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 2g54_1_B DATA FIRST_RESID 44 DATA SEQUENCE NPAIKRIGNH ITKSPEDKRE YRGLELANGI KVLLISDPTT DKSSAALDVH DATA SEQUENCE IGSLSDPPNI AGLSHFCQHM LFLGTKKYPK ENEYSQFLSE HAGSSNAFTS DATA SEQUENCE GEHTNYYFDV SHEHLEGALD RFAQFFLCPL FDESCKDREV NAVDSEHEKN DATA SEQUENCE VMNDAWRLFQ LEKATGNPKH PFSKFGTGNK YTLETRPNQE GIDVRQELLK DATA SEQUENCE FHSAYYSSNL MAVCVLGRES LDDLTNLVVK LFSEVENKNV PLPEFPEHPF DATA SEQUENCE QEEHLKQLYK IVPIKDIRNL YVTFPIPDLQ KYYKSNPGHY LGHLIGHEGP DATA SEQUENCE GSLLSELKSK GWVNTLVGGQ KEGARGFMFF IINVDLTEEG LLHVEDIILH DATA SEQUENCE MFQYIQKLRA EGPQEWVFQE CKDLNAVAFR FKDKERPRGY TSKIAGILHY DATA SEQUENCE YPLEEVLTAE YLLEEFRPDL IEMVLDKLRP ENVRVAIVSK SFEGKTDRTE DATA SEQUENCE EWYGTQYKQE AIPDEVIKKW QNADLNGKFK LPTKNEFIPT NFEILPLEKE DATA SEQUENCE ATPYPALIKD TAMSKLWFKQ DDKFFLPKAC LNFEFFSPFA YVDPLHCNMA DATA SEQUENCE YLYLELLKDS LNEYAYAAEL AGLSYDLQNT IYGMYLSVKG YNDKQPILLK DATA SEQUENCE KIIEKMATFE IDEKRFEIIK EAYMRSLNNF RAEQPHQHAM YYLRLLMTEV DATA SEQUENCE AWTKDELKEA LDDVTLPRLK AFIPQLLSRL HIEALLHGNI TKQAALGIMQ DATA SEQUENCE MVEDTLIEHA HTKPLLPSQL VRYREVQLPD RGWFVYQQRN EVHNNCGIEI DATA SEQUENCE YYQTDMQSTS ENMFLELFCQ IISEPCFNTL RTKEQLGYIV FSGPRRANGI DATA SEQUENCE QGLRFIIQSE KPPHYLESRV EAFLITMEKS IEDMTEEAFQ KHIQALAIRR DATA SEQUENCE LDKPKKLSAE CAKYWGEIIS QQYNFDRDNT EVAYLKTLTK EDIIKFYKEM DATA SEQUENCE LAVDAPRRHK VSVHVLAREM DSCPVVGEFX XXXXINLSQA PALPQPEVIQ DATA SEQUENCE NMTEFKRGLP LFPLVKPHIN F 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 44 N HA 0.000 nan 4.740 nan 0.000 0.220 44 N C 0.000 175.517 175.510 0.012 0.000 1.280 44 N CA 0.000 53.057 53.050 0.012 0.000 0.885 44 N CB 0.000 38.495 38.487 0.013 0.000 1.341 45 P HA 0.184 nan 4.420 nan 0.000 0.221 45 P C 1.639 178.948 177.300 0.014 0.000 1.155 45 P CA 1.536 64.642 63.100 0.011 0.000 0.812 45 P CB 0.467 32.173 31.700 0.010 0.000 0.801 46 A N -0.808 122.022 122.820 0.018 0.000 2.206 46 A HA 0.051 4.371 4.320 0.001 0.000 0.211 46 A C 1.003 178.601 177.584 0.024 0.000 1.158 46 A CA 0.496 52.547 52.037 0.024 0.000 0.761 46 A CB -0.868 18.150 19.000 0.030 0.000 0.801 46 A HN 0.151 nan 8.150 nan 0.000 0.473 47 I N 0.007 120.588 120.570 0.018 0.000 2.388 47 I HA 0.125 4.296 4.170 0.001 0.000 0.281 47 I C 1.166 177.290 176.117 0.010 0.000 1.046 47 I CA -0.380 60.928 61.300 0.015 0.000 1.187 47 I CB 1.401 39.409 38.000 0.013 0.000 1.351 47 I HN 0.219 nan 8.210 nan 0.000 0.472 48 K N 5.657 126.062 120.400 0.009 0.000 2.009 48 K HA -0.034 4.287 4.320 0.001 0.000 0.210 48 K C 0.930 177.534 176.600 0.006 0.000 1.049 48 K CA 1.441 57.732 56.287 0.006 0.000 0.929 48 K CB 0.394 32.897 32.500 0.004 0.000 0.714 48 K HN 0.528 nan 8.250 nan 0.000 0.440 49 R N -0.520 119.983 120.500 0.004 0.000 2.764 49 R HA 0.501 4.842 4.340 0.001 0.000 0.270 49 R C -1.817 174.485 176.300 0.003 0.000 1.014 49 R CA -0.706 55.397 56.100 0.005 0.000 0.904 49 R CB 1.515 31.818 30.300 0.006 0.000 1.236 49 R HN 0.205 nan 8.270 nan 0.000 0.466 50 I N 0.236 120.808 120.570 0.004 0.000 2.918 50 I HA 0.643 4.814 4.170 0.001 0.000 0.301 50 I C -1.593 174.525 176.117 0.002 0.000 1.312 50 I CA -0.591 60.709 61.300 -0.001 0.000 1.007 50 I CB 2.576 40.573 38.000 -0.005 0.000 1.281 50 I HN 0.739 nan 8.210 nan 0.000 0.440 51 G N 4.347 113.144 108.800 -0.004 0.000 2.753 51 G HA2 0.238 4.199 3.960 0.001 0.000 0.282 51 G HA3 0.238 4.199 3.960 0.001 0.000 0.282 51 G C -0.626 174.247 174.900 -0.045 0.000 1.512 51 G CA -0.447 44.653 45.100 0.000 0.000 1.076 51 G HN 0.626 nan 8.290 nan 0.000 0.545 52 N N 0.865 119.475 118.700 -0.150 0.000 2.276 52 N HA 0.051 4.791 4.740 0.001 0.000 0.212 52 N C -0.345 174.904 175.510 -0.435 0.000 1.127 52 N CA 0.137 53.027 53.050 -0.267 0.000 0.834 52 N CB 0.295 38.596 38.487 -0.310 0.000 1.014 52 N HN 0.533 nan 8.380 nan 0.000 0.491 53 H N 0.785 119.871 119.070 0.026 0.000 2.336 53 H HA 0.230 4.786 4.556 0.001 0.000 0.230 53 H C -0.105 175.231 175.328 0.013 0.000 1.426 53 H CA -0.451 55.610 56.048 0.022 0.000 1.359 53 H CB 0.553 30.324 29.762 0.014 0.000 1.555 53 H HN -0.036 nan 8.280 nan 0.000 0.512 54 I N 2.691 123.309 120.570 0.079 0.000 2.308 54 I HA 0.004 4.175 4.170 0.001 0.000 0.293 54 I C 0.895 177.008 176.117 -0.008 0.000 1.078 54 I CA -0.194 61.119 61.300 0.022 0.000 1.292 54 I CB 0.007 38.008 38.000 0.001 0.000 1.423 54 I HN 0.131 nan 8.210 nan 0.000 0.493 55 T N 8.192 122.743 114.554 -0.006 0.000 2.792 55 T HA 0.085 4.435 4.350 0.001 0.000 0.286 55 T C 0.554 175.249 174.700 -0.009 0.000 0.970 55 T CA 0.119 62.218 62.100 -0.001 0.000 1.187 55 T CB 0.018 68.876 68.868 -0.017 0.000 0.915 55 T HN 0.654 nan 8.240 nan 0.000 0.529 56 K N 0.911 121.320 120.400 0.014 0.000 2.378 56 K HA 0.672 4.993 4.320 0.001 0.000 0.244 56 K C -0.626 175.974 176.600 0.001 0.000 1.039 56 K CA -1.051 55.229 56.287 -0.010 0.000 0.863 56 K CB 1.324 33.736 32.500 -0.147 0.000 1.326 56 K HN 0.294 nan 8.250 nan 0.000 0.460 57 S N 2.206 117.725 115.700 -0.303 0.000 2.564 57 S HA 0.085 4.555 4.470 0.001 0.000 0.278 57 S C -1.609 172.848 174.600 -0.239 0.000 1.333 57 S CA -1.098 56.805 58.200 -0.497 0.000 1.048 57 S CB 0.776 63.438 63.200 -0.898 0.000 0.900 57 S HN 0.584 nan 8.310 nan 0.000 0.505 58 P HA -0.111 nan 4.420 nan 0.000 0.222 58 P C 0.621 177.856 177.300 -0.108 0.000 1.147 58 P CA 0.998 64.025 63.100 -0.121 0.000 0.790 58 P CB 0.250 31.875 31.700 -0.125 0.000 0.780 59 E N -0.286 119.819 120.200 -0.159 0.000 2.478 59 E HA -0.011 4.340 4.350 0.001 0.000 0.194 59 E C 0.331 176.897 176.600 -0.057 0.000 1.045 59 E CA 0.328 56.678 56.400 -0.082 0.000 0.868 59 E CB -0.337 29.319 29.700 -0.074 0.000 0.885 59 E HN 0.264 nan 8.360 nan 0.000 0.505 60 D N 1.063 121.412 120.400 -0.085 0.000 2.336 60 D HA 0.065 4.705 4.640 0.001 0.000 0.249 60 D C 0.400 176.722 176.300 0.037 0.000 1.213 60 D CA -0.116 53.870 54.000 -0.022 0.000 0.870 60 D CB 0.904 41.694 40.800 -0.017 0.000 1.076 60 D HN -0.294 nan 8.370 nan 0.000 0.483 61 K N 1.968 122.387 120.400 0.032 0.000 2.426 61 K HA 0.124 4.444 4.320 0.001 0.000 0.193 61 K C 0.625 177.233 176.600 0.013 0.000 1.028 61 K CA 0.086 56.388 56.287 0.024 0.000 1.047 61 K CB 0.192 32.701 32.500 0.014 0.000 0.821 61 K HN 0.262 nan 8.250 nan 0.000 0.513 62 R N 1.504 122.014 120.500 0.017 0.000 2.643 62 R HA 0.080 4.420 4.340 0.001 0.000 0.270 62 R C -0.152 176.054 176.300 -0.155 0.000 1.061 62 R CA 0.126 56.158 56.100 -0.113 0.000 1.107 62 R CB 0.430 30.610 30.300 -0.201 0.000 0.999 62 R HN 0.073 nan 8.270 nan 0.000 0.460 63 E N 2.441 122.477 120.200 -0.273 0.000 2.175 63 E HA 0.193 4.543 4.350 0.001 0.000 0.278 63 E C -1.004 175.386 176.600 -0.351 0.000 0.969 63 E CA -0.280 56.017 56.400 -0.171 0.000 0.796 63 E CB 1.329 30.969 29.700 -0.099 0.000 1.104 63 E HN 0.363 nan 8.360 nan 0.000 0.395 64 Y N 0.826 121.126 120.300 -0.000 0.000 2.485 64 Y HA 0.497 5.047 4.550 0.001 0.000 0.345 64 Y C 0.425 176.310 175.900 -0.025 0.000 0.998 64 Y CA -0.926 57.170 58.100 -0.007 0.000 1.059 64 Y CB 2.161 40.624 38.460 0.005 0.000 1.234 64 Y HN 0.325 nan 8.280 nan 0.000 0.461 65 R N 1.017 121.588 120.500 0.117 0.000 2.522 65 R HA 0.664 5.004 4.340 0.001 0.000 0.283 65 R C -1.180 175.139 176.300 0.033 0.000 1.074 65 R CA -0.582 55.544 56.100 0.044 0.000 0.925 65 R CB 1.476 31.779 30.300 0.004 0.000 1.205 65 R HN 0.938 nan 8.270 nan 0.000 0.436 66 G N 3.654 112.465 108.800 0.018 0.000 2.400 66 G HA2 0.653 4.613 3.960 0.001 0.000 0.333 66 G HA3 0.653 4.613 3.960 0.001 0.000 0.333 66 G C -1.198 173.697 174.900 -0.008 0.000 1.143 66 G CA -0.631 44.470 45.100 0.002 0.000 0.914 66 G HN 0.488 nan 8.290 nan 0.000 0.480 67 L N -1.547 119.666 121.223 -0.018 0.000 2.671 67 L HA 0.790 5.131 4.340 0.001 0.000 0.259 67 L C -0.786 176.070 176.870 -0.024 0.000 1.021 67 L CA -1.208 53.623 54.840 -0.015 0.000 0.871 67 L CB 2.318 44.371 42.059 -0.010 0.000 1.472 67 L HN 0.550 nan 8.230 nan 0.000 0.410 68 E N 1.417 121.608 120.200 -0.015 0.000 2.235 68 E HA 0.567 4.917 4.350 0.001 0.000 0.252 68 E C -1.112 175.484 176.600 -0.006 0.000 0.886 68 E CA -0.628 55.761 56.400 -0.018 0.000 0.767 68 E CB 1.137 30.829 29.700 -0.014 0.000 1.205 68 E HN 0.729 nan 8.360 nan 0.000 0.421 69 L N 2.613 123.834 121.223 -0.003 0.000 2.479 69 L HA 0.098 4.439 4.340 0.001 0.000 0.270 69 L C 1.751 178.629 176.870 0.013 0.000 1.236 69 L CA 0.272 55.120 54.840 0.014 0.000 0.823 69 L CB 0.330 42.408 42.059 0.032 0.000 1.098 69 L HN 0.736 nan 8.230 nan 0.000 0.500 70 A N 1.508 124.339 122.820 0.019 0.000 2.024 70 A HA -0.196 4.124 4.320 0.001 0.000 0.220 70 A C 1.651 179.243 177.584 0.014 0.000 1.164 70 A CA 1.873 53.919 52.037 0.015 0.000 0.643 70 A CB -0.840 18.170 19.000 0.017 0.000 0.806 70 A HN 0.952 nan 8.150 nan 0.000 0.451 71 N N -1.361 117.352 118.700 0.021 0.000 2.521 71 N HA 0.249 4.989 4.740 0.001 0.000 0.188 71 N C 1.037 176.554 175.510 0.011 0.000 1.146 71 N CA 1.271 54.334 53.050 0.021 0.000 0.893 71 N CB -0.303 38.207 38.487 0.037 0.000 0.975 71 N HN 0.771 nan 8.380 nan 0.000 0.451 72 G N -0.267 108.536 108.800 0.005 0.000 2.194 72 G HA2 -0.247 3.713 3.960 0.001 0.000 0.236 72 G HA3 -0.247 3.713 3.960 0.001 0.000 0.236 72 G C -0.127 174.766 174.900 -0.012 0.000 0.987 72 G CA -0.017 45.081 45.100 -0.003 0.000 0.635 72 G HN 0.365 nan 8.290 nan 0.000 0.520 73 I N 1.898 122.459 120.570 -0.014 0.000 2.587 73 I HA 0.131 4.302 4.170 0.001 0.000 0.284 73 I C 0.760 176.835 176.117 -0.069 0.000 1.134 73 I CA 0.330 61.604 61.300 -0.045 0.000 1.410 73 I CB 0.551 38.523 38.000 -0.046 0.000 1.392 73 I HN 0.038 nan 8.210 nan 0.000 0.545 74 K N 5.877 126.216 120.400 -0.101 0.000 2.276 74 K HA 0.511 4.832 4.320 0.001 0.000 0.283 74 K C -0.779 175.735 176.600 -0.143 0.000 1.044 74 K CA -0.417 55.803 56.287 -0.113 0.000 0.944 74 K CB 1.443 33.860 32.500 -0.139 0.000 1.012 74 K HN 0.334 nan 8.250 nan 0.000 0.472 75 V N 3.626 123.474 119.914 -0.110 0.000 2.914 75 V HA 0.432 4.553 4.120 0.001 0.000 0.314 75 V C -0.912 175.132 176.094 -0.084 0.000 1.084 75 V CA -1.095 61.133 62.300 -0.120 0.000 0.963 75 V CB 2.172 33.930 31.823 -0.108 0.000 1.025 75 V HN 0.575 nan 8.190 nan 0.000 0.432 76 L N 4.575 125.745 121.223 -0.087 0.000 2.441 76 L HA 0.602 4.942 4.340 0.001 0.000 0.270 76 L C -1.320 175.527 176.870 -0.039 0.000 0.973 76 L CA -0.198 54.617 54.840 -0.042 0.000 0.842 76 L CB 1.556 43.587 42.059 -0.047 0.000 1.239 76 L HN 0.613 nan 8.230 nan 0.000 0.406 77 L N 5.806 127.021 121.223 -0.013 0.000 2.309 77 L HA 0.585 4.926 4.340 0.001 0.000 0.282 77 L C -0.351 176.483 176.870 -0.059 0.000 1.036 77 L CA -0.517 54.302 54.840 -0.035 0.000 0.806 77 L CB 2.023 44.065 42.059 -0.028 0.000 1.220 77 L HN 0.475 nan 8.230 nan 0.000 0.429 78 I N 1.820 122.320 120.570 -0.116 0.000 2.447 78 I HA 0.251 4.421 4.170 0.001 0.000 0.287 78 I C -0.316 175.680 176.117 -0.202 0.000 1.023 78 I CA -0.238 60.902 61.300 -0.266 0.000 1.083 78 I CB 2.089 39.956 38.000 -0.220 0.000 1.245 78 I HN 0.482 nan 8.210 nan 0.000 0.434 79 S N 4.506 120.066 115.700 -0.233 0.000 2.437 79 S HA 0.351 4.821 4.470 0.001 0.000 0.305 79 S C -0.889 173.623 174.600 -0.147 0.000 1.109 79 S CA -0.394 57.720 58.200 -0.143 0.000 1.099 79 S CB 0.679 63.816 63.200 -0.105 0.000 1.004 79 S HN 0.613 nan 8.310 nan 0.000 0.475 80 D N 5.295 125.634 120.400 -0.103 0.000 2.346 80 D HA 0.375 5.015 4.640 0.001 0.000 0.255 80 D C -2.185 174.066 176.300 -0.082 0.000 1.276 80 D CA -1.931 52.016 54.000 -0.089 0.000 0.941 80 D CB 1.768 42.523 40.800 -0.075 0.000 1.199 80 D HN 0.195 nan 8.370 nan 0.000 0.537 81 P HA -0.087 nan 4.420 nan 0.000 0.226 81 P C 1.195 178.423 177.300 -0.121 0.000 1.146 81 P CA 1.214 64.260 63.100 -0.090 0.000 0.773 81 P CB 0.314 31.974 31.700 -0.066 0.000 0.772 82 T N -7.123 107.370 114.554 -0.102 0.000 3.014 82 T HA 0.066 4.416 4.350 0.001 0.000 0.250 82 T C 0.959 175.593 174.700 -0.110 0.000 1.060 82 T CA 0.023 62.062 62.100 -0.102 0.000 1.040 82 T CB -1.066 67.767 68.868 -0.058 0.000 0.971 82 T HN -0.083 nan 8.240 nan 0.000 0.497 83 T N 2.178 116.675 114.554 -0.095 0.000 2.905 83 T HA 0.017 4.367 4.350 0.001 0.000 0.299 83 T C 0.658 175.321 174.700 -0.062 0.000 1.024 83 T CA 0.085 62.153 62.100 -0.054 0.000 1.151 83 T CB 0.056 68.909 68.868 -0.024 0.000 0.987 83 T HN 0.214 nan 8.240 nan 0.000 0.535 84 D N 3.833 124.245 120.400 0.020 0.000 2.249 84 D HA 0.085 4.725 4.640 0.001 0.000 0.205 84 D C 0.428 176.857 176.300 0.216 0.000 0.962 84 D CA 1.048 55.124 54.000 0.126 0.000 0.860 84 D CB 0.402 41.263 40.800 0.101 0.000 0.955 84 D HN 0.526 nan 8.370 nan 0.000 0.505 85 K N 0.297 120.779 120.400 0.136 0.000 2.324 85 K HA 0.422 4.742 4.320 0.001 0.000 0.253 85 K C -0.621 176.048 176.600 0.114 0.000 0.932 85 K CA -0.431 55.939 56.287 0.137 0.000 0.799 85 K CB 2.672 35.234 32.500 0.104 0.000 1.154 85 K HN -0.218 nan 8.250 nan 0.000 0.425 86 S N 0.635 116.416 115.700 0.134 0.000 2.687 86 S HA 0.586 5.056 4.470 0.001 0.000 0.283 86 S C -0.621 173.989 174.600 0.016 0.000 1.170 86 S CA -0.661 57.591 58.200 0.087 0.000 1.008 86 S CB 1.439 64.715 63.200 0.127 0.000 1.026 86 S HN 0.544 nan 8.310 nan 0.000 0.541 87 S N -0.063 115.570 115.700 -0.111 0.000 2.570 87 S HA 0.852 5.322 4.470 0.001 0.000 0.270 87 S C -1.233 173.044 174.600 -0.539 0.000 1.149 87 S CA -0.729 57.244 58.200 -0.378 0.000 0.837 87 S CB 1.833 64.906 63.200 -0.213 0.000 1.124 87 S HN 0.999 nan 8.310 nan 0.000 0.465 88 A N 0.501 122.717 122.820 -1.007 0.000 2.594 88 A HA 0.996 5.316 4.320 0.001 0.000 0.295 88 A C -1.366 175.841 177.584 -0.628 0.000 1.071 88 A CA -0.443 51.158 52.037 -0.727 0.000 0.685 88 A CB 1.482 20.103 19.000 -0.632 0.000 1.285 88 A HN 1.672 nan 8.150 nan 0.000 0.405 89 A N 0.405 123.066 122.820 -0.265 0.000 2.589 89 A HA 0.763 5.083 4.320 0.001 0.000 0.296 89 A C -1.734 175.927 177.584 0.129 0.000 1.062 89 A CA -0.265 51.791 52.037 0.032 0.000 0.686 89 A CB 1.214 20.270 19.000 0.093 0.000 1.282 89 A HN 1.980 nan 8.150 nan 0.000 0.404 90 L N 1.722 123.158 121.223 0.356 0.000 2.410 90 L HA 0.632 4.973 4.340 0.001 0.000 0.270 90 L C -1.617 175.356 176.870 0.172 0.000 0.983 90 L CA -0.440 54.472 54.840 0.120 0.000 0.822 90 L CB 1.775 43.772 42.059 -0.104 0.000 1.285 90 L HN 0.807 nan 8.230 nan 0.000 0.409 91 D N 4.454 124.907 120.400 0.088 0.000 2.408 91 D HA 0.321 4.961 4.640 0.001 0.000 0.243 91 D C -1.177 175.242 176.300 0.199 0.000 1.075 91 D CA -0.261 53.844 54.000 0.175 0.000 0.832 91 D CB 2.353 43.280 40.800 0.211 0.000 1.162 91 D HN 0.271 nan 8.370 nan 0.000 0.515 92 V N 4.381 124.336 119.914 0.069 0.000 2.432 92 V HA 0.105 4.225 4.120 0.001 0.000 0.275 92 V C 0.969 176.997 176.094 -0.110 0.000 1.043 92 V CA -0.564 61.672 62.300 -0.107 0.000 0.925 92 V CB 1.084 32.647 31.823 -0.434 0.000 0.985 92 V HN 0.604 nan 8.190 nan 0.000 0.466 93 H N 4.110 122.945 119.070 -0.392 0.000 3.332 93 H HA 0.400 4.956 4.556 0.001 0.000 0.235 93 H C -0.455 174.601 175.328 -0.453 0.000 1.633 93 H CA -0.279 55.376 56.048 -0.655 0.000 1.288 93 H CB -0.038 29.173 29.762 -0.917 0.000 1.547 93 H HN 0.503 nan 8.280 nan 0.000 0.622 94 I N 0.585 121.065 120.570 -0.149 0.000 2.656 94 I HA 0.499 4.669 4.170 0.001 0.000 0.292 94 I C -0.096 176.037 176.117 0.027 0.000 1.144 94 I CA -0.272 60.957 61.300 -0.118 0.000 1.038 94 I CB 1.997 39.877 38.000 -0.198 0.000 1.244 94 I HN 0.310 nan 8.210 nan 0.000 0.420 95 G N 2.360 111.207 108.800 0.079 0.000 2.911 95 G HA2 0.372 4.333 3.960 0.001 0.000 0.299 95 G HA3 0.372 4.333 3.960 0.001 0.000 0.299 95 G C 0.330 175.329 174.900 0.165 0.000 1.283 95 G CA 0.211 45.409 45.100 0.164 0.000 0.805 95 G HN 0.665 nan 8.290 nan 0.000 0.548 96 S N -0.709 115.069 115.700 0.130 0.000 2.442 96 S HA -0.093 4.377 4.470 0.001 0.000 0.236 96 S C 2.167 176.805 174.600 0.064 0.000 1.007 96 S CA 1.055 59.295 58.200 0.066 0.000 0.965 96 S CB -0.197 63.022 63.200 0.032 0.000 0.773 96 S HN 0.254 nan 8.310 nan 0.000 0.504 97 L N 1.814 123.089 121.223 0.088 0.000 2.353 97 L HA 0.147 4.487 4.340 0.001 0.000 0.220 97 L C 1.962 178.926 176.870 0.156 0.000 1.133 97 L CA 1.076 55.964 54.840 0.079 0.000 0.798 97 L CB -0.965 41.097 42.059 0.006 0.000 0.922 97 L HN 0.315 nan 8.230 nan 0.000 0.445 98 S N -1.494 114.286 115.700 0.132 0.000 2.557 98 S HA 0.105 4.576 4.470 0.001 0.000 0.223 98 S C 0.203 174.917 174.600 0.190 0.000 0.969 98 S CA -0.537 57.724 58.200 0.102 0.000 0.927 98 S CB -0.125 62.954 63.200 -0.202 0.000 0.806 98 S HN 0.299 nan 8.310 nan 0.000 0.489 99 D N 4.113 124.584 120.400 0.118 0.000 2.443 99 D HA 0.140 4.781 4.640 0.001 0.000 0.239 99 D C -2.250 174.110 176.300 0.101 0.000 1.136 99 D CA -1.295 52.730 54.000 0.041 0.000 0.879 99 D CB 0.524 41.291 40.800 -0.055 0.000 1.195 99 D HN 0.131 nan 8.370 nan 0.000 0.443 100 P HA 0.075 nan 4.420 nan 0.000 0.271 100 P C -2.121 175.227 177.300 0.080 0.000 1.220 100 P CA -1.205 61.968 63.100 0.121 0.000 0.768 100 P CB 0.654 32.426 31.700 0.120 0.000 0.848 101 P HA -0.213 nan 4.420 nan 0.000 0.218 101 P C 0.983 178.337 177.300 0.090 0.000 1.150 101 P CA 1.897 65.054 63.100 0.094 0.000 0.841 101 P CB -0.415 31.344 31.700 0.099 0.000 0.784 102 N N -1.348 117.395 118.700 0.072 0.000 2.336 102 N HA 0.099 4.840 4.740 0.001 0.000 0.189 102 N C 0.163 175.691 175.510 0.030 0.000 1.113 102 N CA 0.017 53.103 53.050 0.061 0.000 0.858 102 N CB -0.096 38.420 38.487 0.048 0.000 0.970 102 N HN 0.112 nan 8.380 nan 0.000 0.471 103 I N 0.967 121.544 120.570 0.012 0.000 2.867 103 I HA 0.292 4.462 4.170 0.001 0.000 0.282 103 I C -0.376 175.694 176.117 -0.078 0.000 1.437 103 I CA -0.917 60.361 61.300 -0.037 0.000 0.918 103 I CB 1.103 39.078 38.000 -0.040 0.000 1.612 103 I HN 0.043 nan 8.210 nan 0.000 0.592 104 A N 2.434 125.204 122.820 -0.083 0.000 2.546 104 A HA 0.481 4.801 4.320 0.001 0.000 0.243 104 A C 1.418 178.831 177.584 -0.285 0.000 1.063 104 A CA 1.102 53.033 52.037 -0.177 0.000 0.757 104 A CB -0.096 18.781 19.000 -0.204 0.000 0.991 104 A HN 1.212 nan 8.150 nan 0.000 0.503 105 G N 1.145 109.763 108.800 -0.304 0.000 2.175 105 G HA2 -0.208 3.753 3.960 0.001 0.000 0.244 105 G HA3 -0.208 3.753 3.960 0.001 0.000 0.244 105 G C 0.792 175.601 174.900 -0.151 0.000 0.982 105 G CA 0.595 45.531 45.100 -0.274 0.000 0.641 105 G HN 1.385 nan 8.290 nan 0.000 0.527 106 L N 1.795 122.901 121.223 -0.195 0.000 2.043 106 L HA 0.025 4.365 4.340 0.001 0.000 0.212 106 L C 2.799 179.469 176.870 -0.333 0.000 1.075 106 L CA 3.314 58.015 54.840 -0.232 0.000 0.752 106 L CB -0.879 40.959 42.059 -0.368 0.000 0.891 106 L HN 0.491 nan 8.230 nan 0.000 0.432 107 S N -1.743 113.696 115.700 -0.435 0.000 2.356 107 S HA -0.299 4.172 4.470 0.001 0.000 0.223 107 S C 2.218 176.923 174.600 0.176 0.000 1.032 107 S CA 1.508 59.579 58.200 -0.215 0.000 1.005 107 S CB -0.589 62.608 63.200 -0.005 0.000 0.867 107 S HN 0.783 nan 8.310 nan 0.000 0.449 108 H N -1.397 117.707 119.070 0.057 0.000 2.357 108 H HA -0.103 4.453 4.556 0.000 0.000 0.301 108 H C 2.073 177.578 175.328 0.295 0.000 1.082 108 H CA 1.572 57.718 56.048 0.163 0.000 1.342 108 H CB -0.294 29.494 29.762 0.043 0.000 1.389 108 H HN 0.509 nan 8.280 nan 0.000 0.511 109 F N 1.360 121.258 119.950 -0.086 0.000 2.134 109 F HA -0.222 4.305 4.527 0.001 0.000 0.299 109 F C 2.853 178.706 175.800 0.087 0.000 1.097 109 F CA 1.106 59.026 58.000 -0.133 0.000 1.264 109 F CB -1.350 37.555 39.000 -0.158 0.000 1.001 109 F HN 0.328 nan 8.300 nan 0.000 0.479 110 C N 0.664 120.069 119.300 0.174 0.000 2.413 110 C HA -0.238 4.222 4.460 0.001 0.000 0.276 110 C C 2.920 178.126 174.990 0.361 0.000 1.236 110 C CA 1.815 60.980 59.018 0.245 0.000 1.735 110 C CB -1.430 26.517 27.740 0.345 0.000 2.031 110 C HN 0.654 nan 8.230 nan 0.000 0.474 111 Q N -0.731 119.350 119.800 0.469 0.000 2.077 111 Q HA -0.267 4.074 4.340 0.001 0.000 0.206 111 Q C 2.127 178.457 176.000 0.550 0.000 0.989 111 Q CA 2.055 58.203 55.803 0.574 0.000 0.853 111 Q CB -0.624 28.388 28.738 0.457 0.000 0.907 111 Q HN 0.807 nan 8.270 nan 0.000 0.418 112 H N -0.755 118.484 119.070 0.280 0.000 2.321 112 H HA -0.099 4.457 4.556 0.001 0.000 0.300 112 H C 2.203 177.635 175.328 0.173 0.000 1.087 112 H CA 1.513 57.697 56.048 0.227 0.000 1.319 112 H CB 0.144 29.984 29.762 0.130 0.000 1.379 112 H HN 0.335 nan 8.280 nan 0.000 0.501 113 M N 0.556 120.231 119.600 0.126 0.000 2.213 113 M HA -0.123 4.358 4.480 0.001 0.000 0.263 113 M C 2.443 178.549 176.300 -0.324 0.000 1.062 113 M CA 0.837 56.083 55.300 -0.089 0.000 1.105 113 M CB -0.899 31.662 32.600 -0.066 0.000 1.385 113 M HN 0.255 nan 8.290 nan 0.000 0.417 114 L N -1.332 119.678 121.223 -0.355 0.000 2.349 114 L HA -0.191 4.149 4.340 0.001 0.000 0.220 114 L C 1.851 177.837 176.870 -1.473 0.000 1.130 114 L CA 1.011 55.286 54.840 -0.942 0.000 0.791 114 L CB -0.692 40.857 42.059 -0.850 0.000 0.918 114 L HN 0.169 nan 8.230 nan 0.000 0.444 115 F N -1.067 118.425 119.950 -0.764 0.000 2.743 115 F HA -0.015 4.512 4.527 0.000 0.000 0.297 115 F C 1.569 177.150 175.800 -0.366 0.000 1.131 115 F CA 0.199 57.844 58.000 -0.591 0.000 1.426 115 F CB -0.014 38.943 39.000 -0.071 0.000 1.116 115 F HN -0.040 nan 8.300 nan 0.000 0.583 116 L N -0.076 121.029 121.223 -0.197 0.000 2.627 116 L HA 0.383 4.724 4.340 0.001 0.000 0.232 116 L C 0.734 177.493 176.870 -0.186 0.000 1.150 116 L CA -0.106 54.660 54.840 -0.122 0.000 0.917 116 L CB -0.848 41.159 42.059 -0.085 0.000 1.104 116 L HN 0.114 nan 8.230 nan 0.000 0.445 117 G N -1.414 107.205 108.800 -0.301 0.000 2.379 117 G HA2 0.277 4.237 3.960 0.001 0.000 0.609 117 G HA3 0.277 4.237 3.960 0.001 0.000 0.609 117 G C -0.520 174.181 174.900 -0.332 0.000 1.484 117 G CA -0.457 44.504 45.100 -0.230 0.000 0.921 117 G HN 0.164 nan 8.290 nan 0.000 0.658 118 T N -1.116 113.321 114.554 -0.194 0.000 2.865 118 T HA 0.727 5.077 4.350 0.001 0.000 0.294 118 T C 1.157 175.780 174.700 -0.127 0.000 1.119 118 T CA -0.318 61.660 62.100 -0.203 0.000 1.007 118 T CB 2.055 70.844 68.868 -0.133 0.000 1.225 118 T HN 0.468 nan 8.240 nan 0.000 0.515 119 K N 0.701 121.018 120.400 -0.139 0.000 2.020 119 K HA -0.025 4.296 4.320 0.001 0.000 0.212 119 K C 2.155 178.666 176.600 -0.148 0.000 1.050 119 K CA 1.762 57.975 56.287 -0.124 0.000 0.929 119 K CB -0.364 32.068 32.500 -0.113 0.000 0.714 119 K HN 0.695 nan 8.250 nan 0.000 0.443 120 K N -0.908 119.383 120.400 -0.180 0.000 2.147 120 K HA -0.100 4.220 4.320 0.001 0.000 0.205 120 K C -0.244 175.990 176.600 -0.610 0.000 1.049 120 K CA 1.167 57.225 56.287 -0.381 0.000 0.936 120 K CB 0.182 32.453 32.500 -0.383 0.000 0.722 120 K HN 0.142 nan 8.250 nan 0.000 0.446 121 Y N -0.474 119.780 120.300 -0.076 0.000 2.705 121 Y HA 0.252 4.802 4.550 0.000 0.000 0.355 121 Y C -2.157 173.708 175.900 -0.059 0.000 1.039 121 Y CA -2.272 55.797 58.100 -0.052 0.000 1.233 121 Y CB 1.653 40.094 38.460 -0.032 0.000 1.103 121 Y HN 0.063 nan 8.280 nan 0.000 0.624 122 P HA -0.184 nan 4.420 nan 0.000 0.215 122 P C -0.110 177.200 177.300 0.017 0.000 1.157 122 P CA 1.323 64.418 63.100 -0.007 0.000 0.874 122 P CB 0.276 31.961 31.700 -0.025 0.000 0.790 123 K N 0.945 121.379 120.400 0.056 0.000 2.477 123 K HA -0.133 4.187 4.320 0.001 0.000 0.275 123 K C 1.439 178.075 176.600 0.060 0.000 1.054 123 K CA 0.601 56.925 56.287 0.062 0.000 1.135 123 K CB 0.087 32.641 32.500 0.090 0.000 0.854 123 K HN 0.417 nan 8.250 nan 0.000 0.484 124 E N 2.131 122.357 120.200 0.042 0.000 2.333 124 E HA -0.239 4.112 4.350 0.001 0.000 0.198 124 E C 0.628 177.286 176.600 0.096 0.000 1.007 124 E CA 1.628 58.052 56.400 0.039 0.000 0.845 124 E CB -0.261 29.456 29.700 0.028 0.000 0.766 124 E HN 0.749 nan 8.360 nan 0.000 0.507 125 N N -0.076 118.695 118.700 0.118 0.000 2.197 125 N HA 0.008 4.748 4.740 0.001 0.000 0.228 125 N C 1.247 176.856 175.510 0.165 0.000 1.212 125 N CA -0.040 53.106 53.050 0.161 0.000 0.883 125 N CB 0.458 39.031 38.487 0.143 0.000 1.107 125 N HN -0.063 nan 8.380 nan 0.000 0.519 126 E N 1.271 121.565 120.200 0.157 0.000 2.085 126 E HA -0.289 4.062 4.350 0.001 0.000 0.194 126 E C 1.363 178.060 176.600 0.162 0.000 0.994 126 E CA 1.538 58.029 56.400 0.151 0.000 0.801 126 E CB -0.417 29.378 29.700 0.158 0.000 0.743 126 E HN 0.628 nan 8.360 nan 0.000 0.453 127 Y N 0.850 121.192 120.300 0.070 0.000 2.089 127 Y HA -0.236 4.314 4.550 0.001 0.000 0.282 127 Y C 2.590 178.582 175.900 0.153 0.000 1.139 127 Y CA 2.689 60.838 58.100 0.083 0.000 1.123 127 Y CB -0.572 38.031 38.460 0.238 0.000 0.980 127 Y HN 0.233 nan 8.280 nan 0.000 0.493 128 S N -0.206 115.596 115.700 0.171 0.000 2.399 128 S HA -0.270 4.200 4.470 0.001 0.000 0.231 128 S C 1.983 176.587 174.600 0.007 0.000 1.022 128 S CA 1.373 59.592 58.200 0.033 0.000 0.983 128 S CB -0.639 62.644 63.200 0.138 0.000 0.803 128 S HN 0.731 nan 8.310 nan 0.000 0.480 129 Q N -0.006 119.835 119.800 0.068 0.000 2.049 129 Q HA -0.083 4.258 4.340 0.001 0.000 0.198 129 Q C 1.935 177.944 176.000 0.015 0.000 0.971 129 Q CA 1.315 57.148 55.803 0.050 0.000 0.833 129 Q CB -0.288 28.497 28.738 0.079 0.000 0.896 129 Q HN 0.626 nan 8.270 nan 0.000 0.434 130 F N 1.139 121.038 119.950 -0.085 0.000 2.069 130 F HA -0.262 4.265 4.527 0.001 0.000 0.298 130 F C 1.795 177.568 175.800 -0.044 0.000 1.113 130 F CA 1.595 59.558 58.000 -0.062 0.000 1.214 130 F CB -0.249 38.672 39.000 -0.130 0.000 0.978 130 F HN 0.060 nan 8.300 nan 0.000 0.474 131 L N -0.628 120.592 121.223 -0.004 0.000 2.012 131 L HA -0.265 4.076 4.340 0.001 0.000 0.210 131 L C 2.786 179.575 176.870 -0.136 0.000 1.073 131 L CA 1.664 56.447 54.840 -0.095 0.000 0.748 131 L CB -1.165 40.794 42.059 -0.165 0.000 0.891 131 L HN 0.258 nan 8.230 nan 0.000 0.431 132 S N -0.169 115.459 115.700 -0.120 0.000 2.383 132 S HA -0.212 4.258 4.470 0.001 0.000 0.229 132 S C 1.708 176.207 174.600 -0.168 0.000 1.030 132 S CA 1.493 59.634 58.200 -0.098 0.000 1.002 132 S CB -0.203 62.972 63.200 -0.042 0.000 0.829 132 S HN 0.480 nan 8.310 nan 0.000 0.467 133 E N -0.653 119.341 120.200 -0.344 0.000 2.511 133 E HA -0.010 4.340 4.350 0.001 0.000 0.196 133 E C 0.128 176.155 176.600 -0.956 0.000 1.066 133 E CA 0.424 56.435 56.400 -0.647 0.000 0.871 133 E CB 0.028 29.251 29.700 -0.795 0.000 0.863 133 E HN 0.641 nan 8.360 nan 0.000 0.520 134 H N -0.481 118.324 119.070 -0.441 0.000 2.562 134 H HA 0.350 4.906 4.556 0.000 0.000 0.249 134 H C 0.261 175.472 175.328 -0.195 0.000 1.195 134 H CA 0.208 56.000 56.048 -0.425 0.000 0.938 134 H CB 0.853 30.172 29.762 -0.738 0.000 1.891 134 H HN 0.097 nan 8.280 nan 0.000 0.595 135 A N 0.665 123.435 122.820 -0.082 0.000 2.783 135 A HA -0.157 4.163 4.320 0.001 0.000 0.292 135 A C 1.205 178.805 177.584 0.027 0.000 1.495 135 A CA 0.935 52.963 52.037 -0.016 0.000 0.787 135 A CB -1.814 17.192 19.000 0.010 0.000 1.017 135 A HN 0.600 nan 8.150 nan 0.000 0.516 136 G N -1.756 107.053 108.800 0.014 0.000 2.511 136 G HA2 0.725 4.686 3.960 0.001 0.000 0.316 136 G HA3 0.725 4.686 3.960 0.001 0.000 0.316 136 G C -0.179 174.758 174.900 0.062 0.000 1.210 136 G CA 0.332 45.473 45.100 0.068 0.000 0.969 136 G HN 1.485 nan 8.290 nan 0.000 0.492 137 S N -1.624 114.151 115.700 0.125 0.000 2.537 137 S HA 0.716 5.186 4.470 0.001 0.000 0.270 137 S C -1.002 173.728 174.600 0.217 0.000 1.142 137 S CA -0.382 57.893 58.200 0.124 0.000 0.870 137 S CB 1.827 65.108 63.200 0.134 0.000 1.112 137 S HN 1.073 nan 8.310 nan 0.000 0.466 138 S N 2.454 118.269 115.700 0.192 0.000 2.550 138 S HA 0.805 5.276 4.470 0.001 0.000 0.270 138 S C -1.624 173.066 174.600 0.149 0.000 1.145 138 S CA -0.545 57.835 58.200 0.300 0.000 0.852 138 S CB 1.610 65.111 63.200 0.500 0.000 1.119 138 S HN 0.784 nan 8.310 nan 0.000 0.465 139 N N 0.175 118.851 118.700 -0.040 0.000 3.339 139 N HA 0.818 5.558 4.740 0.001 0.000 0.275 139 N C -1.952 173.295 175.510 -0.437 0.000 1.514 139 N CA 0.227 53.148 53.050 -0.214 0.000 0.879 139 N CB 1.596 40.063 38.487 -0.032 0.000 1.557 139 N HN 1.097 nan 8.380 nan 0.000 0.524 140 A N -0.044 122.699 122.820 -0.128 0.000 2.597 140 A HA 0.663 4.983 4.320 0.001 0.000 0.292 140 A C -1.967 175.764 177.584 0.244 0.000 1.057 140 A CA -0.632 51.402 52.037 -0.005 0.000 0.674 140 A CB 0.527 19.584 19.000 0.094 0.000 1.278 140 A HN 0.631 nan 8.150 nan 0.000 0.416 141 F N -1.368 118.669 119.950 0.146 0.000 2.643 141 F HA 0.906 5.433 4.527 0.000 0.000 0.314 141 F C -0.463 175.425 175.800 0.145 0.000 1.096 141 F CA -0.774 57.330 58.000 0.173 0.000 0.953 141 F CB 1.745 40.865 39.000 0.200 0.000 1.345 141 F HN 0.398 nan 8.300 nan 0.000 0.468 142 T N 1.588 116.360 114.554 0.363 0.000 2.840 142 T HA 0.584 4.934 4.350 0.001 0.000 0.287 142 T C -0.483 174.396 174.700 0.299 0.000 0.991 142 T CA -0.628 61.630 62.100 0.263 0.000 0.964 142 T CB 1.302 70.319 68.868 0.249 0.000 0.954 142 T HN 0.946 nan 8.240 nan 0.000 0.438 143 S N 1.996 117.892 115.700 0.327 0.000 2.753 143 S HA 0.735 5.205 4.470 0.001 0.000 0.302 143 S C 1.774 176.513 174.600 0.232 0.000 1.104 143 S CA -0.204 58.170 58.200 0.289 0.000 0.968 143 S CB 0.648 64.061 63.200 0.355 0.000 1.278 143 S HN 0.659 nan 8.310 nan 0.000 0.549 144 G N -0.095 108.839 108.800 0.224 0.000 2.418 144 G HA2 -0.043 3.918 3.960 0.001 0.000 0.217 144 G HA3 -0.043 3.918 3.960 0.001 0.000 0.217 144 G C 0.771 175.769 174.900 0.162 0.000 1.158 144 G CA 0.721 45.928 45.100 0.180 0.000 0.771 144 G HN 0.803 nan 8.290 nan 0.000 0.545 145 E N -0.684 119.627 120.200 0.185 0.000 2.660 145 E HA 0.204 4.555 4.350 0.001 0.000 0.216 145 E C -0.515 175.975 176.600 -0.183 0.000 0.986 145 E CA -0.253 56.192 56.400 0.075 0.000 1.037 145 E CB 0.636 30.418 29.700 0.136 0.000 1.041 145 E HN 0.409 nan 8.360 nan 0.000 0.480 146 H N -0.254 118.903 119.070 0.145 0.000 2.930 146 H HA 0.356 4.912 4.556 0.001 0.000 0.371 146 H C -0.810 174.544 175.328 0.044 0.000 1.169 146 H CA -0.554 55.533 56.048 0.065 0.000 1.157 146 H CB 2.421 32.221 29.762 0.063 0.000 1.789 146 H HN -0.137 nan 8.280 nan 0.000 0.547 147 T N 2.468 117.083 114.554 0.102 0.000 2.906 147 T HA 0.154 4.505 4.350 0.001 0.000 0.302 147 T C -0.133 174.488 174.700 -0.132 0.000 1.002 147 T CA -0.821 61.276 62.100 -0.006 0.000 0.988 147 T CB 0.849 69.846 68.868 0.215 0.000 0.972 147 T HN 0.406 nan 8.240 nan 0.000 0.447 148 N N 2.807 121.189 118.700 -0.530 0.000 2.417 148 N HA 0.368 5.108 4.740 0.001 0.000 0.274 148 N C -1.565 173.794 175.510 -0.252 0.000 0.987 148 N CA -0.344 52.469 53.050 -0.395 0.000 0.912 148 N CB 1.088 39.063 38.487 -0.852 0.000 1.177 148 N HN 0.463 nan 8.380 nan 0.000 0.490 149 Y N 2.972 123.463 120.300 0.318 0.000 2.393 149 Y HA 0.429 4.980 4.550 0.000 0.000 0.341 149 Y C -0.300 175.970 175.900 0.616 0.000 0.988 149 Y CA -0.750 57.634 58.100 0.472 0.000 1.078 149 Y CB 1.226 40.043 38.460 0.594 0.000 1.203 149 Y HN 0.384 nan 8.280 nan 0.000 0.453 150 Y N 0.920 121.602 120.300 0.638 0.000 2.609 150 Y HA 0.820 5.370 4.550 0.000 0.000 0.336 150 Y C -1.591 174.529 175.900 0.368 0.000 1.129 150 Y CA -2.506 55.780 58.100 0.310 0.000 1.040 150 Y CB 1.580 40.153 38.460 0.189 0.000 1.310 150 Y HN 0.488 nan 8.280 nan 0.000 0.460 151 F N -0.322 119.775 119.950 0.245 0.000 2.741 151 F HA 0.798 5.326 4.527 0.000 0.000 0.311 151 F C -2.173 173.697 175.800 0.118 0.000 1.149 151 F CA -1.054 57.056 58.000 0.184 0.000 0.930 151 F CB 1.682 40.748 39.000 0.110 0.000 1.312 151 F HN 0.640 nan 8.300 nan 0.000 0.450 152 D N 0.883 121.481 120.400 0.330 0.000 2.523 152 D HA 0.778 5.418 4.640 0.001 0.000 0.236 152 D C -1.531 174.987 176.300 0.362 0.000 1.094 152 D CA -0.995 53.128 54.000 0.204 0.000 0.942 152 D CB 2.090 42.964 40.800 0.122 0.000 1.447 152 D HN 0.983 nan 8.370 nan 0.000 0.479 153 V N -0.797 119.283 119.914 0.277 0.000 3.300 153 V HA 0.465 4.586 4.120 0.001 0.000 0.289 153 V C -0.977 175.225 176.094 0.180 0.000 1.533 153 V CA -0.608 61.832 62.300 0.234 0.000 1.059 153 V CB 1.846 33.846 31.823 0.294 0.000 1.161 153 V HN 0.886 nan 8.190 nan 0.000 0.462 154 S N 1.387 117.173 115.700 0.144 0.000 2.563 154 S HA 0.009 4.480 4.470 0.001 0.000 0.294 154 S C 1.261 175.886 174.600 0.041 0.000 1.279 154 S CA 1.058 59.312 58.200 0.091 0.000 1.069 154 S CB 0.035 63.301 63.200 0.111 0.000 0.828 154 S HN 1.469 nan 8.310 nan 0.000 0.497 155 H N 2.663 121.775 119.070 0.070 0.000 2.539 155 H HA -0.018 4.538 4.556 0.000 0.000 0.292 155 H C 1.285 176.607 175.328 -0.009 0.000 1.069 155 H CA 1.918 57.988 56.048 0.038 0.000 1.244 155 H CB -0.117 29.655 29.762 0.017 0.000 1.365 155 H HN 0.789 nan 8.280 nan 0.000 0.575 156 E N 0.115 120.001 120.200 -0.524 0.000 2.385 156 E HA -0.044 4.306 4.350 0.001 0.000 0.194 156 E C 0.443 176.732 176.600 -0.518 0.000 1.013 156 E CA 0.339 56.434 56.400 -0.509 0.000 0.866 156 E CB 0.227 29.521 29.700 -0.678 0.000 0.832 156 E HN 0.799 nan 8.360 nan 0.000 0.500 157 H N 0.521 119.543 119.070 -0.081 0.000 2.490 157 H HA 0.155 4.711 4.556 0.001 0.000 0.285 157 H C 1.496 176.870 175.328 0.078 0.000 1.127 157 H CA -0.130 55.896 56.048 -0.036 0.000 0.993 157 H CB 0.572 30.207 29.762 -0.213 0.000 1.653 157 H HN 0.126 nan 8.280 nan 0.000 0.557 158 L N 0.384 121.696 121.223 0.147 0.000 2.017 158 L HA -0.168 4.172 4.340 0.001 0.000 0.208 158 L C 2.319 179.288 176.870 0.166 0.000 1.073 158 L CA 1.699 56.659 54.840 0.199 0.000 0.745 158 L CB 0.019 42.170 42.059 0.154 0.000 0.894 158 L HN 0.329 nan 8.230 nan 0.000 0.432 159 E N -0.531 119.730 120.200 0.102 0.000 2.051 159 E HA -0.203 4.148 4.350 0.001 0.000 0.192 159 E C 2.010 178.609 176.600 -0.003 0.000 0.991 159 E CA 1.376 57.814 56.400 0.064 0.000 0.799 159 E CB -0.287 29.439 29.700 0.044 0.000 0.748 159 E HN 0.576 nan 8.360 nan 0.000 0.449 160 G N 0.501 109.292 108.800 -0.015 0.000 2.440 160 G HA2 -0.303 3.658 3.960 0.001 0.000 0.218 160 G HA3 -0.303 3.658 3.960 0.001 0.000 0.218 160 G C 1.644 176.205 174.900 -0.564 0.000 1.154 160 G CA 1.074 46.028 45.100 -0.244 0.000 0.767 160 G HN 0.437 nan 8.290 nan 0.000 0.552 161 A N 0.346 122.976 122.820 -0.317 0.000 1.873 161 A HA 0.138 4.458 4.320 0.001 0.000 0.215 161 A C 2.409 179.740 177.584 -0.423 0.000 1.186 161 A CA 1.203 52.954 52.037 -0.478 0.000 0.616 161 A CB -0.465 18.316 19.000 -0.365 0.000 0.823 161 A HN 0.338 nan 8.150 nan 0.000 0.442 162 L N -0.433 120.748 121.223 -0.069 0.000 2.046 162 L HA -0.213 4.127 4.340 0.001 0.000 0.208 162 L C 2.443 179.345 176.870 0.055 0.000 1.077 162 L CA 2.248 57.191 54.840 0.172 0.000 0.747 162 L CB -0.536 41.692 42.059 0.282 0.000 0.896 162 L HN 0.509 nan 8.230 nan 0.000 0.432 163 D N 0.144 120.503 120.400 -0.068 0.000 2.087 163 D HA -0.236 4.405 4.640 0.001 0.000 0.192 163 D C 2.217 178.444 176.300 -0.122 0.000 0.993 163 D CA 1.659 55.608 54.000 -0.085 0.000 0.828 163 D CB 0.034 40.798 40.800 -0.060 0.000 0.968 163 D HN 0.129 nan 8.370 nan 0.000 0.448 164 R N -1.083 119.229 120.500 -0.313 0.000 2.105 164 R HA -0.117 4.223 4.340 0.001 0.000 0.239 164 R C 2.450 178.562 176.300 -0.314 0.000 1.135 164 R CA 1.200 57.043 56.100 -0.428 0.000 0.967 164 R CB -0.566 29.344 30.300 -0.650 0.000 0.861 164 R HN 0.301 nan 8.270 nan 0.000 0.442 165 F N 1.190 120.850 119.950 -0.483 0.000 2.146 165 F HA -0.098 4.429 4.527 0.001 0.000 0.298 165 F C 2.310 177.786 175.800 -0.541 0.000 1.096 165 F CA 1.303 58.842 58.000 -0.768 0.000 1.275 165 F CB -0.187 38.672 39.000 -0.235 0.000 1.008 165 F HN -0.021 nan 8.300 nan 0.000 0.480 166 A N -0.052 122.692 122.820 -0.126 0.000 1.972 166 A HA -0.209 4.112 4.320 0.001 0.000 0.219 166 A C 2.012 179.473 177.584 -0.205 0.000 1.169 166 A CA 1.481 53.405 52.037 -0.188 0.000 0.635 166 A CB -0.651 18.023 19.000 -0.544 0.000 0.810 166 A HN 0.494 nan 8.150 nan 0.000 0.446 167 Q N -0.904 118.774 119.800 -0.204 0.000 2.226 167 Q HA -0.131 4.209 4.340 0.001 0.000 0.204 167 Q C 1.606 177.479 176.000 -0.212 0.000 0.975 167 Q CA 0.916 56.644 55.803 -0.124 0.000 0.866 167 Q CB -0.667 28.075 28.738 0.007 0.000 0.915 167 Q HN 0.692 nan 8.270 nan 0.000 0.440 168 F N -0.056 119.375 119.950 -0.864 0.000 2.202 168 F HA -0.158 4.369 4.527 0.001 0.000 0.301 168 F C 1.297 176.474 175.800 -1.038 0.000 1.082 168 F CA 0.604 57.860 58.000 -1.241 0.000 1.313 168 F CB -0.571 37.194 39.000 -2.057 0.000 1.024 168 F HN 0.026 nan 8.300 nan 0.000 0.495 169 F N -1.405 118.541 119.950 -0.006 0.000 2.750 169 F HA 0.311 4.838 4.527 0.000 0.000 0.297 169 F C 1.185 177.054 175.800 0.115 0.000 1.138 169 F CA 0.035 58.120 58.000 0.141 0.000 1.346 169 F CB -0.502 38.568 39.000 0.117 0.000 0.965 169 F HN -0.151 nan 8.300 nan 0.000 0.514 170 L N -1.160 120.116 121.223 0.088 0.000 2.658 170 L HA 0.163 4.503 4.340 0.001 0.000 0.222 170 L C 0.464 177.326 176.870 -0.012 0.000 1.033 170 L CA 0.160 55.034 54.840 0.057 0.000 0.949 170 L CB 0.992 43.052 42.059 0.002 0.000 1.698 170 L HN 0.268 nan 8.230 nan 0.000 0.498 171 C N -0.852 118.382 119.300 -0.110 0.000 3.370 171 C HA 0.424 4.884 4.460 0.001 0.000 0.190 171 C C -2.582 172.239 174.990 -0.282 0.000 1.647 171 C CA -1.919 57.007 59.018 -0.153 0.000 1.277 171 C CB -0.601 27.071 27.740 -0.114 0.000 2.037 171 C HN -0.015 nan 8.230 nan 0.000 0.537 172 P HA 0.081 nan 4.420 nan 0.000 0.267 172 P C 0.714 177.653 177.300 -0.601 0.000 1.205 172 P CA 0.340 62.986 63.100 -0.757 0.000 0.765 172 P CB 1.313 32.253 31.700 -1.267 0.000 0.828 173 L N 4.483 125.387 121.223 -0.531 0.000 2.044 173 L HA 0.084 4.424 4.340 0.001 0.000 0.205 173 L C 1.331 178.099 176.870 -0.169 0.000 1.075 173 L CA 1.134 55.800 54.840 -0.290 0.000 0.747 173 L CB -1.403 40.521 42.059 -0.226 0.000 0.903 173 L HN 0.400 nan 8.230 nan 0.000 0.435 174 F N -0.082 119.724 119.950 -0.239 0.000 3.074 174 F HA -0.268 4.259 4.527 0.001 0.000 0.287 174 F C 0.555 176.259 175.800 -0.160 0.000 0.932 174 F CA 0.186 58.050 58.000 -0.227 0.000 0.995 174 F CB -1.722 37.140 39.000 -0.229 0.000 0.966 174 F HN 0.173 nan 8.300 nan 0.000 0.721 175 D N 1.052 121.438 120.400 -0.023 0.000 2.583 175 D HA -0.038 4.602 4.640 0.001 0.000 0.232 175 D C 1.266 177.569 176.300 0.005 0.000 1.128 175 D CA 0.741 54.731 54.000 -0.017 0.000 0.859 175 D CB 0.898 41.675 40.800 -0.038 0.000 1.169 175 D HN 0.378 nan 8.370 nan 0.000 0.481 176 E N 2.334 122.538 120.200 0.007 0.000 2.058 176 E HA -0.228 4.122 4.350 0.001 0.000 0.194 176 E C 1.739 178.350 176.600 0.018 0.000 0.997 176 E CA 1.827 58.235 56.400 0.013 0.000 0.801 176 E CB -0.419 29.285 29.700 0.007 0.000 0.746 176 E HN 0.394 nan 8.360 nan 0.000 0.450 177 S N -1.335 114.372 115.700 0.011 0.000 2.382 177 S HA -0.153 4.318 4.470 0.001 0.000 0.228 177 S C 2.116 176.729 174.600 0.023 0.000 1.027 177 S CA 1.337 59.546 58.200 0.015 0.000 0.991 177 S CB -0.683 62.522 63.200 0.008 0.000 0.823 177 S HN 0.562 nan 8.310 nan 0.000 0.469 178 C N 1.428 120.737 119.300 0.015 0.000 2.440 178 C HA 0.062 4.522 4.460 0.001 0.000 0.278 178 C C 2.656 177.674 174.990 0.047 0.000 1.295 178 C CA 0.968 59.998 59.018 0.020 0.000 1.738 178 C CB -1.098 26.636 27.740 -0.009 0.000 1.987 178 C HN 0.712 nan 8.230 nan 0.000 0.492 179 K N 1.087 121.514 120.400 0.045 0.000 2.026 179 K HA -0.190 4.131 4.320 0.001 0.000 0.208 179 K C 1.430 178.153 176.600 0.205 0.000 1.048 179 K CA 1.953 58.304 56.287 0.106 0.000 0.929 179 K CB -0.292 32.252 32.500 0.074 0.000 0.713 179 K HN 0.383 nan 8.250 nan 0.000 0.439 180 D N 0.139 120.607 120.400 0.114 0.000 2.263 180 D HA -0.117 4.524 4.640 0.001 0.000 0.208 180 D C 1.988 178.332 176.300 0.073 0.000 0.971 180 D CA 0.939 54.989 54.000 0.084 0.000 0.867 180 D CB 0.081 40.908 40.800 0.046 0.000 0.929 180 D HN 0.291 nan 8.370 nan 0.000 0.492 181 R N 0.086 120.632 120.500 0.077 0.000 2.064 181 R HA -0.018 4.322 4.340 0.001 0.000 0.221 181 R C 2.048 178.399 176.300 0.085 0.000 1.136 181 R CA 0.476 56.612 56.100 0.059 0.000 0.980 181 R CB -0.038 30.286 30.300 0.040 0.000 0.876 181 R HN -0.073 nan 8.270 nan 0.000 0.437 182 E N 0.897 121.182 120.200 0.141 0.000 2.267 182 E HA -0.138 4.213 4.350 0.001 0.000 0.197 182 E C 1.671 178.397 176.600 0.211 0.000 0.998 182 E CA 0.583 57.105 56.400 0.202 0.000 0.830 182 E CB -0.187 29.663 29.700 0.250 0.000 0.751 182 E HN 0.084 nan 8.360 nan 0.000 0.491 183 V N 0.465 120.492 119.914 0.187 0.000 2.490 183 V HA -0.305 3.816 4.120 0.001 0.000 0.250 183 V C 1.233 177.245 176.094 -0.137 0.000 1.061 183 V CA 2.406 64.619 62.300 -0.145 0.000 1.064 183 V CB -0.465 31.243 31.823 -0.192 0.000 0.670 183 V HN 0.359 nan 8.190 nan 0.000 0.461 184 N N 0.397 119.076 118.700 -0.035 0.000 2.244 184 N HA -0.025 4.715 4.740 0.001 0.000 0.183 184 N C 1.862 177.368 175.510 -0.006 0.000 1.016 184 N CA 1.293 54.328 53.050 -0.024 0.000 0.866 184 N CB -0.385 38.101 38.487 -0.001 0.000 0.980 184 N HN 0.567 nan 8.380 nan 0.000 0.430 185 A N 0.368 123.203 122.820 0.024 0.000 1.898 185 A HA -0.052 4.268 4.320 0.001 0.000 0.216 185 A C 2.282 179.880 177.584 0.023 0.000 1.181 185 A CA 1.033 53.136 52.037 0.111 0.000 0.620 185 A CB -0.665 18.463 19.000 0.214 0.000 0.819 185 A HN 0.103 nan 8.150 nan 0.000 0.442 186 V N 0.363 120.163 119.914 -0.191 0.000 2.358 186 V HA -0.239 3.881 4.120 0.001 0.000 0.246 186 V C 2.299 178.294 176.094 -0.165 0.000 1.047 186 V CA 2.435 64.541 62.300 -0.323 0.000 1.035 186 V CB -0.753 30.750 31.823 -0.533 0.000 0.658 186 V HN 0.719 nan 8.190 nan 0.000 0.452 187 D N -0.359 119.966 120.400 -0.125 0.000 2.097 187 D HA -0.196 4.444 4.640 0.001 0.000 0.195 187 D C 2.373 178.667 176.300 -0.009 0.000 0.989 187 D CA 1.593 55.570 54.000 -0.038 0.000 0.827 187 D CB -0.131 40.650 40.800 -0.033 0.000 0.966 187 D HN 0.314 nan 8.370 nan 0.000 0.456 188 S N -0.711 114.980 115.700 -0.014 0.000 2.399 188 S HA -0.211 4.260 4.470 0.001 0.000 0.231 188 S C 1.861 176.417 174.600 -0.073 0.000 1.022 188 S CA 1.520 59.721 58.200 0.002 0.000 0.983 188 S CB -0.421 62.825 63.200 0.076 0.000 0.803 188 S HN 0.393 nan 8.310 nan 0.000 0.480 189 E N -0.584 119.500 120.200 -0.192 0.000 2.072 189 E HA -0.237 4.113 4.350 0.001 0.000 0.191 189 E C 1.981 178.388 176.600 -0.322 0.000 0.985 189 E CA 1.344 57.447 56.400 -0.495 0.000 0.801 189 E CB -0.325 28.979 29.700 -0.660 0.000 0.750 189 E HN 0.765 nan 8.360 nan 0.000 0.452 190 H N 0.677 119.590 119.070 -0.262 0.000 2.389 190 H HA -0.047 4.509 4.556 0.000 0.000 0.299 190 H C 1.873 177.089 175.328 -0.187 0.000 1.081 190 H CA 1.777 57.692 56.048 -0.221 0.000 1.345 190 H CB 0.105 29.820 29.762 -0.080 0.000 1.393 190 H HN 0.129 nan 8.280 nan 0.000 0.520 191 E N 0.779 120.820 120.200 -0.265 0.000 2.118 191 E HA -0.185 4.165 4.350 0.001 0.000 0.195 191 E C 2.100 178.592 176.600 -0.181 0.000 0.992 191 E CA 1.516 57.768 56.400 -0.246 0.000 0.804 191 E CB -0.179 29.467 29.700 -0.090 0.000 0.741 191 E HN 0.788 nan 8.360 nan 0.000 0.458 192 K N 0.331 120.637 120.400 -0.157 0.000 2.365 192 K HA -0.033 4.287 4.320 0.001 0.000 0.199 192 K C 1.216 177.753 176.600 -0.104 0.000 1.045 192 K CA 1.027 57.260 56.287 -0.091 0.000 0.962 192 K CB 0.100 32.550 32.500 -0.084 0.000 0.759 192 K HN -0.079 nan 8.250 nan 0.000 0.469 193 N N 0.715 119.258 118.700 -0.261 0.000 2.388 193 N HA -0.013 4.727 4.740 0.001 0.000 0.176 193 N C 1.658 177.188 175.510 0.033 0.000 1.062 193 N CA 0.404 53.289 53.050 -0.274 0.000 0.895 193 N CB 0.191 38.205 38.487 -0.789 0.000 1.018 193 N HN -0.034 nan 8.380 nan 0.000 0.456 194 V N 1.357 121.182 119.914 -0.149 0.000 2.317 194 V HA -0.191 3.929 4.120 0.001 0.000 0.251 194 V C 1.719 177.903 176.094 0.151 0.000 1.065 194 V CA 1.373 63.638 62.300 -0.060 0.000 1.049 194 V CB -0.273 31.388 31.823 -0.270 0.000 0.651 194 V HN 0.305 nan 8.190 nan 0.000 0.450 195 M N -0.379 119.259 119.600 0.065 0.000 2.453 195 M HA 0.208 4.688 4.480 0.001 0.000 0.239 195 M C 0.578 176.927 176.300 0.082 0.000 1.151 195 M CA -0.026 55.267 55.300 -0.012 0.000 0.989 195 M CB -1.366 31.020 32.600 -0.356 0.000 1.548 195 M HN 0.374 nan 8.290 nan 0.000 0.479 196 N N 1.323 120.138 118.700 0.192 0.000 2.414 196 N HA 0.049 4.790 4.740 0.001 0.000 0.256 196 N C 0.572 176.198 175.510 0.193 0.000 1.029 196 N CA -0.121 53.067 53.050 0.230 0.000 0.948 196 N CB 1.223 39.920 38.487 0.350 0.000 1.102 196 N HN 0.012 nan 8.380 nan 0.000 0.496 197 D N 2.919 123.391 120.400 0.121 0.000 2.149 197 D HA -0.197 4.444 4.640 0.001 0.000 0.198 197 D C 1.603 177.918 176.300 0.024 0.000 0.990 197 D CA 1.102 55.141 54.000 0.065 0.000 0.839 197 D CB -0.057 40.781 40.800 0.064 0.000 0.948 197 D HN 0.707 nan 8.370 nan 0.000 0.460 198 A N 0.315 123.160 122.820 0.041 0.000 1.877 198 A HA -0.162 4.159 4.320 0.001 0.000 0.216 198 A C 2.065 179.559 177.584 -0.150 0.000 1.186 198 A CA 1.094 53.083 52.037 -0.080 0.000 0.620 198 A CB -1.120 17.807 19.000 -0.121 0.000 0.822 198 A HN 0.254 nan 8.150 nan 0.000 0.443 199 W N -0.213 121.030 121.300 -0.095 0.000 2.388 199 W HA -0.009 4.651 4.660 0.000 0.000 0.294 199 W C 2.559 178.783 176.519 -0.492 0.000 1.212 199 W CA 1.241 58.498 57.345 -0.147 0.000 1.271 199 W CB -0.206 29.270 29.460 0.026 0.000 1.126 199 W HN 0.238 nan 8.180 nan 0.000 0.535 200 R N -0.483 119.844 120.500 -0.289 0.000 2.083 200 R HA -0.176 4.164 4.340 0.001 0.000 0.237 200 R C 1.995 178.093 176.300 -0.337 0.000 1.137 200 R CA 1.331 57.151 56.100 -0.467 0.000 0.951 200 R CB -1.019 29.199 30.300 -0.136 0.000 0.851 200 R HN 0.103 nan 8.270 nan 0.000 0.434 201 L N -0.171 120.907 121.223 -0.242 0.000 2.093 201 L HA -0.107 4.234 4.340 0.001 0.000 0.208 201 L C 2.012 178.709 176.870 -0.288 0.000 1.085 201 L CA 1.400 56.063 54.840 -0.295 0.000 0.755 201 L CB -0.820 41.026 42.059 -0.355 0.000 0.904 201 L HN 0.091 nan 8.230 nan 0.000 0.435 202 F N 0.208 119.933 119.950 -0.375 0.000 2.069 202 F HA -0.341 4.187 4.527 0.001 0.000 0.298 202 F C 2.690 178.314 175.800 -0.293 0.000 1.113 202 F CA 1.934 59.727 58.000 -0.344 0.000 1.214 202 F CB -0.001 38.771 39.000 -0.380 0.000 0.978 202 F HN 0.121 nan 8.300 nan 0.000 0.474 203 Q N 0.681 120.292 119.800 -0.315 0.000 2.172 203 Q HA -0.117 4.223 4.340 0.001 0.000 0.200 203 Q C 2.194 178.012 176.000 -0.303 0.000 0.964 203 Q CA 1.432 57.061 55.803 -0.290 0.000 0.855 203 Q CB -0.536 28.222 28.738 0.034 0.000 0.918 203 Q HN 0.642 nan 8.270 nan 0.000 0.444 204 L N 0.218 121.241 121.223 -0.332 0.000 2.042 204 L HA -0.234 4.107 4.340 0.001 0.000 0.210 204 L C 2.270 178.889 176.870 -0.417 0.000 1.076 204 L CA 2.012 56.614 54.840 -0.395 0.000 0.749 204 L CB -0.328 41.449 42.059 -0.469 0.000 0.893 204 L HN 0.448 nan 8.230 nan 0.000 0.432 205 E N -0.038 119.920 120.200 -0.404 0.000 2.077 205 E HA -0.267 4.084 4.350 0.001 0.000 0.193 205 E C 2.124 178.636 176.600 -0.146 0.000 0.989 205 E CA 1.351 57.583 56.400 -0.280 0.000 0.800 205 E CB 0.127 29.688 29.700 -0.231 0.000 0.746 205 E HN 0.452 nan 8.360 nan 0.000 0.452 206 K N -0.070 120.077 120.400 -0.422 0.000 2.057 206 K HA -0.074 4.247 4.320 0.001 0.000 0.206 206 K C 2.025 178.512 176.600 -0.188 0.000 1.050 206 K CA 1.096 57.057 56.287 -0.543 0.000 0.935 206 K CB -0.080 31.924 32.500 -0.827 0.000 0.715 206 K HN 0.083 nan 8.250 nan 0.000 0.439 207 A N 0.477 123.205 122.820 -0.152 0.000 2.209 207 A HA -0.052 4.268 4.320 0.001 0.000 0.212 207 A C 1.807 179.378 177.584 -0.023 0.000 1.158 207 A CA 1.193 53.205 52.037 -0.042 0.000 0.742 207 A CB -0.227 18.759 19.000 -0.025 0.000 0.790 207 A HN 0.173 nan 8.150 nan 0.000 0.472 208 T N -0.963 113.547 114.554 -0.073 0.000 3.069 208 T HA 0.369 4.720 4.350 0.001 0.000 0.252 208 T C 0.920 175.639 174.700 0.033 0.000 1.053 208 T CA 0.629 62.695 62.100 -0.057 0.000 0.964 208 T CB -0.062 68.570 68.868 -0.394 0.000 1.005 208 T HN 0.498 nan 8.240 nan 0.000 0.532 209 G N 0.879 109.731 108.800 0.087 0.000 2.828 209 G HA2 0.352 4.312 3.960 0.001 0.000 0.244 209 G HA3 0.352 4.312 3.960 0.001 0.000 0.244 209 G C -0.389 174.322 174.900 -0.316 0.000 1.365 209 G CA -0.636 44.434 45.100 -0.050 0.000 1.041 209 G HN 0.182 nan 8.290 nan 0.000 0.560 210 N N 1.463 119.950 118.700 -0.355 0.000 2.414 210 N HA 0.053 4.794 4.740 0.001 0.000 0.268 210 N C -0.968 174.614 175.510 0.120 0.000 1.286 210 N CA -1.454 51.614 53.050 0.029 0.000 0.896 210 N CB 1.380 39.975 38.487 0.180 0.000 1.093 210 N HN 0.056 nan 8.380 nan 0.000 0.480 211 P HA -0.093 nan 4.420 nan 0.000 0.226 211 P C 0.315 177.705 177.300 0.149 0.000 1.153 211 P CA 1.129 64.314 63.100 0.141 0.000 0.777 211 P CB 0.396 32.179 31.700 0.138 0.000 0.794 212 K N -1.650 118.846 120.400 0.160 0.000 2.400 212 K HA -0.004 4.316 4.320 0.001 0.000 0.194 212 K C 1.065 177.753 176.600 0.146 0.000 1.033 212 K CA 0.018 56.389 56.287 0.140 0.000 1.021 212 K CB -0.133 32.442 32.500 0.126 0.000 0.808 212 K HN 0.278 nan 8.250 nan 0.000 0.505 213 H N 2.084 121.202 119.070 0.081 0.000 2.548 213 H HA 0.070 4.627 4.556 0.000 0.000 0.331 213 H C -1.853 173.520 175.328 0.075 0.000 1.093 213 H CA -2.013 54.073 56.048 0.064 0.000 1.367 213 H CB 1.581 31.337 29.762 -0.011 0.000 1.455 213 H HN -0.115 nan 8.280 nan 0.000 0.519 214 P HA -0.177 nan 4.420 nan 0.000 0.226 214 P C 1.455 178.876 177.300 0.203 0.000 1.146 214 P CA 0.850 64.049 63.100 0.165 0.000 0.773 214 P CB -0.246 31.530 31.700 0.126 0.000 0.772 215 F N 2.181 122.236 119.950 0.175 0.000 2.293 215 F HA -0.157 4.370 4.527 0.000 0.000 0.300 215 F C 2.178 177.941 175.800 -0.062 0.000 1.086 215 F CA 1.430 59.401 58.000 -0.049 0.000 1.375 215 F CB -0.129 38.648 39.000 -0.371 0.000 1.045 215 F HN -0.026 nan 8.300 nan 0.000 0.516 216 S N -0.429 115.275 115.700 0.007 0.000 2.561 216 S HA -0.014 4.457 4.470 0.001 0.000 0.225 216 S C 0.720 175.317 174.600 -0.006 0.000 0.977 216 S CA -0.215 57.954 58.200 -0.052 0.000 0.926 216 S CB -0.609 62.635 63.200 0.074 0.000 0.769 216 S HN 0.255 nan 8.310 nan 0.000 0.533 217 K N 1.146 121.549 120.400 0.006 0.000 2.380 217 K HA 0.156 4.476 4.320 0.001 0.000 0.267 217 K C -0.637 175.970 176.600 0.011 0.000 0.990 217 K CA -0.325 55.984 56.287 0.036 0.000 0.946 217 K CB 0.201 32.716 32.500 0.026 0.000 0.937 217 K HN 0.287 nan 8.250 nan 0.000 0.491 218 F N 1.877 121.672 119.950 -0.259 0.000 2.375 218 F HA 0.295 4.822 4.527 0.001 0.000 0.362 218 F C 0.912 176.533 175.800 -0.299 0.000 1.129 218 F CA -1.041 56.687 58.000 -0.452 0.000 1.154 218 F CB 0.536 38.771 39.000 -1.276 0.000 1.205 218 F HN 0.618 nan 8.300 nan 0.000 0.513 219 G N 3.106 111.701 108.800 -0.341 0.000 2.494 219 G HA2 -0.125 3.835 3.960 0.001 0.000 0.216 219 G HA3 -0.125 3.835 3.960 0.001 0.000 0.216 219 G C 1.273 175.857 174.900 -0.525 0.000 1.140 219 G CA 0.854 45.755 45.100 -0.332 0.000 0.801 219 G HN 0.645 nan 8.290 nan 0.000 0.536 220 T N 0.540 114.584 114.554 -0.850 0.000 2.777 220 T HA 0.328 4.678 4.350 0.001 0.000 0.266 220 T C 1.472 175.750 174.700 -0.704 0.000 1.040 220 T CA 1.183 62.880 62.100 -0.673 0.000 1.141 220 T CB -0.519 68.057 68.868 -0.486 0.000 0.868 220 T HN 1.103 nan 8.240 nan 0.000 0.444 221 G N 2.466 110.375 108.800 -1.486 0.000 2.846 221 G HA2 -0.014 3.946 3.960 0.001 0.000 0.660 221 G HA3 -0.014 3.946 3.960 0.001 0.000 0.660 221 G C -0.625 174.041 174.900 -0.391 0.000 1.464 221 G CA -0.339 44.296 45.100 -0.774 0.000 0.891 221 G HN 0.892 nan 8.290 nan 0.000 0.552 222 N N -1.752 116.838 118.700 -0.184 0.000 3.277 222 N HA 0.442 5.183 4.740 0.001 0.000 0.278 222 N C 0.824 176.277 175.510 -0.094 0.000 1.544 222 N CA -0.127 52.874 53.050 -0.082 0.000 0.869 222 N CB 0.705 39.239 38.487 0.078 0.000 1.584 222 N HN 0.735 nan 8.380 nan 0.000 0.564 223 K N -1.259 119.118 120.400 -0.039 0.000 2.211 223 K HA -0.181 4.140 4.320 0.001 0.000 0.204 223 K C 1.129 177.734 176.600 0.008 0.000 1.047 223 K CA 1.206 57.461 56.287 -0.053 0.000 0.935 223 K CB -0.301 32.192 32.500 -0.010 0.000 0.728 223 K HN 0.536 nan 8.250 nan 0.000 0.452 224 Y N 1.170 121.465 120.300 -0.010 0.000 2.184 224 Y HA -0.179 4.371 4.550 0.000 0.000 0.290 224 Y C 2.405 178.324 175.900 0.031 0.000 1.129 224 Y CA 2.180 60.298 58.100 0.030 0.000 1.144 224 Y CB -0.497 38.017 38.460 0.091 0.000 0.995 224 Y HN 0.203 nan 8.280 nan 0.000 0.513 225 T N -2.441 112.124 114.554 0.019 0.000 3.043 225 T HA -0.034 4.317 4.350 0.001 0.000 0.263 225 T C 1.293 175.887 174.700 -0.178 0.000 1.094 225 T CA 0.984 63.033 62.100 -0.086 0.000 1.127 225 T CB -0.293 68.584 68.868 0.015 0.000 0.905 225 T HN 0.198 nan 8.240 nan 0.000 0.490 226 L N 0.033 121.123 121.223 -0.221 0.000 2.640 226 L HA 0.538 4.878 4.340 0.001 0.000 0.230 226 L C 1.814 178.552 176.870 -0.219 0.000 1.123 226 L CA 0.525 55.191 54.840 -0.290 0.000 0.900 226 L CB 0.045 41.755 42.059 -0.580 0.000 1.146 226 L HN 0.473 nan 8.230 nan 0.000 0.484 227 E N -2.199 117.892 120.200 -0.181 0.000 3.902 227 E HA -0.039 4.311 4.350 0.001 0.000 0.247 227 E C 1.497 178.023 176.600 -0.123 0.000 1.284 227 E CA 0.804 57.131 56.400 -0.122 0.000 1.773 227 E CB 0.211 29.853 29.700 -0.095 0.000 1.684 227 E HN 0.116 nan 8.360 nan 0.000 0.762 228 T N 1.740 116.217 114.554 -0.129 0.000 2.580 228 T HA -0.219 4.132 4.350 0.001 0.000 0.265 228 T C 1.866 176.433 174.700 -0.222 0.000 1.063 228 T CA 1.987 64.015 62.100 -0.119 0.000 1.170 228 T CB -0.372 68.489 68.868 -0.012 0.000 0.863 228 T HN -0.006 nan 8.240 nan 0.000 0.418 229 R N 2.100 122.297 120.500 -0.505 0.000 2.073 229 R HA -0.036 4.305 4.340 0.001 0.000 0.234 229 R C -0.621 175.547 176.300 -0.221 0.000 1.134 229 R CA 1.471 57.284 56.100 -0.478 0.000 0.952 229 R CB -1.461 28.358 30.300 -0.801 0.000 0.850 229 R HN 0.366 nan 8.270 nan 0.000 0.433 230 P HA -0.089 nan 4.420 nan 0.000 0.217 230 P C 0.294 177.552 177.300 -0.069 0.000 1.150 230 P CA 1.231 64.270 63.100 -0.101 0.000 0.832 230 P CB -0.144 31.503 31.700 -0.088 0.000 0.787 231 N N 0.273 118.930 118.700 -0.072 0.000 2.166 231 N HA -0.168 4.572 4.740 0.001 0.000 0.186 231 N C 2.036 177.526 175.510 -0.034 0.000 1.019 231 N CA 1.029 54.053 53.050 -0.043 0.000 0.856 231 N CB -0.766 37.699 38.487 -0.037 0.000 0.993 231 N HN 0.362 nan 8.380 nan 0.000 0.426 232 Q N 1.002 120.776 119.800 -0.044 0.000 2.119 232 Q HA -0.074 4.266 4.340 0.001 0.000 0.201 232 Q C 0.695 176.684 176.000 -0.018 0.000 0.972 232 Q CA 1.186 56.974 55.803 -0.024 0.000 0.847 232 Q CB 0.076 28.802 28.738 -0.022 0.000 0.903 232 Q HN 0.404 nan 8.270 nan 0.000 0.433 233 E N -0.767 119.417 120.200 -0.028 0.000 2.476 233 E HA 0.094 4.445 4.350 0.001 0.000 0.191 233 E C 0.401 176.994 176.600 -0.011 0.000 1.064 233 E CA 0.253 56.644 56.400 -0.015 0.000 0.866 233 E CB 0.304 29.994 29.700 -0.017 0.000 0.952 233 E HN 0.591 nan 8.360 nan 0.000 0.492 234 G N 2.050 110.841 108.800 -0.015 0.000 2.221 234 G HA2 -0.291 3.669 3.960 0.001 0.000 0.265 234 G HA3 -0.291 3.669 3.960 0.001 0.000 0.265 234 G C 0.087 174.981 174.900 -0.011 0.000 1.041 234 G CA 0.065 45.159 45.100 -0.011 0.000 0.807 234 G HN 0.260 nan 8.290 nan 0.000 0.502 235 I N 0.287 120.847 120.570 -0.017 0.000 2.392 235 I HA 0.253 4.423 4.170 0.001 0.000 0.295 235 I C -0.248 175.859 176.117 -0.016 0.000 0.985 235 I CA -0.718 60.573 61.300 -0.015 0.000 1.221 235 I CB 1.521 39.511 38.000 -0.018 0.000 1.366 235 I HN 0.032 nan 8.210 nan 0.000 0.467 236 D N 6.136 126.528 120.400 -0.013 0.000 2.428 236 D HA 0.128 4.768 4.640 0.001 0.000 0.221 236 D C 0.914 177.204 176.300 -0.016 0.000 1.123 236 D CA -0.238 53.754 54.000 -0.014 0.000 0.869 236 D CB 1.510 42.300 40.800 -0.016 0.000 1.032 236 D HN 0.244 nan 8.370 nan 0.000 0.506 237 V N 5.185 125.096 119.914 -0.006 0.000 2.392 237 V HA -0.209 3.911 4.120 0.001 0.000 0.249 237 V C 2.663 178.741 176.094 -0.026 0.000 1.059 237 V CA 1.406 63.712 62.300 0.010 0.000 1.051 237 V CB -0.508 31.354 31.823 0.066 0.000 0.658 237 V HN 0.574 nan 8.190 nan 0.000 0.455 238 R N -0.220 120.258 120.500 -0.036 0.000 2.083 238 R HA -0.239 4.101 4.340 0.001 0.000 0.237 238 R C 2.450 178.657 176.300 -0.155 0.000 1.137 238 R CA 2.230 58.270 56.100 -0.101 0.000 0.951 238 R CB -0.279 29.990 30.300 -0.051 0.000 0.851 238 R HN 0.605 nan 8.270 nan 0.000 0.434 239 Q N -0.098 119.648 119.800 -0.090 0.000 2.084 239 Q HA -0.169 4.171 4.340 0.001 0.000 0.202 239 Q C 1.789 177.736 176.000 -0.088 0.000 0.978 239 Q CA 1.553 57.307 55.803 -0.082 0.000 0.844 239 Q CB 0.144 28.857 28.738 -0.042 0.000 0.898 239 Q HN 0.286 nan 8.270 nan 0.000 0.426 240 E N 0.420 120.581 120.200 -0.064 0.000 2.077 240 E HA -0.183 4.167 4.350 0.001 0.000 0.193 240 E C 2.105 178.673 176.600 -0.054 0.000 0.989 240 E CA 0.814 57.199 56.400 -0.025 0.000 0.800 240 E CB -0.261 29.435 29.700 -0.006 0.000 0.746 240 E HN 0.430 nan 8.360 nan 0.000 0.452 241 L N 0.346 121.444 121.223 -0.209 0.000 1.994 241 L HA -0.201 4.139 4.340 0.001 0.000 0.208 241 L C 2.487 179.038 176.870 -0.532 0.000 1.071 241 L CA 0.793 55.372 54.840 -0.436 0.000 0.745 241 L CB -0.446 41.111 42.059 -0.836 0.000 0.892 241 L HN 0.166 nan 8.230 nan 0.000 0.431 242 L N 0.240 121.126 121.223 -0.563 0.000 2.012 242 L HA -0.267 4.073 4.340 0.001 0.000 0.210 242 L C 2.574 179.401 176.870 -0.072 0.000 1.073 242 L CA 1.893 56.537 54.840 -0.327 0.000 0.748 242 L CB -1.163 40.785 42.059 -0.183 0.000 0.891 242 L HN 0.386 nan 8.230 nan 0.000 0.431 243 K N -0.705 119.673 120.400 -0.037 0.000 2.097 243 K HA -0.239 4.082 4.320 0.001 0.000 0.206 243 K C 2.276 178.927 176.600 0.085 0.000 1.049 243 K CA 1.320 57.620 56.287 0.022 0.000 0.933 243 K CB -0.224 32.293 32.500 0.028 0.000 0.717 243 K HN 0.079 nan 8.250 nan 0.000 0.442 244 F N 1.475 121.435 119.950 0.017 0.000 2.113 244 F HA -0.211 4.317 4.527 0.000 0.000 0.297 244 F C 2.525 178.457 175.800 0.220 0.000 1.103 244 F CA 1.842 59.937 58.000 0.158 0.000 1.248 244 F CB -0.472 38.619 39.000 0.152 0.000 0.999 244 F HN 0.210 nan 8.300 nan 0.000 0.475 245 H N -0.867 118.258 119.070 0.092 0.000 2.353 245 H HA -0.147 4.409 4.556 0.000 0.000 0.300 245 H C 2.399 177.743 175.328 0.026 0.000 1.090 245 H CA 1.722 57.743 56.048 -0.045 0.000 1.327 245 H CB -0.454 29.269 29.762 -0.064 0.000 1.383 245 H HN 0.401 nan 8.280 nan 0.000 0.508 246 S N -0.169 115.627 115.700 0.161 0.000 2.368 246 S HA -0.068 4.402 4.470 0.001 0.000 0.225 246 S C 2.348 176.916 174.600 -0.053 0.000 1.030 246 S CA 1.196 59.449 58.200 0.087 0.000 0.999 246 S CB -0.416 62.820 63.200 0.059 0.000 0.844 246 S HN 0.579 nan 8.310 nan 0.000 0.459 247 A N -0.970 121.750 122.820 -0.167 0.000 2.016 247 A HA 0.209 4.529 4.320 0.001 0.000 0.217 247 A C 1.646 178.918 177.584 -0.521 0.000 1.162 247 A CA 0.841 52.653 52.037 -0.376 0.000 0.662 247 A CB -0.494 18.186 19.000 -0.533 0.000 0.812 247 A HN 0.728 nan 8.150 nan 0.000 0.450 248 Y N -3.506 116.668 120.300 -0.211 0.000 2.535 248 Y HA 0.190 4.740 4.550 0.000 0.000 0.264 248 Y C 0.391 176.225 175.900 -0.109 0.000 1.087 248 Y CA -0.315 57.653 58.100 -0.221 0.000 1.285 248 Y CB 0.288 38.471 38.460 -0.463 0.000 1.200 248 Y HN 0.271 nan 8.280 nan 0.000 0.514 249 Y N 1.436 121.629 120.300 -0.178 0.000 2.889 249 Y HA 0.118 4.669 4.550 0.000 0.000 0.367 249 Y C 0.686 176.514 175.900 -0.120 0.000 1.197 249 Y CA -0.509 57.474 58.100 -0.194 0.000 1.993 249 Y CB 0.025 38.158 38.460 -0.545 0.000 2.112 249 Y HN -0.128 nan 8.280 nan 0.000 0.413 250 S N 0.060 115.756 115.700 -0.008 0.000 2.541 250 S HA 0.115 4.585 4.470 0.001 0.000 0.283 250 S C 1.306 175.899 174.600 -0.011 0.000 1.196 250 S CA -0.291 57.906 58.200 -0.006 0.000 1.062 250 S CB 0.977 64.161 63.200 -0.026 0.000 1.009 250 S HN 0.647 nan 8.310 nan 0.000 0.502 251 S N 3.719 119.426 115.700 0.011 0.000 2.419 251 S HA -0.192 4.278 4.470 0.001 0.000 0.235 251 S C 1.632 176.232 174.600 0.000 0.000 1.019 251 S CA 1.415 59.622 58.200 0.012 0.000 0.982 251 S CB -0.761 62.459 63.200 0.034 0.000 0.789 251 S HN 0.905 nan 8.310 nan 0.000 0.490 252 N N 1.853 120.550 118.700 -0.005 0.000 2.512 252 N HA -0.047 4.693 4.740 0.001 0.000 0.183 252 N C 1.115 176.627 175.510 0.003 0.000 1.073 252 N CA 0.691 53.737 53.050 -0.006 0.000 0.911 252 N CB -0.350 38.126 38.487 -0.019 0.000 0.964 252 N HN 0.514 nan 8.380 nan 0.000 0.447 253 L N -0.022 121.201 121.223 -0.001 0.000 3.066 253 L HA 0.410 4.751 4.340 0.001 0.000 0.265 253 L C 0.145 177.075 176.870 0.099 0.000 1.232 253 L CA -0.150 54.695 54.840 0.008 0.000 1.031 253 L CB 0.087 42.101 42.059 -0.075 0.000 1.379 253 L HN 0.008 nan 8.230 nan 0.000 0.563 254 M N 0.272 119.931 119.600 0.099 0.000 2.598 254 M HA 0.710 5.190 4.480 0.001 0.000 0.317 254 M C -0.442 175.855 176.300 -0.004 0.000 1.179 254 M CA -0.338 54.999 55.300 0.062 0.000 0.936 254 M CB 2.588 35.130 32.600 -0.096 0.000 1.713 254 M HN 0.007 nan 8.290 nan 0.000 0.460 255 A N 1.965 124.711 122.820 -0.124 0.000 2.422 255 A HA 0.863 5.183 4.320 0.001 0.000 0.302 255 A C -1.253 176.186 177.584 -0.241 0.000 1.041 255 A CA -0.644 51.208 52.037 -0.308 0.000 0.708 255 A CB 1.517 20.105 19.000 -0.687 0.000 1.257 255 A HN 0.597 nan 8.150 nan 0.000 0.414 256 V N 0.272 120.028 119.914 -0.263 0.000 2.962 256 V HA 0.695 4.816 4.120 0.001 0.000 0.313 256 V C -0.667 175.293 176.094 -0.223 0.000 1.099 256 V CA -0.597 61.532 62.300 -0.285 0.000 0.971 256 V CB 1.880 33.394 31.823 -0.515 0.000 1.028 256 V HN 1.220 nan 8.190 nan 0.000 0.430 257 C N 4.069 123.254 119.300 -0.193 0.000 2.516 257 C HA 0.811 5.271 4.460 0.001 0.000 0.338 257 C C -0.894 174.000 174.990 -0.160 0.000 1.132 257 C CA -0.147 58.773 59.018 -0.162 0.000 1.310 257 C CB 0.438 28.082 27.740 -0.160 0.000 1.898 257 C HN 0.724 nan 8.230 nan 0.000 0.452 258 V N 6.532 126.370 119.914 -0.127 0.000 2.555 258 V HA 0.709 4.829 4.120 0.001 0.000 0.302 258 V C -0.612 175.434 176.094 -0.080 0.000 1.038 258 V CA -0.561 61.677 62.300 -0.104 0.000 0.887 258 V CB 1.614 33.411 31.823 -0.044 0.000 0.991 258 V HN 0.752 nan 8.190 nan 0.000 0.434 259 L N 4.152 125.329 121.223 -0.077 0.000 2.439 259 L HA 1.020 5.360 4.340 0.001 0.000 0.270 259 L C -0.141 176.716 176.870 -0.022 0.000 0.972 259 L CA 0.263 55.074 54.840 -0.049 0.000 0.836 259 L CB 1.322 43.370 42.059 -0.018 0.000 1.255 259 L HN 0.799 nan 8.230 nan 0.000 0.404 260 G N 3.901 112.692 108.800 -0.015 0.000 2.663 260 G HA2 0.356 4.316 3.960 0.001 0.000 0.299 260 G HA3 0.356 4.316 3.960 0.001 0.000 0.299 260 G C -0.170 174.726 174.900 -0.006 0.000 1.372 260 G CA -0.644 44.466 45.100 0.017 0.000 0.781 260 G HN 0.500 nan 8.290 nan 0.000 0.491 261 R N -0.274 120.232 120.500 0.010 0.000 2.193 261 R HA 0.082 4.422 4.340 0.001 0.000 0.213 261 R C 0.186 176.475 176.300 -0.019 0.000 1.055 261 R CA 0.344 56.425 56.100 -0.031 0.000 0.995 261 R CB -0.005 30.258 30.300 -0.062 0.000 0.893 261 R HN 0.517 nan 8.270 nan 0.000 0.459 262 E N 1.167 121.370 120.200 0.005 0.000 2.438 262 E HA -0.052 4.298 4.350 0.001 0.000 0.261 262 E C 0.196 176.787 176.600 -0.015 0.000 1.103 262 E CA 0.161 56.563 56.400 0.003 0.000 0.959 262 E CB 0.437 30.147 29.700 0.016 0.000 0.958 262 E HN 0.126 nan 8.360 nan 0.000 0.447 263 S N 1.237 116.930 115.700 -0.013 0.000 2.608 263 S HA 0.096 4.566 4.470 0.001 0.000 0.261 263 S C 1.211 175.799 174.600 -0.020 0.000 1.314 263 S CA -0.622 57.566 58.200 -0.020 0.000 0.992 263 S CB 0.404 63.596 63.200 -0.014 0.000 0.935 263 S HN 0.511 nan 8.310 nan 0.000 0.564 264 L N 0.304 121.511 121.223 -0.026 0.000 2.079 264 L HA -0.131 4.209 4.340 0.001 0.000 0.210 264 L C 2.222 179.085 176.870 -0.010 0.000 1.081 264 L CA 1.518 56.344 54.840 -0.024 0.000 0.752 264 L CB -0.717 41.326 42.059 -0.027 0.000 0.896 264 L HN 0.665 nan 8.230 nan 0.000 0.433 265 D N -0.003 120.392 120.400 -0.008 0.000 2.097 265 D HA -0.179 4.461 4.640 0.001 0.000 0.195 265 D C 1.847 178.151 176.300 0.007 0.000 0.989 265 D CA 1.230 55.230 54.000 -0.001 0.000 0.827 265 D CB -0.179 40.620 40.800 -0.001 0.000 0.966 265 D HN 0.290 nan 8.370 nan 0.000 0.456 266 D N 0.169 120.573 120.400 0.007 0.000 2.117 266 D HA -0.075 4.565 4.640 0.001 0.000 0.198 266 D C 2.383 178.697 176.300 0.023 0.000 0.982 266 D CA 0.350 54.359 54.000 0.015 0.000 0.828 266 D CB -0.207 40.601 40.800 0.013 0.000 0.967 266 D HN 0.238 nan 8.370 nan 0.000 0.464 267 L N 0.741 121.975 121.223 0.018 0.000 2.083 267 L HA -0.139 4.201 4.340 0.001 0.000 0.209 267 L C 2.503 179.394 176.870 0.035 0.000 1.083 267 L CA 1.019 55.875 54.840 0.026 0.000 0.752 267 L CB -0.614 41.449 42.059 0.007 0.000 0.899 267 L HN 0.016 nan 8.230 nan 0.000 0.433 268 T N -0.484 114.084 114.554 0.023 0.000 2.746 268 T HA -0.138 4.213 4.350 0.001 0.000 0.267 268 T C 1.710 176.435 174.700 0.042 0.000 1.039 268 T CA 1.394 63.510 62.100 0.026 0.000 1.142 268 T CB -0.220 68.656 68.868 0.014 0.000 0.866 268 T HN 0.322 nan 8.240 nan 0.000 0.444 269 N N 1.134 119.857 118.700 0.038 0.000 2.188 269 N HA 0.055 4.795 4.740 0.001 0.000 0.184 269 N C 1.881 177.426 175.510 0.059 0.000 1.018 269 N CA 0.511 53.586 53.050 0.042 0.000 0.858 269 N CB -0.446 38.059 38.487 0.030 0.000 0.989 269 N HN 0.305 nan 8.380 nan 0.000 0.426 270 L N 0.915 122.178 121.223 0.067 0.000 1.994 270 L HA -0.122 4.218 4.340 0.001 0.000 0.208 270 L C 1.968 178.924 176.870 0.144 0.000 1.071 270 L CA 1.104 55.997 54.840 0.089 0.000 0.745 270 L CB -0.229 41.885 42.059 0.090 0.000 0.892 270 L HN -0.081 nan 8.230 nan 0.000 0.431 271 V N -0.676 119.339 119.914 0.168 0.000 2.407 271 V HA -0.262 3.858 4.120 0.001 0.000 0.248 271 V C 2.462 178.724 176.094 0.281 0.000 1.055 271 V CA 1.493 63.961 62.300 0.280 0.000 1.049 271 V CB -0.205 31.706 31.823 0.146 0.000 0.662 271 V HN 0.270 nan 8.190 nan 0.000 0.455 272 V N 1.262 121.268 119.914 0.154 0.000 2.237 272 V HA -0.285 3.835 4.120 0.001 0.000 0.245 272 V C 2.501 178.655 176.094 0.101 0.000 1.046 272 V CA 2.484 64.856 62.300 0.120 0.000 1.007 272 V CB -0.867 30.999 31.823 0.071 0.000 0.638 272 V HN 0.773 nan 8.190 nan 0.000 0.445 273 K N 0.226 120.670 120.400 0.072 0.000 2.360 273 K HA -0.115 4.206 4.320 0.001 0.000 0.201 273 K C 1.772 178.376 176.600 0.007 0.000 1.046 273 K CA 1.729 58.038 56.287 0.037 0.000 0.940 273 K CB -0.274 32.242 32.500 0.028 0.000 0.748 273 K HN 0.416 nan 8.250 nan 0.000 0.465 274 L N -1.168 120.060 121.223 0.009 0.000 2.575 274 L HA 0.216 4.556 4.340 0.001 0.000 0.228 274 L C 1.100 177.739 176.870 -0.385 0.000 1.075 274 L CA 0.074 54.807 54.840 -0.179 0.000 0.867 274 L CB 0.244 42.165 42.059 -0.229 0.000 1.097 274 L HN 0.083 nan 8.230 nan 0.000 0.485 275 F N -1.218 118.772 119.950 0.067 0.000 2.746 275 F HA 0.044 4.572 4.527 0.000 0.000 0.313 275 F C 2.478 178.303 175.800 0.041 0.000 1.095 275 F CA 0.348 58.386 58.000 0.062 0.000 1.224 275 F CB 0.158 39.190 39.000 0.054 0.000 1.060 275 F HN -0.050 nan 8.300 nan 0.000 0.584 276 S N -0.390 115.412 115.700 0.170 0.000 2.507 276 S HA -0.109 4.361 4.470 0.001 0.000 0.235 276 S C 1.436 176.080 174.600 0.074 0.000 0.988 276 S CA 0.914 59.178 58.200 0.107 0.000 0.944 276 S CB -0.270 62.975 63.200 0.075 0.000 0.762 276 S HN 0.272 nan 8.310 nan 0.000 0.526 277 E N 1.306 121.542 120.200 0.059 0.000 2.435 277 E HA 0.169 4.519 4.350 0.001 0.000 0.195 277 E C 0.333 176.966 176.600 0.055 0.000 1.029 277 E CA 0.011 56.433 56.400 0.037 0.000 0.865 277 E CB -0.256 29.448 29.700 0.007 0.000 0.833 277 E HN 0.411 nan 8.360 nan 0.000 0.510 278 V N 3.135 123.103 119.914 0.090 0.000 2.673 278 V HA -0.083 4.038 4.120 0.001 0.000 0.303 278 V C 0.768 176.909 176.094 0.078 0.000 1.046 278 V CA 0.232 62.598 62.300 0.111 0.000 1.126 278 V CB 0.342 32.262 31.823 0.161 0.000 0.934 278 V HN 0.087 nan 8.190 nan 0.000 0.487 279 E N 3.295 123.538 120.200 0.072 0.000 2.366 279 E HA 0.193 4.543 4.350 0.001 0.000 0.266 279 E C -0.250 176.370 176.600 0.035 0.000 1.051 279 E CA -0.457 55.971 56.400 0.046 0.000 0.884 279 E CB 0.582 30.307 29.700 0.043 0.000 1.006 279 E HN 0.592 nan 8.360 nan 0.000 0.417 280 N N 1.917 120.628 118.700 0.019 0.000 2.511 280 N HA 0.098 4.838 4.740 0.001 0.000 0.249 280 N C -0.702 174.803 175.510 -0.008 0.000 0.971 280 N CA -0.404 52.649 53.050 0.005 0.000 0.938 280 N CB 0.855 39.345 38.487 0.005 0.000 1.131 280 N HN 0.232 nan 8.380 nan 0.000 0.505 281 K N 1.734 122.122 120.400 -0.020 0.000 2.437 281 K HA 0.262 4.583 4.320 0.001 0.000 0.198 281 K C -0.289 176.284 176.600 -0.044 0.000 1.024 281 K CA -0.191 56.074 56.287 -0.036 0.000 1.148 281 K CB -0.070 32.397 32.500 -0.055 0.000 0.860 281 K HN 0.525 nan 8.250 nan 0.000 0.515 282 N N 0.680 119.359 118.700 -0.036 0.000 2.705 282 N HA -0.173 4.568 4.740 0.001 0.000 0.255 282 N C -0.861 174.618 175.510 -0.052 0.000 1.008 282 N CA 0.557 53.584 53.050 -0.039 0.000 0.742 282 N CB -1.417 37.050 38.487 -0.034 0.000 0.906 282 N HN -0.046 nan 8.380 nan 0.000 0.541 283 V N 1.023 120.903 119.914 -0.057 0.000 2.521 283 V HA 0.150 4.270 4.120 0.001 0.000 0.286 283 V C -1.528 174.529 176.094 -0.062 0.000 1.034 283 V CA -0.856 61.405 62.300 -0.064 0.000 1.045 283 V CB 0.852 32.642 31.823 -0.055 0.000 0.974 283 V HN 0.097 nan 8.190 nan 0.000 0.480 284 P HA 0.164 nan 4.420 nan 0.000 0.271 284 P C -0.215 177.017 177.300 -0.113 0.000 1.216 284 P CA -0.360 62.690 63.100 -0.084 0.000 0.771 284 P CB 0.496 32.151 31.700 -0.076 0.000 0.864 285 L N 5.947 127.069 121.223 -0.169 0.000 2.477 285 L HA 0.167 4.507 4.340 0.001 0.000 0.272 285 L C -1.891 174.812 176.870 -0.278 0.000 1.157 285 L CA -1.649 53.029 54.840 -0.271 0.000 0.889 285 L CB 0.403 42.264 42.059 -0.331 0.000 1.158 285 L HN 0.268 nan 8.230 nan 0.000 0.473 286 P HA 0.088 nan 4.420 nan 0.000 0.265 286 P C -1.121 175.842 177.300 -0.562 0.000 1.193 286 P CA 0.209 63.079 63.100 -0.383 0.000 0.765 286 P CB 0.554 32.102 31.700 -0.253 0.000 0.823 287 E N 1.492 121.243 120.200 -0.747 0.000 2.317 287 E HA 0.429 4.779 4.350 0.001 0.000 0.270 287 E C -1.097 174.974 176.600 -0.881 0.000 0.885 287 E CA -0.518 55.507 56.400 -0.625 0.000 0.760 287 E CB 1.500 31.029 29.700 -0.285 0.000 1.227 287 E HN 0.276 nan 8.360 nan 0.000 0.434 288 F N 2.104 122.109 119.950 0.091 0.000 2.622 288 F HA 0.239 4.766 4.527 0.000 0.000 0.338 288 F C -1.664 174.270 175.800 0.224 0.000 1.334 288 F CA -1.515 56.594 58.000 0.182 0.000 1.179 288 F CB 0.980 40.239 39.000 0.432 0.000 1.471 288 F HN 0.293 nan 8.300 nan 0.000 0.576 289 P HA -0.197 nan 4.420 nan 0.000 0.217 289 P C 0.339 177.753 177.300 0.189 0.000 1.150 289 P CA 1.094 64.291 63.100 0.162 0.000 0.832 289 P CB 0.445 32.191 31.700 0.077 0.000 0.787 290 E N 0.528 120.844 120.200 0.193 0.000 2.257 290 E HA 0.001 4.351 4.350 0.001 0.000 0.278 290 E C -0.011 176.690 176.600 0.168 0.000 1.049 290 E CA -0.553 55.959 56.400 0.185 0.000 0.876 290 E CB 0.128 29.928 29.700 0.166 0.000 1.035 290 E HN 0.133 nan 8.360 nan 0.000 0.419 291 H N 5.633 124.694 119.070 -0.016 0.000 2.803 291 H HA 0.054 4.610 4.556 0.001 0.000 0.330 291 H C -1.853 173.190 175.328 -0.474 0.000 1.057 291 H CA -1.840 54.024 56.048 -0.308 0.000 1.458 291 H CB 1.409 31.078 29.762 -0.154 0.000 1.470 291 H HN 0.499 nan 8.280 nan 0.000 0.560 292 P HA -0.148 nan 4.420 nan 0.000 0.218 292 P C -0.377 176.799 177.300 -0.206 0.000 1.146 292 P CA 1.213 63.722 63.100 -0.984 0.000 0.813 292 P CB 0.053 30.766 31.700 -1.645 0.000 0.778 293 F N 0.096 120.152 119.950 0.177 0.000 2.334 293 F HA 0.331 4.859 4.527 0.001 0.000 0.367 293 F C 1.079 177.004 175.800 0.208 0.000 1.115 293 F CA -1.107 57.000 58.000 0.178 0.000 1.116 293 F CB 0.038 39.125 39.000 0.146 0.000 1.230 293 F HN -0.155 nan 8.300 nan 0.000 0.484 294 Q N 1.011 121.171 119.800 0.599 0.000 2.199 294 Q HA 0.166 4.507 4.340 0.001 0.000 0.205 294 Q C 1.423 177.530 176.000 0.179 0.000 1.001 294 Q CA -0.457 55.534 55.803 0.314 0.000 1.019 294 Q CB 0.679 29.575 28.738 0.262 0.000 1.132 294 Q HN 0.518 nan 8.270 nan 0.000 0.530 295 E N 1.352 121.598 120.200 0.077 0.000 2.070 295 E HA -0.230 4.120 4.350 0.001 0.000 0.197 295 E C 1.470 178.049 176.600 -0.034 0.000 1.004 295 E CA 1.998 58.416 56.400 0.030 0.000 0.805 295 E CB 0.050 29.760 29.700 0.018 0.000 0.744 295 E HN 0.605 nan 8.360 nan 0.000 0.451 296 E N -0.497 119.612 120.200 -0.152 0.000 2.401 296 E HA -0.216 4.134 4.350 0.001 0.000 0.199 296 E C 0.742 177.175 176.600 -0.277 0.000 1.023 296 E CA 1.114 57.369 56.400 -0.242 0.000 0.859 296 E CB -0.366 29.140 29.700 -0.324 0.000 0.780 296 E HN 0.534 nan 8.360 nan 0.000 0.523 297 H N 0.224 119.341 119.070 0.078 0.000 2.586 297 H HA 0.359 4.915 4.556 0.001 0.000 0.273 297 H C 0.640 175.958 175.328 -0.017 0.000 0.997 297 H CA -0.054 56.028 56.048 0.056 0.000 1.177 297 H CB 0.560 30.395 29.762 0.123 0.000 1.471 297 H HN 0.083 nan 8.280 nan 0.000 0.538 298 L N 0.212 121.480 121.223 0.075 0.000 2.358 298 L HA 0.254 4.594 4.340 0.001 0.000 0.268 298 L C 0.682 177.572 176.870 0.034 0.000 1.032 298 L CA -0.832 54.039 54.840 0.052 0.000 0.805 298 L CB 1.172 43.278 42.059 0.078 0.000 1.253 298 L HN -0.024 nan 8.230 nan 0.000 0.452 299 K N 0.418 120.848 120.400 0.051 0.000 3.096 299 K HA -0.169 4.151 4.320 0.001 0.000 0.266 299 K C -0.717 175.882 176.600 -0.002 0.000 1.043 299 K CA 0.323 56.645 56.287 0.059 0.000 0.758 299 K CB -1.063 31.466 32.500 0.048 0.000 1.260 299 K HN 0.478 nan 8.250 nan 0.000 0.481 300 Q N 0.417 120.194 119.800 -0.038 0.000 2.306 300 Q HA 0.544 4.885 4.340 0.001 0.000 0.265 300 Q C -0.652 175.182 176.000 -0.277 0.000 1.022 300 Q CA -0.974 54.710 55.803 -0.199 0.000 0.853 300 Q CB 2.033 30.623 28.738 -0.246 0.000 1.327 300 Q HN 0.223 nan 8.270 nan 0.000 0.449 301 L N 1.896 122.860 121.223 -0.431 0.000 2.346 301 L HA 0.517 4.857 4.340 0.001 0.000 0.276 301 L C -1.841 174.705 176.870 -0.540 0.000 1.006 301 L CA -0.514 54.144 54.840 -0.304 0.000 0.817 301 L CB 1.168 43.147 42.059 -0.133 0.000 1.272 301 L HN 0.454 nan 8.230 nan 0.000 0.421 302 Y N 3.420 123.710 120.300 -0.016 0.000 2.361 302 Y HA 0.561 5.111 4.550 0.001 0.000 0.337 302 Y C -0.336 175.515 175.900 -0.081 0.000 0.965 302 Y CA -0.725 57.367 58.100 -0.013 0.000 1.091 302 Y CB 1.828 40.284 38.460 -0.006 0.000 1.182 302 Y HN 0.397 nan 8.280 nan 0.000 0.450 303 K N 4.869 125.220 120.400 -0.082 0.000 2.339 303 K HA 0.655 4.975 4.320 0.001 0.000 0.264 303 K C -1.234 175.277 176.600 -0.149 0.000 0.986 303 K CA -0.362 55.624 56.287 -0.502 0.000 0.866 303 K CB 1.537 33.255 32.500 -1.303 0.000 1.103 303 K HN 0.560 nan 8.250 nan 0.000 0.441 304 I N 2.110 122.745 120.570 0.109 0.000 2.569 304 I HA 0.277 4.448 4.170 0.001 0.000 0.296 304 I C -0.453 175.852 176.117 0.314 0.000 1.028 304 I CA -1.340 60.090 61.300 0.216 0.000 1.082 304 I CB 2.174 40.258 38.000 0.140 0.000 1.264 304 I HN 0.162 nan 8.210 nan 0.000 0.429 305 V N 7.090 127.147 119.914 0.238 0.000 2.364 305 V HA 0.324 4.444 4.120 0.001 0.000 0.272 305 V C -1.875 174.298 176.094 0.133 0.000 1.036 305 V CA -1.308 61.113 62.300 0.201 0.000 0.880 305 V CB 0.763 32.683 31.823 0.162 0.000 0.991 305 V HN 0.598 nan 8.190 nan 0.000 0.460 306 P HA 0.380 nan 4.420 nan 0.000 0.278 306 P C 0.539 177.873 177.300 0.056 0.000 1.266 306 P CA -0.404 62.745 63.100 0.082 0.000 0.807 306 P CB 1.750 33.501 31.700 0.085 0.000 1.094 307 I N -0.845 119.750 120.570 0.042 0.000 2.385 307 I HA 0.077 4.247 4.170 0.001 0.000 0.244 307 I C 1.394 177.521 176.117 0.018 0.000 1.089 307 I CA 1.072 62.382 61.300 0.017 0.000 1.410 307 I CB -1.100 36.897 38.000 -0.005 0.000 1.117 307 I HN 0.342 nan 8.210 nan 0.000 0.429 308 K N 1.196 121.614 120.400 0.030 0.000 2.120 308 K HA 0.004 4.325 4.320 0.001 0.000 0.245 308 K C -0.036 176.584 176.600 0.034 0.000 1.024 308 K CA -0.326 55.981 56.287 0.033 0.000 0.906 308 K CB 0.447 32.974 32.500 0.046 0.000 1.051 308 K HN -0.096 nan 8.250 nan 0.000 0.491 309 D N 2.618 123.035 120.400 0.028 0.000 2.494 309 D HA 0.184 4.824 4.640 0.001 0.000 0.217 309 D C -0.785 175.530 176.300 0.025 0.000 1.153 309 D CA -0.256 53.756 54.000 0.020 0.000 0.954 309 D CB -0.492 40.313 40.800 0.009 0.000 1.034 309 D HN 0.379 nan 8.370 nan 0.000 0.518 310 I N -0.833 119.757 120.570 0.034 0.000 2.785 310 I HA 0.624 4.795 4.170 0.001 0.000 0.302 310 I C -0.622 175.515 176.117 0.034 0.000 1.069 310 I CA -1.202 60.121 61.300 0.040 0.000 1.045 310 I CB 2.336 40.373 38.000 0.062 0.000 1.236 310 I HN -0.176 nan 8.210 nan 0.000 0.429 311 R N 3.567 124.080 120.500 0.021 0.000 2.435 311 R HA 0.536 4.877 4.340 0.001 0.000 0.308 311 R C -1.295 175.000 176.300 -0.009 0.000 0.975 311 R CA -0.714 55.391 56.100 0.007 0.000 0.867 311 R CB 1.500 31.793 30.300 -0.013 0.000 1.171 311 R HN 0.667 nan 8.270 nan 0.000 0.470 312 N N 2.263 120.959 118.700 -0.007 0.000 2.357 312 N HA 0.422 5.162 4.740 0.001 0.000 0.284 312 N C -1.664 173.732 175.510 -0.190 0.000 1.236 312 N CA -0.813 52.143 53.050 -0.157 0.000 0.774 312 N CB 2.706 41.054 38.487 -0.232 0.000 1.534 312 N HN 0.213 nan 8.380 nan 0.000 0.478 313 L N 1.750 122.750 121.223 -0.373 0.000 2.376 313 L HA 0.509 4.849 4.340 0.001 0.000 0.275 313 L C -1.848 174.765 176.870 -0.429 0.000 0.987 313 L CA -0.512 54.185 54.840 -0.238 0.000 0.828 313 L CB 0.645 42.630 42.059 -0.125 0.000 1.249 313 L HN 0.417 nan 8.230 nan 0.000 0.409 314 Y N 4.466 124.761 120.300 -0.008 0.000 2.334 314 Y HA 0.641 5.192 4.550 0.000 0.000 0.336 314 Y C -0.226 175.638 175.900 -0.060 0.000 0.960 314 Y CA -0.809 57.270 58.100 -0.036 0.000 1.164 314 Y CB 1.961 40.396 38.460 -0.043 0.000 1.155 314 Y HN 0.312 nan 8.280 nan 0.000 0.478 315 V N 3.748 123.675 119.914 0.022 0.000 2.417 315 V HA 0.553 4.673 4.120 0.001 0.000 0.291 315 V C -0.228 175.807 176.094 -0.099 0.000 1.024 315 V CA -0.490 61.746 62.300 -0.107 0.000 0.861 315 V CB 1.761 33.475 31.823 -0.181 0.000 0.985 315 V HN 0.820 nan 8.190 nan 0.000 0.436 316 T N 5.229 119.661 114.554 -0.203 0.000 2.876 316 T HA 0.729 5.079 4.350 0.001 0.000 0.289 316 T C -1.017 173.569 174.700 -0.190 0.000 1.014 316 T CA -0.262 61.810 62.100 -0.047 0.000 0.986 316 T CB 1.286 70.198 68.868 0.073 0.000 1.021 316 T HN 0.296 nan 8.240 nan 0.000 0.458 317 F N 3.541 123.686 119.950 0.324 0.000 2.539 317 F HA 0.441 4.968 4.527 0.000 0.000 0.318 317 F C -2.224 173.785 175.800 0.348 0.000 1.135 317 F CA -2.370 55.806 58.000 0.294 0.000 0.915 317 F CB 2.233 41.387 39.000 0.257 0.000 1.176 317 F HN 0.251 nan 8.300 nan 0.000 0.440 318 P HA 0.388 nan 4.420 nan 0.000 0.280 318 P C -0.890 176.470 177.300 0.101 0.000 1.244 318 P CA 0.007 63.171 63.100 0.106 0.000 0.784 318 P CB 1.606 33.059 31.700 -0.411 0.000 0.913 319 I N -0.653 120.017 120.570 0.166 0.000 3.095 319 I HA 0.659 4.829 4.170 0.001 0.000 0.310 319 I C -3.063 173.172 176.117 0.197 0.000 1.196 319 I CA -3.619 57.785 61.300 0.174 0.000 0.985 319 I CB 2.026 40.154 38.000 0.214 0.000 1.250 319 I HN 0.012 nan 8.210 nan 0.000 0.446 320 P HA 0.083 nan 4.420 nan 0.000 0.274 320 P C -1.164 176.215 177.300 0.132 0.000 1.260 320 P CA -0.066 63.132 63.100 0.164 0.000 0.793 320 P CB 0.369 32.163 31.700 0.156 0.000 1.048 321 D N 0.596 121.051 120.400 0.091 0.000 2.358 321 D HA 0.038 4.678 4.640 0.001 0.000 0.258 321 D C 0.497 176.840 176.300 0.072 0.000 1.223 321 D CA 0.375 54.399 54.000 0.041 0.000 0.886 321 D CB 0.048 40.849 40.800 0.003 0.000 1.120 321 D HN 0.220 nan 8.370 nan 0.000 0.482 322 L N 3.220 124.521 121.223 0.129 0.000 2.607 322 L HA 0.042 4.382 4.340 0.001 0.000 0.228 322 L C 1.930 178.894 176.870 0.156 0.000 1.123 322 L CA -0.170 54.816 54.840 0.243 0.000 0.890 322 L CB -0.037 42.223 42.059 0.334 0.000 1.103 322 L HN 0.370 nan 8.230 nan 0.000 0.468 323 Q N 2.534 122.386 119.800 0.087 0.000 2.112 323 Q HA -0.245 4.095 4.340 0.001 0.000 0.206 323 Q C 2.030 178.130 176.000 0.166 0.000 0.987 323 Q CA 2.206 58.085 55.803 0.127 0.000 0.858 323 Q CB -0.130 28.665 28.738 0.096 0.000 0.905 323 Q HN 0.622 nan 8.270 nan 0.000 0.420 324 K N -1.558 118.808 120.400 -0.058 0.000 2.360 324 K HA -0.153 4.167 4.320 0.001 0.000 0.201 324 K C 0.499 177.000 176.600 -0.166 0.000 1.046 324 K CA 1.336 57.548 56.287 -0.124 0.000 0.945 324 K CB -0.316 31.965 32.500 -0.365 0.000 0.750 324 K HN 0.230 nan 8.250 nan 0.000 0.464 325 Y N 1.072 121.427 120.300 0.092 0.000 2.583 325 Y HA 0.113 4.663 4.550 0.000 0.000 0.294 325 Y C 1.113 177.021 175.900 0.014 0.000 1.170 325 Y CA -1.544 56.555 58.100 -0.002 0.000 1.265 325 Y CB -0.926 37.547 38.460 0.022 0.000 1.119 325 Y HN 0.191 nan 8.280 nan 0.000 0.522 326 Y N -0.319 120.115 120.300 0.223 0.000 2.365 326 Y HA -0.214 4.336 4.550 0.001 0.000 0.287 326 Y C 1.613 177.605 175.900 0.153 0.000 1.162 326 Y CA 0.764 58.982 58.100 0.198 0.000 1.260 326 Y CB -0.618 37.998 38.460 0.260 0.000 0.976 326 Y HN -0.028 nan 8.280 nan 0.000 0.548 327 K N 0.393 120.600 120.400 -0.322 0.000 2.155 327 K HA -0.064 4.256 4.320 0.001 0.000 0.203 327 K C 2.100 178.748 176.600 0.081 0.000 1.052 327 K CA 1.451 57.645 56.287 -0.155 0.000 0.948 327 K CB -0.084 32.254 32.500 -0.271 0.000 0.728 327 K HN 0.568 nan 8.250 nan 0.000 0.448 328 S N -0.468 115.295 115.700 0.104 0.000 2.524 328 S HA 0.021 4.491 4.470 0.001 0.000 0.222 328 S C 0.543 175.306 174.600 0.272 0.000 1.040 328 S CA -0.401 57.903 58.200 0.173 0.000 0.915 328 S CB 0.082 63.250 63.200 -0.054 0.000 0.831 328 S HN 0.199 nan 8.310 nan 0.000 0.492 329 N N 2.953 121.801 118.700 0.246 0.000 2.642 329 N HA -0.084 4.656 4.740 0.001 0.000 0.269 329 N C -1.701 173.998 175.510 0.316 0.000 1.073 329 N CA 0.968 54.202 53.050 0.307 0.000 0.748 329 N CB -0.230 38.432 38.487 0.292 0.000 0.894 329 N HN 0.385 nan 8.380 nan 0.000 0.548 330 P HA -0.114 nan 4.420 nan 0.000 0.217 330 P C 1.514 178.983 177.300 0.282 0.000 1.150 330 P CA 1.733 64.921 63.100 0.147 0.000 0.832 330 P CB -0.174 31.499 31.700 -0.044 0.000 0.787 331 G N -0.167 108.809 108.800 0.292 0.000 2.446 331 G HA2 -0.269 3.691 3.960 0.001 0.000 0.217 331 G HA3 -0.269 3.691 3.960 0.001 0.000 0.217 331 G C 1.308 176.387 174.900 0.299 0.000 1.168 331 G CA 1.000 46.293 45.100 0.323 0.000 0.771 331 G HN 0.334 nan 8.290 nan 0.000 0.551 332 H N -1.918 117.323 119.070 0.285 0.000 2.462 332 H HA 0.019 4.575 4.556 0.001 0.000 0.292 332 H C 1.958 177.460 175.328 0.290 0.000 1.049 332 H CA 1.150 57.342 56.048 0.240 0.000 1.334 332 H CB -0.158 29.704 29.762 0.168 0.000 1.404 332 H HN 0.492 nan 8.280 nan 0.000 0.544 333 Y N 0.895 121.387 120.300 0.321 0.000 2.145 333 Y HA -0.209 4.341 4.550 0.000 0.000 0.286 333 Y C 1.885 177.959 175.900 0.290 0.000 1.145 333 Y CA 1.451 59.726 58.100 0.293 0.000 1.148 333 Y CB -0.413 38.207 38.460 0.265 0.000 0.981 333 Y HN 0.104 nan 8.280 nan 0.000 0.507 334 L N -0.344 121.090 121.223 0.352 0.000 2.141 334 L HA -0.111 4.229 4.340 0.001 0.000 0.209 334 L C 2.677 179.738 176.870 0.318 0.000 1.094 334 L CA 1.109 56.098 54.840 0.248 0.000 0.763 334 L CB -1.086 41.089 42.059 0.193 0.000 0.908 334 L HN 0.443 nan 8.230 nan 0.000 0.437 335 G N -1.085 107.926 108.800 0.352 0.000 2.402 335 G HA2 -0.329 3.632 3.960 0.001 0.000 0.216 335 G HA3 -0.329 3.632 3.960 0.001 0.000 0.216 335 G C 1.352 176.340 174.900 0.147 0.000 1.162 335 G CA 0.889 46.104 45.100 0.192 0.000 0.777 335 G HN 0.415 nan 8.290 nan 0.000 0.539 336 H N -0.097 119.021 119.070 0.081 0.000 2.352 336 H HA -0.019 4.537 4.556 0.001 0.000 0.299 336 H C 2.288 177.683 175.328 0.112 0.000 1.097 336 H CA 1.423 57.523 56.048 0.086 0.000 1.311 336 H CB -0.095 29.692 29.762 0.042 0.000 1.377 336 H HN 0.235 nan 8.280 nan 0.000 0.504 337 L N 0.020 121.214 121.223 -0.048 0.000 2.049 337 L HA 0.001 4.341 4.340 0.001 0.000 0.203 337 L C 2.523 179.421 176.870 0.046 0.000 1.074 337 L CA 1.297 56.111 54.840 -0.042 0.000 0.749 337 L CB -0.822 41.202 42.059 -0.058 0.000 0.907 337 L HN 0.393 nan 8.230 nan 0.000 0.439 338 I N -0.757 119.863 120.570 0.084 0.000 2.361 338 I HA -0.200 3.971 4.170 0.001 0.000 0.251 338 I C 2.010 178.017 176.117 -0.182 0.000 1.133 338 I CA 1.404 62.668 61.300 -0.060 0.000 1.413 338 I CB -0.649 37.431 38.000 0.133 0.000 1.073 338 I HN 0.359 nan 8.210 nan 0.000 0.424 339 G N -1.138 107.611 108.800 -0.085 0.000 3.042 339 G HA2 -0.058 3.902 3.960 0.001 0.000 0.212 339 G HA3 -0.058 3.902 3.960 0.001 0.000 0.212 339 G C 0.585 175.371 174.900 -0.190 0.000 1.166 339 G CA -0.223 44.803 45.100 -0.123 0.000 0.767 339 G HN 0.292 nan 8.290 nan 0.000 0.546 340 H N 1.298 120.204 119.070 -0.274 0.000 2.928 340 H HA 0.178 4.734 4.556 0.001 0.000 0.338 340 H C -0.056 174.979 175.328 -0.488 0.000 1.047 340 H CA 0.721 56.572 56.048 -0.329 0.000 1.435 340 H CB 0.823 30.453 29.762 -0.219 0.000 1.428 340 H HN 0.319 nan 8.280 nan 0.000 0.590 341 E N 1.333 120.956 120.200 -0.962 0.000 2.303 341 E HA 0.557 4.908 4.350 0.001 0.000 0.254 341 E C -0.218 176.235 176.600 -0.245 0.000 0.979 341 E CA -0.896 55.108 56.400 -0.659 0.000 0.843 341 E CB 1.865 30.966 29.700 -0.999 0.000 1.245 341 E HN 0.836 nan 8.360 nan 0.000 0.413 342 G N 0.888 109.677 108.800 -0.018 0.000 2.674 342 G HA2 -0.099 3.861 3.960 0.001 0.000 0.686 342 G HA3 -0.099 3.861 3.960 0.001 0.000 0.686 342 G C -3.022 171.988 174.900 0.184 0.000 1.195 342 G CA -1.332 43.891 45.100 0.206 0.000 0.776 342 G HN 0.268 nan 8.290 nan 0.000 0.654 343 P HA 0.319 nan 4.420 nan 0.000 0.261 343 P C 1.271 178.659 177.300 0.145 0.000 1.173 343 P CA 2.195 65.381 63.100 0.143 0.000 0.760 343 P CB 0.619 32.401 31.700 0.136 0.000 0.783 344 G N 1.702 110.592 108.800 0.150 0.000 2.179 344 G HA2 -0.258 3.702 3.960 0.001 0.000 0.260 344 G HA3 -0.258 3.702 3.960 0.001 0.000 0.260 344 G C 0.438 175.529 174.900 0.317 0.000 0.977 344 G CA 0.363 45.587 45.100 0.207 0.000 0.641 344 G HN 0.824 nan 8.290 nan 0.000 0.533 345 S N -0.436 115.392 115.700 0.214 0.000 2.624 345 S HA 0.597 5.068 4.470 0.001 0.000 0.263 345 S C 1.515 176.169 174.600 0.091 0.000 1.287 345 S CA 0.134 58.396 58.200 0.102 0.000 0.990 345 S CB 1.549 64.751 63.200 0.003 0.000 0.950 345 S HN 1.136 nan 8.310 nan 0.000 0.561 346 L N 0.992 121.992 121.223 -0.372 0.000 2.046 346 L HA 0.028 4.369 4.340 0.001 0.000 0.208 346 L C 2.186 179.048 176.870 -0.014 0.000 1.077 346 L CA 1.504 56.152 54.840 -0.320 0.000 0.747 346 L CB -0.852 40.757 42.059 -0.750 0.000 0.896 346 L HN 0.870 nan 8.230 nan 0.000 0.432 347 L N -1.338 119.822 121.223 -0.105 0.000 1.994 347 L HA -0.241 4.099 4.340 0.001 0.000 0.208 347 L C 2.484 179.357 176.870 0.004 0.000 1.071 347 L CA 1.941 56.744 54.840 -0.062 0.000 0.745 347 L CB -0.461 41.520 42.059 -0.130 0.000 0.892 347 L HN 0.358 nan 8.230 nan 0.000 0.431 348 S N -0.170 115.544 115.700 0.024 0.000 2.368 348 S HA -0.286 4.184 4.470 0.001 0.000 0.226 348 S C 1.714 176.340 174.600 0.042 0.000 1.044 348 S CA 1.959 60.183 58.200 0.040 0.000 1.062 348 S CB -0.283 62.957 63.200 0.068 0.000 0.931 348 S HN 0.458 nan 8.310 nan 0.000 0.440 349 E N 0.932 121.200 120.200 0.114 0.000 2.072 349 E HA -0.069 4.281 4.350 0.001 0.000 0.191 349 E C 1.813 178.410 176.600 -0.005 0.000 0.985 349 E CA 0.783 57.218 56.400 0.059 0.000 0.801 349 E CB -0.409 29.361 29.700 0.117 0.000 0.750 349 E HN 0.239 nan 8.360 nan 0.000 0.452 350 L N 0.591 121.860 121.223 0.076 0.000 2.131 350 L HA -0.062 4.278 4.340 0.001 0.000 0.210 350 L C 2.230 179.072 176.870 -0.046 0.000 1.092 350 L CA 1.645 56.505 54.840 0.032 0.000 0.759 350 L CB -0.704 41.422 42.059 0.111 0.000 0.903 350 L HN 0.098 nan 8.230 nan 0.000 0.435 351 K N -0.756 119.622 120.400 -0.036 0.000 2.044 351 K HA -0.103 4.217 4.320 0.001 0.000 0.204 351 K C 2.339 178.882 176.600 -0.095 0.000 1.049 351 K CA 1.262 57.523 56.287 -0.043 0.000 0.945 351 K CB -0.116 32.372 32.500 -0.020 0.000 0.724 351 K HN 0.351 nan 8.250 nan 0.000 0.440 352 S N 0.420 116.055 115.700 -0.109 0.000 2.399 352 S HA -0.139 4.331 4.470 0.001 0.000 0.231 352 S C 1.722 176.179 174.600 -0.240 0.000 1.022 352 S CA 1.074 59.194 58.200 -0.133 0.000 0.983 352 S CB -0.247 62.889 63.200 -0.107 0.000 0.803 352 S HN 0.259 nan 8.310 nan 0.000 0.480 353 K N 0.765 120.924 120.400 -0.402 0.000 2.504 353 K HA 0.142 4.463 4.320 0.001 0.000 0.195 353 K C 1.146 177.327 176.600 -0.698 0.000 1.036 353 K CA 0.417 56.263 56.287 -0.736 0.000 0.984 353 K CB -0.517 31.142 32.500 -1.402 0.000 0.788 353 K HN 0.632 nan 8.250 nan 0.000 0.488 354 G N 0.747 109.335 108.800 -0.354 0.000 2.198 354 G HA2 -0.180 3.781 3.960 0.001 0.000 0.257 354 G HA3 -0.180 3.781 3.960 0.001 0.000 0.257 354 G C 0.105 175.036 174.900 0.051 0.000 1.042 354 G CA 0.077 45.096 45.100 -0.135 0.000 0.791 354 G HN 0.306 nan 8.290 nan 0.000 0.502 355 W N -1.312 119.954 121.300 -0.057 0.000 2.915 355 W HA 0.547 5.207 4.660 0.000 0.000 0.276 355 W C 0.736 177.234 176.519 -0.035 0.000 1.215 355 W CA 0.084 57.400 57.345 -0.048 0.000 1.514 355 W CB 0.285 29.702 29.460 -0.072 0.000 1.017 355 W HN 0.234 nan 8.180 nan 0.000 0.598 356 V N 1.065 121.084 119.914 0.175 0.000 3.114 356 V HA 0.318 4.438 4.120 0.001 0.000 0.308 356 V C 0.249 176.365 176.094 0.038 0.000 1.168 356 V CA -0.628 61.723 62.300 0.084 0.000 1.015 356 V CB 2.366 34.228 31.823 0.066 0.000 1.050 356 V HN -0.184 nan 8.190 nan 0.000 0.433 357 N N -0.012 118.698 118.700 0.016 0.000 2.503 357 N HA 0.146 4.886 4.740 0.001 0.000 0.210 357 N C 0.150 175.650 175.510 -0.017 0.000 1.077 357 N CA 0.461 53.513 53.050 0.004 0.000 0.855 357 N CB 1.078 39.573 38.487 0.013 0.000 1.323 357 N HN 0.689 nan 8.380 nan 0.000 0.452 358 T N 1.680 116.218 114.554 -0.027 0.000 2.893 358 T HA 0.506 4.857 4.350 0.001 0.000 0.291 358 T C -1.210 173.451 174.700 -0.066 0.000 1.028 358 T CA -0.472 61.600 62.100 -0.046 0.000 0.995 358 T CB 2.483 71.330 68.868 -0.036 0.000 1.051 358 T HN -0.138 nan 8.240 nan 0.000 0.470 359 L N 2.907 124.079 121.223 -0.085 0.000 2.455 359 L HA 0.796 5.136 4.340 0.001 0.000 0.264 359 L C -1.744 175.066 176.870 -0.099 0.000 0.968 359 L CA -0.872 53.908 54.840 -0.100 0.000 0.827 359 L CB 1.806 43.792 42.059 -0.120 0.000 1.317 359 L HN 0.527 nan 8.230 nan 0.000 0.407 360 V N 3.748 123.609 119.914 -0.089 0.000 2.569 360 V HA 0.907 5.027 4.120 0.001 0.000 0.301 360 V C 0.267 176.307 176.094 -0.089 0.000 1.044 360 V CA -0.286 61.968 62.300 -0.077 0.000 0.874 360 V CB 1.551 33.342 31.823 -0.053 0.000 1.002 360 V HN 0.976 nan 8.190 nan 0.000 0.424 361 G N 1.600 110.336 108.800 -0.105 0.000 2.642 361 G HA2 0.936 4.896 3.960 0.001 0.000 0.293 361 G HA3 0.936 4.896 3.960 0.001 0.000 0.293 361 G C -0.300 174.440 174.900 -0.266 0.000 1.341 361 G CA -0.180 44.831 45.100 -0.148 0.000 0.916 361 G HN 1.464 nan 8.290 nan 0.000 0.474 362 G N -0.745 107.655 108.800 -0.666 0.000 2.346 362 G HA2 0.465 4.426 3.960 0.001 0.000 0.294 362 G HA3 0.465 4.426 3.960 0.001 0.000 0.294 362 G C -0.631 173.599 174.900 -1.117 0.000 1.294 362 G CA -0.124 44.490 45.100 -0.809 0.000 0.962 362 G HN 1.182 nan 8.290 nan 0.000 0.508 363 Q N -0.432 118.990 119.800 -0.630 0.000 2.260 363 Q HA 0.699 5.039 4.340 0.001 0.000 0.242 363 Q C -0.348 175.567 176.000 -0.143 0.000 0.932 363 Q CA -0.503 55.127 55.803 -0.290 0.000 0.891 363 Q CB 1.858 30.557 28.738 -0.064 0.000 1.222 363 Q HN 0.601 nan 8.270 nan 0.000 0.453 364 K N 1.812 122.241 120.400 0.047 0.000 2.426 364 K HA 0.148 4.468 4.320 0.001 0.000 0.254 364 K C -0.791 175.943 176.600 0.224 0.000 0.936 364 K CA -0.590 55.775 56.287 0.130 0.000 0.801 364 K CB 1.434 34.038 32.500 0.173 0.000 1.139 364 K HN 0.810 nan 8.250 nan 0.000 0.424 365 E N 2.499 122.783 120.200 0.140 0.000 2.436 365 E HA 0.114 4.465 4.350 0.001 0.000 0.262 365 E C 0.036 176.730 176.600 0.156 0.000 1.063 365 E CA -0.086 56.369 56.400 0.092 0.000 0.944 365 E CB 0.949 30.678 29.700 0.048 0.000 0.950 365 E HN 0.741 nan 8.360 nan 0.000 0.444 366 G N 1.604 110.346 108.800 -0.096 0.000 2.451 366 G HA2 0.568 4.528 3.960 0.001 0.000 0.188 366 G HA3 0.568 4.528 3.960 0.001 0.000 0.188 366 G C -0.309 174.237 174.900 -0.589 0.000 1.512 366 G CA 0.272 45.193 45.100 -0.299 0.000 0.679 366 G HN 0.936 nan 8.290 nan 0.000 0.640 367 A N -1.166 121.047 122.820 -1.010 0.000 2.490 367 A HA 0.620 4.940 4.320 0.001 0.000 0.292 367 A C -1.155 176.225 177.584 -0.340 0.000 1.047 367 A CA -0.744 50.983 52.037 -0.518 0.000 0.632 367 A CB 0.256 18.977 19.000 -0.466 0.000 1.323 367 A HN 0.196 nan 8.150 nan 0.000 0.448 368 R N 0.414 120.944 120.500 0.050 0.000 2.513 368 R HA 0.335 4.675 4.340 0.001 0.000 0.333 368 R C 1.244 177.602 176.300 0.096 0.000 0.925 368 R CA 1.544 57.691 56.100 0.077 0.000 1.072 368 R CB -0.585 29.757 30.300 0.070 0.000 0.914 368 R HN 2.102 nan 8.270 nan 0.000 0.408 369 G N 2.387 111.205 108.800 0.031 0.000 2.352 369 G HA2 -0.241 3.719 3.960 0.001 0.000 0.204 369 G HA3 -0.241 3.719 3.960 0.001 0.000 0.204 369 G C -0.228 174.761 174.900 0.149 0.000 1.004 369 G CA 0.019 45.193 45.100 0.123 0.000 0.648 369 G HN 0.599 nan 8.290 nan 0.000 0.491 370 F N -0.729 119.149 119.950 -0.121 0.000 2.619 370 F HA 0.901 5.428 4.527 0.001 0.000 0.308 370 F C -0.673 174.846 175.800 -0.469 0.000 1.097 370 F CA -1.621 56.166 58.000 -0.356 0.000 0.953 370 F CB 1.163 39.694 39.000 -0.781 0.000 1.287 370 F HN 0.147 nan 8.300 nan 0.000 0.446 371 M N 1.978 121.380 119.600 -0.331 0.000 2.779 371 M HA 0.681 5.162 4.480 0.001 0.000 0.277 371 M C -1.819 174.225 176.300 -0.428 0.000 1.284 371 M CA -0.611 54.455 55.300 -0.389 0.000 0.801 371 M CB 3.084 35.647 32.600 -0.062 0.000 1.712 371 M HN 0.667 nan 8.290 nan 0.000 0.453 372 F N -0.271 119.822 119.950 0.238 0.000 2.620 372 F HA 0.683 5.211 4.527 0.000 0.000 0.320 372 F C -1.084 174.889 175.800 0.288 0.000 1.069 372 F CA -0.775 57.411 58.000 0.310 0.000 0.953 372 F CB 1.409 40.569 39.000 0.267 0.000 1.322 372 F HN 0.287 nan 8.300 nan 0.000 0.479 373 F N 3.565 123.776 119.950 0.435 0.000 2.518 373 F HA 0.740 5.267 4.527 0.001 0.000 0.323 373 F C -0.761 175.254 175.800 0.358 0.000 1.129 373 F CA -1.140 57.047 58.000 0.312 0.000 0.920 373 F CB 1.121 40.266 39.000 0.241 0.000 1.160 373 F HN 0.417 nan 8.300 nan 0.000 0.440 374 I N 3.831 124.347 120.570 -0.090 0.000 2.846 374 I HA 0.698 4.868 4.170 0.001 0.000 0.307 374 I C -1.415 174.710 176.117 0.014 0.000 1.053 374 I CA -1.064 60.276 61.300 0.067 0.000 1.050 374 I CB 2.620 40.632 38.000 0.020 0.000 1.239 374 I HN 0.514 nan 8.210 nan 0.000 0.439 375 I N 3.448 124.067 120.570 0.081 0.000 2.603 375 I HA 0.314 4.484 4.170 0.001 0.000 0.276 375 I C -1.232 174.868 176.117 -0.028 0.000 1.133 375 I CA -0.352 60.966 61.300 0.029 0.000 1.070 375 I CB 1.168 39.213 38.000 0.074 0.000 1.215 375 I HN 0.539 nan 8.210 nan 0.000 0.487 376 N N 4.558 123.226 118.700 -0.054 0.000 2.443 376 N HA 0.656 5.397 4.740 0.001 0.000 0.295 376 N C -0.876 174.531 175.510 -0.172 0.000 1.076 376 N CA -0.445 52.527 53.050 -0.130 0.000 0.919 376 N CB 3.118 41.574 38.487 -0.051 0.000 1.176 376 N HN 0.181 nan 8.380 nan 0.000 0.487 377 V N 0.728 120.491 119.914 -0.252 0.000 3.007 377 V HA 0.221 4.341 4.120 0.001 0.000 0.311 377 V C -0.830 175.148 176.094 -0.192 0.000 1.120 377 V CA -0.837 61.359 62.300 -0.173 0.000 0.980 377 V CB 2.847 34.603 31.823 -0.112 0.000 1.033 377 V HN 0.664 nan 8.190 nan 0.000 0.429 378 D N 2.536 122.870 120.400 -0.110 0.000 2.329 378 D HA 0.476 5.116 4.640 0.001 0.000 0.246 378 D C -0.858 175.415 176.300 -0.044 0.000 1.111 378 D CA 0.173 54.127 54.000 -0.076 0.000 0.941 378 D CB 0.958 41.738 40.800 -0.034 0.000 1.169 378 D HN 0.406 nan 8.370 nan 0.000 0.441 379 L N 1.970 123.177 121.223 -0.026 0.000 2.381 379 L HA 0.331 4.672 4.340 0.001 0.000 0.274 379 L C 0.439 177.322 176.870 0.022 0.000 0.988 379 L CA -0.745 54.095 54.840 -0.000 0.000 0.824 379 L CB 1.990 44.038 42.059 -0.019 0.000 1.263 379 L HN 0.413 nan 8.230 nan 0.000 0.410 380 T N 0.215 114.803 114.554 0.056 0.000 2.810 380 T HA 0.131 4.482 4.350 0.001 0.000 0.277 380 T C 1.124 175.857 174.700 0.055 0.000 0.973 380 T CA -0.201 61.938 62.100 0.065 0.000 0.949 380 T CB 0.937 69.868 68.868 0.106 0.000 1.075 380 T HN 0.697 nan 8.240 nan 0.000 0.537 381 E N 0.279 120.510 120.200 0.052 0.000 2.110 381 E HA -0.126 4.224 4.350 0.001 0.000 0.193 381 E C 2.006 178.645 176.600 0.066 0.000 0.988 381 E CA 0.944 57.367 56.400 0.038 0.000 0.804 381 E CB 0.118 29.836 29.700 0.031 0.000 0.745 381 E HN 0.517 nan 8.360 nan 0.000 0.458 382 E N 0.029 120.308 120.200 0.131 0.000 2.072 382 E HA -0.084 4.266 4.350 0.001 0.000 0.190 382 E C 2.214 178.914 176.600 0.166 0.000 0.982 382 E CA 0.846 57.374 56.400 0.214 0.000 0.803 382 E CB -0.399 29.492 29.700 0.318 0.000 0.755 382 E HN 0.318 nan 8.360 nan 0.000 0.453 383 G N 1.702 110.581 108.800 0.133 0.000 2.442 383 G HA2 -0.264 3.696 3.960 0.001 0.000 0.219 383 G HA3 -0.264 3.696 3.960 0.001 0.000 0.219 383 G C 1.619 176.453 174.900 -0.110 0.000 1.141 383 G CA 0.860 45.922 45.100 -0.064 0.000 0.763 383 G HN 0.257 nan 8.290 nan 0.000 0.554 384 L N 0.181 121.380 121.223 -0.040 0.000 2.187 384 L HA 0.093 4.434 4.340 0.001 0.000 0.213 384 L C 2.294 179.114 176.870 -0.083 0.000 1.100 384 L CA 1.338 56.145 54.840 -0.056 0.000 0.765 384 L CB -0.138 41.884 42.059 -0.061 0.000 0.904 384 L HN 0.230 nan 8.230 nan 0.000 0.437 385 L N -1.875 119.290 121.223 -0.096 0.000 2.592 385 L HA 0.050 4.390 4.340 0.001 0.000 0.227 385 L C 0.530 177.139 176.870 -0.434 0.000 1.127 385 L CA 0.077 54.803 54.840 -0.191 0.000 0.884 385 L CB -0.234 41.739 42.059 -0.144 0.000 1.065 385 L HN 0.279 nan 8.230 nan 0.000 0.457 386 H N -2.108 116.739 119.070 -0.372 0.000 2.549 386 H HA 0.166 4.722 4.556 0.001 0.000 0.253 386 H C 1.388 176.416 175.328 -0.499 0.000 1.170 386 H CA -0.213 55.483 56.048 -0.588 0.000 0.943 386 H CB 0.521 29.483 29.762 -1.334 0.000 1.849 386 H HN -0.135 nan 8.280 nan 0.000 0.603 387 V N 0.063 119.874 119.914 -0.173 0.000 2.332 387 V HA -0.276 3.844 4.120 0.001 0.000 0.248 387 V C 2.371 178.498 176.094 0.055 0.000 1.055 387 V CA 2.192 64.458 62.300 -0.057 0.000 1.038 387 V CB -0.068 31.772 31.823 0.029 0.000 0.651 387 V HN 0.614 nan 8.190 nan 0.000 0.450 388 E N -0.246 120.020 120.200 0.110 0.000 2.077 388 E HA -0.257 4.093 4.350 0.001 0.000 0.193 388 E C 1.906 178.716 176.600 0.351 0.000 0.989 388 E CA 1.492 58.086 56.400 0.324 0.000 0.800 388 E CB -0.046 29.763 29.700 0.181 0.000 0.746 388 E HN 0.610 nan 8.360 nan 0.000 0.452 389 D N 0.264 120.737 120.400 0.122 0.000 2.117 389 D HA -0.125 4.515 4.640 0.001 0.000 0.198 389 D C 2.049 178.457 176.300 0.180 0.000 0.982 389 D CA 0.762 54.861 54.000 0.165 0.000 0.828 389 D CB -0.142 40.627 40.800 -0.053 0.000 0.967 389 D HN 0.290 nan 8.370 nan 0.000 0.464 390 I N 0.911 121.447 120.570 -0.058 0.000 2.163 390 I HA -0.246 3.924 4.170 0.001 0.000 0.243 390 I C 2.434 178.616 176.117 0.109 0.000 1.085 390 I CA 0.872 62.202 61.300 0.051 0.000 1.347 390 I CB -0.192 37.791 38.000 -0.027 0.000 1.044 390 I HN -0.045 nan 8.210 nan 0.000 0.408 391 I N 0.219 120.806 120.570 0.029 0.000 2.286 391 I HA -0.285 3.886 4.170 0.001 0.000 0.248 391 I C 2.530 178.566 176.117 -0.135 0.000 1.115 391 I CA 1.022 62.196 61.300 -0.210 0.000 1.392 391 I CB -0.289 37.426 38.000 -0.476 0.000 1.065 391 I HN 0.272 nan 8.210 nan 0.000 0.418 392 L N 0.585 121.946 121.223 0.230 0.000 2.046 392 L HA -0.245 4.095 4.340 0.001 0.000 0.208 392 L C 2.440 179.561 176.870 0.417 0.000 1.077 392 L CA 2.128 57.236 54.840 0.447 0.000 0.747 392 L CB -0.886 41.531 42.059 0.597 0.000 0.896 392 L HN 0.177 nan 8.230 nan 0.000 0.432 393 H N -1.054 118.193 119.070 0.294 0.000 2.387 393 H HA -0.082 4.474 4.556 0.001 0.000 0.299 393 H C 2.157 177.593 175.328 0.181 0.000 1.090 393 H CA 2.113 58.388 56.048 0.379 0.000 1.332 393 H CB -0.288 29.755 29.762 0.468 0.000 1.386 393 H HN 0.348 nan 8.280 nan 0.000 0.516 394 M N -1.005 118.661 119.600 0.109 0.000 2.086 394 M HA -0.155 4.325 4.480 0.001 0.000 0.261 394 M C 1.599 177.808 176.300 -0.151 0.000 1.067 394 M CA 1.683 56.898 55.300 -0.141 0.000 1.116 394 M CB -0.413 31.975 32.600 -0.354 0.000 1.348 394 M HN 0.184 nan 8.290 nan 0.000 0.407 395 F N 0.391 120.361 119.950 0.033 0.000 2.293 395 F HA -0.181 4.346 4.527 0.001 0.000 0.300 395 F C 2.590 178.428 175.800 0.063 0.000 1.086 395 F CA 0.984 59.006 58.000 0.037 0.000 1.375 395 F CB -0.315 38.708 39.000 0.038 0.000 1.045 395 F HN 0.229 nan 8.300 nan 0.000 0.516 396 Q N -1.024 118.937 119.800 0.268 0.000 2.119 396 Q HA -0.232 4.109 4.340 0.001 0.000 0.201 396 Q C 1.918 178.001 176.000 0.139 0.000 0.972 396 Q CA 1.581 57.527 55.803 0.238 0.000 0.847 396 Q CB -0.393 28.540 28.738 0.324 0.000 0.903 396 Q HN 0.533 nan 8.270 nan 0.000 0.433 397 Y N 1.024 121.207 120.300 -0.194 0.000 2.200 397 Y HA -0.162 4.389 4.550 0.001 0.000 0.290 397 Y C 1.872 177.666 175.900 -0.176 0.000 1.137 397 Y CA 1.178 59.016 58.100 -0.437 0.000 1.163 397 Y CB -0.002 37.979 38.460 -0.798 0.000 0.988 397 Y HN 0.003 nan 8.280 nan 0.000 0.518 398 I N -0.027 120.541 120.570 -0.004 0.000 2.286 398 I HA -0.301 3.869 4.170 0.001 0.000 0.248 398 I C 2.298 178.384 176.117 -0.051 0.000 1.115 398 I CA 1.589 62.872 61.300 -0.028 0.000 1.392 398 I CB -0.346 37.663 38.000 0.015 0.000 1.065 398 I HN 0.250 nan 8.210 nan 0.000 0.418 399 Q N 1.450 121.255 119.800 0.009 0.000 2.167 399 Q HA -0.235 4.105 4.340 0.001 0.000 0.202 399 Q C 1.960 177.938 176.000 -0.036 0.000 0.970 399 Q CA 1.625 57.436 55.803 0.014 0.000 0.855 399 Q CB -0.142 28.637 28.738 0.068 0.000 0.911 399 Q HN 0.196 nan 8.270 nan 0.000 0.438 400 K N -0.260 120.080 120.400 -0.100 0.000 2.148 400 K HA -0.040 4.281 4.320 0.001 0.000 0.204 400 K C 1.683 178.187 176.600 -0.160 0.000 1.050 400 K CA 1.204 57.412 56.287 -0.132 0.000 0.942 400 K CB -0.321 32.050 32.500 -0.214 0.000 0.724 400 K HN 0.348 nan 8.250 nan 0.000 0.446 401 L N -0.135 120.957 121.223 -0.218 0.000 2.109 401 L HA -0.045 4.295 4.340 0.001 0.000 0.207 401 L C 2.585 179.430 176.870 -0.042 0.000 1.086 401 L CA 1.077 55.839 54.840 -0.130 0.000 0.760 401 L CB -0.338 41.649 42.059 -0.120 0.000 0.910 401 L HN 0.163 nan 8.230 nan 0.000 0.437 402 R N 0.050 120.524 120.500 -0.045 0.000 2.075 402 R HA -0.098 4.242 4.340 0.001 0.000 0.232 402 R C 2.403 178.697 176.300 -0.010 0.000 1.126 402 R CA 1.341 57.427 56.100 -0.023 0.000 0.963 402 R CB -0.331 29.956 30.300 -0.022 0.000 0.858 402 R HN 0.323 nan 8.270 nan 0.000 0.435 403 A N 0.481 123.295 122.820 -0.011 0.000 1.969 403 A HA -0.154 4.166 4.320 0.001 0.000 0.218 403 A C 1.836 179.427 177.584 0.012 0.000 1.169 403 A CA 1.328 53.367 52.037 0.002 0.000 0.635 403 A CB -0.110 18.893 19.000 0.004 0.000 0.810 403 A HN 0.170 nan 8.150 nan 0.000 0.445 404 E N -1.218 118.989 120.200 0.013 0.000 2.318 404 E HA 0.338 4.688 4.350 0.001 0.000 0.193 404 E C 0.946 177.583 176.600 0.062 0.000 0.998 404 E CA 0.837 57.261 56.400 0.041 0.000 0.859 404 E CB 0.018 29.744 29.700 0.043 0.000 0.812 404 E HN 0.786 nan 8.360 nan 0.000 0.492 405 G N 1.343 110.172 108.800 0.049 0.000 2.785 405 G HA2 -0.193 3.767 3.960 0.001 0.000 0.685 405 G HA3 -0.193 3.767 3.960 0.001 0.000 0.685 405 G C -2.390 172.577 174.900 0.112 0.000 1.480 405 G CA -0.437 44.696 45.100 0.056 0.000 0.915 405 G HN 0.102 nan 8.290 nan 0.000 0.576 406 P HA 0.097 nan 4.420 nan 0.000 0.264 406 P C -0.624 176.856 177.300 0.300 0.000 1.183 406 P CA 0.484 63.689 63.100 0.174 0.000 0.763 406 P CB 0.650 32.322 31.700 -0.046 0.000 0.807 407 Q N 2.236 122.237 119.800 0.334 0.000 2.400 407 Q HA 0.135 4.475 4.340 0.001 0.000 0.255 407 Q C 1.012 176.899 176.000 -0.188 0.000 1.008 407 Q CA -0.238 55.646 55.803 0.135 0.000 0.841 407 Q CB 1.633 30.395 28.738 0.040 0.000 1.220 407 Q HN 0.593 nan 8.270 nan 0.000 0.474 408 E N 4.217 124.136 120.200 -0.468 0.000 2.150 408 E HA -0.138 4.213 4.350 0.001 0.000 0.193 408 E C 1.335 177.723 176.600 -0.353 0.000 0.985 408 E CA 1.133 56.908 56.400 -1.042 0.000 0.814 408 E CB 0.143 29.317 29.700 -0.876 0.000 0.752 408 E HN 0.763 nan 8.360 nan 0.000 0.466 409 W N 0.300 121.522 121.300 -0.129 0.000 2.374 409 W HA -0.129 4.532 4.660 0.000 0.000 0.288 409 W C 1.365 177.902 176.519 0.031 0.000 1.218 409 W CA 0.541 57.867 57.345 -0.031 0.000 1.245 409 W CB -0.917 28.541 29.460 -0.003 0.000 1.126 409 W HN -0.082 nan 8.180 nan 0.000 0.545 410 V N 1.725 121.035 119.914 -1.008 0.000 2.270 410 V HA -0.314 3.806 4.120 0.001 0.000 0.245 410 V C 2.380 178.328 176.094 -0.244 0.000 1.043 410 V CA 2.441 64.225 62.300 -0.859 0.000 1.014 410 V CB -1.418 30.004 31.823 -0.669 0.000 0.645 410 V HN 0.135 nan 8.190 nan 0.000 0.447 411 F N 1.033 120.866 119.950 -0.195 0.000 2.091 411 F HA -0.301 4.226 4.527 0.001 0.000 0.299 411 F C 2.554 178.300 175.800 -0.090 0.000 1.103 411 F CA 2.450 60.415 58.000 -0.059 0.000 1.228 411 F CB -0.376 38.565 39.000 -0.098 0.000 0.984 411 F HN 0.143 nan 8.300 nan 0.000 0.477 412 Q N 0.758 120.529 119.800 -0.048 0.000 2.084 412 Q HA -0.239 4.102 4.340 0.001 0.000 0.202 412 Q C 2.241 178.187 176.000 -0.091 0.000 0.978 412 Q CA 2.180 57.942 55.803 -0.067 0.000 0.844 412 Q CB -0.523 28.247 28.738 0.054 0.000 0.898 412 Q HN 0.668 nan 8.270 nan 0.000 0.426 413 E N -1.292 118.882 120.200 -0.043 0.000 2.077 413 E HA -0.194 4.156 4.350 0.001 0.000 0.193 413 E C 1.828 178.378 176.600 -0.084 0.000 0.989 413 E CA 1.454 57.855 56.400 0.002 0.000 0.800 413 E CB -0.132 29.618 29.700 0.083 0.000 0.746 413 E HN 0.507 nan 8.360 nan 0.000 0.452 414 C N 0.812 119.992 119.300 -0.200 0.000 2.429 414 C HA -0.072 4.388 4.460 0.001 0.000 0.277 414 C C 2.622 177.472 174.990 -0.233 0.000 1.262 414 C CA 0.942 59.814 59.018 -0.243 0.000 1.733 414 C CB -0.799 26.730 27.740 -0.353 0.000 2.010 414 C HN 0.499 nan 8.230 nan 0.000 0.483 415 K N 1.015 121.201 120.400 -0.357 0.000 2.009 415 K HA -0.211 4.109 4.320 0.001 0.000 0.210 415 K C 1.539 178.054 176.600 -0.142 0.000 1.049 415 K CA 2.114 58.209 56.287 -0.319 0.000 0.929 415 K CB -0.283 31.959 32.500 -0.430 0.000 0.714 415 K HN 0.411 nan 8.250 nan 0.000 0.440 416 D N 0.607 120.951 120.400 -0.093 0.000 2.144 416 D HA -0.148 4.493 4.640 0.001 0.000 0.199 416 D C 1.916 178.218 176.300 0.004 0.000 0.984 416 D CA 0.713 54.698 54.000 -0.025 0.000 0.834 416 D CB -0.046 40.760 40.800 0.010 0.000 0.955 416 D HN 0.142 nan 8.370 nan 0.000 0.465 417 L N 1.285 122.511 121.223 0.005 0.000 2.056 417 L HA -0.087 4.253 4.340 0.001 0.000 0.207 417 L C 1.767 178.683 176.870 0.077 0.000 1.078 417 L CA 1.403 56.274 54.840 0.053 0.000 0.749 417 L CB -1.105 40.980 42.059 0.044 0.000 0.901 417 L HN -0.056 nan 8.230 nan 0.000 0.433 418 N N -0.205 118.517 118.700 0.037 0.000 2.223 418 N HA -0.105 4.635 4.740 0.001 0.000 0.185 418 N C 1.824 177.415 175.510 0.137 0.000 1.016 418 N CA 1.338 54.451 53.050 0.105 0.000 0.863 418 N CB -0.270 38.234 38.487 0.029 0.000 0.983 418 N HN 0.358 nan 8.380 nan 0.000 0.429 419 A N 0.314 123.160 122.820 0.044 0.000 1.898 419 A HA -0.055 4.265 4.320 0.001 0.000 0.216 419 A C 2.389 179.962 177.584 -0.018 0.000 1.181 419 A CA 1.182 53.230 52.037 0.017 0.000 0.620 419 A CB -0.677 18.306 19.000 -0.027 0.000 0.819 419 A HN 0.100 nan 8.150 nan 0.000 0.442 420 V N -0.143 119.763 119.914 -0.013 0.000 2.307 420 V HA -0.213 3.907 4.120 0.001 0.000 0.245 420 V C 3.055 179.191 176.094 0.069 0.000 1.045 420 V CA 1.842 64.101 62.300 -0.069 0.000 1.024 420 V CB -1.260 30.555 31.823 -0.012 0.000 0.651 420 V HN 0.603 nan 8.190 nan 0.000 0.449 421 A N -0.266 122.680 122.820 0.211 0.000 1.883 421 A HA -0.258 4.063 4.320 0.001 0.000 0.217 421 A C 2.130 179.778 177.584 0.108 0.000 1.186 421 A CA 2.126 54.341 52.037 0.297 0.000 0.624 421 A CB -0.766 18.460 19.000 0.376 0.000 0.822 421 A HN 0.514 nan 8.150 nan 0.000 0.444 422 F N 0.574 120.412 119.950 -0.188 0.000 2.134 422 F HA -0.149 4.379 4.527 0.001 0.000 0.299 422 F C 2.348 177.893 175.800 -0.426 0.000 1.097 422 F CA 1.971 59.610 58.000 -0.602 0.000 1.264 422 F CB -0.308 38.351 39.000 -0.569 0.000 1.001 422 F HN 0.226 nan 8.300 nan 0.000 0.479 423 R N -0.435 119.794 120.500 -0.451 0.000 2.070 423 R HA -0.158 4.182 4.340 0.001 0.000 0.233 423 R C 1.473 177.372 176.300 -0.669 0.000 1.137 423 R CA 1.909 57.593 56.100 -0.695 0.000 0.945 423 R CB -0.677 29.091 30.300 -0.887 0.000 0.845 423 R HN 0.356 nan 8.270 nan 0.000 0.430 424 F N 1.463 121.302 119.950 -0.186 0.000 2.713 424 F HA 0.230 4.757 4.527 0.000 0.000 0.294 424 F C 0.412 176.147 175.800 -0.109 0.000 1.152 424 F CA -0.555 57.385 58.000 -0.100 0.000 1.385 424 F CB 0.212 39.234 39.000 0.036 0.000 0.981 424 F HN -0.081 nan 8.300 nan 0.000 0.514 425 K N 1.530 121.863 120.400 -0.112 0.000 2.489 425 K HA -0.026 4.294 4.320 0.001 0.000 0.278 425 K C -0.109 176.413 176.600 -0.129 0.000 1.000 425 K CA -0.307 55.896 56.287 -0.140 0.000 1.012 425 K CB 0.423 32.720 32.500 -0.338 0.000 0.903 425 K HN 0.011 nan 8.250 nan 0.000 0.485 426 D N 3.366 123.694 120.400 -0.119 0.000 2.382 426 D HA -0.006 4.634 4.640 0.001 0.000 0.245 426 D C -0.177 176.008 176.300 -0.191 0.000 1.120 426 D CA 0.158 54.055 54.000 -0.171 0.000 0.890 426 D CB 0.930 41.608 40.800 -0.203 0.000 1.201 426 D HN 0.398 nan 8.370 nan 0.000 0.433 427 K N 1.856 122.138 120.400 -0.196 0.000 2.447 427 K HA -0.001 4.320 4.320 0.001 0.000 0.281 427 K C -0.234 176.221 176.600 -0.241 0.000 1.031 427 K CA -0.144 56.020 56.287 -0.206 0.000 1.019 427 K CB 0.459 32.889 32.500 -0.116 0.000 0.918 427 K HN 0.209 nan 8.250 nan 0.000 0.476 428 E N 2.714 122.701 120.200 -0.356 0.000 2.345 428 E HA 0.189 4.539 4.350 0.001 0.000 0.259 428 E C -0.524 175.948 176.600 -0.213 0.000 1.117 428 E CA -0.421 55.795 56.400 -0.308 0.000 0.913 428 E CB 0.667 30.102 29.700 -0.441 0.000 1.057 428 E HN 0.397 nan 8.360 nan 0.000 0.432 429 R N 2.152 122.587 120.500 -0.108 0.000 2.389 429 R HA 0.102 4.442 4.340 0.001 0.000 0.295 429 R C -1.701 174.602 176.300 0.004 0.000 1.075 429 R CA -1.355 54.719 56.100 -0.044 0.000 1.005 429 R CB 0.160 30.448 30.300 -0.019 0.000 0.987 429 R HN 0.423 nan 8.270 nan 0.000 0.452 430 P HA -0.287 nan 4.420 nan 0.000 0.216 430 P C 1.065 178.400 177.300 0.058 0.000 1.167 430 P CA 1.413 64.554 63.100 0.069 0.000 0.914 430 P CB 0.096 31.818 31.700 0.036 0.000 0.793 431 R N -0.762 119.755 120.500 0.029 0.000 2.094 431 R HA -0.137 4.203 4.340 0.001 0.000 0.239 431 R C 2.441 178.708 176.300 -0.054 0.000 1.137 431 R CA 2.202 58.310 56.100 0.013 0.000 0.943 431 R CB -1.333 29.017 30.300 0.085 0.000 0.850 431 R HN 0.223 nan 8.270 nan 0.000 0.433 432 G N -0.918 107.857 108.800 -0.041 0.000 2.422 432 G HA2 -0.291 3.669 3.960 0.001 0.000 0.218 432 G HA3 -0.291 3.669 3.960 0.001 0.000 0.218 432 G C 1.179 176.099 174.900 0.033 0.000 1.140 432 G CA 0.458 45.513 45.100 -0.076 0.000 0.775 432 G HN 0.367 nan 8.290 nan 0.000 0.545 433 Y N 2.716 122.976 120.300 -0.067 0.000 2.163 433 Y HA -0.178 4.372 4.550 0.001 0.000 0.288 433 Y C 3.210 179.091 175.900 -0.031 0.000 1.136 433 Y CA 1.907 59.989 58.100 -0.030 0.000 1.147 433 Y CB -0.733 37.722 38.460 -0.008 0.000 0.987 433 Y HN 0.301 nan 8.280 nan 0.000 0.509 434 T N -3.157 111.386 114.554 -0.018 0.000 2.777 434 T HA -0.198 4.152 4.350 0.001 0.000 0.266 434 T C 2.275 176.921 174.700 -0.090 0.000 1.040 434 T CA 1.532 63.560 62.100 -0.121 0.000 1.141 434 T CB -1.083 67.710 68.868 -0.126 0.000 0.868 434 T HN 0.306 nan 8.240 nan 0.000 0.444 435 S N 1.493 117.153 115.700 -0.067 0.000 2.359 435 S HA -0.180 4.290 4.470 0.001 0.000 0.224 435 S C 2.153 176.759 174.600 0.010 0.000 1.035 435 S CA 1.887 60.073 58.200 -0.022 0.000 1.018 435 S CB -0.495 62.559 63.200 -0.242 0.000 0.876 435 S HN 0.515 nan 8.310 nan 0.000 0.448 436 K N 1.271 121.658 120.400 -0.020 0.000 2.026 436 K HA 0.075 4.395 4.320 0.001 0.000 0.208 436 K C 1.935 178.513 176.600 -0.036 0.000 1.048 436 K CA 1.850 58.135 56.287 -0.004 0.000 0.929 436 K CB -0.833 31.677 32.500 0.016 0.000 0.713 436 K HN 0.544 nan 8.250 nan 0.000 0.439 437 I N 0.538 121.040 120.570 -0.113 0.000 2.226 437 I HA -0.266 3.904 4.170 0.001 0.000 0.245 437 I C 2.228 178.283 176.117 -0.103 0.000 1.100 437 I CA 1.267 62.480 61.300 -0.144 0.000 1.374 437 I CB -0.445 37.389 38.000 -0.277 0.000 1.057 437 I HN 0.267 nan 8.210 nan 0.000 0.413 438 A N 0.775 123.539 122.820 -0.094 0.000 2.024 438 A HA -0.142 4.179 4.320 0.001 0.000 0.220 438 A C 2.372 179.915 177.584 -0.067 0.000 1.164 438 A CA 1.946 53.926 52.037 -0.094 0.000 0.643 438 A CB -1.228 17.749 19.000 -0.037 0.000 0.806 438 A HN 0.497 nan 8.150 nan 0.000 0.451 439 G N 0.565 109.362 108.800 -0.004 0.000 2.396 439 G HA2 -0.046 3.914 3.960 0.001 0.000 0.214 439 G HA3 -0.046 3.914 3.960 0.001 0.000 0.214 439 G C 1.438 176.393 174.900 0.093 0.000 1.166 439 G CA 0.926 46.041 45.100 0.024 0.000 0.793 439 G HN 0.783 nan 8.290 nan 0.000 0.533 440 I N -1.413 119.204 120.570 0.079 0.000 3.291 440 I HA 0.233 4.404 4.170 0.001 0.000 0.279 440 I C 2.087 178.296 176.117 0.153 0.000 1.294 440 I CA 0.274 61.694 61.300 0.200 0.000 1.428 440 I CB -0.165 37.975 38.000 0.232 0.000 1.070 440 I HN -0.013 nan 8.210 nan 0.000 0.478 441 L N 0.905 122.110 121.223 -0.030 0.000 2.353 441 L HA -0.129 4.211 4.340 0.001 0.000 0.220 441 L C 2.372 179.126 176.870 -0.194 0.000 1.133 441 L CA 0.829 55.593 54.840 -0.128 0.000 0.798 441 L CB -0.807 41.106 42.059 -0.242 0.000 0.922 441 L HN 0.419 nan 8.230 nan 0.000 0.445 442 H N -2.092 116.934 119.070 -0.073 0.000 2.535 442 H HA -0.004 4.552 4.556 0.001 0.000 0.273 442 H C 1.144 176.196 175.328 -0.460 0.000 0.983 442 H CA 0.978 56.882 56.048 -0.240 0.000 1.238 442 H CB 0.382 29.930 29.762 -0.356 0.000 1.412 442 H HN 0.386 nan 8.280 nan 0.000 0.562 443 Y N -1.533 118.619 120.300 -0.245 0.000 2.444 443 Y HA 0.147 4.697 4.550 0.000 0.000 0.252 443 Y C -0.164 175.217 175.900 -0.864 0.000 1.091 443 Y CA -0.271 57.459 58.100 -0.617 0.000 1.276 443 Y CB 0.657 38.514 38.460 -1.005 0.000 1.170 443 Y HN -0.063 nan 8.280 nan 0.000 0.517 444 Y N -0.518 119.786 120.300 0.008 0.000 2.545 444 Y HA 0.559 5.110 4.550 0.001 0.000 0.348 444 Y C -2.518 173.361 175.900 -0.034 0.000 1.002 444 Y CA -3.967 54.087 58.100 -0.076 0.000 1.039 444 Y CB 0.509 38.857 38.460 -0.186 0.000 1.271 444 Y HN -0.255 nan 8.280 nan 0.000 0.467 445 P HA 0.012 nan 4.420 nan 0.000 0.268 445 P C 0.594 177.932 177.300 0.062 0.000 1.208 445 P CA -0.207 62.944 63.100 0.086 0.000 0.777 445 P CB 0.740 32.498 31.700 0.096 0.000 0.875 446 L N 2.241 123.482 121.223 0.030 0.000 2.034 446 L HA -0.241 4.100 4.340 0.001 0.000 0.217 446 L C 1.921 178.797 176.870 0.011 0.000 1.077 446 L CA 2.072 56.919 54.840 0.012 0.000 0.769 446 L CB -1.593 40.469 42.059 0.006 0.000 0.890 446 L HN 0.449 nan 8.230 nan 0.000 0.435 447 E N -0.665 119.550 120.200 0.025 0.000 2.204 447 E HA -0.136 4.214 4.350 0.001 0.000 0.194 447 E C 1.833 178.428 176.600 -0.009 0.000 0.989 447 E CA 0.858 57.270 56.400 0.020 0.000 0.824 447 E CB -0.120 29.607 29.700 0.044 0.000 0.756 447 E HN 0.557 nan 8.360 nan 0.000 0.477 448 E N -0.109 120.089 120.200 -0.003 0.000 2.474 448 E HA 0.046 4.397 4.350 0.001 0.000 0.195 448 E C 1.533 178.059 176.600 -0.123 0.000 1.039 448 E CA -0.094 56.275 56.400 -0.053 0.000 0.881 448 E CB 0.504 30.205 29.700 0.001 0.000 0.970 448 E HN 0.027 nan 8.360 nan 0.000 0.486 449 V N 0.901 120.775 119.914 -0.065 0.000 2.469 449 V HA -0.237 3.883 4.120 0.001 0.000 0.251 449 V C 1.686 177.706 176.094 -0.123 0.000 1.064 449 V CA 1.505 63.767 62.300 -0.064 0.000 1.066 449 V CB -0.019 31.789 31.823 -0.025 0.000 0.667 449 V HN 0.246 nan 8.190 nan 0.000 0.461 450 L N 0.236 121.383 121.223 -0.127 0.000 2.270 450 L HA 0.024 4.365 4.340 0.001 0.000 0.210 450 L C 2.580 179.386 176.870 -0.105 0.000 1.104 450 L CA 2.316 57.118 54.840 -0.063 0.000 0.804 450 L CB -0.906 41.100 42.059 -0.088 0.000 0.937 450 L HN 0.656 nan 8.230 nan 0.000 0.450 451 T N -5.049 109.324 114.554 -0.301 0.000 3.040 451 T HA 0.179 4.529 4.350 0.001 0.000 0.252 451 T C 1.968 176.419 174.700 -0.416 0.000 1.064 451 T CA 0.492 62.244 62.100 -0.580 0.000 1.110 451 T CB -0.206 68.328 68.868 -0.556 0.000 0.921 451 T HN 0.092 nan 8.240 nan 0.000 0.480 452 A N 2.660 125.214 122.820 -0.445 0.000 1.882 452 A HA -0.234 4.086 4.320 0.001 0.000 0.220 452 A C 1.873 179.130 177.584 -0.545 0.000 1.253 452 A CA 1.974 53.598 52.037 -0.687 0.000 0.664 452 A CB -0.937 17.059 19.000 -1.673 0.000 0.838 452 A HN 0.675 nan 8.150 nan 0.000 0.460 453 E N -2.752 117.157 120.200 -0.485 0.000 2.304 453 E HA 0.240 4.590 4.350 0.001 0.000 0.212 453 E C -0.189 176.272 176.600 -0.231 0.000 1.185 453 E CA -0.107 56.115 56.400 -0.297 0.000 1.326 453 E CB 0.062 29.618 29.700 -0.240 0.000 1.283 453 E HN 0.748 nan 8.360 nan 0.000 0.440 454 Y N -0.970 119.171 120.300 -0.264 0.000 3.006 454 Y HA 0.207 4.757 4.550 0.001 0.000 0.236 454 Y C 0.166 175.926 175.900 -0.233 0.000 1.088 454 Y CA -0.107 57.859 58.100 -0.223 0.000 1.307 454 Y CB 0.848 39.142 38.460 -0.278 0.000 1.445 454 Y HN -0.088 nan 8.280 nan 0.000 0.433 455 L N 2.270 123.423 121.223 -0.116 0.000 2.312 455 L HA 0.372 4.712 4.340 0.001 0.000 0.281 455 L C -0.755 176.071 176.870 -0.072 0.000 1.070 455 L CA -0.328 54.434 54.840 -0.131 0.000 0.805 455 L CB 1.179 43.099 42.059 -0.233 0.000 1.174 455 L HN -0.005 nan 8.230 nan 0.000 0.434 456 L N 2.669 123.846 121.223 -0.078 0.000 2.360 456 L HA 0.344 4.684 4.340 0.001 0.000 0.271 456 L C 0.681 177.578 176.870 0.045 0.000 1.057 456 L CA -0.368 54.455 54.840 -0.028 0.000 0.803 456 L CB 1.549 43.457 42.059 -0.252 0.000 1.207 456 L HN 0.690 nan 8.230 nan 0.000 0.445 457 E N 1.049 121.363 120.200 0.189 0.000 2.625 457 E HA 0.099 4.449 4.350 0.001 0.000 0.185 457 E C -0.303 176.471 176.600 0.289 0.000 1.085 457 E CA 0.157 56.659 56.400 0.170 0.000 1.137 457 E CB 0.364 30.112 29.700 0.081 0.000 1.687 457 E HN 0.671 nan 8.360 nan 0.000 0.512 458 E N 0.808 121.149 120.200 0.235 0.000 2.207 458 E HA 0.327 4.678 4.350 0.001 0.000 0.270 458 E C -0.973 175.521 176.600 -0.177 0.000 0.927 458 E CA -0.737 55.728 56.400 0.109 0.000 0.799 458 E CB 1.607 31.310 29.700 0.005 0.000 1.172 458 E HN -0.093 nan 8.360 nan 0.000 0.404 459 F N 2.976 122.565 119.950 -0.603 0.000 2.445 459 F HA 0.265 4.792 4.527 0.001 0.000 0.359 459 F C -0.213 175.241 175.800 -0.577 0.000 1.101 459 F CA -0.906 56.432 58.000 -1.103 0.000 1.177 459 F CB 0.560 39.084 39.000 -0.794 0.000 1.110 459 F HN 0.352 nan 8.300 nan 0.000 0.522 460 R N 8.554 128.470 120.500 -0.973 0.000 2.664 460 R HA 0.205 4.545 4.340 0.001 0.000 0.281 460 R C -1.961 173.772 176.300 -0.946 0.000 1.383 460 R CA -1.724 53.920 56.100 -0.759 0.000 1.563 460 R CB 0.426 30.439 30.300 -0.479 0.000 1.131 460 R HN 0.438 nan 8.270 nan 0.000 0.599 461 P HA -0.212 nan 4.420 nan 0.000 0.216 461 P C 0.687 177.680 177.300 -0.513 0.000 1.150 461 P CA 1.338 63.884 63.100 -0.924 0.000 0.837 461 P CB 0.293 31.566 31.700 -0.711 0.000 0.786 462 D N 0.420 120.570 120.400 -0.416 0.000 2.144 462 D HA -0.150 4.491 4.640 0.001 0.000 0.199 462 D C 2.137 178.257 176.300 -0.300 0.000 0.984 462 D CA 0.970 54.795 54.000 -0.291 0.000 0.834 462 D CB -1.033 39.626 40.800 -0.234 0.000 0.955 462 D HN 0.243 nan 8.370 nan 0.000 0.465 463 L N 0.097 121.089 121.223 -0.384 0.000 2.109 463 L HA -0.006 4.334 4.340 0.001 0.000 0.207 463 L C 2.825 179.506 176.870 -0.315 0.000 1.086 463 L CA 0.438 55.031 54.840 -0.412 0.000 0.760 463 L CB -0.246 41.465 42.059 -0.580 0.000 0.910 463 L HN -0.051 nan 8.230 nan 0.000 0.437 464 I N -0.056 120.311 120.570 -0.338 0.000 2.179 464 I HA -0.272 3.898 4.170 0.001 0.000 0.242 464 I C 2.377 178.388 176.117 -0.177 0.000 1.088 464 I CA 1.407 62.557 61.300 -0.249 0.000 1.357 464 I CB -0.259 37.505 38.000 -0.393 0.000 1.051 464 I HN 0.283 nan 8.210 nan 0.000 0.409 465 E N 0.345 120.427 120.200 -0.197 0.000 2.153 465 E HA -0.245 4.105 4.350 0.001 0.000 0.194 465 E C 2.201 178.725 176.600 -0.125 0.000 0.988 465 E CA 1.066 57.382 56.400 -0.141 0.000 0.811 465 E CB -0.161 29.457 29.700 -0.136 0.000 0.746 465 E HN 0.397 nan 8.360 nan 0.000 0.466 466 M N 0.996 120.510 119.600 -0.143 0.000 2.117 466 M HA -0.130 4.351 4.480 0.001 0.000 0.262 466 M C 2.089 178.334 176.300 -0.091 0.000 1.065 466 M CA 1.416 56.649 55.300 -0.111 0.000 1.114 466 M CB -0.117 32.405 32.600 -0.131 0.000 1.361 466 M HN 0.011 nan 8.290 nan 0.000 0.408 467 V N 0.423 120.274 119.914 -0.106 0.000 2.379 467 V HA -0.235 3.885 4.120 0.001 0.000 0.245 467 V C 2.569 178.556 176.094 -0.177 0.000 1.044 467 V CA 1.138 63.377 62.300 -0.101 0.000 1.036 467 V CB -0.713 31.068 31.823 -0.071 0.000 0.664 467 V HN 0.478 nan 8.190 nan 0.000 0.453 468 L N 0.304 121.425 121.223 -0.172 0.000 2.127 468 L HA -0.235 4.106 4.340 0.001 0.000 0.211 468 L C 2.197 178.968 176.870 -0.166 0.000 1.089 468 L CA 2.055 56.778 54.840 -0.195 0.000 0.757 468 L CB -0.334 41.651 42.059 -0.122 0.000 0.899 468 L HN 0.438 nan 8.230 nan 0.000 0.434 469 D N -0.706 119.624 120.400 -0.116 0.000 2.348 469 D HA -0.153 4.487 4.640 0.001 0.000 0.216 469 D C 1.926 178.184 176.300 -0.069 0.000 0.970 469 D CA 0.765 54.718 54.000 -0.078 0.000 0.889 469 D CB 0.298 41.064 40.800 -0.057 0.000 0.912 469 D HN 0.049 nan 8.370 nan 0.000 0.524 470 K N -0.301 120.040 120.400 -0.099 0.000 2.314 470 K HA 0.124 4.444 4.320 0.001 0.000 0.198 470 K C 0.585 177.104 176.600 -0.135 0.000 1.045 470 K CA 0.128 56.379 56.287 -0.060 0.000 0.988 470 K CB 0.267 32.749 32.500 -0.030 0.000 0.783 470 K HN 0.287 nan 8.250 nan 0.000 0.484 471 L N 2.698 123.713 121.223 -0.347 0.000 2.480 471 L HA 0.189 4.530 4.340 0.001 0.000 0.243 471 L C 0.010 176.737 176.870 -0.238 0.000 1.315 471 L CA -0.046 54.334 54.840 -0.766 0.000 1.231 471 L CB -0.354 41.154 42.059 -0.918 0.000 1.444 471 L HN -0.117 nan 8.230 nan 0.000 0.409 472 R N 0.754 121.308 120.500 0.090 0.000 2.807 472 R HA 0.374 4.714 4.340 0.001 0.000 0.276 472 R C -1.802 174.692 176.300 0.322 0.000 0.979 472 R CA -1.827 54.383 56.100 0.184 0.000 0.928 472 R CB 1.564 31.898 30.300 0.056 0.000 1.191 472 R HN -0.135 nan 8.270 nan 0.000 0.471 473 P HA -0.273 nan 4.420 nan 0.000 0.216 473 P C 0.819 178.237 177.300 0.196 0.000 1.154 473 P CA 1.380 64.470 63.100 -0.015 0.000 0.865 473 P CB 0.208 31.787 31.700 -0.202 0.000 0.789 474 E N -0.409 119.864 120.200 0.123 0.000 2.472 474 E HA -0.150 4.201 4.350 0.001 0.000 0.200 474 E C 0.487 177.176 176.600 0.149 0.000 1.046 474 E CA 1.094 57.564 56.400 0.115 0.000 0.871 474 E CB -1.200 28.541 29.700 0.068 0.000 0.806 474 E HN 0.442 nan 8.360 nan 0.000 0.533 475 N N 0.326 119.164 118.700 0.231 0.000 2.200 475 N HA 0.122 4.862 4.740 0.001 0.000 0.224 475 N C -0.492 175.180 175.510 0.270 0.000 1.179 475 N CA -0.256 52.946 53.050 0.253 0.000 0.877 475 N CB 1.677 40.339 38.487 0.292 0.000 1.072 475 N HN -0.088 nan 8.380 nan 0.000 0.519 476 V N 1.354 121.389 119.914 0.202 0.000 2.743 476 V HA 0.407 4.528 4.120 0.001 0.000 0.301 476 V C -0.572 175.482 176.094 -0.066 0.000 1.057 476 V CA -0.353 61.889 62.300 -0.097 0.000 1.006 476 V CB 1.157 32.966 31.823 -0.024 0.000 1.024 476 V HN 0.145 nan 8.190 nan 0.000 0.473 477 R N 3.749 124.145 120.500 -0.174 0.000 2.575 477 R HA 0.711 5.051 4.340 0.001 0.000 0.293 477 R C -1.595 174.684 176.300 -0.036 0.000 0.983 477 R CA -0.619 55.448 56.100 -0.054 0.000 0.887 477 R CB 2.179 32.413 30.300 -0.110 0.000 1.184 477 R HN 0.531 nan 8.270 nan 0.000 0.445 478 V N 1.459 121.419 119.914 0.077 0.000 2.588 478 V HA 0.871 4.992 4.120 0.001 0.000 0.304 478 V C -1.277 174.939 176.094 0.203 0.000 1.042 478 V CA -0.410 61.947 62.300 0.095 0.000 0.877 478 V CB 1.723 33.604 31.823 0.098 0.000 0.996 478 V HN 0.933 nan 8.190 nan 0.000 0.425 479 A N 7.286 130.229 122.820 0.206 0.000 2.371 479 A HA 0.904 5.224 4.320 0.001 0.000 0.311 479 A C -1.046 176.689 177.584 0.251 0.000 1.068 479 A CA -0.641 51.547 52.037 0.252 0.000 0.744 479 A CB 1.329 20.445 19.000 0.192 0.000 1.239 479 A HN 0.869 nan 8.150 nan 0.000 0.435 480 I N 2.404 123.119 120.570 0.242 0.000 2.436 480 I HA 0.408 4.578 4.170 0.001 0.000 0.289 480 I C -0.830 175.519 176.117 0.386 0.000 1.010 480 I CA -0.944 60.531 61.300 0.292 0.000 1.098 480 I CB 2.058 40.272 38.000 0.356 0.000 1.266 480 I HN 0.298 nan 8.210 nan 0.000 0.434 481 V N 4.890 124.999 119.914 0.325 0.000 2.370 481 V HA 0.635 4.756 4.120 0.001 0.000 0.283 481 V C -0.097 176.120 176.094 0.206 0.000 1.023 481 V CA -0.210 62.271 62.300 0.301 0.000 0.857 481 V CB 1.441 33.431 31.823 0.278 0.000 0.985 481 V HN 0.816 nan 8.190 nan 0.000 0.443 482 S N 3.647 119.461 115.700 0.189 0.000 2.556 482 S HA 0.330 4.800 4.470 0.001 0.000 0.280 482 S C 0.357 174.911 174.600 -0.076 0.000 1.141 482 S CA -0.737 57.430 58.200 -0.054 0.000 0.883 482 S CB 1.704 64.704 63.200 -0.335 0.000 1.103 482 S HN 0.600 nan 8.310 nan 0.000 0.453 483 K N 1.859 122.218 120.400 -0.069 0.000 2.280 483 K HA -0.046 4.274 4.320 0.001 0.000 0.202 483 K C 2.037 178.582 176.600 -0.092 0.000 1.047 483 K CA 1.479 57.745 56.287 -0.035 0.000 0.942 483 K CB -0.620 31.864 32.500 -0.026 0.000 0.739 483 K HN 0.786 nan 8.250 nan 0.000 0.457 484 S N -0.109 115.441 115.700 -0.250 0.000 2.528 484 S HA -0.071 4.400 4.470 0.001 0.000 0.244 484 S C 1.516 175.958 174.600 -0.264 0.000 0.982 484 S CA 0.642 58.659 58.200 -0.304 0.000 0.953 484 S CB -0.589 62.341 63.200 -0.451 0.000 0.754 484 S HN 0.280 nan 8.310 nan 0.000 0.529 485 F N 0.956 120.920 119.950 0.024 0.000 2.695 485 F HA 0.376 4.903 4.527 0.000 0.000 0.303 485 F C 0.979 176.792 175.800 0.022 0.000 1.091 485 F CA -0.760 57.255 58.000 0.026 0.000 1.300 485 F CB 0.155 39.181 39.000 0.044 0.000 1.071 485 F HN 0.176 nan 8.300 nan 0.000 0.578 486 E N 0.922 121.211 120.200 0.148 0.000 2.493 486 E HA 0.223 4.573 4.350 0.001 0.000 0.255 486 E C 1.102 177.748 176.600 0.077 0.000 0.999 486 E CA 0.974 57.431 56.400 0.095 0.000 0.934 486 E CB 0.244 29.974 29.700 0.050 0.000 0.940 486 E HN 0.442 nan 8.360 nan 0.000 0.473 487 G N 4.422 113.261 108.800 0.065 0.000 2.179 487 G HA2 -0.333 3.627 3.960 0.001 0.000 0.260 487 G HA3 -0.333 3.627 3.960 0.001 0.000 0.260 487 G C 0.675 175.601 174.900 0.044 0.000 0.977 487 G CA 0.583 45.709 45.100 0.042 0.000 0.641 487 G HN 0.524 nan 8.290 nan 0.000 0.533 488 K N 0.729 121.173 120.400 0.074 0.000 2.438 488 K HA 0.333 4.653 4.320 0.001 0.000 0.205 488 K C 0.905 177.516 176.600 0.018 0.000 1.033 488 K CA 0.734 57.059 56.287 0.062 0.000 1.089 488 K CB 0.880 33.456 32.500 0.128 0.000 0.857 488 K HN 0.570 nan 8.250 nan 0.000 0.522 489 T N -1.500 113.057 114.554 0.005 0.000 2.929 489 T HA 0.332 4.682 4.350 0.001 0.000 0.284 489 T C 0.211 174.860 174.700 -0.086 0.000 1.014 489 T CA -0.747 61.321 62.100 -0.054 0.000 1.051 489 T CB 1.640 70.493 68.868 -0.025 0.000 1.028 489 T HN 0.100 nan 8.240 nan 0.000 0.485 490 D N -0.251 120.057 120.400 -0.153 0.000 2.527 490 D HA 0.172 4.813 4.640 0.001 0.000 0.224 490 D C 0.362 176.536 176.300 -0.210 0.000 1.217 490 D CA -0.457 53.454 54.000 -0.148 0.000 0.819 490 D CB 0.295 41.020 40.800 -0.125 0.000 1.061 490 D HN 0.490 nan 8.370 nan 0.000 0.515 491 R N -0.354 119.941 120.500 -0.343 0.000 2.854 491 R HA 0.737 5.077 4.340 0.001 0.000 0.271 491 R C -0.865 175.271 176.300 -0.273 0.000 0.994 491 R CA -0.718 55.119 56.100 -0.438 0.000 0.945 491 R CB 2.072 31.805 30.300 -0.945 0.000 1.194 491 R HN 0.088 nan 8.270 nan 0.000 0.476 492 T N -1.846 112.661 114.554 -0.077 0.000 2.937 492 T HA 0.222 4.573 4.350 0.001 0.000 0.297 492 T C -0.542 174.251 174.700 0.155 0.000 0.991 492 T CA -0.997 61.147 62.100 0.075 0.000 0.990 492 T CB 1.876 70.745 68.868 0.001 0.000 0.991 492 T HN 0.367 nan 8.240 nan 0.000 0.440 493 E N 2.242 122.583 120.200 0.234 0.000 2.324 493 E HA 0.073 4.423 4.350 0.001 0.000 0.271 493 E C 0.562 177.155 176.600 -0.011 0.000 1.028 493 E CA 0.031 56.509 56.400 0.129 0.000 0.890 493 E CB 0.946 30.693 29.700 0.078 0.000 1.004 493 E HN 0.733 nan 8.360 nan 0.000 0.431 494 E N 3.567 123.673 120.200 -0.157 0.000 2.048 494 E HA -0.224 4.127 4.350 0.001 0.000 0.202 494 E C 1.598 177.864 176.600 -0.556 0.000 1.021 494 E CA 2.175 58.301 56.400 -0.458 0.000 0.825 494 E CB -0.431 28.808 29.700 -0.768 0.000 0.756 494 E HN 0.674 nan 8.360 nan 0.000 0.454 495 W N -1.458 119.756 121.300 -0.143 0.000 2.518 495 W HA 0.037 4.697 4.660 0.001 0.000 0.273 495 W C 1.413 177.762 176.519 -0.283 0.000 1.247 495 W CA 0.301 57.433 57.345 -0.355 0.000 1.288 495 W CB -0.055 28.969 29.460 -0.727 0.000 1.107 495 W HN 0.086 nan 8.180 nan 0.000 0.586 496 Y N -1.218 119.132 120.300 0.083 0.000 2.444 496 Y HA 0.341 4.891 4.550 0.000 0.000 0.252 496 Y C 1.991 177.900 175.900 0.015 0.000 1.091 496 Y CA 0.411 58.556 58.100 0.074 0.000 1.276 496 Y CB 0.394 38.916 38.460 0.103 0.000 1.170 496 Y HN -0.033 nan 8.280 nan 0.000 0.517 497 G N 0.467 109.345 108.800 0.129 0.000 2.141 497 G HA2 -0.274 3.686 3.960 0.001 0.000 0.242 497 G HA3 -0.274 3.686 3.960 0.001 0.000 0.242 497 G C 0.174 175.133 174.900 0.099 0.000 0.982 497 G CA 0.227 45.365 45.100 0.064 0.000 0.662 497 G HN 0.202 nan 8.290 nan 0.000 0.527 498 T N 1.054 115.690 114.554 0.137 0.000 2.866 498 T HA 0.327 4.678 4.350 0.001 0.000 0.293 498 T C 0.470 175.292 174.700 0.204 0.000 1.005 498 T CA 0.695 62.871 62.100 0.127 0.000 1.162 498 T CB 1.075 69.973 68.868 0.050 0.000 0.968 498 T HN 0.371 nan 8.240 nan 0.000 0.530 499 Q N 2.530 122.436 119.800 0.177 0.000 2.274 499 Q HA 0.522 4.862 4.340 0.001 0.000 0.256 499 Q C -0.738 175.427 176.000 0.274 0.000 0.927 499 Q CA -0.294 55.616 55.803 0.177 0.000 0.939 499 Q CB 0.419 29.218 28.738 0.103 0.000 1.201 499 Q HN 0.733 nan 8.270 nan 0.000 0.426 500 Y N -0.363 119.944 120.300 0.012 0.000 2.725 500 Y HA 0.694 5.244 4.550 0.001 0.000 0.333 500 Y C -1.713 174.175 175.900 -0.021 0.000 1.242 500 Y CA -1.419 56.680 58.100 -0.001 0.000 1.059 500 Y CB 1.281 39.752 38.460 0.019 0.000 1.306 500 Y HN 0.409 nan 8.280 nan 0.000 0.454 501 K N 1.657 122.012 120.400 -0.074 0.000 2.468 501 K HA 0.406 4.726 4.320 0.001 0.000 0.252 501 K C -1.850 174.726 176.600 -0.040 0.000 0.932 501 K CA -0.715 55.457 56.287 -0.192 0.000 0.794 501 K CB 2.493 34.882 32.500 -0.185 0.000 1.241 501 K HN 0.938 nan 8.250 nan 0.000 0.428 502 Q N 3.268 123.018 119.800 -0.084 0.000 2.342 502 Q HA 0.310 4.651 4.340 0.001 0.000 0.267 502 Q C -1.639 174.254 176.000 -0.179 0.000 1.038 502 Q CA -0.495 55.243 55.803 -0.109 0.000 0.832 502 Q CB 1.729 30.497 28.738 0.050 0.000 1.323 502 Q HN 0.770 nan 8.270 nan 0.000 0.448 503 E N 1.399 121.442 120.200 -0.260 0.000 2.375 503 E HA 0.655 5.005 4.350 0.001 0.000 0.280 503 E C -1.674 174.808 176.600 -0.197 0.000 0.972 503 E CA -1.118 55.170 56.400 -0.186 0.000 0.782 503 E CB 1.144 30.756 29.700 -0.146 0.000 1.229 503 E HN 0.595 nan 8.360 nan 0.000 0.439 504 A N 3.014 125.753 122.820 -0.135 0.000 2.401 504 A HA 0.411 4.731 4.320 0.001 0.000 0.259 504 A C 0.185 177.711 177.584 -0.097 0.000 1.103 504 A CA -0.545 51.426 52.037 -0.111 0.000 0.789 504 A CB -0.088 18.864 19.000 -0.080 0.000 1.035 504 A HN 0.575 nan 8.150 nan 0.000 0.491 505 I N 4.614 125.137 120.570 -0.078 0.000 2.533 505 I HA 0.145 4.315 4.170 0.001 0.000 0.284 505 I C -1.545 174.511 176.117 -0.102 0.000 1.109 505 I CA -1.356 59.898 61.300 -0.076 0.000 1.412 505 I CB 0.688 38.679 38.000 -0.015 0.000 1.396 505 I HN 0.529 nan 8.210 nan 0.000 0.543 506 P HA 0.019 nan 4.420 nan 0.000 0.266 506 P C -0.281 176.931 177.300 -0.147 0.000 1.195 506 P CA -0.019 63.007 63.100 -0.123 0.000 0.768 506 P CB 0.861 32.487 31.700 -0.123 0.000 0.838 507 D N 1.164 121.499 120.400 -0.108 0.000 2.190 507 D HA -0.212 4.428 4.640 0.001 0.000 0.200 507 D C 1.710 177.930 176.300 -0.134 0.000 0.992 507 D CA 1.459 55.397 54.000 -0.102 0.000 0.854 507 D CB -0.169 40.590 40.800 -0.069 0.000 0.936 507 D HN 0.532 nan 8.370 nan 0.000 0.462 508 E N 0.248 120.365 120.200 -0.139 0.000 2.118 508 E HA -0.149 4.201 4.350 0.001 0.000 0.195 508 E C 1.790 178.249 176.600 -0.236 0.000 0.992 508 E CA 0.902 57.214 56.400 -0.147 0.000 0.804 508 E CB -0.176 29.451 29.700 -0.122 0.000 0.741 508 E HN 0.143 nan 8.360 nan 0.000 0.458 509 V N 0.439 120.147 119.914 -0.343 0.000 2.379 509 V HA -0.175 3.945 4.120 0.001 0.000 0.245 509 V C 2.393 177.988 176.094 -0.831 0.000 1.044 509 V CA 1.678 63.587 62.300 -0.652 0.000 1.036 509 V CB -0.410 30.963 31.823 -0.751 0.000 0.664 509 V HN 0.288 nan 8.190 nan 0.000 0.453 510 I N 0.008 120.292 120.570 -0.477 0.000 2.179 510 I HA -0.262 3.908 4.170 0.001 0.000 0.242 510 I C 2.566 178.618 176.117 -0.108 0.000 1.088 510 I CA 1.803 62.987 61.300 -0.194 0.000 1.357 510 I CB -0.422 37.543 38.000 -0.059 0.000 1.051 510 I HN 0.241 nan 8.210 nan 0.000 0.409 511 K N 1.338 121.663 120.400 -0.124 0.000 2.063 511 K HA -0.270 4.050 4.320 0.001 0.000 0.208 511 K C 2.195 178.764 176.600 -0.053 0.000 1.048 511 K CA 1.706 57.950 56.287 -0.071 0.000 0.928 511 K CB 0.004 32.463 32.500 -0.068 0.000 0.713 511 K HN 0.002 nan 8.250 nan 0.000 0.442 512 K N -0.220 120.116 120.400 -0.107 0.000 2.057 512 K HA -0.147 4.174 4.320 0.001 0.000 0.207 512 K C 1.805 178.469 176.600 0.106 0.000 1.049 512 K CA 1.664 57.926 56.287 -0.041 0.000 0.931 512 K CB -0.128 32.301 32.500 -0.119 0.000 0.714 512 K HN 0.247 nan 8.250 nan 0.000 0.440 513 W N 1.468 122.755 121.300 -0.022 0.000 2.388 513 W HA -0.076 4.585 4.660 0.001 0.000 0.294 513 W C 1.856 178.249 176.519 -0.209 0.000 1.212 513 W CA 0.725 58.023 57.345 -0.078 0.000 1.271 513 W CB -0.797 28.552 29.460 -0.186 0.000 1.126 513 W HN 0.313 nan 8.180 nan 0.000 0.535 514 Q N -0.333 119.484 119.800 0.028 0.000 2.224 514 Q HA -0.109 4.232 4.340 0.001 0.000 0.203 514 Q C 1.199 177.206 176.000 0.012 0.000 0.970 514 Q CA 0.882 56.660 55.803 -0.041 0.000 0.865 514 Q CB -0.346 28.373 28.738 -0.033 0.000 0.922 514 Q HN 0.210 nan 8.270 nan 0.000 0.445 515 N N 0.463 119.192 118.700 0.048 0.000 2.313 515 N HA 0.139 4.879 4.740 0.001 0.000 0.207 515 N C -0.629 174.934 175.510 0.090 0.000 1.141 515 N CA 0.038 53.122 53.050 0.056 0.000 0.830 515 N CB 0.444 38.957 38.487 0.045 0.000 1.008 515 N HN 0.098 nan 8.380 nan 0.000 0.481 516 A N 1.743 124.638 122.820 0.125 0.000 2.537 516 A HA 0.067 4.388 4.320 0.001 0.000 0.260 516 A C 0.429 178.087 177.584 0.124 0.000 1.082 516 A CA -0.149 51.989 52.037 0.167 0.000 0.765 516 A CB -0.015 19.131 19.000 0.242 0.000 1.019 516 A HN 0.288 nan 8.150 nan 0.000 0.507 517 D N 2.116 122.582 120.400 0.110 0.000 2.529 517 D HA 0.469 5.110 4.640 0.001 0.000 0.273 517 D C -0.034 176.321 176.300 0.092 0.000 1.197 517 D CA -0.812 53.238 54.000 0.083 0.000 1.070 517 D CB 0.127 40.965 40.800 0.064 0.000 1.134 517 D HN 0.364 nan 8.370 nan 0.000 0.590 518 L N 0.234 121.500 121.223 0.072 0.000 2.380 518 L HA 0.206 4.546 4.340 0.001 0.000 0.273 518 L C 0.540 177.449 176.870 0.065 0.000 1.138 518 L CA -0.360 54.528 54.840 0.081 0.000 0.832 518 L CB 0.072 42.165 42.059 0.056 0.000 1.124 518 L HN 0.382 nan 8.230 nan 0.000 0.454 519 N N 1.610 120.364 118.700 0.090 0.000 2.446 519 N HA 0.174 4.914 4.740 0.001 0.000 0.265 519 N C 0.855 176.323 175.510 -0.071 0.000 0.975 519 N CA -0.141 52.885 53.050 -0.039 0.000 0.928 519 N CB 2.054 40.434 38.487 -0.178 0.000 1.160 519 N HN 0.719 nan 8.380 nan 0.000 0.495 520 G N 3.056 111.813 108.800 -0.072 0.000 2.499 520 G HA2 -0.242 3.719 3.960 0.001 0.000 0.221 520 G HA3 -0.242 3.719 3.960 0.001 0.000 0.221 520 G C 1.350 176.198 174.900 -0.087 0.000 1.109 520 G CA 0.660 45.730 45.100 -0.051 0.000 0.749 520 G HN 0.526 nan 8.290 nan 0.000 0.568 521 K N -0.203 120.061 120.400 -0.228 0.000 2.288 521 K HA 0.056 4.377 4.320 0.001 0.000 0.201 521 K C 0.177 176.663 176.600 -0.191 0.000 1.048 521 K CA 0.171 56.285 56.287 -0.288 0.000 0.956 521 K CB -0.094 32.111 32.500 -0.490 0.000 0.746 521 K HN 0.430 nan 8.250 nan 0.000 0.461 522 F N 1.588 121.591 119.950 0.087 0.000 2.410 522 F HA 0.247 4.774 4.527 0.001 0.000 0.349 522 F C 0.466 176.315 175.800 0.082 0.000 1.117 522 F CA -0.731 57.355 58.000 0.143 0.000 1.104 522 F CB 1.113 40.231 39.000 0.196 0.000 1.122 522 F HN -0.342 nan 8.300 nan 0.000 0.483 523 K N 3.479 124.071 120.400 0.320 0.000 2.508 523 K HA 0.461 4.782 4.320 0.001 0.000 0.260 523 K C -1.287 175.415 176.600 0.170 0.000 0.949 523 K CA -1.150 55.244 56.287 0.177 0.000 0.834 523 K CB 2.392 34.972 32.500 0.135 0.000 1.365 523 K HN 0.292 nan 8.250 nan 0.000 0.437 524 L N 2.049 123.345 121.223 0.122 0.000 2.473 524 L HA 0.237 4.577 4.340 0.001 0.000 0.268 524 L C -1.897 175.053 176.870 0.134 0.000 1.215 524 L CA -1.303 53.613 54.840 0.127 0.000 0.823 524 L CB -0.736 41.438 42.059 0.191 0.000 1.099 524 L HN 0.422 nan 8.230 nan 0.000 0.483 525 P HA 0.105 nan 4.420 nan 0.000 0.270 525 P C -0.357 177.109 177.300 0.277 0.000 1.223 525 P CA -0.196 62.902 63.100 -0.003 0.000 0.785 525 P CB 0.385 31.866 31.700 -0.365 0.000 0.923 526 T N -1.288 113.398 114.554 0.219 0.000 2.847 526 T HA 0.373 4.723 4.350 0.001 0.000 0.279 526 T C 0.147 175.010 174.700 0.270 0.000 0.984 526 T CA -0.972 61.235 62.100 0.178 0.000 0.988 526 T CB 0.521 69.450 68.868 0.101 0.000 1.040 526 T HN 0.089 nan 8.240 nan 0.000 0.528 527 K N 1.716 122.165 120.400 0.081 0.000 2.489 527 K HA 0.017 4.337 4.320 0.001 0.000 0.278 527 K C 0.224 176.943 176.600 0.198 0.000 1.000 527 K CA 0.046 56.426 56.287 0.155 0.000 1.012 527 K CB -0.042 32.434 32.500 -0.041 0.000 0.903 527 K HN 0.636 nan 8.250 nan 0.000 0.485 528 N N 3.784 122.642 118.700 0.263 0.000 2.399 528 N HA -0.033 4.707 4.740 0.001 0.000 0.259 528 N C -0.353 175.234 175.510 0.128 0.000 1.160 528 N CA 0.347 53.527 53.050 0.217 0.000 0.946 528 N CB 0.473 39.105 38.487 0.240 0.000 1.156 528 N HN 0.598 nan 8.380 nan 0.000 0.489 529 E N 2.534 122.764 120.200 0.049 0.000 2.489 529 E HA -0.025 4.325 4.350 0.001 0.000 0.193 529 E C 0.278 176.776 176.600 -0.171 0.000 1.057 529 E CA 0.181 56.534 56.400 -0.077 0.000 0.866 529 E CB 0.123 29.730 29.700 -0.154 0.000 0.916 529 E HN 0.623 nan 8.360 nan 0.000 0.500 530 F N 0.613 120.556 119.950 -0.010 0.000 2.765 530 F HA 0.172 4.699 4.527 0.000 0.000 0.302 530 F C 0.979 176.783 175.800 0.007 0.000 1.111 530 F CA -0.251 57.736 58.000 -0.022 0.000 1.359 530 F CB 0.445 39.413 39.000 -0.054 0.000 1.097 530 F HN -0.120 nan 8.300 nan 0.000 0.577 531 I N 4.081 124.747 120.570 0.161 0.000 2.821 531 I HA -0.056 4.115 4.170 0.001 0.000 0.294 531 I C -1.837 174.305 176.117 0.041 0.000 1.210 531 I CA -1.365 60.003 61.300 0.114 0.000 1.430 531 I CB 0.109 38.165 38.000 0.093 0.000 1.356 531 I HN -0.163 nan 8.210 nan 0.000 0.563 532 P HA 0.107 nan 4.420 nan 0.000 0.279 532 P C 0.093 177.182 177.300 -0.351 0.000 1.239 532 P CA -0.180 62.805 63.100 -0.192 0.000 0.789 532 P CB 1.228 32.758 31.700 -0.283 0.000 0.933 533 T N -2.293 111.937 114.554 -0.540 0.000 3.009 533 T HA 0.111 4.462 4.350 0.001 0.000 0.267 533 T C 0.420 174.685 174.700 -0.725 0.000 0.942 533 T CA -0.075 61.716 62.100 -0.514 0.000 0.883 533 T CB -0.343 68.404 68.868 -0.201 0.000 1.192 533 T HN 0.320 nan 8.240 nan 0.000 0.524 534 N N 0.958 119.180 118.700 -0.796 0.000 2.546 534 N HA 0.405 5.145 4.740 0.001 0.000 0.238 534 N C -1.020 174.100 175.510 -0.649 0.000 0.984 534 N CA -1.358 51.370 53.050 -0.537 0.000 0.935 534 N CB 0.318 38.645 38.487 -0.267 0.000 1.122 534 N HN 0.283 nan 8.380 nan 0.000 0.510 535 F N 0.454 120.355 119.950 -0.082 0.000 2.708 535 F HA 0.270 4.797 4.527 0.000 0.000 0.300 535 F C 1.070 176.818 175.800 -0.086 0.000 1.118 535 F CA -0.644 57.254 58.000 -0.169 0.000 1.307 535 F CB 0.161 39.018 39.000 -0.240 0.000 0.986 535 F HN 0.382 nan 8.300 nan 0.000 0.522 536 E N 2.206 122.442 120.200 0.060 0.000 2.376 536 E HA 0.054 4.405 4.350 0.001 0.000 0.266 536 E C -0.184 176.456 176.600 0.067 0.000 1.009 536 E CA -0.229 56.210 56.400 0.066 0.000 0.902 536 E CB 0.665 30.384 29.700 0.033 0.000 0.972 536 E HN 0.069 nan 8.360 nan 0.000 0.439 537 I N 6.475 127.097 120.570 0.087 0.000 2.287 537 I HA 0.071 4.242 4.170 0.001 0.000 0.290 537 I C 0.189 176.365 176.117 0.098 0.000 1.069 537 I CA -0.596 60.770 61.300 0.111 0.000 1.237 537 I CB 0.131 38.221 38.000 0.150 0.000 1.418 537 I HN 0.522 nan 8.210 nan 0.000 0.481 538 L N 8.719 129.998 121.223 0.094 0.000 2.559 538 L HA 0.058 4.398 4.340 0.001 0.000 0.282 538 L C -1.581 175.348 176.870 0.098 0.000 1.232 538 L CA -0.732 54.159 54.840 0.085 0.000 0.885 538 L CB -0.600 41.512 42.059 0.088 0.000 1.131 538 L HN 0.325 nan 8.230 nan 0.000 0.498 539 P HA 0.028 nan 4.420 nan 0.000 0.271 539 P C -0.203 177.149 177.300 0.087 0.000 1.216 539 P CA -0.814 62.324 63.100 0.064 0.000 0.771 539 P CB 0.857 32.579 31.700 0.037 0.000 0.864 540 L N 3.316 124.600 121.223 0.101 0.000 2.578 540 L HA -0.045 4.296 4.340 0.001 0.000 0.279 540 L C 0.938 177.855 176.870 0.079 0.000 1.227 540 L CA 0.813 55.718 54.840 0.110 0.000 0.900 540 L CB -0.698 41.432 42.059 0.117 0.000 1.144 540 L HN 0.396 nan 8.230 nan 0.000 0.496 541 E N 4.091 124.344 120.200 0.089 0.000 2.373 541 E HA 0.015 4.365 4.350 0.001 0.000 0.263 541 E C 0.791 177.425 176.600 0.056 0.000 1.073 541 E CA -0.146 56.300 56.400 0.077 0.000 0.894 541 E CB 0.705 30.468 29.700 0.105 0.000 1.008 541 E HN 0.558 nan 8.360 nan 0.000 0.420 542 K N 1.264 121.690 120.400 0.043 0.000 2.103 542 K HA -0.202 4.118 4.320 0.001 0.000 0.207 542 K C 0.504 177.123 176.600 0.031 0.000 1.048 542 K CA 1.526 57.831 56.287 0.031 0.000 0.930 542 K CB -0.070 32.445 32.500 0.024 0.000 0.716 542 K HN 0.282 nan 8.250 nan 0.000 0.444 543 E N 1.214 121.440 120.200 0.043 0.000 2.349 543 E HA 0.297 4.647 4.350 0.001 0.000 0.201 543 E C -0.341 176.291 176.600 0.052 0.000 1.087 543 E CA -0.160 56.266 56.400 0.043 0.000 1.128 543 E CB 0.485 30.214 29.700 0.049 0.000 1.188 543 E HN 0.417 nan 8.360 nan 0.000 0.445 544 A N 1.168 124.012 122.820 0.040 0.000 2.407 544 A HA 0.485 4.806 4.320 0.001 0.000 0.248 544 A C 0.570 178.135 177.584 -0.032 0.000 1.082 544 A CA -0.132 51.914 52.037 0.016 0.000 0.785 544 A CB 0.165 19.173 19.000 0.013 0.000 1.020 544 A HN 0.304 nan 8.150 nan 0.000 0.489 545 T N -0.153 114.350 114.554 -0.086 0.000 2.885 545 T HA 0.602 4.952 4.350 0.001 0.000 0.285 545 T C -2.351 172.227 174.700 -0.204 0.000 1.019 545 T CA -1.663 60.367 62.100 -0.117 0.000 1.010 545 T CB 1.669 70.484 68.868 -0.089 0.000 1.022 545 T HN 0.271 nan 8.240 nan 0.000 0.466 546 P HA 0.068 nan 4.420 nan 0.000 0.219 546 P C -0.545 176.427 177.300 -0.548 0.000 1.150 546 P CA 0.974 63.817 63.100 -0.428 0.000 0.814 546 P CB -0.008 31.353 31.700 -0.566 0.000 0.787 547 Y N -2.555 117.562 120.300 -0.305 0.000 2.630 547 Y HA 0.463 5.013 4.550 0.000 0.000 0.337 547 Y C -2.232 173.226 175.900 -0.737 0.000 1.051 547 Y CA -3.499 54.216 58.100 -0.643 0.000 1.121 547 Y CB -0.318 37.851 38.460 -0.486 0.000 1.299 547 Y HN -0.329 nan 8.280 nan 0.000 0.498 548 P HA 0.232 nan 4.420 nan 0.000 0.266 548 P C -1.220 176.011 177.300 -0.115 0.000 1.195 548 P CA 0.185 62.906 63.100 -0.631 0.000 0.768 548 P CB 0.522 31.705 31.700 -0.861 0.000 0.838 549 A N 3.204 126.082 122.820 0.098 0.000 2.355 549 A HA 0.541 4.861 4.320 0.001 0.000 0.324 549 A C -0.957 176.719 177.584 0.153 0.000 1.117 549 A CA -0.681 51.479 52.037 0.204 0.000 0.785 549 A CB 0.679 19.743 19.000 0.106 0.000 1.254 549 A HN 0.526 nan 8.150 nan 0.000 0.453 550 L N 3.764 124.918 121.223 -0.115 0.000 2.385 550 L HA 0.324 4.664 4.340 0.001 0.000 0.285 550 L C 0.803 177.524 176.870 -0.250 0.000 1.125 550 L CA 0.114 54.611 54.840 -0.572 0.000 0.890 550 L CB -0.268 41.265 42.059 -0.876 0.000 1.251 550 L HN 0.661 nan 8.230 nan 0.000 0.445 551 I N 0.611 121.092 120.570 -0.148 0.000 3.793 551 I HA 0.282 4.453 4.170 0.001 0.000 0.315 551 I C 0.443 176.496 176.117 -0.106 0.000 1.275 551 I CA -0.068 61.186 61.300 -0.075 0.000 1.214 551 I CB -0.179 37.814 38.000 -0.012 0.000 1.018 551 I HN 0.512 nan 8.210 nan 0.000 0.439 552 K N 1.398 121.703 120.400 -0.157 0.000 2.550 552 K HA 0.277 4.597 4.320 0.001 0.000 0.252 552 K C -1.833 174.674 176.600 -0.155 0.000 0.943 552 K CA -0.465 55.749 56.287 -0.121 0.000 0.806 552 K CB 1.901 34.355 32.500 -0.078 0.000 1.289 552 K HN -0.015 nan 8.250 nan 0.000 0.435 553 D N 3.191 123.525 120.400 -0.110 0.000 2.517 553 D HA 0.153 4.793 4.640 0.001 0.000 0.263 553 D C -0.903 175.377 176.300 -0.033 0.000 1.233 553 D CA -0.042 53.901 54.000 -0.095 0.000 0.849 553 D CB 0.881 41.599 40.800 -0.137 0.000 1.261 553 D HN 0.582 nan 8.370 nan 0.000 0.516 554 T N -2.188 112.372 114.554 0.010 0.000 2.919 554 T HA 0.707 5.057 4.350 0.001 0.000 0.282 554 T C 1.443 176.192 174.700 0.081 0.000 1.020 554 T CA -0.199 61.920 62.100 0.033 0.000 0.994 554 T CB 1.579 70.469 68.868 0.036 0.000 1.180 554 T HN -0.015 nan 8.240 nan 0.000 0.566 555 A N 0.187 123.049 122.820 0.071 0.000 2.014 555 A HA 0.074 4.394 4.320 0.001 0.000 0.218 555 A C 2.153 179.861 177.584 0.206 0.000 1.163 555 A CA 1.578 53.666 52.037 0.085 0.000 0.652 555 A CB -0.931 18.097 19.000 0.046 0.000 0.808 555 A HN 0.819 nan 8.150 nan 0.000 0.449 556 M N 0.027 119.734 119.600 0.178 0.000 2.236 556 M HA 0.037 4.517 4.480 0.001 0.000 0.266 556 M C 0.556 176.974 176.300 0.196 0.000 1.070 556 M CA 1.553 56.971 55.300 0.198 0.000 1.137 556 M CB -0.116 32.559 32.600 0.124 0.000 1.378 556 M HN 0.472 nan 8.290 nan 0.000 0.426 557 S N -1.141 114.643 115.700 0.141 0.000 2.547 557 S HA 0.507 4.978 4.470 0.001 0.000 0.270 557 S C -1.017 173.612 174.600 0.047 0.000 1.150 557 S CA -1.192 57.015 58.200 0.011 0.000 0.850 557 S CB 1.548 64.758 63.200 0.017 0.000 1.118 557 S HN 0.244 nan 8.310 nan 0.000 0.461 558 K N 1.180 121.582 120.400 0.004 0.000 2.450 558 K HA 0.574 4.894 4.320 0.001 0.000 0.257 558 K C -1.842 174.717 176.600 -0.069 0.000 0.953 558 K CA -0.817 55.458 56.287 -0.020 0.000 0.844 558 K CB 1.247 33.810 32.500 0.105 0.000 1.103 558 K HN 0.630 nan 8.250 nan 0.000 0.429 559 L N 5.375 126.493 121.223 -0.175 0.000 2.287 559 L HA 0.506 4.847 4.340 0.001 0.000 0.287 559 L C -1.740 175.011 176.870 -0.198 0.000 1.022 559 L CA -0.197 54.582 54.840 -0.101 0.000 0.814 559 L CB 0.527 42.560 42.059 -0.043 0.000 1.217 559 L HN 0.535 nan 8.230 nan 0.000 0.420 560 W N 5.717 127.095 121.300 0.131 0.000 2.433 560 W HA 0.557 5.217 4.660 0.000 0.000 0.315 560 W C -0.707 175.909 176.519 0.161 0.000 1.087 560 W CA -0.257 57.170 57.345 0.137 0.000 1.205 560 W CB 1.450 31.016 29.460 0.177 0.000 1.288 560 W HN 0.422 nan 8.180 nan 0.000 0.504 561 F N 3.633 123.678 119.950 0.158 0.000 2.588 561 F HA 0.661 5.188 4.527 0.000 0.000 0.310 561 F C -1.176 174.626 175.800 0.003 0.000 1.082 561 F CA -1.657 56.384 58.000 0.068 0.000 0.929 561 F CB 1.729 40.750 39.000 0.035 0.000 1.254 561 F HN 0.282 nan 8.300 nan 0.000 0.455 562 K N 4.842 124.554 120.400 -1.147 0.000 2.589 562 K HA 0.207 4.528 4.320 0.001 0.000 0.253 562 K C -1.900 174.217 176.600 -0.805 0.000 0.974 562 K CA -0.617 55.054 56.287 -1.027 0.000 0.835 562 K CB 1.742 33.834 32.500 -0.681 0.000 1.272 562 K HN 0.885 nan 8.250 nan 0.000 0.444 563 Q N 3.528 122.895 119.800 -0.722 0.000 2.295 563 Q HA 0.071 4.411 4.340 0.001 0.000 0.259 563 Q C -0.672 175.305 176.000 -0.037 0.000 0.976 563 Q CA -0.386 55.308 55.803 -0.182 0.000 0.923 563 Q CB 0.960 29.707 28.738 0.016 0.000 1.185 563 Q HN 0.610 nan 8.270 nan 0.000 0.410 564 D N 2.812 123.227 120.400 0.025 0.000 2.533 564 D HA -0.116 4.525 4.640 0.001 0.000 0.236 564 D C -0.161 176.009 176.300 -0.217 0.000 1.137 564 D CA 0.537 54.501 54.000 -0.059 0.000 0.867 564 D CB 0.777 41.484 40.800 -0.155 0.000 1.170 564 D HN 0.683 nan 8.370 nan 0.000 0.474 565 D N 1.647 121.841 120.400 -0.343 0.000 2.514 565 D HA -0.017 4.624 4.640 0.001 0.000 0.225 565 D C 0.860 176.789 176.300 -0.618 0.000 1.159 565 D CA 0.068 53.874 54.000 -0.322 0.000 0.823 565 D CB -0.073 40.674 40.800 -0.089 0.000 1.097 565 D HN 0.560 nan 8.370 nan 0.000 0.519 566 K N 0.098 119.948 120.400 -0.916 0.000 2.273 566 K HA 0.200 4.521 4.320 0.001 0.000 0.206 566 K C 1.631 177.688 176.600 -0.904 0.000 1.072 566 K CA 0.052 55.849 56.287 -0.817 0.000 0.953 566 K CB -0.515 31.454 32.500 -0.886 0.000 1.043 566 K HN 0.018 nan 8.250 nan 0.000 0.477 567 F N 1.164 120.776 119.950 -0.564 0.000 2.187 567 F HA 0.193 4.721 4.527 0.001 0.000 0.295 567 F C 0.088 175.782 175.800 -0.176 0.000 1.091 567 F CA 0.214 58.043 58.000 -0.285 0.000 1.308 567 F CB -0.486 38.385 39.000 -0.216 0.000 1.030 567 F HN -0.163 nan 8.300 nan 0.000 0.487 568 F N 1.085 121.124 119.950 0.148 0.000 2.891 568 F HA -0.214 4.313 4.527 0.000 0.000 0.272 568 F C -0.366 175.493 175.800 0.099 0.000 1.004 568 F CA -0.365 57.690 58.000 0.092 0.000 0.938 568 F CB -1.998 37.039 39.000 0.062 0.000 0.939 568 F HN -0.123 nan 8.300 nan 0.000 0.833 569 L N 1.973 123.294 121.223 0.164 0.000 2.323 569 L HA 0.517 4.857 4.340 0.001 0.000 0.265 569 L C -1.797 175.077 176.870 0.006 0.000 1.012 569 L CA -2.089 52.815 54.840 0.106 0.000 0.820 569 L CB 2.050 44.163 42.059 0.090 0.000 1.334 569 L HN -0.267 nan 8.230 nan 0.000 0.427 570 P HA 0.116 nan 4.420 nan 0.000 0.231 570 P C -1.079 176.259 177.300 0.065 0.000 1.756 570 P CA 0.182 63.257 63.100 -0.042 0.000 0.990 570 P CB -0.143 31.496 31.700 -0.101 0.000 1.973 571 K N 0.808 121.213 120.400 0.008 0.000 2.480 571 K HA 0.872 5.192 4.320 0.001 0.000 0.258 571 K C -0.960 175.610 176.600 -0.049 0.000 0.990 571 K CA -0.977 55.290 56.287 -0.034 0.000 0.857 571 K CB 2.765 35.194 32.500 -0.119 0.000 1.384 571 K HN 0.107 nan 8.250 nan 0.000 0.446 572 A N 0.436 123.220 122.820 -0.061 0.000 2.612 572 A HA 0.633 4.954 4.320 0.001 0.000 0.293 572 A C -1.643 175.902 177.584 -0.064 0.000 1.075 572 A CA -0.657 51.348 52.037 -0.053 0.000 0.680 572 A CB 1.267 20.276 19.000 0.015 0.000 1.279 572 A HN 0.696 nan 8.150 nan 0.000 0.411 573 C N 1.475 120.739 119.300 -0.060 0.000 2.340 573 C HA 0.653 5.113 4.460 0.001 0.000 0.323 573 C C -0.424 174.537 174.990 -0.049 0.000 1.260 573 C CA -0.426 58.552 59.018 -0.067 0.000 1.464 573 C CB -0.158 27.528 27.740 -0.091 0.000 2.156 573 C HN 0.633 nan 8.230 nan 0.000 0.476 574 L N 4.397 125.591 121.223 -0.049 0.000 2.301 574 L HA 0.422 4.762 4.340 0.001 0.000 0.278 574 L C -0.667 176.083 176.870 -0.200 0.000 1.022 574 L CA -0.127 54.672 54.840 -0.068 0.000 0.854 574 L CB 0.367 42.543 42.059 0.195 0.000 1.226 574 L HN 0.612 nan 8.230 nan 0.000 0.429 575 N N 3.135 121.528 118.700 -0.513 0.000 2.419 575 N HA 0.620 5.360 4.740 0.001 0.000 0.277 575 N C -1.169 173.923 175.510 -0.696 0.000 1.006 575 N CA -0.083 52.541 53.050 -0.710 0.000 0.923 575 N CB 1.326 38.942 38.487 -1.451 0.000 1.140 575 N HN 0.213 nan 8.380 nan 0.000 0.488 576 F N 0.174 119.997 119.950 -0.212 0.000 2.529 576 F HA 0.344 4.872 4.527 0.001 0.000 0.320 576 F C 0.355 176.136 175.800 -0.031 0.000 1.118 576 F CA -0.913 56.999 58.000 -0.147 0.000 0.915 576 F CB 1.916 40.708 39.000 -0.347 0.000 1.161 576 F HN 0.228 nan 8.300 nan 0.000 0.445 577 E N 3.003 123.286 120.200 0.138 0.000 2.155 577 E HA 0.493 4.843 4.350 0.001 0.000 0.264 577 E C -1.751 174.637 176.600 -0.353 0.000 0.886 577 E CA -0.461 55.956 56.400 0.028 0.000 0.752 577 E CB 0.619 30.325 29.700 0.009 0.000 1.133 577 E HN 0.321 nan 8.360 nan 0.000 0.414 578 F N 4.927 124.834 119.950 -0.071 0.000 2.385 578 F HA 0.427 4.955 4.527 0.001 0.000 0.360 578 F C -0.370 175.381 175.800 -0.081 0.000 1.122 578 F CA -0.671 57.327 58.000 -0.004 0.000 1.090 578 F CB 0.573 39.629 39.000 0.094 0.000 1.150 578 F HN 0.349 nan 8.300 nan 0.000 0.472 579 F N 1.926 122.101 119.950 0.375 0.000 2.394 579 F HA 0.543 5.070 4.527 0.001 0.000 0.340 579 F C 0.463 176.457 175.800 0.324 0.000 1.105 579 F CA -0.455 57.743 58.000 0.331 0.000 1.124 579 F CB 1.631 40.800 39.000 0.282 0.000 1.145 579 F HN 0.367 nan 8.300 nan 0.000 0.505 580 S N 3.538 119.525 115.700 0.479 0.000 2.584 580 S HA 0.367 4.837 4.470 0.001 0.000 0.280 580 S C -2.442 172.396 174.600 0.396 0.000 1.162 580 S CA -1.051 57.402 58.200 0.421 0.000 0.951 580 S CB 1.578 65.018 63.200 0.400 0.000 1.108 580 S HN 0.235 nan 8.310 nan 0.000 0.464 581 P HA 0.106 nan 4.420 nan 0.000 0.222 581 P C 0.494 177.827 177.300 0.054 0.000 1.147 581 P CA 0.794 63.963 63.100 0.115 0.000 0.790 581 P CB -0.055 31.578 31.700 -0.111 0.000 0.780 582 F N -1.196 118.933 119.950 0.298 0.000 2.804 582 F HA 0.202 4.729 4.527 0.000 0.000 0.303 582 F C 2.032 178.173 175.800 0.568 0.000 1.154 582 F CA 0.166 58.390 58.000 0.373 0.000 1.401 582 F CB -0.727 38.478 39.000 0.341 0.000 1.106 582 F HN -0.069 nan 8.300 nan 0.000 0.568 583 A N -1.603 121.591 122.820 0.623 0.000 2.044 583 A HA -0.012 4.308 4.320 0.001 0.000 0.213 583 A C 1.301 179.282 177.584 0.663 0.000 1.169 583 A CA 0.782 53.203 52.037 0.640 0.000 0.724 583 A CB -0.383 18.928 19.000 0.518 0.000 0.840 583 A HN 0.508 nan 8.150 nan 0.000 0.463 584 Y N -1.893 118.668 120.300 0.434 0.000 2.672 584 Y HA 0.208 4.758 4.550 0.001 0.000 0.252 584 Y C 1.532 177.756 175.900 0.540 0.000 1.132 584 Y CA 0.128 58.527 58.100 0.498 0.000 1.228 584 Y CB 0.855 39.606 38.460 0.486 0.000 1.310 584 Y HN 0.029 nan 8.280 nan 0.000 0.549 585 V N 1.166 121.286 119.914 0.343 0.000 2.317 585 V HA -0.226 3.894 4.120 0.001 0.000 0.251 585 V C 0.266 176.426 176.094 0.109 0.000 1.065 585 V CA 2.605 64.987 62.300 0.137 0.000 1.049 585 V CB -0.215 31.498 31.823 -0.184 0.000 0.651 585 V HN 0.661 nan 8.190 nan 0.000 0.450 586 D N -4.297 116.016 120.400 -0.144 0.000 2.639 586 D HA 0.294 4.935 4.640 0.001 0.000 0.271 586 D C -2.408 173.286 176.300 -1.010 0.000 1.254 586 D CA -1.465 52.084 54.000 -0.751 0.000 0.810 586 D CB 0.736 41.263 40.800 -0.456 0.000 1.351 586 D HN -0.103 nan 8.370 nan 0.000 0.427 587 P HA -0.148 nan 4.420 nan 0.000 0.216 587 P C 1.755 178.861 177.300 -0.323 0.000 1.154 587 P CA 1.128 63.732 63.100 -0.826 0.000 0.865 587 P CB 0.144 31.479 31.700 -0.608 0.000 0.789 588 L N -1.107 119.982 121.223 -0.223 0.000 2.012 588 L HA -0.204 4.136 4.340 0.001 0.000 0.210 588 L C 2.263 179.092 176.870 -0.068 0.000 1.073 588 L CA 2.018 56.811 54.840 -0.078 0.000 0.748 588 L CB -1.354 40.702 42.059 -0.004 0.000 0.891 588 L HN 0.135 nan 8.230 nan 0.000 0.431 589 H N -2.259 116.732 119.070 -0.132 0.000 2.495 589 H HA -0.137 4.419 4.556 0.001 0.000 0.287 589 H C 2.352 177.671 175.328 -0.015 0.000 1.033 589 H CA 1.151 57.150 56.048 -0.083 0.000 1.307 589 H CB -0.061 29.803 29.762 0.169 0.000 1.401 589 H HN 0.569 nan 8.280 nan 0.000 0.555 590 C N 1.439 120.825 119.300 0.143 0.000 2.466 590 C HA -0.085 4.375 4.460 0.001 0.000 0.278 590 C C 2.443 177.553 174.990 0.201 0.000 1.288 590 C CA 0.707 59.886 59.018 0.269 0.000 1.722 590 C CB -0.670 27.238 27.740 0.280 0.000 2.017 590 C HN 0.531 nan 8.230 nan 0.000 0.488 591 N N 0.878 119.652 118.700 0.123 0.000 2.120 591 N HA -0.100 4.641 4.740 0.001 0.000 0.188 591 N C 1.773 177.319 175.510 0.061 0.000 1.024 591 N CA 1.766 54.928 53.050 0.187 0.000 0.852 591 N CB -0.554 38.064 38.487 0.218 0.000 1.003 591 N HN 0.584 nan 8.380 nan 0.000 0.424 592 M N 0.347 119.839 119.600 -0.180 0.000 2.175 592 M HA -0.025 4.455 4.480 0.001 0.000 0.264 592 M C 2.231 178.375 176.300 -0.260 0.000 1.063 592 M CA 1.154 56.189 55.300 -0.443 0.000 1.119 592 M CB -0.323 31.537 32.600 -1.233 0.000 1.377 592 M HN 0.123 nan 8.290 nan 0.000 0.415 593 A N -0.180 122.589 122.820 -0.085 0.000 1.877 593 A HA -0.222 4.098 4.320 0.001 0.000 0.216 593 A C 2.029 179.799 177.584 0.309 0.000 1.186 593 A CA 1.512 53.801 52.037 0.420 0.000 0.620 593 A CB -1.084 18.217 19.000 0.502 0.000 0.822 593 A HN 0.555 nan 8.150 nan 0.000 0.443 594 Y N -0.019 120.322 120.300 0.068 0.000 2.089 594 Y HA -0.183 4.367 4.550 0.000 0.000 0.282 594 Y C 2.004 177.844 175.900 -0.099 0.000 1.139 594 Y CA 1.853 59.912 58.100 -0.069 0.000 1.123 594 Y CB -0.436 37.859 38.460 -0.275 0.000 0.980 594 Y HN 0.188 nan 8.280 nan 0.000 0.493 595 L N -0.208 120.990 121.223 -0.043 0.000 2.042 595 L HA -0.246 4.095 4.340 0.001 0.000 0.210 595 L C 2.333 179.251 176.870 0.079 0.000 1.076 595 L CA 1.956 56.781 54.840 -0.025 0.000 0.749 595 L CB -1.870 40.279 42.059 0.151 0.000 0.893 595 L HN 0.511 nan 8.230 nan 0.000 0.432 596 Y N -0.458 119.874 120.300 0.055 0.000 2.070 596 Y HA -0.271 4.279 4.550 0.000 0.000 0.280 596 Y C 2.324 178.198 175.900 -0.044 0.000 1.148 596 Y CA 1.569 59.745 58.100 0.127 0.000 1.125 596 Y CB -0.647 37.975 38.460 0.271 0.000 0.975 596 Y HN 0.083 nan 8.280 nan 0.000 0.492 597 L N 0.758 121.737 121.223 -0.406 0.000 2.083 597 L HA -0.140 4.200 4.340 0.001 0.000 0.209 597 L C 2.442 179.063 176.870 -0.415 0.000 1.083 597 L CA 1.951 56.452 54.840 -0.565 0.000 0.752 597 L CB -1.381 40.461 42.059 -0.362 0.000 0.899 597 L HN 0.263 nan 8.230 nan 0.000 0.433 598 E N -0.840 119.117 120.200 -0.404 0.000 2.106 598 E HA -0.156 4.194 4.350 0.001 0.000 0.192 598 E C 2.082 178.582 176.600 -0.167 0.000 0.984 598 E CA 0.839 57.027 56.400 -0.355 0.000 0.806 598 E CB -0.132 29.243 29.700 -0.542 0.000 0.750 598 E HN 0.151 nan 8.360 nan 0.000 0.458 599 L N 0.033 121.216 121.223 -0.068 0.000 2.093 599 L HA -0.063 4.277 4.340 0.001 0.000 0.208 599 L C 2.195 179.096 176.870 0.053 0.000 1.085 599 L CA 1.105 56.025 54.840 0.133 0.000 0.755 599 L CB -1.033 41.272 42.059 0.409 0.000 0.904 599 L HN 0.264 nan 8.230 nan 0.000 0.435 600 L N -0.441 120.559 121.223 -0.370 0.000 2.027 600 L HA -0.182 4.158 4.340 0.001 0.000 0.206 600 L C 2.427 179.137 176.870 -0.265 0.000 1.074 600 L CA 1.778 56.201 54.840 -0.696 0.000 0.745 600 L CB -0.568 40.913 42.059 -0.963 0.000 0.898 600 L HN 0.171 nan 8.230 nan 0.000 0.433 601 K N -0.642 119.651 120.400 -0.177 0.000 2.097 601 K HA -0.222 4.098 4.320 0.001 0.000 0.206 601 K C 1.835 178.439 176.600 0.006 0.000 1.049 601 K CA 1.678 57.946 56.287 -0.031 0.000 0.933 601 K CB -0.305 32.147 32.500 -0.080 0.000 0.717 601 K HN 0.470 nan 8.250 nan 0.000 0.442 602 D N 0.482 120.878 120.400 -0.007 0.000 2.178 602 D HA -0.131 4.510 4.640 0.001 0.000 0.202 602 D C 1.907 178.248 176.300 0.069 0.000 0.974 602 D CA 1.472 55.491 54.000 0.032 0.000 0.841 602 D CB 0.146 40.969 40.800 0.039 0.000 0.953 602 D HN 0.142 nan 8.370 nan 0.000 0.478 603 S N -0.801 114.958 115.700 0.099 0.000 2.461 603 S HA 0.003 4.473 4.470 0.001 0.000 0.228 603 S C 1.922 176.581 174.600 0.099 0.000 1.005 603 S CA 0.198 58.477 58.200 0.132 0.000 0.942 603 S CB -0.282 63.080 63.200 0.269 0.000 0.776 603 S HN 0.337 nan 8.310 nan 0.000 0.514 604 L N 1.462 122.732 121.223 0.079 0.000 2.529 604 L HA 0.164 4.504 4.340 0.001 0.000 0.223 604 L C 2.640 179.627 176.870 0.194 0.000 1.113 604 L CA 0.165 55.071 54.840 0.110 0.000 0.861 604 L CB -0.535 41.561 42.059 0.062 0.000 1.012 604 L HN 0.467 nan 8.230 nan 0.000 0.461 605 N N 0.961 119.749 118.700 0.147 0.000 2.037 605 N HA -0.286 4.455 4.740 0.001 0.000 0.196 605 N C 1.522 177.133 175.510 0.167 0.000 1.034 605 N CA 1.961 55.095 53.050 0.139 0.000 0.861 605 N CB 0.088 38.616 38.487 0.067 0.000 1.039 605 N HN 0.425 nan 8.380 nan 0.000 0.427 606 E N -0.719 119.572 120.200 0.153 0.000 2.070 606 E HA -0.248 4.102 4.350 0.001 0.000 0.197 606 E C 1.895 178.652 176.600 0.261 0.000 1.004 606 E CA 1.438 57.943 56.400 0.174 0.000 0.805 606 E CB -0.309 29.486 29.700 0.158 0.000 0.744 606 E HN 0.528 nan 8.360 nan 0.000 0.451 607 Y N 0.819 121.206 120.300 0.144 0.000 2.163 607 Y HA -0.147 4.403 4.550 0.000 0.000 0.288 607 Y C 2.209 178.203 175.900 0.156 0.000 1.136 607 Y CA 1.557 59.762 58.100 0.175 0.000 1.147 607 Y CB -0.292 38.250 38.460 0.137 0.000 0.987 607 Y HN -0.023 nan 8.280 nan 0.000 0.509 608 A N -0.923 122.023 122.820 0.209 0.000 2.067 608 A HA -0.179 4.142 4.320 0.001 0.000 0.219 608 A C 1.989 179.550 177.584 -0.039 0.000 1.158 608 A CA 1.201 53.252 52.037 0.024 0.000 0.661 608 A CB -1.391 17.769 19.000 0.265 0.000 0.801 608 A HN 0.731 nan 8.150 nan 0.000 0.452 609 Y N 0.754 121.018 120.300 -0.060 0.000 2.145 609 Y HA -0.152 4.398 4.550 0.001 0.000 0.286 609 Y C 2.635 178.469 175.900 -0.111 0.000 1.145 609 Y CA 1.213 59.256 58.100 -0.095 0.000 1.148 609 Y CB -0.570 37.828 38.460 -0.103 0.000 0.981 609 Y HN 0.316 nan 8.280 nan 0.000 0.507 610 A N 0.263 123.062 122.820 -0.037 0.000 1.908 610 A HA -0.154 4.167 4.320 0.001 0.000 0.218 610 A C 2.439 179.931 177.584 -0.154 0.000 1.181 610 A CA 2.031 54.063 52.037 -0.009 0.000 0.627 610 A CB -1.492 17.636 19.000 0.212 0.000 0.818 610 A HN 0.588 nan 8.150 nan 0.000 0.445 611 A N -0.435 122.089 122.820 -0.492 0.000 1.877 611 A HA -0.196 4.125 4.320 0.001 0.000 0.216 611 A C 2.041 179.412 177.584 -0.356 0.000 1.186 611 A CA 1.821 53.383 52.037 -0.792 0.000 0.620 611 A CB -0.594 17.581 19.000 -1.374 0.000 0.822 611 A HN 0.672 nan 8.150 nan 0.000 0.443 612 E N -0.711 119.297 120.200 -0.321 0.000 2.085 612 E HA -0.215 4.135 4.350 0.001 0.000 0.194 612 E C 1.802 178.261 176.600 -0.235 0.000 0.994 612 E CA 1.264 57.513 56.400 -0.252 0.000 0.801 612 E CB -0.162 29.372 29.700 -0.275 0.000 0.743 612 E HN 0.361 nan 8.360 nan 0.000 0.453 613 L N 0.650 121.683 121.223 -0.317 0.000 2.083 613 L HA -0.094 4.246 4.340 0.001 0.000 0.209 613 L C 2.061 178.912 176.870 -0.032 0.000 1.083 613 L CA 1.838 56.557 54.840 -0.202 0.000 0.752 613 L CB -0.855 41.082 42.059 -0.204 0.000 0.899 613 L HN 0.166 nan 8.230 nan 0.000 0.433 614 A N -1.231 121.594 122.820 0.009 0.000 2.359 614 A HA 0.443 4.764 4.320 0.001 0.000 0.240 614 A C 1.549 179.282 177.584 0.248 0.000 1.306 614 A CA 0.516 52.640 52.037 0.145 0.000 0.898 614 A CB -1.127 17.985 19.000 0.187 0.000 0.956 614 A HN 0.546 nan 8.150 nan 0.000 0.497 615 G N -0.984 107.887 108.800 0.118 0.000 2.198 615 G HA2 -0.212 3.748 3.960 0.001 0.000 0.260 615 G HA3 -0.212 3.748 3.960 0.001 0.000 0.260 615 G C -0.031 174.827 174.900 -0.071 0.000 1.025 615 G CA 0.516 45.632 45.100 0.026 0.000 0.769 615 G HN 0.837 nan 8.290 nan 0.000 0.507 616 L N 1.619 122.811 121.223 -0.051 0.000 2.388 616 L HA 0.640 4.981 4.340 0.001 0.000 0.267 616 L C 0.388 177.188 176.870 -0.117 0.000 0.995 616 L CA -0.052 54.741 54.840 -0.078 0.000 0.864 616 L CB 1.388 43.404 42.059 -0.071 0.000 1.216 616 L HN 0.415 nan 8.230 nan 0.000 0.430 617 S N 3.235 118.891 115.700 -0.074 0.000 2.677 617 S HA 0.775 5.246 4.470 0.001 0.000 0.304 617 S C -0.937 173.704 174.600 0.067 0.000 1.108 617 S CA -0.614 57.567 58.200 -0.031 0.000 0.944 617 S CB 2.242 65.388 63.200 -0.090 0.000 1.127 617 S HN 0.561 nan 8.310 nan 0.000 0.511 618 Y N -1.037 119.199 120.300 -0.107 0.000 2.625 618 Y HA 0.816 5.366 4.550 0.000 0.000 0.338 618 Y C -1.900 173.947 175.900 -0.089 0.000 1.123 618 Y CA -0.952 57.089 58.100 -0.099 0.000 1.046 618 Y CB 1.438 39.840 38.460 -0.097 0.000 1.299 618 Y HN 0.661 nan 8.280 nan 0.000 0.464 619 D N 1.832 122.129 120.400 -0.171 0.000 2.787 619 D HA 0.492 5.133 4.640 0.001 0.000 0.246 619 D C -2.192 174.036 176.300 -0.120 0.000 1.150 619 D CA -0.230 53.634 54.000 -0.226 0.000 0.864 619 D CB 2.181 42.944 40.800 -0.061 0.000 1.481 619 D HN 0.695 nan 8.370 nan 0.000 0.509 620 L N 3.301 124.460 121.223 -0.108 0.000 2.404 620 L HA 0.503 4.843 4.340 0.001 0.000 0.272 620 L C -1.424 175.449 176.870 0.004 0.000 0.980 620 L CA -0.102 54.728 54.840 -0.016 0.000 0.836 620 L CB 1.407 43.489 42.059 0.039 0.000 1.238 620 L HN 0.449 nan 8.230 nan 0.000 0.408 621 Q N 2.656 122.526 119.800 0.117 0.000 2.389 621 Q HA 0.447 4.787 4.340 0.001 0.000 0.277 621 Q C -1.000 175.110 176.000 0.183 0.000 1.082 621 Q CA -0.929 54.963 55.803 0.149 0.000 0.810 621 Q CB 2.355 31.231 28.738 0.230 0.000 1.374 621 Q HN 0.771 nan 8.270 nan 0.000 0.422 622 N N -0.578 118.223 118.700 0.168 0.000 2.524 622 N HA 0.471 5.212 4.740 0.001 0.000 0.283 622 N C -0.495 175.133 175.510 0.197 0.000 1.142 622 N CA -0.399 52.780 53.050 0.216 0.000 0.984 622 N CB 1.276 39.919 38.487 0.261 0.000 1.155 622 N HN 0.610 nan 8.380 nan 0.000 0.467 623 T N -2.422 112.237 114.554 0.174 0.000 2.773 623 T HA 0.311 4.661 4.350 0.001 0.000 0.278 623 T C 1.170 175.830 174.700 -0.067 0.000 1.011 623 T CA -0.978 61.147 62.100 0.042 0.000 1.014 623 T CB 0.451 69.338 68.868 0.031 0.000 1.293 623 T HN 0.620 nan 8.240 nan 0.000 0.554 624 I N -2.047 118.294 120.570 -0.381 0.000 3.001 624 I HA 0.157 4.327 4.170 0.001 0.000 0.268 624 I C 1.064 177.009 176.117 -0.286 0.000 1.267 624 I CA 0.683 61.528 61.300 -0.760 0.000 1.472 624 I CB -0.495 36.901 38.000 -1.007 0.000 1.089 624 I HN 0.603 nan 8.210 nan 0.000 0.468 625 Y N 1.215 121.533 120.300 0.030 0.000 2.500 625 Y HA 0.516 5.066 4.550 0.001 0.000 0.246 625 Y C 1.497 177.520 175.900 0.205 0.000 1.146 625 Y CA -0.232 57.945 58.100 0.129 0.000 1.230 625 Y CB 1.120 39.675 38.460 0.158 0.000 1.214 625 Y HN 0.368 nan 8.280 nan 0.000 0.526 626 G N 0.485 109.472 108.800 0.312 0.000 2.251 626 G HA2 0.069 4.029 3.960 0.001 0.000 0.058 626 G HA3 0.069 4.029 3.960 0.001 0.000 0.058 626 G C -1.072 173.996 174.900 0.279 0.000 0.922 626 G CA -0.768 44.519 45.100 0.312 0.000 1.133 626 G HN -0.065 nan 8.290 nan 0.000 0.410 627 M N -0.004 119.768 119.600 0.287 0.000 2.572 627 M HA 0.637 5.118 4.480 0.001 0.000 0.299 627 M C -1.574 174.984 176.300 0.429 0.000 1.205 627 M CA -0.765 54.724 55.300 0.314 0.000 0.876 627 M CB 2.962 35.700 32.600 0.230 0.000 1.728 627 M HN 0.578 nan 8.290 nan 0.000 0.458 628 Y N 2.527 122.979 120.300 0.253 0.000 2.361 628 Y HA 0.744 5.294 4.550 0.000 0.000 0.337 628 Y C -2.112 173.950 175.900 0.271 0.000 0.965 628 Y CA -1.009 57.255 58.100 0.273 0.000 1.091 628 Y CB 1.295 39.883 38.460 0.213 0.000 1.182 628 Y HN 0.664 nan 8.280 nan 0.000 0.450 629 L N 5.745 126.767 121.223 -0.335 0.000 2.408 629 L HA 0.673 5.013 4.340 0.001 0.000 0.268 629 L C -1.417 175.173 176.870 -0.468 0.000 0.986 629 L CA -0.399 54.283 54.840 -0.262 0.000 0.820 629 L CB 2.048 44.211 42.059 0.174 0.000 1.303 629 L HN 0.725 nan 8.230 nan 0.000 0.411 630 S N 3.361 118.837 115.700 -0.374 0.000 2.619 630 S HA 0.665 5.135 4.470 0.001 0.000 0.280 630 S C -1.368 173.210 174.600 -0.037 0.000 1.150 630 S CA -0.391 57.658 58.200 -0.252 0.000 0.978 630 S CB 1.686 64.694 63.200 -0.320 0.000 1.041 630 S HN 0.337 nan 8.310 nan 0.000 0.485 631 V N 6.113 126.038 119.914 0.019 0.000 2.409 631 V HA 0.580 4.700 4.120 0.001 0.000 0.291 631 V C -0.289 175.804 176.094 -0.002 0.000 1.020 631 V CA -0.582 61.748 62.300 0.050 0.000 0.848 631 V CB 1.523 33.394 31.823 0.079 0.000 0.990 631 V HN 0.816 nan 8.190 nan 0.000 0.430 632 K N 2.724 123.107 120.400 -0.028 0.000 2.395 632 K HA 0.914 5.235 4.320 0.001 0.000 0.247 632 K C 0.153 176.694 176.600 -0.099 0.000 0.973 632 K CA -0.326 55.917 56.287 -0.073 0.000 0.828 632 K CB 2.615 35.057 32.500 -0.097 0.000 1.272 632 K HN 0.989 nan 8.250 nan 0.000 0.439 633 G N 0.282 108.993 108.800 -0.150 0.000 2.318 633 G HA2 -0.125 3.835 3.960 0.001 0.000 0.367 633 G HA3 -0.125 3.835 3.960 0.001 0.000 0.367 633 G C -1.599 173.178 174.900 -0.205 0.000 1.260 633 G CA -1.072 43.876 45.100 -0.253 0.000 1.055 633 G HN 0.341 nan 8.290 nan 0.000 0.484 634 Y N 2.348 122.654 120.300 0.011 0.000 2.712 634 Y HA 0.108 4.659 4.550 0.000 0.000 0.333 634 Y C 2.277 178.179 175.900 0.003 0.000 1.225 634 Y CA 0.566 58.676 58.100 0.017 0.000 1.499 634 Y CB 0.439 38.942 38.460 0.071 0.000 1.288 634 Y HN 0.634 nan 8.280 nan 0.000 0.575 635 N N 1.068 119.852 118.700 0.139 0.000 2.331 635 N HA -0.203 4.537 4.740 0.001 0.000 0.180 635 N C 1.236 176.785 175.510 0.066 0.000 1.019 635 N CA 1.182 54.279 53.050 0.079 0.000 0.881 635 N CB -0.252 38.268 38.487 0.056 0.000 0.972 635 N HN 0.761 nan 8.380 nan 0.000 0.435 636 D N 1.830 122.254 120.400 0.040 0.000 2.355 636 D HA -0.208 4.432 4.640 0.001 0.000 0.192 636 D C 0.795 177.109 176.300 0.022 0.000 1.014 636 D CA 1.855 55.841 54.000 -0.023 0.000 0.862 636 D CB -0.139 40.584 40.800 -0.128 0.000 0.986 636 D HN 0.366 nan 8.370 nan 0.000 0.456 637 K N -0.219 120.230 120.400 0.081 0.000 2.437 637 K HA 0.161 4.481 4.320 0.001 0.000 0.205 637 K C 1.877 178.577 176.600 0.166 0.000 1.026 637 K CA -0.201 56.162 56.287 0.128 0.000 1.153 637 K CB 0.473 33.094 32.500 0.203 0.000 0.863 637 K HN 0.298 nan 8.250 nan 0.000 0.502 638 Q N 0.550 120.421 119.800 0.118 0.000 2.096 638 Q HA -0.132 4.208 4.340 0.001 0.000 0.204 638 Q C -0.972 175.083 176.000 0.092 0.000 0.982 638 Q CA 1.476 57.338 55.803 0.099 0.000 0.850 638 Q CB -0.851 27.935 28.738 0.080 0.000 0.901 638 Q HN 0.197 nan 8.270 nan 0.000 0.422 639 P HA -0.179 nan 4.420 nan 0.000 0.216 639 P C 1.080 178.420 177.300 0.065 0.000 1.150 639 P CA 1.216 64.354 63.100 0.062 0.000 0.843 639 P CB -0.055 31.673 31.700 0.047 0.000 0.787 640 I N -1.660 118.970 120.570 0.099 0.000 2.202 640 I HA -0.219 3.952 4.170 0.001 0.000 0.242 640 I C 2.234 178.466 176.117 0.192 0.000 1.091 640 I CA 1.070 62.447 61.300 0.129 0.000 1.368 640 I CB -0.670 37.408 38.000 0.131 0.000 1.058 640 I HN -0.051 nan 8.210 nan 0.000 0.410 641 L N 0.676 122.046 121.223 0.245 0.000 2.017 641 L HA -0.183 4.157 4.340 0.001 0.000 0.208 641 L C 2.274 179.141 176.870 -0.004 0.000 1.073 641 L CA 1.678 56.630 54.840 0.187 0.000 0.745 641 L CB -0.642 41.454 42.059 0.061 0.000 0.894 641 L HN 0.163 nan 8.230 nan 0.000 0.432 642 L N -0.347 120.860 121.223 -0.026 0.000 2.012 642 L HA -0.306 4.034 4.340 0.001 0.000 0.210 642 L C 2.709 179.510 176.870 -0.116 0.000 1.073 642 L CA 2.204 56.984 54.840 -0.099 0.000 0.748 642 L CB -0.400 41.627 42.059 -0.054 0.000 0.891 642 L HN 0.443 nan 8.230 nan 0.000 0.431 643 K N 0.168 120.534 120.400 -0.056 0.000 2.032 643 K HA -0.299 4.021 4.320 0.001 0.000 0.209 643 K C 2.207 178.752 176.600 -0.092 0.000 1.048 643 K CA 1.986 58.238 56.287 -0.058 0.000 0.927 643 K CB -0.049 32.440 32.500 -0.018 0.000 0.712 643 K HN 0.027 nan 8.250 nan 0.000 0.441 644 K N 1.167 121.518 120.400 -0.082 0.000 2.063 644 K HA -0.105 4.216 4.320 0.001 0.000 0.208 644 K C 1.823 178.293 176.600 -0.216 0.000 1.048 644 K CA 1.605 57.799 56.287 -0.155 0.000 0.928 644 K CB -0.243 32.167 32.500 -0.150 0.000 0.713 644 K HN 0.257 nan 8.250 nan 0.000 0.442 645 I N 0.463 120.892 120.570 -0.236 0.000 2.179 645 I HA -0.255 3.916 4.170 0.001 0.000 0.242 645 I C 1.848 177.809 176.117 -0.260 0.000 1.088 645 I CA 0.780 61.896 61.300 -0.307 0.000 1.357 645 I CB -0.292 37.465 38.000 -0.405 0.000 1.051 645 I HN 0.134 nan 8.210 nan 0.000 0.409 646 I N 0.756 121.196 120.570 -0.218 0.000 2.286 646 I HA -0.226 3.944 4.170 0.001 0.000 0.248 646 I C 2.445 178.465 176.117 -0.162 0.000 1.115 646 I CA 1.622 62.810 61.300 -0.188 0.000 1.392 646 I CB -1.353 36.563 38.000 -0.140 0.000 1.065 646 I HN 0.357 nan 8.210 nan 0.000 0.418 647 E N 0.864 120.962 120.200 -0.170 0.000 2.047 647 E HA -0.221 4.129 4.350 0.001 0.000 0.191 647 E C 2.136 178.599 176.600 -0.229 0.000 0.987 647 E CA 0.945 57.206 56.400 -0.231 0.000 0.799 647 E CB -0.151 29.402 29.700 -0.244 0.000 0.752 647 E HN 0.393 nan 8.360 nan 0.000 0.449 648 K N 0.436 120.722 120.400 -0.190 0.000 2.283 648 K HA -0.055 4.266 4.320 0.001 0.000 0.202 648 K C 2.087 178.633 176.600 -0.091 0.000 1.048 648 K CA 0.516 56.732 56.287 -0.119 0.000 0.948 648 K CB 0.020 32.433 32.500 -0.145 0.000 0.742 648 K HN 0.106 nan 8.250 nan 0.000 0.458 649 M N -0.546 118.960 119.600 -0.156 0.000 2.156 649 M HA -0.099 4.382 4.480 0.001 0.000 0.264 649 M C 1.507 177.826 176.300 0.031 0.000 1.067 649 M CA 1.559 56.788 55.300 -0.117 0.000 1.131 649 M CB 0.169 32.648 32.600 -0.203 0.000 1.368 649 M HN 0.103 nan 8.290 nan 0.000 0.416 650 A N -1.033 121.769 122.820 -0.030 0.000 2.345 650 A HA 0.123 4.443 4.320 0.001 0.000 0.225 650 A C 1.216 178.801 177.584 0.001 0.000 1.243 650 A CA 0.749 52.784 52.037 -0.003 0.000 0.875 650 A CB -0.461 18.540 19.000 0.002 0.000 0.929 650 A HN 0.569 nan 8.150 nan 0.000 0.502 651 T N -4.749 109.805 114.554 0.000 0.000 3.262 651 T HA 0.288 4.638 4.350 0.001 0.000 0.300 651 T C -0.112 174.640 174.700 0.086 0.000 0.959 651 T CA -0.454 61.639 62.100 -0.011 0.000 0.936 651 T CB -0.688 68.090 68.868 -0.151 0.000 1.169 651 T HN 0.049 nan 8.240 nan 0.000 0.532 652 F N 3.436 123.366 119.950 -0.034 0.000 2.593 652 F HA 0.312 4.839 4.527 0.001 0.000 0.393 652 F C 0.357 176.154 175.800 -0.005 0.000 1.037 652 F CA -0.671 57.332 58.000 0.004 0.000 1.195 652 F CB 0.069 39.137 39.000 0.114 0.000 1.034 652 F HN 0.236 nan 8.300 nan 0.000 0.552 653 E N 6.566 126.431 120.200 -0.558 0.000 2.129 653 E HA 0.323 4.673 4.350 0.001 0.000 0.268 653 E C -0.476 175.627 176.600 -0.828 0.000 0.900 653 E CA -0.608 55.470 56.400 -0.537 0.000 0.755 653 E CB 1.252 30.795 29.700 -0.262 0.000 1.117 653 E HN 0.486 nan 8.360 nan 0.000 0.410 654 I N 2.521 122.671 120.570 -0.701 0.000 2.556 654 I HA -0.002 4.168 4.170 0.001 0.000 0.284 654 I C 0.347 176.309 176.117 -0.259 0.000 1.114 654 I CA 0.010 60.995 61.300 -0.525 0.000 1.418 654 I CB 0.439 38.245 38.000 -0.323 0.000 1.394 654 I HN 0.436 nan 8.210 nan 0.000 0.552 655 D N 5.727 126.043 120.400 -0.140 0.000 2.280 655 D HA 0.041 4.682 4.640 0.001 0.000 0.243 655 D C 0.884 177.207 176.300 0.038 0.000 1.129 655 D CA -0.153 53.818 54.000 -0.048 0.000 0.848 655 D CB 1.184 41.976 40.800 -0.013 0.000 1.107 655 D HN 0.594 nan 8.370 nan 0.000 0.471 656 E N 3.499 123.715 120.200 0.027 0.000 2.070 656 E HA -0.264 4.086 4.350 0.001 0.000 0.197 656 E C 1.391 178.101 176.600 0.184 0.000 1.004 656 E CA 1.189 57.656 56.400 0.112 0.000 0.805 656 E CB 0.256 29.989 29.700 0.055 0.000 0.744 656 E HN 0.455 nan 8.360 nan 0.000 0.451 657 K N -0.004 120.453 120.400 0.095 0.000 2.009 657 K HA -0.169 4.151 4.320 0.001 0.000 0.210 657 K C 2.365 179.014 176.600 0.082 0.000 1.049 657 K CA 1.260 57.590 56.287 0.072 0.000 0.929 657 K CB 0.020 32.534 32.500 0.025 0.000 0.714 657 K HN -0.007 nan 8.250 nan 0.000 0.440 658 R N 0.049 120.601 120.500 0.087 0.000 2.096 658 R HA -0.182 4.158 4.340 0.001 0.000 0.240 658 R C 2.251 178.628 176.300 0.129 0.000 1.139 658 R CA 1.546 57.702 56.100 0.092 0.000 0.952 658 R CB -0.908 29.453 30.300 0.101 0.000 0.854 658 R HN 0.323 nan 8.270 nan 0.000 0.436 659 F N 2.121 122.094 119.950 0.038 0.000 2.095 659 F HA -0.230 4.297 4.527 0.000 0.000 0.298 659 F C 2.261 178.095 175.800 0.056 0.000 1.104 659 F CA 1.877 59.908 58.000 0.052 0.000 1.232 659 F CB -0.278 38.744 39.000 0.037 0.000 0.987 659 F HN -0.028 nan 8.300 nan 0.000 0.475 660 E N 0.685 120.814 120.200 -0.118 0.000 2.051 660 E HA -0.164 4.186 4.350 0.001 0.000 0.192 660 E C 2.252 178.756 176.600 -0.159 0.000 0.991 660 E CA 1.921 58.186 56.400 -0.224 0.000 0.799 660 E CB -0.459 29.235 29.700 -0.008 0.000 0.748 660 E HN 0.570 nan 8.360 nan 0.000 0.449 661 I N 0.164 120.700 120.570 -0.056 0.000 2.163 661 I HA -0.281 3.889 4.170 0.001 0.000 0.243 661 I C 2.177 178.282 176.117 -0.020 0.000 1.085 661 I CA 1.107 62.395 61.300 -0.019 0.000 1.347 661 I CB -0.260 37.748 38.000 0.014 0.000 1.044 661 I HN 0.154 nan 8.210 nan 0.000 0.408 662 I N 0.532 121.088 120.570 -0.023 0.000 2.394 662 I HA -0.284 3.886 4.170 0.001 0.000 0.251 662 I C 2.611 178.745 176.117 0.028 0.000 1.136 662 I CA 1.199 62.507 61.300 0.015 0.000 1.425 662 I CB -0.333 37.681 38.000 0.024 0.000 1.079 662 I HN 0.213 nan 8.210 nan 0.000 0.425 663 K N 0.903 121.239 120.400 -0.106 0.000 2.057 663 K HA -0.241 4.080 4.320 0.001 0.000 0.207 663 K C 2.196 178.799 176.600 0.005 0.000 1.049 663 K CA 1.372 57.611 56.287 -0.081 0.000 0.931 663 K CB -0.048 32.216 32.500 -0.393 0.000 0.714 663 K HN 0.148 nan 8.250 nan 0.000 0.440 664 E N 0.594 120.772 120.200 -0.037 0.000 2.106 664 E HA -0.155 4.195 4.350 0.001 0.000 0.192 664 E C 1.709 178.326 176.600 0.028 0.000 0.984 664 E CA 1.219 57.612 56.400 -0.012 0.000 0.806 664 E CB -0.056 29.633 29.700 -0.018 0.000 0.750 664 E HN 0.412 nan 8.360 nan 0.000 0.458 665 A N 0.297 123.154 122.820 0.062 0.000 1.930 665 A HA -0.188 4.133 4.320 0.001 0.000 0.217 665 A C 2.107 179.785 177.584 0.157 0.000 1.175 665 A CA 1.360 53.453 52.037 0.093 0.000 0.627 665 A CB -0.837 18.222 19.000 0.099 0.000 0.815 665 A HN 0.445 nan 8.150 nan 0.000 0.443 666 Y N -0.213 120.115 120.300 0.046 0.000 2.200 666 Y HA -0.154 4.397 4.550 0.001 0.000 0.290 666 Y C 2.194 178.082 175.900 -0.020 0.000 1.137 666 Y CA 1.912 60.037 58.100 0.042 0.000 1.163 666 Y CB -0.490 38.036 38.460 0.109 0.000 0.988 666 Y HN 0.341 nan 8.280 nan 0.000 0.518 667 M N 0.507 120.039 119.600 -0.113 0.000 2.080 667 M HA -0.161 4.319 4.480 0.001 0.000 0.260 667 M C 2.325 178.539 176.300 -0.143 0.000 1.068 667 M CA 1.921 57.094 55.300 -0.211 0.000 1.109 667 M CB -0.543 31.994 32.600 -0.105 0.000 1.342 667 M HN 0.145 nan 8.290 nan 0.000 0.405 668 R N -0.826 119.641 120.500 -0.055 0.000 2.081 668 R HA -0.140 4.200 4.340 0.001 0.000 0.235 668 R C 2.489 178.780 176.300 -0.015 0.000 1.131 668 R CA 1.801 57.888 56.100 -0.023 0.000 0.960 668 R CB -0.585 29.720 30.300 0.007 0.000 0.856 668 R HN 0.603 nan 8.270 nan 0.000 0.436 669 S N 0.112 115.812 115.700 0.001 0.000 2.370 669 S HA -0.127 4.344 4.470 0.001 0.000 0.226 669 S C 1.875 176.457 174.600 -0.029 0.000 1.033 669 S CA 1.227 59.443 58.200 0.027 0.000 1.011 669 S CB -0.190 63.073 63.200 0.106 0.000 0.852 669 S HN 0.325 nan 8.310 nan 0.000 0.457 670 L N 1.452 122.581 121.223 -0.158 0.000 2.046 670 L HA -0.088 4.252 4.340 0.001 0.000 0.208 670 L C 2.594 179.423 176.870 -0.068 0.000 1.077 670 L CA 1.250 55.977 54.840 -0.188 0.000 0.747 670 L CB -0.658 41.185 42.059 -0.359 0.000 0.896 670 L HN 0.337 nan 8.230 nan 0.000 0.432 671 N N 0.369 119.036 118.700 -0.055 0.000 2.188 671 N HA -0.162 4.578 4.740 0.001 0.000 0.184 671 N C 1.448 176.983 175.510 0.041 0.000 1.018 671 N CA 1.209 54.255 53.050 -0.005 0.000 0.858 671 N CB -0.483 37.995 38.487 -0.015 0.000 0.989 671 N HN 0.458 nan 8.380 nan 0.000 0.426 672 N N 0.025 118.751 118.700 0.045 0.000 2.519 672 N HA -0.123 4.617 4.740 0.001 0.000 0.186 672 N C 1.181 176.750 175.510 0.098 0.000 1.062 672 N CA 0.095 53.183 53.050 0.063 0.000 0.910 672 N CB -0.175 38.349 38.487 0.061 0.000 0.958 672 N HN 0.135 nan 8.380 nan 0.000 0.445 673 F N 2.776 122.700 119.950 -0.043 0.000 2.333 673 F HA -0.076 4.451 4.527 0.000 0.000 0.300 673 F C 2.253 178.100 175.800 0.077 0.000 1.083 673 F CA 0.858 58.825 58.000 -0.054 0.000 1.395 673 F CB -0.006 38.862 39.000 -0.220 0.000 1.056 673 F HN 0.029 nan 8.300 nan 0.000 0.529 674 R N 0.346 120.881 120.500 0.059 0.000 2.193 674 R HA -0.019 4.322 4.340 0.001 0.000 0.229 674 R C 1.821 178.174 176.300 0.088 0.000 1.110 674 R CA 1.275 57.433 56.100 0.098 0.000 0.988 674 R CB -1.003 29.350 30.300 0.088 0.000 0.871 674 R HN 0.242 nan 8.270 nan 0.000 0.458 675 A N 1.113 123.944 122.820 0.017 0.000 2.251 675 A HA 0.088 4.408 4.320 0.001 0.000 0.209 675 A C 0.106 177.722 177.584 0.053 0.000 1.187 675 A CA -0.137 51.906 52.037 0.010 0.000 0.823 675 A CB 0.013 19.018 19.000 0.009 0.000 0.846 675 A HN 0.215 nan 8.150 nan 0.000 0.486 676 E N 0.818 120.925 120.200 -0.156 0.000 2.392 676 E HA 0.153 4.503 4.350 0.001 0.000 0.256 676 E C -0.078 176.195 176.600 -0.545 0.000 1.145 676 E CA -0.112 56.094 56.400 -0.322 0.000 0.929 676 E CB 0.280 29.611 29.700 -0.615 0.000 0.998 676 E HN 0.519 nan 8.360 nan 0.000 0.442 677 Q N 1.245 120.676 119.800 -0.615 0.000 2.421 677 Q HA 0.013 4.353 4.340 0.001 0.000 0.255 677 Q C -1.541 174.050 176.000 -0.681 0.000 1.013 677 Q CA -1.285 54.041 55.803 -0.794 0.000 0.895 677 Q CB 0.105 28.578 28.738 -0.442 0.000 1.271 677 Q HN 0.185 nan 8.270 nan 0.000 0.460 678 P HA -0.253 nan 4.420 nan 0.000 0.215 678 P C 0.757 178.030 177.300 -0.045 0.000 1.157 678 P CA 1.860 64.847 63.100 -0.189 0.000 0.874 678 P CB 0.008 31.690 31.700 -0.029 0.000 0.790 679 H N -1.129 117.912 119.070 -0.049 0.000 2.421 679 H HA -0.062 4.494 4.556 0.000 0.000 0.298 679 H C 1.739 177.099 175.328 0.053 0.000 1.087 679 H CA 1.067 57.136 56.048 0.035 0.000 1.330 679 H CB -1.157 28.621 29.762 0.026 0.000 1.388 679 H HN 0.216 nan 8.280 nan 0.000 0.526 680 Q N 0.120 119.513 119.800 -0.680 0.000 2.172 680 Q HA -0.091 4.249 4.340 0.001 0.000 0.200 680 Q C 1.760 177.779 176.000 0.031 0.000 0.964 680 Q CA 1.182 56.767 55.803 -0.363 0.000 0.855 680 Q CB -0.130 28.337 28.738 -0.451 0.000 0.918 680 Q HN 0.782 nan 8.270 nan 0.000 0.444 681 H N 0.338 119.308 119.070 -0.167 0.000 2.389 681 H HA -0.025 4.531 4.556 0.000 0.000 0.299 681 H C 2.222 177.565 175.328 0.025 0.000 1.081 681 H CA 0.442 56.425 56.048 -0.108 0.000 1.345 681 H CB 0.211 29.932 29.762 -0.068 0.000 1.393 681 H HN 0.310 nan 8.280 nan 0.000 0.520 682 A N 1.295 124.297 122.820 0.303 0.000 1.865 682 A HA -0.229 4.092 4.320 0.001 0.000 0.217 682 A C 2.409 180.160 177.584 0.277 0.000 1.191 682 A CA 1.735 53.990 52.037 0.365 0.000 0.623 682 A CB -0.692 18.493 19.000 0.309 0.000 0.826 682 A HN 0.285 nan 8.150 nan 0.000 0.444 683 M N -2.214 117.504 119.600 0.198 0.000 2.108 683 M HA -0.145 4.335 4.480 0.001 0.000 0.261 683 M C 2.258 178.636 176.300 0.131 0.000 1.066 683 M CA 2.073 57.458 55.300 0.141 0.000 1.107 683 M CB -0.573 32.090 32.600 0.105 0.000 1.356 683 M HN 0.630 nan 8.290 nan 0.000 0.406 684 Y N 0.391 120.699 120.300 0.014 0.000 2.145 684 Y HA -0.291 4.259 4.550 0.001 0.000 0.286 684 Y C 1.989 177.852 175.900 -0.062 0.000 1.145 684 Y CA 1.623 59.681 58.100 -0.071 0.000 1.148 684 Y CB -0.625 37.784 38.460 -0.084 0.000 0.981 684 Y HN 0.105 nan 8.280 nan 0.000 0.507 685 Y N -0.469 119.843 120.300 0.021 0.000 2.224 685 Y HA -0.195 4.356 4.550 0.000 0.000 0.289 685 Y C 2.374 178.171 175.900 -0.171 0.000 1.146 685 Y CA 1.310 59.334 58.100 -0.126 0.000 1.182 685 Y CB -1.182 37.401 38.460 0.206 0.000 0.983 685 Y HN 0.288 nan 8.280 nan 0.000 0.524 686 L N 0.452 121.734 121.223 0.098 0.000 2.046 686 L HA -0.161 4.179 4.340 0.001 0.000 0.208 686 L C 2.550 179.375 176.870 -0.074 0.000 1.077 686 L CA 1.716 56.568 54.840 0.019 0.000 0.747 686 L CB -0.645 41.441 42.059 0.045 0.000 0.896 686 L HN 0.087 nan 8.230 nan 0.000 0.432 687 R N -0.730 119.707 120.500 -0.105 0.000 2.091 687 R HA -0.152 4.188 4.340 0.001 0.000 0.238 687 R C 2.278 178.478 176.300 -0.167 0.000 1.136 687 R CA 1.822 57.843 56.100 -0.131 0.000 0.959 687 R CB -0.329 29.899 30.300 -0.119 0.000 0.856 687 R HN 0.452 nan 8.270 nan 0.000 0.437 688 L N 0.326 121.398 121.223 -0.251 0.000 2.083 688 L HA -0.198 4.142 4.340 0.001 0.000 0.209 688 L C 2.254 179.010 176.870 -0.190 0.000 1.083 688 L CA 0.609 55.289 54.840 -0.266 0.000 0.752 688 L CB -0.352 41.485 42.059 -0.369 0.000 0.899 688 L HN 0.227 nan 8.230 nan 0.000 0.433 689 L N -0.917 120.203 121.223 -0.171 0.000 2.056 689 L HA -0.132 4.208 4.340 0.001 0.000 0.207 689 L C 2.314 179.229 176.870 0.075 0.000 1.078 689 L CA 1.763 56.546 54.840 -0.094 0.000 0.749 689 L CB -0.529 41.407 42.059 -0.205 0.000 0.901 689 L HN 0.241 nan 8.230 nan 0.000 0.433 690 M N -2.058 117.561 119.600 0.031 0.000 2.541 690 M HA 0.096 4.576 4.480 0.001 0.000 0.252 690 M C 0.796 177.108 176.300 0.021 0.000 1.125 690 M CA 0.289 55.634 55.300 0.074 0.000 1.091 690 M CB -0.943 31.697 32.600 0.066 0.000 1.420 690 M HN 0.101 nan 8.290 nan 0.000 0.486 691 T N 0.782 115.309 114.554 -0.045 0.000 2.799 691 T HA 0.126 4.476 4.350 0.001 0.000 0.286 691 T C 1.132 175.752 174.700 -0.133 0.000 0.973 691 T CA -0.213 61.845 62.100 -0.070 0.000 1.035 691 T CB 1.590 70.398 68.868 -0.101 0.000 0.932 691 T HN 0.424 nan 8.240 nan 0.000 0.469 692 E N 3.378 123.512 120.200 -0.110 0.000 2.086 692 E HA -0.130 4.220 4.350 0.001 0.000 0.205 692 E C -0.092 176.303 176.600 -0.341 0.000 1.027 692 E CA 1.370 57.672 56.400 -0.164 0.000 0.830 692 E CB 0.188 29.850 29.700 -0.063 0.000 0.751 692 E HN 0.454 nan 8.360 nan 0.000 0.456 693 V N -0.090 119.460 119.914 -0.607 0.000 2.588 693 V HA 0.698 4.818 4.120 0.001 0.000 0.304 693 V C -0.678 174.998 176.094 -0.696 0.000 1.042 693 V CA -0.218 61.602 62.300 -0.801 0.000 0.877 693 V CB 1.499 32.670 31.823 -1.087 0.000 0.996 693 V HN 0.330 nan 8.190 nan 0.000 0.425 694 A N 4.086 126.467 122.820 -0.731 0.000 2.511 694 A HA 0.605 4.925 4.320 0.001 0.000 0.292 694 A C -1.572 175.724 177.584 -0.481 0.000 1.045 694 A CA -0.656 51.109 52.037 -0.454 0.000 0.870 694 A CB 0.578 19.425 19.000 -0.255 0.000 1.361 694 A HN 0.775 nan 8.150 nan 0.000 0.396 695 W N 2.503 123.778 121.300 -0.042 0.000 2.316 695 W HA 0.484 5.144 4.660 0.001 0.000 0.311 695 W C 1.238 177.754 176.519 -0.005 0.000 1.217 695 W CA 0.126 57.416 57.345 -0.091 0.000 1.199 695 W CB 1.470 30.814 29.460 -0.193 0.000 1.202 695 W HN 0.801 nan 8.180 nan 0.000 0.528 696 T N -0.352 114.340 114.554 0.230 0.000 2.828 696 T HA 0.190 4.540 4.350 0.001 0.000 0.290 696 T C 1.032 175.842 174.700 0.184 0.000 1.019 696 T CA -0.490 61.727 62.100 0.196 0.000 1.031 696 T CB 1.225 70.197 68.868 0.174 0.000 1.001 696 T HN 0.544 nan 8.240 nan 0.000 0.531 697 K N 0.472 120.974 120.400 0.170 0.000 2.097 697 K HA -0.109 4.211 4.320 0.001 0.000 0.206 697 K C 1.832 178.438 176.600 0.010 0.000 1.049 697 K CA 1.587 57.883 56.287 0.014 0.000 0.933 697 K CB -0.136 32.284 32.500 -0.133 0.000 0.717 697 K HN 0.615 nan 8.250 nan 0.000 0.442 698 D N 1.106 121.545 120.400 0.065 0.000 2.144 698 D HA -0.147 4.494 4.640 0.001 0.000 0.199 698 D C 1.703 178.018 176.300 0.026 0.000 0.984 698 D CA 1.179 55.206 54.000 0.045 0.000 0.834 698 D CB 0.033 40.880 40.800 0.080 0.000 0.955 698 D HN 0.355 nan 8.370 nan 0.000 0.465 699 E N 0.087 120.318 120.200 0.052 0.000 2.106 699 E HA -0.119 4.231 4.350 0.001 0.000 0.192 699 E C 2.052 178.635 176.600 -0.028 0.000 0.984 699 E CA 0.248 56.663 56.400 0.024 0.000 0.806 699 E CB 0.082 29.832 29.700 0.084 0.000 0.750 699 E HN 0.099 nan 8.360 nan 0.000 0.458 700 L N 1.624 122.839 121.223 -0.013 0.000 2.017 700 L HA -0.180 4.160 4.340 0.001 0.000 0.208 700 L C 2.067 178.876 176.870 -0.102 0.000 1.073 700 L CA 1.765 56.576 54.840 -0.049 0.000 0.745 700 L CB -0.572 41.469 42.059 -0.031 0.000 0.894 700 L HN -0.008 nan 8.230 nan 0.000 0.432 701 K N -0.775 119.553 120.400 -0.121 0.000 2.057 701 K HA -0.235 4.085 4.320 0.001 0.000 0.207 701 K C 2.003 178.555 176.600 -0.079 0.000 1.049 701 K CA 1.369 57.575 56.287 -0.135 0.000 0.931 701 K CB -0.091 32.343 32.500 -0.111 0.000 0.714 701 K HN 0.187 nan 8.250 nan 0.000 0.440 702 E N 1.281 121.449 120.200 -0.054 0.000 2.049 702 E HA -0.187 4.164 4.350 0.001 0.000 0.198 702 E C 1.593 178.167 176.600 -0.042 0.000 1.007 702 E CA 1.804 58.181 56.400 -0.038 0.000 0.809 702 E CB -0.194 29.489 29.700 -0.028 0.000 0.749 702 E HN 0.288 nan 8.360 nan 0.000 0.450 703 A N -0.196 122.589 122.820 -0.058 0.000 2.235 703 A HA 0.044 4.364 4.320 0.001 0.000 0.208 703 A C 1.915 179.482 177.584 -0.028 0.000 1.172 703 A CA 0.621 52.624 52.037 -0.056 0.000 0.786 703 A CB -0.442 18.498 19.000 -0.099 0.000 0.804 703 A HN 0.366 nan 8.150 nan 0.000 0.479 704 L N 0.022 121.229 121.223 -0.027 0.000 2.109 704 L HA 0.003 4.343 4.340 0.001 0.000 0.207 704 L C 0.239 177.116 176.870 0.011 0.000 1.086 704 L CA 1.635 56.476 54.840 0.001 0.000 0.760 704 L CB -0.432 41.602 42.059 -0.042 0.000 0.910 704 L HN 0.346 nan 8.230 nan 0.000 0.437 705 D N -0.221 120.176 120.400 -0.004 0.000 2.977 705 D HA 0.047 4.687 4.640 0.001 0.000 0.241 705 D C 0.274 176.585 176.300 0.018 0.000 1.206 705 D CA 0.379 54.383 54.000 0.007 0.000 0.902 705 D CB 0.075 40.874 40.800 -0.003 0.000 1.131 705 D HN 0.311 nan 8.370 nan 0.000 0.447 706 D N -1.381 119.037 120.400 0.030 0.000 2.153 706 D HA 0.001 4.641 4.640 0.001 0.000 0.388 706 D C -0.154 176.177 176.300 0.052 0.000 1.014 706 D CA -0.004 54.015 54.000 0.030 0.000 0.906 706 D CB 0.872 41.678 40.800 0.010 0.000 1.552 706 D HN -0.035 nan 8.370 nan 0.000 0.522 707 V N 2.940 122.900 119.914 0.076 0.000 2.403 707 V HA 0.270 4.391 4.120 0.001 0.000 0.265 707 V C 0.735 176.986 176.094 0.261 0.000 1.034 707 V CA 0.366 62.745 62.300 0.131 0.000 1.036 707 V CB 0.008 31.928 31.823 0.162 0.000 1.032 707 V HN 0.245 nan 8.190 nan 0.000 0.478 708 T N 2.314 116.970 114.554 0.169 0.000 2.950 708 T HA 0.499 4.850 4.350 0.001 0.000 0.288 708 T C 0.779 175.408 174.700 -0.119 0.000 1.035 708 T CA -0.774 61.415 62.100 0.147 0.000 1.028 708 T CB 1.772 70.673 68.868 0.054 0.000 1.109 708 T HN 0.199 nan 8.240 nan 0.000 0.514 709 L N 1.750 122.744 121.223 -0.381 0.000 2.012 709 L HA 0.155 4.496 4.340 0.001 0.000 0.210 709 L C -0.937 175.724 176.870 -0.349 0.000 1.073 709 L CA 1.722 56.122 54.840 -0.734 0.000 0.748 709 L CB -1.750 39.968 42.059 -0.567 0.000 0.891 709 L HN 0.548 nan 8.230 nan 0.000 0.431 710 P HA -0.170 nan 4.420 nan 0.000 0.215 710 P C 1.612 178.858 177.300 -0.090 0.000 1.157 710 P CA 1.597 64.628 63.100 -0.115 0.000 0.868 710 P CB -0.107 31.552 31.700 -0.068 0.000 0.788 711 R N -0.836 119.620 120.500 -0.072 0.000 2.096 711 R HA -0.086 4.255 4.340 0.001 0.000 0.235 711 R C 2.355 178.636 176.300 -0.032 0.000 1.127 711 R CA 1.054 57.130 56.100 -0.040 0.000 0.968 711 R CB -1.164 29.119 30.300 -0.028 0.000 0.861 711 R HN 0.246 nan 8.270 nan 0.000 0.440 712 L N 1.132 122.308 121.223 -0.079 0.000 2.056 712 L HA -0.199 4.142 4.340 0.001 0.000 0.207 712 L C 2.015 178.896 176.870 0.017 0.000 1.078 712 L CA 1.579 56.405 54.840 -0.022 0.000 0.749 712 L CB -0.123 41.873 42.059 -0.104 0.000 0.901 712 L HN 0.135 nan 8.230 nan 0.000 0.433 713 K N -0.309 120.042 120.400 -0.081 0.000 2.097 713 K HA -0.148 4.173 4.320 0.001 0.000 0.206 713 K C 2.008 178.573 176.600 -0.058 0.000 1.049 713 K CA 1.334 57.572 56.287 -0.082 0.000 0.933 713 K CB -0.213 32.216 32.500 -0.117 0.000 0.717 713 K HN 0.388 nan 8.250 nan 0.000 0.442 714 A N 0.909 123.708 122.820 -0.035 0.000 1.968 714 A HA -0.115 4.205 4.320 0.001 0.000 0.217 714 A C 1.918 179.487 177.584 -0.025 0.000 1.169 714 A CA 0.721 52.739 52.037 -0.032 0.000 0.638 714 A CB -0.525 18.466 19.000 -0.014 0.000 0.812 714 A HN 0.356 nan 8.150 nan 0.000 0.446 715 F N 1.105 120.969 119.950 -0.143 0.000 2.102 715 F HA -0.170 4.357 4.527 0.001 0.000 0.298 715 F C 1.869 177.553 175.800 -0.193 0.000 1.105 715 F CA 1.661 59.564 58.000 -0.162 0.000 1.239 715 F CB -0.368 38.524 39.000 -0.181 0.000 0.991 715 F HN 0.190 nan 8.300 nan 0.000 0.474 716 I N 1.744 122.054 120.570 -0.432 0.000 2.087 716 I HA -0.301 3.869 4.170 0.001 0.000 0.240 716 I C -0.351 175.466 176.117 -0.500 0.000 1.054 716 I CA 2.012 62.910 61.300 -0.670 0.000 1.311 716 I CB -2.183 35.530 38.000 -0.478 0.000 1.024 716 I HN 0.159 nan 8.210 nan 0.000 0.402 717 P HA -0.217 nan 4.420 nan 0.000 0.219 717 P C 1.412 178.569 177.300 -0.239 0.000 1.146 717 P CA 1.638 64.618 63.100 -0.199 0.000 0.808 717 P CB -0.047 31.583 31.700 -0.117 0.000 0.779 718 Q N -0.089 119.513 119.800 -0.332 0.000 2.083 718 Q HA -0.081 4.260 4.340 0.001 0.000 0.198 718 Q C 2.156 177.881 176.000 -0.458 0.000 0.969 718 Q CA 0.968 56.527 55.803 -0.406 0.000 0.838 718 Q CB -1.263 27.211 28.738 -0.440 0.000 0.900 718 Q HN 0.077 nan 8.270 nan 0.000 0.436 719 L N -0.272 120.626 121.223 -0.542 0.000 2.093 719 L HA -0.076 4.264 4.340 0.001 0.000 0.208 719 L C 1.368 178.143 176.870 -0.158 0.000 1.085 719 L CA 1.438 56.048 54.840 -0.382 0.000 0.755 719 L CB -0.477 41.154 42.059 -0.713 0.000 0.904 719 L HN 0.358 nan 8.230 nan 0.000 0.435 720 L N -0.306 120.804 121.223 -0.190 0.000 2.509 720 L HA 0.014 4.354 4.340 0.001 0.000 0.222 720 L C 2.807 179.665 176.870 -0.019 0.000 1.123 720 L CA 1.240 56.034 54.840 -0.076 0.000 0.856 720 L CB -0.792 41.210 42.059 -0.095 0.000 0.985 720 L HN 0.337 nan 8.230 nan 0.000 0.456 721 S N -0.559 115.111 115.700 -0.051 0.000 2.370 721 S HA -0.134 4.336 4.470 0.001 0.000 0.226 721 S C 1.314 175.945 174.600 0.051 0.000 1.033 721 S CA 0.611 58.807 58.200 -0.006 0.000 1.011 721 S CB -0.059 63.108 63.200 -0.055 0.000 0.852 721 S HN 0.255 nan 8.310 nan 0.000 0.457 722 R N 0.193 120.741 120.500 0.080 0.000 2.513 722 R HA 0.816 5.156 4.340 0.001 0.000 0.301 722 R C -1.399 175.026 176.300 0.208 0.000 0.968 722 R CA -0.418 55.770 56.100 0.147 0.000 0.872 722 R CB 1.330 31.734 30.300 0.173 0.000 1.177 722 R HN 0.414 nan 8.270 nan 0.000 0.444 723 L N 1.401 122.764 121.223 0.234 0.000 2.600 723 L HA 0.543 4.884 4.340 0.001 0.000 0.257 723 L C -1.285 175.807 176.870 0.371 0.000 1.048 723 L CA -1.181 53.851 54.840 0.320 0.000 0.869 723 L CB 2.397 44.650 42.059 0.324 0.000 1.482 723 L HN 0.637 nan 8.230 nan 0.000 0.408 724 H N 0.816 120.096 119.070 0.350 0.000 2.759 724 H HA 0.662 5.218 4.556 0.000 0.000 0.354 724 H C -1.678 173.911 175.328 0.434 0.000 1.074 724 H CA -0.389 55.855 56.048 0.326 0.000 1.226 724 H CB 1.471 31.387 29.762 0.255 0.000 1.648 724 H HN 0.409 nan 8.280 nan 0.000 0.529 725 I N 4.256 124.653 120.570 -0.288 0.000 2.382 725 I HA 0.250 4.420 4.170 0.001 0.000 0.286 725 I C -0.339 175.634 176.117 -0.240 0.000 1.002 725 I CA -0.551 60.627 61.300 -0.203 0.000 1.135 725 I CB 1.683 39.632 38.000 -0.086 0.000 1.288 725 I HN 0.572 nan 8.210 nan 0.000 0.448 726 E N 5.593 125.810 120.200 0.028 0.000 2.133 726 E HA 0.743 5.093 4.350 0.001 0.000 0.274 726 E C -1.114 175.652 176.600 0.276 0.000 0.930 726 E CA -0.493 56.049 56.400 0.236 0.000 0.770 726 E CB 1.473 31.488 29.700 0.524 0.000 1.104 726 E HN 0.750 nan 8.360 nan 0.000 0.403 727 A N 4.531 127.496 122.820 0.242 0.000 2.386 727 A HA 0.708 5.028 4.320 0.001 0.000 0.308 727 A C -1.540 176.229 177.584 0.308 0.000 1.128 727 A CA -0.812 51.274 52.037 0.080 0.000 0.789 727 A CB 1.451 20.232 19.000 -0.365 0.000 1.325 727 A HN 0.624 nan 8.150 nan 0.000 0.437 728 L N 1.755 123.048 121.223 0.117 0.000 2.446 728 L HA 0.468 4.809 4.340 0.001 0.000 0.268 728 L C -2.058 174.821 176.870 0.016 0.000 0.975 728 L CA -0.601 54.380 54.840 0.235 0.000 0.848 728 L CB 1.324 43.629 42.059 0.411 0.000 1.225 728 L HN 0.615 nan 8.230 nan 0.000 0.410 729 L N 5.232 126.532 121.223 0.128 0.000 2.276 729 L HA 0.482 4.823 4.340 0.001 0.000 0.286 729 L C -0.551 176.491 176.870 0.286 0.000 1.024 729 L CA -0.287 54.650 54.840 0.161 0.000 0.826 729 L CB 0.900 43.087 42.059 0.214 0.000 1.211 729 L HN 0.443 nan 8.230 nan 0.000 0.422 730 H N 2.337 121.449 119.070 0.070 0.000 2.689 730 H HA 0.842 5.398 4.556 0.001 0.000 0.346 730 H C -0.087 175.261 175.328 0.033 0.000 1.037 730 H CA -0.174 55.892 56.048 0.030 0.000 1.234 730 H CB 1.579 31.375 29.762 0.056 0.000 1.572 730 H HN 0.659 nan 8.280 nan 0.000 0.524 731 G N 3.040 111.829 108.800 -0.018 0.000 2.334 731 G HA2 -0.107 3.854 3.960 0.001 0.000 0.249 731 G HA3 -0.107 3.854 3.960 0.001 0.000 0.249 731 G C -1.018 173.892 174.900 0.017 0.000 1.327 731 G CA -0.664 44.359 45.100 -0.128 0.000 0.979 731 G HN 0.718 nan 8.290 nan 0.000 0.471 732 N N 0.756 119.472 118.700 0.026 0.000 2.819 732 N HA 0.375 5.115 4.740 0.001 0.000 0.284 732 N C -0.315 175.261 175.510 0.111 0.000 1.196 732 N CA 0.037 53.132 53.050 0.075 0.000 1.114 732 N CB -0.263 38.261 38.487 0.062 0.000 1.437 732 N HN 0.600 nan 8.380 nan 0.000 0.518 733 I N 0.649 121.326 120.570 0.178 0.000 2.918 733 I HA 0.259 4.430 4.170 0.001 0.000 0.301 733 I C -0.446 175.859 176.117 0.312 0.000 1.312 733 I CA -0.562 60.863 61.300 0.209 0.000 1.007 733 I CB 2.303 40.435 38.000 0.221 0.000 1.281 733 I HN 0.164 nan 8.210 nan 0.000 0.440 734 T N 1.693 116.341 114.554 0.157 0.000 2.927 734 T HA 0.323 4.673 4.350 0.001 0.000 0.281 734 T C 0.880 175.411 174.700 -0.281 0.000 0.998 734 T CA -0.476 61.688 62.100 0.107 0.000 1.019 734 T CB 1.835 70.727 68.868 0.040 0.000 1.061 734 T HN 0.822 nan 8.240 nan 0.000 0.518 735 K N 0.007 120.173 120.400 -0.389 0.000 2.009 735 K HA -0.234 4.086 4.320 0.001 0.000 0.210 735 K C 2.308 178.625 176.600 -0.471 0.000 1.049 735 K CA 1.684 57.487 56.287 -0.807 0.000 0.929 735 K CB -0.284 32.045 32.500 -0.284 0.000 0.714 735 K HN 0.628 nan 8.250 nan 0.000 0.440 736 Q N 0.408 120.070 119.800 -0.230 0.000 2.135 736 Q HA -0.101 4.239 4.340 0.001 0.000 0.204 736 Q C 1.721 177.639 176.000 -0.137 0.000 0.981 736 Q CA 2.032 57.748 55.803 -0.144 0.000 0.856 736 Q CB -0.376 28.315 28.738 -0.078 0.000 0.902 736 Q HN 0.442 nan 8.270 nan 0.000 0.425 737 A N -0.026 122.713 122.820 -0.136 0.000 1.898 737 A HA -0.008 4.313 4.320 0.001 0.000 0.216 737 A C 2.266 179.788 177.584 -0.103 0.000 1.181 737 A CA 1.743 53.730 52.037 -0.084 0.000 0.620 737 A CB -1.100 17.877 19.000 -0.039 0.000 0.819 737 A HN 0.487 nan 8.150 nan 0.000 0.442 738 A N -0.092 122.590 122.820 -0.230 0.000 1.877 738 A HA -0.077 4.244 4.320 0.001 0.000 0.216 738 A C 2.154 179.665 177.584 -0.121 0.000 1.186 738 A CA 1.554 53.471 52.037 -0.201 0.000 0.620 738 A CB -0.678 18.021 19.000 -0.501 0.000 0.822 738 A HN 0.471 nan 8.150 nan 0.000 0.443 739 L N -0.674 120.449 121.223 -0.166 0.000 2.131 739 L HA -0.138 4.203 4.340 0.001 0.000 0.210 739 L C 2.779 179.626 176.870 -0.038 0.000 1.092 739 L CA 1.021 55.807 54.840 -0.091 0.000 0.759 739 L CB -0.696 41.301 42.059 -0.103 0.000 0.903 739 L HN 0.507 nan 8.230 nan 0.000 0.435 740 G N 0.066 108.841 108.800 -0.041 0.000 2.402 740 G HA2 -0.175 3.785 3.960 0.001 0.000 0.216 740 G HA3 -0.175 3.785 3.960 0.001 0.000 0.216 740 G C 1.597 176.509 174.900 0.020 0.000 1.162 740 G CA 0.480 45.574 45.100 -0.011 0.000 0.777 740 G HN 0.259 nan 8.290 nan 0.000 0.539 741 I N -0.032 120.561 120.570 0.039 0.000 2.202 741 I HA -0.160 4.011 4.170 0.001 0.000 0.242 741 I C 2.716 178.913 176.117 0.133 0.000 1.091 741 I CA 1.338 62.694 61.300 0.094 0.000 1.368 741 I CB -0.182 37.903 38.000 0.143 0.000 1.058 741 I HN 0.198 nan 8.210 nan 0.000 0.410 742 M N 0.369 120.055 119.600 0.143 0.000 2.080 742 M HA -0.249 4.232 4.480 0.001 0.000 0.260 742 M C 2.288 178.651 176.300 0.106 0.000 1.068 742 M CA 1.853 57.258 55.300 0.175 0.000 1.109 742 M CB -0.506 32.163 32.600 0.115 0.000 1.342 742 M HN 0.084 nan 8.290 nan 0.000 0.405 743 Q N -0.407 119.429 119.800 0.060 0.000 2.096 743 Q HA -0.213 4.128 4.340 0.001 0.000 0.204 743 Q C 2.150 178.172 176.000 0.037 0.000 0.982 743 Q CA 1.925 57.752 55.803 0.039 0.000 0.850 743 Q CB -0.599 28.150 28.738 0.018 0.000 0.901 743 Q HN 0.624 nan 8.270 nan 0.000 0.422 744 M N -0.016 119.606 119.600 0.035 0.000 2.117 744 M HA -0.135 4.345 4.480 0.001 0.000 0.262 744 M C 1.942 178.254 176.300 0.020 0.000 1.065 744 M CA 1.203 56.517 55.300 0.023 0.000 1.114 744 M CB -0.350 32.262 32.600 0.020 0.000 1.361 744 M HN 0.023 nan 8.290 nan 0.000 0.408 745 V N 1.335 121.264 119.914 0.024 0.000 2.295 745 V HA -0.283 3.837 4.120 0.001 0.000 0.246 745 V C 2.221 178.346 176.094 0.053 0.000 1.049 745 V CA 2.186 64.490 62.300 0.005 0.000 1.024 745 V CB -0.920 30.884 31.823 -0.033 0.000 0.648 745 V HN 0.510 nan 8.190 nan 0.000 0.447 746 E N 0.090 120.334 120.200 0.073 0.000 2.023 746 E HA -0.261 4.089 4.350 0.001 0.000 0.196 746 E C 2.007 178.634 176.600 0.045 0.000 1.003 746 E CA 1.612 58.058 56.400 0.076 0.000 0.809 746 E CB -0.365 29.378 29.700 0.071 0.000 0.755 746 E HN 0.582 nan 8.360 nan 0.000 0.449 747 D N 0.266 120.682 120.400 0.028 0.000 2.133 747 D HA -0.146 4.495 4.640 0.001 0.000 0.195 747 D C 2.019 178.315 176.300 -0.007 0.000 0.997 747 D CA 1.566 55.568 54.000 0.004 0.000 0.840 747 D CB -0.599 40.201 40.800 -0.000 0.000 0.947 747 D HN 0.141 nan 8.370 nan 0.000 0.452 748 T N 0.826 115.394 114.554 0.023 0.000 2.737 748 T HA -0.050 4.300 4.350 0.001 0.000 0.265 748 T C 2.260 177.004 174.700 0.073 0.000 1.038 748 T CA 0.522 62.666 62.100 0.073 0.000 1.144 748 T CB -0.280 68.626 68.868 0.063 0.000 0.866 748 T HN 0.114 nan 8.240 nan 0.000 0.434 749 L N 0.181 121.428 121.223 0.039 0.000 2.017 749 L HA -0.021 4.320 4.340 0.001 0.000 0.208 749 L C 2.470 179.332 176.870 -0.014 0.000 1.073 749 L CA 1.185 56.041 54.840 0.027 0.000 0.745 749 L CB -0.527 41.567 42.059 0.058 0.000 0.894 749 L HN 0.248 nan 8.230 nan 0.000 0.432 750 I N -0.324 120.235 120.570 -0.017 0.000 2.179 750 I HA -0.317 3.853 4.170 0.001 0.000 0.242 750 I C 2.668 178.683 176.117 -0.170 0.000 1.088 750 I CA 1.567 62.839 61.300 -0.047 0.000 1.357 750 I CB -0.288 37.705 38.000 -0.011 0.000 1.051 750 I HN 0.355 nan 8.210 nan 0.000 0.409 751 E N 0.207 120.283 120.200 -0.207 0.000 2.072 751 E HA -0.236 4.114 4.350 0.001 0.000 0.191 751 E C 2.043 178.296 176.600 -0.578 0.000 0.985 751 E CA 1.270 57.445 56.400 -0.376 0.000 0.801 751 E CB 0.068 29.520 29.700 -0.413 0.000 0.750 751 E HN 0.575 nan 8.360 nan 0.000 0.452 752 H N -1.634 117.288 119.070 -0.246 0.000 2.582 752 H HA 0.246 4.802 4.556 0.001 0.000 0.269 752 H C 1.090 176.258 175.328 -0.267 0.000 0.962 752 H CA 1.003 56.912 56.048 -0.232 0.000 1.230 752 H CB 0.935 30.624 29.762 -0.121 0.000 1.445 752 H HN 0.249 nan 8.280 nan 0.000 0.528 753 A N -0.113 122.613 122.820 -0.157 0.000 2.469 753 A HA 0.096 4.417 4.320 0.001 0.000 0.245 753 A C -0.068 177.499 177.584 -0.029 0.000 1.221 753 A CA -0.252 51.740 52.037 -0.075 0.000 0.946 753 A CB 0.020 19.008 19.000 -0.020 0.000 1.049 753 A HN 0.440 nan 8.150 nan 0.000 0.529 754 H N 0.531 119.601 119.070 0.001 0.000 2.776 754 H HA -0.135 4.421 4.556 0.001 0.000 0.300 754 H C -0.193 175.140 175.328 0.009 0.000 1.161 754 H CA 1.098 57.143 56.048 -0.004 0.000 1.147 754 H CB -2.591 27.163 29.762 -0.013 0.000 1.366 754 H HN 0.426 nan 8.280 nan 0.000 0.397 755 T N 1.702 116.299 114.554 0.071 0.000 2.946 755 T HA 0.278 4.628 4.350 0.001 0.000 0.311 755 T C 1.021 175.775 174.700 0.090 0.000 1.063 755 T CA 0.315 62.463 62.100 0.079 0.000 1.139 755 T CB 1.346 70.261 68.868 0.079 0.000 0.994 755 T HN 0.246 nan 8.240 nan 0.000 0.547 756 K N 2.984 123.442 120.400 0.097 0.000 2.443 756 K HA 0.461 4.781 4.320 0.001 0.000 0.251 756 K C -2.882 173.788 176.600 0.116 0.000 0.972 756 K CA -2.350 53.993 56.287 0.094 0.000 0.833 756 K CB 1.737 34.284 32.500 0.078 0.000 1.317 756 K HN 0.235 nan 8.250 nan 0.000 0.441 757 P HA 0.052 nan 4.420 nan 0.000 0.268 757 P C -0.566 176.808 177.300 0.123 0.000 1.205 757 P CA -0.047 63.133 63.100 0.133 0.000 0.771 757 P CB 0.483 32.247 31.700 0.107 0.000 0.858 758 L N 2.602 123.913 121.223 0.147 0.000 2.466 758 L HA 0.214 4.554 4.340 0.001 0.000 0.257 758 L C 0.538 177.436 176.870 0.047 0.000 1.189 758 L CA -0.688 54.222 54.840 0.117 0.000 0.813 758 L CB 0.210 42.358 42.059 0.149 0.000 1.118 758 L HN 0.159 nan 8.230 nan 0.000 0.471 759 L N 2.784 124.026 121.223 0.030 0.000 2.350 759 L HA 0.200 4.540 4.340 0.001 0.000 0.275 759 L C -1.199 175.636 176.870 -0.057 0.000 1.099 759 L CA -1.332 53.505 54.840 -0.006 0.000 0.808 759 L CB 0.769 42.833 42.059 0.007 0.000 1.149 759 L HN 0.405 nan 8.230 nan 0.000 0.442 760 P HA -0.140 nan 4.420 nan 0.000 0.219 760 P C 1.270 178.500 177.300 -0.115 0.000 1.146 760 P CA 1.130 64.149 63.100 -0.136 0.000 0.808 760 P CB 0.260 31.890 31.700 -0.116 0.000 0.779 761 S N -0.977 114.680 115.700 -0.071 0.000 2.515 761 S HA -0.089 4.381 4.470 0.001 0.000 0.231 761 S C 1.962 176.530 174.600 -0.053 0.000 0.987 761 S CA 0.519 58.685 58.200 -0.057 0.000 0.936 761 S CB -0.871 62.310 63.200 -0.032 0.000 0.766 761 S HN 0.235 nan 8.310 nan 0.000 0.528 762 Q N 0.017 119.787 119.800 -0.050 0.000 2.398 762 Q HA 0.249 4.589 4.340 0.001 0.000 0.204 762 Q C -0.186 175.774 176.000 -0.066 0.000 0.932 762 Q CA 0.096 55.882 55.803 -0.028 0.000 0.916 762 Q CB 0.073 28.824 28.738 0.021 0.000 1.024 762 Q HN 0.394 nan 8.270 nan 0.000 0.504 763 L N 2.189 123.326 121.223 -0.143 0.000 2.376 763 L HA 0.137 4.477 4.340 0.001 0.000 0.250 763 L C -0.220 176.489 176.870 -0.270 0.000 1.335 763 L CA 0.295 54.983 54.840 -0.253 0.000 1.214 763 L CB -0.923 40.898 42.059 -0.396 0.000 1.395 763 L HN -0.073 nan 8.230 nan 0.000 0.424 764 V N 3.231 123.009 119.914 -0.226 0.000 2.607 764 V HA 0.421 4.541 4.120 0.001 0.000 0.289 764 V C 0.615 176.423 176.094 -0.475 0.000 1.053 764 V CA -0.758 61.400 62.300 -0.236 0.000 0.996 764 V CB 1.637 33.401 31.823 -0.099 0.000 0.995 764 V HN 0.528 nan 8.190 nan 0.000 0.476 765 R N 2.821 123.079 120.500 -0.403 0.000 2.711 765 R HA 0.483 4.823 4.340 0.001 0.000 0.284 765 R C -0.991 175.223 176.300 -0.143 0.000 0.968 765 R CA -0.673 55.122 56.100 -0.509 0.000 0.924 765 R CB 1.267 31.378 30.300 -0.314 0.000 1.162 765 R HN 0.629 nan 8.270 nan 0.000 0.465 766 Y N 1.209 121.635 120.300 0.211 0.000 2.301 766 Y HA 0.336 4.886 4.550 0.001 0.000 0.328 766 Y C 1.051 177.005 175.900 0.091 0.000 1.242 766 Y CA -0.555 57.639 58.100 0.158 0.000 1.323 766 Y CB 1.062 39.627 38.460 0.177 0.000 1.266 766 Y HN 0.187 nan 8.280 nan 0.000 0.527 767 R N 0.850 121.499 120.500 0.248 0.000 2.758 767 R HA 0.321 4.661 4.340 0.001 0.000 0.265 767 R C -1.009 175.371 176.300 0.134 0.000 1.016 767 R CA -1.078 55.117 56.100 0.159 0.000 1.040 767 R CB 1.331 31.713 30.300 0.137 0.000 1.152 767 R HN 0.621 nan 8.270 nan 0.000 0.503 768 E N 0.754 121.042 120.200 0.147 0.000 2.242 768 E HA 0.225 4.576 4.350 0.001 0.000 0.275 768 E C -0.720 176.020 176.600 0.232 0.000 1.002 768 E CA -0.725 55.764 56.400 0.149 0.000 0.841 768 E CB 1.300 31.063 29.700 0.105 0.000 1.109 768 E HN 0.210 nan 8.360 nan 0.000 0.394 769 V N 3.479 123.480 119.914 0.145 0.000 2.872 769 V HA -0.070 4.050 4.120 0.001 0.000 0.307 769 V C 0.264 176.456 176.094 0.164 0.000 1.072 769 V CA 0.467 62.802 62.300 0.059 0.000 1.148 769 V CB 1.040 32.837 31.823 -0.044 0.000 0.954 769 V HN 0.746 nan 8.190 nan 0.000 0.490 770 Q N 4.265 124.025 119.800 -0.066 0.000 2.400 770 Q HA 0.350 4.691 4.340 0.001 0.000 0.255 770 Q C -1.096 174.769 176.000 -0.226 0.000 1.008 770 Q CA -0.828 54.812 55.803 -0.272 0.000 0.841 770 Q CB 0.890 29.145 28.738 -0.805 0.000 1.220 770 Q HN 0.549 nan 8.270 nan 0.000 0.474 771 L N 5.883 127.042 121.223 -0.107 0.000 2.439 771 L HA 0.368 4.708 4.340 0.001 0.000 0.269 771 L C -1.894 174.941 176.870 -0.059 0.000 1.179 771 L CA -1.545 53.284 54.840 -0.018 0.000 0.828 771 L CB -0.114 42.052 42.059 0.179 0.000 1.106 771 L HN 0.665 nan 8.230 nan 0.000 0.467 772 P HA 0.116 nan 4.420 nan 0.000 0.278 772 P C -0.832 176.661 177.300 0.321 0.000 1.238 772 P CA -0.704 62.493 63.100 0.162 0.000 0.794 772 P CB 0.881 32.686 31.700 0.176 0.000 0.955 773 D N 2.682 123.253 120.400 0.285 0.000 2.525 773 D HA -0.032 4.608 4.640 0.001 0.000 0.235 773 D C 1.150 177.529 176.300 0.131 0.000 1.137 773 D CA 0.580 54.724 54.000 0.240 0.000 0.868 773 D CB -0.008 40.873 40.800 0.134 0.000 1.180 773 D HN 0.417 nan 8.370 nan 0.000 0.465 774 R N -0.357 120.177 120.500 0.057 0.000 3.994 774 R HA -0.156 4.184 4.340 0.001 0.000 0.403 774 R C 0.761 177.111 176.300 0.083 0.000 1.126 774 R CA 1.015 57.136 56.100 0.034 0.000 1.143 774 R CB -1.771 28.538 30.300 0.016 0.000 1.695 774 R HN 0.531 nan 8.270 nan 0.000 0.555 775 G N -0.216 108.679 108.800 0.158 0.000 2.420 775 G HA2 0.348 4.309 3.960 0.001 0.000 0.284 775 G HA3 0.348 4.309 3.960 0.001 0.000 0.284 775 G C -1.343 173.680 174.900 0.206 0.000 1.177 775 G CA -0.107 45.070 45.100 0.127 0.000 0.841 775 G HN 0.207 nan 8.290 nan 0.000 0.527 776 W N 3.069 124.211 121.300 -0.263 0.000 2.884 776 W HA 0.689 5.350 4.660 0.001 0.000 0.336 776 W C -2.211 174.099 176.519 -0.348 0.000 1.038 776 W CA -2.371 54.890 57.345 -0.141 0.000 1.247 776 W CB 0.940 30.358 29.460 -0.070 0.000 1.351 776 W HN 0.323 nan 8.180 nan 0.000 0.446 777 F N 4.920 124.926 119.950 0.093 0.000 2.522 777 F HA 0.766 5.293 4.527 0.000 0.000 0.324 777 F C -0.108 175.502 175.800 -0.317 0.000 1.077 777 F CA -1.333 56.573 58.000 -0.158 0.000 0.944 777 F CB 1.854 40.859 39.000 0.009 0.000 1.175 777 F HN -0.101 nan 8.300 nan 0.000 0.468 778 V N 2.257 122.029 119.914 -0.238 0.000 2.577 778 V HA 0.313 4.433 4.120 0.001 0.000 0.303 778 V C -1.667 174.313 176.094 -0.190 0.000 1.042 778 V CA -0.961 61.154 62.300 -0.309 0.000 0.872 778 V CB 1.927 33.400 31.823 -0.583 0.000 0.998 778 V HN 0.614 nan 8.190 nan 0.000 0.423 779 Y N 4.172 124.301 120.300 -0.285 0.000 2.328 779 Y HA 0.613 5.164 4.550 0.001 0.000 0.336 779 Y C -0.168 175.604 175.900 -0.214 0.000 0.960 779 Y CA -0.353 57.594 58.100 -0.254 0.000 1.134 779 Y CB 1.627 39.934 38.460 -0.254 0.000 1.166 779 Y HN 0.699 nan 8.280 nan 0.000 0.464 780 Q N 5.168 124.532 119.800 -0.728 0.000 2.342 780 Q HA 0.523 4.864 4.340 0.001 0.000 0.267 780 Q C -1.471 174.110 176.000 -0.699 0.000 1.038 780 Q CA -0.723 54.772 55.803 -0.514 0.000 0.832 780 Q CB 1.566 30.148 28.738 -0.259 0.000 1.323 780 Q HN 0.730 nan 8.270 nan 0.000 0.448 781 Q N 1.719 121.278 119.800 -0.402 0.000 2.565 781 Q HA 0.454 4.794 4.340 0.001 0.000 0.294 781 Q C -1.594 174.398 176.000 -0.013 0.000 1.005 781 Q CA -0.647 54.985 55.803 -0.286 0.000 0.771 781 Q CB 2.460 30.937 28.738 -0.434 0.000 1.486 781 Q HN 0.747 nan 8.270 nan 0.000 0.422 782 R N 0.904 121.440 120.500 0.061 0.000 2.670 782 R HA 0.467 4.807 4.340 0.001 0.000 0.289 782 R C -1.108 175.312 176.300 0.200 0.000 0.965 782 R CA -0.377 55.793 56.100 0.117 0.000 0.899 782 R CB 1.329 31.671 30.300 0.069 0.000 1.173 782 R HN 0.688 nan 8.270 nan 0.000 0.456 783 N N 1.452 120.270 118.700 0.196 0.000 2.422 783 N HA 0.059 4.799 4.740 0.001 0.000 0.266 783 N C -0.166 175.422 175.510 0.130 0.000 1.007 783 N CA -0.321 52.854 53.050 0.208 0.000 0.941 783 N CB 1.165 39.722 38.487 0.116 0.000 1.115 783 N HN 0.593 nan 8.380 nan 0.000 0.492 784 E N 2.181 122.456 120.200 0.124 0.000 2.489 784 E HA -0.015 4.335 4.350 0.001 0.000 0.193 784 E C 0.650 177.263 176.600 0.021 0.000 1.057 784 E CA 0.155 56.596 56.400 0.068 0.000 0.866 784 E CB 0.577 30.317 29.700 0.067 0.000 0.916 784 E HN 0.412 nan 8.360 nan 0.000 0.500 785 V N 0.062 119.976 119.914 -0.001 0.000 2.854 785 V HA -0.002 4.118 4.120 0.001 0.000 0.236 785 V C 0.695 176.651 176.094 -0.229 0.000 1.157 785 V CA 0.318 62.537 62.300 -0.135 0.000 1.187 785 V CB 0.148 31.838 31.823 -0.222 0.000 0.949 785 V HN 0.269 nan 8.190 nan 0.000 0.488 786 H N 1.414 120.457 119.070 -0.045 0.000 2.580 786 H HA 0.230 4.787 4.556 0.001 0.000 0.322 786 H C -0.226 175.089 175.328 -0.022 0.000 1.082 786 H CA -0.086 55.935 56.048 -0.044 0.000 1.383 786 H CB 0.801 30.521 29.762 -0.071 0.000 1.450 786 H HN 0.122 nan 8.280 nan 0.000 0.505 787 N N 3.370 122.112 118.700 0.070 0.000 2.843 787 N HA -0.025 4.715 4.740 0.001 0.000 0.284 787 N C -0.882 174.661 175.510 0.055 0.000 1.274 787 N CA -0.077 53.001 53.050 0.047 0.000 1.045 787 N CB -0.128 38.368 38.487 0.016 0.000 1.370 787 N HN 0.475 nan 8.380 nan 0.000 0.525 788 N N -0.779 117.967 118.700 0.077 0.000 2.357 788 N HA 0.366 5.107 4.740 0.001 0.000 0.284 788 N C -1.099 174.449 175.510 0.065 0.000 1.236 788 N CA -0.371 52.715 53.050 0.060 0.000 0.774 788 N CB 1.560 40.077 38.487 0.050 0.000 1.534 788 N HN 0.027 nan 8.380 nan 0.000 0.478 789 C N -0.095 119.242 119.300 0.063 0.000 2.335 789 C HA 0.908 5.369 4.460 0.001 0.000 0.363 789 C C 1.000 176.040 174.990 0.084 0.000 1.198 789 C CA -0.343 58.721 59.018 0.077 0.000 2.279 789 C CB 0.959 28.743 27.740 0.073 0.000 2.334 789 C HN 0.744 nan 8.230 nan 0.000 0.559 790 G N 0.566 109.434 108.800 0.112 0.000 2.659 790 G HA2 0.766 4.727 3.960 0.001 0.000 0.296 790 G HA3 0.766 4.727 3.960 0.001 0.000 0.296 790 G C -1.695 173.310 174.900 0.175 0.000 1.369 790 G CA -0.220 44.968 45.100 0.146 0.000 0.937 790 G HN 0.849 nan 8.290 nan 0.000 0.485 791 I N -0.196 120.490 120.570 0.194 0.000 2.842 791 I HA 0.610 4.780 4.170 0.001 0.000 0.297 791 I C -1.877 174.399 176.117 0.265 0.000 1.380 791 I CA -0.764 60.670 61.300 0.224 0.000 1.018 791 I CB 2.515 40.587 38.000 0.120 0.000 1.311 791 I HN 0.617 nan 8.210 nan 0.000 0.439 792 E N 7.207 127.594 120.200 0.311 0.000 2.246 792 E HA 0.479 4.830 4.350 0.001 0.000 0.266 792 E C -1.823 174.979 176.600 0.336 0.000 0.880 792 E CA -0.722 55.869 56.400 0.319 0.000 0.762 792 E CB 1.749 31.620 29.700 0.284 0.000 1.180 792 E HN 0.432 nan 8.360 nan 0.000 0.416 793 I N 4.318 125.103 120.570 0.358 0.000 2.404 793 I HA 0.279 4.449 4.170 0.001 0.000 0.293 793 I C -0.938 175.364 176.117 0.307 0.000 0.992 793 I CA -0.803 60.663 61.300 0.276 0.000 1.149 793 I CB 0.869 39.008 38.000 0.231 0.000 1.315 793 I HN 0.570 nan 8.210 nan 0.000 0.446 794 Y N 7.271 127.573 120.300 0.003 0.000 2.326 794 Y HA 0.437 4.987 4.550 0.000 0.000 0.331 794 Y C -1.461 174.405 175.900 -0.058 0.000 0.962 794 Y CA -1.374 56.762 58.100 0.060 0.000 1.167 794 Y CB 1.115 39.653 38.460 0.129 0.000 1.148 794 Y HN 0.384 nan 8.280 nan 0.000 0.463 795 Y N 5.229 125.493 120.300 -0.060 0.000 2.804 795 Y HA 0.262 4.813 4.550 0.001 0.000 0.330 795 Y C 0.539 176.202 175.900 -0.396 0.000 1.092 795 Y CA -0.573 57.422 58.100 -0.174 0.000 1.315 795 Y CB 0.559 38.989 38.460 -0.050 0.000 1.188 795 Y HN 0.557 nan 8.280 nan 0.000 0.512 796 Q N 1.676 121.150 119.800 -0.544 0.000 2.286 796 Q HA 0.002 4.342 4.340 0.001 0.000 0.290 796 Q C 0.803 176.863 176.000 0.100 0.000 1.049 796 Q CA 0.820 56.388 55.803 -0.391 0.000 0.923 796 Q CB 0.989 29.612 28.738 -0.193 0.000 1.183 796 Q HN 0.843 nan 8.270 nan 0.000 0.383 797 T N 0.949 115.583 114.554 0.134 0.000 3.535 797 T HA 0.256 4.607 4.350 0.001 0.000 0.223 797 T C 0.095 174.969 174.700 0.290 0.000 0.933 797 T CA 0.302 62.536 62.100 0.224 0.000 1.445 797 T CB 0.298 69.323 68.868 0.261 0.000 1.286 797 T HN 0.631 nan 8.240 nan 0.000 0.436 798 D N -1.037 119.475 120.400 0.186 0.000 2.851 798 D HA 0.297 4.937 4.640 0.001 0.000 0.339 798 D C -1.336 174.927 176.300 -0.062 0.000 1.347 798 D CA -0.775 53.314 54.000 0.148 0.000 0.888 798 D CB 1.868 42.804 40.800 0.227 0.000 1.431 798 D HN 0.402 nan 8.370 nan 0.000 0.509 799 M N 1.068 120.628 119.600 -0.066 0.000 2.252 799 M HA 0.093 4.574 4.480 0.001 0.000 0.333 799 M C 0.066 176.330 176.300 -0.060 0.000 1.111 799 M CA 0.264 55.484 55.300 -0.133 0.000 1.140 799 M CB 0.466 33.054 32.600 -0.020 0.000 1.538 799 M HN 0.147 nan 8.290 nan 0.000 0.448 800 Q N 2.199 121.951 119.800 -0.080 0.000 2.361 800 Q HA 0.254 4.594 4.340 0.001 0.000 0.276 800 Q C -0.718 175.241 176.000 -0.069 0.000 1.022 800 Q CA 0.297 56.062 55.803 -0.065 0.000 0.898 800 Q CB 0.682 29.376 28.738 -0.073 0.000 1.246 800 Q HN 0.762 nan 8.270 nan 0.000 0.410 801 S N -0.244 115.401 115.700 -0.091 0.000 2.595 801 S HA 0.196 4.667 4.470 0.001 0.000 0.270 801 S C 0.400 174.880 174.600 -0.201 0.000 1.145 801 S CA -0.608 57.516 58.200 -0.126 0.000 0.825 801 S CB 1.035 64.166 63.200 -0.115 0.000 1.107 801 S HN 0.510 nan 8.310 nan 0.000 0.461 802 T N 2.437 116.835 114.554 -0.259 0.000 2.624 802 T HA -0.182 4.168 4.350 0.001 0.000 0.268 802 T C 2.221 176.559 174.700 -0.605 0.000 1.041 802 T CA 2.761 64.631 62.100 -0.383 0.000 1.159 802 T CB -0.981 67.620 68.868 -0.445 0.000 0.863 802 T HN 1.024 nan 8.240 nan 0.000 0.434 803 S N 1.629 116.858 115.700 -0.785 0.000 2.355 803 S HA -0.113 4.357 4.470 0.001 0.000 0.222 803 S C 1.953 176.072 174.600 -0.802 0.000 1.031 803 S CA 0.863 58.478 58.200 -0.976 0.000 0.993 803 S CB -0.411 62.343 63.200 -0.743 0.000 0.859 803 S HN 0.362 nan 8.310 nan 0.000 0.453 804 E N 2.016 121.991 120.200 -0.376 0.000 2.110 804 E HA -0.072 4.278 4.350 0.001 0.000 0.193 804 E C 1.948 178.477 176.600 -0.120 0.000 0.988 804 E CA 0.981 57.307 56.400 -0.123 0.000 0.804 804 E CB -0.685 29.023 29.700 0.013 0.000 0.745 804 E HN 0.737 nan 8.360 nan 0.000 0.458 805 N N -0.010 118.601 118.700 -0.149 0.000 2.106 805 N HA -0.106 4.634 4.740 0.001 0.000 0.188 805 N C 1.703 177.173 175.510 -0.066 0.000 1.029 805 N CA 0.987 53.987 53.050 -0.083 0.000 0.848 805 N CB -0.033 38.399 38.487 -0.091 0.000 1.007 805 N HN 0.066 nan 8.380 nan 0.000 0.423 806 M N 0.081 119.615 119.600 -0.110 0.000 2.319 806 M HA 0.009 4.489 4.480 0.001 0.000 0.265 806 M C 1.581 177.903 176.300 0.036 0.000 1.068 806 M CA 1.035 56.325 55.300 -0.017 0.000 1.118 806 M CB -1.186 31.462 32.600 0.080 0.000 1.395 806 M HN 0.182 nan 8.290 nan 0.000 0.435 807 F N -0.017 119.827 119.950 -0.177 0.000 2.102 807 F HA -0.262 4.266 4.527 0.000 0.000 0.298 807 F C 2.297 177.823 175.800 -0.456 0.000 1.105 807 F CA 0.493 58.203 58.000 -0.484 0.000 1.239 807 F CB -0.269 38.092 39.000 -1.064 0.000 0.991 807 F HN 0.113 nan 8.300 nan 0.000 0.474 808 L N 0.618 121.772 121.223 -0.115 0.000 2.027 808 L HA -0.162 4.179 4.340 0.001 0.000 0.206 808 L C 2.026 179.011 176.870 0.192 0.000 1.074 808 L CA 1.849 56.773 54.840 0.140 0.000 0.745 808 L CB -0.742 41.424 42.059 0.179 0.000 0.898 808 L HN 0.046 nan 8.230 nan 0.000 0.433 809 E N -0.512 119.752 120.200 0.107 0.000 2.153 809 E HA -0.222 4.128 4.350 0.001 0.000 0.194 809 E C 2.282 178.930 176.600 0.081 0.000 0.988 809 E CA 1.267 57.718 56.400 0.085 0.000 0.811 809 E CB -0.201 29.525 29.700 0.044 0.000 0.746 809 E HN 0.533 nan 8.360 nan 0.000 0.466 810 L N 0.083 121.367 121.223 0.102 0.000 2.072 810 L HA -0.126 4.214 4.340 0.001 0.000 0.205 810 L C 2.264 179.194 176.870 0.100 0.000 1.079 810 L CA 0.853 55.739 54.840 0.075 0.000 0.752 810 L CB -0.128 41.997 42.059 0.110 0.000 0.906 810 L HN 0.144 nan 8.230 nan 0.000 0.436 811 F N 0.002 119.994 119.950 0.070 0.000 2.134 811 F HA -0.286 4.241 4.527 0.000 0.000 0.299 811 F C 2.529 178.347 175.800 0.031 0.000 1.097 811 F CA 1.869 59.927 58.000 0.097 0.000 1.264 811 F CB -0.418 38.730 39.000 0.246 0.000 1.001 811 F HN 0.126 nan 8.300 nan 0.000 0.479 812 C N 0.153 119.565 119.300 0.186 0.000 2.429 812 C HA -0.196 4.265 4.460 0.001 0.000 0.277 812 C C 2.715 177.638 174.990 -0.111 0.000 1.262 812 C CA 1.328 60.365 59.018 0.031 0.000 1.733 812 C CB -1.222 26.553 27.740 0.058 0.000 2.010 812 C HN 0.624 nan 8.230 nan 0.000 0.483 813 Q N 1.348 121.084 119.800 -0.107 0.000 2.096 813 Q HA -0.127 4.213 4.340 0.001 0.000 0.204 813 Q C 1.762 177.554 176.000 -0.347 0.000 0.982 813 Q CA 1.967 57.674 55.803 -0.160 0.000 0.850 813 Q CB -0.547 28.122 28.738 -0.114 0.000 0.901 813 Q HN 0.687 nan 8.270 nan 0.000 0.422 814 I N 0.445 120.723 120.570 -0.487 0.000 2.252 814 I HA -0.184 3.987 4.170 0.001 0.000 0.245 814 I C 2.188 178.024 176.117 -0.468 0.000 1.102 814 I CA 1.346 62.197 61.300 -0.748 0.000 1.385 814 I CB -0.406 37.251 38.000 -0.572 0.000 1.064 814 I HN 0.394 nan 8.210 nan 0.000 0.414 815 I N -3.051 117.291 120.570 -0.382 0.000 3.419 815 I HA 0.007 4.178 4.170 0.001 0.000 0.286 815 I C 2.393 178.521 176.117 0.019 0.000 1.268 815 I CA 0.433 61.647 61.300 -0.142 0.000 1.414 815 I CB -0.019 37.906 38.000 -0.124 0.000 1.074 815 I HN -0.012 nan 8.210 nan 0.000 0.457 816 S N 2.180 117.828 115.700 -0.088 0.000 2.377 816 S HA -0.319 4.151 4.470 0.001 0.000 0.224 816 S C 2.018 176.614 174.600 -0.006 0.000 1.042 816 S CA 2.537 60.693 58.200 -0.073 0.000 1.086 816 S CB -0.336 62.801 63.200 -0.105 0.000 0.995 816 S HN 0.794 nan 8.310 nan 0.000 0.428 817 E N 1.585 121.787 120.200 0.004 0.000 2.017 817 E HA -0.050 4.300 4.350 0.001 0.000 0.193 817 E C -0.622 176.050 176.600 0.120 0.000 0.997 817 E CA 2.042 58.474 56.400 0.054 0.000 0.804 817 E CB -1.553 28.175 29.700 0.047 0.000 0.757 817 E HN 0.398 nan 8.360 nan 0.000 0.448 818 P HA -0.153 nan 4.420 nan 0.000 0.217 818 P C 1.585 179.013 177.300 0.213 0.000 1.148 818 P CA 1.540 64.772 63.100 0.219 0.000 0.828 818 P CB -0.237 31.614 31.700 0.251 0.000 0.783 819 C N -1.753 117.604 119.300 0.095 0.000 2.432 819 C HA -0.146 4.314 4.460 0.001 0.000 0.277 819 C C 2.452 177.290 174.990 -0.254 0.000 1.249 819 C CA 0.492 59.231 59.018 -0.464 0.000 1.725 819 C CB -2.058 25.529 27.740 -0.256 0.000 2.028 819 C HN 0.144 nan 8.230 nan 0.000 0.477 820 F N 2.055 121.904 119.950 -0.168 0.000 2.146 820 F HA -0.054 4.473 4.527 0.001 0.000 0.298 820 F C 2.381 178.130 175.800 -0.085 0.000 1.096 820 F CA 2.164 60.093 58.000 -0.119 0.000 1.275 820 F CB -0.804 38.148 39.000 -0.080 0.000 1.008 820 F HN 0.364 nan 8.300 nan 0.000 0.480 821 N N -0.657 118.113 118.700 0.117 0.000 2.166 821 N HA -0.161 4.579 4.740 0.001 0.000 0.186 821 N C 1.504 176.983 175.510 -0.051 0.000 1.019 821 N CA 1.923 55.007 53.050 0.056 0.000 0.856 821 N CB -0.091 38.475 38.487 0.133 0.000 0.993 821 N HN 0.321 nan 8.380 nan 0.000 0.426 822 T N 1.436 115.952 114.554 -0.065 0.000 2.706 822 T HA -0.002 4.349 4.350 0.001 0.000 0.255 822 T C 1.922 176.531 174.700 -0.153 0.000 1.048 822 T CA 0.467 62.528 62.100 -0.064 0.000 1.153 822 T CB -0.244 68.644 68.868 0.034 0.000 0.865 822 T HN 0.028 nan 8.240 nan 0.000 0.414 823 L N 0.869 121.934 121.223 -0.264 0.000 2.131 823 L HA 0.070 4.411 4.340 0.001 0.000 0.210 823 L C 2.359 179.084 176.870 -0.241 0.000 1.092 823 L CA 1.591 56.280 54.840 -0.252 0.000 0.759 823 L CB -0.768 41.113 42.059 -0.297 0.000 0.903 823 L HN 0.201 nan 8.230 nan 0.000 0.435 824 R N -1.826 118.463 120.500 -0.352 0.000 2.076 824 R HA 0.003 4.344 4.340 0.001 0.000 0.203 824 R C 2.125 178.246 176.300 -0.298 0.000 1.229 824 R CA 0.986 56.846 56.100 -0.399 0.000 1.094 824 R CB -0.323 29.517 30.300 -0.767 0.000 0.991 824 R HN 0.123 nan 8.270 nan 0.000 0.471 825 T N 1.684 116.037 114.554 -0.335 0.000 2.652 825 T HA -0.119 4.231 4.350 0.001 0.000 0.267 825 T C 1.592 176.251 174.700 -0.068 0.000 1.039 825 T CA 1.783 63.799 62.100 -0.141 0.000 1.153 825 T CB -0.093 68.743 68.868 -0.054 0.000 0.863 825 T HN 0.278 nan 8.240 nan 0.000 0.428 826 K N 0.730 121.090 120.400 -0.066 0.000 2.005 826 K HA 0.036 4.357 4.320 0.001 0.000 0.206 826 K C 2.470 179.049 176.600 -0.034 0.000 1.044 826 K CA 1.055 57.323 56.287 -0.032 0.000 0.942 826 K CB -0.061 32.430 32.500 -0.016 0.000 0.727 826 K HN 0.365 nan 8.250 nan 0.000 0.439 827 E N 0.819 120.986 120.200 -0.055 0.000 2.371 827 E HA -0.055 4.295 4.350 0.001 0.000 0.194 827 E C -0.277 176.301 176.600 -0.037 0.000 1.012 827 E CA 0.046 56.422 56.400 -0.040 0.000 0.860 827 E CB 0.309 29.977 29.700 -0.054 0.000 0.811 827 E HN 0.141 nan 8.360 nan 0.000 0.502 828 Q N -0.284 119.477 119.800 -0.064 0.000 2.435 828 Q HA -0.228 4.113 4.340 0.001 0.000 0.312 828 Q C 0.906 176.887 176.000 -0.031 0.000 1.333 828 Q CA 0.507 56.280 55.803 -0.050 0.000 0.883 828 Q CB -1.997 26.730 28.738 -0.017 0.000 1.170 828 Q HN 0.452 nan 8.270 nan 0.000 0.443 829 L N -1.741 119.453 121.223 -0.049 0.000 2.093 829 L HA -0.016 4.324 4.340 0.001 0.000 0.208 829 L C 1.350 178.216 176.870 -0.007 0.000 1.085 829 L CA 1.487 56.316 54.840 -0.018 0.000 0.755 829 L CB 0.008 42.041 42.059 -0.044 0.000 0.904 829 L HN 0.481 nan 8.230 nan 0.000 0.435 830 G N -3.515 105.272 108.800 -0.022 0.000 2.466 830 G HA2 0.113 4.073 3.960 0.001 0.000 0.291 830 G HA3 0.113 4.073 3.960 0.001 0.000 0.291 830 G C -0.898 174.024 174.900 0.036 0.000 1.460 830 G CA -0.432 44.681 45.100 0.022 0.000 0.791 830 G HN -0.154 nan 8.290 nan 0.000 0.505 831 Y N 0.385 120.670 120.300 -0.025 0.000 2.293 831 Y HA 0.321 4.871 4.550 0.001 0.000 0.291 831 Y C 1.192 177.103 175.900 0.019 0.000 1.137 831 Y CA 0.969 59.075 58.100 0.010 0.000 1.202 831 Y CB 0.110 38.588 38.460 0.029 0.000 0.990 831 Y HN 0.259 nan 8.280 nan 0.000 0.537 832 I N 2.077 122.624 120.570 -0.039 0.000 2.291 832 I HA 0.249 4.419 4.170 0.001 0.000 0.290 832 I C -1.174 174.914 176.117 -0.048 0.000 1.050 832 I CA -0.533 60.694 61.300 -0.121 0.000 1.245 832 I CB 0.899 38.792 38.000 -0.179 0.000 1.405 832 I HN -0.267 nan 8.210 nan 0.000 0.478 833 V N 7.690 127.601 119.914 -0.005 0.000 2.488 833 V HA 0.418 4.538 4.120 0.001 0.000 0.293 833 V C -0.894 175.323 176.094 0.205 0.000 1.027 833 V CA -0.645 61.684 62.300 0.050 0.000 0.862 833 V CB 1.926 33.688 31.823 -0.103 0.000 1.008 833 V HN 0.486 nan 8.190 nan 0.000 0.428 834 F N 4.397 124.389 119.950 0.070 0.000 2.578 834 F HA 0.855 5.382 4.527 0.001 0.000 0.311 834 F C -0.125 175.717 175.800 0.071 0.000 1.094 834 F CA -0.079 57.965 58.000 0.073 0.000 0.923 834 F CB 2.340 41.370 39.000 0.050 0.000 1.230 834 F HN 0.511 nan 8.300 nan 0.000 0.450 835 S N 3.418 118.517 115.700 -1.001 0.000 2.588 835 S HA 1.026 5.497 4.470 0.001 0.000 0.275 835 S C -0.689 173.219 174.600 -1.155 0.000 1.130 835 S CA -0.191 57.483 58.200 -0.878 0.000 0.855 835 S CB 1.679 64.549 63.200 -0.551 0.000 1.116 835 S HN 1.828 nan 8.310 nan 0.000 0.472 836 G N 0.635 109.067 108.800 -0.614 0.000 2.337 836 G HA2 0.433 4.393 3.960 0.001 0.000 0.298 836 G HA3 0.433 4.393 3.960 0.001 0.000 0.298 836 G C -3.661 171.235 174.900 -0.007 0.000 1.335 836 G CA -0.626 44.299 45.100 -0.291 0.000 0.875 836 G HN 0.694 nan 8.290 nan 0.000 0.579 837 P HA 0.385 nan 4.420 nan 0.000 0.278 837 P C -0.824 176.581 177.300 0.175 0.000 1.238 837 P CA -0.253 62.935 63.100 0.146 0.000 0.794 837 P CB 1.532 33.305 31.700 0.121 0.000 0.955 838 R N 2.356 122.975 120.500 0.197 0.000 2.439 838 R HA 0.466 4.806 4.340 0.001 0.000 0.310 838 R C -0.816 175.551 176.300 0.111 0.000 0.955 838 R CA -0.766 55.417 56.100 0.140 0.000 0.853 838 R CB 0.941 31.302 30.300 0.102 0.000 1.171 838 R HN 0.339 nan 8.270 nan 0.000 0.449 839 R N 2.117 122.646 120.500 0.049 0.000 2.562 839 R HA 0.730 5.070 4.340 0.001 0.000 0.298 839 R C -1.467 174.823 176.300 -0.017 0.000 0.961 839 R CA -0.516 55.596 56.100 0.020 0.000 0.881 839 R CB 2.276 32.579 30.300 0.005 0.000 1.159 839 R HN 0.728 nan 8.270 nan 0.000 0.450 840 A N 2.425 125.229 122.820 -0.026 0.000 2.530 840 A HA 0.367 4.688 4.320 0.001 0.000 0.297 840 A C -1.023 176.543 177.584 -0.030 0.000 1.059 840 A CA -0.895 51.121 52.037 -0.035 0.000 0.782 840 A CB 0.763 19.732 19.000 -0.053 0.000 1.301 840 A HN 0.778 nan 8.150 nan 0.000 0.394 841 N N 1.054 119.747 118.700 -0.012 0.000 2.721 841 N HA -0.247 4.493 4.740 0.001 0.000 0.249 841 N C 1.132 176.622 175.510 -0.033 0.000 1.072 841 N CA 2.623 55.679 53.050 0.009 0.000 0.710 841 N CB -1.079 37.439 38.487 0.053 0.000 0.993 841 N HN 2.435 nan 8.380 nan 0.000 0.547 842 G N -1.897 106.866 108.800 -0.061 0.000 2.205 842 G HA2 -0.315 3.645 3.960 0.001 0.000 0.261 842 G HA3 -0.315 3.645 3.960 0.001 0.000 0.261 842 G C 0.160 174.981 174.900 -0.132 0.000 0.980 842 G CA 0.621 45.669 45.100 -0.086 0.000 0.632 842 G HN 0.420 nan 8.290 nan 0.000 0.533 843 I N 0.673 121.147 120.570 -0.161 0.000 2.947 843 I HA 0.712 4.883 4.170 0.001 0.000 0.314 843 I C 0.532 176.598 176.117 -0.084 0.000 1.028 843 I CA -0.619 60.527 61.300 -0.257 0.000 1.077 843 I CB 1.314 39.046 38.000 -0.447 0.000 1.274 843 I HN 0.644 nan 8.210 nan 0.000 0.485 844 Q N 0.925 120.710 119.800 -0.025 0.000 2.738 844 Q HA 0.743 5.084 4.340 0.001 0.000 0.301 844 Q C -1.246 174.885 176.000 0.218 0.000 0.901 844 Q CA -0.976 54.902 55.803 0.125 0.000 0.756 844 Q CB 2.485 31.272 28.738 0.081 0.000 1.463 844 Q HN 0.853 nan 8.270 nan 0.000 0.432 845 G N 0.058 109.048 108.800 0.317 0.000 2.342 845 G HA2 0.363 4.324 3.960 0.001 0.000 0.297 845 G HA3 0.363 4.324 3.960 0.001 0.000 0.297 845 G C -2.106 173.002 174.900 0.345 0.000 1.313 845 G CA -0.905 44.368 45.100 0.289 0.000 0.830 845 G HN 0.540 nan 8.290 nan 0.000 0.506 846 L N 0.555 121.958 121.223 0.300 0.000 2.334 846 L HA 0.842 5.182 4.340 0.001 0.000 0.277 846 L C 0.281 177.392 176.870 0.400 0.000 1.075 846 L CA -0.863 54.150 54.840 0.287 0.000 0.804 846 L CB 1.253 43.462 42.059 0.250 0.000 1.174 846 L HN 0.877 nan 8.230 nan 0.000 0.438 847 R N 2.553 123.186 120.500 0.221 0.000 2.740 847 R HA 0.649 4.989 4.340 0.001 0.000 0.273 847 R C -2.039 174.268 176.300 0.012 0.000 0.998 847 R CA -0.755 55.521 56.100 0.294 0.000 0.900 847 R CB 1.584 32.088 30.300 0.340 0.000 1.223 847 R HN 0.284 nan 8.270 nan 0.000 0.466 848 F N 1.521 121.673 119.950 0.338 0.000 2.556 848 F HA 0.604 5.131 4.527 0.001 0.000 0.314 848 F C -0.352 175.623 175.800 0.293 0.000 1.106 848 F CA -0.837 57.332 58.000 0.282 0.000 0.911 848 F CB 2.335 41.480 39.000 0.241 0.000 1.190 848 F HN 0.269 nan 8.300 nan 0.000 0.448 849 I N 4.668 125.528 120.570 0.483 0.000 2.499 849 I HA 0.547 4.718 4.170 0.001 0.000 0.288 849 I C -1.051 175.230 176.117 0.274 0.000 1.048 849 I CA -0.481 61.037 61.300 0.364 0.000 1.062 849 I CB 2.135 40.335 38.000 0.333 0.000 1.238 849 I HN 0.431 nan 8.210 nan 0.000 0.426 850 I N 5.155 125.846 120.570 0.202 0.000 2.722 850 I HA 0.349 4.519 4.170 0.001 0.000 0.295 850 I C -0.923 175.253 176.117 0.099 0.000 1.161 850 I CA -0.538 60.833 61.300 0.118 0.000 1.032 850 I CB 2.540 40.590 38.000 0.083 0.000 1.244 850 I HN 0.536 nan 8.210 nan 0.000 0.421 851 Q N 4.184 124.015 119.800 0.053 0.000 2.325 851 Q HA 0.708 5.048 4.340 0.001 0.000 0.270 851 Q C -1.287 174.739 176.000 0.043 0.000 1.020 851 Q CA -0.251 55.587 55.803 0.059 0.000 0.785 851 Q CB 2.113 30.875 28.738 0.039 0.000 1.259 851 Q HN 0.730 nan 8.270 nan 0.000 0.452 852 S N 1.989 117.717 115.700 0.047 0.000 2.625 852 S HA 0.183 4.653 4.470 0.001 0.000 0.271 852 S C -0.063 174.560 174.600 0.038 0.000 1.161 852 S CA -0.482 57.741 58.200 0.038 0.000 0.820 852 S CB 1.672 64.893 63.200 0.034 0.000 1.137 852 S HN 0.859 nan 8.310 nan 0.000 0.470 853 E N 0.577 120.795 120.200 0.029 0.000 2.299 853 E HA 0.073 4.423 4.350 0.001 0.000 0.193 853 E C -0.201 176.412 176.600 0.020 0.000 0.998 853 E CA 0.324 56.738 56.400 0.023 0.000 0.851 853 E CB 0.058 29.765 29.700 0.011 0.000 0.795 853 E HN 0.319 nan 8.360 nan 0.000 0.492 854 K N 2.607 123.021 120.400 0.024 0.000 2.295 854 K HA 0.181 4.501 4.320 0.001 0.000 0.270 854 K C -2.249 174.375 176.600 0.039 0.000 1.011 854 K CA -2.105 54.195 56.287 0.021 0.000 0.953 854 K CB 0.338 32.896 32.500 0.096 0.000 0.956 854 K HN 0.122 nan 8.250 nan 0.000 0.477 855 P HA 0.116 nan 4.420 nan 0.000 0.271 855 P C -2.138 175.169 177.300 0.011 0.000 1.218 855 P CA -1.462 61.675 63.100 0.061 0.000 0.780 855 P CB 0.376 32.165 31.700 0.148 0.000 0.901 856 P HA -0.241 nan 4.420 nan 0.000 0.216 856 P C 1.660 178.910 177.300 -0.084 0.000 1.157 856 P CA 1.877 64.888 63.100 -0.149 0.000 0.880 856 P CB -0.618 30.839 31.700 -0.404 0.000 0.791 857 H N -2.269 116.857 119.070 0.093 0.000 2.422 857 H HA -0.192 4.364 4.556 0.001 0.000 0.298 857 H C 2.034 177.663 175.328 0.501 0.000 1.098 857 H CA 1.386 57.609 56.048 0.292 0.000 1.315 857 H CB -1.524 28.411 29.762 0.289 0.000 1.382 857 H HN 0.212 nan 8.280 nan 0.000 0.523 858 Y N 1.401 121.594 120.300 -0.178 0.000 2.184 858 Y HA -0.055 4.495 4.550 0.001 0.000 0.290 858 Y C 2.397 178.178 175.900 -0.197 0.000 1.129 858 Y CA 0.608 58.533 58.100 -0.292 0.000 1.144 858 Y CB -0.438 37.697 38.460 -0.542 0.000 0.995 858 Y HN 0.071 nan 8.280 nan 0.000 0.513 859 L N 0.852 121.972 121.223 -0.172 0.000 2.042 859 L HA -0.227 4.113 4.340 0.001 0.000 0.210 859 L C 2.462 179.230 176.870 -0.169 0.000 1.076 859 L CA 2.210 56.934 54.840 -0.192 0.000 0.749 859 L CB -1.288 40.726 42.059 -0.075 0.000 0.893 859 L HN 0.330 nan 8.230 nan 0.000 0.432 860 E N -1.371 118.797 120.200 -0.053 0.000 2.077 860 E HA -0.218 4.133 4.350 0.001 0.000 0.193 860 E C 2.461 179.046 176.600 -0.026 0.000 0.989 860 E CA 1.387 57.803 56.400 0.025 0.000 0.800 860 E CB -0.145 29.677 29.700 0.204 0.000 0.746 860 E HN 0.372 nan 8.360 nan 0.000 0.452 861 S N -0.499 115.185 115.700 -0.027 0.000 2.359 861 S HA -0.172 4.298 4.470 0.001 0.000 0.224 861 S C 1.944 176.430 174.600 -0.191 0.000 1.035 861 S CA 1.135 59.306 58.200 -0.048 0.000 1.018 861 S CB -0.183 63.015 63.200 -0.004 0.000 0.876 861 S HN 0.188 nan 8.310 nan 0.000 0.448 862 R N 0.842 121.120 120.500 -0.370 0.000 2.081 862 R HA 0.031 4.371 4.340 0.001 0.000 0.235 862 R C 2.343 178.542 176.300 -0.169 0.000 1.131 862 R CA 1.179 57.090 56.100 -0.316 0.000 0.960 862 R CB -1.732 28.310 30.300 -0.430 0.000 0.856 862 R HN 0.429 nan 8.270 nan 0.000 0.436 863 V N 1.278 121.074 119.914 -0.197 0.000 2.407 863 V HA -0.207 3.914 4.120 0.001 0.000 0.248 863 V C 2.299 178.314 176.094 -0.133 0.000 1.055 863 V CA 1.868 64.021 62.300 -0.245 0.000 1.049 863 V CB -0.424 31.156 31.823 -0.405 0.000 0.662 863 V HN 0.210 nan 8.190 nan 0.000 0.455 864 E N 0.280 120.421 120.200 -0.098 0.000 2.106 864 E HA -0.102 4.249 4.350 0.001 0.000 0.192 864 E C 2.185 178.763 176.600 -0.036 0.000 0.984 864 E CA 1.334 57.698 56.400 -0.061 0.000 0.806 864 E CB -0.429 29.238 29.700 -0.055 0.000 0.750 864 E HN 0.542 nan 8.360 nan 0.000 0.458 865 A N -0.041 122.760 122.820 -0.032 0.000 1.898 865 A HA -0.143 4.177 4.320 0.001 0.000 0.216 865 A C 2.135 179.723 177.584 0.007 0.000 1.181 865 A CA 1.325 53.352 52.037 -0.017 0.000 0.620 865 A CB -0.928 18.053 19.000 -0.032 0.000 0.819 865 A HN 0.437 nan 8.150 nan 0.000 0.442 866 F N 0.792 120.680 119.950 -0.104 0.000 2.126 866 F HA -0.177 4.350 4.527 0.001 0.000 0.299 866 F C 1.822 177.600 175.800 -0.036 0.000 1.096 866 F CA 1.679 59.632 58.000 -0.078 0.000 1.255 866 F CB -0.349 38.591 39.000 -0.101 0.000 0.997 866 F HN 0.145 nan 8.300 nan 0.000 0.479 867 L N -0.281 120.829 121.223 -0.189 0.000 2.083 867 L HA -0.257 4.084 4.340 0.001 0.000 0.209 867 L C 2.474 179.246 176.870 -0.163 0.000 1.083 867 L CA 0.659 55.399 54.840 -0.167 0.000 0.752 867 L CB -0.666 41.417 42.059 0.041 0.000 0.899 867 L HN 0.187 nan 8.230 nan 0.000 0.433 868 I N -0.308 120.197 120.570 -0.108 0.000 2.142 868 I HA -0.243 3.927 4.170 0.001 0.000 0.240 868 I C 2.544 178.557 176.117 -0.174 0.000 1.078 868 I CA 1.692 62.938 61.300 -0.090 0.000 1.343 868 I CB -1.548 36.423 38.000 -0.048 0.000 1.046 868 I HN 0.235 nan 8.210 nan 0.000 0.405 869 T N 1.034 115.472 114.554 -0.194 0.000 2.803 869 T HA -0.170 4.181 4.350 0.001 0.000 0.269 869 T C 1.899 176.425 174.700 -0.290 0.000 1.052 869 T CA 1.168 63.152 62.100 -0.194 0.000 1.136 869 T CB -0.090 68.698 68.868 -0.134 0.000 0.864 869 T HN 0.120 nan 8.240 nan 0.000 0.467 870 M N 0.764 120.081 119.600 -0.472 0.000 2.288 870 M HA 0.071 4.552 4.480 0.001 0.000 0.266 870 M C 2.255 178.310 176.300 -0.408 0.000 1.072 870 M CA 1.004 56.005 55.300 -0.498 0.000 1.132 870 M CB -0.929 31.252 32.600 -0.698 0.000 1.386 870 M HN 0.378 nan 8.290 nan 0.000 0.432 871 E N 0.621 120.551 120.200 -0.450 0.000 2.031 871 E HA -0.252 4.098 4.350 0.001 0.000 0.193 871 E C 2.082 178.510 176.600 -0.287 0.000 0.994 871 E CA 1.500 57.593 56.400 -0.511 0.000 0.800 871 E CB 0.048 29.437 29.700 -0.519 0.000 0.752 871 E HN 0.411 nan 8.360 nan 0.000 0.447 872 K N 0.226 120.499 120.400 -0.212 0.000 2.032 872 K HA -0.157 4.163 4.320 0.001 0.000 0.209 872 K C 2.332 178.855 176.600 -0.129 0.000 1.048 872 K CA 1.558 57.761 56.287 -0.141 0.000 0.927 872 K CB -0.309 32.127 32.500 -0.108 0.000 0.712 872 K HN 0.019 nan 8.250 nan 0.000 0.441 873 S N 0.390 116.002 115.700 -0.147 0.000 2.400 873 S HA -0.114 4.356 4.470 0.001 0.000 0.232 873 S C 1.800 176.340 174.600 -0.099 0.000 1.025 873 S CA 1.309 59.442 58.200 -0.113 0.000 0.993 873 S CB -0.261 62.862 63.200 -0.127 0.000 0.808 873 S HN 0.372 nan 8.310 nan 0.000 0.478 874 I N 0.897 121.385 120.570 -0.138 0.000 2.500 874 I HA -0.029 4.141 4.170 0.001 0.000 0.252 874 I C 2.481 178.537 176.117 -0.101 0.000 1.142 874 I CA 0.692 61.928 61.300 -0.105 0.000 1.451 874 I CB -0.271 37.651 38.000 -0.130 0.000 1.093 874 I HN 0.261 nan 8.210 nan 0.000 0.430 875 E N 1.074 121.207 120.200 -0.113 0.000 2.072 875 E HA -0.192 4.158 4.350 0.001 0.000 0.191 875 E C 1.193 177.748 176.600 -0.076 0.000 0.985 875 E CA 1.224 57.565 56.400 -0.097 0.000 0.801 875 E CB -0.239 29.405 29.700 -0.092 0.000 0.750 875 E HN 0.498 nan 8.360 nan 0.000 0.452 876 D N 0.053 120.414 120.400 -0.064 0.000 2.340 876 D HA 0.015 4.655 4.640 0.001 0.000 0.220 876 D C 0.947 177.228 176.300 -0.031 0.000 1.039 876 D CA 0.089 54.062 54.000 -0.045 0.000 0.866 876 D CB -0.121 40.656 40.800 -0.039 0.000 0.913 876 D HN 0.126 nan 8.370 nan 0.000 0.523 877 M N 1.859 121.441 119.600 -0.030 0.000 2.239 877 M HA 0.017 4.497 4.480 0.001 0.000 0.348 877 M C 0.292 176.595 176.300 0.005 0.000 1.239 877 M CA 0.122 55.425 55.300 0.005 0.000 1.114 877 M CB 0.612 33.236 32.600 0.041 0.000 1.641 877 M HN -0.022 nan 8.290 nan 0.000 0.453 878 T N 0.674 115.242 114.554 0.023 0.000 2.904 878 T HA 0.152 4.502 4.350 0.001 0.000 0.290 878 T C 0.746 175.483 174.700 0.060 0.000 1.018 878 T CA -0.647 61.465 62.100 0.021 0.000 1.075 878 T CB 1.335 70.212 68.868 0.015 0.000 0.986 878 T HN 0.806 nan 8.240 nan 0.000 0.523 879 E N 0.794 121.023 120.200 0.049 0.000 2.085 879 E HA -0.221 4.129 4.350 0.001 0.000 0.194 879 E C 1.960 178.635 176.600 0.124 0.000 0.994 879 E CA 2.046 58.507 56.400 0.101 0.000 0.801 879 E CB -0.350 29.384 29.700 0.056 0.000 0.743 879 E HN 0.915 nan 8.360 nan 0.000 0.453 880 E N -0.568 119.666 120.200 0.057 0.000 2.085 880 E HA -0.228 4.122 4.350 0.001 0.000 0.194 880 E C 1.928 178.517 176.600 -0.019 0.000 0.994 880 E CA 1.239 57.650 56.400 0.019 0.000 0.801 880 E CB -0.287 29.416 29.700 0.006 0.000 0.743 880 E HN 0.331 nan 8.360 nan 0.000 0.453 881 A N 0.537 123.351 122.820 -0.009 0.000 1.898 881 A HA -0.151 4.169 4.320 0.001 0.000 0.216 881 A C 1.999 179.546 177.584 -0.062 0.000 1.181 881 A CA 1.241 53.230 52.037 -0.079 0.000 0.620 881 A CB -0.872 18.114 19.000 -0.024 0.000 0.819 881 A HN 0.517 nan 8.150 nan 0.000 0.442 882 F N 0.506 120.426 119.950 -0.050 0.000 2.102 882 F HA -0.189 4.338 4.527 0.000 0.000 0.298 882 F C 2.313 178.105 175.800 -0.013 0.000 1.105 882 F CA 2.289 60.299 58.000 0.015 0.000 1.239 882 F CB -0.419 38.588 39.000 0.012 0.000 0.991 882 F HN 0.252 nan 8.300 nan 0.000 0.474 883 Q N 0.765 120.518 119.800 -0.078 0.000 2.291 883 Q HA -0.148 4.193 4.340 0.001 0.000 0.206 883 Q C 2.086 177.947 176.000 -0.230 0.000 0.976 883 Q CA 1.476 57.175 55.803 -0.173 0.000 0.875 883 Q CB -0.239 28.487 28.738 -0.021 0.000 0.927 883 Q HN 0.411 nan 8.270 nan 0.000 0.450 884 K N -1.113 119.127 120.400 -0.267 0.000 2.057 884 K HA -0.146 4.174 4.320 0.001 0.000 0.206 884 K C 1.963 178.321 176.600 -0.402 0.000 1.050 884 K CA 1.227 57.293 56.287 -0.368 0.000 0.935 884 K CB -0.131 32.064 32.500 -0.509 0.000 0.715 884 K HN 0.378 nan 8.250 nan 0.000 0.439 885 H N 0.734 119.619 119.070 -0.309 0.000 2.357 885 H HA -0.068 4.488 4.556 0.000 0.000 0.301 885 H C 2.205 177.357 175.328 -0.293 0.000 1.082 885 H CA 1.018 56.888 56.048 -0.296 0.000 1.342 885 H CB -0.098 29.492 29.762 -0.288 0.000 1.389 885 H HN 0.109 nan 8.280 nan 0.000 0.511 886 I N 0.936 121.343 120.570 -0.272 0.000 2.118 886 I HA -0.293 3.877 4.170 0.001 0.000 0.241 886 I C 2.580 178.610 176.117 -0.145 0.000 1.070 886 I CA 1.442 62.592 61.300 -0.250 0.000 1.327 886 I CB -0.834 36.977 38.000 -0.315 0.000 1.034 886 I HN 0.236 nan 8.210 nan 0.000 0.405 887 Q N 1.032 120.744 119.800 -0.146 0.000 2.124 887 Q HA -0.098 4.242 4.340 0.001 0.000 0.202 887 Q C 2.193 178.144 176.000 -0.082 0.000 0.977 887 Q CA 2.176 57.922 55.803 -0.096 0.000 0.850 887 Q CB -0.324 28.359 28.738 -0.091 0.000 0.901 887 Q HN 0.468 nan 8.270 nan 0.000 0.429 888 A N 0.317 123.066 122.820 -0.119 0.000 1.877 888 A HA -0.152 4.168 4.320 0.001 0.000 0.216 888 A C 2.148 179.704 177.584 -0.048 0.000 1.186 888 A CA 1.394 53.374 52.037 -0.096 0.000 0.620 888 A CB -0.910 18.015 19.000 -0.125 0.000 0.822 888 A HN 0.492 nan 8.150 nan 0.000 0.443 889 L N -0.782 120.412 121.223 -0.047 0.000 2.017 889 L HA -0.192 4.149 4.340 0.001 0.000 0.208 889 L C 3.002 179.862 176.870 -0.016 0.000 1.073 889 L CA 1.363 56.186 54.840 -0.029 0.000 0.745 889 L CB -0.506 41.532 42.059 -0.035 0.000 0.894 889 L HN 0.453 nan 8.230 nan 0.000 0.432 890 A N 0.464 123.270 122.820 -0.024 0.000 1.859 890 A HA -0.287 4.033 4.320 0.001 0.000 0.217 890 A C 2.069 179.659 177.584 0.009 0.000 1.198 890 A CA 2.254 54.287 52.037 -0.007 0.000 0.629 890 A CB -0.936 18.055 19.000 -0.014 0.000 0.830 890 A HN 0.481 nan 8.150 nan 0.000 0.446 891 I N -1.352 119.224 120.570 0.010 0.000 2.208 891 I HA -0.274 3.896 4.170 0.001 0.000 0.245 891 I C 2.702 178.840 176.117 0.034 0.000 1.097 891 I CA 1.838 63.156 61.300 0.031 0.000 1.363 891 I CB -0.291 37.728 38.000 0.032 0.000 1.051 891 I HN 0.301 nan 8.210 nan 0.000 0.413 892 R N 0.831 121.344 120.500 0.021 0.000 2.083 892 R HA -0.122 4.218 4.340 0.001 0.000 0.237 892 R C 2.408 178.723 176.300 0.025 0.000 1.137 892 R CA 1.432 57.546 56.100 0.024 0.000 0.951 892 R CB -0.107 30.201 30.300 0.013 0.000 0.851 892 R HN 0.114 nan 8.270 nan 0.000 0.434 893 R N -0.000 120.512 120.500 0.020 0.000 2.115 893 R HA 0.015 4.355 4.340 0.001 0.000 0.226 893 R C 1.983 178.300 176.300 0.027 0.000 1.100 893 R CA 0.962 57.074 56.100 0.019 0.000 0.980 893 R CB -0.317 29.991 30.300 0.014 0.000 0.875 893 R HN 0.335 nan 8.270 nan 0.000 0.445 894 L N 0.806 122.049 121.223 0.033 0.000 2.558 894 L HA 0.053 4.393 4.340 0.001 0.000 0.225 894 L C 0.320 177.218 176.870 0.046 0.000 1.128 894 L CA -0.240 54.625 54.840 0.042 0.000 0.868 894 L CB -0.213 41.873 42.059 0.044 0.000 1.006 894 L HN -0.050 nan 8.230 nan 0.000 0.454 895 D N 2.519 122.946 120.400 0.045 0.000 2.479 895 D HA -0.051 4.589 4.640 0.001 0.000 0.257 895 D C 0.161 176.487 176.300 0.043 0.000 1.230 895 D CA 0.516 54.545 54.000 0.049 0.000 0.912 895 D CB 0.467 41.296 40.800 0.048 0.000 1.130 895 D HN 0.037 nan 8.370 nan 0.000 0.515 896 K N 5.208 125.635 120.400 0.044 0.000 2.295 896 K HA 0.204 4.524 4.320 0.001 0.000 0.270 896 K C -1.950 174.684 176.600 0.057 0.000 1.011 896 K CA -1.368 54.947 56.287 0.046 0.000 0.953 896 K CB 0.376 32.898 32.500 0.038 0.000 0.956 896 K HN 0.452 nan 8.250 nan 0.000 0.477 897 P HA 0.028 nan 4.420 nan 0.000 0.271 897 P C -0.398 177.003 177.300 0.170 0.000 1.216 897 P CA -0.171 62.981 63.100 0.087 0.000 0.776 897 P CB 0.792 32.542 31.700 0.083 0.000 0.881 898 K N 1.803 122.239 120.400 0.060 0.000 2.361 898 K HA 0.052 4.372 4.320 0.001 0.000 0.196 898 K C 0.983 177.484 176.600 -0.165 0.000 1.039 898 K CA 0.958 57.278 56.287 0.055 0.000 1.001 898 K CB 0.080 32.556 32.500 -0.040 0.000 0.795 898 K HN 0.609 nan 8.250 nan 0.000 0.495 899 K N -0.738 119.380 120.400 -0.470 0.000 2.480 899 K HA 0.271 4.591 4.320 0.001 0.000 0.258 899 K C 0.620 176.541 176.600 -1.132 0.000 0.990 899 K CA -0.804 54.864 56.287 -1.032 0.000 0.857 899 K CB 1.341 33.527 32.500 -0.524 0.000 1.384 899 K HN -0.231 nan 8.250 nan 0.000 0.446 900 L N 1.848 122.351 121.223 -1.200 0.000 1.990 900 L HA -0.253 4.087 4.340 0.001 0.000 0.213 900 L C 2.389 179.093 176.870 -0.277 0.000 1.072 900 L CA 2.861 57.371 54.840 -0.550 0.000 0.755 900 L CB -0.734 41.077 42.059 -0.413 0.000 0.889 900 L HN 0.978 nan 8.230 nan 0.000 0.432 901 S N -0.628 114.911 115.700 -0.269 0.000 2.400 901 S HA -0.202 4.268 4.470 0.001 0.000 0.232 901 S C 2.078 176.608 174.600 -0.116 0.000 1.025 901 S CA 1.089 59.191 58.200 -0.163 0.000 0.993 901 S CB -1.066 62.041 63.200 -0.156 0.000 0.808 901 S HN 0.560 nan 8.310 nan 0.000 0.478 902 A N 1.483 124.217 122.820 -0.142 0.000 1.897 902 A HA -0.008 4.312 4.320 0.001 0.000 0.215 902 A C 2.220 179.753 177.584 -0.086 0.000 1.181 902 A CA 1.375 53.355 52.037 -0.094 0.000 0.620 902 A CB -0.741 18.204 19.000 -0.092 0.000 0.821 902 A HN 0.674 nan 8.150 nan 0.000 0.443 903 E N -0.725 119.435 120.200 -0.068 0.000 2.106 903 E HA -0.191 4.159 4.350 0.001 0.000 0.192 903 E C 2.063 178.471 176.600 -0.321 0.000 0.984 903 E CA 1.183 57.491 56.400 -0.154 0.000 0.806 903 E CB -0.241 29.520 29.700 0.103 0.000 0.750 903 E HN 0.610 nan 8.360 nan 0.000 0.458 904 C N 0.408 119.704 119.300 -0.006 0.000 2.429 904 C HA -0.039 4.421 4.460 0.001 0.000 0.277 904 C C 2.886 177.928 174.990 0.086 0.000 1.262 904 C CA 1.328 60.431 59.018 0.142 0.000 1.733 904 C CB -1.083 26.749 27.740 0.153 0.000 2.010 904 C HN 0.573 nan 8.230 nan 0.000 0.483 905 A N 0.198 123.038 122.820 0.032 0.000 1.940 905 A HA -0.198 4.122 4.320 0.001 0.000 0.219 905 A C 2.207 179.848 177.584 0.094 0.000 1.176 905 A CA 1.938 54.032 52.037 0.096 0.000 0.631 905 A CB -0.562 18.459 19.000 0.035 0.000 0.814 905 A HN 0.783 nan 8.150 nan 0.000 0.446 906 K N -1.310 119.063 120.400 -0.044 0.000 2.025 906 K HA -0.123 4.198 4.320 0.001 0.000 0.207 906 K C 1.892 178.545 176.600 0.089 0.000 1.049 906 K CA 1.776 58.032 56.287 -0.051 0.000 0.933 906 K CB -0.399 31.996 32.500 -0.174 0.000 0.714 906 K HN 0.726 nan 8.250 nan 0.000 0.438 907 Y N -0.442 119.938 120.300 0.132 0.000 2.181 907 Y HA -0.268 4.282 4.550 0.001 0.000 0.288 907 Y C 2.378 178.416 175.900 0.230 0.000 1.146 907 Y CA 0.306 58.512 58.100 0.177 0.000 1.164 907 Y CB -0.213 38.230 38.460 -0.028 0.000 0.982 907 Y HN 0.329 nan 8.280 nan 0.000 0.515 908 W N 1.321 122.711 121.300 0.150 0.000 2.342 908 W HA -0.188 4.473 4.660 0.000 0.000 0.297 908 W C 2.096 178.612 176.519 -0.005 0.000 1.213 908 W CA 1.312 58.699 57.345 0.070 0.000 1.251 908 W CB -0.376 29.124 29.460 0.066 0.000 1.136 908 W HN 0.151 nan 8.180 nan 0.000 0.526 909 G N 0.390 109.219 108.800 0.048 0.000 2.422 909 G HA2 -0.287 3.673 3.960 0.001 0.000 0.218 909 G HA3 -0.287 3.673 3.960 0.001 0.000 0.218 909 G C 1.294 176.051 174.900 -0.239 0.000 1.146 909 G CA 0.914 45.945 45.100 -0.115 0.000 0.769 909 G HN 0.210 nan 8.290 nan 0.000 0.547 910 E N 0.281 120.356 120.200 -0.209 0.000 2.152 910 E HA 0.003 4.353 4.350 0.001 0.000 0.192 910 E C 2.545 178.715 176.600 -0.717 0.000 0.983 910 E CA 0.363 56.511 56.400 -0.421 0.000 0.818 910 E CB -0.027 29.408 29.700 -0.441 0.000 0.758 910 E HN 0.532 nan 8.360 nan 0.000 0.467 911 I N 0.712 120.931 120.570 -0.586 0.000 2.277 911 I HA -0.182 3.989 4.170 0.001 0.000 0.243 911 I C 2.195 177.906 176.117 -0.676 0.000 1.094 911 I CA 0.454 61.325 61.300 -0.715 0.000 1.393 911 I CB -0.112 37.633 38.000 -0.426 0.000 1.078 911 I HN 0.024 nan 8.210 nan 0.000 0.417 912 I N 1.020 121.156 120.570 -0.723 0.000 2.286 912 I HA -0.244 3.927 4.170 0.001 0.000 0.248 912 I C 2.722 178.639 176.117 -0.334 0.000 1.115 912 I CA 1.895 62.859 61.300 -0.560 0.000 1.392 912 I CB -1.242 36.369 38.000 -0.648 0.000 1.065 912 I HN 0.327 nan 8.210 nan 0.000 0.418 913 S N -0.005 115.470 115.700 -0.374 0.000 2.496 913 S HA -0.074 4.397 4.470 0.001 0.000 0.224 913 S C 1.015 175.410 174.600 -0.341 0.000 0.996 913 S CA 0.064 58.096 58.200 -0.280 0.000 0.927 913 S CB -0.107 62.941 63.200 -0.254 0.000 0.774 913 S HN 0.553 nan 8.310 nan 0.000 0.524 914 Q N -0.409 119.038 119.800 -0.588 0.000 2.506 914 Q HA -0.226 4.114 4.340 0.001 0.000 0.268 914 Q C 0.614 176.231 176.000 -0.638 0.000 1.002 914 Q CA 1.052 56.401 55.803 -0.758 0.000 1.052 914 Q CB -1.904 26.696 28.738 -0.231 0.000 1.383 914 Q HN 0.745 nan 8.270 nan 0.000 0.537 915 Q N -1.109 118.294 119.800 -0.662 0.000 2.391 915 Q HA 0.031 4.371 4.340 0.001 0.000 0.211 915 Q C -0.408 175.405 176.000 -0.311 0.000 0.908 915 Q CA 0.272 55.875 55.803 -0.333 0.000 0.920 915 Q CB 0.454 29.031 28.738 -0.269 0.000 1.056 915 Q HN 0.529 nan 8.270 nan 0.000 0.523 916 Y N 0.629 120.622 120.300 -0.511 0.000 3.152 916 Y HA -0.255 4.295 4.550 0.001 0.000 0.212 916 Y C 0.139 175.418 175.900 -1.034 0.000 1.198 916 Y CA 0.264 57.794 58.100 -0.951 0.000 1.220 916 Y CB -1.964 36.079 38.460 -0.695 0.000 1.326 916 Y HN 0.141 nan 8.280 nan 0.000 0.562 917 N N 0.703 118.942 118.700 -0.770 0.000 3.105 917 N HA 0.178 4.918 4.740 0.001 0.000 0.256 917 N C 0.433 175.557 175.510 -0.643 0.000 1.174 917 N CA -0.392 52.167 53.050 -0.818 0.000 1.030 917 N CB -0.300 37.823 38.487 -0.607 0.000 1.305 917 N HN 0.173 nan 8.380 nan 0.000 0.509 918 F N -0.099 119.555 119.950 -0.493 0.000 2.333 918 F HA -0.018 4.510 4.527 0.000 0.000 0.300 918 F C 1.789 177.063 175.800 -0.876 0.000 1.083 918 F CA 0.547 58.159 58.000 -0.647 0.000 1.395 918 F CB -0.044 38.444 39.000 -0.854 0.000 1.056 918 F HN 0.325 nan 8.300 nan 0.000 0.529 919 D N -0.478 119.616 120.400 -0.511 0.000 2.388 919 D HA 0.035 4.676 4.640 0.001 0.000 0.221 919 D C 2.114 178.326 176.300 -0.146 0.000 1.133 919 D CA -0.059 53.779 54.000 -0.269 0.000 0.831 919 D CB -0.108 40.665 40.800 -0.045 0.000 0.962 919 D HN 0.047 nan 8.370 nan 0.000 0.502 920 R N 0.430 120.809 120.500 -0.203 0.000 2.115 920 R HA -0.194 4.147 4.340 0.001 0.000 0.239 920 R C 0.941 177.205 176.300 -0.060 0.000 1.133 920 R CA 2.027 58.039 56.100 -0.147 0.000 0.935 920 R CB -0.087 30.116 30.300 -0.161 0.000 0.853 920 R HN 0.113 nan 8.270 nan 0.000 0.433 921 D N 0.035 120.418 120.400 -0.028 0.000 2.133 921 D HA -0.192 4.449 4.640 0.001 0.000 0.192 921 D C 1.663 177.978 176.300 0.026 0.000 1.001 921 D CA 1.867 55.872 54.000 0.008 0.000 0.844 921 D CB -0.623 40.196 40.800 0.032 0.000 0.944 921 D HN 0.496 nan 8.370 nan 0.000 0.447 922 N N -0.457 118.270 118.700 0.044 0.000 2.106 922 N HA -0.097 4.643 4.740 0.001 0.000 0.188 922 N C 1.784 177.322 175.510 0.046 0.000 1.029 922 N CA 1.468 54.552 53.050 0.056 0.000 0.848 922 N CB -0.044 38.493 38.487 0.083 0.000 1.007 922 N HN 0.074 nan 8.380 nan 0.000 0.423 923 T N 1.092 115.664 114.554 0.031 0.000 2.643 923 T HA -0.133 4.217 4.350 0.001 0.000 0.264 923 T C 1.573 176.299 174.700 0.044 0.000 1.045 923 T CA 1.216 63.335 62.100 0.032 0.000 1.155 923 T CB -0.317 68.553 68.868 0.004 0.000 0.863 923 T HN 0.304 nan 8.240 nan 0.000 0.420 924 E N 0.393 120.603 120.200 0.017 0.000 2.110 924 E HA -0.075 4.276 4.350 0.001 0.000 0.193 924 E C 2.364 179.011 176.600 0.079 0.000 0.988 924 E CA 0.803 57.224 56.400 0.035 0.000 0.804 924 E CB -0.205 29.488 29.700 -0.012 0.000 0.745 924 E HN 0.226 nan 8.360 nan 0.000 0.458 925 V N 1.331 121.275 119.914 0.049 0.000 2.427 925 V HA -0.237 3.883 4.120 0.001 0.000 0.248 925 V C 2.298 178.418 176.094 0.043 0.000 1.051 925 V CA 1.699 64.023 62.300 0.039 0.000 1.048 925 V CB -0.578 31.262 31.823 0.028 0.000 0.666 925 V HN 0.303 nan 8.190 nan 0.000 0.456 926 A N -0.789 122.066 122.820 0.059 0.000 1.902 926 A HA -0.274 4.047 4.320 0.001 0.000 0.217 926 A C 2.162 179.784 177.584 0.063 0.000 1.181 926 A CA 2.110 54.180 52.037 0.055 0.000 0.623 926 A CB -0.741 18.298 19.000 0.065 0.000 0.818 926 A HN 0.646 nan 8.150 nan 0.000 0.443 927 Y N 0.152 120.438 120.300 -0.023 0.000 2.200 927 Y HA -0.123 4.427 4.550 0.000 0.000 0.290 927 Y C 2.051 177.931 175.900 -0.033 0.000 1.137 927 Y CA 1.463 59.540 58.100 -0.037 0.000 1.163 927 Y CB -0.125 38.290 38.460 -0.074 0.000 0.988 927 Y HN 0.247 nan 8.280 nan 0.000 0.518 928 L N 1.128 122.350 121.223 -0.001 0.000 2.043 928 L HA -0.261 4.079 4.340 0.001 0.000 0.212 928 L C 1.562 178.366 176.870 -0.111 0.000 1.075 928 L CA 2.178 56.983 54.840 -0.058 0.000 0.752 928 L CB -0.815 41.248 42.059 0.007 0.000 0.891 928 L HN 0.344 nan 8.230 nan 0.000 0.432 929 K N -0.913 119.437 120.400 -0.084 0.000 2.555 929 K HA -0.053 4.267 4.320 0.001 0.000 0.193 929 K C 1.624 178.179 176.600 -0.074 0.000 1.032 929 K CA 1.089 57.337 56.287 -0.066 0.000 1.004 929 K CB 0.045 32.523 32.500 -0.036 0.000 0.804 929 K HN 0.381 nan 8.250 nan 0.000 0.496 930 T N 0.737 115.194 114.554 -0.163 0.000 3.044 930 T HA 0.081 4.431 4.350 0.001 0.000 0.255 930 T C 0.262 174.884 174.700 -0.130 0.000 1.073 930 T CA -0.011 61.986 62.100 -0.173 0.000 1.125 930 T CB 0.134 68.821 68.868 -0.302 0.000 0.908 930 T HN -0.068 nan 8.240 nan 0.000 0.480 931 L N 3.278 124.420 121.223 -0.136 0.000 2.490 931 L HA 0.226 4.566 4.340 0.001 0.000 0.274 931 L C 1.182 178.183 176.870 0.219 0.000 1.201 931 L CA 0.295 55.168 54.840 0.054 0.000 0.869 931 L CB -0.013 42.133 42.059 0.145 0.000 1.123 931 L HN 0.225 nan 8.230 nan 0.000 0.484 932 T N -1.016 113.641 114.554 0.172 0.000 2.936 932 T HA 0.329 4.680 4.350 0.001 0.000 0.282 932 T C 0.918 175.523 174.700 -0.158 0.000 1.003 932 T CA -0.813 61.331 62.100 0.073 0.000 1.005 932 T CB 1.095 69.951 68.868 -0.019 0.000 1.097 932 T HN 0.581 nan 8.240 nan 0.000 0.532 933 K N -0.124 119.832 120.400 -0.740 0.000 2.211 933 K HA -0.098 4.222 4.320 0.001 0.000 0.203 933 K C 2.089 178.483 176.600 -0.342 0.000 1.050 933 K CA 1.222 56.926 56.287 -0.971 0.000 0.945 933 K CB -0.069 31.792 32.500 -1.065 0.000 0.732 933 K HN 0.817 nan 8.250 nan 0.000 0.451 934 E N 0.517 120.584 120.200 -0.221 0.000 2.106 934 E HA -0.188 4.162 4.350 0.001 0.000 0.192 934 E C 1.101 177.661 176.600 -0.067 0.000 0.984 934 E CA 1.204 57.535 56.400 -0.115 0.000 0.806 934 E CB 0.168 29.818 29.700 -0.083 0.000 0.750 934 E HN 0.309 nan 8.360 nan 0.000 0.458 935 D N 0.796 121.170 120.400 -0.045 0.000 2.097 935 D HA -0.167 4.474 4.640 0.001 0.000 0.195 935 D C 2.019 178.255 176.300 -0.106 0.000 0.989 935 D CA 0.799 54.765 54.000 -0.057 0.000 0.827 935 D CB -0.075 40.758 40.800 0.056 0.000 0.966 935 D HN 0.259 nan 8.370 nan 0.000 0.456 936 I N 1.580 122.160 120.570 0.016 0.000 2.226 936 I HA -0.215 3.956 4.170 0.001 0.000 0.245 936 I C 2.487 178.702 176.117 0.164 0.000 1.100 936 I CA 0.709 62.096 61.300 0.145 0.000 1.374 936 I CB -0.838 37.329 38.000 0.278 0.000 1.057 936 I HN 0.021 nan 8.210 nan 0.000 0.413 937 I N 0.954 121.563 120.570 0.064 0.000 2.127 937 I HA -0.303 3.867 4.170 0.001 0.000 0.241 937 I C 2.553 178.712 176.117 0.069 0.000 1.075 937 I CA 1.412 62.745 61.300 0.054 0.000 1.334 937 I CB -1.245 36.743 38.000 -0.021 0.000 1.040 937 I HN 0.214 nan 8.210 nan 0.000 0.405 938 K N 1.401 121.806 120.400 0.008 0.000 2.044 938 K HA -0.263 4.057 4.320 0.001 0.000 0.210 938 K C 2.199 178.778 176.600 -0.035 0.000 1.049 938 K CA 1.708 57.982 56.287 -0.021 0.000 0.927 938 K CB -0.932 31.541 32.500 -0.045 0.000 0.713 938 K HN 0.147 nan 8.250 nan 0.000 0.443 939 F N 0.284 120.095 119.950 -0.232 0.000 2.091 939 F HA -0.235 4.292 4.527 0.001 0.000 0.299 939 F C 2.156 177.827 175.800 -0.214 0.000 1.103 939 F CA 1.993 59.819 58.000 -0.290 0.000 1.228 939 F CB -0.937 37.800 39.000 -0.438 0.000 0.984 939 F HN 0.275 nan 8.300 nan 0.000 0.477 940 Y N 1.064 121.136 120.300 -0.380 0.000 2.293 940 Y HA -0.121 4.430 4.550 0.000 0.000 0.291 940 Y C 2.180 177.849 175.900 -0.385 0.000 1.137 940 Y CA 1.928 59.724 58.100 -0.508 0.000 1.202 940 Y CB -0.482 37.840 38.460 -0.229 0.000 0.990 940 Y HN 0.041 nan 8.280 nan 0.000 0.537 941 K N -0.096 120.206 120.400 -0.164 0.000 2.296 941 K HA -0.126 4.194 4.320 0.001 0.000 0.200 941 K C 1.906 178.340 176.600 -0.277 0.000 1.048 941 K CA 1.269 57.439 56.287 -0.195 0.000 0.966 941 K CB 0.026 32.507 32.500 -0.032 0.000 0.754 941 K HN 0.446 nan 8.250 nan 0.000 0.466 942 E N -0.374 119.650 120.200 -0.294 0.000 2.307 942 E HA -0.001 4.349 4.350 0.001 0.000 0.195 942 E C 1.456 177.845 176.600 -0.352 0.000 0.975 942 E CA 0.381 56.627 56.400 -0.256 0.000 0.878 942 E CB 0.487 30.093 29.700 -0.157 0.000 0.845 942 E HN 0.102 nan 8.360 nan 0.000 0.488 943 M N -0.546 118.729 119.600 -0.542 0.000 2.669 943 M HA 0.154 4.634 4.480 0.001 0.000 0.248 943 M C 1.907 177.833 176.300 -0.622 0.000 1.382 943 M CA 0.458 55.410 55.300 -0.581 0.000 1.158 943 M CB -0.025 32.150 32.600 -0.709 0.000 1.371 943 M HN 0.080 nan 8.290 nan 0.000 0.540 944 L N 0.116 120.837 121.223 -0.836 0.000 2.388 944 L HA 0.376 4.716 4.340 0.001 0.000 0.209 944 L C 1.328 177.633 176.870 -0.942 0.000 1.061 944 L CA -0.133 54.178 54.840 -0.883 0.000 0.834 944 L CB -0.551 40.921 42.059 -0.978 0.000 1.029 944 L HN 0.102 nan 8.230 nan 0.000 0.473 945 A N 0.488 122.577 122.820 -1.219 0.000 2.586 945 A HA 0.063 4.384 4.320 0.001 0.000 0.231 945 A C 1.461 178.773 177.584 -0.454 0.000 1.055 945 A CA -0.018 51.468 52.037 -0.918 0.000 0.756 945 A CB 0.314 18.901 19.000 -0.688 0.000 0.988 945 A HN 0.036 nan 8.150 nan 0.000 0.509 946 V N 1.365 121.108 119.914 -0.285 0.000 2.568 946 V HA -0.175 3.946 4.120 0.001 0.000 0.253 946 V C 1.271 177.273 176.094 -0.154 0.000 1.072 946 V CA 2.367 64.556 62.300 -0.185 0.000 1.084 946 V CB -0.636 31.116 31.823 -0.120 0.000 0.676 946 V HN 0.847 nan 8.190 nan 0.000 0.469 947 D N -0.026 120.282 120.400 -0.154 0.000 2.340 947 D HA 0.250 4.891 4.640 0.001 0.000 0.217 947 D C 0.908 177.121 176.300 -0.146 0.000 1.081 947 D CA 0.453 54.383 54.000 -0.118 0.000 0.842 947 D CB 0.227 40.977 40.800 -0.083 0.000 0.934 947 D HN 0.439 nan 8.370 nan 0.000 0.511 948 A N 2.713 125.402 122.820 -0.218 0.000 2.546 948 A HA 0.111 4.432 4.320 0.001 0.000 0.243 948 A C -0.908 176.566 177.584 -0.183 0.000 1.063 948 A CA -0.620 51.269 52.037 -0.245 0.000 0.757 948 A CB 0.471 19.255 19.000 -0.361 0.000 0.991 948 A HN -0.015 nan 8.150 nan 0.000 0.503 949 P HA -0.075 nan 4.420 nan 0.000 0.225 949 P C 0.522 177.754 177.300 -0.114 0.000 1.156 949 P CA 1.039 64.078 63.100 -0.102 0.000 0.787 949 P CB 0.264 31.920 31.700 -0.073 0.000 0.802 950 R N -0.180 120.203 120.500 -0.194 0.000 2.767 950 R HA 0.245 4.586 4.340 0.001 0.000 0.377 950 R C 0.599 176.491 176.300 -0.680 0.000 1.151 950 R CA -0.489 55.435 56.100 -0.294 0.000 1.046 950 R CB 0.416 30.609 30.300 -0.179 0.000 1.404 950 R HN 0.091 nan 8.270 nan 0.000 0.580 951 R N 0.938 121.177 120.500 -0.434 0.000 2.442 951 R HA 0.066 4.406 4.340 0.001 0.000 0.291 951 R C -0.781 175.338 176.300 -0.301 0.000 1.069 951 R CA 0.229 56.105 56.100 -0.375 0.000 1.022 951 R CB 0.368 30.555 30.300 -0.188 0.000 0.976 951 R HN 0.312 nan 8.270 nan 0.000 0.443 952 H N 3.158 122.262 119.070 0.057 0.000 2.791 952 H HA 0.205 4.762 4.556 0.000 0.000 0.272 952 H C -0.777 174.598 175.328 0.078 0.000 1.188 952 H CA -0.717 55.391 56.048 0.100 0.000 1.436 952 H CB 1.086 30.895 29.762 0.079 0.000 1.467 952 H HN 0.278 nan 8.280 nan 0.000 0.500 953 K N 2.932 123.474 120.400 0.237 0.000 2.244 953 K HA 0.583 4.904 4.320 0.001 0.000 0.260 953 K C -1.345 175.501 176.600 0.410 0.000 0.951 953 K CA -0.749 55.608 56.287 0.117 0.000 0.826 953 K CB 1.383 33.805 32.500 -0.129 0.000 1.108 953 K HN 0.268 nan 8.250 nan 0.000 0.433 954 V N 2.650 122.755 119.914 0.318 0.000 2.638 954 V HA 0.373 4.493 4.120 0.001 0.000 0.306 954 V C -0.949 175.360 176.094 0.358 0.000 1.052 954 V CA -0.793 61.759 62.300 0.420 0.000 0.885 954 V CB 2.011 34.057 31.823 0.373 0.000 0.999 954 V HN 0.833 nan 8.190 nan 0.000 0.424 955 S N 2.999 118.928 115.700 0.381 0.000 2.500 955 S HA 0.733 5.203 4.470 0.001 0.000 0.301 955 S C -0.631 174.108 174.600 0.232 0.000 1.092 955 S CA -0.619 57.804 58.200 0.372 0.000 1.030 955 S CB 2.052 65.610 63.200 0.596 0.000 1.031 955 S HN 0.456 nan 8.310 nan 0.000 0.483 956 V N 4.250 124.371 119.914 0.345 0.000 2.357 956 V HA 0.395 4.515 4.120 0.001 0.000 0.284 956 V C -1.089 175.313 176.094 0.513 0.000 1.018 956 V CA -0.698 61.807 62.300 0.342 0.000 0.841 956 V CB 0.965 33.017 31.823 0.381 0.000 0.991 956 V HN 0.795 nan 8.190 nan 0.000 0.437 957 H N 3.238 122.394 119.070 0.142 0.000 2.504 957 H HA 0.588 5.144 4.556 0.000 0.000 0.322 957 H C -0.481 174.910 175.328 0.104 0.000 1.055 957 H CA -0.872 55.253 56.048 0.127 0.000 1.231 957 H CB 1.775 31.593 29.762 0.093 0.000 1.417 957 H HN 0.367 nan 8.280 nan 0.000 0.472 958 V N 5.893 125.968 119.914 0.268 0.000 2.313 958 V HA 0.213 4.334 4.120 0.001 0.000 0.278 958 V C 0.345 176.542 176.094 0.170 0.000 1.017 958 V CA -0.656 61.785 62.300 0.237 0.000 0.823 958 V CB 0.777 32.784 31.823 0.306 0.000 1.010 958 V HN 0.550 nan 8.190 nan 0.000 0.443 959 L N 3.685 124.991 121.223 0.139 0.000 2.418 959 L HA 0.632 4.973 4.340 0.001 0.000 0.265 959 L C 1.037 177.968 176.870 0.102 0.000 1.143 959 L CA -0.228 54.678 54.840 0.112 0.000 0.809 959 L CB 0.723 42.837 42.059 0.092 0.000 1.124 959 L HN 0.692 nan 8.230 nan 0.000 0.456 960 A N 2.122 124.994 122.820 0.086 0.000 2.386 960 A HA 0.136 4.456 4.320 0.001 0.000 0.246 960 A C 1.375 178.999 177.584 0.066 0.000 1.089 960 A CA -0.048 52.034 52.037 0.075 0.000 0.790 960 A CB 0.164 19.201 19.000 0.062 0.000 1.042 960 A HN 0.946 nan 8.150 nan 0.000 0.497 961 R N -0.045 120.490 120.500 0.058 0.000 2.115 961 R HA -0.192 4.148 4.340 0.001 0.000 0.239 961 R C 0.321 176.641 176.300 0.035 0.000 1.133 961 R CA 2.354 58.480 56.100 0.043 0.000 0.935 961 R CB -0.196 30.117 30.300 0.022 0.000 0.853 961 R HN 0.835 nan 8.270 nan 0.000 0.433 962 E N -0.130 120.088 120.200 0.029 0.000 2.354 962 E HA 0.088 4.438 4.350 0.001 0.000 0.252 962 E C -0.432 176.186 176.600 0.030 0.000 1.330 962 E CA -0.062 56.352 56.400 0.024 0.000 1.658 962 E CB 0.562 30.271 29.700 0.015 0.000 1.460 962 E HN 0.234 nan 8.360 nan 0.000 0.435 963 M N 0.386 120.009 119.600 0.038 0.000 3.053 963 M HA 0.157 4.637 4.480 0.001 0.000 0.293 963 M C 0.543 176.869 176.300 0.043 0.000 1.470 963 M CA 0.146 55.474 55.300 0.046 0.000 0.582 963 M CB -0.150 32.487 32.600 0.061 0.000 1.435 963 M HN 0.299 nan 8.290 nan 0.000 0.451 964 D N 1.199 121.617 120.400 0.031 0.000 2.242 964 D HA -0.129 4.511 4.640 0.001 0.000 0.193 964 D C 0.898 177.208 176.300 0.018 0.000 1.005 964 D CA 2.260 56.273 54.000 0.022 0.000 0.856 964 D CB -0.364 40.445 40.800 0.015 0.000 1.001 964 D HN 0.748 nan 8.370 nan 0.000 0.452 965 S N -2.368 113.340 115.700 0.014 0.000 2.687 965 S HA 0.635 5.105 4.470 0.001 0.000 0.283 965 S C -0.009 174.603 174.600 0.020 0.000 1.170 965 S CA 0.073 58.276 58.200 0.005 0.000 1.008 965 S CB 1.479 64.675 63.200 -0.006 0.000 1.026 965 S HN 1.530 nan 8.310 nan 0.000 0.541 966 C N 2.490 121.797 119.300 0.012 0.000 3.279 966 C HA 0.733 5.193 4.460 0.001 0.000 0.386 966 C C -2.902 172.073 174.990 -0.026 0.000 1.081 966 C CA -1.012 58.020 59.018 0.024 0.000 1.192 966 C CB 1.022 28.829 27.740 0.113 0.000 1.552 966 C HN 0.788 nan 8.230 nan 0.000 0.559 967 P HA 0.330 nan 4.420 nan 0.000 0.276 967 P C 0.400 177.663 177.300 -0.062 0.000 1.261 967 P CA -0.117 62.864 63.100 -0.197 0.000 0.800 967 P CB 0.987 32.449 31.700 -0.398 0.000 1.066 968 V N 0.006 119.894 119.914 -0.045 0.000 2.492 968 V HA 0.003 4.124 4.120 0.001 0.000 0.241 968 V C 0.972 177.157 176.094 0.152 0.000 1.041 968 V CA 1.022 63.343 62.300 0.036 0.000 1.057 968 V CB -0.069 31.678 31.823 -0.127 0.000 0.711 968 V HN 0.352 nan 8.190 nan 0.000 0.468 969 V N -0.827 119.128 119.914 0.068 0.000 2.815 969 V HA 0.911 5.031 4.120 0.001 0.000 0.314 969 V C 0.059 176.174 176.094 0.035 0.000 1.064 969 V CA -0.390 62.022 62.300 0.187 0.000 0.952 969 V CB 1.274 33.192 31.823 0.158 0.000 1.020 969 V HN 0.229 nan 8.190 nan 0.000 0.439 970 G N 0.385 109.204 108.800 0.033 0.000 2.530 970 G HA2 0.592 4.552 3.960 0.001 0.000 0.316 970 G HA3 0.592 4.552 3.960 0.001 0.000 0.316 970 G C 0.222 174.816 174.900 -0.509 0.000 1.298 970 G CA 0.321 45.187 45.100 -0.389 0.000 0.948 970 G HN 1.051 nan 8.290 nan 0.000 0.486 971 E N 3.210 123.138 120.200 -0.455 0.000 2.072 971 E HA 0.155 4.506 4.350 0.001 0.000 0.190 971 E C 1.237 177.748 176.600 -0.149 0.000 0.982 971 E CA 0.926 57.194 56.400 -0.220 0.000 0.803 971 E CB -0.741 28.895 29.700 -0.107 0.000 0.755 971 E HN 0.841 nan 8.360 nan 0.000 0.453 979 N N 1.058 119.766 118.700 0.014 0.000 2.623 979 N HA 0.602 5.342 4.740 0.001 0.000 0.263 979 N C -0.046 175.471 175.510 0.012 0.000 1.218 979 N CA 0.209 53.266 53.050 0.012 0.000 0.949 979 N CB -0.045 38.448 38.487 0.009 0.000 1.270 979 N HN 0.616 nan 8.380 nan 0.000 0.507 980 L N 0.433 121.664 121.223 0.013 0.000 2.352 980 L HA 0.513 4.853 4.340 0.001 0.000 0.269 980 L C 1.246 178.120 176.870 0.007 0.000 1.034 980 L CA -1.019 53.826 54.840 0.009 0.000 0.806 980 L CB 1.553 43.616 42.059 0.008 0.000 1.244 980 L HN 0.320 nan 8.230 nan 0.000 0.447 981 S N 0.225 115.927 115.700 0.003 0.000 2.560 981 S HA 0.107 4.577 4.470 0.001 0.000 0.276 981 S C -0.153 174.446 174.600 -0.001 0.000 1.350 981 S CA -0.466 57.734 58.200 0.000 0.000 1.024 981 S CB 0.283 63.483 63.200 0.000 0.000 0.864 981 S HN 0.666 nan 8.310 nan 0.000 0.536 982 Q N 0.485 120.287 119.800 0.003 0.000 2.222 982 Q HA 0.565 4.905 4.340 0.001 0.000 0.252 982 Q C -0.520 175.487 176.000 0.012 0.000 0.926 982 Q CA -0.889 54.923 55.803 0.014 0.000 0.899 982 Q CB 1.267 30.017 28.738 0.020 0.000 1.250 982 Q HN 0.945 nan 8.270 nan 0.000 0.441 983 A N 4.822 127.661 122.820 0.031 0.000 2.331 983 A HA 0.528 4.848 4.320 0.001 0.000 0.283 983 A C -2.242 175.366 177.584 0.040 0.000 1.142 983 A CA -1.367 50.690 52.037 0.034 0.000 0.812 983 A CB 0.176 19.224 19.000 0.080 0.000 1.074 983 A HN 0.651 nan 8.150 nan 0.000 0.497 984 P HA 0.330 nan 4.420 nan 0.000 0.276 984 P C -0.307 177.010 177.300 0.028 0.000 1.230 984 P CA 0.032 63.139 63.100 0.012 0.000 0.776 984 P CB 1.083 32.775 31.700 -0.012 0.000 0.888 985 A N 4.604 127.443 122.820 0.033 0.000 2.450 985 A HA 0.368 4.688 4.320 0.001 0.000 0.255 985 A C 0.373 177.981 177.584 0.039 0.000 1.096 985 A CA -0.372 51.694 52.037 0.049 0.000 0.778 985 A CB -0.326 18.700 19.000 0.044 0.000 1.031 985 A HN 0.528 nan 8.150 nan 0.000 0.494 986 L N 4.253 125.517 121.223 0.068 0.000 2.343 986 L HA 0.456 4.796 4.340 0.001 0.000 0.275 986 L C -1.500 175.470 176.870 0.167 0.000 1.056 986 L CA -1.797 53.088 54.840 0.076 0.000 0.804 986 L CB 1.040 43.138 42.059 0.064 0.000 1.203 986 L HN 0.628 nan 8.230 nan 0.000 0.440 987 P HA 0.108 nan 4.420 nan 0.000 0.277 987 P C -1.125 176.341 177.300 0.277 0.000 1.276 987 P CA -0.628 62.587 63.100 0.190 0.000 0.788 987 P CB 0.717 32.510 31.700 0.155 0.000 1.114 988 Q N 0.919 120.793 119.800 0.124 0.000 2.286 988 Q HA 0.306 4.646 4.340 0.001 0.000 0.257 988 Q C -2.027 173.920 176.000 -0.088 0.000 0.941 988 Q CA -1.459 54.353 55.803 0.015 0.000 0.912 988 Q CB 0.163 28.881 28.738 -0.033 0.000 1.192 988 Q HN 0.290 nan 8.270 nan 0.000 0.410 989 P HA 0.185 nan 4.420 nan 0.000 0.285 989 P C -1.270 175.749 177.300 -0.468 0.000 1.269 989 P CA -0.591 62.092 63.100 -0.694 0.000 0.844 989 P CB 1.092 31.787 31.700 -1.675 0.000 1.094 990 E N 1.087 121.008 120.200 -0.465 0.000 2.130 990 E HA 0.278 4.628 4.350 0.001 0.000 0.284 990 E C -0.750 175.741 176.600 -0.182 0.000 1.018 990 E CA -0.740 55.497 56.400 -0.270 0.000 0.817 990 E CB 0.693 30.234 29.700 -0.265 0.000 1.078 990 E HN 0.104 nan 8.360 nan 0.000 0.396 991 V N 6.698 126.528 119.914 -0.140 0.000 2.508 991 V HA 0.108 4.228 4.120 0.001 0.000 0.281 991 V C 0.553 176.643 176.094 -0.008 0.000 1.041 991 V CA -0.153 62.078 62.300 -0.115 0.000 1.016 991 V CB 0.615 32.362 31.823 -0.125 0.000 0.984 991 V HN 0.673 nan 8.190 nan 0.000 0.478 992 I N 5.183 125.757 120.570 0.007 0.000 2.396 992 I HA 0.165 4.335 4.170 0.001 0.000 0.289 992 I C 1.077 177.249 176.117 0.091 0.000 1.056 992 I CA 0.298 61.627 61.300 0.049 0.000 1.365 992 I CB 0.822 38.758 38.000 -0.105 0.000 1.407 992 I HN 0.731 nan 8.210 nan 0.000 0.509 993 Q N 3.791 123.639 119.800 0.079 0.000 2.350 993 Q HA 0.179 4.519 4.340 0.001 0.000 0.225 993 Q C 0.226 176.279 176.000 0.089 0.000 0.878 993 Q CA 0.230 56.074 55.803 0.068 0.000 0.935 993 Q CB 0.648 29.407 28.738 0.035 0.000 1.099 993 Q HN 0.573 nan 8.270 nan 0.000 0.527 994 N N 0.080 118.829 118.700 0.081 0.000 2.519 994 N HA 0.169 4.909 4.740 0.001 0.000 0.291 994 N C 0.202 175.733 175.510 0.035 0.000 1.107 994 N CA 0.026 53.111 53.050 0.058 0.000 0.904 994 N CB 1.248 39.766 38.487 0.053 0.000 1.500 994 N HN 0.001 nan 8.380 nan 0.000 0.510 995 M N 0.920 120.495 119.600 -0.041 0.000 2.108 995 M HA -0.139 4.341 4.480 0.001 0.000 0.261 995 M C 1.505 177.820 176.300 0.025 0.000 1.066 995 M CA 1.769 57.023 55.300 -0.075 0.000 1.107 995 M CB -0.427 32.058 32.600 -0.193 0.000 1.356 995 M HN 0.489 nan 8.290 nan 0.000 0.406 996 T N 0.163 114.721 114.554 0.006 0.000 2.708 996 T HA -0.152 4.198 4.350 0.001 0.000 0.266 996 T C 1.635 176.339 174.700 0.007 0.000 1.037 996 T CA 1.450 63.549 62.100 -0.002 0.000 1.146 996 T CB -0.339 68.533 68.868 0.006 0.000 0.865 996 T HN 0.463 nan 8.240 nan 0.000 0.435 997 E N 0.217 120.437 120.200 0.032 0.000 2.058 997 E HA -0.138 4.212 4.350 0.001 0.000 0.194 997 E C 1.898 178.517 176.600 0.032 0.000 0.997 997 E CA 1.098 57.517 56.400 0.032 0.000 0.801 997 E CB -0.310 29.423 29.700 0.054 0.000 0.746 997 E HN 0.459 nan 8.360 nan 0.000 0.450 998 F N 2.197 122.098 119.950 -0.082 0.000 2.065 998 F HA -0.246 4.282 4.527 0.001 0.000 0.298 998 F C 1.961 177.667 175.800 -0.157 0.000 1.112 998 F CA 1.745 59.667 58.000 -0.130 0.000 1.212 998 F CB -0.061 38.837 39.000 -0.169 0.000 0.975 998 F HN -0.194 nan 8.300 nan 0.000 0.476 999 K N -0.048 120.206 120.400 -0.243 0.000 2.057 999 K HA -0.150 4.170 4.320 0.001 0.000 0.207 999 K C 2.208 178.642 176.600 -0.275 0.000 1.049 999 K CA 1.596 57.681 56.287 -0.336 0.000 0.931 999 K CB -0.308 32.102 32.500 -0.150 0.000 0.714 999 K HN 0.300 nan 8.250 nan 0.000 0.440 1000 R N 0.088 120.486 120.500 -0.170 0.000 2.120 1000 R HA -0.086 4.255 4.340 0.001 0.000 0.234 1000 R C 2.209 178.424 176.300 -0.141 0.000 1.123 1000 R CA 1.281 57.306 56.100 -0.125 0.000 0.975 1000 R CB -0.328 29.930 30.300 -0.071 0.000 0.866 1000 R HN 0.267 nan 8.270 nan 0.000 0.446 1001 G N 0.097 108.793 108.800 -0.173 0.000 3.026 1001 G HA2 0.120 4.080 3.960 0.001 0.000 0.208 1001 G HA3 0.120 4.080 3.960 0.001 0.000 0.208 1001 G C -0.067 174.711 174.900 -0.204 0.000 1.169 1001 G CA 0.040 45.051 45.100 -0.148 0.000 0.788 1001 G HN -0.072 nan 8.290 nan 0.000 0.533 1002 L N 0.436 121.484 121.223 -0.291 0.000 2.354 1002 L HA 0.554 4.895 4.340 0.001 0.000 0.264 1002 L C -2.077 174.654 176.870 -0.232 0.000 1.008 1002 L CA -2.300 52.359 54.840 -0.303 0.000 0.819 1002 L CB 2.567 44.319 42.059 -0.511 0.000 1.339 1002 L HN -0.155 nan 8.230 nan 0.000 0.420 1003 P HA 0.365 nan 4.420 nan 0.000 0.276 1003 P C -1.325 175.863 177.300 -0.186 0.000 1.261 1003 P CA -0.451 62.541 63.100 -0.179 0.000 0.800 1003 P CB 1.030 32.619 31.700 -0.186 0.000 1.066 1004 L N 0.544 121.687 121.223 -0.135 0.000 2.346 1004 L HA 0.421 4.761 4.340 0.001 0.000 0.276 1004 L C 0.634 177.477 176.870 -0.045 0.000 1.006 1004 L CA -1.046 53.755 54.840 -0.063 0.000 0.817 1004 L CB 0.901 42.952 42.059 -0.013 0.000 1.272 1004 L HN 0.259 nan 8.230 nan 0.000 0.421 1005 F N 3.369 123.300 119.950 -0.031 0.000 2.539 1005 F HA 0.136 4.664 4.527 0.000 0.000 0.340 1005 F C -1.446 174.350 175.800 -0.008 0.000 1.185 1005 F CA -0.464 57.526 58.000 -0.017 0.000 1.333 1005 F CB 0.294 39.293 39.000 -0.003 0.000 1.152 1005 F HN 0.296 nan 8.300 nan 0.000 0.602 1006 P HA 0.147 nan 4.420 nan 0.000 0.279 1006 P C -1.119 176.248 177.300 0.112 0.000 1.276 1006 P CA -0.436 62.737 63.100 0.122 0.000 0.801 1006 P CB 0.881 32.635 31.700 0.089 0.000 1.127 1007 L N 0.556 121.812 121.223 0.055 0.000 2.350 1007 L HA 0.251 4.591 4.340 0.001 0.000 0.275 1007 L C 0.882 177.757 176.870 0.009 0.000 1.099 1007 L CA -0.660 54.195 54.840 0.024 0.000 0.808 1007 L CB 0.649 42.706 42.059 -0.004 0.000 1.149 1007 L HN 0.135 nan 8.230 nan 0.000 0.442 1008 V N 4.361 124.268 119.914 -0.012 0.000 2.872 1008 V HA 0.101 4.222 4.120 0.001 0.000 0.307 1008 V C 0.363 176.444 176.094 -0.022 0.000 1.072 1008 V CA -0.291 61.995 62.300 -0.024 0.000 1.148 1008 V CB 0.769 32.562 31.823 -0.050 0.000 0.954 1008 V HN 0.682 nan 8.190 nan 0.000 0.490 1009 K N 5.926 126.316 120.400 -0.017 0.000 2.098 1009 K HA 0.588 4.908 4.320 0.001 0.000 0.258 1009 K C -2.310 174.292 176.600 0.003 0.000 0.973 1009 K CA -2.284 53.998 56.287 -0.010 0.000 0.898 1009 K CB 0.770 33.261 32.500 -0.015 0.000 1.057 1009 K HN 0.498 nan 8.250 nan 0.000 0.447 1010 P HA 0.205 nan 4.420 nan 0.000 0.274 1010 P C -0.314 177.033 177.300 0.079 0.000 1.246 1010 P CA -0.204 62.964 63.100 0.113 0.000 0.795 1010 P CB 0.532 32.344 31.700 0.187 0.000 1.006 1011 H N -0.412 118.674 119.070 0.027 0.000 2.965 1011 H HA 0.707 5.263 4.556 0.000 0.000 0.220 1011 H C 0.479 175.807 175.328 0.000 0.000 1.548 1011 H CA 0.252 56.285 56.048 -0.024 0.000 1.658 1011 H CB -0.004 29.705 29.762 -0.087 0.000 1.509 1011 H HN 0.288 nan 8.280 nan 0.000 0.930 1012 I N -2.139 118.533 120.570 0.171 0.000 3.445 1012 I HA 0.737 4.908 4.170 0.001 0.000 0.303 1012 I C -0.322 175.888 176.117 0.154 0.000 1.129 1012 I CA -0.199 61.155 61.300 0.090 0.000 0.989 1012 I CB 0.899 38.933 38.000 0.057 0.000 1.314 1012 I HN 1.042 nan 8.210 nan 0.000 0.488 1013 N N -0.981 117.804 118.700 0.143 0.000 3.134 1013 N HA 0.744 5.484 4.740 0.001 0.000 0.235 1013 N C -0.386 175.170 175.510 0.076 0.000 1.092 1013 N CA -0.092 53.083 53.050 0.208 0.000 1.038 1013 N CB -0.070 38.722 38.487 0.508 0.000 1.684 1013 N HN 2.488 nan 8.380 nan 0.000 0.551 1014 F N 0.000 119.996 119.950 0.077 0.000 2.286 1014 F HA 0.000 4.527 4.527 0.001 0.000 0.279 1014 F CA 0.000 58.014 58.000 0.024 0.000 1.383 1014 F CB 0.000 39.025 39.000 0.041 0.000 1.145 1014 F HN 0.000 nan 8.300 nan 0.000 0.574