 -0.381 0.000 0.870 95 S HN -0.049 nan 8.310 nan 0.000 0.494 96 F N 1.254 121.301 119.950 0.160 0.000 2.538 96 F HA 0.563 5.090 4.527 -0.000 0.000 0.325 96 F C -0.138 175.835 175.800 0.288 0.000 1.066 96 F CA -1.920 56.202 58.000 0.204 0.000 0.946 96 F CB 0.761 39.884 39.000 0.204 0.000 1.199 96 F HN 0.052 nan 8.300 nan 0.000 0.473 97 F N 2.474 122.621 119.950 0.328 0.000 2.494 97 F HA 0.343 4.870 4.527 -0.000 0.000 0.369 97 F C 1.047 176.990 175.800 0.238 0.000 1.098 97 F CA -1.230 56.921 58.000 0.251 0.000 1.154 97 F CB 0.359 39.512 39.000 0.255 0.000 1.103 97 F HN 0.581 nan 8.300 nan 0.000 0.549 98 A N 4.970 127.887 122.820 0.162 0.000 2.121 98 A HA -0.076 4.244 4.320 -0.000 0.000 0.218 98 A C 1.927 179.417 177.584 -0.156 0.000 1.154 98 A CA 1.022 53.081 52.037 0.036 0.000 0.679 98 A CB -0.468 18.582 19.000 0.083 0.000 0.795 98 A HN 0.761 nan 8.150 nan 0.000 0.458 99 E N -0.716 119.146 120.200 -0.564 0.000 2.285 99 E HA -0.165 4.185 4.350 -0.000 0.000 0.194 99 E C 1.893 178.366 176.600 -0.212 0.000 0.997 99 E CA 1.069 57.151 56.400 -0.530 0.000 0.845 99 E CB -0.008 29.085 29.700 -1.012 0.000 0.782 99 E HN 0.886 nan 8.360 nan 0.000 0.491 100 Q N -0.003 119.671 119.800 -0.211 0.000 2.394 100 Q HA 0.114 4.454 4.340 -0.000 0.000 0.218 100 Q C 0.104 176.156 176.000 0.086 0.000 0.907 100 Q CA 0.226 56.066 55.803 0.062 0.000 0.919 100 Q CB 0.680 29.483 28.738 0.109 0.000 1.051 100 Q HN 0.067 nan 8.270 nan 0.000 0.538 101 L N 1.073 122.340 121.223 0.073 0.000 2.401 101 L HA 0.560 4.900 4.340 -0.000 0.000 0.266 101 L C -1.018 175.910 176.870 0.096 0.000 0.991 101 L CA -0.741 54.144 54.840 0.074 0.000 0.818 101 L CB 2.343 44.418 42.059 0.027 0.000 1.321 101 L HN -0.156 nan 8.230 nan 0.000 0.413 102 K N 3.056 123.533 120.400 0.128 0.000 2.513 102 K HA 0.542 4.862 4.320 -0.000 0.000 0.251 102 K C -2.814 173.913 176.600 0.213 0.000 0.939 102 K CA -1.668 54.717 56.287 0.163 0.000 0.793 102 K CB 2.726 35.324 32.500 0.162 0.000 1.241 102 K HN 0.110 nan 8.250 nan 0.000 0.431 103 P HA -0.025 nan 4.420 nan 0.000 0.265 103 P C -1.102 176.360 177.300 0.271 0.000 1.193 103 P CA -0.187 63.054 63.100 0.235 0.000 0.765 103 P CB 0.407 32.150 31.700 0.072 0.000 0.823 104 N N 3.155 121.977 118.700 0.202 0.000 2.402 104 N HA 0.059 4.799 4.740 -0.000 0.000 0.252 104 N C 0.617 176.304 175.510 0.295 0.000 1.118 104 N CA 0.104 53.191 53.050 0.062 0.000 0.945 104 N CB 0.040 38.265 38.487 -0.436 0.000 1.147 104 N HN 0.223 nan 8.380 nan 0.000 0.495 105 R N 1.901 122.560 120.500 0.265 0.000 2.300 105 R HA 0.082 4.422 4.340 -0.000 0.000 0.199 105 R C 0.277 176.640 176.300 0.106 0.000 0.920 105 R CA 0.095 56.295 56.100 0.166 0.000 1.046 105 R CB 0.538 30.924 30.300 0.144 0.000 0.984 105 R HN 0.545 nan 8.270 nan 0.000 0.493 106 D N 1.503 121.991 120.400 0.145 0.000 2.103 106 D HA -0.047 4.593 4.640 -0.000 0.000 0.199 106 D C 0.585 176.913 176.300 0.048 0.000 0.978 106 D CA 0.821 54.883 54.000 0.104 0.000 0.829 106 D CB 0.041 40.940 40.800 0.164 0.000 0.981 106 D HN 0.105 nan 8.370 nan 0.000 0.464 107 A N 1.442 124.260 122.820 -0.004 0.000 2.354 107 A HA 0.089 4.409 4.320 -0.000 0.000 0.281 107 A C -0.164 177.446 177.584 0.043 0.000 1.174 107 A CA -0.417 51.578 52.037 -0.069 0.000 0.828 107 A CB 0.429 19.181 19.000 -0.414 0.000 1.099 107 A HN -0.110 nan 8.150 nan 0.000 0.516 108 D N 4.719 125.224 120.400 0.174 0.000 2.659 108 D HA -0.032 4.608 4.640 -0.000 0.000 0.264 108 D C -0.982 175.342 176.300 0.039 0.000 1.329 108 D CA -1.090 52.977 54.000 0.111 0.000 0.963 108 D CB 0.589 41.471 40.800 0.135 0.000 1.136 108 D HN 0.251 nan 8.370 nan 0.000 0.554 109 P HA -0.214 nan 4.420 nan 0.000 0.216 109 P C 0.849 178.036 177.300 -0.189 0.000 1.154 109 P CA 1.509 64.064 63.100 -0.907 0.000 0.865 109 P CB -0.023 30.981 31.700 -1.159 0.000 0.789 110 H N -1.158 117.799 119.070 -0.188 0.000 2.521 110 H HA -0.005 4.551 4.556 -0.000 0.000 0.286 110 H C 2.206 177.530 175.328 -0.006 0.000 1.034 110 H CA 1.299 57.255 56.048 -0.154 0.000 1.278 110 H CB -0.225 29.314 29.762 -0.371 0.000 1.386 110 H HN 0.185 nan 8.280 nan 0.000 0.567 111 K N -0.458 119.981 120.400 0.066 0.000 2.128 111 K HA -0.049 4.271 4.320 -0.000 0.000 0.202 111 K C 0.612 177.146 176.600 -0.110 0.000 1.050 111 K CA 0.866 57.092 56.287 -0.102 0.000 0.966 111 K CB 0.264 32.584 32.500 -0.301 0.000 0.759 111 K HN 0.262 nan 8.250 nan 0.000 0.454 112 Y N -1.370 119.059 120.300 0.214 0.000 2.444 112 Y HA 0.151 4.700 4.550 -0.000 0.000 0.249 112 Y C 0.148 176.444 175.900 0.661 0.000 1.134 112 Y CA -0.679 57.642 58.100 0.370 0.000 1.261 112 Y CB 0.508 39.164 38.460 0.327 0.000 1.143 112 Y HN 0.032 nan 8.280 nan 0.000 0.523 113 W N 0.495 122.031 121.300 0.392 0.000 2.758 113 W HA 0.629 5.289 4.660 -0.000 0.000 0.355 113 W C -0.443 176.184 176.519 0.179 0.000 1.223 113 W CA -1.861 55.666 57.345 0.303 0.000 1.182 113 W CB 0.496 30.113 29.460 0.261 0.000 1.464 113 W HN -0.329 nan 8.180 nan 0.000 0.630 114 E N 0.287 120.633 120.200 0.243 0.000 2.343 114 E HA 0.403 4.753 4.350 -0.000 0.000 0.286 114 E C -1.968 174.543 176.600 -0.149 0.000 0.915 114 E CA -0.368 56.073 56.400 0.068 0.000 0.784 114 E CB 2.255 31.971 29.700 0.027 0.000 1.251 114 E HN 0.119 nan 8.360 nan 0.000 0.407 115 V N 4.162 123.909 119.914 -0.278 0.000 2.394 115 V HA 0.388 4.508 4.120 -0.000 0.000 0.282 115 V C -0.241 175.821 176.094 -0.054 0.000 1.031 115 V CA -0.589 61.533 62.300 -0.297 0.000 0.881 115 V CB 1.499 32.965 31.823 -0.596 0.000 0.982 115 V HN 0.453 nan 8.190 nan 0.000 0.451 116 V N 3.729 123.637 119.914 -0.009 0.000 2.459 116 V HA 0.349 4.469 4.120 -0.000 0.000 0.295 116 V C -0.158 175.962 176.094 0.043 0.000 1.029 116 V CA -0.689 61.622 62.300 0.019 0.000 0.874 116 V CB 2.039 33.845 31.823 -0.029 0.000 0.985 116 V HN 0.899 nan 8.190 nan 0.000 0.438 117 D N 4.521 124.940 120.400 0.032 0.000 2.374 117 D HA 0.126 4.766 4.640 -0.000 0.000 0.240 117 D C 1.221 177.416 176.300 -0.175 0.000 1.229 117 D CA -0.249 53.643 54.000 -0.180 0.000 0.895 117 D CB 0.770 41.559 40.800 -0.017 0.000 1.046 117 D HN 0.291 nan 8.370 nan 0.000 0.498 118 R N 2.244 122.612 120.500 -0.221 0.000 2.189 118 R HA -0.042 4.298 4.340 -0.000 0.000 0.223 118 R C 1.544 177.752 176.300 -0.154 0.000 1.092 118 R CA 0.660 56.673 56.100 -0.144 0.000 0.989 118 R CB -0.542 29.691 30.300 -0.112 0.000 0.876 118 R HN 0.450 nan 8.270 nan 0.000 0.457 119 T N 0.068 114.486 114.554 -0.227 0.000 2.857 119 T HA -0.089 4.261 4.350 -0.000 0.000 0.266 119 T C 1.808 176.377 174.700 -0.218 0.000 1.048 119 T CA 1.928 63.864 62.100 -0.274 0.000 1.139 119 T CB -0.045 68.502 68.868 -0.534 0.000 0.874 119 T HN 0.483 nan 8.240 nan 0.000 0.455 120 T N -2.111 112.358 114.554 -0.140 0.000 2.990 120 T HA 0.456 4.806 4.350 -0.000 0.000 0.249 120 T C 1.924 176.603 174.700 -0.034 0.000 1.039 120 T CA 0.888 62.954 62.100 -0.056 0.000 1.036 120 T CB 0.183 69.073 68.868 0.036 0.000 0.994 120 T HN 0.470 nan 8.240 nan 0.000 0.489 121 G N 1.550 110.325 108.800 -0.043 0.000 2.195 121 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.246 121 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.246 121 G C -0.116 174.780 174.900 -0.007 0.000 0.984 121 G CA 0.008 45.089 45.100 -0.031 0.000 0.633 121 G HN 0.610 nan 8.290 nan 0.000 0.525 122 E N 0.651 120.862 120.200 0.018 0.000 2.360 122 E HA 0.389 4.739 4.350 -0.000 0.000 0.269 122 E C 0.671 177.306 176.600 0.057 0.000 1.022 122 E CA -0.399 56.028 56.400 0.044 0.000 0.887 122 E CB 1.783 31.524 29.700 0.070 0.000 0.990 122 E HN 0.183 nan 8.360 nan 0.000 0.426 123 V N 3.480 123.430 119.914 0.060 0.000 2.521 123 V HA -0.028 4.092 4.120 -0.000 0.000 0.286 123 V C 0.533 176.703 176.094 0.126 0.000 1.034 123 V CA -0.250 62.098 62.300 0.081 0.000 1.045 123 V CB 0.986 32.855 31.823 0.077 0.000 0.974 123 V HN 0.375 nan 8.190 nan 0.000 0.480 124 V N 4.638 124.647 119.914 0.158 0.000 2.637 124 V HA 0.052 4.172 4.120 -0.000 0.000 0.296 124 V C 0.529 176.791 176.094 0.281 0.000 1.046 124 V CA -0.284 62.144 62.300 0.213 0.000 1.066 124 V CB 1.149 33.108 31.823 0.226 0.000 0.968 124 V HN 0.950 nan 8.190 nan 0.000 0.483 125 D N 3.320 123.861 120.400 0.234 0.000 2.455 125 D HA 0.021 4.660 4.640 -0.000 0.000 0.241 125 D C 1.379 177.837 176.300 0.263 0.000 1.138 125 D CA 0.636 54.761 54.000 0.209 0.000 0.877 125 D CB 1.226 42.101 40.800 0.124 0.000 1.187 125 D HN 0.634 nan 8.370 nan 0.000 0.451 126 S N 2.734 118.547 115.700 0.189 0.000 2.440 126 S HA -0.191 4.279 4.470 -0.000 0.000 0.238 126 S C 1.948 176.433 174.600 -0.191 0.000 1.010 126 S CA 0.671 58.809 58.200 -0.104 0.000 0.972 126 S CB -0.286 62.928 63.200 0.024 0.000 0.774 126 S HN 0.557 nan 8.310 nan 0.000 0.501 127 A N 2.041 124.827 122.820 -0.057 0.000 2.121 127 A HA 0.015 4.335 4.320 -0.000 0.000 0.218 127 A C 1.717 179.289 177.584 -0.019 0.000 1.154 127 A CA 1.184 53.181 52.037 -0.067 0.000 0.679 127 A CB -0.679 18.300 19.000 -0.035 0.000 0.795 127 A HN 0.632 nan 8.150 nan 0.000 0.458 128 N N -0.699 118.033 118.700 0.054 0.000 2.270 128 N HA 0.151 4.891 4.740 -0.000 0.000 0.198 128 N C -0.292 175.368 175.510 0.250 0.000 1.117 128 N CA 0.056 53.186 53.050 0.133 0.000 0.845 128 N CB 0.274 38.859 38.487 0.163 0.000 0.980 128 N HN 0.805 nan 8.380 nan 0.000 0.486 129 W N -0.124 121.241 121.300 0.107 0.000 3.213 129 W HA 0.506 5.166 4.660 -0.000 0.000 0.318 129 W C -1.383 175.246 176.519 0.184 0.000 1.248 129 W CA -0.925 56.478 57.345 0.097 0.000 1.187 129 W CB 0.301 29.780 29.460 0.033 0.000 1.403 129 W HN -0.207 nan 8.180 nan 0.000 0.556 130 T N 0.150 114.974 114.554 0.450 0.000 2.903 130 T HA 0.551 4.901 4.350 -0.000 0.000 0.299 130 T C -1.485 173.453 174.700 0.397 0.000 1.093 130 T CA -0.808 61.496 62.100 0.339 0.000 1.002 130 T CB 2.382 71.386 68.868 0.226 0.000 1.127 130 T HN 0.561 nan 8.240 nan 0.000 0.488 131 L N 2.225 123.631 121.223 0.305 0.000 2.265 131 L HA 0.489 4.829 4.340 -0.000 0.000 0.288 131 L C 0.062 177.036 176.870 0.173 0.000 1.058 131 L CA -0.073 54.899 54.840 0.220 0.000 0.809 131 L CB 0.259 42.409 42.059 0.151 0.000 1.179 131 L HN 0.902 nan 8.230 nan 0.000 0.429 132 D N 3.442 123.932 120.400 0.149 0.000 2.506 132 D HA 0.130 4.770 4.640 -0.000 0.000 0.234 132 D C 1.118 177.494 176.300 0.128 0.000 1.143 132 D CA 1.003 55.127 54.000 0.205 0.000 0.871 132 D CB 1.355 42.288 40.800 0.222 0.000 1.190 132 D HN 0.779 nan 8.370 nan 0.000 0.459 133 A N 3.419 126.305 122.820 0.110 0.000 1.969 133 A HA -0.124 4.196 4.320 -0.000 0.000 0.218 133 A C 1.461 179.083 177.584 0.064 0.000 1.169 133 A CA 1.280 53.360 52.037 0.071 0.000 0.635 133 A CB 0.009 19.039 19.000 0.050 0.000 0.810 133 A HN 0.699 nan 8.150 nan 0.000 0.445 134 D N -0.928 119.515 120.400 0.071 0.000 2.454 134 D HA 0.111 4.751 4.640 -0.000 0.000 0.214 134 D C 0.016 176.352 176.300 0.059 0.000 1.088 134 D CA 0.240 54.274 54.000 0.057 0.000 0.855 134 D CB 0.385 41.215 40.800 0.049 0.000 1.025 134 D HN 0.426 nan 8.370 nan 0.000 0.502 135 E N 0.984 121.226 120.200 0.070 0.000 2.277 135 E HA 0.200 4.550 4.350 -0.000 0.000 0.266 135 E C -0.772 175.851 176.600 0.038 0.000 0.901 135 E CA -0.496 55.938 56.400 0.055 0.000 0.782 135 E CB 1.864 31.602 29.700 0.064 0.000 1.228 135 E HN -0.131 nan 8.360 nan 0.000 0.424 136 D N 1.946 122.356 120.400 0.016 0.000 2.688 136 D HA 0.157 4.797 4.640 -0.000 0.000 0.228 136 D C -0.644 175.615 176.300 -0.068 0.000 1.116 136 D CA 0.321 54.307 54.000 -0.022 0.000 1.023 136 D CB 0.038 40.813 40.800 -0.041 0.000 1.100 136 D HN 0.113 nan 8.370 nan 0.000 0.487 137 T N -0.389 114.121 114.554 -0.074 0.000 2.893 137 T HA 0.373 4.723 4.350 -0.000 0.000 0.293 137 T C -0.077 174.468 174.700 -0.258 0.000 1.027 137 T CA -0.581 61.422 62.100 -0.163 0.000 0.988 137 T CB 2.559 71.327 68.868 -0.167 0.000 1.043 137 T HN -0.186 nan 8.240 nan 0.000 0.461 138 V N 4.032 123.802 119.914 -0.241 0.000 2.398 138 V HA 0.355 4.475 4.120 -0.000 0.000 0.286 138 V C -0.411 175.532 176.094 -0.252 0.000 1.026 138 V CA -0.851 61.356 62.300 -0.155 0.000 0.868 138 V CB 1.063 32.869 31.823 -0.029 0.000 0.982 138 V HN 0.830 nan 8.190 nan 0.000 0.443 139 H N 3.935 123.095 119.070 0.150 0.000 2.556 139 H HA 0.465 5.021 4.556 -0.000 0.000 0.310 139 H C -0.589 174.816 175.328 0.130 0.000 1.057 139 H CA -0.377 55.731 56.048 0.100 0.000 1.264 139 H CB 1.628 31.437 29.762 0.078 0.000 1.404 139 H HN 0.359 nan 8.280 nan 0.000 0.462 140 V N 3.585 123.579 119.914 0.134 0.000 2.435 140 V HA 0.313 4.432 4.120 -0.000 0.000 0.290 140 V C 0.402 176.500 176.094 0.006 0.000 1.030 140 V CA -0.645 61.700 62.300 0.075 0.000 0.881 140 V CB 1.460 33.224 31.823 -0.099 0.000 0.983 140 V HN 0.876 nan 8.190 nan 0.000 0.445 141 S N 2.013 117.733 115.700 0.034 0.000 2.634 141 S HA 0.806 5.276 4.470 -0.000 0.000 0.296 141 S C 0.656 175.245 174.600 -0.018 0.000 1.104 141 S CA -0.143 58.053 58.200 -0.007 0.000 0.920 141 S CB 1.737 64.946 63.200 0.016 0.000 1.111 141 S HN 2.201 nan 8.310 nan 0.000 0.493 142 G N -0.266 108.514 108.800 -0.034 0.000 2.249 142 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.273 142 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.273 142 G C 0.103 174.981 174.900 -0.036 0.000 1.036 142 G CA 0.368 45.453 45.100 -0.025 0.000 0.824 142 G HN 1.851 nan 8.290 nan 0.000 0.504 143 V N -3.352 116.506 119.914 -0.092 0.000 3.267 143 V HA 0.978 5.097 4.120 -0.000 0.000 0.317 143 V C 0.713 176.747 176.094 -0.100 0.000 1.131 143 V CA -0.698 61.547 62.300 -0.092 0.000 1.031 143 V CB 1.647 33.308 31.823 -0.270 0.000 1.159 143 V HN 1.680 nan 8.190 nan 0.000 0.454 144 A N 0.806 123.570 122.820 -0.094 0.000 2.301 144 A HA 0.816 5.136 4.320 -0.000 0.000 0.298 144 A C 0.540 177.990 177.584 -0.223 0.000 1.185 144 A CA -0.026 51.844 52.037 -0.279 0.000 0.830 144 A CB 0.076 18.626 19.000 -0.750 0.000 1.112 144 A HN 2.078 nan 8.150 nan 0.000 0.508 145 A N 1.653 124.339 122.820 -0.224 0.000 2.498 145 A HA 0.413 4.732 4.320 -0.000 0.000 0.239 145 A C 0.216 177.711 177.584 -0.150 0.000 1.068 145 A CA 0.756 52.548 52.037 -0.409 0.000 0.766 145 A CB -0.918 17.704 19.000 -0.630 0.000 1.003 145 A HN 1.668 nan 8.150 nan 0.000 0.497 146 W N -1.243 120.167 121.300 0.183 0.000 2.279 146 W HA -0.188 4.472 4.660 -0.000 0.000 0.275 146 W C 0.375 177.067 176.519 0.289 0.000 1.083 146 W CA 0.673 58.138 57.345 0.200 0.000 0.504 146 W CB -2.372 27.178 29.460 0.150 0.000 2.112 146 W HN 0.885 nan 8.180 nan 0.000 1.261 147 H N 0.351 119.530 119.070 0.182 0.000 2.496 147 H HA 0.464 5.019 4.556 -0.000 0.000 0.342 147 H C 0.238 175.496 175.328 -0.117 0.000 1.170 147 H CA -0.877 55.153 56.048 -0.030 0.000 1.274 147 H CB 1.222 30.863 29.762 -0.202 0.000 1.538 147 H HN -0.053 nan 8.280 nan 0.000 0.542 148 E N 1.215 121.313 120.200 -0.170 0.000 2.191 148 E HA 0.238 4.588 4.350 -0.000 0.000 0.278 148 E C -1.297 175.066 176.600 -0.395 0.000 0.972 148 E CA -0.447 55.875 56.400 -0.130 0.000 0.804 148 E CB 1.283 30.947 29.700 -0.060 0.000 1.110 148 E HN 0.369 nan 8.360 nan 0.000 0.394 149 Y N 0.325 120.649 120.300 0.041 0.000 2.462 149 Y HA 0.354 4.904 4.550 -0.000 0.000 0.346 149 Y C 0.327 176.224 175.900 -0.006 0.000 0.976 149 Y CA -0.699 57.410 58.100 0.014 0.000 1.044 149 Y CB 2.264 40.727 38.460 0.006 0.000 1.230 149 Y HN 0.454 nan 8.280 nan 0.000 0.455 150 T N -1.176 113.441 114.554 0.105 0.000 2.901 150 T HA 0.851 5.201 4.350 -0.000 0.000 0.293 150 T C -1.337 173.361 174.700 -0.003 0.000 1.084 150 T CA -0.871 61.259 62.100 0.050 0.000 1.008 150 T CB 1.514 70.394 68.868 0.021 0.000 1.170 150 T HN 0.320 nan 8.240 nan 0.000 0.509 151 V N 1.431 121.342 119.914 -0.006 0.000 2.555 151 V HA 0.629 4.749 4.120 -0.000 0.000 0.302 151 V C -0.174 175.927 176.094 0.011 0.000 1.038 151 V CA -0.839 61.419 62.300 -0.070 0.000 0.887 151 V CB 2.065 33.821 31.823 -0.111 0.000 0.991 151 V HN 1.088 nan 8.190 nan 0.000 0.434 152 S N 5.079 120.746 115.700 -0.056 0.000 2.438 152 S HA 0.767 5.237 4.470 -0.000 0.000 0.316 152 S C -0.652 173.877 174.600 -0.118 0.000 1.084 152 S CA -0.454 57.694 58.200 -0.087 0.000 1.107 152 S CB 0.458 63.563 63.200 -0.159 0.000 0.981 152 S HN 0.609 nan 8.310 nan 0.000 0.466 153 F N 0.650 120.309 119.950 -0.484 0.000 2.593 153 F HA 0.753 5.280 4.527 -0.000 0.000 0.320 153 F C -1.013 174.337 175.800 -0.751 0.000 1.060 153 F CA -1.617 55.644 58.000 -1.231 0.000 0.940 153 F CB 0.690 38.446 39.000 -2.073 0.000 1.268 153 F HN 0.225 nan 8.300 nan 0.000 0.475 154 L N 2.626 123.443 121.223 -0.676 0.000 2.397 154 L HA 0.684 5.024 4.340 -0.000 0.000 0.271 154 L C 0.095 176.746 176.870 -0.365 0.000 1.148 154 L CA -0.596 53.877 54.840 -0.613 0.000 0.825 154 L CB 1.203 42.987 42.059 -0.458 0.000 1.117 154 L HN 0.946 nan 8.230 nan 0.000 0.456 155 A N 2.551 125.097 122.820 -0.457 0.000 2.414 155 A HA 0.644 4.964 4.320 -0.000 0.000 0.306 155 A C -1.421 176.014 177.584 -0.248 0.000 1.054 155 A CA -0.518 51.366 52.037 -0.256 0.000 0.724 155 A CB 0.785 19.619 19.000 -0.276 0.000 1.267 155 A HN 0.475 nan 8.150 nan 0.000 0.418 156 Y N 1.140 121.424 120.300 -0.026 0.000 2.359 156 Y HA 0.345 4.895 4.550 -0.000 0.000 0.330 156 Y C 0.536 176.435 175.900 -0.002 0.000 1.143 156 Y CA 0.209 58.306 58.100 -0.005 0.000 1.318 156 Y CB 0.625 39.097 38.460 0.021 0.000 1.234 156 Y HN 0.442 nan 8.280 nan 0.000 0.522 157 I N 5.848 126.525 120.570 0.178 0.000 2.281 157 I HA 0.109 4.279 4.170 -0.000 0.000 0.293 157 I C 0.960 177.169 176.117 0.153 0.000 1.085 157 I CA 0.048 61.423 61.300 0.125 0.000 1.257 157 I CB 0.308 38.360 38.000 0.087 0.000 1.430 157 I HN 0.655 nan 8.210 nan 0.000 0.489 158 I N 2.771 123.429 120.570 0.146 0.000 3.875 158 I HA 0.258 4.428 4.170 -0.000 0.000 0.329 158 I C -0.245 175.981 176.117 0.182 0.000 1.295 158 I CA 0.115 61.488 61.300 0.120 0.000 1.129 158 I CB 0.196 38.233 38.000 0.060 0.000 1.008 158 I HN 0.463 nan 8.210 nan 0.000 0.413 159 W N 2.653 123.934 121.300 -0.032 0.000 3.132 159 W HA 0.354 5.013 4.660 -0.000 0.000 0.337 159 W C -1.256 175.216 176.519 -0.077 0.000 1.082 159 W CA -1.872 55.433 57.345 -0.067 0.000 1.242 159 W CB 1.189 30.557 29.460 -0.153 0.000 1.354 159 W HN 0.010 nan 8.180 nan 0.000 0.461 160 D N 7.034 127.598 120.400 0.273 0.000 2.451 160 D HA 0.071 4.711 4.640 -0.000 0.000 0.254 160 D C -1.388 174.790 176.300 -0.205 0.000 1.204 160 D CA -0.365 53.643 54.000 0.013 0.000 0.896 160 D CB 1.687 42.498 40.800 0.018 0.000 1.136 160 D HN 0.010 nan 8.370 nan 0.000 0.499 161 P HA -0.206 nan 4.420 nan 0.000 0.215 161 P C 1.405 178.508 177.300 -0.329 0.000 1.157 161 P CA 0.602 63.513 63.100 -0.316 0.000 0.874 161 P CB 0.218 31.779 31.700 -0.233 0.000 0.790 162 V N -0.023 119.749 119.914 -0.237 0.000 2.307 162 V HA -0.191 3.929 4.120 -0.000 0.000 0.245 162 V C 2.519 178.546 176.094 -0.113 0.000 1.045 162 V CA 1.702 63.911 62.300 -0.151 0.000 1.024 162 V CB -1.022 30.735 31.823 -0.111 0.000 0.651 162 V HN 0.161 nan 8.190 nan 0.000 0.449 163 E N -0.059 120.071 120.200 -0.116 0.000 2.077 163 E HA -0.258 4.091 4.350 -0.000 0.000 0.193 163 E C 2.209 178.768 176.600 -0.067 0.000 0.989 163 E CA 1.765 58.169 56.400 0.006 0.000 0.800 163 E CB -0.207 29.556 29.700 0.104 0.000 0.746 163 E HN 0.564 nan 8.360 nan 0.000 0.452 164 M N -0.218 119.077 119.600 -0.509 0.000 2.106 164 M HA -0.258 4.222 4.480 -0.000 0.000 0.259 164 M C 2.301 178.162 176.300 -0.732 0.000 1.068 164 M CA 1.827 56.396 55.300 -1.219 0.000 1.100 164 M CB -0.421 30.988 32.600 -1.985 0.000 1.351 164 M HN 0.167 nan 8.290 nan 0.000 0.404 165 Y N 1.097 121.025 120.300 -0.621 0.000 2.145 165 Y HA -0.275 4.274 4.550 -0.000 0.000 0.286 165 Y C 1.649 177.323 175.900 -0.377 0.000 1.145 165 Y CA 2.585 60.416 58.100 -0.449 0.000 1.148 165 Y CB -0.694 37.606 38.460 -0.266 0.000 0.981 165 Y HN 0.431 nan 8.280 nan 0.000 0.507 166 N N -1.324 117.135 118.700 -0.400 0.000 2.166 166 N HA -0.208 4.532 4.740 -0.000 0.000 0.186 166 N C 1.703 176.532 175.510 -1.135 0.000 1.019 166 N CA 1.165 53.792 53.050 -0.705 0.000 0.856 166 N CB -0.404 37.793 38.487 -0.484 0.000 0.993 166 N HN 0.524 nan 8.380 nan 0.000 0.426 167 H N 0.790 119.356 119.070 -0.839 0.000 2.290 167 H HA -0.031 4.525 4.556 -0.000 0.000 0.298 167 H C 1.881 176.936 175.328 -0.454 0.000 1.087 167 H CA 1.545 57.287 56.048 -0.511 0.000 1.291 167 H CB -0.073 29.828 29.762 0.232 0.000 1.369 167 H HN 0.101 nan 8.280 nan 0.000 0.492 168 L N -0.534 120.577 121.223 -0.187 0.000 2.093 168 L HA -0.146 4.194 4.340 -0.000 0.000 0.208 168 L C 2.502 179.192 176.870 -0.300 0.000 1.085 168 L CA 1.497 56.240 54.840 -0.161 0.000 0.755 168 L CB -0.394 41.535 42.059 -0.216 0.000 0.904 168 L HN 0.404 nan 8.230 nan 0.000 0.435 169 T N -0.634 113.599 114.554 -0.534 0.000 2.770 169 T HA -0.123 4.227 4.350 -0.000 0.000 0.263 169 T C 1.428 175.909 174.700 -0.365 0.000 1.039 169 T CA 1.556 63.356 62.100 -0.500 0.000 1.142 169 T CB -0.299 68.098 68.868 -0.786 0.000 0.868 169 T HN 0.386 nan 8.240 nan 0.000 0.435 170 N N 1.097 119.463 118.700 -0.556 0.000 2.461 170 N HA 0.028 4.767 4.740 -0.000 0.000 0.188 170 N C -0.283 175.058 175.510 -0.282 0.000 1.134 170 N CA -0.006 52.791 53.050 -0.420 0.000 0.878 170 N CB 0.071 38.158 38.487 -0.666 0.000 0.972 170 N HN 0.163 nan 8.380 nan 0.000 0.456 171 D N -0.164 120.071 120.400 -0.274 0.000 3.142 171 D HA -0.184 4.456 4.640 -0.000 0.000 0.221 171 D C -0.576 175.692 176.300 -0.054 0.000 1.193 171 D CA 0.283 54.212 54.000 -0.118 0.000 0.900 171 D CB -0.604 40.189 40.800 -0.011 0.000 0.886 171 D HN 0.368 nan 8.370 nan 0.000 0.399 172 W N 2.459 123.526 121.300 -0.389 0.000 3.345 172 W HA 0.316 4.976 4.660 -0.000 0.000 0.282 172 W C 1.980 178.315 176.519 -0.307 0.000 1.302 172 W CA 0.439 57.520 57.345 -0.440 0.000 1.724 172 W CB -0.755 28.347 29.460 -0.598 0.000 1.104 172 W HN 0.655 nan 8.180 nan 0.000 0.694 173 G N 2.349 111.187 108.800 0.063 0.000 2.620 173 G HA2 -0.428 3.532 3.960 -0.000 0.000 0.315 173 G HA3 -0.428 3.532 3.960 -0.000 0.000 0.315 173 G C 0.853 175.958 174.900 0.341 0.000 1.179 173 G CA 1.226 46.444 45.100 0.196 0.000 0.971 173 G HN 0.314 nan 8.290 nan 0.000 0.544 174 D N 1.509 122.045 120.400 0.227 0.000 2.395 174 D HA 0.119 4.759 4.640 -0.000 0.000 0.213 174 D C 0.868 177.260 176.300 0.153 0.000 1.110 174 D CA 0.462 54.575 54.000 0.187 0.000 0.835 174 D CB -0.072 40.776 40.800 0.081 0.000 0.965 174 D HN 0.686 nan 8.370 nan 0.000 0.505 175 K N 1.663 122.195 120.400 0.219 0.000 2.569 175 K HA -0.136 4.184 4.320 -0.000 0.000 0.280 175 K C 0.277 176.984 176.600 0.179 0.000 0.984 175 K CA 0.122 56.509 56.287 0.168 0.000 1.064 175 K CB 0.424 33.016 32.500 0.152 0.000 0.866 175 K HN 0.060 nan 8.250 nan 0.000 0.492 176 E N 2.979 123.188 120.200 0.016 0.000 2.465 176 E HA -0.082 4.268 4.350 -0.000 0.000 0.260 176 E C -0.736 175.849 176.600 -0.024 0.000 0.980 176 E CA 0.276 56.614 56.400 -0.103 0.000 0.927 176 E CB 0.297 29.939 29.700 -0.096 0.000 0.934 176 E HN 0.530 nan 8.360 nan 0.000 0.459 177 H N 3.477 122.335 119.070 -0.354 0.000 2.742 177 H HA 0.071 4.627 4.556 -0.000 0.000 0.302 177 H C -0.206 174.943 175.328 -0.297 0.000 1.069 177 H CA -0.758 54.908 56.048 -0.636 0.000 1.446 177 H CB 0.594 29.383 29.762 -1.623 0.000 1.462 177 H HN 0.340 nan 8.280 nan 0.000 0.499 178 E N 4.207 124.471 120.200 0.106 0.000 2.406 178 E HA 0.007 4.357 4.350 -0.000 0.000 0.258 178 E C 0.149 176.847 176.600 0.163 0.000 1.043 178 E CA 0.225 56.704 56.400 0.133 0.000 0.929 178 E CB 0.849 30.637 29.700 0.147 0.000 0.969 178 E HN 0.478 nan 8.360 nan 0.000 0.462 179 I N 6.305 126.945 120.570 0.116 0.000 2.395 179 I HA 0.149 4.319 4.170 -0.000 0.000 0.289 179 I C -1.865 174.321 176.117 0.116 0.000 1.023 179 I CA -1.962 59.419 61.300 0.134 0.000 1.350 179 I CB 0.879 38.947 38.000 0.113 0.000 1.409 179 I HN 0.167 nan 8.210 nan 0.000 0.507 180 P HA 0.368 nan 4.420 nan 0.000 0.282 180 P C -1.256 176.060 177.300 0.027 0.000 1.259 180 P CA -0.240 62.785 63.100 -0.125 0.000 0.826 180 P CB 0.979 32.657 31.700 -0.037 0.000 1.064 181 F N -1.218 118.861 119.950 0.215 0.000 2.611 181 F HA 0.683 5.210 4.527 -0.000 0.000 0.324 181 F C -0.405 175.537 175.800 0.238 0.000 1.061 181 F CA -1.266 56.889 58.000 0.257 0.000 0.954 181 F CB 0.946 40.155 39.000 0.348 0.000 1.301 181 F HN 0.059 nan 8.300 nan 0.000 0.482 182 D N 1.560 122.268 120.400 0.513 0.000 2.440 182 D HA 0.283 4.923 4.640 -0.000 0.000 0.239 182 D C 0.559 177.086 176.300 0.379 0.000 1.084 182 D CA -0.596 53.630 54.000 0.376 0.000 0.843 182 D CB 1.260 42.320 40.800 0.435 0.000 1.097 182 D HN 0.679 nan 8.370 nan 0.000 0.531 183 I N 1.458 122.170 120.570 0.237 0.000 3.241 183 I HA -0.020 4.150 4.170 -0.000 0.000 0.280 183 I C 1.212 177.484 176.117 0.259 0.000 1.320 183 I CA 0.301 61.702 61.300 0.169 0.000 1.413 183 I CB -0.393 37.523 38.000 -0.140 0.000 1.060 183 I HN 0.272 nan 8.210 nan 0.000 0.500 184 Y N 1.950 122.303 120.300 0.088 0.000 2.333 184 Y HA -0.081 4.469 4.550 -0.000 0.000 0.290 184 Y C 1.367 177.125 175.900 -0.237 0.000 1.144 184 Y CA 0.950 58.907 58.100 -0.238 0.000 1.228 184 Y CB -0.111 38.078 38.460 -0.452 0.000 0.985 184 Y HN 0.305 nan 8.280 nan 0.000 0.542 185 H N 1.396 120.588 119.070 0.203 0.000 2.620 185 H HA 0.092 4.648 4.556 -0.000 0.000 0.313 185 H C -1.562 173.824 175.328 0.096 0.000 1.075 185 H CA -1.979 54.153 56.048 0.140 0.000 1.397 185 H CB 0.834 30.711 29.762 0.192 0.000 1.446 185 H HN 0.139 nan 8.280 nan 0.000 0.493 186 P HA -0.194 nan 4.420 nan 0.000 0.216 186 P C 1.359 178.733 177.300 0.123 0.000 1.153 186 P CA 1.605 64.761 63.100 0.093 0.000 0.858 186 P CB 0.150 31.887 31.700 0.062 0.000 0.789 187 A N -0.261 122.652 122.820 0.155 0.000 1.883 187 A HA -0.180 4.140 4.320 -0.000 0.000 0.217 187 A C 2.401 180.123 177.584 0.229 0.000 1.186 187 A CA 2.705 54.852 52.037 0.182 0.000 0.624 187 A CB -1.953 17.121 19.000 0.123 0.000 0.822 187 A HN 0.193 nan 8.150 nan 0.000 0.444 188 T N -0.931 113.826 114.554 0.339 0.000 2.746 188 T HA -0.139 4.210 4.350 -0.000 0.000 0.267 188 T C 2.062 176.785 174.700 0.040 0.000 1.039 188 T CA 1.446 63.699 62.100 0.255 0.000 1.142 188 T CB -0.237 68.919 68.868 0.479 0.000 0.866 188 T HN 0.534 nan 8.240 nan 0.000 0.444 189 R N 1.118 121.675 120.500 0.094 0.000 2.080 189 R HA -0.120 4.220 4.340 -0.000 0.000 0.236 189 R C 2.512 178.844 176.300 0.052 0.000 1.137 189 R CA 1.759 57.883 56.100 0.040 0.000 0.943 189 R CB -0.203 30.168 30.300 0.118 0.000 0.846 189 R HN 0.263 nan 8.270 nan 0.000 0.431 190 K N -0.400 120.041 120.400 0.068 0.000 2.044 190 K HA -0.229 4.091 4.320 -0.000 0.000 0.210 190 K C 2.004 178.553 176.600 -0.086 0.000 1.049 190 K CA 1.929 58.244 56.287 0.048 0.000 0.927 190 K CB -0.352 32.165 32.500 0.029 0.000 0.713 190 K HN 0.172 nan 8.250 nan 0.000 0.443 191 F N 1.143 120.822 119.950 -0.451 0.000 2.126 191 F HA -0.219 4.307 4.527 -0.000 0.000 0.299 191 F C 1.807 177.329 175.800 -0.463 0.000 1.096 191 F CA 1.348 58.913 58.000 -0.724 0.000 1.255 191 F CB -0.253 37.709 39.000 -1.730 0.000 0.997 191 F HN -0.182 nan 8.300 nan 0.000 0.479 192 V N -0.256 119.414 119.914 -0.407 0.000 2.358 192 V HA -0.278 3.842 4.120 -0.000 0.000 0.246 192 V C 2.236 178.153 176.094 -0.294 0.000 1.047 192 V CA 1.887 63.970 62.300 -0.361 0.000 1.035 192 V CB -0.912 30.786 31.823 -0.208 0.000 0.658 192 V HN 0.250 nan 8.190 nan 0.000 0.452 193 F N 0.741 120.640 119.950 -0.085 0.000 2.113 193 F HA -0.111 4.416 4.527 -0.000 0.000 0.297 193 F C 2.284 178.063 175.800 -0.036 0.000 1.103 193 F CA 1.542 59.539 58.000 -0.005 0.000 1.248 193 F CB -0.882 38.106 39.000 -0.021 0.000 0.999 193 F HN 0.185 nan 8.300 nan 0.000 0.475 194 D N -0.334 120.083 120.400 0.028 0.000 2.133 194 D HA -0.171 4.469 4.640 -0.000 0.000 0.192 194 D C 2.270 178.489 176.300 -0.135 0.000 1.001 194 D CA 2.139 56.092 54.000 -0.078 0.000 0.844 194 D CB -0.861 39.845 40.800 -0.156 0.000 0.944 194 D HN 0.193 nan 8.370 nan 0.000 0.447 195 T N 0.125 114.481 114.554 -0.331 0.000 2.746 195 T HA -0.141 4.208 4.350 -0.000 0.000 0.267 195 T C 1.698 176.457 174.700 0.098 0.000 1.039 195 T CA 0.695 62.626 62.100 -0.281 0.000 1.142 195 T CB -0.436 68.017 68.868 -0.692 0.000 0.866 195 T HN 0.106 nan 8.240 nan 0.000 0.444 196 F N 1.981 121.924 119.950 -0.011 0.000 2.146 196 F HA 0.010 4.537 4.527 -0.000 0.000 0.298 196 F C 2.361 178.231 175.800 0.117 0.000 1.096 196 F CA 1.254 59.272 58.000 0.031 0.000 1.275 196 F CB -0.435 38.511 39.000 -0.090 0.000 1.008 196 F HN 0.184 nan 8.300 nan 0.000 0.480 197 E N -0.187 120.019 120.200 0.010 0.000 2.033 197 E HA -0.375 3.975 4.350 -0.000 0.000 0.199 197 E C 2.267 178.822 176.600 -0.075 0.000 1.011 197 E CA 1.807 58.162 56.400 -0.076 0.000 0.815 197 E CB -0.353 29.349 29.700 0.003 0.000 0.755 197 E HN 0.403 nan 8.360 nan 0.000 0.451 198 Q N 0.152 119.946 119.800 -0.010 0.000 2.061 198 Q HA -0.201 4.139 4.340 -0.000 0.000 0.204 198 Q C 1.678 177.697 176.000 0.031 0.000 0.984 198 Q CA 2.317 58.123 55.803 0.005 0.000 0.846 198 Q CB -0.883 27.870 28.738 0.024 0.000 0.902 198 Q HN 0.557 nan 8.270 nan 0.000 0.421 199 W N 0.296 121.555 121.300 -0.069 0.000 2.318 199 W HA -0.252 4.408 4.660 -0.000 0.000 0.313 199 W C 1.652 178.082 176.519 -0.149 0.000 1.221 199 W CA 2.035 59.363 57.345 -0.027 0.000 1.266 199 W CB -0.439 29.109 29.460 0.146 0.000 1.150 199 W HN 0.239 nan 8.180 nan 0.000 0.496 200 L N 0.642 121.794 121.223 -0.119 0.000 2.013 200 L HA -0.317 4.023 4.340 -0.000 0.000 0.212 200 L C 2.657 179.338 176.870 -0.315 0.000 1.073 200 L CA 1.954 56.601 54.840 -0.320 0.000 0.753 200 L CB -0.974 40.865 42.059 -0.367 0.000 0.890 200 L HN -0.024 nan 8.230 nan 0.000 0.432 201 K N -0.293 119.978 120.400 -0.215 0.000 2.103 201 K HA -0.171 4.149 4.320 -0.000 0.000 0.207 201 K C 1.149 177.632 176.600 -0.195 0.000 1.048 201 K CA 1.305 57.492 56.287 -0.166 0.000 0.930 201 K CB -0.206 32.231 32.500 -0.105 0.000 0.716 201 K HN 0.377 nan 8.250 nan 0.000 0.444 202 D N 0.008 120.259 120.400 -0.249 0.000 2.328 202 D HA 0.022 4.662 4.640 -0.000 0.000 0.226 202 D C 0.015 176.082 176.300 -0.387 0.000 1.066 202 D CA 0.445 54.292 54.000 -0.254 0.000 0.861 202 D CB 0.575 41.264 40.800 -0.185 0.000 0.912 202 D HN -0.083 nan 8.370 nan 0.000 0.521 203 S N 1.218 116.606 115.700 -0.520 0.000 2.558 203 S HA 0.139 4.609 4.470 -0.000 0.000 0.238 203 S C -1.605 172.774 174.600 -0.369 0.000 1.183 203 S CA -0.783 57.048 58.200 -0.615 0.000 1.185 203 S CB 1.368 63.783 63.200 -1.307 0.000 1.003 203 S HN 0.145 nan 8.310 nan 0.000 0.478 204 P HA -0.201 nan 4.420 nan 0.000 0.218 204 P C 1.586 178.820 177.300 -0.109 0.000 1.149 204 P CA 1.199 64.208 63.100 -0.151 0.000 0.817 204 P CB 0.127 31.760 31.700 -0.112 0.000 0.785 205 Q N 0.191 119.928 119.800 -0.104 0.000 2.297 205 Q HA -0.024 4.316 4.340 -0.000 0.000 0.204 205 Q C 0.311 176.291 176.000 -0.034 0.000 0.962 205 Q CA 1.048 56.818 55.803 -0.056 0.000 0.879 205 Q CB -1.942 26.771 28.738 -0.042 0.000 0.947 205 Q HN 0.086 nan 8.270 nan 0.000 0.462 206 T N 3.262 117.776 114.554 -0.066 0.000 2.853 206 T HA 0.049 4.399 4.350 -0.000 0.000 0.298 206 T C 0.227 174.940 174.700 0.021 0.000 0.978 206 T CA 0.144 62.241 62.100 -0.005 0.000 1.152 206 T CB 0.764 69.616 68.868 -0.026 0.000 0.914 206 T HN 0.243 nan 8.240 nan 0.000 0.539 207 D N 1.777 122.218 120.400 0.068 0.000 2.323 207 D HA 0.088 4.727 4.640 -0.000 0.000 0.218 207 D C 0.278 176.608 176.300 0.049 0.000 0.973 207 D CA 0.650 54.691 54.000 0.069 0.000 0.890 207 D CB 0.649 41.511 40.800 0.103 0.000 1.011 207 D HN 0.263 nan 8.370 nan 0.000 0.499 208 V N 2.366 122.286 119.914 0.009 0.000 2.482 208 V HA 0.172 4.291 4.120 -0.000 0.000 0.295 208 V C -0.035 175.972 176.094 -0.145 0.000 1.026 208 V CA -0.775 61.441 62.300 -0.141 0.000 0.856 208 V CB 2.422 33.940 31.823 -0.508 0.000 1.001 208 V HN -0.189 nan 8.190 nan 0.000 0.424 209 V N 5.477 125.313 119.914 -0.130 0.000 2.415 209 V HA 0.293 4.413 4.120 -0.000 0.000 0.267 209 V C 0.732 176.557 176.094 -0.448 0.000 1.042 209 V CA -0.224 61.901 62.300 -0.293 0.000 1.000 209 V CB 0.556 32.147 31.823 -0.387 0.000 1.015 209 V HN 0.804 nan 8.190 nan 0.000 0.478 210 R N 5.006 125.250 120.500 -0.426 0.000 2.565 210 R HA 0.323 4.663 4.340 -0.000 0.000 0.286 210 R C -0.853 175.197 176.300 -0.418 0.000 1.256 210 R CA -0.568 55.337 56.100 -0.324 0.000 1.238 210 R CB 0.031 30.221 30.300 -0.183 0.000 1.153 210 R HN 0.537 nan 8.270 nan 0.000 0.553 211 F N 1.968 121.733 119.950 -0.308 0.000 2.533 211 F HA 0.056 4.583 4.527 -0.000 0.000 0.378 211 F C 0.785 176.317 175.800 -0.447 0.000 1.070 211 F CA 0.723 58.425 58.000 -0.497 0.000 1.172 211 F CB 1.261 39.761 39.000 -0.834 0.000 1.085 211 F HN 0.268 nan 8.300 nan 0.000 0.552 212 T N 2.120 116.546 114.554 -0.214 0.000 3.504 212 T HA 0.254 4.604 4.350 -0.000 0.000 0.286 212 T C 0.474 175.231 174.700 0.095 0.000 1.530 212 T CA -0.348 61.729 62.100 -0.039 0.000 1.652 212 T CB 0.515 69.322 68.868 -0.102 0.000 0.895 212 T HN 0.624 nan 8.240 nan 0.000 0.674 213 T N -0.139 114.416 114.554 0.001 0.000 3.364 213 T HA 0.509 4.859 4.350 -0.000 0.000 0.179 213 T C -0.072 174.211 174.700 -0.695 0.000 0.939 213 T CA 0.113 62.069 62.100 -0.240 0.000 1.094 213 T CB 0.256 69.142 68.868 0.030 0.000 1.532 213 T HN 0.218 nan 8.240 nan 0.000 0.346 214 F N -0.839 118.993 119.950 -0.197 0.000 2.061 214 F HA 0.520 5.047 4.527 -0.000 0.000 0.207 214 F C 0.690 176.130 175.800 -0.600 0.000 1.294 214 F CA -0.783 56.791 58.000 -0.710 0.000 1.246 214 F CB -0.073 38.315 39.000 -1.020 0.000 1.941 214 F HN 0.089 nan 8.300 nan 0.000 0.128 215 F N -1.660 118.364 119.950 0.123 0.000 2.694 215 F HA 0.292 4.819 4.527 -0.000 0.000 0.292 215 F C -0.708 174.787 175.800 -0.508 0.000 1.121 215 F CA -0.554 57.310 58.000 -0.226 0.000 1.352 215 F CB -0.164 38.639 39.000 -0.329 0.000 1.107 215 F HN -0.097 nan 8.300 nan 0.000 0.597 216 Y N 0.602 121.058 120.300 0.261 0.000 2.331 216 Y HA 0.457 5.007 4.550 -0.000 0.000 0.326 216 Y C -0.058 175.909 175.900 0.110 0.000 1.020 216 Y CA -1.858 56.350 58.100 0.180 0.000 1.136 216 Y CB 1.056 39.624 38.460 0.181 0.000 1.157 216 Y HN -0.227 nan 8.280 nan 0.000 0.444 217 Q N 3.632 123.547 119.800 0.191 0.000 2.330 217 Q HA 0.205 4.545 4.340 -0.000 0.000 0.279 217 Q C -0.618 175.419 176.000 0.063 0.000 1.024 217 Q CA -0.364 55.464 55.803 0.041 0.000 0.900 217 Q CB 0.202 28.891 28.738 -0.082 0.000 1.221 217 Q HN 0.459 nan 8.270 nan 0.000 0.396 218 F N 0.795 120.830 119.950 0.141 0.000 2.553 218 F HA 0.292 4.819 4.527 -0.000 0.000 0.356 218 F C 0.369 176.235 175.800 0.110 0.000 1.142 218 F CA -0.827 57.233 58.000 0.101 0.000 1.322 218 F CB -0.356 38.720 39.000 0.128 0.000 1.126 218 F HN 0.392 nan 8.300 nan 0.000 0.599 219 T N 4.860 119.611 114.554 0.329 0.000 2.800 219 T HA 0.253 4.602 4.350 -0.000 0.000 0.283 219 T C -0.422 174.412 174.700 0.222 0.000 0.999 219 T CA 0.418 62.644 62.100 0.209 0.000 1.176 219 T CB -0.180 68.810 68.868 0.203 0.000 0.973 219 T HN 0.658 nan 8.240 nan 0.000 0.519 220 L N 5.887 127.157 121.223 0.078 0.000 2.673 220 L HA 0.443 4.783 4.340 -0.000 0.000 0.255 220 L C -1.535 175.419 176.870 0.140 0.000 1.015 220 L CA -0.118 54.781 54.840 0.099 0.000 0.930 220 L CB 0.600 42.618 42.059 -0.068 0.000 1.185 220 L HN 0.564 nan 8.230 nan 0.000 0.457 221 L N 3.080 124.406 121.223 0.173 0.000 2.354 221 L HA 0.656 4.996 4.340 -0.000 0.000 0.269 221 L C -0.913 176.159 176.870 0.338 0.000 1.005 221 L CA -0.638 54.344 54.840 0.236 0.000 0.819 221 L CB 2.034 44.160 42.059 0.111 0.000 1.311 221 L HN 0.248 nan 8.230 nan 0.000 0.423 222 F N 0.235 120.253 119.950 0.115 0.000 2.556 222 F HA 0.408 4.935 4.527 -0.000 0.000 0.327 222 F C 0.231 176.121 175.800 0.150 0.000 1.059 222 F CA -0.851 57.199 58.000 0.083 0.000 0.953 222 F CB 1.679 40.707 39.000 0.047 0.000 1.227 222 F HN 0.553 nan 8.300 nan 0.000 0.478 223 D N -0.124 120.325 120.400 0.083 0.000 2.529 223 D HA 0.129 4.769 4.640 -0.000 0.000 0.273 223 D C 0.800 177.164 176.300 0.107 0.000 1.197 223 D CA -0.412 53.613 54.000 0.042 0.000 1.070 223 D CB 0.191 40.928 40.800 -0.106 0.000 1.134 223 D HN 0.545 nan 8.370 nan 0.000 0.590 224 E N 0.038 120.293 120.200 0.092 0.000 2.401 224 E HA -0.213 4.137 4.350 -0.000 0.000 0.199 224 E C 0.327 176.972 176.600 0.075 0.000 1.023 224 E CA 0.971 57.463 56.400 0.154 0.000 0.859 224 E CB -0.270 29.496 29.700 0.110 0.000 0.780 224 E HN 0.542 nan 8.360 nan 0.000 0.523 225 K N 0.610 120.993 120.400 -0.028 0.000 2.440 225 K HA 0.251 4.571 4.320 -0.000 0.000 0.206 225 K C -0.222 176.283 176.600 -0.159 0.000 1.025 225 K CA -0.227 56.022 56.287 -0.063 0.000 1.135 225 K CB 0.487 32.956 32.500 -0.053 0.000 0.856 225 K HN 0.011 nan 8.250 nan 0.000 0.502 226 R N 0.450 120.751 120.500 -0.333 0.000 3.878 226 R HA -0.179 4.160 4.340 -0.000 0.000 0.330 226 R C -0.532 175.696 176.300 -0.120 0.000 1.186 226 R CA 0.714 56.504 56.100 -0.518 0.000 0.885 226 R CB -1.893 28.132 30.300 -0.458 0.000 1.377 226 R HN 0.214 nan 8.270 nan 0.000 0.523 227 R N 1.078 121.443 120.500 -0.225 0.000 2.674 227 R HA 0.292 4.632 4.340 -0.000 0.000 0.266 227 R C 0.081 175.743 176.300 -1.062 0.000 1.016 227 R CA -0.981 54.870 56.100 -0.415 0.000 1.062 227 R CB 0.856 30.994 30.300 -0.270 0.000 1.142 227 R HN 0.106 nan 8.270 nan 0.000 0.517 228 E N 1.852 121.298 120.200 -1.257 0.000 2.417 228 E HA -0.106 4.244 4.350 -0.000 0.000 0.261 228 E C 0.136 176.405 176.600 -0.552 0.000 1.000 228 E CA 0.386 56.065 56.400 -1.203 0.000 0.919 228 E CB 0.770 30.090 29.700 -0.634 0.000 0.955 228 E HN 0.416 nan 8.360 nan 0.000 0.455 229 K N 2.848 123.015 120.400 -0.388 0.000 2.286 229 K HA 0.129 4.449 4.320 -0.000 0.000 0.203 229 K C -0.471 176.046 176.600 -0.140 0.000 1.078 229 K CA 0.356 56.523 56.287 -0.199 0.000 0.957 229 K CB 0.832 33.266 32.500 -0.111 0.000 1.018 229 K HN 0.352 nan 8.250 nan 0.000 0.484 230 V N 1.456 121.297 119.914 -0.122 0.000 2.668 230 V HA 0.418 4.538 4.120 -0.000 0.000 0.304 230 V C -1.365 174.712 176.094 -0.030 0.000 1.071 230 V CA -0.965 61.261 62.300 -0.123 0.000 0.894 230 V CB 1.702 33.323 31.823 -0.337 0.000 1.008 230 V HN -0.066 nan 8.190 nan 0.000 0.425 231 V N 3.368 123.301 119.914 0.031 0.000 2.733 231 V HA 0.768 4.887 4.120 -0.000 0.000 0.306 231 V C -1.970 174.229 176.094 0.176 0.000 1.084 231 V CA -0.132 62.253 62.300 0.142 0.000 0.905 231 V CB 2.234 34.144 31.823 0.145 0.000 1.010 231 V HN 1.017 nan 8.190 nan 0.000 0.424 232 D N 4.592 125.148 120.400 0.260 0.000 2.616 232 D HA 0.156 4.796 4.640 -0.000 0.000 0.238 232 D C 0.148 176.564 176.300 0.193 0.000 1.354 232 D CA -0.452 53.699 54.000 0.252 0.000 0.970 232 D CB 1.333 42.310 40.800 0.295 0.000 1.369 232 D HN 0.557 nan 8.370 nan 0.000 0.585 233 W N 4.135 125.230 121.300 -0.341 0.000 2.331 233 W HA -0.125 4.535 4.660 0.000 0.000 0.291 233 W C 0.831 177.096 176.519 -0.425 0.000 1.214 233 W CA 1.176 58.029 57.345 -0.819 0.000 1.228 233 W CB -0.237 28.616 29.460 -1.013 0.000 1.135 233 W HN 0.423 nan 8.180 nan 0.000 0.537 234 F N -0.320 119.718 119.950 0.146 0.000 2.727 234 F HA 0.402 4.929 4.527 -0.000 0.000 0.302 234 F C 1.708 177.477 175.800 -0.053 0.000 1.097 234 F CA 0.021 57.978 58.000 -0.071 0.000 1.330 234 F CB -1.060 37.878 39.000 -0.104 0.000 1.084 234 F HN -0.233 nan 8.300 nan 0.000 0.578 235 G N 0.214 109.148 108.800 0.225 0.000 2.442 235 G HA2 0.287 4.247 3.960 -0.000 0.000 0.249 235 G HA3 0.287 4.247 3.960 -0.000 0.000 0.249 235 G C -0.033 174.979 174.900 0.186 0.000 1.263 235 G CA -0.395 44.844 45.100 0.231 0.000 0.846 235 G HN 0.496 nan 8.290 nan 0.000 0.555 236 C N 1.707 121.129 119.300 0.203 0.000 2.534 236 C HA 0.654 5.114 4.460 -0.000 0.000 0.285 236 C C 1.858 177.000 174.990 0.254 0.000 1.505 236 C CA -0.553 58.600 59.018 0.225 0.000 1.715 236 C CB -0.644 27.259 27.740 0.272 0.000 2.935 236 C HN 0.848 nan 8.230 nan 0.000 0.540 237 A N -0.131 122.820 122.820 0.218 0.000 1.908 237 A HA -0.140 4.180 4.320 -0.000 0.000 0.218 237 A C 1.458 179.080 177.584 0.064 0.000 1.181 237 A CA 1.772 53.916 52.037 0.177 0.000 0.627 237 A CB -0.726 18.377 19.000 0.172 0.000 0.818 237 A HN 0.771 nan 8.150 nan 0.000 0.445 238 C N 0.770 120.126 119.300 0.095 0.000 2.439 238 C HA 0.408 4.868 4.460 -0.000 0.000 0.411 238 C C 1.605 176.690 174.990 0.158 0.000 1.337 238 C CA 0.511 59.581 59.018 0.086 0.000 1.716 238 C CB -1.925 25.875 27.740 0.099 0.000 2.332 238 C HN 0.702 nan 8.230 nan 0.000 0.594 239 T N -3.826 110.770 114.554 0.071 0.000 3.253 239 T HA 0.237 4.587 4.350 -0.000 0.000 0.299 239 T C 0.029 174.767 174.700 0.063 0.000 0.927 239 T CA 0.067 62.160 62.100 -0.011 0.000 0.926 239 T CB -0.501 68.352 68.868 -0.025 0.000 1.183 239 T HN 0.291 nan 8.240 nan 0.000 0.557 240 V N 0.310 120.183 119.914 -0.069 0.000 2.966 240 V HA 1.027 5.146 4.120 -0.000 0.000 0.317 240 V C -0.392 175.622 176.094 -0.133 0.000 1.070 240 V CA -0.378 61.817 62.300 -0.174 0.000 1.008 240 V CB 1.484 32.908 31.823 -0.665 0.000 1.070 240 V HN 0.845 nan 8.190 nan 0.000 0.457 241 S N 0.425 116.055 115.700 -0.116 0.000 2.578 241 S HA 0.561 5.031 4.470 -0.000 0.000 0.272 241 S C -2.629 171.942 174.600 -0.049 0.000 1.145 241 S CA -0.618 57.545 58.200 -0.062 0.000 0.835 241 S CB 1.159 64.437 63.200 0.131 0.000 1.104 241 S HN 0.460 nan 8.310 nan 0.000 0.458 242 P HA -0.081 nan 4.420 nan 0.000 0.216 242 P C 1.611 179.020 177.300 0.182 0.000 1.153 242 P CA 1.172 64.218 63.100 -0.091 0.000 0.858 242 P CB 0.035 31.512 31.700 -0.371 0.000 0.789 243 R N 0.150 120.777 120.500 0.212 0.000 2.073 243 R HA -0.053 4.287 4.340 -0.000 0.000 0.234 243 R C 2.139 178.620 176.300 0.301 0.000 1.134 243 R CA 1.964 58.240 56.100 0.293 0.000 0.952 243 R CB -1.517 29.008 30.300 0.376 0.000 0.850 243 R HN 0.069 nan 8.270 nan 0.000 0.433 244 A N 0.090 122.988 122.820 0.130 0.000 1.930 244 A HA -0.073 4.247 4.320 -0.000 0.000 0.217 244 A C 2.210 179.953 177.584 0.265 0.000 1.175 244 A CA 1.378 53.426 52.037 0.019 0.000 0.627 244 A CB -0.537 18.240 19.000 -0.372 0.000 0.815 244 A HN 0.335 nan 8.150 nan 0.000 0.443 245 L N -0.559 120.811 121.223 0.246 0.000 2.093 245 L HA -0.146 4.194 4.340 -0.000 0.000 0.208 245 L C 1.912 178.929 176.870 0.246 0.000 1.085 245 L CA 1.234 56.220 54.840 0.244 0.000 0.755 245 L CB -0.566 41.624 42.059 0.218 0.000 0.904 245 L HN 0.268 nan 8.230 nan 0.000 0.435 246 D N -0.108 120.445 120.400 0.254 0.000 2.123 246 D HA -0.151 4.489 4.640 -0.000 0.000 0.200 246 D C 1.764 178.171 176.300 0.179 0.000 0.976 246 D CA 1.032 55.157 54.000 0.209 0.000 0.831 246 D CB -0.224 40.708 40.800 0.220 0.000 0.974 246 D HN 0.237 nan 8.370 nan 0.000 0.469 247 D N 0.040 120.572 120.400 0.220 0.000 2.144 247 D HA -0.140 4.500 4.640 -0.000 0.000 0.199 247 D C 1.801 178.142 176.300 0.068 0.000 0.984 247 D CA 0.355 54.485 54.000 0.216 0.000 0.834 247 D CB -0.482 40.570 40.800 0.420 0.000 0.955 247 D HN 0.206 nan 8.370 nan 0.000 0.465 248 F N 1.732 121.523 119.950 -0.267 0.000 2.095 248 F HA -0.185 4.342 4.527 -0.000 0.000 0.298 248 F C 2.315 178.026 175.800 -0.148 0.000 1.104 248 F CA 1.711 59.418 58.000 -0.488 0.000 1.232 248 F CB -0.029 38.675 39.000 -0.494 0.000 0.987 248 F HN -0.114 nan 8.300 nan 0.000 0.475 249 E N 0.326 120.606 120.200 0.134 0.000 2.070 249 E HA -0.275 4.075 4.350 -0.000 0.000 0.197 249 E C 2.229 178.796 176.600 -0.054 0.000 1.004 249 E CA 1.182 57.599 56.400 0.030 0.000 0.805 249 E CB -0.402 29.353 29.700 0.092 0.000 0.744 249 E HN 0.497 nan 8.360 nan 0.000 0.451 250 A N 0.856 123.665 122.820 -0.017 0.000 2.019 250 A HA -0.179 4.141 4.320 -0.000 0.000 0.219 250 A C 2.089 179.622 177.584 -0.085 0.000 1.164 250 A CA 1.438 53.463 52.037 -0.021 0.000 0.644 250 A CB -0.255 18.762 19.000 0.028 0.000 0.805 250 A HN 0.106 nan 8.150 nan 0.000 0.449 251 K N -2.392 117.907 120.400 -0.167 0.000 2.313 251 K HA 0.087 4.407 4.320 -0.000 0.000 0.197 251 K C 0.941 177.210 176.600 -0.552 0.000 1.061 251 K CA 0.607 56.719 56.287 -0.291 0.000 0.980 251 K CB 0.170 32.534 32.500 -0.227 0.000 0.888 251 K HN 0.552 nan 8.250 nan 0.000 0.502 252 Y N -0.542 119.443 120.300 -0.524 0.000 2.442 252 Y HA 0.200 4.750 4.550 -0.000 0.000 0.250 252 Y C 1.168 176.961 175.900 -0.177 0.000 1.113 252 Y CA 0.501 58.305 58.100 -0.493 0.000 1.273 252 Y CB 1.202 38.987 38.460 -1.125 0.000 1.138 252 Y HN 0.288 nan 8.280 nan 0.000 0.522 253 G N 0.289 109.053 108.800 -0.060 0.000 2.147 253 G HA2 -0.311 3.648 3.960 -0.000 0.000 0.244 253 G HA3 -0.311 3.648 3.960 -0.000 0.000 0.244 253 G C -0.333 174.708 174.900 0.234 0.000 1.005 253 G CA 0.481 45.625 45.100 0.073 0.000 0.713 253 G HN 0.551 nan 8.290 nan 0.000 0.515 254 Y N -2.954 117.403 120.300 0.096 0.000 2.638 254 Y HA 0.807 5.357 4.550 -0.000 0.000 0.335 254 Y C -0.398 175.631 175.900 0.216 0.000 1.155 254 Y CA -1.852 56.326 58.100 0.129 0.000 1.046 254 Y CB 0.918 39.449 38.460 0.119 0.000 1.303 254 Y HN 0.188 nan 8.280 nan 0.000 0.460 255 R N 2.509 123.119 120.500 0.183 0.000 2.255 255 R HA 0.551 4.891 4.340 -0.000 0.000 0.326 255 R C -1.284 175.073 176.300 0.096 0.000 0.986 255 R CA -0.622 55.538 56.100 0.100 0.000 0.847 255 R CB 0.704 31.058 30.300 0.090 0.000 1.111 255 R HN 0.874 nan 8.270 nan 0.000 0.452 256 L N 5.059 126.255 121.223 -0.044 0.000 2.499 256 L HA 0.148 4.488 4.340 -0.000 0.000 0.273 256 L C 0.748 177.593 176.870 -0.043 0.000 1.195 256 L CA 0.341 55.112 54.840 -0.114 0.000 0.882 256 L CB 0.383 42.236 42.059 -0.344 0.000 1.133 256 L HN 0.555 nan 8.230 nan 0.000 0.483 257 R N 3.917 124.375 120.500 -0.070 0.000 2.560 257 R HA 0.170 4.509 4.340 -0.000 0.000 0.270 257 R C -1.545 174.618 176.300 -0.228 0.000 1.074 257 R CA -1.557 54.484 56.100 -0.098 0.000 1.140 257 R CB 0.232 30.482 30.300 -0.084 0.000 1.073 257 R HN 0.341 nan 8.270 nan 0.000 0.527 258 P HA -0.202 nan 4.420 nan 0.000 0.216 258 P C 0.785 177.797 177.300 -0.481 0.000 1.150 258 P CA 1.164 63.730 63.100 -0.890 0.000 0.837 258 P CB 0.258 31.462 31.700 -0.826 0.000 0.786 259 E N -0.042 119.979 120.200 -0.299 0.000 2.219 259 E HA -0.207 4.143 4.350 -0.000 0.000 0.198 259 E C 1.375 177.828 176.600 -0.245 0.000 0.998 259 E CA 1.277 57.540 56.400 -0.229 0.000 0.818 259 E CB -0.976 28.628 29.700 -0.159 0.000 0.741 259 E HN 0.214 nan 8.360 nan 0.000 0.477 260 D N -1.459 118.762 120.400 -0.298 0.000 2.348 260 D HA -0.087 4.553 4.640 -0.000 0.000 0.216 260 D C 0.838 176.733 176.300 -0.674 0.000 0.970 260 D CA 0.634 54.368 54.000 -0.444 0.000 0.889 260 D CB 0.073 40.574 40.800 -0.498 0.000 0.912 260 D HN 0.308 nan 8.370 nan 0.000 0.524 261 F N -0.362 119.384 119.950 -0.339 0.000 2.557 261 F HA -0.031 4.495 4.527 -0.000 0.000 0.278 261 F C 2.316 177.969 175.800 -0.244 0.000 1.051 261 F CA -0.015 57.827 58.000 -0.263 0.000 1.357 261 F CB -0.426 38.437 39.000 -0.228 0.000 1.104 261 F HN -0.194 nan 8.300 nan 0.000 0.654 262 V N -2.261 117.546 119.914 -0.178 0.000 2.667 262 V HA -0.048 4.072 4.120 -0.000 0.000 0.252 262 V C 0.767 176.594 176.094 -0.445 0.000 1.065 262 V CA 1.303 63.302 62.300 -0.501 0.000 1.083 262 V CB -0.640 30.893 31.823 -0.483 0.000 0.692 262 V HN 0.449 nan 8.190 nan 0.000 0.468 263 D N 0.765 121.011 120.400 -0.257 0.000 2.723 263 D HA -0.122 4.518 4.640 -0.000 0.000 0.236 263 D C 1.215 177.426 176.300 -0.148 0.000 1.138 263 D CA 1.533 55.431 54.000 -0.170 0.000 0.676 263 D CB -1.560 39.179 40.800 -0.103 0.000 1.069 263 D HN 1.552 nan 8.370 nan 0.000 0.430 264 G N -1.333 107.367 108.800 -0.167 0.000 2.166 264 G HA2 -0.025 3.934 3.960 -0.000 0.000 0.260 264 G HA3 -0.025 3.934 3.960 -0.000 0.000 0.260 264 G C 1.387 176.223 174.900 -0.107 0.000 0.986 264 G CA 0.968 45.997 45.100 -0.119 0.000 0.683 264 G HN 1.734 nan 8.290 nan 0.000 0.527 265 G N -2.062 106.629 108.800 -0.182 0.000 2.255 265 G HA2 0.218 4.178 3.960 -0.000 0.000 0.196 265 G HA3 0.218 4.178 3.960 -0.000 0.000 0.196 265 G C 1.256 176.179 174.900 0.039 0.000 0.998 265 G CA 1.132 46.174 45.100 -0.097 0.000 0.656 265 G HN 1.903 nan 8.290 nan 0.000 0.490 266 A N -0.386 122.441 122.820 0.011 0.000 2.123 266 A HA 0.517 4.837 4.320 -0.000 0.000 0.214 266 A C 1.305 179.045 177.584 0.259 0.000 1.152 266 A CA 1.487 53.605 52.037 0.136 0.000 0.728 266 A CB -0.404 18.652 19.000 0.093 0.000 0.814 266 A HN 1.363 nan 8.150 nan 0.000 0.464 267 Y N -0.686 119.655 120.300 0.069 0.000 3.491 267 Y HA -0.267 4.282 4.550 -0.000 0.000 0.215 267 Y C 0.542 176.508 175.900 0.110 0.000 1.219 267 Y CA 0.650 58.803 58.100 0.089 0.000 1.485 267 Y CB -2.492 36.033 38.460 0.107 0.000 1.450 267 Y HN 0.588 nan 8.280 nan 0.000 0.603 268 N N -1.510 117.295 118.700 0.175 0.000 2.735 268 N HA -0.203 4.536 4.740 -0.000 0.000 0.248 268 N C 0.280 175.946 175.510 0.260 0.000 1.083 268 N CA 1.160 54.313 53.050 0.173 0.000 0.703 268 N CB -1.075 37.488 38.487 0.127 0.000 1.005 268 N HN 0.624 nan 8.380 nan 0.000 0.550 269 S N -0.684 115.189 115.700 0.288 0.000 2.573 269 S HA 0.206 4.676 4.470 -0.000 0.000 0.297 269 S C 1.662 176.518 174.600 0.426 0.000 1.280 269 S CA 0.313 58.732 58.200 0.364 0.000 1.061 269 S CB 0.788 64.194 63.200 0.343 0.000 0.812 269 S HN 0.452 nan 8.310 nan 0.000 0.500 270 A N 4.375 127.493 122.820 0.497 0.000 2.186 270 A HA -0.027 4.293 4.320 -0.000 0.000 0.219 270 A C 1.415 179.260 177.584 0.434 0.000 1.159 270 A CA 1.052 53.349 52.037 0.433 0.000 0.680 270 A CB -0.738 18.362 19.000 0.167 0.000 0.787 270 A HN 0.979 nan 8.150 nan 0.000 0.467 271 W N 0.475 121.950 121.300 0.290 0.000 2.678 271 W HA 0.118 4.778 4.660 -0.000 0.000 0.256 271 W C 1.021 177.571 176.519 0.052 0.000 1.280 271 W CA 0.109 57.590 57.345 0.226 0.000 1.345 271 W CB 0.110 29.782 29.460 0.353 0.000 1.118 271 W HN 0.110 nan 8.180 nan 0.000 0.629 272 R N 0.796 121.464 120.500 0.280 0.000 2.543 272 R HA 0.162 4.502 4.340 -0.000 0.000 0.277 272 R C -0.109 176.163 176.300 -0.046 0.000 1.074 272 R CA -0.382 55.793 56.100 0.126 0.000 1.076 272 R CB 0.843 31.218 30.300 0.125 0.000 0.993 272 R HN -0.304 nan 8.270 nan 0.000 0.459 273 V N 5.639 125.492 119.914 -0.102 0.000 2.475 273 V HA -0.007 4.112 4.120 -0.000 0.000 0.292 273 V C -1.766 174.175 176.094 -0.256 0.000 1.003 273 V CA -0.836 61.327 62.300 -0.229 0.000 1.120 273 V CB 0.031 31.745 31.823 -0.180 0.000 0.937 273 V HN 0.627 nan 8.190 nan 0.000 0.476 274 P HA 0.218 nan 4.420 nan 0.000 0.267 274 P C -0.137 177.008 177.300 -0.259 0.000 1.205 274 P CA 0.045 62.904 63.100 -0.402 0.000 0.765 274 P CB 0.500 31.680 31.700 -0.867 0.000 0.828 275 R N 1.930 122.338 120.500 -0.154 0.000 2.549 275 R HA 0.256 4.596 4.340 -0.000 0.000 0.267 275 R C 1.635 177.880 176.300 -0.091 0.000 1.045 275 R CA -0.766 55.259 56.100 -0.124 0.000 1.115 275 R CB 0.738 30.974 30.300 -0.107 0.000 1.121 275 R HN 0.407 nan 8.270 nan 0.000 0.543 276 K N 1.399 121.754 120.400 -0.075 0.000 2.063 276 K HA -0.213 4.107 4.320 -0.000 0.000 0.208 276 K C 1.850 178.475 176.600 0.042 0.000 1.048 276 K CA 1.849 58.123 56.287 -0.022 0.000 0.928 276 K CB -0.199 32.278 32.500 -0.039 0.000 0.713 276 K HN 0.685 nan 8.250 nan 0.000 0.442 277 A N 1.194 124.027 122.820 0.022 0.000 1.927 277 A HA -0.289 4.031 4.320 -0.000 0.000 0.220 277 A C 2.019 179.585 177.584 -0.030 0.000 1.185 277 A CA 1.980 54.038 52.037 0.035 0.000 0.639 277 A CB -0.642 18.308 19.000 -0.082 0.000 0.820 277 A HN 0.557 nan 8.150 nan 0.000 0.451 278 Q N -0.978 118.799 119.800 -0.038 0.000 2.079 278 Q HA -0.118 4.222 4.340 -0.000 0.000 0.200 278 Q C 2.355 178.438 176.000 0.139 0.000 0.974 278 Q CA 1.238 57.060 55.803 0.030 0.000 0.840 278 Q CB -0.189 28.591 28.738 0.070 0.000 0.898 278 Q HN 0.592 nan 8.270 nan 0.000 0.430 279 R N 0.777 121.346 120.500 0.114 0.000 2.075 279 R HA -0.109 4.230 4.340 -0.000 0.000 0.232 279 R C 1.569 177.958 176.300 0.148 0.000 1.126 279 R CA 1.243 57.426 56.100 0.138 0.000 0.963 279 R CB -0.296 30.057 30.300 0.089 0.000 0.858 279 R HN 0.323 nan 8.270 nan 0.000 0.435 280 D N 0.111 120.596 120.400 0.142 0.000 2.097 280 D HA -0.216 4.423 4.640 -0.000 0.000 0.195 280 D C 1.565 177.918 176.300 0.088 0.000 0.989 280 D CA 0.806 54.843 54.000 0.062 0.000 0.827 280 D CB -0.365 40.533 40.800 0.163 0.000 0.966 280 D HN 0.312 nan 8.370 nan 0.000 0.456 281 W N 1.338 122.623 121.300 -0.026 0.000 2.355 281 W HA -0.160 4.500 4.660 -0.000 0.000 0.309 281 W C 2.117 178.715 176.519 0.131 0.000 1.206 281 W CA 0.742 58.098 57.345 0.019 0.000 1.284 281 W CB -0.385 28.992 29.460 -0.138 0.000 1.145 281 W HN -0.056 nan 8.180 nan 0.000 0.502 282 I N 0.980 121.647 120.570 0.161 0.000 2.151 282 I HA -0.392 3.778 4.170 -0.000 0.000 0.243 282 I C 2.182 178.318 176.117 0.031 0.000 1.080 282 I CA 1.970 63.307 61.300 0.063 0.000 1.339 282 I CB -0.726 37.338 38.000 0.106 0.000 1.039 282 I HN -0.107 nan 8.210 nan 0.000 0.409 283 D N 0.334 120.798 120.400 0.107 0.000 2.097 283 D HA -0.211 4.429 4.640 -0.000 0.000 0.195 283 D C 1.962 178.370 176.300 0.180 0.000 0.989 283 D CA 1.311 55.407 54.000 0.159 0.000 0.827 283 D CB -0.441 40.515 40.800 0.261 0.000 0.966 283 D HN 0.243 nan 8.370 nan 0.000 0.456 284 F N 1.470 121.439 119.950 0.032 0.000 2.043 284 F HA -0.221 4.306 4.527 -0.000 0.000 0.297 284 F C 2.207 177.920 175.800 -0.146 0.000 1.121 284 F CA 1.034 59.030 58.000 -0.006 0.000 1.199 284 F CB -0.579 38.350 39.000 -0.118 0.000 0.968 284 F HN -0.120 nan 8.300 nan 0.000 0.478 285 L N -0.506 120.455 121.223 -0.437 0.000 2.131 285 L HA -0.182 4.158 4.340 -0.000 0.000 0.210 285 L C 2.696 179.480 176.870 -0.142 0.000 1.092 285 L CA 1.962 56.532 54.840 -0.451 0.000 0.759 285 L CB -1.098 40.679 42.059 -0.470 0.000 0.903 285 L HN 0.260 nan 8.230 nan 0.000 0.435 286 S N -1.205 114.443 115.700 -0.086 0.000 2.377 286 S HA -0.059 4.411 4.470 -0.000 0.000 0.223 286 S C 1.992 176.587 174.600 -0.008 0.000 1.030 286 S CA 0.910 59.098 58.200 -0.020 0.000 0.970 286 S CB -0.500 62.702 63.200 0.003 0.000 0.830 286 S HN 0.601 nan 8.310 nan 0.000 0.473 287 G N 0.630 109.429 108.800 -0.003 0.000 2.446 287 G HA2 -0.239 3.720 3.960 -0.000 0.000 0.217 287 G HA3 -0.239 3.720 3.960 -0.000 0.000 0.217 287 G C 1.266 176.162 174.900 -0.007 0.000 1.168 287 G CA 1.020 46.121 45.100 0.001 0.000 0.771 287 G HN 0.544 nan 8.290 nan 0.000 0.551 288 F N 1.287 121.133 119.950 -0.173 0.000 2.075 288 F HA -0.083 4.443 4.527 -0.000 0.000 0.297 288 F C 2.746 178.509 175.800 -0.062 0.000 1.113 288 F CA 1.577 59.490 58.000 -0.145 0.000 1.218 288 F CB -0.487 38.396 39.000 -0.195 0.000 0.984 288 F HN 0.008 nan 8.300 nan 0.000 0.472 289 V N 1.102 120.950 119.914 -0.110 0.000 2.295 289 V HA -0.303 3.817 4.120 -0.000 0.000 0.246 289 V C 2.560 178.569 176.094 -0.141 0.000 1.049 289 V CA 2.319 64.583 62.300 -0.060 0.000 1.024 289 V CB -0.743 31.173 31.823 0.156 0.000 0.648 289 V HN 0.286 nan 8.190 nan 0.000 0.447 290 R N 0.289 120.714 120.500 -0.124 0.000 2.081 290 R HA -0.192 4.148 4.340 -0.000 0.000 0.235 290 R C 2.414 178.605 176.300 -0.183 0.000 1.131 290 R CA 1.756 57.768 56.100 -0.147 0.000 0.960 290 R CB -0.394 29.859 30.300 -0.078 0.000 0.856 290 R HN 0.839 nan 8.270 nan 0.000 0.436 291 E N 0.525 120.616 120.200 -0.182 0.000 2.110 291 E HA -0.179 4.171 4.350 -0.000 0.000 0.193 291 E C 1.346 177.825 176.600 -0.201 0.000 0.988 291 E CA 1.105 57.399 56.400 -0.178 0.000 0.804 291 E CB -0.235 29.372 29.700 -0.154 0.000 0.745 291 E HN 0.300 nan 8.360 nan 0.000 0.458 292 N N 0.751 119.297 118.700 -0.256 0.000 2.300 292 N HA -0.056 4.684 4.740 -0.000 0.000 0.179 292 N C 2.002 177.510 175.510 -0.004 0.000 1.016 292 N CA 1.012 53.987 53.050 -0.125 0.000 0.876 292 N CB 0.214 38.419 38.487 -0.470 0.000 0.979 292 N HN 0.095 nan 8.380 nan 0.000 0.432 293 V N 1.786 121.580 119.914 -0.200 0.000 2.358 293 V HA -0.172 3.947 4.120 -0.000 0.000 0.246 293 V C 2.502 178.362 176.094 -0.389 0.000 1.047 293 V CA 1.371 63.319 62.300 -0.586 0.000 1.035 293 V CB -0.365 30.891 31.823 -0.945 0.000 0.658 293 V HN 0.268 nan 8.190 nan 0.000 0.452 294 K N -0.132 120.110 120.400 -0.264 0.000 2.057 294 K HA -0.279 4.041 4.320 -0.000 0.000 0.207 294 K C 2.293 178.821 176.600 -0.121 0.000 1.049 294 K CA 2.012 58.191 56.287 -0.181 0.000 0.931 294 K CB -0.130 32.281 32.500 -0.150 0.000 0.714 294 K HN 0.515 nan 8.250 nan 0.000 0.440 295 Q N 0.636 120.368 119.800 -0.114 0.000 2.061 295 Q HA -0.167 4.173 4.340 -0.000 0.000 0.204 295 Q C 2.127 178.141 176.000 0.024 0.000 0.984 295 Q CA 1.627 57.371 55.803 -0.097 0.000 0.846 295 Q CB -0.081 28.505 28.738 -0.253 0.000 0.902 295 Q HN 0.368 nan 8.270 nan 0.000 0.421 296 L N -0.070 121.186 121.223 0.055 0.000 2.083 296 L HA -0.186 4.154 4.340 -0.000 0.000 0.209 296 L C 2.496 179.383 176.870 0.028 0.000 1.083 296 L CA 1.006 55.850 54.840 0.006 0.000 0.752 296 L CB -0.555 41.249 42.059 -0.425 0.000 0.899 296 L HN 0.346 nan 8.230 nan 0.000 0.433 297 A N -0.452 122.311 122.820 -0.096 0.000 1.929 297 A HA -0.184 4.136 4.320 -0.000 0.000 0.216 297 A C 1.885 179.402 177.584 -0.112 0.000 1.176 297 A CA 1.579 53.536 52.037 -0.133 0.000 0.628 297 A CB -0.357 18.562 19.000 -0.135 0.000 0.816 297 A HN 0.318 nan 8.150 nan 0.000 0.444 298 D N -0.046 120.373 120.400 0.031 0.000 2.084 298 D HA -0.161 4.479 4.640 -0.000 0.000 0.194 298 D C 2.048 178.409 176.300 0.102 0.000 0.990 298 D CA 1.594 55.653 54.000 0.098 0.000 0.826 298 D CB -0.448 40.376 40.800 0.039 0.000 0.971 298 D HN 0.461 nan 8.370 nan 0.000 0.453 299 M N 0.612 120.285 119.600 0.122 0.000 2.082 299 M HA -0.189 4.291 4.480 -0.000 0.000 0.258 299 M C 2.370 178.748 176.300 0.131 0.000 1.069 299 M CA 1.287 56.677 55.300 0.149 0.000 1.102 299 M CB -0.269 32.503 32.600 0.287 0.000 1.336 299 M HN -0.106 nan 8.290 nan 0.000 0.404 300 S N -0.666 115.158 115.700 0.207 0.000 2.353 300 S HA -0.209 4.261 4.470 -0.000 0.000 0.222 300 S C 1.641 176.269 174.600 0.046 0.000 1.035 300 S CA 1.633 59.911 58.200 0.130 0.000 1.025 300 S CB -0.774 62.511 63.200 0.141 0.000 0.902 300 S HN 0.571 nan 8.310 nan 0.000 0.440 301 H N 0.944 120.077 119.070 0.106 0.000 2.387 301 H HA 0.062 4.618 4.556 -0.000 0.000 0.299 301 H C 2.411 177.760 175.328 0.034 0.000 1.090 301 H CA 0.929 57.013 56.048 0.060 0.000 1.332 301 H CB -0.197 29.592 29.762 0.044 0.000 1.386 301 H HN 0.437 nan 8.280 nan 0.000 0.516 302 A N 0.987 123.894 122.820 0.145 0.000 1.972 302 A HA -0.093 4.227 4.320 -0.000 0.000 0.219 302 A C 2.359 179.965 177.584 0.036 0.000 1.169 302 A CA 1.370 53.449 52.037 0.070 0.000 0.635 302 A CB -0.697 18.329 19.000 0.044 0.000 0.810 302 A HN 0.470 nan 8.150 nan 0.000 0.446 303 A N -1.846 120.989 122.820 0.024 0.000 2.238 303 A HA 0.408 4.728 4.320 -0.000 0.000 0.208 303 A C 1.726 179.312 177.584 0.004 0.000 1.177 303 A CA 1.180 53.208 52.037 -0.014 0.000 0.804 303 A CB -0.913 18.050 19.000 -0.062 0.000 0.823 303 A HN 1.897 nan 8.150 nan 0.000 0.482 304 G N -0.855 107.972 108.800 0.046 0.000 2.132 304 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.234 304 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.234 304 G C -0.000 174.943 174.900 0.071 0.000 0.989 304 G CA 0.504 45.636 45.100 0.054 0.000 0.676 304 G HN 0.593 nan 8.290 nan 0.000 0.522 305 K N 0.138 120.593 120.400 0.090 0.000 2.267 305 K HA 0.550 4.870 4.320 -0.000 0.000 0.246 305 K C 0.044 176.722 176.600 0.129 0.000 0.954 305 K CA -0.826 55.514 56.287 0.087 0.000 0.824 305 K CB 1.856 34.391 32.500 0.059 0.000 1.167 305 K HN 0.277 nan 8.250 nan 0.000 0.431 306 E N 0.727 120.997 120.200 0.116 0.000 2.343 306 E HA 0.328 4.677 4.350 -0.000 0.000 0.269 306 E C -0.842 175.774 176.600 0.026 0.000 1.047 306 E CA -0.589 55.890 56.400 0.130 0.000 0.874 306 E CB 1.346 31.135 29.700 0.148 0.000 1.033 306 E HN 0.538 nan 8.360 nan 0.000 0.409 307 A N 3.442 126.266 122.820 0.006 0.000 2.303 307 A HA 0.526 4.846 4.320 -0.000 0.000 0.320 307 A C -0.646 176.976 177.584 0.064 0.000 1.192 307 A CA -0.554 51.526 52.037 0.072 0.000 0.821 307 A CB 0.630 19.675 19.000 0.075 0.000 1.188 307 A HN 0.641 nan 8.150 nan 0.000 0.492 308 M N 4.525 124.169 119.600 0.072 0.000 2.259 308 M HA 0.556 5.036 4.480 -0.000 0.000 0.304 308 M C -1.196 175.165 176.300 0.102 0.000 1.019 308 M CA -0.476 54.826 55.300 0.003 0.000 0.922 308 M CB 1.527 34.048 32.600 -0.132 0.000 1.600 308 M HN 0.850 nan 8.290 nan 0.000 0.433 309 M N 4.564 124.238 119.600 0.123 0.000 2.264 309 M HA 0.403 4.883 4.480 -0.000 0.000 0.352 309 M C -1.701 174.674 176.300 0.125 0.000 1.173 309 M CA -0.565 54.808 55.300 0.122 0.000 1.075 309 M CB 1.181 33.949 32.600 0.281 0.000 1.621 309 M HN 0.792 nan 8.290 nan 0.000 0.457 310 F N 5.678 125.587 119.950 -0.068 0.000 2.420 310 F HA 0.342 4.869 4.527 -0.000 0.000 0.352 310 F C -0.952 174.830 175.800 -0.029 0.000 1.108 310 F CA -0.807 57.165 58.000 -0.046 0.000 1.162 310 F CB 0.664 39.628 39.000 -0.060 0.000 1.118 310 F HN 0.552 nan 8.300 nan 0.000 0.510 311 L N 7.566 128.362 121.223 -0.711 0.000 2.404 311 L HA 0.576 4.915 4.340 -0.000 0.000 0.277 311 L C 0.093 176.223 176.870 -1.234 0.000 1.184 311 L CA 0.781 55.180 54.840 -0.735 0.000 1.013 311 L CB -0.855 40.937 42.059 -0.444 0.000 1.318 311 L HN 0.854 nan 8.230 nan 0.000 0.435 312 G N 1.767 109.930 108.800 -1.061 0.000 2.345 312 G HA2 0.195 4.155 3.960 -0.000 0.000 0.285 312 G HA3 0.195 4.155 3.960 -0.000 0.000 0.285 312 G C -0.754 174.233 174.900 0.145 0.000 1.297 312 G CA -0.204 44.493 45.100 -0.672 0.000 0.875 312 G HN 0.369 nan 8.290 nan 0.000 0.506 313 D N -0.650 120.121 120.400 0.618 0.000 3.910 313 D HA -0.214 4.426 4.640 -0.000 0.000 0.153 313 D C 1.259 177.847 176.300 0.480 0.000 0.802 313 D CA 2.102 56.417 54.000 0.525 0.000 1.009 313 D CB -0.695 40.327 40.800 0.370 0.000 0.453 313 D HN 0.632 nan 8.370 nan 0.000 0.422 314 Q N 1.071 121.046 119.800 0.292 0.000 3.179 314 Q HA 0.118 4.457 4.340 -0.000 0.000 0.328 314 Q C 0.809 176.994 176.000 0.308 0.000 1.336 314 Q CA -0.106 55.839 55.803 0.236 0.000 0.939 314 Q CB -0.624 28.177 28.738 0.105 0.000 1.658 314 Q HN 0.532 nan 8.270 nan 0.000 0.486 315 W N -0.801 120.555 121.300 0.093 0.000 3.177 315 W HA 0.253 4.913 4.660 -0.000 0.000 0.309 315 W C -0.719 175.839 176.519 0.065 0.000 1.224 315 W CA -0.511 56.870 57.345 0.061 0.000 1.718 315 W CB 0.098 29.504 29.460 -0.090 0.000 1.078 315 W HN 0.014 nan 8.180 nan 0.000 0.618 316 I N 2.815 123.179 120.570 -0.343 0.000 2.742 316 I HA 0.172 4.342 4.170 -0.000 0.000 0.287 316 I C 1.658 177.714 176.117 -0.102 0.000 1.186 316 I CA 1.621 62.677 61.300 -0.407 0.000 1.417 316 I CB -0.523 37.396 38.000 -0.136 0.000 1.377 316 I HN 0.448 nan 8.210 nan 0.000 0.556 317 G N 4.523 113.213 108.800 -0.184 0.000 2.179 317 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.220 317 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.220 317 G C 0.857 175.747 174.900 -0.016 0.000 0.990 317 G CA 0.545 45.613 45.100 -0.053 0.000 0.646 317 G HN 0.667 nan 8.290 nan 0.000 0.517 318 T N -1.731 112.813 114.554 -0.017 0.000 2.937 318 T HA 0.287 4.637 4.350 -0.000 0.000 0.260 318 T C 0.841 175.610 174.700 0.116 0.000 1.051 318 T CA 1.227 63.395 62.100 0.113 0.000 1.141 318 T CB -0.055 68.973 68.868 0.268 0.000 0.879 318 T HN 0.717 nan 8.240 nan 0.000 0.459 319 E N 1.738 121.908 120.200 -0.051 0.000 2.291 319 E HA -0.110 4.240 4.350 -0.000 0.000 0.181 319 E C -1.862 174.597 176.600 -0.235 0.000 1.480 319 E CA 0.632 56.978 56.400 -0.089 0.000 0.674 319 E CB -1.260 28.423 29.700 -0.028 0.000 1.108 319 E HN 0.470 nan 8.360 nan 0.000 0.357 320 P HA -0.155 nan 4.420 nan 0.000 0.223 320 P C 0.945 177.698 177.300 -0.912 0.000 1.144 320 P CA 1.296 63.480 63.100 -1.527 0.000 0.783 320 P CB 0.015 31.018 31.700 -1.162 0.000 0.771 321 Y N -0.569 119.563 120.300 -0.279 0.000 2.449 321 Y HA 0.225 4.775 4.550 -0.000 0.000 0.254 321 Y C 1.357 177.225 175.900 -0.053 0.000 1.140 321 Y CA -0.147 57.877 58.100 -0.127 0.000 1.272 321 Y CB 0.080 38.480 38.460 -0.099 0.000 1.114 321 Y HN -0.177 nan 8.280 nan 0.000 0.525 322 K N 1.179 121.623 120.400 0.072 0.000 2.202 322 K HA 0.052 4.372 4.320 -0.000 0.000 0.264 322 K C -0.465 176.198 176.600 0.106 0.000 1.010 322 K CA -0.532 55.807 56.287 0.086 0.000 0.940 322 K CB 0.344 32.886 32.500 0.072 0.000 0.983 322 K HN -0.009 nan 8.250 nan 0.000 0.475 323 D N 0.463 120.921 120.400 0.096 0.000 2.443 323 D HA 0.058 4.698 4.640 -0.000 0.000 0.239 323 D C 1.189 177.548 176.300 0.098 0.000 1.136 323 D CA 1.162 55.218 54.000 0.093 0.000 0.879 323 D CB 1.110 41.951 40.800 0.069 0.000 1.195 323 D HN 0.813 nan 8.370 nan 0.000 0.443 324 G N 1.438 110.296 108.800 0.095 0.000 2.254 324 G HA2 -0.345 3.615 3.960 -0.000 0.000 0.225 324 G HA3 -0.345 3.615 3.960 -0.000 0.000 0.225 324 G C 0.894 175.842 174.900 0.080 0.000 1.003 324 G CA 0.168 45.310 45.100 0.069 0.000 0.622 324 G HN 0.468 nan 8.290 nan 0.000 0.507 325 F N 3.272 123.213 119.950 -0.016 0.000 2.154 325 F HA -0.094 4.432 4.527 -0.000 0.000 0.301 325 F C 2.524 178.307 175.800 -0.029 0.000 1.087 325 F CA 2.595 60.577 58.000 -0.030 0.000 1.274 325 F CB -0.063 38.915 39.000 -0.037 0.000 1.009 325 F HN 0.364 nan 8.300 nan 0.000 0.485 326 D N -0.135 120.271 120.400 0.009 0.000 2.221 326 D HA -0.249 4.391 4.640 -0.000 0.000 0.204 326 D C 1.562 177.792 176.300 -0.118 0.000 0.982 326 D CA 1.604 55.566 54.000 -0.062 0.000 0.857 326 D CB -0.991 39.822 40.800 0.021 0.000 0.934 326 D HN 0.509 nan 8.370 nan 0.000 0.475 327 E N -0.179 119.960 120.200 -0.102 0.000 2.427 327 E HA 0.069 4.419 4.350 -0.000 0.000 0.196 327 E C 2.161 178.681 176.600 -0.134 0.000 1.028 327 E CA -0.117 56.228 56.400 -0.090 0.000 0.864 327 E CB 0.004 29.671 29.700 -0.055 0.000 0.813 327 E HN 0.355 nan 8.360 nan 0.000 0.514 328 L N -0.182 120.902 121.223 -0.231 0.000 2.201 328 L HA -0.035 4.305 4.340 -0.000 0.000 0.212 328 L C 1.542 178.301 176.870 -0.185 0.000 1.105 328 L CA 0.689 55.366 54.840 -0.271 0.000 0.775 328 L CB -0.610 41.166 42.059 -0.471 0.000 0.913 328 L HN 0.259 nan 8.230 nan 0.000 0.440 329 G N 1.088 109.794 108.800 -0.156 0.000 2.305 329 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.287 329 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.287 329 G C 0.113 175.040 174.900 0.045 0.000 1.036 329 G CA -0.048 45.028 45.100 -0.041 0.000 0.887 329 G HN 0.238 nan 8.290 nan 0.000 0.505 330 L N -0.678 120.488 121.223 -0.095 0.000 2.439 330 L HA 0.321 4.661 4.340 -0.000 0.000 0.269 330 L C 1.389 178.259 176.870 -0.001 0.000 1.179 330 L CA -0.265 54.551 54.840 -0.040 0.000 0.828 330 L CB 0.646 42.639 42.059 -0.111 0.000 1.106 330 L HN 0.148 nan 8.230 nan 0.000 0.467 331 D N 0.847 121.265 120.400 0.029 0.000 2.213 331 D HA 0.173 4.813 4.640 -0.000 0.000 0.205 331 D C 0.170 176.282 176.300 -0.313 0.000 0.961 331 D CA 0.695 54.677 54.000 -0.031 0.000 0.853 331 D CB 0.349 41.198 40.800 0.081 0.000 0.967 331 D HN 0.570 nan 8.370 nan 0.000 0.496 332 A N -0.182 122.444 122.820 -0.324 0.000 2.572 332 A HA 0.612 4.932 4.320 -0.000 0.000 0.295 332 A C -1.459 176.038 177.584 -0.145 0.000 1.072 332 A CA -0.628 51.115 52.037 -0.490 0.000 0.691 332 A CB 1.557 20.004 19.000 -0.923 0.000 1.291 332 A HN -0.077 nan 8.150 nan 0.000 0.404 333 V N 1.215 121.085 119.914 -0.073 0.000 2.495 333 V HA 0.635 4.755 4.120 -0.000 0.000 0.298 333 V C -0.413 175.712 176.094 0.052 0.000 1.031 333 V CA -0.582 61.737 62.300 0.032 0.000 0.871 333 V CB 1.489 33.347 31.823 0.059 0.000 0.988 333 V HN 0.944 nan 8.190 nan 0.000 0.432 334 V N 4.546 124.517 119.914 0.096 0.000 2.555 334 V HA 1.009 5.129 4.120 -0.000 0.000 0.302 334 V C 0.198 176.384 176.094 0.153 0.000 1.038 334 V CA 0.333 62.730 62.300 0.163 0.000 0.887 334 V CB 1.673 33.631 31.823 0.226 0.000 0.991 334 V HN 1.011 nan 8.190 nan 0.000 0.434 335 G N 2.814 111.683 108.800 0.115 0.000 2.660 335 G HA2 0.498 4.458 3.960 -0.000 0.000 0.294 335 G HA3 0.498 4.458 3.960 -0.000 0.000 0.294 335 G C -0.945 173.996 174.900 0.069 0.000 1.369 335 G CA -0.243 44.855 45.100 -0.002 0.000 0.912 335 G HN 1.050 nan 8.290 nan 0.000 0.479 336 S N 0.744 116.464 115.700 0.034 0.000 2.455 336 S HA 0.338 4.808 4.470 -0.000 0.000 0.278 336 S C 0.386 174.985 174.600 -0.000 0.000 1.216 336 S CA -0.660 57.577 58.200 0.063 0.000 1.055 336 S CB -0.172 63.068 63.200 0.066 0.000 0.939 336 S HN 0.360 nan 8.310 nan 0.000 0.494 337 I N 5.772 126.284 120.570 -0.096 0.000 2.291 337 I HA 0.254 4.424 4.170 -0.000 0.000 0.292 337 I C 1.342 177.385 176.117 -0.124 0.000 1.064 337 I CA -0.110 61.064 61.300 -0.210 0.000 1.269 337 I CB 0.263 37.927 38.000 -0.561 0.000 1.418 337 I HN 0.906 nan 8.210 nan 0.000 0.485 338 G N 5.317 114.056 108.800 -0.102 0.000 2.850 338 G HA2 0.148 4.108 3.960 -0.000 0.000 0.211 338 G HA3 0.148 4.108 3.960 -0.000 0.000 0.211 338 G C 0.074 174.928 174.900 -0.076 0.000 1.124 338 G CA 0.253 45.310 45.100 -0.071 0.000 0.769 338 G HN 0.668 nan 8.290 nan 0.000 0.535 339 D N -3.306 117.019 120.400 -0.125 0.000 2.879 339 D HA 0.252 4.891 4.640 -0.000 0.000 0.346 339 D C 1.275 177.453 176.300 -0.204 0.000 1.390 339 D CA 0.115 54.034 54.000 -0.135 0.000 0.838 339 D CB 0.210 40.952 40.800 -0.096 0.000 1.416 339 D HN -0.013 nan 8.370 nan 0.000 0.493 340 G N -0.638 108.005 108.800 -0.261 0.000 2.421 340 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.216 340 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.216 340 G C 1.157 175.825 174.900 -0.387 0.000 1.171 340 G CA 1.934 46.840 45.100 -0.324 0.000 0.775 340 G HN 0.539 nan 8.290 nan 0.000 0.543 341 T N 1.260 115.603 114.554 -0.350 0.000 2.708 341 T HA -0.181 4.169 4.350 -0.000 0.000 0.266 341 T C 2.798 177.352 174.700 -0.243 0.000 1.037 341 T CA 2.356 64.269 62.100 -0.312 0.000 1.146 341 T CB -0.790 67.924 68.868 -0.257 0.000 0.865 341 T HN 0.576 nan 8.240 nan 0.000 0.435 342 T N 0.378 114.815 114.554 -0.194 0.000 2.915 342 T HA -0.100 4.249 4.350 -0.000 0.000 0.269 342 T C 2.054 176.656 174.700 -0.163 0.000 1.071 342 T CA 1.538 63.533 62.100 -0.175 0.000 1.132 342 T CB -0.985 67.724 68.868 -0.265 0.000 0.878 342 T HN 0.309 nan 8.240 nan 0.000 0.479 343 T N 1.842 116.262 114.554 -0.223 0.000 2.708 343 T HA -0.034 4.315 4.350 -0.000 0.000 0.266 343 T C 2.215 176.773 174.700 -0.237 0.000 1.037 343 T CA 0.870 62.843 62.100 -0.212 0.000 1.146 343 T CB -0.185 68.548 68.868 -0.224 0.000 0.865 343 T HN 0.241 nan 8.240 nan 0.000 0.435 344 R N 1.051 121.285 120.500 -0.443 0.000 2.105 344 R HA 0.095 4.435 4.340 -0.000 0.000 0.239 344 R C 2.446 178.552 176.300 -0.324 0.000 1.135 344 R CA 1.104 56.797 56.100 -0.678 0.000 0.967 344 R CB -0.916 28.297 30.300 -1.813 0.000 0.861 344 R HN 0.493 nan 8.270 nan 0.000 0.442 345 M N -0.141 119.385 119.600 -0.123 0.000 2.143 345 M HA -0.213 4.267 4.480 -0.000 0.000 0.258 345 M C 2.119 178.538 176.300 0.198 0.000 1.071 345 M CA 1.776 57.188 55.300 0.187 0.000 1.088 345 M CB -0.428 32.292 32.600 0.199 0.000 1.360 345 M HN 0.048 nan 8.290 nan 0.000 0.404 346 I N -0.650 119.955 120.570 0.058 0.000 2.339 346 I HA -0.084 4.086 4.170 -0.000 0.000 0.245 346 I C 2.660 178.816 176.117 0.064 0.000 1.096 346 I CA 0.835 62.160 61.300 0.041 0.000 1.408 346 I CB -0.505 37.504 38.000 0.015 0.000 1.092 346 I HN 0.174 nan 8.210 nan 0.000 0.423 347 A N 0.294 123.145 122.820 0.052 0.000 1.969 347 A HA -0.185 4.135 4.320 -0.000 0.000 0.218 347 A C 1.649 179.307 177.584 0.124 0.000 1.169 347 A CA 1.827 53.909 52.037 0.075 0.000 0.635 347 A CB -0.467 18.546 19.000 0.022 0.000 0.810 347 A HN 0.319 nan 8.150 nan 0.000 0.445 348 D N -0.533 119.988 120.400 0.202 0.000 2.340 348 D HA 0.161 4.801 4.640 -0.000 0.000 0.220 348 D C 0.220 176.679 176.300 0.265 0.000 1.039 348 D CA 0.026 54.217 54.000 0.319 0.000 0.866 348 D CB -0.136 40.983 40.800 0.533 0.000 0.913 348 D HN 0.440 nan 8.370 nan 0.000 0.523 349 I N 3.262 123.855 120.570 0.039 0.000 2.587 349 I HA 0.056 4.226 4.170 -0.000 0.000 0.284 349 I C -1.809 174.266 176.117 -0.070 0.000 1.134 349 I CA -1.215 59.913 61.300 -0.287 0.000 1.410 349 I CB 0.454 38.253 38.000 -0.335 0.000 1.392 349 I HN -0.150 nan 8.210 nan 0.000 0.545 350 P HA 0.299 nan 4.420 nan 0.000 0.282 350 P C 0.305 177.688 177.300 0.138 0.000 1.259 350 P CA -0.282 62.858 63.100 0.067 0.000 0.826 350 P CB 1.425 33.177 31.700 0.087 0.000 1.064 351 G N -0.577 108.298 108.800 0.125 0.000 2.149 351 G HA2 -0.044 3.915 3.960 -0.000 0.000 0.235 351 G HA3 -0.044 3.915 3.960 -0.000 0.000 0.235 351 G C -0.162 174.791 174.900 0.090 0.000 1.018 351 G CA 0.076 45.246 45.100 0.117 0.000 0.728 351 G HN 0.782 nan 8.290 nan 0.000 0.508 352 V N -4.094 115.878 119.914 0.095 0.000 3.001 352 V HA 0.797 4.917 4.120 -0.000 0.000 0.314 352 V C 1.212 177.342 176.094 0.060 0.000 1.099 352 V CA -0.334 61.995 62.300 0.049 0.000 0.989 352 V CB 1.633 33.483 31.823 0.045 0.000 1.040 352 V HN 0.091 nan 8.190 nan 0.000 0.434 353 K N 1.240 121.669 120.400 0.049 0.000 2.103 353 K HA 0.161 4.481 4.320 -0.000 0.000 0.204 353 K C 0.029 176.790 176.600 0.269 0.000 1.052 353 K CA 2.013 58.389 56.287 0.149 0.000 0.945 353 K CB -0.122 32.499 32.500 0.202 0.000 0.722 353 K HN 0.846 nan 8.250 nan 0.000 0.443 354 Y N -1.903 118.459 120.300 0.104 0.000 2.705 354 Y HA 0.445 4.995 4.550 -0.000 0.000 0.332 354 Y C -0.892 175.087 175.900 0.131 0.000 1.221 354 Y CA -1.496 56.676 58.100 0.120 0.000 1.059 354 Y CB 1.047 39.578 38.460 0.118 0.000 1.298 354 Y HN -0.113 nan 8.280 nan 0.000 0.459 355 T N -1.422 113.324 114.554 0.320 0.000 2.916 355 T HA 0.712 5.062 4.350 -0.000 0.000 0.292 355 T C -1.352 173.546 174.700 0.331 0.000 1.055 355 T CA -0.735 61.498 62.100 0.221 0.000 1.009 355 T CB 2.506 71.482 68.868 0.181 0.000 1.118 355 T HN 0.930 nan 8.240 nan 0.000 0.497 356 E N -0.253 120.099 120.200 0.254 0.000 2.321 356 E HA 0.562 4.911 4.350 -0.000 0.000 0.278 356 E C -0.859 175.862 176.600 0.202 0.000 0.902 356 E CA -0.978 55.584 56.400 0.270 0.000 0.758 356 E CB 1.714 31.590 29.700 0.293 0.000 1.213 356 E HN 1.044 nan 8.360 nan 0.000 0.426 357 G N 3.022 111.957 108.800 0.224 0.000 2.368 357 G HA2 0.256 4.216 3.960 -0.000 0.000 0.320 357 G HA3 0.256 4.216 3.960 -0.000 0.000 0.320 357 G C -0.663 174.308 174.900 0.117 0.000 1.158 357 G CA -0.575 44.588 45.100 0.104 0.000 0.912 357 G HN 0.295 nan 8.290 nan 0.000 0.456 358 R N 3.513 124.045 120.500 0.053 0.000 2.308 358 R HA 0.181 4.521 4.340 -0.000 0.000 0.325 358 R C -0.753 175.558 176.300 0.018 0.000 1.161 358 R CA -0.400 55.724 56.100 0.040 0.000 1.022 358 R CB -0.255 30.093 30.300 0.080 0.000 1.091 358 R HN 0.405 nan 8.270 nan 0.000 0.497 359 F N 2.995 122.818 119.950 -0.211 0.000 2.440 359 F HA 0.191 4.717 4.527 -0.000 0.000 0.323 359 F C 1.097 176.985 175.800 0.145 0.000 1.192 359 F CA -0.185 57.757 58.000 -0.096 0.000 1.252 359 F CB 0.695 39.522 39.000 -0.288 0.000 1.214 359 F HN 0.175 nan 8.300 nan 0.000 0.578 360 L N 2.733 124.249 121.223 0.489 0.000 2.387 360 L HA 0.431 4.770 4.340 -0.000 0.000 0.266 360 L C -2.225 175.071 176.870 0.711 0.000 1.059 360 L CA -2.027 53.130 54.840 0.527 0.000 0.801 360 L CB 1.046 43.309 42.059 0.340 0.000 1.223 360 L HN 0.303 nan 8.230 nan 0.000 0.456 361 P HA 0.064 nan 4.420 nan 0.000 0.282 361 P C -1.062 176.580 177.300 0.569 0.000 1.249 361 P CA -0.372 62.994 63.100 0.445 0.000 0.806 361 P CB 0.643 32.484 31.700 0.236 0.000 0.984 362 Y N 2.223 122.752 120.300 0.382 0.000 2.578 362 Y HA 0.052 4.602 4.550 -0.000 0.000 0.339 362 Y C 0.263 176.496 175.900 0.555 0.000 1.231 362 Y CA 0.161 58.486 58.100 0.376 0.000 1.461 362 Y CB 0.045 38.682 38.460 0.296 0.000 1.323 362 Y HN 0.174 nan 8.280 nan 0.000 0.590 363 F N 7.975 127.662 119.950 -0.438 0.000 2.626 363 F HA 0.176 4.703 4.527 -0.000 0.000 0.353 363 F C -0.648 175.192 175.800 0.067 0.000 1.230 363 F CA -0.729 57.150 58.000 -0.203 0.000 1.298 363 F CB -1.474 37.421 39.000 -0.175 0.000 1.670 363 F HN 0.316 nan 8.300 nan 0.000 0.633 364 F N 3.117 123.210 119.950 0.239 0.000 2.573 364 F HA 0.535 5.062 4.527 -0.000 0.000 0.316 364 F C -2.231 173.685 175.800 0.193 0.000 1.148 364 F CA -2.968 55.246 58.000 0.357 0.000 0.940 364 F CB 1.795 41.165 39.000 0.616 0.000 1.214 364 F HN -0.136 nan 8.300 nan 0.000 0.448 365 P HA -0.295 nan 4.420 nan 0.000 0.226 365 P C 0.873 177.933 177.300 -0.400 0.000 1.154 365 P CA 2.291 65.201 63.100 -0.318 0.000 0.901 365 P CB -0.064 31.480 31.700 -0.260 0.000 0.788 366 D N -1.094 118.867 120.400 -0.730 0.000 2.379 366 D HA -0.053 4.587 4.640 -0.000 0.000 0.243 366 D C 0.170 176.332 176.300 -0.231 0.000 1.088 366 D CA 0.654 54.396 54.000 -0.430 0.000 0.925 366 D CB -0.848 39.690 40.800 -0.436 0.000 0.888 366 D HN 0.219 nan 8.370 nan 0.000 0.529 372 N N 1.547 120.295 118.700 0.079 0.000 2.483 372 N HA 0.347 5.087 4.740 -0.000 0.000 0.269 372 N C -1.477 173.969 175.510 -0.107 0.000 1.209 372 N CA -0.173 52.856 53.050 -0.035 0.000 0.969 372 N CB 1.580 40.002 38.487 -0.108 0.000 1.173 372 N HN 0.263 nan 8.380 nan 0.000 0.475 373 D N 1.624 121.969 120.400 -0.092 0.000 2.411 373 D HA 0.232 4.872 4.640 -0.000 0.000 0.225 373 D C -1.698 174.503 176.300 -0.165 0.000 1.156 373 D CA -1.870 52.072 54.000 -0.096 0.000 0.874 373 D CB 1.022 41.818 40.800 -0.007 0.000 1.034 373 D HN 0.306 nan 8.370 nan 0.000 0.502 374 P HA -0.063 nan 4.420 nan 0.000 0.236 374 P C 1.206 178.599 177.300 0.155 0.000 1.177 374 P CA 0.369 63.291 63.100 -0.296 0.000 0.773 374 P CB 0.131 31.324 31.700 -0.844 0.000 0.878 375 S N 0.455 116.280 115.700 0.207 0.000 2.383 375 S HA -0.162 4.308 4.470 -0.000 0.000 0.229 375 S C 1.956 176.640 174.600 0.140 0.000 1.030 375 S CA 1.089 59.404 58.200 0.192 0.000 1.002 375 S CB -1.465 61.781 63.200 0.077 0.000 0.829 375 S HN -0.033 nan 8.310 nan 0.000 0.467 376 I N 2.239 122.868 120.570 0.097 0.000 2.127 376 I HA -0.178 3.992 4.170 -0.000 0.000 0.241 376 I C 2.689 178.885 176.117 0.131 0.000 1.075 376 I CA 1.824 63.179 61.300 0.092 0.000 1.334 376 I CB -1.712 36.322 38.000 0.057 0.000 1.040 376 I HN 0.306 nan 8.210 nan 0.000 0.405 377 E N 1.460 121.740 120.200 0.134 0.000 2.058 377 E HA -0.151 4.199 4.350 -0.000 0.000 0.194 377 E C 2.371 179.128 176.600 0.262 0.000 0.997 377 E CA 1.535 58.039 56.400 0.173 0.000 0.801 377 E CB -0.732 29.057 29.700 0.149 0.000 0.746 377 E HN 0.589 nan 8.360 nan 0.000 0.450 378 G N 0.623 109.616 108.800 0.322 0.000 2.446 378 G HA2 -0.252 3.707 3.960 -0.000 0.000 0.217 378 G HA3 -0.252 3.707 3.960 -0.000 0.000 0.217 378 G C 1.555 176.656 174.900 0.335 0.000 1.168 378 G CA 0.763 46.093 45.100 0.384 0.000 0.771 378 G HN 0.143 nan 8.290 nan 0.000 0.551 379 L N 0.474 121.845 121.223 0.248 0.000 2.083 379 L HA -0.048 4.292 4.340 -0.000 0.000 0.209 379 L C 2.583 179.653 176.870 0.335 0.000 1.083 379 L CA 1.599 56.614 54.840 0.293 0.000 0.752 379 L CB -0.343 41.831 42.059 0.193 0.000 0.899 379 L HN 0.353 nan 8.230 nan 0.000 0.433 380 D N 0.003 120.555 120.400 0.253 0.000 2.077 380 D HA -0.268 4.372 4.640 -0.000 0.000 0.196 380 D C 1.974 178.413 176.300 0.233 0.000 0.986 380 D CA 1.499 55.623 54.000 0.206 0.000 0.829 380 D CB -0.246 40.647 40.800 0.155 0.000 0.983 380 D HN 0.129 nan 8.370 nan 0.000 0.453 381 N N -0.265 118.603 118.700 0.281 0.000 2.132 381 N HA -0.231 4.509 4.740 -0.000 0.000 0.191 381 N C 1.830 177.591 175.510 0.417 0.000 1.015 381 N CA 1.298 54.532 53.050 0.306 0.000 0.864 381 N CB -0.533 38.180 38.487 0.376 0.000 1.006 381 N HN 0.583 nan 8.380 nan 0.000 0.430 382 W N 1.775 123.268 121.300 0.322 0.000 2.425 382 W HA -0.075 4.585 4.660 -0.000 0.000 0.277 382 W C 1.739 178.402 176.519 0.239 0.000 1.231 382 W CA 0.452 58.010 57.345 0.356 0.000 1.248 382 W CB -0.006 29.604 29.460 0.251 0.000 1.117 382 W HN 0.133 nan 8.180 nan 0.000 0.568 383 R N 0.493 121.007 120.500 0.023 0.000 2.062 383 R HA -0.103 4.237 4.340 -0.000 0.000 0.229 383 R C 2.300 178.513 176.300 -0.144 0.000 1.128 383 R CA 1.644 57.669 56.100 -0.126 0.000 0.960 383 R CB -0.410 29.905 30.300 0.026 0.000 0.855 383 R HN 0.119 nan 8.270 nan 0.000 0.432 384 K N 0.670 121.036 120.400 -0.057 0.000 2.097 384 K HA -0.070 4.250 4.320 -0.000 0.000 0.206 384 K C 2.136 178.636 176.600 -0.167 0.000 1.049 384 K CA 1.489 57.717 56.287 -0.098 0.000 0.933 384 K CB -0.145 32.314 32.500 -0.068 0.000 0.717 384 K HN 0.119 nan 8.250 nan 0.000 0.442 385 A N 2.320 125.052 122.820 -0.146 0.000 1.898 385 A HA -0.151 4.169 4.320 -0.000 0.000 0.214 385 A C 2.205 179.620 177.584 -0.281 0.000 1.183 385 A CA 1.312 53.252 52.037 -0.162 0.000 0.622 385 A CB -0.426 18.576 19.000 0.004 0.000 0.824 385 A HN 0.394 nan 8.150 nan 0.000 0.444 386 R N 0.815 120.973 120.500 -0.571 0.000 2.092 386 R HA -0.153 4.187 4.340 -0.000 0.000 0.231 386 R C 2.122 178.211 176.300 -0.352 0.000 1.119 386 R CA 1.621 57.294 56.100 -0.713 0.000 0.970 386 R CB -0.647 28.860 30.300 -1.321 0.000 0.864 386 R HN 0.581 nan 8.270 nan 0.000 0.440 387 R N 0.595 120.931 120.500 -0.273 0.000 2.127 387 R HA 0.003 4.343 4.340 -0.000 0.000 0.238 387 R C 2.129 178.335 176.300 -0.157 0.000 1.134 387 R CA 1.406 57.403 56.100 -0.172 0.000 0.975 387 R CB -0.523 29.703 30.300 -0.123 0.000 0.865 387 R HN 0.306 nan 8.270 nan 0.000 0.447 388 A N 1.608 124.313 122.820 -0.193 0.000 1.898 388 A HA 0.028 4.348 4.320 -0.000 0.000 0.214 388 A C 2.212 179.708 177.584 -0.147 0.000 1.183 388 A CA 0.884 52.800 52.037 -0.201 0.000 0.622 388 A CB -0.323 18.513 19.000 -0.273 0.000 0.824 388 A HN 0.260 nan 8.150 nan 0.000 0.444 389 I N 0.125 120.616 120.570 -0.132 0.000 2.264 389 I HA -0.268 3.902 4.170 -0.000 0.000 0.248 389 I C 2.291 178.378 176.117 -0.050 0.000 1.111 389 I CA 0.939 62.193 61.300 -0.077 0.000 1.382 389 I CB -0.216 37.741 38.000 -0.072 0.000 1.060 389 I HN 0.305 nan 8.210 nan 0.000 0.418 390 L N -0.005 121.191 121.223 -0.046 0.000 2.081 390 L HA -0.242 4.097 4.340 -0.000 0.000 0.212 390 L C 2.649 179.543 176.870 0.040 0.000 1.080 390 L CA 1.275 56.144 54.840 0.049 0.000 0.754 390 L CB -0.626 41.442 42.059 0.015 0.000 0.893 390 L HN 0.280 nan 8.230 nan 0.000 0.433 391 R N -0.992 119.495 120.500 -0.021 0.000 2.127 391 R HA 0.107 4.447 4.340 -0.000 0.000 0.217 391 R C 0.862 177.173 176.300 0.017 0.000 1.074 391 R CA 0.396 56.487 56.100 -0.015 0.000 0.991 391 R CB -0.277 30.009 30.300 -0.023 0.000 0.895 391 R HN 0.124 nan 8.270 nan 0.000 0.450 392 S N 1.193 116.895 115.700 0.004 0.000 2.511 392 S HA 0.388 4.858 4.470 -0.000 0.000 0.233 392 S C -2.851 171.763 174.600 0.022 0.000 1.104 392 S CA -1.362 56.856 58.200 0.030 0.000 1.129 392 S CB 1.217 64.439 63.200 0.038 0.000 1.159 392 S HN -0.172 nan 8.310 nan 0.000 0.451 393 P HA 0.340 nan 4.420 nan 0.000 0.271 393 P C -0.348 177.013 177.300 0.102 0.000 1.216 393 P CA -0.413 62.691 63.100 0.005 0.000 0.776 393 P CB 0.333 31.982 31.700 -0.084 0.000 0.881 394 I N -1.440 119.235 120.570 0.175 0.000 2.498 394 I HA 0.399 4.569 4.170 -0.000 0.000 0.301 394 I C 0.726 177.130 176.117 0.478 0.000 0.984 394 I CA -0.390 61.095 61.300 0.308 0.000 1.204 394 I CB 1.864 40.071 38.000 0.345 0.000 1.362 394 I HN 0.083 nan 8.210 nan 0.000 0.471 395 S N 3.339 119.310 115.700 0.451 0.000 2.371 395 S HA 0.114 4.583 4.470 -0.000 0.000 0.224 395 S C 0.692 175.542 174.600 0.417 0.000 1.029 395 S CA 0.683 59.135 58.200 0.419 0.000 0.978 395 S CB -0.178 63.216 63.200 0.323 0.000 0.833 395 S HN 0.665 nan 8.310 nan 0.000 0.466 396 R N -0.600 120.158 120.500 0.430 0.000 2.855 396 R HA 0.678 5.018 4.340 -0.000 0.000 0.266 396 R C -0.790 175.601 176.300 0.151 0.000 1.034 396 R CA -0.545 55.698 56.100 0.238 0.000 0.944 396 R CB 1.662 32.054 30.300 0.152 0.000 1.219 396 R HN 0.176 nan 8.270 nan 0.000 0.474 397 M N -0.025 119.432 119.600 -0.238 0.000 2.631 397 M HA 0.747 5.227 4.480 -0.000 0.000 0.288 397 M C -1.339 174.664 176.300 -0.496 0.000 1.260 397 M CA -0.333 54.761 55.300 -0.343 0.000 0.842 397 M CB 2.792 34.760 32.600 -1.052 0.000 1.743 397 M HN 0.786 nan 8.290 nan 0.000 0.461 398 G N 1.053 109.529 108.800 -0.540 0.000 2.349 398 G HA2 0.496 4.456 3.960 -0.000 0.000 0.294 398 G HA3 0.496 4.456 3.960 -0.000 0.000 0.294 398 G C -2.665 171.801 174.900 -0.724 0.000 1.380 398 G CA -0.627 43.969 45.100 -0.841 0.000 0.811 398 G HN 0.708 nan 8.290 nan 0.000 0.519 399 Y N -0.980 119.112 120.300 -0.348 0.000 2.602 399 Y HA 0.741 5.290 4.550 -0.000 0.000 0.342 399 Y C 0.858 176.530 175.900 -0.379 0.000 1.029 399 Y CA -0.197 57.714 58.100 -0.316 0.000 1.080 399 Y CB 2.372 40.480 38.460 -0.587 0.000 1.284 399 Y HN 0.855 nan 8.280 nan 0.000 0.485 400 G N -0.676 108.044 108.800 -0.133 0.000 2.509 400 G HA2 0.602 4.562 3.960 -0.000 0.000 0.328 400 G HA3 0.602 4.562 3.960 -0.000 0.000 0.328 400 G C -0.010 174.542 174.900 -0.581 0.000 1.194 400 G CA -0.247 44.782 45.100 -0.119 0.000 0.967 400 G HN 1.207 nan 8.290 nan 0.000 0.488 401 G N -1.025 107.502 108.800 -0.455 0.000 2.464 401 G HA2 -0.058 3.902 3.960 -0.000 0.000 0.216 401 G HA3 -0.058 3.902 3.960 -0.000 0.000 0.216 401 G C -0.896 173.756 174.900 -0.414 0.000 1.186 401 G CA -0.338 44.328 45.100 -0.724 0.000 1.010 401 G HN 0.959 nan 8.290 nan 0.000 0.585 402 Y N 0.814 121.147 120.300 0.056 0.000 2.454 402 Y HA 0.563 5.113 4.550 -0.000 0.000 0.345 402 Y C 1.493 177.519 175.900 0.209 0.000 0.970 402 Y CA -0.323 57.849 58.100 0.120 0.000 1.204 402 Y CB 1.284 39.791 38.460 0.079 0.000 1.122 402 Y HN 0.551 nan 8.280 nan 0.000 0.514 403 L N 2.069 123.495 121.223 0.338 0.000 2.201 403 L HA -0.169 4.171 4.340 -0.000 0.000 0.212 403 L C 2.226 179.101 176.870 0.009 0.000 1.105 403 L CA 1.930 56.979 54.840 0.350 0.000 0.775 403 L CB -0.439 41.828 42.059 0.347 0.000 0.913 403 L HN 0.720 nan 8.230 nan 0.000 0.440 404 S N -1.266 114.276 115.700 -0.265 0.000 2.399 404 S HA -0.182 4.288 4.470 -0.000 0.000 0.231 404 S C 1.888 176.165 174.600 -0.537 0.000 1.022 404 S CA 1.164 58.775 58.200 -0.982 0.000 0.983 404 S CB -0.830 61.821 63.200 -0.916 0.000 0.803 404 S HN 0.369 nan 8.310 nan 0.000 0.480 405 L N 0.763 121.847 121.223 -0.233 0.000 2.551 405 L HA 0.262 4.602 4.340 -0.000 0.000 0.228 405 L C 2.342 179.103 176.870 -0.182 0.000 1.153 405 L CA 1.149 55.889 54.840 -0.167 0.000 0.851 405 L CB -0.331 41.703 42.059 -0.042 0.000 0.959 405 L HN 0.543 nan 8.230 nan 0.000 0.451 406 A N -2.068 120.598 122.820 -0.256 0.000 2.312 406 A HA 0.430 4.749 4.320 -0.000 0.000 0.215 406 A C 2.209 179.774 177.584 -0.031 0.000 1.256 406 A CA 0.523 52.374 52.037 -0.309 0.000 0.966 406 A CB -0.217 18.174 19.000 -1.013 0.000 1.053 406 A HN 0.188 nan 8.150 nan 0.000 0.510 407 A N 0.594 123.389 122.820 -0.042 0.000 2.015 407 A HA -0.098 4.222 4.320 -0.000 0.000 0.219 407 A C 1.938 179.539 177.584 0.028 0.000 1.163 407 A CA 1.794 53.869 52.037 0.063 0.000 0.646 407 A CB -0.389 18.712 19.000 0.168 0.000 0.806 407 A HN 0.435 nan 8.150 nan 0.000 0.448 408 K N -1.763 118.582 120.400 -0.093 0.000 2.283 408 K HA -0.042 4.277 4.320 -0.000 0.000 0.202 408 K C -0.787 175.667 176.600 -0.244 0.000 1.048 408 K CA 0.488 56.658 56.287 -0.195 0.000 0.948 408 K CB -0.109 32.193 32.500 -0.330 0.000 0.742 408 K HN 0.364 nan 8.250 nan 0.000 0.458 409 F N 0.946 120.871 119.950 -0.041 0.000 2.300 409 F HA 0.271 4.798 4.527 -0.000 0.000 0.364 409 F C -1.923 173.928 175.800 0.086 0.000 1.090 409 F CA -2.693 55.306 58.000 -0.003 0.000 1.200 409 F CB 1.518 40.481 39.000 -0.062 0.000 1.493 409 F HN -0.031 nan 8.300 nan 0.000 0.518 410 P HA -0.166 nan 4.420 nan 0.000 0.220 410 P C 1.820 179.225 177.300 0.174 0.000 1.148 410 P CA 0.956 64.156 63.100 0.167 0.000 0.803 410 P CB 0.358 32.116 31.700 0.096 0.000 0.782 411 K N -1.154 119.363 120.400 0.195 0.000 2.155 411 K HA -0.060 4.259 4.320 -0.000 0.000 0.203 411 K C 1.849 178.531 176.600 0.138 0.000 1.052 411 K CA 1.018 57.390 56.287 0.141 0.000 0.948 411 K CB -0.857 31.722 32.500 0.131 0.000 0.728 411 K HN 0.174 nan 8.250 nan 0.000 0.448 412 F N 0.771 120.748 119.950 0.045 0.000 2.234 412 F HA -0.118 4.408 4.527 -0.000 0.000 0.296 412 F C 1.910 177.726 175.800 0.028 0.000 1.089 412 F CA 0.643 58.632 58.000 -0.019 0.000 1.343 412 F CB -0.104 38.837 39.000 -0.098 0.000 1.040 412 F HN -0.290 nan 8.300 nan 0.000 0.498 413 V N 0.384 120.447 119.914 0.248 0.000 2.332 413 V HA -0.310 3.810 4.120 -0.000 0.000 0.248 413 V C 2.211 178.430 176.094 0.208 0.000 1.055 413 V CA 2.342 64.877 62.300 0.391 0.000 1.038 413 V CB -0.639 31.430 31.823 0.410 0.000 0.651 413 V HN 0.382 nan 8.190 nan 0.000 0.450 414 D N -0.445 120.005 120.400 0.083 0.000 2.224 414 D HA -0.111 4.529 4.640 -0.000 0.000 0.205 414 D C 2.166 178.403 176.300 -0.105 0.000 0.965 414 D CA 1.462 55.477 54.000 0.025 0.000 0.852 414 D CB 0.141 40.958 40.800 0.029 0.000 0.947 414 D HN 0.454 nan 8.370 nan 0.000 0.494 415 T N 0.037 114.457 114.554 -0.223 0.000 2.684 415 T HA -0.118 4.232 4.350 -0.000 0.000 0.267 415 T C 2.194 176.623 174.700 -0.451 0.000 1.036 415 T CA 1.140 63.050 62.100 -0.315 0.000 1.148 415 T CB -0.325 68.285 68.868 -0.431 0.000 0.863 415 T HN -0.007 nan 8.240 nan 0.000 0.436 416 V N 1.637 121.098 119.914 -0.756 0.000 2.307 416 V HA -0.181 3.939 4.120 -0.000 0.000 0.245 416 V C 2.815 178.348 176.094 -0.935 0.000 1.045 416 V CA 2.001 63.675 62.300 -1.042 0.000 1.024 416 V CB -1.372 29.364 31.823 -1.811 0.000 0.651 416 V HN 0.521 nan 8.190 nan 0.000 0.449 417 T N -0.696 113.465 114.554 -0.656 0.000 2.653 417 T HA -0.336 4.013 4.350 -0.000 0.000 0.268 417 T C 1.863 176.423 174.700 -0.233 0.000 1.035 417 T CA 2.471 64.414 62.100 -0.262 0.000 1.154 417 T CB -0.465 68.442 68.868 0.065 0.000 0.862 417 T HN 0.720 nan 8.240 nan 0.000 0.441 418 H N 0.962 119.873 119.070 -0.265 0.000 2.319 418 H HA -0.008 4.548 4.556 -0.000 0.000 0.299 418 H C 2.021 177.168 175.328 -0.300 0.000 1.092 418 H CA 1.656 57.575 56.048 -0.215 0.000 1.302 418 H CB -0.492 29.173 29.762 -0.161 0.000 1.373 418 H HN 0.379 nan 8.280 nan 0.000 0.497 419 I N 0.150 120.430 120.570 -0.484 0.000 2.202 419 I HA -0.232 3.938 4.170 -0.000 0.000 0.242 419 I C 2.809 178.528 176.117 -0.663 0.000 1.091 419 I CA 1.005 61.855 61.300 -0.750 0.000 1.368 419 I CB -0.653 36.830 38.000 -0.862 0.000 1.058 419 I HN 0.422 nan 8.210 nan 0.000 0.410 420 A N 1.286 123.743 122.820 -0.605 0.000 1.948 420 A HA -0.234 4.085 4.320 -0.000 0.000 0.220 420 A C 2.090 179.527 177.584 -0.246 0.000 1.177 420 A CA 2.138 53.888 52.037 -0.478 0.000 0.636 420 A CB -0.712 17.894 19.000 -0.656 0.000 0.815 420 A HN 0.468 nan 8.150 nan 0.000 0.449 421 N N -0.555 117.988 118.700 -0.261 0.000 2.171 421 N HA -0.131 4.609 4.740 -0.000 0.000 0.184 421 N C 1.775 177.194 175.510 -0.151 0.000 1.021 421 N CA 1.449 54.397 53.050 -0.171 0.000 0.854 421 N CB -0.433 37.959 38.487 -0.159 0.000 0.994 421 N HN 0.817 nan 8.380 nan 0.000 0.426 422 E N 0.585 120.634 120.200 -0.252 0.000 2.058 422 E HA -0.201 4.148 4.350 -0.000 0.000 0.194 422 E C 1.847 178.476 176.600 0.047 0.000 0.997 422 E CA 0.961 57.279 56.400 -0.135 0.000 0.801 422 E CB -0.339 29.225 29.700 -0.226 0.000 0.746 422 E HN 0.226 nan 8.360 nan 0.000 0.450 423 F N 1.177 121.043 119.950 -0.141 0.000 2.065 423 F HA -0.220 4.307 4.527 -0.000 0.000 0.298 423 F C 2.519 178.374 175.800 0.092 0.000 1.112 423 F CA 2.186 60.198 58.000 0.021 0.000 1.212 423 F CB -0.053 38.860 39.000 -0.146 0.000 0.975 423 F HN -0.053 nan 8.300 nan 0.000 0.476 424 R N -0.438 120.213 120.500 0.252 0.000 2.090 424 R HA -0.154 4.186 4.340 -0.000 0.000 0.228 424 R C 1.904 178.226 176.300 0.036 0.000 1.110 424 R CA 1.416 57.611 56.100 0.158 0.000 0.973 424 R CB -0.655 29.688 30.300 0.072 0.000 0.869 424 R HN 0.322 nan 8.270 nan 0.000 0.440 425 D N 0.992 121.365 120.400 -0.044 0.000 2.104 425 D HA -0.150 4.490 4.640 -0.000 0.000 0.194 425 D C 1.746 177.887 176.300 -0.265 0.000 0.994 425 D CA 1.256 55.154 54.000 -0.171 0.000 0.830 425 D CB -0.017 40.668 40.800 -0.192 0.000 0.959 425 D HN 0.105 nan 8.370 nan 0.000 0.452 426 I N 0.073 120.554 120.570 -0.149 0.000 2.091 426 I HA -0.337 3.833 4.170 -0.000 0.000 0.239 426 I C 2.516 178.494 176.117 -0.232 0.000 1.061 426 I CA 1.454 62.663 61.300 -0.151 0.000 1.317 426 I CB -0.581 37.413 38.000 -0.011 0.000 1.031 426 I HN 0.268 nan 8.210 nan 0.000 0.401 427 H N 0.822 119.796 119.070 -0.161 0.000 2.319 427 H HA -0.194 4.362 4.556 -0.000 0.000 0.297 427 H C 1.896 177.136 175.328 -0.147 0.000 1.097 427 H CA 2.099 58.073 56.048 -0.123 0.000 1.285 427 H CB -0.247 29.489 29.762 -0.043 0.000 1.368 427 H HN 0.387 nan 8.280 nan 0.000 0.495 428 D N 0.041 120.419 120.400 -0.038 0.000 2.178 428 D HA -0.077 4.563 4.640 -0.000 0.000 0.202 428 D C 2.382 178.566 176.300 -0.194 0.000 0.974 428 D CA 0.699 54.639 54.000 -0.100 0.000 0.841 428 D CB -0.144 40.594 40.800 -0.104 0.000 0.953 428 D HN 0.318 nan 8.370 nan 0.000 0.478 429 R N -0.262 120.038 120.500 -0.333 0.000 2.093 429 R HA 0.004 4.343 4.340 -0.000 0.000 0.224 429 R C 2.183 178.276 176.300 -0.346 0.000 1.101 429 R CA 1.590 57.435 56.100 -0.426 0.000 0.979 429 R CB -0.077 29.724 30.300 -0.831 0.000 0.877 429 R HN 0.262 nan 8.270 nan 0.000 0.441 430 T N -4.255 110.078 114.554 -0.369 0.000 3.015 430 T HA 0.208 4.558 4.350 -0.000 0.000 0.250 430 T C 1.336 175.924 174.700 -0.185 0.000 1.057 430 T CA 0.336 62.205 62.100 -0.385 0.000 1.066 430 T CB 0.868 69.345 68.868 -0.651 0.000 0.959 430 T HN 0.310 nan 8.240 nan 0.000 0.488 431 G N 1.287 110.015 108.800 -0.120 0.000 2.198 431 G HA2 0.135 4.095 3.960 -0.000 0.000 0.257 431 G HA3 0.135 4.095 3.960 -0.000 0.000 0.257 431 G C 1.121 176.032 174.900 0.019 0.000 1.042 431 G CA 0.375 45.467 45.100 -0.014 0.000 0.791 431 G HN 1.708 nan 8.290 nan 0.000 0.502 432 G N -2.701 106.044 108.800 -0.090 0.000 2.180 432 G HA2 -0.081 3.879 3.960 -0.000 0.000 0.263 432 G HA3 -0.081 3.879 3.960 -0.000 0.000 0.263 432 G C 0.625 175.496 174.900 -0.048 0.000 0.989 432 G CA 0.792 45.799 45.100 -0.155 0.000 0.692 432 G HN 1.687 nan 8.290 nan 0.000 0.526 433 V N 0.840 120.741 119.914 -0.023 0.000 2.686 433 V HA 0.599 4.719 4.120 -0.000 0.000 0.295 433 V C 1.118 177.302 176.094 0.151 0.000 1.055 433 V CA -0.076 62.262 62.300 0.063 0.000 1.050 433 V CB 1.374 33.246 31.823 0.082 0.000 0.984 433 V HN 0.983 nan 8.190 nan 0.000 0.482 434 A N 4.149 127.056 122.820 0.145 0.000 2.371 434 A HA 0.712 5.031 4.320 -0.000 0.000 0.257 434 A C 0.674 178.334 177.584 0.127 0.000 1.089 434 A CA 0.118 52.247 52.037 0.154 0.000 0.794 434 A CB 0.278 19.324 19.000 0.076 0.000 1.029 434 A HN 1.384 nan 8.150 nan 0.000 0.488 435 A N 1.086 123.878 122.820 -0.045 0.000 2.492 435 A HA 0.311 4.631 4.320 -0.000 0.000 0.236 435 A C 0.600 177.991 177.584 -0.321 0.000 1.078 435 A CA 0.206 51.883 52.037 -0.601 0.000 0.773 435 A CB -0.060 18.525 19.000 -0.690 0.000 1.023 435 A HN 0.896 nan 8.150 nan 0.000 0.504 436 E N 0.642 120.609 120.200 -0.388 0.000 2.344 436 E HA 0.354 4.704 4.350 -0.000 0.000 0.270 436 E C 0.358 176.897 176.600 -0.101 0.000 1.021 436 E CA -0.029 56.250 56.400 -0.201 0.000 0.887 436 E CB 0.530 30.094 29.700 -0.226 0.000 0.997 436 E HN 0.715 nan 8.360 nan 0.000 0.429 437 G N 3.665 112.446 108.800 -0.032 0.000 2.325 437 G HA2 0.076 4.036 3.960 -0.000 0.000 0.298 437 G HA3 0.076 4.036 3.960 -0.000 0.000 0.298 437 G C 0.288 175.218 174.900 0.049 0.000 1.134 437 G CA -0.469 44.639 45.100 0.012 0.000 0.876 437 G HN 0.620 nan 8.290 nan 0.000 0.452 438 E N 1.471 121.730 120.200 0.098 0.000 2.478 438 E HA 0.149 4.498 4.350 -0.000 0.000 0.194 438 E C 0.629 177.243 176.600 0.023 0.000 1.045 438 E CA 0.364 56.855 56.400 0.153 0.000 0.868 438 E CB 0.414 30.333 29.700 0.365 0.000 0.885 438 E HN 0.398 nan 8.360 nan 0.000 0.505 439 L N 0.484 121.674 121.223 -0.056 0.000 2.540 439 L HA 0.344 4.684 4.340 -0.000 0.000 0.256 439 L C -0.875 175.954 176.870 -0.068 0.000 1.001 439 L CA -0.967 53.795 54.840 -0.131 0.000 0.843 439 L CB 1.977 43.842 42.059 -0.324 0.000 1.436 439 L HN -0.249 nan 8.230 nan 0.000 0.410 440 N N 1.263 119.933 118.700 -0.050 0.000 2.444 440 N HA 0.508 5.248 4.740 -0.000 0.000 0.262 440 N C -1.038 174.443 175.510 -0.048 0.000 0.974 440 N CA -0.247 52.782 53.050 -0.035 0.000 0.933 440 N CB 2.253 40.735 38.487 -0.007 0.000 1.137 440 N HN 0.155 nan 8.380 nan 0.000 0.498 441 V N 0.844 120.706 119.914 -0.087 0.000 2.555 441 V HA 0.816 4.936 4.120 -0.000 0.000 0.302 441 V C -0.135 175.832 176.094 -0.212 0.000 1.038 441 V CA -0.969 61.255 62.300 -0.125 0.000 0.887 441 V CB 1.587 33.332 31.823 -0.131 0.000 0.991 441 V HN 0.716 nan 8.190 nan 0.000 0.434 442 A N 5.391 128.072 122.820 -0.232 0.000 2.330 442 A HA 0.864 5.184 4.320 -0.000 0.000 0.313 442 A C -0.824 176.535 177.584 -0.374 0.000 1.124 442 A CA -0.523 51.317 52.037 -0.328 0.000 0.774 442 A CB 0.800 19.640 19.000 -0.266 0.000 1.198 442 A HN 0.771 nan 8.150 nan 0.000 0.465 443 I N 2.466 122.704 120.570 -0.554 0.000 2.342 443 I HA 0.272 4.442 4.170 -0.000 0.000 0.291 443 I C -0.525 175.385 176.117 -0.345 0.000 1.010 443 I CA -0.436 60.585 61.300 -0.465 0.000 1.308 443 I CB 1.437 39.048 38.000 -0.648 0.000 1.400 443 I HN 0.569 nan 8.210 nan 0.000 0.488 444 L N 8.626 129.690 121.223 -0.265 0.000 2.305 444 L HA 0.565 4.905 4.340 -0.000 0.000 0.284 444 L C -0.622 176.005 176.870 -0.405 0.000 1.013 444 L CA 0.114 54.740 54.840 -0.355 0.000 0.819 444 L CB 0.651 42.539 42.059 -0.285 0.000 1.227 444 L HN 0.805 nan 8.230 nan 0.000 0.417 445 N N 1.050 119.409 118.700 -0.569 0.000 3.243 445 N HA 0.345 5.084 4.740 -0.000 0.000 0.280 445 N C -0.041 175.177 175.510 -0.488 0.000 1.545 445 N CA -0.283 52.522 53.050 -0.408 0.000 0.854 445 N CB 0.627 39.102 38.487 -0.021 0.000 1.612 445 N HN 0.149 nan 8.380 nan 0.000 0.577 446 S N -1.339 114.242 115.700 -0.198 0.000 2.423 446 S HA -0.004 4.466 4.470 -0.000 0.000 0.231 446 S C 0.584 174.948 174.600 -0.393 0.000 1.014 446 S CA 0.971 59.015 58.200 -0.260 0.000 0.965 446 S CB -0.482 62.401 63.200 -0.528 0.000 0.785 446 S HN 0.590 nan 8.310 nan 0.000 0.495 447 W N 1.080 122.253 121.300 -0.211 0.000 2.574 447 W HA 0.359 5.019 4.660 -0.000 0.000 0.282 447 W C 1.789 178.208 176.519 -0.167 0.000 1.197 447 W CA 0.485 57.715 57.345 -0.192 0.000 1.376 447 W CB -0.689 28.632 29.460 -0.233 0.000 1.091 447 W HN 0.449 nan 8.180 nan 0.000 0.569 448 G N 1.097 109.931 108.800 0.058 0.000 2.527 448 G HA2 -0.484 3.476 3.960 -0.000 0.000 0.268 448 G HA3 -0.484 3.476 3.960 -0.000 0.000 0.268 448 G C 0.944 175.836 174.900 -0.014 0.000 1.175 448 G CA 0.797 45.894 45.100 -0.005 0.000 0.962 448 G HN 0.221 nan 8.290 nan 0.000 0.560 449 K N 0.589 120.979 120.400 -0.017 0.000 2.074 449 K HA -0.173 4.147 4.320 -0.000 0.000 0.209 449 K C 2.859 179.378 176.600 -0.135 0.000 1.048 449 K CA 2.810 59.061 56.287 -0.060 0.000 0.926 449 K CB -0.384 32.126 32.500 0.017 0.000 0.713 449 K HN 0.717 nan 8.250 nan 0.000 0.444 450 M N -0.774 118.804 119.600 -0.037 0.000 2.267 450 M HA -0.091 4.389 4.480 -0.000 0.000 0.263 450 M C 0.740 176.951 176.300 -0.149 0.000 1.063 450 M CA 1.451 56.741 55.300 -0.016 0.000 1.090 450 M CB -0.039 32.576 32.600 0.024 0.000 1.392 450 M HN -0.088 nan 8.290 nan 0.000 0.422 451 R N 1.602 121.932 120.500 -0.285 0.000 2.791 451 R HA 0.382 4.722 4.340 -0.000 0.000 0.357 451 R C -0.514 175.364 176.300 -0.704 0.000 1.173 451 R CA -0.117 55.715 56.100 -0.446 0.000 1.060 451 R CB -0.020 29.958 30.300 -0.536 0.000 1.406 451 R HN 0.315 nan 8.270 nan 0.000 0.580 452 S N 0.630 115.714 115.700 -1.026 0.000 2.596 452 S HA -0.089 4.381 4.470 -0.000 0.000 0.298 452 S C 0.180 174.010 174.600 -1.283 0.000 1.255 452 S CA 0.106 57.235 58.200 -1.786 0.000 1.083 452 S CB -0.029 62.147 63.200 -1.708 0.000 0.837 452 S HN 0.603 nan 8.310 nan 0.000 0.499 453 W N 0.601 120.963 121.300 -1.563 0.000 2.869 453 W HA -0.290 4.370 4.660 -0.000 0.000 0.285 453 W C 0.837 177.210 176.519 -0.243 0.000 1.098 453 W CA 0.189 57.214 57.345 -0.533 0.000 0.571 453 W CB -2.006 27.299 29.460 -0.258 0.000 2.131 453 W HN 0.623 nan 8.180 nan 0.000 1.367 454 M N -0.416 119.082 119.600 -0.170 0.000 2.313 454 M HA 0.330 4.810 4.480 -0.000 0.000 0.273 454 M C 1.415 177.650 176.300 -0.108 0.000 1.049 454 M CA 0.393 55.736 55.300 0.072 0.000 1.004 454 M CB 0.287 32.923 32.600 0.061 0.000 1.461 454 M HN 0.090 nan 8.290 nan 0.000 0.514 455 A N 0.384 122.989 122.820 -0.359 0.000 2.540 455 A HA 0.254 4.574 4.320 -0.000 0.000 0.239 455 A C 0.069 177.099 177.584 -0.923 0.000 1.061 455 A CA 0.353 51.761 52.037 -1.047 0.000 0.758 455 A CB -0.528 17.688 19.000 -1.307 0.000 0.991 455 A HN 0.630 nan 8.150 nan 0.000 0.502 456 F N -0.641 118.632 119.950 -1.128 0.000 2.656 456 F HA -0.192 4.335 4.527 0.000 0.000 0.381 456 F C 0.965 177.035 175.800 0.450 0.000 0.603 456 F CA 1.045 58.816 58.000 -0.382 0.000 1.335 456 F CB -2.491 36.473 39.000 -0.060 0.000 1.836 456 F HN 0.534 nan 8.300 nan 0.000 0.290 457 T N 1.078 115.968 114.554 0.560 0.000 2.832 457 T HA 0.523 4.873 4.350 -0.000 0.000 0.296 457 T C 1.179 176.306 174.700 0.712 0.000 0.968 457 T CA 0.124 62.560 62.100 0.560 0.000 1.107 457 T CB 2.158 71.353 68.868 0.545 0.000 0.916 457 T HN 0.020 nan 8.240 nan 0.000 0.517 458 V N 2.135 122.293 119.914 0.407 0.000 2.868 458 V HA 0.431 4.551 4.120 -0.000 0.000 0.227 458 V C 1.063 177.223 176.094 0.111 0.000 1.136 458 V CA 0.153 62.634 62.300 0.302 0.000 1.206 458 V CB -0.413 31.498 31.823 0.147 0.000 0.997 458 V HN 0.907 nan 8.190 nan 0.000 0.505 459 A N -0.068 122.748 122.820 -0.007 0.000 2.290 459 A HA 0.400 4.719 4.320 -0.000 0.000 0.310 459 A C 0.047 177.477 177.584 -0.258 0.000 1.202 459 A CA -0.273 51.696 52.037 -0.114 0.000 0.837 459 A CB -0.243 18.704 19.000 -0.088 0.000 1.139 459 A HN 0.562 nan 8.150 nan 0.000 0.509 460 H N 2.414 121.118 119.070 -0.609 0.000 3.192 460 H HA 0.082 4.638 4.556 -0.000 0.000 0.295 460 H C 1.257 176.264 175.328 -0.534 0.000 0.943 460 H CA 1.648 57.158 56.048 -0.896 0.000 1.416 460 H CB 0.296 29.120 29.762 -1.564 0.000 1.434 460 H HN 1.459 nan 8.280 nan 0.000 0.565 461 A N 4.402 126.711 122.820 -0.852 0.000 2.945 461 A HA -0.221 4.099 4.320 -0.000 0.000 0.263 461 A C 0.326 177.706 177.584 -0.340 0.000 1.293 461 A CA 1.198 52.912 52.037 -0.539 0.000 0.944 461 A CB -1.904 16.837 19.000 -0.432 0.000 1.093 461 A HN 0.636 nan 8.150 nan 0.000 0.786 462 L N 0.929 121.949 121.223 -0.338 0.000 2.581 462 L HA 0.333 4.673 4.340 -0.000 0.000 0.241 462 L C -1.954 174.768 176.870 -0.247 0.000 1.265 462 L CA -1.772 52.929 54.840 -0.231 0.000 0.954 462 L CB 1.080 43.048 42.059 -0.151 0.000 1.269 462 L HN 0.208 nan 8.230 nan 0.000 0.475 463 P HA 0.125 nan 4.420 nan 0.000 0.269 463 P C -1.049 176.200 177.300 -0.085 0.000 1.215 463 P CA -0.053 62.897 63.100 -0.251 0.000 0.780 463 P CB 0.983 32.532 31.700 -0.252 0.000 0.898 464 N N -0.320 118.384 118.700 0.007 0.000 3.283 464 N HA 0.219 4.959 4.740 -0.000 0.000 0.338 464 N C 0.838 176.400 175.510 0.086 0.000 1.517 464 N CA -0.953 52.091 53.050 -0.010 0.000 0.733 464 N CB 0.444 38.915 38.487 -0.026 0.000 1.797 464 N HN 0.238 nan 8.380 nan 0.000 0.637 465 K N -0.780 119.642 120.400 0.036 0.000 2.074 465 K HA -0.219 4.101 4.320 -0.000 0.000 0.209 465 K C 1.048 177.823 176.600 0.291 0.000 1.048 465 K CA 1.910 58.282 56.287 0.140 0.000 0.926 465 K CB -0.110 32.426 32.500 0.060 0.000 0.713 465 K HN 0.532 nan 8.250 nan 0.000 0.444 466 Q N -0.763 119.133 119.800 0.160 0.000 2.389 466 Q HA -0.030 4.310 4.340 -0.000 0.000 0.204 466 Q C 1.632 177.756 176.000 0.206 0.000 0.944 466 Q CA 1.521 57.401 55.803 0.129 0.000 0.908 466 Q CB 0.605 29.342 28.738 -0.002 0.000 1.002 466 Q HN 0.586 nan 8.270 nan 0.000 0.493 467 T N -3.692 111.019 114.554 0.262 0.000 2.955 467 T HA -0.014 4.336 4.350 -0.000 0.000 0.251 467 T C 1.634 176.525 174.700 0.318 0.000 1.002 467 T CA 0.052 62.408 62.100 0.427 0.000 0.970 467 T CB -0.455 68.682 68.868 0.448 0.000 1.091 467 T HN 0.388 nan 8.240 nan 0.000 0.495 468 Y N 2.183 122.540 120.300 0.095 0.000 2.352 468 Y HA 0.189 4.738 4.550 -0.000 0.000 0.292 468 Y C 2.097 177.990 175.900 -0.011 0.000 1.136 468 Y CA 0.762 58.911 58.100 0.081 0.000 1.227 468 Y CB -0.618 37.868 38.460 0.044 0.000 0.991 468 Y HN 0.163 nan 8.280 nan 0.000 0.545 469 S N -0.199 114.983 115.700 -0.863 0.000 2.453 469 S HA -0.073 4.397 4.470 -0.000 0.000 0.231 469 S C 0.950 175.065 174.600 -0.809 0.000 1.005 469 S CA 1.170 58.807 58.200 -0.938 0.000 0.949 469 S CB -0.412 62.174 63.200 -1.024 0.000 0.774 469 S HN 0.629 nan 8.310 nan 0.000 0.510 470 Y N -1.450 118.627 120.300 -0.372 0.000 2.500 470 Y HA 0.257 4.807 4.550 0.000 0.000 0.284 470 Y C 2.016 177.509 175.900 -0.679 0.000 1.118 470 Y CA -0.614 57.024 58.100 -0.769 0.000 1.241 470 Y CB -0.885 36.705 38.460 -1.451 0.000 1.171 470 Y HN 0.186 nan 8.280 nan 0.000 0.540 471 Y N 1.205 121.354 120.300 -0.252 0.000 2.256 471 Y HA -0.176 4.374 4.550 -0.000 0.000 0.288 471 Y C 2.445 178.375 175.900 0.051 0.000 1.155 471 Y CA 1.442 59.568 58.100 0.044 0.000 1.203 471 Y CB -0.683 37.866 38.460 0.149 0.000 0.980 471 Y HN 0.132 nan 8.280 nan 0.000 0.530 472 G N 0.222 109.063 108.800 0.067 0.000 2.475 472 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.220 472 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.220 472 G C 1.700 176.612 174.900 0.020 0.000 1.125 472 G CA 1.353 46.496 45.100 0.071 0.000 0.755 472 G HN 0.512 nan 8.290 nan 0.000 0.565 473 I N 0.264 120.813 120.570 -0.035 0.000 2.142 473 I HA -0.161 4.008 4.170 -0.000 0.000 0.240 473 I C 2.742 178.883 176.117 0.039 0.000 1.078 473 I CA 0.813 62.114 61.300 0.002 0.000 1.343 473 I CB -0.323 37.679 38.000 0.004 0.000 1.046 473 I HN 0.108 nan 8.210 nan 0.000 0.405 474 L N 0.280 121.529 121.223 0.042 0.000 2.042 474 L HA -0.237 4.103 4.340 -0.000 0.000 0.210 474 L C 2.634 179.541 176.870 0.062 0.000 1.076 474 L CA 1.616 56.540 54.840 0.140 0.000 0.749 474 L CB -0.665 41.469 42.059 0.126 0.000 0.893 474 L HN 0.295 nan 8.230 nan 0.000 0.432 475 E N 0.080 120.151 120.200 -0.215 0.000 2.106 475 E HA -0.144 4.206 4.350 -0.000 0.000 0.192 475 E C 2.204 178.654 176.600 -0.250 0.000 0.984 475 E CA 1.359 57.544 56.400 -0.359 0.000 0.806 475 E CB 0.061 29.450 29.700 -0.519 0.000 0.750 475 E HN 0.233 nan 8.360 nan 0.000 0.458 476 S N -0.012 115.697 115.700 0.016 0.000 2.356 476 S HA -0.087 4.383 4.470 -0.000 0.000 0.223 476 S C 1.827 176.487 174.600 0.099 0.000 1.032 476 S CA 1.136 59.430 58.200 0.158 0.000 1.005 476 S CB -0.276 63.028 63.200 0.173 0.000 0.867 476 S HN 0.286 nan 8.310 nan 0.000 0.449 477 L N 1.884 123.182 121.223 0.124 0.000 2.275 477 L HA -0.065 4.275 4.340 -0.000 0.000 0.215 477 L C 2.627 179.633 176.870 0.227 0.000 1.119 477 L CA 1.083 56.039 54.840 0.192 0.000 0.790 477 L CB -0.691 41.501 42.059 0.221 0.000 0.919 477 L HN 0.425 nan 8.230 nan 0.000 0.443 478 S N -0.481 115.259 115.700 0.066 0.000 2.399 478 S HA -0.095 4.375 4.470 -0.000 0.000 0.231 478 S C 1.646 176.116 174.600 -0.217 0.000 1.022 478 S CA 1.081 59.102 58.200 -0.298 0.000 0.983 478 S CB -0.378 62.535 63.200 -0.479 0.000 0.803 478 S HN 0.416 nan 8.310 nan 0.000 0.480 479 G N 0.178 108.911 108.800 -0.111 0.000 3.596 479 G HA2 0.451 4.411 3.960 -0.000 0.000 0.274 479 G HA3 0.451 4.411 3.960 -0.000 0.000 0.274 479 G C -0.097 174.790 174.900 -0.022 0.000 1.007 479 G CA -0.519 44.529 45.100 -0.088 0.000 0.825 479 G HN 0.463 nan 8.290 nan 0.000 0.508 480 M N 1.388 121.004 119.600 0.027 0.000 2.288 480 M HA 0.342 4.822 4.480 -0.000 0.000 0.334 480 M C 1.249 177.583 176.300 0.056 0.000 1.150 480 M CA -0.864 54.473 55.300 0.061 0.000 1.118 480 M CB 0.961 33.621 32.600 0.100 0.000 1.501 480 M HN 0.187 nan 8.290 nan 0.000 0.462 481 R N 2.896 123.438 120.500 0.069 0.000 4.160 481 R HA 0.237 4.577 4.340 -0.000 0.000 0.216 481 R C -0.866 175.489 176.300 0.092 0.000 2.009 481 R CA -0.306 55.830 56.100 0.060 0.000 1.664 481 R CB -1.380 28.961 30.300 0.069 0.000 1.216 481 R HN 0.446 nan 8.270 nan 0.000 0.648 482 V N -2.778 117.178 119.914 0.070 0.000 3.130 482 V HA 0.488 4.608 4.120 -0.000 0.000 0.310 482 V C -1.051 175.066 176.094 0.038 0.000 1.158 482 V CA -1.479 60.845 62.300 0.040 0.000 1.029 482 V CB 2.273 34.102 31.823 0.011 0.000 1.057 482 V HN 0.176 nan 8.190 nan 0.000 0.436 483 N N 1.265 119.975 118.700 0.016 0.000 2.419 483 N HA 0.575 5.314 4.740 -0.000 0.000 0.264 483 N C -0.744 174.760 175.510 -0.010 0.000 1.031 483 N CA -0.145 52.921 53.050 0.026 0.000 0.951 483 N CB 1.744 40.241 38.487 0.018 0.000 1.101 483 N HN 0.656 nan 8.380 nan 0.000 0.488 484 V N 2.960 122.884 119.914 0.016 0.000 2.513 484 V HA 0.553 4.673 4.120 -0.000 0.000 0.299 484 V C 0.366 176.335 176.094 -0.208 0.000 1.035 484 V CA -0.795 61.416 62.300 -0.148 0.000 0.889 484 V CB 1.561 33.292 31.823 -0.152 0.000 0.988 484 V HN 0.697 nan 8.190 nan 0.000 0.440 485 R N 3.029 123.290 120.500 -0.397 0.000 2.808 485 R HA 0.719 5.058 4.340 -0.000 0.000 0.272 485 R C -2.024 173.907 176.300 -0.614 0.000 0.995 485 R CA -0.737 55.176 56.100 -0.311 0.000 0.917 485 R CB 1.827 32.041 30.300 -0.143 0.000 1.217 485 R HN 0.388 nan 8.270 nan 0.000 0.471 486 F N 2.715 122.488 119.950 -0.295 0.000 2.427 486 F HA 0.496 5.022 4.527 -0.000 0.000 0.348 486 F C 0.156 175.811 175.800 -0.241 0.000 1.125 486 F CA -0.811 56.998 58.000 -0.317 0.000 0.989 486 F CB 1.790 40.552 39.000 -0.395 0.000 1.165 486 F HN 0.435 nan 8.300 nan 0.000 0.442 487 I N -0.027 120.454 120.570 -0.148 0.000 2.740 487 I HA 0.824 4.994 4.170 -0.000 0.000 0.303 487 I C -0.433 175.535 176.117 -0.248 0.000 1.044 487 I CA -0.833 60.365 61.300 -0.171 0.000 1.064 487 I CB 2.249 40.127 38.000 -0.204 0.000 1.249 487 I HN 0.480 nan 8.210 nan 0.000 0.433 488 S N 2.636 118.197 115.700 -0.231 0.000 2.681 488 S HA 0.513 4.983 4.470 -0.000 0.000 0.299 488 S C 0.437 174.814 174.600 -0.370 0.000 1.113 488 S CA -0.595 57.416 58.200 -0.315 0.000 1.013 488 S CB 1.268 64.373 63.200 -0.158 0.000 1.076 488 S HN 0.592 nan 8.310 nan 0.000 0.534 489 F N 1.028 120.848 119.950 -0.218 0.000 2.216 489 F HA -0.035 4.491 4.527 -0.000 0.000 0.300 489 F C 2.105 177.763 175.800 -0.237 0.000 1.085 489 F CA 1.160 58.993 58.000 -0.279 0.000 1.326 489 F CB -0.606 38.167 39.000 -0.378 0.000 1.027 489 F HN 0.543 nan 8.300 nan 0.000 0.497 490 D N 0.247 120.619 120.400 -0.046 0.000 2.097 490 D HA -0.156 4.484 4.640 -0.000 0.000 0.197 490 D C 1.796 178.038 176.300 -0.097 0.000 0.984 490 D CA 1.442 55.393 54.000 -0.082 0.000 0.826 490 D CB -0.475 40.280 40.800 -0.074 0.000 0.973 490 D HN 0.232 nan 8.370 nan 0.000 0.460 491 D N 0.581 120.939 120.400 -0.071 0.000 2.116 491 D HA -0.121 4.519 4.640 -0.000 0.000 0.193 491 D C 2.321 178.589 176.300 -0.053 0.000 0.998 491 D CA 0.585 54.578 54.000 -0.013 0.000 0.836 491 D CB -0.382 40.407 40.800 -0.019 0.000 0.951 491 D HN 0.086 nan 8.370 nan 0.000 0.449 492 V N 0.911 120.763 119.914 -0.104 0.000 2.427 492 V HA -0.183 3.937 4.120 -0.000 0.000 0.248 492 V C 2.615 178.643 176.094 -0.111 0.000 1.051 492 V CA 1.043 63.275 62.300 -0.114 0.000 1.048 492 V CB -0.381 31.359 31.823 -0.138 0.000 0.666 492 V HN 0.172 nan 8.190 nan 0.000 0.456 493 L N -0.149 121.000 121.223 -0.124 0.000 2.109 493 L HA -0.074 4.266 4.340 -0.000 0.000 0.207 493 L C 2.671 179.434 176.870 -0.179 0.000 1.086 493 L CA 1.434 56.192 54.840 -0.136 0.000 0.760 493 L CB -0.695 41.281 42.059 -0.137 0.000 0.910 493 L HN 0.341 nan 8.230 nan 0.000 0.437 494 A N -0.864 121.791 122.820 -0.276 0.000 1.872 494 A HA -0.141 4.179 4.320 -0.000 0.000 0.214 494 A C 1.776 179.047 177.584 -0.521 0.000 1.187 494 A CA 1.195 52.943 52.037 -0.482 0.000 0.614 494 A CB -0.394 18.159 19.000 -0.745 0.000 0.826 494 A HN 0.482 nan 8.150 nan 0.000 0.442 495 H N -1.346 117.692 119.070 -0.053 0.000 2.784 495 H HA 0.364 4.920 4.556 -0.000 0.000 0.273 495 H C 1.286 176.581 175.328 -0.055 0.000 1.112 495 H CA 0.284 56.304 56.048 -0.047 0.000 1.162 495 H CB -0.206 29.529 29.762 -0.046 0.000 1.586 495 H HN 0.664 nan 8.280 nan 0.000 0.548 496 G N 1.733 110.533 108.800 -0.000 0.000 2.698 496 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.233 496 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.233 496 G C -0.336 174.513 174.900 -0.085 0.000 1.352 496 G CA -0.305 44.776 45.100 -0.032 0.000 0.879 496 G HN 0.241 nan 8.290 nan 0.000 0.567 497 I N 1.235 121.711 120.570 -0.157 0.000 2.321 497 I HA 0.231 4.401 4.170 -0.000 0.000 0.291 497 I C -0.058 175.944 176.117 -0.193 0.000 0.998 497 I CA -0.625 60.479 61.300 -0.326 0.000 1.227 497 I CB 1.261 38.782 38.000 -0.799 0.000 1.368 497 I HN 0.374 nan 8.210 nan 0.000 0.466 498 D N 3.504 123.816 120.400 -0.146 0.000 2.506 498 D HA -0.049 4.591 4.640 -0.000 0.000 0.234 498 D C 1.282 177.591 176.300 0.016 0.000 1.143 498 D CA 0.369 54.337 54.000 -0.053 0.000 0.871 498 D CB 0.875 41.641 40.800 -0.057 0.000 1.190 498 D HN 0.598 nan 8.370 nan 0.000 0.459 499 S N 0.821 116.558 115.700 0.062 0.000 2.522 499 S HA -0.142 4.328 4.470 -0.000 0.000 0.227 499 S C 1.048 175.727 174.600 0.132 0.000 0.986 499 S CA 0.393 58.671 58.200 0.131 0.000 0.929 499 S CB 0.027 63.285 63.200 0.098 0.000 0.769 499 S HN 0.575 nan 8.310 nan 0.000 0.529 500 D N 1.037 121.488 120.400 0.085 0.000 2.350 500 D HA 0.113 4.753 4.640 -0.000 0.000 0.213 500 D C 0.454 176.806 176.300 0.088 0.000 1.031 500 D CA -0.348 53.697 54.000 0.074 0.000 0.861 500 D CB -0.459 40.365 40.800 0.040 0.000 0.926 500 D HN 0.429 nan 8.370 nan 0.000 0.520 501 I N 1.747 122.384 120.570 0.112 0.000 2.556 501 I HA -0.032 4.138 4.170 -0.000 0.000 0.284 501 I C 1.066 177.356 176.117 0.289 0.000 1.114 501 I CA 0.011 61.386 61.300 0.126 0.000 1.418 501 I CB 0.893 38.899 38.000 0.010 0.000 1.394 501 I HN -0.181 nan 8.210 nan 0.000 0.552 502 D N 4.579 125.093 120.400 0.189 0.000 2.338 502 D HA 0.099 4.739 4.640 -0.000 0.000 0.224 502 D C 0.047 176.492 176.300 0.243 0.000 0.967 502 D CA 1.193 55.291 54.000 0.163 0.000 0.896 502 D CB 0.728 41.539 40.800 0.018 0.000 1.028 502 D HN 0.202 nan 8.370 nan 0.000 0.493 503 V N 1.871 121.904 119.914 0.198 0.000 2.638 503 V HA 0.370 4.490 4.120 -0.000 0.000 0.306 503 V C -0.201 175.970 176.094 0.128 0.000 1.052 503 V CA -0.727 61.692 62.300 0.198 0.000 0.885 503 V CB 2.766 34.612 31.823 0.039 0.000 0.999 503 V HN -0.052 nan 8.190 nan 0.000 0.424 504 I N 4.923 125.600 120.570 0.178 0.000 2.392 504 I HA 0.507 4.676 4.170 -0.000 0.000 0.295 504 I C -0.618 175.396 176.117 -0.172 0.000 0.985 504 I CA -0.448 60.843 61.300 -0.016 0.000 1.221 504 I CB 1.688 39.712 38.000 0.040 0.000 1.366 504 I HN 0.431 nan 8.210 nan 0.000 0.467 505 I N 6.118 126.545 120.570 -0.239 0.000 2.378 505 I HA 0.329 4.499 4.170 -0.000 0.000 0.291 505 I C -0.303 175.652 176.117 -0.270 0.000 0.992 505 I CA -0.487 60.623 61.300 -0.316 0.000 1.154 505 I CB 1.529 39.397 38.000 -0.220 0.000 1.315 505 I HN 0.580 nan 8.210 nan 0.000 0.448 506 N N 4.716 123.201 118.700 -0.357 0.000 2.399 506 N HA 0.664 5.404 4.740 -0.000 0.000 0.284 506 N C -1.084 174.388 175.510 -0.062 0.000 1.025 506 N CA -0.191 52.815 53.050 -0.073 0.000 0.885 506 N CB 2.493 41.111 38.487 0.218 0.000 1.339 506 N HN 0.866 nan 8.380 nan 0.000 0.487 507 G N 0.646 109.481 108.800 0.059 0.000 2.704 507 G HA2 0.770 4.730 3.960 -0.000 0.000 0.293 507 G HA3 0.770 4.730 3.960 -0.000 0.000 0.293 507 G C -0.741 174.195 174.900 0.059 0.000 1.421 507 G CA -0.197 44.933 45.100 0.051 0.000 0.870 507 G HN 0.790 nan 8.290 nan 0.000 0.492 508 G N -0.193 108.425 108.800 -0.303 0.000 2.361 508 G HA2 0.442 4.402 3.960 -0.000 0.000 0.331 508 G HA3 0.442 4.402 3.960 -0.000 0.000 0.331 508 G C -3.508 171.162 174.900 -0.383 0.000 1.324 508 G CA -0.363 44.333 45.100 -0.674 0.000 0.984 508 G HN 0.693 nan 8.290 nan 0.000 0.586 509 P HA 0.490 nan 4.420 nan 0.000 0.278 509 P C 0.417 177.816 177.300 0.166 0.000 1.266 509 P CA -0.616 62.580 63.100 0.160 0.000 0.807 509 P CB 1.092 32.981 31.700 0.314 0.000 1.094 510 V N 1.107 121.149 119.914 0.213 0.000 2.872 510 V HA 0.003 4.123 4.120 -0.000 0.000 0.307 510 V C 0.167 176.359 176.094 0.164 0.000 1.072 510 V CA 0.873 63.271 62.300 0.164 0.000 1.148 510 V CB -0.952 31.052 31.823 0.301 0.000 0.954 510 V HN 0.661 nan 8.190 nan 0.000 0.490 511 D N 2.325 122.787 120.400 0.104 0.000 2.870 511 D HA -0.129 4.511 4.640 -0.000 0.000 0.228 511 D C 0.250 176.613 176.300 0.104 0.000 1.147 511 D CA 1.472 55.525 54.000 0.089 0.000 0.757 511 D CB -1.377 39.490 40.800 0.112 0.000 1.091 511 D HN 1.085 nan 8.370 nan 0.000 0.429 512 T N -5.133 109.485 114.554 0.106 0.000 2.942 512 T HA 0.767 5.117 4.350 -0.000 0.000 0.289 512 T C 1.552 176.198 174.700 -0.090 0.000 1.044 512 T CA -0.306 61.852 62.100 0.097 0.000 1.023 512 T CB 2.047 71.077 68.868 0.269 0.000 1.123 512 T HN -0.038 nan 8.240 nan 0.000 0.512 513 A N 0.224 122.862 122.820 -0.304 0.000 1.986 513 A HA 0.045 4.364 4.320 -0.000 0.000 0.220 513 A C 1.617 178.866 177.584 -0.559 0.000 1.171 513 A CA 1.379 53.055 52.037 -0.601 0.000 0.640 513 A CB -1.146 17.312 19.000 -0.903 0.000 0.811 513 A HN 0.771 nan 8.150 nan 0.000 0.451 514 F N 0.203 120.086 119.950 -0.112 0.000 2.569 514 F HA 0.004 4.531 4.527 -0.000 0.000 0.295 514 F C 2.678 178.504 175.800 0.042 0.000 1.115 514 F CA 1.392 59.302 58.000 -0.151 0.000 1.450 514 F CB -0.730 38.013 39.000 -0.429 0.000 1.107 514 F HN 0.313 nan 8.300 nan 0.000 0.563 515 T N -3.696 110.986 114.554 0.213 0.000 2.901 515 T HA 0.461 4.811 4.350 -0.000 0.000 0.252 515 T C 1.955 176.938 174.700 0.471 0.000 1.035 515 T CA 0.971 63.252 62.100 0.303 0.000 1.142 515 T CB -0.105 68.848 68.868 0.141 0.000 0.869 515 T HN 0.335 nan 8.240 nan 0.000 0.442 516 G N 0.343 109.251 108.800 0.180 0.000 2.421 516 G HA2 0.333 4.293 3.960 -0.000 0.000 0.188 516 G HA3 0.333 4.293 3.960 -0.000 0.000 0.188 516 G C 0.974 175.732 174.900 -0.237 0.000 1.001 516 G CA 0.392 45.423 45.100 -0.116 0.000 0.693 516 G HN 1.480 nan 8.290 nan 0.000 0.479 517 G N 0.729 109.504 108.800 -0.041 0.000 2.527 517 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.268 517 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.268 517 G C 0.447 175.277 174.900 -0.117 0.000 1.175 517 G CA 0.936 45.996 45.100 -0.067 0.000 0.962 517 G HN 0.700 nan 8.290 nan 0.000 0.560 518 D N 0.234 120.529 120.400 -0.174 0.000 2.378 518 D HA 0.090 4.730 4.640 -0.000 0.000 0.222 518 D C 2.362 178.462 176.300 -0.334 0.000 0.980 518 D CA 0.890 54.763 54.000 -0.212 0.000 0.907 518 D CB 0.026 40.722 40.800 -0.173 0.000 0.899 518 D HN 0.396 nan 8.370 nan 0.000 0.527 519 V N -0.544 119.079 119.914 -0.484 0.000 2.546 519 V HA -0.225 3.895 4.120 -0.000 0.000 0.254 519 V C 1.361 177.043 176.094 -0.688 0.000 1.076 519 V CA 1.468 63.355 62.300 -0.688 0.000 1.087 519 V CB -0.419 30.753 31.823 -1.084 0.000 0.674 519 V HN 0.353 nan 8.190 nan 0.000 0.470 520 W N 0.132 121.153 121.300 -0.465 0.000 2.825 520 W HA -0.036 4.624 4.660 -0.000 0.000 0.243 520 W C 2.291 178.571 176.519 -0.398 0.000 1.293 520 W CA 0.928 58.048 57.345 -0.375 0.000 1.403 520 W CB -0.309 28.966 29.460 -0.309 0.000 1.134 520 W HN 0.443 nan 8.180 nan 0.000 0.666 521 T N -3.285 111.049 114.554 -0.368 0.000 3.086 521 T HA 0.024 4.374 4.350 -0.000 0.000 0.250 521 T C 0.687 175.093 174.700 -0.490 0.000 1.074 521 T CA -0.223 61.411 62.100 -0.777 0.000 0.988 521 T CB -0.283 67.881 68.868 -1.173 0.000 0.988 521 T HN -0.138 nan 8.240 nan 0.000 0.530 522 N N 3.492 121.994 118.700 -0.329 0.000 2.415 522 N HA 0.173 4.913 4.740 -0.000 0.000 0.250 522 N C -1.438 173.982 175.510 -0.151 0.000 1.127 522 N CA -2.302 50.607 53.050 -0.235 0.000 0.945 522 N CB 1.550 39.878 38.487 -0.265 0.000 1.196 522 N HN 0.101 nan 8.380 nan 0.000 0.499 523 P HA -0.193 nan 4.420 nan 0.000 0.218 523 P C 1.094 178.379 177.300 -0.025 0.000 1.148 523 P CA 1.136 64.224 63.100 -0.019 0.000 0.822 523 P CB 0.464 32.173 31.700 0.015 0.000 0.784 524 K N -0.329 120.039 120.400 -0.054 0.000 2.063 524 K HA -0.175 4.145 4.320 -0.000 0.000 0.208 524 K C 2.124 178.688 176.600 -0.060 0.000 1.048 524 K CA 1.118 57.373 56.287 -0.053 0.000 0.928 524 K CB -0.659 31.798 32.500 -0.072 0.000 0.713 524 K HN -0.027 nan 8.250 nan 0.000 0.442 525 L N 0.748 121.905 121.223 -0.109 0.000 2.017 525 L HA -0.130 4.209 4.340 -0.000 0.000 0.208 525 L C 2.030 178.884 176.870 -0.026 0.000 1.073 525 L CA 1.451 56.209 54.840 -0.136 0.000 0.745 525 L CB -0.521 41.340 42.059 -0.331 0.000 0.894 525 L HN 0.019 nan 8.230 nan 0.000 0.432 526 V N -0.079 119.854 119.914 0.031 0.000 2.343 526 V HA -0.303 3.817 4.120 -0.000 0.000 0.247 526 V C 2.529 178.670 176.094 0.079 0.000 1.051 526 V CA 2.064 64.430 62.300 0.109 0.000 1.036 526 V CB -0.597 31.292 31.823 0.111 0.000 0.654 526 V HN 0.517 nan 8.190 nan 0.000 0.451 527 E N -0.227 120.006 120.200 0.054 0.000 2.058 527 E HA -0.212 4.138 4.350 -0.000 0.000 0.194 527 E C 2.271 178.916 176.600 0.076 0.000 0.997 527 E CA 1.968 58.405 56.400 0.061 0.000 0.801 527 E CB -0.372 29.352 29.700 0.039 0.000 0.746 527 E HN 0.582 nan 8.360 nan 0.000 0.450 528 T N 0.598 115.184 114.554 0.053 0.000 2.708 528 T HA -0.133 4.217 4.350 -0.000 0.000 0.266 528 T C 2.088 176.860 174.700 0.120 0.000 1.037 528 T CA 1.302 63.439 62.100 0.062 0.000 1.146 528 T CB -0.199 68.670 68.868 0.002 0.000 0.865 528 T HN -0.025 nan 8.240 nan 0.000 0.435 529 V N 1.357 121.335 119.914 0.107 0.000 2.283 529 V HA -0.108 4.012 4.120 -0.000 0.000 0.243 529 V C 2.639 178.852 176.094 0.198 0.000 1.039 529 V CA 1.408 63.800 62.300 0.153 0.000 1.016 529 V CB -0.581 31.281 31.823 0.066 0.000 0.650 529 V HN 0.343 nan 8.190 nan 0.000 0.449 530 R N 0.400 120.978 120.500 0.130 0.000 2.096 530 R HA -0.215 4.125 4.340 -0.000 0.000 0.240 530 R C 2.425 178.893 176.300 0.280 0.000 1.139 530 R CA 1.756 57.980 56.100 0.207 0.000 0.952 530 R CB -0.721 29.705 30.300 0.210 0.000 0.854 530 R HN 0.550 nan 8.270 nan 0.000 0.436 531 A N 0.091 123.038 122.820 0.213 0.000 1.930 531 A HA -0.194 4.126 4.320 -0.000 0.000 0.217 531 A C 1.889 179.602 177.584 0.215 0.000 1.175 531 A CA 1.145 53.288 52.037 0.177 0.000 0.627 531 A CB -0.752 18.330 19.000 0.137 0.000 0.815 531 A HN 0.626 nan 8.150 nan 0.000 0.443 532 W N 0.579 121.922 121.300 0.073 0.000 2.409 532 W HA -0.117 4.543 4.660 -0.000 0.000 0.299 532 W C 1.825 178.399 176.519 0.092 0.000 1.203 532 W CA 1.980 59.366 57.345 0.068 0.000 1.298 532 W CB -0.152 29.343 29.460 0.058 0.000 1.127 532 W HN 0.090 nan 8.180 nan 0.000 0.528 533 V N 1.099 121.108 119.914 0.158 0.000 2.358 533 V HA -0.252 3.868 4.120 -0.000 0.000 0.246 533 V C 2.359 178.490 176.094 0.061 0.000 1.047 533 V CA 2.172 64.471 62.300 -0.002 0.000 1.035 533 V CB -1.088 30.821 31.823 0.143 0.000 0.658 533 V HN 0.040 nan 8.190 nan 0.000 0.452 534 R N 1.277 121.885 120.500 0.179 0.000 2.105 534 R HA -0.120 4.220 4.340 -0.000 0.000 0.239 534 R C 2.097 178.374 176.300 -0.039 0.000 1.135 534 R CA 1.626 57.760 56.100 0.057 0.000 0.967 534 R CB -1.059 29.240 30.300 -0.000 0.000 0.861 534 R HN 0.524 nan 8.270 nan 0.000 0.442 535 G N -2.477 106.282 108.800 -0.069 0.000 2.920 535 G HA2 0.222 4.182 3.960 -0.000 0.000 0.208 535 G HA3 0.222 4.182 3.960 -0.000 0.000 0.208 535 G C 0.720 175.505 174.900 -0.192 0.000 1.159 535 G CA 0.458 45.491 45.100 -0.112 0.000 0.784 535 G HN 0.570 nan 8.290 nan 0.000 0.535 536 G N -1.713 106.940 108.800 -0.245 0.000 2.227 536 G HA2 0.045 4.004 3.960 -0.000 0.000 0.168 536 G HA3 0.045 4.004 3.960 -0.000 0.000 0.168 536 G C 0.736 175.362 174.900 -0.456 0.000 1.006 536 G CA 0.078 45.022 45.100 -0.261 0.000 0.684 536 G HN 0.877 nan 8.290 nan 0.000 0.489 537 G N -0.058 108.194 108.800 -0.914 0.000 2.684 537 G HA2 0.681 4.641 3.960 -0.000 0.000 0.255 537 G HA3 0.681 4.641 3.960 -0.000 0.000 0.255 537 G C 0.171 174.686 174.900 -0.642 0.000 1.219 537 G CA 0.564 44.694 45.100 -1.617 0.000 0.901 537 G HN 1.585 nan 8.290 nan 0.000 0.548 538 A N -0.558 122.078 122.820 -0.306 0.000 2.374 538 A HA 0.659 4.978 4.320 -0.000 0.000 0.305 538 A C -1.561 176.238 177.584 0.359 0.000 1.053 538 A CA -0.551 51.525 52.037 0.065 0.000 0.726 538 A CB 1.351 20.371 19.000 0.034 0.000 1.229 538 A HN 0.754 nan 8.150 nan 0.000 0.431 539 F N 3.038 123.070 119.950 0.137 0.000 2.449 539 F HA 0.611 5.138 4.527 -0.000 0.000 0.342 539 F C -0.845 174.993 175.800 0.063 0.000 1.127 539 F CA -0.611 57.470 58.000 0.134 0.000 0.975 539 F CB 1.938 41.000 39.000 0.104 0.000 1.146 539 F HN 0.325 nan 8.300 nan 0.000 0.444 540 V N 5.584 125.193 119.914 -0.508 0.000 2.378 540 V HA 0.596 4.716 4.120 -0.000 0.000 0.288 540 V C 0.257 175.987 176.094 -0.606 0.000 1.016 540 V CA -0.668 61.409 62.300 -0.371 0.000 0.840 540 V CB 1.221 32.925 31.823 -0.198 0.000 0.994 540 V HN 0.939 nan 8.190 nan 0.000 0.431 541 G N 3.810 112.396 108.800 -0.358 0.000 2.335 541 G HA2 0.592 4.552 3.960 -0.000 0.000 0.316 541 G HA3 0.592 4.552 3.960 -0.000 0.000 0.316 541 G C -0.886 173.880 174.900 -0.223 0.000 1.129 541 G CA -0.376 44.571 45.100 -0.255 0.000 0.899 541 G HN 0.538 nan 8.290 nan 0.000 0.448 542 V N 2.878 122.677 119.914 -0.193 0.000 2.417 542 V HA 0.798 4.918 4.120 -0.000 0.000 0.291 542 V C 1.135 177.227 176.094 -0.003 0.000 1.024 542 V CA 0.748 62.950 62.300 -0.164 0.000 0.861 542 V CB 0.380 32.166 31.823 -0.061 0.000 0.985 542 V HN 1.546 nan 8.190 nan 0.000 0.436 543 G N 5.126 113.919 108.800 -0.012 0.000 3.031 543 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.289 543 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.289 543 G C 0.148 175.208 174.900 0.267 0.000 1.393 543 G CA 0.366 45.632 45.100 0.277 0.000 1.010 543 G HN 0.699 nan 8.290 nan 0.000 0.579 544 E N 2.540 122.799 120.200 0.098 0.000 3.588 544 E HA 0.327 4.677 4.350 -0.000 0.000 0.213 544 E C -2.585 173.693 176.600 -0.538 0.000 1.168 544 E CA -1.613 54.700 56.400 -0.146 0.000 1.254 544 E CB 1.931 31.779 29.700 0.247 0.000 1.302 544 E HN 0.428 nan 8.360 nan 0.000 0.429 545 P HA -0.092 nan 4.420 nan 0.000 0.269 545 P C 0.358 177.200 177.300 -0.763 0.000 1.209 545 P CA 0.385 63.185 63.100 -0.499 0.000 0.776 545 P CB 1.027 32.556 31.700 -0.285 0.000 0.876 546 S N -0.116 115.055 115.700 -0.882 0.000 3.473 546 S HA -0.194 4.276 4.470 -0.000 0.000 0.339 546 S C 0.222 174.156 174.600 -1.110 0.000 1.148 546 S CA 0.868 57.936 58.200 -1.887 0.000 0.969 546 S CB -3.121 58.997 63.200 -1.803 0.000 0.936 546 S HN 0.782 nan 8.310 nan 0.000 0.530 547 S N 0.127 115.403 115.700 -0.707 0.000 2.523 547 S HA 0.757 5.227 4.470 -0.000 0.000 0.275 547 S C -0.051 174.293 174.600 -0.428 0.000 1.281 547 S CA -0.230 57.597 58.200 -0.622 0.000 1.050 547 S CB 1.623 64.378 63.200 -0.741 0.000 0.937 547 S HN 1.855 nan 8.310 nan 0.000 0.492 548 A N 3.928 126.514 122.820 -0.391 0.000 2.411 548 A HA 0.712 5.032 4.320 -0.000 0.000 0.285 548 A C -2.902 174.710 177.584 0.046 0.000 1.129 548 A CA -1.818 50.155 52.037 -0.107 0.000 0.736 548 A CB 0.989 19.987 19.000 -0.003 0.000 1.186 548 A HN 0.664 nan 8.150 nan 0.000 0.445 549 P HA 0.276 nan 4.420 nan 0.000 0.275 549 P C 0.261 177.731 177.300 0.284 0.000 1.227 549 P CA 0.034 63.375 63.100 0.403 0.000 0.781 549 P CB 0.750 32.670 31.700 0.366 0.000 0.906 550 R N -0.461 120.205 120.500 0.276 0.000 3.953 550 R HA -0.265 4.074 4.340 -0.000 0.000 0.448 550 R C 1.236 177.647 176.300 0.186 0.000 1.016 550 R CA 1.129 57.340 56.100 0.185 0.000 1.398 550 R CB -2.436 27.949 30.300 0.143 0.000 2.021 550 R HN 0.420 nan 8.270 nan 0.000 0.538 551 F N 1.788 121.788 119.950 0.082 0.000 2.113 551 F HA -0.027 4.500 4.527 -0.000 0.000 0.297 551 F C 0.871 176.701 175.800 0.050 0.000 1.103 551 F CA 1.583 59.614 58.000 0.052 0.000 1.248 551 F CB 0.278 39.302 39.000 0.040 0.000 0.999 551 F HN 0.034 nan 8.300 nan 0.000 0.475 552 Q N -0.271 119.514 119.800 -0.025 0.000 2.330 552 Q HA 0.200 4.540 4.340 -0.000 0.000 0.269 552 Q C 0.858 176.864 176.000 0.010 0.000 1.022 552 Q CA -0.149 55.587 55.803 -0.112 0.000 0.796 552 Q CB 1.899 30.601 28.738 -0.059 0.000 1.271 552 Q HN 0.019 nan 8.270 nan 0.000 0.450 553 T N 1.176 115.716 114.554 -0.023 0.000 2.699 553 T HA -0.177 4.173 4.350 -0.000 0.000 0.268 553 T C 1.357 176.069 174.700 0.019 0.000 1.036 553 T CA 1.855 63.958 62.100 0.005 0.000 1.147 553 T CB -0.067 68.791 68.868 -0.016 0.000 0.862 553 T HN 0.844 nan 8.240 nan 0.000 0.446 554 G N 0.131 108.938 108.800 0.012 0.000 3.284 554 G HA2 0.315 4.275 3.960 -0.000 0.000 0.236 554 G HA3 0.315 4.275 3.960 -0.000 0.000 0.236 554 G C 0.324 175.253 174.900 0.049 0.000 1.158 554 G CA -0.404 44.709 45.100 0.023 0.000 0.774 554 G HN 0.192 nan 8.290 nan 0.000 0.545 555 R N -0.394 120.151 120.500 0.075 0.000 2.631 555 R HA 0.396 4.736 4.340 -0.000 0.000 0.289 555 R C -0.681 175.730 176.300 0.185 0.000 1.303 555 R CA -1.181 54.974 56.100 0.091 0.000 0.989 555 R CB -0.148 30.194 30.300 0.069 0.000 1.208 555 R HN -0.040 nan 8.270 nan 0.000 0.461 556 F N 3.679 123.620 119.950 -0.016 0.000 2.148 556 F HA 0.357 4.884 4.527 -0.000 0.000 0.285 556 F C 0.104 176.021 175.800 0.194 0.000 1.092 556 F CA 0.540 58.574 58.000 0.056 0.000 1.218 556 F CB 0.189 39.170 39.000 -0.032 0.000 1.059 556 F HN 0.343 nan 8.300 nan 0.000 0.490 557 F N 2.829 122.725 119.950 -0.090 0.000 2.502 557 F HA 0.151 4.677 4.527 -0.000 0.000 0.371 557 F C 1.539 177.203 175.800 -0.226 0.000 1.083 557 F CA -0.808 57.037 58.000 -0.258 0.000 1.174 557 F CB -0.030 38.857 39.000 -0.189 0.000 1.096 557 F HN 0.161 nan 8.300 nan 0.000 0.545 558 Q N 2.754 122.474 119.800 -0.133 0.000 2.297 558 Q HA -0.008 4.332 4.340 -0.000 0.000 0.204 558 Q C 1.438 177.361 176.000 -0.128 0.000 0.962 558 Q CA 0.974 56.728 55.803 -0.083 0.000 0.879 558 Q CB 0.131 28.837 28.738 -0.053 0.000 0.947 558 Q HN 0.654 nan 8.270 nan 0.000 0.462 559 L N 0.346 121.407 121.223 -0.270 0.000 2.848 559 L HA 0.270 4.610 4.340 -0.000 0.000 0.240 559 L C 1.612 178.384 176.870 -0.162 0.000 1.232 559 L CA -0.252 54.413 54.840 -0.290 0.000 1.031 559 L CB -0.162 41.555 42.059 -0.570 0.000 1.338 559 L HN -0.003 nan 8.230 nan 0.000 0.509 560 A N 1.037 123.828 122.820 -0.048 0.000 1.948 560 A HA -0.266 4.053 4.320 -0.000 0.000 0.220 560 A C 2.059 179.605 177.584 -0.063 0.000 1.177 560 A CA 2.212 54.234 52.037 -0.024 0.000 0.636 560 A CB -0.322 18.637 19.000 -0.069 0.000 0.815 560 A HN 0.654 nan 8.150 nan 0.000 0.449 561 D N -0.106 120.264 120.400 -0.049 0.000 2.178 561 D HA -0.101 4.539 4.640 -0.000 0.000 0.202 561 D C 1.772 178.048 176.300 -0.040 0.000 0.974 561 D CA 1.540 55.553 54.000 0.022 0.000 0.841 561 D CB -0.778 40.099 40.800 0.129 0.000 0.953 561 D HN 0.281 nan 8.370 nan 0.000 0.478 562 V N 1.887 121.602 119.914 -0.331 0.000 2.323 562 V HA -0.141 3.979 4.120 -0.000 0.000 0.244 562 V C 2.538 178.522 176.094 -0.183 0.000 1.041 562 V CA 1.641 63.554 62.300 -0.645 0.000 1.025 562 V CB -0.490 30.893 31.823 -0.733 0.000 0.656 562 V HN 0.396 nan 8.190 nan 0.000 0.451 563 I N -1.994 118.549 120.570 -0.044 0.000 3.860 563 I HA 0.449 4.619 4.170 -0.000 0.000 0.319 563 I C 1.422 177.562 176.117 0.038 0.000 1.279 563 I CA 0.929 62.274 61.300 0.075 0.000 1.220 563 I CB 0.047 38.163 38.000 0.194 0.000 1.027 563 I HN 0.419 nan 8.210 nan 0.000 0.428 564 G N 1.878 110.667 108.800 -0.018 0.000 2.148 564 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.254 564 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.254 564 G C -0.010 174.782 174.900 -0.180 0.000 0.981 564 G CA 0.258 45.321 45.100 -0.063 0.000 0.670 564 G HN 0.382 nan 8.290 nan 0.000 0.528 565 V N 0.045 119.823 119.914 -0.227 0.000 2.760 565 V HA 0.736 4.856 4.120 -0.000 0.000 0.309 565 V C -0.623 175.151 176.094 -0.533 0.000 1.077 565 V CA -0.755 61.270 62.300 -0.457 0.000 0.910 565 V CB 2.108 33.581 31.823 -0.584 0.000 1.008 565 V HN 0.264 nan 8.190 nan 0.000 0.424 566 D N 1.715 121.548 120.400 -0.944 0.000 2.493 566 D HA 0.417 5.057 4.640 -0.000 0.000 0.239 566 D C -0.883 174.714 176.300 -1.171 0.000 1.049 566 D CA -0.550 52.770 54.000 -1.134 0.000 1.008 566 D CB 2.568 42.887 40.800 -0.801 0.000 1.398 566 D HN 0.658 nan 8.370 nan 0.000 0.513 567 E N 1.041 120.569 120.200 -1.120 0.000 2.134 567 E HA 0.204 4.554 4.350 -0.000 0.000 0.278 567 E C -0.909 175.554 176.600 -0.228 0.000 0.959 567 E CA -0.632 55.457 56.400 -0.517 0.000 0.783 567 E CB 0.996 30.490 29.700 -0.344 0.000 1.095 567 E HN 0.263 nan 8.360 nan 0.000 0.399 568 E N 3.741 123.899 120.200 -0.069 0.000 2.366 568 E HA -0.038 4.312 4.350 -0.000 0.000 0.266 568 E C -0.222 176.122 176.600 -0.428 0.000 1.015 568 E CA 0.272 56.545 56.400 -0.212 0.000 0.906 568 E CB 0.526 30.030 29.700 -0.328 0.000 0.979 568 E HN 0.379 nan 8.360 nan 0.000 0.443 569 R N 4.161 124.429 120.500 -0.387 0.000 2.613 569 R HA 0.096 4.436 4.340 -0.000 0.000 0.361 569 R C -0.382 175.858 176.300 -0.101 0.000 1.072 569 R CA -0.383 55.514 56.100 -0.338 0.000 1.089 569 R CB -0.493 29.570 30.300 -0.395 0.000 1.343 569 R HN 0.813 nan 8.270 nan 0.000 0.571 570 Y N -0.730 119.499 120.300 -0.118 0.000 4.841 570 Y HA -0.280 4.270 4.550 -0.000 0.000 0.242 570 Y C 1.389 177.244 175.900 -0.076 0.000 1.002 570 Y CA 0.728 58.775 58.100 -0.089 0.000 2.011 570 Y CB -1.549 36.866 38.460 -0.074 0.000 1.554 570 Y HN 0.100 nan 8.280 nan 0.000 0.618 571 Q N -0.412 119.385 119.800 -0.005 0.000 2.376 571 Q HA 0.140 4.480 4.340 -0.000 0.000 0.206 571 Q C 1.626 177.602 176.000 -0.039 0.000 0.921 571 Q CA 1.489 57.287 55.803 -0.009 0.000 0.911 571 Q CB 0.130 28.862 28.738 -0.010 0.000 1.032 571 Q HN 0.673 nan 8.270 nan 0.000 0.510 572 T N -2.628 111.875 114.554 -0.086 0.000 3.293 572 T HA 0.374 4.723 4.350 -0.000 0.000 0.276 572 T C 1.342 175.955 174.700 -0.146 0.000 1.003 572 T CA -0.215 61.819 62.100 -0.109 0.000 0.916 572 T CB -0.334 68.457 68.868 -0.127 0.000 1.134 572 T HN 0.002 nan 8.240 nan 0.000 0.530 573 L N 0.410 121.568 121.223 -0.109 0.000 2.265 573 L HA -0.005 4.335 4.340 -0.000 0.000 0.215 573 L C 2.600 179.410 176.870 -0.099 0.000 1.117 573 L CA 0.714 55.487 54.840 -0.111 0.000 0.782 573 L CB -0.528 41.504 42.059 -0.046 0.000 0.914 573 L HN 0.354 nan 8.230 nan 0.000 0.441 574 S N -0.825 114.829 115.700 -0.076 0.000 2.481 574 S HA 0.002 4.472 4.470 -0.000 0.000 0.231 574 S C 0.811 175.367 174.600 -0.073 0.000 0.996 574 S CA 0.197 58.360 58.200 -0.061 0.000 0.942 574 S CB 0.061 63.237 63.200 -0.039 0.000 0.768 574 S HN 0.070 nan 8.310 nan 0.000 0.520 575 V N 3.342 123.194 119.914 -0.105 0.000 2.368 575 V HA 0.198 4.318 4.120 -0.000 0.000 0.266 575 V C -0.459 175.533 176.094 -0.171 0.000 1.045 575 V CA -0.934 61.302 62.300 -0.107 0.000 0.899 575 V CB 0.771 32.531 31.823 -0.105 0.000 1.006 575 V HN 0.217 nan 8.190 nan 0.000 0.470 576 D N 4.745 125.055 120.400 -0.150 0.000 2.458 576 D HA 0.141 4.781 4.640 -0.000 0.000 0.243 576 D C 0.103 176.152 176.300 -0.418 0.000 1.146 576 D CA 0.278 54.092 54.000 -0.310 0.000 0.877 576 D CB 0.542 41.153 40.800 -0.315 0.000 1.176 576 D HN 0.319 nan 8.370 nan 0.000 0.461 577 K N 2.682 122.807 120.400 -0.458 0.000 2.211 577 K HA 0.282 4.601 4.320 -0.000 0.000 0.275 577 K C -0.960 175.465 176.600 -0.291 0.000 1.024 577 K CA -0.549 55.562 56.287 -0.292 0.000 0.887 577 K CB 0.725 33.116 32.500 -0.181 0.000 1.084 577 K HN 0.405 nan 8.250 nan 0.000 0.463 578 Y N 2.058 122.443 120.300 0.141 0.000 2.331 578 Y HA 0.329 4.878 4.550 -0.000 0.000 0.338 578 Y C -0.037 175.994 175.900 0.217 0.000 0.976 578 Y CA -0.755 57.458 58.100 0.187 0.000 1.137 578 Y CB 0.849 39.354 38.460 0.076 0.000 1.172 578 Y HN 0.389 nan 8.280 nan 0.000 0.478 579 F N 5.967 125.977 119.950 0.100 0.000 2.411 579 F HA 0.378 4.905 4.527 0.000 0.000 0.350 579 F C -1.794 173.996 175.800 -0.017 0.000 1.114 579 F CA -2.366 55.661 58.000 0.044 0.000 1.135 579 F CB 0.958 39.979 39.000 0.036 0.000 1.120 579 F HN 0.329 nan 8.300 nan 0.000 0.495 580 P HA 0.169 nan 4.420 nan 0.000 0.274 580 P C -2.707 174.547 177.300 -0.076 0.000 1.246 580 P CA -1.635 61.465 63.100 0.001 0.000 0.795 580 P CB 0.050 31.753 31.700 0.006 0.000 1.006 581 P HA 0.035 nan 4.420 nan 0.000 0.268 581 P C -0.254 177.088 177.300 0.071 0.000 1.204 581 P CA 0.136 63.059 63.100 -0.296 0.000 0.768 581 P CB 0.209 31.782 31.700 -0.211 0.000 0.842 582 V N 4.436 124.536 119.914 0.309 0.000 2.655 582 V HA -0.012 4.108 4.120 -0.000 0.000 0.300 582 V C 0.527 176.813 176.094 0.321 0.000 1.044 582 V CA 0.135 62.644 62.300 0.348 0.000 1.095 582 V CB 0.982 33.099 31.823 0.490 0.000 0.952 582 V HN 0.224 nan 8.190 nan 0.000 0.485 583 V N 8.395 128.412 119.914 0.171 0.000 2.320 583 V HA 0.217 4.337 4.120 -0.000 0.000 0.265 583 V C -1.084 175.067 176.094 0.095 0.000 1.048 583 V CA -0.838 61.551 62.300 0.149 0.000 0.865 583 V CB 1.171 33.063 31.823 0.115 0.000 1.043 583 V HN 0.871 nan 8.190 nan 0.000 0.474 584 P HA 0.052 nan 4.420 nan 0.000 0.227 584 P C 0.027 177.339 177.300 0.019 0.000 1.161 584 P CA 0.603 63.692 63.100 -0.019 0.000 0.788 584 P CB 0.522 32.188 31.700 -0.058 0.000 0.822 585 D N 0.572 121.017 120.400 0.075 0.000 2.460 585 D HA 0.224 4.863 4.640 -0.000 0.000 0.232 585 D C -0.273 176.091 176.300 0.106 0.000 1.079 585 D CA 0.119 54.156 54.000 0.062 0.000 0.864 585 D CB 0.941 41.773 40.800 0.053 0.000 1.048 585 D HN 0.214 nan 8.370 nan 0.000 0.523 586 H N 1.451 120.498 119.070 -0.039 0.000 2.996 586 H HA 0.032 4.588 4.556 -0.000 0.000 0.368 586 H C 0.107 175.396 175.328 -0.065 0.000 1.185 586 H CA -0.657 55.363 56.048 -0.047 0.000 1.160 586 H CB 1.703 31.411 29.762 -0.090 0.000 1.820 586 H HN 0.196 nan 8.280 nan 0.000 0.547 587 F N 3.702 123.326 119.950 -0.543 0.000 2.087 587 F HA -0.248 4.279 4.527 -0.000 0.000 0.299 587 F C 1.869 177.558 175.800 -0.184 0.000 1.100 587 F CA 2.161 59.952 58.000 -0.348 0.000 1.226 587 F CB -0.225 38.547 39.000 -0.381 0.000 0.983 587 F HN 0.585 nan 8.300 nan 0.000 0.479 588 I N -0.148 120.490 120.570 0.113 0.000 2.226 588 I HA -0.293 3.877 4.170 -0.000 0.000 0.245 588 I C 2.048 178.083 176.117 -0.136 0.000 1.100 588 I CA 1.926 63.218 61.300 -0.014 0.000 1.374 588 I CB -0.628 37.400 38.000 0.045 0.000 1.057 588 I HN 0.333 nan 8.210 nan 0.000 0.413 589 T N -1.932 112.575 114.554 -0.078 0.000 3.086 589 T HA 0.335 4.685 4.350 -0.000 0.000 0.250 589 T C 1.703 176.319 174.700 -0.139 0.000 1.074 589 T CA 0.351 62.389 62.100 -0.102 0.000 0.988 589 T CB 0.246 69.077 68.868 -0.061 0.000 0.988 589 T HN 0.248 nan 8.240 nan 0.000 0.530 590 A N 2.381 125.079 122.820 -0.204 0.000 2.032 590 A HA -0.132 4.188 4.320 -0.000 0.000 0.221 590 A C 1.969 179.452 177.584 -0.168 0.000 1.165 590 A CA 1.568 53.487 52.037 -0.197 0.000 0.645 590 A CB -0.492 18.339 19.000 -0.282 0.000 0.807 590 A HN 0.459 nan 8.150 nan 0.000 0.453 591 D N -0.756 119.533 120.400 -0.186 0.000 2.339 591 D HA 0.154 4.794 4.640 -0.000 0.000 0.217 591 D C -0.053 176.177 176.300 -0.116 0.000 1.050 591 D CA 0.121 54.039 54.000 -0.136 0.000 0.856 591 D CB 0.263 40.985 40.800 -0.130 0.000 0.922 591 D HN 0.152 nan 8.370 nan 0.000 0.518 592 V N 4.398 124.239 119.914 -0.122 0.000 2.439 592 V HA 0.116 4.236 4.120 -0.000 0.000 0.271 592 V C -1.818 174.218 176.094 -0.097 0.000 1.040 592 V CA -1.133 61.097 62.300 -0.117 0.000 1.002 592 V CB 0.592 32.340 31.823 -0.125 0.000 1.000 592 V HN 0.018 nan 8.190 nan 0.000 0.477 593 P HA 0.286 nan 4.420 nan 0.000 0.276 593 P C -0.840 176.416 177.300 -0.073 0.000 1.235 593 P CA -0.083 62.975 63.100 -0.070 0.000 0.772 593 P CB 1.261 32.925 31.700 -0.061 0.000 0.871 594 V N 3.526 123.402 119.914 -0.064 0.000 2.448 594 V HA 0.151 4.271 4.120 -0.000 0.000 0.295 594 V C 0.094 176.165 176.094 -0.039 0.000 1.025 594 V CA -0.763 61.499 62.300 -0.063 0.000 0.859 594 V CB 1.536 33.310 31.823 -0.081 0.000 0.988 594 V HN 0.491 nan 8.190 nan 0.000 0.431 595 D N 6.689 127.070 120.400 -0.032 0.000 2.487 595 D HA 0.077 4.717 4.640 -0.000 0.000 0.243 595 D C -1.501 174.798 176.300 -0.003 0.000 1.154 595 D CA -1.103 52.888 54.000 -0.016 0.000 0.876 595 D CB 1.407 42.200 40.800 -0.011 0.000 1.161 595 D HN 0.276 nan 8.370 nan 0.000 0.478 596 P HA -0.195 nan 4.420 nan 0.000 0.216 596 P C 1.129 178.447 177.300 0.030 0.000 1.150 596 P CA 1.576 64.687 63.100 0.018 0.000 0.843 596 P CB 0.237 31.945 31.700 0.014 0.000 0.787 597 A N -0.521 122.313 122.820 0.022 0.000 2.015 597 A HA -0.022 4.298 4.320 -0.000 0.000 0.219 597 A C 2.260 179.868 177.584 0.039 0.000 1.163 597 A CA 1.749 53.802 52.037 0.027 0.000 0.646 597 A CB -1.392 17.618 19.000 0.017 0.000 0.806 597 A HN 0.200 nan 8.150 nan 0.000 0.448 598 A N -0.042 122.798 122.820 0.034 0.000 1.873 598 A HA -0.135 4.185 4.320 -0.000 0.000 0.215 598 A C 2.241 179.881 177.584 0.092 0.000 1.186 598 A CA 1.632 53.696 52.037 0.045 0.000 0.616 598 A CB -0.500 18.506 19.000 0.010 0.000 0.823 598 A HN 0.525 nan 8.150 nan 0.000 0.442 599 R N -0.315 120.233 120.500 0.081 0.000 2.081 599 R HA -0.172 4.168 4.340 -0.000 0.000 0.235 599 R C 2.202 178.648 176.300 0.244 0.000 1.131 599 R CA 1.742 57.939 56.100 0.161 0.000 0.960 599 R CB -0.287 30.071 30.300 0.096 0.000 0.856 599 R HN 0.722 nan 8.270 nan 0.000 0.436 600 E N -0.226 120.054 120.200 0.134 0.000 2.058 600 E HA -0.227 4.122 4.350 -0.000 0.000 0.194 600 E C 1.803 178.450 176.600 0.077 0.000 0.997 600 E CA 1.350 57.805 56.400 0.092 0.000 0.801 600 E CB -0.131 29.599 29.700 0.052 0.000 0.746 600 E HN 0.485 nan 8.360 nan 0.000 0.450 601 A N 0.692 123.563 122.820 0.085 0.000 1.908 601 A HA -0.216 4.104 4.320 -0.000 0.000 0.218 601 A C 1.882 179.509 177.584 0.072 0.000 1.181 601 A CA 1.617 53.690 52.037 0.061 0.000 0.627 601 A CB -1.260 17.779 19.000 0.065 0.000 0.818 601 A HN 0.688 nan 8.150 nan 0.000 0.445 602 W N 0.877 122.143 121.300 -0.056 0.000 2.358 602 W HA -0.154 4.505 4.660 -0.001 0.000 0.303 602 W C 1.891 178.331 176.519 -0.130 0.000 1.208 602 W CA 1.907 59.201 57.345 -0.085 0.000 1.274 602 W CB -0.194 29.231 29.460 -0.058 0.000 1.138 602 W HN 0.470 nan 8.180 nan 0.000 0.515 603 E N -0.327 119.746 120.200 -0.211 0.000 2.077 603 E HA -0.272 4.078 4.350 -0.000 0.000 0.193 603 E C 2.289 178.672 176.600 -0.362 0.000 0.989 603 E CA 1.456 57.579 56.400 -0.461 0.000 0.800 603 E CB -0.310 29.320 29.700 -0.116 0.000 0.746 603 E HN 0.289 nan 8.360 nan 0.000 0.452 604 Q N 0.007 119.691 119.800 -0.193 0.000 2.046 604 Q HA -0.097 4.243 4.340 -0.000 0.000 0.200 604 Q C 2.241 178.130 176.000 -0.184 0.000 0.975 604 Q CA 1.409 57.124 55.803 -0.147 0.000 0.836 604 Q CB -0.361 28.332 28.738 -0.075 0.000 0.896 604 Q HN 0.253 nan 8.270 nan 0.000 0.428 605 A N 0.352 123.052 122.820 -0.200 0.000 1.972 605 A HA 0.137 4.457 4.320 -0.000 0.000 0.219 605 A C 1.306 178.722 177.584 -0.281 0.000 1.169 605 A CA 1.616 53.538 52.037 -0.192 0.000 0.635 605 A CB -0.802 18.112 19.000 -0.143 0.000 0.810 605 A HN 0.481 nan 8.150 nan 0.000 0.446 606 G N -2.041 106.464 108.800 -0.492 0.000 2.569 606 G HA2 -0.214 3.745 3.960 -0.000 0.000 0.259 606 G HA3 -0.214 3.745 3.960 -0.000 0.000 0.259 606 G C -0.303 174.192 174.900 -0.676 0.000 1.263 606 G CA 0.225 44.941 45.100 -0.641 0.000 0.928 606 G HN 0.676 nan 8.290 nan 0.000 0.572 607 Y N 0.568 120.777 120.300 -0.152 0.000 2.446 607 Y HA 0.672 5.222 4.550 0.001 0.000 0.338 607 Y C 1.341 177.202 175.900 -0.065 0.000 1.055 607 Y CA -0.869 57.175 58.100 -0.093 0.000 1.101 607 Y CB 1.158 39.585 38.460 -0.055 0.000 1.221 607 Y HN 0.624 nan 8.280 nan 0.000 0.460 608 R N 1.912 122.477 120.500 0.109 0.000 2.640 608 R HA 0.140 4.480 4.340 -0.000 0.000 0.270 608 R C -0.687 175.653 176.300 0.067 0.000 1.024 608 R CA -0.161 55.965 56.100 0.043 0.000 1.085 608 R CB 0.242 30.535 30.300 -0.011 0.000 0.963 608 R HN 0.433 nan 8.270 nan 0.000 0.426 609 I N 4.854 125.451 120.570 0.045 0.000 2.395 609 I HA 0.161 4.331 4.170 -0.000 0.000 0.289 609 I C -1.776 174.383 176.117 0.070 0.000 1.023 609 I CA -3.017 58.315 61.300 0.054 0.000 1.350 609 I CB 0.673 38.691 38.000 0.031 0.000 1.409 609 I HN 0.341 nan 8.210 nan 0.000 0.507 610 P HA 0.101 nan 4.420 nan 0.000 0.261 610 P C -0.596 176.761 177.300 0.096 0.000 1.173 610 P CA 0.263 63.471 63.100 0.181 0.000 0.760 610 P CB 0.527 32.369 31.700 0.236 0.000 0.783 611 L N 1.953 123.215 121.223 0.065 0.000 2.431 611 L HA 0.327 4.667 4.340 -0.000 0.000 0.266 611 L C 0.163 177.043 176.870 0.016 0.000 0.978 611 L CA -0.960 53.897 54.840 0.028 0.000 0.822 611 L CB 2.285 44.346 42.059 0.002 0.000 1.310 611 L HN 0.276 nan 8.230 nan 0.000 0.409 612 S N 2.027 117.737 115.700 0.016 0.000 2.563 612 S HA 0.229 4.699 4.470 -0.000 0.000 0.294 612 S C 1.172 175.762 174.600 -0.016 0.000 1.279 612 S CA 1.248 59.453 58.200 0.008 0.000 1.069 612 S CB 0.187 63.391 63.200 0.007 0.000 0.828 612 S HN 1.167 nan 8.310 nan 0.000 0.497 613 G N 3.060 111.843 108.800 -0.029 0.000 2.184 613 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.264 613 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.264 613 G C 0.655 175.508 174.900 -0.079 0.000 0.975 613 G CA 0.395 45.465 45.100 -0.051 0.000 0.642 613 G HN 0.904 nan 8.290 nan 0.000 0.536 614 C N 0.269 119.515 119.300 -0.089 0.000 3.491 614 C HA 0.646 5.106 4.460 -0.000 0.000 0.298 614 C C 2.078 176.962 174.990 -0.176 0.000 1.424 614 C CA 0.360 59.312 59.018 -0.111 0.000 1.772 614 C CB -0.580 27.116 27.740 -0.074 0.000 2.447 614 C HN 2.021 nan 8.230 nan 0.000 0.670 615 G N 1.161 109.800 108.800 -0.268 0.000 2.564 615 G HA2 0.282 4.242 3.960 -0.000 0.000 0.273 615 G HA3 0.282 4.242 3.960 -0.000 0.000 0.273 615 G C -0.043 174.694 174.900 -0.271 0.000 1.242 615 G CA 0.040 44.798 45.100 -0.569 0.000 0.951 615 G HN 1.507 nan 8.290 nan 0.000 0.564 616 G N -3.624 105.076 108.800 -0.166 0.000 2.368 616 G HA2 0.688 4.648 3.960 -0.000 0.000 0.293 616 G HA3 0.688 4.648 3.960 -0.000 0.000 0.293 616 G C 0.965 175.955 174.900 0.150 0.000 1.467 616 G CA 1.221 46.382 45.100 0.102 0.000 0.804 616 G HN 2.717 nan 8.290 nan 0.000 0.535 617 G N -1.152 107.709 108.800 0.102 0.000 2.175 617 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.244 617 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.244 617 G C 0.342 175.278 174.900 0.060 0.000 0.982 617 G CA 0.907 46.055 45.100 0.079 0.000 0.641 617 G HN 1.014 nan 8.290 nan 0.000 0.527 618 Q N 1.536 121.251 119.800 -0.141 0.000 2.313 618 Q HA 0.517 4.857 4.340 -0.000 0.000 0.266 618 Q C 0.854 176.910 176.000 0.094 0.000 0.989 618 Q CA 0.505 56.161 55.803 -0.246 0.000 0.890 618 Q CB 1.153 29.535 28.738 -0.593 0.000 1.200 618 Q HN 0.753 nan 8.270 nan 0.000 0.396 619 S N 1.947 117.787 115.700 0.234 0.000 2.549 619 S HA 0.091 4.561 4.470 -0.000 0.000 0.286 619 S C 0.735 175.348 174.600 0.021 0.000 1.314 619 S CA -0.384 57.893 58.200 0.127 0.000 1.062 619 S CB 0.333 63.714 63.200 0.302 0.000 0.865 619 S HN 0.644 nan 8.310 nan 0.000 0.498 620 I N 1.858 122.388 120.570 -0.068 0.000 2.353 620 I HA 0.022 4.191 4.170 -0.000 0.000 0.248 620 I C 1.325 177.439 176.117 -0.006 0.000 1.119 620 I CA 1.006 62.277 61.300 -0.047 0.000 1.417 620 I CB -0.035 37.918 38.000 -0.078 0.000 1.078 620 I HN 0.608 nan 8.210 nan 0.000 0.421 621 K N 1.016 121.427 120.400 0.018 0.000 2.221 621 K HA 0.399 4.719 4.320 -0.000 0.000 0.243 621 K C -2.462 174.269 176.600 0.218 0.000 0.968 621 K CA -1.882 54.458 56.287 0.090 0.000 0.846 621 K CB 1.583 34.128 32.500 0.075 0.000 1.141 621 K HN -0.225 nan 8.250 nan 0.000 0.434 622 P HA 0.053 nan 4.420 nan 0.000 0.278 622 P C 0.096 177.441 177.300 0.075 0.000 1.238 622 P CA -0.415 62.769 63.100 0.140 0.000 0.794 622 P CB 0.922 32.668 31.700 0.076 0.000 0.955 623 L N 2.732 123.852 121.223 -0.172 0.000 2.095 623 L HA 0.200 4.539 4.340 -0.000 0.000 0.204 623 L C 1.267 178.014 176.870 -0.206 0.000 1.080 623 L CA 2.441 56.999 54.840 -0.469 0.000 0.759 623 L CB -1.345 40.116 42.059 -0.996 0.000 0.914 623 L HN 0.819 nan 8.230 nan 0.000 0.439 624 G N -1.287 107.452 108.800 -0.103 0.000 2.598 624 G HA2 0.107 4.067 3.960 -0.000 0.000 0.244 624 G HA3 0.107 4.067 3.960 -0.000 0.000 0.244 624 G C 0.918 175.774 174.900 -0.074 0.000 1.302 624 G CA 0.009 45.084 45.100 -0.041 0.000 0.903 624 G HN 1.434 nan 8.290 nan 0.000 0.575 625 G N -2.078 106.675 108.800 -0.079 0.000 2.241 625 G HA2 -0.106 3.853 3.960 -0.000 0.000 0.244 625 G HA3 -0.106 3.853 3.960 -0.000 0.000 0.244 625 G C 0.360 175.164 174.900 -0.160 0.000 0.998 625 G CA 0.951 45.986 45.100 -0.108 0.000 0.621 625 G HN 1.695 nan 8.290 nan 0.000 0.519 626 I N 1.041 121.490 120.570 -0.203 0.000 2.498 626 I HA 0.383 4.553 4.170 -0.000 0.000 0.290 626 I C -1.174 174.647 176.117 -0.494 0.000 1.032 626 I CA -0.928 60.111 61.300 -0.435 0.000 1.073 626 I CB 2.055 39.621 38.000 -0.723 0.000 1.251 626 I HN 0.025 nan 8.210 nan 0.000 0.426 627 D N 5.191 125.319 120.400 -0.453 0.000 2.380 627 D HA 0.251 4.891 4.640 -0.000 0.000 0.230 627 D C -0.047 176.019 176.300 -0.390 0.000 1.154 627 D CA 0.048 53.870 54.000 -0.297 0.000 0.859 627 D CB 0.537 41.243 40.800 -0.156 0.000 1.045 627 D HN 0.270 nan 8.370 nan 0.000 0.495 628 F N 2.314 122.225 119.950 -0.065 0.000 2.695 628 F HA 0.319 4.846 4.527 -0.000 0.000 0.303 628 F C 1.885 177.588 175.800 -0.161 0.000 1.091 628 F CA 0.422 58.358 58.000 -0.107 0.000 1.300 628 F CB 0.108 39.061 39.000 -0.079 0.000 1.071 628 F HN 0.620 nan 8.300 nan 0.000 0.578 629 G N 0.290 109.092 108.800 0.003 0.000 2.528 629 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.262 629 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.262 629 G C -0.207 174.667 174.900 -0.042 0.000 1.200 629 G CA -0.653 44.370 45.100 -0.129 0.000 0.951 629 G HN 0.089 nan 8.290 nan 0.000 0.566 630 E N 2.630 122.743 120.200 -0.146 0.000 2.415 630 E HA 0.287 4.637 4.350 -0.000 0.000 0.263 630 E C -1.673 174.935 176.600 0.014 0.000 0.995 630 E CA -0.655 55.733 56.400 -0.020 0.000 0.915 630 E CB 0.758 30.440 29.700 -0.030 0.000 0.951 630 E HN 0.411 nan 8.360 nan 0.000 0.449 631 P HA 0.114 nan 4.420 nan 0.000 0.278 631 P C -0.473 176.897 177.300 0.116 0.000 1.238 631 P CA -0.368 62.782 63.100 0.083 0.000 0.794 631 P CB 0.782 32.534 31.700 0.086 0.000 0.955 632 V N 4.333 124.335 119.914 0.147 0.000 2.318 632 V HA 0.182 4.302 4.120 -0.000 0.000 0.271 632 V C 0.700 176.892 176.094 0.162 0.000 1.030 632 V CA -0.592 61.834 62.300 0.209 0.000 0.844 632 V CB 0.465 32.489 31.823 0.334 0.000 1.015 632 V HN 0.402 nan 8.190 nan 0.000 0.460 633 L N 5.591 126.892 121.223 0.131 0.000 2.416 633 L HA 0.332 4.672 4.340 -0.000 0.000 0.272 633 L C 1.017 177.911 176.870 0.040 0.000 1.161 633 L CA -0.070 54.823 54.840 0.089 0.000 0.845 633 L CB 0.129 42.245 42.059 0.096 0.000 1.119 633 L HN 0.760 nan 8.230 nan 0.000 0.464 634 N N -0.187 118.534 118.700 0.035 0.000 2.776 634 N HA -0.149 4.591 4.740 -0.000 0.000 0.250 634 N C 0.151 175.689 175.510 0.047 0.000 1.112 634 N CA 1.077 54.130 53.050 0.006 0.000 0.733 634 N CB -1.647 36.755 38.487 -0.143 0.000 1.097 634 N HN 0.889 nan 8.380 nan 0.000 0.558 635 T N -0.641 113.933 114.554 0.033 0.000 2.937 635 T HA 0.337 4.687 4.350 -0.000 0.000 0.316 635 T C 0.150 174.855 174.700 0.009 0.000 1.079 635 T CA -0.066 61.983 62.100 -0.085 0.000 1.131 635 T CB 0.734 69.525 68.868 -0.128 0.000 1.000 635 T HN 0.369 nan 8.240 nan 0.000 0.549 636 Y N -0.480 119.627 120.300 -0.322 0.000 2.609 636 Y HA 0.694 5.244 4.550 -0.000 0.000 0.336 636 Y C -3.267 172.319 175.900 -0.523 0.000 1.129 636 Y CA -3.281 54.528 58.100 -0.485 0.000 1.040 636 Y CB 0.796 39.035 38.460 -0.369 0.000 1.310 636 Y HN 0.466 nan 8.280 nan 0.000 0.460 637 P HA 0.056 nan 4.420 nan 0.000 0.276 637 P C 0.877 177.988 177.300 -0.315 0.000 1.230 637 P CA -0.208 62.626 63.100 -0.444 0.000 0.776 637 P CB 2.057 33.535 31.700 -0.369 0.000 0.888 638 V N 0.482 120.217 119.914 -0.297 0.000 2.626 638 V HA -0.086 4.033 4.120 -0.000 0.000 0.252 638 V C 0.453 176.527 176.094 -0.034 0.000 1.067 638 V CA 1.559 63.756 62.300 -0.171 0.000 1.081 638 V CB -1.612 30.111 31.823 -0.166 0.000 0.686 638 V HN 0.735 nan 8.190 nan 0.000 0.468 639 N N -1.783 116.892 118.700 -0.041 0.000 3.020 639 N HA 0.265 5.005 4.740 -0.000 0.000 0.248 639 N C -0.279 175.227 175.510 -0.008 0.000 1.480 639 N CA -0.472 52.579 53.050 0.002 0.000 0.874 639 N CB 0.872 39.365 38.487 0.011 0.000 1.433 639 N HN 0.016 nan 8.380 nan 0.000 0.530 640 E N -1.047 119.161 120.200 0.013 0.000 2.502 640 E HA 0.131 4.481 4.350 -0.000 0.000 0.194 640 E C -0.091 176.514 176.600 0.008 0.000 1.062 640 E CA 0.303 56.710 56.400 0.011 0.000 0.867 640 E CB -0.392 29.320 29.700 0.020 0.000 0.888 640 E HN 0.520 nan 8.360 nan 0.000 0.510 641 N N -0.461 118.246 118.700 0.011 0.000 2.299 641 N HA 0.018 4.758 4.740 -0.000 0.000 0.187 641 N C -0.341 175.185 175.510 0.028 0.000 1.099 641 N CA -0.220 52.843 53.050 0.022 0.000 0.867 641 N CB 0.865 39.367 38.487 0.026 0.000 0.974 641 N HN -0.120 nan 8.380 nan 0.000 0.477 642 V N 1.667 121.586 119.914 0.009 0.000 2.655 642 V HA 0.007 4.127 4.120 -0.000 0.000 0.300 642 V C 0.544 176.643 176.094 0.008 0.000 1.044 642 V CA 0.181 62.483 62.300 0.004 0.000 1.095 642 V CB 1.083 32.881 31.823 -0.042 0.000 0.952 642 V HN 0.154 nan 8.190 nan 0.000 0.485 643 T N 7.218 121.785 114.554 0.020 0.000 2.729 643 T HA 0.426 4.776 4.350 -0.000 0.000 0.296 643 T C -0.054 174.630 174.700 -0.027 0.000 0.928 643 T CA -0.198 61.905 62.100 0.005 0.000 1.045 643 T CB 0.048 68.918 68.868 0.004 0.000 0.902 643 T HN 0.354 nan 8.240 nan 0.000 0.500 644 L N 4.778 125.999 121.223 -0.003 0.000 2.290 644 L HA 0.356 4.695 4.340 -0.000 0.000 0.284 644 L C 1.060 177.927 176.870 -0.004 0.000 1.078 644 L CA -0.377 54.470 54.840 0.012 0.000 0.815 644 L CB 0.816 42.921 42.059 0.078 0.000 1.162 644 L HN 0.624 nan 8.230 nan 0.000 0.435 645 L N 2.442 123.640 121.223 -0.042 0.000 2.500 645 L HA 0.272 4.612 4.340 -0.000 0.000 0.219 645 L C 0.393 177.254 176.870 -0.015 0.000 1.057 645 L CA 0.207 55.004 54.840 -0.071 0.000 0.854 645 L CB 0.138 42.106 42.059 -0.151 0.000 1.078 645 L HN 0.537 nan 8.230 nan 0.000 0.480 646 R N 0.463 120.968 120.500 0.008 0.000 2.533 646 R HA 0.616 4.956 4.340 -0.000 0.000 0.288 646 R C -1.144 175.169 176.300 0.022 0.000 1.039 646 R CA -0.231 55.882 56.100 0.021 0.000 0.909 646 R CB 1.883 32.231 30.300 0.080 0.000 1.195 646 R HN -0.064 nan 8.270 nan 0.000 0.438 647 A N 2.733 125.616 122.820 0.105 0.000 3.453 647 A HA 0.308 4.628 4.320 -0.000 0.000 0.262 647 A C -0.887 176.804 177.584 0.178 0.000 1.026 647 A CA -0.657 51.488 52.037 0.180 0.000 0.938 647 A CB 0.237 19.431 19.000 0.325 0.000 1.246 647 A HN 0.417 nan 8.150 nan 0.000 0.546 648 D N -0.012 120.455 120.400 0.111 0.000 2.253 648 D HA 0.509 5.148 4.640 -0.000 0.000 0.249 648 D C 1.244 177.591 176.300 0.078 0.000 1.049 648 D CA 1.198 55.260 54.000 0.103 0.000 0.929 648 D CB 1.429 42.282 40.800 0.088 0.000 1.176 648 D HN 0.913 nan 8.370 nan 0.000 0.437 649 G N 0.728 109.565 108.800 0.061 0.000 2.221 649 G HA2 -0.093 3.867 3.960 -0.000 0.000 0.265 649 G HA3 -0.093 3.867 3.960 -0.000 0.000 0.265 649 G C 0.971 175.878 174.900 0.011 0.000 1.041 649 G CA 0.627 45.749 45.100 0.037 0.000 0.807 649 G HN 1.244 nan 8.290 nan 0.000 0.502 650 G N -1.628 107.151 108.800 -0.035 0.000 2.160 650 G HA2 0.057 4.016 3.960 -0.000 0.000 0.251 650 G HA3 0.057 4.016 3.960 -0.000 0.000 0.251 650 G C 0.245 175.146 174.900 0.002 0.000 1.008 650 G CA 1.593 46.613 45.100 -0.133 0.000 0.724 650 G HN 2.149 nan 8.290 nan 0.000 0.514 651 Q N -2.230 117.659 119.800 0.148 0.000 2.737 651 Q HA 0.727 5.067 4.340 -0.000 0.000 0.307 651 Q C -1.364 174.794 176.000 0.263 0.000 0.905 651 Q CA -1.078 54.890 55.803 0.276 0.000 0.753 651 Q CB 1.756 30.583 28.738 0.147 0.000 1.463 651 Q HN 0.469 nan 8.270 nan 0.000 0.455 652 V N 1.371 121.385 119.914 0.168 0.000 2.459 652 V HA 0.189 4.309 4.120 -0.000 0.000 0.295 652 V C -0.364 175.765 176.094 0.058 0.000 1.029 652 V CA -0.294 62.063 62.300 0.094 0.000 0.874 652 V CB 1.377 33.189 31.823 -0.018 0.000 0.985 652 V HN 0.804 nan 8.190 nan 0.000 0.438 653 Q N 3.007 122.728 119.800 -0.131 0.000 2.431 653 Q HA 0.419 4.759 4.340 -0.000 0.000 0.244 653 Q C -0.351 175.343 176.000 -0.511 0.000 0.880 653 Q CA 0.262 55.745 55.803 -0.532 0.000 0.954 653 Q CB 0.852 28.797 28.738 -1.323 0.000 1.105 653 Q HN 0.557 nan 8.270 nan 0.000 0.558 654 L N -0.091 120.992 121.223 -0.234 0.000 2.505 654 L HA 0.826 5.166 4.340 -0.000 0.000 0.266 654 L C -1.974 174.903 176.870 0.011 0.000 0.954 654 L CA -0.553 54.241 54.840 -0.076 0.000 0.852 654 L CB 1.882 43.942 42.059 0.003 0.000 1.282 654 L HN -0.004 nan 8.230 nan 0.000 0.403 655 A N 2.282 125.139 122.820 0.061 0.000 2.609 655 A HA 0.876 5.196 4.320 -0.000 0.000 0.291 655 A C -1.183 176.428 177.584 0.045 0.000 1.096 655 A CA -0.294 51.762 52.037 0.032 0.000 0.684 655 A CB 2.004 21.028 19.000 0.039 0.000 1.282 655 A HN 0.624 nan 8.150 nan 0.000 0.412 656 T N 0.197 114.765 114.554 0.023 0.000 2.933 656 T HA 0.631 4.980 4.350 -0.000 0.000 0.305 656 T C -1.620 173.142 174.700 0.103 0.000 1.092 656 T CA -0.449 61.704 62.100 0.088 0.000 1.008 656 T CB 1.133 70.076 68.868 0.125 0.000 1.102 656 T HN 0.859 nan 8.240 nan 0.000 0.469 657 N N 2.559 121.334 118.700 0.126 0.000 2.310 657 N HA 0.458 5.197 4.740 -0.000 0.000 0.292 657 N C -1.739 173.855 175.510 0.139 0.000 1.049 657 N CA -0.534 52.588 53.050 0.119 0.000 0.849 657 N CB 1.714 40.260 38.487 0.098 0.000 1.532 657 N HN 0.488 nan 8.380 nan 0.000 0.479 658 D N 1.367 121.850 120.400 0.137 0.000 2.304 658 D HA 0.163 4.803 4.640 -0.000 0.000 0.250 658 D C -0.990 175.430 176.300 0.199 0.000 1.107 658 D CA 0.653 54.736 54.000 0.139 0.000 0.885 658 D CB 0.484 41.350 40.800 0.111 0.000 1.192 658 D HN 0.404 nan 8.370 nan 0.000 0.436 659 Y N 1.791 122.109 120.300 0.031 0.000 2.475 659 Y HA 0.407 4.956 4.550 -0.000 0.000 0.343 659 Y C 0.822 176.723 175.900 0.002 0.000 1.068 659 Y CA 0.051 58.161 58.100 0.017 0.000 1.307 659 Y CB 0.583 39.056 38.460 0.021 0.000 1.097 659 Y HN 0.635 nan 8.280 nan 0.000 0.530 660 G N 4.282 113.004 108.800 -0.130 0.000 2.622 660 G HA2 -0.391 3.569 3.960 -0.000 0.000 0.307 660 G HA3 -0.391 3.569 3.960 -0.000 0.000 0.307 660 G C 1.029 175.909 174.900 -0.034 0.000 1.226 660 G CA 0.708 45.742 45.100 -0.110 0.000 0.997 660 G HN 0.578 nan 8.290 nan 0.000 0.551 661 K N 1.673 122.043 120.400 -0.050 0.000 2.366 661 K HA 0.170 4.490 4.320 -0.000 0.000 0.198 661 K C 1.592 178.194 176.600 0.002 0.000 1.044 661 K CA 0.771 57.014 56.287 -0.073 0.000 0.973 661 K CB -0.008 32.419 32.500 -0.121 0.000 0.767 661 K HN 0.648 nan 8.250 nan 0.000 0.475 662 G N 0.910 109.738 108.800 0.047 0.000 2.642 662 G HA2 0.529 4.489 3.960 -0.000 0.000 0.291 662 G HA3 0.529 4.489 3.960 -0.000 0.000 0.291 662 G C -0.826 174.140 174.900 0.111 0.000 1.345 662 G CA -0.627 44.512 45.100 0.064 0.000 1.043 662 G HN 0.034 nan 8.290 nan 0.000 0.528 663 R N -1.719 118.807 120.500 0.044 0.000 2.651 663 R HA 0.541 4.881 4.340 -0.000 0.000 0.278 663 R C -0.578 175.775 176.300 0.088 0.000 1.010 663 R CA -0.652 55.472 56.100 0.041 0.000 0.896 663 R CB 2.431 32.667 30.300 -0.105 0.000 1.211 663 R HN 0.753 nan 8.270 nan 0.000 0.456 664 G N 1.050 109.916 108.800 0.110 0.000 2.420 664 G HA2 0.587 4.547 3.960 -0.000 0.000 0.331 664 G HA3 0.587 4.547 3.960 -0.000 0.000 0.331 664 G C -1.156 173.830 174.900 0.143 0.000 1.168 664 G CA -0.371 44.818 45.100 0.148 0.000 0.936 664 G HN 0.276 nan 8.290 nan 0.000 0.479 665 V N 1.438 121.435 119.914 0.137 0.000 2.656 665 V HA 0.421 4.541 4.120 -0.000 0.000 0.307 665 V C -1.275 174.895 176.094 0.127 0.000 1.051 665 V CA -0.891 61.481 62.300 0.120 0.000 0.893 665 V CB 1.760 33.639 31.823 0.092 0.000 0.999 665 V HN 0.744 nan 8.190 nan 0.000 0.426 666 Y N 5.297 125.602 120.300 0.009 0.000 2.360 666 Y HA 0.787 5.337 4.550 -0.000 0.000 0.337 666 Y C -0.515 175.373 175.900 -0.020 0.000 1.039 666 Y CA -0.843 57.255 58.100 -0.004 0.000 1.109 666 Y CB 1.382 39.854 38.460 0.020 0.000 1.201 666 Y HN 0.543 nan 8.280 nan 0.000 0.458 667 I N 5.088 125.200 120.570 -0.764 0.000 2.499 667 I HA 0.218 4.388 4.170 -0.000 0.000 0.288 667 I C 0.702 176.219 176.117 -1.001 0.000 1.048 667 I CA -0.585 60.328 61.300 -0.646 0.000 1.062 667 I CB 2.347 40.208 38.000 -0.232 0.000 1.238 667 I HN 0.740 nan 8.210 nan 0.000 0.426 668 S N 3.311 118.561 115.700 -0.751 0.000 2.423 668 S HA 0.222 4.691 4.470 -0.000 0.000 0.231 668 S C 0.805 175.292 174.600 -0.187 0.000 1.014 668 S CA 0.530 58.511 58.200 -0.366 0.000 0.965 668 S CB 0.023 63.186 63.200 -0.062 0.000 0.785 668 S HN 0.978 nan 8.310 nan 0.000 0.495 669 G N -0.344 108.361 108.800 -0.158 0.000 2.489 669 G HA2 0.523 4.482 3.960 -0.000 0.000 0.291 669 G HA3 0.523 4.482 3.960 -0.000 0.000 0.291 669 G C -2.052 172.789 174.900 -0.099 0.000 1.487 669 G CA -0.788 44.180 45.100 -0.220 0.000 0.795 669 G HN 0.551 nan 8.290 nan 0.000 0.513 670 L N 1.167 122.256 121.223 -0.225 0.000 2.392 670 L HA 0.434 4.774 4.340 -0.000 0.000 0.262 670 L C -2.590 174.184 176.870 -0.159 0.000 1.498 670 L CA -0.983 53.769 54.840 -0.146 0.000 0.820 670 L CB 1.897 43.904 42.059 -0.087 0.000 0.990 670 L HN 0.298 nan 8.230 nan 0.000 0.520 671 P HA -0.044 nan 4.420 nan 0.000 0.265 671 P C -1.223 176.100 177.300 0.038 0.000 1.187 671 P CA 0.299 63.378 63.100 -0.036 0.000 0.766 671 P CB 0.136 31.871 31.700 0.058 0.000 0.820 672 Y N 3.597 123.917 120.300 0.034 0.000 2.442 672 Y HA 0.352 4.902 4.550 0.000 0.000 0.330 672 Y C 0.214 176.118 175.900 0.006 0.000 1.129 672 Y CA 0.649 58.755 58.100 0.011 0.000 1.365 672 Y CB 0.240 38.719 38.460 0.030 0.000 1.233 672 Y HN 0.513 nan 8.280 nan 0.000 0.529 673 S N 3.456 118.551 115.700 -1.008 0.000 2.587 673 S HA 0.667 5.137 4.470 -0.000 0.000 0.269 673 S C 0.272 174.388 174.600 -0.807 0.000 1.154 673 S CA -0.616 56.988 58.200 -0.992 0.000 0.824 673 S CB 0.835 63.781 63.200 -0.423 0.000 1.118 673 S HN 1.052 nan 8.310 nan 0.000 0.462 674 A N 1.684 124.195 122.820 -0.515 0.000 1.873 674 A HA 0.127 4.447 4.320 -0.000 0.000 0.218 674 A C 2.417 179.894 177.584 -0.177 0.000 1.193 674 A CA 2.756 54.653 52.037 -0.234 0.000 0.629 674 A CB -1.821 17.101 19.000 -0.131 0.000 0.826 674 A HN 1.811 nan 8.150 nan 0.000 0.447 675 A N 0.021 122.729 122.820 -0.187 0.000 1.892 675 A HA -0.281 4.039 4.320 -0.000 0.000 0.218 675 A C 1.933 179.418 177.584 -0.165 0.000 1.188 675 A CA 2.256 54.197 52.037 -0.161 0.000 0.631 675 A CB -0.787 18.111 19.000 -0.170 0.000 0.822 675 A HN 0.575 nan 8.150 nan 0.000 0.447 676 N N 0.077 118.655 118.700 -0.204 0.000 2.188 676 N HA -0.027 4.713 4.740 -0.000 0.000 0.184 676 N C 1.831 177.291 175.510 -0.084 0.000 1.018 676 N CA 1.472 54.421 53.050 -0.169 0.000 0.858 676 N CB -0.614 37.760 38.487 -0.188 0.000 0.989 676 N HN 0.482 nan 8.380 nan 0.000 0.426 677 A N 1.069 123.851 122.820 -0.062 0.000 1.908 677 A HA -0.159 4.161 4.320 -0.000 0.000 0.218 677 A C 2.265 179.871 177.584 0.036 0.000 1.181 677 A CA 1.709 53.771 52.037 0.043 0.000 0.627 677 A CB -0.470 18.603 19.000 0.122 0.000 0.818 677 A HN 0.187 nan 8.150 nan 0.000 0.445 678 R N -0.431 120.067 120.500 -0.003 0.000 2.081 678 R HA -0.096 4.243 4.340 -0.000 0.000 0.235 678 R C 1.847 178.137 176.300 -0.016 0.000 1.131 678 R CA 1.719 57.822 56.100 0.005 0.000 0.960 678 R CB -0.984 29.296 30.300 -0.032 0.000 0.856 678 R HN 0.410 nan 8.270 nan 0.000 0.436 679 L N 0.049 121.241 121.223 -0.052 0.000 1.989 679 L HA -0.097 4.243 4.340 -0.000 0.000 0.211 679 L C 2.091 178.966 176.870 0.007 0.000 1.071 679 L CA 1.775 56.583 54.840 -0.054 0.000 0.749 679 L CB -0.892 41.117 42.059 -0.084 0.000 0.890 679 L HN 0.369 nan 8.230 nan 0.000 0.431 680 L N -0.252 120.985 121.223 0.024 0.000 2.012 680 L HA -0.249 4.090 4.340 -0.000 0.000 0.210 680 L C 2.529 179.470 176.870 0.118 0.000 1.073 680 L CA 2.182 57.055 54.840 0.056 0.000 0.748 680 L CB -0.795 41.290 42.059 0.044 0.000 0.891 680 L HN 0.533 nan 8.230 nan 0.000 0.431 681 E N -0.722 119.571 120.200 0.155 0.000 2.070 681 E HA -0.292 4.057 4.350 -0.000 0.000 0.197 681 E C 2.361 179.208 176.600 0.411 0.000 1.004 681 E CA 1.488 58.063 56.400 0.291 0.000 0.805 681 E CB -0.087 29.790 29.700 0.296 0.000 0.744 681 E HN 0.470 nan 8.360 nan 0.000 0.451 682 R N -0.147 120.483 120.500 0.217 0.000 2.081 682 R HA -0.114 4.226 4.340 -0.000 0.000 0.235 682 R C 2.504 179.028 176.300 0.374 0.000 1.131 682 R CA 1.274 57.469 56.100 0.159 0.000 0.960 682 R CB -0.317 29.822 30.300 -0.268 0.000 0.856 682 R HN 0.123 nan 8.270 nan 0.000 0.436 683 V N 1.813 121.867 119.914 0.232 0.000 2.282 683 V HA -0.284 3.835 4.120 -0.000 0.000 0.249 683 V C 2.303 178.547 176.094 0.249 0.000 1.057 683 V CA 1.850 64.288 62.300 0.230 0.000 1.032 683 V CB -0.425 31.468 31.823 0.117 0.000 0.645 683 V HN 0.308 nan 8.190 nan 0.000 0.447 684 L N -1.694 119.656 121.223 0.211 0.000 2.017 684 L HA -0.168 4.172 4.340 -0.000 0.000 0.208 684 L C 2.421 179.340 176.870 0.081 0.000 1.073 684 L CA 1.761 56.663 54.840 0.102 0.000 0.745 684 L CB -0.746 41.327 42.059 0.023 0.000 0.894 684 L HN 0.245 nan 8.230 nan 0.000 0.432 685 F N -1.229 118.846 119.950 0.208 0.000 2.186 685 F HA -0.224 4.303 4.527 -0.000 0.000 0.299 685 F C 2.557 178.405 175.800 0.080 0.000 1.090 685 F CA 1.362 59.475 58.000 0.189 0.000 1.307 685 F CB -0.509 38.691 39.000 0.333 0.000 1.019 685 F HN -0.058 nan 8.300 nan 0.000 0.489 686 Y N 0.549 120.967 120.300 0.198 0.000 2.163 686 Y HA -0.160 4.390 4.550 0.000 0.000 0.288 686 Y C 2.380 178.223 175.900 -0.096 0.000 1.136 686 Y CA 1.245 59.322 58.100 -0.038 0.000 1.147 686 Y CB -0.709 37.827 38.460 0.126 0.000 0.987 686 Y HN -0.029 nan 8.280 nan 0.000 0.509 687 A N -0.505 122.343 122.820 0.047 0.000 1.933 687 A HA -0.161 4.159 4.320 -0.000 0.000 0.218 687 A C 2.094 179.580 177.584 -0.163 0.000 1.175 687 A CA 1.789 53.789 52.037 -0.061 0.000 0.628 687 A CB -1.182 17.854 19.000 0.061 0.000 0.814 687 A HN 0.519 nan 8.150 nan 0.000 0.444 688 S N -1.661 113.977 115.700 -0.104 0.000 2.763 688 S HA 0.117 4.587 4.470 -0.000 0.000 0.237 688 S C 0.317 174.894 174.600 -0.039 0.000 0.966 688 S CA 0.107 58.260 58.200 -0.078 0.000 1.017 688 S CB -0.770 62.393 63.200 -0.062 0.000 0.780 688 S HN 0.548 nan 8.310 nan 0.000 0.476 689 H N 0.658 119.612 119.070 -0.193 0.000 2.690 689 H HA -0.153 4.403 4.556 -0.000 0.000 0.309 689 H C -0.376 174.878 175.328 -0.123 0.000 1.138 689 H CA 1.091 57.009 56.048 -0.216 0.000 1.142 689 H CB -2.016 27.637 29.762 -0.182 0.000 1.410 689 H HN 0.690 nan 8.280 nan 0.000 0.409 690 N N -0.018 118.693 118.700 0.019 0.000 2.389 690 N HA 0.046 4.786 4.740 -0.000 0.000 0.260 690 N C 1.113 176.739 175.510 0.193 0.000 1.191 690 N CA -0.179 52.949 53.050 0.130 0.000 0.885 690 N CB 0.565 39.154 38.487 0.170 0.000 1.162 690 N HN 0.321 nan 8.380 nan 0.000 0.512 691 E N 0.886 121.055 120.200 -0.052 0.000 2.086 691 E HA -0.260 4.089 4.350 -0.000 0.000 0.200 691 E C 1.306 177.906 176.600 -0.001 0.000 1.012 691 E CA 1.656 57.905 56.400 -0.252 0.000 0.812 691 E CB -0.043 29.335 29.700 -0.536 0.000 0.743 691 E HN 0.506 nan 8.360 nan 0.000 0.453 692 D N 0.248 120.659 120.400 0.018 0.000 2.378 692 D HA -0.158 4.482 4.640 -0.000 0.000 0.222 692 D C 1.426 177.769 176.300 0.072 0.000 0.980 692 D CA 0.776 54.803 54.000 0.044 0.000 0.907 692 D CB -0.100 40.710 40.800 0.016 0.000 0.899 692 D HN 0.111 nan 8.370 nan 0.000 0.527 693 K N -1.052 119.437 120.400 0.149 0.000 2.379 693 K HA -0.060 4.260 4.320 -0.000 0.000 0.194 693 K C 1.599 178.263 176.600 0.106 0.000 1.031 693 K CA -0.206 56.194 56.287 0.188 0.000 1.037 693 K CB -0.071 32.617 32.500 0.313 0.000 0.824 693 K HN 0.103 nan 8.250 nan 0.000 0.516 694 Y N 0.880 121.072 120.300 -0.180 0.000 2.145 694 Y HA -0.215 4.335 4.550 -0.000 0.000 0.286 694 Y C 1.945 177.625 175.900 -0.367 0.000 1.145 694 Y CA 1.805 59.501 58.100 -0.674 0.000 1.148 694 Y CB -0.348 37.876 38.460 -0.393 0.000 0.981 694 Y HN 0.085 nan 8.280 nan 0.000 0.507 695 A N 1.384 124.067 122.820 -0.228 0.000 1.908 695 A HA 0.031 4.351 4.320 -0.000 0.000 0.218 695 A C 1.634 178.960 177.584 -0.431 0.000 1.181 695 A CA 0.930 52.785 52.037 -0.304 0.000 0.627 695 A CB -1.625 17.316 19.000 -0.100 0.000 0.818 695 A HN 0.575 nan 8.150 nan 0.000 0.445 696 A N -2.018 120.558 122.820 -0.408 0.000 2.522 696 A HA 0.352 4.671 4.320 -0.000 0.000 0.256 696 A C 0.188 177.440 177.584 -0.553 0.000 1.086 696 A CA 0.364 52.017 52.037 -0.640 0.000 0.763 696 A CB -1.239 17.406 19.000 -0.592 0.000 1.024 696 A HN 1.005 nan 8.150 nan 0.000 0.502 697 W N 0.821 121.917 121.300 -0.339 0.000 3.653 697 W HA -0.236 4.424 4.660 -0.000 0.000 0.339 697 W C 0.663 176.977 176.519 -0.341 0.000 1.296 697 W CA 0.320 57.447 57.345 -0.364 0.000 0.693 697 W CB -2.161 27.116 29.460 -0.305 0.000 2.388 697 W HN 1.029 nan 8.180 nan 0.000 1.300 698 S N -0.756 114.791 115.700 -0.255 0.000 2.578 698 S HA 0.776 5.246 4.470 -0.000 0.000 0.301 698 S C -0.091 174.390 174.600 -0.198 0.000 1.091 698 S CA -0.323 57.688 58.200 -0.315 0.000 1.032 698 S CB 2.202 65.024 63.200 -0.630 0.000 1.064 698 S HN 0.371 nan 8.310 nan 0.000 0.508 699 S N 0.826 116.439 115.700 -0.144 0.000 2.508 699 S HA 0.368 4.838 4.470 -0.000 0.000 0.284 699 S C 1.215 175.783 174.600 -0.053 0.000 1.192 699 S CA -0.120 58.033 58.200 -0.078 0.000 1.070 699 S CB 0.922 64.084 63.200 -0.064 0.000 1.004 699 S HN 1.068 nan 8.310 nan 0.000 0.493 700 S N 3.852 119.538 115.700 -0.023 0.000 2.428 700 S HA -0.013 4.456 4.470 -0.000 0.000 0.230 700 S C 0.731 175.327 174.600 -0.006 0.000 1.014 700 S CA 0.281 58.476 58.200 -0.007 0.000 0.957 700 S CB -0.532 62.667 63.200 -0.000 0.000 0.784 700 S HN 0.719 nan 8.310 nan 0.000 0.499 701 N N 2.779 121.476 118.700 -0.005 0.000 2.444 701 N HA 0.344 5.084 4.740 -0.000 0.000 0.271 701 N C -2.284 173.215 175.510 -0.018 0.000 1.069 701 N CA -2.191 50.853 53.050 -0.010 0.000 0.965 701 N CB 1.583 40.070 38.487 0.001 0.000 1.092 701 N HN -0.014 nan 8.380 nan 0.000 0.476 702 P HA -0.060 nan 4.420 nan 0.000 0.222 702 P C 0.407 177.688 177.300 -0.032 0.000 1.147 702 P CA 1.019 64.100 63.100 -0.031 0.000 0.790 702 P CB 0.417 32.086 31.700 -0.052 0.000 0.780 703 E N -1.374 118.809 120.200 -0.029 0.000 2.482 703 E HA -0.010 4.340 4.350 -0.000 0.000 0.196 703 E C 0.391 176.981 176.600 -0.017 0.000 1.047 703 E CA 0.440 56.826 56.400 -0.023 0.000 0.869 703 E CB -0.426 29.264 29.700 -0.017 0.000 0.836 703 E HN 0.294 nan 8.360 nan 0.000 0.520 704 C N 0.163 119.448 119.300 -0.024 0.000 2.779 704 C HA 0.638 5.098 4.460 -0.000 0.000 0.314 704 C C 0.148 175.109 174.990 -0.049 0.000 1.231 704 C CA -0.907 58.087 59.018 -0.040 0.000 1.652 704 C CB 1.988 29.700 27.740 -0.047 0.000 2.198 704 C HN 0.164 nan 8.230 nan 0.000 0.483 705 E N 0.151 120.309 120.200 -0.070 0.000 2.331 705 E HA 0.629 4.978 4.350 -0.000 0.000 0.275 705 E C -1.702 174.837 176.600 -0.102 0.000 0.895 705 E CA -0.361 55.997 56.400 -0.069 0.000 0.753 705 E CB 2.246 31.916 29.700 -0.051 0.000 1.216 705 E HN 0.471 nan 8.360 nan 0.000 0.434 706 V N 1.654 121.513 119.914 -0.091 0.000 2.513 706 V HA 0.728 4.848 4.120 -0.000 0.000 0.299 706 V C -0.473 175.556 176.094 -0.109 0.000 1.035 706 V CA -0.624 61.621 62.300 -0.091 0.000 0.889 706 V CB 1.477 33.264 31.823 -0.060 0.000 0.988 706 V HN 0.732 nan 8.190 nan 0.000 0.440 707 A N 3.290 126.024 122.820 -0.144 0.000 2.304 707 A HA 0.598 4.918 4.320 -0.000 0.000 0.314 707 A C -0.606 176.749 177.584 -0.381 0.000 1.187 707 A CA -0.513 51.347 52.037 -0.296 0.000 0.810 707 A CB 0.463 19.314 19.000 -0.248 0.000 1.183 707 A HN 0.996 nan 8.150 nan 0.000 0.487 708 H N 2.480 121.129 119.070 -0.702 0.000 2.488 708 H HA 0.547 5.103 4.556 -0.000 0.000 0.322 708 H C -1.699 173.123 175.328 -0.843 0.000 1.078 708 H CA -0.590 55.002 56.048 -0.760 0.000 1.260 708 H CB 0.659 29.716 29.762 -1.175 0.000 1.425 708 H HN 0.521 nan 8.280 nan 0.000 0.471 709 F N 7.553 127.244 119.950 -0.432 0.000 2.371 709 F HA 0.230 4.757 4.527 -0.000 0.000 0.343 709 F C -1.672 173.871 175.800 -0.427 0.000 1.150 709 F CA -2.060 55.729 58.000 -0.352 0.000 1.220 709 F CB 1.197 40.145 39.000 -0.085 0.000 1.475 709 F HN 0.525 nan 8.300 nan 0.000 0.521 710 P HA -0.213 nan 4.420 nan 0.000 0.215 710 P C 1.128 178.388 177.300 -0.066 0.000 1.157 710 P CA 1.638 64.525 63.100 -0.356 0.000 0.868 710 P CB 0.430 31.934 31.700 -0.327 0.000 0.788 711 E N -0.410 119.765 120.200 -0.041 0.000 2.401 711 E HA -0.148 4.202 4.350 -0.000 0.000 0.199 711 E C 1.550 178.169 176.600 0.031 0.000 1.023 711 E CA 0.966 57.373 56.400 0.012 0.000 0.859 711 E CB -0.218 29.492 29.700 0.017 0.000 0.780 711 E HN 0.415 nan 8.360 nan 0.000 0.523 712 Q N -1.100 118.728 119.800 0.045 0.000 2.217 712 Q HA 0.246 4.585 4.340 -0.000 0.000 0.217 712 Q C 0.610 176.653 176.000 0.072 0.000 0.844 712 Q CA 0.512 56.343 55.803 0.048 0.000 0.957 712 Q CB 1.204 29.962 28.738 0.033 0.000 1.127 712 Q HN 0.254 nan 8.270 nan 0.000 0.503 713 G N 1.319 110.172 108.800 0.090 0.000 2.333 713 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.296 713 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.296 713 G C -0.613 174.393 174.900 0.176 0.000 1.059 713 G CA 0.148 45.329 45.100 0.135 0.000 1.050 713 G HN 0.168 nan 8.290 nan 0.000 0.508 714 L N -0.211 121.142 121.223 0.218 0.000 2.540 714 L HA 0.809 5.149 4.340 -0.000 0.000 0.256 714 L C -0.419 176.680 176.870 0.382 0.000 1.001 714 L CA -1.209 53.795 54.840 0.273 0.000 0.843 714 L CB 2.197 44.422 42.059 0.277 0.000 1.436 714 L HN 0.607 nan 8.230 nan 0.000 0.410 715 Y N 0.381 120.832 120.300 0.252 0.000 2.588 715 Y HA 0.755 5.304 4.550 -0.000 0.000 0.343 715 Y C -0.473 175.405 175.900 -0.036 0.000 1.065 715 Y CA -1.452 56.722 58.100 0.122 0.000 1.038 715 Y CB 1.346 39.805 38.460 -0.003 0.000 1.297 715 Y HN 0.736 nan 8.280 nan 0.000 0.467 716 C N 2.390 121.606 119.300 -0.139 0.000 2.707 716 C HA 0.929 5.389 4.460 -0.000 0.000 0.313 716 C C -1.016 173.769 174.990 -0.342 0.000 1.209 716 C CA -0.829 57.778 59.018 -0.686 0.000 1.635 716 C CB 1.120 27.876 27.740 -1.641 0.000 2.206 716 C HN 1.241 nan 8.230 nan 0.000 0.485 717 V N 4.805 124.440 119.914 -0.465 0.000 2.638 717 V HA 0.816 4.936 4.120 -0.000 0.000 0.306 717 V C -0.542 175.360 176.094 -0.320 0.000 1.052 717 V CA -0.516 61.560 62.300 -0.373 0.000 0.885 717 V CB 1.620 33.123 31.823 -0.533 0.000 0.999 717 V HN 1.148 nan 8.190 nan 0.000 0.424 718 I N 3.061 123.507 120.570 -0.206 0.000 2.608 718 I HA 0.653 4.823 4.170 -0.000 0.000 0.295 718 I C -0.622 175.449 176.117 -0.075 0.000 1.049 718 I CA -0.745 60.480 61.300 -0.126 0.000 1.063 718 I CB 2.122 40.055 38.000 -0.112 0.000 1.248 718 I HN 0.550 nan 8.210 nan 0.000 0.424 719 N N 3.801 122.484 118.700 -0.028 0.000 2.408 719 N HA 0.243 4.983 4.740 -0.000 0.000 0.257 719 N C 0.024 175.538 175.510 0.007 0.000 1.064 719 N CA -0.038 53.011 53.050 -0.001 0.000 0.952 719 N CB 0.707 39.211 38.487 0.029 0.000 1.093 719 N HN 0.772 nan 8.380 nan 0.000 0.490 720 N N 0.996 119.698 118.700 0.003 0.000 2.571 720 N HA -0.012 4.728 4.740 -0.000 0.000 0.189 720 N C -0.444 175.089 175.510 0.038 0.000 1.154 720 N CA 0.532 53.591 53.050 0.015 0.000 0.907 720 N CB 0.348 38.853 38.487 0.030 0.000 0.977 720 N HN 0.495 nan 8.380 nan 0.000 0.449 721 T N -0.833 113.745 114.554 0.039 0.000 2.887 721 T HA 0.139 4.489 4.350 -0.000 0.000 0.292 721 T C -0.385 174.351 174.700 0.060 0.000 1.087 721 T CA -0.888 61.241 62.100 0.048 0.000 1.009 721 T CB 1.529 70.416 68.868 0.032 0.000 1.203 721 T HN 0.030 nan 8.240 nan 0.000 0.518 722 D N -0.049 120.388 120.400 0.061 0.000 2.519 722 D HA 0.083 4.723 4.640 -0.000 0.000 0.238 722 D C 0.528 176.855 176.300 0.044 0.000 1.192 722 D CA -0.224 53.812 54.000 0.060 0.000 0.835 722 D CB 0.119 40.956 40.800 0.062 0.000 0.975 722 D HN 0.283 nan 8.370 nan 0.000 0.490 723 Q N -0.207 119.616 119.800 0.039 0.000 2.738 723 Q HA 0.504 4.844 4.340 -0.000 0.000 0.197 723 Q C -2.548 173.474 176.000 0.036 0.000 1.012 723 Q CA -1.944 53.878 55.803 0.032 0.000 0.968 723 Q CB -0.225 28.528 28.738 0.025 0.000 1.590 723 Q HN 0.063 nan 8.270 nan 0.000 0.490 724 P HA 0.307 nan 4.420 nan 0.000 0.300 724 P C -1.007 176.313 177.300 0.034 0.000 1.326 724 P CA -0.398 62.724 63.100 0.037 0.000 0.844 724 P CB 1.194 32.914 31.700 0.033 0.000 0.992 725 Q N 2.222 122.047 119.800 0.042 0.000 2.321 725 Q HA 0.378 4.718 4.340 -0.000 0.000 0.270 725 Q C -0.707 175.326 176.000 0.055 0.000 1.032 725 Q CA -0.505 55.320 55.803 0.037 0.000 0.784 725 Q CB 2.932 31.687 28.738 0.028 0.000 1.264 725 Q HN 0.330 nan 8.270 nan 0.000 0.448 726 K N 1.140 121.570 120.400 0.050 0.000 2.213 726 K HA 0.612 4.932 4.320 -0.000 0.000 0.270 726 K C -0.416 176.225 176.600 0.068 0.000 1.002 726 K CA -0.184 56.143 56.287 0.066 0.000 0.868 726 K CB 1.626 34.154 32.500 0.048 0.000 1.093 726 K HN 0.417 nan 8.250 nan 0.000 0.454 727 T N 0.956 115.577 114.554 0.111 0.000 2.894 727 T HA 0.316 4.666 4.350 -0.000 0.000 0.309 727 T C -1.268 173.535 174.700 0.171 0.000 1.208 727 T CA -0.565 61.599 62.100 0.106 0.000 1.016 727 T CB 1.526 70.433 68.868 0.066 0.000 1.192 727 T HN 0.406 nan 8.240 nan 0.000 0.491 728 T N 2.894 117.517 114.554 0.114 0.000 2.756 728 T HA 0.526 4.876 4.350 -0.000 0.000 0.290 728 T C -0.198 174.562 174.700 0.100 0.000 0.985 728 T CA -0.414 61.755 62.100 0.116 0.000 0.955 728 T CB 0.915 69.808 68.868 0.042 0.000 0.930 728 T HN 0.454 nan 8.240 nan 0.000 0.451 729 V N 4.186 124.213 119.914 0.188 0.000 2.498 729 V HA 0.328 4.448 4.120 -0.000 0.000 0.279 729 V C 0.655 176.717 176.094 -0.053 0.000 1.048 729 V CA -0.451 61.886 62.300 0.062 0.000 0.967 729 V CB 1.421 33.328 31.823 0.140 0.000 0.988 729 V HN 0.901 nan 8.190 nan 0.000 0.473 730 T N 6.840 121.283 114.554 -0.185 0.000 2.749 730 T HA 0.546 4.896 4.350 -0.000 0.000 0.287 730 T C 0.014 174.400 174.700 -0.523 0.000 0.970 730 T CA -0.297 61.636 62.100 -0.278 0.000 0.980 730 T CB 0.489 69.201 68.868 -0.261 0.000 0.924 730 T HN 0.347 nan 8.240 nan 0.000 0.456 731 L N 1.701 122.577 121.223 -0.578 0.000 2.479 731 L HA 0.500 4.840 4.340 -0.000 0.000 0.249 731 L C 1.925 178.125 176.870 -1.117 0.000 1.178 731 L CA -0.967 53.229 54.840 -1.073 0.000 0.811 731 L CB 0.043 41.764 42.059 -0.564 0.000 1.187 731 L HN 0.674 nan 8.230 nan 0.000 0.480 732 A N 0.335 122.293 122.820 -1.438 0.000 2.067 732 A HA -0.148 4.172 4.320 -0.000 0.000 0.219 732 A C 1.330 178.694 177.584 -0.366 0.000 1.158 732 A CA 1.415 52.971 52.037 -0.802 0.000 0.661 732 A CB -0.774 17.969 19.000 -0.428 0.000 0.801 732 A HN 0.921 nan 8.150 nan 0.000 0.452 733 D N -3.194 117.033 120.400 -0.289 0.000 2.339 733 D HA 0.342 4.982 4.640 -0.000 0.000 0.217 733 D C 1.134 177.351 176.300 -0.138 0.000 1.050 733 D CA 0.902 54.816 54.000 -0.142 0.000 0.856 733 D CB -0.069 40.691 40.800 -0.067 0.000 0.922 733 D HN 0.560 nan 8.370 nan 0.000 0.518 734 G N -0.043 108.638 108.800 -0.199 0.000 2.254 734 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.225 734 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.225 734 G C 0.631 175.450 174.900 -0.136 0.000 1.003 734 G CA 0.200 45.208 45.100 -0.154 0.000 0.622 734 G HN 0.732 nan 8.290 nan 0.000 0.507 735 T N 0.320 114.799 114.554 -0.125 0.000 2.813 735 T HA 0.552 4.902 4.350 -0.000 0.000 0.297 735 T C 0.401 175.042 174.700 -0.097 0.000 1.036 735 T CA 0.851 62.900 62.100 -0.085 0.000 1.044 735 T CB 1.640 70.480 68.868 -0.046 0.000 0.993 735 T HN 1.438 nan 8.240 nan 0.000 0.535 736 T N -0.734 113.786 114.554 -0.057 0.000 2.863 736 T HA 0.587 4.937 4.350 -0.000 0.000 0.285 736 T C -0.945 173.750 174.700 -0.009 0.000 1.009 736 T CA -0.948 61.127 62.100 -0.040 0.000 0.989 736 T CB 1.838 70.683 68.868 -0.037 0.000 1.004 736 T HN 0.649 nan 8.240 nan 0.000 0.455 737 E N 2.165 122.385 120.200 0.033 0.000 2.218 737 E HA 0.331 4.681 4.350 -0.000 0.000 0.263 737 E C -1.224 175.331 176.600 -0.075 0.000 0.879 737 E CA -0.575 55.819 56.400 -0.009 0.000 0.762 737 E CB 1.947 31.723 29.700 0.126 0.000 1.166 737 E HN 0.692 nan 8.360 nan 0.000 0.415 738 D N 1.877 122.139 120.400 -0.230 0.000 2.253 738 D HA 0.459 5.099 4.640 -0.000 0.000 0.249 738 D C -0.546 175.476 176.300 -0.463 0.000 1.049 738 D CA 0.109 54.009 54.000 -0.167 0.000 0.929 738 D CB 0.692 41.444 40.800 -0.081 0.000 1.176 738 D HN 0.200 nan 8.370 nan 0.000 0.437 739 F N 0.124 120.099 119.950 0.042 0.000 2.588 739 F HA 0.233 4.760 4.527 -0.000 0.000 0.310 739 F C -0.090 175.730 175.800 0.033 0.000 1.082 739 F CA -0.932 57.095 58.000 0.045 0.000 0.929 739 F CB 2.037 41.069 39.000 0.054 0.000 1.254 739 F HN -0.002 nan 8.300 nan 0.000 0.455 740 D N 3.581 124.107 120.400 0.209 0.000 2.454 740 D HA 0.364 5.003 4.640 -0.000 0.000 0.247 740 D C -1.237 175.148 176.300 0.143 0.000 1.129 740 D CA -0.114 53.967 54.000 0.135 0.000 0.877 740 D CB 1.044 41.892 40.800 0.080 0.000 1.082 740 D HN 0.439 nan 8.370 nan 0.000 0.537 741 L N 5.542 126.841 121.223 0.125 0.000 2.264 741 L HA 0.404 4.744 4.340 -0.000 0.000 0.289 741 L C -1.845 175.071 176.870 0.078 0.000 1.044 741 L CA -1.578 53.325 54.840 0.104 0.000 0.807 741 L CB 1.591 43.693 42.059 0.072 0.000 1.192 741 L HN 0.180 nan 8.230 nan 0.000 0.425 742 P HA -0.033 nan 4.420 nan 0.000 0.272 742 P C -0.623 176.713 177.300 0.061 0.000 1.240 742 P CA -0.479 62.658 63.100 0.061 0.000 0.791 742 P CB 0.484 32.220 31.700 0.059 0.000 0.978 743 D N 1.827 122.257 120.400 0.049 0.000 3.683 743 D HA -0.166 4.473 4.640 -0.000 0.000 0.201 743 D C 0.212 176.561 176.300 0.081 0.000 1.100 743 D CA 1.403 55.435 54.000 0.053 0.000 0.742 743 D CB -0.417 40.405 40.800 0.036 0.000 1.168 743 D HN 0.483 nan 8.370 nan 0.000 0.585 744 S N 1.269 117.025 115.700 0.094 0.000 3.410 744 S HA -0.138 4.332 4.470 -0.000 0.000 0.369 744 S C 0.788 175.486 174.600 0.164 0.000 0.961 744 S CA 0.508 58.786 58.200 0.131 0.000 1.248 744 S CB -2.022 61.290 63.200 0.186 0.000 0.914 744 S HN 0.823 nan 8.310 nan 0.000 0.497 745 G N 0.103 108.976 108.800 0.121 0.000 2.588 745 G HA2 0.680 4.640 3.960 -0.000 0.000 0.281 745 G HA3 0.680 4.640 3.960 -0.000 0.000 0.281 745 G C -0.335 174.635 174.900 0.117 0.000 1.236 745 G CA -0.554 44.629 45.100 0.138 0.000 0.969 745 G HN 1.167 nan 8.290 nan 0.000 0.504 746 I N -0.581 120.066 120.570 0.129 0.000 2.649 746 I HA 0.576 4.746 4.170 -0.000 0.000 0.289 746 I C -0.587 175.566 176.117 0.060 0.000 1.222 746 I CA -0.710 60.621 61.300 0.052 0.000 1.046 746 I CB 1.717 39.824 38.000 0.179 0.000 1.272 746 I HN 0.718 nan 8.210 nan 0.000 0.425 747 A N 6.159 128.887 122.820 -0.153 0.000 2.374 747 A HA 0.838 5.158 4.320 -0.000 0.000 0.317 747 A C -2.189 175.227 177.584 -0.280 0.000 1.094 747 A CA -0.348 51.674 52.037 -0.025 0.000 0.765 747 A CB 0.949 19.998 19.000 0.082 0.000 1.268 747 A HN 0.681 nan 8.150 nan 0.000 0.438 748 W N 1.568 122.861 121.300 -0.012 0.000 2.785 748 W HA 0.720 5.380 4.660 -0.000 0.000 0.333 748 W C 0.302 176.733 176.519 -0.147 0.000 1.062 748 W CA -0.326 56.956 57.345 -0.105 0.000 1.233 748 W CB 1.711 31.133 29.460 -0.063 0.000 1.413 748 W HN 0.638 nan 8.180 nan 0.000 0.489 749 R N 0.000 120.380 120.500 -0.201 0.000 2.786 749 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 749 R CA 0.000 55.982 56.100 -0.197 0.000 0.921 749 R CB 0.000 30.068 30.300 -0.387 0.000 0.687 749 R HN 0.000 nan 8.270 nan 0.000 0.535