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 3ej6_1_C DATA FIRST_RESID 36 DATA SEQUENCE EVDARQRLKE VEVDDNGQFM TTDFGGNIEE QFSLKAGGRG STLLEDFIFR DATA SEQUENCE QKLQHFDHER IPERVVHARG AGAHGIFTSY GDWSNITAAS FLGAKDKQTP DATA SEQUENCE VFVRFSTVAG SRGSADTARD VHGFATRFYT DEGNFDIVGN NIPVFFIQDA DATA SEQUENCE IRFPDLIHSV KPSPDNEVPQ AATAHDSAWD FFSSQPSALH TLFWAMSGNG DATA SEQUENCE IPRSYRHMDG FGIHTFRLVT EDGKSKLVKW HWKTKQGKAA LVWEEAQVLA DATA SEQUENCE GKNADFHRQD LWDAIESGNA PSWELAVQLI DEDKAQAYGF DLLDPTKFLP DATA SEQUENCE EEFAPLQVLG EMTLNRNPMN YFAETEQISF QPGHIVRGVD FTEDPLLQGR DATA SEQUENCE LYSYLDTQLN RHRGPNFEQL PINRPVSGVH NNHRDGQGQA WIHKNIHHYS DATA SEQUENCE PSYLNKGYPA QANQTVGRGF FTTPGRTASG VLNRELSATF DDHYTQPRLF DATA SEQUENCE FNSLTPVEQQ FVINAIRFEA SHVTNEQVKK NVLEQLNKIS NDVAKRVAVA DATA SEQUENCE LGLEAPQPDP TYYHNNVTRG VSIFNESLPT IATLRVGVLS TTKGGSLDKA DATA SEQUENCE KALKEQLEKD GLKVTVIAEY LASGVDQTYS AADATAFDAV VVAEGAERVF DATA SEQUENCE SGKGAMSPLF PAGRPSQILT DGYRWGKPVA AVGSAKKALQ SIGVEEKEAG DATA SEQUENCE VYAGAQDEVI KGVEEGLKVF KFLERFAVDG D 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 36 E HA 0.000 nan 4.350 nan 0.000 0.291 36 E C 0.000 176.603 176.600 0.006 0.000 1.382 36 E CA 0.000 56.403 56.400 0.005 0.000 0.976 36 E CB 0.000 29.701 29.700 0.001 0.000 0.812 37 V N 3.236 123.156 119.914 0.009 0.000 2.487 37 V HA 0.474 4.600 4.120 0.010 0.000 0.298 37 V C -0.364 175.731 176.094 0.002 0.000 1.028 37 V CA -0.927 61.379 62.300 0.009 0.000 0.860 37 V CB 1.841 33.678 31.823 0.023 0.000 0.991 37 V HN 0.627 nan 8.190 nan 0.000 0.427 38 D N 3.265 123.658 120.400 -0.012 0.000 2.295 38 D HA 0.452 5.098 4.640 0.010 0.000 0.248 38 D C 0.861 177.140 176.300 -0.036 0.000 1.154 38 D CA 0.163 54.145 54.000 -0.030 0.000 0.857 38 D CB 2.154 42.928 40.800 -0.044 0.000 1.117 38 D HN 0.600 nan 8.370 nan 0.000 0.468 39 A N 4.885 127.684 122.820 -0.035 0.000 2.014 39 A HA -0.085 4.241 4.320 0.010 0.000 0.218 39 A C 1.570 179.084 177.584 -0.117 0.000 1.163 39 A CA 0.822 52.844 52.037 -0.025 0.000 0.652 39 A CB 0.022 19.049 19.000 0.045 0.000 0.808 39 A HN 0.596 nan 8.150 nan 0.000 0.449 40 R N -0.637 119.743 120.500 -0.200 0.000 2.978 40 R HA 0.132 4.477 4.340 0.010 0.000 0.298 40 R C 1.285 177.475 176.300 -0.183 0.000 1.296 40 R CA -0.006 55.912 56.100 -0.303 0.000 1.181 40 R CB 0.106 30.155 30.300 -0.419 0.000 1.348 40 R HN 0.490 nan 8.270 nan 0.000 0.585 41 Q N 2.036 121.758 119.800 -0.130 0.000 2.083 41 Q HA -0.137 4.208 4.340 0.010 0.000 0.198 41 Q C 2.093 178.039 176.000 -0.091 0.000 0.969 41 Q CA 1.610 57.359 55.803 -0.090 0.000 0.838 41 Q CB 0.139 28.840 28.738 -0.062 0.000 0.900 41 Q HN 0.381 nan 8.270 nan 0.000 0.436 42 R N -0.618 119.816 120.500 -0.109 0.000 2.148 42 R HA -0.062 4.284 4.340 0.010 0.000 0.227 42 R C 1.331 177.571 176.300 -0.100 0.000 1.103 42 R CA 1.171 57.210 56.100 -0.101 0.000 0.983 42 R CB -0.447 29.781 30.300 -0.121 0.000 0.874 42 R HN 0.207 nan 8.270 nan 0.000 0.451 43 L N 1.567 122.716 121.223 -0.124 0.000 2.478 43 L HA 0.073 4.419 4.340 0.010 0.000 0.223 43 L C 2.042 178.869 176.870 -0.072 0.000 1.140 43 L CA 1.337 56.114 54.840 -0.104 0.000 0.842 43 L CB -0.266 41.711 42.059 -0.137 0.000 0.953 43 L HN 0.127 nan 8.230 nan 0.000 0.452 44 K N 0.098 120.456 120.400 -0.070 0.000 2.209 44 K HA -0.216 4.109 4.320 0.010 0.000 0.204 44 K C 1.858 178.438 176.600 -0.032 0.000 1.048 44 K CA 1.481 57.739 56.287 -0.049 0.000 0.940 44 K CB 0.031 32.502 32.500 -0.047 0.000 0.729 44 K HN 0.589 nan 8.250 nan 0.000 0.451 45 E N 0.826 121.006 120.200 -0.033 0.000 2.150 45 E HA -0.130 4.226 4.350 0.010 0.000 0.193 45 E C 1.590 178.184 176.600 -0.010 0.000 0.985 45 E CA 1.430 57.817 56.400 -0.022 0.000 0.814 45 E CB -0.215 29.470 29.700 -0.025 0.000 0.752 45 E HN 0.203 nan 8.360 nan 0.000 0.466 46 V N -0.952 118.956 119.914 -0.009 0.000 3.633 46 V HA 0.163 4.289 4.120 0.010 0.000 0.283 46 V C 0.408 176.509 176.094 0.011 0.000 1.305 46 V CA -0.263 62.040 62.300 0.006 0.000 1.153 46 V CB -0.660 31.168 31.823 0.009 0.000 0.950 46 V HN 0.034 nan 8.190 nan 0.000 0.432 47 E N 0.765 120.967 120.200 0.003 0.000 2.354 47 E HA 0.491 4.847 4.350 0.010 0.000 0.269 47 E C -1.017 175.591 176.600 0.012 0.000 1.036 47 E CA -0.315 56.091 56.400 0.009 0.000 0.876 47 E CB 2.116 31.816 29.700 0.000 0.000 1.009 47 E HN 0.336 nan 8.360 nan 0.000 0.416 48 V N 3.249 123.175 119.914 0.019 0.000 2.409 48 V HA 0.135 4.260 4.120 0.010 0.000 0.291 48 V C -0.276 175.826 176.094 0.013 0.000 1.020 48 V CA -0.783 61.526 62.300 0.016 0.000 0.848 48 V CB 1.684 33.518 31.823 0.019 0.000 0.990 48 V HN 0.643 nan 8.190 nan 0.000 0.430 49 D N 3.257 123.661 120.400 0.007 0.000 2.280 49 D HA 0.275 4.921 4.640 0.010 0.000 0.236 49 D C -0.463 175.834 176.300 -0.004 0.000 1.082 49 D CA -0.263 53.739 54.000 0.003 0.000 0.834 49 D CB 1.971 42.771 40.800 -0.001 0.000 1.100 49 D HN 0.517 nan 8.370 nan 0.000 0.486 50 D N 2.665 123.061 120.400 -0.007 0.000 2.402 50 D HA 0.065 4.710 4.640 0.010 0.000 0.216 50 D C -0.315 175.966 176.300 -0.032 0.000 1.128 50 D CA -0.165 53.825 54.000 -0.017 0.000 0.833 50 D CB 0.035 40.828 40.800 -0.012 0.000 0.971 50 D HN 0.416 nan 8.370 nan 0.000 0.503 51 N N 0.087 118.770 118.700 -0.030 0.000 2.475 51 N HA 0.315 5.061 4.740 0.010 0.000 0.267 51 N C 1.146 176.616 175.510 -0.066 0.000 1.169 51 N CA 0.299 53.324 53.050 -0.041 0.000 0.947 51 N CB 0.953 39.424 38.487 -0.027 0.000 1.061 51 N HN 0.023 nan 8.380 nan 0.000 0.466 52 G N 0.793 109.534 108.800 -0.097 0.000 2.179 52 G HA2 -0.267 3.699 3.960 0.010 0.000 0.257 52 G HA3 -0.267 3.699 3.960 0.010 0.000 0.257 52 G C -0.234 174.535 174.900 -0.218 0.000 1.010 52 G CA -0.036 44.974 45.100 -0.150 0.000 0.736 52 G HN 0.497 nan 8.290 nan 0.000 0.513 53 Q N -1.122 118.561 119.800 -0.195 0.000 2.257 53 Q HA 0.687 5.033 4.340 0.010 0.000 0.262 53 Q C 0.112 175.970 176.000 -0.236 0.000 0.997 53 Q CA -0.718 54.978 55.803 -0.178 0.000 0.873 53 Q CB 1.316 30.019 28.738 -0.059 0.000 1.312 53 Q HN 0.233 nan 8.270 nan 0.000 0.450 54 F N 0.600 120.544 119.950 -0.010 0.000 2.370 54 F HA 0.262 4.795 4.527 0.009 0.000 0.324 54 F C 1.125 176.913 175.800 -0.021 0.000 1.116 54 F CA -0.633 57.360 58.000 -0.012 0.000 1.123 54 F CB 0.701 39.696 39.000 -0.009 0.000 1.238 54 F HN 0.183 nan 8.300 nan 0.000 0.536 55 M N 1.991 121.714 119.600 0.204 0.000 2.239 55 M HA 0.149 4.634 4.480 0.010 0.000 0.348 55 M C 0.123 176.450 176.300 0.046 0.000 1.239 55 M CA 0.301 55.650 55.300 0.082 0.000 1.114 55 M CB 0.552 33.186 32.600 0.057 0.000 1.641 55 M HN 0.788 nan 8.290 nan 0.000 0.453 56 T N -0.495 114.053 114.554 -0.010 0.000 2.838 56 T HA 0.705 5.060 4.350 0.010 0.000 0.292 56 T C 0.119 174.744 174.700 -0.125 0.000 1.113 56 T CA -0.841 61.219 62.100 -0.067 0.000 1.008 56 T CB 1.594 70.422 68.868 -0.066 0.000 1.259 56 T HN 0.682 nan 8.240 nan 0.000 0.520 57 T N -1.093 113.315 114.554 -0.242 0.000 2.770 57 T HA 0.336 4.692 4.350 0.010 0.000 0.281 57 T C 0.340 174.890 174.700 -0.249 0.000 0.981 57 T CA -0.461 61.453 62.100 -0.311 0.000 0.955 57 T CB 0.173 68.609 68.868 -0.720 0.000 1.060 57 T HN 0.518 nan 8.240 nan 0.000 0.531 58 D N -0.227 120.107 120.400 -0.110 0.000 2.348 58 D HA 0.056 4.702 4.640 0.010 0.000 0.216 58 D C 0.982 177.336 176.300 0.090 0.000 0.970 58 D CA 0.707 54.713 54.000 0.009 0.000 0.889 58 D CB -0.263 40.593 40.800 0.094 0.000 0.912 58 D HN 0.714 nan 8.370 nan 0.000 0.524 59 F N -1.245 118.736 119.950 0.051 0.000 2.647 59 F HA 0.552 5.085 4.527 0.010 0.000 0.300 59 F C 0.900 176.725 175.800 0.041 0.000 1.106 59 F CA -0.332 57.693 58.000 0.042 0.000 1.313 59 F CB 0.020 39.043 39.000 0.037 0.000 1.007 59 F HN -0.088 nan 8.300 nan 0.000 0.536 60 G N -0.003 108.652 108.800 -0.242 0.000 2.795 60 G HA2 0.377 4.343 3.960 0.010 0.000 0.664 60 G HA3 0.377 4.343 3.960 0.010 0.000 0.664 60 G C -0.110 174.636 174.900 -0.258 0.000 1.381 60 G CA -0.229 44.773 45.100 -0.164 0.000 0.853 60 G HN 2.011 nan 8.290 nan 0.000 0.545 61 G N -0.344 108.389 108.800 -0.112 0.000 3.172 61 G HA2 0.236 4.202 3.960 0.010 0.000 0.686 61 G HA3 0.236 4.202 3.960 0.010 0.000 0.686 61 G C -0.323 174.532 174.900 -0.074 0.000 1.009 61 G CA 0.350 45.408 45.100 -0.071 0.000 0.787 61 G HN 1.621 nan 8.290 nan 0.000 0.559 62 N N 0.164 118.840 118.700 -0.040 0.000 2.508 62 N HA 0.697 5.443 4.740 0.010 0.000 0.264 62 N C 0.981 176.475 175.510 -0.028 0.000 1.216 62 N CA 0.688 53.716 53.050 -0.037 0.000 0.943 62 N CB 0.977 39.409 38.487 -0.093 0.000 1.113 62 N HN 1.113 nan 8.380 nan 0.000 0.447 63 I N -3.034 117.525 120.570 -0.017 0.000 3.279 63 I HA 0.549 4.725 4.170 0.010 0.000 0.315 63 I C -0.863 175.257 176.117 0.004 0.000 1.225 63 I CA -1.132 60.160 61.300 -0.013 0.000 0.947 63 I CB 2.328 40.303 38.000 -0.041 0.000 1.293 63 I HN 0.418 nan 8.210 nan 0.000 0.468 64 E N 1.247 121.451 120.200 0.007 0.000 2.212 64 E HA 0.559 4.915 4.350 0.010 0.000 0.268 64 E C -1.375 175.240 176.600 0.025 0.000 0.902 64 E CA -0.606 55.819 56.400 0.041 0.000 0.779 64 E CB 2.157 31.906 29.700 0.082 0.000 1.172 64 E HN 0.716 nan 8.360 nan 0.000 0.409 65 E N 2.267 122.480 120.200 0.022 0.000 3.729 65 E HA 0.116 4.472 4.350 0.010 0.000 0.195 65 E C -0.102 176.480 176.600 -0.030 0.000 1.005 65 E CA -0.388 56.010 56.400 -0.004 0.000 1.356 65 E CB 0.540 30.220 29.700 -0.032 0.000 1.138 65 E HN 0.418 nan 8.360 nan 0.000 0.450 66 Q N -0.169 119.606 119.800 -0.043 0.000 2.280 66 Q HA 0.334 4.680 4.340 0.010 0.000 0.228 66 Q C -0.622 175.056 176.000 -0.536 0.000 0.857 66 Q CA 0.313 55.947 55.803 -0.281 0.000 0.939 66 Q CB 0.781 29.298 28.738 -0.368 0.000 1.114 66 Q HN 0.297 nan 8.270 nan 0.000 0.514 67 F N 0.204 120.149 119.950 -0.008 0.000 2.547 67 F HA 0.372 4.905 4.527 0.009 0.000 0.316 67 F C 0.339 176.125 175.800 -0.024 0.000 1.121 67 F CA -0.830 57.159 58.000 -0.018 0.000 0.911 67 F CB 1.778 40.765 39.000 -0.022 0.000 1.179 67 F HN -0.364 nan 8.300 nan 0.000 0.443 68 S N 2.606 118.368 115.700 0.104 0.000 2.580 68 S HA 0.323 4.799 4.470 0.010 0.000 0.274 68 S C -0.572 174.033 174.600 0.008 0.000 1.329 68 S CA -0.521 57.675 58.200 -0.007 0.000 1.036 68 S CB 0.944 64.037 63.200 -0.178 0.000 0.919 68 S HN 0.490 nan 8.310 nan 0.000 0.515 69 L N 3.691 124.901 121.223 -0.022 0.000 2.369 69 L HA 0.316 4.662 4.340 0.010 0.000 0.279 69 L C -0.340 176.512 176.870 -0.030 0.000 1.108 69 L CA 0.707 55.541 54.840 -0.011 0.000 0.852 69 L CB -0.298 41.764 42.059 0.004 0.000 1.169 69 L HN 0.509 nan 8.230 nan 0.000 0.452 70 K N 4.315 124.703 120.400 -0.020 0.000 2.259 70 K HA 0.700 5.026 4.320 0.010 0.000 0.249 70 K C -0.569 176.021 176.600 -0.017 0.000 0.942 70 K CA -0.729 55.543 56.287 -0.026 0.000 0.816 70 K CB 1.815 34.302 32.500 -0.022 0.000 1.155 70 K HN 0.617 nan 8.250 nan 0.000 0.428 71 A N 2.134 124.944 122.820 -0.017 0.000 3.056 71 A HA 0.569 4.895 4.320 0.010 0.000 0.274 71 A C 0.343 177.921 177.584 -0.012 0.000 1.661 71 A CA 0.359 52.389 52.037 -0.011 0.000 1.363 71 A CB -1.004 17.991 19.000 -0.008 0.000 1.139 71 A HN 0.856 nan 8.150 nan 0.000 0.598 72 G N -0.416 108.376 108.800 -0.013 0.000 2.440 72 G HA2 0.299 4.265 3.960 0.010 0.000 0.684 72 G HA3 0.299 4.265 3.960 0.010 0.000 0.684 72 G C 0.723 175.614 174.900 -0.015 0.000 1.309 72 G CA -0.274 44.818 45.100 -0.013 0.000 0.931 72 G HN 1.196 nan 8.290 nan 0.000 0.612 73 G N -0.532 108.259 108.800 -0.015 0.000 2.418 73 G HA2 0.015 3.981 3.960 0.010 0.000 0.217 73 G HA3 0.015 3.981 3.960 0.010 0.000 0.217 73 G C 1.108 176.003 174.900 -0.009 0.000 1.158 73 G CA 1.345 46.436 45.100 -0.015 0.000 0.771 73 G HN 0.757 nan 8.290 nan 0.000 0.545 74 R N 0.293 120.788 120.500 -0.008 0.000 2.997 74 R HA 0.358 4.704 4.340 0.010 0.000 0.358 74 R C 0.544 176.838 176.300 -0.011 0.000 1.191 74 R CA -0.156 55.940 56.100 -0.007 0.000 1.113 74 R CB 1.068 31.365 30.300 -0.005 0.000 1.433 74 R HN 0.264 nan 8.270 nan 0.000 0.584 75 G N -0.275 108.516 108.800 -0.014 0.000 2.521 75 G HA2 0.310 4.276 3.960 0.010 0.000 0.323 75 G HA3 0.310 4.276 3.960 0.010 0.000 0.323 75 G C -0.299 174.586 174.900 -0.024 0.000 1.211 75 G CA -0.396 44.694 45.100 -0.016 0.000 0.979 75 G HN 0.120 nan 8.290 nan 0.000 0.490 76 S N -0.795 114.889 115.700 -0.026 0.000 2.592 76 S HA 0.364 4.840 4.470 0.010 0.000 0.271 76 S C 0.542 175.112 174.600 -0.051 0.000 1.326 76 S CA -0.266 57.912 58.200 -0.036 0.000 1.024 76 S CB 0.983 64.167 63.200 -0.027 0.000 0.921 76 S HN 0.584 nan 8.310 nan 0.000 0.527 77 T N 3.351 117.856 114.554 -0.082 0.000 2.870 77 T HA 0.243 4.599 4.350 0.010 0.000 0.300 77 T C 0.280 174.932 174.700 -0.080 0.000 0.989 77 T CA -0.215 61.813 62.100 -0.119 0.000 1.139 77 T CB -0.090 68.635 68.868 -0.238 0.000 0.920 77 T HN 0.306 nan 8.240 nan 0.000 0.537 78 L N 3.594 124.785 121.223 -0.054 0.000 2.397 78 L HA 0.222 4.567 4.340 0.010 0.000 0.271 78 L C 1.533 178.409 176.870 0.011 0.000 1.148 78 L CA -0.652 54.182 54.840 -0.010 0.000 0.825 78 L CB 0.450 42.515 42.059 0.011 0.000 1.117 78 L HN 0.530 nan 8.230 nan 0.000 0.456 79 L N 2.185 123.430 121.223 0.036 0.000 2.217 79 L HA -0.150 4.196 4.340 0.010 0.000 0.211 79 L C 2.239 179.172 176.870 0.105 0.000 1.107 79 L CA 1.483 56.365 54.840 0.070 0.000 0.783 79 L CB -0.556 41.539 42.059 0.060 0.000 0.919 79 L HN 0.785 nan 8.230 nan 0.000 0.442 80 E N -1.627 118.633 120.200 0.100 0.000 2.511 80 E HA -0.155 4.201 4.350 0.010 0.000 0.196 80 E C 0.200 176.926 176.600 0.211 0.000 1.066 80 E CA 0.113 56.599 56.400 0.143 0.000 0.871 80 E CB -0.506 29.263 29.700 0.115 0.000 0.863 80 E HN 0.346 nan 8.360 nan 0.000 0.520 81 D N 1.401 121.896 120.400 0.159 0.000 2.489 81 D HA -0.069 4.577 4.640 0.010 0.000 0.237 81 D C 0.573 176.982 176.300 0.182 0.000 1.212 81 D CA -0.345 53.733 54.000 0.130 0.000 1.058 81 D CB -0.267 40.579 40.800 0.076 0.000 1.098 81 D HN 0.339 nan 8.370 nan 0.000 0.509 82 F N 1.790 121.829 119.950 0.149 0.000 2.293 82 F HA -0.019 4.513 4.527 0.008 0.000 0.300 82 F C 1.705 177.614 175.800 0.181 0.000 1.086 82 F CA 0.387 58.482 58.000 0.157 0.000 1.375 82 F CB -0.522 38.566 39.000 0.147 0.000 1.045 82 F HN 0.172 nan 8.300 nan 0.000 0.516 83 I N -0.293 119.859 120.570 -0.697 0.000 2.315 83 I HA -0.199 3.976 4.170 0.010 0.000 0.248 83 I C 2.436 178.499 176.117 -0.090 0.000 1.117 83 I CA 1.335 62.364 61.300 -0.450 0.000 1.404 83 I CB -0.566 37.112 38.000 -0.536 0.000 1.071 83 I HN 0.277 nan 8.210 nan 0.000 0.419 84 F N 2.057 121.931 119.950 -0.127 0.000 2.084 84 F HA -0.147 4.383 4.527 0.006 0.000 0.296 84 F C 2.680 178.486 175.800 0.010 0.000 1.111 84 F CA 1.569 59.540 58.000 -0.047 0.000 1.224 84 F CB -0.318 38.664 39.000 -0.030 0.000 0.991 84 F HN -0.208 nan 8.300 nan 0.000 0.471 85 R N 0.043 120.504 120.500 -0.064 0.000 2.092 85 R HA -0.182 4.164 4.340 0.010 0.000 0.231 85 R C 2.254 178.505 176.300 -0.081 0.000 1.119 85 R CA 1.644 57.664 56.100 -0.134 0.000 0.970 85 R CB -0.513 29.858 30.300 0.119 0.000 0.864 85 R HN 0.520 nan 8.270 nan 0.000 0.440 86 Q N 0.903 120.722 119.800 0.032 0.000 2.167 86 Q HA -0.161 4.185 4.340 0.010 0.000 0.202 86 Q C 1.782 177.804 176.000 0.038 0.000 0.970 86 Q CA 1.636 57.495 55.803 0.093 0.000 0.855 86 Q CB -0.149 28.727 28.738 0.230 0.000 0.911 86 Q HN 0.152 nan 8.270 nan 0.000 0.438 87 K N -0.072 120.298 120.400 -0.050 0.000 2.031 87 K HA -0.033 4.293 4.320 0.010 0.000 0.205 87 K C 1.886 178.449 176.600 -0.061 0.000 1.049 87 K CA 0.946 57.194 56.287 -0.064 0.000 0.939 87 K CB -0.007 32.429 32.500 -0.107 0.000 0.717 87 K HN 0.231 nan 8.250 nan 0.000 0.438 88 L N 1.426 122.507 121.223 -0.237 0.000 2.156 88 L HA -0.118 4.228 4.340 0.010 0.000 0.208 88 L C 2.556 179.441 176.870 0.026 0.000 1.095 88 L CA 1.533 56.256 54.840 -0.195 0.000 0.770 88 L CB -1.023 40.689 42.059 -0.578 0.000 0.914 88 L HN 0.459 nan 8.230 nan 0.000 0.439 89 Q N -0.890 118.917 119.800 0.011 0.000 2.084 89 Q HA -0.256 4.089 4.340 0.010 0.000 0.202 89 Q C 2.322 178.412 176.000 0.150 0.000 0.978 89 Q CA 1.554 57.415 55.803 0.095 0.000 0.844 89 Q CB -0.104 28.650 28.738 0.026 0.000 0.898 89 Q HN 0.461 nan 8.270 nan 0.000 0.426 90 H N -0.669 118.436 119.070 0.059 0.000 2.389 90 H HA -0.134 4.427 4.556 0.010 0.000 0.299 90 H C 1.772 177.152 175.328 0.087 0.000 1.081 90 H CA 1.534 57.617 56.048 0.058 0.000 1.345 90 H CB -0.119 29.666 29.762 0.039 0.000 1.393 90 H HN 0.391 nan 8.280 nan 0.000 0.520 91 F N 1.883 121.895 119.950 0.102 0.000 2.113 91 F HA -0.154 4.377 4.527 0.008 0.000 0.297 91 F C 1.947 177.745 175.800 -0.004 0.000 1.103 91 F CA 1.500 59.520 58.000 0.033 0.000 1.248 91 F CB -0.211 38.786 39.000 -0.004 0.000 0.999 91 F HN 0.029 nan 8.300 nan 0.000 0.475 92 D N -1.027 119.412 120.400 0.064 0.000 2.218 92 D HA -0.171 4.475 4.640 0.010 0.000 0.204 92 D C 1.301 177.451 176.300 -0.251 0.000 0.976 92 D CA 1.411 55.362 54.000 -0.081 0.000 0.853 92 D CB -0.531 40.310 40.800 0.067 0.000 0.939 92 D HN 0.521 nan 8.370 nan 0.000 0.481 93 H N 0.007 118.961 119.070 -0.193 0.000 2.488 93 H HA 0.203 4.764 4.556 0.008 0.000 0.294 93 H C 0.934 176.101 175.328 -0.269 0.000 1.088 93 H CA -0.077 55.850 56.048 -0.201 0.000 1.086 93 H CB 0.593 30.253 29.762 -0.170 0.000 1.569 93 H HN 0.263 nan 8.280 nan 0.000 0.548 94 E N 0.748 120.794 120.200 -0.258 0.000 2.152 94 E HA -0.036 4.320 4.350 0.010 0.000 0.192 94 E C 0.545 176.971 176.600 -0.290 0.000 0.983 94 E CA 0.451 56.659 56.400 -0.318 0.000 0.818 94 E CB 0.444 29.920 29.700 -0.372 0.000 0.758 94 E HN 0.210 nan 8.360 nan 0.000 0.467 95 R N 1.443 121.814 120.500 -0.215 0.000 2.390 95 R HA 0.294 4.640 4.340 0.010 0.000 0.291 95 R C 0.477 176.761 176.300 -0.027 0.000 1.070 95 R CA -0.113 55.918 56.100 -0.114 0.000 1.014 95 R CB 0.584 30.812 30.300 -0.120 0.000 1.007 95 R HN 0.197 nan 8.270 nan 0.000 0.466 96 I N -0.587 120.027 120.570 0.072 0.000 2.910 96 I HA 0.595 4.771 4.170 0.010 0.000 0.310 96 I C -2.209 173.919 176.117 0.018 0.000 1.043 96 I CA -2.968 58.368 61.300 0.060 0.000 1.053 96 I CB 1.791 39.858 38.000 0.113 0.000 1.242 96 I HN 0.246 nan 8.210 nan 0.000 0.452 97 P HA 0.128 nan 4.420 nan 0.000 0.268 97 P C -0.833 176.445 177.300 -0.037 0.000 1.204 97 P CA -0.110 62.970 63.100 -0.034 0.000 0.768 97 P CB 0.471 32.141 31.700 -0.051 0.000 0.842 98 E N 2.731 122.923 120.200 -0.012 0.000 2.391 98 E HA 0.153 4.509 4.350 0.010 0.000 0.255 98 E C -0.480 176.108 176.600 -0.020 0.000 1.187 98 E CA -0.771 55.629 56.400 0.000 0.000 0.941 98 E CB 0.563 30.279 29.700 0.026 0.000 1.010 98 E HN 0.266 nan 8.360 nan 0.000 0.458 99 R N 0.621 121.119 120.500 -0.004 0.000 2.570 99 R HA -0.006 4.339 4.340 0.010 0.000 0.277 99 R C 1.057 177.365 176.300 0.013 0.000 1.039 99 R CA 0.011 56.107 56.100 -0.007 0.000 1.065 99 R CB 0.821 31.141 30.300 0.034 0.000 0.964 99 R HN 0.541 nan 8.270 nan 0.000 0.428 100 V N 3.821 123.733 119.914 -0.004 0.000 2.392 100 V HA -0.130 3.996 4.120 0.010 0.000 0.249 100 V C 0.585 176.712 176.094 0.054 0.000 1.059 100 V CA 1.873 64.182 62.300 0.016 0.000 1.051 100 V CB 0.182 32.009 31.823 0.007 0.000 0.658 100 V HN 0.551 nan 8.190 nan 0.000 0.455 101 V N -4.348 115.629 119.914 0.105 0.000 3.130 101 V HA 0.580 4.706 4.120 0.010 0.000 0.310 101 V C 0.087 176.333 176.094 0.254 0.000 1.158 101 V CA -0.698 61.701 62.300 0.165 0.000 1.029 101 V CB 1.463 33.466 31.823 0.299 0.000 1.057 101 V HN 0.484 nan 8.190 nan 0.000 0.436 102 H N 0.395 119.517 119.070 0.086 0.000 2.756 102 H HA -0.209 4.353 4.556 0.009 0.000 0.315 102 H C 1.382 176.752 175.328 0.070 0.000 1.210 102 H CA 0.706 56.802 56.048 0.081 0.000 1.150 102 H CB -1.075 28.731 29.762 0.073 0.000 1.463 102 H HN 1.183 nan 8.280 nan 0.000 0.427 103 A N 0.871 123.767 122.820 0.127 0.000 1.897 103 A HA -0.072 4.254 4.320 0.010 0.000 0.215 103 A C 1.697 179.361 177.584 0.133 0.000 1.181 103 A CA 1.103 53.204 52.037 0.108 0.000 0.620 103 A CB 0.030 19.072 19.000 0.071 0.000 0.821 103 A HN 0.262 nan 8.150 nan 0.000 0.443 104 R N 0.466 121.045 120.500 0.132 0.000 2.242 104 R HA 0.493 4.839 4.340 0.010 0.000 0.334 104 R C -0.039 176.390 176.300 0.215 0.000 1.071 104 R CA 0.765 56.964 56.100 0.165 0.000 0.922 104 R CB -0.078 30.308 30.300 0.143 0.000 1.023 104 R HN 0.435 nan 8.270 nan 0.000 0.458 105 G N 0.962 109.912 108.800 0.251 0.000 2.608 105 G HA2 0.715 4.681 3.960 0.010 0.000 0.291 105 G HA3 0.715 4.681 3.960 0.010 0.000 0.291 105 G C -1.887 173.199 174.900 0.309 0.000 1.425 105 G CA -0.168 45.079 45.100 0.246 0.000 0.787 105 G HN 0.733 nan 8.290 nan 0.000 0.484 106 A N -1.316 121.630 122.820 0.210 0.000 2.589 106 A HA 0.976 5.302 4.320 0.010 0.000 0.296 106 A C -0.099 177.511 177.584 0.043 0.000 1.062 106 A CA 0.211 52.413 52.037 0.275 0.000 0.686 106 A CB 1.651 20.925 19.000 0.456 0.000 1.282 106 A HN 2.171 nan 8.150 nan 0.000 0.404 107 G N -0.801 108.009 108.800 0.017 0.000 2.798 107 G HA2 1.031 4.997 3.960 0.010 0.000 0.286 107 G HA3 1.031 4.997 3.960 0.010 0.000 0.286 107 G C -0.641 174.061 174.900 -0.330 0.000 1.389 107 G CA -0.103 44.799 45.100 -0.329 0.000 0.894 107 G HN 2.231 nan 8.290 nan 0.000 0.488 108 A N -0.686 121.612 122.820 -0.870 0.000 2.599 108 A HA 0.688 5.014 4.320 0.010 0.000 0.294 108 A C -1.104 176.065 177.584 -0.692 0.000 1.055 108 A CA -0.749 50.994 52.037 -0.490 0.000 0.683 108 A CB 0.729 19.622 19.000 -0.178 0.000 1.278 108 A HN 0.746 nan 8.150 nan 0.000 0.412 109 H N -0.200 118.789 119.070 -0.134 0.000 2.505 109 H HA 0.682 5.244 4.556 0.010 0.000 0.355 109 H C 0.620 175.921 175.328 -0.045 0.000 1.179 109 H CA 0.737 56.787 56.048 0.003 0.000 1.343 109 H CB 1.816 31.638 29.762 0.100 0.000 1.501 109 H HN 1.126 nan 8.280 nan 0.000 0.569 110 G N 0.317 109.190 108.800 0.121 0.000 2.619 110 G HA2 0.412 4.378 3.960 0.010 0.000 0.305 110 G HA3 0.412 4.378 3.960 0.010 0.000 0.305 110 G C -1.705 173.269 174.900 0.123 0.000 1.330 110 G CA -0.498 44.654 45.100 0.087 0.000 0.789 110 G HN 0.395 nan 8.290 nan 0.000 0.487 111 I N 0.562 121.217 120.570 0.142 0.000 2.534 111 I HA 0.381 4.557 4.170 0.010 0.000 0.288 111 I C -1.383 174.893 176.117 0.265 0.000 1.077 111 I CA -0.613 60.799 61.300 0.186 0.000 1.051 111 I CB 1.643 39.723 38.000 0.132 0.000 1.234 111 I HN 0.499 nan 8.210 nan 0.000 0.425 112 F N 5.793 125.871 119.950 0.214 0.000 2.404 112 F HA 0.584 5.117 4.527 0.010 0.000 0.339 112 F C -0.100 175.854 175.800 0.256 0.000 1.105 112 F CA 0.110 58.291 58.000 0.302 0.000 1.087 112 F CB 1.327 40.641 39.000 0.523 0.000 1.143 112 F HN 0.379 nan 8.300 nan 0.000 0.491 113 T N 4.571 118.704 114.554 -0.702 0.000 2.840 113 T HA 0.244 4.599 4.350 0.010 0.000 0.287 113 T C -0.684 173.483 174.700 -0.888 0.000 0.991 113 T CA -0.620 61.164 62.100 -0.528 0.000 0.964 113 T CB 1.274 70.030 68.868 -0.187 0.000 0.954 113 T HN 0.623 nan 8.240 nan 0.000 0.438 114 S N 1.920 117.356 115.700 -0.441 0.000 2.523 114 S HA 0.254 4.730 4.470 0.010 0.000 0.275 114 S C 0.476 175.122 174.600 0.077 0.000 1.281 114 S CA -0.487 57.638 58.200 -0.125 0.000 1.050 114 S CB 0.154 63.475 63.200 0.201 0.000 0.937 114 S HN 0.598 nan 8.310 nan 0.000 0.492 115 Y N 3.617 124.038 120.300 0.202 0.000 2.561 115 Y HA 0.291 4.847 4.550 0.010 0.000 0.291 115 Y C 1.544 177.471 175.900 0.044 0.000 1.141 115 Y CA 0.273 58.465 58.100 0.154 0.000 1.303 115 Y CB -0.425 38.176 38.460 0.235 0.000 1.015 115 Y HN 0.788 nan 8.280 nan 0.000 0.547 116 G N -1.435 107.423 108.800 0.098 0.000 2.488 116 G HA2 0.194 4.160 3.960 0.010 0.000 0.301 116 G HA3 0.194 4.160 3.960 0.010 0.000 0.301 116 G C -1.949 172.579 174.900 -0.620 0.000 1.339 116 G CA -0.862 44.003 45.100 -0.391 0.000 0.803 116 G HN -0.169 nan 8.290 nan 0.000 0.482 117 D N -0.290 119.748 120.400 -0.604 0.000 2.339 117 D HA 0.288 4.934 4.640 0.010 0.000 0.241 117 D C -0.399 175.562 176.300 -0.564 0.000 1.183 117 D CA -0.444 53.305 54.000 -0.418 0.000 0.859 117 D CB 0.570 41.229 40.800 -0.235 0.000 1.067 117 D HN 0.343 nan 8.370 nan 0.000 0.484 118 W N 2.768 124.040 121.300 -0.047 0.000 2.817 118 W HA 0.134 4.800 4.660 0.010 0.000 0.433 118 W C 1.843 178.321 176.519 -0.068 0.000 0.838 118 W CA -0.445 56.866 57.345 -0.058 0.000 2.356 118 W CB 0.008 29.420 29.460 -0.080 0.000 1.216 118 W HN 0.394 nan 8.180 nan 0.000 0.793 119 S N 0.125 115.861 115.700 0.060 0.000 2.447 119 S HA -0.251 4.225 4.470 0.010 0.000 0.233 119 S C 1.797 176.422 174.600 0.041 0.000 1.006 119 S CA 1.455 59.674 58.200 0.033 0.000 0.957 119 S CB -0.441 62.757 63.200 -0.002 0.000 0.773 119 S HN 0.456 nan 8.310 nan 0.000 0.507 120 N N 2.975 121.706 118.700 0.053 0.000 2.459 120 N HA -0.064 4.681 4.740 0.010 0.000 0.181 120 N C 1.530 177.079 175.510 0.065 0.000 1.046 120 N CA 1.411 54.492 53.050 0.051 0.000 0.904 120 N CB -0.661 37.854 38.487 0.047 0.000 0.964 120 N HN 0.826 nan 8.380 nan 0.000 0.444 121 I N -5.228 115.397 120.570 0.092 0.000 4.312 121 I HA 0.365 4.541 4.170 0.010 0.000 0.324 121 I C 0.196 176.315 176.117 0.003 0.000 1.298 121 I CA -0.132 61.197 61.300 0.048 0.000 1.231 121 I CB 0.783 38.814 38.000 0.052 0.000 1.152 121 I HN -0.032 nan 8.210 nan 0.000 0.421 122 T N 0.269 114.831 114.554 0.013 0.000 3.012 122 T HA 0.641 4.997 4.350 0.010 0.000 0.330 122 T C 0.039 174.721 174.700 -0.029 0.000 1.321 122 T CA 0.058 62.136 62.100 -0.037 0.000 1.067 122 T CB 1.894 70.707 68.868 -0.091 0.000 1.235 122 T HN 0.156 nan 8.240 nan 0.000 0.479 123 A N 2.513 125.308 122.820 -0.041 0.000 2.251 123 A HA 0.669 4.995 4.320 0.010 0.000 0.209 123 A C 1.336 178.890 177.584 -0.049 0.000 1.187 123 A CA 0.558 52.586 52.037 -0.016 0.000 0.823 123 A CB -0.681 18.340 19.000 0.036 0.000 0.846 123 A HN 1.307 nan 8.150 nan 0.000 0.486 124 A N 0.131 122.880 122.820 -0.118 0.000 2.566 124 A HA 0.281 4.607 4.320 0.010 0.000 0.245 124 A C 1.490 178.996 177.584 -0.129 0.000 1.056 124 A CA 0.707 52.645 52.037 -0.165 0.000 0.757 124 A CB 0.011 18.799 19.000 -0.353 0.000 0.979 124 A HN 0.461 nan 8.150 nan 0.000 0.508 125 S N 1.872 117.570 115.700 -0.003 0.000 2.383 125 S HA -0.138 4.337 4.470 0.010 0.000 0.227 125 S C 1.534 176.183 174.600 0.082 0.000 1.026 125 S CA 1.829 60.060 58.200 0.051 0.000 0.981 125 S CB -0.546 62.713 63.200 0.099 0.000 0.818 125 S HN 1.067 nan 8.310 nan 0.000 0.472 126 F N 0.711 120.666 119.950 0.008 0.000 2.604 126 F HA 0.323 4.856 4.527 0.010 0.000 0.298 126 F C 0.942 176.837 175.800 0.160 0.000 1.131 126 F CA 0.467 58.511 58.000 0.075 0.000 1.457 126 F CB -0.253 38.754 39.000 0.011 0.000 1.095 126 F HN 0.078 nan 8.300 nan 0.000 0.574 127 L N 0.911 121.789 121.223 -0.574 0.000 3.017 127 L HA 0.415 4.760 4.340 0.010 0.000 0.255 127 L C 1.805 178.686 176.870 0.019 0.000 1.247 127 L CA 0.123 54.827 54.840 -0.227 0.000 1.038 127 L CB 0.225 42.026 42.059 -0.429 0.000 1.380 127 L HN 0.340 nan 8.230 nan 0.000 0.548 128 G N -0.173 108.626 108.800 -0.001 0.000 2.939 128 G HA2 0.494 4.460 3.960 0.010 0.000 0.210 128 G HA3 0.494 4.460 3.960 0.010 0.000 0.210 128 G C 0.421 175.317 174.900 -0.008 0.000 1.160 128 G CA 0.739 45.840 45.100 0.003 0.000 0.770 128 G HN 0.385 nan 8.290 nan 0.000 0.543 129 A N -0.558 122.265 122.820 0.004 0.000 2.608 129 A HA 0.659 4.985 4.320 0.010 0.000 0.292 129 A C -0.824 176.753 177.584 -0.011 0.000 1.066 129 A CA -0.778 51.246 52.037 -0.023 0.000 0.676 129 A CB 0.976 19.978 19.000 0.003 0.000 1.277 129 A HN 0.094 nan 8.150 nan 0.000 0.413 130 K N 0.843 121.219 120.400 -0.040 0.000 2.350 130 K HA 0.348 4.674 4.320 0.010 0.000 0.279 130 K C -0.595 176.023 176.600 0.029 0.000 1.027 130 K CA 0.530 56.812 56.287 -0.009 0.000 0.969 130 K CB 0.152 32.629 32.500 -0.037 0.000 0.954 130 K HN 0.596 nan 8.250 nan 0.000 0.474 131 D N 1.288 121.723 120.400 0.058 0.000 3.012 131 D HA -0.188 4.458 4.640 0.010 0.000 0.222 131 D C -0.684 175.649 176.300 0.055 0.000 1.167 131 D CA 0.985 55.018 54.000 0.056 0.000 0.854 131 D CB -0.726 40.102 40.800 0.046 0.000 1.107 131 D HN 0.577 nan 8.370 nan 0.000 0.421 132 K N 1.110 121.551 120.400 0.069 0.000 2.316 132 K HA 0.187 4.513 4.320 0.010 0.000 0.289 132 K C 0.144 176.827 176.600 0.138 0.000 1.070 132 K CA -0.017 56.333 56.287 0.105 0.000 0.928 132 K CB 0.606 33.183 32.500 0.128 0.000 1.039 132 K HN 0.039 nan 8.250 nan 0.000 0.480 133 Q N 2.190 122.074 119.800 0.140 0.000 2.241 133 Q HA 0.277 4.623 4.340 0.010 0.000 0.254 133 Q C -0.935 175.210 176.000 0.243 0.000 0.917 133 Q CA -0.508 55.396 55.803 0.168 0.000 0.919 133 Q CB 2.173 30.981 28.738 0.116 0.000 1.237 133 Q HN 0.511 nan 8.270 nan 0.000 0.434 134 T N 3.313 118.072 114.554 0.342 0.000 2.921 134 T HA 0.412 4.768 4.350 0.010 0.000 0.297 134 T C -2.601 172.300 174.700 0.335 0.000 1.013 134 T CA -1.551 60.765 62.100 0.361 0.000 0.990 134 T CB 1.658 70.814 68.868 0.480 0.000 1.023 134 T HN 0.306 nan 8.240 nan 0.000 0.447 135 P HA 0.375 nan 4.420 nan 0.000 0.271 135 P C -0.835 176.663 177.300 0.331 0.000 1.218 135 P CA -0.447 62.792 63.100 0.231 0.000 0.780 135 P CB 0.564 32.331 31.700 0.112 0.000 0.901 136 V N -0.627 119.442 119.914 0.258 0.000 3.114 136 V HA 0.723 4.848 4.120 0.010 0.000 0.308 136 V C -1.434 174.779 176.094 0.199 0.000 1.168 136 V CA -0.998 61.394 62.300 0.153 0.000 1.015 136 V CB 2.258 33.989 31.823 -0.154 0.000 1.050 136 V HN 0.371 nan 8.190 nan 0.000 0.433 137 F N 2.011 121.936 119.950 -0.043 0.000 2.539 137 F HA 0.848 5.381 4.527 0.010 0.000 0.318 137 F C -0.881 174.766 175.800 -0.255 0.000 1.135 137 F CA -0.584 57.308 58.000 -0.179 0.000 0.915 137 F CB 2.094 40.996 39.000 -0.162 0.000 1.176 137 F HN 0.535 nan 8.300 nan 0.000 0.440 138 V N 6.523 125.868 119.914 -0.948 0.000 2.495 138 V HA 0.553 4.679 4.120 0.010 0.000 0.298 138 V C -0.617 174.749 176.094 -1.214 0.000 1.031 138 V CA -0.824 60.873 62.300 -1.005 0.000 0.871 138 V CB 1.776 32.889 31.823 -1.183 0.000 0.988 138 V HN 0.744 nan 8.190 nan 0.000 0.432 139 R N 3.628 123.547 120.500 -0.968 0.000 2.393 139 R HA 0.632 4.978 4.340 0.010 0.000 0.315 139 R C -1.530 174.169 176.300 -1.001 0.000 0.952 139 R CA -0.425 55.225 56.100 -0.749 0.000 0.842 139 R CB 1.086 31.295 30.300 -0.151 0.000 1.163 139 R HN 0.557 nan 8.270 nan 0.000 0.450 140 F N 1.656 121.187 119.950 -0.698 0.000 2.403 140 F HA 0.556 5.089 4.527 0.010 0.000 0.326 140 F C 0.578 176.103 175.800 -0.459 0.000 1.081 140 F CA -0.227 57.282 58.000 -0.819 0.000 1.041 140 F CB 2.031 40.044 39.000 -1.645 0.000 1.234 140 F HN 0.613 nan 8.300 nan 0.000 0.503 141 S N -1.355 114.376 115.700 0.052 0.000 2.615 141 S HA 0.593 5.069 4.470 0.010 0.000 0.268 141 S C -0.667 174.137 174.600 0.340 0.000 1.146 141 S CA -0.744 57.602 58.200 0.244 0.000 0.818 141 S CB 1.173 64.539 63.200 0.276 0.000 1.111 141 S HN 0.783 nan 8.310 nan 0.000 0.465 142 T N -1.414 113.269 114.554 0.216 0.000 2.920 142 T HA 0.738 5.094 4.350 0.010 0.000 0.292 142 T C 0.841 175.374 174.700 -0.279 0.000 1.093 142 T CA 0.037 62.122 62.100 -0.025 0.000 0.944 142 T CB 0.250 69.110 68.868 -0.013 0.000 1.605 142 T HN 0.707 nan 8.240 nan 0.000 0.590 143 V N -0.214 119.504 119.914 -0.327 0.000 3.001 143 V HA 0.355 4.481 4.120 0.010 0.000 0.228 143 V C 2.852 178.836 176.094 -0.184 0.000 1.204 143 V CA 0.705 62.724 62.300 -0.469 0.000 1.247 143 V CB -0.950 30.718 31.823 -0.258 0.000 1.093 143 V HN 0.997 nan 8.190 nan 0.000 0.504 144 A N 0.620 123.383 122.820 -0.094 0.000 1.930 144 A HA 0.251 4.576 4.320 0.010 0.000 0.215 144 A C 1.617 179.190 177.584 -0.018 0.000 1.176 144 A CA 1.146 53.155 52.037 -0.046 0.000 0.632 144 A CB -1.031 17.957 19.000 -0.019 0.000 0.819 144 A HN 0.594 nan 8.150 nan 0.000 0.445 145 G N 0.368 109.168 108.800 -0.001 0.000 2.380 145 G HA2 0.403 4.369 3.960 0.010 0.000 0.242 145 G HA3 0.403 4.369 3.960 0.010 0.000 0.242 145 G C 0.188 175.105 174.900 0.028 0.000 1.298 145 G CA 0.212 45.326 45.100 0.023 0.000 0.878 145 G HN 0.303 nan 8.290 nan 0.000 0.542 146 S N 0.663 116.379 115.700 0.026 0.000 2.641 146 S HA 0.249 4.724 4.470 0.010 0.000 0.261 146 S C 0.885 175.513 174.600 0.047 0.000 1.257 146 S CA -0.551 57.667 58.200 0.031 0.000 0.983 146 S CB 0.504 63.714 63.200 0.017 0.000 0.990 146 S HN 0.599 nan 8.310 nan 0.000 0.572 147 R N 0.413 120.943 120.500 0.050 0.000 2.484 147 R HA 0.335 4.681 4.340 0.010 0.000 0.293 147 R C 1.289 177.613 176.300 0.040 0.000 1.023 147 R CA 0.874 57.009 56.100 0.059 0.000 1.037 147 R CB -0.243 30.095 30.300 0.063 0.000 0.951 147 R HN 0.993 nan 8.270 nan 0.000 0.418 148 G N 1.441 110.265 108.800 0.040 0.000 2.213 148 G HA2 -0.320 3.645 3.960 0.010 0.000 0.226 148 G HA3 -0.320 3.645 3.960 0.010 0.000 0.226 148 G C 0.190 175.107 174.900 0.028 0.000 0.992 148 G CA 0.095 45.208 45.100 0.023 0.000 0.632 148 G HN 0.709 nan 8.290 nan 0.000 0.511 149 S N 0.602 116.327 115.700 0.042 0.000 2.584 149 S HA 0.704 5.180 4.470 0.010 0.000 0.270 149 S C 0.808 175.442 174.600 0.056 0.000 1.346 149 S CA 0.528 58.756 58.200 0.046 0.000 1.018 149 S CB 1.656 64.888 63.200 0.052 0.000 0.899 149 S HN 1.938 nan 8.310 nan 0.000 0.542 150 A N 1.058 123.906 122.820 0.047 0.000 2.407 150 A HA 0.267 4.593 4.320 0.010 0.000 0.248 150 A C 0.919 178.549 177.584 0.078 0.000 1.082 150 A CA -0.455 51.604 52.037 0.036 0.000 0.785 150 A CB -0.159 18.841 19.000 -0.000 0.000 1.020 150 A HN 0.908 nan 8.150 nan 0.000 0.489 151 D N 0.762 121.199 120.400 0.060 0.000 2.149 151 D HA -0.094 4.552 4.640 0.010 0.000 0.201 151 D C 1.811 178.189 176.300 0.130 0.000 0.972 151 D CA 2.209 56.284 54.000 0.126 0.000 0.835 151 D CB -0.213 40.575 40.800 -0.018 0.000 0.966 151 D HN 0.723 nan 8.370 nan 0.000 0.476 152 T N -1.414 113.117 114.554 -0.038 0.000 3.324 152 T HA 0.492 4.848 4.350 0.010 0.000 0.250 152 T C 0.584 175.340 174.700 0.093 0.000 1.059 152 T CA -0.463 61.629 62.100 -0.012 0.000 0.951 152 T CB -0.090 68.644 68.868 -0.224 0.000 1.030 152 T HN 0.041 nan 8.240 nan 0.000 0.576 153 A N 1.558 124.475 122.820 0.162 0.000 2.371 153 A HA 0.519 4.845 4.320 0.010 0.000 0.257 153 A C 0.577 178.348 177.584 0.311 0.000 1.089 153 A CA -0.827 51.350 52.037 0.233 0.000 0.794 153 A CB 0.200 19.306 19.000 0.176 0.000 1.029 153 A HN 0.602 nan 8.150 nan 0.000 0.488 154 R N 1.374 122.112 120.500 0.398 0.000 2.370 154 R HA 0.298 4.644 4.340 0.010 0.000 0.309 154 R C -1.262 175.121 176.300 0.138 0.000 1.059 154 R CA 0.262 56.520 56.100 0.263 0.000 0.981 154 R CB 0.140 30.485 30.300 0.075 0.000 0.972 154 R HN 0.851 nan 8.270 nan 0.000 0.437 155 D N 2.218 122.662 120.400 0.074 0.000 2.710 155 D HA 0.121 4.767 4.640 0.010 0.000 0.276 155 D C -1.202 175.030 176.300 -0.113 0.000 1.267 155 D CA -0.473 53.503 54.000 -0.041 0.000 0.772 155 D CB 1.794 42.520 40.800 -0.124 0.000 1.299 155 D HN 0.176 nan 8.370 nan 0.000 0.421 156 V N 2.405 122.302 119.914 -0.028 0.000 2.715 156 V HA 0.234 4.360 4.120 0.010 0.000 0.299 156 V C 0.222 176.272 176.094 -0.074 0.000 1.054 156 V CA 0.052 62.376 62.300 0.040 0.000 1.077 156 V CB 0.816 32.714 31.823 0.124 0.000 0.972 156 V HN 0.429 nan 8.190 nan 0.000 0.484 157 H N 2.096 121.292 119.070 0.210 0.000 2.492 157 H HA 0.471 5.033 4.556 0.010 0.000 0.345 157 H C 0.370 175.875 175.328 0.295 0.000 1.136 157 H CA -0.183 56.010 56.048 0.242 0.000 1.202 157 H CB 2.091 31.992 29.762 0.233 0.000 1.524 157 H HN 0.815 nan 8.280 nan 0.000 0.506 158 G N 0.925 109.986 108.800 0.435 0.000 2.476 158 G HA2 0.368 4.334 3.960 0.010 0.000 0.269 158 G HA3 0.368 4.334 3.960 0.010 0.000 0.269 158 G C -1.065 173.915 174.900 0.134 0.000 1.195 158 G CA -0.357 44.914 45.100 0.285 0.000 0.843 158 G HN 0.588 nan 8.290 nan 0.000 0.545 159 F N 1.780 121.619 119.950 -0.184 0.000 3.050 159 F HA 0.507 5.040 4.527 0.010 0.000 0.382 159 F C 0.127 175.575 175.800 -0.586 0.000 1.246 159 F CA -0.915 56.858 58.000 -0.377 0.000 1.217 159 F CB 0.869 39.750 39.000 -0.199 0.000 1.795 159 F HN 0.677 nan 8.300 nan 0.000 0.622 160 A N 2.991 125.461 122.820 -0.582 0.000 2.288 160 A HA 0.769 5.094 4.320 0.010 0.000 0.320 160 A C -0.526 176.484 177.584 -0.957 0.000 1.217 160 A CA -0.326 51.158 52.037 -0.921 0.000 0.840 160 A CB 0.974 19.030 19.000 -1.574 0.000 1.179 160 A HN 0.452 nan 8.150 nan 0.000 0.504 161 T N 2.157 116.322 114.554 -0.648 0.000 2.848 161 T HA 0.531 4.887 4.350 0.010 0.000 0.285 161 T C -0.170 174.277 174.700 -0.421 0.000 0.995 161 T CA -0.492 61.278 62.100 -0.550 0.000 0.970 161 T CB 1.246 69.715 68.868 -0.666 0.000 0.976 161 T HN 0.744 nan 8.240 nan 0.000 0.441 162 R N 2.268 122.584 120.500 -0.306 0.000 2.460 162 R HA 0.573 4.919 4.340 0.010 0.000 0.303 162 R C -1.493 174.381 176.300 -0.710 0.000 0.968 162 R CA -0.664 55.173 56.100 -0.438 0.000 0.889 162 R CB 0.617 30.640 30.300 -0.462 0.000 1.123 162 R HN 0.503 nan 8.270 nan 0.000 0.455 163 F N 4.550 124.221 119.950 -0.465 0.000 2.332 163 F HA 0.296 4.829 4.527 0.010 0.000 0.368 163 F C -0.573 175.023 175.800 -0.341 0.000 1.110 163 F CA -0.633 57.128 58.000 -0.399 0.000 1.087 163 F CB 0.995 39.593 39.000 -0.670 0.000 1.235 163 F HN 0.507 nan 8.300 nan 0.000 0.470 164 Y N 1.916 122.231 120.300 0.026 0.000 2.603 164 Y HA 0.119 4.675 4.550 0.009 0.000 0.341 164 Y C 1.320 177.256 175.900 0.060 0.000 1.272 164 Y CA -0.706 57.405 58.100 0.019 0.000 1.891 164 Y CB -0.770 37.697 38.460 0.010 0.000 1.910 164 Y HN 0.508 nan 8.280 nan 0.000 0.432 165 T N -3.478 111.158 114.554 0.136 0.000 2.788 165 T HA 0.052 4.408 4.350 0.010 0.000 0.280 165 T C 1.003 175.783 174.700 0.133 0.000 0.984 165 T CA -0.539 61.651 62.100 0.150 0.000 0.972 165 T CB 1.031 69.974 68.868 0.126 0.000 1.039 165 T HN 0.514 nan 8.240 nan 0.000 0.530 166 D N -0.990 119.492 120.400 0.136 0.000 2.363 166 D HA -0.001 4.645 4.640 0.010 0.000 0.226 166 D C 0.652 177.004 176.300 0.086 0.000 1.020 166 D CA 0.411 54.473 54.000 0.103 0.000 0.892 166 D CB -0.188 40.671 40.800 0.099 0.000 0.900 166 D HN 0.831 nan 8.370 nan 0.000 0.531 167 E N 0.203 120.457 120.200 0.090 0.000 3.385 167 E HA 0.487 4.843 4.350 0.010 0.000 0.206 167 E C -0.035 176.601 176.600 0.061 0.000 0.997 167 E CA -0.426 56.020 56.400 0.077 0.000 1.278 167 E CB 0.723 30.473 29.700 0.084 0.000 1.165 167 E HN 0.310 nan 8.360 nan 0.000 0.452 168 G N 1.453 110.280 108.800 0.044 0.000 2.619 168 G HA2 -0.194 3.772 3.960 0.010 0.000 0.686 168 G HA3 -0.194 3.772 3.960 0.010 0.000 0.686 168 G C -0.803 174.087 174.900 -0.016 0.000 1.256 168 G CA -1.166 43.937 45.100 0.006 0.000 0.826 168 G HN 0.165 nan 8.290 nan 0.000 0.619 169 N N -0.266 118.372 118.700 -0.104 0.000 2.475 169 N HA 0.477 5.223 4.740 0.010 0.000 0.267 169 N C -0.626 174.842 175.510 -0.070 0.000 1.169 169 N CA 0.128 53.063 53.050 -0.192 0.000 0.947 169 N CB 0.905 39.152 38.487 -0.400 0.000 1.061 169 N HN 0.518 nan 8.380 nan 0.000 0.466 170 F N 2.247 122.068 119.950 -0.216 0.000 2.449 170 F HA 0.340 4.873 4.527 0.010 0.000 0.342 170 F C -0.801 174.926 175.800 -0.122 0.000 1.127 170 F CA -1.265 56.633 58.000 -0.170 0.000 0.975 170 F CB 0.881 39.718 39.000 -0.271 0.000 1.146 170 F HN 0.243 nan 8.300 nan 0.000 0.444 171 D N 7.026 127.052 120.400 -0.623 0.000 2.308 171 D HA 0.366 5.012 4.640 0.010 0.000 0.242 171 D C -0.199 175.568 176.300 -0.888 0.000 1.059 171 D CA 0.093 53.758 54.000 -0.558 0.000 0.830 171 D CB 2.074 42.784 40.800 -0.150 0.000 1.161 171 D HN 0.456 nan 8.370 nan 0.000 0.494 172 I N 2.525 122.628 120.570 -0.779 0.000 2.316 172 I HA 0.118 4.294 4.170 0.010 0.000 0.286 172 I C -0.268 175.587 176.117 -0.437 0.000 1.107 172 I CA -0.677 60.222 61.300 -0.669 0.000 1.219 172 I CB 0.828 38.443 38.000 -0.643 0.000 1.455 172 I HN -0.037 nan 8.210 nan 0.000 0.498 173 V N 5.882 125.564 119.914 -0.386 0.000 2.372 173 V HA 0.515 4.641 4.120 0.010 0.000 0.261 173 V C 0.830 176.782 176.094 -0.237 0.000 1.055 173 V CA -0.078 61.993 62.300 -0.381 0.000 0.930 173 V CB 0.452 32.022 31.823 -0.422 0.000 1.031 173 V HN 0.832 nan 8.190 nan 0.000 0.479 174 G N 4.091 112.768 108.800 -0.204 0.000 3.022 174 G HA2 0.642 4.608 3.960 0.010 0.000 0.284 174 G HA3 0.642 4.608 3.960 0.010 0.000 0.284 174 G C -1.148 173.757 174.900 0.008 0.000 1.375 174 G CA -0.672 44.382 45.100 -0.078 0.000 0.902 174 G HN 0.489 nan 8.290 nan 0.000 0.538 175 N N -0.720 118.041 118.700 0.102 0.000 2.701 175 N HA 0.257 5.002 4.740 0.010 0.000 0.290 175 N C 0.553 176.243 175.510 0.299 0.000 1.338 175 N CA -0.750 52.428 53.050 0.213 0.000 0.799 175 N CB 1.443 40.050 38.487 0.199 0.000 1.491 175 N HN 0.557 nan 8.380 nan 0.000 0.540 176 N N 0.118 119.025 118.700 0.345 0.000 2.398 176 N HA 0.069 4.815 4.740 0.010 0.000 0.188 176 N C -0.363 175.359 175.510 0.353 0.000 1.122 176 N CA 0.418 53.702 53.050 0.391 0.000 0.866 176 N CB 0.565 39.267 38.487 0.358 0.000 0.970 176 N HN 0.469 nan 8.380 nan 0.000 0.462 177 I N 1.427 122.052 120.570 0.091 0.000 2.465 177 I HA 0.260 4.436 4.170 0.010 0.000 0.291 177 I C -1.581 174.061 176.117 -0.791 0.000 1.014 177 I CA -2.411 58.598 61.300 -0.486 0.000 1.093 177 I CB 2.759 40.499 38.000 -0.433 0.000 1.267 177 I HN -0.251 nan 8.210 nan 0.000 0.431 178 P HA -0.050 nan 4.420 nan 0.000 0.225 178 P C 0.200 177.057 177.300 -0.738 0.000 1.156 178 P CA 0.883 63.162 63.100 -1.368 0.000 0.787 178 P CB 0.154 30.773 31.700 -1.802 0.000 0.802 179 V N -4.109 115.323 119.914 -0.804 0.000 2.815 179 V HA 0.671 4.797 4.120 0.010 0.000 0.314 179 V C -0.655 175.225 176.094 -0.356 0.000 1.064 179 V CA -1.360 60.654 62.300 -0.477 0.000 0.952 179 V CB 1.883 33.404 31.823 -0.504 0.000 1.020 179 V HN -0.175 nan 8.190 nan 0.000 0.439 180 F N 1.237 120.983 119.950 -0.340 0.000 2.556 180 F HA 0.674 5.206 4.527 0.009 0.000 0.327 180 F C 0.806 176.507 175.800 -0.164 0.000 1.059 180 F CA -1.329 56.509 58.000 -0.269 0.000 0.953 180 F CB 1.972 40.915 39.000 -0.095 0.000 1.227 180 F HN 0.550 nan 8.300 nan 0.000 0.478 181 F N 2.332 121.912 119.950 -0.616 0.000 2.069 181 F HA -0.124 4.409 4.527 0.010 0.000 0.298 181 F C 1.048 176.859 175.800 0.018 0.000 1.113 181 F CA 1.505 59.335 58.000 -0.283 0.000 1.214 181 F CB -0.413 38.383 39.000 -0.340 0.000 0.978 181 F HN 0.190 nan 8.300 nan 0.000 0.474 182 I N -2.284 118.529 120.570 0.405 0.000 2.822 182 I HA 0.330 4.506 4.170 0.010 0.000 0.312 182 I C 0.337 176.683 176.117 0.383 0.000 1.011 182 I CA -0.780 60.757 61.300 0.395 0.000 1.105 182 I CB 1.497 39.768 38.000 0.452 0.000 1.291 182 I HN -0.012 nan 8.210 nan 0.000 0.474 183 Q N 0.212 120.204 119.800 0.321 0.000 2.317 183 Q HA 0.218 4.564 4.340 0.010 0.000 0.220 183 Q C -0.610 175.583 176.000 0.321 0.000 0.873 183 Q CA 0.207 56.226 55.803 0.360 0.000 0.936 183 Q CB 0.737 29.745 28.738 0.450 0.000 1.105 183 Q HN 0.624 nan 8.270 nan 0.000 0.520 184 D N -1.029 119.526 120.400 0.258 0.000 2.780 184 D HA 0.335 4.981 4.640 0.010 0.000 0.242 184 D C -0.200 176.219 176.300 0.198 0.000 1.135 184 D CA -0.278 53.832 54.000 0.184 0.000 0.859 184 D CB 1.922 42.797 40.800 0.125 0.000 1.530 184 D HN 0.001 nan 8.370 nan 0.000 0.493 185 A N 3.849 126.756 122.820 0.144 0.000 2.067 185 A HA -0.084 4.242 4.320 0.010 0.000 0.219 185 A C 2.111 179.788 177.584 0.155 0.000 1.158 185 A CA 0.561 52.680 52.037 0.137 0.000 0.661 185 A CB -0.422 18.606 19.000 0.047 0.000 0.801 185 A HN 0.732 nan 8.150 nan 0.000 0.452 186 I N -0.711 119.928 120.570 0.114 0.000 2.567 186 I HA -0.191 3.985 4.170 0.010 0.000 0.257 186 I C 1.786 177.980 176.117 0.128 0.000 1.184 186 I CA 0.966 62.324 61.300 0.096 0.000 1.451 186 I CB -0.027 38.006 38.000 0.055 0.000 1.089 186 I HN 0.275 nan 8.210 nan 0.000 0.441 187 R N -0.593 120.012 120.500 0.175 0.000 2.356 187 R HA -0.001 4.345 4.340 0.010 0.000 0.234 187 R C 1.574 177.990 176.300 0.195 0.000 0.929 187 R CA 0.062 56.275 56.100 0.188 0.000 1.084 187 R CB -0.134 30.306 30.300 0.234 0.000 1.105 187 R HN 0.282 nan 8.270 nan 0.000 0.515 188 F N 2.852 122.839 119.950 0.061 0.000 2.146 188 F HA 0.026 4.559 4.527 0.009 0.000 0.298 188 F C -0.905 174.825 175.800 -0.117 0.000 1.096 188 F CA 0.555 58.577 58.000 0.037 0.000 1.275 188 F CB -0.533 38.509 39.000 0.070 0.000 1.008 188 F HN -0.074 nan 8.300 nan 0.000 0.480 189 P HA -0.136 nan 4.420 nan 0.000 0.218 189 P C 1.112 178.022 177.300 -0.650 0.000 1.148 189 P CA 1.766 64.569 63.100 -0.496 0.000 0.822 189 P CB -0.068 31.457 31.700 -0.292 0.000 0.784 190 D N -0.698 119.492 120.400 -0.350 0.000 2.117 190 D HA -0.122 4.524 4.640 0.010 0.000 0.198 190 D C 1.931 177.771 176.300 -0.767 0.000 0.982 190 D CA 0.925 54.734 54.000 -0.318 0.000 0.828 190 D CB -0.693 40.089 40.800 -0.030 0.000 0.967 190 D HN 0.081 nan 8.370 nan 0.000 0.464 191 L N 1.092 121.775 121.223 -0.901 0.000 2.017 191 L HA -0.147 4.199 4.340 0.010 0.000 0.208 191 L C 2.076 178.399 176.870 -0.910 0.000 1.073 191 L CA 1.404 55.503 54.840 -1.236 0.000 0.745 191 L CB -0.417 41.260 42.059 -0.638 0.000 0.894 191 L HN -0.067 nan 8.230 nan 0.000 0.432 192 I N -0.741 119.354 120.570 -0.791 0.000 2.252 192 I HA -0.261 3.915 4.170 0.010 0.000 0.245 192 I C 2.510 178.409 176.117 -0.363 0.000 1.102 192 I CA 1.447 62.381 61.300 -0.609 0.000 1.385 192 I CB -1.520 36.057 38.000 -0.704 0.000 1.064 192 I HN 0.458 nan 8.210 nan 0.000 0.414 193 H N 0.560 119.407 119.070 -0.371 0.000 2.387 193 H HA -0.133 4.429 4.556 0.010 0.000 0.299 193 H C 2.487 177.662 175.328 -0.254 0.000 1.090 193 H CA 1.537 57.432 56.048 -0.255 0.000 1.332 193 H CB 0.227 29.866 29.762 -0.204 0.000 1.386 193 H HN 0.377 nan 8.280 nan 0.000 0.516 194 S N 0.660 116.193 115.700 -0.278 0.000 2.387 194 S HA -0.123 4.353 4.470 0.010 0.000 0.226 194 S C 2.285 176.713 174.600 -0.286 0.000 1.026 194 S CA 1.148 59.154 58.200 -0.324 0.000 0.972 194 S CB -0.680 62.177 63.200 -0.571 0.000 0.814 194 S HN 0.356 nan 8.310 nan 0.000 0.477 195 V N -1.640 118.076 119.914 -0.329 0.000 2.725 195 V HA 0.270 4.395 4.120 0.010 0.000 0.247 195 V C 0.909 177.020 176.094 0.029 0.000 1.058 195 V CA 0.134 62.314 62.300 -0.200 0.000 1.080 195 V CB -0.741 30.913 31.823 -0.281 0.000 0.713 195 V HN 0.126 nan 8.190 nan 0.000 0.465 196 K N 1.469 121.847 120.400 -0.037 0.000 2.230 196 K HA 0.312 4.638 4.320 0.010 0.000 0.253 196 K C -2.311 174.276 176.600 -0.022 0.000 1.008 196 K CA -1.690 54.585 56.287 -0.020 0.000 0.910 196 K CB -0.185 32.297 32.500 -0.030 0.000 0.994 196 K HN 0.247 nan 8.250 nan 0.000 0.495 197 P HA -0.040 nan 4.420 nan 0.000 0.268 197 P C -0.259 176.969 177.300 -0.120 0.000 1.208 197 P CA 0.067 63.066 63.100 -0.168 0.000 0.777 197 P CB 0.432 32.060 31.700 -0.119 0.000 0.875 198 S N 2.809 118.424 115.700 -0.141 0.000 2.537 198 S HA 0.081 4.557 4.470 0.010 0.000 0.286 198 S C -1.183 173.375 174.600 -0.070 0.000 1.299 198 S CA -1.016 57.141 58.200 -0.072 0.000 1.067 198 S CB -0.325 62.844 63.200 -0.053 0.000 0.864 198 S HN 0.322 nan 8.310 nan 0.000 0.494 199 P HA -0.042 nan 4.420 nan 0.000 0.229 199 P C 0.593 177.857 177.300 -0.061 0.000 1.160 199 P CA 0.696 63.748 63.100 -0.081 0.000 0.777 199 P CB -0.017 31.617 31.700 -0.110 0.000 0.814 200 D N 1.256 121.627 120.400 -0.049 0.000 2.120 200 D HA -0.136 4.510 4.640 0.010 0.000 0.202 200 D C 1.262 177.541 176.300 -0.034 0.000 0.972 200 D CA 1.318 55.295 54.000 -0.037 0.000 0.837 200 D CB -1.274 39.509 40.800 -0.028 0.000 0.989 200 D HN 0.216 nan 8.370 nan 0.000 0.469 201 N N -0.424 118.254 118.700 -0.037 0.000 2.181 201 N HA -0.013 4.733 4.740 0.010 0.000 0.207 201 N C -0.180 175.306 175.510 -0.041 0.000 1.182 201 N CA 0.294 53.324 53.050 -0.033 0.000 0.893 201 N CB -0.112 38.359 38.487 -0.027 0.000 1.032 201 N HN 0.305 nan 8.380 nan 0.000 0.513 202 E N -0.241 119.927 120.200 -0.053 0.000 2.271 202 E HA -0.151 4.205 4.350 0.010 0.000 0.223 202 E C -1.492 175.065 176.600 -0.071 0.000 1.223 202 E CA 0.097 56.460 56.400 -0.062 0.000 0.704 202 E CB -1.129 28.543 29.700 -0.047 0.000 1.194 202 E HN 0.204 nan 8.360 nan 0.000 0.375 203 V N 1.331 121.187 119.914 -0.096 0.000 2.841 203 V HA 0.606 4.731 4.120 0.010 0.000 0.310 203 V C -2.138 173.820 176.094 -0.228 0.000 1.090 203 V CA -1.220 61.013 62.300 -0.111 0.000 0.930 203 V CB 2.062 33.848 31.823 -0.061 0.000 1.014 203 V HN 0.177 nan 8.190 nan 0.000 0.425 204 P HA 0.409 nan 4.420 nan 0.000 0.285 204 P C -1.450 175.780 177.300 -0.117 0.000 1.269 204 P CA -0.822 62.188 63.100 -0.149 0.000 0.844 204 P CB 1.293 32.937 31.700 -0.093 0.000 1.094 205 Q N 1.762 121.540 119.800 -0.036 0.000 2.286 205 Q HA 0.455 4.801 4.340 0.010 0.000 0.257 205 Q C 0.104 176.121 176.000 0.029 0.000 0.941 205 Q CA 0.195 55.993 55.803 -0.009 0.000 0.912 205 Q CB -0.378 28.363 28.738 0.006 0.000 1.192 205 Q HN 0.671 nan 8.270 nan 0.000 0.410 206 A N 2.596 125.435 122.820 0.031 0.000 2.560 206 A HA 0.130 4.456 4.320 0.010 0.000 0.299 206 A C -0.233 177.415 177.584 0.107 0.000 1.484 206 A CA 1.051 53.124 52.037 0.061 0.000 0.749 206 A CB -1.894 17.146 19.000 0.067 0.000 1.072 206 A HN 1.466 nan 8.150 nan 0.000 0.426 207 A N -0.890 122.002 122.820 0.121 0.000 2.577 207 A HA 0.811 5.136 4.320 0.010 0.000 0.297 207 A C 0.605 178.353 177.584 0.273 0.000 1.060 207 A CA 0.542 52.691 52.037 0.187 0.000 0.697 207 A CB 0.344 19.462 19.000 0.196 0.000 1.281 207 A HN 1.684 nan 8.150 nan 0.000 0.402 208 T N -1.048 113.650 114.554 0.240 0.000 3.086 208 T HA 0.414 4.770 4.350 0.010 0.000 0.250 208 T C 0.821 175.676 174.700 0.259 0.000 1.074 208 T CA 0.830 63.036 62.100 0.177 0.000 0.988 208 T CB 0.013 68.957 68.868 0.127 0.000 0.988 208 T HN 1.646 nan 8.240 nan 0.000 0.530 209 A N 2.420 125.436 122.820 0.325 0.000 3.037 209 A HA 0.551 4.877 4.320 0.010 0.000 0.272 209 A C 0.058 177.784 177.584 0.237 0.000 1.723 209 A CA -0.656 51.484 52.037 0.171 0.000 1.413 209 A CB -1.318 17.521 19.000 -0.268 0.000 1.112 209 A HN 0.947 nan 8.150 nan 0.000 0.606 210 H N -3.451 115.730 119.070 0.185 0.000 2.967 210 H HA 0.461 5.023 4.556 0.010 0.000 0.318 210 H C -0.244 175.184 175.328 0.167 0.000 1.375 210 H CA -0.757 55.367 56.048 0.126 0.000 1.132 210 H CB 0.155 29.956 29.762 0.066 0.000 1.848 210 H HN 0.073 nan 8.280 nan 0.000 0.524 211 D N 0.348 120.843 120.400 0.159 0.000 2.116 211 D HA -0.226 4.419 4.640 0.010 0.000 0.193 211 D C 2.104 178.422 176.300 0.030 0.000 0.998 211 D CA 2.918 56.973 54.000 0.091 0.000 0.836 211 D CB -0.195 40.654 40.800 0.082 0.000 0.951 211 D HN 0.575 nan 8.370 nan 0.000 0.449 212 S N 0.275 115.978 115.700 0.005 0.000 2.382 212 S HA -0.108 4.368 4.470 0.010 0.000 0.228 212 S C 2.123 176.572 174.600 -0.251 0.000 1.027 212 S CA 1.096 59.258 58.200 -0.063 0.000 0.991 212 S CB -0.508 62.700 63.200 0.014 0.000 0.823 212 S HN 0.279 nan 8.310 nan 0.000 0.469 213 A N 1.066 123.583 122.820 -0.505 0.000 1.855 213 A HA 0.037 4.363 4.320 0.010 0.000 0.215 213 A C 1.887 178.899 177.584 -0.955 0.000 1.191 213 A CA 1.237 52.776 52.037 -0.829 0.000 0.613 213 A CB -1.335 17.156 19.000 -0.849 0.000 0.829 213 A HN 0.730 nan 8.150 nan 0.000 0.442 214 W N -0.054 121.018 121.300 -0.379 0.000 2.595 214 W HA 0.031 4.697 4.660 0.009 0.000 0.257 214 W C 1.775 178.263 176.519 -0.053 0.000 1.267 214 W CA 0.786 58.100 57.345 -0.051 0.000 1.300 214 W CB -0.141 29.357 29.460 0.063 0.000 1.120 214 W HN 0.500 nan 8.180 nan 0.000 0.618 215 D N -0.314 120.126 120.400 0.068 0.000 2.097 215 D HA -0.247 4.399 4.640 0.010 0.000 0.197 215 D C 1.868 178.167 176.300 -0.002 0.000 0.984 215 D CA 1.225 55.253 54.000 0.045 0.000 0.826 215 D CB -0.486 40.330 40.800 0.027 0.000 0.973 215 D HN 0.104 nan 8.370 nan 0.000 0.460 216 F N -0.204 119.583 119.950 -0.272 0.000 2.146 216 F HA -0.085 4.448 4.527 0.010 0.000 0.298 216 F C 1.802 177.486 175.800 -0.193 0.000 1.096 216 F CA 1.096 58.919 58.000 -0.295 0.000 1.275 216 F CB -0.269 38.450 39.000 -0.469 0.000 1.008 216 F HN -0.106 nan 8.300 nan 0.000 0.480 217 F N 0.512 120.433 119.950 -0.048 0.000 2.171 217 F HA -0.157 4.375 4.527 0.010 0.000 0.300 217 F C 2.947 178.694 175.800 -0.088 0.000 1.090 217 F CA 1.161 59.086 58.000 -0.126 0.000 1.293 217 F CB -1.713 37.154 39.000 -0.221 0.000 1.013 217 F HN 0.107 nan 8.300 nan 0.000 0.486 218 S N -1.449 114.349 115.700 0.163 0.000 2.395 218 S HA -0.091 4.385 4.470 0.010 0.000 0.225 218 S C 2.005 176.611 174.600 0.010 0.000 1.027 218 S CA 1.141 59.416 58.200 0.125 0.000 0.965 218 S CB -0.719 62.579 63.200 0.162 0.000 0.812 218 S HN 0.210 nan 8.310 nan 0.000 0.482 219 S N 0.705 116.357 115.700 -0.080 0.000 2.461 219 S HA 0.162 4.638 4.470 0.010 0.000 0.228 219 S C 0.827 175.273 174.600 -0.257 0.000 1.005 219 S CA 0.484 58.601 58.200 -0.138 0.000 0.942 219 S CB -0.118 63.002 63.200 -0.134 0.000 0.776 219 S HN 0.595 nan 8.310 nan 0.000 0.514 220 Q N 0.666 120.218 119.800 -0.414 0.000 2.798 220 Q HA 0.344 4.690 4.340 0.010 0.000 0.250 220 Q C -2.436 173.363 176.000 -0.334 0.000 1.006 220 Q CA -2.268 53.244 55.803 -0.486 0.000 0.759 220 Q CB 1.238 29.404 28.738 -0.955 0.000 1.201 220 Q HN -0.027 nan 8.270 nan 0.000 0.486 221 P HA -0.171 nan 4.420 nan 0.000 0.223 221 P C 0.846 177.893 177.300 -0.422 0.000 1.144 221 P CA 1.304 64.229 63.100 -0.291 0.000 0.783 221 P CB 0.269 31.797 31.700 -0.286 0.000 0.771 222 S N -0.499 114.867 115.700 -0.557 0.000 2.419 222 S HA -0.115 4.360 4.470 0.010 0.000 0.233 222 S C 1.991 176.553 174.600 -0.063 0.000 1.016 222 S CA 1.048 59.050 58.200 -0.331 0.000 0.974 222 S CB -1.248 61.817 63.200 -0.225 0.000 0.786 222 S HN 0.147 nan 8.310 nan 0.000 0.492 223 A N 1.485 124.310 122.820 0.008 0.000 2.168 223 A HA 0.316 4.642 4.320 0.010 0.000 0.215 223 A C 2.107 179.748 177.584 0.094 0.000 1.152 223 A CA 0.563 52.728 52.037 0.213 0.000 0.716 223 A CB -0.713 18.546 19.000 0.432 0.000 0.794 223 A HN 0.543 nan 8.150 nan 0.000 0.465 224 L N -1.485 119.745 121.223 0.012 0.000 2.079 224 L HA -0.265 4.081 4.340 0.010 0.000 0.210 224 L C 2.565 179.473 176.870 0.063 0.000 1.081 224 L CA 1.918 56.773 54.840 0.025 0.000 0.752 224 L CB -0.703 41.342 42.059 -0.023 0.000 0.896 224 L HN 0.650 nan 8.230 nan 0.000 0.433 225 H N -0.407 118.602 119.070 -0.102 0.000 2.293 225 H HA -0.167 4.395 4.556 0.010 0.000 0.300 225 H C 2.118 177.451 175.328 0.009 0.000 1.082 225 H CA 1.702 57.711 56.048 -0.065 0.000 1.308 225 H CB 0.322 30.048 29.762 -0.059 0.000 1.375 225 H HN 0.243 nan 8.280 nan 0.000 0.495 226 T N 1.604 116.040 114.554 -0.197 0.000 2.915 226 T HA -0.118 4.238 4.350 0.010 0.000 0.269 226 T C 2.151 176.667 174.700 -0.307 0.000 1.071 226 T CA 0.721 62.528 62.100 -0.489 0.000 1.132 226 T CB -0.222 67.950 68.868 -1.161 0.000 0.878 226 T HN 0.269 nan 8.240 nan 0.000 0.479 227 L N -0.188 120.951 121.223 -0.141 0.000 1.989 227 L HA -0.087 4.258 4.340 0.010 0.000 0.211 227 L C 2.195 179.110 176.870 0.075 0.000 1.071 227 L CA 1.698 56.468 54.840 -0.117 0.000 0.749 227 L CB -0.352 41.526 42.059 -0.302 0.000 0.890 227 L HN 0.262 nan 8.230 nan 0.000 0.431 228 F N -1.396 118.539 119.950 -0.025 0.000 2.126 228 F HA -0.301 4.231 4.527 0.010 0.000 0.299 228 F C 2.093 177.916 175.800 0.039 0.000 1.096 228 F CA 1.454 59.516 58.000 0.103 0.000 1.255 228 F CB -0.389 38.756 39.000 0.241 0.000 0.997 228 F HN 0.168 nan 8.300 nan 0.000 0.479 229 W N -0.158 121.024 121.300 -0.196 0.000 2.358 229 W HA -0.177 4.489 4.660 0.010 0.000 0.303 229 W C 2.564 179.044 176.519 -0.065 0.000 1.208 229 W CA 1.536 58.670 57.345 -0.352 0.000 1.274 229 W CB -0.802 28.308 29.460 -0.582 0.000 1.138 229 W HN -0.100 nan 8.180 nan 0.000 0.515 230 A N -0.863 122.042 122.820 0.141 0.000 2.015 230 A HA -0.142 4.184 4.320 0.010 0.000 0.219 230 A C 1.866 179.511 177.584 0.103 0.000 1.163 230 A CA 1.271 53.376 52.037 0.114 0.000 0.646 230 A CB -0.473 18.563 19.000 0.060 0.000 0.806 230 A HN 0.112 nan 8.150 nan 0.000 0.448 231 M N 0.439 120.087 119.600 0.080 0.000 2.558 231 M HA 0.037 4.523 4.480 0.010 0.000 0.255 231 M C 1.495 177.855 176.300 0.099 0.000 1.113 231 M CA 0.804 56.133 55.300 0.049 0.000 1.097 231 M CB -1.163 31.429 32.600 -0.014 0.000 1.426 231 M HN 0.564 nan 8.290 nan 0.000 0.488 232 S N -0.294 115.517 115.700 0.186 0.000 2.552 232 S HA 0.431 4.906 4.470 0.010 0.000 0.271 232 S C 1.520 176.263 174.600 0.237 0.000 1.168 232 S CA -0.013 58.327 58.200 0.234 0.000 1.026 232 S CB 0.107 63.513 63.200 0.344 0.000 1.120 232 S HN 0.323 nan 8.310 nan 0.000 0.514 233 G N 0.541 109.518 108.800 0.294 0.000 2.470 233 G HA2 -0.158 3.807 3.960 0.010 0.000 0.220 233 G HA3 -0.158 3.807 3.960 0.010 0.000 0.220 233 G C 1.062 176.099 174.900 0.228 0.000 1.121 233 G CA 0.622 45.895 45.100 0.289 0.000 0.766 233 G HN 0.695 nan 8.290 nan 0.000 0.553 234 N N 0.891 119.764 118.700 0.288 0.000 2.289 234 N HA -0.030 4.715 4.740 0.010 0.000 0.184 234 N C 2.243 177.948 175.510 0.324 0.000 1.016 234 N CA 1.137 54.374 53.050 0.313 0.000 0.872 234 N CB -0.413 38.339 38.487 0.441 0.000 0.973 234 N HN 0.291 nan 8.380 nan 0.000 0.433 235 G N 0.548 109.529 108.800 0.301 0.000 2.422 235 G HA2 -0.044 3.922 3.960 0.010 0.000 0.218 235 G HA3 -0.044 3.922 3.960 0.010 0.000 0.218 235 G C 0.657 175.802 174.900 0.408 0.000 1.140 235 G CA 0.486 45.777 45.100 0.319 0.000 0.775 235 G HN 0.460 nan 8.290 nan 0.000 0.545 236 I N -1.254 119.496 120.570 0.299 0.000 2.862 236 I HA 0.383 4.559 4.170 0.010 0.000 0.285 236 I C -2.839 173.380 176.117 0.169 0.000 1.339 236 I CA -2.647 58.818 61.300 0.276 0.000 1.002 236 I CB 1.900 40.050 38.000 0.250 0.000 1.618 236 I HN -0.200 nan 8.210 nan 0.000 0.593 237 P HA 0.186 nan 4.420 nan 0.000 0.276 237 P C 0.514 177.854 177.300 0.068 0.000 1.244 237 P CA -0.356 62.737 63.100 -0.012 0.000 0.801 237 P CB 1.627 33.222 31.700 -0.174 0.000 1.006 238 R N 2.107 122.620 120.500 0.020 0.000 2.080 238 R HA -0.073 4.273 4.340 0.010 0.000 0.236 238 R C 0.741 177.154 176.300 0.190 0.000 1.137 238 R CA 2.254 58.423 56.100 0.116 0.000 0.943 238 R CB -0.870 29.318 30.300 -0.187 0.000 0.846 238 R HN 0.732 nan 8.270 nan 0.000 0.431 239 S N -3.683 111.985 115.700 -0.054 0.000 2.672 239 S HA 0.260 4.736 4.470 0.010 0.000 0.271 239 S C 0.267 174.578 174.600 -0.483 0.000 1.171 239 S CA -0.679 57.321 58.200 -0.334 0.000 0.817 239 S CB -0.016 63.135 63.200 -0.083 0.000 1.150 239 S HN 0.083 nan 8.310 nan 0.000 0.478 240 Y N 1.061 121.008 120.300 -0.588 0.000 2.224 240 Y HA 0.073 4.629 4.550 0.009 0.000 0.289 240 Y C 2.620 178.172 175.900 -0.579 0.000 1.146 240 Y CA 1.265 58.850 58.100 -0.859 0.000 1.182 240 Y CB -0.684 36.941 38.460 -1.391 0.000 0.983 240 Y HN 0.573 nan 8.280 nan 0.000 0.524 241 R N -0.770 119.589 120.500 -0.236 0.000 2.189 241 R HA -0.094 4.251 4.340 0.010 0.000 0.223 241 R C 0.277 176.321 176.300 -0.426 0.000 1.092 241 R CA 1.156 57.087 56.100 -0.282 0.000 0.989 241 R CB -0.405 29.619 30.300 -0.461 0.000 0.876 241 R HN 0.488 nan 8.270 nan 0.000 0.457 242 H N -0.618 118.367 119.070 -0.142 0.000 2.577 242 H HA 0.290 4.851 4.556 0.010 0.000 0.306 242 H C -0.306 174.995 175.328 -0.045 0.000 1.109 242 H CA -0.085 55.883 56.048 -0.134 0.000 1.063 242 H CB 0.140 29.771 29.762 -0.218 0.000 1.535 242 H HN -0.071 nan 8.280 nan 0.000 0.532 243 M N 0.353 120.045 119.600 0.152 0.000 2.393 243 M HA 0.263 4.749 4.480 0.010 0.000 0.316 243 M C -0.765 175.774 176.300 0.399 0.000 1.087 243 M CA -0.966 54.467 55.300 0.222 0.000 0.937 243 M CB 2.126 34.821 32.600 0.158 0.000 1.668 243 M HN 0.075 nan 8.290 nan 0.000 0.438 244 D N 1.289 121.861 120.400 0.286 0.000 2.329 244 D HA 0.578 5.224 4.640 0.010 0.000 0.246 244 D C -0.046 176.253 176.300 -0.001 0.000 1.111 244 D CA 0.271 54.363 54.000 0.153 0.000 0.941 244 D CB 1.428 42.222 40.800 -0.010 0.000 1.169 244 D HN 0.773 nan 8.370 nan 0.000 0.441 245 G N -0.147 108.420 108.800 -0.389 0.000 2.482 245 G HA2 0.633 4.599 3.960 0.010 0.000 0.317 245 G HA3 0.633 4.599 3.960 0.010 0.000 0.317 245 G C -1.444 172.941 174.900 -0.858 0.000 1.241 245 G CA -0.540 44.198 45.100 -0.603 0.000 0.967 245 G HN 0.255 nan 8.290 nan 0.000 0.482 246 F N -0.079 119.787 119.950 -0.140 0.000 2.581 246 F HA 0.473 5.006 4.527 0.009 0.000 0.311 246 F C 1.115 176.835 175.800 -0.133 0.000 1.113 246 F CA -0.570 57.313 58.000 -0.195 0.000 0.935 246 F CB 2.592 41.442 39.000 -0.250 0.000 1.232 246 F HN 0.600 nan 8.300 nan 0.000 0.445 247 G N 1.531 110.394 108.800 0.105 0.000 2.534 247 G HA2 0.044 4.010 3.960 0.010 0.000 0.217 247 G HA3 0.044 4.010 3.960 0.010 0.000 0.217 247 G C 1.257 176.240 174.900 0.139 0.000 1.128 247 G CA 0.966 46.189 45.100 0.206 0.000 0.784 247 G HN 0.817 nan 8.290 nan 0.000 0.542 248 I N -1.255 119.327 120.570 0.020 0.000 4.624 248 I HA -0.326 3.850 4.170 0.010 0.000 0.049 248 I C 0.574 176.599 176.117 -0.152 0.000 0.621 248 I CA 1.549 62.751 61.300 -0.163 0.000 0.836 248 I CB -1.348 36.448 38.000 -0.340 0.000 0.765 248 I HN 0.259 nan 8.210 nan 0.000 0.159 249 H N 2.523 121.594 119.070 0.001 0.000 2.771 249 H HA 0.196 4.758 4.556 0.010 0.000 0.364 249 H C 0.121 175.355 175.328 -0.157 0.000 1.133 249 H CA 0.654 56.603 56.048 -0.165 0.000 1.423 249 H CB 0.345 29.826 29.762 -0.467 0.000 1.425 249 H HN 0.219 nan 8.280 nan 0.000 0.606 250 T N 4.131 118.662 114.554 -0.038 0.000 2.761 250 T HA 0.219 4.575 4.350 0.010 0.000 0.296 250 T C 0.191 174.786 174.700 -0.175 0.000 0.934 250 T CA -0.026 62.052 62.100 -0.036 0.000 1.091 250 T CB -0.231 68.644 68.868 0.012 0.000 0.896 250 T HN 0.212 nan 8.240 nan 0.000 0.515 251 F N 1.456 121.437 119.950 0.052 0.000 2.585 251 F HA 0.614 5.147 4.527 0.009 0.000 0.350 251 F C 1.053 176.843 175.800 -0.017 0.000 1.074 251 F CA -1.262 56.780 58.000 0.070 0.000 1.032 251 F CB 1.308 40.408 39.000 0.167 0.000 1.330 251 F HN 0.186 nan 8.300 nan 0.000 0.495 252 R N 0.918 121.549 120.500 0.219 0.000 2.562 252 R HA 0.611 4.957 4.340 0.010 0.000 0.298 252 R C -1.602 174.697 176.300 -0.001 0.000 0.961 252 R CA -0.785 55.349 56.100 0.057 0.000 0.881 252 R CB 1.622 31.940 30.300 0.030 0.000 1.159 252 R HN 0.481 nan 8.270 nan 0.000 0.450 253 L N 3.706 124.892 121.223 -0.062 0.000 2.280 253 L HA 0.489 4.835 4.340 0.010 0.000 0.287 253 L C -0.670 176.148 176.870 -0.087 0.000 1.023 253 L CA -0.916 53.867 54.840 -0.095 0.000 0.819 253 L CB 1.753 43.731 42.059 -0.134 0.000 1.212 253 L HN 0.275 nan 8.230 nan 0.000 0.420 254 V N 1.475 121.318 119.914 -0.119 0.000 2.581 254 V HA 0.559 4.685 4.120 0.010 0.000 0.303 254 V C 0.425 176.495 176.094 -0.041 0.000 1.041 254 V CA -0.589 61.653 62.300 -0.097 0.000 0.907 254 V CB 2.026 33.717 31.823 -0.219 0.000 0.994 254 V HN 0.853 nan 8.190 nan 0.000 0.442 255 T N 0.032 114.608 114.554 0.036 0.000 2.910 255 T HA 0.435 4.791 4.350 0.010 0.000 0.279 255 T C 0.857 175.650 174.700 0.154 0.000 0.989 255 T CA -0.478 61.661 62.100 0.066 0.000 0.968 255 T CB 1.470 70.362 68.868 0.040 0.000 1.135 255 T HN 0.477 nan 8.240 nan 0.000 0.562 256 E N 1.016 121.277 120.200 0.102 0.000 2.070 256 E HA -0.157 4.198 4.350 0.010 0.000 0.197 256 E C 1.681 178.279 176.600 -0.003 0.000 1.004 256 E CA 1.968 58.408 56.400 0.067 0.000 0.805 256 E CB -0.440 29.269 29.700 0.014 0.000 0.744 256 E HN 0.878 nan 8.360 nan 0.000 0.451 257 D N -1.814 118.590 120.400 0.006 0.000 2.371 257 D HA 0.015 4.660 4.640 0.010 0.000 0.221 257 D C 1.275 177.574 176.300 -0.002 0.000 0.986 257 D CA 0.964 54.950 54.000 -0.022 0.000 0.899 257 D CB -0.116 40.678 40.800 -0.011 0.000 0.902 257 D HN 0.274 nan 8.370 nan 0.000 0.530 258 G N -0.398 108.452 108.800 0.084 0.000 2.176 258 G HA2 -0.260 3.705 3.960 0.010 0.000 0.232 258 G HA3 -0.260 3.705 3.960 0.010 0.000 0.232 258 G C 0.153 175.113 174.900 0.101 0.000 0.986 258 G CA -0.070 45.130 45.100 0.167 0.000 0.643 258 G HN 0.335 nan 8.290 nan 0.000 0.522 259 K N 1.610 122.045 120.400 0.058 0.000 2.368 259 K HA 0.456 4.782 4.320 0.010 0.000 0.282 259 K C 0.560 177.174 176.600 0.022 0.000 1.035 259 K CA 0.740 57.046 56.287 0.031 0.000 0.973 259 K CB 1.309 33.820 32.500 0.020 0.000 0.957 259 K HN 0.666 nan 8.250 nan 0.000 0.474 260 S N 2.403 118.109 115.700 0.010 0.000 2.600 260 S HA 0.642 5.118 4.470 0.010 0.000 0.300 260 S C -0.709 173.884 174.600 -0.011 0.000 1.087 260 S CA -1.011 57.184 58.200 -0.008 0.000 0.965 260 S CB 2.293 65.487 63.200 -0.010 0.000 1.089 260 S HN 0.448 nan 8.310 nan 0.000 0.496 261 K N 0.891 121.276 120.400 -0.025 0.000 2.464 261 K HA 0.458 4.784 4.320 0.010 0.000 0.253 261 K C -1.195 175.383 176.600 -0.038 0.000 0.933 261 K CA -0.641 55.629 56.287 -0.028 0.000 0.801 261 K CB 1.989 34.466 32.500 -0.037 0.000 1.271 261 K HN 0.567 nan 8.250 nan 0.000 0.430 262 L N 2.204 123.412 121.223 -0.024 0.000 2.416 262 L HA 0.351 4.696 4.340 0.010 0.000 0.272 262 L C -0.127 176.705 176.870 -0.064 0.000 1.161 262 L CA -0.431 54.396 54.840 -0.021 0.000 0.845 262 L CB 0.815 42.875 42.059 0.003 0.000 1.119 262 L HN 0.293 nan 8.230 nan 0.000 0.464 263 V N 3.964 123.823 119.914 -0.092 0.000 2.841 263 V HA 0.495 4.621 4.120 0.010 0.000 0.310 263 V C -0.930 175.034 176.094 -0.217 0.000 1.090 263 V CA -0.745 61.416 62.300 -0.232 0.000 0.930 263 V CB 2.242 33.791 31.823 -0.457 0.000 1.014 263 V HN 0.630 nan 8.190 nan 0.000 0.425 264 K N 5.081 125.348 120.400 -0.220 0.000 2.292 264 K HA 0.408 4.734 4.320 0.010 0.000 0.257 264 K C -1.289 175.166 176.600 -0.242 0.000 0.940 264 K CA -0.162 56.047 56.287 -0.129 0.000 0.811 264 K CB 1.894 34.430 32.500 0.061 0.000 1.120 264 K HN 0.715 nan 8.250 nan 0.000 0.428 265 W N 2.546 123.800 121.300 -0.076 0.000 2.315 265 W HA 0.238 4.904 4.660 0.010 0.000 0.316 265 W C 0.751 176.991 176.519 -0.466 0.000 1.211 265 W CA -0.294 56.917 57.345 -0.223 0.000 1.201 265 W CB 0.799 30.120 29.460 -0.231 0.000 1.184 265 W HN 0.316 nan 8.180 nan 0.000 0.544 266 H N 1.500 120.522 119.070 -0.080 0.000 2.771 266 H HA 0.177 4.739 4.556 0.010 0.000 0.361 266 H C -1.526 173.541 175.328 -0.435 0.000 1.108 266 H CA -1.321 54.586 56.048 -0.235 0.000 1.201 266 H CB 1.375 31.076 29.762 -0.101 0.000 1.681 266 H HN 0.467 nan 8.280 nan 0.000 0.534 267 W N 3.228 124.380 121.300 -0.246 0.000 2.361 267 W HA 0.303 4.969 4.660 0.010 0.000 0.314 267 W C -0.178 176.341 176.519 0.001 0.000 1.041 267 W CA -0.839 56.402 57.345 -0.173 0.000 1.241 267 W CB 1.233 30.335 29.460 -0.597 0.000 1.279 267 W HN 0.138 nan 8.180 nan 0.000 0.436 268 K N 2.916 123.548 120.400 0.386 0.000 2.292 268 K HA 0.211 4.536 4.320 0.010 0.000 0.270 268 K C 0.085 176.869 176.600 0.306 0.000 1.062 268 K CA -0.612 55.840 56.287 0.275 0.000 0.916 268 K CB 1.277 33.880 32.500 0.172 0.000 1.166 268 K HN 0.310 nan 8.250 nan 0.000 0.458 269 T N 2.612 117.317 114.554 0.252 0.000 2.888 269 T HA 0.040 4.396 4.350 0.010 0.000 0.301 269 T C 1.082 175.696 174.700 -0.143 0.000 1.001 269 T CA 0.010 62.058 62.100 -0.086 0.000 1.147 269 T CB 0.300 69.129 68.868 -0.065 0.000 0.931 269 T HN 0.302 nan 8.240 nan 0.000 0.541 270 K N 3.650 123.882 120.400 -0.280 0.000 2.365 270 K HA 0.022 4.348 4.320 0.010 0.000 0.197 270 K C 1.884 178.366 176.600 -0.198 0.000 1.042 270 K CA 0.776 56.957 56.287 -0.177 0.000 0.987 270 K CB 0.152 32.555 32.500 -0.162 0.000 0.779 270 K HN 0.628 nan 8.250 nan 0.000 0.484 271 Q N -0.118 119.496 119.800 -0.310 0.000 2.389 271 Q HA 0.133 4.479 4.340 0.010 0.000 0.204 271 Q C 0.403 176.329 176.000 -0.124 0.000 0.944 271 Q CA 0.496 56.130 55.803 -0.282 0.000 0.908 271 Q CB 0.519 28.918 28.738 -0.565 0.000 1.002 271 Q HN 0.390 nan 8.270 nan 0.000 0.493 272 G N 0.694 109.435 108.800 -0.098 0.000 2.705 272 G HA2 -0.211 3.755 3.960 0.010 0.000 0.686 272 G HA3 -0.211 3.755 3.960 0.010 0.000 0.686 272 G C -1.112 173.790 174.900 0.003 0.000 1.285 272 G CA -0.883 44.199 45.100 -0.030 0.000 0.800 272 G HN 0.071 nan 8.290 nan 0.000 0.611 273 K N 0.241 120.630 120.400 -0.018 0.000 2.270 273 K HA 0.637 4.963 4.320 0.010 0.000 0.276 273 K C 0.455 176.932 176.600 -0.205 0.000 1.023 273 K CA 0.495 56.759 56.287 -0.038 0.000 0.955 273 K CB 1.355 33.859 32.500 0.006 0.000 0.975 273 K HN 1.462 nan 8.250 nan 0.000 0.471 274 A N 1.238 123.891 122.820 -0.278 0.000 2.589 274 A HA 0.760 5.085 4.320 0.010 0.000 0.296 274 A C -1.742 175.616 177.584 -0.376 0.000 1.062 274 A CA -0.620 51.090 52.037 -0.545 0.000 0.686 274 A CB 1.834 20.216 19.000 -1.030 0.000 1.282 274 A HN 0.689 nan 8.150 nan 0.000 0.404 275 A N 0.999 123.593 122.820 -0.377 0.000 2.587 275 A HA 0.816 5.142 4.320 0.010 0.000 0.293 275 A C -0.923 176.751 177.584 0.149 0.000 1.087 275 A CA -0.536 51.436 52.037 -0.108 0.000 0.692 275 A CB 0.789 19.726 19.000 -0.105 0.000 1.291 275 A HN 1.000 nan 8.150 nan 0.000 0.407 276 L N 0.483 121.796 121.223 0.149 0.000 2.440 276 L HA 0.698 5.044 4.340 0.010 0.000 0.262 276 L C 0.395 177.256 176.870 -0.015 0.000 1.072 276 L CA -1.108 53.783 54.840 0.086 0.000 0.798 276 L CB 1.145 43.180 42.059 -0.041 0.000 1.307 276 L HN 0.672 nan 8.230 nan 0.000 0.475 277 V N -2.766 117.052 119.914 -0.159 0.000 2.837 277 V HA 0.148 4.274 4.120 0.010 0.000 0.310 277 V C 0.724 176.704 176.094 -0.189 0.000 1.059 277 V CA -0.602 61.529 62.300 -0.281 0.000 1.004 277 V CB 1.494 33.202 31.823 -0.192 0.000 1.045 277 V HN 0.947 nan 8.190 nan 0.000 0.465 278 W N 2.306 123.424 121.300 -0.303 0.000 2.355 278 W HA -0.138 4.527 4.660 0.009 0.000 0.309 278 W C 2.190 178.527 176.519 -0.305 0.000 1.206 278 W CA 2.088 59.265 57.345 -0.281 0.000 1.284 278 W CB 0.156 29.445 29.460 -0.284 0.000 1.145 278 W HN 0.962 nan 8.180 nan 0.000 0.502 279 E N 0.636 120.628 120.200 -0.347 0.000 2.204 279 E HA -0.305 4.051 4.350 0.010 0.000 0.195 279 E C 1.733 177.932 176.600 -0.670 0.000 0.990 279 E CA 1.758 57.926 56.400 -0.386 0.000 0.821 279 E CB -0.974 28.755 29.700 0.049 0.000 0.750 279 E HN 0.538 nan 8.360 nan 0.000 0.477 280 E N 1.142 120.704 120.200 -1.063 0.000 2.072 280 E HA -0.073 4.283 4.350 0.010 0.000 0.190 280 E C 2.130 178.138 176.600 -0.987 0.000 0.982 280 E CA 0.940 56.346 56.400 -1.656 0.000 0.803 280 E CB -0.087 28.736 29.700 -1.460 0.000 0.755 280 E HN 0.292 nan 8.360 nan 0.000 0.453 281 A N 0.935 123.319 122.820 -0.726 0.000 1.933 281 A HA -0.222 4.104 4.320 0.010 0.000 0.218 281 A C 2.086 179.282 177.584 -0.646 0.000 1.175 281 A CA 1.453 53.146 52.037 -0.572 0.000 0.628 281 A CB -0.466 18.332 19.000 -0.337 0.000 0.814 281 A HN 0.327 nan 8.150 nan 0.000 0.444 282 Q N -0.541 118.731 119.800 -0.880 0.000 2.050 282 Q HA -0.124 4.222 4.340 0.010 0.000 0.202 282 Q C 2.178 177.927 176.000 -0.418 0.000 0.980 282 Q CA 1.786 57.153 55.803 -0.727 0.000 0.840 282 Q CB -0.330 27.914 28.738 -0.823 0.000 0.898 282 Q HN 0.510 nan 8.270 nan 0.000 0.424 283 V N 1.019 120.699 119.914 -0.390 0.000 2.427 283 V HA -0.222 3.904 4.120 0.010 0.000 0.248 283 V C 2.158 178.103 176.094 -0.248 0.000 1.051 283 V CA 1.164 63.327 62.300 -0.228 0.000 1.048 283 V CB -0.471 31.293 31.823 -0.099 0.000 0.666 283 V HN 0.301 nan 8.190 nan 0.000 0.456 284 L N 1.167 122.161 121.223 -0.381 0.000 2.083 284 L HA -0.045 4.301 4.340 0.010 0.000 0.209 284 L C 2.443 179.137 176.870 -0.294 0.000 1.083 284 L CA 2.200 56.800 54.840 -0.399 0.000 0.752 284 L CB -1.005 40.686 42.059 -0.613 0.000 0.899 284 L HN 0.226 nan 8.230 nan 0.000 0.433 285 A N -0.798 121.864 122.820 -0.264 0.000 1.972 285 A HA -0.061 4.265 4.320 0.010 0.000 0.219 285 A C 2.275 179.793 177.584 -0.111 0.000 1.169 285 A CA 1.584 53.521 52.037 -0.167 0.000 0.635 285 A CB -1.291 17.620 19.000 -0.147 0.000 0.810 285 A HN 0.524 nan 8.150 nan 0.000 0.446 286 G N -0.958 107.774 108.800 -0.114 0.000 2.441 286 G HA2 -0.035 3.930 3.960 0.010 0.000 0.212 286 G HA3 -0.035 3.930 3.960 0.010 0.000 0.212 286 G C 1.622 176.484 174.900 -0.063 0.000 1.164 286 G CA 0.540 45.597 45.100 -0.070 0.000 0.811 286 G HN 0.349 nan 8.290 nan 0.000 0.535 287 K N 0.163 120.513 120.400 -0.084 0.000 2.062 287 K HA -0.018 4.308 4.320 0.010 0.000 0.205 287 K C 0.233 176.795 176.600 -0.064 0.000 1.051 287 K CA 0.606 56.852 56.287 -0.068 0.000 0.941 287 K CB -0.070 32.380 32.500 -0.083 0.000 0.719 287 K HN 0.288 nan 8.250 nan 0.000 0.440 288 N N -0.708 117.941 118.700 -0.084 0.000 2.621 288 N HA 0.218 4.963 4.740 0.010 0.000 0.271 288 N C -0.306 175.182 175.510 -0.036 0.000 1.181 288 N CA 0.023 53.050 53.050 -0.039 0.000 0.805 288 N CB 1.329 39.823 38.487 0.011 0.000 1.351 288 N HN -0.035 nan 8.380 nan 0.000 0.539 289 A N 1.864 124.667 122.820 -0.028 0.000 2.067 289 A HA -0.037 4.289 4.320 0.010 0.000 0.219 289 A C 0.781 178.369 177.584 0.008 0.000 1.158 289 A CA 1.055 53.080 52.037 -0.019 0.000 0.661 289 A CB 0.011 19.005 19.000 -0.011 0.000 0.801 289 A HN 0.648 nan 8.150 nan 0.000 0.452 290 D N -1.162 119.248 120.400 0.017 0.000 2.460 290 D HA 0.106 4.752 4.640 0.010 0.000 0.229 290 D C 0.701 177.021 176.300 0.033 0.000 1.170 290 D CA -0.212 53.803 54.000 0.024 0.000 0.827 290 D CB -0.035 40.760 40.800 -0.009 0.000 0.973 290 D HN 0.422 nan 8.370 nan 0.000 0.496 291 F N 1.240 121.095 119.950 -0.158 0.000 2.134 291 F HA -0.185 4.347 4.527 0.009 0.000 0.299 291 F C 1.911 177.620 175.800 -0.152 0.000 1.097 291 F CA 1.783 59.663 58.000 -0.200 0.000 1.264 291 F CB -0.043 38.756 39.000 -0.334 0.000 1.001 291 F HN 0.131 nan 8.300 nan 0.000 0.479 292 H N -0.871 118.067 119.070 -0.220 0.000 2.384 292 H HA 0.004 4.566 4.556 0.010 0.000 0.300 292 H C 2.288 177.393 175.328 -0.372 0.000 1.057 292 H CA 0.909 56.621 56.048 -0.560 0.000 1.370 292 H CB -0.028 29.198 29.762 -0.893 0.000 1.417 292 H HN 0.227 nan 8.280 nan 0.000 0.527 293 R N 0.857 121.411 120.500 0.091 0.000 2.115 293 R HA -0.117 4.229 4.340 0.010 0.000 0.226 293 R C 2.058 178.466 176.300 0.180 0.000 1.100 293 R CA 1.414 57.673 56.100 0.265 0.000 0.980 293 R CB -0.136 30.345 30.300 0.301 0.000 0.875 293 R HN 0.217 nan 8.270 nan 0.000 0.445 294 Q N 1.697 121.525 119.800 0.047 0.000 2.079 294 Q HA -0.190 4.156 4.340 0.010 0.000 0.200 294 Q C 1.863 177.885 176.000 0.036 0.000 0.974 294 Q CA 2.144 57.966 55.803 0.031 0.000 0.840 294 Q CB -0.334 28.381 28.738 -0.038 0.000 0.898 294 Q HN 0.497 nan 8.270 nan 0.000 0.430 295 D N -0.647 119.680 120.400 -0.122 0.000 2.104 295 D HA -0.185 4.461 4.640 0.010 0.000 0.194 295 D C 1.855 178.142 176.300 -0.022 0.000 0.994 295 D CA 1.356 55.260 54.000 -0.160 0.000 0.830 295 D CB 0.053 40.626 40.800 -0.377 0.000 0.959 295 D HN 0.363 nan 8.370 nan 0.000 0.452 296 L N 0.855 122.104 121.223 0.045 0.000 2.046 296 L HA -0.104 4.242 4.340 0.010 0.000 0.208 296 L C 2.235 179.205 176.870 0.167 0.000 1.077 296 L CA 1.511 56.425 54.840 0.124 0.000 0.747 296 L CB -0.948 41.271 42.059 0.266 0.000 0.896 296 L HN 0.295 nan 8.230 nan 0.000 0.432 297 W N 0.617 121.948 121.300 0.051 0.000 2.355 297 W HA -0.222 4.444 4.660 0.010 0.000 0.309 297 W C 1.964 178.503 176.519 0.033 0.000 1.206 297 W CA 1.875 59.255 57.345 0.058 0.000 1.284 297 W CB -0.249 29.253 29.460 0.070 0.000 1.145 297 W HN 0.278 nan 8.180 nan 0.000 0.502 298 D N 0.326 120.897 120.400 0.286 0.000 2.144 298 D HA -0.141 4.505 4.640 0.010 0.000 0.199 298 D C 2.320 178.651 176.300 0.051 0.000 0.984 298 D CA 1.970 56.070 54.000 0.167 0.000 0.834 298 D CB -0.844 40.031 40.800 0.125 0.000 0.955 298 D HN 0.136 nan 8.370 nan 0.000 0.465 299 A N 0.631 123.465 122.820 0.022 0.000 1.908 299 A HA -0.151 4.175 4.320 0.010 0.000 0.218 299 A C 2.355 179.911 177.584 -0.046 0.000 1.181 299 A CA 1.010 53.036 52.037 -0.018 0.000 0.627 299 A CB -0.681 18.297 19.000 -0.037 0.000 0.818 299 A HN 0.213 nan 8.150 nan 0.000 0.445 300 I N -0.688 119.834 120.570 -0.080 0.000 2.286 300 I HA -0.158 4.018 4.170 0.010 0.000 0.245 300 I C 2.399 178.429 176.117 -0.145 0.000 1.104 300 I CA 1.009 62.233 61.300 -0.127 0.000 1.397 300 I CB -0.344 37.539 38.000 -0.195 0.000 1.072 300 I HN 0.292 nan 8.210 nan 0.000 0.417 301 E N 0.814 120.912 120.200 -0.171 0.000 2.106 301 E HA -0.156 4.200 4.350 0.010 0.000 0.192 301 E C 2.278 178.855 176.600 -0.038 0.000 0.984 301 E CA 1.683 58.014 56.400 -0.115 0.000 0.806 301 E CB -0.244 29.420 29.700 -0.059 0.000 0.750 301 E HN 0.498 nan 8.360 nan 0.000 0.458 302 S N -0.744 114.946 115.700 -0.017 0.000 2.561 302 S HA 0.129 4.605 4.470 0.010 0.000 0.225 302 S C 1.505 176.099 174.600 -0.011 0.000 0.977 302 S CA 0.698 58.898 58.200 0.000 0.000 0.926 302 S CB 0.133 63.342 63.200 0.015 0.000 0.769 302 S HN 0.307 nan 8.310 nan 0.000 0.533 303 G N 1.564 110.347 108.800 -0.027 0.000 2.132 303 G HA2 -0.197 3.768 3.960 0.010 0.000 0.228 303 G HA3 -0.197 3.768 3.960 0.010 0.000 0.228 303 G C -0.167 174.716 174.900 -0.028 0.000 1.000 303 G CA -0.054 45.030 45.100 -0.026 0.000 0.693 303 G HN 0.527 nan 8.290 nan 0.000 0.515 304 N N 0.914 119.593 118.700 -0.035 0.000 2.914 304 N HA 0.489 5.235 4.740 0.010 0.000 0.304 304 N C 0.590 176.061 175.510 -0.064 0.000 1.727 304 N CA 0.483 53.506 53.050 -0.044 0.000 0.986 304 N CB 1.092 39.556 38.487 -0.037 0.000 1.297 304 N HN 0.713 nan 8.380 nan 0.000 0.490 305 A N 2.195 124.981 122.820 -0.058 0.000 2.524 305 A HA 0.264 4.589 4.320 0.010 0.000 0.250 305 A C -1.802 175.721 177.584 -0.102 0.000 1.078 305 A CA -0.609 51.394 52.037 -0.057 0.000 0.761 305 A CB -0.087 18.896 19.000 -0.028 0.000 1.012 305 A HN 0.215 nan 8.150 nan 0.000 0.500 306 P HA 0.357 nan 4.420 nan 0.000 0.277 306 P C -0.502 176.572 177.300 -0.377 0.000 1.240 306 P CA -0.204 62.675 63.100 -0.367 0.000 0.798 306 P CB 1.269 32.684 31.700 -0.474 0.000 0.979 307 S N 0.657 115.999 115.700 -0.596 0.000 2.570 307 S HA 0.625 5.101 4.470 0.010 0.000 0.286 307 S C -1.234 173.090 174.600 -0.460 0.000 1.099 307 S CA -0.486 57.547 58.200 -0.278 0.000 0.913 307 S CB 1.333 64.485 63.200 -0.079 0.000 1.085 307 S HN 0.445 nan 8.310 nan 0.000 0.480 308 W N 1.083 122.476 121.300 0.155 0.000 3.022 308 W HA 0.399 5.065 4.660 0.010 0.000 0.335 308 W C -0.482 176.282 176.519 0.407 0.000 1.133 308 W CA -0.571 56.941 57.345 0.278 0.000 1.219 308 W CB 1.433 31.088 29.460 0.324 0.000 1.409 308 W HN 0.581 nan 8.180 nan 0.000 0.507 309 E N 1.986 122.515 120.200 0.549 0.000 2.174 309 E HA 0.193 4.549 4.350 0.010 0.000 0.282 309 E C -0.677 176.128 176.600 0.343 0.000 0.992 309 E CA -0.945 55.695 56.400 0.401 0.000 0.803 309 E CB 1.884 31.749 29.700 0.274 0.000 1.090 309 E HN 0.107 nan 8.360 nan 0.000 0.396 310 L N 3.623 124.966 121.223 0.200 0.000 2.369 310 L HA 0.328 4.674 4.340 0.010 0.000 0.279 310 L C -0.685 176.127 176.870 -0.096 0.000 1.108 310 L CA 0.312 55.009 54.840 -0.239 0.000 0.852 310 L CB 0.224 42.151 42.059 -0.219 0.000 1.169 310 L HN 0.565 nan 8.230 nan 0.000 0.452 311 A N 4.882 127.639 122.820 -0.104 0.000 2.384 311 A HA 0.888 5.214 4.320 0.010 0.000 0.312 311 A C -1.105 176.468 177.584 -0.017 0.000 1.113 311 A CA -0.154 51.854 52.037 -0.048 0.000 0.779 311 A CB 1.884 20.871 19.000 -0.022 0.000 1.307 311 A HN 1.013 nan 8.150 nan 0.000 0.436 312 V N -1.177 118.682 119.914 -0.092 0.000 2.888 312 V HA 0.646 4.772 4.120 0.010 0.000 0.309 312 V C -0.964 175.069 176.094 -0.101 0.000 1.114 312 V CA -0.745 61.476 62.300 -0.131 0.000 0.940 312 V CB 1.499 33.099 31.823 -0.372 0.000 1.021 312 V HN 0.863 nan 8.190 nan 0.000 0.426 313 Q N 3.495 123.275 119.800 -0.034 0.000 2.368 313 Q HA 0.620 4.966 4.340 0.010 0.000 0.256 313 Q C -1.142 174.816 176.000 -0.070 0.000 0.980 313 Q CA -0.387 55.398 55.803 -0.029 0.000 0.887 313 Q CB 2.032 30.811 28.738 0.069 0.000 1.221 313 Q HN 0.730 nan 8.270 nan 0.000 0.458 314 L N 4.362 125.541 121.223 -0.075 0.000 2.276 314 L HA 0.483 4.829 4.340 0.010 0.000 0.286 314 L C -0.581 176.277 176.870 -0.020 0.000 1.061 314 L CA -0.520 54.278 54.840 -0.071 0.000 0.807 314 L CB 0.565 42.581 42.059 -0.071 0.000 1.177 314 L HN 0.473 nan 8.230 nan 0.000 0.429 315 I N 1.687 122.252 120.570 -0.008 0.000 2.608 315 I HA 0.333 4.508 4.170 0.010 0.000 0.295 315 I C -0.242 175.891 176.117 0.027 0.000 1.049 315 I CA -0.591 60.732 61.300 0.038 0.000 1.063 315 I CB 1.778 39.820 38.000 0.070 0.000 1.248 315 I HN 0.390 nan 8.210 nan 0.000 0.424 316 D N 3.926 124.349 120.400 0.037 0.000 2.344 316 D HA 0.098 4.744 4.640 0.010 0.000 0.244 316 D C 1.004 177.307 176.300 0.005 0.000 1.134 316 D CA -0.177 53.832 54.000 0.015 0.000 0.930 316 D CB 1.186 41.992 40.800 0.011 0.000 1.175 316 D HN 0.470 nan 8.370 nan 0.000 0.437 317 E N 0.800 120.998 120.200 -0.003 0.000 2.110 317 E HA -0.165 4.190 4.350 0.010 0.000 0.193 317 E C 1.184 177.771 176.600 -0.022 0.000 0.988 317 E CA 1.026 57.422 56.400 -0.007 0.000 0.804 317 E CB -0.039 29.658 29.700 -0.004 0.000 0.745 317 E HN 0.532 nan 8.360 nan 0.000 0.458 318 D N 0.409 120.791 120.400 -0.031 0.000 2.363 318 D HA -0.108 4.537 4.640 0.010 0.000 0.220 318 D C 0.610 176.855 176.300 -0.090 0.000 0.994 318 D CA 0.508 54.477 54.000 -0.052 0.000 0.890 318 D CB -0.223 40.549 40.800 -0.047 0.000 0.906 318 D HN 0.095 nan 8.370 nan 0.000 0.530 319 K N 0.242 120.587 120.400 -0.092 0.000 2.681 319 K HA 0.472 4.798 4.320 0.010 0.000 0.211 319 K C 1.039 177.549 176.600 -0.150 0.000 1.075 319 K CA -0.029 56.150 56.287 -0.179 0.000 1.141 319 K CB 1.069 33.476 32.500 -0.155 0.000 0.896 319 K HN 0.065 nan 8.250 nan 0.000 0.470 320 A N 1.103 123.860 122.820 -0.106 0.000 1.968 320 A HA -0.122 4.204 4.320 0.010 0.000 0.217 320 A C 1.387 178.878 177.584 -0.155 0.000 1.169 320 A CA 1.063 53.052 52.037 -0.080 0.000 0.638 320 A CB 0.036 19.015 19.000 -0.037 0.000 0.812 320 A HN 0.372 nan 8.150 nan 0.000 0.446 321 Q N -1.399 118.283 119.800 -0.197 0.000 2.233 321 Q HA 0.520 4.866 4.340 0.010 0.000 0.340 321 Q C 0.486 176.292 176.000 -0.324 0.000 0.899 321 Q CA 0.275 55.940 55.803 -0.229 0.000 1.139 321 Q CB 0.891 29.555 28.738 -0.124 0.000 1.273 321 Q HN 0.492 nan 8.270 nan 0.000 0.431 322 A N -0.431 122.082 122.820 -0.512 0.000 2.343 322 A HA 0.176 4.501 4.320 0.010 0.000 0.223 322 A C 0.335 177.387 177.584 -0.887 0.000 1.214 322 A CA 0.116 51.740 52.037 -0.688 0.000 0.900 322 A CB 0.177 18.683 19.000 -0.823 0.000 0.942 322 A HN 0.409 nan 8.150 nan 0.000 0.507 323 Y N -0.563 119.411 120.300 -0.543 0.000 2.751 323 Y HA 0.426 4.982 4.550 0.010 0.000 0.289 323 Y C 1.530 177.190 175.900 -0.399 0.000 1.110 323 Y CA 0.115 57.821 58.100 -0.657 0.000 1.251 323 Y CB 0.397 38.367 38.460 -0.817 0.000 1.178 323 Y HN 0.349 nan 8.280 nan 0.000 0.540 324 G N 0.572 109.262 108.800 -0.183 0.000 2.162 324 G HA2 -0.323 3.643 3.960 0.010 0.000 0.260 324 G HA3 -0.323 3.643 3.960 0.010 0.000 0.260 324 G C -0.202 174.776 174.900 0.131 0.000 0.976 324 G CA 0.577 45.678 45.100 0.000 0.000 0.655 324 G HN 0.526 nan 8.290 nan 0.000 0.533 325 F N -2.314 117.595 119.950 -0.069 0.000 2.817 325 F HA 0.735 5.268 4.527 0.010 0.000 0.317 325 F C -1.191 174.568 175.800 -0.069 0.000 1.168 325 F CA -1.637 56.313 58.000 -0.084 0.000 0.911 325 F CB 0.711 39.641 39.000 -0.117 0.000 1.337 325 F HN -0.035 nan 8.300 nan 0.000 0.464 326 D N 1.382 121.825 120.400 0.071 0.000 2.232 326 D HA 0.335 4.980 4.640 0.010 0.000 0.242 326 D C 0.666 177.006 176.300 0.066 0.000 1.093 326 D CA -0.191 53.800 54.000 -0.015 0.000 0.845 326 D CB 1.817 42.644 40.800 0.044 0.000 1.124 326 D HN 0.748 nan 8.370 nan 0.000 0.467 327 L N 3.410 124.630 121.223 -0.005 0.000 2.376 327 L HA -0.034 4.312 4.340 0.010 0.000 0.219 327 L C 2.096 179.020 176.870 0.092 0.000 1.133 327 L CA 0.400 55.294 54.840 0.089 0.000 0.816 327 L CB 0.035 42.115 42.059 0.034 0.000 0.933 327 L HN 0.424 nan 8.230 nan 0.000 0.449 328 L N -1.040 120.243 121.223 0.100 0.000 2.478 328 L HA -0.034 4.312 4.340 0.010 0.000 0.223 328 L C 0.660 177.617 176.870 0.144 0.000 1.140 328 L CA 0.133 55.078 54.840 0.175 0.000 0.842 328 L CB -0.263 41.978 42.059 0.304 0.000 0.953 328 L HN 0.140 nan 8.230 nan 0.000 0.452 329 D N 1.255 121.519 120.400 -0.226 0.000 2.325 329 D HA 0.075 4.721 4.640 0.010 0.000 0.251 329 D C -1.538 174.672 176.300 -0.150 0.000 1.196 329 D CA -2.078 51.562 54.000 -0.600 0.000 0.866 329 D CB 1.525 41.730 40.800 -0.991 0.000 1.101 329 D HN -0.039 nan 8.370 nan 0.000 0.476 330 P HA -0.040 nan 4.420 nan 0.000 0.241 330 P C 0.912 178.207 177.300 -0.009 0.000 1.191 330 P CA 0.589 63.701 63.100 0.019 0.000 0.771 330 P CB -0.008 31.758 31.700 0.110 0.000 0.929 331 T N -3.923 110.623 114.554 -0.013 0.000 3.148 331 T HA 0.110 4.466 4.350 0.010 0.000 0.253 331 T C 0.731 175.447 174.700 0.026 0.000 1.134 331 T CA 0.086 62.194 62.100 0.013 0.000 1.051 331 T CB -0.288 68.606 68.868 0.045 0.000 0.959 331 T HN -0.077 nan 8.240 nan 0.000 0.525 332 K N 1.592 121.924 120.400 -0.114 0.000 2.259 332 K HA 0.572 4.897 4.320 0.010 0.000 0.249 332 K C -0.785 175.679 176.600 -0.227 0.000 0.942 332 K CA -0.902 55.184 56.287 -0.335 0.000 0.816 332 K CB 1.929 33.994 32.500 -0.725 0.000 1.155 332 K HN 0.382 nan 8.250 nan 0.000 0.428 333 F N -0.468 119.303 119.950 -0.298 0.000 2.575 333 F HA 0.628 5.161 4.527 0.010 0.000 0.330 333 F C -0.658 175.099 175.800 -0.071 0.000 1.056 333 F CA -1.626 56.284 58.000 -0.150 0.000 0.964 333 F CB 0.710 39.632 39.000 -0.129 0.000 1.258 333 F HN 0.218 nan 8.300 nan 0.000 0.484 334 L N 4.079 125.522 121.223 0.367 0.000 2.257 334 L HA 0.579 4.925 4.340 0.010 0.000 0.290 334 L C -2.519 174.607 176.870 0.426 0.000 1.044 334 L CA -2.439 52.636 54.840 0.392 0.000 0.810 334 L CB 0.362 42.595 42.059 0.291 0.000 1.193 334 L HN 0.412 nan 8.230 nan 0.000 0.425 335 P HA 0.027 nan 4.420 nan 0.000 0.264 335 P C 0.008 177.421 177.300 0.189 0.000 1.183 335 P CA 0.221 63.516 63.100 0.324 0.000 0.763 335 P CB 0.490 32.300 31.700 0.182 0.000 0.807 336 E N 2.110 122.396 120.200 0.143 0.000 2.338 336 E HA -0.174 4.182 4.350 0.010 0.000 0.197 336 E C 1.494 178.088 176.600 -0.010 0.000 1.007 336 E CA 0.657 57.093 56.400 0.061 0.000 0.849 336 E CB 0.067 29.797 29.700 0.050 0.000 0.774 336 E HN 0.605 nan 8.360 nan 0.000 0.506 337 E N 0.473 120.613 120.200 -0.101 0.000 2.204 337 E HA -0.164 4.192 4.350 0.010 0.000 0.194 337 E C 1.630 178.126 176.600 -0.173 0.000 0.989 337 E CA 0.873 57.166 56.400 -0.177 0.000 0.824 337 E CB -0.420 29.115 29.700 -0.274 0.000 0.756 337 E HN 0.385 nan 8.360 nan 0.000 0.477 338 F N 1.831 121.777 119.950 -0.007 0.000 2.149 338 F HA 0.147 4.680 4.527 0.010 0.000 0.294 338 F C 1.409 177.154 175.800 -0.092 0.000 1.095 338 F CA 0.690 58.650 58.000 -0.066 0.000 1.276 338 F CB 0.259 39.091 39.000 -0.281 0.000 1.023 338 F HN -0.047 nan 8.300 nan 0.000 0.480 339 A N 0.992 123.857 122.820 0.075 0.000 2.522 339 A HA 0.457 4.783 4.320 0.010 0.000 0.285 339 A C -2.642 174.948 177.584 0.010 0.000 1.198 339 A CA -1.516 50.535 52.037 0.023 0.000 0.742 339 A CB 0.138 19.122 19.000 -0.026 0.000 1.176 339 A HN -0.162 nan 8.150 nan 0.000 0.444 340 P HA 0.317 nan 4.420 nan 0.000 0.274 340 P C -0.390 176.883 177.300 -0.045 0.000 1.237 340 P CA -0.235 62.857 63.100 -0.014 0.000 0.793 340 P CB 0.823 32.524 31.700 0.001 0.000 0.977 341 L N 1.909 123.087 121.223 -0.076 0.000 2.410 341 L HA 0.157 4.503 4.340 0.010 0.000 0.273 341 L C 1.032 177.866 176.870 -0.059 0.000 1.144 341 L CA 0.201 54.972 54.840 -0.115 0.000 0.863 341 L CB -0.314 41.650 42.059 -0.159 0.000 1.140 341 L HN 0.270 nan 8.230 nan 0.000 0.463 342 Q N 3.125 122.879 119.800 -0.076 0.000 2.372 342 Q HA 0.339 4.685 4.340 0.010 0.000 0.259 342 Q C -0.865 175.078 176.000 -0.095 0.000 0.993 342 Q CA -0.666 55.099 55.803 -0.063 0.000 0.854 342 Q CB 2.393 31.076 28.738 -0.092 0.000 1.231 342 Q HN 0.409 nan 8.270 nan 0.000 0.462 343 V N 5.039 124.957 119.914 0.006 0.000 2.470 343 V HA -0.000 4.125 4.120 0.010 0.000 0.276 343 V C 1.087 177.200 176.094 0.032 0.000 1.040 343 V CA 0.469 62.810 62.300 0.067 0.000 1.008 343 V CB 0.427 32.385 31.823 0.224 0.000 0.990 343 V HN 0.823 nan 8.190 nan 0.000 0.477 344 L N 3.860 125.008 121.223 -0.125 0.000 2.286 344 L HA 0.485 4.831 4.340 0.010 0.000 0.203 344 L C 1.195 178.094 176.870 0.048 0.000 1.068 344 L CA 1.013 55.662 54.840 -0.318 0.000 0.811 344 L CB -0.030 41.706 42.059 -0.539 0.000 0.989 344 L HN 0.812 nan 8.230 nan 0.000 0.467 345 G N -0.922 107.806 108.800 -0.120 0.000 2.650 345 G HA2 0.401 4.367 3.960 0.010 0.000 0.310 345 G HA3 0.401 4.367 3.960 0.010 0.000 0.310 345 G C -1.923 172.649 174.900 -0.547 0.000 1.270 345 G CA -0.302 44.394 45.100 -0.674 0.000 0.810 345 G HN -0.094 nan 8.290 nan 0.000 0.493 346 E N -0.614 119.246 120.200 -0.566 0.000 2.331 346 E HA 0.567 4.923 4.350 0.010 0.000 0.275 346 E C -1.139 175.574 176.600 0.187 0.000 0.895 346 E CA -0.701 55.689 56.400 -0.017 0.000 0.753 346 E CB 2.263 31.966 29.700 0.005 0.000 1.216 346 E HN 0.560 nan 8.360 nan 0.000 0.434 347 M N 2.440 122.350 119.600 0.516 0.000 2.508 347 M HA 0.500 4.986 4.480 0.010 0.000 0.327 347 M C -1.500 175.007 176.300 0.345 0.000 1.160 347 M CA -0.185 55.408 55.300 0.489 0.000 0.980 347 M CB 2.076 34.965 32.600 0.481 0.000 1.693 347 M HN 0.440 nan 8.290 nan 0.000 0.452 348 T N 5.272 119.973 114.554 0.245 0.000 3.031 348 T HA 0.418 4.774 4.350 0.010 0.000 0.305 348 T C -0.813 173.974 174.700 0.144 0.000 0.985 348 T CA -0.591 61.619 62.100 0.183 0.000 1.008 348 T CB 0.948 69.880 68.868 0.108 0.000 1.005 348 T HN 0.604 nan 8.240 nan 0.000 0.444 349 L N 4.684 126.008 121.223 0.168 0.000 2.295 349 L HA 0.393 4.739 4.340 0.010 0.000 0.288 349 L C 0.839 177.736 176.870 0.044 0.000 1.079 349 L CA -0.553 54.340 54.840 0.089 0.000 0.830 349 L CB 0.186 42.309 42.059 0.107 0.000 1.200 349 L HN 0.680 nan 8.230 nan 0.000 0.438 350 N N 1.644 120.359 118.700 0.025 0.000 2.143 350 N HA 0.075 4.821 4.740 0.010 0.000 0.222 350 N C -0.057 175.433 175.510 -0.033 0.000 1.264 350 N CA -0.382 52.664 53.050 -0.007 0.000 0.897 350 N CB 0.727 39.217 38.487 0.005 0.000 1.092 350 N HN 0.305 nan 8.380 nan 0.000 0.516 351 R N 0.858 121.348 120.500 -0.016 0.000 2.514 351 R HA 0.373 4.719 4.340 0.010 0.000 0.296 351 R C -0.900 175.388 176.300 -0.021 0.000 1.012 351 R CA -0.474 55.604 56.100 -0.036 0.000 0.897 351 R CB 1.120 31.410 30.300 -0.017 0.000 1.184 351 R HN 0.076 nan 8.270 nan 0.000 0.440 352 N N 3.467 122.058 118.700 -0.182 0.000 2.503 352 N HA 0.306 5.052 4.740 0.010 0.000 0.267 352 N C -2.139 173.384 175.510 0.022 0.000 1.214 352 N CA -1.254 51.642 53.050 -0.258 0.000 0.959 352 N CB 0.649 38.508 38.487 -1.047 0.000 1.142 352 N HN 0.256 nan 8.380 nan 0.000 0.455 353 P HA 0.144 nan 4.420 nan 0.000 0.274 353 P C 0.615 178.103 177.300 0.313 0.000 1.231 353 P CA -0.257 63.050 63.100 0.345 0.000 0.790 353 P CB 0.915 32.869 31.700 0.423 0.000 0.951 354 M N 0.161 119.892 119.600 0.217 0.000 2.193 354 M HA 0.016 4.502 4.480 0.010 0.000 0.265 354 M C 0.956 177.399 176.300 0.239 0.000 1.071 354 M CA 1.337 56.759 55.300 0.204 0.000 1.140 354 M CB -0.807 31.861 32.600 0.113 0.000 1.369 354 M HN 0.449 nan 8.290 nan 0.000 0.423 355 N N -0.740 118.097 118.700 0.228 0.000 2.346 355 N HA 0.065 4.811 4.740 0.010 0.000 0.289 355 N C -0.123 175.561 175.510 0.290 0.000 1.027 355 N CA -0.121 53.078 53.050 0.247 0.000 0.864 355 N CB 2.016 40.626 38.487 0.205 0.000 1.370 355 N HN 0.010 nan 8.380 nan 0.000 0.481 356 Y N 4.359 124.787 120.300 0.214 0.000 2.133 356 Y HA -0.183 4.372 4.550 0.009 0.000 0.287 356 Y C 1.828 177.844 175.900 0.193 0.000 1.134 356 Y CA 1.654 59.881 58.100 0.212 0.000 1.133 356 Y CB -0.155 38.409 38.460 0.173 0.000 0.987 356 Y HN 0.684 nan 8.280 nan 0.000 0.502 357 F N 0.592 120.718 119.950 0.294 0.000 2.075 357 F HA -0.142 4.391 4.527 0.010 0.000 0.297 357 F C 2.348 178.182 175.800 0.057 0.000 1.113 357 F CA 1.764 59.873 58.000 0.183 0.000 1.218 357 F CB -0.879 38.225 39.000 0.174 0.000 0.984 357 F HN 0.069 nan 8.300 nan 0.000 0.472 358 A N -0.260 122.681 122.820 0.202 0.000 1.978 358 A HA -0.188 4.138 4.320 0.010 0.000 0.220 358 A C 2.008 179.520 177.584 -0.120 0.000 1.170 358 A CA 2.179 54.252 52.037 0.060 0.000 0.636 358 A CB -0.621 18.472 19.000 0.155 0.000 0.810 358 A HN 0.642 nan 8.150 nan 0.000 0.448 359 E N -2.221 117.901 120.200 -0.129 0.000 2.182 359 E HA 0.006 4.362 4.350 0.010 0.000 0.195 359 E C 1.996 178.356 176.600 -0.401 0.000 0.933 359 E CA 0.874 57.128 56.400 -0.243 0.000 0.940 359 E CB -0.138 29.513 29.700 -0.083 0.000 0.945 359 E HN 0.417 nan 8.360 nan 0.000 0.477 360 T N 1.146 115.500 114.554 -0.335 0.000 2.851 360 T HA -0.100 4.256 4.350 0.010 0.000 0.262 360 T C 1.795 176.272 174.700 -0.372 0.000 1.043 360 T CA 1.372 63.273 62.100 -0.331 0.000 1.140 360 T CB -0.035 68.472 68.868 -0.603 0.000 0.872 360 T HN 0.012 nan 8.240 nan 0.000 0.446 361 E N 1.412 121.343 120.200 -0.448 0.000 2.112 361 E HA -0.011 4.345 4.350 0.010 0.000 0.190 361 E C 2.168 178.564 176.600 -0.339 0.000 0.979 361 E CA 1.105 57.331 56.400 -0.291 0.000 0.814 361 E CB -0.081 29.504 29.700 -0.192 0.000 0.762 361 E HN 0.432 nan 8.360 nan 0.000 0.460 362 Q N -0.243 119.296 119.800 -0.434 0.000 2.432 362 Q HA 0.122 4.468 4.340 0.010 0.000 0.205 362 Q C 0.465 176.383 176.000 -0.138 0.000 0.945 362 Q CA -0.143 55.487 55.803 -0.289 0.000 0.924 362 Q CB 0.202 28.751 28.738 -0.314 0.000 1.016 362 Q HN 0.356 nan 8.270 nan 0.000 0.503 363 I N 1.028 121.446 120.570 -0.253 0.000 2.710 363 I HA -0.074 4.102 4.170 0.010 0.000 0.286 363 I C -0.573 175.410 176.117 -0.223 0.000 1.181 363 I CA 0.587 61.690 61.300 -0.327 0.000 1.430 363 I CB 0.732 38.407 38.000 -0.541 0.000 1.367 363 I HN -0.122 nan 8.210 nan 0.000 0.577 364 S N 7.592 123.140 115.700 -0.253 0.000 2.406 364 S HA 0.400 4.875 4.470 0.010 0.000 0.224 364 S C -0.518 173.987 174.600 -0.158 0.000 1.426 364 S CA -0.464 57.660 58.200 -0.127 0.000 1.179 364 S CB 0.072 63.222 63.200 -0.084 0.000 1.042 364 S HN 0.388 nan 8.310 nan 0.000 0.479 365 F N 2.389 122.303 119.950 -0.060 0.000 2.459 365 F HA 0.295 4.827 4.527 0.009 0.000 0.346 365 F C 1.173 176.858 175.800 -0.192 0.000 1.128 365 F CA 0.280 58.211 58.000 -0.116 0.000 1.268 365 F CB 0.590 39.494 39.000 -0.160 0.000 1.161 365 F HN 0.308 nan 8.300 nan 0.000 0.583 366 Q N 3.870 123.545 119.800 -0.207 0.000 2.268 366 Q HA 0.202 4.548 4.340 0.010 0.000 0.266 366 Q C -2.104 173.609 176.000 -0.477 0.000 1.006 366 Q CA -1.783 53.716 55.803 -0.507 0.000 0.824 366 Q CB 2.445 30.670 28.738 -0.856 0.000 1.306 366 Q HN 0.241 nan 8.270 nan 0.000 0.424 367 P HA -0.157 nan 4.420 nan 0.000 0.219 367 P C 1.101 178.394 177.300 -0.013 0.000 1.146 367 P CA 1.255 64.181 63.100 -0.290 0.000 0.808 367 P CB 0.235 31.733 31.700 -0.337 0.000 0.779 368 G N -1.911 106.831 108.800 -0.097 0.000 2.744 368 G HA2 -0.148 3.818 3.960 0.010 0.000 0.211 368 G HA3 -0.148 3.818 3.960 0.010 0.000 0.211 368 G C 0.239 175.242 174.900 0.172 0.000 1.143 368 G CA 0.001 45.149 45.100 0.079 0.000 0.788 368 G HN 0.394 nan 8.290 nan 0.000 0.534 369 H N 0.156 119.249 119.070 0.038 0.000 3.330 369 H HA 0.339 4.901 4.556 0.010 0.000 0.260 369 H C -0.392 174.988 175.328 0.088 0.000 1.439 369 H CA -0.485 55.570 56.048 0.013 0.000 1.540 369 H CB 0.333 30.057 29.762 -0.064 0.000 1.698 369 H HN 0.165 nan 8.280 nan 0.000 0.516 370 I N 3.311 124.000 120.570 0.198 0.000 2.693 370 I HA 0.367 4.542 4.170 0.010 0.000 0.303 370 I C -0.418 175.731 176.117 0.054 0.000 1.025 370 I CA -1.087 60.307 61.300 0.157 0.000 1.086 370 I CB 1.406 39.352 38.000 -0.089 0.000 1.268 370 I HN 0.249 nan 8.210 nan 0.000 0.440 371 V N 3.549 123.482 119.914 0.030 0.000 3.103 371 V HA 0.585 4.711 4.120 0.010 0.000 0.318 371 V C -0.008 176.143 176.094 0.095 0.000 1.114 371 V CA -1.068 61.255 62.300 0.038 0.000 1.020 371 V CB 1.527 33.328 31.823 -0.036 0.000 1.085 371 V HN 0.886 nan 8.190 nan 0.000 0.446 372 R N 0.699 121.271 120.500 0.119 0.000 2.502 372 R HA 0.407 4.753 4.340 0.010 0.000 0.292 372 R C 1.097 177.328 176.300 -0.115 0.000 0.998 372 R CA 1.424 57.529 56.100 0.007 0.000 1.056 372 R CB -0.119 30.228 30.300 0.077 0.000 0.939 372 R HN 1.826 nan 8.270 nan 0.000 0.411 373 G N 2.298 110.940 108.800 -0.264 0.000 2.253 373 G HA2 -0.209 3.757 3.960 0.010 0.000 0.209 373 G HA3 -0.209 3.757 3.960 0.010 0.000 0.209 373 G C -0.513 174.241 174.900 -0.243 0.000 0.997 373 G CA -0.079 44.885 45.100 -0.227 0.000 0.640 373 G HN 0.555 nan 8.290 nan 0.000 0.496 374 V N 0.488 120.253 119.914 -0.249 0.000 2.864 374 V HA 0.860 4.986 4.120 0.010 0.000 0.314 374 V C -0.599 175.393 176.094 -0.170 0.000 1.073 374 V CA -0.409 61.781 62.300 -0.183 0.000 0.956 374 V CB 2.058 33.745 31.823 -0.225 0.000 1.023 374 V HN 0.322 nan 8.190 nan 0.000 0.435 375 D N 0.010 120.334 120.400 -0.127 0.000 2.609 375 D HA 0.515 5.161 4.640 0.010 0.000 0.239 375 D C -1.053 175.225 176.300 -0.038 0.000 1.229 375 D CA -0.434 53.468 54.000 -0.163 0.000 0.808 375 D CB 1.734 42.455 40.800 -0.132 0.000 1.448 375 D HN 0.210 nan 8.370 nan 0.000 0.433 376 F N 0.135 120.252 119.950 0.278 0.000 2.375 376 F HA 0.467 5.000 4.527 0.010 0.000 0.313 376 F C 1.581 177.432 175.800 0.086 0.000 1.176 376 F CA -0.222 57.908 58.000 0.217 0.000 1.142 376 F CB 0.949 40.036 39.000 0.144 0.000 1.275 376 F HN 0.207 nan 8.300 nan 0.000 0.544 377 T N -2.970 111.696 114.554 0.187 0.000 2.910 377 T HA 0.387 4.743 4.350 0.010 0.000 0.287 377 T C -0.095 174.633 174.700 0.047 0.000 1.050 377 T CA -0.870 61.277 62.100 0.077 0.000 1.011 377 T CB 1.510 70.382 68.868 0.006 0.000 1.195 377 T HN 0.438 nan 8.240 nan 0.000 0.540 378 E N 0.735 120.962 120.200 0.045 0.000 2.321 378 E HA 0.144 4.500 4.350 0.010 0.000 0.189 378 E C -0.181 176.447 176.600 0.046 0.000 1.125 378 E CA -0.125 56.297 56.400 0.035 0.000 1.005 378 E CB -0.282 29.441 29.700 0.039 0.000 1.140 378 E HN 0.523 nan 8.360 nan 0.000 0.457 379 D N 0.871 121.290 120.400 0.032 0.000 2.389 379 D HA -0.028 4.618 4.640 0.010 0.000 0.263 379 D C -1.646 174.676 176.300 0.036 0.000 1.255 379 D CA -1.890 52.157 54.000 0.078 0.000 0.914 379 D CB 1.154 41.965 40.800 0.019 0.000 1.116 379 D HN -0.028 nan 8.370 nan 0.000 0.502 380 P HA -0.129 nan 4.420 nan 0.000 0.219 380 P C 1.450 178.780 177.300 0.050 0.000 1.146 380 P CA 0.310 63.439 63.100 0.048 0.000 0.808 380 P CB 0.278 32.009 31.700 0.052 0.000 0.779 381 L N -0.991 120.296 121.223 0.106 0.000 2.072 381 L HA -0.046 4.300 4.340 0.010 0.000 0.205 381 L C 2.094 178.930 176.870 -0.056 0.000 1.079 381 L CA 1.535 56.443 54.840 0.113 0.000 0.752 381 L CB -1.446 40.776 42.059 0.272 0.000 0.906 381 L HN -0.130 nan 8.230 nan 0.000 0.436 382 L N -0.738 120.300 121.223 -0.308 0.000 2.056 382 L HA -0.176 4.170 4.340 0.010 0.000 0.207 382 L C 2.459 179.139 176.870 -0.316 0.000 1.078 382 L CA 1.658 56.121 54.840 -0.630 0.000 0.749 382 L CB -0.869 40.600 42.059 -0.984 0.000 0.901 382 L HN 0.347 nan 8.230 nan 0.000 0.433 383 Q N -0.185 119.487 119.800 -0.212 0.000 2.061 383 Q HA -0.160 4.186 4.340 0.010 0.000 0.204 383 Q C 2.105 178.032 176.000 -0.122 0.000 0.984 383 Q CA 1.821 57.524 55.803 -0.167 0.000 0.846 383 Q CB -0.888 27.791 28.738 -0.099 0.000 0.902 383 Q HN 0.668 nan 8.270 nan 0.000 0.421 384 G N 0.455 109.211 108.800 -0.072 0.000 2.421 384 G HA2 -0.216 3.750 3.960 0.010 0.000 0.217 384 G HA3 -0.216 3.750 3.960 0.010 0.000 0.217 384 G C 1.555 176.466 174.900 0.019 0.000 1.143 384 G CA 0.277 45.368 45.100 -0.015 0.000 0.784 384 G HN 0.250 nan 8.290 nan 0.000 0.541 385 R N -0.116 120.364 120.500 -0.034 0.000 2.091 385 R HA 0.029 4.375 4.340 0.010 0.000 0.238 385 R C 2.554 178.903 176.300 0.080 0.000 1.136 385 R CA 0.964 57.092 56.100 0.048 0.000 0.959 385 R CB -0.527 29.780 30.300 0.012 0.000 0.856 385 R HN 0.319 nan 8.270 nan 0.000 0.437 386 L N -0.447 120.731 121.223 -0.075 0.000 2.089 386 L HA -0.283 4.063 4.340 0.010 0.000 0.213 386 L C 2.433 179.294 176.870 -0.015 0.000 1.079 386 L CA 1.578 56.339 54.840 -0.131 0.000 0.758 386 L CB -0.583 41.288 42.059 -0.313 0.000 0.891 386 L HN 0.275 nan 8.230 nan 0.000 0.433 387 Y N 0.099 120.355 120.300 -0.074 0.000 2.184 387 Y HA -0.172 4.384 4.550 0.009 0.000 0.290 387 Y C 2.775 178.660 175.900 -0.025 0.000 1.129 387 Y CA 1.655 59.728 58.100 -0.045 0.000 1.144 387 Y CB -0.158 38.273 38.460 -0.048 0.000 0.995 387 Y HN 0.004 nan 8.280 nan 0.000 0.513 388 S N -0.249 115.407 115.700 -0.072 0.000 2.356 388 S HA -0.194 4.282 4.470 0.010 0.000 0.223 388 S C 1.705 176.127 174.600 -0.295 0.000 1.032 388 S CA 1.645 59.711 58.200 -0.224 0.000 1.005 388 S CB -0.679 62.425 63.200 -0.160 0.000 0.867 388 S HN 0.581 nan 8.310 nan 0.000 0.449 389 Y N 0.934 121.090 120.300 -0.240 0.000 2.242 389 Y HA -0.018 4.538 4.550 0.010 0.000 0.291 389 Y C 2.160 177.904 175.900 -0.260 0.000 1.137 389 Y CA 0.546 58.507 58.100 -0.232 0.000 1.181 389 Y CB -0.407 37.921 38.460 -0.220 0.000 0.989 389 Y HN 0.180 nan 8.280 nan 0.000 0.527 390 L N 0.231 121.392 121.223 -0.102 0.000 2.072 390 L HA -0.159 4.187 4.340 0.010 0.000 0.205 390 L C 1.935 178.707 176.870 -0.163 0.000 1.079 390 L CA 2.069 56.851 54.840 -0.098 0.000 0.752 390 L CB -0.765 41.263 42.059 -0.052 0.000 0.906 390 L HN 0.160 nan 8.230 nan 0.000 0.436 391 D N -1.795 118.419 120.400 -0.312 0.000 2.144 391 D HA -0.229 4.417 4.640 0.010 0.000 0.199 391 D C 2.078 178.243 176.300 -0.225 0.000 0.984 391 D CA 1.554 55.364 54.000 -0.315 0.000 0.834 391 D CB -0.063 40.384 40.800 -0.588 0.000 0.955 391 D HN 0.321 nan 8.370 nan 0.000 0.465 392 T N -1.080 113.322 114.554 -0.253 0.000 2.962 392 T HA -0.095 4.261 4.350 0.010 0.000 0.270 392 T C 1.586 176.150 174.700 -0.226 0.000 1.088 392 T CA 0.835 62.805 62.100 -0.216 0.000 1.127 392 T CB -0.176 68.547 68.868 -0.243 0.000 0.883 392 T HN 0.096 nan 8.240 nan 0.000 0.493 393 Q N 0.799 120.410 119.800 -0.314 0.000 2.167 393 Q HA 0.091 4.436 4.340 0.010 0.000 0.202 393 Q C 2.352 178.226 176.000 -0.210 0.000 0.970 393 Q CA 0.829 56.369 55.803 -0.438 0.000 0.855 393 Q CB -0.543 27.431 28.738 -1.274 0.000 0.911 393 Q HN 0.523 nan 8.270 nan 0.000 0.438 394 L N 0.669 121.834 121.223 -0.097 0.000 2.131 394 L HA -0.188 4.158 4.340 0.010 0.000 0.210 394 L C 2.155 179.021 176.870 -0.006 0.000 1.092 394 L CA 1.114 55.969 54.840 0.026 0.000 0.759 394 L CB -0.440 41.638 42.059 0.032 0.000 0.903 394 L HN 0.230 nan 8.230 nan 0.000 0.435 395 N N 0.327 118.991 118.700 -0.060 0.000 2.135 395 N HA -0.125 4.621 4.740 0.010 0.000 0.186 395 N C 1.983 177.441 175.510 -0.087 0.000 1.027 395 N CA 1.255 54.268 53.050 -0.061 0.000 0.849 395 N CB 0.089 38.533 38.487 -0.071 0.000 1.002 395 N HN 0.093 nan 8.380 nan 0.000 0.425 396 R N -1.097 119.306 120.500 -0.162 0.000 2.066 396 R HA -0.001 4.345 4.340 0.010 0.000 0.232 396 R C 1.452 177.565 176.300 -0.312 0.000 1.131 396 R CA 1.213 57.147 56.100 -0.278 0.000 0.955 396 R CB -0.255 29.779 30.300 -0.443 0.000 0.851 396 R HN 0.471 nan 8.270 nan 0.000 0.432 397 H N -0.707 118.329 119.070 -0.057 0.000 2.592 397 H HA 0.201 4.763 4.556 0.010 0.000 0.265 397 H C 0.237 175.590 175.328 0.041 0.000 0.955 397 H CA 0.089 56.141 56.048 0.006 0.000 1.175 397 H CB 0.586 30.376 29.762 0.047 0.000 1.433 397 H HN -0.088 nan 8.280 nan 0.000 0.537 398 R N 0.197 120.765 120.500 0.113 0.000 3.422 398 R HA -0.150 4.196 4.340 0.010 0.000 0.267 398 R C 0.031 176.390 176.300 0.098 0.000 1.074 398 R CA 0.812 56.961 56.100 0.082 0.000 0.718 398 R CB -1.561 28.774 30.300 0.058 0.000 1.157 398 R HN 0.708 nan 8.270 nan 0.000 0.440 399 G N -2.430 106.454 108.800 0.141 0.000 2.368 399 G HA2 0.394 4.360 3.960 0.010 0.000 0.293 399 G HA3 0.394 4.360 3.960 0.010 0.000 0.293 399 G C -2.802 172.194 174.900 0.160 0.000 1.467 399 G CA -0.502 44.663 45.100 0.109 0.000 0.804 399 G HN -0.088 nan 8.290 nan 0.000 0.535 400 P HA 0.132 nan 4.420 nan 0.000 0.255 400 P C 0.212 177.303 177.300 -0.348 0.000 1.248 400 P CA 0.180 63.239 63.100 -0.069 0.000 0.807 400 P CB 0.423 32.073 31.700 -0.083 0.000 1.150 401 N N 0.484 119.027 118.700 -0.262 0.000 2.451 401 N HA 0.102 4.848 4.740 0.010 0.000 0.264 401 N C 0.825 176.118 175.510 -0.361 0.000 1.167 401 N CA -0.220 52.607 53.050 -0.373 0.000 0.898 401 N CB -0.453 37.860 38.487 -0.289 0.000 1.176 401 N HN 0.266 nan 8.380 nan 0.000 0.507 402 F N 0.123 119.931 119.950 -0.236 0.000 2.407 402 F HA 0.198 4.730 4.527 0.009 0.000 0.299 402 F C 1.694 177.289 175.800 -0.342 0.000 1.097 402 F CA 0.384 58.133 58.000 -0.419 0.000 1.422 402 F CB -0.015 38.596 39.000 -0.649 0.000 1.067 402 F HN -0.108 nan 8.300 nan 0.000 0.539 403 E N 1.112 121.050 120.200 -0.438 0.000 2.274 403 E HA -0.142 4.214 4.350 0.010 0.000 0.194 403 E C 1.877 178.370 176.600 -0.178 0.000 0.996 403 E CA 0.732 56.999 56.400 -0.223 0.000 0.840 403 E CB -0.397 29.141 29.700 -0.270 0.000 0.772 403 E HN 0.692 nan 8.360 nan 0.000 0.491 404 Q N 0.207 119.842 119.800 -0.274 0.000 2.435 404 Q HA 0.056 4.402 4.340 0.010 0.000 0.207 404 Q C 0.593 176.537 176.000 -0.094 0.000 0.956 404 Q CA 0.098 55.760 55.803 -0.235 0.000 0.917 404 Q CB 0.078 28.494 28.738 -0.537 0.000 0.997 404 Q HN 0.232 nan 8.270 nan 0.000 0.497 405 L N 2.180 123.337 121.223 -0.111 0.000 2.499 405 L HA -0.022 4.324 4.340 0.010 0.000 0.273 405 L C -1.474 175.368 176.870 -0.045 0.000 1.195 405 L CA -1.227 53.571 54.840 -0.071 0.000 0.882 405 L CB 0.057 42.055 42.059 -0.103 0.000 1.133 405 L HN -0.088 nan 8.230 nan 0.000 0.483 406 P HA -0.263 nan 4.420 nan 0.000 0.217 406 P C 1.567 178.829 177.300 -0.063 0.000 1.158 406 P CA 1.364 64.447 63.100 -0.028 0.000 0.887 406 P CB 0.203 31.888 31.700 -0.026 0.000 0.792 407 I N -1.017 119.492 120.570 -0.101 0.000 2.394 407 I HA -0.145 4.031 4.170 0.010 0.000 0.251 407 I C 1.420 177.481 176.117 -0.094 0.000 1.136 407 I CA 1.583 62.788 61.300 -0.157 0.000 1.425 407 I CB -0.556 37.273 38.000 -0.285 0.000 1.079 407 I HN -0.134 nan 8.210 nan 0.000 0.425 408 N N 0.555 119.201 118.700 -0.090 0.000 2.422 408 N HA 0.037 4.782 4.740 0.010 0.000 0.181 408 N C 0.377 175.881 175.510 -0.009 0.000 1.080 408 N CA 0.249 53.257 53.050 -0.071 0.000 0.893 408 N CB -0.103 38.339 38.487 -0.076 0.000 0.973 408 N HN 0.323 nan 8.380 nan 0.000 0.456 409 R N 1.809 122.324 120.500 0.026 0.000 2.537 409 R HA 0.136 4.482 4.340 0.010 0.000 0.280 409 R C -2.046 174.317 176.300 0.106 0.000 1.058 409 R CA -0.953 55.181 56.100 0.057 0.000 1.057 409 R CB 0.268 30.605 30.300 0.062 0.000 0.973 409 R HN 0.124 nan 8.270 nan 0.000 0.438 410 P HA 0.023 nan 4.420 nan 0.000 0.278 410 P C 0.366 177.707 177.300 0.069 0.000 1.266 410 P CA -0.237 62.922 63.100 0.099 0.000 0.807 410 P CB 0.851 32.559 31.700 0.014 0.000 1.094 411 V N -2.199 117.767 119.914 0.086 0.000 3.542 411 V HA 0.096 4.222 4.120 0.010 0.000 0.296 411 V C 1.267 177.374 176.094 0.023 0.000 1.364 411 V CA 1.173 63.494 62.300 0.036 0.000 1.118 411 V CB -1.033 30.819 31.823 0.048 0.000 0.972 411 V HN 0.599 nan 8.190 nan 0.000 0.430 412 S N -0.617 115.094 115.700 0.020 0.000 2.512 412 S HA 0.609 5.084 4.470 0.010 0.000 0.216 412 S C 1.106 175.699 174.600 -0.011 0.000 1.006 412 S CA 0.417 58.628 58.200 0.019 0.000 0.915 412 S CB 0.318 63.540 63.200 0.037 0.000 0.824 412 S HN 1.987 nan 8.310 nan 0.000 0.497 413 G N 0.226 108.983 108.800 -0.072 0.000 2.697 413 G HA2 0.097 4.063 3.960 0.010 0.000 0.686 413 G HA3 0.097 4.063 3.960 0.010 0.000 0.686 413 G C -1.144 173.583 174.900 -0.288 0.000 1.179 413 G CA -0.597 44.383 45.100 -0.199 0.000 0.765 413 G HN 0.866 nan 8.290 nan 0.000 0.649 414 V N 4.266 123.870 119.914 -0.517 0.000 2.443 414 V HA 0.634 4.760 4.120 0.010 0.000 0.293 414 V C -0.543 175.216 176.094 -0.557 0.000 1.021 414 V CA -0.865 61.224 62.300 -0.351 0.000 0.848 414 V CB 1.700 33.507 31.823 -0.027 0.000 0.998 414 V HN 0.845 nan 8.190 nan 0.000 0.424 415 H N 4.928 124.005 119.070 0.012 0.000 2.906 415 H HA 0.599 5.161 4.556 0.010 0.000 0.324 415 H C -0.683 174.655 175.328 0.018 0.000 0.973 415 H CA -0.533 55.532 56.048 0.028 0.000 1.321 415 H CB 2.125 31.897 29.762 0.016 0.000 1.535 415 H HN 0.901 nan 8.280 nan 0.000 0.518 416 N N 0.714 119.486 118.700 0.121 0.000 3.179 416 N HA 0.051 4.797 4.740 0.010 0.000 0.250 416 N C -0.788 174.770 175.510 0.081 0.000 1.507 416 N CA -0.861 52.202 53.050 0.021 0.000 0.883 416 N CB 0.360 38.691 38.487 -0.260 0.000 1.435 416 N HN 0.238 nan 8.380 nan 0.000 0.532 417 N N -1.992 116.777 118.700 0.116 0.000 2.313 417 N HA 0.067 4.813 4.740 0.010 0.000 0.207 417 N C -0.744 174.895 175.510 0.215 0.000 1.141 417 N CA -0.206 52.942 53.050 0.163 0.000 0.830 417 N CB -0.201 38.382 38.487 0.159 0.000 1.008 417 N HN 0.374 nan 8.380 nan 0.000 0.481 418 H N 1.161 120.230 119.070 -0.002 0.000 2.878 418 H HA 0.230 4.792 4.556 0.010 0.000 0.290 418 H C 0.125 175.367 175.328 -0.143 0.000 1.065 418 H CA -0.376 55.651 56.048 -0.036 0.000 1.477 418 H CB 0.640 30.394 29.762 -0.014 0.000 1.484 418 H HN -0.030 nan 8.280 nan 0.000 0.504 419 R N 2.739 123.241 120.500 0.003 0.000 2.854 419 R HA 0.193 4.539 4.340 0.010 0.000 0.271 419 R C 0.055 176.344 176.300 -0.019 0.000 0.996 419 R CA -0.719 55.338 56.100 -0.072 0.000 0.961 419 R CB 1.411 31.704 30.300 -0.011 0.000 1.182 419 R HN 0.847 nan 8.270 nan 0.000 0.479 420 D N -0.276 120.121 120.400 -0.005 0.000 3.455 420 D HA -0.182 4.464 4.640 0.010 0.000 0.216 420 D C 0.452 176.734 176.300 -0.031 0.000 1.510 420 D CA 1.849 55.847 54.000 -0.004 0.000 1.128 420 D CB -1.108 39.693 40.800 0.001 0.000 0.680 420 D HN 0.853 nan 8.370 nan 0.000 0.828 421 G N -0.767 108.015 108.800 -0.030 0.000 2.756 421 G HA2 0.129 4.095 3.960 0.010 0.000 0.678 421 G HA3 0.129 4.095 3.960 0.010 0.000 0.678 421 G C -0.725 174.153 174.900 -0.036 0.000 1.349 421 G CA 0.411 45.486 45.100 -0.042 0.000 0.847 421 G HN 0.648 nan 8.290 nan 0.000 0.548 422 Q N 0.393 120.175 119.800 -0.029 0.000 2.296 422 Q HA 0.517 4.862 4.340 0.010 0.000 0.262 422 Q C 1.212 177.191 176.000 -0.034 0.000 0.981 422 Q CA 1.851 57.643 55.803 -0.018 0.000 0.905 422 Q CB 0.518 29.259 28.738 0.004 0.000 1.186 422 Q HN 2.511 nan 8.270 nan 0.000 0.399 423 G N 3.383 112.165 108.800 -0.030 0.000 2.256 423 G HA2 -0.306 3.660 3.960 0.010 0.000 0.272 423 G HA3 -0.306 3.660 3.960 0.010 0.000 0.272 423 G C -0.325 174.522 174.900 -0.089 0.000 1.076 423 G CA 0.283 45.358 45.100 -0.041 0.000 0.882 423 G HN 0.633 nan 8.290 nan 0.000 0.497 424 Q N -0.047 119.704 119.800 -0.082 0.000 2.263 424 Q HA 0.629 4.975 4.340 0.010 0.000 0.270 424 Q C 1.211 177.153 176.000 -0.097 0.000 1.104 424 Q CA 1.061 56.794 55.803 -0.117 0.000 0.909 424 Q CB 0.766 29.479 28.738 -0.042 0.000 1.214 424 Q HN 0.896 nan 8.270 nan 0.000 0.400 425 A N 4.942 127.640 122.820 -0.203 0.000 2.220 425 A HA 0.186 4.512 4.320 0.010 0.000 0.211 425 A C -0.446 177.222 177.584 0.140 0.000 1.176 425 A CA -0.143 51.851 52.037 -0.072 0.000 0.834 425 A CB 0.144 19.084 19.000 -0.100 0.000 0.868 425 A HN 0.695 nan 8.150 nan 0.000 0.488 426 W N -1.006 120.265 121.300 -0.049 0.000 2.578 426 W HA 0.683 5.350 4.660 0.011 0.000 0.364 426 W C -0.464 175.996 176.519 -0.098 0.000 1.144 426 W CA -1.598 55.675 57.345 -0.121 0.000 1.242 426 W CB 0.326 29.633 29.460 -0.256 0.000 1.382 426 W HN -0.160 nan 8.180 nan 0.000 0.625 427 I N 1.945 122.578 120.570 0.105 0.000 2.466 427 I HA 0.101 4.277 4.170 0.010 0.000 0.279 427 I C -0.640 175.480 176.117 0.005 0.000 1.033 427 I CA -0.862 60.479 61.300 0.068 0.000 1.123 427 I CB 0.711 38.739 38.000 0.047 0.000 1.237 427 I HN 0.215 nan 8.210 nan 0.000 0.460 428 H N 4.836 123.962 119.070 0.095 0.000 2.764 428 H HA 0.178 4.740 4.556 0.009 0.000 0.341 428 H C 0.711 176.055 175.328 0.027 0.000 1.072 428 H CA 0.263 56.355 56.048 0.074 0.000 1.444 428 H CB 1.359 31.173 29.762 0.088 0.000 1.458 428 H HN 0.420 nan 8.280 nan 0.000 0.572 429 K N 1.469 121.939 120.400 0.117 0.000 2.166 429 K HA -0.040 4.286 4.320 0.010 0.000 0.201 429 K C 0.451 177.084 176.600 0.056 0.000 1.052 429 K CA 0.244 56.566 56.287 0.058 0.000 0.969 429 K CB 0.230 32.745 32.500 0.025 0.000 0.761 429 K HN 0.416 nan 8.250 nan 0.000 0.459 430 N N 2.295 121.048 118.700 0.089 0.000 2.406 430 N HA -0.039 4.707 4.740 0.010 0.000 0.265 430 N C 0.819 176.342 175.510 0.021 0.000 1.203 430 N CA -0.020 53.075 53.050 0.076 0.000 0.945 430 N CB 0.285 38.838 38.487 0.109 0.000 1.165 430 N HN 0.198 nan 8.380 nan 0.000 0.485 431 I N 0.450 120.979 120.570 -0.068 0.000 2.676 431 I HA 0.019 4.194 4.170 0.010 0.000 0.259 431 I C -0.281 175.729 176.117 -0.177 0.000 1.194 431 I CA 0.719 61.899 61.300 -0.200 0.000 1.473 431 I CB -0.323 37.509 38.000 -0.280 0.000 1.096 431 I HN 0.381 nan 8.210 nan 0.000 0.443 432 H N 3.378 122.512 119.070 0.107 0.000 2.745 432 H HA 0.187 4.749 4.556 0.010 0.000 0.235 432 H C -0.046 175.271 175.328 -0.019 0.000 1.815 432 H CA -0.454 55.634 56.048 0.067 0.000 1.321 432 H CB -0.451 29.197 29.762 -0.189 0.000 1.716 432 H HN 0.377 nan 8.280 nan 0.000 0.546 433 H N 1.830 120.977 119.070 0.130 0.000 2.966 433 H HA 0.134 4.695 4.556 0.009 0.000 0.217 433 H C -0.763 174.714 175.328 0.248 0.000 1.906 433 H CA -0.771 55.348 56.048 0.118 0.000 1.351 433 H CB -1.499 28.315 29.762 0.086 0.000 1.722 433 H HN 0.622 nan 8.280 nan 0.000 0.562 434 Y N -1.888 118.447 120.300 0.059 0.000 2.641 434 Y HA 0.580 5.136 4.550 0.010 0.000 0.333 434 Y C -1.364 174.558 175.900 0.037 0.000 1.174 434 Y CA -1.299 56.796 58.100 -0.008 0.000 1.057 434 Y CB 0.739 39.160 38.460 -0.064 0.000 1.322 434 Y HN 0.218 nan 8.280 nan 0.000 0.457 435 S N 2.390 118.186 115.700 0.161 0.000 2.548 435 S HA 0.756 5.231 4.470 0.010 0.000 0.276 435 S C -2.782 171.891 174.600 0.122 0.000 1.129 435 S CA -0.974 57.276 58.200 0.084 0.000 0.931 435 S CB 0.991 64.215 63.200 0.040 0.000 1.068 435 S HN 0.800 nan 8.310 nan 0.000 0.480 436 P HA 0.637 nan 4.420 nan 0.000 0.276 436 P C -1.106 176.260 177.300 0.109 0.000 1.261 436 P CA -0.483 62.656 63.100 0.065 0.000 0.800 436 P CB 1.174 32.905 31.700 0.050 0.000 1.066 437 S N -0.911 114.808 115.700 0.031 0.000 2.542 437 S HA 0.204 4.680 4.470 0.010 0.000 0.276 437 S C -0.257 174.348 174.600 0.008 0.000 1.148 437 S CA -0.682 57.538 58.200 0.033 0.000 0.886 437 S CB 0.626 63.680 63.200 -0.243 0.000 1.109 437 S HN 0.537 nan 8.310 nan 0.000 0.458 438 Y N 4.696 124.964 120.300 -0.053 0.000 2.314 438 Y HA 0.317 4.872 4.550 0.010 0.000 0.294 438 Y C 1.468 177.288 175.900 -0.134 0.000 1.119 438 Y CA 1.393 59.449 58.100 -0.073 0.000 1.179 438 Y CB -0.172 38.265 38.460 -0.037 0.000 1.025 438 Y HN 0.678 nan 8.280 nan 0.000 0.541 439 L N 1.096 122.128 121.223 -0.319 0.000 2.131 439 L HA -0.216 4.130 4.340 0.010 0.000 0.210 439 L C 1.633 178.136 176.870 -0.612 0.000 1.092 439 L CA 1.686 56.158 54.840 -0.614 0.000 0.759 439 L CB -0.719 40.801 42.059 -0.898 0.000 0.903 439 L HN 0.408 nan 8.230 nan 0.000 0.435 440 N N -1.189 117.243 118.700 -0.446 0.000 2.398 440 N HA -0.103 4.643 4.740 0.010 0.000 0.188 440 N C 0.239 175.676 175.510 -0.123 0.000 1.122 440 N CA 0.082 53.008 53.050 -0.207 0.000 0.866 440 N CB 0.048 38.450 38.487 -0.143 0.000 0.970 440 N HN -0.068 nan 8.380 nan 0.000 0.462 441 K N -0.615 119.651 120.400 -0.224 0.000 3.160 441 K HA -0.132 4.194 4.320 0.010 0.000 0.280 441 K C 0.892 177.323 176.600 -0.282 0.000 1.154 441 K CA 0.833 57.014 56.287 -0.177 0.000 0.822 441 K CB -2.524 29.966 32.500 -0.017 0.000 1.239 441 K HN 0.717 nan 8.250 nan 0.000 0.489 442 G N -1.210 107.420 108.800 -0.285 0.000 2.160 442 G HA2 -0.354 3.612 3.960 0.010 0.000 0.251 442 G HA3 -0.354 3.612 3.960 0.010 0.000 0.251 442 G C -0.272 174.315 174.900 -0.521 0.000 1.008 442 G CA 0.625 45.496 45.100 -0.382 0.000 0.724 442 G HN 0.380 nan 8.290 nan 0.000 0.514 443 Y N 0.218 120.475 120.300 -0.072 0.000 2.409 443 Y HA 0.539 5.095 4.550 0.010 0.000 0.343 443 Y C -1.843 174.030 175.900 -0.044 0.000 0.973 443 Y CA -2.476 55.590 58.100 -0.058 0.000 1.064 443 Y CB 2.195 40.613 38.460 -0.070 0.000 1.207 443 Y HN -0.000 nan 8.280 nan 0.000 0.452 444 P HA 0.174 nan 4.420 nan 0.000 0.271 444 P C -0.709 176.643 177.300 0.087 0.000 1.216 444 P CA -0.018 63.172 63.100 0.151 0.000 0.771 444 P CB 1.089 32.865 31.700 0.127 0.000 0.864 445 A N 3.760 126.641 122.820 0.101 0.000 2.271 445 A HA 0.326 4.652 4.320 0.010 0.000 0.288 445 A C 0.444 178.046 177.584 0.030 0.000 1.094 445 A CA -0.531 51.502 52.037 -0.006 0.000 0.828 445 A CB 0.233 19.210 19.000 -0.037 0.000 1.091 445 A HN 0.514 nan 8.150 nan 0.000 0.493 446 Q N -0.447 119.358 119.800 0.008 0.000 2.417 446 Q HA 0.514 4.859 4.340 0.010 0.000 0.241 446 Q C -0.280 175.749 176.000 0.047 0.000 1.008 446 Q CA 0.251 56.075 55.803 0.035 0.000 0.901 446 Q CB 1.326 30.079 28.738 0.025 0.000 1.259 446 Q HN 0.853 nan 8.270 nan 0.000 0.489 447 A N 2.276 125.138 122.820 0.070 0.000 2.427 447 A HA 0.605 4.931 4.320 0.010 0.000 0.298 447 A C -0.641 177.000 177.584 0.094 0.000 1.036 447 A CA -0.696 51.387 52.037 0.078 0.000 0.701 447 A CB 0.904 19.961 19.000 0.095 0.000 1.250 447 A HN 0.844 nan 8.150 nan 0.000 0.412 448 N N 0.878 119.618 118.700 0.067 0.000 3.512 448 N HA 0.277 5.023 4.740 0.010 0.000 0.360 448 N C 0.853 176.367 175.510 0.008 0.000 1.593 448 N CA -0.211 52.876 53.050 0.062 0.000 0.672 448 N CB 0.084 38.586 38.487 0.024 0.000 2.105 448 N HN 0.522 nan 8.380 nan 0.000 0.645 449 Q N -0.850 118.864 119.800 -0.144 0.000 2.079 449 Q HA -0.088 4.258 4.340 0.010 0.000 0.200 449 Q C 0.936 176.780 176.000 -0.260 0.000 0.974 449 Q CA 2.443 57.983 55.803 -0.437 0.000 0.840 449 Q CB -0.225 28.010 28.738 -0.838 0.000 0.898 449 Q HN 0.846 nan 8.270 nan 0.000 0.430 450 T N -3.338 111.114 114.554 -0.169 0.000 3.044 450 T HA 0.234 4.590 4.350 0.010 0.000 0.250 450 T C 0.262 174.930 174.700 -0.055 0.000 1.081 450 T CA -0.220 61.814 62.100 -0.111 0.000 1.040 450 T CB 0.640 69.449 68.868 -0.098 0.000 0.962 450 T HN -0.022 nan 8.240 nan 0.000 0.506 451 V N 0.782 120.676 119.914 -0.033 0.000 2.577 451 V HA 0.702 4.828 4.120 0.010 0.000 0.303 451 V C 1.089 177.197 176.094 0.022 0.000 1.042 451 V CA -0.296 62.002 62.300 -0.004 0.000 0.872 451 V CB 0.823 32.644 31.823 -0.002 0.000 0.998 451 V HN 0.531 nan 8.190 nan 0.000 0.423 452 G N 4.007 112.825 108.800 0.031 0.000 2.148 452 G HA2 -0.287 3.679 3.960 0.010 0.000 0.254 452 G HA3 -0.287 3.679 3.960 0.010 0.000 0.254 452 G C 0.498 175.438 174.900 0.067 0.000 0.981 452 G CA 0.209 45.340 45.100 0.051 0.000 0.670 452 G HN 0.934 nan 8.290 nan 0.000 0.528 453 R N -1.432 119.106 120.500 0.063 0.000 3.251 453 R HA -0.143 4.203 4.340 0.010 0.000 0.249 453 R C 1.063 177.442 176.300 0.133 0.000 0.949 453 R CA 0.775 56.929 56.100 0.091 0.000 0.645 453 R CB -2.091 28.256 30.300 0.080 0.000 1.065 453 R HN 1.431 nan 8.270 nan 0.000 0.452 454 G N 0.526 109.416 108.800 0.149 0.000 2.448 454 G HA2 0.391 4.357 3.960 0.010 0.000 0.285 454 G HA3 0.391 4.357 3.960 0.010 0.000 0.285 454 G C -0.223 174.854 174.900 0.296 0.000 1.176 454 G CA -0.665 44.555 45.100 0.199 0.000 0.852 454 G HN 0.252 nan 8.290 nan 0.000 0.530 455 F N 1.858 121.895 119.950 0.144 0.000 2.602 455 F HA 0.470 5.003 4.527 0.010 0.000 0.367 455 F C -0.194 175.733 175.800 0.213 0.000 1.126 455 F CA -0.210 57.849 58.000 0.099 0.000 1.321 455 F CB 0.296 39.316 39.000 0.032 0.000 1.094 455 F HN 0.421 nan 8.300 nan 0.000 0.594 456 F N 2.210 121.643 119.950 -0.863 0.000 2.608 456 F HA 0.500 5.033 4.527 0.010 0.000 0.309 456 F C -0.744 174.591 175.800 -0.774 0.000 1.103 456 F CA -1.145 56.524 58.000 -0.550 0.000 0.954 456 F CB 0.283 39.132 39.000 -0.251 0.000 1.267 456 F HN 0.307 nan 8.300 nan 0.000 0.444 457 T N 1.518 115.933 114.554 -0.231 0.000 2.926 457 T HA 0.173 4.529 4.350 0.010 0.000 0.307 457 T C 0.109 174.793 174.700 -0.027 0.000 1.059 457 T CA -0.030 62.002 62.100 -0.113 0.000 1.122 457 T CB 0.486 69.422 68.868 0.114 0.000 0.972 457 T HN 0.760 nan 8.240 nan 0.000 0.545 458 T N 6.382 120.901 114.554 -0.058 0.000 2.738 458 T HA 0.043 4.399 4.350 0.010 0.000 0.277 458 T C -1.336 173.411 174.700 0.079 0.000 0.981 458 T CA -0.907 61.204 62.100 0.019 0.000 1.211 458 T CB 0.405 69.272 68.868 -0.002 0.000 0.932 458 T HN 0.417 nan 8.240 nan 0.000 0.522 459 P HA -0.089 nan 4.420 nan 0.000 0.217 459 P C 1.717 179.046 177.300 0.048 0.000 1.148 459 P CA 0.808 63.953 63.100 0.076 0.000 0.828 459 P CB -0.004 31.730 31.700 0.055 0.000 0.783 460 G N -0.971 107.855 108.800 0.043 0.000 2.484 460 G HA2 -0.125 3.841 3.960 0.010 0.000 0.218 460 G HA3 -0.125 3.841 3.960 0.010 0.000 0.218 460 G C 0.823 175.740 174.900 0.029 0.000 1.130 460 G CA -0.087 45.030 45.100 0.029 0.000 0.784 460 G HN 0.225 nan 8.290 nan 0.000 0.543 461 R N 0.818 121.340 120.500 0.037 0.000 2.590 461 R HA 0.365 4.711 4.340 0.010 0.000 0.274 461 R C 0.111 176.433 176.300 0.037 0.000 1.061 461 R CA 0.728 56.851 56.100 0.038 0.000 1.081 461 R CB 0.481 30.812 30.300 0.051 0.000 0.984 461 R HN 0.338 nan 8.270 nan 0.000 0.448 462 T N -1.587 112.985 114.554 0.031 0.000 2.841 462 T HA 0.732 5.088 4.350 0.010 0.000 0.296 462 T C -0.979 173.735 174.700 0.024 0.000 1.166 462 T CA -1.019 61.097 62.100 0.026 0.000 1.007 462 T CB 2.068 70.947 68.868 0.018 0.000 1.253 462 T HN 0.583 nan 8.240 nan 0.000 0.511 463 A N 0.452 123.283 122.820 0.020 0.000 2.374 463 A HA 0.920 5.245 4.320 0.010 0.000 0.317 463 A C -0.256 177.333 177.584 0.009 0.000 1.094 463 A CA -0.801 51.245 52.037 0.014 0.000 0.765 463 A CB 1.643 20.653 19.000 0.016 0.000 1.268 463 A HN 1.317 nan 8.150 nan 0.000 0.438 464 S N 0.107 115.809 115.700 0.004 0.000 2.548 464 S HA 0.722 5.198 4.470 0.010 0.000 0.278 464 S C -0.338 174.260 174.600 -0.004 0.000 1.150 464 S CA 0.837 59.037 58.200 0.001 0.000 0.907 464 S CB 0.909 64.109 63.200 0.000 0.000 1.108 464 S HN 2.880 nan 8.310 nan 0.000 0.459 465 G N 1.427 110.224 108.800 -0.005 0.000 2.434 465 G HA2 0.108 4.073 3.960 0.010 0.000 0.671 465 G HA3 0.108 4.073 3.960 0.010 0.000 0.671 465 G C -0.694 174.201 174.900 -0.008 0.000 1.280 465 G CA -0.320 44.776 45.100 -0.008 0.000 0.975 465 G HN 1.573 nan 8.290 nan 0.000 0.510 466 V N 0.721 120.629 119.914 -0.010 0.000 2.881 466 V HA 0.582 4.707 4.120 0.010 0.000 0.303 466 V C 1.111 177.197 176.094 -0.013 0.000 1.070 466 V CA -0.620 61.673 62.300 -0.010 0.000 1.074 466 V CB 0.937 32.754 31.823 -0.010 0.000 1.012 466 V HN 0.743 nan 8.190 nan 0.000 0.482 467 L N 6.268 127.483 121.223 -0.012 0.000 2.418 467 L HA 0.336 4.682 4.340 0.010 0.000 0.274 467 L C 0.044 176.904 176.870 -0.017 0.000 1.135 467 L CA 0.184 55.016 54.840 -0.014 0.000 0.870 467 L CB 0.072 42.124 42.059 -0.012 0.000 1.154 467 L HN 0.943 nan 8.230 nan 0.000 0.462 468 N N 1.664 120.351 118.700 -0.022 0.000 2.277 468 N HA 0.420 5.166 4.740 0.010 0.000 0.286 468 N C -0.836 174.657 175.510 -0.027 0.000 1.140 468 N CA -1.098 51.938 53.050 -0.024 0.000 0.799 468 N CB 1.442 39.912 38.487 -0.028 0.000 1.596 468 N HN 0.310 nan 8.380 nan 0.000 0.473 469 R N 0.726 121.212 120.500 -0.023 0.000 3.785 469 R HA 0.276 4.622 4.340 0.010 0.000 0.255 469 R C -0.817 175.468 176.300 -0.025 0.000 1.485 469 R CA -0.158 55.928 56.100 -0.023 0.000 1.555 469 R CB 0.133 30.424 30.300 -0.015 0.000 1.362 469 R HN 0.637 nan 8.270 nan 0.000 0.702 470 E N 0.379 120.556 120.200 -0.039 0.000 2.410 470 E HA 0.397 4.753 4.350 0.010 0.000 0.269 470 E C -1.444 175.104 176.600 -0.086 0.000 0.937 470 E CA -1.133 55.238 56.400 -0.047 0.000 0.793 470 E CB 2.141 31.815 29.700 -0.043 0.000 1.314 470 E HN -0.053 nan 8.360 nan 0.000 0.447 471 L N 0.572 121.736 121.223 -0.099 0.000 2.342 471 L HA 0.407 4.753 4.340 0.010 0.000 0.271 471 L C -0.228 176.516 176.870 -0.210 0.000 1.008 471 L CA -0.264 54.455 54.840 -0.203 0.000 0.818 471 L CB 2.010 43.985 42.059 -0.140 0.000 1.296 471 L HN 0.483 nan 8.230 nan 0.000 0.427 472 S N 1.926 117.392 115.700 -0.389 0.000 2.573 472 S HA 0.308 4.784 4.470 0.010 0.000 0.277 472 S C 1.301 175.886 174.600 -0.025 0.000 1.346 472 S CA 0.226 58.303 58.200 -0.206 0.000 1.034 472 S CB 0.997 64.060 63.200 -0.229 0.000 0.879 472 S HN 0.821 nan 8.310 nan 0.000 0.528 473 A N 2.834 125.671 122.820 0.027 0.000 2.121 473 A HA 0.005 4.331 4.320 0.010 0.000 0.218 473 A C 2.107 179.760 177.584 0.114 0.000 1.154 473 A CA 1.644 53.719 52.037 0.063 0.000 0.679 473 A CB -1.212 17.811 19.000 0.038 0.000 0.795 473 A HN 1.036 nan 8.150 nan 0.000 0.458 474 T N -4.060 110.599 114.554 0.175 0.000 3.113 474 T HA 0.023 4.378 4.350 0.010 0.000 0.263 474 T C 0.960 175.841 174.700 0.302 0.000 1.143 474 T CA 0.640 62.868 62.100 0.213 0.000 1.090 474 T CB -0.493 68.505 68.868 0.216 0.000 0.922 474 T HN 0.225 nan 8.240 nan 0.000 0.521 475 F N 1.573 121.529 119.950 0.010 0.000 2.765 475 F HA 0.322 4.855 4.527 0.010 0.000 0.302 475 F C 1.405 177.144 175.800 -0.102 0.000 1.111 475 F CA -1.230 56.776 58.000 0.010 0.000 1.359 475 F CB -0.096 38.942 39.000 0.064 0.000 1.097 475 F HN 0.110 nan 8.300 nan 0.000 0.577 476 D N -0.428 119.985 120.400 0.021 0.000 2.219 476 D HA -0.123 4.523 4.640 0.010 0.000 0.205 476 D C 0.698 176.646 176.300 -0.586 0.000 0.970 476 D CA 0.916 54.810 54.000 -0.177 0.000 0.851 476 D CB -0.176 40.616 40.800 -0.012 0.000 0.943 476 D HN 0.100 nan 8.370 nan 0.000 0.488 477 D N 0.053 120.219 120.400 -0.391 0.000 2.343 477 D HA -0.018 4.628 4.640 0.010 0.000 0.255 477 D C 0.473 176.394 176.300 -0.631 0.000 1.187 477 D CA 0.137 53.913 54.000 -0.374 0.000 0.875 477 D CB 0.375 41.127 40.800 -0.080 0.000 1.136 477 D HN 0.211 nan 8.370 nan 0.000 0.469 478 H N 3.394 122.155 119.070 -0.515 0.000 2.893 478 H HA 0.059 4.621 4.556 0.010 0.000 0.270 478 H C 0.162 174.978 175.328 -0.854 0.000 1.095 478 H CA 0.087 55.713 56.048 -0.704 0.000 1.186 478 H CB 0.582 29.826 29.762 -0.864 0.000 1.562 478 H HN 0.487 nan 8.280 nan 0.000 0.536 479 Y N -0.415 119.664 120.300 -0.368 0.000 2.430 479 Y HA 0.132 4.688 4.550 0.010 0.000 0.254 479 Y C 2.236 178.041 175.900 -0.158 0.000 1.088 479 Y CA 0.202 58.101 58.100 -0.335 0.000 1.267 479 Y CB 0.363 38.502 38.460 -0.535 0.000 1.204 479 Y HN -0.055 nan 8.280 nan 0.000 0.515 480 T N 0.171 114.732 114.554 0.012 0.000 2.701 480 T HA -0.157 4.199 4.350 0.010 0.000 0.263 480 T C 1.775 176.524 174.700 0.082 0.000 1.040 480 T CA 1.636 63.815 62.100 0.131 0.000 1.147 480 T CB -0.135 68.757 68.868 0.040 0.000 0.865 480 T HN 0.336 nan 8.240 nan 0.000 0.426 481 Q N 0.204 119.885 119.800 -0.199 0.000 2.123 481 Q HA -0.029 4.316 4.340 0.010 0.000 0.199 481 Q C -0.514 175.279 176.000 -0.345 0.000 0.966 481 Q CA 1.171 56.754 55.803 -0.367 0.000 0.845 481 Q CB -1.181 27.098 28.738 -0.765 0.000 0.907 481 Q HN 0.421 nan 8.270 nan 0.000 0.439 482 P HA -0.202 nan 4.420 nan 0.000 0.216 482 P C 1.119 178.377 177.300 -0.071 0.000 1.153 482 P CA 1.409 64.364 63.100 -0.242 0.000 0.858 482 P CB -0.027 31.396 31.700 -0.461 0.000 0.789 483 R N -0.353 120.144 120.500 -0.004 0.000 2.090 483 R HA -0.059 4.287 4.340 0.010 0.000 0.228 483 R C 2.058 178.416 176.300 0.097 0.000 1.110 483 R CA 1.102 57.227 56.100 0.042 0.000 0.973 483 R CB -1.699 28.598 30.300 -0.005 0.000 0.869 483 R HN 0.060 nan 8.270 nan 0.000 0.440 484 L N 0.024 121.406 121.223 0.264 0.000 2.042 484 L HA -0.061 4.285 4.340 0.010 0.000 0.210 484 L C 1.998 179.051 176.870 0.306 0.000 1.076 484 L CA 1.756 56.798 54.840 0.337 0.000 0.749 484 L CB -0.807 41.450 42.059 0.329 0.000 0.893 484 L HN 0.295 nan 8.230 nan 0.000 0.432 485 F N -0.941 119.141 119.950 0.221 0.000 2.113 485 F HA -0.235 4.298 4.527 0.010 0.000 0.297 485 F C 2.198 178.060 175.800 0.102 0.000 1.103 485 F CA 1.581 59.685 58.000 0.173 0.000 1.248 485 F CB -0.682 38.415 39.000 0.162 0.000 0.999 485 F HN 0.160 nan 8.300 nan 0.000 0.475 486 F N 1.483 121.402 119.950 -0.051 0.000 2.171 486 F HA -0.204 4.329 4.527 0.010 0.000 0.300 486 F C 2.115 177.816 175.800 -0.165 0.000 1.090 486 F CA 1.772 59.701 58.000 -0.118 0.000 1.293 486 F CB -0.628 38.457 39.000 0.142 0.000 1.013 486 F HN -0.047 nan 8.300 nan 0.000 0.486 487 N N -0.233 118.468 118.700 0.003 0.000 2.244 487 N HA -0.121 4.625 4.740 0.010 0.000 0.183 487 N C 1.819 177.243 175.510 -0.143 0.000 1.016 487 N CA 1.393 54.403 53.050 -0.067 0.000 0.866 487 N CB -0.503 37.977 38.487 -0.012 0.000 0.980 487 N HN 0.185 nan 8.380 nan 0.000 0.430 488 S N 0.297 115.904 115.700 -0.156 0.000 2.522 488 S HA 0.156 4.632 4.470 0.010 0.000 0.227 488 S C 0.941 175.402 174.600 -0.231 0.000 0.986 488 S CA 0.039 58.158 58.200 -0.136 0.000 0.929 488 S CB 0.191 63.364 63.200 -0.044 0.000 0.769 488 S HN 0.180 nan 8.310 nan 0.000 0.529 489 L N 1.787 122.775 121.223 -0.393 0.000 2.439 489 L HA 0.303 4.649 4.340 0.010 0.000 0.259 489 L C 1.083 177.773 176.870 -0.300 0.000 1.129 489 L CA -0.752 53.856 54.840 -0.386 0.000 0.803 489 L CB 0.315 42.038 42.059 -0.561 0.000 1.161 489 L HN 0.113 nan 8.230 nan 0.000 0.462 490 T N -2.582 111.839 114.554 -0.221 0.000 2.828 490 T HA 0.203 4.559 4.350 0.010 0.000 0.290 490 T C -1.961 172.589 174.700 -0.251 0.000 1.019 490 T CA -1.607 60.383 62.100 -0.183 0.000 1.031 490 T CB 1.092 69.895 68.868 -0.109 0.000 1.001 490 T HN 0.336 nan 8.240 nan 0.000 0.531 491 P HA -0.091 nan 4.420 nan 0.000 0.216 491 P C 1.629 178.758 177.300 -0.284 0.000 1.150 491 P CA 0.586 63.556 63.100 -0.216 0.000 0.843 491 P CB -0.168 31.445 31.700 -0.144 0.000 0.787 492 V N -0.290 119.424 119.914 -0.333 0.000 2.488 492 V HA -0.169 3.957 4.120 0.010 0.000 0.246 492 V C 2.263 177.865 176.094 -0.820 0.000 1.046 492 V CA 1.601 63.554 62.300 -0.578 0.000 1.053 492 V CB -1.131 30.362 31.823 -0.550 0.000 0.679 492 V HN 0.151 nan 8.190 nan 0.000 0.458 493 E N -0.003 119.917 120.200 -0.466 0.000 2.072 493 E HA -0.253 4.102 4.350 0.010 0.000 0.191 493 E C 2.347 178.797 176.600 -0.251 0.000 0.985 493 E CA 1.252 57.511 56.400 -0.235 0.000 0.801 493 E CB -0.126 29.515 29.700 -0.097 0.000 0.750 493 E HN 0.660 nan 8.360 nan 0.000 0.452 494 Q N 0.293 119.860 119.800 -0.387 0.000 2.124 494 Q HA -0.243 4.103 4.340 0.010 0.000 0.202 494 Q C 2.173 178.083 176.000 -0.149 0.000 0.977 494 Q CA 1.372 56.902 55.803 -0.454 0.000 0.850 494 Q CB -0.064 28.260 28.738 -0.691 0.000 0.901 494 Q HN 0.097 nan 8.270 nan 0.000 0.429 495 Q N 0.025 119.686 119.800 -0.232 0.000 2.119 495 Q HA -0.144 4.201 4.340 0.010 0.000 0.201 495 Q C 1.474 177.415 176.000 -0.100 0.000 0.972 495 Q CA 1.448 57.145 55.803 -0.177 0.000 0.847 495 Q CB -0.096 28.467 28.738 -0.292 0.000 0.903 495 Q HN 0.279 nan 8.270 nan 0.000 0.433 496 F N -0.867 119.005 119.950 -0.130 0.000 2.134 496 F HA -0.146 4.387 4.527 0.010 0.000 0.299 496 F C 2.225 177.989 175.800 -0.060 0.000 1.097 496 F CA 0.796 58.719 58.000 -0.129 0.000 1.264 496 F CB -0.967 37.902 39.000 -0.219 0.000 1.001 496 F HN -0.049 nan 8.300 nan 0.000 0.479 497 V N 0.214 120.215 119.914 0.144 0.000 2.343 497 V HA -0.279 3.847 4.120 0.010 0.000 0.247 497 V C 2.410 178.528 176.094 0.039 0.000 1.051 497 V CA 1.642 63.993 62.300 0.085 0.000 1.036 497 V CB -0.592 31.294 31.823 0.106 0.000 0.654 497 V HN 0.261 nan 8.190 nan 0.000 0.451 498 I N 0.469 121.087 120.570 0.080 0.000 2.252 498 I HA -0.187 3.988 4.170 0.010 0.000 0.245 498 I C 2.290 178.437 176.117 0.049 0.000 1.102 498 I CA 1.327 62.656 61.300 0.049 0.000 1.385 498 I CB -0.493 37.556 38.000 0.081 0.000 1.064 498 I HN 0.345 nan 8.210 nan 0.000 0.414 499 N N 1.214 119.962 118.700 0.080 0.000 2.289 499 N HA -0.114 4.631 4.740 0.010 0.000 0.184 499 N C 1.810 177.378 175.510 0.095 0.000 1.016 499 N CA 1.416 54.531 53.050 0.108 0.000 0.872 499 N CB -0.321 38.260 38.487 0.156 0.000 0.973 499 N HN 0.354 nan 8.380 nan 0.000 0.433 500 A N 0.848 123.697 122.820 0.047 0.000 1.898 500 A HA 0.000 4.326 4.320 0.010 0.000 0.216 500 A C 2.266 179.883 177.584 0.054 0.000 1.181 500 A CA 0.738 52.755 52.037 -0.033 0.000 0.620 500 A CB -0.495 18.467 19.000 -0.064 0.000 0.819 500 A HN 0.193 nan 8.150 nan 0.000 0.442 501 I N -0.972 119.633 120.570 0.058 0.000 2.252 501 I HA -0.236 3.940 4.170 0.010 0.000 0.245 501 I C 2.735 178.809 176.117 -0.072 0.000 1.102 501 I CA 1.137 62.469 61.300 0.052 0.000 1.385 501 I CB -0.350 37.674 38.000 0.040 0.000 1.064 501 I HN 0.276 nan 8.210 nan 0.000 0.414 502 R N 0.185 120.681 120.500 -0.007 0.000 2.091 502 R HA -0.227 4.119 4.340 0.010 0.000 0.238 502 R C 2.334 178.654 176.300 0.032 0.000 1.136 502 R CA 1.974 58.072 56.100 -0.004 0.000 0.959 502 R CB -0.548 29.782 30.300 0.051 0.000 0.856 502 R HN 0.287 nan 8.270 nan 0.000 0.437 503 F N 1.856 121.788 119.950 -0.029 0.000 2.084 503 F HA -0.153 4.380 4.527 0.009 0.000 0.296 503 F C 1.984 177.849 175.800 0.108 0.000 1.111 503 F CA 1.559 59.589 58.000 0.049 0.000 1.224 503 F CB -0.007 38.993 39.000 0.000 0.000 0.991 503 F HN -0.054 nan 8.300 nan 0.000 0.471 504 E N 0.115 120.311 120.200 -0.006 0.000 2.158 504 E HA -0.083 4.273 4.350 0.010 0.000 0.191 504 E C 2.288 178.632 176.600 -0.427 0.000 0.982 504 E CA 0.764 57.079 56.400 -0.141 0.000 0.823 504 E CB -0.332 29.507 29.700 0.231 0.000 0.766 504 E HN 0.497 nan 8.360 nan 0.000 0.468 505 A N 1.617 124.050 122.820 -0.646 0.000 2.015 505 A HA -0.140 4.186 4.320 0.010 0.000 0.219 505 A C 2.310 179.673 177.584 -0.369 0.000 1.163 505 A CA 1.527 53.109 52.037 -0.759 0.000 0.646 505 A CB -0.411 18.180 19.000 -0.682 0.000 0.806 505 A HN 0.293 nan 8.150 nan 0.000 0.448 506 S N -0.747 114.803 115.700 -0.249 0.000 2.447 506 S HA -0.167 4.309 4.470 0.010 0.000 0.233 506 S C 1.542 175.997 174.600 -0.241 0.000 1.006 506 S CA 1.321 59.392 58.200 -0.214 0.000 0.957 506 S CB -0.736 62.337 63.200 -0.212 0.000 0.773 506 S HN 0.684 nan 8.310 nan 0.000 0.507 507 H N 0.855 119.761 119.070 -0.273 0.000 2.524 507 H HA 0.298 4.860 4.556 0.010 0.000 0.282 507 H C 0.275 175.535 175.328 -0.113 0.000 1.016 507 H CA 0.507 56.444 56.048 -0.184 0.000 1.270 507 H CB -0.243 29.415 29.762 -0.173 0.000 1.394 507 H HN 0.232 nan 8.280 nan 0.000 0.568 508 V N 2.608 122.496 119.914 -0.044 0.000 2.450 508 V HA -0.076 4.050 4.120 0.010 0.000 0.281 508 V C 1.576 177.652 176.094 -0.030 0.000 1.019 508 V CA 0.825 63.106 62.300 -0.032 0.000 1.062 508 V CB 0.859 32.632 31.823 -0.083 0.000 0.979 508 V HN 0.599 nan 8.190 nan 0.000 0.477 509 T N 1.299 115.853 114.554 -0.001 0.000 2.857 509 T HA -0.103 4.252 4.350 0.010 0.000 0.266 509 T C 0.945 175.640 174.700 -0.007 0.000 1.048 509 T CA 0.537 62.632 62.100 -0.008 0.000 1.139 509 T CB -0.177 68.694 68.868 0.005 0.000 0.874 509 T HN 0.563 nan 8.240 nan 0.000 0.455 510 N N 1.675 120.377 118.700 0.003 0.000 2.475 510 N HA 0.005 4.751 4.740 0.010 0.000 0.267 510 N C 0.879 176.389 175.510 -0.001 0.000 1.169 510 N CA 0.073 53.126 53.050 0.006 0.000 0.947 510 N CB 1.289 39.786 38.487 0.017 0.000 1.061 510 N HN 0.535 nan 8.380 nan 0.000 0.466 511 E N 2.572 122.771 120.200 -0.002 0.000 2.072 511 E HA -0.227 4.129 4.350 0.010 0.000 0.190 511 E C 1.383 177.985 176.600 0.004 0.000 0.982 511 E CA 0.994 57.391 56.400 -0.005 0.000 0.803 511 E CB 0.155 29.852 29.700 -0.005 0.000 0.755 511 E HN 0.586 nan 8.360 nan 0.000 0.453 512 Q N 0.170 119.977 119.800 0.011 0.000 2.167 512 Q HA -0.085 4.260 4.340 0.010 0.000 0.202 512 Q C 1.969 177.987 176.000 0.029 0.000 0.970 512 Q CA 1.298 57.113 55.803 0.018 0.000 0.855 512 Q CB -0.071 28.679 28.738 0.018 0.000 0.911 512 Q HN 0.227 nan 8.270 nan 0.000 0.438 513 V N 0.590 120.524 119.914 0.032 0.000 2.343 513 V HA -0.253 3.873 4.120 0.010 0.000 0.247 513 V C 2.068 178.198 176.094 0.059 0.000 1.051 513 V CA 2.064 64.397 62.300 0.054 0.000 1.036 513 V CB -0.438 31.420 31.823 0.058 0.000 0.654 513 V HN 0.349 nan 8.190 nan 0.000 0.451 514 K N -0.138 120.275 120.400 0.021 0.000 2.097 514 K HA -0.135 4.191 4.320 0.010 0.000 0.205 514 K C 2.241 178.853 176.600 0.019 0.000 1.050 514 K CA 1.122 57.407 56.287 -0.003 0.000 0.938 514 K CB -0.154 32.321 32.500 -0.042 0.000 0.718 514 K HN 0.415 nan 8.250 nan 0.000 0.442 515 K N 0.665 121.079 120.400 0.024 0.000 2.097 515 K HA -0.089 4.237 4.320 0.010 0.000 0.205 515 K C 1.638 178.269 176.600 0.050 0.000 1.050 515 K CA 1.353 57.658 56.287 0.030 0.000 0.938 515 K CB -0.143 32.371 32.500 0.023 0.000 0.718 515 K HN 0.240 nan 8.250 nan 0.000 0.442 516 N N 0.281 119.018 118.700 0.062 0.000 2.244 516 N HA -0.123 4.623 4.740 0.010 0.000 0.183 516 N C 1.708 177.291 175.510 0.121 0.000 1.016 516 N CA 0.614 53.713 53.050 0.082 0.000 0.866 516 N CB 0.098 38.632 38.487 0.078 0.000 0.980 516 N HN -0.092 nan 8.380 nan 0.000 0.430 517 V N 1.436 121.437 119.914 0.145 0.000 2.307 517 V HA -0.168 3.958 4.120 0.010 0.000 0.245 517 V C 2.143 178.337 176.094 0.167 0.000 1.045 517 V CA 1.352 63.780 62.300 0.214 0.000 1.024 517 V CB -0.479 31.485 31.823 0.234 0.000 0.651 517 V HN 0.302 nan 8.190 nan 0.000 0.449 518 L N -0.099 121.185 121.223 0.101 0.000 2.083 518 L HA -0.204 4.142 4.340 0.010 0.000 0.209 518 L C 2.581 179.499 176.870 0.081 0.000 1.083 518 L CA 1.889 56.776 54.840 0.078 0.000 0.752 518 L CB -0.514 41.571 42.059 0.042 0.000 0.899 518 L HN 0.452 nan 8.230 nan 0.000 0.433 519 E N -0.346 119.900 120.200 0.077 0.000 2.077 519 E HA -0.244 4.112 4.350 0.010 0.000 0.193 519 E C 2.220 178.862 176.600 0.070 0.000 0.989 519 E CA 1.065 57.503 56.400 0.062 0.000 0.800 519 E CB 0.170 29.903 29.700 0.056 0.000 0.746 519 E HN 0.413 nan 8.360 nan 0.000 0.452 520 Q N 0.139 120.011 119.800 0.120 0.000 2.123 520 Q HA -0.077 4.269 4.340 0.010 0.000 0.199 520 Q C 2.436 178.545 176.000 0.182 0.000 0.966 520 Q CA 0.798 56.704 55.803 0.172 0.000 0.845 520 Q CB -0.112 28.767 28.738 0.235 0.000 0.907 520 Q HN 0.406 nan 8.270 nan 0.000 0.439 521 L N 0.840 122.177 121.223 0.189 0.000 2.141 521 L HA -0.161 4.185 4.340 0.010 0.000 0.209 521 L C 2.127 179.072 176.870 0.125 0.000 1.094 521 L CA 0.896 55.856 54.840 0.200 0.000 0.763 521 L CB -0.379 41.800 42.059 0.199 0.000 0.908 521 L HN 0.215 nan 8.230 nan 0.000 0.437 522 N N 0.477 119.234 118.700 0.096 0.000 2.244 522 N HA -0.177 4.568 4.740 0.010 0.000 0.183 522 N C 1.709 177.311 175.510 0.152 0.000 1.016 522 N CA 1.285 54.397 53.050 0.103 0.000 0.866 522 N CB 0.091 38.625 38.487 0.078 0.000 0.980 522 N HN 0.188 nan 8.380 nan 0.000 0.430 523 K N -0.270 120.138 120.400 0.014 0.000 2.148 523 K HA -0.002 4.324 4.320 0.010 0.000 0.204 523 K C 1.826 178.459 176.600 0.055 0.000 1.050 523 K CA 0.878 57.078 56.287 -0.146 0.000 0.942 523 K CB 0.034 32.092 32.500 -0.736 0.000 0.724 523 K HN 0.285 nan 8.250 nan 0.000 0.446 524 I N -0.394 120.244 120.570 0.113 0.000 2.193 524 I HA -0.131 4.045 4.170 0.010 0.000 0.240 524 I C 0.953 177.142 176.117 0.120 0.000 1.084 524 I CA 0.560 61.938 61.300 0.131 0.000 1.365 524 I CB 0.232 38.227 38.000 -0.009 0.000 1.064 524 I HN -0.062 nan 8.210 nan 0.000 0.410 525 S N -0.520 115.192 115.700 0.020 0.000 2.584 525 S HA 0.164 4.640 4.470 0.010 0.000 0.280 525 S C 0.223 174.702 174.600 -0.201 0.000 1.162 525 S CA -0.776 57.260 58.200 -0.273 0.000 0.951 525 S CB 0.967 63.968 63.200 -0.331 0.000 1.108 525 S HN 0.267 nan 8.310 nan 0.000 0.464 526 N N 2.765 121.266 118.700 -0.330 0.000 2.188 526 N HA -0.168 4.577 4.740 0.010 0.000 0.184 526 N C 1.160 176.611 175.510 -0.099 0.000 1.018 526 N CA 1.773 54.765 53.050 -0.097 0.000 0.858 526 N CB -0.168 38.294 38.487 -0.041 0.000 0.989 526 N HN 0.758 nan 8.380 nan 0.000 0.426 527 D N 0.325 120.633 120.400 -0.154 0.000 2.104 527 D HA -0.116 4.530 4.640 0.010 0.000 0.194 527 D C 2.019 178.271 176.300 -0.079 0.000 0.994 527 D CA 0.980 54.926 54.000 -0.090 0.000 0.830 527 D CB -0.072 40.684 40.800 -0.074 0.000 0.959 527 D HN 0.068 nan 8.370 nan 0.000 0.452 528 V N 0.708 120.530 119.914 -0.153 0.000 2.343 528 V HA -0.173 3.953 4.120 0.010 0.000 0.247 528 V C 2.600 178.656 176.094 -0.064 0.000 1.051 528 V CA 1.745 63.947 62.300 -0.163 0.000 1.036 528 V CB -0.953 30.665 31.823 -0.342 0.000 0.654 528 V HN 0.343 nan 8.190 nan 0.000 0.451 529 A N -0.317 122.480 122.820 -0.037 0.000 1.930 529 A HA -0.230 4.096 4.320 0.010 0.000 0.217 529 A C 2.289 179.874 177.584 0.002 0.000 1.175 529 A CA 1.994 54.035 52.037 0.006 0.000 0.627 529 A CB -0.405 18.613 19.000 0.030 0.000 0.815 529 A HN 0.519 nan 8.150 nan 0.000 0.443 530 K N -0.611 119.785 120.400 -0.007 0.000 2.057 530 K HA -0.080 4.245 4.320 0.010 0.000 0.206 530 K C 2.337 178.936 176.600 -0.002 0.000 1.050 530 K CA 1.528 57.814 56.287 -0.002 0.000 0.935 530 K CB -0.145 32.353 32.500 -0.004 0.000 0.715 530 K HN 0.396 nan 8.250 nan 0.000 0.439 531 R N 0.068 120.565 120.500 -0.004 0.000 2.066 531 R HA -0.076 4.270 4.340 0.010 0.000 0.232 531 R C 2.225 178.526 176.300 0.002 0.000 1.131 531 R CA 1.213 57.315 56.100 0.004 0.000 0.955 531 R CB -0.433 29.875 30.300 0.012 0.000 0.851 531 R HN -0.017 nan 8.270 nan 0.000 0.432 532 V N 1.072 120.983 119.914 -0.005 0.000 2.392 532 V HA -0.245 3.881 4.120 0.010 0.000 0.249 532 V C 2.312 178.395 176.094 -0.018 0.000 1.059 532 V CA 1.949 64.241 62.300 -0.013 0.000 1.051 532 V CB -0.669 31.145 31.823 -0.016 0.000 0.658 532 V HN 0.438 nan 8.190 nan 0.000 0.455 533 A N -0.386 122.429 122.820 -0.010 0.000 2.067 533 A HA -0.107 4.219 4.320 0.010 0.000 0.219 533 A C 2.338 179.916 177.584 -0.010 0.000 1.158 533 A CA 1.644 53.675 52.037 -0.010 0.000 0.661 533 A CB -0.468 18.532 19.000 -0.001 0.000 0.801 533 A HN 0.369 nan 8.150 nan 0.000 0.452 534 V N -0.271 119.640 119.914 -0.005 0.000 2.358 534 V HA -0.234 3.892 4.120 0.010 0.000 0.246 534 V C 3.018 179.110 176.094 -0.004 0.000 1.047 534 V CA 1.888 64.188 62.300 -0.001 0.000 1.035 534 V CB -1.168 30.658 31.823 0.005 0.000 0.658 534 V HN 0.592 nan 8.190 nan 0.000 0.452 535 A N -0.165 122.651 122.820 -0.006 0.000 1.930 535 A HA -0.071 4.255 4.320 0.010 0.000 0.217 535 A C 2.121 179.687 177.584 -0.030 0.000 1.175 535 A CA 1.477 53.508 52.037 -0.010 0.000 0.627 535 A CB -0.463 18.535 19.000 -0.004 0.000 0.815 535 A HN 0.528 nan 8.150 nan 0.000 0.443 536 L N -1.232 119.966 121.223 -0.041 0.000 2.478 536 L HA 0.139 4.485 4.340 0.010 0.000 0.223 536 L C 1.696 178.544 176.870 -0.036 0.000 1.140 536 L CA 0.526 55.334 54.840 -0.053 0.000 0.842 536 L CB -0.535 41.487 42.059 -0.063 0.000 0.953 536 L HN 0.570 nan 8.230 nan 0.000 0.452 537 G N 0.883 109.669 108.800 -0.024 0.000 2.176 537 G HA2 -0.269 3.697 3.960 0.010 0.000 0.252 537 G HA3 -0.269 3.697 3.960 0.010 0.000 0.252 537 G C 0.061 174.953 174.900 -0.013 0.000 1.024 537 G CA 0.098 45.188 45.100 -0.016 0.000 0.755 537 G HN 0.240 nan 8.290 nan 0.000 0.507 538 L N -0.748 120.467 121.223 -0.013 0.000 2.365 538 L HA 0.566 4.912 4.340 0.010 0.000 0.267 538 L C 0.827 177.696 176.870 -0.002 0.000 1.033 538 L CA -1.079 53.756 54.840 -0.008 0.000 0.802 538 L CB 0.996 43.050 42.059 -0.008 0.000 1.267 538 L HN 0.116 nan 8.230 nan 0.000 0.457 539 E N 0.861 121.062 120.200 0.002 0.000 2.324 539 E HA 0.256 4.612 4.350 0.010 0.000 0.271 539 E C -0.417 176.188 176.600 0.008 0.000 1.028 539 E CA -0.479 55.924 56.400 0.005 0.000 0.890 539 E CB 1.197 30.901 29.700 0.006 0.000 1.004 539 E HN 0.569 nan 8.360 nan 0.000 0.431 540 A N 6.206 129.031 122.820 0.009 0.000 2.444 540 A HA 0.205 4.531 4.320 0.010 0.000 0.273 540 A C -1.904 175.691 177.584 0.018 0.000 1.136 540 A CA -1.148 50.896 52.037 0.013 0.000 0.799 540 A CB -0.281 18.726 19.000 0.010 0.000 1.081 540 A HN 0.395 nan 8.150 nan 0.000 0.509 541 P HA 0.182 nan 4.420 nan 0.000 0.274 541 P C -0.592 176.729 177.300 0.034 0.000 1.256 541 P CA -0.421 62.695 63.100 0.027 0.000 0.795 541 P CB 0.499 32.218 31.700 0.030 0.000 1.038 542 Q N 0.290 120.109 119.800 0.032 0.000 2.394 542 Q HA 0.264 4.610 4.340 0.010 0.000 0.248 542 Q C -1.984 174.052 176.000 0.059 0.000 0.992 542 Q CA -1.556 54.270 55.803 0.038 0.000 0.888 542 Q CB -0.963 27.791 28.738 0.025 0.000 1.257 542 Q HN 0.347 nan 8.270 nan 0.000 0.462 543 P HA -0.017 nan 4.420 nan 0.000 0.266 543 P C -0.638 176.697 177.300 0.059 0.000 1.195 543 P CA 0.171 63.368 63.100 0.162 0.000 0.768 543 P CB 0.440 32.261 31.700 0.201 0.000 0.838 544 D N 3.269 123.662 120.400 -0.011 0.000 2.438 544 D HA 0.188 4.833 4.640 0.010 0.000 0.257 544 D C -1.918 173.944 176.300 -0.730 0.000 1.148 544 D CA -2.250 51.611 54.000 -0.232 0.000 0.902 544 D CB 0.747 41.457 40.800 -0.150 0.000 1.062 544 D HN 0.151 nan 8.370 nan 0.000 0.518 545 P HA 0.053 nan 4.420 nan 0.000 0.255 545 P C 0.839 177.813 177.300 -0.543 0.000 1.301 545 P CA 0.065 62.681 63.100 -0.806 0.000 0.817 545 P CB 0.287 31.844 31.700 -0.239 0.000 1.259 546 T N -1.226 113.036 114.554 -0.486 0.000 2.833 546 T HA -0.120 4.236 4.350 0.010 0.000 0.269 546 T C 0.751 175.109 174.700 -0.571 0.000 1.054 546 T CA 1.555 63.370 62.100 -0.474 0.000 1.135 546 T CB -0.572 67.996 68.868 -0.501 0.000 0.869 546 T HN 0.264 nan 8.240 nan 0.000 0.466 547 Y N -0.956 119.241 120.300 -0.171 0.000 2.641 547 Y HA 0.365 4.921 4.550 0.010 0.000 0.248 547 Y C 0.118 176.168 175.900 0.250 0.000 1.170 547 Y CA -1.389 56.742 58.100 0.051 0.000 1.201 547 Y CB 0.132 38.655 38.460 0.105 0.000 1.232 547 Y HN 0.226 nan 8.280 nan 0.000 0.537 548 Y N 1.627 122.030 120.300 0.172 0.000 2.425 548 Y HA 0.309 4.865 4.550 0.010 0.000 0.331 548 Y C 0.504 176.517 175.900 0.190 0.000 1.157 548 Y CA -0.308 57.867 58.100 0.125 0.000 1.372 548 Y CB 0.370 38.862 38.460 0.053 0.000 1.253 548 Y HN 0.278 nan 8.280 nan 0.000 0.536 549 H N -1.288 117.916 119.070 0.223 0.000 3.003 549 H HA 0.359 4.921 4.556 0.010 0.000 0.327 549 H C -1.733 173.660 175.328 0.108 0.000 1.353 549 H CA -1.231 54.903 56.048 0.142 0.000 1.142 549 H CB 0.725 30.564 29.762 0.128 0.000 1.864 549 H HN 0.532 nan 8.280 nan 0.000 0.529 550 N N 0.067 118.850 118.700 0.138 0.000 2.187 550 N HA 0.098 4.843 4.740 0.010 0.000 0.212 550 N C -0.623 174.964 175.510 0.128 0.000 1.152 550 N CA -0.544 52.543 53.050 0.062 0.000 0.872 550 N CB 0.300 38.825 38.487 0.064 0.000 1.025 550 N HN 0.384 nan 8.380 nan 0.000 0.514 551 N N 0.964 119.857 118.700 0.323 0.000 2.479 551 N HA 0.131 4.877 4.740 0.010 0.000 0.257 551 N C -0.584 175.045 175.510 0.198 0.000 1.232 551 N CA 0.314 53.526 53.050 0.270 0.000 0.920 551 N CB 1.224 39.895 38.487 0.307 0.000 1.105 551 N HN -0.162 nan 8.380 nan 0.000 0.444 552 V N 0.181 120.171 119.914 0.127 0.000 2.789 552 V HA 0.487 4.612 4.120 0.010 0.000 0.311 552 V C 0.372 176.525 176.094 0.098 0.000 1.073 552 V CA -0.738 61.620 62.300 0.096 0.000 0.921 552 V CB 2.148 33.998 31.823 0.045 0.000 1.009 552 V HN 0.681 nan 8.190 nan 0.000 0.426 553 T N 2.741 117.374 114.554 0.131 0.000 2.940 553 T HA 0.508 4.864 4.350 0.010 0.000 0.288 553 T C -0.473 174.308 174.700 0.135 0.000 1.045 553 T CA -0.670 61.524 62.100 0.157 0.000 1.018 553 T CB 1.566 70.620 68.868 0.308 0.000 1.151 553 T HN 0.718 nan 8.240 nan 0.000 0.529 554 R N 0.768 121.345 120.500 0.129 0.000 2.357 554 R HA 0.472 4.818 4.340 0.010 0.000 0.296 554 R C 0.813 177.193 176.300 0.134 0.000 1.052 554 R CA 0.851 57.011 56.100 0.100 0.000 0.988 554 R CB 0.306 30.646 30.300 0.066 0.000 1.025 554 R HN 1.050 nan 8.270 nan 0.000 0.469 555 G N 2.730 111.596 108.800 0.111 0.000 2.198 555 G HA2 -0.263 3.703 3.960 0.010 0.000 0.257 555 G HA3 -0.263 3.703 3.960 0.010 0.000 0.257 555 G C 0.362 175.378 174.900 0.194 0.000 1.042 555 G CA 0.421 45.601 45.100 0.133 0.000 0.791 555 G HN 0.686 nan 8.290 nan 0.000 0.502 556 V N -2.762 117.258 119.914 0.177 0.000 3.647 556 V HA 0.601 4.727 4.120 0.010 0.000 0.279 556 V C 1.218 177.375 176.094 0.106 0.000 1.314 556 V CA 1.040 63.477 62.300 0.229 0.000 1.125 556 V CB 0.621 32.560 31.823 0.193 0.000 0.907 556 V HN 0.822 nan 8.190 nan 0.000 0.434 557 S N -0.679 115.059 115.700 0.064 0.000 2.646 557 S HA 0.651 5.127 4.470 0.010 0.000 0.276 557 S C 0.596 175.244 174.600 0.081 0.000 1.222 557 S CA -0.406 57.816 58.200 0.038 0.000 1.014 557 S CB 1.563 64.769 63.200 0.011 0.000 0.991 557 S HN 0.341 nan 8.310 nan 0.000 0.533 558 I N 0.820 121.435 120.570 0.076 0.000 3.570 558 I HA 0.160 4.335 4.170 0.010 0.000 0.270 558 I C 0.830 176.871 176.117 -0.126 0.000 1.162 558 I CA 0.289 61.555 61.300 -0.057 0.000 1.413 558 I CB -0.143 37.743 38.000 -0.189 0.000 1.437 558 I HN 0.575 nan 8.210 nan 0.000 0.457 559 F N 1.403 121.380 119.950 0.045 0.000 2.748 559 F HA -0.024 4.508 4.527 0.010 0.000 0.299 559 F C 2.034 177.848 175.800 0.022 0.000 1.154 559 F CA 0.608 58.639 58.000 0.052 0.000 1.446 559 F CB -0.556 38.499 39.000 0.093 0.000 1.112 559 F HN 0.128 nan 8.300 nan 0.000 0.584 560 N N 0.031 118.817 118.700 0.144 0.000 2.354 560 N HA -0.100 4.646 4.740 0.010 0.000 0.179 560 N C 0.338 175.877 175.510 0.047 0.000 1.021 560 N CA 0.662 53.759 53.050 0.078 0.000 0.887 560 N CB 0.091 38.606 38.487 0.047 0.000 0.974 560 N HN 0.062 nan 8.380 nan 0.000 0.437 561 E N 0.264 120.482 120.200 0.030 0.000 2.231 561 E HA 0.157 4.513 4.350 0.010 0.000 0.277 561 E C -0.387 176.213 176.600 -0.001 0.000 0.999 561 E CA -0.328 56.080 56.400 0.013 0.000 0.827 561 E CB 1.590 31.295 29.700 0.007 0.000 1.101 561 E HN 0.298 nan 8.360 nan 0.000 0.393 562 S N 1.981 117.684 115.700 0.004 0.000 2.610 562 S HA 0.349 4.825 4.470 0.010 0.000 0.273 562 S C 0.153 174.748 174.600 -0.009 0.000 1.274 562 S CA -0.870 57.332 58.200 0.003 0.000 1.023 562 S CB 0.662 63.871 63.200 0.015 0.000 0.962 562 S HN 0.243 nan 8.310 nan 0.000 0.523 563 L N 3.056 124.272 121.223 -0.011 0.000 2.426 563 L HA 0.322 4.668 4.340 0.010 0.000 0.271 563 L C -0.932 175.937 176.870 -0.003 0.000 1.169 563 L CA -1.482 53.344 54.840 -0.023 0.000 0.836 563 L CB -0.129 41.912 42.059 -0.030 0.000 1.112 563 L HN 0.578 nan 8.230 nan 0.000 0.465 564 P HA -0.023 nan 4.420 nan 0.000 0.225 564 P C 0.306 177.604 177.300 -0.003 0.000 1.156 564 P CA 0.627 63.723 63.100 -0.006 0.000 0.787 564 P CB 0.519 32.209 31.700 -0.016 0.000 0.802 565 T N -0.550 114.003 114.554 -0.003 0.000 2.894 565 T HA 0.518 4.874 4.350 0.010 0.000 0.309 565 T C 0.216 174.933 174.700 0.029 0.000 1.208 565 T CA -0.778 61.325 62.100 0.005 0.000 1.016 565 T CB 1.026 69.885 68.868 -0.014 0.000 1.192 565 T HN -0.039 nan 8.240 nan 0.000 0.491 566 I N 1.156 121.751 120.570 0.041 0.000 3.974 566 I HA 0.691 4.866 4.170 0.010 0.000 0.334 566 I C 0.853 177.008 176.117 0.064 0.000 1.437 566 I CA -0.812 60.530 61.300 0.070 0.000 1.113 566 I CB -0.079 37.967 38.000 0.076 0.000 1.063 566 I HN 0.536 nan 8.210 nan 0.000 0.400 567 A N 1.884 124.726 122.820 0.037 0.000 2.498 567 A HA 0.344 4.670 4.320 0.010 0.000 0.239 567 A C 1.555 179.164 177.584 0.041 0.000 1.068 567 A CA 1.000 53.053 52.037 0.027 0.000 0.766 567 A CB -0.257 18.743 19.000 -0.001 0.000 1.003 567 A HN 1.078 nan 8.150 nan 0.000 0.497 568 T N -0.665 113.916 114.554 0.045 0.000 7.013 568 T HA -0.203 4.153 4.350 0.010 0.000 0.288 568 T C 0.105 174.861 174.700 0.095 0.000 2.146 568 T CA 1.322 63.454 62.100 0.054 0.000 3.498 568 T CB -2.551 66.333 68.868 0.027 0.000 1.517 568 T HN 0.870 nan 8.240 nan 0.000 1.113 569 L N 1.495 122.789 121.223 0.118 0.000 2.456 569 L HA 0.428 4.773 4.340 0.010 0.000 0.272 569 L C 1.178 178.147 176.870 0.164 0.000 1.189 569 L CA -0.275 54.665 54.840 0.167 0.000 0.846 569 L CB 0.337 42.509 42.059 0.189 0.000 1.111 569 L HN 0.281 nan 8.230 nan 0.000 0.475 570 R N 2.290 122.917 120.500 0.212 0.000 2.346 570 R HA 0.574 4.920 4.340 0.010 0.000 0.311 570 R C -1.179 175.278 176.300 0.263 0.000 0.983 570 R CA -0.642 55.611 56.100 0.254 0.000 0.880 570 R CB 1.763 32.257 30.300 0.323 0.000 1.100 570 R HN 0.298 nan 8.270 nan 0.000 0.453 571 V N 1.826 121.839 119.914 0.165 0.000 2.483 571 V HA 0.456 4.581 4.120 0.010 0.000 0.297 571 V C 0.259 176.173 176.094 -0.299 0.000 1.027 571 V CA -0.932 61.367 62.300 -0.001 0.000 0.855 571 V CB 1.983 33.802 31.823 -0.008 0.000 0.995 571 V HN 0.960 nan 8.190 nan 0.000 0.424 572 G N 3.386 111.752 108.800 -0.723 0.000 2.329 572 G HA2 0.521 4.486 3.960 0.010 0.000 0.309 572 G HA3 0.521 4.486 3.960 0.010 0.000 0.309 572 G C -0.636 173.932 174.900 -0.553 0.000 1.110 572 G CA -0.327 43.988 45.100 -1.309 0.000 0.923 572 G HN 0.546 nan 8.290 nan 0.000 0.430 573 V N 4.530 124.215 119.914 -0.381 0.000 2.320 573 V HA 0.151 4.277 4.120 0.010 0.000 0.265 573 V C -0.005 175.986 176.094 -0.172 0.000 1.048 573 V CA -0.646 61.533 62.300 -0.201 0.000 0.865 573 V CB 0.792 32.532 31.823 -0.139 0.000 1.043 573 V HN 0.517 nan 8.190 nan 0.000 0.474 574 L N 5.220 126.393 121.223 -0.083 0.000 2.385 574 L HA 0.378 4.724 4.340 0.010 0.000 0.281 574 L C 0.558 177.470 176.870 0.070 0.000 1.106 574 L CA 1.248 56.100 54.840 0.021 0.000 0.856 574 L CB 0.825 43.011 42.059 0.210 0.000 1.186 574 L HN 0.711 nan 8.230 nan 0.000 0.453 575 S N 1.778 117.491 115.700 0.021 0.000 2.810 575 S HA 0.820 5.296 4.470 0.010 0.000 0.315 575 S C -0.551 174.108 174.600 0.098 0.000 1.138 575 S CA -0.394 57.829 58.200 0.038 0.000 0.889 575 S CB 1.869 65.047 63.200 -0.037 0.000 1.236 575 S HN 0.600 nan 8.310 nan 0.000 0.548 576 T N -0.428 114.162 114.554 0.059 0.000 2.883 576 T HA 0.483 4.838 4.350 0.010 0.000 0.301 576 T C 0.478 175.177 174.700 -0.001 0.000 1.158 576 T CA 0.129 62.271 62.100 0.070 0.000 1.007 576 T CB 1.258 70.184 68.868 0.097 0.000 1.186 576 T HN 0.779 nan 8.240 nan 0.000 0.499 577 T N 0.497 115.035 114.554 -0.027 0.000 3.219 577 T HA 0.388 4.744 4.350 0.010 0.000 0.249 577 T C 0.240 174.955 174.700 0.025 0.000 1.099 577 T CA 0.019 62.071 62.100 -0.079 0.000 0.988 577 T CB -0.346 68.357 68.868 -0.276 0.000 0.999 577 T HN 0.447 nan 8.240 nan 0.000 0.550 578 K N 0.552 120.980 120.400 0.047 0.000 2.507 578 K HA 0.568 4.894 4.320 0.010 0.000 0.252 578 K C 0.393 177.018 176.600 0.042 0.000 0.943 578 K CA -0.563 55.759 56.287 0.058 0.000 0.808 578 K CB 1.763 34.308 32.500 0.075 0.000 1.142 578 K HN 0.125 nan 8.250 nan 0.000 0.426 579 G N 1.479 110.300 108.800 0.034 0.000 2.138 579 G HA2 -0.117 3.849 3.960 0.010 0.000 0.193 579 G HA3 -0.117 3.849 3.960 0.010 0.000 0.193 579 G C 0.581 175.492 174.900 0.018 0.000 0.998 579 G CA 0.014 45.130 45.100 0.026 0.000 0.668 579 G HN 1.102 nan 8.290 nan 0.000 0.516 580 G N -0.649 108.160 108.800 0.016 0.000 2.221 580 G HA2 -0.051 3.915 3.960 0.010 0.000 0.265 580 G HA3 -0.051 3.915 3.960 0.010 0.000 0.265 580 G C 1.254 176.156 174.900 0.004 0.000 1.041 580 G CA 1.618 46.723 45.100 0.008 0.000 0.807 580 G HN 1.921 nan 8.290 nan 0.000 0.502 581 S N -1.204 114.499 115.700 0.005 0.000 2.436 581 S HA 0.166 4.642 4.470 0.010 0.000 0.228 581 S C 2.485 177.079 174.600 -0.010 0.000 1.014 581 S CA 1.253 59.455 58.200 0.002 0.000 0.950 581 S CB -0.124 63.085 63.200 0.015 0.000 0.784 581 S HN 0.522 nan 8.310 nan 0.000 0.504 582 L N 0.965 122.177 121.223 -0.018 0.000 2.093 582 L HA -0.072 4.274 4.340 0.010 0.000 0.208 582 L C 2.102 178.957 176.870 -0.024 0.000 1.085 582 L CA 1.303 56.124 54.840 -0.032 0.000 0.755 582 L CB -0.544 41.489 42.059 -0.045 0.000 0.904 582 L HN 0.227 nan 8.230 nan 0.000 0.435 583 D N 0.153 120.544 120.400 -0.015 0.000 2.117 583 D HA -0.165 4.480 4.640 0.010 0.000 0.197 583 D C 2.176 178.469 176.300 -0.012 0.000 0.987 583 D CA 1.169 55.163 54.000 -0.011 0.000 0.829 583 D CB -0.001 40.796 40.800 -0.005 0.000 0.961 583 D HN 0.211 nan 8.370 nan 0.000 0.460 584 K N 0.215 120.608 120.400 -0.012 0.000 2.155 584 K HA 0.091 4.417 4.320 0.010 0.000 0.203 584 K C 2.025 178.614 176.600 -0.018 0.000 1.052 584 K CA 0.899 57.178 56.287 -0.013 0.000 0.948 584 K CB 0.044 32.538 32.500 -0.011 0.000 0.728 584 K HN 0.036 nan 8.250 nan 0.000 0.448 585 A N 1.764 124.570 122.820 -0.022 0.000 1.968 585 A HA -0.150 4.176 4.320 0.010 0.000 0.217 585 A C 2.020 179.585 177.584 -0.032 0.000 1.169 585 A CA 1.227 53.245 52.037 -0.031 0.000 0.638 585 A CB -0.226 18.750 19.000 -0.040 0.000 0.812 585 A HN 0.162 nan 8.150 nan 0.000 0.446 586 K N -0.165 120.219 120.400 -0.026 0.000 2.025 586 K HA -0.061 4.265 4.320 0.010 0.000 0.207 586 K C 2.150 178.740 176.600 -0.017 0.000 1.049 586 K CA 1.133 57.407 56.287 -0.022 0.000 0.933 586 K CB -0.290 32.199 32.500 -0.017 0.000 0.714 586 K HN 0.357 nan 8.250 nan 0.000 0.438 587 A N 1.243 124.054 122.820 -0.015 0.000 1.930 587 A HA -0.136 4.190 4.320 0.010 0.000 0.217 587 A C 1.985 179.560 177.584 -0.015 0.000 1.175 587 A CA 1.067 53.097 52.037 -0.013 0.000 0.627 587 A CB -0.493 18.500 19.000 -0.011 0.000 0.815 587 A HN 0.368 nan 8.150 nan 0.000 0.443 588 L N 0.097 121.308 121.223 -0.019 0.000 2.083 588 L HA -0.112 4.234 4.340 0.010 0.000 0.209 588 L C 2.248 179.103 176.870 -0.024 0.000 1.083 588 L CA 2.618 57.444 54.840 -0.023 0.000 0.752 588 L CB -0.605 41.437 42.059 -0.028 0.000 0.899 588 L HN 0.507 nan 8.230 nan 0.000 0.433 589 K N -0.420 119.965 120.400 -0.025 0.000 1.984 589 K HA -0.185 4.141 4.320 0.010 0.000 0.209 589 K C 1.942 178.534 176.600 -0.012 0.000 1.046 589 K CA 1.747 58.020 56.287 -0.023 0.000 0.934 589 K CB -0.261 32.224 32.500 -0.025 0.000 0.717 589 K HN 0.405 nan 8.250 nan 0.000 0.438 590 E N 0.155 120.348 120.200 -0.010 0.000 2.097 590 E HA -0.280 4.076 4.350 0.010 0.000 0.196 590 E C 2.230 178.827 176.600 -0.004 0.000 1.000 590 E CA 1.618 58.015 56.400 -0.005 0.000 0.804 590 E CB -0.032 29.665 29.700 -0.005 0.000 0.740 590 E HN 0.311 nan 8.360 nan 0.000 0.454 591 Q N 0.527 120.322 119.800 -0.007 0.000 2.123 591 Q HA -0.112 4.233 4.340 0.010 0.000 0.199 591 Q C 1.956 177.952 176.000 -0.006 0.000 0.966 591 Q CA 0.849 56.648 55.803 -0.007 0.000 0.845 591 Q CB -0.090 28.643 28.738 -0.010 0.000 0.907 591 Q HN 0.207 nan 8.270 nan 0.000 0.439 592 L N 0.471 121.689 121.223 -0.008 0.000 2.156 592 L HA -0.039 4.306 4.340 0.010 0.000 0.208 592 L C 1.612 178.484 176.870 0.003 0.000 1.095 592 L CA 1.726 56.562 54.840 -0.006 0.000 0.770 592 L CB -0.230 41.822 42.059 -0.011 0.000 0.914 592 L HN 0.243 nan 8.230 nan 0.000 0.439 593 E N -0.540 119.663 120.200 0.004 0.000 2.347 593 E HA -0.237 4.119 4.350 0.010 0.000 0.196 593 E C 1.888 178.493 176.600 0.009 0.000 1.008 593 E CA 0.693 57.099 56.400 0.010 0.000 0.852 593 E CB -0.013 29.693 29.700 0.010 0.000 0.783 593 E HN 0.510 nan 8.360 nan 0.000 0.505 594 K N 1.233 121.636 120.400 0.005 0.000 2.280 594 K HA -0.163 4.163 4.320 0.010 0.000 0.202 594 K C 1.383 177.987 176.600 0.005 0.000 1.047 594 K CA 1.306 57.595 56.287 0.004 0.000 0.942 594 K CB 0.170 32.671 32.500 0.002 0.000 0.739 594 K HN -0.100 nan 8.250 nan 0.000 0.457 595 D N -0.313 120.092 120.400 0.007 0.000 2.358 595 D HA 0.067 4.712 4.640 0.010 0.000 0.224 595 D C 0.337 176.645 176.300 0.014 0.000 1.123 595 D CA 0.688 54.693 54.000 0.009 0.000 0.833 595 D CB 0.443 41.248 40.800 0.008 0.000 0.946 595 D HN 0.550 nan 8.370 nan 0.000 0.505 596 G N 0.912 109.721 108.800 0.015 0.000 2.157 596 G HA2 -0.251 3.715 3.960 0.010 0.000 0.248 596 G HA3 -0.251 3.715 3.960 0.010 0.000 0.248 596 G C 0.334 175.252 174.900 0.030 0.000 0.979 596 G CA 0.047 45.158 45.100 0.019 0.000 0.650 596 G HN 0.326 nan 8.290 nan 0.000 0.529 597 L N 0.109 121.352 121.223 0.034 0.000 2.399 597 L HA 0.505 4.851 4.340 0.010 0.000 0.266 597 L C 0.877 177.777 176.870 0.050 0.000 1.114 597 L CA -0.625 54.244 54.840 0.049 0.000 0.804 597 L CB 1.191 43.278 42.059 0.047 0.000 1.146 597 L HN 0.072 nan 8.230 nan 0.000 0.451 598 K N 2.116 122.559 120.400 0.071 0.000 2.281 598 K HA 0.454 4.780 4.320 0.010 0.000 0.272 598 K C -1.341 175.310 176.600 0.086 0.000 1.048 598 K CA -0.463 55.870 56.287 0.078 0.000 0.898 598 K CB 1.080 33.637 32.500 0.095 0.000 1.128 598 K HN 0.345 nan 8.250 nan 0.000 0.460 599 V N 3.124 123.070 119.914 0.052 0.000 2.547 599 V HA 0.363 4.489 4.120 0.010 0.000 0.299 599 V C -0.217 175.889 176.094 0.020 0.000 1.040 599 V CA -0.662 61.647 62.300 0.016 0.000 0.913 599 V CB 1.841 33.656 31.823 -0.013 0.000 0.992 599 V HN 0.764 nan 8.190 nan 0.000 0.449 600 T N 3.326 117.864 114.554 -0.026 0.000 2.892 600 T HA 0.373 4.728 4.350 0.010 0.000 0.311 600 T C -0.386 174.238 174.700 -0.127 0.000 1.033 600 T CA -0.349 61.746 62.100 -0.007 0.000 0.991 600 T CB 1.284 70.266 68.868 0.189 0.000 0.981 600 T HN 0.340 nan 8.240 nan 0.000 0.457 601 V N 5.440 125.294 119.914 -0.099 0.000 2.470 601 V HA 0.258 4.384 4.120 0.010 0.000 0.276 601 V C 0.225 176.210 176.094 -0.181 0.000 1.040 601 V CA -0.558 61.660 62.300 -0.137 0.000 1.008 601 V CB 0.169 31.932 31.823 -0.099 0.000 0.990 601 V HN 0.679 nan 8.190 nan 0.000 0.477 602 I N 4.569 124.974 120.570 -0.275 0.000 2.359 602 I HA 0.787 4.963 4.170 0.010 0.000 0.294 602 I C 0.397 176.176 176.117 -0.564 0.000 0.987 602 I CA -0.061 60.956 61.300 -0.472 0.000 1.225 602 I CB 1.051 38.653 38.000 -0.663 0.000 1.366 602 I HN 0.730 nan 8.210 nan 0.000 0.466 603 A N 4.951 127.444 122.820 -0.546 0.000 2.552 603 A HA 0.654 4.980 4.320 0.010 0.000 0.288 603 A C 0.505 178.030 177.584 -0.099 0.000 1.193 603 A CA -0.375 51.483 52.037 -0.298 0.000 0.713 603 A CB 0.948 19.805 19.000 -0.238 0.000 1.305 603 A HN 0.582 nan 8.150 nan 0.000 0.424 604 E N -0.956 119.329 120.200 0.142 0.000 2.106 604 E HA 0.064 4.420 4.350 0.010 0.000 0.192 604 E C -0.048 176.752 176.600 0.334 0.000 0.984 604 E CA 2.241 58.867 56.400 0.377 0.000 0.806 604 E CB -0.197 29.774 29.700 0.451 0.000 0.750 604 E HN 0.593 nan 8.360 nan 0.000 0.458 605 Y N -3.437 116.937 120.300 0.124 0.000 2.677 605 Y HA 0.512 5.068 4.550 0.010 0.000 0.334 605 Y C -0.789 175.136 175.900 0.042 0.000 1.154 605 Y CA -1.642 56.507 58.100 0.081 0.000 1.070 605 Y CB 0.459 38.964 38.460 0.076 0.000 1.294 605 Y HN -0.325 nan 8.280 nan 0.000 0.475 606 L N 2.805 124.159 121.223 0.217 0.000 2.376 606 L HA 0.458 4.803 4.340 0.010 0.000 0.250 606 L C 0.625 177.566 176.870 0.119 0.000 1.335 606 L CA 0.241 55.141 54.840 0.100 0.000 1.214 606 L CB -1.430 40.690 42.059 0.102 0.000 1.395 606 L HN 0.800 nan 8.230 nan 0.000 0.424 607 A N 0.893 123.676 122.820 -0.062 0.000 2.267 607 A HA 0.543 4.869 4.320 0.010 0.000 0.271 607 A C 0.610 178.188 177.584 -0.009 0.000 1.131 607 A CA -0.267 51.754 52.037 -0.026 0.000 0.818 607 A CB 0.229 19.091 19.000 -0.231 0.000 1.118 607 A HN 0.580 nan 8.150 nan 0.000 0.501 608 S N -0.559 115.148 115.700 0.013 0.000 2.481 608 S HA 0.442 4.918 4.470 0.010 0.000 0.282 608 S C 0.984 175.575 174.600 -0.015 0.000 1.243 608 S CA 0.183 58.388 58.200 0.008 0.000 1.078 608 S CB 0.076 63.287 63.200 0.019 0.000 0.916 608 S HN 2.522 nan 8.310 nan 0.000 0.495 609 G N 1.740 110.531 108.800 -0.016 0.000 2.179 609 G HA2 -0.219 3.747 3.960 0.010 0.000 0.220 609 G HA3 -0.219 3.747 3.960 0.010 0.000 0.220 609 G C -0.044 174.830 174.900 -0.042 0.000 0.990 609 G CA -0.191 44.894 45.100 -0.025 0.000 0.646 609 G HN 1.115 nan 8.290 nan 0.000 0.517 610 V N 1.676 121.559 119.914 -0.053 0.000 2.465 610 V HA 0.423 4.549 4.120 0.010 0.000 0.279 610 V C 0.768 176.837 176.094 -0.042 0.000 1.045 610 V CA 0.073 62.328 62.300 -0.074 0.000 0.938 610 V CB 1.658 33.412 31.823 -0.114 0.000 0.986 610 V HN 0.218 nan 8.190 nan 0.000 0.467 611 D N 2.322 122.696 120.400 -0.043 0.000 2.338 611 D HA 0.090 4.736 4.640 0.010 0.000 0.208 611 D C 0.622 176.922 176.300 0.000 0.000 0.997 611 D CA 0.649 54.644 54.000 -0.009 0.000 0.880 611 D CB 1.030 41.834 40.800 0.007 0.000 0.980 611 D HN 0.631 nan 8.370 nan 0.000 0.509 612 Q N 0.380 120.162 119.800 -0.028 0.000 2.391 612 Q HA 0.257 4.603 4.340 0.010 0.000 0.279 612 Q C -1.121 174.833 176.000 -0.076 0.000 1.028 612 Q CA -0.522 55.271 55.803 -0.017 0.000 0.836 612 Q CB 2.117 30.874 28.738 0.031 0.000 1.414 612 Q HN 0.064 nan 8.270 nan 0.000 0.397 613 T N -0.755 113.782 114.554 -0.028 0.000 2.882 613 T HA 0.247 4.603 4.350 0.010 0.000 0.287 613 T C 0.701 175.369 174.700 -0.053 0.000 1.014 613 T CA -0.206 61.883 62.100 -0.017 0.000 1.049 613 T CB 0.405 69.327 68.868 0.091 0.000 1.001 613 T HN 0.611 nan 8.240 nan 0.000 0.525 614 Y N 0.364 120.650 120.300 -0.025 0.000 2.274 614 Y HA -0.090 4.466 4.550 0.010 0.000 0.290 614 Y C 3.222 179.116 175.900 -0.009 0.000 1.145 614 Y CA 1.525 59.549 58.100 -0.126 0.000 1.203 614 Y CB -0.199 37.962 38.460 -0.498 0.000 0.984 614 Y HN 0.758 nan 8.280 nan 0.000 0.533 615 S N -0.313 115.536 115.700 0.247 0.000 2.399 615 S HA -0.174 4.302 4.470 0.010 0.000 0.231 615 S C 1.978 176.651 174.600 0.120 0.000 1.022 615 S CA 1.084 59.404 58.200 0.200 0.000 0.983 615 S CB -0.336 62.978 63.200 0.191 0.000 0.803 615 S HN 0.426 nan 8.310 nan 0.000 0.480 616 A N -0.035 122.841 122.820 0.093 0.000 2.275 616 A HA 0.723 5.049 4.320 0.010 0.000 0.212 616 A C 0.798 178.412 177.584 0.050 0.000 1.201 616 A CA 0.382 52.455 52.037 0.059 0.000 0.843 616 A CB -0.305 18.724 19.000 0.048 0.000 0.873 616 A HN 0.594 nan 8.150 nan 0.000 0.492 617 A N -0.240 122.623 122.820 0.071 0.000 2.304 617 A HA 0.610 4.935 4.320 0.010 0.000 0.301 617 A C -0.649 176.991 177.584 0.093 0.000 1.132 617 A CA -0.249 51.846 52.037 0.097 0.000 0.819 617 A CB 0.565 19.630 19.000 0.110 0.000 1.094 617 A HN 0.296 nan 8.150 nan 0.000 0.492 618 D N -0.687 119.759 120.400 0.077 0.000 2.717 618 D HA 0.531 5.176 4.640 0.010 0.000 0.223 618 D C 0.592 176.951 176.300 0.098 0.000 1.240 618 D CA 0.205 54.249 54.000 0.073 0.000 0.801 618 D CB 1.596 42.409 40.800 0.021 0.000 1.556 618 D HN 0.497 nan 8.370 nan 0.000 0.462 619 A N 1.109 124.045 122.820 0.194 0.000 1.972 619 A HA -0.094 4.232 4.320 0.010 0.000 0.219 619 A C 1.921 179.685 177.584 0.300 0.000 1.169 619 A CA 2.337 54.551 52.037 0.296 0.000 0.635 619 A CB -1.072 18.023 19.000 0.159 0.000 0.810 619 A HN 0.724 nan 8.150 nan 0.000 0.446 620 T N -2.284 112.408 114.554 0.230 0.000 2.881 620 T HA 0.066 4.422 4.350 0.010 0.000 0.270 620 T C 1.637 176.196 174.700 -0.235 0.000 1.068 620 T CA 1.383 63.444 62.100 -0.064 0.000 1.131 620 T CB -0.422 68.277 68.868 -0.282 0.000 0.871 620 T HN 0.580 nan 8.240 nan 0.000 0.479 621 A N 0.108 122.734 122.820 -0.323 0.000 2.238 621 A HA 0.495 4.821 4.320 0.010 0.000 0.208 621 A C 0.100 177.384 177.584 -0.500 0.000 1.177 621 A CA -0.178 51.602 52.037 -0.428 0.000 0.804 621 A CB -0.450 18.150 19.000 -0.667 0.000 0.823 621 A HN 0.492 nan 8.150 nan 0.000 0.482 622 F N -1.503 118.535 119.950 0.147 0.000 2.577 622 F HA 0.420 4.953 4.527 0.010 0.000 0.318 622 F C 0.406 176.281 175.800 0.124 0.000 1.065 622 F CA -1.544 56.537 58.000 0.134 0.000 0.929 622 F CB 1.313 40.373 39.000 0.099 0.000 1.237 622 F HN -0.055 nan 8.300 nan 0.000 0.468 623 D N 0.724 121.312 120.400 0.314 0.000 2.271 623 D HA 0.255 4.901 4.640 0.010 0.000 0.206 623 D C 0.371 176.736 176.300 0.108 0.000 0.967 623 D CA 0.788 54.874 54.000 0.144 0.000 0.867 623 D CB 0.443 41.351 40.800 0.180 0.000 0.960 623 D HN 0.427 nan 8.370 nan 0.000 0.509 624 A N 0.170 123.089 122.820 0.164 0.000 2.498 624 A HA 0.611 4.937 4.320 0.010 0.000 0.298 624 A C -1.142 176.491 177.584 0.082 0.000 1.075 624 A CA -0.546 51.564 52.037 0.122 0.000 0.714 624 A CB 2.124 21.186 19.000 0.103 0.000 1.299 624 A HN -0.106 nan 8.150 nan 0.000 0.407 625 V N 1.731 121.685 119.914 0.068 0.000 2.409 625 V HA 0.539 4.665 4.120 0.010 0.000 0.290 625 V C -0.599 175.503 176.094 0.013 0.000 1.017 625 V CA -0.564 61.745 62.300 0.014 0.000 0.841 625 V CB 1.182 33.047 31.823 0.070 0.000 1.003 625 V HN 0.872 nan 8.190 nan 0.000 0.426 626 V N 6.589 126.485 119.914 -0.030 0.000 2.555 626 V HA 0.625 4.751 4.120 0.010 0.000 0.302 626 V C -0.421 175.666 176.094 -0.012 0.000 1.038 626 V CA -0.326 61.966 62.300 -0.014 0.000 0.887 626 V CB 2.293 34.103 31.823 -0.022 0.000 0.991 626 V HN 0.603 nan 8.190 nan 0.000 0.434 627 V N 7.419 127.329 119.914 -0.006 0.000 2.383 627 V HA 0.637 4.763 4.120 0.010 0.000 0.275 627 V C 0.849 176.937 176.094 -0.011 0.000 1.036 627 V CA 0.016 62.321 62.300 0.009 0.000 0.889 627 V CB 0.964 32.745 31.823 -0.071 0.000 0.985 627 V HN 1.125 nan 8.190 nan 0.000 0.459 628 A N 3.867 126.692 122.820 0.009 0.000 2.346 628 A HA 0.372 4.697 4.320 0.010 0.000 0.252 628 A C 0.372 177.953 177.584 -0.004 0.000 1.089 628 A CA -0.279 51.756 52.037 -0.004 0.000 0.797 628 A CB 0.120 19.117 19.000 -0.005 0.000 1.047 628 A HN 0.908 nan 8.150 nan 0.000 0.494 629 E N -0.191 120.003 120.200 -0.010 0.000 2.351 629 E HA 0.390 4.745 4.350 0.010 0.000 0.266 629 E C 1.077 177.677 176.600 -0.000 0.000 1.031 629 E CA 1.277 57.670 56.400 -0.012 0.000 0.911 629 E CB -0.107 29.585 29.700 -0.013 0.000 0.986 629 E HN 1.472 nan 8.360 nan 0.000 0.446 630 G N 3.010 111.809 108.800 -0.002 0.000 2.157 630 G HA2 -0.315 3.651 3.960 0.010 0.000 0.248 630 G HA3 -0.315 3.651 3.960 0.010 0.000 0.248 630 G C 0.728 175.651 174.900 0.040 0.000 0.979 630 G CA 0.298 45.406 45.100 0.013 0.000 0.650 630 G HN 0.770 nan 8.290 nan 0.000 0.529 631 A N 0.539 123.391 122.820 0.053 0.000 2.251 631 A HA 0.414 4.740 4.320 0.010 0.000 0.209 631 A C 1.977 179.682 177.584 0.202 0.000 1.187 631 A CA 1.469 53.584 52.037 0.131 0.000 0.823 631 A CB -0.200 18.899 19.000 0.165 0.000 0.846 631 A HN 0.763 nan 8.150 nan 0.000 0.486 632 E N 1.658 121.901 120.200 0.072 0.000 2.338 632 E HA -0.257 4.099 4.350 0.010 0.000 0.197 632 E C 1.695 178.390 176.600 0.158 0.000 1.007 632 E CA 1.078 57.501 56.400 0.039 0.000 0.849 632 E CB -0.570 29.079 29.700 -0.085 0.000 0.774 632 E HN 0.832 nan 8.360 nan 0.000 0.506 633 R N 1.679 122.255 120.500 0.126 0.000 2.120 633 R HA -0.080 4.266 4.340 0.010 0.000 0.234 633 R C 2.271 178.640 176.300 0.114 0.000 1.123 633 R CA 1.643 57.803 56.100 0.101 0.000 0.975 633 R CB -1.032 29.312 30.300 0.074 0.000 0.866 633 R HN 0.196 nan 8.270 nan 0.000 0.446 634 V N -2.703 117.291 119.914 0.134 0.000 3.623 634 V HA 0.167 4.293 4.120 0.010 0.000 0.271 634 V C 0.851 176.868 176.094 -0.129 0.000 1.248 634 V CA 0.422 62.716 62.300 -0.011 0.000 1.156 634 V CB -0.712 31.001 31.823 -0.184 0.000 0.870 634 V HN 0.104 nan 8.190 nan 0.000 0.453 635 F N 2.069 121.980 119.950 -0.065 0.000 2.749 635 F HA 0.427 4.960 4.527 0.010 0.000 0.300 635 F C 1.082 176.856 175.800 -0.044 0.000 1.103 635 F CA 0.422 58.381 58.000 -0.068 0.000 1.342 635 F CB 0.330 39.288 39.000 -0.069 0.000 1.098 635 F HN 0.443 nan 8.300 nan 0.000 0.586 636 S N -1.675 114.092 115.700 0.111 0.000 2.542 636 S HA 0.658 5.133 4.470 0.010 0.000 0.276 636 S C -0.072 174.551 174.600 0.038 0.000 1.148 636 S CA -0.576 57.660 58.200 0.061 0.000 0.886 636 S CB 1.330 64.565 63.200 0.059 0.000 1.109 636 S HN 0.664 nan 8.310 nan 0.000 0.458 637 G N 3.741 112.553 108.800 0.019 0.000 2.536 637 G HA2 -0.339 3.627 3.960 0.010 0.000 0.280 637 G HA3 -0.339 3.627 3.960 0.010 0.000 0.280 637 G C 0.624 175.528 174.900 0.006 0.000 1.152 637 G CA 0.402 45.508 45.100 0.010 0.000 0.970 637 G HN 0.992 nan 8.290 nan 0.000 0.549 638 K N 1.036 121.441 120.400 0.009 0.000 2.057 638 K HA 0.031 4.357 4.320 0.010 0.000 0.206 638 K C 2.723 179.331 176.600 0.013 0.000 1.050 638 K CA 1.678 57.968 56.287 0.004 0.000 0.935 638 K CB -0.605 31.902 32.500 0.012 0.000 0.715 638 K HN 0.721 nan 8.250 nan 0.000 0.439 639 G N 1.513 110.335 108.800 0.036 0.000 2.422 639 G HA2 -0.168 3.798 3.960 0.010 0.000 0.218 639 G HA3 -0.168 3.798 3.960 0.010 0.000 0.218 639 G C 1.680 176.639 174.900 0.097 0.000 1.140 639 G CA 0.736 45.876 45.100 0.066 0.000 0.775 639 G HN 0.377 nan 8.290 nan 0.000 0.545 640 A N -0.120 122.735 122.820 0.058 0.000 2.066 640 A HA 0.382 4.708 4.320 0.010 0.000 0.218 640 A C 1.384 179.002 177.584 0.057 0.000 1.157 640 A CA 0.442 52.520 52.037 0.069 0.000 0.670 640 A CB -0.135 18.871 19.000 0.010 0.000 0.804 640 A HN 0.372 nan 8.150 nan 0.000 0.453 641 M N 0.545 120.119 119.600 -0.044 0.000 2.066 641 M HA 0.430 4.915 4.480 0.010 0.000 0.340 641 M C -0.475 175.667 176.300 -0.264 0.000 1.053 641 M CA 0.005 55.213 55.300 -0.154 0.000 0.983 641 M CB 1.448 33.992 32.600 -0.093 0.000 1.520 641 M HN 0.132 nan 8.290 nan 0.000 0.428 642 S N 2.811 118.182 115.700 -0.549 0.000 2.541 642 S HA 0.564 5.040 4.470 0.010 0.000 0.271 642 S C -2.274 172.015 174.600 -0.518 0.000 1.133 642 S CA -1.137 56.742 58.200 -0.535 0.000 0.876 642 S CB 1.713 64.527 63.200 -0.643 0.000 1.105 642 S HN 0.414 nan 8.310 nan 0.000 0.470 643 P HA 0.108 nan 4.420 nan 0.000 0.226 643 P C 1.012 178.221 177.300 -0.153 0.000 1.153 643 P CA 0.607 63.596 63.100 -0.185 0.000 0.777 643 P CB 0.051 31.688 31.700 -0.105 0.000 0.794 644 L N -1.915 119.207 121.223 -0.168 0.000 2.376 644 L HA 0.058 4.404 4.340 0.010 0.000 0.219 644 L C 0.673 177.638 176.870 0.158 0.000 1.133 644 L CA 0.428 55.287 54.840 0.031 0.000 0.816 644 L CB -0.430 41.739 42.059 0.183 0.000 0.933 644 L HN 0.026 nan 8.230 nan 0.000 0.449 645 F N -4.102 115.872 119.950 0.039 0.000 2.668 645 F HA 0.662 5.195 4.527 0.010 0.000 0.309 645 F C -3.005 172.792 175.800 -0.005 0.000 1.117 645 F CA -3.054 54.966 58.000 0.033 0.000 0.951 645 F CB -0.123 38.911 39.000 0.056 0.000 1.323 645 F HN -0.370 nan 8.300 nan 0.000 0.451 646 P HA 0.243 nan 4.420 nan 0.000 0.269 646 P C -0.574 176.802 177.300 0.126 0.000 1.209 646 P CA -0.092 63.069 63.100 0.102 0.000 0.776 646 P CB 0.580 32.339 31.700 0.098 0.000 0.876 647 A N 2.634 125.470 122.820 0.027 0.000 2.548 647 A HA 0.397 4.722 4.320 0.010 0.000 0.247 647 A C 1.419 179.029 177.584 0.042 0.000 1.067 647 A CA 0.622 52.667 52.037 0.014 0.000 0.757 647 A CB -1.478 17.511 19.000 -0.018 0.000 0.996 647 A HN 0.925 nan 8.150 nan 0.000 0.504 648 G N 1.979 110.810 108.800 0.051 0.000 2.198 648 G HA2 -0.287 3.679 3.960 0.010 0.000 0.257 648 G HA3 -0.287 3.679 3.960 0.010 0.000 0.257 648 G C 0.908 175.768 174.900 -0.066 0.000 1.042 648 G CA 0.900 45.989 45.100 -0.018 0.000 0.791 648 G HN 1.129 nan 8.290 nan 0.000 0.502 649 R N 0.836 121.310 120.500 -0.043 0.000 2.057 649 R HA 0.075 4.420 4.340 0.010 0.000 0.229 649 R C 0.117 176.229 176.300 -0.314 0.000 1.136 649 R CA 1.887 57.913 56.100 -0.123 0.000 0.952 649 R CB -1.182 29.095 30.300 -0.037 0.000 0.848 649 R HN 0.437 nan 8.270 nan 0.000 0.430 650 P HA -0.132 nan 4.420 nan 0.000 0.216 650 P C 1.120 177.990 177.300 -0.716 0.000 1.153 650 P CA 2.236 64.826 63.100 -0.850 0.000 0.858 650 P CB -0.227 30.620 31.700 -1.422 0.000 0.789 651 S N -1.046 114.274 115.700 -0.633 0.000 2.402 651 S HA -0.201 4.275 4.470 0.010 0.000 0.229 651 S C 2.215 176.767 174.600 -0.079 0.000 1.021 651 S CA 1.047 59.120 58.200 -0.212 0.000 0.974 651 S CB -1.165 61.993 63.200 -0.070 0.000 0.800 651 S HN 0.026 nan 8.310 nan 0.000 0.484 652 Q N 1.519 121.248 119.800 -0.118 0.000 2.119 652 Q HA 0.106 4.452 4.340 0.010 0.000 0.201 652 Q C 1.889 177.829 176.000 -0.099 0.000 0.972 652 Q CA 1.644 57.393 55.803 -0.091 0.000 0.847 652 Q CB -0.656 28.041 28.738 -0.068 0.000 0.903 652 Q HN 0.723 nan 8.270 nan 0.000 0.433 653 I N -0.299 120.233 120.570 -0.063 0.000 2.226 653 I HA -0.246 3.930 4.170 0.010 0.000 0.245 653 I C 1.979 178.094 176.117 -0.004 0.000 1.100 653 I CA 0.728 62.024 61.300 -0.007 0.000 1.374 653 I CB -0.283 37.764 38.000 0.079 0.000 1.057 653 I HN 0.274 nan 8.210 nan 0.000 0.413 654 L N 0.236 121.488 121.223 0.047 0.000 2.093 654 L HA -0.139 4.207 4.340 0.010 0.000 0.208 654 L C 2.454 179.327 176.870 0.004 0.000 1.085 654 L CA 2.016 56.907 54.840 0.085 0.000 0.755 654 L CB -0.792 41.412 42.059 0.241 0.000 0.904 654 L HN 0.140 nan 8.230 nan 0.000 0.435 655 T N -0.508 114.021 114.554 -0.041 0.000 2.674 655 T HA -0.163 4.192 4.350 0.010 0.000 0.265 655 T C 1.496 176.059 174.700 -0.228 0.000 1.039 655 T CA 1.568 63.615 62.100 -0.088 0.000 1.150 655 T CB -0.341 68.471 68.868 -0.094 0.000 0.864 655 T HN 0.355 nan 8.240 nan 0.000 0.427 656 D N 0.873 121.017 120.400 -0.426 0.000 2.104 656 D HA -0.059 4.587 4.640 0.010 0.000 0.194 656 D C 2.380 178.130 176.300 -0.916 0.000 0.994 656 D CA 1.390 54.764 54.000 -1.043 0.000 0.830 656 D CB -0.864 39.195 40.800 -1.235 0.000 0.959 656 D HN 0.469 nan 8.370 nan 0.000 0.452 657 G N -0.358 108.238 108.800 -0.340 0.000 2.446 657 G HA2 -0.325 3.641 3.960 0.010 0.000 0.217 657 G HA3 -0.325 3.641 3.960 0.010 0.000 0.217 657 G C 1.642 176.543 174.900 0.001 0.000 1.168 657 G CA 0.918 45.996 45.100 -0.037 0.000 0.771 657 G HN 0.342 nan 8.290 nan 0.000 0.551 658 Y N 1.108 121.321 120.300 -0.145 0.000 2.242 658 Y HA 0.027 4.583 4.550 0.010 0.000 0.291 658 Y C 2.930 178.731 175.900 -0.165 0.000 1.137 658 Y CA 1.726 59.746 58.100 -0.134 0.000 1.181 658 Y CB -0.088 38.284 38.460 -0.147 0.000 0.989 658 Y HN 0.121 nan 8.280 nan 0.000 0.527 659 R N -0.584 119.766 120.500 -0.251 0.000 2.115 659 R HA -0.121 4.224 4.340 0.010 0.000 0.230 659 R C 1.440 177.619 176.300 -0.201 0.000 1.111 659 R CA 1.676 57.577 56.100 -0.332 0.000 0.976 659 R CB -0.556 29.552 30.300 -0.319 0.000 0.870 659 R HN 0.436 nan 8.270 nan 0.000 0.445 660 W N -0.649 120.616 121.300 -0.059 0.000 3.256 660 W HA 0.418 5.084 4.660 0.010 0.000 0.269 660 W C 0.714 177.351 176.519 0.196 0.000 1.310 660 W CA 0.639 58.040 57.345 0.093 0.000 1.673 660 W CB -0.426 29.070 29.460 0.061 0.000 1.115 660 W HN 0.355 nan 8.180 nan 0.000 0.686 661 G N 0.990 109.902 108.800 0.188 0.000 2.140 661 G HA2 -0.260 3.705 3.960 0.010 0.000 0.211 661 G HA3 -0.260 3.705 3.960 0.010 0.000 0.211 661 G C 0.354 175.419 174.900 0.276 0.000 1.013 661 G CA -0.399 44.840 45.100 0.231 0.000 0.705 661 G HN 0.212 nan 8.290 nan 0.000 0.508 662 K N 0.453 120.961 120.400 0.181 0.000 2.154 662 K HA 0.454 4.780 4.320 0.010 0.000 0.264 662 K C -2.493 174.225 176.600 0.198 0.000 1.008 662 K CA -1.906 54.480 56.287 0.165 0.000 0.937 662 K CB 0.931 33.510 32.500 0.132 0.000 1.002 662 K HN -0.027 nan 8.250 nan 0.000 0.469 663 P HA -0.045 nan 4.420 nan 0.000 0.265 663 P C -0.704 176.706 177.300 0.184 0.000 1.222 663 P CA -0.193 63.075 63.100 0.280 0.000 0.767 663 P CB 0.359 32.302 31.700 0.405 0.000 0.801 664 V N 1.265 121.244 119.914 0.109 0.000 2.732 664 V HA 0.980 5.105 4.120 0.010 0.000 0.310 664 V C -0.293 175.864 176.094 0.104 0.000 1.053 664 V CA -1.140 61.212 62.300 0.086 0.000 0.957 664 V CB 1.613 33.470 31.823 0.056 0.000 1.018 664 V HN 0.620 nan 8.190 nan 0.000 0.452 665 A N 2.114 124.976 122.820 0.070 0.000 2.599 665 A HA 1.064 5.389 4.320 0.010 0.000 0.290 665 A C -0.562 177.018 177.584 -0.006 0.000 1.101 665 A CA -0.436 51.644 52.037 0.072 0.000 0.674 665 A CB 1.525 20.603 19.000 0.131 0.000 1.277 665 A HN 2.638 nan 8.150 nan 0.000 0.419 666 A N -0.034 122.776 122.820 -0.017 0.000 2.480 666 A HA 0.599 4.925 4.320 0.010 0.000 0.289 666 A C -1.325 176.235 177.584 -0.041 0.000 1.044 666 A CA -0.309 51.693 52.037 -0.059 0.000 0.761 666 A CB 0.943 19.871 19.000 -0.119 0.000 1.289 666 A HN 1.581 nan 8.150 nan 0.000 0.401 667 V N 3.282 123.173 119.914 -0.038 0.000 2.406 667 V HA 0.616 4.742 4.120 0.010 0.000 0.272 667 V C 1.372 177.446 176.094 -0.034 0.000 1.043 667 V CA 1.199 63.483 62.300 -0.027 0.000 0.915 667 V CB 0.092 31.902 31.823 -0.021 0.000 0.988 667 V HN 2.335 nan 8.190 nan 0.000 0.466 668 G N 5.397 114.179 108.800 -0.030 0.000 2.574 668 G HA2 -0.354 3.612 3.960 0.010 0.000 0.301 668 G HA3 -0.354 3.612 3.960 0.010 0.000 0.301 668 G C 1.206 176.081 174.900 -0.042 0.000 1.166 668 G CA 0.839 45.921 45.100 -0.030 0.000 0.971 668 G HN 1.398 nan 8.290 nan 0.000 0.542 669 S N 0.914 116.590 115.700 -0.040 0.000 2.555 669 S HA 0.404 4.880 4.470 0.010 0.000 0.230 669 S C 2.288 176.846 174.600 -0.070 0.000 0.978 669 S CA 1.330 59.502 58.200 -0.047 0.000 0.934 669 S CB -0.021 63.160 63.200 -0.033 0.000 0.766 669 S HN 1.974 nan 8.310 nan 0.000 0.533 670 A N 2.342 125.114 122.820 -0.080 0.000 2.239 670 A HA 0.056 4.382 4.320 0.010 0.000 0.209 670 A C 2.070 179.545 177.584 -0.181 0.000 1.171 670 A CA 0.964 52.923 52.037 -0.129 0.000 0.768 670 A CB -0.660 18.277 19.000 -0.106 0.000 0.790 670 A HN 0.765 nan 8.150 nan 0.000 0.478 671 K N 0.630 120.948 120.400 -0.137 0.000 2.280 671 K HA -0.140 4.186 4.320 0.010 0.000 0.202 671 K C 1.390 177.884 176.600 -0.176 0.000 1.047 671 K CA 1.565 57.764 56.287 -0.146 0.000 0.942 671 K CB -0.209 32.231 32.500 -0.101 0.000 0.739 671 K HN 0.399 nan 8.250 nan 0.000 0.457 672 K N 0.431 120.729 120.400 -0.169 0.000 2.209 672 K HA -0.074 4.252 4.320 0.010 0.000 0.204 672 K C 2.214 178.666 176.600 -0.248 0.000 1.048 672 K CA 1.056 57.243 56.287 -0.167 0.000 0.940 672 K CB -0.155 32.273 32.500 -0.120 0.000 0.729 672 K HN 0.311 nan 8.250 nan 0.000 0.451 673 A N 1.567 124.139 122.820 -0.414 0.000 1.933 673 A HA -0.116 4.210 4.320 0.010 0.000 0.218 673 A C 2.094 179.385 177.584 -0.489 0.000 1.175 673 A CA 1.156 52.739 52.037 -0.758 0.000 0.628 673 A CB -0.519 17.605 19.000 -1.461 0.000 0.814 673 A HN 0.156 nan 8.150 nan 0.000 0.444 674 L N -1.151 119.858 121.223 -0.355 0.000 2.141 674 L HA -0.192 4.154 4.340 0.010 0.000 0.209 674 L C 2.777 179.507 176.870 -0.235 0.000 1.094 674 L CA 1.240 55.914 54.840 -0.277 0.000 0.763 674 L CB -0.498 41.415 42.059 -0.243 0.000 0.908 674 L HN 0.466 nan 8.230 nan 0.000 0.437 675 Q N -0.343 119.339 119.800 -0.197 0.000 2.172 675 Q HA -0.149 4.197 4.340 0.010 0.000 0.200 675 Q C 2.478 178.404 176.000 -0.124 0.000 0.964 675 Q CA 1.655 57.368 55.803 -0.150 0.000 0.855 675 Q CB 0.039 28.704 28.738 -0.122 0.000 0.918 675 Q HN 0.619 nan 8.270 nan 0.000 0.444 676 S N 0.864 116.493 115.700 -0.118 0.000 2.383 676 S HA -0.133 4.343 4.470 0.010 0.000 0.227 676 S C 1.923 176.489 174.600 -0.057 0.000 1.026 676 S CA 1.099 59.262 58.200 -0.062 0.000 0.981 676 S CB -0.623 62.571 63.200 -0.010 0.000 0.818 676 S HN 0.563 nan 8.310 nan 0.000 0.472 677 I N -1.718 118.798 120.570 -0.089 0.000 3.428 677 I HA 0.452 4.628 4.170 0.010 0.000 0.286 677 I C 1.275 177.301 176.117 -0.152 0.000 1.287 677 I CA 0.277 61.515 61.300 -0.103 0.000 1.396 677 I CB -0.883 37.046 38.000 -0.119 0.000 1.062 677 I HN 0.396 nan 8.210 nan 0.000 0.471 678 G N 1.838 110.542 108.800 -0.160 0.000 2.291 678 G HA2 -0.163 3.803 3.960 0.010 0.000 0.271 678 G HA3 -0.163 3.803 3.960 0.010 0.000 0.271 678 G C -0.277 174.482 174.900 -0.235 0.000 1.099 678 G CA 0.063 45.069 45.100 -0.157 0.000 0.919 678 G HN 0.306 nan 8.290 nan 0.000 0.496 679 V N 0.558 120.286 119.914 -0.310 0.000 2.409 679 V HA 0.375 4.501 4.120 0.010 0.000 0.291 679 V C 0.569 176.503 176.094 -0.266 0.000 1.020 679 V CA -0.970 61.079 62.300 -0.418 0.000 0.848 679 V CB 1.698 33.099 31.823 -0.704 0.000 0.990 679 V HN 0.461 nan 8.190 nan 0.000 0.430 680 E N 3.393 123.475 120.200 -0.196 0.000 2.360 680 E HA 0.054 4.410 4.350 0.010 0.000 0.269 680 E C 0.766 177.277 176.600 -0.149 0.000 1.022 680 E CA -0.084 56.232 56.400 -0.141 0.000 0.887 680 E CB 1.070 30.712 29.700 -0.097 0.000 0.990 680 E HN 0.871 nan 8.360 nan 0.000 0.426 681 E N 3.013 123.135 120.200 -0.129 0.000 2.478 681 E HA -0.175 4.181 4.350 0.010 0.000 0.198 681 E C 0.804 177.331 176.600 -0.121 0.000 1.046 681 E CA 0.868 57.191 56.400 -0.129 0.000 0.870 681 E CB 0.010 29.649 29.700 -0.102 0.000 0.818 681 E HN 0.212 nan 8.360 nan 0.000 0.527 682 K N 1.585 121.923 120.400 -0.104 0.000 3.147 682 K HA 0.152 4.477 4.320 0.010 0.000 0.214 682 K C -0.822 175.719 176.600 -0.098 0.000 1.221 682 K CA -0.309 55.923 56.287 -0.092 0.000 1.117 682 K CB 0.447 32.911 32.500 -0.059 0.000 1.278 682 K HN 0.003 nan 8.250 nan 0.000 0.479 683 E N 0.513 120.630 120.200 -0.139 0.000 2.227 683 E HA 0.359 4.714 4.350 0.010 0.000 0.268 683 E C -0.721 175.748 176.600 -0.219 0.000 0.990 683 E CA -1.088 55.234 56.400 -0.129 0.000 0.856 683 E CB 1.629 31.281 29.700 -0.079 0.000 1.159 683 E HN 0.429 nan 8.360 nan 0.000 0.401 684 A N 1.008 123.727 122.820 -0.169 0.000 2.484 684 A HA 0.410 4.735 4.320 0.010 0.000 0.268 684 A C 1.083 178.264 177.584 -0.672 0.000 1.114 684 A CA 0.851 52.763 52.037 -0.210 0.000 0.780 684 A CB -0.818 18.206 19.000 0.040 0.000 1.061 684 A HN 0.824 nan 8.150 nan 0.000 0.505 685 G N 1.279 109.460 108.800 -1.032 0.000 2.176 685 G HA2 -0.137 3.829 3.960 0.010 0.000 0.232 685 G HA3 -0.137 3.829 3.960 0.010 0.000 0.232 685 G C 0.055 174.273 174.900 -1.137 0.000 0.986 685 G CA 0.049 44.148 45.100 -1.669 0.000 0.643 685 G HN 1.431 nan 8.290 nan 0.000 0.522 686 V N 0.954 120.264 119.914 -1.006 0.000 2.417 686 V HA 0.694 4.820 4.120 0.010 0.000 0.291 686 V C -0.562 175.060 176.094 -0.786 0.000 1.024 686 V CA -0.820 61.081 62.300 -0.665 0.000 0.861 686 V CB 1.151 32.772 31.823 -0.336 0.000 0.985 686 V HN 0.268 nan 8.190 nan 0.000 0.436 687 Y N 2.943 123.197 120.300 -0.076 0.000 2.326 687 Y HA 0.777 5.333 4.550 0.010 0.000 0.329 687 Y C 0.227 176.094 175.900 -0.056 0.000 0.973 687 Y CA -0.606 57.463 58.100 -0.052 0.000 1.162 687 Y CB 1.998 40.440 38.460 -0.030 0.000 1.147 687 Y HN 0.711 nan 8.280 nan 0.000 0.456 688 A N 2.159 125.015 122.820 0.060 0.000 2.386 688 A HA 0.994 5.319 4.320 0.010 0.000 0.311 688 A C 0.181 177.774 177.584 0.016 0.000 1.068 688 A CA -0.031 52.012 52.037 0.009 0.000 0.743 688 A CB 1.466 20.441 19.000 -0.041 0.000 1.258 688 A HN 1.172 nan 8.150 nan 0.000 0.429 689 G N -0.431 108.370 108.800 0.002 0.000 2.366 689 G HA2 0.577 4.542 3.960 0.010 0.000 0.190 689 G HA3 0.577 4.542 3.960 0.010 0.000 0.190 689 G C 0.131 175.029 174.900 -0.004 0.000 1.299 689 G CA 0.181 45.282 45.100 0.000 0.000 1.056 689 G HN 2.037 nan 8.290 nan 0.000 0.468 690 A N -0.355 122.464 122.820 -0.001 0.000 2.327 690 A HA 0.617 4.943 4.320 0.010 0.000 0.255 690 A C 1.416 178.996 177.584 -0.007 0.000 1.099 690 A CA 1.200 53.234 52.037 -0.005 0.000 0.801 690 A CB 0.554 19.552 19.000 -0.004 0.000 1.062 690 A HN 0.899 nan 8.150 nan 0.000 0.496 691 Q N -0.388 119.406 119.800 -0.010 0.000 2.020 691 Q HA -0.214 4.132 4.340 0.010 0.000 0.202 691 Q C 1.391 177.382 176.000 -0.015 0.000 0.982 691 Q CA 2.056 57.851 55.803 -0.013 0.000 0.838 691 Q CB -0.204 28.526 28.738 -0.013 0.000 0.899 691 Q HN 0.936 nan 8.270 nan 0.000 0.423 692 D N -0.246 120.147 120.400 -0.013 0.000 2.218 692 D HA -0.204 4.442 4.640 0.010 0.000 0.204 692 D C 1.148 177.437 176.300 -0.018 0.000 0.976 692 D CA 1.158 55.149 54.000 -0.015 0.000 0.853 692 D CB -0.383 40.411 40.800 -0.011 0.000 0.939 692 D HN 0.431 nan 8.370 nan 0.000 0.481 693 E N 0.037 120.230 120.200 -0.011 0.000 2.274 693 E HA -0.028 4.328 4.350 0.010 0.000 0.194 693 E C 2.133 178.725 176.600 -0.014 0.000 0.996 693 E CA 0.253 56.650 56.400 -0.006 0.000 0.840 693 E CB 0.430 30.134 29.700 0.008 0.000 0.772 693 E HN 0.203 nan 8.360 nan 0.000 0.491 694 V N 1.020 120.923 119.914 -0.018 0.000 2.500 694 V HA -0.142 3.984 4.120 0.010 0.000 0.243 694 V C 2.142 178.188 176.094 -0.080 0.000 1.039 694 V CA 0.786 63.070 62.300 -0.028 0.000 1.053 694 V CB -0.157 31.664 31.823 -0.005 0.000 0.695 694 V HN 0.213 nan 8.190 nan 0.000 0.463 695 I N 0.429 120.964 120.570 -0.059 0.000 2.091 695 I HA -0.226 3.950 4.170 0.010 0.000 0.239 695 I C 1.557 177.619 176.117 -0.092 0.000 1.061 695 I CA 1.446 62.709 61.300 -0.062 0.000 1.317 695 I CB -0.208 37.770 38.000 -0.038 0.000 1.031 695 I HN 0.240 nan 8.210 nan 0.000 0.401 696 K N 0.913 121.262 120.400 -0.085 0.000 2.326 696 K HA 0.275 4.601 4.320 0.010 0.000 0.275 696 K C 0.689 177.171 176.600 -0.197 0.000 1.018 696 K CA 0.850 57.077 56.287 -0.100 0.000 0.962 696 K CB 1.013 33.480 32.500 -0.054 0.000 0.953 696 K HN 0.425 nan 8.250 nan 0.000 0.475 697 G N 1.645 110.291 108.800 -0.257 0.000 2.659 697 G HA2 -0.322 3.643 3.960 0.010 0.000 0.212 697 G HA3 -0.322 3.643 3.960 0.010 0.000 0.212 697 G C 0.860 175.217 174.900 -0.906 0.000 1.226 697 G CA 0.081 44.844 45.100 -0.561 0.000 0.739 697 G HN 0.465 nan 8.290 nan 0.000 0.528 698 V N 1.591 121.070 119.914 -0.724 0.000 2.358 698 V HA -0.072 4.054 4.120 0.010 0.000 0.246 698 V C 2.569 178.593 176.094 -0.115 0.000 1.047 698 V CA 2.926 65.013 62.300 -0.356 0.000 1.035 698 V CB -0.467 31.259 31.823 -0.162 0.000 0.658 698 V HN 0.629 nan 8.190 nan 0.000 0.452 699 E N -0.127 120.011 120.200 -0.103 0.000 2.106 699 E HA -0.215 4.141 4.350 0.010 0.000 0.192 699 E C 2.213 178.816 176.600 0.004 0.000 0.984 699 E CA 1.325 57.711 56.400 -0.024 0.000 0.806 699 E CB -0.105 29.580 29.700 -0.025 0.000 0.750 699 E HN 0.700 nan 8.360 nan 0.000 0.458 700 E N 0.064 120.247 120.200 -0.028 0.000 2.150 700 E HA -0.105 4.250 4.350 0.010 0.000 0.193 700 E C 2.176 178.848 176.600 0.120 0.000 0.985 700 E CA 0.830 57.250 56.400 0.033 0.000 0.814 700 E CB -0.106 29.607 29.700 0.021 0.000 0.752 700 E HN 0.280 nan 8.360 nan 0.000 0.466 701 G N 1.262 110.158 108.800 0.160 0.000 2.421 701 G HA2 -0.167 3.798 3.960 0.010 0.000 0.217 701 G HA3 -0.167 3.798 3.960 0.010 0.000 0.217 701 G C 1.582 176.660 174.900 0.297 0.000 1.143 701 G CA 0.096 45.450 45.100 0.424 0.000 0.784 701 G HN 0.072 nan 8.290 nan 0.000 0.541 702 L N -0.104 121.243 121.223 0.207 0.000 2.141 702 L HA -0.011 4.335 4.340 0.010 0.000 0.209 702 L C 2.897 179.909 176.870 0.236 0.000 1.094 702 L CA 0.913 55.885 54.840 0.219 0.000 0.763 702 L CB -0.153 42.014 42.059 0.179 0.000 0.908 702 L HN 0.163 nan 8.230 nan 0.000 0.437 703 K N -0.519 119.970 120.400 0.149 0.000 2.097 703 K HA -0.100 4.226 4.320 0.010 0.000 0.205 703 K C 2.010 178.662 176.600 0.086 0.000 1.050 703 K CA 1.046 57.396 56.287 0.104 0.000 0.938 703 K CB -0.067 32.473 32.500 0.067 0.000 0.718 703 K HN 0.153 nan 8.250 nan 0.000 0.442 704 V N 0.696 120.637 119.914 0.046 0.000 2.453 704 V HA -0.192 3.934 4.120 0.010 0.000 0.247 704 V C 1.431 177.536 176.094 0.020 0.000 1.048 704 V CA 1.733 63.987 62.300 -0.077 0.000 1.049 704 V CB -0.636 30.968 31.823 -0.366 0.000 0.672 704 V HN 0.375 nan 8.190 nan 0.000 0.457 705 F N -0.613 119.277 119.950 -0.099 0.000 2.540 705 F HA -0.350 4.182 4.527 0.010 0.000 0.722 705 F C 0.655 176.501 175.800 0.076 0.000 0.486 705 F CA 2.189 60.193 58.000 0.006 0.000 0.756 705 F CB -0.603 38.380 39.000 -0.029 0.000 1.620 705 F HN 0.168 nan 8.300 nan 0.000 0.271 706 K N 0.479 120.981 120.400 0.169 0.000 2.292 706 K HA 0.524 4.850 4.320 0.010 0.000 0.257 706 K C -1.447 175.210 176.600 0.096 0.000 0.940 706 K CA -0.272 56.156 56.287 0.234 0.000 0.811 706 K CB 0.898 33.714 32.500 0.526 0.000 1.120 706 K HN 0.075 nan 8.250 nan 0.000 0.428 707 F N 4.753 124.853 119.950 0.249 0.000 2.335 707 F HA 0.228 4.761 4.527 0.010 0.000 0.365 707 F C 0.995 176.963 175.800 0.279 0.000 1.122 707 F CA -0.430 57.690 58.000 0.201 0.000 1.151 707 F CB 0.458 39.518 39.000 0.100 0.000 1.282 707 F HN 0.384 nan 8.300 nan 0.000 0.513 708 L N 2.724 124.151 121.223 0.339 0.000 2.395 708 L HA -0.092 4.254 4.340 0.010 0.000 0.218 708 L C 2.301 179.350 176.870 0.299 0.000 1.130 708 L CA 0.489 55.518 54.840 0.315 0.000 0.826 708 L CB -0.340 41.762 42.059 0.072 0.000 0.941 708 L HN 0.585 nan 8.230 nan 0.000 0.451 709 E N 0.917 121.248 120.200 0.218 0.000 2.338 709 E HA -0.216 4.140 4.350 0.010 0.000 0.197 709 E C 1.581 178.214 176.600 0.054 0.000 1.007 709 E CA 0.790 57.262 56.400 0.120 0.000 0.849 709 E CB -0.207 29.554 29.700 0.103 0.000 0.774 709 E HN 0.532 nan 8.360 nan 0.000 0.506 710 R N 0.003 120.502 120.500 -0.001 0.000 2.313 710 R HA 0.171 4.517 4.340 0.010 0.000 0.199 710 R C -0.175 175.866 176.300 -0.432 0.000 0.958 710 R CA 0.117 56.043 56.100 -0.290 0.000 1.047 710 R CB -0.003 29.955 30.300 -0.571 0.000 0.955 710 R HN 0.049 nan 8.270 nan 0.000 0.481 711 F N 0.467 120.406 119.950 -0.019 0.000 2.436 711 F HA 0.424 4.957 4.527 0.010 0.000 0.340 711 F C 0.411 176.177 175.800 -0.056 0.000 1.113 711 F CA -1.369 56.622 58.000 -0.015 0.000 1.022 711 F CB 1.234 40.225 39.000 -0.014 0.000 1.128 711 F HN -0.131 nan 8.300 nan 0.000 0.466 712 A N 3.382 126.271 122.820 0.116 0.000 2.409 712 A HA 0.581 4.907 4.320 0.010 0.000 0.267 712 A C -0.251 177.348 177.584 0.025 0.000 1.127 712 A CA -0.441 51.626 52.037 0.050 0.000 0.795 712 A CB 0.035 19.061 19.000 0.044 0.000 1.061 712 A HN 0.586 nan 8.150 nan 0.000 0.502 713 V N 2.825 122.734 119.914 -0.008 0.000 2.904 713 V HA 0.136 4.261 4.120 0.010 0.000 0.305 713 V C 0.383 176.471 176.094 -0.011 0.000 1.067 713 V CA -0.797 61.483 62.300 -0.033 0.000 1.044 713 V CB 1.215 33.002 31.823 -0.060 0.000 1.050 713 V HN 0.871 nan 8.190 nan 0.000 0.475 714 D N 1.837 122.231 120.400 -0.010 0.000 2.443 714 D HA 0.433 5.079 4.640 0.010 0.000 0.239 714 D C 0.677 176.978 176.300 0.002 0.000 1.136 714 D CA 1.724 55.726 54.000 0.003 0.000 0.879 714 D CB 1.077 41.883 40.800 0.009 0.000 1.195 714 D HN 0.970 nan 8.370 nan 0.000 0.443 715 G N 2.311 111.114 108.800 0.006 0.000 2.499 715 G HA2 -0.184 3.781 3.960 0.010 0.000 0.232 715 G HA3 -0.184 3.781 3.960 0.010 0.000 0.232 715 G C -0.601 174.302 174.900 0.004 0.000 1.251 715 G CA 0.041 45.143 45.100 0.004 0.000 0.917 715 G HN 0.729 nan 8.290 nan 0.000 0.580 716 D N 0.000 120.401 120.400 0.002 0.000 6.856 716 D HA 0.000 4.646 4.640 0.010 0.000 0.175 716 D CA 0.000 54.001 54.000 0.002 0.000 0.868 716 D CB 0.000 40.801 40.800 0.001 0.000 0.688 716 D HN 0.000 nan 8.370 nan 0.000 0.683