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 3lmm_1_B DATA FIRST_RESID 9 DATA SEQUENCE EGRREQLIAQ VESILASAAD GRVQKTKETQ SVDFKEEAGR RNGPQIEPGK DATA SEQUENCE PENPEAADKL ADEVAcXANT PGGGALIVGI EDKTGRIIGT ELDIDWLRQG DATA SEQUENCE IFTRIDVAPD VVAKRVLGQR VLAIYVAAAA EPIEDTSDRL RWRVGDScRP DATA SEQUENCE VDRAEWWEYQ RAQSGFDPXA QVTTATLGDA RPAALALARK WDPAFAELTD DATA SEQUENCE EELLRGIGAL DAEGFLSQAG KLLFTSLDRT AIELSIFDVH GGQVLNRVVP DATA SEQUENCE EPEKSCLEQL DYLEQALNVV NKNXXXXXXX XXXXVPEIPR LAVREAXLNA DATA SEQUENCE XIHRDWNRSE PIDVRWIELD STLIVRSPGG FPAAITSENV LSNRAARYPA DATA SEQUENCE LADLYRALGL VDKQGVGVDR XYQAXIALGH RPPTIEEIAG PFVETTLVGG DATA SEQUENCE RPVLPVLELV SSIVPEARQD DYRIAIVLYL LFQRPFITID VVARGLQSGK DATA SEQUENCE EAARNALEAA RQTTVAGAPL IIAHDGVWLL GNACREILRK VEPSPFSPVR DATA SEQUENCE YLSTDQAELT NAAXLWLSEV GDLATSDLXA XCGVSRGTAK ACVDGLVDEE DATA SEQUENCE RVVAVGGGRS RRYRLV 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 9 E HA 0.000 nan 4.350 nan 0.000 0.291 9 E C 0.000 176.594 176.600 -0.010 0.000 1.382 9 E CA 0.000 56.400 56.400 -0.001 0.000 0.976 9 E CB 0.000 29.707 29.700 0.011 0.000 0.812 10 G N 0.464 109.261 108.800 -0.004 0.000 2.464 10 G HA2 -0.170 3.790 3.960 0.000 0.000 0.217 10 G HA3 -0.170 3.790 3.960 0.000 0.000 0.217 10 G C 1.300 176.194 174.900 -0.010 0.000 1.138 10 G CA 1.008 46.104 45.100 -0.008 0.000 0.793 10 G HN 0.323 nan 8.290 nan 0.000 0.539 11 R N 0.315 120.812 120.500 -0.004 0.000 2.115 11 R HA 0.007 4.347 4.340 0.000 0.000 0.226 11 R C 2.488 178.782 176.300 -0.011 0.000 1.100 11 R CA 1.009 57.109 56.100 0.000 0.000 0.980 11 R CB -0.160 30.148 30.300 0.012 0.000 0.875 11 R HN 0.207 nan 8.270 nan 0.000 0.445 12 R N 1.446 121.927 120.500 -0.030 0.000 2.127 12 R HA -0.138 4.202 4.340 0.000 0.000 0.238 12 R C 1.377 177.598 176.300 -0.131 0.000 1.134 12 R CA 2.119 58.167 56.100 -0.086 0.000 0.975 12 R CB -0.256 29.979 30.300 -0.108 0.000 0.865 12 R HN 0.461 nan 8.270 nan 0.000 0.447 13 E N -0.103 120.048 120.200 -0.081 0.000 2.072 13 E HA -0.225 4.125 4.350 0.000 0.000 0.190 13 E C 1.944 178.522 176.600 -0.036 0.000 0.982 13 E CA 1.171 57.528 56.400 -0.071 0.000 0.803 13 E CB -0.218 29.456 29.700 -0.044 0.000 0.755 13 E HN 0.557 nan 8.360 nan 0.000 0.453 14 Q N 0.811 120.602 119.800 -0.015 0.000 2.096 14 Q HA -0.217 4.123 4.340 0.000 0.000 0.204 14 Q C 2.196 178.215 176.000 0.032 0.000 0.982 14 Q CA 1.118 56.925 55.803 0.007 0.000 0.850 14 Q CB 0.014 28.757 28.738 0.007 0.000 0.901 14 Q HN 0.150 nan 8.270 nan 0.000 0.422 15 L N 0.654 121.905 121.223 0.047 0.000 2.046 15 L HA -0.156 4.184 4.340 0.000 0.000 0.208 15 L C 2.199 179.200 176.870 0.217 0.000 1.077 15 L CA 1.524 56.444 54.840 0.133 0.000 0.747 15 L CB -0.554 41.621 42.059 0.193 0.000 0.896 15 L HN 0.351 nan 8.230 nan 0.000 0.432 16 I N -1.116 119.510 120.570 0.094 0.000 2.163 16 I HA -0.344 3.826 4.170 0.000 0.000 0.243 16 I C 2.569 178.761 176.117 0.125 0.000 1.085 16 I CA 1.188 62.556 61.300 0.114 0.000 1.347 16 I CB -0.638 37.291 38.000 -0.119 0.000 1.044 16 I HN 0.263 nan 8.210 nan 0.000 0.408 17 A N 0.480 123.337 122.820 0.062 0.000 1.892 17 A HA -0.300 4.020 4.320 0.000 0.000 0.218 17 A C 2.264 179.889 177.584 0.068 0.000 1.188 17 A CA 1.899 53.967 52.037 0.052 0.000 0.631 17 A CB -0.788 18.229 19.000 0.030 0.000 0.822 17 A HN 0.501 nan 8.150 nan 0.000 0.447 18 Q N -0.545 119.300 119.800 0.076 0.000 2.061 18 Q HA -0.153 4.187 4.340 0.000 0.000 0.204 18 Q C 2.198 178.249 176.000 0.086 0.000 0.984 18 Q CA 1.884 57.728 55.803 0.067 0.000 0.846 18 Q CB -0.483 28.289 28.738 0.056 0.000 0.902 18 Q HN 0.553 nan 8.270 nan 0.000 0.421 19 V N 1.398 121.388 119.914 0.126 0.000 2.295 19 V HA -0.235 3.885 4.120 0.000 0.000 0.246 19 V C 2.172 178.331 176.094 0.108 0.000 1.049 19 V CA 1.729 64.102 62.300 0.122 0.000 1.024 19 V CB -0.618 31.293 31.823 0.147 0.000 0.648 19 V HN 0.305 nan 8.190 nan 0.000 0.447 20 E N 0.361 120.626 120.200 0.108 0.000 2.038 20 E HA -0.232 4.118 4.350 0.000 0.000 0.195 20 E C 2.505 179.144 176.600 0.064 0.000 1.000 20 E CA 1.798 58.246 56.400 0.080 0.000 0.803 20 E CB -0.641 29.101 29.700 0.069 0.000 0.750 20 E HN 0.566 nan 8.360 nan 0.000 0.448 21 S N 0.501 116.238 115.700 0.061 0.000 2.383 21 S HA -0.129 4.341 4.470 0.000 0.000 0.229 21 S C 2.103 176.739 174.600 0.060 0.000 1.030 21 S CA 0.843 59.073 58.200 0.051 0.000 1.002 21 S CB -0.223 63.003 63.200 0.043 0.000 0.829 21 S HN 0.189 nan 8.310 nan 0.000 0.467 22 I N 1.011 121.629 120.570 0.081 0.000 2.252 22 I HA -0.148 4.022 4.170 0.000 0.000 0.245 22 I C 2.195 178.364 176.117 0.087 0.000 1.102 22 I CA 0.997 62.363 61.300 0.111 0.000 1.385 22 I CB -0.381 37.730 38.000 0.185 0.000 1.064 22 I HN 0.315 nan 8.210 nan 0.000 0.414 23 L N 0.706 121.971 121.223 0.070 0.000 2.056 23 L HA -0.155 4.185 4.340 0.000 0.000 0.207 23 L C 2.856 179.745 176.870 0.031 0.000 1.078 23 L CA 1.200 56.065 54.840 0.042 0.000 0.749 23 L CB -0.752 41.331 42.059 0.041 0.000 0.901 23 L HN 0.216 nan 8.230 nan 0.000 0.433 24 A N 0.104 122.945 122.820 0.036 0.000 2.076 24 A HA -0.197 4.123 4.320 0.000 0.000 0.220 24 A C 2.355 179.954 177.584 0.024 0.000 1.160 24 A CA 1.852 53.906 52.037 0.028 0.000 0.653 24 A CB -0.558 18.459 19.000 0.029 0.000 0.801 24 A HN 0.533 nan 8.150 nan 0.000 0.455 25 S N -0.590 115.128 115.700 0.030 0.000 2.631 25 S HA 0.509 4.979 4.470 0.000 0.000 0.217 25 S C 0.825 175.435 174.600 0.018 0.000 0.958 25 S CA 0.281 58.497 58.200 0.027 0.000 0.920 25 S CB -0.663 62.560 63.200 0.038 0.000 0.776 25 S HN 0.920 nan 8.310 nan 0.000 0.517 26 A N 1.365 124.192 122.820 0.011 0.000 2.545 26 A HA 0.597 4.917 4.320 0.000 0.000 0.253 26 A C 0.526 178.108 177.584 -0.003 0.000 1.074 26 A CA 0.403 52.439 52.037 -0.003 0.000 0.760 26 A CB -0.757 18.238 19.000 -0.008 0.000 1.005 26 A HN 1.507 nan 8.150 nan 0.000 0.506 27 A N 2.632 125.448 122.820 -0.007 0.000 2.590 27 A HA 0.579 4.899 4.320 0.000 0.000 0.296 27 A C -0.044 177.535 177.584 -0.008 0.000 1.050 27 A CA 0.024 52.057 52.037 -0.005 0.000 0.697 27 A CB 0.147 19.148 19.000 0.001 0.000 1.277 27 A HN 1.131 nan 8.150 nan 0.000 0.411 28 D N 0.003 120.398 120.400 -0.008 0.000 3.076 28 D HA -0.066 4.574 4.640 0.000 0.000 0.218 28 D C 1.093 177.384 176.300 -0.014 0.000 1.156 28 D CA 3.141 57.136 54.000 -0.009 0.000 0.921 28 D CB -1.002 39.795 40.800 -0.005 0.000 1.113 28 D HN 2.430 nan 8.370 nan 0.000 0.418 29 G N -0.282 108.506 108.800 -0.020 0.000 2.132 29 G HA2 -0.322 3.638 3.960 0.000 0.000 0.234 29 G HA3 -0.322 3.638 3.960 0.000 0.000 0.234 29 G C 0.063 174.939 174.900 -0.041 0.000 0.989 29 G CA 0.295 45.378 45.100 -0.028 0.000 0.676 29 G HN 0.748 nan 8.290 nan 0.000 0.522 30 R N -1.505 118.970 120.500 -0.041 0.000 2.629 30 R HA 0.682 5.022 4.340 0.000 0.000 0.266 30 R C -0.368 175.904 176.300 -0.047 0.000 1.051 30 R CA -0.365 55.699 56.100 -0.059 0.000 0.895 30 R CB 1.266 31.539 30.300 -0.044 0.000 1.246 30 R HN 0.931 nan 8.270 nan 0.000 0.459 31 V N -0.904 118.965 119.914 -0.075 0.000 2.966 31 V HA 0.640 4.760 4.120 0.000 0.000 0.317 31 V C -0.494 175.629 176.094 0.049 0.000 1.070 31 V CA -0.821 61.467 62.300 -0.021 0.000 1.008 31 V CB 1.602 33.402 31.823 -0.039 0.000 1.070 31 V HN 0.781 nan 8.190 nan 0.000 0.457 32 Q N 0.661 120.520 119.800 0.098 0.000 2.413 32 Q HA 0.608 4.948 4.340 0.000 0.000 0.276 32 Q C -0.987 175.106 176.000 0.155 0.000 1.099 32 Q CA -0.524 55.355 55.803 0.128 0.000 0.814 32 Q CB 2.474 31.255 28.738 0.071 0.000 1.379 32 Q HN 0.865 nan 8.270 nan 0.000 0.436 33 K N -0.016 120.461 120.400 0.129 0.000 2.166 33 K HA 0.781 5.101 4.320 0.000 0.000 0.245 33 K C -0.716 175.898 176.600 0.024 0.000 0.967 33 K CA -0.760 55.562 56.287 0.057 0.000 0.863 33 K CB 1.638 34.115 32.500 -0.039 0.000 1.107 33 K HN 0.749 nan 8.250 nan 0.000 0.436 34 T N -2.648 111.908 114.554 0.004 0.000 2.916 34 T HA 0.263 4.613 4.350 0.000 0.000 0.292 34 T C 0.860 175.550 174.700 -0.016 0.000 1.055 34 T CA -1.063 61.037 62.100 0.000 0.000 1.009 34 T CB 1.784 70.657 68.868 0.008 0.000 1.118 34 T HN 0.620 nan 8.240 nan 0.000 0.497 35 K N 0.240 120.631 120.400 -0.015 0.000 2.144 35 K HA -0.226 4.094 4.320 0.000 0.000 0.209 35 K C 1.813 178.398 176.600 -0.024 0.000 1.047 35 K CA 1.839 58.113 56.287 -0.021 0.000 0.927 35 K CB -0.043 32.448 32.500 -0.015 0.000 0.716 35 K HN 0.602 nan 8.250 nan 0.000 0.454 36 E N -0.571 119.619 120.200 -0.016 0.000 2.150 36 E HA -0.107 4.243 4.350 0.000 0.000 0.193 36 E C 1.445 178.034 176.600 -0.018 0.000 0.985 36 E CA 1.660 58.052 56.400 -0.013 0.000 0.814 36 E CB 0.133 29.831 29.700 -0.003 0.000 0.752 36 E HN 0.542 nan 8.360 nan 0.000 0.466 37 T N -2.675 111.864 114.554 -0.025 0.000 3.252 37 T HA 0.161 4.511 4.350 0.000 0.000 0.286 37 T C 1.266 175.914 174.700 -0.087 0.000 1.013 37 T CA -0.319 61.758 62.100 -0.038 0.000 0.914 37 T CB 0.633 69.493 68.868 -0.014 0.000 1.131 37 T HN -0.046 nan 8.240 nan 0.000 0.529 38 Q N 1.414 121.162 119.800 -0.086 0.000 2.181 38 Q HA -0.070 4.270 4.340 0.000 0.000 0.205 38 Q C 1.562 177.468 176.000 -0.157 0.000 0.980 38 Q CA 1.385 57.115 55.803 -0.120 0.000 0.862 38 Q CB -0.251 28.437 28.738 -0.084 0.000 0.905 38 Q HN 0.525 nan 8.270 nan 0.000 0.429 39 S N -0.103 115.522 115.700 -0.125 0.000 2.603 39 S HA 0.079 4.549 4.470 0.000 0.000 0.220 39 S C 0.140 174.654 174.600 -0.144 0.000 0.967 39 S CA -0.238 57.887 58.200 -0.125 0.000 0.920 39 S CB 0.279 63.424 63.200 -0.092 0.000 0.773 39 S HN 0.131 nan 8.310 nan 0.000 0.529 40 V N 2.646 122.445 119.914 -0.193 0.000 2.715 40 V HA 0.100 4.220 4.120 0.000 0.000 0.299 40 V C 0.360 176.283 176.094 -0.285 0.000 1.054 40 V CA -0.384 61.796 62.300 -0.200 0.000 1.077 40 V CB 0.739 32.442 31.823 -0.200 0.000 0.972 40 V HN 0.170 nan 8.190 nan 0.000 0.484 41 D N 3.672 123.984 120.400 -0.148 0.000 2.380 41 D HA 0.268 4.908 4.640 0.000 0.000 0.230 41 D C -0.450 175.891 176.300 0.068 0.000 1.154 41 D CA -0.125 53.824 54.000 -0.084 0.000 0.859 41 D CB 0.313 41.096 40.800 -0.028 0.000 1.045 41 D HN 0.388 nan 8.370 nan 0.000 0.495 42 F N 3.604 123.542 119.950 -0.020 0.000 2.438 42 F HA 0.211 4.738 4.527 0.000 0.000 0.360 42 F C 1.208 177.000 175.800 -0.013 0.000 1.118 42 F CA -0.415 57.575 58.000 -0.018 0.000 1.164 42 F CB 0.810 39.802 39.000 -0.012 0.000 1.131 42 F HN -0.136 nan 8.300 nan 0.000 0.527 43 K N 3.847 124.351 120.400 0.173 0.000 2.397 43 K HA 0.212 4.532 4.320 0.000 0.000 0.253 43 K C -0.803 175.825 176.600 0.046 0.000 0.932 43 K CA -0.617 55.723 56.287 0.089 0.000 0.795 43 K CB 2.279 34.817 32.500 0.064 0.000 1.159 43 K HN 0.622 nan 8.250 nan 0.000 0.424 44 E N 2.597 122.818 120.200 0.034 0.000 2.174 44 E HA 0.056 4.406 4.350 0.000 0.000 0.282 44 E C -0.690 175.922 176.600 0.020 0.000 0.992 44 E CA -0.360 56.047 56.400 0.013 0.000 0.803 44 E CB 1.005 30.709 29.700 0.006 0.000 1.090 44 E HN 0.456 nan 8.360 nan 0.000 0.396 45 E N 3.236 123.447 120.200 0.018 0.000 2.694 45 E HA 0.010 4.360 4.350 0.000 0.000 0.250 45 E C -0.812 175.803 176.600 0.026 0.000 0.963 45 E CA -0.078 56.339 56.400 0.029 0.000 0.949 45 E CB 0.470 30.186 29.700 0.026 0.000 0.911 45 E HN 0.536 nan 8.360 nan 0.000 0.500 46 A N 3.483 126.323 122.820 0.034 0.000 2.332 46 A HA 0.539 4.859 4.320 0.000 0.000 0.258 46 A C 1.073 178.674 177.584 0.028 0.000 1.087 46 A CA 0.188 52.242 52.037 0.029 0.000 0.802 46 A CB 0.476 19.495 19.000 0.032 0.000 1.042 46 A HN 1.140 nan 8.150 nan 0.000 0.489 47 G N 0.121 108.934 108.800 0.021 0.000 2.149 47 G HA2 -0.192 3.768 3.960 0.000 0.000 0.235 47 G HA3 -0.192 3.768 3.960 0.000 0.000 0.235 47 G C 0.454 175.360 174.900 0.011 0.000 1.018 47 G CA 0.528 45.638 45.100 0.018 0.000 0.728 47 G HN 0.804 nan 8.290 nan 0.000 0.508 48 R N -1.237 119.267 120.500 0.007 0.000 2.541 48 R HA 0.139 4.479 4.340 0.000 0.000 0.332 48 R C 0.360 176.660 176.300 0.000 0.000 0.951 48 R CA -0.632 55.469 56.100 0.001 0.000 1.136 48 R CB 0.598 30.898 30.300 -0.001 0.000 1.449 48 R HN 0.087 nan 8.270 nan 0.000 0.531 49 R N 1.956 122.458 120.500 0.003 0.000 2.210 49 R HA 0.154 4.494 4.340 0.000 0.000 0.338 49 R C 0.015 176.316 176.300 0.002 0.000 1.062 49 R CA -0.073 56.028 56.100 0.002 0.000 0.902 49 R CB 0.345 30.647 30.300 0.004 0.000 1.050 49 R HN 0.038 nan 8.270 nan 0.000 0.461 50 N N 2.201 120.901 118.700 -0.000 0.000 2.546 50 N HA 0.090 4.830 4.740 0.000 0.000 0.286 50 N C 0.606 176.116 175.510 -0.000 0.000 1.259 50 N CA 0.598 53.648 53.050 -0.000 0.000 0.939 50 N CB 0.493 38.979 38.487 -0.002 0.000 1.243 50 N HN 0.855 nan 8.380 nan 0.000 0.511 51 G N 1.878 110.678 108.800 0.001 0.000 2.650 51 G HA2 -0.282 3.678 3.960 0.000 0.000 0.264 51 G HA3 -0.282 3.678 3.960 0.000 0.000 0.264 51 G C -1.269 173.631 174.900 -0.000 0.000 1.263 51 G CA 0.223 45.323 45.100 0.001 0.000 0.960 51 G HN 0.367 nan 8.290 nan 0.000 0.548 52 P HA 0.082 nan 4.420 nan 0.000 0.217 52 P C 0.833 178.131 177.300 -0.004 0.000 1.154 52 P CA 1.895 64.994 63.100 -0.002 0.000 0.841 52 P CB -0.121 31.577 31.700 -0.002 0.000 0.788 53 Q N 0.958 120.755 119.800 -0.004 0.000 2.226 53 Q HA 0.613 4.953 4.340 0.000 0.000 0.256 53 Q C 0.185 176.181 176.000 -0.006 0.000 0.962 53 Q CA -1.033 54.767 55.803 -0.005 0.000 0.887 53 Q CB 1.442 30.177 28.738 -0.006 0.000 1.282 53 Q HN 0.219 nan 8.270 nan 0.000 0.449 54 I N -1.844 118.722 120.570 -0.008 0.000 2.493 54 I HA 0.548 4.718 4.170 0.000 0.000 0.298 54 I C -0.365 175.747 176.117 -0.009 0.000 0.998 54 I CA -1.271 60.024 61.300 -0.008 0.000 1.137 54 I CB 1.785 39.779 38.000 -0.009 0.000 1.310 54 I HN 0.491 nan 8.210 nan 0.000 0.445 55 E N 4.805 124.999 120.200 -0.009 0.000 2.392 55 E HA 0.340 4.690 4.350 0.000 0.000 0.256 55 E C -2.276 174.316 176.600 -0.014 0.000 1.145 55 E CA -1.618 54.775 56.400 -0.011 0.000 0.929 55 E CB 0.294 29.988 29.700 -0.010 0.000 0.998 55 E HN 0.523 nan 8.360 nan 0.000 0.442 56 P HA 0.117 nan 4.420 nan 0.000 0.275 56 P C -0.122 177.163 177.300 -0.025 0.000 1.227 56 P CA -0.364 62.724 63.100 -0.020 0.000 0.781 56 P CB 0.553 32.240 31.700 -0.021 0.000 0.906 57 G N 3.430 112.214 108.800 -0.026 0.000 2.354 57 G HA2 0.162 4.122 3.960 0.000 0.000 0.266 57 G HA3 0.162 4.122 3.960 0.000 0.000 0.266 57 G C 0.105 174.976 174.900 -0.048 0.000 1.242 57 G CA -0.433 44.648 45.100 -0.032 0.000 0.923 57 G HN 0.317 nan 8.290 nan 0.000 0.476 58 K N 3.519 123.880 120.400 -0.065 0.000 2.090 58 K HA 0.260 4.580 4.320 0.000 0.000 0.250 58 K C -1.535 174.981 176.600 -0.141 0.000 1.004 58 K CA -2.064 54.164 56.287 -0.099 0.000 0.919 58 K CB 2.055 34.488 32.500 -0.111 0.000 1.045 58 K HN 0.228 nan 8.250 nan 0.000 0.471 59 P HA -0.030 nan 4.420 nan 0.000 0.222 59 P C -0.479 176.531 177.300 -0.483 0.000 1.153 59 P CA 1.030 63.989 63.100 -0.235 0.000 0.798 59 P CB 0.669 32.252 31.700 -0.194 0.000 0.796 60 E N -0.057 119.772 120.200 -0.619 0.000 2.224 60 E HA 0.384 4.734 4.350 0.000 0.000 0.265 60 E C -0.846 175.381 176.600 -0.622 0.000 0.878 60 E CA -0.469 55.221 56.400 -1.184 0.000 0.759 60 E CB 1.541 30.570 29.700 -1.118 0.000 1.164 60 E HN -0.042 nan 8.360 nan 0.000 0.414 61 N N 4.631 123.058 118.700 -0.455 0.000 2.653 61 N HA 0.154 4.894 4.740 0.000 0.000 0.261 61 N C -2.061 173.698 175.510 0.414 0.000 1.216 61 N CA -1.707 51.373 53.050 0.050 0.000 0.784 61 N CB 1.160 39.671 38.487 0.041 0.000 1.327 61 N HN 0.245 nan 8.380 nan 0.000 0.539 62 P HA -0.230 nan 4.420 nan 0.000 0.216 62 P C 0.946 178.354 177.300 0.181 0.000 1.150 62 P CA 1.254 64.551 63.100 0.329 0.000 0.843 62 P CB 0.462 32.296 31.700 0.223 0.000 0.787 63 E N 0.373 120.655 120.200 0.135 0.000 2.038 63 E HA -0.188 4.162 4.350 0.000 0.000 0.195 63 E C 2.163 178.815 176.600 0.086 0.000 1.000 63 E CA 1.488 57.939 56.400 0.085 0.000 0.803 63 E CB -0.600 29.138 29.700 0.062 0.000 0.750 63 E HN 0.132 nan 8.360 nan 0.000 0.448 64 A N 0.966 123.854 122.820 0.112 0.000 1.972 64 A HA -0.091 4.229 4.320 0.000 0.000 0.219 64 A C 2.356 180.002 177.584 0.103 0.000 1.169 64 A CA 1.714 53.813 52.037 0.103 0.000 0.635 64 A CB -0.716 18.354 19.000 0.118 0.000 0.810 64 A HN 0.438 nan 8.150 nan 0.000 0.446 65 A N -0.046 122.854 122.820 0.135 0.000 1.972 65 A HA -0.175 4.145 4.320 0.000 0.000 0.219 65 A C 1.762 179.342 177.584 -0.006 0.000 1.169 65 A CA 1.904 53.959 52.037 0.031 0.000 0.635 65 A CB -0.455 18.492 19.000 -0.088 0.000 0.810 65 A HN 0.477 nan 8.150 nan 0.000 0.446 66 D N -0.217 120.192 120.400 0.015 0.000 2.075 66 D HA -0.086 4.554 4.640 0.000 0.000 0.196 66 D C 1.921 178.224 176.300 0.005 0.000 0.985 66 D CA 1.381 55.380 54.000 -0.000 0.000 0.834 66 D CB -0.345 40.460 40.800 0.009 0.000 0.987 66 D HN 0.177 nan 8.370 nan 0.000 0.452 67 K N 0.498 120.909 120.400 0.019 0.000 2.059 67 K HA -0.111 4.209 4.320 0.000 0.000 0.212 67 K C 2.002 178.613 176.600 0.018 0.000 1.050 67 K CA 0.583 56.882 56.287 0.019 0.000 0.927 67 K CB -0.517 31.999 32.500 0.028 0.000 0.714 67 K HN 0.084 nan 8.250 nan 0.000 0.447 68 L N 0.009 121.245 121.223 0.023 0.000 2.046 68 L HA -0.105 4.235 4.340 0.000 0.000 0.208 68 L C 2.285 179.159 176.870 0.006 0.000 1.077 68 L CA 2.016 56.868 54.840 0.020 0.000 0.747 68 L CB -1.570 40.507 42.059 0.030 0.000 0.896 68 L HN 0.210 nan 8.230 nan 0.000 0.432 69 A N -0.050 122.765 122.820 -0.008 0.000 1.865 69 A HA -0.248 4.072 4.320 0.000 0.000 0.217 69 A C 2.017 179.591 177.584 -0.016 0.000 1.191 69 A CA 2.059 54.082 52.037 -0.023 0.000 0.623 69 A CB -0.635 18.338 19.000 -0.044 0.000 0.826 69 A HN 0.365 nan 8.150 nan 0.000 0.444 70 D N -0.872 119.520 120.400 -0.013 0.000 2.123 70 D HA -0.144 4.496 4.640 0.000 0.000 0.196 70 D C 1.934 178.236 176.300 0.003 0.000 0.992 70 D CA 1.701 55.695 54.000 -0.010 0.000 0.833 70 D CB -0.304 40.493 40.800 -0.006 0.000 0.954 70 D HN 0.595 nan 8.370 nan 0.000 0.455 71 E N 0.253 120.460 120.200 0.011 0.000 2.072 71 E HA -0.104 4.246 4.350 0.000 0.000 0.191 71 E C 2.050 178.663 176.600 0.022 0.000 0.985 71 E CA 0.564 56.976 56.400 0.019 0.000 0.801 71 E CB -0.084 29.629 29.700 0.022 0.000 0.750 71 E HN 0.032 nan 8.360 nan 0.000 0.452 72 V N 0.919 120.843 119.914 0.017 0.000 2.332 72 V HA -0.290 3.830 4.120 0.000 0.000 0.248 72 V C 2.368 178.478 176.094 0.027 0.000 1.055 72 V CA 1.831 64.145 62.300 0.023 0.000 1.038 72 V CB -1.053 30.782 31.823 0.020 0.000 0.651 72 V HN 0.442 nan 8.190 nan 0.000 0.450 73 A N -1.351 121.476 122.820 0.011 0.000 1.902 73 A HA -0.191 4.130 4.320 0.000 0.000 0.217 73 A C 1.728 179.332 177.584 0.034 0.000 1.181 73 A CA 1.393 53.432 52.037 0.004 0.000 0.623 73 A CB -0.847 18.137 19.000 -0.028 0.000 0.818 73 A HN 0.557 nan 8.150 nan 0.000 0.443 77 N N 1.086 119.915 118.700 0.215 0.000 2.354 77 N HA -0.012 4.728 4.740 0.000 0.000 0.179 77 N C 0.945 176.854 175.510 0.664 0.000 1.021 77 N CA 1.582 54.869 53.050 0.395 0.000 0.887 77 N CB -0.088 38.531 38.487 0.220 0.000 0.974 77 N HN 0.625 nan 8.380 nan 0.000 0.437 78 T N 2.692 117.488 114.554 0.403 0.000 2.780 78 T HA 0.213 4.563 4.350 0.000 0.000 0.294 78 T C -2.653 172.100 174.700 0.088 0.000 0.949 78 T CA -1.923 60.315 62.100 0.230 0.000 1.074 78 T CB 1.294 70.135 68.868 -0.046 0.000 0.910 78 T HN -0.046 nan 8.240 nan 0.000 0.501 79 P HA 0.101 nan 4.420 nan 0.000 0.263 79 P C 1.051 178.338 177.300 -0.023 0.000 1.168 79 P CA 1.186 64.270 63.100 -0.026 0.000 0.759 79 P CB 0.093 31.755 31.700 -0.063 0.000 0.782 80 G N 1.645 110.449 108.800 0.007 0.000 2.179 80 G HA2 -0.127 3.833 3.960 0.000 0.000 0.260 80 G HA3 -0.127 3.833 3.960 0.000 0.000 0.260 80 G C 0.694 175.610 174.900 0.026 0.000 0.977 80 G CA 0.388 45.494 45.100 0.010 0.000 0.641 80 G HN 0.997 nan 8.290 nan 0.000 0.533 81 G N -0.889 107.937 108.800 0.042 0.000 2.591 81 G HA2 0.402 4.362 3.960 0.000 0.000 0.278 81 G HA3 0.402 4.362 3.960 0.000 0.000 0.278 81 G C 1.149 176.071 174.900 0.036 0.000 1.293 81 G CA 1.131 46.265 45.100 0.056 0.000 0.930 81 G HN 2.560 nan 8.290 nan 0.000 0.562 82 G N -2.678 106.152 108.800 0.050 0.000 2.427 82 G HA2 0.862 4.822 3.960 0.000 0.000 0.306 82 G HA3 0.862 4.822 3.960 0.000 0.000 0.306 82 G C -0.741 174.194 174.900 0.058 0.000 1.280 82 G CA 0.782 45.905 45.100 0.038 0.000 0.837 82 G HN 2.380 nan 8.290 nan 0.000 0.482 83 A N -1.032 121.802 122.820 0.023 0.000 2.413 83 A HA 0.894 5.214 4.320 0.000 0.000 0.307 83 A C -1.398 176.137 177.584 -0.082 0.000 1.087 83 A CA -0.484 51.528 52.037 -0.042 0.000 0.750 83 A CB 1.789 20.763 19.000 -0.044 0.000 1.296 83 A HN 0.860 nan 8.150 nan 0.000 0.423 84 L N 0.971 122.116 121.223 -0.130 0.000 2.341 84 L HA 0.654 4.994 4.340 0.000 0.000 0.267 84 L C -0.603 176.224 176.870 -0.072 0.000 1.009 84 L CA -0.072 54.731 54.840 -0.063 0.000 0.819 84 L CB 1.926 43.965 42.059 -0.032 0.000 1.323 84 L HN 0.609 nan 8.230 nan 0.000 0.425 85 I N 2.374 122.966 120.570 0.036 0.000 2.476 85 I HA 0.313 4.483 4.170 0.000 0.000 0.281 85 I C -0.933 175.210 176.117 0.044 0.000 1.040 85 I CA -0.708 60.616 61.300 0.040 0.000 1.094 85 I CB 1.743 39.822 38.000 0.132 0.000 1.219 85 I HN 0.125 nan 8.210 nan 0.000 0.450 86 V N 5.213 125.132 119.914 0.008 0.000 2.461 86 V HA 0.588 4.708 4.120 0.000 0.000 0.275 86 V C 1.074 177.163 176.094 -0.009 0.000 1.047 86 V CA 0.424 62.731 62.300 0.012 0.000 0.955 86 V CB 0.797 32.631 31.823 0.020 0.000 0.988 86 V HN 1.116 nan 8.190 nan 0.000 0.471 87 G N 4.669 113.456 108.800 -0.022 0.000 2.227 87 G HA2 -0.135 3.825 3.960 0.000 0.000 0.168 87 G HA3 -0.135 3.825 3.960 0.000 0.000 0.168 87 G C -0.553 174.291 174.900 -0.093 0.000 1.006 87 G CA -0.500 44.574 45.100 -0.044 0.000 0.684 87 G HN 0.508 nan 8.290 nan 0.000 0.489 88 I N 1.465 121.956 120.570 -0.132 0.000 2.433 88 I HA 0.448 4.618 4.170 0.000 0.000 0.292 88 I C 0.314 176.323 176.117 -0.181 0.000 1.001 88 I CA -1.450 59.686 61.300 -0.273 0.000 1.119 88 I CB 1.895 39.512 38.000 -0.639 0.000 1.289 88 I HN 0.250 nan 8.210 nan 0.000 0.438 89 E N 3.667 123.774 120.200 -0.156 0.000 2.392 89 E HA 0.020 4.370 4.350 0.000 0.000 0.264 89 E C -0.696 175.908 176.600 0.007 0.000 1.024 89 E CA -0.358 56.008 56.400 -0.055 0.000 0.903 89 E CB 0.659 30.332 29.700 -0.045 0.000 0.963 89 E HN 0.554 nan 8.360 nan 0.000 0.432 90 D N 3.093 123.543 120.400 0.082 0.000 2.382 90 D HA 0.038 4.678 4.640 0.000 0.000 0.245 90 D C 0.102 176.486 176.300 0.140 0.000 1.120 90 D CA 0.564 54.662 54.000 0.163 0.000 0.890 90 D CB 0.505 41.372 40.800 0.110 0.000 1.201 90 D HN 0.639 nan 8.370 nan 0.000 0.433 91 K N 0.089 120.603 120.400 0.190 0.000 3.870 91 K HA -0.299 4.021 4.320 0.000 0.000 0.370 91 K C 1.548 178.220 176.600 0.120 0.000 0.607 91 K CA 1.942 58.304 56.287 0.127 0.000 1.617 91 K CB -1.708 30.833 32.500 0.069 0.000 1.221 91 K HN 0.682 nan 8.250 nan 0.000 0.485 92 T N -3.429 111.181 114.554 0.095 0.000 2.901 92 T HA 0.235 4.585 4.350 0.000 0.000 0.252 92 T C 1.554 176.282 174.700 0.045 0.000 1.035 92 T CA 1.539 63.670 62.100 0.053 0.000 1.142 92 T CB 0.432 69.309 68.868 0.016 0.000 0.869 92 T HN 0.845 nan 8.240 nan 0.000 0.442 93 G N 2.600 111.393 108.800 -0.011 0.000 2.157 93 G HA2 -0.251 3.709 3.960 0.000 0.000 0.239 93 G HA3 -0.251 3.709 3.960 0.000 0.000 0.239 93 G C 0.132 174.898 174.900 -0.223 0.000 0.982 93 G CA -0.055 44.929 45.100 -0.194 0.000 0.650 93 G HN 0.986 nan 8.290 nan 0.000 0.527 94 R N -0.148 120.271 120.500 -0.136 0.000 2.491 94 R HA 0.589 4.929 4.340 0.000 0.000 0.283 94 R C 0.056 176.271 176.300 -0.142 0.000 1.072 94 R CA -0.630 55.404 56.100 -0.109 0.000 1.048 94 R CB 0.861 31.124 30.300 -0.062 0.000 0.983 94 R HN 0.118 nan 8.270 nan 0.000 0.450 95 I N 3.291 123.789 120.570 -0.120 0.000 2.496 95 I HA -0.059 4.111 4.170 0.000 0.000 0.285 95 I C 1.079 177.149 176.117 -0.079 0.000 1.080 95 I CA 0.244 61.476 61.300 -0.114 0.000 1.404 95 I CB 0.771 38.718 38.000 -0.088 0.000 1.403 95 I HN 0.715 nan 8.210 nan 0.000 0.539 96 I N 3.145 123.669 120.570 -0.075 0.000 3.366 96 I HA 0.406 4.576 4.170 0.000 0.000 0.267 96 I C 1.024 177.117 176.117 -0.040 0.000 1.149 96 I CA 0.746 62.016 61.300 -0.050 0.000 1.436 96 I CB -0.847 37.126 38.000 -0.045 0.000 1.379 96 I HN 0.739 nan 8.210 nan 0.000 0.460 97 G N 1.276 110.051 108.800 -0.042 0.000 2.587 97 G HA2 -0.040 3.920 3.960 0.000 0.000 0.686 97 G HA3 -0.040 3.920 3.960 0.000 0.000 0.686 97 G C -0.601 174.287 174.900 -0.020 0.000 1.236 97 G CA -0.594 44.488 45.100 -0.030 0.000 0.820 97 G HN 0.147 nan 8.290 nan 0.000 0.645 98 T N 0.693 115.239 114.554 -0.013 0.000 2.993 98 T HA 0.610 4.960 4.350 0.000 0.000 0.312 98 T C 0.072 174.770 174.700 -0.004 0.000 1.115 98 T CA -0.653 61.445 62.100 -0.003 0.000 1.027 98 T CB 2.123 70.997 68.868 0.010 0.000 1.116 98 T HN 0.507 nan 8.240 nan 0.000 0.464 99 E N 1.344 121.537 120.200 -0.011 0.000 2.498 99 E HA 0.225 4.576 4.350 0.000 0.000 0.203 99 E C 0.614 177.198 176.600 -0.026 0.000 1.013 99 E CA -0.156 56.231 56.400 -0.021 0.000 0.927 99 E CB 0.375 30.053 29.700 -0.036 0.000 1.012 99 E HN 0.586 nan 8.360 nan 0.000 0.482 100 L N 1.977 123.197 121.223 -0.004 0.000 2.529 100 L HA -0.036 4.304 4.340 0.000 0.000 0.287 100 L C 0.925 177.825 176.870 0.050 0.000 1.241 100 L CA 0.631 55.482 54.840 0.018 0.000 0.857 100 L CB 0.186 42.320 42.059 0.125 0.000 1.113 100 L HN -0.021 nan 8.230 nan 0.000 0.504 101 D N 2.527 122.967 120.400 0.067 0.000 2.277 101 D HA 0.091 4.731 4.640 0.000 0.000 0.249 101 D C 1.149 177.569 176.300 0.199 0.000 1.134 101 D CA -0.626 53.437 54.000 0.105 0.000 0.863 101 D CB 1.228 42.069 40.800 0.068 0.000 1.143 101 D HN 0.298 nan 8.370 nan 0.000 0.458 102 I N 3.453 124.102 120.570 0.131 0.000 2.043 102 I HA -0.335 3.835 4.170 0.000 0.000 0.231 102 I C 1.788 177.985 176.117 0.134 0.000 1.024 102 I CA 1.415 62.786 61.300 0.118 0.000 1.309 102 I CB -0.975 37.072 38.000 0.079 0.000 1.030 102 I HN 0.539 nan 8.210 nan 0.000 0.389 103 D N -0.376 120.092 120.400 0.113 0.000 2.170 103 D HA -0.272 4.368 4.640 0.000 0.000 0.193 103 D C 1.836 178.222 176.300 0.143 0.000 1.004 103 D CA 1.556 55.614 54.000 0.097 0.000 0.860 103 D CB -0.473 40.377 40.800 0.084 0.000 0.931 103 D HN 0.591 nan 8.370 nan 0.000 0.448 104 W N 1.011 122.318 121.300 0.011 0.000 2.378 104 W HA -0.138 4.522 4.660 0.000 0.000 0.313 104 W C 2.180 178.714 176.519 0.024 0.000 1.197 104 W CA 0.837 58.192 57.345 0.016 0.000 1.304 104 W CB -0.649 28.820 29.460 0.014 0.000 1.148 104 W HN -0.011 nan 8.180 nan 0.000 0.494 105 L N 1.814 123.198 121.223 0.267 0.000 2.042 105 L HA -0.192 4.148 4.340 0.000 0.000 0.210 105 L C 2.559 179.352 176.870 -0.128 0.000 1.076 105 L CA 1.976 56.811 54.840 -0.008 0.000 0.749 105 L CB -0.992 41.198 42.059 0.219 0.000 0.893 105 L HN -0.052 nan 8.230 nan 0.000 0.432 106 R N -0.654 119.828 120.500 -0.030 0.000 2.082 106 R HA -0.231 4.109 4.340 0.000 0.000 0.234 106 R C 2.243 178.514 176.300 -0.048 0.000 1.136 106 R CA 1.901 57.986 56.100 -0.025 0.000 0.935 106 R CB -0.893 29.399 30.300 -0.013 0.000 0.842 106 R HN 0.462 nan 8.270 nan 0.000 0.430 107 Q N 0.248 119.993 119.800 -0.091 0.000 2.030 107 Q HA -0.119 4.221 4.340 0.000 0.000 0.204 107 Q C 2.041 177.972 176.000 -0.114 0.000 0.986 107 Q CA 2.282 58.047 55.803 -0.062 0.000 0.843 107 Q CB -0.972 27.712 28.738 -0.089 0.000 0.904 107 Q HN 0.408 nan 8.270 nan 0.000 0.420 108 G N 0.852 109.411 108.800 -0.402 0.000 2.574 108 G HA2 -0.294 3.666 3.960 0.000 0.000 0.220 108 G HA3 -0.294 3.666 3.960 0.000 0.000 0.220 108 G C 1.506 176.244 174.900 -0.270 0.000 1.173 108 G CA 1.393 46.179 45.100 -0.523 0.000 0.772 108 G HN 0.452 nan 8.290 nan 0.000 0.585 109 I N -0.498 119.961 120.570 -0.186 0.000 2.163 109 I HA -0.096 4.074 4.170 0.000 0.000 0.240 109 I C 2.441 178.539 176.117 -0.032 0.000 1.081 109 I CA 1.121 62.369 61.300 -0.087 0.000 1.353 109 I CB -0.400 37.579 38.000 -0.035 0.000 1.054 109 I HN 0.171 nan 8.210 nan 0.000 0.407 110 F N 2.025 121.904 119.950 -0.119 0.000 2.087 110 F HA -0.328 4.199 4.527 0.000 0.000 0.299 110 F C 2.540 178.282 175.800 -0.097 0.000 1.100 110 F CA 2.335 60.279 58.000 -0.092 0.000 1.226 110 F CB -0.737 38.212 39.000 -0.085 0.000 0.983 110 F HN -0.017 nan 8.300 nan 0.000 0.479 111 T N 1.427 115.914 114.554 -0.113 0.000 2.746 111 T HA -0.191 4.159 4.350 0.000 0.000 0.267 111 T C 1.667 176.226 174.700 -0.235 0.000 1.039 111 T CA 1.532 63.510 62.100 -0.203 0.000 1.142 111 T CB -0.352 68.462 68.868 -0.091 0.000 0.866 111 T HN 0.348 nan 8.240 nan 0.000 0.444 112 R N 0.950 121.342 120.500 -0.180 0.000 2.586 112 R HA 0.439 4.779 4.340 0.000 0.000 0.306 112 R C 0.834 177.044 176.300 -0.150 0.000 1.079 112 R CA 0.098 56.107 56.100 -0.151 0.000 1.083 112 R CB -0.378 29.855 30.300 -0.111 0.000 1.306 112 R HN 0.465 nan 8.270 nan 0.000 0.567 113 I N -0.630 119.819 120.570 -0.201 0.000 4.840 113 I HA 0.003 4.173 4.170 0.000 0.000 0.404 113 I C -1.212 174.782 176.117 -0.205 0.000 1.003 113 I CA 0.135 61.340 61.300 -0.160 0.000 1.471 113 I CB 0.765 38.706 38.000 -0.097 0.000 2.537 113 I HN 0.116 nan 8.210 nan 0.000 0.786 114 D N 1.172 121.345 120.400 -0.378 0.000 2.835 114 D HA -0.131 4.509 4.640 0.000 0.000 0.230 114 D C -0.554 175.632 176.300 -0.188 0.000 1.130 114 D CA 1.297 55.005 54.000 -0.487 0.000 0.738 114 D CB -0.583 40.042 40.800 -0.291 0.000 1.090 114 D HN 0.171 nan 8.370 nan 0.000 0.433 115 V N -0.856 119.052 119.914 -0.011 0.000 2.789 115 V HA 0.709 4.829 4.120 0.000 0.000 0.300 115 V C -1.462 174.805 176.094 0.289 0.000 1.184 115 V CA -0.036 62.381 62.300 0.195 0.000 0.930 115 V CB 1.996 33.867 31.823 0.079 0.000 1.041 115 V HN 0.277 nan 8.190 nan 0.000 0.430 116 A N 8.753 131.749 122.820 0.295 0.000 2.511 116 A HA 0.831 5.151 4.320 0.000 0.000 0.340 116 A C -2.346 175.285 177.584 0.077 0.000 1.396 116 A CA -1.412 50.711 52.037 0.143 0.000 0.887 116 A CB 0.331 19.311 19.000 -0.033 0.000 1.145 116 A HN 0.731 nan 8.150 nan 0.000 0.497 117 P HA 0.143 nan 4.420 nan 0.000 0.271 117 P C -0.906 176.445 177.300 0.084 0.000 1.216 117 P CA -0.133 63.017 63.100 0.082 0.000 0.776 117 P CB 0.914 32.660 31.700 0.077 0.000 0.881 118 D N 1.307 121.774 120.400 0.111 0.000 2.401 118 D HA 0.110 4.750 4.640 0.000 0.000 0.254 118 D C -0.142 176.267 176.300 0.180 0.000 1.192 118 D CA 0.357 54.434 54.000 0.128 0.000 0.885 118 D CB 1.203 42.079 40.800 0.127 0.000 1.147 118 D HN 0.065 nan 8.370 nan 0.000 0.478 119 V N 3.284 123.276 119.914 0.130 0.000 2.531 119 V HA 0.481 4.601 4.120 0.000 0.000 0.301 119 V C -0.593 175.572 176.094 0.117 0.000 1.034 119 V CA -0.596 61.770 62.300 0.110 0.000 0.865 119 V CB 1.827 33.688 31.823 0.063 0.000 0.995 119 V HN 0.341 nan 8.190 nan 0.000 0.424 120 V N 4.420 124.414 119.914 0.133 0.000 2.769 120 V HA 1.015 5.135 4.120 0.000 0.000 0.312 120 V C 0.193 176.334 176.094 0.078 0.000 1.061 120 V CA -0.351 62.022 62.300 0.121 0.000 0.931 120 V CB 1.474 33.404 31.823 0.178 0.000 1.010 120 V HN 1.443 nan 8.190 nan 0.000 0.433 121 A N 3.526 126.384 122.820 0.062 0.000 2.327 121 A HA 0.852 5.172 4.320 0.000 0.000 0.283 121 A C -0.025 177.585 177.584 0.044 0.000 1.127 121 A CA -0.507 51.556 52.037 0.044 0.000 0.810 121 A CB 0.637 19.659 19.000 0.036 0.000 1.066 121 A HN 0.849 nan 8.150 nan 0.000 0.492 122 K N 0.795 121.214 120.400 0.031 0.000 2.512 122 K HA 0.525 4.845 4.320 0.000 0.000 0.263 122 K C -1.183 175.426 176.600 0.015 0.000 0.966 122 K CA -0.610 55.695 56.287 0.030 0.000 0.851 122 K CB 2.376 34.899 32.500 0.037 0.000 1.395 122 K HN 0.767 nan 8.250 nan 0.000 0.440 123 R N 0.897 121.405 120.500 0.013 0.000 2.476 123 R HA 0.314 4.654 4.340 0.000 0.000 0.305 123 R C 0.885 177.186 176.300 0.001 0.000 0.965 123 R CA -0.460 55.642 56.100 0.004 0.000 0.867 123 R CB 1.418 31.721 30.300 0.004 0.000 1.176 123 R HN 0.477 nan 8.270 nan 0.000 0.447 124 V N 1.203 121.112 119.914 -0.009 0.000 2.865 124 V HA 0.219 4.339 4.120 0.000 0.000 0.163 124 V C 0.877 176.964 176.094 -0.012 0.000 1.150 124 V CA -0.094 62.198 62.300 -0.012 0.000 1.413 124 V CB -0.129 31.677 31.823 -0.029 0.000 1.014 124 V HN 0.466 nan 8.190 nan 0.000 0.453 125 L N 1.989 123.201 121.223 -0.018 0.000 2.919 125 L HA 0.421 4.761 4.340 0.000 0.000 0.242 125 L C 1.542 178.404 176.870 -0.014 0.000 1.366 125 L CA 1.226 56.057 54.840 -0.015 0.000 1.212 125 L CB -1.307 40.741 42.059 -0.018 0.000 1.604 125 L HN 1.115 nan 8.230 nan 0.000 0.433 126 G N -1.138 107.655 108.800 -0.011 0.000 2.213 126 G HA2 -0.221 3.739 3.960 0.000 0.000 0.236 126 G HA3 -0.221 3.739 3.960 0.000 0.000 0.236 126 G C 0.542 175.435 174.900 -0.012 0.000 0.991 126 G CA -0.377 44.718 45.100 -0.009 0.000 0.629 126 G HN 0.392 nan 8.290 nan 0.000 0.517 127 Q N 0.268 120.057 119.800 -0.017 0.000 2.306 127 Q HA 0.473 4.813 4.340 0.000 0.000 0.241 127 Q C 0.458 176.448 176.000 -0.017 0.000 0.948 127 Q CA -0.392 55.399 55.803 -0.020 0.000 0.886 127 Q CB 1.301 30.022 28.738 -0.030 0.000 1.227 127 Q HN 0.553 nan 8.270 nan 0.000 0.457 128 R N 0.988 121.479 120.500 -0.015 0.000 2.265 128 R HA 0.465 4.805 4.340 0.000 0.000 0.319 128 R C -0.807 175.486 176.300 -0.012 0.000 1.006 128 R CA -0.371 55.724 56.100 -0.008 0.000 0.880 128 R CB 0.588 30.886 30.300 -0.004 0.000 1.077 128 R HN 0.441 nan 8.270 nan 0.000 0.454 129 V N 2.504 122.413 119.914 -0.009 0.000 2.789 129 V HA 0.515 4.635 4.120 0.000 0.000 0.311 129 V C -1.058 175.035 176.094 -0.003 0.000 1.073 129 V CA -1.252 61.040 62.300 -0.013 0.000 0.921 129 V CB 1.994 33.799 31.823 -0.030 0.000 1.009 129 V HN 0.480 nan 8.190 nan 0.000 0.426 130 L N 3.805 125.027 121.223 -0.002 0.000 2.264 130 L HA 0.724 5.064 4.340 0.000 0.000 0.289 130 L C 0.668 177.513 176.870 -0.041 0.000 1.044 130 L CA -0.230 54.610 54.840 -0.001 0.000 0.807 130 L CB 1.063 43.133 42.059 0.019 0.000 1.192 130 L HN 1.044 nan 8.230 nan 0.000 0.425 131 A N 6.443 129.219 122.820 -0.074 0.000 2.316 131 A HA 0.584 4.904 4.320 0.000 0.000 0.311 131 A C 0.093 177.466 177.584 -0.351 0.000 1.339 131 A CA -0.383 51.509 52.037 -0.243 0.000 0.960 131 A CB -0.300 18.540 19.000 -0.267 0.000 1.152 131 A HN 0.648 nan 8.150 nan 0.000 0.547 132 I N 2.718 123.111 120.570 -0.296 0.000 2.325 132 I HA 0.250 4.420 4.170 0.000 0.000 0.291 132 I C -0.988 174.963 176.117 -0.277 0.000 1.019 132 I CA -0.370 60.819 61.300 -0.185 0.000 1.302 132 I CB 0.628 38.591 38.000 -0.062 0.000 1.401 132 I HN 0.554 nan 8.210 nan 0.000 0.485 133 Y N 5.508 125.829 120.300 0.035 0.000 2.331 133 Y HA 0.535 5.085 4.550 -0.000 0.000 0.338 133 Y C 0.003 175.922 175.900 0.032 0.000 0.976 133 Y CA -0.774 57.345 58.100 0.031 0.000 1.137 133 Y CB 1.848 40.324 38.460 0.027 0.000 1.172 133 Y HN 0.314 nan 8.280 nan 0.000 0.478 134 V N 3.344 123.359 119.914 0.170 0.000 2.656 134 V HA 0.920 5.040 4.120 0.000 0.000 0.307 134 V C -0.698 175.461 176.094 0.109 0.000 1.051 134 V CA -0.666 61.705 62.300 0.119 0.000 0.893 134 V CB 1.344 33.217 31.823 0.083 0.000 0.999 134 V HN 0.881 nan 8.190 nan 0.000 0.426 135 A N 5.221 128.099 122.820 0.097 0.000 2.282 135 A HA 0.908 5.228 4.320 0.000 0.000 0.319 135 A C 0.499 178.138 177.584 0.092 0.000 1.121 135 A CA -0.108 51.980 52.037 0.085 0.000 0.836 135 A CB 1.134 20.179 19.000 0.074 0.000 1.146 135 A HN 2.094 nan 8.150 nan 0.000 0.494 136 A N 0.771 123.645 122.820 0.090 0.000 2.548 136 A HA 0.496 4.816 4.320 0.000 0.000 0.247 136 A C 0.839 178.503 177.584 0.134 0.000 1.067 136 A CA 0.414 52.520 52.037 0.114 0.000 0.757 136 A CB -0.659 18.394 19.000 0.089 0.000 0.996 136 A HN 2.062 nan 8.150 nan 0.000 0.504 137 A N 2.189 125.113 122.820 0.174 0.000 2.407 137 A HA 0.530 4.850 4.320 0.000 0.000 0.248 137 A C 1.359 179.074 177.584 0.220 0.000 1.082 137 A CA 0.190 52.327 52.037 0.166 0.000 0.785 137 A CB 0.118 19.192 19.000 0.123 0.000 1.020 137 A HN 2.005 nan 8.150 nan 0.000 0.489 138 A N 1.055 123.987 122.820 0.187 0.000 2.235 138 A HA 0.346 4.666 4.320 0.000 0.000 0.208 138 A C 0.570 178.350 177.584 0.327 0.000 1.172 138 A CA 1.155 53.327 52.037 0.224 0.000 0.786 138 A CB -0.632 18.477 19.000 0.181 0.000 0.804 138 A HN 0.981 nan 8.150 nan 0.000 0.479 139 E N -1.582 118.780 120.200 0.271 0.000 2.396 139 E HA 0.364 4.714 4.350 0.000 0.000 0.280 139 E C -3.284 173.079 176.600 -0.396 0.000 1.065 139 E CA -2.302 54.176 56.400 0.129 0.000 0.831 139 E CB 0.710 30.574 29.700 0.273 0.000 1.272 139 E HN -0.048 nan 8.360 nan 0.000 0.443 140 P HA 0.038 nan 4.420 nan 0.000 0.264 140 P C -0.337 176.669 177.300 -0.489 0.000 1.183 140 P CA 0.020 62.406 63.100 -1.190 0.000 0.763 140 P CB 0.352 31.310 31.700 -1.236 0.000 0.807 141 I N 3.242 123.590 120.570 -0.371 0.000 2.330 141 I HA 0.233 4.403 4.170 0.000 0.000 0.286 141 I C 1.067 177.076 176.117 -0.181 0.000 1.025 141 I CA -0.641 60.542 61.300 -0.195 0.000 1.197 141 I CB 0.140 38.076 38.000 -0.106 0.000 1.358 141 I HN 0.301 nan 8.210 nan 0.000 0.467 142 E N 4.872 124.979 120.200 -0.155 0.000 2.354 142 E HA 0.110 4.460 4.350 0.000 0.000 0.269 142 E C -0.215 176.324 176.600 -0.101 0.000 1.036 142 E CA -0.466 55.857 56.400 -0.129 0.000 0.876 142 E CB 1.451 31.086 29.700 -0.108 0.000 1.009 142 E HN 0.521 nan 8.360 nan 0.000 0.416 143 D N 0.883 121.232 120.400 -0.085 0.000 2.469 143 D HA -0.057 4.583 4.640 0.000 0.000 0.278 143 D C 0.992 177.254 176.300 -0.063 0.000 1.231 143 D CA -0.250 53.710 54.000 -0.066 0.000 1.075 143 D CB -0.090 40.680 40.800 -0.050 0.000 1.121 143 D HN 0.396 nan 8.370 nan 0.000 0.571 144 T N -3.424 111.099 114.554 -0.052 0.000 3.227 144 T HA 0.067 4.417 4.350 0.000 0.000 0.257 144 T C 0.755 175.431 174.700 -0.040 0.000 1.162 144 T CA 0.054 62.126 62.100 -0.048 0.000 1.051 144 T CB -0.467 68.378 68.868 -0.039 0.000 0.953 144 T HN 0.227 nan 8.240 nan 0.000 0.535 145 S N 0.856 116.532 115.700 -0.041 0.000 2.952 145 S HA 0.250 4.720 4.470 0.000 0.000 0.251 145 S C -0.243 174.332 174.600 -0.042 0.000 1.021 145 S CA -0.514 57.664 58.200 -0.036 0.000 1.067 145 S CB 0.159 63.342 63.200 -0.029 0.000 1.002 145 S HN 0.402 nan 8.310 nan 0.000 0.574 146 D N 2.737 123.107 120.400 -0.051 0.000 2.811 146 D HA -0.175 4.465 4.640 0.000 0.000 0.231 146 D C 0.184 176.448 176.300 -0.060 0.000 1.157 146 D CA 1.109 55.076 54.000 -0.055 0.000 0.716 146 D CB -0.740 40.033 40.800 -0.045 0.000 1.077 146 D HN 0.683 nan 8.370 nan 0.000 0.428 147 R N -0.270 120.191 120.500 -0.065 0.000 2.494 147 R HA 0.620 4.960 4.340 0.000 0.000 0.305 147 R C -0.266 175.976 176.300 -0.098 0.000 0.959 147 R CA -1.233 54.824 56.100 -0.072 0.000 0.864 147 R CB 1.358 31.626 30.300 -0.052 0.000 1.159 147 R HN 0.090 nan 8.270 nan 0.000 0.446 148 L N 0.859 122.001 121.223 -0.136 0.000 2.287 148 L HA 0.644 4.984 4.340 0.000 0.000 0.287 148 L C -0.501 176.250 176.870 -0.198 0.000 1.022 148 L CA -0.493 54.229 54.840 -0.197 0.000 0.814 148 L CB 1.369 43.244 42.059 -0.306 0.000 1.217 148 L HN 0.793 nan 8.230 nan 0.000 0.420 149 R N 2.384 122.805 120.500 -0.132 0.000 2.836 149 R HA 0.772 5.112 4.340 0.000 0.000 0.269 149 R C -1.829 174.536 176.300 0.109 0.000 1.010 149 R CA -0.617 55.440 56.100 -0.071 0.000 0.930 149 R CB 1.504 31.806 30.300 0.003 0.000 1.218 149 R HN 0.813 nan 8.270 nan 0.000 0.473 150 W N -0.439 120.866 121.300 0.008 0.000 3.029 150 W HA 0.608 5.268 4.660 0.000 0.000 0.339 150 W C -0.651 175.864 176.519 -0.006 0.000 1.198 150 W CA -1.679 55.678 57.345 0.020 0.000 1.148 150 W CB 0.143 29.642 29.460 0.065 0.000 1.451 150 W HN 0.323 nan 8.180 nan 0.000 0.564 151 R N 1.098 121.674 120.500 0.127 0.000 2.590 151 R HA 0.375 4.715 4.340 0.000 0.000 0.274 151 R C 0.132 176.321 176.300 -0.186 0.000 1.061 151 R CA 0.019 56.104 56.100 -0.026 0.000 1.081 151 R CB 1.107 31.376 30.300 -0.051 0.000 0.984 151 R HN 0.650 nan 8.270 nan 0.000 0.448 152 V N 1.402 121.249 119.914 -0.113 0.000 4.775 152 V HA 0.217 4.337 4.120 0.000 0.000 0.152 152 V C 1.433 177.465 176.094 -0.104 0.000 1.073 152 V CA 0.852 63.061 62.300 -0.151 0.000 1.342 152 V CB -0.587 31.189 31.823 -0.077 0.000 1.910 152 V HN 0.847 nan 8.190 nan 0.000 0.522 153 G N -0.136 108.629 108.800 -0.059 0.000 3.078 153 G HA2 -0.083 3.877 3.960 0.000 0.000 0.163 153 G HA3 -0.083 3.877 3.960 0.000 0.000 0.163 153 G C 0.674 175.540 174.900 -0.056 0.000 1.894 153 G CA 1.178 46.246 45.100 -0.053 0.000 0.951 153 G HN 0.510 nan 8.290 nan 0.000 0.446 154 D N -1.389 118.987 120.400 -0.040 0.000 2.389 154 D HA 0.196 4.836 4.640 0.000 0.000 0.206 154 D C 0.779 177.067 176.300 -0.020 0.000 1.055 154 D CA 0.044 54.018 54.000 -0.043 0.000 0.856 154 D CB 0.405 41.185 40.800 -0.033 0.000 0.957 154 D HN 0.182 nan 8.370 nan 0.000 0.509 155 S N -0.621 115.074 115.700 -0.008 0.000 2.607 155 S HA 0.567 5.037 4.470 0.000 0.000 0.303 155 S C -0.457 174.155 174.600 0.020 0.000 1.086 155 S CA -0.886 57.320 58.200 0.010 0.000 0.995 155 S CB 1.534 64.743 63.200 0.015 0.000 1.084 155 S HN 0.395 nan 8.310 nan 0.000 0.507 156 c N 1.341 119.966 118.600 0.041 0.000 2.382 156 c HA 0.801 5.371 4.570 0.000 0.000 0.327 156 c C -0.006 174.143 174.090 0.099 0.000 1.250 156 c CA -1.237 55.140 56.329 0.081 0.000 1.707 156 c CB -0.009 42.559 42.510 0.098 0.000 2.272 156 c HN 0.872 nan 8.230 nan 0.000 0.506 157 R N 2.286 122.881 120.500 0.158 0.000 2.758 157 R HA 0.703 5.043 4.340 0.000 0.000 0.265 157 R C -2.636 173.737 176.300 0.122 0.000 1.016 157 R CA -1.528 54.652 56.100 0.133 0.000 1.040 157 R CB 1.285 31.670 30.300 0.141 0.000 1.152 157 R HN 0.591 nan 8.270 nan 0.000 0.503 158 P HA 0.106 nan 4.420 nan 0.000 0.279 158 P C -0.794 176.422 177.300 -0.141 0.000 1.239 158 P CA -0.246 62.818 63.100 -0.059 0.000 0.789 158 P CB 1.276 32.951 31.700 -0.041 0.000 0.933 159 V N -0.624 119.113 119.914 -0.295 0.000 3.040 159 V HA 0.560 4.680 4.120 0.000 0.000 0.312 159 V C -0.559 175.381 176.094 -0.257 0.000 1.115 159 V CA -1.362 60.707 62.300 -0.385 0.000 0.998 159 V CB 1.759 33.027 31.823 -0.925 0.000 1.042 159 V HN 0.568 nan 8.190 nan 0.000 0.433 160 D N 0.815 121.121 120.400 -0.156 0.000 2.193 160 D HA 0.451 5.091 4.640 0.000 0.000 0.249 160 D C 0.809 177.113 176.300 0.006 0.000 1.034 160 D CA -0.805 53.161 54.000 -0.057 0.000 0.902 160 D CB 1.491 42.290 40.800 -0.001 0.000 1.182 160 D HN 0.456 nan 8.370 nan 0.000 0.436 161 R N 1.547 122.087 120.500 0.067 0.000 2.154 161 R HA -0.222 4.118 4.340 0.000 0.000 0.248 161 R C 2.019 178.525 176.300 0.344 0.000 1.155 161 R CA 1.509 57.749 56.100 0.233 0.000 0.979 161 R CB -0.487 29.991 30.300 0.296 0.000 0.869 161 R HN 0.672 nan 8.270 nan 0.000 0.452 162 A N 0.887 123.833 122.820 0.210 0.000 1.865 162 A HA -0.245 4.075 4.320 0.000 0.000 0.217 162 A C 2.037 179.751 177.584 0.217 0.000 1.191 162 A CA 1.618 53.771 52.037 0.193 0.000 0.623 162 A CB -0.410 18.658 19.000 0.113 0.000 0.826 162 A HN 0.384 nan 8.150 nan 0.000 0.444 163 E N -2.058 118.247 120.200 0.175 0.000 2.112 163 E HA -0.167 4.183 4.350 0.000 0.000 0.190 163 E C 1.813 178.556 176.600 0.238 0.000 0.979 163 E CA 0.671 57.205 56.400 0.224 0.000 0.814 163 E CB -0.208 29.592 29.700 0.167 0.000 0.762 163 E HN 0.758 nan 8.360 nan 0.000 0.460 164 W N 0.358 121.590 121.300 -0.114 0.000 2.335 164 W HA -0.217 4.443 4.660 0.000 0.000 0.311 164 W C 1.571 178.033 176.519 -0.095 0.000 1.213 164 W CA 1.860 59.059 57.345 -0.244 0.000 1.274 164 W CB -0.633 28.548 29.460 -0.465 0.000 1.148 164 W HN 0.155 nan 8.180 nan 0.000 0.498 165 W N 0.815 122.266 121.300 0.252 0.000 2.378 165 W HA -0.167 4.493 4.660 0.000 0.000 0.313 165 W C 2.631 179.143 176.519 -0.011 0.000 1.197 165 W CA 2.060 59.471 57.345 0.109 0.000 1.304 165 W CB -0.943 28.636 29.460 0.198 0.000 1.148 165 W HN 0.081 nan 8.180 nan 0.000 0.494 166 E N -1.466 118.888 120.200 0.257 0.000 2.331 166 E HA -0.270 4.080 4.350 0.000 0.000 0.199 166 E C 1.592 178.161 176.600 -0.052 0.000 1.008 166 E CA 1.331 57.793 56.400 0.103 0.000 0.843 166 E CB -0.863 28.881 29.700 0.073 0.000 0.761 166 E HN 0.378 nan 8.360 nan 0.000 0.507 167 Y N 1.304 121.581 120.300 -0.040 0.000 2.301 167 Y HA -0.098 4.452 4.550 0.000 0.000 0.295 167 Y C 2.628 178.401 175.900 -0.213 0.000 1.119 167 Y CA 1.474 59.523 58.100 -0.086 0.000 1.162 167 Y CB 0.041 38.504 38.460 0.005 0.000 1.046 167 Y HN 0.164 nan 8.280 nan 0.000 0.538 168 Q N 0.692 120.305 119.800 -0.311 0.000 2.119 168 Q HA -0.159 4.181 4.340 0.000 0.000 0.201 168 Q C 1.845 177.786 176.000 -0.099 0.000 0.972 168 Q CA 1.759 57.320 55.803 -0.403 0.000 0.847 168 Q CB -0.416 27.758 28.738 -0.939 0.000 0.903 168 Q HN 0.264 nan 8.270 nan 0.000 0.433 169 R N 0.240 120.749 120.500 0.016 0.000 2.105 169 R HA -0.070 4.270 4.340 0.000 0.000 0.239 169 R C 2.324 178.651 176.300 0.044 0.000 1.135 169 R CA 1.459 57.614 56.100 0.093 0.000 0.967 169 R CB -0.548 29.826 30.300 0.123 0.000 0.861 169 R HN 0.469 nan 8.270 nan 0.000 0.442 170 A N 1.311 124.116 122.820 -0.026 0.000 1.874 170 A HA -0.124 4.196 4.320 0.000 0.000 0.214 170 A C 1.404 178.973 177.584 -0.024 0.000 1.189 170 A CA 0.883 52.891 52.037 -0.049 0.000 0.615 170 A CB -0.001 18.911 19.000 -0.146 0.000 0.830 170 A HN 0.436 nan 8.150 nan 0.000 0.443 171 Q N -0.828 118.959 119.800 -0.022 0.000 2.233 171 Q HA 0.615 4.955 4.340 0.000 0.000 0.340 171 Q C -0.698 175.302 176.000 -0.001 0.000 0.899 171 Q CA -0.266 55.535 55.803 -0.003 0.000 1.139 171 Q CB 0.587 29.330 28.738 0.008 0.000 1.273 171 Q HN 0.228 nan 8.270 nan 0.000 0.431 172 S N -0.554 115.152 115.700 0.010 0.000 2.776 172 S HA 0.720 5.190 4.470 0.000 0.000 0.292 172 S C -0.281 174.362 174.600 0.072 0.000 1.187 172 S CA -0.464 57.749 58.200 0.021 0.000 0.834 172 S CB 1.313 64.496 63.200 -0.028 0.000 1.199 172 S HN 0.530 nan 8.310 nan 0.000 0.514 173 G N 0.654 109.506 108.800 0.087 0.000 2.380 173 G HA2 0.362 4.322 3.960 0.000 0.000 0.242 173 G HA3 0.362 4.322 3.960 0.000 0.000 0.242 173 G C -0.505 174.501 174.900 0.177 0.000 1.298 173 G CA -0.016 45.163 45.100 0.131 0.000 0.878 173 G HN 0.456 nan 8.290 nan 0.000 0.542 174 F N 1.867 121.862 119.950 0.076 0.000 2.578 174 F HA 0.188 4.715 4.527 0.000 0.000 0.381 174 F C -0.261 175.613 175.800 0.124 0.000 1.069 174 F CA -0.429 57.623 58.000 0.088 0.000 1.231 174 F CB 0.770 39.809 39.000 0.065 0.000 1.086 174 F HN 0.250 nan 8.300 nan 0.000 0.564 175 D N 8.922 128.960 120.400 -0.602 0.000 2.441 175 D HA 0.275 4.915 4.640 0.000 0.000 0.231 175 D C -2.193 173.553 176.300 -0.924 0.000 1.073 175 D CA -1.378 52.346 54.000 -0.459 0.000 0.850 175 D CB 1.071 41.863 40.800 -0.015 0.000 1.062 175 D HN 0.278 nan 8.370 nan 0.000 0.524 179 Q N 0.713 120.450 119.800 -0.105 0.000 2.539 179 Q HA 0.329 4.669 4.340 0.000 0.000 0.268 179 Q C -0.382 175.617 176.000 -0.002 0.000 1.109 179 Q CA 0.567 56.389 55.803 0.031 0.000 0.968 179 Q CB 0.572 29.390 28.738 0.133 0.000 1.309 179 Q HN 0.328 nan 8.270 nan 0.000 0.497 180 V N 2.389 122.313 119.914 0.016 0.000 2.644 180 V HA 0.326 4.446 4.120 0.000 0.000 0.295 180 V C 0.615 176.679 176.094 -0.050 0.000 1.053 180 V CA 0.037 62.325 62.300 -0.020 0.000 0.987 180 V CB 1.220 33.016 31.823 -0.046 0.000 1.006 180 V HN 1.060 nan 8.190 nan 0.000 0.472 181 T N -0.460 114.072 114.554 -0.037 0.000 2.768 181 T HA 0.349 4.699 4.350 0.000 0.000 0.268 181 T C 0.720 175.393 174.700 -0.045 0.000 0.969 181 T CA 0.268 62.345 62.100 -0.039 0.000 1.008 181 T CB 1.632 70.496 68.868 -0.006 0.000 1.371 181 T HN 0.719 nan 8.240 nan 0.000 0.587 182 T N -1.998 112.567 114.554 0.020 0.000 3.092 182 T HA 0.539 4.889 4.350 0.000 0.000 0.258 182 T C 0.740 175.598 174.700 0.263 0.000 1.031 182 T CA -0.059 62.113 62.100 0.120 0.000 0.925 182 T CB -0.441 68.453 68.868 0.043 0.000 1.036 182 T HN 0.936 nan 8.240 nan 0.000 0.544 183 A N 2.591 125.519 122.820 0.179 0.000 2.404 183 A HA 0.566 4.886 4.320 0.000 0.000 0.273 183 A C 0.994 178.628 177.584 0.083 0.000 1.144 183 A CA -0.340 51.758 52.037 0.102 0.000 0.806 183 A CB -0.072 18.954 19.000 0.043 0.000 1.080 183 A HN 0.603 nan 8.150 nan 0.000 0.509 184 T N 0.555 115.105 114.554 -0.007 0.000 2.891 184 T HA 0.341 4.691 4.350 0.000 0.000 0.294 184 T C 1.212 175.840 174.700 -0.120 0.000 1.065 184 T CA 0.125 62.143 62.100 -0.136 0.000 0.936 184 T CB 0.098 68.845 68.868 -0.201 0.000 1.415 184 T HN 0.719 nan 8.240 nan 0.000 0.572 185 L N 0.800 121.929 121.223 -0.157 0.000 2.141 185 L HA 0.251 4.591 4.340 0.000 0.000 0.209 185 L C 2.463 179.265 176.870 -0.113 0.000 1.094 185 L CA 2.326 57.078 54.840 -0.145 0.000 0.763 185 L CB -1.232 40.736 42.059 -0.152 0.000 0.908 185 L HN 0.895 nan 8.230 nan 0.000 0.437 186 G N -1.413 107.330 108.800 -0.095 0.000 2.534 186 G HA2 -0.192 3.768 3.960 0.000 0.000 0.217 186 G HA3 -0.192 3.768 3.960 0.000 0.000 0.217 186 G C 1.084 175.953 174.900 -0.052 0.000 1.128 186 G CA 0.631 45.690 45.100 -0.070 0.000 0.784 186 G HN 0.422 nan 8.290 nan 0.000 0.542 187 D N 0.806 121.178 120.400 -0.047 0.000 2.363 187 D HA 0.137 4.777 4.640 0.000 0.000 0.220 187 D C 1.479 177.770 176.300 -0.014 0.000 0.994 187 D CA 0.348 54.334 54.000 -0.025 0.000 0.890 187 D CB 0.150 40.942 40.800 -0.013 0.000 0.906 187 D HN 0.286 nan 8.370 nan 0.000 0.530 188 A N 1.361 124.162 122.820 -0.033 0.000 2.404 188 A HA 0.240 4.560 4.320 0.000 0.000 0.273 188 A C 0.401 177.989 177.584 0.006 0.000 1.144 188 A CA -0.379 51.653 52.037 -0.008 0.000 0.806 188 A CB 0.182 19.117 19.000 -0.108 0.000 1.080 188 A HN -0.004 nan 8.150 nan 0.000 0.509 189 R N 4.647 125.177 120.500 0.049 0.000 2.401 189 R HA 0.143 4.483 4.340 0.000 0.000 0.299 189 R C -1.611 174.710 176.300 0.034 0.000 1.064 189 R CA -1.318 54.799 56.100 0.029 0.000 1.000 189 R CB 0.588 30.904 30.300 0.026 0.000 0.973 189 R HN 0.593 nan 8.270 nan 0.000 0.438 190 P HA -0.267 nan 4.420 nan 0.000 0.216 190 P C 1.016 178.315 177.300 -0.001 0.000 1.150 190 P CA 1.622 64.716 63.100 -0.009 0.000 0.843 190 P CB 0.199 31.886 31.700 -0.023 0.000 0.787 191 A N 0.894 123.713 122.820 -0.002 0.000 1.892 191 A HA -0.153 4.167 4.320 0.000 0.000 0.218 191 A C 2.587 180.169 177.584 -0.004 0.000 1.188 191 A CA 2.653 54.682 52.037 -0.013 0.000 0.631 191 A CB -1.615 17.376 19.000 -0.015 0.000 0.822 191 A HN 0.269 nan 8.150 nan 0.000 0.447 192 A N -0.334 122.515 122.820 0.047 0.000 1.865 192 A HA -0.084 4.236 4.320 0.000 0.000 0.217 192 A C 2.193 179.879 177.584 0.170 0.000 1.191 192 A CA 1.595 53.686 52.037 0.091 0.000 0.623 192 A CB -0.732 18.366 19.000 0.162 0.000 0.826 192 A HN 0.489 nan 8.150 nan 0.000 0.444 193 L N -0.714 120.626 121.223 0.196 0.000 2.043 193 L HA -0.262 4.078 4.340 0.000 0.000 0.212 193 L C 3.112 179.996 176.870 0.022 0.000 1.075 193 L CA 1.164 56.070 54.840 0.109 0.000 0.752 193 L CB -0.614 41.434 42.059 -0.019 0.000 0.891 193 L HN 0.468 nan 8.230 nan 0.000 0.432 194 A N 0.192 122.995 122.820 -0.028 0.000 1.883 194 A HA -0.193 4.127 4.320 0.000 0.000 0.217 194 A C 2.245 179.717 177.584 -0.188 0.000 1.186 194 A CA 1.635 53.621 52.037 -0.085 0.000 0.624 194 A CB -0.768 18.181 19.000 -0.085 0.000 0.822 194 A HN 0.372 nan 8.150 nan 0.000 0.444 195 L N -0.840 120.219 121.223 -0.274 0.000 2.083 195 L HA -0.187 4.153 4.340 0.000 0.000 0.209 195 L C 3.084 179.561 176.870 -0.654 0.000 1.083 195 L CA 0.972 55.387 54.840 -0.707 0.000 0.752 195 L CB -0.589 41.032 42.059 -0.731 0.000 0.899 195 L HN 0.444 nan 8.230 nan 0.000 0.433 196 A N 0.361 123.115 122.820 -0.110 0.000 1.940 196 A HA -0.217 4.103 4.320 0.000 0.000 0.219 196 A C 2.363 180.082 177.584 0.226 0.000 1.176 196 A CA 1.637 53.791 52.037 0.194 0.000 0.631 196 A CB -0.447 18.723 19.000 0.283 0.000 0.814 196 A HN 0.379 nan 8.150 nan 0.000 0.446 197 R N -0.908 119.641 120.500 0.082 0.000 2.200 197 R HA 0.026 4.366 4.340 0.000 0.000 0.208 197 R C 2.195 178.499 176.300 0.007 0.000 1.033 197 R CA 1.162 57.332 56.100 0.117 0.000 1.000 197 R CB -0.134 30.197 30.300 0.052 0.000 0.906 197 R HN 0.583 nan 8.270 nan 0.000 0.462 198 K N 0.213 120.510 120.400 -0.172 0.000 2.062 198 K HA -0.104 4.216 4.320 0.000 0.000 0.205 198 K C 1.252 177.794 176.600 -0.097 0.000 1.051 198 K CA 0.979 57.121 56.287 -0.240 0.000 0.941 198 K CB 0.144 32.342 32.500 -0.503 0.000 0.719 198 K HN 0.174 nan 8.250 nan 0.000 0.440 199 W N 1.079 122.422 121.300 0.072 0.000 2.678 199 W HA 0.057 4.717 4.660 0.000 0.000 0.256 199 W C 0.285 176.825 176.519 0.036 0.000 1.280 199 W CA 0.196 57.576 57.345 0.058 0.000 1.345 199 W CB -0.012 29.492 29.460 0.073 0.000 1.118 199 W HN 0.093 nan 8.180 nan 0.000 0.629 200 D N -0.029 120.501 120.400 0.215 0.000 2.330 200 D HA 0.103 4.744 4.640 0.000 0.000 0.249 200 D C -1.738 174.492 176.300 -0.117 0.000 1.306 200 D CA -1.541 52.460 54.000 0.001 0.000 0.956 200 D CB 1.809 42.556 40.800 -0.088 0.000 1.261 200 D HN -0.191 nan 8.370 nan 0.000 0.544 201 P HA -0.117 nan 4.420 nan 0.000 0.226 201 P C 1.217 178.431 177.300 -0.143 0.000 1.146 201 P CA 0.436 63.490 63.100 -0.076 0.000 0.773 201 P CB 0.356 32.027 31.700 -0.049 0.000 0.772 202 A N 0.219 122.855 122.820 -0.308 0.000 1.908 202 A HA -0.181 4.139 4.320 0.000 0.000 0.218 202 A C 1.693 179.123 177.584 -0.257 0.000 1.181 202 A CA 1.392 53.218 52.037 -0.351 0.000 0.627 202 A CB -1.749 16.930 19.000 -0.536 0.000 0.818 202 A HN 0.118 nan 8.150 nan 0.000 0.445 203 F N 0.193 120.150 119.950 0.011 0.000 2.771 203 F HA 0.200 4.727 4.527 0.000 0.000 0.299 203 F C 2.370 178.163 175.800 -0.011 0.000 1.177 203 F CA -0.264 57.736 58.000 0.000 0.000 1.450 203 F CB -1.009 37.995 39.000 0.006 0.000 1.114 203 F HN 0.251 nan 8.300 nan 0.000 0.587 204 A N -0.028 122.847 122.820 0.091 0.000 2.032 204 A HA -0.210 4.110 4.320 0.000 0.000 0.221 204 A C 2.036 179.645 177.584 0.043 0.000 1.165 204 A CA 1.667 53.734 52.037 0.051 0.000 0.645 204 A CB -0.568 18.438 19.000 0.010 0.000 0.807 204 A HN 0.442 nan 8.150 nan 0.000 0.453 205 E N -1.001 119.228 120.200 0.048 0.000 2.476 205 E HA 0.271 4.621 4.350 0.000 0.000 0.196 205 E C -0.561 176.062 176.600 0.038 0.000 1.029 205 E CA -0.279 56.140 56.400 0.033 0.000 0.896 205 E CB 0.098 29.810 29.700 0.020 0.000 1.012 205 E HN 0.738 nan 8.360 nan 0.000 0.475 206 L N -1.182 120.076 121.223 0.059 0.000 2.354 206 L HA 0.564 4.904 4.340 0.000 0.000 0.269 206 L C 0.451 177.323 176.870 0.003 0.000 1.005 206 L CA -1.355 53.507 54.840 0.036 0.000 0.819 206 L CB 1.233 43.327 42.059 0.058 0.000 1.311 206 L HN -0.187 nan 8.230 nan 0.000 0.423 207 T N -3.090 111.451 114.554 -0.022 0.000 2.795 207 T HA 0.032 4.382 4.350 0.000 0.000 0.314 207 T C 0.671 175.322 174.700 -0.082 0.000 1.069 207 T CA -0.074 61.999 62.100 -0.046 0.000 1.071 207 T CB 0.571 69.409 68.868 -0.050 0.000 0.988 207 T HN 0.692 nan 8.240 nan 0.000 0.543 208 D N 0.099 120.440 120.400 -0.098 0.000 2.190 208 D HA -0.126 4.514 4.640 0.000 0.000 0.200 208 D C 1.789 177.976 176.300 -0.190 0.000 0.992 208 D CA 1.595 55.505 54.000 -0.150 0.000 0.854 208 D CB -0.178 40.540 40.800 -0.136 0.000 0.936 208 D HN 0.886 nan 8.370 nan 0.000 0.462 209 E N 0.723 120.836 120.200 -0.145 0.000 2.006 209 E HA -0.168 4.182 4.350 0.000 0.000 0.192 209 E C 1.854 178.368 176.600 -0.143 0.000 0.993 209 E CA 0.980 57.291 56.400 -0.147 0.000 0.808 209 E CB 0.033 29.667 29.700 -0.109 0.000 0.764 209 E HN 0.393 nan 8.360 nan 0.000 0.449 210 E N 0.856 120.994 120.200 -0.103 0.000 2.331 210 E HA -0.201 4.149 4.350 0.000 0.000 0.199 210 E C 2.325 178.855 176.600 -0.116 0.000 1.008 210 E CA 0.619 56.970 56.400 -0.082 0.000 0.843 210 E CB -0.374 29.302 29.700 -0.040 0.000 0.761 210 E HN 0.363 nan 8.360 nan 0.000 0.507 211 L N 0.707 121.822 121.223 -0.179 0.000 2.023 211 L HA -0.101 4.239 4.340 0.000 0.000 0.205 211 L C 2.429 179.069 176.870 -0.383 0.000 1.073 211 L CA 0.944 55.598 54.840 -0.311 0.000 0.745 211 L CB -0.084 41.766 42.059 -0.348 0.000 0.900 211 L HN 0.154 nan 8.230 nan 0.000 0.435 212 L N -0.224 120.768 121.223 -0.385 0.000 2.131 212 L HA -0.230 4.110 4.340 0.000 0.000 0.210 212 L C 2.800 179.527 176.870 -0.239 0.000 1.092 212 L CA 1.362 55.957 54.840 -0.409 0.000 0.759 212 L CB -0.526 41.267 42.059 -0.443 0.000 0.903 212 L HN 0.344 nan 8.230 nan 0.000 0.435 213 R N 0.216 120.614 120.500 -0.169 0.000 2.090 213 R HA -0.094 4.246 4.340 0.000 0.000 0.228 213 R C 2.296 178.568 176.300 -0.045 0.000 1.110 213 R CA 1.223 57.272 56.100 -0.085 0.000 0.973 213 R CB -0.393 29.872 30.300 -0.059 0.000 0.869 213 R HN 0.321 nan 8.270 nan 0.000 0.440 214 G N 2.069 110.830 108.800 -0.066 0.000 2.446 214 G HA2 -0.247 3.713 3.960 0.000 0.000 0.217 214 G HA3 -0.247 3.713 3.960 0.000 0.000 0.217 214 G C 1.439 176.348 174.900 0.016 0.000 1.168 214 G CA 1.102 46.197 45.100 -0.009 0.000 0.771 214 G HN 0.520 nan 8.290 nan 0.000 0.551 215 I N -1.857 118.677 120.570 -0.060 0.000 3.334 215 I HA 0.313 4.483 4.170 0.000 0.000 0.282 215 I C 1.732 177.871 176.117 0.036 0.000 1.313 215 I CA 0.747 62.043 61.300 -0.008 0.000 1.396 215 I CB -0.353 37.600 38.000 -0.079 0.000 1.054 215 I HN 0.304 nan 8.210 nan 0.000 0.495 216 G N 1.075 109.898 108.800 0.038 0.000 2.176 216 G HA2 -0.306 3.655 3.960 0.000 0.000 0.253 216 G HA3 -0.306 3.655 3.960 0.000 0.000 0.253 216 G C 1.000 175.863 174.900 -0.063 0.000 0.979 216 G CA 0.390 45.535 45.100 0.075 0.000 0.641 216 G HN 0.664 nan 8.290 nan 0.000 0.530 217 A N -0.615 122.149 122.820 -0.093 0.000 1.930 217 A HA 0.562 4.882 4.320 0.000 0.000 0.215 217 A C 1.343 178.872 177.584 -0.092 0.000 1.176 217 A CA 1.065 53.035 52.037 -0.113 0.000 0.632 217 A CB 0.067 19.009 19.000 -0.096 0.000 0.819 217 A HN 0.781 nan 8.150 nan 0.000 0.445 218 L N 0.775 121.941 121.223 -0.095 0.000 2.350 218 L HA 0.220 4.560 4.340 0.000 0.000 0.275 218 L C -0.171 176.689 176.870 -0.017 0.000 1.099 218 L CA -0.554 54.242 54.840 -0.075 0.000 0.808 218 L CB 0.977 42.968 42.059 -0.114 0.000 1.149 218 L HN 0.294 nan 8.230 nan 0.000 0.442 219 D N 1.684 122.092 120.400 0.014 0.000 2.398 219 D HA 0.232 4.872 4.640 0.000 0.000 0.264 219 D C 0.542 176.864 176.300 0.037 0.000 1.263 219 D CA 0.375 54.413 54.000 0.062 0.000 1.037 219 D CB 1.472 42.364 40.800 0.153 0.000 1.101 219 D HN 0.597 nan 8.370 nan 0.000 0.551 220 A N -0.110 122.745 122.820 0.060 0.000 2.044 220 A HA 0.032 4.352 4.320 0.000 0.000 0.213 220 A C 1.747 179.348 177.584 0.028 0.000 1.169 220 A CA 0.758 52.819 52.037 0.039 0.000 0.724 220 A CB -0.208 18.821 19.000 0.048 0.000 0.840 220 A HN 0.469 nan 8.150 nan 0.000 0.463 221 E N -1.106 119.137 120.200 0.073 0.000 2.299 221 E HA 0.268 4.618 4.350 0.000 0.000 0.193 221 E C 1.029 177.539 176.600 -0.149 0.000 0.998 221 E CA 0.892 57.330 56.400 0.063 0.000 0.851 221 E CB 0.166 30.051 29.700 0.308 0.000 0.795 221 E HN 0.718 nan 8.360 nan 0.000 0.492 222 G N -0.151 108.549 108.800 -0.166 0.000 2.151 222 G HA2 -0.185 3.775 3.960 0.000 0.000 0.156 222 G HA3 -0.185 3.775 3.960 0.000 0.000 0.156 222 G C -0.484 174.117 174.900 -0.498 0.000 1.017 222 G CA -0.661 44.244 45.100 -0.325 0.000 0.686 222 G HN 0.084 nan 8.290 nan 0.000 0.503 223 F N 0.410 120.335 119.950 -0.041 0.000 2.458 223 F HA 0.661 5.188 4.527 0.000 0.000 0.336 223 F C 0.896 176.663 175.800 -0.055 0.000 1.114 223 F CA -1.092 56.882 58.000 -0.043 0.000 0.987 223 F CB 1.468 40.449 39.000 -0.032 0.000 1.130 223 F HN -0.038 nan 8.300 nan 0.000 0.458 224 L N 3.105 124.395 121.223 0.112 0.000 2.380 224 L HA 0.263 4.603 4.340 0.000 0.000 0.273 224 L C 0.615 177.496 176.870 0.018 0.000 1.138 224 L CA -0.472 54.383 54.840 0.024 0.000 0.832 224 L CB 0.760 42.817 42.059 -0.003 0.000 1.124 224 L HN 0.735 nan 8.230 nan 0.000 0.454 225 S N 1.448 117.125 115.700 -0.038 0.000 2.585 225 S HA 0.038 4.508 4.470 0.000 0.000 0.273 225 S C 0.729 175.264 174.600 -0.108 0.000 1.339 225 S CA -0.622 57.529 58.200 -0.082 0.000 1.028 225 S CB 1.531 64.633 63.200 -0.164 0.000 0.906 225 S HN 0.665 nan 8.310 nan 0.000 0.528 226 Q N 2.294 122.020 119.800 -0.122 0.000 2.065 226 Q HA -0.239 4.101 4.340 0.000 0.000 0.213 226 Q C 2.311 178.186 176.000 -0.209 0.000 1.012 226 Q CA 2.895 58.606 55.803 -0.152 0.000 0.876 226 Q CB -1.272 27.366 28.738 -0.167 0.000 0.954 226 Q HN 1.000 nan 8.270 nan 0.000 0.413 227 A N -0.501 122.170 122.820 -0.248 0.000 1.873 227 A HA -0.150 4.170 4.320 0.000 0.000 0.218 227 A C 2.342 179.807 177.584 -0.199 0.000 1.193 227 A CA 2.098 53.974 52.037 -0.267 0.000 0.629 227 A CB -1.637 17.203 19.000 -0.265 0.000 0.826 227 A HN 0.605 nan 8.150 nan 0.000 0.447 228 G N -0.471 108.252 108.800 -0.128 0.000 2.469 228 G HA2 -0.331 3.629 3.960 0.000 0.000 0.220 228 G HA3 -0.331 3.629 3.960 0.000 0.000 0.220 228 G C 1.641 176.571 174.900 0.050 0.000 1.136 228 G CA 1.453 46.562 45.100 0.014 0.000 0.759 228 G HN 0.653 nan 8.290 nan 0.000 0.562 229 K N 0.092 120.466 120.400 -0.043 0.000 2.002 229 K HA 0.016 4.336 4.320 0.000 0.000 0.209 229 K C 2.484 179.026 176.600 -0.097 0.000 1.048 229 K CA 1.349 57.609 56.287 -0.044 0.000 0.930 229 K CB -0.357 32.106 32.500 -0.062 0.000 0.714 229 K HN 0.310 nan 8.250 nan 0.000 0.438 230 L N 0.864 121.968 121.223 -0.198 0.000 2.191 230 L HA -0.132 4.208 4.340 0.000 0.000 0.212 230 L C 1.877 178.565 176.870 -0.304 0.000 1.103 230 L CA 0.949 55.608 54.840 -0.303 0.000 0.769 230 L CB -0.055 41.696 42.059 -0.513 0.000 0.908 230 L HN 0.200 nan 8.230 nan 0.000 0.438 231 L N -1.541 119.504 121.223 -0.295 0.000 2.307 231 L HA 0.106 4.446 4.340 0.000 0.000 0.211 231 L C 1.170 177.690 176.870 -0.583 0.000 1.099 231 L CA 1.512 56.081 54.840 -0.452 0.000 0.816 231 L CB -0.095 41.608 42.059 -0.594 0.000 0.952 231 L HN 0.202 nan 8.230 nan 0.000 0.455 232 F N -2.293 117.579 119.950 -0.131 0.000 2.746 232 F HA 0.263 4.790 4.527 0.000 0.000 0.320 232 F C 0.654 176.404 175.800 -0.083 0.000 1.097 232 F CA -0.172 57.768 58.000 -0.099 0.000 1.195 232 F CB 0.420 39.354 39.000 -0.110 0.000 1.056 232 F HN -0.268 nan 8.300 nan 0.000 0.562 233 T N -0.373 114.207 114.554 0.043 0.000 2.908 233 T HA 0.305 4.655 4.350 0.000 0.000 0.290 233 T C -0.030 174.656 174.700 -0.024 0.000 1.034 233 T CA -0.678 61.429 62.100 0.011 0.000 1.010 233 T CB 1.634 70.503 68.868 0.001 0.000 1.068 233 T HN -0.196 nan 8.240 nan 0.000 0.481 234 S N 2.510 118.201 115.700 -0.015 0.000 2.544 234 S HA 0.034 4.504 4.470 0.000 0.000 0.290 234 S C 1.663 176.249 174.600 -0.022 0.000 1.276 234 S CA -0.402 57.787 58.200 -0.018 0.000 1.075 234 S CB -0.132 63.061 63.200 -0.012 0.000 0.849 234 S HN 0.667 nan 8.310 nan 0.000 0.494 235 L N -0.188 121.023 121.223 -0.020 0.000 2.567 235 L HA 0.289 4.629 4.340 0.000 0.000 0.225 235 L C -0.402 176.476 176.870 0.013 0.000 1.119 235 L CA 0.061 54.891 54.840 -0.015 0.000 0.871 235 L CB -0.452 41.600 42.059 -0.012 0.000 1.036 235 L HN 0.409 nan 8.230 nan 0.000 0.459 236 D N 1.857 122.264 120.400 0.012 0.000 2.800 236 D HA -0.203 4.437 4.640 0.000 0.000 0.232 236 D C 0.133 176.452 176.300 0.032 0.000 1.137 236 D CA 1.439 55.449 54.000 0.017 0.000 0.718 236 D CB -0.647 40.160 40.800 0.012 0.000 1.084 236 D HN 0.915 nan 8.370 nan 0.000 0.432 237 R N -3.231 117.296 120.500 0.045 0.000 2.824 237 R HA 0.345 4.685 4.340 0.000 0.000 0.267 237 R C -1.344 175.004 176.300 0.080 0.000 1.035 237 R CA -0.807 55.329 56.100 0.060 0.000 0.887 237 R CB 0.353 30.697 30.300 0.073 0.000 1.262 237 R HN -0.165 nan 8.270 nan 0.000 0.487 238 T N 1.931 116.531 114.554 0.076 0.000 2.853 238 T HA 0.286 4.636 4.350 0.000 0.000 0.298 238 T C 1.088 175.860 174.700 0.120 0.000 0.978 238 T CA 0.593 62.746 62.100 0.088 0.000 1.152 238 T CB 1.322 70.233 68.868 0.071 0.000 0.914 238 T HN 0.618 nan 8.240 nan 0.000 0.539 239 A N 4.115 127.029 122.820 0.157 0.000 1.924 239 A HA 0.492 4.812 4.320 0.000 0.000 0.211 239 A C 0.752 178.403 177.584 0.112 0.000 1.198 239 A CA 0.282 52.449 52.037 0.216 0.000 0.657 239 A CB 0.228 19.457 19.000 0.382 0.000 0.852 239 A HN 0.766 nan 8.150 nan 0.000 0.454 240 I N 0.016 120.654 120.570 0.114 0.000 2.752 240 I HA 0.426 4.596 4.170 0.000 0.000 0.295 240 I C -2.067 174.099 176.117 0.081 0.000 1.219 240 I CA -0.820 60.527 61.300 0.079 0.000 1.030 240 I CB 2.134 40.186 38.000 0.086 0.000 1.259 240 I HN 0.486 nan 8.210 nan 0.000 0.423 241 E N 6.362 126.594 120.200 0.054 0.000 2.356 241 E HA 0.477 4.827 4.350 0.000 0.000 0.275 241 E C -1.879 174.725 176.600 0.007 0.000 0.904 241 E CA -0.993 55.433 56.400 0.044 0.000 0.757 241 E CB 2.883 32.608 29.700 0.041 0.000 1.232 241 E HN 0.429 nan 8.360 nan 0.000 0.442 242 L N 1.392 122.605 121.223 -0.017 0.000 2.295 242 L HA 0.508 4.848 4.340 0.000 0.000 0.285 242 L C -1.202 175.606 176.870 -0.102 0.000 1.035 242 L CA -0.061 54.746 54.840 -0.055 0.000 0.806 242 L CB 1.755 43.768 42.059 -0.075 0.000 1.214 242 L HN 0.622 nan 8.230 nan 0.000 0.426 243 S N 6.403 122.004 115.700 -0.164 0.000 2.640 243 S HA 0.580 5.050 4.470 0.000 0.000 0.320 243 S C -0.315 174.036 174.600 -0.415 0.000 1.097 243 S CA -0.414 57.595 58.200 -0.319 0.000 1.092 243 S CB 0.588 63.516 63.200 -0.453 0.000 0.988 243 S HN 0.516 nan 8.310 nan 0.000 0.470 244 I N 4.012 124.412 120.570 -0.283 0.000 2.352 244 I HA 0.337 4.507 4.170 0.000 0.000 0.290 244 I C -0.566 175.474 176.117 -0.128 0.000 1.036 244 I CA -0.166 61.056 61.300 -0.129 0.000 1.336 244 I CB 0.259 38.232 38.000 -0.045 0.000 1.407 244 I HN 0.404 nan 8.210 nan 0.000 0.497 245 F N 3.779 123.806 119.950 0.128 0.000 2.461 245 F HA 0.259 4.786 4.527 0.000 0.000 0.337 245 F C 1.141 176.993 175.800 0.086 0.000 1.079 245 F CA -0.748 57.298 58.000 0.077 0.000 1.032 245 F CB 0.778 39.804 39.000 0.044 0.000 1.327 245 F HN 0.391 nan 8.300 nan 0.000 0.491 246 D N -0.902 119.676 120.400 0.296 0.000 2.525 246 D HA 0.183 4.823 4.640 0.000 0.000 0.248 246 D C -1.031 175.332 176.300 0.105 0.000 1.000 246 D CA 0.849 54.945 54.000 0.161 0.000 0.923 246 D CB 0.899 41.766 40.800 0.112 0.000 1.101 246 D HN 0.126 nan 8.370 nan 0.000 0.493 247 V N 0.162 120.115 119.914 0.065 0.000 3.023 247 V HA 0.229 4.349 4.120 0.000 0.000 0.294 247 V C -1.493 174.582 176.094 -0.032 0.000 1.324 247 V CA -0.920 61.396 62.300 0.028 0.000 0.979 247 V CB 1.541 33.372 31.823 0.014 0.000 1.093 247 V HN 0.220 nan 8.190 nan 0.000 0.434 248 H N 4.833 123.843 119.070 -0.101 0.000 3.260 248 H HA 0.389 4.945 4.556 0.000 0.000 0.221 248 H C 0.492 175.700 175.328 -0.199 0.000 0.786 248 H CA 2.236 58.193 56.048 -0.152 0.000 1.373 248 H CB -0.214 29.489 29.762 -0.098 0.000 1.505 248 H HN 1.571 nan 8.280 nan 0.000 0.494 249 G N 3.160 111.601 108.800 -0.598 0.000 2.881 249 G HA2 0.427 4.387 3.960 0.000 0.000 0.597 249 G HA3 0.427 4.387 3.960 0.000 0.000 0.597 249 G C 0.347 174.980 174.900 -0.443 0.000 1.188 249 G CA -0.248 44.551 45.100 -0.503 0.000 1.218 249 G HN 1.179 nan 8.290 nan 0.000 0.544 250 G N 0.959 109.415 108.800 -0.573 0.000 2.791 250 G HA2 0.299 4.259 3.960 0.000 0.000 0.256 250 G HA3 0.299 4.259 3.960 0.000 0.000 0.256 250 G C 0.309 175.058 174.900 -0.250 0.000 1.380 250 G CA 1.376 46.251 45.100 -0.376 0.000 0.904 250 G HN 2.454 nan 8.290 nan 0.000 0.563 251 Q N -3.113 116.670 119.800 -0.027 0.000 2.367 251 Q HA -0.100 4.240 4.340 0.000 0.000 0.292 251 Q C 0.183 176.335 176.000 0.254 0.000 1.368 251 Q CA 0.911 56.759 55.803 0.075 0.000 0.683 251 Q CB -1.442 27.316 28.738 0.032 0.000 1.061 251 Q HN 1.673 nan 8.270 nan 0.000 0.362 252 V N 4.111 124.195 119.914 0.284 0.000 2.324 252 V HA -0.038 4.082 4.120 0.000 0.000 0.244 252 V C 1.999 178.172 176.094 0.132 0.000 1.144 252 V CA 0.751 63.219 62.300 0.280 0.000 1.158 252 V CB -0.214 31.721 31.823 0.187 0.000 1.254 252 V HN 0.674 nan 8.190 nan 0.000 0.492 253 L N 2.419 123.720 121.223 0.130 0.000 2.042 253 L HA -0.075 4.266 4.340 0.000 0.000 0.210 253 L C 1.254 178.140 176.870 0.026 0.000 1.076 253 L CA 1.513 56.397 54.840 0.073 0.000 0.749 253 L CB -0.015 42.094 42.059 0.083 0.000 0.893 253 L HN 0.755 nan 8.230 nan 0.000 0.432 254 N N -1.452 117.242 118.700 -0.009 0.000 2.935 254 N HA 0.241 4.981 4.740 0.000 0.000 0.248 254 N C -1.648 173.817 175.510 -0.075 0.000 1.276 254 N CA -0.580 52.449 53.050 -0.035 0.000 0.906 254 N CB 1.860 40.322 38.487 -0.041 0.000 1.564 254 N HN -0.103 nan 8.380 nan 0.000 0.500 255 R N 1.819 122.283 120.500 -0.059 0.000 2.574 255 R HA 0.566 4.906 4.340 0.000 0.000 0.288 255 R C -1.799 174.478 176.300 -0.038 0.000 1.004 255 R CA -0.635 55.425 56.100 -0.068 0.000 0.895 255 R CB 1.554 31.823 30.300 -0.051 0.000 1.191 255 R HN 0.269 nan 8.270 nan 0.000 0.444 256 V N 6.217 126.106 119.914 -0.041 0.000 2.444 256 V HA 0.649 4.769 4.120 0.000 0.000 0.294 256 V C -1.115 175.012 176.094 0.055 0.000 1.022 256 V CA -0.397 61.901 62.300 -0.003 0.000 0.850 256 V CB 1.751 33.523 31.823 -0.085 0.000 0.992 256 V HN 0.556 nan 8.190 nan 0.000 0.426 257 V N 5.746 125.737 119.914 0.129 0.000 2.588 257 V HA 0.802 4.922 4.120 0.000 0.000 0.304 257 V C -2.565 173.654 176.094 0.209 0.000 1.042 257 V CA -1.864 60.523 62.300 0.144 0.000 0.877 257 V CB 1.686 33.556 31.823 0.078 0.000 0.996 257 V HN 0.792 nan 8.190 nan 0.000 0.425 258 P HA 0.353 nan 4.420 nan 0.000 0.275 258 P C -0.490 176.780 177.300 -0.049 0.000 1.228 258 P CA -0.077 63.036 63.100 0.021 0.000 0.786 258 P CB 0.972 32.736 31.700 0.106 0.000 0.927 259 E N 3.802 123.909 120.200 -0.154 0.000 2.376 259 E HA 0.032 4.382 4.350 0.000 0.000 0.266 259 E C -1.281 175.289 176.600 -0.050 0.000 1.009 259 E CA -1.177 55.169 56.400 -0.090 0.000 0.902 259 E CB -0.076 29.553 29.700 -0.119 0.000 0.972 259 E HN 0.381 nan 8.360 nan 0.000 0.439 260 P HA -0.168 nan 4.420 nan 0.000 0.234 260 P C -0.230 177.066 177.300 -0.008 0.000 1.162 260 P CA 1.046 64.147 63.100 0.001 0.000 0.759 260 P CB 0.370 32.076 31.700 0.010 0.000 0.813 261 E N -0.482 119.703 120.200 -0.025 0.000 2.400 261 E HA 0.054 4.404 4.350 0.000 0.000 0.195 261 E C 0.591 177.174 176.600 -0.029 0.000 1.012 261 E CA 0.306 56.691 56.400 -0.025 0.000 0.875 261 E CB -0.150 29.531 29.700 -0.031 0.000 0.859 261 E HN 0.340 nan 8.360 nan 0.000 0.498 262 K N 1.402 121.779 120.400 -0.039 0.000 2.237 262 K HA 0.256 4.576 4.320 0.000 0.000 0.270 262 K C 0.220 176.811 176.600 -0.016 0.000 1.015 262 K CA -0.210 56.056 56.287 -0.036 0.000 0.949 262 K CB 1.124 33.587 32.500 -0.061 0.000 0.976 262 K HN 0.051 nan 8.250 nan 0.000 0.472 263 S N 0.216 115.904 115.700 -0.020 0.000 2.632 263 S HA 0.074 4.544 4.470 0.000 0.000 0.271 263 S C 1.369 175.953 174.600 -0.028 0.000 1.260 263 S CA -0.958 57.216 58.200 -0.042 0.000 1.010 263 S CB 1.134 64.292 63.200 -0.070 0.000 0.965 263 S HN 0.725 nan 8.310 nan 0.000 0.534 264 C N 0.988 120.257 119.300 -0.053 0.000 2.375 264 C HA -0.150 4.310 4.460 0.000 0.000 0.274 264 C C 2.729 177.745 174.990 0.043 0.000 1.190 264 C CA 0.997 60.027 59.018 0.020 0.000 1.775 264 C CB -1.834 25.895 27.740 -0.019 0.000 2.067 264 C HN 0.865 nan 8.230 nan 0.000 0.463 265 L N 0.106 121.298 121.223 -0.051 0.000 2.042 265 L HA -0.214 4.126 4.340 0.000 0.000 0.210 265 L C 2.644 179.615 176.870 0.169 0.000 1.076 265 L CA 1.779 56.647 54.840 0.046 0.000 0.749 265 L CB -0.757 41.258 42.059 -0.074 0.000 0.893 265 L HN 0.517 nan 8.230 nan 0.000 0.432 266 E N -0.508 119.743 120.200 0.085 0.000 2.047 266 E HA -0.231 4.120 4.350 0.000 0.000 0.191 266 E C 2.240 178.922 176.600 0.137 0.000 0.987 266 E CA 0.938 57.396 56.400 0.098 0.000 0.799 266 E CB -0.059 29.657 29.700 0.026 0.000 0.752 266 E HN 0.512 nan 8.360 nan 0.000 0.449 267 Q N 0.366 120.234 119.800 0.114 0.000 2.124 267 Q HA -0.178 4.162 4.340 0.000 0.000 0.202 267 Q C 2.345 178.463 176.000 0.197 0.000 0.977 267 Q CA 0.893 56.790 55.803 0.155 0.000 0.850 267 Q CB -0.112 28.706 28.738 0.133 0.000 0.901 267 Q HN 0.192 nan 8.270 nan 0.000 0.429 268 L N 0.965 122.294 121.223 0.177 0.000 2.046 268 L HA -0.193 4.147 4.340 0.000 0.000 0.208 268 L C 1.806 178.779 176.870 0.172 0.000 1.077 268 L CA 2.075 57.008 54.840 0.156 0.000 0.747 268 L CB -0.360 41.779 42.059 0.133 0.000 0.896 268 L HN 0.126 nan 8.230 nan 0.000 0.432 269 D N -1.841 118.709 120.400 0.251 0.000 2.084 269 D HA -0.299 4.341 4.640 0.000 0.000 0.196 269 D C 2.112 178.551 176.300 0.232 0.000 0.985 269 D CA 1.402 55.579 54.000 0.294 0.000 0.826 269 D CB -0.342 40.676 40.800 0.363 0.000 0.978 269 D HN 0.431 nan 8.370 nan 0.000 0.456 270 Y N 0.554 120.908 120.300 0.089 0.000 2.114 270 Y HA -0.192 4.358 4.550 0.000 0.000 0.282 270 Y C 2.158 178.078 175.900 0.033 0.000 1.165 270 Y CA 1.260 59.390 58.100 0.050 0.000 1.148 270 Y CB -0.509 37.975 38.460 0.040 0.000 0.972 270 Y HN 0.078 nan 8.280 nan 0.000 0.504 271 L N 0.440 121.713 121.223 0.084 0.000 2.017 271 L HA -0.226 4.114 4.340 0.000 0.000 0.208 271 L C 2.199 179.035 176.870 -0.057 0.000 1.073 271 L CA 2.130 56.958 54.840 -0.019 0.000 0.745 271 L CB -1.163 40.924 42.059 0.047 0.000 0.894 271 L HN 0.396 nan 8.230 nan 0.000 0.432 272 E N -1.146 119.055 120.200 0.002 0.000 2.153 272 E HA -0.234 4.116 4.350 0.000 0.000 0.194 272 E C 2.098 178.675 176.600 -0.039 0.000 0.988 272 E CA 0.667 57.064 56.400 -0.006 0.000 0.811 272 E CB 0.061 29.786 29.700 0.042 0.000 0.746 272 E HN 0.527 nan 8.360 nan 0.000 0.466 273 Q N 0.364 120.136 119.800 -0.046 0.000 1.993 273 Q HA -0.175 4.165 4.340 0.000 0.000 0.202 273 Q C 2.319 178.225 176.000 -0.157 0.000 0.984 273 Q CA 1.541 57.296 55.803 -0.080 0.000 0.837 273 Q CB -0.446 28.237 28.738 -0.093 0.000 0.902 273 Q HN 0.262 nan 8.270 nan 0.000 0.423 274 A N 0.994 123.667 122.820 -0.246 0.000 1.851 274 A HA -0.191 4.129 4.320 0.000 0.000 0.216 274 A C 2.186 179.622 177.584 -0.245 0.000 1.195 274 A CA 1.458 53.334 52.037 -0.269 0.000 0.622 274 A CB -0.952 17.855 19.000 -0.323 0.000 0.831 274 A HN 0.307 nan 8.150 nan 0.000 0.444 275 L N 0.557 121.647 121.223 -0.222 0.000 2.089 275 L HA -0.238 4.102 4.340 0.000 0.000 0.213 275 L C 2.120 178.828 176.870 -0.270 0.000 1.079 275 L CA 2.360 57.045 54.840 -0.258 0.000 0.758 275 L CB -1.002 40.970 42.059 -0.145 0.000 0.891 275 L HN 0.624 nan 8.230 nan 0.000 0.433 276 N N -1.438 117.158 118.700 -0.174 0.000 2.223 276 N HA -0.151 4.589 4.740 0.000 0.000 0.185 276 N C 1.609 177.022 175.510 -0.161 0.000 1.016 276 N CA 1.410 54.381 53.050 -0.132 0.000 0.863 276 N CB 0.087 38.530 38.487 -0.074 0.000 0.983 276 N HN 0.229 nan 8.380 nan 0.000 0.429 277 V N -0.666 119.133 119.914 -0.193 0.000 2.379 277 V HA -0.081 4.039 4.120 0.000 0.000 0.243 277 V C 2.182 178.118 176.094 -0.263 0.000 1.035 277 V CA 1.032 63.222 62.300 -0.185 0.000 1.035 277 V CB -0.477 31.247 31.823 -0.165 0.000 0.673 277 V HN 0.136 nan 8.190 nan 0.000 0.457 278 V N 0.343 120.013 119.914 -0.406 0.000 2.688 278 V HA -0.218 3.902 4.120 0.000 0.000 0.256 278 V C 1.365 176.982 176.094 -0.794 0.000 1.084 278 V CA 1.485 63.394 62.300 -0.650 0.000 1.103 278 V CB -1.228 30.023 31.823 -0.953 0.000 0.688 278 V HN 0.614 nan 8.190 nan 0.000 0.480 279 N N 1.408 119.743 118.700 -0.609 0.000 2.971 279 N HA -0.016 4.724 4.740 0.000 0.000 0.294 279 N C 1.222 176.684 175.510 -0.080 0.000 1.210 279 N CA -0.382 52.471 53.050 -0.329 0.000 1.157 279 N CB 0.060 38.449 38.487 -0.163 0.000 1.450 279 N HN 0.273 nan 8.380 nan 0.000 0.527 280 K N 1.411 121.803 120.400 -0.012 0.000 2.248 280 K HA -0.385 3.935 4.320 0.000 0.000 0.216 280 K C 0.679 177.295 176.600 0.027 0.000 0.902 280 K CA 1.821 58.131 56.287 0.038 0.000 0.975 280 K CB -1.427 31.147 32.500 0.122 0.000 1.016 280 K HN 0.862 nan 8.250 nan 0.000 0.508 294 P HA 0.389 nan 4.420 nan 0.000 0.275 294 P C 0.633 177.987 177.300 0.090 0.000 1.266 294 P CA -0.137 63.004 63.100 0.069 0.000 0.793 294 P CB 1.457 33.193 31.700 0.059 0.000 1.074 295 E N 0.098 120.366 120.200 0.114 0.000 2.000 295 E HA -0.094 4.256 4.350 0.000 0.000 0.199 295 E C 0.640 177.237 176.600 -0.005 0.000 1.011 295 E CA 1.132 57.578 56.400 0.076 0.000 0.836 295 E CB -0.309 29.462 29.700 0.119 0.000 0.778 295 E HN 0.432 nan 8.360 nan 0.000 0.462 296 I N 3.820 124.411 120.570 0.035 0.000 2.371 296 I HA 0.119 4.289 4.170 0.000 0.000 0.290 296 I C -2.140 174.002 176.117 0.042 0.000 1.028 296 I CA -2.289 58.991 61.300 -0.032 0.000 1.345 296 I CB 0.900 38.902 38.000 0.004 0.000 1.407 296 I HN -0.062 nan 8.210 nan 0.000 0.501 297 P HA 0.017 nan 4.420 nan 0.000 0.263 297 P C 0.315 177.640 177.300 0.041 0.000 1.195 297 P CA -0.175 62.956 63.100 0.050 0.000 0.762 297 P CB 0.622 32.358 31.700 0.059 0.000 0.799 298 R N 2.160 122.683 120.500 0.039 0.000 2.140 298 R HA -0.197 4.144 4.340 0.000 0.000 0.250 298 R C 2.037 178.349 176.300 0.020 0.000 1.150 298 R CA 1.240 57.357 56.100 0.028 0.000 0.966 298 R CB -1.519 28.795 30.300 0.023 0.000 0.869 298 R HN 0.460 nan 8.270 nan 0.000 0.445 299 L N 0.822 122.056 121.223 0.020 0.000 1.990 299 L HA -0.192 4.148 4.340 0.000 0.000 0.213 299 L C 2.327 179.202 176.870 0.009 0.000 1.072 299 L CA 2.360 57.207 54.840 0.012 0.000 0.755 299 L CB -0.930 41.140 42.059 0.018 0.000 0.889 299 L HN 0.191 nan 8.230 nan 0.000 0.432 300 A N -0.943 121.885 122.820 0.014 0.000 1.873 300 A HA -0.197 4.123 4.320 0.000 0.000 0.218 300 A C 2.258 179.845 177.584 0.006 0.000 1.193 300 A CA 2.576 54.616 52.037 0.005 0.000 0.629 300 A CB -1.345 17.651 19.000 -0.007 0.000 0.826 300 A HN 0.358 nan 8.150 nan 0.000 0.447 301 V N -0.143 119.783 119.914 0.020 0.000 2.231 301 V HA -0.322 3.798 4.120 0.000 0.000 0.248 301 V C 2.624 178.725 176.094 0.012 0.000 1.054 301 V CA 2.429 64.748 62.300 0.032 0.000 1.015 301 V CB -0.890 30.966 31.823 0.056 0.000 0.638 301 V HN 0.565 nan 8.190 nan 0.000 0.444 302 R N -0.587 119.913 120.500 0.000 0.000 2.119 302 R HA -0.283 4.057 4.340 0.000 0.000 0.246 302 R C 2.385 178.669 176.300 -0.025 0.000 1.146 302 R CA 2.267 58.354 56.100 -0.021 0.000 0.962 302 R CB -0.287 29.993 30.300 -0.034 0.000 0.863 302 R HN 0.553 nan 8.270 nan 0.000 0.442 303 E N 0.353 120.543 120.200 -0.016 0.000 2.017 303 E HA -0.067 4.283 4.350 0.000 0.000 0.193 303 E C 0.542 177.135 176.600 -0.011 0.000 0.997 303 E CA 1.281 57.671 56.400 -0.016 0.000 0.804 303 E CB -0.356 29.341 29.700 -0.006 0.000 0.757 303 E HN 0.400 nan 8.360 nan 0.000 0.448 307 N N 0.788 119.478 118.700 -0.017 0.000 2.428 307 N HA 0.239 4.979 4.740 0.000 0.000 0.181 307 N C 0.968 176.544 175.510 0.109 0.000 1.028 307 N CA 0.888 53.969 53.050 0.052 0.000 0.877 307 N CB 0.326 38.813 38.487 -0.000 0.000 1.064 307 N HN 0.335 nan 8.380 nan 0.000 0.434 311 H N 1.571 120.685 119.070 0.074 0.000 2.505 311 H HA 0.319 4.875 4.556 0.000 0.000 0.286 311 H C 0.823 176.134 175.328 -0.029 0.000 1.072 311 H CA -0.272 55.802 56.048 0.043 0.000 1.141 311 H CB 0.126 29.893 29.762 0.008 0.000 1.550 311 H HN 0.113 nan 8.280 nan 0.000 0.547 312 R N 0.650 121.122 120.500 -0.047 0.000 2.840 312 R HA -0.055 4.285 4.340 0.000 0.000 0.282 312 R C 1.125 177.280 176.300 -0.242 0.000 1.133 312 R CA 0.096 55.977 56.100 -0.366 0.000 1.208 312 R CB 0.432 30.104 30.300 -1.047 0.000 1.160 312 R HN 0.258 nan 8.270 nan 0.000 0.576 313 D N 0.007 120.235 120.400 -0.285 0.000 2.271 313 D HA -0.080 4.560 4.640 0.000 0.000 0.206 313 D C 0.237 176.649 176.300 0.186 0.000 0.967 313 D CA 0.494 54.474 54.000 -0.033 0.000 0.867 313 D CB 0.113 40.856 40.800 -0.096 0.000 0.960 313 D HN 0.632 nan 8.370 nan 0.000 0.509 314 W N 0.175 121.546 121.300 0.119 0.000 3.275 314 W HA -0.270 4.390 4.660 0.000 0.000 0.278 314 W C 1.298 177.839 176.519 0.036 0.000 1.045 314 W CA 0.489 57.867 57.345 0.056 0.000 0.611 314 W CB -1.530 27.922 29.460 -0.014 0.000 2.065 314 W HN 0.118 nan 8.180 nan 0.000 1.526 315 N N -0.508 118.327 118.700 0.225 0.000 2.166 315 N HA 0.146 4.886 4.740 0.000 0.000 0.213 315 N C 0.435 175.993 175.510 0.079 0.000 1.222 315 N CA 0.150 53.291 53.050 0.152 0.000 0.900 315 N CB 0.370 38.946 38.487 0.148 0.000 1.055 315 N HN 0.093 nan 8.380 nan 0.000 0.515 316 R N -0.078 120.442 120.500 0.034 0.000 2.536 316 R HA 0.371 4.711 4.340 0.000 0.000 0.279 316 R C 1.182 177.485 176.300 0.004 0.000 1.001 316 R CA -0.309 55.781 56.100 -0.018 0.000 1.027 316 R CB 1.346 31.582 30.300 -0.108 0.000 1.096 316 R HN -0.081 nan 8.270 nan 0.000 0.502 317 S N 1.360 117.065 115.700 0.010 0.000 2.325 317 S HA -0.113 4.357 4.470 0.000 0.000 0.213 317 S C -0.060 174.558 174.600 0.029 0.000 1.031 317 S CA 0.909 59.129 58.200 0.032 0.000 0.984 317 S CB -0.234 62.987 63.200 0.035 0.000 0.939 317 S HN 0.711 nan 8.310 nan 0.000 0.438 318 E N 3.312 123.531 120.200 0.032 0.000 2.900 318 E HA -0.038 4.312 4.350 0.000 0.000 0.259 318 E C -2.808 173.815 176.600 0.037 0.000 0.918 318 E CA -0.654 55.785 56.400 0.065 0.000 0.960 318 E CB -0.648 29.140 29.700 0.146 0.000 0.908 318 E HN 0.153 nan 8.360 nan 0.000 0.511 319 P HA 0.190 nan 4.420 nan 0.000 0.275 319 P C 0.054 177.371 177.300 0.028 0.000 1.266 319 P CA -0.530 62.584 63.100 0.023 0.000 0.793 319 P CB 0.475 32.206 31.700 0.051 0.000 1.074 320 I N 1.148 121.711 120.570 -0.012 0.000 2.581 320 I HA -0.015 4.155 4.170 0.000 0.000 0.285 320 I C 0.640 176.782 176.117 0.041 0.000 1.129 320 I CA 0.448 61.753 61.300 0.008 0.000 1.397 320 I CB -0.211 37.773 38.000 -0.027 0.000 1.399 320 I HN 0.210 nan 8.210 nan 0.000 0.537 321 D N 7.140 127.578 120.400 0.063 0.000 2.380 321 D HA 0.181 4.821 4.640 0.000 0.000 0.230 321 D C -0.833 175.479 176.300 0.021 0.000 1.154 321 D CA -0.072 53.947 54.000 0.032 0.000 0.859 321 D CB 1.261 42.069 40.800 0.013 0.000 1.045 321 D HN 0.165 nan 8.370 nan 0.000 0.495 322 V N 6.251 126.174 119.914 0.015 0.000 2.357 322 V HA 0.517 4.637 4.120 0.000 0.000 0.284 322 V C -0.590 175.512 176.094 0.012 0.000 1.018 322 V CA -0.665 61.651 62.300 0.027 0.000 0.841 322 V CB 0.758 32.603 31.823 0.037 0.000 0.991 322 V HN 0.555 nan 8.190 nan 0.000 0.437 323 R N 5.644 126.164 120.500 0.033 0.000 2.732 323 R HA 0.558 4.898 4.340 0.000 0.000 0.278 323 R C -1.196 175.193 176.300 0.148 0.000 0.976 323 R CA -0.853 55.255 56.100 0.013 0.000 0.963 323 R CB 2.020 32.340 30.300 0.033 0.000 1.150 323 R HN 0.709 nan 8.270 nan 0.000 0.478 324 W N 5.062 126.322 121.300 -0.066 0.000 2.554 324 W HA 0.338 4.998 4.660 0.000 0.000 0.324 324 W C -1.559 174.996 176.519 0.060 0.000 1.018 324 W CA -1.214 56.123 57.345 -0.013 0.000 1.243 324 W CB 1.335 30.766 29.460 -0.049 0.000 1.345 324 W HN 0.471 nan 8.180 nan 0.000 0.441 325 I N 6.298 126.744 120.570 -0.206 0.000 2.281 325 I HA 0.013 4.183 4.170 0.000 0.000 0.293 325 I C 1.522 177.525 176.117 -0.190 0.000 1.085 325 I CA -0.054 61.204 61.300 -0.070 0.000 1.257 325 I CB 0.702 38.661 38.000 -0.069 0.000 1.430 325 I HN 0.460 nan 8.210 nan 0.000 0.489 326 E N 4.126 124.385 120.200 0.098 0.000 2.097 326 E HA -0.213 4.137 4.350 0.000 0.000 0.196 326 E C 2.008 178.640 176.600 0.054 0.000 1.000 326 E CA 1.330 57.833 56.400 0.171 0.000 0.804 326 E CB 0.299 30.134 29.700 0.225 0.000 0.740 326 E HN 0.612 nan 8.360 nan 0.000 0.454 327 L N 1.135 122.374 121.223 0.027 0.000 2.027 327 L HA -0.182 4.158 4.340 0.000 0.000 0.206 327 L C 1.638 178.484 176.870 -0.041 0.000 1.074 327 L CA 1.318 56.162 54.840 0.006 0.000 0.745 327 L CB -0.147 41.921 42.059 0.015 0.000 0.898 327 L HN 0.041 nan 8.230 nan 0.000 0.433 328 D N -0.913 119.435 120.400 -0.087 0.000 2.355 328 D HA -0.030 4.610 4.640 0.000 0.000 0.218 328 D C 0.657 176.825 176.300 -0.220 0.000 1.004 328 D CA 0.419 54.339 54.000 -0.133 0.000 0.880 328 D CB 0.153 40.867 40.800 -0.144 0.000 0.911 328 D HN 0.114 nan 8.370 nan 0.000 0.528 329 S N 0.183 115.711 115.700 -0.287 0.000 3.628 329 S HA -0.142 4.328 4.470 0.000 0.000 0.373 329 S C 0.389 174.601 174.600 -0.646 0.000 0.968 329 S CA 0.848 58.778 58.200 -0.451 0.000 1.215 329 S CB -2.042 61.021 63.200 -0.229 0.000 0.912 329 S HN 0.627 nan 8.310 nan 0.000 0.495 330 T N -1.276 112.838 114.554 -0.734 0.000 2.930 330 T HA 0.836 5.186 4.350 0.000 0.000 0.290 330 T C -0.514 173.790 174.700 -0.661 0.000 1.052 330 T CA -1.056 60.689 62.100 -0.592 0.000 1.017 330 T CB 2.298 70.954 68.868 -0.352 0.000 1.137 330 T HN 0.393 nan 8.240 nan 0.000 0.511 331 L N 1.406 122.406 121.223 -0.372 0.000 2.408 331 L HA 0.768 5.108 4.340 0.000 0.000 0.268 331 L C -1.645 175.186 176.870 -0.065 0.000 0.986 331 L CA -1.251 53.502 54.840 -0.146 0.000 0.820 331 L CB 1.470 43.538 42.059 0.015 0.000 1.303 331 L HN 0.752 nan 8.230 nan 0.000 0.411 332 I N 4.804 125.375 120.570 0.001 0.000 2.545 332 I HA 0.439 4.609 4.170 0.000 0.000 0.292 332 I C -0.955 175.179 176.117 0.029 0.000 1.040 332 I CA -0.912 60.393 61.300 0.009 0.000 1.068 332 I CB 2.193 40.209 38.000 0.028 0.000 1.251 332 I HN 0.186 nan 8.210 nan 0.000 0.424 333 V N 5.812 125.740 119.914 0.023 0.000 2.340 333 V HA 0.352 4.472 4.120 0.000 0.000 0.277 333 V C 0.156 176.275 176.094 0.041 0.000 1.017 333 V CA -0.599 61.720 62.300 0.032 0.000 0.820 333 V CB 1.121 32.962 31.823 0.031 0.000 1.028 333 V HN 0.648 nan 8.190 nan 0.000 0.436 334 R N 2.416 122.940 120.500 0.041 0.000 2.288 334 R HA 0.365 4.705 4.340 0.000 0.000 0.330 334 R C 0.196 176.615 176.300 0.198 0.000 1.069 334 R CA 0.130 56.277 56.100 0.078 0.000 0.941 334 R CB 0.823 31.078 30.300 -0.075 0.000 0.998 334 R HN 0.671 nan 8.270 nan 0.000 0.452 335 S N 6.146 121.985 115.700 0.233 0.000 2.456 335 S HA 0.433 4.903 4.470 0.000 0.000 0.316 335 S C -2.338 172.274 174.600 0.020 0.000 1.089 335 S CA -1.871 56.392 58.200 0.104 0.000 1.101 335 S CB 1.277 64.491 63.200 0.024 0.000 0.995 335 S HN 0.421 nan 8.310 nan 0.000 0.468 336 P HA 0.369 nan 4.420 nan 0.000 0.264 336 P C 0.431 177.491 177.300 -0.399 0.000 1.193 336 P CA 0.809 63.542 63.100 -0.610 0.000 0.763 336 P CB 0.183 31.618 31.700 -0.441 0.000 0.810 337 G N 1.493 110.032 108.800 -0.435 0.000 2.619 337 G HA2 0.329 4.289 3.960 0.000 0.000 0.686 337 G HA3 0.329 4.289 3.960 0.000 0.000 0.686 337 G C -0.675 174.119 174.900 -0.176 0.000 1.256 337 G CA -0.489 44.471 45.100 -0.234 0.000 0.826 337 G HN 0.751 nan 8.290 nan 0.000 0.619 338 G N -1.320 107.405 108.800 -0.125 0.000 2.658 338 G HA2 0.779 4.739 3.960 0.000 0.000 0.292 338 G HA3 0.779 4.739 3.960 0.000 0.000 0.292 338 G C -0.050 174.844 174.900 -0.010 0.000 1.320 338 G CA -1.018 43.986 45.100 -0.160 0.000 0.933 338 G HN 0.952 nan 8.290 nan 0.000 0.476 339 F N 1.633 121.573 119.950 -0.017 0.000 2.579 339 F HA 0.047 4.574 4.527 0.000 0.000 0.397 339 F C -0.978 174.812 175.800 -0.018 0.000 1.027 339 F CA -0.986 57.003 58.000 -0.018 0.000 1.217 339 F CB 0.287 39.281 39.000 -0.011 0.000 0.986 339 F HN 0.095 nan 8.300 nan 0.000 0.551 340 P HA 0.015 nan 4.420 nan 0.000 0.267 340 P C -0.526 176.822 177.300 0.081 0.000 1.209 340 P CA -0.267 62.883 63.100 0.082 0.000 0.763 340 P CB 0.798 32.525 31.700 0.045 0.000 0.816 341 A N 3.493 126.350 122.820 0.062 0.000 2.802 341 A HA 0.218 4.538 4.320 0.000 0.000 0.291 341 A C 1.306 178.917 177.584 0.045 0.000 1.609 341 A CA 1.044 53.113 52.037 0.054 0.000 1.132 341 A CB -1.631 17.393 19.000 0.039 0.000 0.930 341 A HN 0.777 nan 8.150 nan 0.000 0.583 342 A N 1.773 124.621 122.820 0.047 0.000 2.435 342 A HA 0.173 4.493 4.320 0.000 0.000 0.212 342 A C 0.114 177.704 177.584 0.010 0.000 2.733 342 A CA 0.048 52.100 52.037 0.026 0.000 1.528 342 A CB -0.390 18.622 19.000 0.020 0.000 0.652 342 A HN 0.666 nan 8.150 nan 0.000 0.495 343 I N 1.999 122.577 120.570 0.012 0.000 2.353 343 I HA 0.571 4.741 4.170 0.000 0.000 0.293 343 I C 0.597 176.697 176.117 -0.027 0.000 0.992 343 I CA 0.241 61.499 61.300 -0.069 0.000 1.268 343 I CB 0.704 38.601 38.000 -0.171 0.000 1.387 343 I HN 0.311 nan 8.210 nan 0.000 0.478 344 T N 2.518 117.022 114.554 -0.084 0.000 2.927 344 T HA 0.224 4.574 4.350 0.000 0.000 0.286 344 T C 1.086 175.739 174.700 -0.078 0.000 1.040 344 T CA -0.317 61.802 62.100 0.032 0.000 1.010 344 T CB 1.649 70.541 68.868 0.039 0.000 1.177 344 T HN 0.603 nan 8.240 nan 0.000 0.546 345 S N 0.037 115.819 115.700 0.137 0.000 2.474 345 S HA -0.015 4.455 4.470 0.000 0.000 0.235 345 S C 1.129 175.745 174.600 0.026 0.000 0.997 345 S CA 1.147 59.436 58.200 0.148 0.000 0.949 345 S CB -0.335 63.012 63.200 0.245 0.000 0.766 345 S HN 0.649 nan 8.310 nan 0.000 0.517 346 E N 1.005 121.207 120.200 0.004 0.000 2.476 346 E HA 0.252 4.602 4.350 0.000 0.000 0.196 346 E C 0.227 176.798 176.600 -0.049 0.000 1.029 346 E CA -0.009 56.386 56.400 -0.009 0.000 0.896 346 E CB 0.112 29.816 29.700 0.007 0.000 1.012 346 E HN 0.519 nan 8.360 nan 0.000 0.475 347 N N -0.033 118.609 118.700 -0.097 0.000 2.703 347 N HA 0.140 4.880 4.740 0.000 0.000 0.283 347 N C -0.325 175.070 175.510 -0.191 0.000 1.851 347 N CA 0.027 53.006 53.050 -0.118 0.000 0.826 347 N CB 0.573 39.001 38.487 -0.099 0.000 1.239 347 N HN -0.145 nan 8.380 nan 0.000 0.495 348 V N 0.581 120.381 119.914 -0.190 0.000 3.029 348 V HA 0.093 4.213 4.120 0.000 0.000 0.230 348 V C 1.455 177.439 176.094 -0.183 0.000 1.254 348 V CA 0.163 62.319 62.300 -0.239 0.000 1.276 348 V CB 0.071 31.738 31.823 -0.261 0.000 1.080 348 V HN 0.307 nan 8.190 nan 0.000 0.495 349 L N 2.040 123.155 121.223 -0.181 0.000 2.721 349 L HA -0.000 4.340 4.340 0.000 0.000 0.241 349 L C 1.867 178.657 176.870 -0.133 0.000 1.168 349 L CA 1.812 56.520 54.840 -0.220 0.000 0.866 349 L CB -0.907 40.987 42.059 -0.275 0.000 0.996 349 L HN 0.587 nan 8.230 nan 0.000 0.451 350 S N -3.530 112.125 115.700 -0.074 0.000 2.769 350 S HA 0.124 4.594 4.470 0.000 0.000 0.258 350 S C 0.791 175.445 174.600 0.089 0.000 1.080 350 S CA -0.459 57.762 58.200 0.034 0.000 0.943 350 S CB -0.331 62.889 63.200 0.032 0.000 0.893 350 S HN 0.334 nan 8.310 nan 0.000 0.490 351 N N 2.176 120.871 118.700 -0.008 0.000 2.412 351 N HA 0.129 4.869 4.740 0.000 0.000 0.258 351 N C 0.654 176.173 175.510 0.015 0.000 1.236 351 N CA 0.102 53.153 53.050 0.002 0.000 0.882 351 N CB 0.512 38.949 38.487 -0.083 0.000 1.066 351 N HN 0.118 nan 8.380 nan 0.000 0.465 352 R N 2.088 122.631 120.500 0.071 0.000 2.476 352 R HA 0.319 4.659 4.340 0.000 0.000 0.276 352 R C -0.035 176.301 176.300 0.060 0.000 0.941 352 R CA -0.304 55.818 56.100 0.037 0.000 1.088 352 R CB -0.690 29.614 30.300 0.006 0.000 1.216 352 R HN 0.549 nan 8.270 nan 0.000 0.533 353 A N 1.172 124.033 122.820 0.068 0.000 2.332 353 A HA 0.709 5.030 4.320 0.000 0.000 0.258 353 A C -0.103 177.549 177.584 0.114 0.000 1.087 353 A CA 0.121 52.205 52.037 0.078 0.000 0.802 353 A CB 0.489 19.526 19.000 0.061 0.000 1.042 353 A HN 0.265 nan 8.150 nan 0.000 0.489 354 A N 0.256 123.143 122.820 0.111 0.000 2.469 354 A HA 0.662 4.982 4.320 0.000 0.000 0.299 354 A C 0.930 178.522 177.584 0.014 0.000 1.098 354 A CA -0.484 51.626 52.037 0.122 0.000 0.737 354 A CB 0.994 20.012 19.000 0.029 0.000 1.312 354 A HN 0.925 nan 8.150 nan 0.000 0.414 355 R N -0.637 119.814 120.500 -0.081 0.000 2.115 355 R HA -0.024 4.316 4.340 0.000 0.000 0.226 355 R C -0.749 175.277 176.300 -0.458 0.000 1.100 355 R CA 1.412 57.321 56.100 -0.319 0.000 0.980 355 R CB -0.085 29.906 30.300 -0.516 0.000 0.875 355 R HN 0.663 nan 8.270 nan 0.000 0.445 356 Y N -0.315 119.991 120.300 0.010 0.000 2.748 356 Y HA 0.348 4.898 4.550 0.000 0.000 0.359 356 Y C -1.978 173.924 175.900 0.004 0.000 1.030 356 Y CA -3.229 54.874 58.100 0.005 0.000 1.169 356 Y CB 1.537 40.007 38.460 0.017 0.000 1.127 356 Y HN 0.044 nan 8.280 nan 0.000 0.644 357 P HA -0.286 nan 4.420 nan 0.000 0.216 357 P C 1.581 179.027 177.300 0.243 0.000 1.157 357 P CA 2.659 65.880 63.100 0.202 0.000 0.880 357 P CB 0.431 32.280 31.700 0.249 0.000 0.791 358 A N -0.141 122.798 122.820 0.200 0.000 1.873 358 A HA -0.214 4.106 4.320 0.000 0.000 0.218 358 A C 2.209 179.739 177.584 -0.089 0.000 1.193 358 A CA 1.598 53.579 52.037 -0.094 0.000 0.629 358 A CB -1.767 17.002 19.000 -0.386 0.000 0.826 358 A HN 0.142 nan 8.150 nan 0.000 0.447 359 L N -0.394 120.820 121.223 -0.016 0.000 2.012 359 L HA -0.209 4.131 4.340 0.000 0.000 0.210 359 L C 2.799 179.771 176.870 0.169 0.000 1.073 359 L CA 2.567 57.428 54.840 0.036 0.000 0.748 359 L CB -1.359 40.734 42.059 0.058 0.000 0.891 359 L HN 0.445 nan 8.230 nan 0.000 0.431 360 A N -0.370 122.524 122.820 0.123 0.000 1.908 360 A HA -0.318 4.002 4.320 0.000 0.000 0.218 360 A C 2.001 179.684 177.584 0.165 0.000 1.181 360 A CA 2.126 54.222 52.037 0.098 0.000 0.627 360 A CB -0.813 18.204 19.000 0.029 0.000 0.818 360 A HN 0.588 nan 8.150 nan 0.000 0.445 361 D N -0.783 119.720 120.400 0.171 0.000 2.084 361 D HA -0.143 4.497 4.640 0.000 0.000 0.194 361 D C 1.772 178.160 176.300 0.147 0.000 0.990 361 D CA 1.274 55.390 54.000 0.192 0.000 0.826 361 D CB -0.250 40.770 40.800 0.367 0.000 0.971 361 D HN 0.195 nan 8.370 nan 0.000 0.453 362 L N -0.218 121.044 121.223 0.065 0.000 2.089 362 L HA -0.221 4.120 4.340 0.000 0.000 0.213 362 L C 1.850 178.714 176.870 -0.009 0.000 1.079 362 L CA 1.719 56.552 54.840 -0.012 0.000 0.758 362 L CB -0.884 41.102 42.059 -0.121 0.000 0.891 362 L HN 0.234 nan 8.230 nan 0.000 0.433 363 Y N -0.954 119.347 120.300 0.002 0.000 2.242 363 Y HA -0.138 4.412 4.550 0.000 0.000 0.291 363 Y C 2.758 178.675 175.900 0.029 0.000 1.137 363 Y CA 1.314 59.415 58.100 0.002 0.000 1.181 363 Y CB -0.146 38.304 38.460 -0.016 0.000 0.989 363 Y HN 0.083 nan 8.280 nan 0.000 0.527 364 R N -0.291 120.321 120.500 0.187 0.000 2.075 364 R HA -0.137 4.203 4.340 0.000 0.000 0.232 364 R C 2.398 178.768 176.300 0.117 0.000 1.126 364 R CA 1.067 57.240 56.100 0.121 0.000 0.963 364 R CB -0.610 29.741 30.300 0.086 0.000 0.858 364 R HN 0.350 nan 8.270 nan 0.000 0.435 365 A N 1.175 124.071 122.820 0.127 0.000 1.883 365 A HA -0.136 4.184 4.320 0.000 0.000 0.217 365 A C 1.923 179.650 177.584 0.238 0.000 1.186 365 A CA 1.033 53.163 52.037 0.155 0.000 0.624 365 A CB -0.450 18.629 19.000 0.131 0.000 0.822 365 A HN 0.140 nan 8.150 nan 0.000 0.444 366 L N -0.588 120.752 121.223 0.195 0.000 2.642 366 L HA -0.002 4.339 4.340 0.000 0.000 0.236 366 L C 1.859 178.905 176.870 0.294 0.000 1.169 366 L CA 1.599 56.610 54.840 0.285 0.000 0.851 366 L CB -1.780 40.356 42.059 0.129 0.000 0.968 366 L HN 0.748 nan 8.230 nan 0.000 0.453 367 G N -0.819 108.096 108.800 0.192 0.000 2.153 367 G HA2 -0.311 3.649 3.960 0.000 0.000 0.252 367 G HA3 -0.311 3.649 3.960 0.000 0.000 0.252 367 G C 0.829 175.783 174.900 0.090 0.000 0.994 367 G CA 0.482 45.656 45.100 0.122 0.000 0.698 367 G HN 0.330 nan 8.290 nan 0.000 0.521 368 L N -0.320 120.955 121.223 0.087 0.000 2.558 368 L HA 0.450 4.790 4.340 0.000 0.000 0.225 368 L C 1.578 178.459 176.870 0.018 0.000 1.128 368 L CA 1.413 56.262 54.840 0.015 0.000 0.868 368 L CB 0.288 42.365 42.059 0.030 0.000 1.006 368 L HN 0.792 nan 8.230 nan 0.000 0.454 369 V N -5.686 114.256 119.914 0.047 0.000 3.076 369 V HA 0.704 4.824 4.120 0.000 0.000 0.311 369 V C -1.063 175.036 176.094 0.008 0.000 1.346 369 V CA -1.079 61.232 62.300 0.019 0.000 1.056 369 V CB 1.752 33.593 31.823 0.030 0.000 1.093 369 V HN 0.010 nan 8.190 nan 0.000 0.468 370 D N -1.026 119.367 120.400 -0.011 0.000 2.627 370 D HA 0.501 5.141 4.640 0.000 0.000 0.259 370 D C 0.703 176.983 176.300 -0.033 0.000 1.164 370 D CA -0.612 53.372 54.000 -0.027 0.000 1.087 370 D CB 0.792 41.566 40.800 -0.045 0.000 1.217 370 D HN 0.592 nan 8.370 nan 0.000 0.630 371 K N -0.893 119.473 120.400 -0.058 0.000 2.000 371 K HA -0.253 4.067 4.320 0.000 0.000 0.218 371 K C 1.176 177.736 176.600 -0.067 0.000 1.053 371 K CA 2.189 58.431 56.287 -0.074 0.000 0.946 371 K CB -0.075 32.358 32.500 -0.111 0.000 0.723 371 K HN 0.370 nan 8.250 nan 0.000 0.446 372 Q N -3.592 116.156 119.800 -0.086 0.000 1.571 372 Q HA 0.009 4.349 4.340 0.000 0.000 0.147 372 Q C 1.553 177.488 176.000 -0.108 0.000 0.532 372 Q CA 0.826 56.586 55.803 -0.071 0.000 0.875 372 Q CB -0.743 27.956 28.738 -0.065 0.000 0.924 372 Q HN 0.141 nan 8.270 nan 0.000 0.195 373 G N 1.258 109.964 108.800 -0.158 0.000 2.450 373 G HA2 -0.153 3.807 3.960 0.000 0.000 0.220 373 G HA3 -0.153 3.807 3.960 0.000 0.000 0.220 373 G C 1.225 175.984 174.900 -0.236 0.000 1.130 373 G CA 1.600 46.577 45.100 -0.205 0.000 0.760 373 G HN 0.294 nan 8.290 nan 0.000 0.557 374 V N 1.595 121.390 119.914 -0.198 0.000 2.370 374 V HA -0.164 3.956 4.120 0.000 0.000 0.252 374 V C 3.014 179.021 176.094 -0.144 0.000 1.068 374 V CA 1.990 64.184 62.300 -0.178 0.000 1.061 374 V CB -1.232 30.516 31.823 -0.124 0.000 0.656 374 V HN 0.435 nan 8.190 nan 0.000 0.455 375 G N -0.413 108.321 108.800 -0.111 0.000 2.616 375 G HA2 -0.220 3.740 3.960 0.000 0.000 0.215 375 G HA3 -0.220 3.740 3.960 0.000 0.000 0.215 375 G C 1.747 176.607 174.900 -0.067 0.000 1.284 375 G CA 1.015 46.071 45.100 -0.073 0.000 0.823 375 G HN 0.344 nan 8.290 nan 0.000 0.569 376 V N 1.165 121.033 119.914 -0.076 0.000 2.439 376 V HA -0.209 3.911 4.120 0.000 0.000 0.253 376 V C 2.385 178.462 176.094 -0.029 0.000 1.074 376 V CA 3.089 65.370 62.300 -0.033 0.000 1.076 376 V CB -0.519 31.256 31.823 -0.081 0.000 0.664 376 V HN 0.346 nan 8.190 nan 0.000 0.461 377 D N -0.495 119.770 120.400 -0.224 0.000 2.084 377 D HA -0.033 4.607 4.640 0.000 0.000 0.196 377 D C 1.651 177.898 176.300 -0.087 0.000 0.985 377 D CA 0.779 54.523 54.000 -0.425 0.000 0.826 377 D CB -0.206 40.023 40.800 -0.952 0.000 0.978 377 D HN 0.488 nan 8.370 nan 0.000 0.456 381 Q N 2.867 122.846 119.800 0.299 0.000 2.217 381 Q HA -0.047 4.293 4.340 0.000 0.000 0.209 381 Q C 1.076 177.135 176.000 0.099 0.000 0.988 381 Q CA 1.621 57.532 55.803 0.180 0.000 0.878 381 Q CB -0.478 28.392 28.738 0.221 0.000 0.909 381 Q HN 0.372 nan 8.270 nan 0.000 0.424 385 A N 0.766 123.624 122.820 0.064 0.000 2.066 385 A HA 0.079 4.400 4.320 0.000 0.000 0.218 385 A C 1.876 179.484 177.584 0.040 0.000 1.157 385 A CA 1.378 53.456 52.037 0.069 0.000 0.670 385 A CB -0.302 18.733 19.000 0.058 0.000 0.804 385 A HN 0.293 nan 8.150 nan 0.000 0.453 386 L N -1.747 119.476 121.223 -0.000 0.000 2.607 386 L HA 0.325 4.665 4.340 0.000 0.000 0.228 386 L C 1.745 178.445 176.870 -0.284 0.000 1.123 386 L CA 1.148 55.924 54.840 -0.107 0.000 0.890 386 L CB 0.190 42.210 42.059 -0.065 0.000 1.103 386 L HN 0.535 nan 8.230 nan 0.000 0.468 387 G N -2.186 106.529 108.800 -0.142 0.000 2.234 387 G HA2 -0.247 3.713 3.960 0.000 0.000 0.235 387 G HA3 -0.247 3.713 3.960 0.000 0.000 0.235 387 G C 0.545 175.372 174.900 -0.121 0.000 0.997 387 G CA -0.002 45.028 45.100 -0.118 0.000 0.623 387 G HN 0.368 nan 8.290 nan 0.000 0.514 388 H N 1.399 120.481 119.070 0.019 0.000 2.660 388 H HA 0.417 4.973 4.556 0.000 0.000 0.374 388 H C 1.302 176.605 175.328 -0.043 0.000 1.291 388 H CA 0.601 56.625 56.048 -0.041 0.000 1.437 388 H CB 0.302 30.013 29.762 -0.085 0.000 1.509 388 H HN 0.673 nan 8.280 nan 0.000 0.614 389 R N 1.556 122.076 120.500 0.035 0.000 2.459 389 R HA 0.296 4.636 4.340 0.000 0.000 0.281 389 R C -2.436 173.741 176.300 -0.205 0.000 1.050 389 R CA -1.818 54.256 56.100 -0.043 0.000 1.055 389 R CB -0.359 29.921 30.300 -0.034 0.000 1.045 389 R HN 0.382 nan 8.270 nan 0.000 0.495 390 P HA 0.002 nan 4.420 nan 0.000 0.264 390 P C -2.229 174.762 177.300 -0.516 0.000 1.183 390 P CA -0.862 61.906 63.100 -0.554 0.000 0.763 390 P CB 0.017 31.369 31.700 -0.580 0.000 0.807 391 P HA -0.014 nan 4.420 nan 0.000 0.262 391 P C -0.087 177.027 177.300 -0.310 0.000 1.199 391 P CA 0.436 63.282 63.100 -0.423 0.000 0.763 391 P CB -0.120 31.348 31.700 -0.386 0.000 0.790 392 T N 2.659 117.126 114.554 -0.146 0.000 2.743 392 T HA 0.535 4.885 4.350 0.000 0.000 0.293 392 T C 0.285 174.997 174.700 0.020 0.000 0.945 392 T CA -0.797 61.284 62.100 -0.031 0.000 1.030 392 T CB 0.813 69.673 68.868 -0.013 0.000 0.912 392 T HN 0.424 nan 8.240 nan 0.000 0.483 393 I N 2.044 122.671 120.570 0.095 0.000 2.389 393 I HA 0.583 4.753 4.170 0.000 0.000 0.288 393 I C -0.468 175.769 176.117 0.201 0.000 0.999 393 I CA -0.564 60.818 61.300 0.138 0.000 1.129 393 I CB 1.325 39.429 38.000 0.173 0.000 1.288 393 I HN 0.771 nan 8.210 nan 0.000 0.444 394 E N 5.433 125.719 120.200 0.143 0.000 2.416 394 E HA 0.304 4.654 4.350 0.000 0.000 0.273 394 E C -1.577 174.973 176.600 -0.085 0.000 0.935 394 E CA -0.823 55.636 56.400 0.098 0.000 0.784 394 E CB 2.133 31.866 29.700 0.054 0.000 1.301 394 E HN 0.643 nan 8.360 nan 0.000 0.454 395 E N 3.029 123.078 120.200 -0.251 0.000 2.092 395 E HA 0.246 4.596 4.350 0.000 0.000 0.271 395 E C -0.520 175.986 176.600 -0.156 0.000 0.919 395 E CA -0.620 55.546 56.400 -0.389 0.000 0.760 395 E CB 0.584 29.838 29.700 -0.745 0.000 1.106 395 E HN 0.277 nan 8.360 nan 0.000 0.408 396 I N 2.431 122.962 120.570 -0.065 0.000 2.797 396 I HA 0.293 4.463 4.170 0.000 0.000 0.310 396 I C 0.773 176.910 176.117 0.032 0.000 0.990 396 I CA -0.753 60.544 61.300 -0.006 0.000 1.228 396 I CB 0.917 38.919 38.000 0.002 0.000 1.406 396 I HN 0.587 nan 8.210 nan 0.000 0.534 397 A N 2.077 124.919 122.820 0.037 0.000 2.425 397 A HA 0.563 4.883 4.320 0.000 0.000 0.249 397 A C 0.818 178.488 177.584 0.143 0.000 1.084 397 A CA 0.713 52.782 52.037 0.053 0.000 0.781 397 A CB 0.226 19.246 19.000 0.033 0.000 1.019 397 A HN 1.075 nan 8.150 nan 0.000 0.490 398 G N 1.735 110.606 108.800 0.118 0.000 4.386 398 G HA2 0.141 4.101 3.960 0.000 0.000 0.183 398 G HA3 0.141 4.101 3.960 0.000 0.000 0.183 398 G C -1.824 173.067 174.900 -0.015 0.000 1.226 398 G CA 0.350 45.551 45.100 0.168 0.000 0.926 398 G HN 0.825 nan 8.290 nan 0.000 0.306 399 P HA 0.688 nan 4.420 nan 0.000 0.272 399 P C -1.590 175.583 177.300 -0.211 0.000 1.240 399 P CA 0.201 63.240 63.100 -0.102 0.000 0.791 399 P CB 1.313 32.935 31.700 -0.131 0.000 0.978 400 F N -1.543 118.341 119.950 -0.109 0.000 2.690 400 F HA 0.242 4.769 4.527 0.000 0.000 0.311 400 F C -0.965 174.742 175.800 -0.153 0.000 1.111 400 F CA -0.641 57.297 58.000 -0.104 0.000 1.003 400 F CB 1.838 40.794 39.000 -0.073 0.000 1.283 400 F HN -0.031 nan 8.300 nan 0.000 0.442 401 V N 3.021 123.000 119.914 0.109 0.000 2.482 401 V HA 0.487 4.607 4.120 0.000 0.000 0.295 401 V C -0.961 175.172 176.094 0.065 0.000 1.026 401 V CA -0.752 61.540 62.300 -0.013 0.000 0.856 401 V CB 1.775 33.565 31.823 -0.056 0.000 1.001 401 V HN 0.677 nan 8.190 nan 0.000 0.424 402 E N 2.643 122.868 120.200 0.041 0.000 2.238 402 E HA 0.717 5.067 4.350 0.000 0.000 0.267 402 E C -1.120 175.502 176.600 0.037 0.000 0.887 402 E CA -0.735 55.688 56.400 0.039 0.000 0.769 402 E CB 2.276 31.983 29.700 0.012 0.000 1.187 402 E HN 0.444 nan 8.360 nan 0.000 0.416 403 T N 2.036 116.608 114.554 0.030 0.000 2.824 403 T HA 0.465 4.815 4.350 0.000 0.000 0.280 403 T C -0.577 174.112 174.700 -0.017 0.000 0.995 403 T CA -0.761 61.349 62.100 0.016 0.000 1.009 403 T CB 1.386 70.264 68.868 0.018 0.000 0.955 403 T HN 0.588 nan 8.240 nan 0.000 0.452 404 T N 1.802 116.328 114.554 -0.047 0.000 2.847 404 T HA 0.634 4.984 4.350 0.000 0.000 0.291 404 T C -0.792 173.829 174.700 -0.132 0.000 0.998 404 T CA -0.877 61.173 62.100 -0.084 0.000 0.967 404 T CB 0.548 69.365 68.868 -0.085 0.000 0.954 404 T HN 0.162 nan 8.240 nan 0.000 0.441 405 L N 3.157 124.289 121.223 -0.151 0.000 2.313 405 L HA 0.600 4.940 4.340 0.000 0.000 0.283 405 L C -0.259 176.458 176.870 -0.256 0.000 1.013 405 L CA -0.821 53.904 54.840 -0.192 0.000 0.816 405 L CB 1.967 43.932 42.059 -0.156 0.000 1.236 405 L HN 0.558 nan 8.230 nan 0.000 0.419 406 V N 3.308 123.055 119.914 -0.278 0.000 2.311 406 V HA 0.703 4.823 4.120 0.000 0.000 0.275 406 V C 0.718 176.560 176.094 -0.421 0.000 1.022 406 V CA -0.335 61.768 62.300 -0.327 0.000 0.830 406 V CB 0.722 32.358 31.823 -0.311 0.000 1.012 406 V HN 0.889 nan 8.190 nan 0.000 0.452 407 G N 2.820 111.327 108.800 -0.488 0.000 2.695 407 G HA2 0.871 4.831 3.960 0.000 0.000 0.213 407 G HA3 0.871 4.831 3.960 0.000 0.000 0.213 407 G C 0.191 174.827 174.900 -0.440 0.000 1.406 407 G CA -0.118 44.563 45.100 -0.698 0.000 1.049 407 G HN 1.413 nan 8.290 nan 0.000 0.573 408 G N -1.642 107.012 108.800 -0.243 0.000 2.331 408 G HA2 0.044 4.004 3.960 0.000 0.000 0.479 408 G HA3 0.044 4.004 3.960 0.000 0.000 0.479 408 G C -0.436 174.577 174.900 0.188 0.000 1.262 408 G CA -0.637 44.467 45.100 0.007 0.000 1.029 408 G HN 0.616 nan 8.290 nan 0.000 0.487 409 R N 1.422 122.005 120.500 0.138 0.000 2.585 409 R HA 0.310 4.650 4.340 0.000 0.000 0.275 409 R C -1.704 174.672 176.300 0.127 0.000 1.018 409 R CA -0.235 55.935 56.100 0.118 0.000 1.072 409 R CB 0.297 30.635 30.300 0.063 0.000 0.953 409 R HN 0.440 nan 8.270 nan 0.000 0.419 410 P HA -0.001 nan 4.420 nan 0.000 0.279 410 P C -0.614 176.639 177.300 -0.080 0.000 1.239 410 P CA -0.263 62.783 63.100 -0.088 0.000 0.789 410 P CB 1.270 32.950 31.700 -0.033 0.000 0.933 411 V N 5.851 125.686 119.914 -0.130 0.000 2.370 411 V HA -0.044 4.076 4.120 0.000 0.000 0.257 411 V C 1.670 177.727 176.094 -0.061 0.000 1.064 411 V CA -0.181 62.071 62.300 -0.081 0.000 0.975 411 V CB -0.707 31.061 31.823 -0.090 0.000 1.067 411 V HN 0.371 nan 8.190 nan 0.000 0.485 412 L N 8.438 129.637 121.223 -0.039 0.000 2.011 412 L HA -0.118 4.222 4.340 0.000 0.000 0.225 412 L C 0.296 177.148 176.870 -0.029 0.000 1.084 412 L CA 2.919 57.743 54.840 -0.027 0.000 0.791 412 L CB -2.633 39.415 42.059 -0.018 0.000 0.898 412 L HN 0.531 nan 8.230 nan 0.000 0.440 413 P HA -0.137 nan 4.420 nan 0.000 0.217 413 P C 2.048 179.322 177.300 -0.043 0.000 1.148 413 P CA 1.376 64.450 63.100 -0.044 0.000 0.828 413 P CB 0.005 31.666 31.700 -0.065 0.000 0.783 414 V N 0.079 119.962 119.914 -0.052 0.000 2.453 414 V HA -0.176 3.944 4.120 0.000 0.000 0.247 414 V C 2.789 178.896 176.094 0.022 0.000 1.048 414 V CA 1.354 63.643 62.300 -0.019 0.000 1.049 414 V CB -1.018 30.793 31.823 -0.021 0.000 0.672 414 V HN 0.021 nan 8.190 nan 0.000 0.457 415 L N 0.501 121.725 121.223 0.002 0.000 2.093 415 L HA -0.165 4.175 4.340 0.000 0.000 0.208 415 L C 2.631 179.512 176.870 0.020 0.000 1.085 415 L CA 1.993 56.841 54.840 0.013 0.000 0.755 415 L CB -0.756 41.304 42.059 0.002 0.000 0.904 415 L HN 0.542 nan 8.230 nan 0.000 0.435 416 E N 0.497 120.704 120.200 0.012 0.000 2.208 416 E HA -0.209 4.141 4.350 0.000 0.000 0.193 416 E C 2.286 178.901 176.600 0.024 0.000 0.988 416 E CA 0.597 57.005 56.400 0.014 0.000 0.828 416 E CB -0.241 29.462 29.700 0.006 0.000 0.763 416 E HN 0.374 nan 8.360 nan 0.000 0.478 417 L N 1.452 122.695 121.223 0.032 0.000 2.093 417 L HA -0.083 4.257 4.340 0.000 0.000 0.208 417 L C 2.211 179.119 176.870 0.063 0.000 1.085 417 L CA 1.299 56.171 54.840 0.053 0.000 0.755 417 L CB -0.410 41.696 42.059 0.078 0.000 0.904 417 L HN 0.180 nan 8.230 nan 0.000 0.435 418 V N -0.156 119.796 119.914 0.063 0.000 2.379 418 V HA -0.164 3.956 4.120 0.000 0.000 0.245 418 V C 2.613 178.731 176.094 0.040 0.000 1.044 418 V CA 1.568 63.902 62.300 0.057 0.000 1.036 418 V CB -0.473 31.384 31.823 0.057 0.000 0.664 418 V HN 0.419 nan 8.190 nan 0.000 0.453 419 S N 0.339 116.059 115.700 0.034 0.000 2.500 419 S HA -0.128 4.342 4.470 0.000 0.000 0.239 419 S C 1.948 176.563 174.600 0.026 0.000 0.989 419 S CA 1.391 59.607 58.200 0.027 0.000 0.951 419 S CB -0.168 63.045 63.200 0.022 0.000 0.759 419 S HN 0.633 nan 8.310 nan 0.000 0.523 420 S N 0.663 116.381 115.700 0.029 0.000 2.517 420 S HA 0.261 4.731 4.470 0.000 0.000 0.214 420 S C 0.546 175.164 174.600 0.029 0.000 0.991 420 S CA -0.260 57.957 58.200 0.028 0.000 0.906 420 S CB 0.066 63.283 63.200 0.029 0.000 0.789 420 S HN 0.314 nan 8.310 nan 0.000 0.513 421 I N 3.166 123.755 120.570 0.032 0.000 2.826 421 I HA 0.029 4.199 4.170 0.000 0.000 0.295 421 I C -0.056 176.076 176.117 0.023 0.000 1.213 421 I CA 0.633 61.951 61.300 0.029 0.000 1.436 421 I CB -0.534 37.483 38.000 0.029 0.000 1.348 421 I HN -0.059 nan 8.210 nan 0.000 0.570 422 V N 8.104 128.031 119.914 0.021 0.000 2.733 422 V HA 0.331 4.451 4.120 0.000 0.000 0.306 422 V C -2.176 173.928 176.094 0.016 0.000 1.084 422 V CA -1.466 60.845 62.300 0.018 0.000 0.905 422 V CB 2.423 34.258 31.823 0.019 0.000 1.010 422 V HN 0.623 nan 8.190 nan 0.000 0.424 423 P HA 0.060 nan 4.420 nan 0.000 0.269 423 P C 0.653 177.961 177.300 0.015 0.000 1.209 423 P CA 0.201 63.309 63.100 0.014 0.000 0.776 423 P CB 1.284 32.992 31.700 0.012 0.000 0.876 424 E N 2.453 122.662 120.200 0.015 0.000 2.171 424 E HA -0.232 4.118 4.350 0.000 0.000 0.197 424 E C 1.727 178.337 176.600 0.016 0.000 0.997 424 E CA 1.494 57.904 56.400 0.016 0.000 0.810 424 E CB -0.381 29.328 29.700 0.015 0.000 0.738 424 E HN 0.545 nan 8.360 nan 0.000 0.467 425 A N 0.528 123.357 122.820 0.014 0.000 2.216 425 A HA -0.066 4.254 4.320 0.000 0.000 0.214 425 A C 1.866 179.459 177.584 0.016 0.000 1.160 425 A CA 0.556 52.602 52.037 0.014 0.000 0.725 425 A CB -0.222 18.785 19.000 0.012 0.000 0.784 425 A HN 0.146 nan 8.150 nan 0.000 0.472 426 R N -1.005 119.504 120.500 0.015 0.000 2.276 426 R HA 0.032 4.372 4.340 0.000 0.000 0.196 426 R C 1.911 178.222 176.300 0.017 0.000 0.961 426 R CA 0.424 56.532 56.100 0.013 0.000 1.024 426 R CB -0.061 30.243 30.300 0.008 0.000 0.940 426 R HN 0.678 nan 8.270 nan 0.000 0.480 427 Q N 1.098 120.910 119.800 0.021 0.000 1.985 427 Q HA -0.186 4.154 4.340 0.000 0.000 0.207 427 Q C 0.919 176.938 176.000 0.031 0.000 0.996 427 Q CA 1.827 57.646 55.803 0.027 0.000 0.851 427 Q CB -0.109 28.646 28.738 0.028 0.000 0.921 427 Q HN 0.406 nan 8.270 nan 0.000 0.418 428 D N 0.489 120.909 120.400 0.033 0.000 2.504 428 D HA -0.064 4.576 4.640 0.000 0.000 0.243 428 D C -0.534 175.798 176.300 0.053 0.000 1.203 428 D CA 0.153 54.179 54.000 0.043 0.000 0.847 428 D CB -0.236 40.587 40.800 0.038 0.000 0.973 428 D HN 0.019 nan 8.370 nan 0.000 0.490 429 D N 0.593 121.021 120.400 0.046 0.000 2.339 429 D HA -0.049 4.591 4.640 0.000 0.000 0.241 429 D C 0.948 177.294 176.300 0.077 0.000 1.183 429 D CA -0.757 53.277 54.000 0.056 0.000 0.859 429 D CB 0.439 41.256 40.800 0.027 0.000 1.067 429 D HN 0.145 nan 8.370 nan 0.000 0.484 430 Y N 5.206 125.495 120.300 -0.018 0.000 2.132 430 Y HA -0.378 4.172 4.550 0.000 0.000 0.280 430 Y C 1.729 177.610 175.900 -0.032 0.000 1.193 430 Y CA 1.862 59.949 58.100 -0.022 0.000 1.157 430 Y CB 0.201 38.641 38.460 -0.034 0.000 0.966 430 Y HN 0.367 nan 8.280 nan 0.000 0.511 431 R N 0.398 120.846 120.500 -0.088 0.000 2.088 431 R HA -0.167 4.173 4.340 0.000 0.000 0.232 431 R C 2.238 178.409 176.300 -0.216 0.000 1.136 431 R CA 2.113 58.091 56.100 -0.204 0.000 0.926 431 R CB -1.188 29.071 30.300 -0.068 0.000 0.837 431 R HN 0.642 nan 8.270 nan 0.000 0.429 432 I N -0.727 119.768 120.570 -0.126 0.000 2.335 432 I HA -0.143 4.027 4.170 0.000 0.000 0.251 432 I C 2.029 178.058 176.117 -0.147 0.000 1.129 432 I CA 1.613 62.843 61.300 -0.117 0.000 1.402 432 I CB -0.744 37.218 38.000 -0.064 0.000 1.069 432 I HN 0.108 nan 8.210 nan 0.000 0.424 433 A N 1.718 124.445 122.820 -0.155 0.000 1.858 433 A HA -0.102 4.218 4.320 0.000 0.000 0.216 433 A C 2.299 179.761 177.584 -0.204 0.000 1.190 433 A CA 2.182 54.130 52.037 -0.148 0.000 0.617 433 A CB -0.904 18.037 19.000 -0.098 0.000 0.827 433 A HN 0.493 nan 8.150 nan 0.000 0.443 434 I N -0.106 120.272 120.570 -0.321 0.000 2.226 434 I HA -0.182 3.988 4.170 0.000 0.000 0.245 434 I C 2.542 178.551 176.117 -0.179 0.000 1.100 434 I CA 1.208 62.348 61.300 -0.267 0.000 1.374 434 I CB -1.398 36.350 38.000 -0.421 0.000 1.057 434 I HN 0.135 nan 8.210 nan 0.000 0.413 435 V N 1.189 120.982 119.914 -0.202 0.000 2.233 435 V HA -0.280 3.840 4.120 0.000 0.000 0.247 435 V C 2.665 178.632 176.094 -0.210 0.000 1.050 435 V CA 1.655 63.853 62.300 -0.171 0.000 1.010 435 V CB -0.579 31.150 31.823 -0.156 0.000 0.637 435 V HN 0.310 nan 8.190 nan 0.000 0.444 436 L N -1.283 119.779 121.223 -0.268 0.000 2.012 436 L HA -0.274 4.066 4.340 0.000 0.000 0.210 436 L C 2.493 178.763 176.870 -0.999 0.000 1.073 436 L CA 2.403 56.949 54.840 -0.490 0.000 0.748 436 L CB -0.696 41.108 42.059 -0.424 0.000 0.891 436 L HN 0.433 nan 8.230 nan 0.000 0.431 437 Y N 0.304 120.084 120.300 -0.865 0.000 2.256 437 Y HA -0.262 4.288 4.550 0.000 0.000 0.288 437 Y C 2.356 178.061 175.900 -0.326 0.000 1.155 437 Y CA 1.309 58.982 58.100 -0.712 0.000 1.203 437 Y CB 0.003 38.303 38.460 -0.267 0.000 0.980 437 Y HN 0.058 nan 8.280 nan 0.000 0.530 438 L N -0.405 120.673 121.223 -0.242 0.000 2.027 438 L HA -0.237 4.103 4.340 0.000 0.000 0.206 438 L C 2.006 178.774 176.870 -0.170 0.000 1.074 438 L CA 1.073 55.800 54.840 -0.189 0.000 0.745 438 L CB -0.475 41.513 42.059 -0.119 0.000 0.898 438 L HN 0.244 nan 8.230 nan 0.000 0.433 439 L N -0.864 120.282 121.223 -0.129 0.000 2.675 439 L HA -0.122 4.218 4.340 0.000 0.000 0.238 439 L C 1.581 178.700 176.870 0.415 0.000 1.155 439 L CA 0.108 55.002 54.840 0.090 0.000 0.881 439 L CB -0.290 41.846 42.059 0.127 0.000 1.008 439 L HN 0.234 nan 8.230 nan 0.000 0.443 440 F N -0.761 119.169 119.950 -0.032 0.000 2.622 440 F HA 0.067 4.594 4.527 0.000 0.000 0.288 440 F C 2.349 178.130 175.800 -0.032 0.000 1.120 440 F CA 0.211 58.184 58.000 -0.046 0.000 1.423 440 F CB -0.155 38.729 39.000 -0.194 0.000 1.127 440 F HN 0.101 nan 8.300 nan 0.000 0.588 441 Q N 0.252 120.076 119.800 0.039 0.000 2.287 441 Q HA 0.152 4.492 4.340 0.000 0.000 0.201 441 Q C 0.692 176.698 176.000 0.010 0.000 0.946 441 Q CA 0.606 56.403 55.803 -0.010 0.000 0.868 441 Q CB 0.177 28.824 28.738 -0.152 0.000 0.967 441 Q HN 0.242 nan 8.270 nan 0.000 0.516 442 R N 1.489 121.913 120.500 -0.127 0.000 2.598 442 R HA 0.224 4.564 4.340 0.000 0.000 0.279 442 R C -1.676 174.195 176.300 -0.714 0.000 0.984 442 R CA -1.661 54.234 56.100 -0.341 0.000 0.999 442 R CB 0.832 30.901 30.300 -0.385 0.000 1.114 442 R HN -0.037 nan 8.270 nan 0.000 0.493 443 P HA -0.073 nan 4.420 nan 0.000 0.224 443 P C -0.365 176.789 177.300 -0.243 0.000 1.157 443 P CA 1.103 63.474 63.100 -1.214 0.000 0.799 443 P CB 0.240 31.581 31.700 -0.599 0.000 0.809 444 F N -1.182 118.647 119.950 -0.202 0.000 2.613 444 F HA 0.745 5.272 4.527 0.000 0.000 0.310 444 F C -1.405 174.385 175.800 -0.017 0.000 1.085 444 F CA -2.116 55.864 58.000 -0.034 0.000 0.945 444 F CB 0.788 39.809 39.000 0.035 0.000 1.298 444 F HN -0.343 nan 8.300 nan 0.000 0.455 445 I N 1.692 122.282 120.570 0.034 0.000 2.569 445 I HA 0.693 4.863 4.170 0.000 0.000 0.296 445 I C -0.695 175.544 176.117 0.202 0.000 1.028 445 I CA -0.061 61.216 61.300 -0.038 0.000 1.082 445 I CB 2.205 40.208 38.000 0.005 0.000 1.264 445 I HN 0.920 nan 8.210 nan 0.000 0.429 446 T N 5.945 120.572 114.554 0.122 0.000 2.916 446 T HA 0.371 4.721 4.350 0.000 0.000 0.292 446 T C 1.234 176.028 174.700 0.156 0.000 1.055 446 T CA -0.477 61.756 62.100 0.221 0.000 1.009 446 T CB 1.003 69.981 68.868 0.182 0.000 1.118 446 T HN 0.601 nan 8.240 nan 0.000 0.497 447 I N 1.907 122.602 120.570 0.208 0.000 2.236 447 I HA -0.252 3.918 4.170 0.000 0.000 0.249 447 I C 1.369 177.520 176.117 0.057 0.000 1.102 447 I CA 2.234 63.608 61.300 0.124 0.000 1.365 447 I CB 0.095 38.186 38.000 0.151 0.000 1.051 447 I HN 0.741 nan 8.210 nan 0.000 0.420 448 D N -0.218 120.213 120.400 0.053 0.000 2.123 448 D HA -0.155 4.485 4.640 0.000 0.000 0.200 448 D C 2.251 178.553 176.300 0.003 0.000 0.976 448 D CA 1.504 55.518 54.000 0.024 0.000 0.831 448 D CB -0.147 40.667 40.800 0.022 0.000 0.974 448 D HN 0.234 nan 8.370 nan 0.000 0.469 449 V N 0.622 120.532 119.914 -0.007 0.000 2.287 449 V HA -0.238 3.882 4.120 0.000 0.000 0.248 449 V C 2.474 178.544 176.094 -0.040 0.000 1.053 449 V CA 1.178 63.452 62.300 -0.044 0.000 1.027 449 V CB -0.654 31.106 31.823 -0.104 0.000 0.646 449 V HN 0.122 nan 8.190 nan 0.000 0.447 450 V N 0.510 120.404 119.914 -0.032 0.000 2.287 450 V HA -0.308 3.812 4.120 0.000 0.000 0.248 450 V C 2.782 178.853 176.094 -0.038 0.000 1.053 450 V CA 2.190 64.462 62.300 -0.047 0.000 1.027 450 V CB -1.337 30.455 31.823 -0.052 0.000 0.646 450 V HN 0.570 nan 8.190 nan 0.000 0.447 451 A N 0.045 122.852 122.820 -0.021 0.000 1.917 451 A HA -0.307 4.013 4.320 0.000 0.000 0.219 451 A C 2.341 179.915 177.584 -0.016 0.000 1.182 451 A CA 2.382 54.410 52.037 -0.015 0.000 0.633 451 A CB -0.573 18.424 19.000 -0.006 0.000 0.819 451 A HN 0.493 nan 8.150 nan 0.000 0.448 452 R N -0.523 119.968 120.500 -0.015 0.000 2.148 452 R HA -0.013 4.327 4.340 0.000 0.000 0.223 452 R C 2.102 178.398 176.300 -0.008 0.000 1.088 452 R CA 1.403 57.496 56.100 -0.011 0.000 0.985 452 R CB -0.658 29.637 30.300 -0.009 0.000 0.880 452 R HN 0.441 nan 8.270 nan 0.000 0.451 453 G N -0.083 108.708 108.800 -0.015 0.000 2.403 453 G HA2 -0.144 3.817 3.960 0.000 0.000 0.216 453 G HA3 -0.144 3.817 3.960 0.000 0.000 0.216 453 G C 1.232 176.116 174.900 -0.027 0.000 1.154 453 G CA 0.402 45.496 45.100 -0.010 0.000 0.784 453 G HN 0.276 nan 8.290 nan 0.000 0.538 454 L N -0.437 120.767 121.223 -0.032 0.000 2.492 454 L HA 0.103 4.443 4.340 0.000 0.000 0.223 454 L C 1.424 178.298 176.870 0.007 0.000 1.132 454 L CA 0.332 55.173 54.840 0.002 0.000 0.850 454 L CB -0.164 41.902 42.059 0.013 0.000 0.966 454 L HN 0.297 nan 8.230 nan 0.000 0.454 455 Q N -0.666 119.126 119.800 -0.014 0.000 2.468 455 Q HA -0.231 4.109 4.340 0.000 0.000 0.256 455 Q C 0.485 176.470 176.000 -0.025 0.000 0.984 455 Q CA 0.767 56.556 55.803 -0.024 0.000 1.110 455 Q CB -1.588 27.125 28.738 -0.041 0.000 1.527 455 Q HN 0.493 nan 8.270 nan 0.000 0.535 456 S N -1.533 114.159 115.700 -0.013 0.000 2.713 456 S HA 0.793 5.263 4.470 0.000 0.000 0.296 456 S C 0.619 175.199 174.600 -0.034 0.000 1.114 456 S CA -0.112 58.074 58.200 -0.022 0.000 0.997 456 S CB 1.545 64.754 63.200 0.016 0.000 1.249 456 S HN 0.382 nan 8.310 nan 0.000 0.534 457 G N 0.283 109.056 108.800 -0.044 0.000 2.535 457 G HA2 0.303 4.263 3.960 0.000 0.000 0.282 457 G HA3 0.303 4.263 3.960 0.000 0.000 0.282 457 G C 0.256 175.150 174.900 -0.010 0.000 1.350 457 G CA -0.353 44.726 45.100 -0.036 0.000 1.039 457 G HN 0.759 nan 8.290 nan 0.000 0.509 458 K N -0.646 119.755 120.400 0.002 0.000 2.211 458 K HA -0.045 4.275 4.320 0.000 0.000 0.203 458 K C 2.257 178.876 176.600 0.031 0.000 1.050 458 K CA 0.825 57.123 56.287 0.019 0.000 0.945 458 K CB 0.079 32.594 32.500 0.027 0.000 0.732 458 K HN 0.313 nan 8.250 nan 0.000 0.451 459 E N 1.006 121.228 120.200 0.037 0.000 2.017 459 E HA -0.150 4.200 4.350 0.000 0.000 0.193 459 E C 2.129 178.756 176.600 0.045 0.000 0.997 459 E CA 1.338 57.776 56.400 0.064 0.000 0.804 459 E CB -0.356 29.385 29.700 0.069 0.000 0.757 459 E HN 0.258 nan 8.360 nan 0.000 0.448 460 A N 1.510 124.344 122.820 0.024 0.000 1.917 460 A HA -0.228 4.092 4.320 0.000 0.000 0.219 460 A C 2.412 180.001 177.584 0.009 0.000 1.182 460 A CA 2.705 54.756 52.037 0.024 0.000 0.633 460 A CB -0.756 18.265 19.000 0.035 0.000 0.819 460 A HN 0.300 nan 8.150 nan 0.000 0.448 461 A N -0.510 122.310 122.820 0.001 0.000 1.845 461 A HA -0.182 4.138 4.320 0.000 0.000 0.215 461 A C 2.220 179.781 177.584 -0.039 0.000 1.195 461 A CA 2.007 54.031 52.037 -0.021 0.000 0.616 461 A CB -0.556 18.438 19.000 -0.010 0.000 0.832 461 A HN 0.531 nan 8.150 nan 0.000 0.443 462 R N -0.214 120.279 120.500 -0.010 0.000 2.103 462 R HA -0.231 4.109 4.340 0.000 0.000 0.242 462 R C 2.193 178.470 176.300 -0.039 0.000 1.142 462 R CA 2.071 58.159 56.100 -0.019 0.000 0.960 462 R CB -0.423 29.899 30.300 0.036 0.000 0.858 462 R HN 0.664 nan 8.270 nan 0.000 0.439 463 N N -0.099 118.602 118.700 0.001 0.000 2.043 463 N HA -0.163 4.577 4.740 0.000 0.000 0.193 463 N C 1.523 177.009 175.510 -0.041 0.000 1.037 463 N CA 2.103 55.157 53.050 0.007 0.000 0.851 463 N CB -0.400 38.108 38.487 0.036 0.000 1.027 463 N HN 0.322 nan 8.380 nan 0.000 0.422 464 A N 0.882 123.670 122.820 -0.054 0.000 1.859 464 A HA -0.158 4.162 4.320 0.000 0.000 0.217 464 A C 2.471 179.968 177.584 -0.145 0.000 1.198 464 A CA 1.659 53.644 52.037 -0.087 0.000 0.629 464 A CB -1.241 17.701 19.000 -0.097 0.000 0.830 464 A HN 0.412 nan 8.150 nan 0.000 0.446 465 L N -0.888 120.214 121.223 -0.201 0.000 2.013 465 L HA -0.249 4.091 4.340 0.000 0.000 0.212 465 L C 2.824 179.485 176.870 -0.349 0.000 1.073 465 L CA 1.708 56.332 54.840 -0.359 0.000 0.753 465 L CB -0.510 41.233 42.059 -0.527 0.000 0.890 465 L HN 0.395 nan 8.230 nan 0.000 0.432 466 E N -0.119 119.942 120.200 -0.232 0.000 2.058 466 E HA -0.248 4.103 4.350 0.000 0.000 0.194 466 E C 2.222 178.755 176.600 -0.113 0.000 0.997 466 E CA 1.560 57.869 56.400 -0.152 0.000 0.801 466 E CB -0.221 29.438 29.700 -0.067 0.000 0.746 466 E HN 0.503 nan 8.360 nan 0.000 0.450 467 A N 1.079 123.844 122.820 -0.092 0.000 1.902 467 A HA -0.098 4.222 4.320 0.000 0.000 0.217 467 A C 2.405 179.941 177.584 -0.079 0.000 1.181 467 A CA 2.165 54.164 52.037 -0.063 0.000 0.623 467 A CB -0.587 18.384 19.000 -0.047 0.000 0.818 467 A HN 0.286 nan 8.150 nan 0.000 0.443 468 A N -0.214 122.532 122.820 -0.124 0.000 1.858 468 A HA -0.188 4.132 4.320 0.000 0.000 0.216 468 A C 2.254 179.770 177.584 -0.114 0.000 1.190 468 A CA 1.831 53.792 52.037 -0.127 0.000 0.617 468 A CB -0.551 18.341 19.000 -0.181 0.000 0.827 468 A HN 0.539 nan 8.150 nan 0.000 0.443 469 R N -0.401 119.997 120.500 -0.170 0.000 2.127 469 R HA -0.160 4.180 4.340 0.000 0.000 0.238 469 R C 2.088 178.369 176.300 -0.032 0.000 1.134 469 R CA 1.759 57.796 56.100 -0.106 0.000 0.975 469 R CB -0.234 29.987 30.300 -0.133 0.000 0.865 469 R HN 0.688 nan 8.270 nan 0.000 0.447 470 Q N -0.507 119.269 119.800 -0.039 0.000 2.435 470 Q HA 0.015 4.355 4.340 0.000 0.000 0.207 470 Q C -0.133 175.865 176.000 -0.004 0.000 0.956 470 Q CA 0.601 56.397 55.803 -0.011 0.000 0.917 470 Q CB 0.624 29.355 28.738 -0.012 0.000 0.997 470 Q HN 0.220 nan 8.270 nan 0.000 0.497 471 T N 0.841 115.388 114.554 -0.011 0.000 2.889 471 T HA 0.239 4.589 4.350 0.000 0.000 0.291 471 T C -0.044 174.664 174.700 0.014 0.000 0.995 471 T CA -0.025 62.075 62.100 -0.000 0.000 1.092 471 T CB 1.613 70.476 68.868 -0.008 0.000 0.954 471 T HN -0.025 nan 8.240 nan 0.000 0.506 472 T N 1.408 115.974 114.554 0.020 0.000 2.887 472 T HA 0.680 5.030 4.350 0.000 0.000 0.288 472 T C -1.352 173.367 174.700 0.031 0.000 1.021 472 T CA -0.637 61.480 62.100 0.028 0.000 1.000 472 T CB 1.459 70.343 68.868 0.027 0.000 1.034 472 T HN 0.467 nan 8.240 nan 0.000 0.467 473 V N 3.876 123.813 119.914 0.037 0.000 2.808 473 V HA 0.669 4.789 4.120 0.000 0.000 0.308 473 V C 0.444 176.560 176.094 0.036 0.000 1.099 473 V CA 0.386 62.709 62.300 0.038 0.000 0.920 473 V CB 1.171 33.022 31.823 0.047 0.000 1.014 473 V HN 1.847 nan 8.190 nan 0.000 0.425 474 A N 4.331 127.170 122.820 0.031 0.000 2.829 474 A HA 0.002 4.322 4.320 0.000 0.000 0.267 474 A C 2.018 179.619 177.584 0.028 0.000 1.370 474 A CA 2.119 54.173 52.037 0.027 0.000 0.900 474 A CB -1.862 17.155 19.000 0.028 0.000 1.044 474 A HN 3.011 nan 8.150 nan 0.000 0.691 475 G N -3.789 105.028 108.800 0.029 0.000 2.159 475 G HA2 0.381 4.341 3.960 0.000 0.000 0.227 475 G HA3 0.381 4.341 3.960 0.000 0.000 0.227 475 G C 0.474 175.394 174.900 0.033 0.000 0.986 475 G CA 1.082 46.199 45.100 0.028 0.000 0.651 475 G HN 2.664 nan 8.290 nan 0.000 0.523 476 A N 0.155 122.998 122.820 0.038 0.000 2.475 476 A HA 0.928 5.248 4.320 0.000 0.000 0.301 476 A C -2.586 175.028 177.584 0.051 0.000 1.059 476 A CA -1.221 50.844 52.037 0.046 0.000 0.710 476 A CB 2.173 21.203 19.000 0.050 0.000 1.288 476 A HN 0.217 nan 8.150 nan 0.000 0.408 477 P HA 0.016 nan 4.420 nan 0.000 0.266 477 P C 0.902 178.242 177.300 0.066 0.000 1.193 477 P CA 0.026 63.161 63.100 0.058 0.000 0.770 477 P CB 0.701 32.444 31.700 0.071 0.000 0.836 478 L N 2.031 123.285 121.223 0.051 0.000 1.990 478 L HA -0.131 4.209 4.340 0.000 0.000 0.213 478 L C 1.460 178.380 176.870 0.084 0.000 1.072 478 L CA 1.743 56.618 54.840 0.057 0.000 0.755 478 L CB -0.359 41.716 42.059 0.026 0.000 0.889 478 L HN 0.447 nan 8.230 nan 0.000 0.432 479 I N -3.508 117.114 120.570 0.086 0.000 2.693 479 I HA 0.439 4.609 4.170 0.000 0.000 0.303 479 I C -0.621 175.636 176.117 0.234 0.000 1.025 479 I CA -0.771 60.623 61.300 0.157 0.000 1.086 479 I CB 2.519 40.596 38.000 0.128 0.000 1.268 479 I HN -0.213 nan 8.210 nan 0.000 0.440 480 I N 3.294 124.039 120.570 0.292 0.000 2.646 480 I HA 0.656 4.826 4.170 0.000 0.000 0.299 480 I C 0.000 176.306 176.117 0.314 0.000 1.036 480 I CA -0.579 60.889 61.300 0.280 0.000 1.074 480 I CB 2.054 40.163 38.000 0.182 0.000 1.258 480 I HN 0.938 nan 8.210 nan 0.000 0.430 481 A N 5.391 128.334 122.820 0.204 0.000 2.340 481 A HA 0.481 4.801 4.320 0.000 0.000 0.268 481 A C -1.129 176.466 177.584 0.018 0.000 1.100 481 A CA -0.013 51.965 52.037 -0.097 0.000 0.803 481 A CB 0.050 18.921 19.000 -0.216 0.000 1.043 481 A HN 0.801 nan 8.150 nan 0.000 0.488 482 H N 0.911 119.890 119.070 -0.150 0.000 3.177 482 H HA 0.388 4.944 4.556 0.000 0.000 0.314 482 H C -0.085 175.206 175.328 -0.062 0.000 1.059 482 H CA 0.246 56.273 56.048 -0.035 0.000 1.515 482 H CB 0.314 30.117 29.762 0.070 0.000 1.672 482 H HN 0.912 nan 8.280 nan 0.000 0.514 483 D N 2.832 123.034 120.400 -0.330 0.000 4.344 483 D HA -0.219 4.421 4.640 0.000 0.000 0.144 483 D C 1.258 177.404 176.300 -0.256 0.000 0.730 483 D CA 2.579 56.429 54.000 -0.250 0.000 1.156 483 D CB -1.118 39.589 40.800 -0.155 0.000 0.570 483 D HN 0.693 nan 8.370 nan 0.000 0.533 484 G N -0.128 108.507 108.800 -0.276 0.000 3.899 484 G HA2 0.495 4.455 3.960 0.000 0.000 0.293 484 G HA3 0.495 4.455 3.960 0.000 0.000 0.293 484 G C -0.424 174.226 174.900 -0.417 0.000 1.054 484 G CA 0.294 45.190 45.100 -0.341 0.000 0.846 484 G HN 0.325 nan 8.290 nan 0.000 0.525 485 V N 0.130 119.801 119.914 -0.405 0.000 2.925 485 V HA 0.557 4.677 4.120 0.000 0.000 0.311 485 V C -1.024 174.935 176.094 -0.225 0.000 1.104 485 V CA -1.224 60.922 62.300 -0.256 0.000 0.954 485 V CB 2.582 34.309 31.823 -0.161 0.000 1.022 485 V HN 0.248 nan 8.190 nan 0.000 0.427 486 W N 4.871 126.255 121.300 0.141 0.000 2.496 486 W HA 0.774 5.434 4.660 -0.000 0.000 0.327 486 W C -0.718 175.894 176.519 0.155 0.000 1.086 486 W CA -0.401 57.022 57.345 0.129 0.000 1.222 486 W CB 1.720 31.228 29.460 0.079 0.000 1.304 486 W HN 0.479 nan 8.180 nan 0.000 0.547 487 L N 1.048 122.484 121.223 0.355 0.000 2.465 487 L HA 0.546 4.886 4.340 0.000 0.000 0.257 487 L C -0.777 176.234 176.870 0.235 0.000 0.988 487 L CA -1.289 53.712 54.840 0.267 0.000 0.827 487 L CB 0.215 42.411 42.059 0.229 0.000 1.397 487 L HN 0.072 nan 8.230 nan 0.000 0.410 488 L N 2.107 123.464 121.223 0.224 0.000 2.578 488 L HA 0.439 4.779 4.340 0.000 0.000 0.279 488 L C 0.955 177.929 176.870 0.173 0.000 1.227 488 L CA 1.200 56.164 54.840 0.206 0.000 0.900 488 L CB 0.163 42.375 42.059 0.256 0.000 1.144 488 L HN 0.921 nan 8.230 nan 0.000 0.496 489 G N 3.765 112.652 108.800 0.145 0.000 2.527 489 G HA2 0.052 4.012 3.960 0.000 0.000 0.248 489 G HA3 0.052 4.012 3.960 0.000 0.000 0.248 489 G C 0.809 175.766 174.900 0.094 0.000 1.231 489 G CA -0.110 45.060 45.100 0.118 0.000 0.838 489 G HN 0.925 nan 8.290 nan 0.000 0.570 490 N N 0.955 119.701 118.700 0.076 0.000 2.132 490 N HA -0.268 4.472 4.740 0.000 0.000 0.191 490 N C 2.619 178.157 175.510 0.045 0.000 1.015 490 N CA 1.065 54.148 53.050 0.054 0.000 0.864 490 N CB -0.026 38.487 38.487 0.043 0.000 1.006 490 N HN 0.601 nan 8.380 nan 0.000 0.430 491 A N 1.072 123.923 122.820 0.051 0.000 1.869 491 A HA -0.256 4.064 4.320 0.000 0.000 0.218 491 A C 2.532 180.141 177.584 0.043 0.000 1.203 491 A CA 1.666 53.730 52.037 0.044 0.000 0.638 491 A CB -1.146 17.884 19.000 0.050 0.000 0.831 491 A HN 0.520 nan 8.150 nan 0.000 0.450 492 C N -1.685 117.652 119.300 0.061 0.000 2.457 492 C HA 0.036 4.496 4.460 0.000 0.000 0.278 492 C C 2.805 177.817 174.990 0.036 0.000 1.309 492 C CA 0.704 59.761 59.018 0.066 0.000 1.735 492 C CB -1.344 26.467 27.740 0.118 0.000 1.992 492 C HN 0.597 nan 8.230 nan 0.000 0.493 493 R N 1.032 121.554 120.500 0.037 0.000 2.094 493 R HA -0.144 4.196 4.340 0.000 0.000 0.239 493 R C 2.189 178.471 176.300 -0.030 0.000 1.137 493 R CA 1.445 57.543 56.100 -0.004 0.000 0.943 493 R CB -0.333 29.974 30.300 0.011 0.000 0.850 493 R HN 0.544 nan 8.270 nan 0.000 0.433 494 E N 0.439 120.632 120.200 -0.012 0.000 2.130 494 E HA -0.202 4.148 4.350 0.000 0.000 0.196 494 E C 1.996 178.580 176.600 -0.028 0.000 0.998 494 E CA 1.027 57.416 56.400 -0.019 0.000 0.806 494 E CB -0.117 29.580 29.700 -0.005 0.000 0.738 494 E HN 0.338 nan 8.360 nan 0.000 0.459 495 I N 0.640 121.196 120.570 -0.022 0.000 2.233 495 I HA -0.198 3.972 4.170 0.000 0.000 0.243 495 I C 2.353 178.432 176.117 -0.063 0.000 1.093 495 I CA 0.730 62.013 61.300 -0.029 0.000 1.380 495 I CB -1.061 36.933 38.000 -0.010 0.000 1.067 495 I HN 0.110 nan 8.210 nan 0.000 0.413 496 L N 0.540 121.708 121.223 -0.091 0.000 2.141 496 L HA -0.111 4.229 4.340 0.000 0.000 0.209 496 L C 2.562 179.345 176.870 -0.146 0.000 1.094 496 L CA 1.302 56.045 54.840 -0.162 0.000 0.763 496 L CB -1.143 40.775 42.059 -0.234 0.000 0.908 496 L HN 0.294 nan 8.230 nan 0.000 0.437 497 R N 0.201 120.633 120.500 -0.113 0.000 2.249 497 R HA -0.162 4.178 4.340 0.000 0.000 0.230 497 R C 1.871 178.122 176.300 -0.082 0.000 1.121 497 R CA 0.813 56.852 56.100 -0.101 0.000 0.997 497 R CB -0.046 30.208 30.300 -0.078 0.000 0.867 497 R HN 0.399 nan 8.270 nan 0.000 0.465 498 K N 0.322 120.678 120.400 -0.073 0.000 2.486 498 K HA 0.047 4.367 4.320 0.000 0.000 0.194 498 K C 0.137 176.700 176.600 -0.062 0.000 1.033 498 K CA 0.234 56.487 56.287 -0.058 0.000 1.004 498 K CB 0.409 32.881 32.500 -0.046 0.000 0.798 498 K HN -0.040 nan 8.250 nan 0.000 0.495 499 V N 2.682 122.547 119.914 -0.083 0.000 2.521 499 V HA -0.013 4.107 4.120 0.000 0.000 0.286 499 V C 0.543 176.599 176.094 -0.063 0.000 1.034 499 V CA -0.243 62.009 62.300 -0.080 0.000 1.045 499 V CB 0.788 32.543 31.823 -0.113 0.000 0.974 499 V HN 0.221 nan 8.190 nan 0.000 0.480 500 E N 7.413 127.587 120.200 -0.044 0.000 2.383 500 E HA 0.060 4.410 4.350 0.000 0.000 0.257 500 E C -1.972 174.607 176.600 -0.034 0.000 1.079 500 E CA -1.404 54.975 56.400 -0.034 0.000 0.934 500 E CB 0.539 30.226 29.700 -0.020 0.000 0.978 500 E HN 0.527 nan 8.360 nan 0.000 0.462 501 P HA -0.099 nan 4.420 nan 0.000 0.258 501 P C -1.059 176.222 177.300 -0.031 0.000 1.172 501 P CA 0.436 63.509 63.100 -0.044 0.000 0.762 501 P CB 0.597 32.269 31.700 -0.048 0.000 0.764 502 S N 3.031 118.714 115.700 -0.028 0.000 2.636 502 S HA 0.594 5.064 4.470 0.000 0.000 0.266 502 S C -3.293 171.283 174.600 -0.040 0.000 1.147 502 S CA -1.542 56.645 58.200 -0.021 0.000 0.815 502 S CB 1.008 64.216 63.200 0.012 0.000 1.119 502 S HN 0.288 nan 8.310 nan 0.000 0.470 503 P HA 0.260 nan 4.420 nan 0.000 0.267 503 P C 0.112 177.324 177.300 -0.146 0.000 1.200 503 P CA 0.476 63.408 63.100 -0.279 0.000 0.772 503 P CB -0.345 31.071 31.700 -0.473 0.000 0.855 504 F N -2.096 117.860 119.950 0.011 0.000 2.558 504 F HA -0.294 4.233 4.527 0.000 0.000 0.554 504 F C 1.266 177.077 175.800 0.018 0.000 0.517 504 F CA 1.143 59.162 58.000 0.031 0.000 1.084 504 F CB -2.133 36.890 39.000 0.039 0.000 1.821 504 F HN 0.403 nan 8.300 nan 0.000 0.262 505 S N 3.526 119.305 115.700 0.131 0.000 2.558 505 S HA 0.335 4.805 4.470 0.000 0.000 0.288 505 S C -1.489 173.097 174.600 -0.024 0.000 1.318 505 S CA -0.806 57.413 58.200 0.031 0.000 1.056 505 S CB 0.899 64.087 63.200 -0.019 0.000 0.853 505 S HN 0.238 nan 8.310 nan 0.000 0.505 506 P HA 0.165 nan 4.420 nan 0.000 0.274 506 P C 0.641 177.802 177.300 -0.232 0.000 1.256 506 P CA 0.074 63.045 63.100 -0.215 0.000 0.795 506 P CB 0.309 31.639 31.700 -0.616 0.000 1.038 507 V N -2.619 117.163 119.914 -0.221 0.000 5.482 507 V HA -0.259 3.861 4.120 0.000 0.000 0.262 507 V C 1.154 176.970 176.094 -0.462 0.000 0.664 507 V CA 1.320 63.343 62.300 -0.461 0.000 0.609 507 V CB -2.620 28.926 31.823 -0.462 0.000 0.306 507 V HN 0.644 nan 8.190 nan 0.000 0.731 508 R N 0.656 121.018 120.500 -0.230 0.000 2.193 508 R HA 0.059 4.399 4.340 0.000 0.000 0.213 508 R C 1.915 178.153 176.300 -0.104 0.000 1.055 508 R CA 1.561 57.580 56.100 -0.135 0.000 0.995 508 R CB -0.199 30.077 30.300 -0.040 0.000 0.893 508 R HN 1.033 nan 8.270 nan 0.000 0.459 509 Y N -0.926 119.370 120.300 -0.007 0.000 2.616 509 Y HA 0.081 4.631 4.550 0.000 0.000 0.296 509 Y C 0.906 176.809 175.900 0.005 0.000 1.154 509 Y CA 0.168 58.272 58.100 0.007 0.000 1.325 509 Y CB -0.393 38.085 38.460 0.029 0.000 1.007 509 Y HN -0.111 nan 8.280 nan 0.000 0.542 510 L N 1.387 122.406 121.223 -0.340 0.000 2.873 510 L HA 0.234 4.574 4.340 0.000 0.000 0.236 510 L C 0.506 177.316 176.870 -0.100 0.000 1.375 510 L CA -0.180 54.541 54.840 -0.198 0.000 1.239 510 L CB -0.404 41.476 42.059 -0.299 0.000 1.603 510 L HN 0.259 nan 8.230 nan 0.000 0.430 511 S N -1.298 114.378 115.700 -0.041 0.000 2.715 511 S HA 0.337 4.807 4.470 0.000 0.000 0.307 511 S C 0.744 175.338 174.600 -0.010 0.000 1.119 511 S CA -0.315 57.867 58.200 -0.030 0.000 0.937 511 S CB 2.094 65.277 63.200 -0.029 0.000 1.150 511 S HN 0.186 nan 8.310 nan 0.000 0.521 512 T N 0.630 115.175 114.554 -0.015 0.000 3.069 512 T HA 0.206 4.556 4.350 0.000 0.000 0.252 512 T C 0.098 174.791 174.700 -0.011 0.000 1.053 512 T CA -0.033 62.059 62.100 -0.012 0.000 0.964 512 T CB -0.608 68.250 68.868 -0.017 0.000 1.005 512 T HN 0.629 nan 8.240 nan 0.000 0.532 513 D N 1.160 121.555 120.400 -0.009 0.000 2.488 513 D HA 0.042 4.682 4.640 0.000 0.000 0.238 513 D C 1.270 177.568 176.300 -0.004 0.000 1.138 513 D CA 0.330 54.325 54.000 -0.008 0.000 0.873 513 D CB 0.969 41.764 40.800 -0.008 0.000 1.183 513 D HN 0.023 nan 8.370 nan 0.000 0.458 514 Q N 2.721 122.516 119.800 -0.009 0.000 2.124 514 Q HA -0.036 4.304 4.340 0.000 0.000 0.202 514 Q C 1.851 177.849 176.000 -0.003 0.000 0.977 514 Q CA 1.736 57.533 55.803 -0.010 0.000 0.850 514 Q CB -0.417 28.312 28.738 -0.015 0.000 0.901 514 Q HN 0.626 nan 8.270 nan 0.000 0.429 515 A N 0.563 123.382 122.820 -0.001 0.000 1.873 515 A HA -0.183 4.137 4.320 0.000 0.000 0.215 515 A C 1.955 179.551 177.584 0.019 0.000 1.186 515 A CA 1.453 53.493 52.037 0.005 0.000 0.616 515 A CB -0.362 18.638 19.000 0.000 0.000 0.823 515 A HN 0.208 nan 8.150 nan 0.000 0.442 516 E N 0.151 120.366 120.200 0.025 0.000 2.031 516 E HA -0.149 4.201 4.350 0.000 0.000 0.193 516 E C 2.111 178.748 176.600 0.062 0.000 0.994 516 E CA 1.062 57.494 56.400 0.054 0.000 0.800 516 E CB -0.610 29.125 29.700 0.057 0.000 0.752 516 E HN 0.642 nan 8.360 nan 0.000 0.447 517 L N 0.766 122.012 121.223 0.039 0.000 2.043 517 L HA -0.223 4.117 4.340 0.000 0.000 0.212 517 L C 2.600 179.483 176.870 0.021 0.000 1.075 517 L CA 1.598 56.455 54.840 0.028 0.000 0.752 517 L CB -0.729 41.331 42.059 0.001 0.000 0.891 517 L HN 0.146 nan 8.230 nan 0.000 0.432 518 T N -0.925 113.638 114.554 0.014 0.000 2.674 518 T HA -0.246 4.104 4.350 0.000 0.000 0.265 518 T C 1.707 176.429 174.700 0.037 0.000 1.039 518 T CA 1.871 63.978 62.100 0.012 0.000 1.150 518 T CB -0.466 68.405 68.868 0.005 0.000 0.864 518 T HN 0.425 nan 8.240 nan 0.000 0.427 519 N N 0.643 119.371 118.700 0.046 0.000 2.094 519 N HA -0.199 4.541 4.740 0.000 0.000 0.191 519 N C 2.054 177.618 175.510 0.090 0.000 1.023 519 N CA 1.237 54.323 53.050 0.060 0.000 0.857 519 N CB -0.179 38.340 38.487 0.054 0.000 1.013 519 N HN 0.389 nan 8.380 nan 0.000 0.426 520 A N 1.358 124.235 122.820 0.094 0.000 1.845 520 A HA 0.136 4.456 4.320 0.000 0.000 0.215 520 A C 1.430 179.110 177.584 0.160 0.000 1.195 520 A CA 1.313 53.428 52.037 0.130 0.000 0.616 520 A CB -1.170 17.895 19.000 0.108 0.000 0.832 520 A HN 0.523 nan 8.150 nan 0.000 0.443 524 W N 1.264 122.628 121.300 0.107 0.000 2.354 524 W HA -0.123 4.537 4.660 0.000 0.000 0.315 524 W C 1.854 178.334 176.519 -0.064 0.000 1.206 524 W CA 2.251 59.497 57.345 -0.166 0.000 1.290 524 W CB -0.479 28.837 29.460 -0.240 0.000 1.152 524 W HN 0.142 nan 8.180 nan 0.000 0.489 525 L N 1.486 122.936 121.223 0.380 0.000 2.083 525 L HA -0.257 4.083 4.340 0.000 0.000 0.209 525 L C 2.692 179.643 176.870 0.134 0.000 1.083 525 L CA 2.039 57.035 54.840 0.260 0.000 0.752 525 L CB -0.987 41.185 42.059 0.189 0.000 0.899 525 L HN -0.015 nan 8.230 nan 0.000 0.433 526 S N -1.967 113.806 115.700 0.121 0.000 2.528 526 S HA 0.033 4.503 4.470 0.000 0.000 0.219 526 S C 1.412 176.049 174.600 0.062 0.000 0.985 526 S CA 0.221 58.471 58.200 0.083 0.000 0.914 526 S CB 0.107 63.359 63.200 0.085 0.000 0.776 526 S HN 0.512 nan 8.310 nan 0.000 0.526 527 E N 0.408 120.640 120.200 0.054 0.000 2.444 527 E HA 0.157 4.507 4.350 0.000 0.000 0.203 527 E C 1.593 178.127 176.600 -0.110 0.000 0.847 527 E CA 0.390 56.807 56.400 0.029 0.000 1.142 527 E CB 0.135 29.943 29.700 0.179 0.000 1.125 527 E HN 0.264 nan 8.360 nan 0.000 0.521 528 V N 0.629 120.336 119.914 -0.346 0.000 2.261 528 V HA 0.165 4.285 4.120 0.000 0.000 0.235 528 V C 1.255 177.149 176.094 -0.334 0.000 1.044 528 V CA 1.545 63.478 62.300 -0.613 0.000 1.007 528 V CB -0.289 30.545 31.823 -1.650 0.000 0.647 528 V HN 0.440 nan 8.190 nan 0.000 0.462 529 G N -0.968 107.702 108.800 -0.216 0.000 2.498 529 G HA2 0.123 4.083 3.960 0.000 0.000 0.181 529 G HA3 0.123 4.083 3.960 0.000 0.000 0.181 529 G C -1.904 173.143 174.900 0.244 0.000 1.169 529 G CA -0.411 44.710 45.100 0.036 0.000 0.992 529 G HN 0.210 nan 8.290 nan 0.000 0.490 530 D N 1.870 122.391 120.400 0.202 0.000 2.356 530 D HA 0.204 4.844 4.640 0.000 0.000 0.272 530 D C 0.441 176.883 176.300 0.237 0.000 1.337 530 D CA 0.074 54.182 54.000 0.180 0.000 0.970 530 D CB 1.294 42.141 40.800 0.077 0.000 1.092 530 D HN 0.336 nan 8.370 nan 0.000 0.516 531 L N 2.374 123.715 121.223 0.197 0.000 2.615 531 L HA 0.162 4.502 4.340 0.000 0.000 0.271 531 L C -0.173 176.632 176.870 -0.108 0.000 1.183 531 L CA -0.256 54.481 54.840 -0.171 0.000 0.933 531 L CB 0.083 42.053 42.059 -0.149 0.000 1.199 531 L HN 0.323 nan 8.230 nan 0.000 0.487 532 A N 3.729 126.389 122.820 -0.267 0.000 2.303 532 A HA 0.434 4.754 4.320 0.000 0.000 0.317 532 A C 1.198 178.708 177.584 -0.124 0.000 1.149 532 A CA 0.162 52.128 52.037 -0.118 0.000 0.822 532 A CB 0.946 19.875 19.000 -0.119 0.000 1.131 532 A HN 0.895 nan 8.150 nan 0.000 0.493 533 T N 0.980 115.553 114.554 0.031 0.000 2.737 533 T HA -0.153 4.197 4.350 0.000 0.000 0.269 533 T C 1.932 176.585 174.700 -0.078 0.000 1.040 533 T CA 2.725 64.825 62.100 0.000 0.000 1.142 533 T CB -0.363 68.551 68.868 0.076 0.000 0.861 533 T HN 0.682 nan 8.240 nan 0.000 0.456 534 S N 1.385 117.044 115.700 -0.069 0.000 2.359 534 S HA -0.139 4.331 4.470 0.000 0.000 0.224 534 S C 1.797 176.344 174.600 -0.088 0.000 1.035 534 S CA 1.518 59.686 58.200 -0.052 0.000 1.018 534 S CB -0.575 62.614 63.200 -0.018 0.000 0.876 534 S HN 0.636 nan 8.310 nan 0.000 0.448 535 D N 1.110 121.401 120.400 -0.182 0.000 2.149 535 D HA -0.043 4.597 4.640 0.000 0.000 0.198 535 D C 1.158 177.220 176.300 -0.396 0.000 0.990 535 D CA 0.416 54.219 54.000 -0.328 0.000 0.839 535 D CB -0.472 39.683 40.800 -1.074 0.000 0.948 535 D HN 0.222 nan 8.370 nan 0.000 0.460 541 G N 2.231 111.055 108.800 0.039 0.000 2.359 541 G HA2 -0.001 3.959 3.960 0.000 0.000 0.298 541 G HA3 -0.001 3.959 3.960 0.000 0.000 0.298 541 G C -0.299 174.601 174.900 0.000 0.000 1.030 541 G CA 0.898 46.006 45.100 0.013 0.000 1.149 541 G HN 1.629 nan 8.290 nan 0.000 0.512 542 V N -2.936 116.974 119.914 -0.005 0.000 3.113 542 V HA 0.923 5.043 4.120 0.000 0.000 0.316 542 V C 0.786 176.871 176.094 -0.016 0.000 1.125 542 V CA -0.541 61.752 62.300 -0.011 0.000 1.026 542 V CB 1.600 33.416 31.823 -0.011 0.000 1.080 542 V HN 0.707 nan 8.190 nan 0.000 0.444 543 S N 0.436 116.126 115.700 -0.016 0.000 2.573 543 S HA 0.219 4.689 4.470 0.000 0.000 0.277 543 S C 1.047 175.636 174.600 -0.019 0.000 1.346 543 S CA 0.047 58.238 58.200 -0.015 0.000 1.034 543 S CB 0.578 63.770 63.200 -0.014 0.000 0.879 543 S HN 0.900 nan 8.310 nan 0.000 0.528 544 R N 1.700 122.189 120.500 -0.017 0.000 2.105 544 R HA -0.132 4.208 4.340 0.000 0.000 0.239 544 R C 2.271 178.558 176.300 -0.021 0.000 1.135 544 R CA 1.616 57.705 56.100 -0.019 0.000 0.967 544 R CB -0.948 29.345 30.300 -0.012 0.000 0.861 544 R HN 0.849 nan 8.270 nan 0.000 0.442 545 G N -0.992 107.797 108.800 -0.018 0.000 2.408 545 G HA2 -0.209 3.751 3.960 0.000 0.000 0.217 545 G HA3 -0.209 3.751 3.960 0.000 0.000 0.217 545 G C 1.236 176.121 174.900 -0.026 0.000 1.150 545 G CA 1.178 46.266 45.100 -0.020 0.000 0.776 545 G HN 0.368 nan 8.290 nan 0.000 0.542 546 T N 1.325 115.864 114.554 -0.025 0.000 2.904 546 T HA 0.166 4.516 4.350 0.000 0.000 0.267 546 T C 2.729 177.407 174.700 -0.037 0.000 1.059 546 T CA 1.193 63.276 62.100 -0.027 0.000 1.137 546 T CB -0.116 68.739 68.868 -0.022 0.000 0.879 546 T HN 0.355 nan 8.240 nan 0.000 0.467 547 A N 1.773 124.568 122.820 -0.041 0.000 1.874 547 A HA 0.021 4.341 4.320 0.000 0.000 0.214 547 A C 2.303 179.842 177.584 -0.076 0.000 1.189 547 A CA 0.949 52.952 52.037 -0.058 0.000 0.615 547 A CB -0.371 18.593 19.000 -0.060 0.000 0.830 547 A HN 0.118 nan 8.150 nan 0.000 0.443 548 K N 0.310 120.673 120.400 -0.062 0.000 2.074 548 K HA -0.177 4.143 4.320 0.000 0.000 0.209 548 K C 2.196 178.743 176.600 -0.088 0.000 1.048 548 K CA 1.588 57.833 56.287 -0.071 0.000 0.926 548 K CB -0.802 31.676 32.500 -0.037 0.000 0.713 548 K HN 0.401 nan 8.250 nan 0.000 0.444 549 A N 0.742 123.523 122.820 -0.065 0.000 1.869 549 A HA -0.278 4.042 4.320 0.000 0.000 0.218 549 A C 2.740 180.277 177.584 -0.077 0.000 1.203 549 A CA 2.219 54.220 52.037 -0.060 0.000 0.638 549 A CB -1.428 17.546 19.000 -0.043 0.000 0.831 549 A HN 0.557 nan 8.150 nan 0.000 0.450 550 C N -1.073 118.180 119.300 -0.079 0.000 2.413 550 C HA -0.069 4.391 4.460 0.000 0.000 0.276 550 C C 2.758 177.669 174.990 -0.132 0.000 1.236 550 C CA 1.297 60.264 59.018 -0.085 0.000 1.735 550 C CB -1.499 26.198 27.740 -0.071 0.000 2.031 550 C HN 0.443 nan 8.230 nan 0.000 0.474 551 V N 1.481 121.279 119.914 -0.193 0.000 2.231 551 V HA -0.239 3.881 4.120 0.000 0.000 0.248 551 V C 2.267 178.171 176.094 -0.317 0.000 1.054 551 V CA 2.627 64.721 62.300 -0.344 0.000 1.015 551 V CB -0.908 30.609 31.823 -0.510 0.000 0.638 551 V HN 0.495 nan 8.190 nan 0.000 0.444 552 D N 0.750 121.012 120.400 -0.229 0.000 2.126 552 D HA -0.180 4.460 4.640 0.000 0.000 0.190 552 D C 2.202 178.437 176.300 -0.109 0.000 1.001 552 D CA 1.903 55.814 54.000 -0.148 0.000 0.841 552 D CB -0.934 39.813 40.800 -0.089 0.000 0.949 552 D HN 0.481 nan 8.370 nan 0.000 0.446 553 G N 0.270 109.015 108.800 -0.092 0.000 2.469 553 G HA2 -0.233 3.727 3.960 0.000 0.000 0.220 553 G HA3 -0.233 3.727 3.960 0.000 0.000 0.220 553 G C 1.518 176.380 174.900 -0.064 0.000 1.136 553 G CA 0.472 45.534 45.100 -0.064 0.000 0.759 553 G HN 0.199 nan 8.290 nan 0.000 0.562 554 L N 0.356 121.524 121.223 -0.091 0.000 2.291 554 L HA 0.069 4.409 4.340 0.000 0.000 0.214 554 L C 2.817 179.649 176.870 -0.064 0.000 1.120 554 L CA 0.634 55.428 54.840 -0.076 0.000 0.799 554 L CB -0.069 41.930 42.059 -0.100 0.000 0.925 554 L HN 0.118 nan 8.230 nan 0.000 0.446 555 V N -1.331 118.534 119.914 -0.081 0.000 2.446 555 V HA -0.143 3.977 4.120 0.000 0.000 0.244 555 V C 1.889 177.972 176.094 -0.019 0.000 1.039 555 V CA 1.215 63.491 62.300 -0.040 0.000 1.045 555 V CB -0.468 31.330 31.823 -0.041 0.000 0.681 555 V HN 0.274 nan 8.190 nan 0.000 0.459 556 D N 0.463 120.846 120.400 -0.028 0.000 2.218 556 D HA -0.136 4.504 4.640 0.000 0.000 0.204 556 D C 1.956 178.249 176.300 -0.012 0.000 0.976 556 D CA 1.056 55.046 54.000 -0.017 0.000 0.853 556 D CB -0.067 40.720 40.800 -0.021 0.000 0.939 556 D HN 0.551 nan 8.370 nan 0.000 0.481 557 E N 0.182 120.373 120.200 -0.014 0.000 2.479 557 E HA 0.053 4.403 4.350 0.000 0.000 0.193 557 E C -0.314 176.285 176.600 -0.002 0.000 1.049 557 E CA -0.030 56.365 56.400 -0.008 0.000 0.870 557 E CB 0.203 29.897 29.700 -0.010 0.000 0.944 557 E HN 0.268 nan 8.360 nan 0.000 0.492 558 E N 0.546 120.746 120.200 0.000 0.000 2.389 558 E HA -0.266 4.084 4.350 0.000 0.000 0.243 558 E C 0.848 177.455 176.600 0.012 0.000 1.154 558 E CA -0.069 56.336 56.400 0.009 0.000 0.723 558 E CB -0.520 29.186 29.700 0.010 0.000 1.261 558 E HN 0.190 nan 8.360 nan 0.000 0.390 559 R N -0.591 119.915 120.500 0.009 0.000 2.090 559 R HA 0.077 4.417 4.340 0.000 0.000 0.219 559 R C 1.302 177.619 176.300 0.028 0.000 1.100 559 R CA 1.571 57.680 56.100 0.015 0.000 0.991 559 R CB 0.215 30.519 30.300 0.006 0.000 0.893 559 R HN 0.267 nan 8.270 nan 0.000 0.443 560 V N -2.955 116.978 119.914 0.031 0.000 3.141 560 V HA 0.734 4.854 4.120 0.000 0.000 0.312 560 V C -0.532 175.614 176.094 0.086 0.000 1.157 560 V CA -1.037 61.302 62.300 0.065 0.000 1.041 560 V CB 2.318 34.190 31.823 0.081 0.000 1.071 560 V HN -0.182 nan 8.190 nan 0.000 0.441 561 V N 1.267 121.256 119.914 0.125 0.000 2.760 561 V HA 0.884 5.004 4.120 0.000 0.000 0.309 561 V C 0.526 176.716 176.094 0.160 0.000 1.077 561 V CA 0.075 62.450 62.300 0.125 0.000 0.910 561 V CB 1.550 33.412 31.823 0.066 0.000 1.008 561 V HN 1.936 nan 8.190 nan 0.000 0.424 562 A N 4.714 127.638 122.820 0.174 0.000 2.492 562 A HA 0.589 4.909 4.320 0.000 0.000 0.236 562 A C -0.221 177.316 177.584 -0.078 0.000 1.078 562 A CA 0.643 52.690 52.037 0.016 0.000 0.773 562 A CB 0.758 19.790 19.000 0.054 0.000 1.023 562 A HN 1.905 nan 8.150 nan 0.000 0.504 563 V N 1.233 121.033 119.914 -0.189 0.000 2.789 563 V HA 0.638 4.758 4.120 0.000 0.000 0.300 563 V C 0.043 176.049 176.094 -0.148 0.000 1.184 563 V CA 1.150 63.374 62.300 -0.126 0.000 0.930 563 V CB 1.075 32.844 31.823 -0.090 0.000 1.041 563 V HN 2.916 nan 8.190 nan 0.000 0.430 564 G N 4.057 112.798 108.800 -0.098 0.000 2.795 564 G HA2 0.447 4.407 3.960 0.000 0.000 0.664 564 G HA3 0.447 4.407 3.960 0.000 0.000 0.664 564 G C 0.052 174.897 174.900 -0.093 0.000 1.381 564 G CA -0.154 44.893 45.100 -0.089 0.000 0.853 564 G HN 2.299 nan 8.290 nan 0.000 0.545 565 G N -1.635 107.122 108.800 -0.073 0.000 2.660 565 G HA2 0.982 4.942 3.960 0.000 0.000 0.294 565 G HA3 0.982 4.942 3.960 0.000 0.000 0.294 565 G C 0.751 175.619 174.900 -0.053 0.000 1.369 565 G CA 1.283 46.346 45.100 -0.062 0.000 0.912 565 G HN 2.782 nan 8.290 nan 0.000 0.479 566 G N 0.638 109.411 108.800 -0.044 0.000 2.498 566 G HA2 -0.206 3.754 3.960 0.000 0.000 0.245 566 G HA3 -0.206 3.754 3.960 0.000 0.000 0.245 566 G C 0.751 175.627 174.900 -0.040 0.000 1.204 566 G CA 0.411 45.490 45.100 -0.035 0.000 0.933 566 G HN 0.920 nan 8.290 nan 0.000 0.574 567 R N 1.019 121.498 120.500 -0.035 0.000 2.323 567 R HA 0.307 4.647 4.340 0.000 0.000 0.198 567 R C 2.018 178.290 176.300 -0.047 0.000 0.988 567 R CA 1.302 57.381 56.100 -0.035 0.000 1.041 567 R CB -0.075 30.208 30.300 -0.027 0.000 0.926 567 R HN 0.798 nan 8.270 nan 0.000 0.476 568 S N -0.849 114.817 115.700 -0.056 0.000 2.581 568 S HA 0.234 4.704 4.470 0.000 0.000 0.245 568 S C 0.140 174.680 174.600 -0.099 0.000 1.115 568 S CA -0.846 57.314 58.200 -0.066 0.000 1.093 568 S CB 0.129 63.297 63.200 -0.053 0.000 0.853 568 S HN 0.138 nan 8.310 nan 0.000 0.479 569 R N 1.861 122.284 120.500 -0.128 0.000 2.246 569 R HA 0.511 4.851 4.340 0.000 0.000 0.332 569 R C 0.028 176.121 176.300 -0.345 0.000 0.974 569 R CA -0.504 55.463 56.100 -0.222 0.000 0.837 569 R CB 0.635 30.815 30.300 -0.199 0.000 1.145 569 R HN 0.390 nan 8.270 nan 0.000 0.467 570 R N 2.948 123.196 120.500 -0.419 0.000 3.173 570 R HA 0.475 4.815 4.340 0.000 0.000 0.225 570 R C -0.929 174.880 176.300 -0.818 0.000 1.587 570 R CA -0.947 54.892 56.100 -0.437 0.000 1.033 570 R CB 0.706 30.916 30.300 -0.150 0.000 1.804 570 R HN 0.363 nan 8.270 nan 0.000 0.526 571 Y N -0.644 119.640 120.300 -0.026 0.000 2.513 571 Y HA 0.424 4.974 4.550 0.000 0.000 0.340 571 Y C -0.569 175.338 175.900 0.012 0.000 1.055 571 Y CA -0.979 57.113 58.100 -0.013 0.000 1.020 571 Y CB 2.200 40.643 38.460 -0.028 0.000 1.301 571 Y HN 0.428 nan 8.280 nan 0.000 0.453 572 R N 3.475 124.063 120.500 0.147 0.000 2.502 572 R HA 0.634 4.974 4.340 0.000 0.000 0.300 572 R C -1.432 174.926 176.300 0.095 0.000 0.984 572 R CA -0.873 55.291 56.100 0.106 0.000 0.882 572 R CB 0.850 31.188 30.300 0.063 0.000 1.180 572 R HN 0.640 nan 8.270 nan 0.000 0.444 573 L N 2.845 124.122 121.223 0.090 0.000 2.461 573 L HA 0.354 4.694 4.340 0.000 0.000 0.259 573 L C 0.484 177.386 176.870 0.052 0.000 1.248 573 L CA -0.252 54.629 54.840 0.068 0.000 0.823 573 L CB -0.394 41.704 42.059 0.064 0.000 1.111 573 L HN 0.441 nan 8.230 nan 0.000 0.516 574 V N 0.000 119.939 119.914 0.042 0.000 2.409 574 V HA 0.000 4.120 4.120 0.000 0.000 0.244 574 V CA 0.000 62.320 62.300 0.033 0.000 1.235 574 V CB 0.000 31.840 31.823 0.029 0.000 1.184 574 V HN 0.000 nan 8.190 nan 0.000 0.556