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 2nqq_1_C DATA FIRST_RESID 7 DATA SEQUENCE LMSLDTALNE MLSRVTPLTA QETLPLVQCF GRILASDVVS PLDVPGFDNS DATA SEQUENCE AMDGYAVRLA DIASGQPLPV AGKSFAGQPY HGEWPAGTCI RIMTGAPVPE DATA SEQUENCE GCEAVVMQEQ TEQMDNGVRF TAEVRSGQNI QRRGEDISAG AVVFPAGTRL DATA SEQUENCE TTAELPVIAS LGIAEVPVIR KVRVALFSTG DELQLPGQPL GDGQIYDTNR DATA SEQUENCE LAVHLMLEQL GCEVINLGII RDDPHALRAA FIEADSQADV VISSGGVSVG DATA SEQUENCE EADYTKTILE ELGEIAFWKL AIKPGKPFAF GKLSNSWFCG LPGNPVSATL DATA SEQUENCE TFYQLVQPLL AKLSGNTASG LPARQRVRTA SRLKKTPGRL DFQRGVLQRN DATA SEQUENCE ADGELEVTTT GHQGSHIFSS FSLGNCFIVL ERDRGNVEVG EWVEVEPFNA DATA SEQUENCE LFG 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 7 L HA 0.000 nan 4.340 nan 0.000 0.249 7 L C 0.000 176.869 176.870 -0.001 0.000 1.165 7 L CA 0.000 54.855 54.840 0.025 0.000 0.813 7 L CB 0.000 42.086 42.059 0.045 0.000 0.961 8 M N 2.572 122.165 119.600 -0.012 0.000 2.146 8 M HA 0.368 4.849 4.480 0.003 0.000 0.352 8 M C 0.318 176.566 176.300 -0.087 0.000 1.343 8 M CA -0.104 55.146 55.300 -0.084 0.000 1.115 8 M CB 0.877 33.378 32.600 -0.165 0.000 1.657 8 M HN 0.492 nan 8.290 nan 0.000 0.471 9 S N 4.520 120.164 115.700 -0.094 0.000 2.576 9 S HA 0.067 4.539 4.470 0.003 0.000 0.272 9 S C 1.052 175.587 174.600 -0.109 0.000 1.352 9 S CA -0.734 57.420 58.200 -0.077 0.000 1.021 9 S CB 0.837 63.995 63.200 -0.070 0.000 0.887 9 S HN 0.929 nan 8.310 nan 0.000 0.542 10 L N 0.305 121.488 121.223 -0.066 0.000 2.056 10 L HA -0.101 4.240 4.340 0.003 0.000 0.207 10 L C 2.332 179.136 176.870 -0.111 0.000 1.078 10 L CA 1.998 56.792 54.840 -0.076 0.000 0.749 10 L CB -0.730 41.333 42.059 0.007 0.000 0.901 10 L HN 0.861 nan 8.230 nan 0.000 0.433 11 D N -0.633 119.716 120.400 -0.085 0.000 2.116 11 D HA -0.189 4.453 4.640 0.003 0.000 0.193 11 D C 1.961 178.183 176.300 -0.130 0.000 0.998 11 D CA 1.878 55.823 54.000 -0.091 0.000 0.836 11 D CB 0.122 40.881 40.800 -0.067 0.000 0.951 11 D HN 0.242 nan 8.370 nan 0.000 0.449 12 T N -0.049 114.413 114.554 -0.154 0.000 2.643 12 T HA -0.127 4.225 4.350 0.003 0.000 0.264 12 T C 1.959 176.478 174.700 -0.302 0.000 1.045 12 T CA 1.982 63.963 62.100 -0.198 0.000 1.155 12 T CB -0.699 68.049 68.868 -0.201 0.000 0.863 12 T HN 0.243 nan 8.240 nan 0.000 0.420 13 A N 1.108 123.668 122.820 -0.435 0.000 1.892 13 A HA -0.080 4.241 4.320 0.003 0.000 0.218 13 A C 2.353 179.704 177.584 -0.389 0.000 1.188 13 A CA 1.507 53.132 52.037 -0.687 0.000 0.631 13 A CB -1.079 17.507 19.000 -0.691 0.000 0.822 13 A HN 0.472 nan 8.150 nan 0.000 0.447 14 L N -0.706 120.359 121.223 -0.265 0.000 1.989 14 L HA -0.265 4.076 4.340 0.003 0.000 0.211 14 L C 2.375 179.133 176.870 -0.186 0.000 1.071 14 L CA 2.134 56.847 54.840 -0.211 0.000 0.749 14 L CB -0.442 41.516 42.059 -0.170 0.000 0.890 14 L HN 0.491 nan 8.230 nan 0.000 0.431 15 N N -0.694 117.911 118.700 -0.158 0.000 2.149 15 N HA -0.221 4.521 4.740 0.003 0.000 0.188 15 N C 1.710 177.160 175.510 -0.100 0.000 1.019 15 N CA 1.277 54.256 53.050 -0.118 0.000 0.857 15 N CB 0.027 38.456 38.487 -0.096 0.000 0.997 15 N HN 0.322 nan 8.380 nan 0.000 0.426 16 E N 0.155 120.286 120.200 -0.116 0.000 2.051 16 E HA -0.189 4.162 4.350 0.003 0.000 0.192 16 E C 1.887 178.494 176.600 0.013 0.000 0.991 16 E CA 1.132 57.520 56.400 -0.021 0.000 0.799 16 E CB -0.042 29.654 29.700 -0.006 0.000 0.748 16 E HN 0.442 nan 8.360 nan 0.000 0.449 17 M N 0.218 119.739 119.600 -0.133 0.000 2.117 17 M HA -0.181 4.301 4.480 0.003 0.000 0.262 17 M C 2.293 178.441 176.300 -0.253 0.000 1.065 17 M CA 1.408 56.476 55.300 -0.387 0.000 1.114 17 M CB -0.228 31.925 32.600 -0.745 0.000 1.361 17 M HN 0.085 nan 8.290 nan 0.000 0.408 18 L N -0.457 120.647 121.223 -0.198 0.000 2.240 18 L HA -0.081 4.261 4.340 0.003 0.000 0.211 18 L C 2.765 179.577 176.870 -0.098 0.000 1.106 18 L CA 0.986 55.729 54.840 -0.161 0.000 0.793 18 L CB -0.672 41.304 42.059 -0.138 0.000 0.927 18 L HN 0.386 nan 8.230 nan 0.000 0.446 19 S N -0.151 115.515 115.700 -0.058 0.000 2.402 19 S HA -0.130 4.342 4.470 0.003 0.000 0.229 19 S C 2.047 176.660 174.600 0.022 0.000 1.021 19 S CA 0.547 58.740 58.200 -0.012 0.000 0.974 19 S CB -0.284 62.918 63.200 0.004 0.000 0.800 19 S HN 0.371 nan 8.310 nan 0.000 0.484 20 R N 0.555 121.074 120.500 0.032 0.000 2.236 20 R HA 0.254 4.596 4.340 0.003 0.000 0.208 20 R C -0.054 176.303 176.300 0.095 0.000 1.036 20 R CA 0.221 56.387 56.100 0.110 0.000 1.001 20 R CB -0.226 30.182 30.300 0.180 0.000 0.896 20 R HN 0.330 nan 8.270 nan 0.000 0.464 21 V N 1.345 121.213 119.914 -0.076 0.000 2.539 21 V HA 0.159 4.281 4.120 0.003 0.000 0.292 21 V C 0.230 176.347 176.094 0.039 0.000 1.045 21 V CA -0.138 62.098 62.300 -0.107 0.000 0.945 21 V CB 1.932 33.543 31.823 -0.353 0.000 0.993 21 V HN 0.007 nan 8.190 nan 0.000 0.464 22 T N 6.667 121.301 114.554 0.134 0.000 2.770 22 T HA 0.420 4.771 4.350 0.003 0.000 0.283 22 T C -2.500 172.252 174.700 0.087 0.000 0.988 22 T CA -1.003 61.160 62.100 0.106 0.000 0.957 22 T CB 1.543 70.492 68.868 0.136 0.000 0.930 22 T HN 0.461 nan 8.240 nan 0.000 0.443 23 P HA 0.070 nan 4.420 nan 0.000 0.266 23 P C -0.379 176.952 177.300 0.050 0.000 1.186 23 P CA -0.513 62.609 63.100 0.036 0.000 0.767 23 P CB 0.359 32.070 31.700 0.018 0.000 0.820 24 L N 2.275 123.526 121.223 0.047 0.000 2.467 24 L HA 0.131 4.473 4.340 0.003 0.000 0.270 24 L C 1.714 178.602 176.870 0.030 0.000 1.205 24 L CA 1.238 56.104 54.840 0.044 0.000 0.828 24 L CB -0.351 41.732 42.059 0.040 0.000 1.101 24 L HN 0.574 nan 8.230 nan 0.000 0.479 25 T N -2.127 112.444 114.554 0.029 0.000 2.986 25 T HA 0.417 4.768 4.350 0.003 0.000 0.264 25 T C 0.573 175.284 174.700 0.019 0.000 0.964 25 T CA 0.218 62.331 62.100 0.022 0.000 0.895 25 T CB 0.091 68.972 68.868 0.022 0.000 1.163 25 T HN 0.566 nan 8.240 nan 0.000 0.517 26 A N 2.413 125.245 122.820 0.021 0.000 2.511 26 A HA 0.530 4.852 4.320 0.003 0.000 0.242 26 A C 0.267 177.860 177.584 0.015 0.000 1.069 26 A CA -0.292 51.756 52.037 0.018 0.000 0.763 26 A CB -0.065 18.947 19.000 0.020 0.000 1.001 26 A HN 0.774 nan 8.150 nan 0.000 0.498 27 Q N 1.190 120.998 119.800 0.013 0.000 2.456 27 Q HA 0.735 5.077 4.340 0.003 0.000 0.283 27 Q C -1.103 174.903 176.000 0.011 0.000 1.084 27 Q CA -0.942 54.868 55.803 0.011 0.000 0.801 27 Q CB 1.760 30.504 28.738 0.010 0.000 1.434 27 Q HN 0.785 nan 8.270 nan 0.000 0.419 28 E N 0.225 120.431 120.200 0.009 0.000 2.383 28 E HA 0.515 4.867 4.350 0.003 0.000 0.275 28 E C -1.245 175.360 176.600 0.009 0.000 0.918 28 E CA -1.029 55.377 56.400 0.010 0.000 0.764 28 E CB 2.191 31.897 29.700 0.010 0.000 1.252 28 E HN 0.468 nan 8.360 nan 0.000 0.449 29 T N 2.559 117.119 114.554 0.010 0.000 2.749 29 T HA 0.478 4.829 4.350 0.003 0.000 0.287 29 T C -0.455 174.251 174.700 0.011 0.000 0.970 29 T CA -0.397 61.709 62.100 0.010 0.000 0.980 29 T CB 0.170 69.045 68.868 0.010 0.000 0.924 29 T HN 0.283 nan 8.240 nan 0.000 0.456 30 L N 4.961 126.190 121.223 0.011 0.000 2.371 30 L HA 0.511 4.853 4.340 0.003 0.000 0.262 30 L C -2.427 174.451 176.870 0.014 0.000 1.006 30 L CA -2.872 51.976 54.840 0.012 0.000 0.818 30 L CB 2.518 44.585 42.059 0.013 0.000 1.354 30 L HN 0.340 nan 8.230 nan 0.000 0.415 31 P HA 0.073 nan 4.420 nan 0.000 0.268 31 P C 0.868 178.179 177.300 0.020 0.000 1.208 31 P CA -0.190 62.920 63.100 0.017 0.000 0.777 31 P CB 0.631 32.341 31.700 0.017 0.000 0.875 32 L N 2.052 123.287 121.223 0.021 0.000 2.127 32 L HA -0.154 4.188 4.340 0.003 0.000 0.211 32 L C 2.212 179.103 176.870 0.035 0.000 1.089 32 L CA 1.437 56.291 54.840 0.023 0.000 0.757 32 L CB -0.630 41.444 42.059 0.025 0.000 0.899 32 L HN 0.271 nan 8.230 nan 0.000 0.434 33 V N -0.399 119.536 119.914 0.034 0.000 2.970 33 V HA -0.193 3.929 4.120 0.003 0.000 0.260 33 V C 1.875 177.998 176.094 0.049 0.000 1.100 33 V CA 1.394 63.718 62.300 0.041 0.000 1.122 33 V CB -0.143 31.696 31.823 0.027 0.000 0.721 33 V HN 0.539 nan 8.190 nan 0.000 0.483 34 Q N -2.044 117.781 119.800 0.043 0.000 2.220 34 Q HA 0.111 4.452 4.340 0.003 0.000 0.205 34 Q C 1.515 177.548 176.000 0.055 0.000 0.865 34 Q CA 0.210 56.040 55.803 0.045 0.000 0.960 34 Q CB 0.356 29.112 28.738 0.030 0.000 1.097 34 Q HN 0.629 nan 8.270 nan 0.000 0.493 35 C N 0.242 119.577 119.300 0.059 0.000 2.906 35 C HA 0.212 4.673 4.460 0.003 0.000 0.274 35 C C 0.666 175.675 174.990 0.031 0.000 1.257 35 C CA -0.766 58.270 59.018 0.030 0.000 1.695 35 C CB -1.048 26.689 27.740 -0.006 0.000 1.958 35 C HN 0.423 nan 8.230 nan 0.000 0.619 36 F N 1.419 121.352 119.950 -0.029 0.000 2.602 36 F HA 0.397 4.926 4.527 0.003 0.000 0.385 36 F C 1.455 177.236 175.800 -0.031 0.000 1.063 36 F CA 1.977 59.957 58.000 -0.033 0.000 1.233 36 F CB 0.436 39.421 39.000 -0.026 0.000 1.067 36 F HN 0.460 nan 8.300 nan 0.000 0.564 37 G N 3.783 112.340 108.800 -0.406 0.000 2.189 37 G HA2 -0.288 3.673 3.960 0.003 0.000 0.267 37 G HA3 -0.288 3.673 3.960 0.003 0.000 0.267 37 G C 0.482 175.316 174.900 -0.111 0.000 0.975 37 G CA -0.079 44.909 45.100 -0.187 0.000 0.644 37 G HN 0.590 nan 8.290 nan 0.000 0.537 38 R N 0.080 120.520 120.500 -0.100 0.000 2.531 38 R HA 0.500 4.842 4.340 0.003 0.000 0.273 38 R C 0.657 176.907 176.300 -0.084 0.000 1.070 38 R CA -0.854 55.208 56.100 -0.063 0.000 1.112 38 R CB 0.369 30.648 30.300 -0.035 0.000 1.049 38 R HN 0.204 nan 8.270 nan 0.000 0.508 39 I N 3.346 123.882 120.570 -0.056 0.000 2.315 39 I HA 0.192 4.364 4.170 0.003 0.000 0.291 39 I C 0.878 176.971 176.117 -0.040 0.000 1.006 39 I CA -0.783 60.484 61.300 -0.055 0.000 1.265 39 I CB 0.332 38.308 38.000 -0.039 0.000 1.387 39 I HN 0.324 nan 8.210 nan 0.000 0.475 40 L N 5.117 126.313 121.223 -0.045 0.000 2.559 40 L HA -0.022 4.320 4.340 0.003 0.000 0.274 40 L C 1.471 178.338 176.870 -0.005 0.000 1.205 40 L CA 0.053 54.881 54.840 -0.021 0.000 0.907 40 L CB 0.977 43.032 42.059 -0.007 0.000 1.153 40 L HN 0.808 nan 8.230 nan 0.000 0.490 41 A N 2.818 125.639 122.820 0.002 0.000 1.984 41 A HA 0.075 4.397 4.320 0.003 0.000 0.214 41 A C 0.860 178.451 177.584 0.012 0.000 1.173 41 A CA 0.960 53.001 52.037 0.007 0.000 0.673 41 A CB 0.052 19.056 19.000 0.007 0.000 0.830 41 A HN 0.715 nan 8.150 nan 0.000 0.453 42 S N -0.636 115.074 115.700 0.017 0.000 2.661 42 S HA 0.521 4.993 4.470 0.003 0.000 0.285 42 S C -1.612 173.007 174.600 0.031 0.000 1.138 42 S CA -0.993 57.219 58.200 0.021 0.000 0.855 42 S CB 0.978 64.189 63.200 0.017 0.000 1.136 42 S HN 0.106 nan 8.310 nan 0.000 0.484 43 D N 1.206 121.625 120.400 0.031 0.000 2.455 43 D HA 0.272 4.913 4.640 0.003 0.000 0.241 43 D C -0.287 176.040 176.300 0.045 0.000 1.138 43 D CA 0.030 54.054 54.000 0.040 0.000 0.877 43 D CB 0.669 41.482 40.800 0.022 0.000 1.187 43 D HN 0.346 nan 8.370 nan 0.000 0.451 44 V N 3.379 123.337 119.914 0.074 0.000 2.427 44 V HA 0.127 4.249 4.120 0.003 0.000 0.268 44 V C 0.470 176.574 176.094 0.017 0.000 1.046 44 V CA -0.439 61.902 62.300 0.069 0.000 0.970 44 V CB 1.245 33.158 31.823 0.149 0.000 1.001 44 V HN 0.210 nan 8.190 nan 0.000 0.476 45 V N 4.373 124.291 119.914 0.006 0.000 2.483 45 V HA 0.361 4.482 4.120 0.003 0.000 0.295 45 V C 0.424 176.506 176.094 -0.021 0.000 1.035 45 V CA -0.321 61.970 62.300 -0.016 0.000 0.896 45 V CB 2.099 33.916 31.823 -0.010 0.000 0.986 45 V HN 0.862 nan 8.190 nan 0.000 0.447 46 S N 6.031 121.707 115.700 -0.040 0.000 2.505 46 S HA 0.313 4.784 4.470 0.003 0.000 0.276 46 S C -1.145 173.436 174.600 -0.032 0.000 1.274 46 S CA -1.086 57.090 58.200 -0.039 0.000 1.053 46 S CB 1.079 64.245 63.200 -0.058 0.000 0.919 46 S HN 0.697 nan 8.310 nan 0.000 0.490 47 P HA 0.170 nan 4.420 nan 0.000 0.240 47 P C -0.242 177.035 177.300 -0.038 0.000 1.190 47 P CA 0.350 63.435 63.100 -0.026 0.000 0.781 47 P CB 0.216 31.907 31.700 -0.016 0.000 0.931 48 L N 0.126 121.322 121.223 -0.045 0.000 2.342 48 L HA 0.415 4.756 4.340 0.003 0.000 0.271 48 L C 0.084 176.911 176.870 -0.072 0.000 1.008 48 L CA -0.961 53.842 54.840 -0.062 0.000 0.818 48 L CB 1.800 43.826 42.059 -0.054 0.000 1.296 48 L HN -0.296 nan 8.230 nan 0.000 0.427 49 D N 1.811 122.153 120.400 -0.096 0.000 2.304 49 D HA 0.333 4.974 4.640 0.003 0.000 0.250 49 D C -0.751 175.491 176.300 -0.096 0.000 1.107 49 D CA 0.073 54.015 54.000 -0.097 0.000 0.885 49 D CB 2.274 43.000 40.800 -0.122 0.000 1.192 49 D HN 0.005 nan 8.370 nan 0.000 0.436 50 V N 5.207 125.080 119.914 -0.068 0.000 2.443 50 V HA 0.279 4.401 4.120 0.003 0.000 0.293 50 V C -2.094 173.979 176.094 -0.035 0.000 1.021 50 V CA -1.535 60.735 62.300 -0.050 0.000 0.848 50 V CB 2.076 33.877 31.823 -0.037 0.000 0.998 50 V HN 0.411 nan 8.190 nan 0.000 0.424 51 P HA 0.187 nan 4.420 nan 0.000 0.275 51 P C 0.770 178.023 177.300 -0.079 0.000 1.266 51 P CA -0.051 63.036 63.100 -0.021 0.000 0.793 51 P CB 1.165 32.879 31.700 0.024 0.000 1.074 52 G N -1.012 107.703 108.800 -0.142 0.000 3.042 52 G HA2 0.233 4.195 3.960 0.003 0.000 0.212 52 G HA3 0.233 4.195 3.960 0.003 0.000 0.212 52 G C -0.209 174.229 174.900 -0.770 0.000 1.166 52 G CA 0.058 44.900 45.100 -0.430 0.000 0.767 52 G HN 0.405 nan 8.290 nan 0.000 0.546 53 F N -0.414 119.541 119.950 0.009 0.000 2.650 53 F HA 0.244 4.773 4.527 0.003 0.000 0.310 53 F C -1.105 174.701 175.800 0.010 0.000 1.112 53 F CA -1.399 56.608 58.000 0.012 0.000 0.986 53 F CB 1.677 40.684 39.000 0.013 0.000 1.285 53 F HN -0.244 nan 8.300 nan 0.000 0.440 54 D N 2.519 123.058 120.400 0.230 0.000 2.531 54 D HA 0.134 4.776 4.640 0.003 0.000 0.239 54 D C -0.558 175.813 176.300 0.117 0.000 1.144 54 D CA 0.971 55.052 54.000 0.135 0.000 0.869 54 D CB 0.198 41.065 40.800 0.112 0.000 1.160 54 D HN 0.640 nan 8.370 nan 0.000 0.484 55 N N -1.080 117.666 118.700 0.076 0.000 2.525 55 N HA 0.337 5.079 4.740 0.003 0.000 0.270 55 N C -1.220 174.300 175.510 0.016 0.000 1.321 55 N CA -1.013 52.065 53.050 0.046 0.000 0.797 55 N CB 1.407 39.931 38.487 0.062 0.000 1.529 55 N HN 0.063 nan 8.380 nan 0.000 0.491 56 S N -0.526 115.168 115.700 -0.011 0.000 2.528 56 S HA 0.441 4.913 4.470 0.003 0.000 0.277 56 S C 1.043 175.632 174.600 -0.017 0.000 1.297 56 S CA -0.165 58.020 58.200 -0.026 0.000 1.052 56 S CB 0.178 63.338 63.200 -0.067 0.000 0.917 56 S HN 0.741 nan 8.310 nan 0.000 0.492 57 A N 5.354 128.169 122.820 -0.009 0.000 2.066 57 A HA 0.235 4.557 4.320 0.003 0.000 0.218 57 A C 0.909 178.484 177.584 -0.016 0.000 1.157 57 A CA 0.978 53.012 52.037 -0.005 0.000 0.670 57 A CB -0.435 18.567 19.000 0.003 0.000 0.804 57 A HN 0.940 nan 8.150 nan 0.000 0.453 58 M N -3.013 116.569 119.600 -0.030 0.000 2.880 58 M HA 0.489 4.971 4.480 0.003 0.000 0.269 58 M C -2.281 173.969 176.300 -0.084 0.000 1.248 58 M CA -0.817 54.456 55.300 -0.044 0.000 0.821 58 M CB 0.696 33.281 32.600 -0.025 0.000 1.650 58 M HN -0.113 nan 8.290 nan 0.000 0.479 59 D N 0.830 121.171 120.400 -0.098 0.000 2.339 59 D HA 0.653 5.295 4.640 0.003 0.000 0.256 59 D C 0.335 176.527 176.300 -0.181 0.000 1.214 59 D CA 1.313 55.217 54.000 -0.160 0.000 0.877 59 D CB 1.209 41.929 40.800 -0.134 0.000 1.111 59 D HN 0.895 nan 8.370 nan 0.000 0.478 60 G N 1.595 110.213 108.800 -0.303 0.000 2.600 60 G HA2 0.142 4.104 3.960 0.003 0.000 0.072 60 G HA3 0.142 4.104 3.960 0.003 0.000 0.072 60 G C -1.653 172.813 174.900 -0.723 0.000 1.051 60 G CA -0.567 44.295 45.100 -0.397 0.000 1.230 60 G HN 0.372 nan 8.290 nan 0.000 0.547 61 Y N 0.662 120.983 120.300 0.034 0.000 2.433 61 Y HA 0.694 5.245 4.550 0.003 0.000 0.337 61 Y C 0.339 176.266 175.900 0.046 0.000 1.026 61 Y CA -0.322 57.815 58.100 0.062 0.000 1.037 61 Y CB 2.333 40.951 38.460 0.263 0.000 1.245 61 Y HN 0.764 nan 8.280 nan 0.000 0.443 62 A N 2.852 125.713 122.820 0.069 0.000 2.331 62 A HA 0.822 5.144 4.320 0.003 0.000 0.283 62 A C -0.331 177.348 177.584 0.157 0.000 1.142 62 A CA -0.258 51.795 52.037 0.028 0.000 0.812 62 A CB 0.309 19.211 19.000 -0.163 0.000 1.074 62 A HN 1.022 nan 8.150 nan 0.000 0.497 63 V N 0.200 120.248 119.914 0.224 0.000 3.232 63 V HA 0.776 4.898 4.120 0.003 0.000 0.303 63 V C -0.750 175.452 176.094 0.179 0.000 1.311 63 V CA -1.349 61.093 62.300 0.236 0.000 1.061 63 V CB 1.678 33.403 31.823 -0.163 0.000 1.085 63 V HN 0.949 nan 8.190 nan 0.000 0.447 64 R N 0.691 121.200 120.500 0.015 0.000 2.532 64 R HA 0.603 4.945 4.340 0.003 0.000 0.295 64 R C 0.411 176.652 176.300 -0.098 0.000 0.968 64 R CA -0.812 55.239 56.100 -0.082 0.000 0.916 64 R CB 1.676 31.841 30.300 -0.224 0.000 1.124 64 R HN 0.702 nan 8.270 nan 0.000 0.463 65 L N 2.401 123.579 121.223 -0.074 0.000 2.127 65 L HA -0.222 4.120 4.340 0.003 0.000 0.211 65 L C 2.135 178.958 176.870 -0.079 0.000 1.089 65 L CA 2.110 56.908 54.840 -0.069 0.000 0.757 65 L CB -0.535 41.498 42.059 -0.044 0.000 0.899 65 L HN 0.953 nan 8.230 nan 0.000 0.434 66 A N -0.666 122.101 122.820 -0.087 0.000 1.845 66 A HA -0.225 4.096 4.320 0.003 0.000 0.215 66 A C 1.922 179.451 177.584 -0.092 0.000 1.195 66 A CA 1.844 53.831 52.037 -0.084 0.000 0.616 66 A CB -0.846 18.099 19.000 -0.093 0.000 0.832 66 A HN 0.434 nan 8.150 nan 0.000 0.443 67 D N 0.038 120.367 120.400 -0.117 0.000 2.357 67 D HA -0.125 4.517 4.640 0.003 0.000 0.216 67 D C 1.514 177.743 176.300 -0.118 0.000 0.973 67 D CA 0.693 54.626 54.000 -0.111 0.000 0.912 67 D CB -0.194 40.532 40.800 -0.123 0.000 0.900 67 D HN 0.362 nan 8.370 nan 0.000 0.501 68 I N 0.413 120.902 120.570 -0.134 0.000 2.852 68 I HA -0.010 4.162 4.170 0.003 0.000 0.264 68 I C 2.370 178.456 176.117 -0.052 0.000 1.179 68 I CA 0.210 61.437 61.300 -0.120 0.000 1.480 68 I CB -1.108 36.807 38.000 -0.141 0.000 1.111 68 I HN -0.122 nan 8.210 nan 0.000 0.441 69 A N 0.977 123.768 122.820 -0.048 0.000 1.902 69 A HA -0.247 4.074 4.320 0.003 0.000 0.217 69 A C 2.529 180.100 177.584 -0.021 0.000 1.181 69 A CA 2.151 54.170 52.037 -0.029 0.000 0.623 69 A CB -0.962 18.019 19.000 -0.032 0.000 0.818 69 A HN 0.467 nan 8.150 nan 0.000 0.443 70 S N -0.909 114.774 115.700 -0.029 0.000 2.434 70 S HA -0.087 4.384 4.470 0.003 0.000 0.243 70 S C 1.895 176.494 174.600 -0.002 0.000 1.045 70 S CA 2.340 60.529 58.200 -0.018 0.000 1.019 70 S CB -0.952 62.233 63.200 -0.024 0.000 0.811 70 S HN 2.199 nan 8.310 nan 0.000 0.485 71 G N -0.127 108.677 108.800 0.007 0.000 2.328 71 G HA2 -0.280 3.682 3.960 0.003 0.000 0.256 71 G HA3 -0.280 3.682 3.960 0.003 0.000 0.256 71 G C 0.058 174.976 174.900 0.031 0.000 1.014 71 G CA 0.612 45.724 45.100 0.020 0.000 0.620 71 G HN 0.673 nan 8.290 nan 0.000 0.530 72 Q N 1.228 121.046 119.800 0.029 0.000 2.227 72 Q HA 0.391 4.733 4.340 0.003 0.000 0.245 72 Q C -2.354 173.678 176.000 0.055 0.000 0.926 72 Q CA -1.691 54.130 55.803 0.031 0.000 0.895 72 Q CB 1.438 30.187 28.738 0.019 0.000 1.230 72 Q HN 0.255 nan 8.270 nan 0.000 0.450 73 P HA 0.015 nan 4.420 nan 0.000 0.260 73 P C -0.782 176.547 177.300 0.048 0.000 1.207 73 P CA 0.500 63.621 63.100 0.036 0.000 0.780 73 P CB -0.073 31.626 31.700 -0.001 0.000 0.789 74 L N 6.639 127.919 121.223 0.094 0.000 2.260 74 L HA 0.413 4.755 4.340 0.003 0.000 0.289 74 L C -2.031 174.882 176.870 0.071 0.000 1.057 74 L CA -2.409 52.489 54.840 0.096 0.000 0.811 74 L CB 0.728 42.872 42.059 0.141 0.000 1.184 74 L HN 0.153 nan 8.230 nan 0.000 0.429 75 P HA 0.107 nan 4.420 nan 0.000 0.276 75 P C -0.539 176.797 177.300 0.061 0.000 1.261 75 P CA -0.607 62.515 63.100 0.036 0.000 0.800 75 P CB 0.924 32.645 31.700 0.035 0.000 1.066 76 V N -1.363 118.580 119.914 0.048 0.000 2.439 76 V HA 0.379 4.501 4.120 0.003 0.000 0.271 76 V C 1.235 177.347 176.094 0.030 0.000 1.040 76 V CA 0.443 62.772 62.300 0.049 0.000 1.002 76 V CB -0.333 31.529 31.823 0.065 0.000 1.000 76 V HN 0.660 nan 8.190 nan 0.000 0.477 77 A N 4.063 126.893 122.820 0.017 0.000 1.968 77 A HA 0.541 4.862 4.320 0.003 0.000 0.217 77 A C 1.463 179.016 177.584 -0.051 0.000 1.169 77 A CA 1.371 53.429 52.037 0.036 0.000 0.638 77 A CB -0.493 18.587 19.000 0.132 0.000 0.812 77 A HN 1.751 nan 8.150 nan 0.000 0.446 78 G N -1.565 107.064 108.800 -0.284 0.000 2.529 78 G HA2 0.464 4.426 3.960 0.003 0.000 0.238 78 G HA3 0.464 4.426 3.960 0.003 0.000 0.238 78 G C -1.477 173.175 174.900 -0.414 0.000 1.207 78 G CA 0.086 44.979 45.100 -0.344 0.000 0.928 78 G HN 0.573 nan 8.290 nan 0.000 0.495 79 K N -0.424 119.730 120.400 -0.410 0.000 2.523 79 K HA 0.705 5.027 4.320 0.003 0.000 0.257 79 K C -1.245 175.252 176.600 -0.171 0.000 0.932 79 K CA -0.258 55.867 56.287 -0.270 0.000 0.812 79 K CB 2.040 34.485 32.500 -0.092 0.000 1.326 79 K HN 0.788 nan 8.250 nan 0.000 0.433 80 S N 3.499 119.055 115.700 -0.240 0.000 2.501 80 S HA 0.779 5.250 4.470 0.003 0.000 0.301 80 S C -1.440 173.034 174.600 -0.209 0.000 1.096 80 S CA -0.554 57.570 58.200 -0.126 0.000 1.063 80 S CB 0.303 63.413 63.200 -0.149 0.000 1.042 80 S HN 0.431 nan 8.310 nan 0.000 0.494 81 F N 1.686 121.584 119.950 -0.087 0.000 2.588 81 F HA 0.638 5.167 4.527 0.003 0.000 0.314 81 F C 1.052 176.814 175.800 -0.063 0.000 1.069 81 F CA -0.542 57.413 58.000 -0.074 0.000 0.931 81 F CB 1.776 40.737 39.000 -0.065 0.000 1.260 81 F HN 0.725 nan 8.300 nan 0.000 0.465 82 A N 1.756 124.746 122.820 0.283 0.000 2.024 82 A HA 0.036 4.358 4.320 0.003 0.000 0.220 82 A C 1.644 179.295 177.584 0.111 0.000 1.164 82 A CA 1.888 54.014 52.037 0.149 0.000 0.643 82 A CB -1.018 18.064 19.000 0.136 0.000 0.806 82 A HN 0.917 nan 8.150 nan 0.000 0.451 83 G N -1.871 106.994 108.800 0.109 0.000 3.993 83 G HA2 0.455 4.417 3.960 0.003 0.000 0.294 83 G HA3 0.455 4.417 3.960 0.003 0.000 0.294 83 G C -0.049 174.852 174.900 0.001 0.000 1.043 83 G CA 0.433 45.551 45.100 0.031 0.000 0.839 83 G HN 0.421 nan 8.290 nan 0.000 0.516 84 Q N 0.403 120.219 119.800 0.027 0.000 3.405 84 Q HA 0.136 4.478 4.340 0.003 0.000 0.184 84 Q C -3.058 172.931 176.000 -0.019 0.000 0.784 84 Q CA -0.890 54.903 55.803 -0.016 0.000 0.963 84 Q CB 2.046 30.764 28.738 -0.035 0.000 1.539 84 Q HN 0.093 nan 8.270 nan 0.000 0.486 85 P HA -0.058 nan 4.420 nan 0.000 0.272 85 P C -1.149 176.055 177.300 -0.161 0.000 1.243 85 P CA 0.144 63.170 63.100 -0.123 0.000 0.803 85 P CB 0.302 31.889 31.700 -0.188 0.000 0.974 86 Y N 1.238 121.398 120.300 -0.233 0.000 2.352 86 Y HA 0.358 4.910 4.550 0.003 0.000 0.326 86 Y C 0.664 176.507 175.900 -0.094 0.000 1.166 86 Y CA -0.328 57.638 58.100 -0.223 0.000 1.182 86 Y CB 0.783 39.150 38.460 -0.155 0.000 1.216 86 Y HN 0.473 nan 8.280 nan 0.000 0.474 87 H N 2.463 120.985 119.070 -0.914 0.000 2.779 87 H HA 0.563 5.121 4.556 0.003 0.000 0.230 87 H C -0.262 174.665 175.328 -0.669 0.000 1.365 87 H CA -1.021 54.685 56.048 -0.569 0.000 1.086 87 H CB -0.121 29.460 29.762 -0.302 0.000 2.038 87 H HN 0.726 nan 8.280 nan 0.000 0.558 88 G N 0.270 108.605 108.800 -0.775 0.000 3.166 88 G HA2 0.386 4.348 3.960 0.003 0.000 0.267 88 G HA3 0.386 4.348 3.960 0.003 0.000 0.267 88 G C 0.021 174.952 174.900 0.053 0.000 1.256 88 G CA -0.619 44.239 45.100 -0.402 0.000 0.859 88 G HN 0.173 nan 8.290 nan 0.000 0.590 89 E N -1.572 118.758 120.200 0.217 0.000 2.014 89 E HA 0.071 4.423 4.350 0.003 0.000 0.190 89 E C 0.451 177.270 176.600 0.364 0.000 0.980 89 E CA 0.256 56.791 56.400 0.225 0.000 0.807 89 E CB -0.012 29.793 29.700 0.174 0.000 0.770 89 E HN 0.394 nan 8.360 nan 0.000 0.451 90 W N 2.272 123.687 121.300 0.191 0.000 5.238 90 W HA -0.125 4.537 4.660 0.003 0.000 0.433 90 W C -2.097 174.462 176.519 0.067 0.000 1.744 90 W CA -0.198 57.222 57.345 0.124 0.000 0.878 90 W CB -1.722 27.817 29.460 0.132 0.000 2.931 90 W HN 0.178 nan 8.180 nan 0.000 1.147 91 P HA 0.243 nan 4.420 nan 0.000 0.219 91 P C 0.978 178.233 177.300 -0.076 0.000 1.231 91 P CA 2.880 66.010 63.100 0.049 0.000 0.673 91 P CB 0.027 31.774 31.700 0.079 0.000 0.768 92 A N -1.706 121.090 122.820 -0.041 0.000 1.949 92 A HA 0.411 4.732 4.320 0.003 0.000 0.200 92 A C 1.720 179.272 177.584 -0.053 0.000 1.832 92 A CA 0.695 52.682 52.037 -0.085 0.000 1.004 92 A CB -0.856 18.111 19.000 -0.055 0.000 1.102 92 A HN 0.360 nan 8.150 nan 0.000 0.595 93 G N 1.597 110.396 108.800 -0.002 0.000 3.639 93 G HA2 0.442 4.404 3.960 0.003 0.000 0.279 93 G HA3 0.442 4.404 3.960 0.003 0.000 0.279 93 G C 0.188 175.128 174.900 0.066 0.000 1.312 93 G CA 0.760 45.872 45.100 0.019 0.000 1.355 93 G HN 0.686 nan 8.290 nan 0.000 0.595 94 T N -2.492 112.128 114.554 0.111 0.000 2.901 94 T HA 0.628 4.979 4.350 0.003 0.000 0.293 94 T C -0.244 174.674 174.700 0.364 0.000 1.084 94 T CA -0.861 61.368 62.100 0.215 0.000 1.008 94 T CB 1.856 70.894 68.868 0.283 0.000 1.170 94 T HN 0.608 nan 8.240 nan 0.000 0.509 95 C N 0.649 120.136 119.300 0.311 0.000 2.898 95 C HA 0.848 5.310 4.460 0.003 0.000 0.304 95 C C -0.824 174.192 174.990 0.044 0.000 1.237 95 C CA -1.138 58.064 59.018 0.306 0.000 1.529 95 C CB 0.462 28.369 27.740 0.279 0.000 2.021 95 C HN 0.893 nan 8.230 nan 0.000 0.474 96 I N 2.999 123.439 120.570 -0.217 0.000 2.321 96 I HA 0.395 4.567 4.170 0.003 0.000 0.291 96 I C 0.481 176.478 176.117 -0.201 0.000 0.998 96 I CA -0.088 60.939 61.300 -0.455 0.000 1.227 96 I CB 1.053 38.482 38.000 -0.952 0.000 1.368 96 I HN 0.760 nan 8.210 nan 0.000 0.466 97 R N 6.509 126.903 120.500 -0.177 0.000 2.421 97 R HA 0.366 4.708 4.340 0.003 0.000 0.305 97 R C -0.894 175.174 176.300 -0.388 0.000 1.039 97 R CA 0.183 56.126 56.100 -0.263 0.000 1.003 97 R CB 0.141 30.328 30.300 -0.189 0.000 0.959 97 R HN 0.679 nan 8.270 nan 0.000 0.427 98 I N 4.072 124.379 120.570 -0.438 0.000 2.865 98 I HA 0.364 4.536 4.170 0.003 0.000 0.302 98 I C -0.813 175.060 176.117 -0.407 0.000 1.140 98 I CA -0.881 60.184 61.300 -0.391 0.000 1.021 98 I CB 1.939 39.772 38.000 -0.279 0.000 1.233 98 I HN 0.406 nan 8.210 nan 0.000 0.427 99 M N 3.255 122.610 119.600 -0.408 0.000 2.664 99 M HA 0.368 4.849 4.480 0.003 0.000 0.314 99 M C -0.155 176.032 176.300 -0.189 0.000 1.200 99 M CA -0.653 54.441 55.300 -0.343 0.000 0.916 99 M CB 1.644 33.943 32.600 -0.502 0.000 1.717 99 M HN 0.505 nan 8.290 nan 0.000 0.470 100 T N 1.523 116.005 114.554 -0.120 0.000 2.946 100 T HA 0.208 4.560 4.350 0.003 0.000 0.312 100 T C 1.224 175.906 174.700 -0.029 0.000 1.066 100 T CA 1.594 63.657 62.100 -0.060 0.000 1.138 100 T CB 0.209 69.055 68.868 -0.036 0.000 1.014 100 T HN 0.976 nan 8.240 nan 0.000 0.544 101 G N 1.547 110.340 108.800 -0.012 0.000 2.216 101 G HA2 -0.195 3.767 3.960 0.003 0.000 0.269 101 G HA3 -0.195 3.767 3.960 0.003 0.000 0.269 101 G C 0.337 175.248 174.900 0.018 0.000 0.981 101 G CA 0.283 45.390 45.100 0.013 0.000 0.658 101 G HN 1.238 nan 8.290 nan 0.000 0.539 102 A N 0.852 123.663 122.820 -0.015 0.000 2.388 102 A HA 0.654 4.975 4.320 0.003 0.000 0.257 102 A C -1.481 176.084 177.584 -0.031 0.000 1.095 102 A CA -0.934 51.089 52.037 -0.025 0.000 0.791 102 A CB 0.470 19.415 19.000 -0.092 0.000 1.029 102 A HN 0.182 nan 8.150 nan 0.000 0.489 103 P HA 0.142 nan 4.420 nan 0.000 0.264 103 P C 0.118 177.378 177.300 -0.066 0.000 1.193 103 P CA 0.113 63.182 63.100 -0.053 0.000 0.763 103 P CB 0.264 31.863 31.700 -0.169 0.000 0.810 104 V N 2.665 122.560 119.914 -0.032 0.000 2.637 104 V HA 0.309 4.431 4.120 0.003 0.000 0.296 104 V C -1.928 174.147 176.094 -0.033 0.000 1.046 104 V CA -1.732 60.544 62.300 -0.040 0.000 1.066 104 V CB -0.296 31.536 31.823 0.015 0.000 0.968 104 V HN 0.443 nan 8.190 nan 0.000 0.483 105 P HA 0.155 nan 4.420 nan 0.000 0.269 105 P C -0.358 177.045 177.300 0.171 0.000 1.215 105 P CA -0.271 62.826 63.100 -0.004 0.000 0.780 105 P CB 0.262 31.831 31.700 -0.220 0.000 0.898 106 E N 0.604 120.929 120.200 0.208 0.000 3.379 106 E HA 0.116 4.467 4.350 0.003 0.000 0.257 106 E C 1.168 177.970 176.600 0.336 0.000 0.882 106 E CA 0.675 57.217 56.400 0.236 0.000 0.962 106 E CB -1.571 28.247 29.700 0.198 0.000 0.900 106 E HN 0.821 nan 8.360 nan 0.000 0.560 107 G N 2.268 111.197 108.800 0.216 0.000 2.160 107 G HA2 -0.388 3.574 3.960 0.003 0.000 0.251 107 G HA3 -0.388 3.574 3.960 0.003 0.000 0.251 107 G C 0.323 175.343 174.900 0.200 0.000 1.008 107 G CA -0.138 45.050 45.100 0.146 0.000 0.724 107 G HN 1.026 nan 8.290 nan 0.000 0.514 108 C N -0.204 119.308 119.300 0.352 0.000 2.601 108 C HA 0.664 5.126 4.460 0.003 0.000 0.409 108 C C 1.524 176.619 174.990 0.175 0.000 1.293 108 C CA 0.389 59.639 59.018 0.386 0.000 2.101 108 C CB 0.528 28.458 27.740 0.316 0.000 2.639 108 C HN 0.575 nan 8.230 nan 0.000 0.592 109 E N 2.642 122.920 120.200 0.130 0.000 2.465 109 E HA 0.388 4.740 4.350 0.003 0.000 0.209 109 E C 0.306 176.937 176.600 0.053 0.000 0.951 109 E CA 0.346 56.784 56.400 0.063 0.000 0.997 109 E CB 0.748 30.462 29.700 0.023 0.000 1.025 109 E HN 0.833 nan 8.360 nan 0.000 0.500 110 A N 0.479 123.339 122.820 0.067 0.000 2.586 110 A HA 0.568 4.890 4.320 0.003 0.000 0.290 110 A C -1.577 176.043 177.584 0.060 0.000 1.086 110 A CA -0.577 51.491 52.037 0.050 0.000 0.665 110 A CB 1.488 20.506 19.000 0.030 0.000 1.279 110 A HN -0.037 nan 8.150 nan 0.000 0.423 111 V N 0.661 120.607 119.914 0.053 0.000 2.540 111 V HA 0.565 4.687 4.120 0.003 0.000 0.302 111 V C -0.587 175.563 176.094 0.094 0.000 1.035 111 V CA -0.535 61.802 62.300 0.063 0.000 0.873 111 V CB 1.638 33.476 31.823 0.025 0.000 0.992 111 V HN 0.746 nan 8.190 nan 0.000 0.428 112 V N 6.064 126.081 119.914 0.171 0.000 2.398 112 V HA 0.435 4.557 4.120 0.003 0.000 0.286 112 V C 0.358 176.576 176.094 0.207 0.000 1.026 112 V CA -0.590 61.852 62.300 0.236 0.000 0.868 112 V CB 1.599 33.690 31.823 0.446 0.000 0.982 112 V HN 0.971 nan 8.190 nan 0.000 0.443 113 M N 4.013 123.689 119.600 0.126 0.000 2.240 113 M HA 0.300 4.781 4.480 0.003 0.000 0.333 113 M C 1.225 177.581 176.300 0.093 0.000 1.110 113 M CA 0.010 55.352 55.300 0.070 0.000 1.173 113 M CB 0.531 33.153 32.600 0.036 0.000 1.458 113 M HN 0.782 nan 8.290 nan 0.000 0.458 114 Q N 1.421 121.251 119.800 0.050 0.000 2.226 114 Q HA -0.167 4.175 4.340 0.003 0.000 0.204 114 Q C 0.982 177.010 176.000 0.048 0.000 0.975 114 Q CA 1.727 57.582 55.803 0.087 0.000 0.866 114 Q CB -0.442 28.307 28.738 0.018 0.000 0.915 114 Q HN 0.893 nan 8.270 nan 0.000 0.440 115 E N 1.287 121.501 120.200 0.023 0.000 2.427 115 E HA -0.128 4.223 4.350 0.003 0.000 0.196 115 E C 0.772 177.373 176.600 0.002 0.000 1.028 115 E CA 0.465 56.869 56.400 0.007 0.000 0.864 115 E CB -0.123 29.580 29.700 0.004 0.000 0.813 115 E HN 0.608 nan 8.360 nan 0.000 0.514 116 Q N 1.442 121.252 119.800 0.016 0.000 2.225 116 Q HA 0.104 4.446 4.340 0.003 0.000 0.222 116 Q C 0.009 175.975 176.000 -0.057 0.000 0.887 116 Q CA 0.261 56.071 55.803 0.012 0.000 0.958 116 Q CB 0.273 29.049 28.738 0.063 0.000 1.058 116 Q HN 0.311 nan 8.270 nan 0.000 0.459 117 T N -3.091 111.391 114.554 -0.121 0.000 2.864 117 T HA 0.553 4.905 4.350 0.003 0.000 0.299 117 T C -0.867 173.712 174.700 -0.202 0.000 1.166 117 T CA -0.964 60.958 62.100 -0.297 0.000 1.007 117 T CB 2.417 70.992 68.868 -0.488 0.000 1.219 117 T HN 0.029 nan 8.240 nan 0.000 0.506 118 E N 1.074 121.127 120.200 -0.246 0.000 2.256 118 E HA 0.271 4.622 4.350 0.003 0.000 0.268 118 E C -1.036 175.458 176.600 -0.177 0.000 0.877 118 E CA -0.881 55.425 56.400 -0.157 0.000 0.757 118 E CB 2.150 31.783 29.700 -0.112 0.000 1.183 118 E HN 0.629 nan 8.360 nan 0.000 0.418 119 Q N 5.045 124.774 119.800 -0.120 0.000 2.406 119 Q HA 0.190 4.531 4.340 0.003 0.000 0.242 119 Q C -0.790 175.165 176.000 -0.075 0.000 1.036 119 Q CA -0.323 55.416 55.803 -0.107 0.000 0.904 119 Q CB 0.662 29.366 28.738 -0.057 0.000 1.244 119 Q HN 0.565 nan 8.270 nan 0.000 0.478 120 M N 2.913 122.466 119.600 -0.079 0.000 2.198 120 M HA -0.033 4.449 4.480 0.003 0.000 0.315 120 M C 1.176 177.456 176.300 -0.032 0.000 1.134 120 M CA 0.465 55.735 55.300 -0.050 0.000 1.171 120 M CB 0.594 33.167 32.600 -0.045 0.000 1.413 120 M HN 0.602 nan 8.290 nan 0.000 0.467 121 D N 0.607 120.994 120.400 -0.022 0.000 2.315 121 D HA -0.222 4.420 4.640 0.003 0.000 0.211 121 D C 0.450 176.744 176.300 -0.009 0.000 0.977 121 D CA 1.569 55.561 54.000 -0.012 0.000 0.894 121 D CB -0.503 40.292 40.800 -0.009 0.000 0.910 121 D HN 0.751 nan 8.370 nan 0.000 0.490 122 N N -0.218 118.475 118.700 -0.012 0.000 2.200 122 N HA 0.096 4.838 4.740 0.003 0.000 0.233 122 N C 0.944 176.449 175.510 -0.008 0.000 1.236 122 N CA 0.371 53.418 53.050 -0.005 0.000 0.845 122 N CB 1.100 39.586 38.487 -0.002 0.000 1.257 122 N HN 0.233 nan 8.380 nan 0.000 0.472 123 G N 0.371 109.156 108.800 -0.025 0.000 2.896 123 G HA2 0.573 4.535 3.960 0.003 0.000 0.247 123 G HA3 0.573 4.535 3.960 0.003 0.000 0.247 123 G C -1.908 172.936 174.900 -0.094 0.000 1.187 123 G CA -0.264 44.814 45.100 -0.036 0.000 0.837 123 G HN -0.005 nan 8.290 nan 0.000 0.559 124 V N 0.652 120.490 119.914 -0.126 0.000 2.697 124 V HA 0.534 4.656 4.120 0.003 0.000 0.300 124 V C -0.463 175.466 176.094 -0.274 0.000 1.115 124 V CA -0.704 61.416 62.300 -0.300 0.000 0.912 124 V CB 1.675 33.161 31.823 -0.561 0.000 1.024 124 V HN 0.833 nan 8.190 nan 0.000 0.431 125 R N 3.945 124.255 120.500 -0.316 0.000 2.532 125 R HA 0.675 5.017 4.340 0.003 0.000 0.295 125 R C -1.763 174.322 176.300 -0.357 0.000 0.968 125 R CA -0.421 55.579 56.100 -0.167 0.000 0.916 125 R CB 1.260 31.512 30.300 -0.081 0.000 1.124 125 R HN 0.458 nan 8.270 nan 0.000 0.463 126 F N 2.073 121.990 119.950 -0.055 0.000 2.427 126 F HA 0.324 4.853 4.527 0.003 0.000 0.346 126 F C 1.093 176.883 175.800 -0.017 0.000 1.120 126 F CA -0.360 57.619 58.000 -0.034 0.000 1.033 126 F CB 2.299 41.285 39.000 -0.024 0.000 1.126 126 F HN 0.576 nan 8.300 nan 0.000 0.462 127 T N 1.779 116.393 114.554 0.099 0.000 3.207 127 T HA 0.264 4.616 4.350 0.003 0.000 0.229 127 T C 1.044 175.790 174.700 0.076 0.000 0.999 127 T CA 0.544 62.678 62.100 0.056 0.000 1.386 127 T CB -0.146 68.730 68.868 0.013 0.000 1.130 127 T HN 0.596 nan 8.240 nan 0.000 0.435 128 A N 1.644 124.508 122.820 0.073 0.000 2.521 128 A HA 0.246 4.568 4.320 0.003 0.000 0.237 128 A C 0.339 177.967 177.584 0.073 0.000 1.087 128 A CA -0.200 51.876 52.037 0.065 0.000 0.777 128 A CB -0.150 18.886 19.000 0.060 0.000 1.035 128 A HN 0.463 nan 8.150 nan 0.000 0.510 129 E N -0.758 119.473 120.200 0.050 0.000 2.398 129 E HA 0.342 4.694 4.350 0.003 0.000 0.263 129 E C -0.333 176.294 176.600 0.045 0.000 1.046 129 E CA 0.419 56.844 56.400 0.041 0.000 0.908 129 E CB 0.872 30.588 29.700 0.026 0.000 0.963 129 E HN 1.030 nan 8.360 nan 0.000 0.431 130 V N 3.284 123.217 119.914 0.032 0.000 2.409 130 V HA 0.624 4.746 4.120 0.003 0.000 0.291 130 V C -0.181 175.920 176.094 0.013 0.000 1.020 130 V CA -0.759 61.556 62.300 0.026 0.000 0.848 130 V CB 1.334 33.163 31.823 0.011 0.000 0.990 130 V HN 0.634 nan 8.190 nan 0.000 0.430 131 R N 3.101 123.611 120.500 0.017 0.000 2.603 131 R HA 0.515 4.857 4.340 0.003 0.000 0.231 131 R C 1.343 177.650 176.300 0.012 0.000 1.263 131 R CA -0.141 55.966 56.100 0.012 0.000 1.102 131 R CB 0.305 30.613 30.300 0.014 0.000 1.527 131 R HN 0.748 nan 8.270 nan 0.000 0.554 132 S N -0.168 115.538 115.700 0.011 0.000 2.404 132 S HA -0.098 4.374 4.470 0.003 0.000 0.216 132 S C 1.299 175.909 174.600 0.017 0.000 1.039 132 S CA 1.687 59.893 58.200 0.011 0.000 1.062 132 S CB -0.547 62.659 63.200 0.010 0.000 1.046 132 S HN 0.758 nan 8.310 nan 0.000 0.415 133 G N 1.950 110.762 108.800 0.019 0.000 4.486 133 G HA2 0.368 4.329 3.960 0.003 0.000 0.306 133 G HA3 0.368 4.329 3.960 0.003 0.000 0.306 133 G C -0.273 174.642 174.900 0.025 0.000 1.331 133 G CA -0.508 44.607 45.100 0.025 0.000 1.113 133 G HN 0.694 nan 8.290 nan 0.000 0.594 134 Q N -0.474 119.341 119.800 0.025 0.000 2.300 134 Q HA 0.170 4.512 4.340 0.003 0.000 0.280 134 Q C 0.225 176.242 176.000 0.029 0.000 1.033 134 Q CA 0.039 55.858 55.803 0.026 0.000 0.903 134 Q CB 0.198 28.953 28.738 0.030 0.000 1.195 134 Q HN 0.303 nan 8.270 nan 0.000 0.386 135 N N 1.159 119.873 118.700 0.024 0.000 2.725 135 N HA -0.195 4.547 4.740 0.003 0.000 0.249 135 N C -1.372 174.148 175.510 0.018 0.000 1.103 135 N CA 0.764 53.825 53.050 0.019 0.000 0.707 135 N CB -1.224 37.275 38.487 0.021 0.000 1.043 135 N HN 0.611 nan 8.380 nan 0.000 0.553 136 I N 0.718 121.301 120.570 0.022 0.000 2.382 136 I HA 0.141 4.313 4.170 0.003 0.000 0.285 136 I C 0.266 176.398 176.117 0.025 0.000 1.007 136 I CA -0.560 60.755 61.300 0.025 0.000 1.142 136 I CB 1.488 39.508 38.000 0.034 0.000 1.289 136 I HN 0.075 nan 8.210 nan 0.000 0.453 137 Q N 5.754 125.568 119.800 0.024 0.000 2.281 137 Q HA 0.205 4.547 4.340 0.003 0.000 0.267 137 Q C -0.557 175.464 176.000 0.035 0.000 1.053 137 Q CA -0.275 55.543 55.803 0.025 0.000 0.905 137 Q CB 0.553 29.306 28.738 0.025 0.000 1.195 137 Q HN 0.346 nan 8.270 nan 0.000 0.398 138 R N 2.554 123.071 120.500 0.028 0.000 2.410 138 R HA 0.188 4.530 4.340 0.003 0.000 0.288 138 R C -0.272 176.043 176.300 0.025 0.000 1.051 138 R CA -0.604 55.515 56.100 0.032 0.000 1.021 138 R CB 0.524 30.838 30.300 0.023 0.000 1.032 138 R HN 0.641 nan 8.270 nan 0.000 0.481 139 R N 0.773 121.293 120.500 0.032 0.000 2.486 139 R HA -0.114 4.228 4.340 0.003 0.000 0.304 139 R C 0.622 176.909 176.300 -0.022 0.000 0.913 139 R CA 1.709 57.808 56.100 -0.002 0.000 1.124 139 R CB -0.299 29.998 30.300 -0.004 0.000 0.891 139 R HN 0.923 nan 8.270 nan 0.000 0.410 140 G N 3.405 112.182 108.800 -0.038 0.000 2.143 140 G HA2 -0.339 3.623 3.960 0.003 0.000 0.248 140 G HA3 -0.339 3.623 3.960 0.003 0.000 0.248 140 G C 0.192 175.075 174.900 -0.029 0.000 0.991 140 G CA 0.531 45.606 45.100 -0.041 0.000 0.689 140 G HN 0.861 nan 8.290 nan 0.000 0.522 141 E N 0.082 120.271 120.200 -0.018 0.000 2.322 141 E HA 0.314 4.666 4.350 0.003 0.000 0.195 141 E C 0.836 177.425 176.600 -0.018 0.000 1.198 141 E CA 0.667 57.059 56.400 -0.014 0.000 1.132 141 E CB -0.021 29.677 29.700 -0.004 0.000 1.213 141 E HN 0.511 nan 8.360 nan 0.000 0.450 142 D N 0.297 120.680 120.400 -0.028 0.000 2.430 142 D HA 0.032 4.674 4.640 0.003 0.000 0.101 142 D C 0.341 176.610 176.300 -0.051 0.000 1.480 142 D CA -0.366 53.613 54.000 -0.035 0.000 1.375 142 D CB -0.421 40.362 40.800 -0.029 0.000 2.356 142 D HN 0.107 nan 8.370 nan 0.000 0.215 143 I N 2.018 122.556 120.570 -0.054 0.000 2.329 143 I HA 0.196 4.368 4.170 0.003 0.000 0.295 143 I C 0.327 176.408 176.117 -0.059 0.000 1.109 143 I CA -0.016 61.243 61.300 -0.067 0.000 1.297 143 I CB 0.708 38.666 38.000 -0.070 0.000 1.433 143 I HN 0.007 nan 8.210 nan 0.000 0.509 144 S N 5.580 121.245 115.700 -0.059 0.000 2.513 144 S HA 0.575 5.047 4.470 0.003 0.000 0.276 144 S C 0.351 174.919 174.600 -0.054 0.000 1.254 144 S CA -0.801 57.368 58.200 -0.052 0.000 1.053 144 S CB 0.742 63.916 63.200 -0.044 0.000 0.958 144 S HN 0.655 nan 8.310 nan 0.000 0.491 145 A N 3.608 126.397 122.820 -0.052 0.000 2.511 145 A HA 0.499 4.821 4.320 0.003 0.000 0.242 145 A C 1.566 179.127 177.584 -0.039 0.000 1.069 145 A CA 0.306 52.315 52.037 -0.048 0.000 0.763 145 A CB -1.005 17.965 19.000 -0.051 0.000 1.001 145 A HN 2.167 nan 8.150 nan 0.000 0.498 146 G N 0.548 109.327 108.800 -0.036 0.000 2.189 146 G HA2 0.084 4.045 3.960 0.003 0.000 0.267 146 G HA3 0.084 4.045 3.960 0.003 0.000 0.267 146 G C 0.629 175.508 174.900 -0.034 0.000 0.975 146 G CA 0.814 45.896 45.100 -0.030 0.000 0.644 146 G HN 2.176 nan 8.290 nan 0.000 0.537 147 A N -0.510 122.284 122.820 -0.045 0.000 2.286 147 A HA 0.735 5.057 4.320 0.003 0.000 0.286 147 A C 0.507 178.051 177.584 -0.066 0.000 1.097 147 A CA 0.111 52.116 52.037 -0.053 0.000 0.821 147 A CB 1.245 20.208 19.000 -0.061 0.000 1.076 147 A HN 1.059 nan 8.150 nan 0.000 0.490 148 V N 2.785 122.658 119.914 -0.067 0.000 2.427 148 V HA 0.101 4.222 4.120 0.003 0.000 0.268 148 V C 1.149 177.154 176.094 -0.149 0.000 1.046 148 V CA 0.047 62.302 62.300 -0.076 0.000 0.970 148 V CB 0.829 32.624 31.823 -0.046 0.000 1.001 148 V HN 0.712 nan 8.190 nan 0.000 0.476 149 V N 5.187 124.967 119.914 -0.223 0.000 2.379 149 V HA 0.130 4.252 4.120 0.003 0.000 0.243 149 V C 0.350 175.963 176.094 -0.802 0.000 1.035 149 V CA 1.265 63.254 62.300 -0.518 0.000 1.035 149 V CB -0.325 31.166 31.823 -0.552 0.000 0.673 149 V HN 0.655 nan 8.190 nan 0.000 0.457 150 F N 0.715 120.657 119.950 -0.014 0.000 2.569 150 F HA 0.605 5.134 4.527 0.003 0.000 0.312 150 F C -2.656 173.135 175.800 -0.016 0.000 1.109 150 F CA -2.512 55.478 58.000 -0.017 0.000 0.919 150 F CB 2.040 41.027 39.000 -0.021 0.000 1.211 150 F HN -0.126 nan 8.300 nan 0.000 0.446 151 P HA 0.325 nan 4.420 nan 0.000 0.278 151 P C -0.892 176.452 177.300 0.074 0.000 1.266 151 P CA -0.448 62.702 63.100 0.085 0.000 0.807 151 P CB 0.960 32.693 31.700 0.055 0.000 1.094 152 A N 0.147 122.993 122.820 0.043 0.000 2.483 152 A HA 0.438 4.760 4.320 0.003 0.000 0.238 152 A C 1.426 179.020 177.584 0.017 0.000 1.070 152 A CA 0.844 52.897 52.037 0.026 0.000 0.770 152 A CB -1.541 17.470 19.000 0.019 0.000 1.008 152 A HN 0.891 nan 8.150 nan 0.000 0.497 153 G N 1.172 109.974 108.800 0.003 0.000 2.217 153 G HA2 -0.215 3.747 3.960 0.003 0.000 0.246 153 G HA3 -0.215 3.747 3.960 0.003 0.000 0.246 153 G C 0.497 175.385 174.900 -0.021 0.000 0.990 153 G CA 0.477 45.572 45.100 -0.009 0.000 0.627 153 G HN 1.230 nan 8.290 nan 0.000 0.522 154 T N 1.426 115.969 114.554 -0.018 0.000 2.888 154 T HA 0.385 4.736 4.350 0.003 0.000 0.301 154 T C 0.668 175.306 174.700 -0.103 0.000 1.001 154 T CA 0.099 62.169 62.100 -0.050 0.000 1.147 154 T CB 1.135 69.979 68.868 -0.040 0.000 0.931 154 T HN 0.522 nan 8.240 nan 0.000 0.541 155 R N 3.723 124.149 120.500 -0.123 0.000 2.316 155 R HA 0.269 4.611 4.340 0.003 0.000 0.314 155 R C -0.386 175.759 176.300 -0.258 0.000 1.069 155 R CA -0.411 55.589 56.100 -0.167 0.000 0.959 155 R CB 0.044 30.255 30.300 -0.150 0.000 0.987 155 R HN 0.580 nan 8.270 nan 0.000 0.446 156 L N 3.775 124.823 121.223 -0.291 0.000 2.349 156 L HA 0.356 4.698 4.340 0.003 0.000 0.275 156 L C 0.521 177.051 176.870 -0.566 0.000 1.115 156 L CA -0.043 54.573 54.840 -0.372 0.000 0.820 156 L CB 1.590 43.483 42.059 -0.277 0.000 1.135 156 L HN 0.734 nan 8.230 nan 0.000 0.445 157 T N -0.433 113.801 114.554 -0.533 0.000 2.754 157 T HA 0.161 4.513 4.350 0.003 0.000 0.296 157 T C 0.855 175.442 174.700 -0.189 0.000 1.205 157 T CA -0.401 61.328 62.100 -0.618 0.000 1.009 157 T CB 1.815 70.442 68.868 -0.402 0.000 1.368 157 T HN 0.624 nan 8.240 nan 0.000 0.509 158 T N 1.471 116.074 114.554 0.081 0.000 2.962 158 T HA 0.002 4.353 4.350 0.003 0.000 0.270 158 T C 2.002 176.721 174.700 0.031 0.000 1.088 158 T CA 1.231 63.401 62.100 0.115 0.000 1.127 158 T CB -0.367 68.602 68.868 0.168 0.000 0.883 158 T HN 0.612 nan 8.240 nan 0.000 0.493 159 A N 1.231 124.044 122.820 -0.012 0.000 1.969 159 A HA -0.072 4.249 4.320 0.003 0.000 0.218 159 A C 2.143 179.704 177.584 -0.039 0.000 1.169 159 A CA 1.441 53.472 52.037 -0.009 0.000 0.635 159 A CB -0.210 18.779 19.000 -0.018 0.000 0.810 159 A HN 0.447 nan 8.150 nan 0.000 0.445 160 E N -0.823 119.258 120.200 -0.197 0.000 2.256 160 E HA 0.228 4.580 4.350 0.003 0.000 0.198 160 E C 1.820 178.294 176.600 -0.210 0.000 0.908 160 E CA 0.142 56.265 56.400 -0.461 0.000 0.915 160 E CB -0.191 28.885 29.700 -1.041 0.000 0.890 160 E HN 0.461 nan 8.360 nan 0.000 0.484 161 L N 1.166 122.302 121.223 -0.146 0.000 2.083 161 L HA -0.082 4.259 4.340 0.003 0.000 0.209 161 L C -0.797 176.089 176.870 0.027 0.000 1.083 161 L CA 1.210 56.020 54.840 -0.051 0.000 0.752 161 L CB -1.037 41.006 42.059 -0.026 0.000 0.899 161 L HN 0.143 nan 8.230 nan 0.000 0.433 162 P HA -0.109 nan 4.420 nan 0.000 0.220 162 P C 1.870 179.220 177.300 0.084 0.000 1.148 162 P CA 0.936 64.072 63.100 0.059 0.000 0.803 162 P CB 0.109 31.841 31.700 0.055 0.000 0.782 163 V N -0.208 119.785 119.914 0.132 0.000 2.358 163 V HA -0.225 3.896 4.120 0.003 0.000 0.246 163 V C 2.305 178.490 176.094 0.152 0.000 1.047 163 V CA 1.601 64.001 62.300 0.167 0.000 1.035 163 V CB -1.047 30.954 31.823 0.298 0.000 0.658 163 V HN 0.066 nan 8.190 nan 0.000 0.452 164 I N 0.644 121.325 120.570 0.184 0.000 2.286 164 I HA -0.246 3.926 4.170 0.003 0.000 0.248 164 I C 2.637 178.799 176.117 0.076 0.000 1.115 164 I CA 1.531 62.913 61.300 0.136 0.000 1.392 164 I CB -0.620 37.455 38.000 0.125 0.000 1.065 164 I HN 0.297 nan 8.210 nan 0.000 0.418 165 A N 0.863 123.721 122.820 0.062 0.000 1.969 165 A HA -0.192 4.130 4.320 0.003 0.000 0.218 165 A C 2.493 180.100 177.584 0.039 0.000 1.169 165 A CA 1.904 53.968 52.037 0.044 0.000 0.635 165 A CB -0.719 18.304 19.000 0.039 0.000 0.810 165 A HN 0.535 nan 8.150 nan 0.000 0.445 166 S N -0.015 115.712 115.700 0.044 0.000 2.423 166 S HA -0.020 4.452 4.470 0.003 0.000 0.231 166 S C 1.512 176.126 174.600 0.022 0.000 1.014 166 S CA 1.245 59.464 58.200 0.033 0.000 0.965 166 S CB -0.587 62.634 63.200 0.035 0.000 0.785 166 S HN 0.450 nan 8.310 nan 0.000 0.495 167 L N 1.130 122.369 121.223 0.026 0.000 2.599 167 L HA 0.292 4.634 4.340 0.003 0.000 0.230 167 L C 1.794 178.671 176.870 0.012 0.000 1.141 167 L CA 0.325 55.173 54.840 0.012 0.000 0.877 167 L CB -0.825 41.243 42.059 0.014 0.000 1.009 167 L HN 0.607 nan 8.230 nan 0.000 0.447 168 G N 0.925 109.736 108.800 0.017 0.000 2.143 168 G HA2 -0.280 3.682 3.960 0.003 0.000 0.248 168 G HA3 -0.280 3.682 3.960 0.003 0.000 0.248 168 G C 0.206 175.117 174.900 0.017 0.000 0.991 168 G CA -0.205 44.904 45.100 0.015 0.000 0.689 168 G HN 0.319 nan 8.290 nan 0.000 0.522 169 I N 0.686 121.271 120.570 0.024 0.000 2.371 169 I HA 0.457 4.629 4.170 0.003 0.000 0.290 169 I C 1.528 177.660 176.117 0.025 0.000 1.028 169 I CA 0.053 61.368 61.300 0.025 0.000 1.345 169 I CB 1.487 39.507 38.000 0.033 0.000 1.407 169 I HN 0.123 nan 8.210 nan 0.000 0.501 170 A N 6.004 128.836 122.820 0.021 0.000 2.030 170 A HA 0.089 4.410 4.320 0.003 0.000 0.215 170 A C 0.554 178.149 177.584 0.019 0.000 1.164 170 A CA 0.655 52.704 52.037 0.019 0.000 0.697 170 A CB 0.064 19.074 19.000 0.016 0.000 0.827 170 A HN 0.821 nan 8.150 nan 0.000 0.457 171 E N -0.772 119.439 120.200 0.019 0.000 2.375 171 E HA 0.521 4.873 4.350 0.003 0.000 0.280 171 E C -1.184 175.426 176.600 0.018 0.000 0.972 171 E CA -0.872 55.538 56.400 0.017 0.000 0.782 171 E CB 1.575 31.284 29.700 0.015 0.000 1.229 171 E HN 0.314 nan 8.360 nan 0.000 0.439 172 V N -2.326 117.597 119.914 0.015 0.000 3.001 172 V HA 0.675 4.797 4.120 0.003 0.000 0.314 172 V C -2.878 173.222 176.094 0.011 0.000 1.099 172 V CA -2.936 59.373 62.300 0.015 0.000 0.989 172 V CB 1.551 33.384 31.823 0.016 0.000 1.040 172 V HN 0.536 nan 8.190 nan 0.000 0.434 173 P HA 0.399 nan 4.420 nan 0.000 0.276 173 P C -0.448 176.855 177.300 0.004 0.000 1.253 173 P CA 0.021 63.126 63.100 0.009 0.000 0.766 173 P CB 0.965 32.672 31.700 0.011 0.000 0.845 174 V N 2.192 122.107 119.914 0.002 0.000 2.960 174 V HA 0.524 4.646 4.120 0.003 0.000 0.315 174 V C -0.011 176.083 176.094 0.000 0.000 1.087 174 V CA -1.135 61.162 62.300 -0.004 0.000 0.982 174 V CB 1.837 33.654 31.823 -0.011 0.000 1.039 174 V HN 0.225 nan 8.190 nan 0.000 0.437 175 I N 2.699 123.267 120.570 -0.003 0.000 2.588 175 I HA 0.257 4.429 4.170 0.003 0.000 0.283 175 I C 1.133 177.253 176.117 0.005 0.000 1.119 175 I CA 0.018 61.320 61.300 0.003 0.000 1.419 175 I CB 0.837 38.838 38.000 0.001 0.000 1.394 175 I HN 0.989 nan 8.210 nan 0.000 0.562 176 R N 6.048 126.554 120.500 0.010 0.000 2.698 176 R HA 0.087 4.429 4.340 0.003 0.000 0.266 176 R C -0.314 175.994 176.300 0.013 0.000 1.026 176 R CA -0.282 55.826 56.100 0.013 0.000 1.102 176 R CB 0.460 30.770 30.300 0.016 0.000 0.978 176 R HN 0.434 nan 8.270 nan 0.000 0.436 177 K N 1.965 122.373 120.400 0.014 0.000 2.436 177 K HA 0.039 4.360 4.320 0.003 0.000 0.275 177 K C -0.215 176.396 176.600 0.019 0.000 0.999 177 K CA -0.321 55.974 56.287 0.014 0.000 0.980 177 K CB 0.778 33.286 32.500 0.014 0.000 0.919 177 K HN 0.349 nan 8.250 nan 0.000 0.484 178 V N 3.938 123.863 119.914 0.020 0.000 2.585 178 V HA -0.007 4.115 4.120 0.003 0.000 0.296 178 V C 0.657 176.768 176.094 0.028 0.000 1.035 178 V CA 0.189 62.507 62.300 0.030 0.000 1.084 178 V CB 0.161 32.001 31.823 0.029 0.000 0.953 178 V HN 0.633 nan 8.190 nan 0.000 0.483 179 R N 3.413 123.934 120.500 0.036 0.000 2.255 179 R HA 0.649 4.991 4.340 0.003 0.000 0.326 179 R C -1.233 175.090 176.300 0.039 0.000 0.986 179 R CA -0.462 55.656 56.100 0.030 0.000 0.847 179 R CB 1.677 31.996 30.300 0.031 0.000 1.111 179 R HN 0.547 nan 8.270 nan 0.000 0.452 180 V N 2.611 122.538 119.914 0.022 0.000 2.483 180 V HA 0.504 4.625 4.120 0.003 0.000 0.297 180 V C -0.133 175.965 176.094 0.007 0.000 1.027 180 V CA -0.913 61.403 62.300 0.026 0.000 0.855 180 V CB 1.676 33.512 31.823 0.021 0.000 0.995 180 V HN 0.911 nan 8.190 nan 0.000 0.424 181 A N 5.599 128.440 122.820 0.034 0.000 2.304 181 A HA 0.902 5.223 4.320 0.003 0.000 0.301 181 A C -0.781 176.813 177.584 0.016 0.000 1.132 181 A CA -0.481 51.585 52.037 0.048 0.000 0.819 181 A CB 1.040 20.102 19.000 0.103 0.000 1.094 181 A HN 0.810 nan 8.150 nan 0.000 0.492 182 L N 2.135 123.377 121.223 0.031 0.000 2.455 182 L HA 0.824 5.165 4.340 0.003 0.000 0.264 182 L C -1.445 175.483 176.870 0.098 0.000 0.968 182 L CA -0.638 54.178 54.840 -0.040 0.000 0.827 182 L CB 1.897 43.924 42.059 -0.054 0.000 1.317 182 L HN 0.969 nan 8.230 nan 0.000 0.407 183 F N 0.991 120.925 119.950 -0.027 0.000 2.877 183 F HA 0.807 5.335 4.527 0.002 0.000 0.319 183 F C -0.940 174.859 175.800 -0.002 0.000 1.174 183 F CA -0.623 57.362 58.000 -0.024 0.000 0.903 183 F CB 1.394 40.356 39.000 -0.064 0.000 1.357 183 F HN 0.406 nan 8.300 nan 0.000 0.472 184 S N -0.523 115.363 115.700 0.310 0.000 2.705 184 S HA 0.878 5.350 4.470 0.003 0.000 0.280 184 S C -1.158 173.605 174.600 0.272 0.000 1.174 184 S CA -0.332 58.000 58.200 0.220 0.000 0.823 184 S CB 1.719 64.984 63.200 0.108 0.000 1.162 184 S HN 1.309 nan 8.310 nan 0.000 0.487 185 T N -1.297 113.371 114.554 0.191 0.000 2.802 185 T HA 0.716 5.068 4.350 0.003 0.000 0.311 185 T C -0.807 173.962 174.700 0.115 0.000 1.405 185 T CA 0.490 62.683 62.100 0.157 0.000 1.016 185 T CB 0.987 69.967 68.868 0.187 0.000 1.352 185 T HN 2.510 nan 8.240 nan 0.000 0.498 186 G N 2.118 110.981 108.800 0.105 0.000 2.653 186 G HA2 0.172 4.134 3.960 0.003 0.000 0.656 186 G HA3 0.172 4.134 3.960 0.003 0.000 0.656 186 G C -0.305 174.635 174.900 0.066 0.000 1.419 186 G CA 0.269 45.419 45.100 0.085 0.000 0.862 186 G HN 0.903 nan 8.290 nan 0.000 0.639 187 D N 0.116 120.552 120.400 0.059 0.000 2.340 187 D HA 0.159 4.801 4.640 0.003 0.000 0.220 187 D C 1.498 177.811 176.300 0.021 0.000 1.039 187 D CA 0.915 54.939 54.000 0.040 0.000 0.866 187 D CB 0.278 41.102 40.800 0.039 0.000 0.913 187 D HN 0.547 nan 8.370 nan 0.000 0.523 188 E N 0.595 120.806 120.200 0.018 0.000 2.418 188 E HA 0.026 4.377 4.350 0.003 0.000 0.197 188 E C 0.273 176.861 176.600 -0.020 0.000 1.026 188 E CA 0.342 56.739 56.400 -0.005 0.000 0.862 188 E CB -0.223 29.476 29.700 -0.002 0.000 0.799 188 E HN 0.397 nan 8.360 nan 0.000 0.518 189 L N 1.787 123.013 121.223 0.005 0.000 2.260 189 L HA 0.318 4.660 4.340 0.003 0.000 0.289 189 L C 0.073 176.951 176.870 0.013 0.000 1.057 189 L CA -0.700 54.147 54.840 0.011 0.000 0.811 189 L CB 0.770 42.854 42.059 0.041 0.000 1.184 189 L HN 0.003 nan 8.230 nan 0.000 0.429 190 Q N 2.379 122.179 119.800 -0.001 0.000 2.241 190 Q HA 0.630 4.972 4.340 0.003 0.000 0.262 190 Q C -0.854 175.244 176.000 0.164 0.000 1.014 190 Q CA -0.552 55.280 55.803 0.047 0.000 0.885 190 Q CB 2.036 30.763 28.738 -0.017 0.000 1.311 190 Q HN 0.425 nan 8.270 nan 0.000 0.461 191 L N 3.111 124.428 121.223 0.156 0.000 2.418 191 L HA 0.491 4.832 4.340 0.003 0.000 0.265 191 L C -1.889 175.082 176.870 0.168 0.000 1.143 191 L CA -1.823 53.099 54.840 0.136 0.000 0.809 191 L CB 0.497 42.600 42.059 0.073 0.000 1.124 191 L HN 0.580 nan 8.230 nan 0.000 0.456 192 P HA 0.090 nan 4.420 nan 0.000 0.269 192 P C 0.635 177.888 177.300 -0.078 0.000 1.209 192 P CA 0.691 63.705 63.100 -0.143 0.000 0.776 192 P CB 1.170 32.778 31.700 -0.154 0.000 0.876 193 G N 1.340 110.062 108.800 -0.130 0.000 3.757 193 G HA2 -0.266 3.696 3.960 0.003 0.000 0.215 193 G HA3 -0.266 3.696 3.960 0.003 0.000 0.215 193 G C 0.360 175.286 174.900 0.045 0.000 1.411 193 G CA 0.101 45.176 45.100 -0.042 0.000 0.896 193 G HN 0.655 nan 8.290 nan 0.000 0.581 194 Q N 3.204 123.058 119.800 0.091 0.000 2.394 194 Q HA 0.396 4.737 4.340 0.003 0.000 0.303 194 Q C -1.745 174.371 176.000 0.194 0.000 1.117 194 Q CA 0.210 56.086 55.803 0.123 0.000 0.966 194 Q CB 0.491 29.299 28.738 0.117 0.000 1.275 194 Q HN 0.540 nan 8.270 nan 0.000 0.429 195 P HA 0.161 nan 4.420 nan 0.000 0.282 195 P C -1.171 176.149 177.300 0.033 0.000 1.259 195 P CA -0.658 62.505 63.100 0.104 0.000 0.826 195 P CB 0.778 32.513 31.700 0.059 0.000 1.064 196 L N 2.306 123.516 121.223 -0.021 0.000 2.363 196 L HA 0.305 4.647 4.340 0.003 0.000 0.286 196 L C 1.551 178.383 176.870 -0.063 0.000 1.106 196 L CA 0.351 55.116 54.840 -0.126 0.000 0.859 196 L CB -0.553 41.395 42.059 -0.185 0.000 1.223 196 L HN 0.595 nan 8.230 nan 0.000 0.446 197 G N 2.601 111.369 108.800 -0.053 0.000 2.224 197 G HA2 -0.163 3.799 3.960 0.003 0.000 0.357 197 G HA3 -0.163 3.799 3.960 0.003 0.000 0.357 197 G C 0.817 175.697 174.900 -0.034 0.000 1.436 197 G CA 0.262 45.343 45.100 -0.032 0.000 1.070 197 G HN 0.608 nan 8.290 nan 0.000 0.556 198 D N -0.432 119.954 120.400 -0.023 0.000 2.088 198 D HA -0.029 4.613 4.640 0.003 0.000 0.196 198 D C 2.290 178.576 176.300 -0.023 0.000 0.983 198 D CA 1.702 55.691 54.000 -0.018 0.000 0.846 198 D CB -0.779 40.015 40.800 -0.009 0.000 0.992 198 D HN 0.378 nan 8.370 nan 0.000 0.448 199 G N 0.564 109.350 108.800 -0.023 0.000 3.820 199 G HA2 0.135 4.097 3.960 0.003 0.000 0.293 199 G HA3 0.135 4.097 3.960 0.003 0.000 0.293 199 G C 0.087 174.961 174.900 -0.042 0.000 1.152 199 G CA -0.304 44.781 45.100 -0.025 0.000 0.921 199 G HN 0.195 nan 8.290 nan 0.000 0.544 200 Q N 0.300 120.059 119.800 -0.070 0.000 2.299 200 Q HA 0.558 4.899 4.340 0.003 0.000 0.246 200 Q C 0.048 175.945 176.000 -0.171 0.000 0.935 200 Q CA -0.077 55.660 55.803 -0.110 0.000 0.887 200 Q CB 2.103 30.764 28.738 -0.129 0.000 1.223 200 Q HN 0.566 nan 8.270 nan 0.000 0.439 201 I N -2.603 117.853 120.570 -0.189 0.000 3.108 201 I HA 0.457 4.629 4.170 0.003 0.000 0.312 201 I C -1.142 174.777 176.117 -0.331 0.000 1.095 201 I CA -1.497 59.658 61.300 -0.241 0.000 1.000 201 I CB 1.372 39.321 38.000 -0.086 0.000 1.229 201 I HN 0.441 nan 8.210 nan 0.000 0.454 202 Y N 0.766 121.065 120.300 -0.002 0.000 2.336 202 Y HA 0.176 4.729 4.550 0.005 0.000 0.335 202 Y C 0.351 176.239 175.900 -0.021 0.000 1.046 202 Y CA -0.224 57.869 58.100 -0.012 0.000 1.198 202 Y CB 0.450 38.898 38.460 -0.020 0.000 1.182 202 Y HN 0.491 nan 8.280 nan 0.000 0.502 203 D N 2.341 122.820 120.400 0.133 0.000 2.402 203 D HA -0.068 4.573 4.640 0.003 0.000 0.268 203 D C 1.017 177.338 176.300 0.035 0.000 1.294 203 D CA 0.588 54.627 54.000 0.065 0.000 0.945 203 D CB 0.677 41.513 40.800 0.060 0.000 1.112 203 D HN 0.772 nan 8.370 nan 0.000 0.517 204 T N 0.557 115.103 114.554 -0.012 0.000 2.971 204 T HA 0.034 4.386 4.350 0.003 0.000 0.252 204 T C 1.289 175.909 174.700 -0.134 0.000 1.022 204 T CA -0.185 61.861 62.100 -0.090 0.000 0.980 204 T CB 0.097 68.876 68.868 -0.148 0.000 1.044 204 T HN 0.075 nan 8.240 nan 0.000 0.501 205 N N 1.695 120.344 118.700 -0.086 0.000 2.270 205 N HA 0.087 4.828 4.740 0.003 0.000 0.181 205 N C 1.888 177.349 175.510 -0.082 0.000 1.016 205 N CA 0.797 53.798 53.050 -0.082 0.000 0.870 205 N CB -0.365 38.108 38.487 -0.024 0.000 0.979 205 N HN 0.445 nan 8.380 nan 0.000 0.431 206 R N 0.401 120.873 120.500 -0.047 0.000 2.090 206 R HA 0.067 4.409 4.340 0.003 0.000 0.228 206 R C 1.952 178.239 176.300 -0.021 0.000 1.110 206 R CA 0.513 56.599 56.100 -0.025 0.000 0.973 206 R CB -0.147 30.163 30.300 0.017 0.000 0.869 206 R HN 0.170 nan 8.270 nan 0.000 0.440 207 L N 0.336 121.530 121.223 -0.049 0.000 2.072 207 L HA -0.046 4.295 4.340 0.003 0.000 0.205 207 L C 2.177 178.992 176.870 -0.092 0.000 1.079 207 L CA 1.757 56.558 54.840 -0.066 0.000 0.752 207 L CB -0.796 41.205 42.059 -0.096 0.000 0.906 207 L HN 0.275 nan 8.230 nan 0.000 0.436 208 A N -0.268 122.469 122.820 -0.139 0.000 1.865 208 A HA -0.187 4.134 4.320 0.003 0.000 0.217 208 A C 2.249 179.685 177.584 -0.248 0.000 1.191 208 A CA 2.126 54.062 52.037 -0.169 0.000 0.623 208 A CB -0.948 17.953 19.000 -0.165 0.000 0.826 208 A HN 0.314 nan 8.150 nan 0.000 0.444 209 V N -0.231 119.509 119.914 -0.289 0.000 2.295 209 V HA -0.282 3.840 4.120 0.003 0.000 0.246 209 V C 2.564 178.486 176.094 -0.287 0.000 1.049 209 V CA 2.257 64.269 62.300 -0.480 0.000 1.024 209 V CB -1.058 30.552 31.823 -0.354 0.000 0.648 209 V HN 0.766 nan 8.190 nan 0.000 0.447 210 H N 0.209 119.156 119.070 -0.204 0.000 2.319 210 H HA -0.150 4.408 4.556 0.003 0.000 0.297 210 H C 2.242 177.495 175.328 -0.125 0.000 1.097 210 H CA 2.208 58.181 56.048 -0.125 0.000 1.285 210 H CB -0.277 29.433 29.762 -0.087 0.000 1.368 210 H HN 0.327 nan 8.280 nan 0.000 0.495 211 L N -0.265 120.998 121.223 0.067 0.000 2.042 211 L HA -0.230 4.112 4.340 0.003 0.000 0.210 211 L C 3.027 179.851 176.870 -0.077 0.000 1.076 211 L CA 1.377 56.209 54.840 -0.013 0.000 0.749 211 L CB -0.370 41.638 42.059 -0.085 0.000 0.893 211 L HN 0.287 nan 8.230 nan 0.000 0.432 212 M N -0.864 118.629 119.600 -0.178 0.000 2.200 212 M HA -0.184 4.298 4.480 0.003 0.000 0.265 212 M C 2.315 178.596 176.300 -0.031 0.000 1.066 212 M CA 1.517 56.715 55.300 -0.169 0.000 1.127 212 M CB -0.271 32.127 32.600 -0.336 0.000 1.379 212 M HN 0.227 nan 8.290 nan 0.000 0.420 213 L N 0.103 121.304 121.223 -0.036 0.000 1.990 213 L HA -0.263 4.079 4.340 0.003 0.000 0.213 213 L C 2.411 179.288 176.870 0.012 0.000 1.072 213 L CA 1.616 56.475 54.840 0.031 0.000 0.755 213 L CB -0.729 41.304 42.059 -0.043 0.000 0.889 213 L HN 0.358 nan 8.230 nan 0.000 0.432 214 E N -0.688 119.516 120.200 0.006 0.000 2.106 214 E HA -0.217 4.135 4.350 0.003 0.000 0.192 214 E C 2.261 178.873 176.600 0.020 0.000 0.984 214 E CA 0.765 57.179 56.400 0.025 0.000 0.806 214 E CB -0.052 29.689 29.700 0.068 0.000 0.750 214 E HN 0.478 nan 8.360 nan 0.000 0.458 215 Q N 0.341 120.145 119.800 0.006 0.000 2.167 215 Q HA -0.046 4.296 4.340 0.003 0.000 0.202 215 Q C 2.181 178.190 176.000 0.016 0.000 0.970 215 Q CA 0.792 56.597 55.803 0.002 0.000 0.855 215 Q CB -0.103 28.618 28.738 -0.029 0.000 0.911 215 Q HN 0.355 nan 8.270 nan 0.000 0.438 216 L N -0.513 120.720 121.223 0.018 0.000 2.610 216 L HA 0.055 4.396 4.340 0.003 0.000 0.232 216 L C 1.070 177.950 176.870 0.017 0.000 1.149 216 L CA 0.536 55.386 54.840 0.016 0.000 0.872 216 L CB -0.339 41.732 42.059 0.021 0.000 0.992 216 L HN 0.341 nan 8.230 nan 0.000 0.447 217 G N -0.962 107.853 108.800 0.025 0.000 2.136 217 G HA2 -0.258 3.703 3.960 0.003 0.000 0.242 217 G HA3 -0.258 3.703 3.960 0.003 0.000 0.242 217 G C 0.249 175.158 174.900 0.016 0.000 0.989 217 G CA -0.072 45.043 45.100 0.025 0.000 0.682 217 G HN 0.327 nan 8.290 nan 0.000 0.522 218 C N 0.292 119.600 119.300 0.014 0.000 2.605 218 C HA 0.539 5.001 4.460 0.003 0.000 0.404 218 C C 0.988 175.977 174.990 -0.003 0.000 1.284 218 C CA -0.388 58.635 59.018 0.008 0.000 2.199 218 C CB 0.957 28.703 27.740 0.011 0.000 2.647 218 C HN 0.592 nan 8.230 nan 0.000 0.604 219 E N 1.074 121.273 120.200 -0.002 0.000 2.194 219 E HA 0.413 4.764 4.350 0.003 0.000 0.284 219 E C -1.048 175.532 176.600 -0.033 0.000 1.035 219 E CA -0.148 56.248 56.400 -0.007 0.000 0.836 219 E CB 0.643 30.347 29.700 0.006 0.000 1.070 219 E HN 0.521 nan 8.360 nan 0.000 0.401 220 V N 6.326 126.197 119.914 -0.072 0.000 2.398 220 V HA 0.329 4.451 4.120 0.003 0.000 0.286 220 V C -0.200 175.838 176.094 -0.093 0.000 1.026 220 V CA -0.673 61.532 62.300 -0.157 0.000 0.868 220 V CB 1.277 32.829 31.823 -0.451 0.000 0.982 220 V HN 0.575 nan 8.190 nan 0.000 0.443 221 I N 4.377 124.911 120.570 -0.060 0.000 2.371 221 I HA 0.330 4.502 4.170 0.003 0.000 0.282 221 I C 0.190 176.311 176.117 0.007 0.000 1.031 221 I CA 0.130 61.427 61.300 -0.004 0.000 1.180 221 I CB 0.814 38.825 38.000 0.019 0.000 1.336 221 I HN 0.606 nan 8.210 nan 0.000 0.467 222 N N 5.354 124.076 118.700 0.037 0.000 2.420 222 N HA 0.230 4.971 4.740 0.003 0.000 0.249 222 N C 0.459 176.028 175.510 0.099 0.000 1.033 222 N CA -0.435 52.669 53.050 0.089 0.000 0.944 222 N CB 0.751 39.368 38.487 0.218 0.000 1.113 222 N HN 0.470 nan 8.380 nan 0.000 0.502 223 L N 3.135 124.428 121.223 0.117 0.000 2.592 223 L HA 0.410 4.752 4.340 0.003 0.000 0.227 223 L C 1.335 178.247 176.870 0.070 0.000 1.127 223 L CA 0.653 55.540 54.840 0.080 0.000 0.884 223 L CB -1.151 40.946 42.059 0.063 0.000 1.065 223 L HN 0.880 nan 8.230 nan 0.000 0.457 224 G N -0.202 108.663 108.800 0.108 0.000 2.545 224 G HA2 -0.225 3.737 3.960 0.003 0.000 0.216 224 G HA3 -0.225 3.737 3.960 0.003 0.000 0.216 224 G C -0.241 174.722 174.900 0.106 0.000 1.314 224 G CA -0.416 44.736 45.100 0.086 0.000 0.906 224 G HN 0.011 nan 8.290 nan 0.000 0.563 225 I N 1.468 122.083 120.570 0.076 0.000 2.342 225 I HA 0.325 4.497 4.170 0.003 0.000 0.291 225 I C 0.457 176.604 176.117 0.050 0.000 1.010 225 I CA -0.745 60.603 61.300 0.081 0.000 1.308 225 I CB 0.950 38.990 38.000 0.067 0.000 1.400 225 I HN 0.293 nan 8.210 nan 0.000 0.488 226 I N 6.276 126.874 120.570 0.048 0.000 2.499 226 I HA 0.287 4.459 4.170 0.003 0.000 0.296 226 I C 0.856 176.991 176.117 0.030 0.000 0.992 226 I CA -0.568 60.722 61.300 -0.016 0.000 1.297 226 I CB 0.794 38.722 38.000 -0.119 0.000 1.410 226 I HN 0.518 nan 8.210 nan 0.000 0.507 227 R N 3.008 123.517 120.500 0.016 0.000 2.538 227 R HA -0.062 4.280 4.340 0.003 0.000 0.282 227 R C 0.133 176.475 176.300 0.070 0.000 1.009 227 R CA 0.046 56.167 56.100 0.034 0.000 1.063 227 R CB 0.180 30.491 30.300 0.017 0.000 0.945 227 R HN 0.509 nan 8.270 nan 0.000 0.414 228 D N 2.853 123.302 120.400 0.080 0.000 2.662 228 D HA -0.037 4.605 4.640 0.003 0.000 0.228 228 D C -0.804 175.515 176.300 0.032 0.000 1.090 228 D CA 0.798 54.878 54.000 0.133 0.000 1.118 228 D CB -0.180 40.688 40.800 0.113 0.000 1.129 228 D HN 0.405 nan 8.370 nan 0.000 0.472 229 D N 0.157 120.561 120.400 0.006 0.000 2.937 229 D HA 0.181 4.823 4.640 0.003 0.000 0.215 229 D C -1.978 174.236 176.300 -0.143 0.000 1.274 229 D CA -1.314 52.583 54.000 -0.172 0.000 0.869 229 D CB 1.841 42.613 40.800 -0.047 0.000 1.675 229 D HN -0.152 nan 8.370 nan 0.000 0.538 230 P HA -0.196 nan 4.420 nan 0.000 0.216 230 P C 0.978 178.194 177.300 -0.140 0.000 1.153 230 P CA 1.315 64.302 63.100 -0.188 0.000 0.858 230 P CB 0.047 31.520 31.700 -0.378 0.000 0.789 231 H N -0.521 118.536 119.070 -0.021 0.000 2.395 231 H HA 0.097 4.654 4.556 0.002 0.000 0.299 231 H C 2.034 177.362 175.328 -0.001 0.000 1.070 231 H CA 1.443 57.486 56.048 -0.008 0.000 1.356 231 H CB -0.704 29.042 29.762 -0.027 0.000 1.401 231 H HN 0.095 nan 8.280 nan 0.000 0.524 232 A N 1.539 124.426 122.820 0.111 0.000 1.902 232 A HA -0.101 4.221 4.320 0.003 0.000 0.217 232 A C 2.606 180.195 177.584 0.009 0.000 1.181 232 A CA 0.881 52.944 52.037 0.043 0.000 0.623 232 A CB -0.797 18.218 19.000 0.025 0.000 0.818 232 A HN 0.302 nan 8.150 nan 0.000 0.443 233 L N -1.102 120.159 121.223 0.064 0.000 2.005 233 L HA -0.156 4.186 4.340 0.003 0.000 0.207 233 L C 2.792 179.746 176.870 0.140 0.000 1.072 233 L CA 1.827 56.717 54.840 0.084 0.000 0.744 233 L CB -0.432 41.783 42.059 0.261 0.000 0.895 233 L HN 0.489 nan 8.230 nan 0.000 0.433 234 R N -0.242 120.346 120.500 0.146 0.000 2.096 234 R HA -0.235 4.106 4.340 0.003 0.000 0.240 234 R C 2.215 178.580 176.300 0.108 0.000 1.139 234 R CA 1.827 58.009 56.100 0.137 0.000 0.952 234 R CB -0.328 30.009 30.300 0.061 0.000 0.854 234 R HN 0.490 nan 8.270 nan 0.000 0.436 235 A N 0.460 123.312 122.820 0.053 0.000 1.908 235 A HA -0.137 4.185 4.320 0.003 0.000 0.218 235 A C 2.341 179.904 177.584 -0.035 0.000 1.181 235 A CA 1.767 53.813 52.037 0.016 0.000 0.627 235 A CB -0.794 18.208 19.000 0.004 0.000 0.818 235 A HN 0.559 nan 8.150 nan 0.000 0.445 236 A N -1.454 121.285 122.820 -0.134 0.000 1.933 236 A HA -0.038 4.284 4.320 0.003 0.000 0.218 236 A C 1.995 179.380 177.584 -0.331 0.000 1.175 236 A CA 1.487 53.306 52.037 -0.364 0.000 0.628 236 A CB -0.690 17.854 19.000 -0.760 0.000 0.814 236 A HN 0.502 nan 8.150 nan 0.000 0.444 237 F N -0.404 119.464 119.950 -0.136 0.000 2.163 237 F HA -0.027 4.501 4.527 0.002 0.000 0.297 237 F C 2.091 177.896 175.800 0.007 0.000 1.094 237 F CA 1.287 59.290 58.000 0.006 0.000 1.290 237 F CB -0.155 38.840 39.000 -0.008 0.000 1.017 237 F HN 0.108 nan 8.300 nan 0.000 0.483 238 I N -0.212 120.448 120.570 0.150 0.000 2.252 238 I HA -0.254 3.918 4.170 0.003 0.000 0.245 238 I C 2.424 178.570 176.117 0.050 0.000 1.102 238 I CA 1.430 62.778 61.300 0.081 0.000 1.385 238 I CB -0.441 37.588 38.000 0.047 0.000 1.064 238 I HN 0.159 nan 8.210 nan 0.000 0.414 239 E N 1.425 121.637 120.200 0.021 0.000 2.047 239 E HA -0.237 4.115 4.350 0.003 0.000 0.191 239 E C 2.312 178.929 176.600 0.029 0.000 0.987 239 E CA 1.283 57.688 56.400 0.008 0.000 0.799 239 E CB -0.043 29.643 29.700 -0.023 0.000 0.752 239 E HN 0.450 nan 8.360 nan 0.000 0.449 240 A N 1.323 124.167 122.820 0.041 0.000 1.851 240 A HA -0.282 4.040 4.320 0.003 0.000 0.216 240 A C 1.990 179.636 177.584 0.102 0.000 1.195 240 A CA 2.200 54.294 52.037 0.096 0.000 0.622 240 A CB -1.007 18.098 19.000 0.175 0.000 0.831 240 A HN 0.493 nan 8.150 nan 0.000 0.444 241 D N -0.346 120.126 120.400 0.119 0.000 2.178 241 D HA -0.140 4.502 4.640 0.003 0.000 0.201 241 D C 2.082 178.411 176.300 0.048 0.000 0.980 241 D CA 1.775 55.832 54.000 0.096 0.000 0.842 241 D CB -0.066 40.796 40.800 0.102 0.000 0.948 241 D HN 0.485 nan 8.370 nan 0.000 0.472 242 S N -1.294 114.430 115.700 0.040 0.000 2.507 242 S HA -0.102 4.369 4.470 0.003 0.000 0.235 242 S C 1.773 176.386 174.600 0.023 0.000 0.988 242 S CA 0.612 58.825 58.200 0.022 0.000 0.944 242 S CB -0.084 63.127 63.200 0.018 0.000 0.762 242 S HN 0.366 nan 8.310 nan 0.000 0.526 243 Q N -0.219 119.600 119.800 0.032 0.000 2.214 243 Q HA 0.544 4.885 4.340 0.003 0.000 0.229 243 Q C 0.186 176.207 176.000 0.036 0.000 0.835 243 Q CA 0.215 56.036 55.803 0.030 0.000 0.953 243 Q CB 1.303 30.060 28.738 0.032 0.000 1.131 243 Q HN 0.682 nan 8.270 nan 0.000 0.501 244 A N -0.414 122.433 122.820 0.044 0.000 2.527 244 A HA 0.389 4.710 4.320 0.003 0.000 0.293 244 A C -0.655 176.965 177.584 0.061 0.000 1.117 244 A CA -0.603 51.467 52.037 0.054 0.000 0.723 244 A CB 1.175 20.217 19.000 0.069 0.000 1.313 244 A HN 0.033 nan 8.150 nan 0.000 0.411 245 D N -0.597 119.851 120.400 0.080 0.000 2.277 245 D HA 0.166 4.808 4.640 0.003 0.000 0.209 245 D C 0.066 176.479 176.300 0.189 0.000 0.970 245 D CA 1.375 55.447 54.000 0.120 0.000 0.874 245 D CB 0.546 41.423 40.800 0.127 0.000 0.982 245 D HN 0.205 nan 8.370 nan 0.000 0.504 246 V N 1.294 121.302 119.914 0.155 0.000 2.760 246 V HA 0.327 4.449 4.120 0.003 0.000 0.309 246 V C -0.298 175.867 176.094 0.118 0.000 1.077 246 V CA -0.866 61.538 62.300 0.173 0.000 0.910 246 V CB 2.938 34.850 31.823 0.148 0.000 1.008 246 V HN -0.264 nan 8.190 nan 0.000 0.424 247 V N 5.527 125.522 119.914 0.134 0.000 2.495 247 V HA 0.588 4.709 4.120 0.003 0.000 0.298 247 V C -0.435 175.623 176.094 -0.060 0.000 1.031 247 V CA -0.420 61.949 62.300 0.116 0.000 0.871 247 V CB 1.857 33.864 31.823 0.307 0.000 0.988 247 V HN 0.700 nan 8.190 nan 0.000 0.432 248 I N 3.197 123.651 120.570 -0.192 0.000 2.466 248 I HA 0.365 4.537 4.170 0.003 0.000 0.289 248 I C 0.054 175.863 176.117 -0.513 0.000 1.026 248 I CA -0.314 60.783 61.300 -0.339 0.000 1.078 248 I CB 2.216 40.132 38.000 -0.140 0.000 1.249 248 I HN 0.621 nan 8.210 nan 0.000 0.429 249 S N 3.523 118.926 115.700 -0.494 0.000 2.439 249 S HA 0.159 4.630 4.470 0.003 0.000 0.282 249 S C 1.130 175.622 174.600 -0.180 0.000 1.170 249 S CA -0.499 57.459 58.200 -0.403 0.000 1.054 249 S CB 0.765 63.935 63.200 -0.049 0.000 0.956 249 S HN 0.717 nan 8.310 nan 0.000 0.490 250 S N 3.491 119.107 115.700 -0.140 0.000 2.561 250 S HA 0.410 4.881 4.470 0.003 0.000 0.225 250 S C 0.938 175.546 174.600 0.013 0.000 0.977 250 S CA 0.048 58.224 58.200 -0.042 0.000 0.926 250 S CB -0.317 62.855 63.200 -0.045 0.000 0.769 250 S HN 1.366 nan 8.310 nan 0.000 0.533 251 G N -1.760 107.056 108.800 0.027 0.000 2.378 251 G HA2 0.521 4.483 3.960 0.003 0.000 0.302 251 G HA3 0.521 4.483 3.960 0.003 0.000 0.302 251 G C 0.202 175.153 174.900 0.083 0.000 1.669 251 G CA -0.229 44.909 45.100 0.064 0.000 0.920 251 G HN 1.128 nan 8.290 nan 0.000 0.697 252 G N -1.091 107.763 108.800 0.090 0.000 2.313 252 G HA2 -0.037 3.925 3.960 0.003 0.000 0.215 252 G HA3 -0.037 3.925 3.960 0.003 0.000 0.215 252 G C 0.556 175.509 174.900 0.087 0.000 1.023 252 G CA 0.589 45.742 45.100 0.088 0.000 0.626 252 G HN 1.743 nan 8.290 nan 0.000 0.503 253 V N 2.071 122.069 119.914 0.141 0.000 2.732 253 V HA 0.603 4.724 4.120 0.003 0.000 0.297 253 V C 1.353 177.531 176.094 0.140 0.000 1.060 253 V CA 0.427 62.826 62.300 0.166 0.000 1.038 253 V CB 1.610 33.631 31.823 0.330 0.000 1.003 253 V HN 0.768 nan 8.190 nan 0.000 0.481 254 S N 2.779 118.527 115.700 0.080 0.000 2.552 254 S HA 0.079 4.550 4.470 0.003 0.000 0.289 254 S C 0.587 175.309 174.600 0.205 0.000 1.304 254 S CA -0.103 58.131 58.200 0.057 0.000 1.063 254 S CB 0.823 63.980 63.200 -0.072 0.000 0.848 254 S HN 1.012 nan 8.310 nan 0.000 0.499 255 V N 2.524 122.547 119.914 0.182 0.000 3.271 255 V HA 0.687 4.809 4.120 0.003 0.000 0.327 255 V C 1.168 177.439 176.094 0.296 0.000 1.389 255 V CA 0.454 62.938 62.300 0.307 0.000 1.156 255 V CB -0.557 31.406 31.823 0.233 0.000 1.103 255 V HN 1.119 nan 8.190 nan 0.000 0.453 256 G N 0.239 109.015 108.800 -0.041 0.000 3.967 256 G HA2 -0.120 3.842 3.960 0.003 0.000 0.210 256 G HA3 -0.120 3.842 3.960 0.003 0.000 0.210 256 G C 0.058 174.787 174.900 -0.285 0.000 1.127 256 G CA -0.003 44.943 45.100 -0.256 0.000 0.887 256 G HN 0.475 nan 8.290 nan 0.000 0.367 257 E N 1.501 121.619 120.200 -0.136 0.000 2.467 257 E HA 0.515 4.866 4.350 0.003 0.000 0.264 257 E C 0.543 177.047 176.600 -0.161 0.000 1.020 257 E CA 0.832 57.166 56.400 -0.109 0.000 0.945 257 E CB 0.864 30.534 29.700 -0.049 0.000 0.942 257 E HN 0.807 nan 8.360 nan 0.000 0.449 258 A N 4.174 126.920 122.820 -0.123 0.000 2.289 258 A HA 0.553 4.874 4.320 0.003 0.000 0.298 258 A C -0.753 176.780 177.584 -0.086 0.000 1.208 258 A CA 0.048 52.010 52.037 -0.124 0.000 0.845 258 A CB 0.163 19.108 19.000 -0.092 0.000 1.125 258 A HN 0.704 nan 8.150 nan 0.000 0.517 259 D N 0.321 120.664 120.400 -0.095 0.000 2.827 259 D HA 0.025 4.667 4.640 0.003 0.000 0.336 259 D C 0.168 176.434 176.300 -0.056 0.000 1.374 259 D CA 0.023 53.990 54.000 -0.056 0.000 0.794 259 D CB -0.381 40.371 40.800 -0.080 0.000 1.364 259 D HN 0.460 nan 8.370 nan 0.000 0.464 260 Y N -0.949 119.333 120.300 -0.031 0.000 2.352 260 Y HA -0.026 4.525 4.550 0.002 0.000 0.292 260 Y C 2.097 177.978 175.900 -0.032 0.000 1.136 260 Y CA 2.058 60.135 58.100 -0.039 0.000 1.227 260 Y CB -1.175 37.263 38.460 -0.038 0.000 0.991 260 Y HN 0.494 nan 8.280 nan 0.000 0.545 261 T N -1.712 112.465 114.554 -0.628 0.000 2.904 261 T HA -0.135 4.217 4.350 0.003 0.000 0.267 261 T C 1.788 176.390 174.700 -0.164 0.000 1.059 261 T CA 1.327 63.208 62.100 -0.364 0.000 1.137 261 T CB -0.361 68.292 68.868 -0.358 0.000 0.879 261 T HN 0.446 nan 8.240 nan 0.000 0.467 262 K N 1.005 121.306 120.400 -0.165 0.000 2.026 262 K HA -0.115 4.206 4.320 0.003 0.000 0.208 262 K C 2.620 179.154 176.600 -0.109 0.000 1.048 262 K CA 1.884 58.082 56.287 -0.149 0.000 0.929 262 K CB -0.731 31.618 32.500 -0.251 0.000 0.713 262 K HN 0.466 nan 8.250 nan 0.000 0.439 263 T N -0.580 113.918 114.554 -0.094 0.000 2.915 263 T HA -0.081 4.271 4.350 0.003 0.000 0.269 263 T C 1.826 176.475 174.700 -0.086 0.000 1.071 263 T CA 1.248 63.307 62.100 -0.069 0.000 1.132 263 T CB -0.232 68.614 68.868 -0.036 0.000 0.878 263 T HN 0.263 nan 8.240 nan 0.000 0.479 264 I N 0.101 120.611 120.570 -0.100 0.000 2.333 264 I HA 0.024 4.196 4.170 0.003 0.000 0.246 264 I C 2.508 178.432 176.117 -0.322 0.000 1.106 264 I CA 0.704 61.910 61.300 -0.158 0.000 1.411 264 I CB -0.210 37.738 38.000 -0.087 0.000 1.082 264 I HN 0.251 nan 8.210 nan 0.000 0.420 265 L N 0.459 121.455 121.223 -0.379 0.000 1.990 265 L HA -0.288 4.054 4.340 0.003 0.000 0.213 265 L C 2.489 179.178 176.870 -0.301 0.000 1.072 265 L CA 1.729 56.274 54.840 -0.492 0.000 0.755 265 L CB -0.577 41.272 42.059 -0.349 0.000 0.889 265 L HN 0.256 nan 8.230 nan 0.000 0.432 266 E N -0.213 119.903 120.200 -0.141 0.000 2.147 266 E HA -0.291 4.061 4.350 0.003 0.000 0.199 266 E C 1.972 178.499 176.600 -0.122 0.000 1.005 266 E CA 1.917 58.264 56.400 -0.088 0.000 0.810 266 E CB -0.063 29.613 29.700 -0.039 0.000 0.736 266 E HN 0.659 nan 8.360 nan 0.000 0.460 267 E N 0.403 120.518 120.200 -0.142 0.000 2.076 267 E HA -0.118 4.234 4.350 0.003 0.000 0.190 267 E C 1.983 178.493 176.600 -0.151 0.000 0.979 267 E CA 0.755 57.079 56.400 -0.126 0.000 0.807 267 E CB -0.161 29.476 29.700 -0.105 0.000 0.761 267 E HN 0.242 nan 8.360 nan 0.000 0.454 268 L N 0.378 121.468 121.223 -0.222 0.000 2.509 268 L HA 0.244 4.586 4.340 0.003 0.000 0.222 268 L C 1.074 177.812 176.870 -0.219 0.000 1.123 268 L CA 0.362 55.069 54.840 -0.220 0.000 0.856 268 L CB 0.246 42.129 42.059 -0.294 0.000 0.985 268 L HN 0.181 nan 8.230 nan 0.000 0.456 269 G N -0.954 107.702 108.800 -0.240 0.000 2.554 269 G HA2 0.376 4.338 3.960 0.003 0.000 0.306 269 G HA3 0.376 4.338 3.960 0.003 0.000 0.306 269 G C -1.565 173.216 174.900 -0.198 0.000 1.320 269 G CA -0.500 44.468 45.100 -0.221 0.000 0.800 269 G HN -0.153 nan 8.290 nan 0.000 0.481 270 E N -0.112 119.973 120.200 -0.192 0.000 2.103 270 E HA 0.525 4.877 4.350 0.003 0.000 0.254 270 E C -0.690 175.781 176.600 -0.216 0.000 0.940 270 E CA -0.194 56.112 56.400 -0.156 0.000 0.771 270 E CB 0.846 30.481 29.700 -0.108 0.000 1.153 270 E HN 0.283 nan 8.360 nan 0.000 0.428 271 I N 2.109 122.516 120.570 -0.272 0.000 2.412 271 I HA 0.503 4.674 4.170 0.003 0.000 0.296 271 I C 0.082 175.873 176.117 -0.543 0.000 0.987 271 I CA -0.642 60.377 61.300 -0.467 0.000 1.180 271 I CB 1.913 39.553 38.000 -0.601 0.000 1.340 271 I HN 0.360 nan 8.210 nan 0.000 0.455 272 A N 5.822 128.257 122.820 -0.641 0.000 2.312 272 A HA 0.817 5.138 4.320 0.003 0.000 0.328 272 A C -1.111 175.903 177.584 -0.950 0.000 1.158 272 A CA -0.316 51.367 52.037 -0.589 0.000 0.821 272 A CB 0.319 19.040 19.000 -0.464 0.000 1.170 272 A HN 0.480 nan 8.150 nan 0.000 0.490 273 F N 1.959 121.785 119.950 -0.206 0.000 2.359 273 F HA 0.359 4.888 4.527 0.004 0.000 0.369 273 F C -0.500 175.361 175.800 0.101 0.000 1.084 273 F CA -0.444 57.497 58.000 -0.098 0.000 1.096 273 F CB 0.933 39.920 39.000 -0.023 0.000 1.335 273 F HN 0.515 nan 8.300 nan 0.000 0.457 274 W N 2.473 123.900 121.300 0.211 0.000 2.375 274 W HA 0.501 5.163 4.660 0.003 0.000 0.336 274 W C -0.172 176.461 176.519 0.190 0.000 1.160 274 W CA -1.491 55.969 57.345 0.190 0.000 1.266 274 W CB 1.023 30.604 29.460 0.202 0.000 1.195 274 W HN 0.221 nan 8.180 nan 0.000 0.599 275 K N 2.372 123.004 120.400 0.387 0.000 2.339 275 K HA 0.454 4.776 4.320 0.003 0.000 0.264 275 K C -0.943 175.765 176.600 0.181 0.000 0.986 275 K CA -0.852 55.585 56.287 0.249 0.000 0.866 275 K CB 1.335 33.943 32.500 0.180 0.000 1.103 275 K HN 0.021 nan 8.250 nan 0.000 0.441 276 L N 1.724 123.048 121.223 0.168 0.000 2.331 276 L HA 0.432 4.773 4.340 0.003 0.000 0.275 276 L C 0.178 177.092 176.870 0.074 0.000 1.022 276 L CA -0.349 54.550 54.840 0.098 0.000 0.812 276 L CB 1.704 43.827 42.059 0.106 0.000 1.257 276 L HN 0.705 nan 8.230 nan 0.000 0.435 277 A N 5.276 128.121 122.820 0.041 0.000 3.126 277 A HA 0.568 4.890 4.320 0.003 0.000 0.268 277 A C -0.110 177.505 177.584 0.052 0.000 1.605 277 A CA -0.187 51.873 52.037 0.038 0.000 1.305 277 A CB -1.176 17.832 19.000 0.014 0.000 1.160 277 A HN 0.601 nan 8.150 nan 0.000 0.609 278 I N -3.085 117.531 120.570 0.077 0.000 2.969 278 I HA 0.763 4.934 4.170 0.003 0.000 0.307 278 I C -0.944 175.239 176.117 0.110 0.000 1.149 278 I CA -1.187 60.183 61.300 0.116 0.000 1.008 278 I CB 2.416 40.499 38.000 0.137 0.000 1.232 278 I HN 0.104 nan 8.210 nan 0.000 0.435 279 K N 4.347 124.828 120.400 0.135 0.000 2.501 279 K HA 0.610 4.931 4.320 0.003 0.000 0.252 279 K C -2.880 173.810 176.600 0.150 0.000 0.934 279 K CA -1.715 54.642 56.287 0.116 0.000 0.797 279 K CB 2.884 35.434 32.500 0.085 0.000 1.270 279 K HN 0.433 nan 8.250 nan 0.000 0.431 280 P HA 0.253 nan 4.420 nan 0.000 0.277 280 P C 0.156 177.518 177.300 0.103 0.000 1.276 280 P CA 0.414 63.577 63.100 0.105 0.000 0.788 280 P CB 0.539 32.301 31.700 0.103 0.000 1.114 281 G N -0.534 108.330 108.800 0.106 0.000 2.548 281 G HA2 -0.049 3.912 3.960 0.003 0.000 0.208 281 G HA3 -0.049 3.912 3.960 0.003 0.000 0.208 281 G C -0.067 174.900 174.900 0.112 0.000 1.308 281 G CA 0.598 45.764 45.100 0.110 0.000 0.924 281 G HN 0.892 nan 8.290 nan 0.000 0.540 282 K N -2.256 118.221 120.400 0.128 0.000 2.368 282 K HA 0.016 4.337 4.320 0.003 0.000 0.217 282 K C -2.608 174.111 176.600 0.198 0.000 2.774 282 K CA 0.697 57.068 56.287 0.140 0.000 1.374 282 K CB -0.723 31.850 32.500 0.122 0.000 3.019 282 K HN 0.719 nan 8.250 nan 0.000 0.325 283 P HA 0.337 nan 4.420 nan 0.000 0.282 283 P C -1.223 176.315 177.300 0.397 0.000 1.249 283 P CA 0.235 63.505 63.100 0.283 0.000 0.806 283 P CB 0.652 32.486 31.700 0.224 0.000 0.984 284 F N 1.117 121.194 119.950 0.212 0.000 2.639 284 F HA 0.538 5.067 4.527 0.002 0.000 0.326 284 F C -1.719 174.131 175.800 0.084 0.000 1.150 284 F CA -0.739 57.363 58.000 0.169 0.000 1.057 284 F CB 1.093 40.222 39.000 0.214 0.000 1.300 284 F HN 0.455 nan 8.300 nan 0.000 0.486 285 A N 5.643 128.114 122.820 -0.583 0.000 2.305 285 A HA 0.814 5.135 4.320 0.003 0.000 0.322 285 A C -1.930 175.038 177.584 -1.027 0.000 1.187 285 A CA -0.431 51.198 52.037 -0.681 0.000 0.825 285 A CB 0.642 19.507 19.000 -0.225 0.000 1.164 285 A HN 0.889 nan 8.150 nan 0.000 0.498 286 F N 1.513 120.818 119.950 -1.076 0.000 2.628 286 F HA 0.674 5.203 4.527 0.002 0.000 0.309 286 F C 0.093 175.601 175.800 -0.488 0.000 1.108 286 F CA 0.650 58.174 58.000 -0.793 0.000 0.971 286 F CB 1.743 40.222 39.000 -0.868 0.000 1.279 286 F HN 1.153 nan 8.300 nan 0.000 0.441 287 G N 3.870 112.062 108.800 -1.013 0.000 2.341 287 G HA2 0.350 4.311 3.960 0.003 0.000 0.299 287 G HA3 0.350 4.311 3.960 0.003 0.000 0.299 287 G C -2.310 172.357 174.900 -0.388 0.000 1.274 287 G CA -1.096 43.620 45.100 -0.639 0.000 0.853 287 G HN 0.714 nan 8.290 nan 0.000 0.493 288 K N 0.107 120.331 120.400 -0.293 0.000 2.244 288 K HA 0.744 5.066 4.320 0.003 0.000 0.260 288 K C -0.088 176.326 176.600 -0.311 0.000 0.951 288 K CA -0.660 55.377 56.287 -0.417 0.000 0.826 288 K CB 1.193 33.372 32.500 -0.535 0.000 1.108 288 K HN 0.418 nan 8.250 nan 0.000 0.433 289 L N 1.768 122.822 121.223 -0.283 0.000 2.569 289 L HA 0.278 4.620 4.340 0.003 0.000 0.247 289 L C 1.443 178.183 176.870 -0.218 0.000 1.135 289 L CA -0.595 54.129 54.840 -0.193 0.000 0.812 289 L CB 1.259 43.276 42.059 -0.071 0.000 1.431 289 L HN 0.775 nan 8.230 nan 0.000 0.499 290 S N -0.053 115.557 115.700 -0.150 0.000 2.383 290 S HA -0.100 4.372 4.470 0.003 0.000 0.229 290 S C 1.022 175.533 174.600 -0.149 0.000 1.030 290 S CA 1.306 59.425 58.200 -0.136 0.000 1.002 290 S CB -0.163 62.984 63.200 -0.087 0.000 0.829 290 S HN 0.574 nan 8.310 nan 0.000 0.467 291 N N 0.560 119.179 118.700 -0.134 0.000 2.197 291 N HA 0.187 4.929 4.740 0.003 0.000 0.228 291 N C -0.566 174.852 175.510 -0.153 0.000 1.212 291 N CA 0.229 53.206 53.050 -0.122 0.000 0.883 291 N CB 1.169 39.622 38.487 -0.057 0.000 1.107 291 N HN 0.442 nan 8.380 nan 0.000 0.519 292 S N -1.106 114.440 115.700 -0.256 0.000 2.645 292 S HA 0.411 4.883 4.470 0.003 0.000 0.268 292 S C -2.049 172.340 174.600 -0.352 0.000 1.110 292 S CA -1.022 57.036 58.200 -0.236 0.000 0.823 292 S CB 0.778 63.970 63.200 -0.013 0.000 1.091 292 S HN 0.158 nan 8.310 nan 0.000 0.466 293 W N 0.936 122.235 121.300 -0.001 0.000 2.438 293 W HA 0.715 5.377 4.660 0.002 0.000 0.324 293 W C -0.451 176.056 176.519 -0.020 0.000 1.119 293 W CA -0.587 56.715 57.345 -0.071 0.000 1.221 293 W CB 0.989 30.423 29.460 -0.043 0.000 1.253 293 W HN 0.619 nan 8.180 nan 0.000 0.555 294 F N 3.269 123.217 119.950 -0.003 0.000 2.436 294 F HA 0.622 5.150 4.527 0.002 0.000 0.340 294 F C -0.638 175.115 175.800 -0.079 0.000 1.113 294 F CA -1.229 56.749 58.000 -0.036 0.000 1.022 294 F CB 0.586 39.542 39.000 -0.073 0.000 1.128 294 F HN 0.219 nan 8.300 nan 0.000 0.466 295 C N 4.417 123.158 119.300 -0.932 0.000 2.369 295 C HA 0.793 5.255 4.460 0.003 0.000 0.322 295 C C 0.448 174.731 174.990 -1.178 0.000 1.258 295 C CA -0.953 57.602 59.018 -0.772 0.000 1.487 295 C CB 0.572 28.285 27.740 -0.045 0.000 2.165 295 C HN 1.078 nan 8.230 nan 0.000 0.483 296 G N 3.159 111.436 108.800 -0.872 0.000 2.417 296 G HA2 0.657 4.618 3.960 0.003 0.000 0.320 296 G HA3 0.657 4.618 3.960 0.003 0.000 0.320 296 G C -0.860 174.037 174.900 -0.004 0.000 1.204 296 G CA -0.319 44.600 45.100 -0.301 0.000 0.923 296 G HN 0.698 nan 8.290 nan 0.000 0.466 297 L N 3.254 124.539 121.223 0.103 0.000 2.352 297 L HA 0.515 4.856 4.340 0.003 0.000 0.269 297 L C -1.744 175.234 176.870 0.181 0.000 1.034 297 L CA -2.158 52.814 54.840 0.220 0.000 0.806 297 L CB 2.339 44.510 42.059 0.186 0.000 1.244 297 L HN 0.335 nan 8.230 nan 0.000 0.447 298 P HA 0.050 nan 4.420 nan 0.000 0.274 298 P C 0.402 177.777 177.300 0.125 0.000 1.237 298 P CA -0.255 62.940 63.100 0.157 0.000 0.793 298 P CB 0.845 32.643 31.700 0.164 0.000 0.977 299 G N 1.714 110.577 108.800 0.106 0.000 2.421 299 G HA2 -0.199 3.763 3.960 0.003 0.000 0.216 299 G HA3 -0.199 3.763 3.960 0.003 0.000 0.216 299 G C 0.668 175.623 174.900 0.092 0.000 1.171 299 G CA 0.321 45.474 45.100 0.088 0.000 0.775 299 G HN 0.541 nan 8.290 nan 0.000 0.543 300 N N 1.308 120.072 118.700 0.107 0.000 2.356 300 N HA 0.123 4.865 4.740 0.003 0.000 0.252 300 N C -1.180 174.421 175.510 0.152 0.000 1.241 300 N CA -0.627 52.498 53.050 0.125 0.000 0.861 300 N CB 1.635 40.203 38.487 0.134 0.000 1.075 300 N HN 0.047 nan 8.380 nan 0.000 0.461 301 P HA -0.091 nan 4.420 nan 0.000 0.218 301 P C 1.014 178.556 177.300 0.403 0.000 1.152 301 P CA 0.805 64.019 63.100 0.191 0.000 0.826 301 P CB 0.249 32.008 31.700 0.098 0.000 0.790 302 V N 0.565 120.740 119.914 0.434 0.000 2.358 302 V HA -0.196 3.925 4.120 0.003 0.000 0.246 302 V C 2.616 178.911 176.094 0.335 0.000 1.047 302 V CA 2.398 64.974 62.300 0.460 0.000 1.035 302 V CB -1.554 30.415 31.823 0.242 0.000 0.658 302 V HN 0.155 nan 8.190 nan 0.000 0.452 303 S N 0.565 116.405 115.700 0.232 0.000 2.355 303 S HA -0.148 4.324 4.470 0.003 0.000 0.222 303 S C 2.280 176.987 174.600 0.179 0.000 1.031 303 S CA 1.328 59.635 58.200 0.179 0.000 0.993 303 S CB -0.603 62.687 63.200 0.150 0.000 0.859 303 S HN 0.636 nan 8.310 nan 0.000 0.453 304 A N 1.525 124.455 122.820 0.184 0.000 1.892 304 A HA -0.178 4.144 4.320 0.003 0.000 0.218 304 A C 2.360 180.060 177.584 0.193 0.000 1.188 304 A CA 2.304 54.442 52.037 0.169 0.000 0.631 304 A CB -1.460 17.616 19.000 0.127 0.000 0.822 304 A HN 0.468 nan 8.150 nan 0.000 0.447 305 T N -0.189 114.499 114.554 0.223 0.000 2.857 305 T HA -0.024 4.328 4.350 0.003 0.000 0.266 305 T C 1.779 176.633 174.700 0.257 0.000 1.048 305 T CA 1.091 63.321 62.100 0.216 0.000 1.139 305 T CB -0.181 68.813 68.868 0.209 0.000 0.874 305 T HN 0.330 nan 8.240 nan 0.000 0.455 306 L N 0.891 122.252 121.223 0.231 0.000 2.131 306 L HA -0.021 4.321 4.340 0.003 0.000 0.206 306 L C 2.193 179.060 176.870 -0.006 0.000 1.087 306 L CA 1.628 56.533 54.840 0.109 0.000 0.767 306 L CB -1.194 40.904 42.059 0.065 0.000 0.917 306 L HN 0.250 nan 8.230 nan 0.000 0.441 307 T N 0.023 114.591 114.554 0.024 0.000 2.821 307 T HA -0.207 4.145 4.350 0.003 0.000 0.267 307 T C 1.562 176.209 174.700 -0.088 0.000 1.046 307 T CA 1.592 63.637 62.100 -0.092 0.000 1.139 307 T CB -0.412 68.434 68.868 -0.036 0.000 0.871 307 T HN 0.385 nan 8.240 nan 0.000 0.454 308 F N 0.547 120.470 119.950 -0.045 0.000 2.146 308 F HA -0.080 4.448 4.527 0.003 0.000 0.298 308 F C 2.110 177.892 175.800 -0.030 0.000 1.096 308 F CA 0.948 58.930 58.000 -0.029 0.000 1.275 308 F CB -0.345 38.669 39.000 0.023 0.000 1.008 308 F HN 0.169 nan 8.300 nan 0.000 0.480 309 Y N 0.408 120.773 120.300 0.108 0.000 2.263 309 Y HA -0.169 4.383 4.550 0.003 0.000 0.292 309 Y C 2.286 178.082 175.900 -0.172 0.000 1.130 309 Y CA 1.565 59.696 58.100 0.051 0.000 1.179 309 Y CB -0.130 38.434 38.460 0.173 0.000 0.998 309 Y HN 0.057 nan 8.280 nan 0.000 0.532 310 Q N -0.599 119.163 119.800 -0.063 0.000 2.376 310 Q HA 0.089 4.430 4.340 0.003 0.000 0.206 310 Q C 1.897 177.723 176.000 -0.291 0.000 0.921 310 Q CA 0.811 56.480 55.803 -0.222 0.000 0.911 310 Q CB 0.648 29.109 28.738 -0.462 0.000 1.032 310 Q HN 0.529 nan 8.270 nan 0.000 0.510 311 L N -1.318 119.686 121.223 -0.366 0.000 2.519 311 L HA 0.064 4.406 4.340 0.003 0.000 0.194 311 L C 2.032 178.658 176.870 -0.407 0.000 1.072 311 L CA 0.240 54.823 54.840 -0.428 0.000 0.845 311 L CB 0.138 41.789 42.059 -0.680 0.000 1.138 311 L HN -0.125 nan 8.230 nan 0.000 0.487 312 V N -0.235 119.384 119.914 -0.492 0.000 2.488 312 V HA -0.222 3.900 4.120 0.003 0.000 0.246 312 V C 2.267 178.010 176.094 -0.586 0.000 1.046 312 V CA 1.526 63.522 62.300 -0.507 0.000 1.053 312 V CB -0.353 31.088 31.823 -0.637 0.000 0.679 312 V HN 0.462 nan 8.190 nan 0.000 0.458 313 Q N 0.289 119.654 119.800 -0.726 0.000 2.030 313 Q HA -0.208 4.134 4.340 0.003 0.000 0.204 313 Q C -0.088 175.713 176.000 -0.332 0.000 0.986 313 Q CA 2.430 57.914 55.803 -0.532 0.000 0.843 313 Q CB -0.985 27.439 28.738 -0.523 0.000 0.904 313 Q HN 0.479 nan 8.270 nan 0.000 0.420 314 P HA -0.195 nan 4.420 nan 0.000 0.215 314 P C 1.413 178.593 177.300 -0.200 0.000 1.157 314 P CA 1.113 64.083 63.100 -0.216 0.000 0.874 314 P CB -0.203 31.372 31.700 -0.207 0.000 0.790 315 L N -1.148 119.939 121.223 -0.227 0.000 2.012 315 L HA -0.184 4.158 4.340 0.003 0.000 0.210 315 L C 2.301 179.076 176.870 -0.159 0.000 1.073 315 L CA 1.691 56.410 54.840 -0.201 0.000 0.748 315 L CB -0.845 41.099 42.059 -0.191 0.000 0.891 315 L HN -0.132 nan 8.230 nan 0.000 0.431 316 L N -0.586 120.539 121.223 -0.163 0.000 2.046 316 L HA -0.191 4.151 4.340 0.003 0.000 0.208 316 L C 2.828 179.642 176.870 -0.093 0.000 1.077 316 L CA 1.086 55.860 54.840 -0.110 0.000 0.747 316 L CB -1.033 40.956 42.059 -0.116 0.000 0.896 316 L HN 0.375 nan 8.230 nan 0.000 0.432 317 A N 0.317 123.066 122.820 -0.117 0.000 1.908 317 A HA -0.279 4.043 4.320 0.003 0.000 0.218 317 A C 2.428 179.967 177.584 -0.076 0.000 1.181 317 A CA 2.218 54.199 52.037 -0.094 0.000 0.627 317 A CB -0.461 18.475 19.000 -0.106 0.000 0.818 317 A HN 0.371 nan 8.150 nan 0.000 0.445 318 K N -0.452 119.896 120.400 -0.087 0.000 2.062 318 K HA 0.017 4.339 4.320 0.003 0.000 0.205 318 K C 1.882 178.453 176.600 -0.048 0.000 1.051 318 K CA 1.068 57.313 56.287 -0.071 0.000 0.941 318 K CB -0.299 32.148 32.500 -0.088 0.000 0.719 318 K HN 0.436 nan 8.250 nan 0.000 0.440 319 L N 1.419 122.614 121.223 -0.047 0.000 2.079 319 L HA -0.199 4.143 4.340 0.003 0.000 0.210 319 L C 2.477 179.348 176.870 0.002 0.000 1.081 319 L CA 1.602 56.437 54.840 -0.007 0.000 0.752 319 L CB -0.538 41.529 42.059 0.013 0.000 0.896 319 L HN 0.352 nan 8.230 nan 0.000 0.433 320 S N -0.644 115.048 115.700 -0.014 0.000 2.469 320 S HA -0.042 4.430 4.470 0.003 0.000 0.238 320 S C 1.656 176.250 174.600 -0.011 0.000 0.998 320 S CA 0.773 58.966 58.200 -0.012 0.000 0.957 320 S CB -0.127 63.058 63.200 -0.024 0.000 0.764 320 S HN 0.601 nan 8.310 nan 0.000 0.514 321 G N 1.060 109.852 108.800 -0.013 0.000 2.176 321 G HA2 -0.247 3.715 3.960 0.003 0.000 0.232 321 G HA3 -0.247 3.715 3.960 0.003 0.000 0.232 321 G C -0.089 174.799 174.900 -0.020 0.000 0.986 321 G CA -0.059 45.034 45.100 -0.011 0.000 0.643 321 G HN 0.628 nan 8.290 nan 0.000 0.522 322 N N 1.520 120.202 118.700 -0.030 0.000 2.440 322 N HA 0.257 4.998 4.740 0.003 0.000 0.265 322 N C 1.689 177.180 175.510 -0.032 0.000 1.239 322 N CA 1.021 54.049 53.050 -0.037 0.000 0.909 322 N CB 0.916 39.374 38.487 -0.048 0.000 1.066 322 N HN 0.449 nan 8.380 nan 0.000 0.474 323 T N 0.124 114.663 114.554 -0.025 0.000 3.169 323 T HA 0.330 4.681 4.350 0.003 0.000 0.250 323 T C 0.620 175.308 174.700 -0.021 0.000 1.111 323 T CA -0.412 61.677 62.100 -0.019 0.000 1.010 323 T CB 0.034 68.896 68.868 -0.009 0.000 0.984 323 T HN 0.465 nan 8.240 nan 0.000 0.537 324 A N 1.832 124.635 122.820 -0.028 0.000 2.301 324 A HA 0.665 4.987 4.320 0.003 0.000 0.312 324 A C 0.580 178.144 177.584 -0.032 0.000 1.182 324 A CA -0.814 51.207 52.037 -0.026 0.000 0.826 324 A CB 0.532 19.515 19.000 -0.029 0.000 1.134 324 A HN 0.496 nan 8.150 nan 0.000 0.501 325 S N 1.361 117.045 115.700 -0.027 0.000 2.554 325 S HA 0.214 4.685 4.470 0.003 0.000 0.290 325 S C 1.229 175.808 174.600 -0.036 0.000 1.309 325 S CA 0.018 58.199 58.200 -0.031 0.000 1.047 325 S CB 0.719 63.907 63.200 -0.019 0.000 0.828 325 S HN 1.196 nan 8.310 nan 0.000 0.509 326 G N 1.004 109.774 108.800 -0.050 0.000 2.709 326 G HA2 0.194 4.155 3.960 0.003 0.000 0.208 326 G HA3 0.194 4.155 3.960 0.003 0.000 0.208 326 G C 0.353 175.222 174.900 -0.053 0.000 1.129 326 G CA -0.396 44.664 45.100 -0.067 0.000 0.793 326 G HN 0.555 nan 8.290 nan 0.000 0.524 327 L N 1.077 122.284 121.223 -0.027 0.000 2.506 327 L HA 0.183 4.525 4.340 0.003 0.000 0.281 327 L C -1.568 175.340 176.870 0.064 0.000 1.228 327 L CA -1.065 53.791 54.840 0.025 0.000 0.850 327 L CB -0.540 41.546 42.059 0.045 0.000 1.110 327 L HN -0.012 nan 8.230 nan 0.000 0.496 328 P HA 0.188 nan 4.420 nan 0.000 0.249 328 P C 0.038 177.418 177.300 0.133 0.000 1.241 328 P CA 0.341 63.531 63.100 0.150 0.000 0.781 328 P CB 0.316 32.163 31.700 0.246 0.000 1.088 329 A N 0.029 122.919 122.820 0.116 0.000 2.431 329 A HA -0.158 4.164 4.320 0.003 0.000 0.685 329 A C 0.015 177.659 177.584 0.100 0.000 0.140 329 A CA -0.137 51.953 52.037 0.090 0.000 0.038 329 A CB -1.037 18.001 19.000 0.064 0.000 3.966 329 A HN 0.217 nan 8.150 nan 0.000 0.547 330 R N 1.343 121.894 120.500 0.084 0.000 2.553 330 R HA 0.755 5.097 4.340 0.003 0.000 0.263 330 R C 0.354 176.691 176.300 0.062 0.000 1.066 330 R CA -0.018 56.132 56.100 0.083 0.000 1.135 330 R CB 1.084 31.427 30.300 0.070 0.000 1.148 330 R HN 1.102 nan 8.270 nan 0.000 0.558 331 Q N 0.611 120.449 119.800 0.065 0.000 2.386 331 Q HA 0.330 4.671 4.340 0.003 0.000 0.274 331 Q C -1.539 174.512 176.000 0.086 0.000 1.011 331 Q CA -0.902 54.939 55.803 0.063 0.000 0.867 331 Q CB 2.105 30.880 28.738 0.062 0.000 1.409 331 Q HN 0.501 nan 8.270 nan 0.000 0.395 332 R N 2.019 122.582 120.500 0.105 0.000 2.234 332 R HA 0.656 4.998 4.340 0.003 0.000 0.324 332 R C -1.414 175.105 176.300 0.365 0.000 1.054 332 R CA -0.097 56.120 56.100 0.195 0.000 0.912 332 R CB 1.213 31.552 30.300 0.065 0.000 1.030 332 R HN 0.520 nan 8.270 nan 0.000 0.455 333 V N 4.205 124.337 119.914 0.364 0.000 3.120 333 V HA 0.420 4.542 4.120 0.003 0.000 0.303 333 V C -0.587 175.480 176.094 -0.045 0.000 1.238 333 V CA -1.042 61.353 62.300 0.158 0.000 1.008 333 V CB 2.440 34.299 31.823 0.061 0.000 1.064 333 V HN 0.769 nan 8.190 nan 0.000 0.434 334 R N 1.175 121.489 120.500 -0.310 0.000 2.357 334 R HA 0.503 4.845 4.340 0.003 0.000 0.296 334 R C -0.292 175.877 176.300 -0.219 0.000 1.052 334 R CA -0.438 55.409 56.100 -0.423 0.000 0.988 334 R CB 1.282 31.247 30.300 -0.558 0.000 1.025 334 R HN 0.804 nan 8.270 nan 0.000 0.469 335 T N 0.896 115.344 114.554 -0.176 0.000 2.926 335 T HA 0.159 4.511 4.350 0.003 0.000 0.307 335 T C 0.914 175.539 174.700 -0.125 0.000 1.059 335 T CA -0.360 61.667 62.100 -0.121 0.000 1.122 335 T CB 1.247 70.061 68.868 -0.090 0.000 0.972 335 T HN 0.706 nan 8.240 nan 0.000 0.545 336 A N 1.606 124.367 122.820 -0.099 0.000 2.564 336 A HA 0.576 4.898 4.320 0.003 0.000 0.279 336 A C 0.652 178.193 177.584 -0.071 0.000 1.232 336 A CA -0.335 51.649 52.037 -0.089 0.000 0.950 336 A CB -0.063 18.887 19.000 -0.083 0.000 1.138 336 A HN 0.942 nan 8.150 nan 0.000 0.526 337 S N -1.215 114.444 115.700 -0.068 0.000 2.611 337 S HA 0.572 5.044 4.470 0.003 0.000 0.268 337 S C -0.835 173.735 174.600 -0.050 0.000 1.156 337 S CA -0.866 57.301 58.200 -0.056 0.000 0.817 337 S CB 0.970 64.138 63.200 -0.052 0.000 1.122 337 S HN 0.340 nan 8.310 nan 0.000 0.466 338 R N 0.519 120.994 120.500 -0.042 0.000 2.340 338 R HA 0.534 4.876 4.340 0.003 0.000 0.300 338 R C -1.229 175.052 176.300 -0.031 0.000 1.069 338 R CA -0.413 55.666 56.100 -0.036 0.000 0.984 338 R CB 0.179 30.460 30.300 -0.032 0.000 1.003 338 R HN 0.694 nan 8.270 nan 0.000 0.459 339 L N 4.607 125.814 121.223 -0.027 0.000 2.349 339 L HA 0.404 4.745 4.340 0.003 0.000 0.278 339 L C -0.311 176.551 176.870 -0.014 0.000 0.996 339 L CA -0.783 54.045 54.840 -0.021 0.000 0.825 339 L CB 1.927 43.972 42.059 -0.023 0.000 1.243 339 L HN 0.419 nan 8.230 nan 0.000 0.412 340 K N 3.209 123.604 120.400 -0.007 0.000 2.316 340 K HA 0.275 4.597 4.320 0.003 0.000 0.289 340 K C -0.511 176.092 176.600 0.005 0.000 1.070 340 K CA -0.175 56.111 56.287 -0.001 0.000 0.928 340 K CB 0.628 33.130 32.500 0.004 0.000 1.039 340 K HN 0.214 nan 8.250 nan 0.000 0.480 341 K N 1.889 122.291 120.400 0.002 0.000 2.541 341 K HA 0.261 4.583 4.320 0.003 0.000 0.250 341 K C -1.270 175.332 176.600 0.003 0.000 0.950 341 K CA -0.380 55.908 56.287 0.001 0.000 0.805 341 K CB 1.547 34.041 32.500 -0.009 0.000 1.166 341 K HN 0.322 nan 8.250 nan 0.000 0.430 342 T N 6.545 121.105 114.554 0.009 0.000 2.806 342 T HA 0.405 4.756 4.350 0.003 0.000 0.290 342 T C -2.489 172.214 174.700 0.005 0.000 0.966 342 T CA -1.354 60.752 62.100 0.010 0.000 1.060 342 T CB 1.121 69.999 68.868 0.018 0.000 0.927 342 T HN 0.451 nan 8.240 nan 0.000 0.485 343 P HA 0.386 nan 4.420 nan 0.000 0.271 343 P C 0.987 178.289 177.300 0.004 0.000 1.218 343 P CA 0.292 63.391 63.100 -0.001 0.000 0.780 343 P CB 0.681 32.381 31.700 -0.001 0.000 0.901 344 G N 1.731 110.532 108.800 0.001 0.000 2.352 344 G HA2 -0.145 3.816 3.960 0.003 0.000 0.204 344 G HA3 -0.145 3.816 3.960 0.003 0.000 0.204 344 G C 0.066 174.971 174.900 0.009 0.000 1.004 344 G CA -0.488 44.615 45.100 0.006 0.000 0.648 344 G HN 0.550 nan 8.290 nan 0.000 0.491 345 R N -0.151 120.355 120.500 0.010 0.000 2.599 345 R HA 0.564 4.906 4.340 0.003 0.000 0.295 345 R C -0.972 175.324 176.300 -0.005 0.000 0.963 345 R CA -0.950 55.160 56.100 0.016 0.000 0.883 345 R CB 2.282 32.602 30.300 0.034 0.000 1.171 345 R HN 0.231 nan 8.270 nan 0.000 0.450 346 L N 3.269 124.485 121.223 -0.012 0.000 2.433 346 L HA 0.111 4.453 4.340 0.003 0.000 0.284 346 L C -0.403 176.410 176.870 -0.095 0.000 1.120 346 L CA 0.247 55.041 54.840 -0.077 0.000 0.879 346 L CB -0.104 41.912 42.059 -0.071 0.000 1.232 346 L HN 0.376 nan 8.230 nan 0.000 0.454 347 D N 4.222 124.549 120.400 -0.122 0.000 2.317 347 D HA 0.100 4.742 4.640 0.003 0.000 0.252 347 D C -0.713 175.488 176.300 -0.164 0.000 1.174 347 D CA 0.097 54.063 54.000 -0.057 0.000 0.866 347 D CB 0.414 41.198 40.800 -0.025 0.000 1.127 347 D HN 0.358 nan 8.370 nan 0.000 0.467 348 F N 3.236 123.168 119.950 -0.031 0.000 2.441 348 F HA 0.181 4.710 4.527 0.003 0.000 0.337 348 F C 1.149 177.009 175.800 0.100 0.000 1.182 348 F CA -0.579 57.399 58.000 -0.037 0.000 1.279 348 F CB 0.199 39.035 39.000 -0.273 0.000 1.614 348 F HN 0.110 nan 8.300 nan 0.000 0.574 349 Q N 1.052 120.958 119.800 0.176 0.000 2.421 349 Q HA 0.271 4.612 4.340 0.003 0.000 0.255 349 Q C 0.092 176.181 176.000 0.149 0.000 1.013 349 Q CA -0.360 55.512 55.803 0.115 0.000 0.895 349 Q CB 0.935 29.693 28.738 0.034 0.000 1.271 349 Q HN 0.334 nan 8.270 nan 0.000 0.460 350 R N 0.182 120.678 120.500 -0.007 0.000 2.349 350 R HA 0.598 4.939 4.340 0.003 0.000 0.299 350 R C -0.087 176.116 176.300 -0.162 0.000 1.027 350 R CA 0.091 56.104 56.100 -0.145 0.000 0.958 350 R CB 1.411 31.528 30.300 -0.305 0.000 1.047 350 R HN 0.757 nan 8.270 nan 0.000 0.468 351 G N -0.149 108.508 108.800 -0.239 0.000 2.727 351 G HA2 0.557 4.519 3.960 0.003 0.000 0.289 351 G HA3 0.557 4.519 3.960 0.003 0.000 0.289 351 G C -1.623 173.114 174.900 -0.272 0.000 1.418 351 G CA -0.566 44.410 45.100 -0.207 0.000 0.818 351 G HN 0.343 nan 8.290 nan 0.000 0.486 352 V N 0.614 120.412 119.914 -0.194 0.000 2.407 352 V HA 0.455 4.577 4.120 0.003 0.000 0.291 352 V C -0.814 175.194 176.094 -0.144 0.000 1.018 352 V CA -0.709 61.483 62.300 -0.179 0.000 0.842 352 V CB 1.322 33.068 31.823 -0.128 0.000 0.996 352 V HN 0.574 nan 8.190 nan 0.000 0.426 353 L N 6.298 127.432 121.223 -0.149 0.000 2.257 353 L HA 0.562 4.903 4.340 0.003 0.000 0.290 353 L C -0.005 176.817 176.870 -0.080 0.000 1.044 353 L CA 0.273 55.050 54.840 -0.106 0.000 0.810 353 L CB 1.027 43.023 42.059 -0.106 0.000 1.193 353 L HN 0.848 nan 8.230 nan 0.000 0.425 354 Q N 4.706 124.467 119.800 -0.065 0.000 2.305 354 Q HA 0.467 4.808 4.340 0.003 0.000 0.271 354 Q C -0.652 175.323 176.000 -0.042 0.000 1.046 354 Q CA -0.974 54.798 55.803 -0.051 0.000 0.798 354 Q CB 1.834 30.541 28.738 -0.052 0.000 1.286 354 Q HN 0.448 nan 8.270 nan 0.000 0.435 355 R N 2.004 122.485 120.500 -0.031 0.000 2.537 355 R HA -0.009 4.332 4.340 0.003 0.000 0.281 355 R C -0.137 176.145 176.300 -0.030 0.000 0.988 355 R CA 0.397 56.482 56.100 -0.025 0.000 1.077 355 R CB 0.330 30.620 30.300 -0.017 0.000 0.932 355 R HN 0.747 nan 8.270 nan 0.000 0.409 356 N N 2.454 121.135 118.700 -0.032 0.000 2.405 356 N HA 0.131 4.872 4.740 0.003 0.000 0.269 356 N C 0.505 176.000 175.510 -0.025 0.000 1.249 356 N CA -0.078 52.952 53.050 -0.033 0.000 0.974 356 N CB 0.427 38.889 38.487 -0.042 0.000 1.204 356 N HN 0.457 nan 8.380 nan 0.000 0.565 357 A N -0.951 121.854 122.820 -0.025 0.000 2.125 357 A HA -0.145 4.177 4.320 0.003 0.000 0.219 357 A C 1.013 178.587 177.584 -0.017 0.000 1.156 357 A CA 1.231 53.256 52.037 -0.020 0.000 0.671 357 A CB -0.631 18.357 19.000 -0.020 0.000 0.794 357 A HN 0.744 nan 8.150 nan 0.000 0.459 358 D N -1.830 118.558 120.400 -0.021 0.000 2.339 358 D HA 0.252 4.894 4.640 0.003 0.000 0.217 358 D C 1.437 177.730 176.300 -0.012 0.000 1.050 358 D CA 0.959 54.949 54.000 -0.017 0.000 0.856 358 D CB 0.469 41.256 40.800 -0.022 0.000 0.922 358 D HN 0.565 nan 8.370 nan 0.000 0.518 359 G N 1.915 110.708 108.800 -0.012 0.000 2.279 359 G HA2 -0.234 3.727 3.960 0.003 0.000 0.223 359 G HA3 -0.234 3.727 3.960 0.003 0.000 0.223 359 G C 0.368 175.266 174.900 -0.003 0.000 1.015 359 G CA 0.156 45.252 45.100 -0.006 0.000 0.621 359 G HN 0.440 nan 8.290 nan 0.000 0.506 360 E N 1.154 121.350 120.200 -0.007 0.000 2.314 360 E HA 0.644 4.996 4.350 0.003 0.000 0.262 360 E C -0.631 175.960 176.600 -0.015 0.000 1.093 360 E CA -0.911 55.487 56.400 -0.002 0.000 0.908 360 E CB 1.604 31.305 29.700 0.001 0.000 1.091 360 E HN 0.130 nan 8.360 nan 0.000 0.425 361 L N 1.785 123.005 121.223 -0.006 0.000 2.305 361 L HA 0.215 4.557 4.340 0.003 0.000 0.281 361 L C 0.071 176.918 176.870 -0.039 0.000 1.085 361 L CA 0.310 55.140 54.840 -0.016 0.000 0.813 361 L CB 0.583 42.643 42.059 0.002 0.000 1.157 361 L HN 0.757 nan 8.230 nan 0.000 0.436 362 E N 2.888 123.054 120.200 -0.056 0.000 2.429 362 E HA 0.754 5.106 4.350 0.003 0.000 0.276 362 E C -1.583 174.971 176.600 -0.076 0.000 0.953 362 E CA -1.055 55.297 56.400 -0.080 0.000 0.787 362 E CB 1.967 31.607 29.700 -0.100 0.000 1.307 362 E HN 0.208 nan 8.360 nan 0.000 0.458 363 V N -1.137 118.727 119.914 -0.084 0.000 2.680 363 V HA 0.723 4.844 4.120 0.003 0.000 0.309 363 V C -0.389 175.654 176.094 -0.084 0.000 1.052 363 V CA -0.523 61.727 62.300 -0.084 0.000 0.908 363 V CB 1.431 33.208 31.823 -0.076 0.000 1.001 363 V HN 0.799 nan 8.190 nan 0.000 0.431 364 T N 1.749 116.251 114.554 -0.087 0.000 2.942 364 T HA 0.515 4.867 4.350 0.003 0.000 0.289 364 T C 0.019 174.669 174.700 -0.083 0.000 1.044 364 T CA -0.251 61.802 62.100 -0.079 0.000 1.023 364 T CB 1.814 70.638 68.868 -0.073 0.000 1.123 364 T HN 1.064 nan 8.240 nan 0.000 0.512 365 T N 0.446 114.958 114.554 -0.070 0.000 2.868 365 T HA 0.235 4.586 4.350 0.003 0.000 0.292 365 T C 1.607 176.261 174.700 -0.077 0.000 1.028 365 T CA 0.155 62.213 62.100 -0.069 0.000 1.059 365 T CB 0.475 69.314 68.868 -0.049 0.000 0.991 365 T HN 0.771 nan 8.240 nan 0.000 0.531 366 T N 0.466 114.967 114.554 -0.089 0.000 3.067 366 T HA 0.496 4.848 4.350 0.003 0.000 0.257 366 T C 1.232 175.896 174.700 -0.059 0.000 1.105 366 T CA 0.597 62.644 62.100 -0.089 0.000 1.104 366 T CB -0.258 68.534 68.868 -0.127 0.000 0.925 366 T HN 1.225 nan 8.240 nan 0.000 0.498 367 G N 0.949 109.725 108.800 -0.040 0.000 2.217 367 G HA2 0.024 3.986 3.960 0.003 0.000 0.173 367 G HA3 0.024 3.986 3.960 0.003 0.000 0.173 367 G C -1.149 173.779 174.900 0.046 0.000 1.324 367 G CA -0.460 44.636 45.100 -0.006 0.000 1.225 367 G HN 0.629 nan 8.290 nan 0.000 0.494 368 H N 1.802 120.835 119.070 -0.062 0.000 2.848 368 H HA 0.487 5.044 4.556 0.002 0.000 0.341 368 H C 1.048 176.328 175.328 -0.079 0.000 1.060 368 H CA 0.466 56.482 56.048 -0.054 0.000 1.444 368 H CB 1.239 30.974 29.762 -0.046 0.000 1.446 368 H HN 0.388 nan 8.280 nan 0.000 0.583 369 Q N 3.285 123.235 119.800 0.249 0.000 2.247 369 Q HA 0.195 4.537 4.340 0.003 0.000 0.211 369 Q C 0.879 176.845 176.000 -0.057 0.000 0.861 369 Q CA 0.123 55.940 55.803 0.022 0.000 0.949 369 Q CB 0.731 29.505 28.738 0.060 0.000 1.115 369 Q HN 0.823 nan 8.270 nan 0.000 0.507 370 G N 0.446 109.107 108.800 -0.231 0.000 2.690 370 G HA2 0.073 4.034 3.960 0.003 0.000 0.239 370 G HA3 0.073 4.034 3.960 0.003 0.000 0.239 370 G C 0.625 175.488 174.900 -0.061 0.000 1.233 370 G CA -0.210 44.821 45.100 -0.115 0.000 0.847 370 G HN 0.137 nan 8.290 nan 0.000 0.588 371 S N 0.042 115.829 115.700 0.146 0.000 2.561 371 S HA -0.044 4.428 4.470 0.003 0.000 0.225 371 S C 1.618 176.338 174.600 0.200 0.000 0.977 371 S CA 0.706 58.993 58.200 0.146 0.000 0.926 371 S CB -0.167 63.122 63.200 0.148 0.000 0.769 371 S HN 0.809 nan 8.310 nan 0.000 0.533 372 H N 0.220 119.287 119.070 -0.005 0.000 2.539 372 H HA 0.322 4.880 4.556 0.004 0.000 0.269 372 H C 0.318 175.672 175.328 0.043 0.000 0.980 372 H CA -0.373 55.693 56.048 0.031 0.000 1.152 372 H CB -0.439 29.328 29.762 0.009 0.000 1.407 372 H HN 0.351 nan 8.280 nan 0.000 0.564 373 I N 1.314 121.687 120.570 -0.329 0.000 2.395 373 I HA 0.054 4.225 4.170 0.003 0.000 0.282 373 I C 0.466 176.534 176.117 -0.081 0.000 1.107 373 I CA -0.651 60.487 61.300 -0.270 0.000 1.210 373 I CB 0.040 37.768 38.000 -0.453 0.000 1.456 373 I HN -0.081 nan 8.210 nan 0.000 0.504 374 F N 3.639 123.574 119.950 -0.024 0.000 2.365 374 F HA -0.207 4.322 4.527 0.003 0.000 0.300 374 F C 2.615 178.482 175.800 0.111 0.000 1.090 374 F CA 1.675 59.743 58.000 0.113 0.000 1.408 374 F CB 0.292 39.385 39.000 0.154 0.000 1.060 374 F HN 0.508 nan 8.300 nan 0.000 0.534 375 S N -0.692 115.055 115.700 0.080 0.000 2.469 375 S HA -0.188 4.284 4.470 0.003 0.000 0.238 375 S C 2.200 176.739 174.600 -0.103 0.000 0.998 375 S CA 0.916 59.130 58.200 0.023 0.000 0.957 375 S CB -1.212 62.011 63.200 0.039 0.000 0.764 375 S HN 0.509 nan 8.310 nan 0.000 0.514 376 S N 1.542 117.107 115.700 -0.225 0.000 2.402 376 S HA -0.133 4.338 4.470 0.003 0.000 0.233 376 S C 1.458 175.830 174.600 -0.380 0.000 1.030 376 S CA 1.099 59.108 58.200 -0.318 0.000 1.003 376 S CB -1.252 61.693 63.200 -0.426 0.000 0.813 376 S HN 0.575 nan 8.310 nan 0.000 0.477 377 F N 1.756 121.467 119.950 -0.398 0.000 2.293 377 F HA 0.002 4.530 4.527 0.002 0.000 0.300 377 F C 3.099 178.794 175.800 -0.176 0.000 1.086 377 F CA 1.041 58.750 58.000 -0.485 0.000 1.375 377 F CB -0.413 38.021 39.000 -0.943 0.000 1.045 377 F HN 0.357 nan 8.300 nan 0.000 0.516 378 S N 0.243 115.966 115.700 0.039 0.000 2.377 378 S HA -0.055 4.416 4.470 0.003 0.000 0.223 378 S C 2.027 176.650 174.600 0.037 0.000 1.030 378 S CA 0.680 58.927 58.200 0.079 0.000 0.970 378 S CB -0.358 62.891 63.200 0.082 0.000 0.830 378 S HN 0.298 nan 8.310 nan 0.000 0.473 379 L N 1.113 122.325 121.223 -0.018 0.000 2.131 379 L HA 0.110 4.451 4.340 0.003 0.000 0.210 379 L C 1.651 178.479 176.870 -0.070 0.000 1.092 379 L CA 0.678 55.492 54.840 -0.043 0.000 0.759 379 L CB -0.888 41.131 42.059 -0.066 0.000 0.903 379 L HN 0.360 nan 8.230 nan 0.000 0.435 380 G N -0.363 108.382 108.800 -0.093 0.000 2.522 380 G HA2 0.260 4.222 3.960 0.003 0.000 0.304 380 G HA3 0.260 4.222 3.960 0.003 0.000 0.304 380 G C 0.142 174.877 174.900 -0.275 0.000 1.210 380 G CA -0.217 44.751 45.100 -0.219 0.000 0.960 380 G HN 0.338 nan 8.290 nan 0.000 0.497 381 N N -2.292 116.043 118.700 -0.608 0.000 2.184 381 N HA 0.142 4.884 4.740 0.003 0.000 0.234 381 N C -0.017 174.678 175.510 -1.359 0.000 1.282 381 N CA 0.084 52.700 53.050 -0.723 0.000 0.877 381 N CB -0.359 37.958 38.487 -0.283 0.000 1.184 381 N HN 0.795 nan 8.380 nan 0.000 0.510 382 C N -2.398 115.811 119.300 -1.818 0.000 3.306 382 C HA 0.730 5.192 4.460 0.003 0.000 0.335 382 C C -1.451 173.025 174.990 -0.857 0.000 1.382 382 C CA -1.670 56.618 59.018 -1.216 0.000 1.254 382 C CB 0.018 27.481 27.740 -0.461 0.000 1.555 382 C HN 0.054 nan 8.230 nan 0.000 0.463 383 F N 1.272 121.165 119.950 -0.095 0.000 2.421 383 F HA 0.666 5.194 4.527 0.002 0.000 0.337 383 F C 0.471 176.269 175.800 -0.004 0.000 1.105 383 F CA -0.679 57.362 58.000 0.068 0.000 1.049 383 F CB 1.315 40.498 39.000 0.305 0.000 1.139 383 F HN 0.403 nan 8.300 nan 0.000 0.479 384 I N 4.241 124.902 120.570 0.152 0.000 2.281 384 I HA 0.140 4.311 4.170 0.003 0.000 0.293 384 I C -0.496 175.614 176.117 -0.012 0.000 1.085 384 I CA -0.443 60.886 61.300 0.047 0.000 1.257 384 I CB 0.610 38.608 38.000 -0.003 0.000 1.430 384 I HN 0.239 nan 8.210 nan 0.000 0.489 385 V N 7.970 127.834 119.914 -0.083 0.000 2.287 385 V HA 0.102 4.224 4.120 0.003 0.000 0.246 385 V C 0.534 176.478 176.094 -0.250 0.000 1.165 385 V CA -0.129 61.966 62.300 -0.342 0.000 1.088 385 V CB -0.463 31.146 31.823 -0.356 0.000 1.242 385 V HN 0.502 nan 8.190 nan 0.000 0.497 386 L N 4.402 125.492 121.223 -0.222 0.000 2.325 386 L HA 0.287 4.629 4.340 0.003 0.000 0.284 386 L C 0.738 177.521 176.870 -0.145 0.000 1.089 386 L CA -0.515 54.245 54.840 -0.134 0.000 0.836 386 L CB 0.591 42.600 42.059 -0.084 0.000 1.184 386 L HN 0.580 nan 8.230 nan 0.000 0.444 387 E N 2.010 122.145 120.200 -0.108 0.000 2.565 387 E HA -0.150 4.201 4.350 0.003 0.000 0.268 387 E C 0.989 177.548 176.600 -0.068 0.000 1.000 387 E CA 0.251 56.598 56.400 -0.088 0.000 0.964 387 E CB 0.504 30.170 29.700 -0.057 0.000 0.955 387 E HN 0.390 nan 8.360 nan 0.000 0.459 388 R N 1.853 122.317 120.500 -0.059 0.000 2.073 388 R HA -0.187 4.154 4.340 0.003 0.000 0.234 388 R C 0.519 176.804 176.300 -0.026 0.000 1.134 388 R CA 1.744 57.820 56.100 -0.040 0.000 0.952 388 R CB 0.105 30.386 30.300 -0.032 0.000 0.850 388 R HN 0.523 nan 8.270 nan 0.000 0.433 389 D N -0.055 120.330 120.400 -0.024 0.000 2.340 389 D HA -0.021 4.621 4.640 0.003 0.000 0.220 389 D C 0.297 176.588 176.300 -0.014 0.000 1.039 389 D CA 0.164 54.155 54.000 -0.016 0.000 0.866 389 D CB 0.017 40.808 40.800 -0.015 0.000 0.913 389 D HN 0.158 nan 8.370 nan 0.000 0.523 390 R N 0.192 120.681 120.500 -0.018 0.000 2.694 390 R HA 0.356 4.698 4.340 0.003 0.000 0.268 390 R C 0.772 177.065 176.300 -0.011 0.000 1.061 390 R CA 0.013 56.104 56.100 -0.014 0.000 1.133 390 R CB 0.726 31.014 30.300 -0.019 0.000 1.020 390 R HN 0.022 nan 8.270 nan 0.000 0.475 391 G N 1.446 110.242 108.800 -0.007 0.000 3.099 391 G HA2 0.108 4.070 3.960 0.003 0.000 0.151 391 G HA3 0.108 4.070 3.960 0.003 0.000 0.151 391 G C -0.725 174.172 174.900 -0.006 0.000 1.265 391 G CA -0.659 44.438 45.100 -0.005 0.000 0.981 391 G HN 0.607 nan 8.290 nan 0.000 0.601 392 N N -0.198 118.499 118.700 -0.005 0.000 2.353 392 N HA 0.210 4.951 4.740 0.003 0.000 0.248 392 N C -0.193 175.312 175.510 -0.008 0.000 1.240 392 N CA 0.156 53.202 53.050 -0.007 0.000 0.862 392 N CB 1.272 39.755 38.487 -0.007 0.000 1.086 392 N HN 0.146 nan 8.380 nan 0.000 0.453 393 V N 1.323 121.230 119.914 -0.012 0.000 2.628 393 V HA 0.371 4.493 4.120 0.003 0.000 0.306 393 V C 0.185 176.266 176.094 -0.022 0.000 1.045 393 V CA -0.814 61.478 62.300 -0.014 0.000 0.905 393 V CB 2.155 33.968 31.823 -0.017 0.000 0.997 393 V HN 0.466 nan 8.190 nan 0.000 0.436 394 E N 1.365 121.550 120.200 -0.025 0.000 2.221 394 E HA 0.484 4.835 4.350 0.003 0.000 0.268 394 E C -0.712 175.858 176.600 -0.050 0.000 0.933 394 E CA -0.834 55.546 56.400 -0.033 0.000 0.809 394 E CB 2.327 32.011 29.700 -0.026 0.000 1.190 394 E HN 0.410 nan 8.360 nan 0.000 0.406 395 V N 1.826 121.707 119.914 -0.055 0.000 2.681 395 V HA 0.110 4.232 4.120 0.003 0.000 0.306 395 V C 1.568 177.606 176.094 -0.093 0.000 1.077 395 V CA 2.035 64.292 62.300 -0.073 0.000 1.224 395 V CB 0.023 31.808 31.823 -0.064 0.000 0.879 395 V HN 1.025 nan 8.190 nan 0.000 0.494 396 G N 3.159 111.877 108.800 -0.137 0.000 2.217 396 G HA2 -0.211 3.750 3.960 0.003 0.000 0.246 396 G HA3 -0.211 3.750 3.960 0.003 0.000 0.246 396 G C 0.119 174.869 174.900 -0.250 0.000 0.990 396 G CA 0.188 45.171 45.100 -0.194 0.000 0.627 396 G HN 0.684 nan 8.290 nan 0.000 0.522 397 E N -0.368 119.738 120.200 -0.157 0.000 2.398 397 E HA 0.284 4.636 4.350 0.003 0.000 0.263 397 E C -0.058 176.457 176.600 -0.141 0.000 1.046 397 E CA -0.487 55.855 56.400 -0.096 0.000 0.908 397 E CB 0.425 30.112 29.700 -0.021 0.000 0.963 397 E HN 0.392 nan 8.360 nan 0.000 0.431 398 W N 1.824 123.111 121.300 -0.022 0.000 2.218 398 W HA 0.309 4.971 4.660 0.003 0.000 0.326 398 W C -0.187 176.316 176.519 -0.027 0.000 1.276 398 W CA -0.102 57.229 57.345 -0.023 0.000 1.210 398 W CB 0.709 30.157 29.460 -0.020 0.000 1.143 398 W HN 0.138 nan 8.180 nan 0.000 0.563 399 V N 2.698 122.768 119.914 0.260 0.000 3.120 399 V HA 0.231 4.353 4.120 0.003 0.000 0.303 399 V C -0.655 175.508 176.094 0.116 0.000 1.238 399 V CA -1.201 61.171 62.300 0.120 0.000 1.008 399 V CB 2.336 34.183 31.823 0.040 0.000 1.064 399 V HN 0.313 nan 8.190 nan 0.000 0.434 400 E N 1.918 122.152 120.200 0.057 0.000 2.197 400 E HA 0.622 4.973 4.350 0.003 0.000 0.281 400 E C -1.293 175.330 176.600 0.039 0.000 0.995 400 E CA -0.229 56.198 56.400 0.045 0.000 0.808 400 E CB 2.110 31.815 29.700 0.008 0.000 1.093 400 E HN 0.370 nan 8.360 nan 0.000 0.394 401 V N 2.545 122.494 119.914 0.059 0.000 2.638 401 V HA 0.241 4.363 4.120 0.003 0.000 0.306 401 V C -0.245 175.910 176.094 0.102 0.000 1.052 401 V CA -0.740 61.598 62.300 0.063 0.000 0.885 401 V CB 2.096 33.935 31.823 0.027 0.000 0.999 401 V HN 0.586 nan 8.190 nan 0.000 0.424 402 E N 5.730 126.031 120.200 0.169 0.000 2.149 402 E HA 0.418 4.770 4.350 0.003 0.000 0.255 402 E C -2.681 174.054 176.600 0.225 0.000 0.888 402 E CA -2.111 54.443 56.400 0.257 0.000 0.742 402 E CB 1.931 31.885 29.700 0.422 0.000 1.164 402 E HN 0.416 nan 8.360 nan 0.000 0.422 403 P HA -0.060 nan 4.420 nan 0.000 0.265 403 P C -0.603 176.854 177.300 0.262 0.000 1.187 403 P CA 0.112 63.255 63.100 0.071 0.000 0.766 403 P CB 0.219 31.970 31.700 0.085 0.000 0.820 404 F N 2.179 122.168 119.950 0.064 0.000 2.563 404 F HA 0.048 4.576 4.527 0.003 0.000 0.363 404 F C 1.609 177.561 175.800 0.253 0.000 1.123 404 F CA -0.424 57.670 58.000 0.157 0.000 1.307 404 F CB -0.613 38.440 39.000 0.088 0.000 1.115 404 F HN 0.365 nan 8.300 nan 0.000 0.592 405 N N 1.593 120.637 118.700 0.575 0.000 2.374 405 N HA 0.277 5.018 4.740 0.003 0.000 0.284 405 N C 0.794 176.474 175.510 0.282 0.000 1.280 405 N CA 0.075 53.340 53.050 0.359 0.000 0.963 405 N CB -0.226 38.430 38.487 0.282 0.000 1.141 405 N HN 0.477 nan 8.380 nan 0.000 0.565 406 A N -0.683 122.235 122.820 0.164 0.000 2.131 406 A HA -0.040 4.282 4.320 0.003 0.000 0.220 406 A C 2.144 179.743 177.584 0.025 0.000 1.158 406 A CA 0.885 52.981 52.037 0.097 0.000 0.665 406 A CB -1.075 17.966 19.000 0.069 0.000 0.795 406 A HN 0.620 nan 8.150 nan 0.000 0.460 407 L N -2.439 118.760 121.223 -0.040 0.000 2.275 407 L HA -0.073 4.268 4.340 0.003 0.000 0.215 407 L C 1.006 177.518 176.870 -0.597 0.000 1.119 407 L CA 0.919 55.570 54.840 -0.315 0.000 0.790 407 L CB -0.273 41.535 42.059 -0.418 0.000 0.919 407 L HN 0.462 nan 8.230 nan 0.000 0.443 408 F N -0.383 119.570 119.950 0.006 0.000 2.791 408 F HA 0.431 4.960 4.527 0.003 0.000 0.308 408 F C 1.278 177.128 175.800 0.084 0.000 1.138 408 F CA -0.141 57.833 58.000 -0.043 0.000 1.294 408 F CB 0.265 39.088 39.000 -0.295 0.000 0.975 408 F HN 0.053 nan 8.300 nan 0.000 0.512 409 G N 0.000 108.904 108.800 0.174 0.000 5.446 409 G HA2 0.000 3.962 3.960 0.003 0.000 0.244 409 G HA3 0.000 3.962 3.960 0.003 0.000 0.244 409 G CA 0.000 45.195 45.100 0.159 0.000 0.502 409 G HN 0.000 nan 8.290 nan 0.000 0.925