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 1i1q_1_A DATA FIRST_RESID 5 DATA SEQUENCE KPTLELLTCD AAYRENPTAL FHQVCGDRPA TLLLESADID SKDDLKSLLL DATA SEQUENCE VDSALRITAL GDTVTIQALS DNGASLLPLL DTALPAGVEN DVLPAGRVLR DATA SEQUENCE FPPVSPLLDE NARLCSLSVF DAFRLLQGVV NIPTQEREAM FFGGLFAYDL DATA SEQUENCE VAGFEALPHL EAGNNCPDYC FYLAETLMVI DHQKKSTRIQ ASLFTASDRE DATA SEQUENCE KQRLNARLAY LSQQLTQPAP PLPVTPVPDM RCECNQSDDA FGAVVRQLQK DATA SEQUENCE AIRAGEIFQV VPSRRFSLPC PSPLAAYYVL KKSNPSPYMF FMQDNDFTLF DATA SEQUENCE GASPESSLKY DAASRQIEIY PIAGTRPRGR RADGTLDRDL DSRIELDMRT DATA SEQUENCE DHKELSEHLM LVDLARNDLA RICTPGSRYV ADLTKVDRYS YVMHLVSRVV DATA SEQUENCE GELRHDLDAL HAYRACMNMG TLSGAPKVRA MQLIADAEGQ RRGSYGGAVG DATA SEQUENCE YFTAHGDLDT CIVIRSALVE NGIATVQAGA GIVLDSVPQS EADETRNKAR DATA SEQUENCE AVLRAIATAH HA 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 5 K HA 0.000 nan 4.320 nan 0.000 0.191 5 K C 0.000 176.636 176.600 0.059 0.000 0.988 5 K CA 0.000 56.320 56.287 0.055 0.000 0.838 5 K CB 0.000 32.528 32.500 0.047 0.000 1.064 6 P HA 0.123 nan 4.420 nan 0.000 0.269 6 P C -1.251 176.097 177.300 0.080 0.000 1.215 6 P CA 0.330 63.473 63.100 0.072 0.000 0.780 6 P CB 1.091 32.843 31.700 0.086 0.000 0.898 7 T N 2.415 117.011 114.554 0.070 0.000 2.786 7 T HA 0.333 4.683 4.350 -0.000 0.000 0.283 7 T C -0.067 174.669 174.700 0.061 0.000 0.992 7 T CA -0.587 61.553 62.100 0.067 0.000 0.954 7 T CB 0.374 69.270 68.868 0.048 0.000 0.934 7 T HN 0.287 nan 8.240 nan 0.000 0.440 8 L N 3.460 124.727 121.223 0.074 0.000 2.490 8 L HA 0.303 4.643 4.340 -0.000 0.000 0.274 8 L C 0.373 177.233 176.870 -0.017 0.000 1.201 8 L CA 0.063 54.923 54.840 0.033 0.000 0.869 8 L CB 0.434 42.531 42.059 0.065 0.000 1.123 8 L HN 0.663 nan 8.230 nan 0.000 0.484 9 E N 5.358 125.516 120.200 -0.071 0.000 2.199 9 E HA 0.342 4.692 4.350 -0.000 0.000 0.265 9 E C -1.494 175.043 176.600 -0.106 0.000 0.882 9 E CA -0.742 55.619 56.400 -0.066 0.000 0.759 9 E CB 1.595 31.265 29.700 -0.050 0.000 1.148 9 E HN 0.638 nan 8.360 nan 0.000 0.412 10 L N 6.101 127.276 121.223 -0.080 0.000 2.275 10 L HA 0.400 4.740 4.340 -0.000 0.000 0.288 10 L C -0.716 176.109 176.870 -0.075 0.000 1.046 10 L CA -0.714 54.072 54.840 -0.091 0.000 0.805 10 L CB 0.796 42.814 42.059 -0.068 0.000 1.193 10 L HN 0.550 nan 8.230 nan 0.000 0.426 11 L N 4.142 125.314 121.223 -0.085 0.000 2.282 11 L HA 0.563 4.903 4.340 -0.000 0.000 0.288 11 L C 0.216 177.047 176.870 -0.065 0.000 1.033 11 L CA -0.353 54.447 54.840 -0.067 0.000 0.807 11 L CB 1.693 43.712 42.059 -0.067 0.000 1.209 11 L HN 0.611 nan 8.230 nan 0.000 0.423 12 T N -0.857 113.666 114.554 -0.053 0.000 2.838 12 T HA 0.789 5.139 4.350 -0.000 0.000 0.292 12 T C -0.612 174.061 174.700 -0.045 0.000 1.113 12 T CA -0.867 61.201 62.100 -0.053 0.000 1.008 12 T CB 2.142 70.980 68.868 -0.050 0.000 1.259 12 T HN 0.905 nan 8.240 nan 0.000 0.520 13 C N -0.161 119.112 119.300 -0.045 0.000 3.274 13 C HA 0.593 5.053 4.460 -0.000 0.000 0.415 13 C C -1.630 173.335 174.990 -0.041 0.000 1.009 13 C CA -1.094 57.900 59.018 -0.040 0.000 1.163 13 C CB -0.242 27.475 27.740 -0.039 0.000 1.549 13 C HN 0.983 nan 8.230 nan 0.000 0.599 14 D N 2.120 122.499 120.400 -0.035 0.000 2.308 14 D HA 0.655 5.295 4.640 -0.000 0.000 0.251 14 D C 0.428 176.709 176.300 -0.032 0.000 1.127 14 D CA 0.764 54.746 54.000 -0.031 0.000 0.876 14 D CB 1.659 42.444 40.800 -0.025 0.000 1.176 14 D HN 1.079 nan 8.370 nan 0.000 0.446 15 A N 1.344 124.145 122.820 -0.032 0.000 2.389 15 A HA 0.846 5.166 4.320 -0.000 0.000 0.293 15 A C -0.421 177.154 177.584 -0.016 0.000 1.186 15 A CA -0.757 51.259 52.037 -0.035 0.000 0.828 15 A CB 0.896 19.863 19.000 -0.055 0.000 1.369 15 A HN 0.598 nan 8.150 nan 0.000 0.446 16 A N -0.640 122.169 122.820 -0.019 0.000 2.425 16 A HA 0.460 4.780 4.320 -0.000 0.000 0.242 16 A C -0.217 177.387 177.584 0.034 0.000 1.077 16 A CA -0.008 52.036 52.037 0.011 0.000 0.781 16 A CB -0.277 18.718 19.000 -0.008 0.000 1.020 16 A HN 1.242 nan 8.150 nan 0.000 0.494 17 Y N 1.666 121.932 120.300 -0.057 0.000 2.397 17 Y HA 0.432 4.982 4.550 0.000 0.000 0.335 17 Y C 0.309 176.175 175.900 -0.055 0.000 1.213 17 Y CA 0.091 58.151 58.100 -0.066 0.000 1.391 17 Y CB 0.615 39.041 38.460 -0.057 0.000 1.293 17 Y HN 0.543 nan 8.280 nan 0.000 0.557 18 R N 4.990 124.979 120.500 -0.851 0.000 2.468 18 R HA 0.085 4.425 4.340 -0.000 0.000 0.302 18 R C 0.394 176.204 176.300 -0.817 0.000 1.041 18 R CA -0.618 55.114 56.100 -0.613 0.000 0.899 18 R CB 1.278 31.384 30.300 -0.323 0.000 1.167 18 R HN 0.862 nan 8.270 nan 0.000 0.483 19 E N 1.574 121.433 120.200 -0.568 0.000 2.267 19 E HA -0.177 4.173 4.350 -0.000 0.000 0.197 19 E C 0.072 176.638 176.600 -0.057 0.000 0.998 19 E CA 1.298 57.567 56.400 -0.217 0.000 0.830 19 E CB 0.147 29.866 29.700 0.033 0.000 0.751 19 E HN 0.298 nan 8.360 nan 0.000 0.491 20 N N -0.521 118.128 118.700 -0.085 0.000 2.776 20 N HA 0.209 4.949 4.740 -0.000 0.000 0.245 20 N C -2.391 173.097 175.510 -0.037 0.000 1.121 20 N CA -2.265 50.776 53.050 -0.015 0.000 0.852 20 N CB 1.259 39.747 38.487 0.002 0.000 1.142 20 N HN -0.150 nan 8.380 nan 0.000 0.514 21 P HA -0.080 nan 4.420 nan 0.000 0.218 21 P C 0.908 178.224 177.300 0.025 0.000 1.148 21 P CA 1.313 64.426 63.100 0.021 0.000 0.822 21 P CB 0.381 32.133 31.700 0.088 0.000 0.784 22 T N -0.694 113.856 114.554 -0.007 0.000 2.708 22 T HA -0.156 4.194 4.350 -0.000 0.000 0.266 22 T C 1.910 176.529 174.700 -0.136 0.000 1.037 22 T CA 1.659 63.709 62.100 -0.083 0.000 1.146 22 T CB -0.947 67.793 68.868 -0.214 0.000 0.865 22 T HN 0.063 nan 8.240 nan 0.000 0.435 23 A N 1.202 123.915 122.820 -0.179 0.000 1.898 23 A HA 0.039 4.359 4.320 -0.000 0.000 0.216 23 A C 2.250 179.811 177.584 -0.039 0.000 1.181 23 A CA 1.143 53.101 52.037 -0.133 0.000 0.620 23 A CB -0.793 18.133 19.000 -0.124 0.000 0.819 23 A HN 0.393 nan 8.150 nan 0.000 0.442 24 L N -1.497 119.703 121.223 -0.039 0.000 2.046 24 L HA -0.095 4.245 4.340 -0.000 0.000 0.208 24 L C 2.165 179.019 176.870 -0.027 0.000 1.077 24 L CA 2.120 56.931 54.840 -0.048 0.000 0.747 24 L CB -0.744 41.279 42.059 -0.060 0.000 0.896 24 L HN 0.431 nan 8.230 nan 0.000 0.432 25 F N -0.248 119.638 119.950 -0.108 0.000 2.069 25 F HA -0.302 4.225 4.527 -0.000 0.000 0.298 25 F C 2.673 178.416 175.800 -0.095 0.000 1.113 25 F CA 2.215 60.152 58.000 -0.106 0.000 1.214 25 F CB -0.536 38.377 39.000 -0.145 0.000 0.978 25 F HN 0.397 nan 8.300 nan 0.000 0.474 26 H N 0.000 119.041 119.070 -0.049 0.000 2.387 26 H HA -0.184 4.372 4.556 -0.000 0.000 0.299 26 H C 2.302 177.527 175.328 -0.171 0.000 1.099 26 H CA 2.292 58.265 56.048 -0.126 0.000 1.315 26 H CB -0.436 29.263 29.762 -0.106 0.000 1.380 26 H HN 0.535 nan 8.280 nan 0.000 0.513 27 Q N 0.007 119.664 119.800 -0.238 0.000 2.046 27 Q HA -0.089 4.251 4.340 -0.000 0.000 0.200 27 Q C 2.098 177.945 176.000 -0.255 0.000 0.975 27 Q CA 2.141 57.788 55.803 -0.260 0.000 0.836 27 Q CB 0.145 28.792 28.738 -0.151 0.000 0.896 27 Q HN 0.508 nan 8.270 nan 0.000 0.428 28 V N -3.562 116.200 119.914 -0.254 0.000 3.471 28 V HA 0.085 4.205 4.120 -0.000 0.000 0.258 28 V C 1.545 177.465 176.094 -0.290 0.000 1.192 28 V CA 0.396 62.568 62.300 -0.214 0.000 1.116 28 V CB 0.263 31.984 31.823 -0.170 0.000 0.792 28 V HN 0.403 nan 8.190 nan 0.000 0.459 29 C N 0.278 119.284 119.300 -0.491 0.000 2.964 29 C HA 0.643 5.103 4.460 -0.000 0.000 0.358 29 C C 2.166 176.905 174.990 -0.418 0.000 1.289 29 C CA 0.332 59.005 59.018 -0.575 0.000 1.856 29 C CB -0.325 26.696 27.740 -1.200 0.000 2.488 29 C HN 0.895 nan 8.230 nan 0.000 0.604 30 G N 2.683 111.241 108.800 -0.403 0.000 2.672 30 G HA2 -0.364 3.596 3.960 -0.000 0.000 0.324 30 G HA3 -0.364 3.596 3.960 -0.000 0.000 0.324 30 G C 0.220 175.077 174.900 -0.072 0.000 1.286 30 G CA 1.294 46.243 45.100 -0.251 0.000 1.004 30 G HN 0.603 nan 8.290 nan 0.000 0.548 31 D N 0.553 120.935 120.400 -0.030 0.000 2.463 31 D HA 0.224 4.864 4.640 -0.000 0.000 0.224 31 D C 0.946 177.251 176.300 0.007 0.000 1.174 31 D CA -0.223 53.801 54.000 0.040 0.000 0.829 31 D CB -0.129 40.703 40.800 0.054 0.000 0.993 31 D HN 0.588 nan 8.370 nan 0.000 0.497 32 R N 1.729 122.200 120.500 -0.047 0.000 2.491 32 R HA 0.272 4.612 4.340 -0.000 0.000 0.283 32 R C -2.169 174.101 176.300 -0.051 0.000 1.072 32 R CA -1.185 54.876 56.100 -0.065 0.000 1.048 32 R CB 0.601 30.835 30.300 -0.110 0.000 0.983 32 R HN 0.209 nan 8.270 nan 0.000 0.450 33 P HA 0.062 nan 4.420 nan 0.000 0.276 33 P C -0.629 176.552 177.300 -0.198 0.000 1.261 33 P CA -0.083 62.962 63.100 -0.091 0.000 0.800 33 P CB 0.939 32.595 31.700 -0.073 0.000 1.066 34 A N -0.636 121.978 122.820 -0.343 0.000 2.914 34 A HA -0.082 4.238 4.320 -0.000 0.000 0.280 34 A C 0.421 177.579 177.584 -0.711 0.000 1.447 34 A CA 1.135 52.629 52.037 -0.905 0.000 0.759 34 A CB -2.883 15.727 19.000 -0.649 0.000 1.034 34 A HN 0.818 nan 8.150 nan 0.000 0.529 35 T N -2.370 112.015 114.554 -0.283 0.000 2.893 35 T HA 0.792 5.142 4.350 -0.000 0.000 0.291 35 T C -0.719 174.165 174.700 0.307 0.000 1.028 35 T CA -0.373 61.746 62.100 0.031 0.000 0.995 35 T CB 2.087 71.001 68.868 0.077 0.000 1.051 35 T HN 1.718 nan 8.240 nan 0.000 0.470 36 L N 2.207 123.669 121.223 0.398 0.000 2.455 36 L HA 0.816 5.156 4.340 -0.000 0.000 0.264 36 L C -2.050 174.995 176.870 0.292 0.000 0.968 36 L CA -1.020 54.031 54.840 0.351 0.000 0.827 36 L CB 2.096 44.363 42.059 0.347 0.000 1.317 36 L HN 0.850 nan 8.230 nan 0.000 0.407 37 L N 5.694 126.959 121.223 0.070 0.000 2.343 37 L HA 0.624 4.964 4.340 -0.000 0.000 0.278 37 L C -1.704 175.215 176.870 0.081 0.000 0.996 37 L CA -0.189 54.641 54.840 -0.017 0.000 0.831 37 L CB 1.425 43.213 42.059 -0.451 0.000 1.232 37 L HN 0.594 nan 8.230 nan 0.000 0.413 38 L N 5.315 126.625 121.223 0.145 0.000 2.313 38 L HA 0.510 4.850 4.340 -0.000 0.000 0.273 38 L C -0.163 176.803 176.870 0.160 0.000 1.028 38 L CA -0.284 54.679 54.840 0.206 0.000 0.871 38 L CB 1.202 43.409 42.059 0.246 0.000 1.242 38 L HN 0.655 nan 8.230 nan 0.000 0.434 39 E N 1.939 122.244 120.200 0.175 0.000 2.191 39 E HA 0.376 4.726 4.350 -0.000 0.000 0.278 39 E C -0.882 175.772 176.600 0.091 0.000 0.972 39 E CA -0.495 55.997 56.400 0.152 0.000 0.804 39 E CB 1.533 31.352 29.700 0.197 0.000 1.110 39 E HN 0.379 nan 8.360 nan 0.000 0.394 40 S N 2.228 117.948 115.700 0.032 0.000 2.422 40 S HA 0.598 5.068 4.470 -0.000 0.000 0.298 40 S C -0.582 173.944 174.600 -0.124 0.000 1.118 40 S CA -0.564 57.591 58.200 -0.075 0.000 1.083 40 S CB 1.279 64.415 63.200 -0.105 0.000 0.971 40 S HN 0.604 nan 8.310 nan 0.000 0.478 41 A N 2.150 124.933 122.820 -0.062 0.000 2.347 41 A HA 0.782 5.102 4.320 -0.000 0.000 0.301 41 A C 0.106 177.682 177.584 -0.014 0.000 1.163 41 A CA -0.571 51.436 52.037 -0.051 0.000 0.860 41 A CB 0.259 19.249 19.000 -0.017 0.000 1.367 41 A HN 0.682 nan 8.150 nan 0.000 0.461 42 D N -0.830 119.580 120.400 0.016 0.000 2.705 42 D HA -0.158 4.482 4.640 -0.000 0.000 0.240 42 D C 0.838 177.165 176.300 0.045 0.000 1.137 42 D CA 1.015 55.051 54.000 0.061 0.000 0.677 42 D CB -1.299 39.582 40.800 0.135 0.000 1.049 42 D HN 0.752 nan 8.370 nan 0.000 0.427 43 I N -3.252 117.308 120.570 -0.017 0.000 2.700 43 I HA -0.155 4.015 4.170 -0.000 0.000 0.261 43 I C 1.207 177.331 176.117 0.012 0.000 1.219 43 I CA 1.020 62.300 61.300 -0.035 0.000 1.463 43 I CB -0.144 37.801 38.000 -0.091 0.000 1.092 43 I HN -0.123 nan 8.210 nan 0.000 0.452 44 D N 1.090 121.499 120.400 0.015 0.000 2.349 44 D HA 0.012 4.652 4.640 -0.000 0.000 0.224 44 D C 1.945 178.242 176.300 -0.006 0.000 1.029 44 D CA 0.546 54.549 54.000 0.004 0.000 0.879 44 D CB 0.379 41.173 40.800 -0.009 0.000 0.906 44 D HN 0.359 nan 8.370 nan 0.000 0.528 45 S N -0.441 115.269 115.700 0.017 0.000 2.517 45 S HA 0.139 4.609 4.470 -0.000 0.000 0.214 45 S C 0.723 175.302 174.600 -0.036 0.000 0.991 45 S CA 0.130 58.312 58.200 -0.030 0.000 0.906 45 S CB 1.152 64.374 63.200 0.037 0.000 0.789 45 S HN 0.092 nan 8.310 nan 0.000 0.513 46 K N 1.025 121.444 120.400 0.032 0.000 2.532 46 K HA 0.373 4.693 4.320 -0.000 0.000 0.265 46 K C -1.934 174.694 176.600 0.047 0.000 0.948 46 K CA -0.775 55.540 56.287 0.047 0.000 0.842 46 K CB 1.584 34.151 32.500 0.112 0.000 1.392 46 K HN -0.048 nan 8.250 nan 0.000 0.436 47 D N 0.984 121.413 120.400 0.049 0.000 2.332 47 D HA 0.161 4.801 4.640 -0.000 0.000 0.252 47 D C -0.465 175.876 176.300 0.069 0.000 1.050 47 D CA 0.050 54.080 54.000 0.050 0.000 0.970 47 D CB 0.756 41.580 40.800 0.041 0.000 1.141 47 D HN 0.501 nan 8.370 nan 0.000 0.485 48 D N -0.385 120.057 120.400 0.069 0.000 2.837 48 D HA -0.168 4.472 4.640 -0.000 0.000 0.230 48 D C -0.455 175.906 176.300 0.101 0.000 1.152 48 D CA 0.398 54.447 54.000 0.082 0.000 0.736 48 D CB -1.177 39.672 40.800 0.081 0.000 1.084 48 D HN 0.100 nan 8.370 nan 0.000 0.429 49 L N 0.291 121.579 121.223 0.109 0.000 2.375 49 L HA 0.444 4.784 4.340 -0.000 0.000 0.271 49 L C 0.940 177.943 176.870 0.221 0.000 1.107 49 L CA 0.200 55.110 54.840 0.116 0.000 0.806 49 L CB 0.931 43.022 42.059 0.053 0.000 1.146 49 L HN 0.112 nan 8.230 nan 0.000 0.447 50 K N 0.337 120.866 120.400 0.215 0.000 2.536 50 K HA 0.734 5.054 4.320 -0.000 0.000 0.269 50 K C -1.327 175.413 176.600 0.233 0.000 0.965 50 K CA -0.737 55.710 56.287 0.267 0.000 0.860 50 K CB 1.683 34.256 32.500 0.122 0.000 1.423 50 K HN 0.321 nan 8.250 nan 0.000 0.438 51 S N 1.469 117.300 115.700 0.218 0.000 2.482 51 S HA 0.529 4.999 4.470 -0.000 0.000 0.303 51 S C -0.756 173.871 174.600 0.045 0.000 1.091 51 S CA -0.872 57.429 58.200 0.168 0.000 1.057 51 S CB 0.672 64.034 63.200 0.270 0.000 1.031 51 S HN 0.434 nan 8.310 nan 0.000 0.485 52 L N 3.210 124.451 121.223 0.031 0.000 2.341 52 L HA 0.601 4.941 4.340 -0.000 0.000 0.278 52 L C -1.404 175.462 176.870 -0.007 0.000 1.005 52 L CA -0.819 53.987 54.840 -0.056 0.000 0.818 52 L CB 1.170 43.160 42.059 -0.114 0.000 1.259 52 L HN 0.370 nan 8.230 nan 0.000 0.418 53 L N 4.464 125.660 121.223 -0.044 0.000 2.343 53 L HA 0.436 4.776 4.340 -0.000 0.000 0.278 53 L C -0.406 176.452 176.870 -0.020 0.000 0.996 53 L CA -0.019 54.848 54.840 0.046 0.000 0.831 53 L CB 1.750 43.852 42.059 0.071 0.000 1.232 53 L HN 0.481 nan 8.230 nan 0.000 0.413 54 L N 4.457 125.714 121.223 0.057 0.000 2.302 54 L HA 0.256 4.596 4.340 -0.000 0.000 0.285 54 L C 0.691 177.580 176.870 0.032 0.000 1.090 54 L CA -0.152 54.704 54.840 0.027 0.000 0.866 54 L CB 0.785 42.939 42.059 0.159 0.000 1.244 54 L HN 0.546 nan 8.230 nan 0.000 0.435 55 V N 2.454 122.346 119.914 -0.038 0.000 2.407 55 V HA 0.024 4.144 4.120 -0.000 0.000 0.245 55 V C 0.211 176.253 176.094 -0.086 0.000 1.041 55 V CA 1.113 63.366 62.300 -0.078 0.000 1.040 55 V CB -0.269 31.500 31.823 -0.089 0.000 0.671 55 V HN 0.676 nan 8.190 nan 0.000 0.455 56 D N -0.396 119.965 120.400 -0.065 0.000 2.629 56 D HA 0.457 5.097 4.640 -0.000 0.000 0.250 56 D C -0.786 175.493 176.300 -0.034 0.000 1.126 56 D CA 0.027 53.990 54.000 -0.061 0.000 0.852 56 D CB 2.009 42.780 40.800 -0.048 0.000 1.335 56 D HN 0.077 nan 8.370 nan 0.000 0.518 57 S N 0.520 116.188 115.700 -0.054 0.000 2.508 57 S HA 0.516 4.986 4.470 -0.000 0.000 0.284 57 S C 0.952 175.573 174.600 0.035 0.000 1.192 57 S CA -0.579 57.617 58.200 -0.007 0.000 1.070 57 S CB 1.919 65.059 63.200 -0.100 0.000 1.004 57 S HN 0.546 nan 8.310 nan 0.000 0.493 58 A N 2.423 125.301 122.820 0.097 0.000 1.984 58 A HA 0.427 4.747 4.320 -0.000 0.000 0.214 58 A C 0.165 177.793 177.584 0.074 0.000 1.173 58 A CA 0.845 52.952 52.037 0.116 0.000 0.673 58 A CB -0.017 19.130 19.000 0.245 0.000 0.830 58 A HN 0.528 nan 8.150 nan 0.000 0.453 59 L N -1.563 119.717 121.223 0.094 0.000 2.466 59 L HA 0.491 4.831 4.340 -0.000 0.000 0.258 59 L C -0.372 176.631 176.870 0.220 0.000 0.973 59 L CA -0.408 54.504 54.840 0.120 0.000 0.826 59 L CB 2.160 44.278 42.059 0.099 0.000 1.372 59 L HN 0.330 nan 8.230 nan 0.000 0.409 60 R N 3.138 123.774 120.500 0.227 0.000 2.393 60 R HA 0.792 5.132 4.340 -0.000 0.000 0.315 60 R C -1.529 174.945 176.300 0.289 0.000 0.952 60 R CA -0.396 55.908 56.100 0.339 0.000 0.842 60 R CB 0.884 31.348 30.300 0.274 0.000 1.163 60 R HN 0.636 nan 8.270 nan 0.000 0.450 61 I N 4.540 125.321 120.570 0.352 0.000 2.410 61 I HA 0.299 4.469 4.170 -0.000 0.000 0.286 61 I C -0.251 176.107 176.117 0.403 0.000 1.009 61 I CA -0.681 60.823 61.300 0.340 0.000 1.111 61 I CB 2.074 40.313 38.000 0.398 0.000 1.262 61 I HN 0.683 nan 8.210 nan 0.000 0.443 62 T N 2.504 117.212 114.554 0.256 0.000 2.907 62 T HA 0.908 5.258 4.350 -0.000 0.000 0.292 62 T C -0.600 174.020 174.700 -0.133 0.000 1.043 62 T CA -0.867 61.329 62.100 0.160 0.000 1.003 62 T CB 2.337 71.282 68.868 0.129 0.000 1.084 62 T HN 0.636 nan 8.240 nan 0.000 0.483 63 A N 1.697 124.249 122.820 -0.446 0.000 2.414 63 A HA 0.855 5.175 4.320 -0.000 0.000 0.306 63 A C -1.496 175.898 177.584 -0.317 0.000 1.054 63 A CA -0.877 50.793 52.037 -0.610 0.000 0.724 63 A CB 1.674 19.810 19.000 -1.440 0.000 1.267 63 A HN 1.049 nan 8.150 nan 0.000 0.418 64 L N 1.946 123.047 121.223 -0.204 0.000 2.528 64 L HA 0.651 4.991 4.340 -0.000 0.000 0.267 64 L C 0.628 177.433 176.870 -0.108 0.000 0.961 64 L CA 1.431 56.203 54.840 -0.114 0.000 0.866 64 L CB 1.100 43.120 42.059 -0.065 0.000 1.248 64 L HN 2.218 nan 8.230 nan 0.000 0.404 65 G N 4.430 113.170 108.800 -0.100 0.000 2.561 65 G HA2 -0.360 3.600 3.960 -0.000 0.000 0.289 65 G HA3 -0.360 3.600 3.960 -0.000 0.000 0.289 65 G C 0.272 175.101 174.900 -0.118 0.000 1.169 65 G CA 0.642 45.672 45.100 -0.116 0.000 0.980 65 G HN 1.068 nan 8.290 nan 0.000 0.550 66 D N 0.356 120.703 120.400 -0.088 0.000 2.328 66 D HA 0.279 4.919 4.640 -0.000 0.000 0.221 66 D C 0.903 177.235 176.300 0.053 0.000 1.072 66 D CA 1.063 55.046 54.000 -0.029 0.000 0.850 66 D CB -0.093 40.700 40.800 -0.011 0.000 0.922 66 D HN 0.474 nan 8.370 nan 0.000 0.516 67 T N 0.277 114.825 114.554 -0.010 0.000 2.794 67 T HA 0.505 4.855 4.350 -0.000 0.000 0.280 67 T C -0.401 174.283 174.700 -0.027 0.000 0.987 67 T CA -0.602 61.505 62.100 0.012 0.000 0.993 67 T CB 2.334 71.190 68.868 -0.021 0.000 0.939 67 T HN -0.161 nan 8.240 nan 0.000 0.449 68 V N 3.539 123.476 119.914 0.037 0.000 2.448 68 V HA 0.472 4.592 4.120 -0.000 0.000 0.295 68 V C 0.144 176.251 176.094 0.021 0.000 1.025 68 V CA -0.725 61.570 62.300 -0.010 0.000 0.859 68 V CB 1.995 33.859 31.823 0.069 0.000 0.988 68 V HN 0.966 nan 8.190 nan 0.000 0.431 69 T N 6.434 120.996 114.554 0.014 0.000 2.771 69 T HA 0.655 5.005 4.350 -0.000 0.000 0.281 69 T C -0.289 174.454 174.700 0.072 0.000 0.982 69 T CA -0.110 62.013 62.100 0.038 0.000 0.978 69 T CB 0.822 69.712 68.868 0.037 0.000 0.930 69 T HN 0.396 nan 8.240 nan 0.000 0.447 70 I N 3.436 124.046 120.570 0.067 0.000 2.382 70 I HA 0.367 4.537 4.170 -0.000 0.000 0.286 70 I C -0.327 175.834 176.117 0.073 0.000 1.002 70 I CA -0.833 60.518 61.300 0.085 0.000 1.135 70 I CB 1.715 39.758 38.000 0.072 0.000 1.288 70 I HN 0.377 nan 8.210 nan 0.000 0.448 71 Q N 5.548 125.402 119.800 0.090 0.000 2.333 71 Q HA 0.669 5.009 4.340 -0.000 0.000 0.268 71 Q C -0.885 175.155 176.000 0.068 0.000 1.007 71 Q CA -0.487 55.358 55.803 0.070 0.000 0.810 71 Q CB 1.960 30.742 28.738 0.073 0.000 1.264 71 Q HN 0.741 nan 8.270 nan 0.000 0.452 72 A N 4.354 127.202 122.820 0.047 0.000 2.354 72 A HA 0.440 4.760 4.320 -0.000 0.000 0.269 72 A C -0.193 177.412 177.584 0.034 0.000 1.109 72 A CA -0.343 51.718 52.037 0.040 0.000 0.800 72 A CB 0.356 19.374 19.000 0.029 0.000 1.045 72 A HN 0.820 nan 8.150 nan 0.000 0.489 73 L N 1.371 122.613 121.223 0.033 0.000 2.664 73 L HA 0.200 4.540 4.340 -0.000 0.000 0.233 73 L C 0.922 177.800 176.870 0.014 0.000 1.113 73 L CA 1.035 55.885 54.840 0.016 0.000 0.896 73 L CB -1.448 40.612 42.059 0.002 0.000 1.163 73 L HN 0.902 nan 8.230 nan 0.000 0.497 74 S N -3.186 112.531 115.700 0.028 0.000 2.625 74 S HA 0.396 4.866 4.470 -0.000 0.000 0.271 74 S C 0.222 174.845 174.600 0.040 0.000 1.161 74 S CA -0.668 57.549 58.200 0.029 0.000 0.820 74 S CB 1.948 65.169 63.200 0.036 0.000 1.137 74 S HN -0.055 nan 8.310 nan 0.000 0.470 75 D N 0.821 121.242 120.400 0.035 0.000 2.219 75 D HA -0.085 4.555 4.640 -0.000 0.000 0.205 75 D C 1.536 177.876 176.300 0.066 0.000 0.970 75 D CA 1.213 55.237 54.000 0.040 0.000 0.851 75 D CB -0.345 40.472 40.800 0.028 0.000 0.943 75 D HN 0.593 nan 8.370 nan 0.000 0.488 76 N N 0.839 119.593 118.700 0.089 0.000 2.084 76 N HA -0.122 4.618 4.740 -0.000 0.000 0.190 76 N C 1.933 177.571 175.510 0.215 0.000 1.030 76 N CA 2.032 55.177 53.050 0.158 0.000 0.849 76 N CB -0.533 38.048 38.487 0.157 0.000 1.012 76 N HN 0.116 nan 8.380 nan 0.000 0.423 77 G N -0.321 108.574 108.800 0.158 0.000 2.418 77 G HA2 -0.143 3.817 3.960 -0.000 0.000 0.217 77 G HA3 -0.143 3.817 3.960 -0.000 0.000 0.217 77 G C 1.572 176.480 174.900 0.012 0.000 1.158 77 G CA 0.981 46.118 45.100 0.061 0.000 0.771 77 G HN 0.515 nan 8.290 nan 0.000 0.545 78 A N 1.323 124.165 122.820 0.036 0.000 2.024 78 A HA -0.025 4.295 4.320 -0.000 0.000 0.220 78 A C 2.657 180.257 177.584 0.027 0.000 1.164 78 A CA 2.331 54.384 52.037 0.026 0.000 0.643 78 A CB -0.631 18.386 19.000 0.028 0.000 0.806 78 A HN 0.767 nan 8.150 nan 0.000 0.451 79 S N -0.239 115.488 115.700 0.045 0.000 2.474 79 S HA -0.020 4.450 4.470 -0.000 0.000 0.235 79 S C 1.605 176.227 174.600 0.038 0.000 0.997 79 S CA 1.220 59.451 58.200 0.052 0.000 0.949 79 S CB -0.578 62.673 63.200 0.085 0.000 0.766 79 S HN 0.493 nan 8.310 nan 0.000 0.517 80 L N 0.412 121.637 121.223 0.003 0.000 2.418 80 L HA 0.158 4.498 4.340 -0.000 0.000 0.218 80 L C 2.296 179.165 176.870 -0.002 0.000 1.125 80 L CA 0.339 55.167 54.840 -0.021 0.000 0.835 80 L CB -0.510 41.475 42.059 -0.123 0.000 0.953 80 L HN 0.311 nan 8.230 nan 0.000 0.454 81 L N 0.154 121.379 121.223 0.003 0.000 1.994 81 L HA -0.137 4.203 4.340 -0.000 0.000 0.208 81 L C -0.118 176.760 176.870 0.013 0.000 1.071 81 L CA 1.455 56.301 54.840 0.010 0.000 0.745 81 L CB -1.945 40.121 42.059 0.011 0.000 0.892 81 L HN 0.205 nan 8.230 nan 0.000 0.431 82 P HA -0.157 nan 4.420 nan 0.000 0.218 82 P C 1.899 179.211 177.300 0.019 0.000 1.148 82 P CA 1.313 64.422 63.100 0.016 0.000 0.822 82 P CB 0.050 31.761 31.700 0.019 0.000 0.784 83 L N -1.793 119.445 121.223 0.025 0.000 2.141 83 L HA -0.122 4.218 4.340 -0.000 0.000 0.209 83 L C 2.286 179.173 176.870 0.029 0.000 1.094 83 L CA 0.809 55.667 54.840 0.031 0.000 0.763 83 L CB -0.921 41.162 42.059 0.041 0.000 0.908 83 L HN 0.011 nan 8.230 nan 0.000 0.437 84 L N -0.059 121.180 121.223 0.025 0.000 2.093 84 L HA -0.164 4.176 4.340 -0.000 0.000 0.208 84 L C 2.043 178.921 176.870 0.013 0.000 1.085 84 L CA 1.718 56.573 54.840 0.025 0.000 0.755 84 L CB -0.632 41.441 42.059 0.024 0.000 0.904 84 L HN 0.175 nan 8.230 nan 0.000 0.435 85 D N -0.640 119.764 120.400 0.007 0.000 2.123 85 D HA -0.184 4.456 4.640 -0.000 0.000 0.196 85 D C 1.866 178.165 176.300 -0.002 0.000 0.992 85 D CA 2.014 56.013 54.000 -0.003 0.000 0.833 85 D CB -0.292 40.507 40.800 -0.002 0.000 0.954 85 D HN 0.551 nan 8.370 nan 0.000 0.455 86 T N -2.555 112.004 114.554 0.008 0.000 3.144 86 T HA 0.439 4.789 4.350 -0.000 0.000 0.249 86 T C 1.364 176.073 174.700 0.014 0.000 1.089 86 T CA 0.377 62.483 62.100 0.009 0.000 0.989 86 T CB 0.475 69.352 68.868 0.014 0.000 0.992 86 T HN 0.063 nan 8.240 nan 0.000 0.540 87 A N 0.789 123.620 122.820 0.017 0.000 2.343 87 A HA 0.552 4.872 4.320 -0.000 0.000 0.223 87 A C 0.758 178.355 177.584 0.021 0.000 1.214 87 A CA -0.460 51.593 52.037 0.026 0.000 0.900 87 A CB -0.051 18.973 19.000 0.039 0.000 0.942 87 A HN 0.532 nan 8.150 nan 0.000 0.507 88 L N 2.473 123.698 121.223 0.003 0.000 2.453 88 L HA 0.207 4.547 4.340 -0.000 0.000 0.272 88 L C -1.762 175.100 176.870 -0.013 0.000 1.182 88 L CA -1.306 53.524 54.840 -0.016 0.000 0.858 88 L CB 0.273 42.299 42.059 -0.056 0.000 1.120 88 L HN 0.245 nan 8.230 nan 0.000 0.474 89 P HA 0.217 nan 4.420 nan 0.000 0.277 89 P C -0.747 176.541 177.300 -0.019 0.000 1.240 89 P CA -0.617 62.486 63.100 0.005 0.000 0.798 89 P CB 1.086 32.808 31.700 0.037 0.000 0.979 90 A N 0.978 123.793 122.820 -0.009 0.000 2.561 90 A HA 0.385 4.705 4.320 -0.000 0.000 0.234 90 A C 1.456 179.024 177.584 -0.026 0.000 1.055 90 A CA 0.980 53.007 52.037 -0.018 0.000 0.756 90 A CB -1.340 17.656 19.000 -0.007 0.000 0.986 90 A HN 0.963 nan 8.150 nan 0.000 0.505 91 G N 0.169 108.944 108.800 -0.042 0.000 2.258 91 G HA2 -0.109 3.851 3.960 -0.000 0.000 0.233 91 G HA3 -0.109 3.851 3.960 -0.000 0.000 0.233 91 G C 0.523 175.363 174.900 -0.099 0.000 1.006 91 G CA 0.498 45.569 45.100 -0.048 0.000 0.620 91 G HN 2.327 nan 8.290 nan 0.000 0.511 92 V N -0.121 119.701 119.914 -0.154 0.000 2.432 92 V HA 0.736 4.856 4.120 -0.000 0.000 0.271 92 V C 0.208 176.160 176.094 -0.235 0.000 1.046 92 V CA -0.973 61.145 62.300 -0.302 0.000 0.945 92 V CB 1.246 32.785 31.823 -0.474 0.000 0.992 92 V HN 0.373 nan 8.190 nan 0.000 0.471 93 E N 3.916 123.981 120.200 -0.226 0.000 2.349 93 E HA 0.403 4.753 4.350 -0.000 0.000 0.265 93 E C -0.435 176.068 176.600 -0.161 0.000 1.064 93 E CA -0.333 55.977 56.400 -0.152 0.000 0.886 93 E CB 0.921 30.553 29.700 -0.114 0.000 1.036 93 E HN 0.857 nan 8.360 nan 0.000 0.413 94 N N 1.691 120.327 118.700 -0.107 0.000 2.519 94 N HA 0.124 4.864 4.740 -0.000 0.000 0.291 94 N C -1.973 173.504 175.510 -0.056 0.000 1.107 94 N CA -0.416 52.581 53.050 -0.088 0.000 0.904 94 N CB 1.206 39.644 38.487 -0.082 0.000 1.500 94 N HN 0.264 nan 8.380 nan 0.000 0.510 95 D N 1.483 121.856 120.400 -0.045 0.000 2.198 95 D HA 0.370 5.010 4.640 -0.000 0.000 0.247 95 D C -0.454 175.834 176.300 -0.019 0.000 1.010 95 D CA -0.315 53.667 54.000 -0.029 0.000 0.880 95 D CB 2.468 43.252 40.800 -0.026 0.000 1.209 95 D HN 0.163 nan 8.370 nan 0.000 0.451 96 V N 2.987 122.893 119.914 -0.014 0.000 2.427 96 V HA 0.346 4.466 4.120 -0.000 0.000 0.286 96 V C -0.145 175.947 176.094 -0.003 0.000 1.034 96 V CA -0.547 61.749 62.300 -0.007 0.000 0.893 96 V CB 1.422 33.242 31.823 -0.006 0.000 0.982 96 V HN 0.321 nan 8.190 nan 0.000 0.452 97 L N 6.196 127.420 121.223 0.002 0.000 2.283 97 L HA 0.688 5.028 4.340 -0.000 0.000 0.259 97 L C -2.502 174.373 176.870 0.007 0.000 1.027 97 L CA -2.232 52.611 54.840 0.005 0.000 0.828 97 L CB 1.738 43.803 42.059 0.009 0.000 1.380 97 L HN 0.386 nan 8.230 nan 0.000 0.425 98 P HA 0.314 nan 4.420 nan 0.000 0.276 98 P C -0.288 177.019 177.300 0.012 0.000 1.253 98 P CA 0.100 63.205 63.100 0.009 0.000 0.766 98 P CB 0.706 32.410 31.700 0.007 0.000 0.845 99 A N 2.577 125.405 122.820 0.013 0.000 2.832 99 A HA 0.060 4.380 4.320 -0.000 0.000 0.280 99 A C 0.683 178.280 177.584 0.021 0.000 1.464 99 A CA 0.993 53.040 52.037 0.017 0.000 0.804 99 A CB -2.099 16.912 19.000 0.017 0.000 1.020 99 A HN 0.822 nan 8.150 nan 0.000 0.563 100 G N -1.881 106.930 108.800 0.019 0.000 2.576 100 G HA2 0.685 4.645 3.960 -0.000 0.000 0.290 100 G HA3 0.685 4.645 3.960 -0.000 0.000 0.290 100 G C -1.176 173.734 174.900 0.016 0.000 1.442 100 G CA -0.641 44.473 45.100 0.023 0.000 0.792 100 G HN 0.635 nan 8.290 nan 0.000 0.491 101 R N -0.954 119.557 120.500 0.019 0.000 2.740 101 R HA 0.695 5.035 4.340 -0.000 0.000 0.273 101 R C -1.550 174.755 176.300 0.009 0.000 0.998 101 R CA -0.744 55.361 56.100 0.008 0.000 0.900 101 R CB 2.107 32.410 30.300 0.005 0.000 1.223 101 R HN 0.446 nan 8.270 nan 0.000 0.466 102 V N 3.638 123.548 119.914 -0.007 0.000 2.443 102 V HA 0.404 4.524 4.120 -0.000 0.000 0.293 102 V C -0.598 175.474 176.094 -0.036 0.000 1.021 102 V CA -0.874 61.420 62.300 -0.009 0.000 0.848 102 V CB 1.907 33.723 31.823 -0.012 0.000 0.998 102 V HN 0.379 nan 8.190 nan 0.000 0.424 103 L N 4.652 125.857 121.223 -0.031 0.000 2.317 103 L HA 0.778 5.118 4.340 -0.000 0.000 0.281 103 L C 0.386 177.194 176.870 -0.104 0.000 1.024 103 L CA -0.332 54.434 54.840 -0.122 0.000 0.810 103 L CB 1.403 43.381 42.059 -0.134 0.000 1.240 103 L HN 0.849 nan 8.230 nan 0.000 0.427 104 R N 2.939 123.310 120.500 -0.216 0.000 2.388 104 R HA 0.638 4.978 4.340 -0.000 0.000 0.314 104 R C -1.130 175.036 176.300 -0.222 0.000 0.959 104 R CA -0.480 55.556 56.100 -0.108 0.000 0.851 104 R CB 0.547 30.799 30.300 -0.080 0.000 1.168 104 R HN 0.367 nan 8.270 nan 0.000 0.472 105 F N 4.094 124.012 119.950 -0.053 0.000 2.384 105 F HA 0.511 5.038 4.527 -0.000 0.000 0.338 105 F C -1.260 174.513 175.800 -0.045 0.000 1.103 105 F CA -2.268 55.708 58.000 -0.041 0.000 1.157 105 F CB 1.732 40.711 39.000 -0.034 0.000 1.167 105 F HN 0.432 nan 8.300 nan 0.000 0.529 106 P HA 0.138 nan 4.420 nan 0.000 0.275 106 P C -2.531 174.797 177.300 0.046 0.000 1.228 106 P CA -1.086 62.040 63.100 0.043 0.000 0.786 106 P CB 0.111 31.825 31.700 0.023 0.000 0.927 107 P HA 0.074 nan 4.420 nan 0.000 0.269 107 P C -0.407 176.896 177.300 0.004 0.000 1.215 107 P CA -0.017 63.080 63.100 -0.005 0.000 0.780 107 P CB 0.474 32.165 31.700 -0.014 0.000 0.898 108 V N 1.478 121.389 119.914 -0.005 0.000 2.567 108 V HA 0.137 4.257 4.120 -0.000 0.000 0.289 108 V C 1.130 177.227 176.094 0.004 0.000 1.049 108 V CA -0.442 61.863 62.300 0.008 0.000 0.969 108 V CB 1.100 32.929 31.823 0.010 0.000 0.995 108 V HN 0.753 nan 8.190 nan 0.000 0.471 109 S N 5.726 121.432 115.700 0.009 0.000 2.537 109 S HA 0.150 4.620 4.470 -0.000 0.000 0.286 109 S C -1.062 173.541 174.600 0.004 0.000 1.299 109 S CA -0.789 57.414 58.200 0.006 0.000 1.067 109 S CB 0.610 63.814 63.200 0.007 0.000 0.864 109 S HN 0.745 nan 8.310 nan 0.000 0.494 110 P HA 0.145 nan 4.420 nan 0.000 0.255 110 P C 0.117 177.417 177.300 0.000 0.000 1.357 110 P CA 0.036 63.136 63.100 0.001 0.000 0.839 110 P CB 0.087 31.786 31.700 -0.001 0.000 1.356 111 L N -1.353 119.870 121.223 0.001 0.000 2.808 111 L HA 0.225 4.565 4.340 -0.000 0.000 0.246 111 L C 0.700 177.570 176.870 -0.001 0.000 1.153 111 L CA -0.018 54.821 54.840 -0.000 0.000 0.956 111 L CB -0.535 41.524 42.059 -0.001 0.000 1.270 111 L HN -0.115 nan 8.230 nan 0.000 0.528 112 L N 0.149 121.372 121.223 0.001 0.000 2.436 112 L HA 0.198 4.538 4.340 -0.000 0.000 0.265 112 L C 0.512 177.380 176.870 -0.004 0.000 1.168 112 L CA -0.233 54.607 54.840 -0.000 0.000 0.815 112 L CB 0.198 42.259 42.059 0.004 0.000 1.109 112 L HN 0.221 nan 8.230 nan 0.000 0.462 113 D N -0.267 120.129 120.400 -0.008 0.000 2.358 113 D HA 0.088 4.728 4.640 -0.000 0.000 0.244 113 D C 0.594 176.885 176.300 -0.016 0.000 1.163 113 D CA -0.419 53.574 54.000 -0.012 0.000 0.945 113 D CB 0.642 41.433 40.800 -0.015 0.000 1.152 113 D HN 0.402 nan 8.370 nan 0.000 0.451 114 E N 0.542 120.730 120.200 -0.020 0.000 2.160 114 E HA -0.180 4.170 4.350 -0.000 0.000 0.195 114 E C 1.312 177.889 176.600 -0.038 0.000 0.991 114 E CA 0.994 57.379 56.400 -0.026 0.000 0.810 114 E CB -0.372 29.311 29.700 -0.029 0.000 0.742 114 E HN 0.533 nan 8.360 nan 0.000 0.466 115 N N 0.700 119.374 118.700 -0.043 0.000 2.171 115 N HA -0.083 4.657 4.740 -0.000 0.000 0.184 115 N C 1.738 177.211 175.510 -0.061 0.000 1.021 115 N CA 1.465 54.479 53.050 -0.060 0.000 0.854 115 N CB -0.198 38.255 38.487 -0.058 0.000 0.994 115 N HN 0.148 nan 8.380 nan 0.000 0.426 116 A N 0.844 123.640 122.820 -0.041 0.000 1.930 116 A HA -0.104 4.216 4.320 -0.000 0.000 0.217 116 A C 2.080 179.656 177.584 -0.015 0.000 1.175 116 A CA 1.192 53.210 52.037 -0.031 0.000 0.627 116 A CB -0.498 18.491 19.000 -0.018 0.000 0.815 116 A HN 0.205 nan 8.150 nan 0.000 0.443 117 R N -0.907 119.589 120.500 -0.007 0.000 2.152 117 R HA -0.103 4.237 4.340 -0.000 0.000 0.232 117 R C 1.833 178.151 176.300 0.030 0.000 1.117 117 R CA 1.336 57.447 56.100 0.017 0.000 0.981 117 R CB -0.319 29.992 30.300 0.018 0.000 0.870 117 R HN 0.447 nan 8.270 nan 0.000 0.451 118 L N -0.334 120.884 121.223 -0.008 0.000 2.217 118 L HA -0.071 4.269 4.340 -0.000 0.000 0.211 118 L C 1.299 178.193 176.870 0.040 0.000 1.107 118 L CA 1.409 56.239 54.840 -0.016 0.000 0.783 118 L CB 0.042 42.048 42.059 -0.088 0.000 0.919 118 L HN 0.210 nan 8.230 nan 0.000 0.442 119 C N -0.254 119.052 119.300 0.010 0.000 2.754 119 C HA 0.270 4.730 4.460 -0.000 0.000 0.276 119 C C 1.416 176.461 174.990 0.092 0.000 1.264 119 C CA -0.143 58.912 59.018 0.062 0.000 1.700 119 C CB -1.950 25.760 27.740 -0.051 0.000 1.885 119 C HN 0.617 nan 8.230 nan 0.000 0.607 120 S N 0.849 116.599 115.700 0.084 0.000 2.572 120 S HA 0.391 4.861 4.470 -0.000 0.000 0.279 120 S C -0.346 174.323 174.600 0.115 0.000 1.341 120 S CA -0.426 57.827 58.200 0.088 0.000 1.043 120 S CB 0.611 63.859 63.200 0.080 0.000 0.887 120 S HN 0.250 nan 8.310 nan 0.000 0.516 121 L N 2.878 124.171 121.223 0.117 0.000 2.514 121 L HA 0.339 4.679 4.340 -0.000 0.000 0.280 121 L C 0.604 177.550 176.870 0.126 0.000 1.223 121 L CA 1.406 56.338 54.840 0.153 0.000 0.864 121 L CB 0.211 42.397 42.059 0.212 0.000 1.118 121 L HN 1.190 nan 8.230 nan 0.000 0.494 122 S N 1.233 116.937 115.700 0.008 0.000 2.661 122 S HA 0.328 4.798 4.470 -0.000 0.000 0.268 122 S C 0.663 174.849 174.600 -0.691 0.000 1.162 122 S CA -0.319 57.813 58.200 -0.113 0.000 0.817 122 S CB 0.616 64.007 63.200 0.319 0.000 1.141 122 S HN 0.727 nan 8.310 nan 0.000 0.477 123 V N -1.120 118.460 119.914 -0.557 0.000 2.867 123 V HA 0.044 4.164 4.120 -0.000 0.000 0.260 123 V C 1.734 177.569 176.094 -0.433 0.000 1.099 123 V CA 1.509 63.374 62.300 -0.724 0.000 1.122 123 V CB -1.651 29.943 31.823 -0.382 0.000 0.708 123 V HN 0.713 nan 8.190 nan 0.000 0.490 124 F N 1.161 121.023 119.950 -0.147 0.000 2.293 124 F HA -0.022 4.505 4.527 -0.000 0.000 0.300 124 F C 2.315 178.008 175.800 -0.178 0.000 1.086 124 F CA 1.697 59.651 58.000 -0.076 0.000 1.375 124 F CB -0.420 38.499 39.000 -0.136 0.000 1.045 124 F HN 0.198 nan 8.300 nan 0.000 0.516 125 D N 0.268 120.608 120.400 -0.100 0.000 2.310 125 D HA -0.111 4.529 4.640 -0.000 0.000 0.212 125 D C 2.287 178.588 176.300 0.001 0.000 0.965 125 D CA 0.968 54.951 54.000 -0.028 0.000 0.879 125 D CB -0.140 40.701 40.800 0.067 0.000 0.921 125 D HN 0.294 nan 8.370 nan 0.000 0.510 126 A N 0.563 123.303 122.820 -0.134 0.000 1.908 126 A HA -0.184 4.136 4.320 -0.000 0.000 0.218 126 A C 1.959 179.430 177.584 -0.188 0.000 1.181 126 A CA 1.066 53.039 52.037 -0.107 0.000 0.627 126 A CB -0.951 17.893 19.000 -0.261 0.000 0.818 126 A HN 0.185 nan 8.150 nan 0.000 0.445 127 F N -0.423 119.474 119.950 -0.087 0.000 2.146 127 F HA -0.108 4.419 4.527 -0.000 0.000 0.298 127 F C 2.660 178.390 175.800 -0.117 0.000 1.096 127 F CA 1.306 59.161 58.000 -0.243 0.000 1.275 127 F CB -0.240 38.494 39.000 -0.442 0.000 1.008 127 F HN 0.078 nan 8.300 nan 0.000 0.480 128 R N 0.477 121.031 120.500 0.091 0.000 2.096 128 R HA -0.130 4.210 4.340 -0.000 0.000 0.235 128 R C 2.149 178.510 176.300 0.101 0.000 1.127 128 R CA 1.240 57.385 56.100 0.074 0.000 0.968 128 R CB -0.722 29.596 30.300 0.031 0.000 0.861 128 R HN 0.362 nan 8.270 nan 0.000 0.440 129 L N 0.570 121.852 121.223 0.099 0.000 2.056 129 L HA -0.171 4.169 4.340 -0.000 0.000 0.207 129 L C 2.406 179.346 176.870 0.115 0.000 1.078 129 L CA 1.136 56.037 54.840 0.102 0.000 0.749 129 L CB -0.401 41.719 42.059 0.102 0.000 0.901 129 L HN 0.182 nan 8.230 nan 0.000 0.433 130 L N -0.786 120.523 121.223 0.143 0.000 2.093 130 L HA -0.221 4.119 4.340 -0.000 0.000 0.208 130 L C 2.687 179.686 176.870 0.214 0.000 1.085 130 L CA 1.225 56.172 54.840 0.178 0.000 0.755 130 L CB -0.421 41.805 42.059 0.278 0.000 0.904 130 L HN 0.348 nan 8.230 nan 0.000 0.435 131 Q N -0.524 119.429 119.800 0.256 0.000 2.167 131 Q HA -0.121 4.219 4.340 -0.000 0.000 0.202 131 Q C 2.135 178.246 176.000 0.186 0.000 0.970 131 Q CA 1.297 57.258 55.803 0.262 0.000 0.855 131 Q CB -0.249 28.648 28.738 0.264 0.000 0.911 131 Q HN 0.591 nan 8.270 nan 0.000 0.438 132 G N 0.420 109.307 108.800 0.145 0.000 2.813 132 G HA2 -0.049 3.911 3.960 -0.000 0.000 0.209 132 G HA3 -0.049 3.911 3.960 -0.000 0.000 0.209 132 G C 1.378 176.340 174.900 0.104 0.000 1.150 132 G CA 0.591 45.760 45.100 0.116 0.000 0.785 132 G HN 0.331 nan 8.290 nan 0.000 0.535 133 V N -1.050 118.927 119.914 0.106 0.000 3.623 133 V HA 0.350 4.470 4.120 -0.000 0.000 0.271 133 V C 0.630 176.784 176.094 0.101 0.000 1.248 133 V CA 0.313 62.666 62.300 0.090 0.000 1.156 133 V CB -0.811 31.056 31.823 0.074 0.000 0.870 133 V HN 0.274 nan 8.190 nan 0.000 0.453 134 V N -2.937 117.052 119.914 0.124 0.000 3.049 134 V HA 0.631 4.751 4.120 -0.000 0.000 0.309 134 V C -0.918 175.256 176.094 0.133 0.000 1.148 134 V CA -1.076 61.305 62.300 0.136 0.000 0.990 134 V CB 1.860 33.795 31.823 0.186 0.000 1.039 134 V HN 0.210 nan 8.190 nan 0.000 0.430 135 N N 1.977 120.746 118.700 0.115 0.000 2.444 135 N HA 0.603 5.343 4.740 -0.000 0.000 0.271 135 N C -0.896 174.681 175.510 0.113 0.000 1.069 135 N CA -0.011 53.102 53.050 0.104 0.000 0.965 135 N CB 1.578 40.114 38.487 0.081 0.000 1.092 135 N HN 0.655 nan 8.380 nan 0.000 0.476 136 I N 2.750 123.393 120.570 0.121 0.000 2.460 136 I HA 0.350 4.520 4.170 -0.000 0.000 0.298 136 I C -1.984 174.193 176.117 0.099 0.000 0.989 136 I CA -2.106 59.268 61.300 0.123 0.000 1.173 136 I CB 0.898 38.994 38.000 0.161 0.000 1.338 136 I HN 0.272 nan 8.210 nan 0.000 0.456 137 P HA 0.128 nan 4.420 nan 0.000 0.271 137 P C 0.760 178.099 177.300 0.065 0.000 1.220 137 P CA -0.196 62.938 63.100 0.055 0.000 0.768 137 P CB 0.492 32.209 31.700 0.029 0.000 0.848 138 T N -1.770 112.823 114.554 0.066 0.000 3.055 138 T HA -0.092 4.258 4.350 -0.000 0.000 0.265 138 T C 1.652 176.365 174.700 0.022 0.000 1.111 138 T CA 1.229 63.376 62.100 0.079 0.000 1.118 138 T CB -0.730 68.191 68.868 0.089 0.000 0.909 138 T HN 0.377 nan 8.240 nan 0.000 0.501 139 Q N 0.736 120.539 119.800 0.005 0.000 2.444 139 Q HA 0.210 4.550 4.340 -0.000 0.000 0.206 139 Q C 0.686 176.657 176.000 -0.049 0.000 0.948 139 Q CA 0.435 56.226 55.803 -0.021 0.000 0.946 139 Q CB -0.258 28.477 28.738 -0.006 0.000 1.027 139 Q HN 0.629 nan 8.270 nan 0.000 0.513 140 E N -0.326 119.843 120.200 -0.051 0.000 2.182 140 E HA 0.262 4.612 4.350 -0.000 0.000 0.258 140 E C 0.151 176.706 176.600 -0.075 0.000 0.879 140 E CA -0.531 55.838 56.400 -0.052 0.000 0.754 140 E CB 1.541 31.230 29.700 -0.018 0.000 1.162 140 E HN 0.478 nan 8.360 nan 0.000 0.419 141 R N 2.086 122.515 120.500 -0.118 0.000 2.081 141 R HA -0.142 4.198 4.340 -0.000 0.000 0.235 141 R C 0.301 176.669 176.300 0.114 0.000 1.131 141 R CA 1.595 57.635 56.100 -0.101 0.000 0.960 141 R CB 0.366 30.639 30.300 -0.046 0.000 0.856 141 R HN 0.212 nan 8.270 nan 0.000 0.436 142 E N -0.312 119.952 120.200 0.107 0.000 2.437 142 E HA 0.173 4.523 4.350 -0.000 0.000 0.195 142 E C 0.830 177.510 176.600 0.133 0.000 1.029 142 E CA 0.311 56.824 56.400 0.188 0.000 0.948 142 E CB 0.989 30.744 29.700 0.092 0.000 1.082 142 E HN 0.400 nan 8.360 nan 0.000 0.456 143 A N 0.666 123.548 122.820 0.103 0.000 1.892 143 A HA -0.119 4.201 4.320 -0.000 0.000 0.218 143 A C 1.302 178.947 177.584 0.102 0.000 1.188 143 A CA 1.101 53.178 52.037 0.067 0.000 0.631 143 A CB -0.107 18.935 19.000 0.070 0.000 0.822 143 A HN 0.392 nan 8.150 nan 0.000 0.447 144 M N -0.837 118.871 119.600 0.180 0.000 2.018 144 M HA 0.553 5.033 4.480 -0.000 0.000 0.311 144 M C -1.626 174.764 176.300 0.150 0.000 0.928 144 M CA -0.508 54.901 55.300 0.183 0.000 0.911 144 M CB 0.969 33.722 32.600 0.254 0.000 1.447 144 M HN 0.253 nan 8.290 nan 0.000 0.407 145 F N 5.058 124.931 119.950 -0.128 0.000 2.426 145 F HA 0.614 5.140 4.527 -0.000 0.000 0.348 145 F C -1.842 173.760 175.800 -0.329 0.000 1.124 145 F CA -0.474 57.452 58.000 -0.123 0.000 1.008 145 F CB 0.882 39.840 39.000 -0.070 0.000 1.139 145 F HN 0.426 nan 8.300 nan 0.000 0.452 146 F N 4.064 123.669 119.950 -0.574 0.000 2.426 146 F HA 0.641 5.168 4.527 -0.000 0.000 0.348 146 F C 0.504 175.932 175.800 -0.621 0.000 1.124 146 F CA -0.822 56.816 58.000 -0.605 0.000 1.008 146 F CB 1.835 40.022 39.000 -1.354 0.000 1.139 146 F HN 0.567 nan 8.300 nan 0.000 0.452 147 G N 0.924 109.745 108.800 0.035 0.000 2.542 147 G HA2 0.704 4.664 3.960 -0.000 0.000 0.311 147 G HA3 0.704 4.664 3.960 -0.000 0.000 0.311 147 G C -0.570 174.133 174.900 -0.328 0.000 1.298 147 G CA -0.465 44.646 45.100 0.019 0.000 0.973 147 G HN 1.025 nan 8.290 nan 0.000 0.487 148 G N -0.481 107.821 108.800 -0.830 0.000 2.399 148 G HA2 0.524 4.484 3.960 -0.000 0.000 0.256 148 G HA3 0.524 4.484 3.960 -0.000 0.000 0.256 148 G C -2.051 171.974 174.900 -1.459 0.000 1.236 148 G CA -0.226 43.986 45.100 -1.480 0.000 0.914 148 G HN 1.446 nan 8.290 nan 0.000 0.482 149 L N -0.021 120.366 121.223 -1.394 0.000 2.385 149 L HA 0.867 5.207 4.340 -0.000 0.000 0.273 149 L C -1.586 175.080 176.870 -0.340 0.000 0.990 149 L CA -0.862 53.586 54.840 -0.653 0.000 0.821 149 L CB 1.490 43.390 42.059 -0.264 0.000 1.279 149 L HN 0.425 nan 8.230 nan 0.000 0.412 150 F N 4.730 124.695 119.950 0.025 0.000 2.361 150 F HA 0.687 5.214 4.527 -0.000 0.000 0.364 150 F C 0.908 176.793 175.800 0.141 0.000 1.117 150 F CA -0.565 57.528 58.000 0.154 0.000 1.071 150 F CB 1.497 40.456 39.000 -0.069 0.000 1.188 150 F HN 0.727 nan 8.300 nan 0.000 0.464 151 A N 3.277 126.293 122.820 0.326 0.000 2.366 151 A HA 0.062 4.382 4.320 -0.000 0.000 0.249 151 A C 0.752 178.504 177.584 0.279 0.000 1.084 151 A CA -0.273 51.904 52.037 0.233 0.000 0.794 151 A CB 0.153 19.249 19.000 0.160 0.000 1.034 151 A HN 0.901 nan 8.150 nan 0.000 0.491 152 Y N 0.489 120.864 120.300 0.126 0.000 2.165 152 Y HA -0.237 4.313 4.550 -0.000 0.000 0.286 152 Y C 1.574 177.546 175.900 0.120 0.000 1.155 152 Y CA 2.611 60.776 58.100 0.109 0.000 1.164 152 Y CB 0.091 38.597 38.460 0.077 0.000 0.978 152 Y HN 0.738 nan 8.280 nan 0.000 0.513 153 D N 0.346 120.921 120.400 0.291 0.000 2.384 153 D HA -0.147 4.493 4.640 -0.000 0.000 0.222 153 D C 2.038 178.428 176.300 0.151 0.000 0.976 153 D CA 0.750 54.873 54.000 0.205 0.000 0.915 153 D CB -0.219 40.706 40.800 0.208 0.000 0.896 153 D HN 0.392 nan 8.370 nan 0.000 0.523 154 L N 0.899 122.225 121.223 0.172 0.000 2.127 154 L HA -0.121 4.219 4.340 -0.000 0.000 0.211 154 L C 2.186 179.231 176.870 0.293 0.000 1.089 154 L CA 1.120 56.104 54.840 0.239 0.000 0.757 154 L CB -0.568 41.670 42.059 0.300 0.000 0.899 154 L HN -0.117 nan 8.230 nan 0.000 0.434 155 V N -0.046 119.945 119.914 0.128 0.000 2.490 155 V HA -0.259 3.861 4.120 -0.000 0.000 0.250 155 V C 2.603 178.814 176.094 0.195 0.000 1.061 155 V CA 1.597 63.968 62.300 0.118 0.000 1.064 155 V CB -0.619 31.123 31.823 -0.136 0.000 0.670 155 V HN 0.610 nan 8.190 nan 0.000 0.461 156 A N -0.187 122.702 122.820 0.115 0.000 2.131 156 A HA -0.052 4.268 4.320 -0.000 0.000 0.220 156 A C 2.092 179.737 177.584 0.101 0.000 1.158 156 A CA 1.596 53.666 52.037 0.055 0.000 0.665 156 A CB -0.906 18.109 19.000 0.025 0.000 0.795 156 A HN 0.708 nan 8.150 nan 0.000 0.460 157 G N -3.005 105.870 108.800 0.124 0.000 3.042 157 G HA2 0.314 4.274 3.960 -0.000 0.000 0.212 157 G HA3 0.314 4.274 3.960 -0.000 0.000 0.212 157 G C 0.634 175.188 174.900 -0.577 0.000 1.166 157 G CA 0.413 45.389 45.100 -0.207 0.000 0.767 157 G HN 0.451 nan 8.290 nan 0.000 0.546 158 F N -0.516 119.452 119.950 0.030 0.000 2.880 158 F HA 0.414 4.941 4.527 0.000 0.000 0.346 158 F C 0.392 176.183 175.800 -0.016 0.000 1.054 158 F CA -0.363 57.645 58.000 0.013 0.000 1.151 158 F CB 0.892 39.902 39.000 0.017 0.000 1.066 158 F HN -0.142 nan 8.300 nan 0.000 0.566 159 E N 0.542 120.818 120.200 0.127 0.000 2.343 159 E HA 0.577 4.927 4.350 -0.000 0.000 0.270 159 E C -0.699 175.898 176.600 -0.005 0.000 0.895 159 E CA -0.818 55.608 56.400 0.043 0.000 0.767 159 E CB 2.101 31.812 29.700 0.019 0.000 1.248 159 E HN -0.088 nan 8.360 nan 0.000 0.440 160 A N 2.771 125.578 122.820 -0.021 0.000 2.655 160 A HA 0.344 4.664 4.320 -0.000 0.000 0.297 160 A C -0.555 176.986 177.584 -0.071 0.000 1.461 160 A CA 0.141 52.151 52.037 -0.045 0.000 1.146 160 A CB -0.894 18.088 19.000 -0.030 0.000 1.108 160 A HN 0.255 nan 8.150 nan 0.000 0.550 161 L N 3.139 124.283 121.223 -0.131 0.000 2.354 161 L HA 0.569 4.909 4.340 -0.000 0.000 0.264 161 L C -2.240 174.473 176.870 -0.263 0.000 1.008 161 L CA -1.704 53.047 54.840 -0.147 0.000 0.819 161 L CB 1.560 43.550 42.059 -0.115 0.000 1.339 161 L HN 0.299 nan 8.230 nan 0.000 0.420 162 P HA 0.151 nan 4.420 nan 0.000 0.269 162 P C -0.809 176.366 177.300 -0.209 0.000 1.209 162 P CA -0.130 62.883 63.100 -0.144 0.000 0.776 162 P CB 0.316 31.988 31.700 -0.047 0.000 0.876 163 H N 3.309 122.390 119.070 0.017 0.000 2.508 163 H HA 0.112 4.668 4.556 -0.000 0.000 0.224 163 H C 0.382 175.721 175.328 0.018 0.000 1.723 163 H CA -0.394 55.665 56.048 0.018 0.000 1.251 163 H CB -0.389 29.377 29.762 0.006 0.000 1.627 163 H HN 0.244 nan 8.280 nan 0.000 0.543 164 L N -0.359 120.921 121.223 0.095 0.000 2.473 164 L HA 0.148 4.488 4.340 -0.000 0.000 0.265 164 L C 0.978 177.889 176.870 0.068 0.000 1.243 164 L CA -0.277 54.603 54.840 0.067 0.000 0.822 164 L CB 0.075 42.161 42.059 0.045 0.000 1.101 164 L HN 0.411 nan 8.230 nan 0.000 0.507 165 E N 0.652 120.879 120.200 0.045 0.000 2.425 165 E HA 0.395 4.745 4.350 -0.000 0.000 0.258 165 E C 0.286 176.906 176.600 0.034 0.000 1.151 165 E CA -0.296 56.125 56.400 0.035 0.000 0.958 165 E CB 0.493 30.206 29.700 0.022 0.000 0.968 165 E HN 0.758 nan 8.360 nan 0.000 0.451 166 A N 1.291 124.127 122.820 0.027 0.000 2.529 166 A HA 0.473 4.793 4.320 -0.000 0.000 0.243 166 A C 1.230 178.821 177.584 0.012 0.000 1.781 166 A CA 0.449 52.500 52.037 0.022 0.000 0.877 166 A CB -0.824 18.186 19.000 0.017 0.000 1.601 166 A HN 1.020 nan 8.150 nan 0.000 0.674 167 G N -2.117 106.685 108.800 0.003 0.000 3.942 167 G HA2 0.082 4.042 3.960 -0.000 0.000 0.219 167 G HA3 0.082 4.042 3.960 -0.000 0.000 0.219 167 G C -0.229 174.665 174.900 -0.011 0.000 0.869 167 G CA 0.558 45.654 45.100 -0.006 0.000 0.851 167 G HN 1.236 nan 8.290 nan 0.000 0.560 168 N N -0.230 118.461 118.700 -0.014 0.000 2.732 168 N HA 0.266 5.006 4.740 -0.000 0.000 0.259 168 N C -0.898 174.598 175.510 -0.023 0.000 1.402 168 N CA -0.774 52.260 53.050 -0.027 0.000 0.829 168 N CB 0.819 39.267 38.487 -0.064 0.000 1.495 168 N HN -0.131 nan 8.380 nan 0.000 0.511 169 N N -0.731 117.960 118.700 -0.014 0.000 2.313 169 N HA 0.192 4.932 4.740 -0.000 0.000 0.207 169 N C -0.733 174.765 175.510 -0.020 0.000 1.141 169 N CA -0.111 52.958 53.050 0.031 0.000 0.830 169 N CB -0.123 38.438 38.487 0.122 0.000 1.008 169 N HN 0.425 nan 8.380 nan 0.000 0.481 170 C N 3.072 122.257 119.300 -0.191 0.000 2.482 170 C HA 0.289 4.749 4.460 -0.000 0.000 0.378 170 C C -1.350 173.590 174.990 -0.083 0.000 1.284 170 C CA -1.295 57.528 59.018 -0.325 0.000 1.826 170 C CB 0.315 27.788 27.740 -0.445 0.000 2.473 170 C HN 0.373 nan 8.230 nan 0.000 0.562 171 P HA 0.188 nan 4.420 nan 0.000 0.289 171 P C 0.211 177.538 177.300 0.045 0.000 1.299 171 P CA -0.006 63.116 63.100 0.036 0.000 0.766 171 P CB 0.839 32.582 31.700 0.071 0.000 1.226 172 D N -1.547 118.868 120.400 0.025 0.000 2.178 172 D HA -0.058 4.582 4.640 -0.000 0.000 0.202 172 D C 0.494 176.925 176.300 0.217 0.000 0.974 172 D CA 2.001 56.048 54.000 0.079 0.000 0.841 172 D CB -0.289 40.519 40.800 0.012 0.000 0.953 172 D HN 0.471 nan 8.370 nan 0.000 0.478 173 Y N -2.042 118.344 120.300 0.144 0.000 2.581 173 Y HA 0.510 5.060 4.550 -0.000 0.000 0.337 173 Y C -1.434 174.569 175.900 0.171 0.000 1.108 173 Y CA -2.539 55.684 58.100 0.204 0.000 1.033 173 Y CB 0.807 39.479 38.460 0.353 0.000 1.318 173 Y HN -0.160 nan 8.280 nan 0.000 0.459 174 C N 4.599 124.143 119.300 0.407 0.000 2.679 174 C HA 0.809 5.269 4.460 -0.000 0.000 0.354 174 C C -1.988 172.863 174.990 -0.231 0.000 1.067 174 C CA -0.576 58.560 59.018 0.197 0.000 1.317 174 C CB -1.294 26.536 27.740 0.149 0.000 1.843 174 C HN 0.691 nan 8.230 nan 0.000 0.459 175 F N 4.217 124.116 119.950 -0.086 0.000 2.577 175 F HA 0.737 5.264 4.527 -0.000 0.000 0.318 175 F C -0.588 175.154 175.800 -0.098 0.000 1.065 175 F CA -0.451 57.405 58.000 -0.241 0.000 0.929 175 F CB 1.582 40.533 39.000 -0.082 0.000 1.237 175 F HN 0.453 nan 8.300 nan 0.000 0.468 176 Y N 2.318 122.781 120.300 0.271 0.000 2.393 176 Y HA 0.563 5.113 4.550 -0.000 0.000 0.341 176 Y C -0.599 175.405 175.900 0.173 0.000 0.988 176 Y CA -1.545 56.676 58.100 0.200 0.000 1.078 176 Y CB 1.376 39.906 38.460 0.116 0.000 1.203 176 Y HN 0.321 nan 8.280 nan 0.000 0.453 177 L N 3.389 124.762 121.223 0.251 0.000 2.265 177 L HA 0.792 5.132 4.340 -0.000 0.000 0.288 177 L C 0.085 177.008 176.870 0.088 0.000 1.058 177 L CA -0.680 54.124 54.840 -0.061 0.000 0.809 177 L CB 0.181 42.144 42.059 -0.161 0.000 1.179 177 L HN 0.738 nan 8.230 nan 0.000 0.429 178 A N 4.150 127.037 122.820 0.113 0.000 2.440 178 A HA 0.260 4.580 4.320 -0.000 0.000 0.251 178 A C 0.850 178.515 177.584 0.135 0.000 1.089 178 A CA 0.193 52.310 52.037 0.132 0.000 0.779 178 A CB 0.151 19.216 19.000 0.107 0.000 1.022 178 A HN 0.956 nan 8.150 nan 0.000 0.492 179 E N 0.916 121.164 120.200 0.081 0.000 2.175 179 E HA 0.037 4.387 4.350 -0.000 0.000 0.195 179 E C 0.409 176.984 176.600 -0.042 0.000 0.934 179 E CA 1.025 57.457 56.400 0.053 0.000 0.870 179 E CB 0.395 30.133 29.700 0.063 0.000 0.838 179 E HN 0.767 nan 8.360 nan 0.000 0.474 180 T N -0.156 114.370 114.554 -0.046 0.000 2.841 180 T HA 0.581 4.931 4.350 -0.000 0.000 0.285 180 T C -0.924 173.714 174.700 -0.104 0.000 0.991 180 T CA -0.913 61.140 62.100 -0.078 0.000 0.966 180 T CB 1.668 70.498 68.868 -0.064 0.000 0.962 180 T HN 0.068 nan 8.240 nan 0.000 0.438 181 L N 3.263 124.397 121.223 -0.148 0.000 2.408 181 L HA 0.765 5.105 4.340 -0.000 0.000 0.268 181 L C -1.119 175.637 176.870 -0.190 0.000 0.986 181 L CA -0.970 53.737 54.840 -0.221 0.000 0.820 181 L CB 2.182 44.017 42.059 -0.374 0.000 1.303 181 L HN 0.849 nan 8.230 nan 0.000 0.411 182 M N 4.987 124.481 119.600 -0.176 0.000 2.243 182 M HA 0.535 5.015 4.480 -0.000 0.000 0.324 182 M C -1.282 174.928 176.300 -0.151 0.000 1.031 182 M CA -0.834 54.383 55.300 -0.138 0.000 0.949 182 M CB 2.005 34.543 32.600 -0.103 0.000 1.615 182 M HN 0.282 nan 8.290 nan 0.000 0.430 183 V N 5.276 125.110 119.914 -0.133 0.000 2.378 183 V HA 0.451 4.571 4.120 -0.000 0.000 0.288 183 V C -0.197 175.846 176.094 -0.084 0.000 1.016 183 V CA -0.520 61.710 62.300 -0.117 0.000 0.840 183 V CB 1.490 33.243 31.823 -0.117 0.000 0.994 183 V HN 0.722 nan 8.190 nan 0.000 0.431 184 I N 4.071 124.588 120.570 -0.088 0.000 2.297 184 I HA 0.286 4.456 4.170 -0.000 0.000 0.291 184 I C 0.007 176.047 176.117 -0.128 0.000 1.033 184 I CA -0.143 61.080 61.300 -0.129 0.000 1.253 184 I CB 1.054 38.907 38.000 -0.245 0.000 1.396 184 I HN 0.533 nan 8.210 nan 0.000 0.476 185 D N 6.026 126.399 120.400 -0.044 0.000 2.411 185 D HA 0.097 4.737 4.640 -0.000 0.000 0.225 185 D C 0.912 177.211 176.300 -0.001 0.000 1.156 185 D CA -0.172 53.824 54.000 -0.005 0.000 0.874 185 D CB 0.576 41.375 40.800 -0.001 0.000 1.034 185 D HN 0.475 nan 8.370 nan 0.000 0.502 186 H N 1.578 120.733 119.070 0.143 0.000 2.561 186 H HA -0.079 4.477 4.556 -0.000 0.000 0.278 186 H C 1.477 176.798 175.328 -0.011 0.000 1.014 186 H CA 0.860 56.990 56.048 0.137 0.000 1.211 186 H CB 0.559 30.412 29.762 0.152 0.000 1.365 186 H HN 0.341 nan 8.280 nan 0.000 0.594 187 Q N 1.148 120.991 119.800 0.072 0.000 2.063 187 Q HA 0.015 4.355 4.340 -0.000 0.000 0.194 187 Q C 1.379 177.341 176.000 -0.063 0.000 0.974 187 Q CA 1.325 57.136 55.803 0.014 0.000 0.827 187 Q CB 0.306 29.063 28.738 0.032 0.000 0.902 187 Q HN 0.228 nan 8.270 nan 0.000 0.462 188 K N 0.633 120.990 120.400 -0.071 0.000 2.525 188 K HA 0.060 4.380 4.320 -0.000 0.000 0.192 188 K C -0.594 175.888 176.600 -0.197 0.000 1.029 188 K CA 0.146 56.374 56.287 -0.100 0.000 1.029 188 K CB 0.151 32.616 32.500 -0.058 0.000 0.814 188 K HN 0.141 nan 8.250 nan 0.000 0.503 189 K N 1.614 121.803 120.400 -0.351 0.000 3.689 189 K HA -0.175 4.145 4.320 -0.000 0.000 0.276 189 K C -0.712 175.641 176.600 -0.412 0.000 0.932 189 K CA 0.674 56.443 56.287 -0.863 0.000 0.758 189 K CB -1.912 30.058 32.500 -0.884 0.000 1.500 189 K HN 0.399 nan 8.250 nan 0.000 0.448 190 S N -1.378 114.291 115.700 -0.051 0.000 2.638 190 S HA 0.671 5.141 4.470 -0.000 0.000 0.274 190 S C -0.532 174.141 174.600 0.121 0.000 1.157 190 S CA -0.909 57.335 58.200 0.074 0.000 0.826 190 S CB 2.667 65.863 63.200 -0.007 0.000 1.139 190 S HN 0.081 nan 8.310 nan 0.000 0.474 191 T N 1.474 116.062 114.554 0.056 0.000 2.841 191 T HA 0.578 4.928 4.350 -0.000 0.000 0.285 191 T C -0.790 173.891 174.700 -0.031 0.000 0.991 191 T CA -0.548 61.548 62.100 -0.006 0.000 0.966 191 T CB 1.268 70.113 68.868 -0.038 0.000 0.962 191 T HN 0.685 nan 8.240 nan 0.000 0.438 192 R N 3.398 123.869 120.500 -0.049 0.000 2.445 192 R HA 0.690 5.030 4.340 -0.000 0.000 0.308 192 R C -1.107 175.147 176.300 -0.077 0.000 0.961 192 R CA -0.667 55.398 56.100 -0.057 0.000 0.862 192 R CB 0.756 31.023 30.300 -0.056 0.000 1.144 192 R HN 0.593 nan 8.270 nan 0.000 0.447 193 I N 4.478 125.004 120.570 -0.074 0.000 2.433 193 I HA 0.274 4.444 4.170 -0.000 0.000 0.292 193 I C -0.557 175.510 176.117 -0.083 0.000 1.001 193 I CA -0.756 60.493 61.300 -0.084 0.000 1.119 193 I CB 2.002 39.957 38.000 -0.074 0.000 1.289 193 I HN 0.636 nan 8.210 nan 0.000 0.438 194 Q N 5.345 125.086 119.800 -0.099 0.000 2.389 194 Q HA 0.892 5.232 4.340 -0.000 0.000 0.277 194 Q C -1.730 174.205 176.000 -0.107 0.000 1.082 194 Q CA -1.077 54.667 55.803 -0.099 0.000 0.810 194 Q CB 2.734 31.410 28.738 -0.105 0.000 1.374 194 Q HN 0.671 nan 8.270 nan 0.000 0.422 195 A N 1.463 124.218 122.820 -0.109 0.000 2.371 195 A HA 0.712 5.032 4.320 -0.000 0.000 0.311 195 A C -0.917 176.559 177.584 -0.180 0.000 1.068 195 A CA -0.782 51.180 52.037 -0.125 0.000 0.744 195 A CB 1.987 20.927 19.000 -0.099 0.000 1.239 195 A HN 0.629 nan 8.150 nan 0.000 0.435 196 S N 2.027 117.567 115.700 -0.267 0.000 2.420 196 S HA 0.435 4.905 4.470 -0.000 0.000 0.313 196 S C -0.449 173.737 174.600 -0.690 0.000 1.079 196 S CA -0.291 57.622 58.200 -0.478 0.000 1.104 196 S CB 0.394 63.233 63.200 -0.602 0.000 0.969 196 S HN 0.574 nan 8.310 nan 0.000 0.471 197 L N 4.418 125.353 121.223 -0.480 0.000 2.270 197 L HA 0.366 4.706 4.340 -0.000 0.000 0.286 197 L C 0.140 176.810 176.870 -0.333 0.000 1.059 197 L CA -0.392 54.247 54.840 -0.335 0.000 0.839 197 L CB 0.290 42.259 42.059 -0.150 0.000 1.221 197 L HN 0.729 nan 8.230 nan 0.000 0.431 198 F N 0.604 120.563 119.950 0.016 0.000 2.259 198 F HA -0.073 4.454 4.527 -0.000 0.000 0.298 198 F C 1.516 177.334 175.800 0.030 0.000 1.088 198 F CA 0.396 58.412 58.000 0.027 0.000 1.358 198 F CB 0.006 39.025 39.000 0.032 0.000 1.040 198 F HN 0.448 nan 8.300 nan 0.000 0.505 199 T N -2.450 112.207 114.554 0.172 0.000 2.883 199 T HA 0.754 5.104 4.350 -0.000 0.000 0.296 199 T C -0.528 174.208 174.700 0.061 0.000 1.117 199 T CA -1.030 61.136 62.100 0.111 0.000 1.006 199 T CB 1.632 70.566 68.868 0.110 0.000 1.191 199 T HN 0.096 nan 8.240 nan 0.000 0.508 200 A N 1.201 124.049 122.820 0.046 0.000 2.491 200 A HA 0.575 4.895 4.320 -0.000 0.000 0.261 200 A C 0.478 178.078 177.584 0.027 0.000 1.101 200 A CA -0.165 51.889 52.037 0.028 0.000 0.772 200 A CB -0.617 18.398 19.000 0.025 0.000 1.043 200 A HN 1.380 nan 8.150 nan 0.000 0.501 201 S N 1.991 117.702 115.700 0.018 0.000 2.545 201 S HA 0.227 4.697 4.470 -0.000 0.000 0.259 201 S C 0.035 174.638 174.600 0.006 0.000 1.092 201 S CA -0.644 57.566 58.200 0.016 0.000 1.054 201 S CB 0.563 63.778 63.200 0.024 0.000 1.146 201 S HN 0.668 nan 8.310 nan 0.000 0.447 202 D N 3.284 123.686 120.400 0.004 0.000 2.123 202 D HA -0.125 4.515 4.640 -0.000 0.000 0.196 202 D C 1.859 178.157 176.300 -0.003 0.000 0.992 202 D CA 0.960 54.959 54.000 -0.001 0.000 0.833 202 D CB 0.037 40.837 40.800 -0.000 0.000 0.954 202 D HN 0.639 nan 8.370 nan 0.000 0.455 203 R N 0.818 121.318 120.500 -0.001 0.000 2.070 203 R HA -0.140 4.200 4.340 -0.000 0.000 0.233 203 R C 2.031 178.328 176.300 -0.006 0.000 1.137 203 R CA 1.241 57.339 56.100 -0.003 0.000 0.945 203 R CB 0.132 30.431 30.300 -0.001 0.000 0.845 203 R HN 0.011 nan 8.270 nan 0.000 0.430 204 E N 0.549 120.748 120.200 -0.001 0.000 2.106 204 E HA -0.209 4.141 4.350 -0.000 0.000 0.192 204 E C 1.817 178.409 176.600 -0.014 0.000 0.984 204 E CA 1.047 57.445 56.400 -0.003 0.000 0.806 204 E CB -0.109 29.598 29.700 0.011 0.000 0.750 204 E HN 0.345 nan 8.360 nan 0.000 0.458 205 K N 1.002 121.393 120.400 -0.015 0.000 2.097 205 K HA -0.194 4.126 4.320 -0.000 0.000 0.206 205 K C 2.198 178.784 176.600 -0.022 0.000 1.049 205 K CA 1.421 57.694 56.287 -0.024 0.000 0.933 205 K CB 0.032 32.520 32.500 -0.020 0.000 0.717 205 K HN 0.008 nan 8.250 nan 0.000 0.442 206 Q N 0.338 120.128 119.800 -0.017 0.000 2.123 206 Q HA -0.148 4.192 4.340 -0.000 0.000 0.199 206 Q C 2.159 178.147 176.000 -0.020 0.000 0.966 206 Q CA 1.064 56.857 55.803 -0.017 0.000 0.845 206 Q CB 0.034 28.764 28.738 -0.014 0.000 0.907 206 Q HN 0.245 nan 8.270 nan 0.000 0.439 207 R N 0.006 120.492 120.500 -0.022 0.000 2.075 207 R HA -0.088 4.252 4.340 -0.000 0.000 0.232 207 R C 2.193 178.475 176.300 -0.029 0.000 1.126 207 R CA 1.152 57.235 56.100 -0.028 0.000 0.963 207 R CB -0.177 30.107 30.300 -0.027 0.000 0.858 207 R HN 0.316 nan 8.270 nan 0.000 0.435 208 L N 0.667 121.872 121.223 -0.030 0.000 2.093 208 L HA -0.152 4.188 4.340 -0.000 0.000 0.208 208 L C 2.085 178.938 176.870 -0.029 0.000 1.085 208 L CA 1.223 56.042 54.840 -0.035 0.000 0.755 208 L CB -0.528 41.502 42.059 -0.048 0.000 0.904 208 L HN 0.271 nan 8.230 nan 0.000 0.435 209 N N 0.173 118.857 118.700 -0.027 0.000 2.104 209 N HA -0.171 4.569 4.740 -0.000 0.000 0.190 209 N C 1.807 177.311 175.510 -0.010 0.000 1.024 209 N CA 1.560 54.598 53.050 -0.021 0.000 0.853 209 N CB -0.145 38.330 38.487 -0.020 0.000 1.008 209 N HN 0.303 nan 8.380 nan 0.000 0.424 210 A N 0.055 122.870 122.820 -0.008 0.000 1.969 210 A HA -0.066 4.254 4.320 -0.000 0.000 0.218 210 A C 2.154 179.758 177.584 0.033 0.000 1.169 210 A CA 1.255 53.296 52.037 0.007 0.000 0.635 210 A CB -0.404 18.590 19.000 -0.010 0.000 0.810 210 A HN 0.171 nan 8.150 nan 0.000 0.445 211 R N -0.469 120.040 120.500 0.014 0.000 2.073 211 R HA -0.047 4.293 4.340 -0.000 0.000 0.234 211 R C 1.736 178.077 176.300 0.068 0.000 1.134 211 R CA 1.428 57.551 56.100 0.038 0.000 0.952 211 R CB -0.911 29.385 30.300 -0.007 0.000 0.850 211 R HN 0.360 nan 8.270 nan 0.000 0.433 212 L N 0.307 121.540 121.223 0.017 0.000 2.017 212 L HA -0.029 4.311 4.340 -0.000 0.000 0.208 212 L C 2.336 179.205 176.870 -0.001 0.000 1.073 212 L CA 2.242 57.079 54.840 -0.006 0.000 0.745 212 L CB -1.205 40.838 42.059 -0.026 0.000 0.894 212 L HN 0.338 nan 8.230 nan 0.000 0.432 213 A N -1.591 121.238 122.820 0.013 0.000 1.883 213 A HA -0.319 4.001 4.320 -0.000 0.000 0.217 213 A C 2.339 179.931 177.584 0.013 0.000 1.186 213 A CA 1.938 53.980 52.037 0.007 0.000 0.624 213 A CB -1.159 17.851 19.000 0.017 0.000 0.822 213 A HN 0.525 nan 8.150 nan 0.000 0.444 214 Y N 0.598 120.867 120.300 -0.051 0.000 2.165 214 Y HA -0.179 4.371 4.550 -0.000 0.000 0.286 214 Y C 1.934 177.796 175.900 -0.063 0.000 1.155 214 Y CA 1.883 59.950 58.100 -0.055 0.000 1.164 214 Y CB -0.299 38.126 38.460 -0.058 0.000 0.978 214 Y HN 0.218 nan 8.280 nan 0.000 0.513 215 L N -0.962 120.191 121.223 -0.117 0.000 2.093 215 L HA -0.221 4.119 4.340 -0.000 0.000 0.208 215 L C 2.508 179.250 176.870 -0.213 0.000 1.085 215 L CA 1.391 56.112 54.840 -0.197 0.000 0.755 215 L CB -0.769 41.252 42.059 -0.064 0.000 0.904 215 L HN 0.162 nan 8.230 nan 0.000 0.435 216 S N -0.241 115.371 115.700 -0.146 0.000 2.359 216 S HA -0.269 4.201 4.470 -0.000 0.000 0.224 216 S C 1.889 176.397 174.600 -0.154 0.000 1.035 216 S CA 1.421 59.547 58.200 -0.123 0.000 1.018 216 S CB -0.317 62.834 63.200 -0.082 0.000 0.876 216 S HN 0.475 nan 8.310 nan 0.000 0.448 217 Q N 0.391 120.077 119.800 -0.190 0.000 2.234 217 Q HA -0.107 4.233 4.340 -0.000 0.000 0.206 217 Q C 2.262 178.118 176.000 -0.239 0.000 0.980 217 Q CA 0.851 56.537 55.803 -0.194 0.000 0.869 217 Q CB -0.113 28.508 28.738 -0.196 0.000 0.912 217 Q HN 0.454 nan 8.270 nan 0.000 0.436 218 Q N -0.047 119.556 119.800 -0.330 0.000 2.123 218 Q HA -0.053 4.287 4.340 -0.000 0.000 0.199 218 Q C 1.968 177.854 176.000 -0.190 0.000 0.966 218 Q CA 0.703 56.326 55.803 -0.300 0.000 0.845 218 Q CB 0.008 28.523 28.738 -0.372 0.000 0.907 218 Q HN 0.350 nan 8.270 nan 0.000 0.439 219 L N 0.646 121.769 121.223 -0.166 0.000 2.353 219 L HA -0.115 4.225 4.340 -0.000 0.000 0.220 219 L C 1.863 178.673 176.870 -0.101 0.000 1.133 219 L CA 1.364 56.130 54.840 -0.125 0.000 0.798 219 L CB -1.276 40.718 42.059 -0.108 0.000 0.922 219 L HN 0.216 nan 8.230 nan 0.000 0.445 220 T N -1.363 113.128 114.554 -0.103 0.000 2.818 220 T HA -0.005 4.345 4.350 -0.000 0.000 0.246 220 T C 0.816 175.471 174.700 -0.074 0.000 1.036 220 T CA -0.123 61.930 62.100 -0.078 0.000 1.160 220 T CB 0.041 68.864 68.868 -0.075 0.000 0.869 220 T HN 0.282 nan 8.240 nan 0.000 0.419 221 Q N 2.368 122.116 119.800 -0.086 0.000 2.326 221 Q HA 0.108 4.448 4.340 -0.000 0.000 0.314 221 Q C -2.435 173.525 176.000 -0.066 0.000 1.091 221 Q CA -0.720 55.039 55.803 -0.073 0.000 0.974 221 Q CB -0.618 28.069 28.738 -0.086 0.000 1.220 221 Q HN 0.262 nan 8.270 nan 0.000 0.398 222 P HA 0.061 nan 4.420 nan 0.000 0.270 222 P C -1.004 176.270 177.300 -0.043 0.000 1.223 222 P CA 0.027 63.103 63.100 -0.040 0.000 0.785 222 P CB 0.528 32.213 31.700 -0.025 0.000 0.923 223 A N 2.960 125.758 122.820 -0.037 0.000 2.331 223 A HA 0.535 4.855 4.320 -0.000 0.000 0.283 223 A C -1.894 175.689 177.584 -0.001 0.000 1.142 223 A CA -1.170 50.849 52.037 -0.030 0.000 0.812 223 A CB -0.748 18.231 19.000 -0.035 0.000 1.074 223 A HN 0.444 nan 8.150 nan 0.000 0.497 224 P HA 0.323 nan 4.420 nan 0.000 0.274 224 P C -2.635 174.709 177.300 0.075 0.000 1.237 224 P CA -0.999 62.130 63.100 0.050 0.000 0.793 224 P CB -0.060 31.673 31.700 0.056 0.000 0.977 225 P HA 0.141 nan 4.420 nan 0.000 0.272 225 P C -0.513 176.748 177.300 -0.066 0.000 1.223 225 P CA -0.280 62.821 63.100 0.002 0.000 0.784 225 P CB 0.450 32.156 31.700 0.011 0.000 0.923 226 L N 4.426 125.544 121.223 -0.175 0.000 2.410 226 L HA 0.253 4.593 4.340 -0.000 0.000 0.273 226 L C -1.465 175.277 176.870 -0.214 0.000 1.152 226 L CA -1.117 53.493 54.840 -0.383 0.000 0.855 226 L CB -0.796 41.057 42.059 -0.344 0.000 1.129 226 L HN 0.347 nan 8.230 nan 0.000 0.463 227 P HA 0.200 nan 4.420 nan 0.000 0.271 227 P C -1.103 176.158 177.300 -0.064 0.000 1.220 227 P CA -0.234 62.824 63.100 -0.071 0.000 0.768 227 P CB 1.146 32.842 31.700 -0.008 0.000 0.848 228 V N -0.079 119.809 119.914 -0.043 0.000 2.525 228 V HA 0.476 4.596 4.120 -0.000 0.000 0.299 228 V C -0.242 175.850 176.094 -0.004 0.000 1.034 228 V CA -0.468 61.804 62.300 -0.047 0.000 0.863 228 V CB 1.523 33.261 31.823 -0.142 0.000 0.999 228 V HN 0.427 nan 8.190 nan 0.000 0.423 229 T N 7.858 122.454 114.554 0.071 0.000 2.832 229 T HA 0.423 4.773 4.350 -0.000 0.000 0.313 229 T C -2.319 172.431 174.700 0.084 0.000 1.035 229 T CA -0.772 61.366 62.100 0.063 0.000 0.950 229 T CB 0.915 69.815 68.868 0.054 0.000 0.984 229 T HN 0.781 nan 8.240 nan 0.000 0.486 230 P HA 0.137 nan 4.420 nan 0.000 0.266 230 P C -0.678 176.649 177.300 0.044 0.000 1.195 230 P CA -0.194 62.931 63.100 0.042 0.000 0.768 230 P CB 0.831 32.575 31.700 0.073 0.000 0.838 231 V N 5.120 125.066 119.914 0.053 0.000 2.546 231 V HA 0.113 4.233 4.120 -0.000 0.000 0.260 231 V C -1.657 174.465 176.094 0.047 0.000 0.933 231 V CA -1.003 61.303 62.300 0.010 0.000 0.994 231 V CB 1.061 32.831 31.823 -0.087 0.000 1.160 231 V HN 0.380 nan 8.190 nan 0.000 0.523 232 P HA -0.163 nan 4.420 nan 0.000 0.216 232 P C 1.210 178.537 177.300 0.044 0.000 1.150 232 P CA 1.485 64.624 63.100 0.065 0.000 0.837 232 P CB 0.150 31.888 31.700 0.062 0.000 0.786 233 D N -1.350 119.068 120.400 0.030 0.000 2.338 233 D HA -0.068 4.572 4.640 -0.000 0.000 0.239 233 D C 0.617 176.929 176.300 0.020 0.000 1.095 233 D CA -0.092 53.922 54.000 0.022 0.000 0.888 233 D CB -0.843 39.967 40.800 0.016 0.000 0.899 233 D HN 0.200 nan 8.370 nan 0.000 0.525 234 M N 1.293 120.907 119.600 0.024 0.000 2.290 234 M HA -0.032 4.448 4.480 -0.000 0.000 0.356 234 M C -0.300 176.017 176.300 0.028 0.000 1.448 234 M CA 0.361 55.674 55.300 0.022 0.000 0.993 234 M CB 0.333 32.954 32.600 0.035 0.000 1.934 234 M HN -0.183 nan 8.290 nan 0.000 0.461 235 R N 4.519 125.034 120.500 0.024 0.000 2.575 235 R HA 0.417 4.757 4.340 -0.000 0.000 0.293 235 R C -1.656 174.666 176.300 0.036 0.000 0.983 235 R CA -0.478 55.639 56.100 0.028 0.000 0.887 235 R CB 1.577 31.890 30.300 0.021 0.000 1.184 235 R HN 0.897 nan 8.270 nan 0.000 0.445 236 C N 3.084 122.413 119.300 0.048 0.000 2.536 236 C HA 0.530 4.990 4.460 -0.000 0.000 0.396 236 C C -0.260 174.766 174.990 0.061 0.000 1.279 236 C CA -0.054 59.007 59.018 0.070 0.000 2.148 236 C CB -0.056 27.742 27.740 0.097 0.000 2.584 236 C HN 0.905 nan 8.230 nan 0.000 0.579 237 E N 3.599 123.832 120.200 0.055 0.000 2.256 237 E HA 0.498 4.848 4.350 -0.000 0.000 0.268 237 E C -1.405 175.166 176.600 -0.048 0.000 0.877 237 E CA -0.513 55.890 56.400 0.006 0.000 0.757 237 E CB 1.576 31.272 29.700 -0.007 0.000 1.183 237 E HN 0.865 nan 8.360 nan 0.000 0.418 238 C N 3.878 123.099 119.300 -0.130 0.000 2.391 238 C HA 0.376 4.836 4.460 -0.000 0.000 0.339 238 C C 1.352 176.192 174.990 -0.251 0.000 1.205 238 C CA -0.568 58.246 59.018 -0.340 0.000 1.937 238 C CB 0.526 27.983 27.740 -0.471 0.000 2.341 238 C HN 0.944 nan 8.230 nan 0.000 0.516 239 N N 2.463 120.987 118.700 -0.293 0.000 2.398 239 N HA -0.007 4.733 4.740 -0.000 0.000 0.188 239 N C -0.082 175.333 175.510 -0.158 0.000 1.122 239 N CA 0.426 53.365 53.050 -0.184 0.000 0.866 239 N CB 0.247 38.634 38.487 -0.167 0.000 0.970 239 N HN 0.853 nan 8.380 nan 0.000 0.462 240 Q N 0.605 120.284 119.800 -0.201 0.000 2.403 240 Q HA 0.198 4.538 4.340 -0.000 0.000 0.267 240 Q C -1.287 174.641 176.000 -0.119 0.000 0.991 240 Q CA -0.581 55.149 55.803 -0.123 0.000 0.906 240 Q CB 1.642 30.330 28.738 -0.084 0.000 1.422 240 Q HN 0.249 nan 8.270 nan 0.000 0.400 241 S N 1.951 117.622 115.700 -0.049 0.000 2.593 241 S HA 0.133 4.603 4.470 -0.000 0.000 0.269 241 S C 0.321 174.939 174.600 0.030 0.000 1.334 241 S CA -0.054 58.133 58.200 -0.021 0.000 1.015 241 S CB 0.746 63.945 63.200 -0.002 0.000 0.912 241 S HN 0.671 nan 8.310 nan 0.000 0.541 242 D N 0.908 121.335 120.400 0.044 0.000 2.149 242 D HA -0.106 4.534 4.640 -0.000 0.000 0.198 242 D C 1.330 177.711 176.300 0.134 0.000 0.990 242 D CA 1.401 55.466 54.000 0.108 0.000 0.839 242 D CB -0.327 40.526 40.800 0.087 0.000 0.948 242 D HN 0.634 nan 8.370 nan 0.000 0.460 243 D N 0.311 120.758 120.400 0.078 0.000 2.117 243 D HA -0.075 4.565 4.640 -0.000 0.000 0.198 243 D C 2.025 178.357 176.300 0.054 0.000 0.982 243 D CA 1.151 55.184 54.000 0.057 0.000 0.828 243 D CB -0.037 40.782 40.800 0.032 0.000 0.967 243 D HN 0.156 nan 8.370 nan 0.000 0.464 244 A N 0.783 123.640 122.820 0.061 0.000 1.930 244 A HA -0.167 4.153 4.320 -0.000 0.000 0.217 244 A C 2.011 179.646 177.584 0.085 0.000 1.175 244 A CA 0.832 52.900 52.037 0.052 0.000 0.627 244 A CB -0.844 18.180 19.000 0.040 0.000 0.815 244 A HN 0.197 nan 8.150 nan 0.000 0.443 245 F N 1.235 121.169 119.950 -0.026 0.000 2.113 245 F HA 0.006 4.533 4.527 -0.000 0.000 0.297 245 F C 2.327 178.123 175.800 -0.006 0.000 1.103 245 F CA 1.339 59.327 58.000 -0.020 0.000 1.248 245 F CB -0.822 38.167 39.000 -0.018 0.000 0.999 245 F HN 0.200 nan 8.300 nan 0.000 0.475 246 G N -0.308 108.485 108.800 -0.012 0.000 2.450 246 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.220 246 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.220 246 G C 1.807 176.625 174.900 -0.137 0.000 1.130 246 G CA 0.882 45.922 45.100 -0.099 0.000 0.760 246 G HN 0.618 nan 8.290 nan 0.000 0.557 247 A N 0.100 122.867 122.820 -0.090 0.000 1.898 247 A HA 0.130 4.450 4.320 -0.000 0.000 0.216 247 A C 2.583 180.097 177.584 -0.116 0.000 1.181 247 A CA 1.645 53.635 52.037 -0.077 0.000 0.620 247 A CB -0.550 18.426 19.000 -0.039 0.000 0.819 247 A HN 0.249 nan 8.150 nan 0.000 0.442 248 V N -0.072 119.746 119.914 -0.160 0.000 2.392 248 V HA -0.240 3.880 4.120 -0.000 0.000 0.249 248 V C 2.565 178.521 176.094 -0.230 0.000 1.059 248 V CA 2.008 64.202 62.300 -0.176 0.000 1.051 248 V CB -0.796 30.916 31.823 -0.185 0.000 0.658 248 V HN 0.387 nan 8.190 nan 0.000 0.455 249 V N 0.064 119.770 119.914 -0.347 0.000 2.307 249 V HA -0.255 3.865 4.120 -0.000 0.000 0.245 249 V C 2.558 178.561 176.094 -0.152 0.000 1.045 249 V CA 2.106 64.232 62.300 -0.289 0.000 1.024 249 V CB -0.844 30.777 31.823 -0.337 0.000 0.651 249 V HN 0.479 nan 8.190 nan 0.000 0.449 250 R N 0.044 120.470 120.500 -0.124 0.000 2.094 250 R HA -0.272 4.068 4.340 -0.000 0.000 0.239 250 R C 2.447 178.709 176.300 -0.063 0.000 1.137 250 R CA 2.110 58.165 56.100 -0.075 0.000 0.943 250 R CB -0.517 29.748 30.300 -0.058 0.000 0.850 250 R HN 0.580 nan 8.270 nan 0.000 0.433 251 Q N 0.947 120.706 119.800 -0.069 0.000 2.135 251 Q HA -0.139 4.201 4.340 -0.000 0.000 0.204 251 Q C 2.075 178.043 176.000 -0.053 0.000 0.981 251 Q CA 1.285 57.056 55.803 -0.054 0.000 0.856 251 Q CB -0.004 28.703 28.738 -0.052 0.000 0.902 251 Q HN 0.370 nan 8.270 nan 0.000 0.425 252 L N 0.044 121.227 121.223 -0.067 0.000 2.093 252 L HA -0.185 4.155 4.340 -0.000 0.000 0.208 252 L C 2.457 179.300 176.870 -0.045 0.000 1.085 252 L CA 1.149 55.955 54.840 -0.057 0.000 0.755 252 L CB -0.285 41.734 42.059 -0.067 0.000 0.904 252 L HN 0.318 nan 8.230 nan 0.000 0.435 253 Q N -0.308 119.465 119.800 -0.045 0.000 2.226 253 Q HA -0.213 4.127 4.340 -0.000 0.000 0.204 253 Q C 2.014 178.001 176.000 -0.023 0.000 0.975 253 Q CA 1.038 56.825 55.803 -0.028 0.000 0.866 253 Q CB 0.046 28.768 28.738 -0.026 0.000 0.915 253 Q HN 0.221 nan 8.270 nan 0.000 0.440 254 K N 0.630 121.013 120.400 -0.028 0.000 2.148 254 K HA -0.046 4.274 4.320 -0.000 0.000 0.204 254 K C 1.775 178.360 176.600 -0.026 0.000 1.050 254 K CA 1.161 57.433 56.287 -0.024 0.000 0.942 254 K CB -0.357 32.128 32.500 -0.025 0.000 0.724 254 K HN 0.199 nan 8.250 nan 0.000 0.446 255 A N 0.327 123.127 122.820 -0.034 0.000 1.968 255 A HA -0.049 4.271 4.320 -0.000 0.000 0.217 255 A C 2.115 179.669 177.584 -0.050 0.000 1.169 255 A CA 1.049 53.059 52.037 -0.044 0.000 0.638 255 A CB -0.492 18.477 19.000 -0.051 0.000 0.812 255 A HN 0.197 nan 8.150 nan 0.000 0.446 256 I N -1.196 119.352 120.570 -0.036 0.000 2.233 256 I HA -0.205 3.965 4.170 -0.000 0.000 0.243 256 I C 2.741 178.858 176.117 -0.000 0.000 1.093 256 I CA 1.090 62.377 61.300 -0.022 0.000 1.380 256 I CB -0.325 37.677 38.000 0.004 0.000 1.067 256 I HN 0.259 nan 8.210 nan 0.000 0.413 257 R N 0.733 121.234 120.500 0.001 0.000 2.105 257 R HA -0.129 4.211 4.340 -0.000 0.000 0.239 257 R C 2.212 178.515 176.300 0.004 0.000 1.135 257 R CA 1.438 57.543 56.100 0.009 0.000 0.967 257 R CB -0.326 29.976 30.300 0.003 0.000 0.861 257 R HN 0.351 nan 8.270 nan 0.000 0.442 258 A N 0.012 122.826 122.820 -0.010 0.000 2.209 258 A HA 0.089 4.409 4.320 -0.000 0.000 0.212 258 A C 1.287 178.860 177.584 -0.018 0.000 1.158 258 A CA 0.914 52.942 52.037 -0.015 0.000 0.742 258 A CB -0.306 18.679 19.000 -0.024 0.000 0.790 258 A HN 0.483 nan 8.150 nan 0.000 0.472 259 G N -0.567 108.222 108.800 -0.018 0.000 2.198 259 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.257 259 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.257 259 G C 0.382 175.218 174.900 -0.107 0.000 1.042 259 G CA 0.637 45.724 45.100 -0.023 0.000 0.791 259 G HN 0.653 nan 8.290 nan 0.000 0.502 260 E N -0.866 119.249 120.200 -0.142 0.000 2.276 260 E HA 0.277 4.627 4.350 -0.000 0.000 0.193 260 E C 1.460 177.868 176.600 -0.320 0.000 0.983 260 E CA 1.087 57.379 56.400 -0.179 0.000 0.861 260 E CB 0.366 29.997 29.700 -0.117 0.000 0.817 260 E HN 0.893 nan 8.360 nan 0.000 0.485 261 I N -4.270 116.077 120.570 -0.371 0.000 3.102 261 I HA 0.325 4.495 4.170 -0.000 0.000 0.310 261 I C -0.325 175.503 176.117 -0.482 0.000 1.246 261 I CA -0.905 60.092 61.300 -0.506 0.000 0.979 261 I CB 1.290 39.154 38.000 -0.227 0.000 1.267 261 I HN -0.239 nan 8.210 nan 0.000 0.451 262 F N 0.580 120.532 119.950 0.003 0.000 2.500 262 F HA 0.256 4.783 4.527 0.000 0.000 0.285 262 F C 0.801 176.607 175.800 0.011 0.000 1.088 262 F CA -0.137 57.866 58.000 0.005 0.000 1.432 262 F CB 0.459 39.461 39.000 0.003 0.000 1.131 262 F HN 0.625 nan 8.300 nan 0.000 0.582 263 Q N -0.121 119.767 119.800 0.146 0.000 2.472 263 Q HA 0.633 4.973 4.340 -0.000 0.000 0.281 263 Q C -1.972 174.063 176.000 0.059 0.000 0.997 263 Q CA -0.874 54.989 55.803 0.099 0.000 0.828 263 Q CB 3.023 31.831 28.738 0.118 0.000 1.443 263 Q HN -0.063 nan 8.270 nan 0.000 0.390 264 V N 1.208 121.154 119.914 0.053 0.000 3.087 264 V HA 0.637 4.757 4.120 -0.000 0.000 0.306 264 V C -1.747 174.390 176.094 0.073 0.000 1.187 264 V CA -0.546 61.784 62.300 0.051 0.000 0.999 264 V CB 2.609 34.446 31.823 0.023 0.000 1.049 264 V HN 0.742 nan 8.190 nan 0.000 0.431 265 V N 7.000 126.970 119.914 0.092 0.000 2.266 265 V HA 0.420 4.540 4.120 -0.000 0.000 0.266 265 V C -2.247 173.938 176.094 0.152 0.000 1.036 265 V CA -1.202 61.174 62.300 0.127 0.000 0.828 265 V CB 0.953 32.854 31.823 0.130 0.000 1.081 265 V HN 0.825 nan 8.190 nan 0.000 0.449 266 P HA 0.364 nan 4.420 nan 0.000 0.274 266 P C -0.329 177.141 177.300 0.283 0.000 1.237 266 P CA 0.101 63.316 63.100 0.192 0.000 0.793 266 P CB 1.722 33.510 31.700 0.147 0.000 0.977 267 S N 1.027 116.846 115.700 0.198 0.000 2.595 267 S HA 0.726 5.196 4.470 -0.000 0.000 0.281 267 S C -0.482 174.080 174.600 -0.064 0.000 1.117 267 S CA -0.940 57.286 58.200 0.043 0.000 0.873 267 S CB 2.179 65.308 63.200 -0.120 0.000 1.108 267 S HN 0.399 nan 8.310 nan 0.000 0.477 268 R N 0.018 120.383 120.500 -0.224 0.000 2.902 268 R HA 0.679 5.019 4.340 -0.000 0.000 0.258 268 R C -0.751 175.379 176.300 -0.283 0.000 1.071 268 R CA -1.020 54.897 56.100 -0.305 0.000 1.024 268 R CB 1.475 31.464 30.300 -0.518 0.000 1.184 268 R HN 0.609 nan 8.270 nan 0.000 0.492 269 R N 1.043 121.328 120.500 -0.358 0.000 2.480 269 R HA 0.398 4.738 4.340 -0.000 0.000 0.306 269 R C -1.257 174.821 176.300 -0.371 0.000 0.958 269 R CA -0.499 55.452 56.100 -0.249 0.000 0.861 269 R CB 1.254 31.445 30.300 -0.183 0.000 1.171 269 R HN 0.313 nan 8.270 nan 0.000 0.445 270 F N 0.903 120.777 119.950 -0.127 0.000 2.469 270 F HA 0.471 4.998 4.527 -0.000 0.000 0.332 270 F C 0.448 176.208 175.800 -0.067 0.000 1.103 270 F CA -0.617 57.329 58.000 -0.089 0.000 0.979 270 F CB 2.201 41.150 39.000 -0.085 0.000 1.137 270 F HN 0.443 nan 8.300 nan 0.000 0.463 271 S N 3.613 119.374 115.700 0.102 0.000 2.549 271 S HA 0.969 5.439 4.470 -0.000 0.000 0.280 271 S C -1.361 173.275 174.600 0.061 0.000 1.109 271 S CA -0.751 57.486 58.200 0.060 0.000 0.905 271 S CB 2.250 65.459 63.200 0.015 0.000 1.081 271 S HN 0.676 nan 8.310 nan 0.000 0.477 272 L N -2.397 118.859 121.223 0.054 0.000 2.710 272 L HA 0.787 5.127 4.340 -0.000 0.000 0.260 272 L C -3.196 173.694 176.870 0.033 0.000 0.993 272 L CA -1.998 52.869 54.840 0.045 0.000 0.877 272 L CB 0.195 42.291 42.059 0.061 0.000 1.461 272 L HN 0.459 nan 8.230 nan 0.000 0.413 273 P HA 0.088 nan 4.420 nan 0.000 0.268 273 P C -0.664 176.591 177.300 -0.074 0.000 1.205 273 P CA 0.045 63.123 63.100 -0.036 0.000 0.771 273 P CB 1.182 32.841 31.700 -0.068 0.000 0.858 274 C N 5.653 124.927 119.300 -0.044 0.000 3.498 274 C HA 0.328 4.787 4.460 -0.000 0.000 0.218 274 C C -1.443 173.581 174.990 0.057 0.000 1.284 274 C CA -1.681 57.357 59.018 0.034 0.000 1.343 274 C CB -0.456 27.426 27.740 0.237 0.000 1.825 274 C HN 0.401 nan 8.230 nan 0.000 0.518 275 P HA -0.064 nan 4.420 nan 0.000 0.216 275 P C 0.528 177.940 177.300 0.187 0.000 1.150 275 P CA 1.344 64.463 63.100 0.031 0.000 0.837 275 P CB 0.264 31.932 31.700 -0.053 0.000 0.786 276 S N -1.551 114.387 115.700 0.397 0.000 2.269 276 S HA 0.346 4.816 4.470 -0.000 0.000 0.194 276 S C -1.984 172.752 174.600 0.228 0.000 1.547 276 S CA -1.823 56.535 58.200 0.264 0.000 1.186 276 S CB -0.065 63.230 63.200 0.159 0.000 1.069 276 S HN -0.146 nan 8.310 nan 0.000 0.473 277 P HA -0.122 nan 4.420 nan 0.000 0.216 277 P C 1.485 178.856 177.300 0.119 0.000 1.153 277 P CA 0.521 63.811 63.100 0.317 0.000 0.858 277 P CB 0.165 32.143 31.700 0.463 0.000 0.789 278 L N -0.551 120.748 121.223 0.127 0.000 2.083 278 L HA -0.088 4.252 4.340 -0.000 0.000 0.209 278 L C 2.228 178.994 176.870 -0.173 0.000 1.083 278 L CA 1.913 56.614 54.840 -0.231 0.000 0.752 278 L CB -1.436 40.379 42.059 -0.408 0.000 0.899 278 L HN -0.120 nan 8.230 nan 0.000 0.433 279 A N -0.847 121.892 122.820 -0.136 0.000 1.930 279 A HA -0.046 4.274 4.320 -0.000 0.000 0.217 279 A C 2.418 179.915 177.584 -0.145 0.000 1.175 279 A CA 1.500 53.464 52.037 -0.122 0.000 0.627 279 A CB -0.942 17.953 19.000 -0.174 0.000 0.815 279 A HN 0.517 nan 8.150 nan 0.000 0.443 280 A N -1.398 121.299 122.820 -0.205 0.000 1.930 280 A HA -0.066 4.254 4.320 -0.000 0.000 0.217 280 A C 2.113 179.521 177.584 -0.293 0.000 1.175 280 A CA 1.531 53.449 52.037 -0.200 0.000 0.627 280 A CB -0.781 18.198 19.000 -0.035 0.000 0.815 280 A HN 0.753 nan 8.150 nan 0.000 0.443 281 Y N -1.301 118.589 120.300 -0.684 0.000 2.224 281 Y HA -0.262 4.288 4.550 -0.000 0.000 0.289 281 Y C 2.123 177.914 175.900 -0.181 0.000 1.146 281 Y CA 1.797 59.535 58.100 -0.604 0.000 1.182 281 Y CB -0.557 37.573 38.460 -0.549 0.000 0.983 281 Y HN 0.458 nan 8.280 nan 0.000 0.524 282 Y N -0.737 119.355 120.300 -0.346 0.000 2.181 282 Y HA -0.246 4.304 4.550 -0.000 0.000 0.288 282 Y C 2.301 178.021 175.900 -0.301 0.000 1.146 282 Y CA 1.243 59.141 58.100 -0.336 0.000 1.164 282 Y CB -0.043 38.295 38.460 -0.204 0.000 0.982 282 Y HN 0.022 nan 8.280 nan 0.000 0.515 283 V N 0.180 119.977 119.914 -0.194 0.000 2.343 283 V HA -0.328 3.792 4.120 -0.000 0.000 0.247 283 V C 2.236 178.200 176.094 -0.217 0.000 1.051 283 V CA 1.688 63.848 62.300 -0.234 0.000 1.036 283 V CB -0.789 30.939 31.823 -0.158 0.000 0.654 283 V HN 0.412 nan 8.190 nan 0.000 0.451 284 L N 0.536 121.645 121.223 -0.191 0.000 2.042 284 L HA -0.204 4.136 4.340 -0.000 0.000 0.210 284 L C 2.476 179.215 176.870 -0.219 0.000 1.076 284 L CA 2.292 57.039 54.840 -0.155 0.000 0.749 284 L CB -0.746 41.274 42.059 -0.064 0.000 0.893 284 L HN 0.298 nan 8.230 nan 0.000 0.432 285 K N -0.443 119.753 120.400 -0.340 0.000 2.026 285 K HA -0.244 4.076 4.320 -0.000 0.000 0.208 285 K C 2.164 178.650 176.600 -0.191 0.000 1.048 285 K CA 1.860 57.969 56.287 -0.296 0.000 0.929 285 K CB -0.086 32.198 32.500 -0.360 0.000 0.713 285 K HN 0.301 nan 8.250 nan 0.000 0.439 286 K N -0.113 120.145 120.400 -0.236 0.000 2.155 286 K HA -0.063 4.257 4.320 -0.000 0.000 0.203 286 K C 2.212 178.694 176.600 -0.196 0.000 1.052 286 K CA 1.321 57.481 56.287 -0.212 0.000 0.948 286 K CB 0.019 32.332 32.500 -0.311 0.000 0.728 286 K HN 0.086 nan 8.250 nan 0.000 0.448 287 S N 0.255 115.827 115.700 -0.213 0.000 2.441 287 S HA 0.066 4.536 4.470 -0.000 0.000 0.224 287 S C 0.489 174.933 174.600 -0.260 0.000 1.043 287 S CA 0.231 58.284 58.200 -0.245 0.000 0.948 287 S CB 0.238 63.324 63.200 -0.189 0.000 0.810 287 S HN 0.182 nan 8.310 nan 0.000 0.504 288 N N 2.353 120.955 118.700 -0.164 0.000 2.703 288 N HA 0.295 5.035 4.740 -0.000 0.000 0.283 288 N C -3.061 172.420 175.510 -0.048 0.000 1.851 288 N CA -0.794 52.196 53.050 -0.100 0.000 0.826 288 N CB 1.761 40.206 38.487 -0.071 0.000 1.239 288 N HN 0.443 nan 8.380 nan 0.000 0.495 289 P HA 0.095 nan 4.420 nan 0.000 0.271 289 P C -0.184 177.131 177.300 0.025 0.000 1.218 289 P CA 0.220 63.326 63.100 0.010 0.000 0.780 289 P CB 1.239 32.973 31.700 0.057 0.000 0.901 290 S N 1.281 116.985 115.700 0.007 0.000 2.596 290 S HA 0.512 4.982 4.470 -0.000 0.000 0.270 290 S C -2.514 172.101 174.600 0.025 0.000 1.155 290 S CA -1.219 56.972 58.200 -0.014 0.000 0.827 290 S CB 1.761 64.959 63.200 -0.004 0.000 1.130 290 S HN 0.271 nan 8.310 nan 0.000 0.467 291 P HA 0.118 nan 4.420 nan 0.000 0.245 291 P C -0.641 176.574 177.300 -0.141 0.000 1.212 291 P CA 0.668 63.771 63.100 0.005 0.000 0.774 291 P CB -0.307 31.454 31.700 0.101 0.000 0.999 292 Y N 0.175 120.528 120.300 0.087 0.000 2.748 292 Y HA 0.406 4.956 4.550 -0.000 0.000 0.359 292 Y C 0.766 176.809 175.900 0.239 0.000 1.030 292 Y CA -0.473 57.729 58.100 0.171 0.000 1.169 292 Y CB 0.398 38.948 38.460 0.150 0.000 1.127 292 Y HN -0.201 nan 8.280 nan 0.000 0.644 293 M N 2.513 122.278 119.600 0.275 0.000 2.598 293 M HA 0.657 5.137 4.480 -0.000 0.000 0.317 293 M C -1.094 175.434 176.300 0.379 0.000 1.201 293 M CA -0.881 54.565 55.300 0.243 0.000 0.971 293 M CB 1.988 34.709 32.600 0.202 0.000 1.657 293 M HN 0.374 nan 8.290 nan 0.000 0.470 294 F N -0.157 119.989 119.950 0.326 0.000 2.641 294 F HA 0.754 5.281 4.527 -0.000 0.000 0.308 294 F C -1.896 173.939 175.800 0.058 0.000 1.105 294 F CA -1.313 56.787 58.000 0.168 0.000 0.964 294 F CB 1.155 40.243 39.000 0.148 0.000 1.294 294 F HN 0.439 nan 8.300 nan 0.000 0.442 295 F N 4.427 124.299 119.950 -0.130 0.000 2.671 295 F HA 0.599 5.126 4.527 -0.000 0.000 0.332 295 F C -1.466 174.251 175.800 -0.137 0.000 1.189 295 F CA -0.820 56.973 58.000 -0.345 0.000 0.988 295 F CB 1.744 40.130 39.000 -1.024 0.000 1.258 295 F HN 0.759 nan 8.300 nan 0.000 0.471 296 M N 6.252 125.700 119.600 -0.254 0.000 2.167 296 M HA 0.379 4.859 4.480 -0.000 0.000 0.333 296 M C -1.243 174.928 176.300 -0.214 0.000 1.030 296 M CA -0.481 54.776 55.300 -0.073 0.000 0.963 296 M CB 1.363 33.988 32.600 0.041 0.000 1.589 296 M HN 0.736 nan 8.290 nan 0.000 0.431 297 Q N 3.909 123.700 119.800 -0.014 0.000 2.506 297 Q HA 0.256 4.596 4.340 -0.000 0.000 0.242 297 Q C -1.492 174.469 176.000 -0.066 0.000 1.060 297 Q CA -0.397 55.399 55.803 -0.012 0.000 0.826 297 Q CB 0.958 29.867 28.738 0.286 0.000 1.169 297 Q HN 0.755 nan 8.270 nan 0.000 0.521 298 D N 1.230 121.463 120.400 -0.279 0.000 2.387 298 D HA 0.183 4.823 4.640 -0.000 0.000 0.255 298 D C 0.536 176.697 176.300 -0.230 0.000 1.081 298 D CA -0.382 53.426 54.000 -0.321 0.000 0.994 298 D CB 1.245 41.510 40.800 -0.890 0.000 1.127 298 D HN 0.469 nan 8.370 nan 0.000 0.513 299 N N -0.082 118.540 118.700 -0.130 0.000 2.166 299 N HA -0.089 4.651 4.740 -0.000 0.000 0.186 299 N C 0.193 175.688 175.510 -0.024 0.000 1.019 299 N CA 1.094 54.114 53.050 -0.050 0.000 0.856 299 N CB 0.117 38.603 38.487 -0.000 0.000 0.993 299 N HN 0.378 nan 8.380 nan 0.000 0.426 300 D N -1.083 119.303 120.400 -0.022 0.000 2.369 300 D HA 0.147 4.787 4.640 -0.000 0.000 0.211 300 D C -0.265 176.191 176.300 0.261 0.000 1.077 300 D CA 0.203 54.285 54.000 0.136 0.000 0.842 300 D CB 0.378 41.334 40.800 0.260 0.000 0.947 300 D HN 0.297 nan 8.370 nan 0.000 0.509 301 F N -2.245 117.739 119.950 0.055 0.000 2.799 301 F HA 0.483 5.010 4.527 -0.000 0.000 0.316 301 F C -1.384 174.432 175.800 0.026 0.000 1.155 301 F CA -1.117 56.907 58.000 0.040 0.000 0.916 301 F CB 0.947 39.965 39.000 0.030 0.000 1.294 301 F HN -0.438 nan 8.300 nan 0.000 0.447 302 T N 2.823 117.501 114.554 0.207 0.000 2.848 302 T HA 0.672 5.022 4.350 -0.000 0.000 0.285 302 T C -1.768 173.020 174.700 0.147 0.000 0.995 302 T CA -0.434 61.685 62.100 0.033 0.000 0.970 302 T CB 1.518 70.385 68.868 -0.003 0.000 0.976 302 T HN 0.807 nan 8.240 nan 0.000 0.441 303 L N 5.513 126.783 121.223 0.079 0.000 2.362 303 L HA 0.895 5.235 4.340 -0.000 0.000 0.275 303 L C -1.561 175.371 176.870 0.105 0.000 0.998 303 L CA -0.721 54.198 54.840 0.132 0.000 0.820 303 L CB 0.890 43.119 42.059 0.282 0.000 1.270 303 L HN 0.655 nan 8.230 nan 0.000 0.415 304 F N 2.647 122.622 119.950 0.041 0.000 2.613 304 F HA 1.031 5.558 4.527 -0.000 0.000 0.310 304 F C -0.199 175.489 175.800 -0.186 0.000 1.085 304 F CA -0.202 57.759 58.000 -0.065 0.000 0.945 304 F CB 1.489 40.502 39.000 0.022 0.000 1.298 304 F HN 0.769 nan 8.300 nan 0.000 0.455 305 G N 0.177 108.680 108.800 -0.495 0.000 2.340 305 G HA2 0.741 4.701 3.960 -0.000 0.000 0.299 305 G HA3 0.741 4.701 3.960 -0.000 0.000 0.299 305 G C -2.427 172.086 174.900 -0.645 0.000 1.291 305 G CA -0.429 44.332 45.100 -0.564 0.000 0.841 305 G HN 1.599 nan 8.290 nan 0.000 0.500 306 A N -0.400 122.277 122.820 -0.238 0.000 2.437 306 A HA 0.839 5.159 4.320 -0.000 0.000 0.293 306 A C -0.421 177.227 177.584 0.106 0.000 1.038 306 A CA -0.191 51.824 52.037 -0.037 0.000 0.708 306 A CB 1.529 20.521 19.000 -0.014 0.000 1.251 306 A HN 1.324 nan 8.150 nan 0.000 0.409 307 S N 3.440 119.270 115.700 0.216 0.000 2.537 307 S HA 0.654 5.124 4.470 -0.000 0.000 0.301 307 S C -1.784 172.858 174.600 0.070 0.000 1.092 307 S CA -1.199 57.098 58.200 0.161 0.000 1.048 307 S CB 1.761 65.088 63.200 0.213 0.000 1.053 307 S HN 0.670 nan 8.310 nan 0.000 0.501 308 P HA 0.015 nan 4.420 nan 0.000 0.221 308 P C 0.173 177.365 177.300 -0.180 0.000 1.150 308 P CA 1.231 64.216 63.100 -0.192 0.000 0.800 308 P CB 0.337 31.745 31.700 -0.486 0.000 0.787 309 E N -1.533 118.543 120.200 -0.206 0.000 2.435 309 E HA 0.363 4.713 4.350 -0.000 0.000 0.277 309 E C -1.269 174.868 176.600 -0.771 0.000 1.106 309 E CA -0.792 55.403 56.400 -0.341 0.000 0.868 309 E CB 0.730 30.265 29.700 -0.275 0.000 1.454 309 E HN -0.228 nan 8.360 nan 0.000 0.452 310 S N -0.271 114.764 115.700 -1.109 0.000 2.572 310 S HA 0.281 4.750 4.470 -0.000 0.000 0.279 310 S C 0.760 175.112 174.600 -0.413 0.000 1.341 310 S CA 0.563 58.178 58.200 -0.975 0.000 1.043 310 S CB 0.339 63.138 63.200 -0.668 0.000 0.887 310 S HN 0.599 nan 8.310 nan 0.000 0.516 311 S N 3.696 119.289 115.700 -0.180 0.000 2.506 311 S HA 0.281 4.751 4.470 -0.000 0.000 0.230 311 S C -0.007 174.655 174.600 0.102 0.000 1.066 311 S CA -0.304 57.895 58.200 -0.003 0.000 0.940 311 S CB -0.248 62.948 63.200 -0.007 0.000 0.818 311 S HN 0.637 nan 8.310 nan 0.000 0.518 312 L N 1.288 122.565 121.223 0.090 0.000 2.470 312 L HA 0.670 5.010 4.340 -0.000 0.000 0.268 312 L C -1.264 175.684 176.870 0.131 0.000 0.964 312 L CA -0.381 54.524 54.840 0.108 0.000 0.839 312 L CB 2.155 44.254 42.059 0.066 0.000 1.276 312 L HN 0.224 nan 8.230 nan 0.000 0.403 313 K N 3.892 124.398 120.400 0.176 0.000 2.468 313 K HA 0.473 4.793 4.320 -0.000 0.000 0.252 313 K C -2.293 174.435 176.600 0.213 0.000 0.932 313 K CA -0.681 55.718 56.287 0.186 0.000 0.794 313 K CB 1.961 34.608 32.500 0.244 0.000 1.241 313 K HN 0.610 nan 8.250 nan 0.000 0.428 314 Y N 2.124 122.450 120.300 0.043 0.000 2.406 314 Y HA 0.326 4.876 4.550 -0.000 0.000 0.340 314 Y C -1.640 174.293 175.900 0.055 0.000 0.975 314 Y CA -1.081 57.036 58.100 0.028 0.000 1.056 314 Y CB 1.806 40.260 38.460 -0.009 0.000 1.210 314 Y HN 0.717 nan 8.280 nan 0.000 0.448 315 D N 4.396 124.433 120.400 -0.606 0.000 2.392 315 D HA 0.509 5.149 4.640 -0.000 0.000 0.228 315 D C 0.492 176.271 176.300 -0.868 0.000 1.074 315 D CA 0.209 53.920 54.000 -0.482 0.000 0.838 315 D CB 1.635 42.322 40.800 -0.187 0.000 1.067 315 D HN 0.723 nan 8.370 nan 0.000 0.511 316 A N 3.808 126.220 122.820 -0.681 0.000 1.972 316 A HA 0.008 4.328 4.320 -0.000 0.000 0.219 316 A C 2.144 179.581 177.584 -0.246 0.000 1.169 316 A CA 1.646 53.389 52.037 -0.490 0.000 0.635 316 A CB -0.688 18.124 19.000 -0.314 0.000 0.810 316 A HN 0.662 nan 8.150 nan 0.000 0.446 317 A N 0.305 123.047 122.820 -0.130 0.000 1.865 317 A HA -0.119 4.201 4.320 -0.000 0.000 0.217 317 A C 2.462 180.028 177.584 -0.029 0.000 1.191 317 A CA 2.499 54.526 52.037 -0.015 0.000 0.623 317 A CB -0.858 18.181 19.000 0.065 0.000 0.826 317 A HN 1.059 nan 8.150 nan 0.000 0.444 318 S N -2.632 113.033 115.700 -0.059 0.000 2.524 318 S HA 0.173 4.643 4.470 -0.000 0.000 0.216 318 S C 0.901 175.486 174.600 -0.024 0.000 0.987 318 S CA 0.519 58.703 58.200 -0.027 0.000 0.909 318 S CB -0.079 63.113 63.200 -0.014 0.000 0.781 318 S HN 0.519 nan 8.310 nan 0.000 0.521 319 R N 0.250 120.693 120.500 -0.095 0.000 3.951 319 R HA -0.163 4.177 4.340 -0.000 0.000 0.352 319 R C -0.165 176.216 176.300 0.135 0.000 1.178 319 R CA 0.949 57.079 56.100 0.050 0.000 0.949 319 R CB -2.116 28.271 30.300 0.145 0.000 1.452 319 R HN 0.736 nan 8.270 nan 0.000 0.540 320 Q N 1.315 121.111 119.800 -0.008 0.000 2.294 320 Q HA 0.488 4.828 4.340 -0.000 0.000 0.257 320 Q C -0.505 175.565 176.000 0.116 0.000 0.955 320 Q CA -0.163 55.670 55.803 0.050 0.000 0.936 320 Q CB 0.877 29.622 28.738 0.011 0.000 1.188 320 Q HN 0.336 nan 8.270 nan 0.000 0.420 321 I N 3.456 124.124 120.570 0.164 0.000 2.460 321 I HA 0.376 4.546 4.170 -0.000 0.000 0.298 321 I C -1.089 175.037 176.117 0.016 0.000 0.989 321 I CA -0.407 60.998 61.300 0.176 0.000 1.173 321 I CB 1.288 39.374 38.000 0.143 0.000 1.338 321 I HN 0.721 nan 8.210 nan 0.000 0.456 322 E N 7.352 127.554 120.200 0.004 0.000 2.293 322 E HA 0.553 4.903 4.350 -0.000 0.000 0.270 322 E C -1.362 175.153 176.600 -0.142 0.000 0.879 322 E CA -0.725 55.585 56.400 -0.151 0.000 0.756 322 E CB 2.993 32.558 29.700 -0.224 0.000 1.208 322 E HN 0.450 nan 8.360 nan 0.000 0.428 323 I N 2.019 122.423 120.570 -0.278 0.000 2.545 323 I HA 0.294 4.464 4.170 -0.000 0.000 0.292 323 I C -1.261 174.705 176.117 -0.252 0.000 1.040 323 I CA -0.937 60.282 61.300 -0.135 0.000 1.068 323 I CB 1.300 39.237 38.000 -0.105 0.000 1.251 323 I HN 0.529 nan 8.210 nan 0.000 0.424 324 Y N 5.866 126.145 120.300 -0.034 0.000 2.915 324 Y HA 0.314 4.864 4.550 -0.000 0.000 0.350 324 Y C -2.205 173.701 175.900 0.010 0.000 1.061 324 Y CA -2.788 55.306 58.100 -0.010 0.000 1.179 324 Y CB 0.161 38.609 38.460 -0.020 0.000 1.180 324 Y HN 0.287 nan 8.280 nan 0.000 0.605 325 P HA 0.124 nan 4.420 nan 0.000 0.271 325 P C -0.277 177.169 177.300 0.243 0.000 1.216 325 P CA 0.097 63.298 63.100 0.168 0.000 0.771 325 P CB 1.603 33.370 31.700 0.111 0.000 0.864 326 I N 2.701 123.355 120.570 0.140 0.000 2.321 326 I HA 0.183 4.353 4.170 -0.000 0.000 0.291 326 I C 1.489 177.607 176.117 0.003 0.000 0.998 326 I CA -0.635 60.688 61.300 0.038 0.000 1.227 326 I CB 0.779 38.754 38.000 -0.043 0.000 1.368 326 I HN 0.410 nan 8.210 nan 0.000 0.466 327 A N 5.311 127.983 122.820 -0.247 0.000 1.874 327 A HA 0.466 4.786 4.320 -0.000 0.000 0.214 327 A C 1.036 178.575 177.584 -0.075 0.000 1.189 327 A CA 1.142 52.996 52.037 -0.305 0.000 0.615 327 A CB -0.173 18.404 19.000 -0.706 0.000 0.830 327 A HN 0.810 nan 8.150 nan 0.000 0.443 328 G N -3.207 105.569 108.800 -0.039 0.000 2.608 328 G HA2 0.517 4.477 3.960 -0.000 0.000 0.291 328 G HA3 0.517 4.477 3.960 -0.000 0.000 0.291 328 G C -1.302 173.662 174.900 0.108 0.000 1.425 328 G CA 0.100 45.219 45.100 0.033 0.000 0.787 328 G HN 0.198 nan 8.290 nan 0.000 0.484 329 T N 0.498 115.127 114.554 0.125 0.000 2.909 329 T HA 0.811 5.161 4.350 -0.000 0.000 0.299 329 T C -0.764 173.983 174.700 0.077 0.000 1.073 329 T CA -0.763 61.441 62.100 0.174 0.000 0.999 329 T CB 2.022 71.054 68.868 0.274 0.000 1.098 329 T HN 0.524 nan 8.240 nan 0.000 0.477 330 R N 1.675 122.195 120.500 0.034 0.000 2.707 330 R HA 0.540 4.879 4.340 -0.000 0.000 0.272 330 R C -3.002 173.302 176.300 0.008 0.000 1.011 330 R CA -2.130 53.983 56.100 0.022 0.000 0.893 330 R CB 1.870 32.179 30.300 0.016 0.000 1.233 330 R HN 0.395 nan 8.270 nan 0.000 0.464 331 P HA 0.258 nan 4.420 nan 0.000 0.276 331 P C -0.517 176.797 177.300 0.023 0.000 1.252 331 P CA -0.595 62.525 63.100 0.034 0.000 0.802 331 P CB 0.774 32.500 31.700 0.043 0.000 1.035 332 R N 0.154 120.672 120.500 0.030 0.000 2.679 332 R HA 0.338 4.678 4.340 -0.000 0.000 0.269 332 R C 0.877 177.184 176.300 0.012 0.000 1.076 332 R CA -0.177 55.927 56.100 0.007 0.000 1.160 332 R CB -0.292 30.000 30.300 -0.013 0.000 1.054 332 R HN 0.609 nan 8.270 nan 0.000 0.507 333 G N 2.148 110.948 108.800 0.000 0.000 2.394 333 G HA2 0.328 4.288 3.960 -0.000 0.000 0.298 333 G HA3 0.328 4.288 3.960 -0.000 0.000 0.298 333 G C -0.152 174.749 174.900 0.001 0.000 1.087 333 G CA -0.402 44.700 45.100 0.003 0.000 1.035 333 G HN 0.285 nan 8.290 nan 0.000 0.420 334 R N 1.586 122.092 120.500 0.010 0.000 2.807 334 R HA 0.444 4.784 4.340 -0.000 0.000 0.276 334 R C 0.183 176.489 176.300 0.010 0.000 0.979 334 R CA -0.946 55.159 56.100 0.008 0.000 0.928 334 R CB 2.506 32.818 30.300 0.019 0.000 1.191 334 R HN 0.540 nan 8.270 nan 0.000 0.471 335 R N 0.363 120.867 120.500 0.006 0.000 2.580 335 R HA 0.284 4.624 4.340 -0.000 0.000 0.267 335 R C 1.016 177.322 176.300 0.010 0.000 1.125 335 R CA -0.054 56.050 56.100 0.006 0.000 1.188 335 R CB 0.295 30.596 30.300 0.002 0.000 1.155 335 R HN 0.716 nan 8.270 nan 0.000 0.586 336 A N 1.192 124.017 122.820 0.008 0.000 2.024 336 A HA -0.188 4.132 4.320 -0.000 0.000 0.220 336 A C 1.187 178.777 177.584 0.009 0.000 1.164 336 A CA 1.950 53.992 52.037 0.009 0.000 0.643 336 A CB -0.581 18.423 19.000 0.006 0.000 0.806 336 A HN 0.820 nan 8.150 nan 0.000 0.451 337 D N -2.555 117.850 120.400 0.007 0.000 2.325 337 D HA 0.310 4.950 4.640 -0.000 0.000 0.225 337 D C 1.134 177.439 176.300 0.010 0.000 1.096 337 D CA 0.790 54.794 54.000 0.007 0.000 0.844 337 D CB -0.508 40.294 40.800 0.003 0.000 0.925 337 D HN 0.689 nan 8.370 nan 0.000 0.513 338 G N 0.380 109.189 108.800 0.014 0.000 2.253 338 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.251 338 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.251 338 G C 0.602 175.503 174.900 0.000 0.000 0.998 338 G CA 0.537 45.647 45.100 0.018 0.000 0.621 338 G HN 0.799 nan 8.290 nan 0.000 0.524 339 T N -0.412 114.139 114.554 -0.004 0.000 2.900 339 T HA 0.559 4.909 4.350 -0.000 0.000 0.307 339 T C 0.502 175.193 174.700 -0.015 0.000 1.065 339 T CA -0.185 61.908 62.100 -0.012 0.000 1.105 339 T CB 2.100 70.963 68.868 -0.010 0.000 0.979 339 T HN 0.959 nan 8.240 nan 0.000 0.544 340 L N 2.274 123.482 121.223 -0.024 0.000 2.410 340 L HA 0.304 4.644 4.340 -0.000 0.000 0.273 340 L C 0.166 177.026 176.870 -0.017 0.000 1.152 340 L CA 0.245 55.070 54.840 -0.025 0.000 0.855 340 L CB 0.379 42.417 42.059 -0.036 0.000 1.129 340 L HN 0.787 nan 8.230 nan 0.000 0.463 341 D N 4.545 124.937 120.400 -0.012 0.000 2.467 341 D HA 0.151 4.791 4.640 -0.000 0.000 0.220 341 D C 0.843 177.137 176.300 -0.010 0.000 1.103 341 D CA -0.387 53.608 54.000 -0.008 0.000 0.886 341 D CB 0.739 41.537 40.800 -0.003 0.000 1.025 341 D HN 0.431 nan 8.370 nan 0.000 0.514 342 R N 2.720 123.214 120.500 -0.012 0.000 2.091 342 R HA -0.151 4.189 4.340 -0.000 0.000 0.238 342 R C 1.333 177.628 176.300 -0.008 0.000 1.136 342 R CA 1.100 57.193 56.100 -0.012 0.000 0.959 342 R CB -0.472 29.821 30.300 -0.013 0.000 0.856 342 R HN 0.522 nan 8.270 nan 0.000 0.437 343 D N 0.559 120.956 120.400 -0.006 0.000 2.097 343 D HA -0.106 4.534 4.640 -0.000 0.000 0.197 343 D C 1.988 178.287 176.300 -0.002 0.000 0.984 343 D CA 0.680 54.679 54.000 -0.003 0.000 0.826 343 D CB 0.003 40.802 40.800 -0.002 0.000 0.973 343 D HN 0.054 nan 8.370 nan 0.000 0.460 344 L N 0.184 121.407 121.223 -0.001 0.000 2.046 344 L HA -0.178 4.162 4.340 -0.000 0.000 0.208 344 L C 1.821 178.691 176.870 -0.000 0.000 1.077 344 L CA 1.893 56.733 54.840 0.001 0.000 0.747 344 L CB -0.448 41.612 42.059 0.002 0.000 0.896 344 L HN 0.143 nan 8.230 nan 0.000 0.432 345 D N -0.674 119.723 120.400 -0.004 0.000 2.149 345 D HA -0.208 4.432 4.640 -0.000 0.000 0.198 345 D C 2.315 178.612 176.300 -0.006 0.000 0.990 345 D CA 1.521 55.517 54.000 -0.007 0.000 0.839 345 D CB 0.191 40.982 40.800 -0.014 0.000 0.948 345 D HN 0.438 nan 8.370 nan 0.000 0.460 346 S N -0.715 114.982 115.700 -0.005 0.000 2.406 346 S HA -0.070 4.400 4.470 -0.000 0.000 0.228 346 S C 1.976 176.576 174.600 0.001 0.000 1.020 346 S CA 0.326 58.524 58.200 -0.003 0.000 0.965 346 S CB -0.206 62.992 63.200 -0.003 0.000 0.798 346 S HN 0.206 nan 8.310 nan 0.000 0.488 347 R N 0.629 121.130 120.500 0.003 0.000 2.090 347 R HA 0.281 4.621 4.340 -0.000 0.000 0.228 347 R C 2.199 178.504 176.300 0.008 0.000 1.110 347 R CA 1.368 57.472 56.100 0.006 0.000 0.973 347 R CB -0.492 29.812 30.300 0.007 0.000 0.869 347 R HN 0.434 nan 8.270 nan 0.000 0.440 348 I N 0.733 121.307 120.570 0.006 0.000 2.315 348 I HA -0.238 3.932 4.170 -0.000 0.000 0.248 348 I C 2.546 178.666 176.117 0.006 0.000 1.117 348 I CA 1.217 62.522 61.300 0.008 0.000 1.404 348 I CB -0.221 37.783 38.000 0.006 0.000 1.071 348 I HN 0.263 nan 8.210 nan 0.000 0.419 349 E N 1.051 121.253 120.200 0.002 0.000 2.077 349 E HA -0.275 4.075 4.350 -0.000 0.000 0.193 349 E C 2.226 178.827 176.600 0.002 0.000 0.989 349 E CA 1.229 57.629 56.400 0.000 0.000 0.800 349 E CB 0.002 29.700 29.700 -0.003 0.000 0.746 349 E HN 0.301 nan 8.360 nan 0.000 0.452 350 L N 1.560 122.786 121.223 0.005 0.000 2.083 350 L HA -0.168 4.172 4.340 -0.000 0.000 0.209 350 L C 1.893 178.770 176.870 0.011 0.000 1.083 350 L CA 2.399 57.244 54.840 0.008 0.000 0.752 350 L CB -0.643 41.423 42.059 0.011 0.000 0.899 350 L HN 0.154 nan 8.230 nan 0.000 0.433 351 D N -0.868 119.540 120.400 0.014 0.000 2.104 351 D HA -0.319 4.321 4.640 -0.000 0.000 0.194 351 D C 2.269 178.578 176.300 0.016 0.000 0.994 351 D CA 2.144 56.156 54.000 0.020 0.000 0.830 351 D CB -0.175 40.637 40.800 0.021 0.000 0.959 351 D HN 0.447 nan 8.370 nan 0.000 0.452 352 M N -0.411 119.194 119.600 0.009 0.000 2.132 352 M HA -0.082 4.398 4.480 -0.000 0.000 0.263 352 M C 1.996 178.286 176.300 -0.017 0.000 1.065 352 M CA 1.367 56.668 55.300 0.002 0.000 1.122 352 M CB 0.065 32.668 32.600 0.004 0.000 1.365 352 M HN -0.083 nan 8.290 nan 0.000 0.411 353 R N -1.213 119.276 120.500 -0.019 0.000 2.280 353 R HA -0.010 4.330 4.340 -0.000 0.000 0.207 353 R C 1.254 177.514 176.300 -0.066 0.000 1.043 353 R CA 1.215 57.292 56.100 -0.038 0.000 1.006 353 R CB -0.127 30.160 30.300 -0.022 0.000 0.885 353 R HN 0.343 nan 8.270 nan 0.000 0.467 354 T N -0.064 114.468 114.554 -0.036 0.000 3.069 354 T HA -0.010 4.340 4.350 -0.000 0.000 0.252 354 T C 0.059 174.765 174.700 0.009 0.000 1.053 354 T CA 0.008 62.098 62.100 -0.016 0.000 0.964 354 T CB 0.118 69.020 68.868 0.056 0.000 1.005 354 T HN 0.048 nan 8.240 nan 0.000 0.532 355 D N 1.195 121.587 120.400 -0.014 0.000 2.383 355 D HA 0.024 4.664 4.640 -0.000 0.000 0.245 355 D C 0.642 176.941 176.300 -0.003 0.000 1.263 355 D CA 0.060 54.081 54.000 0.034 0.000 0.936 355 D CB 0.449 41.264 40.800 0.025 0.000 1.053 355 D HN 0.354 nan 8.370 nan 0.000 0.507 356 H N 2.004 121.091 119.070 0.028 0.000 2.457 356 H HA -0.069 4.487 4.556 -0.000 0.000 0.294 356 H C 1.945 177.294 175.328 0.035 0.000 1.064 356 H CA 1.224 57.290 56.048 0.030 0.000 1.330 356 H CB 0.418 30.195 29.762 0.024 0.000 1.395 356 H HN 0.359 nan 8.280 nan 0.000 0.541 357 K N 0.931 121.414 120.400 0.137 0.000 2.025 357 K HA -0.142 4.178 4.320 -0.000 0.000 0.207 357 K C 1.738 178.385 176.600 0.077 0.000 1.049 357 K CA 1.486 57.831 56.287 0.096 0.000 0.933 357 K CB 0.138 32.687 32.500 0.081 0.000 0.714 357 K HN 0.328 nan 8.250 nan 0.000 0.438 358 E N 0.855 121.093 120.200 0.063 0.000 2.110 358 E HA -0.178 4.172 4.350 -0.000 0.000 0.193 358 E C 1.984 178.624 176.600 0.067 0.000 0.988 358 E CA 0.757 57.191 56.400 0.057 0.000 0.804 358 E CB -0.064 29.657 29.700 0.034 0.000 0.745 358 E HN 0.280 nan 8.360 nan 0.000 0.458 359 L N 1.369 122.614 121.223 0.036 0.000 2.046 359 L HA -0.160 4.180 4.340 -0.000 0.000 0.208 359 L C 2.410 179.329 176.870 0.081 0.000 1.077 359 L CA 2.299 57.166 54.840 0.045 0.000 0.747 359 L CB -0.896 41.127 42.059 -0.061 0.000 0.896 359 L HN 0.151 nan 8.230 nan 0.000 0.432 360 S N -0.901 114.838 115.700 0.065 0.000 2.382 360 S HA -0.195 4.275 4.470 -0.000 0.000 0.228 360 S C 1.663 176.295 174.600 0.053 0.000 1.027 360 S CA 1.134 59.367 58.200 0.055 0.000 0.991 360 S CB -0.451 62.785 63.200 0.061 0.000 0.823 360 S HN 0.561 nan 8.310 nan 0.000 0.469 361 E N 0.271 120.517 120.200 0.077 0.000 2.152 361 E HA -0.138 4.212 4.350 -0.000 0.000 0.192 361 E C 2.017 178.673 176.600 0.094 0.000 0.983 361 E CA 1.118 57.566 56.400 0.080 0.000 0.818 361 E CB -0.247 29.506 29.700 0.090 0.000 0.758 361 E HN 0.757 nan 8.360 nan 0.000 0.467 362 H N 0.986 120.066 119.070 0.016 0.000 2.389 362 H HA -0.017 4.539 4.556 -0.000 0.000 0.299 362 H C 1.902 177.230 175.328 -0.000 0.000 1.081 362 H CA 1.231 57.286 56.048 0.011 0.000 1.345 362 H CB -0.106 29.662 29.762 0.010 0.000 1.393 362 H HN 0.043 nan 8.280 nan 0.000 0.520 363 L N -0.548 120.627 121.223 -0.080 0.000 2.131 363 L HA -0.175 4.165 4.340 -0.000 0.000 0.210 363 L C 2.521 179.307 176.870 -0.140 0.000 1.092 363 L CA 1.251 56.005 54.840 -0.144 0.000 0.759 363 L CB -0.361 41.664 42.059 -0.056 0.000 0.903 363 L HN 0.394 nan 8.230 nan 0.000 0.435 364 M N -0.623 118.923 119.600 -0.089 0.000 2.132 364 M HA -0.208 4.272 4.480 -0.000 0.000 0.263 364 M C 2.214 178.470 176.300 -0.072 0.000 1.065 364 M CA 1.705 56.961 55.300 -0.074 0.000 1.122 364 M CB -0.263 32.323 32.600 -0.023 0.000 1.365 364 M HN 0.248 nan 8.290 nan 0.000 0.411 365 L N -0.803 120.370 121.223 -0.084 0.000 2.217 365 L HA -0.121 4.219 4.340 -0.000 0.000 0.211 365 L C 2.311 179.094 176.870 -0.146 0.000 1.107 365 L CA 0.485 55.276 54.840 -0.082 0.000 0.783 365 L CB -0.568 41.470 42.059 -0.036 0.000 0.919 365 L HN 0.141 nan 8.230 nan 0.000 0.442 366 V N -0.375 119.389 119.914 -0.249 0.000 2.358 366 V HA -0.248 3.872 4.120 -0.000 0.000 0.246 366 V C 2.095 178.103 176.094 -0.143 0.000 1.047 366 V CA 1.688 63.844 62.300 -0.239 0.000 1.035 366 V CB -0.349 31.287 31.823 -0.312 0.000 0.658 366 V HN 0.394 nan 8.190 nan 0.000 0.452 367 D N -0.316 120.012 120.400 -0.121 0.000 2.178 367 D HA -0.115 4.525 4.640 -0.000 0.000 0.202 367 D C 1.962 178.220 176.300 -0.070 0.000 0.974 367 D CA 0.942 54.890 54.000 -0.086 0.000 0.841 367 D CB -0.025 40.726 40.800 -0.082 0.000 0.953 367 D HN 0.267 nan 8.370 nan 0.000 0.478 368 L N 0.806 121.990 121.223 -0.065 0.000 2.056 368 L HA -0.070 4.270 4.340 -0.000 0.000 0.207 368 L C 2.234 179.062 176.870 -0.071 0.000 1.078 368 L CA 1.438 56.248 54.840 -0.050 0.000 0.749 368 L CB -0.612 41.427 42.059 -0.034 0.000 0.901 368 L HN -0.066 nan 8.230 nan 0.000 0.433 369 A N -0.858 121.911 122.820 -0.085 0.000 1.930 369 A HA -0.192 4.128 4.320 -0.000 0.000 0.217 369 A C 2.393 179.919 177.584 -0.098 0.000 1.175 369 A CA 1.478 53.457 52.037 -0.096 0.000 0.627 369 A CB -0.459 18.479 19.000 -0.104 0.000 0.815 369 A HN 0.417 nan 8.150 nan 0.000 0.443 370 R N -0.637 119.809 120.500 -0.089 0.000 2.096 370 R HA -0.157 4.183 4.340 -0.000 0.000 0.235 370 R C 2.198 178.457 176.300 -0.068 0.000 1.127 370 R CA 1.574 57.629 56.100 -0.076 0.000 0.968 370 R CB -0.399 29.864 30.300 -0.061 0.000 0.861 370 R HN 0.706 nan 8.270 nan 0.000 0.440 371 N N 0.723 119.384 118.700 -0.065 0.000 2.106 371 N HA -0.160 4.580 4.740 -0.000 0.000 0.188 371 N C 1.201 176.664 175.510 -0.078 0.000 1.029 371 N CA 1.681 54.694 53.050 -0.061 0.000 0.848 371 N CB -0.038 38.419 38.487 -0.051 0.000 1.007 371 N HN 0.060 nan 8.380 nan 0.000 0.423 372 D N 0.102 120.446 120.400 -0.094 0.000 2.144 372 D HA -0.111 4.529 4.640 -0.000 0.000 0.199 372 D C 1.887 178.114 176.300 -0.122 0.000 0.984 372 D CA 0.723 54.651 54.000 -0.120 0.000 0.834 372 D CB -0.207 40.510 40.800 -0.140 0.000 0.955 372 D HN 0.364 nan 8.370 nan 0.000 0.465 373 L N 0.487 121.645 121.223 -0.109 0.000 2.156 373 L HA -0.032 4.308 4.340 -0.000 0.000 0.208 373 L C 2.448 179.268 176.870 -0.083 0.000 1.095 373 L CA 0.668 55.446 54.840 -0.103 0.000 0.770 373 L CB -0.348 41.650 42.059 -0.101 0.000 0.914 373 L HN -0.030 nan 8.230 nan 0.000 0.439 374 A N 0.198 122.975 122.820 -0.071 0.000 1.972 374 A HA -0.241 4.079 4.320 -0.000 0.000 0.219 374 A C 2.402 179.947 177.584 -0.065 0.000 1.169 374 A CA 1.526 53.530 52.037 -0.055 0.000 0.635 374 A CB -0.538 18.434 19.000 -0.045 0.000 0.810 374 A HN 0.337 nan 8.150 nan 0.000 0.446 375 R N 0.066 120.517 120.500 -0.082 0.000 2.148 375 R HA -0.039 4.301 4.340 -0.000 0.000 0.227 375 R C 1.480 177.714 176.300 -0.110 0.000 1.103 375 R CA 1.720 57.764 56.100 -0.094 0.000 0.983 375 R CB -0.259 29.976 30.300 -0.108 0.000 0.874 375 R HN 0.735 nan 8.270 nan 0.000 0.451 376 I N -3.835 116.665 120.570 -0.116 0.000 4.240 376 I HA 0.318 4.488 4.170 -0.000 0.000 0.331 376 I C -0.212 175.842 176.117 -0.105 0.000 1.381 376 I CA -0.758 60.462 61.300 -0.134 0.000 1.136 376 I CB 0.508 38.406 38.000 -0.170 0.000 1.137 376 I HN -0.105 nan 8.210 nan 0.000 0.411 377 C N 1.268 120.526 119.300 -0.071 0.000 2.401 377 C HA 0.495 4.955 4.460 -0.000 0.000 0.356 377 C C 0.977 175.958 174.990 -0.016 0.000 1.192 377 C CA -0.165 58.831 59.018 -0.037 0.000 2.028 377 C CB 1.486 29.211 27.740 -0.024 0.000 2.344 377 C HN 0.335 nan 8.230 nan 0.000 0.525 378 T N 4.015 118.575 114.554 0.010 0.000 2.902 378 T HA 0.118 4.468 4.350 -0.000 0.000 0.301 378 T C -2.358 172.349 174.700 0.011 0.000 1.012 378 T CA 0.078 62.190 62.100 0.019 0.000 1.151 378 T CB -0.139 68.747 68.868 0.030 0.000 0.946 378 T HN 0.494 nan 8.240 nan 0.000 0.542 379 P HA 0.171 nan 4.420 nan 0.000 0.264 379 P C 1.044 178.348 177.300 0.006 0.000 1.183 379 P CA 0.824 63.924 63.100 -0.000 0.000 0.763 379 P CB 0.237 31.933 31.700 -0.006 0.000 0.807 380 G N 2.321 111.127 108.800 0.010 0.000 2.179 380 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.260 380 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.260 380 G C 1.001 175.922 174.900 0.035 0.000 0.977 380 G CA 0.588 45.696 45.100 0.014 0.000 0.641 380 G HN 0.629 nan 8.290 nan 0.000 0.533 381 S N -1.059 114.674 115.700 0.056 0.000 2.502 381 S HA 0.355 4.825 4.470 -0.000 0.000 0.215 381 S C 1.123 175.834 174.600 0.185 0.000 1.009 381 S CA 0.549 58.810 58.200 0.101 0.000 0.908 381 S CB 0.373 63.616 63.200 0.073 0.000 0.801 381 S HN 0.571 nan 8.310 nan 0.000 0.505 382 R N 1.576 122.150 120.500 0.123 0.000 2.340 382 R HA 0.407 4.747 4.340 -0.000 0.000 0.300 382 R C -1.159 175.248 176.300 0.178 0.000 1.069 382 R CA -0.280 55.869 56.100 0.081 0.000 0.984 382 R CB 0.143 30.447 30.300 0.006 0.000 1.003 382 R HN 0.588 nan 8.270 nan 0.000 0.459 383 Y N -0.851 119.424 120.300 -0.041 0.000 2.741 383 Y HA 0.365 4.915 4.550 -0.000 0.000 0.339 383 Y C -1.544 174.328 175.900 -0.047 0.000 1.226 383 Y CA -1.298 56.778 58.100 -0.040 0.000 1.072 383 Y CB 0.788 39.231 38.460 -0.030 0.000 1.331 383 Y HN 0.031 nan 8.280 nan 0.000 0.453 384 V N 2.992 122.910 119.914 0.005 0.000 2.372 384 V HA 0.410 4.530 4.120 -0.000 0.000 0.261 384 V C 0.962 177.045 176.094 -0.017 0.000 1.055 384 V CA 0.559 62.810 62.300 -0.082 0.000 0.930 384 V CB -0.078 31.741 31.823 -0.006 0.000 1.031 384 V HN 1.059 nan 8.190 nan 0.000 0.479 385 A N 3.788 126.453 122.820 -0.259 0.000 1.897 385 A HA 0.023 4.343 4.320 -0.000 0.000 0.215 385 A C 0.811 178.420 177.584 0.041 0.000 1.181 385 A CA 0.907 52.908 52.037 -0.060 0.000 0.620 385 A CB 0.048 18.912 19.000 -0.226 0.000 0.821 385 A HN 0.701 nan 8.150 nan 0.000 0.443 386 D N -0.388 120.006 120.400 -0.010 0.000 2.549 386 D HA 0.443 5.083 4.640 -0.000 0.000 0.251 386 D C -1.657 174.668 176.300 0.042 0.000 1.153 386 D CA -0.233 53.786 54.000 0.031 0.000 0.861 386 D CB 1.881 42.704 40.800 0.038 0.000 1.207 386 D HN 0.131 nan 8.370 nan 0.000 0.543 387 L N 3.126 124.383 121.223 0.058 0.000 2.280 387 L HA 0.228 4.568 4.340 -0.000 0.000 0.287 387 L C 0.260 177.178 176.870 0.081 0.000 1.023 387 L CA -0.100 54.785 54.840 0.075 0.000 0.819 387 L CB 0.637 42.732 42.059 0.060 0.000 1.212 387 L HN 0.622 nan 8.230 nan 0.000 0.420 388 T N 1.602 116.223 114.554 0.112 0.000 3.506 388 T HA -0.240 4.110 4.350 -0.000 0.000 0.407 388 T C -0.052 174.669 174.700 0.034 0.000 0.766 388 T CA 1.297 63.428 62.100 0.052 0.000 2.070 388 T CB -1.958 66.932 68.868 0.038 0.000 1.712 388 T HN 0.911 nan 8.240 nan 0.000 0.692 389 K N -0.291 120.138 120.400 0.048 0.000 2.123 389 K HA 0.755 5.075 4.320 -0.000 0.000 0.248 389 K C -0.486 176.142 176.600 0.047 0.000 0.969 389 K CA -1.260 55.054 56.287 0.046 0.000 0.882 389 K CB 2.053 34.588 32.500 0.058 0.000 1.080 389 K HN 0.151 nan 8.250 nan 0.000 0.441 390 V N 2.291 122.227 119.914 0.036 0.000 2.394 390 V HA 0.173 4.293 4.120 -0.000 0.000 0.282 390 V C -0.847 175.265 176.094 0.030 0.000 1.031 390 V CA -0.700 61.621 62.300 0.036 0.000 0.881 390 V CB 1.274 33.103 31.823 0.011 0.000 0.982 390 V HN 0.778 nan 8.190 nan 0.000 0.451 391 D N 4.327 124.766 120.400 0.066 0.000 2.256 391 D HA 0.459 5.099 4.640 -0.000 0.000 0.240 391 D C -0.069 176.180 176.300 -0.084 0.000 1.062 391 D CA -0.380 53.623 54.000 0.005 0.000 0.832 391 D CB 1.728 42.622 40.800 0.157 0.000 1.135 391 D HN 0.387 nan 8.370 nan 0.000 0.484 392 R N 2.370 122.718 120.500 -0.253 0.000 2.393 392 R HA 0.471 4.811 4.340 -0.000 0.000 0.310 392 R C -0.605 175.411 176.300 -0.475 0.000 0.968 392 R CA -0.548 55.407 56.100 -0.242 0.000 0.867 392 R CB 1.215 31.423 30.300 -0.153 0.000 1.124 392 R HN 0.396 nan 8.270 nan 0.000 0.450 393 Y N -0.660 119.595 120.300 -0.075 0.000 2.772 393 Y HA 0.211 4.761 4.550 0.000 0.000 0.324 393 Y C 1.589 177.423 175.900 -0.110 0.000 1.169 393 Y CA -0.636 57.430 58.100 -0.058 0.000 1.198 393 Y CB 1.207 39.657 38.460 -0.017 0.000 1.402 393 Y HN 0.492 nan 8.280 nan 0.000 0.577 394 S N -0.795 114.922 115.700 0.028 0.000 2.356 394 S HA -0.177 4.293 4.470 -0.000 0.000 0.223 394 S C 1.036 175.378 174.600 -0.430 0.000 1.032 394 S CA 1.786 59.814 58.200 -0.286 0.000 1.005 394 S CB -0.323 62.590 63.200 -0.478 0.000 0.867 394 S HN 0.638 nan 8.310 nan 0.000 0.449 395 Y N 0.107 120.431 120.300 0.041 0.000 2.445 395 Y HA 0.412 4.962 4.550 0.000 0.000 0.247 395 Y C 0.416 176.313 175.900 -0.006 0.000 1.129 395 Y CA -0.560 57.546 58.100 0.010 0.000 1.251 395 Y CB 0.698 39.158 38.460 0.000 0.000 1.176 395 Y HN 0.114 nan 8.280 nan 0.000 0.522 396 V N -1.459 118.518 119.914 0.106 0.000 3.206 396 V HA 0.671 4.791 4.120 -0.000 0.000 0.305 396 V C -0.784 175.253 176.094 -0.094 0.000 1.257 396 V CA -1.496 60.796 62.300 -0.013 0.000 1.057 396 V CB 2.220 34.001 31.823 -0.071 0.000 1.075 396 V HN 0.116 nan 8.190 nan 0.000 0.443 397 M N 1.241 120.733 119.600 -0.179 0.000 2.518 397 M HA 0.763 5.243 4.480 -0.000 0.000 0.300 397 M C -1.477 174.675 176.300 -0.247 0.000 1.175 397 M CA -0.494 54.709 55.300 -0.162 0.000 0.890 397 M CB 2.498 35.063 32.600 -0.058 0.000 1.710 397 M HN 0.816 nan 8.290 nan 0.000 0.453 398 H N 1.838 120.991 119.070 0.139 0.000 2.690 398 H HA 0.588 5.144 4.556 -0.000 0.000 0.368 398 H C -1.575 173.782 175.328 0.048 0.000 1.150 398 H CA -0.940 55.162 56.048 0.090 0.000 1.174 398 H CB 2.579 32.411 29.762 0.116 0.000 1.684 398 H HN 0.689 nan 8.280 nan 0.000 0.538 399 L N 2.714 124.011 121.223 0.123 0.000 2.265 399 L HA 0.390 4.730 4.340 -0.000 0.000 0.289 399 L C -0.614 176.236 176.870 -0.034 0.000 1.033 399 L CA -0.339 54.508 54.840 0.011 0.000 0.814 399 L CB 0.785 42.803 42.059 -0.068 0.000 1.203 399 L HN 0.400 nan 8.230 nan 0.000 0.423 400 V N 4.413 124.340 119.914 0.023 0.000 2.962 400 V HA 0.774 4.894 4.120 -0.000 0.000 0.313 400 V C -0.576 175.585 176.094 0.111 0.000 1.099 400 V CA -0.177 62.162 62.300 0.065 0.000 0.971 400 V CB 2.719 34.641 31.823 0.165 0.000 1.028 400 V HN 0.843 nan 8.190 nan 0.000 0.430 401 S N 4.113 119.930 115.700 0.196 0.000 2.536 401 S HA 0.692 5.162 4.470 -0.000 0.000 0.298 401 S C -0.885 173.749 174.600 0.057 0.000 1.083 401 S CA -0.670 57.632 58.200 0.171 0.000 0.995 401 S CB 1.675 65.041 63.200 0.277 0.000 1.058 401 S HN 0.815 nan 8.310 nan 0.000 0.488 402 R N 2.113 122.578 120.500 -0.057 0.000 2.409 402 R HA 0.611 4.951 4.340 -0.000 0.000 0.313 402 R C -1.790 174.339 176.300 -0.286 0.000 0.953 402 R CA -0.397 55.539 56.100 -0.272 0.000 0.849 402 R CB 0.825 30.951 30.300 -0.289 0.000 1.171 402 R HN 0.468 nan 8.270 nan 0.000 0.458 403 V N 5.313 125.031 119.914 -0.326 0.000 2.398 403 V HA 0.479 4.599 4.120 -0.000 0.000 0.286 403 V C -0.141 175.744 176.094 -0.347 0.000 1.026 403 V CA -0.619 61.500 62.300 -0.301 0.000 0.868 403 V CB 1.517 33.214 31.823 -0.210 0.000 0.982 403 V HN 0.495 nan 8.190 nan 0.000 0.443 404 V N 2.836 122.496 119.914 -0.424 0.000 3.074 404 V HA 1.054 5.174 4.120 -0.000 0.000 0.314 404 V C 0.422 176.358 176.094 -0.263 0.000 1.117 404 V CA -0.185 61.908 62.300 -0.345 0.000 1.014 404 V CB 2.121 33.720 31.823 -0.373 0.000 1.057 404 V HN 1.099 nan 8.190 nan 0.000 0.438 405 G N 0.544 109.274 108.800 -0.117 0.000 2.576 405 G HA2 0.529 4.489 3.960 -0.000 0.000 0.290 405 G HA3 0.529 4.489 3.960 -0.000 0.000 0.290 405 G C -1.862 173.053 174.900 0.025 0.000 1.442 405 G CA -0.516 44.568 45.100 -0.027 0.000 0.792 405 G HN 0.683 nan 8.290 nan 0.000 0.491 406 E N 0.353 120.582 120.200 0.049 0.000 2.115 406 E HA 0.394 4.744 4.350 -0.000 0.000 0.282 406 E C -0.459 176.178 176.600 0.062 0.000 0.987 406 E CA -0.738 55.705 56.400 0.072 0.000 0.797 406 E CB 1.227 30.968 29.700 0.068 0.000 1.086 406 E HN 0.382 nan 8.360 nan 0.000 0.397 407 L N 4.959 126.242 121.223 0.099 0.000 2.513 407 L HA 0.075 4.415 4.340 -0.000 0.000 0.272 407 L C 0.446 177.328 176.870 0.021 0.000 1.187 407 L CA 0.634 55.486 54.840 0.020 0.000 0.895 407 L CB 0.263 42.304 42.059 -0.030 0.000 1.147 407 L HN 0.593 nan 8.230 nan 0.000 0.483 408 R N 3.427 123.912 120.500 -0.025 0.000 2.638 408 R HA -0.079 4.261 4.340 -0.000 0.000 0.268 408 R C 1.552 177.855 176.300 0.005 0.000 1.006 408 R CA 0.640 56.745 56.100 0.008 0.000 1.088 408 R CB 0.305 30.574 30.300 -0.052 0.000 0.950 408 R HN 0.874 nan 8.270 nan 0.000 0.419 409 H N 2.922 121.973 119.070 -0.032 0.000 2.457 409 H HA -0.154 4.402 4.556 -0.000 0.000 0.297 409 H C 0.532 175.840 175.328 -0.034 0.000 1.092 409 H CA 1.866 57.903 56.048 -0.018 0.000 1.309 409 H CB 0.055 29.811 29.762 -0.009 0.000 1.382 409 H HN 0.732 nan 8.280 nan 0.000 0.535 410 D N 0.421 120.365 120.400 -0.761 0.000 2.339 410 D HA 0.083 4.723 4.640 -0.000 0.000 0.217 410 D C 0.825 176.914 176.300 -0.352 0.000 1.050 410 D CA -0.165 53.484 54.000 -0.586 0.000 0.856 410 D CB 0.124 40.544 40.800 -0.633 0.000 0.922 410 D HN 0.340 nan 8.370 nan 0.000 0.518 411 L N 0.566 121.611 121.223 -0.296 0.000 2.331 411 L HA 0.432 4.772 4.340 -0.000 0.000 0.268 411 L C -0.128 176.692 176.870 -0.083 0.000 1.015 411 L CA -1.095 53.586 54.840 -0.265 0.000 0.807 411 L CB 1.511 43.366 42.059 -0.340 0.000 1.293 411 L HN -0.088 nan 8.230 nan 0.000 0.451 412 D N -0.811 119.630 120.400 0.068 0.000 2.714 412 D HA 0.431 5.071 4.640 -0.000 0.000 0.278 412 D C 0.394 176.486 176.300 -0.347 0.000 1.102 412 D CA -0.352 53.562 54.000 -0.142 0.000 1.108 412 D CB 1.229 41.978 40.800 -0.086 0.000 1.444 412 D HN 0.451 nan 8.370 nan 0.000 0.568 413 A N -0.508 122.040 122.820 -0.453 0.000 2.019 413 A HA -0.052 4.268 4.320 -0.000 0.000 0.219 413 A C 2.097 179.402 177.584 -0.465 0.000 1.164 413 A CA 1.115 52.853 52.037 -0.498 0.000 0.644 413 A CB -0.981 17.850 19.000 -0.282 0.000 0.805 413 A HN 0.546 nan 8.150 nan 0.000 0.449 414 L N -1.948 118.948 121.223 -0.545 0.000 2.217 414 L HA -0.119 4.221 4.340 -0.000 0.000 0.211 414 L C 2.377 178.772 176.870 -0.791 0.000 1.107 414 L CA 1.145 55.568 54.840 -0.695 0.000 0.783 414 L CB -0.580 41.082 42.059 -0.663 0.000 0.919 414 L HN 0.490 nan 8.230 nan 0.000 0.442 415 H N -0.461 118.289 119.070 -0.532 0.000 2.389 415 H HA -0.065 4.491 4.556 -0.000 0.000 0.299 415 H C 2.349 177.380 175.328 -0.495 0.000 1.081 415 H CA 1.182 56.931 56.048 -0.498 0.000 1.345 415 H CB 0.052 29.601 29.762 -0.355 0.000 1.393 415 H HN 0.335 nan 8.280 nan 0.000 0.520 416 A N 0.416 123.038 122.820 -0.329 0.000 1.877 416 A HA -0.256 4.064 4.320 -0.000 0.000 0.216 416 A C 2.099 179.449 177.584 -0.390 0.000 1.186 416 A CA 1.706 53.544 52.037 -0.331 0.000 0.620 416 A CB -1.016 17.786 19.000 -0.330 0.000 0.822 416 A HN 0.554 nan 8.150 nan 0.000 0.443 417 Y N 0.126 120.103 120.300 -0.539 0.000 2.181 417 Y HA -0.184 4.366 4.550 -0.000 0.000 0.288 417 Y C 2.599 178.108 175.900 -0.651 0.000 1.146 417 Y CA 2.111 59.860 58.100 -0.585 0.000 1.164 417 Y CB -0.266 37.736 38.460 -0.764 0.000 0.982 417 Y HN 0.256 nan 8.280 nan 0.000 0.515 418 R N 0.317 120.308 120.500 -0.847 0.000 2.091 418 R HA -0.208 4.132 4.340 -0.000 0.000 0.238 418 R C 2.245 178.171 176.300 -0.625 0.000 1.136 418 R CA 1.442 57.004 56.100 -0.896 0.000 0.959 418 R CB -0.629 29.025 30.300 -1.078 0.000 0.856 418 R HN 0.461 nan 8.270 nan 0.000 0.437 419 A N -0.057 122.467 122.820 -0.494 0.000 1.933 419 A HA -0.151 4.169 4.320 -0.000 0.000 0.218 419 A C 2.338 179.708 177.584 -0.355 0.000 1.175 419 A CA 1.510 53.335 52.037 -0.353 0.000 0.628 419 A CB -0.542 18.292 19.000 -0.278 0.000 0.814 419 A HN 0.566 nan 8.150 nan 0.000 0.444 420 C N -1.764 117.266 119.300 -0.449 0.000 2.594 420 C HA 0.298 4.758 4.460 -0.000 0.000 0.265 420 C C 1.250 175.947 174.990 -0.489 0.000 1.351 420 C CA -0.314 58.455 59.018 -0.415 0.000 1.744 420 C CB -1.746 25.757 27.740 -0.394 0.000 1.890 420 C HN 0.659 nan 8.230 nan 0.000 0.551 421 M N 2.934 122.140 119.600 -0.658 0.000 2.309 421 M HA -0.149 4.330 4.480 -0.000 0.000 0.519 421 M C -0.411 175.654 176.300 -0.391 0.000 1.458 421 M CA 1.249 56.182 55.300 -0.613 0.000 0.773 421 M CB -0.857 31.469 32.600 -0.455 0.000 1.955 421 M HN 0.552 nan 8.290 nan 0.000 0.540 422 N N 3.489 121.984 118.700 -0.341 0.000 2.454 422 N HA -0.120 4.620 4.740 -0.000 0.000 0.280 422 N C -0.892 174.533 175.510 -0.141 0.000 1.515 422 N CA 0.546 53.474 53.050 -0.202 0.000 0.892 422 N CB -0.385 37.917 38.487 -0.309 0.000 0.892 422 N HN 0.634 nan 8.380 nan 0.000 0.475 423 M N 0.743 120.290 119.600 -0.089 0.000 2.252 423 M HA 0.092 4.572 4.480 -0.000 0.000 0.329 423 M C 2.013 178.300 176.300 -0.023 0.000 1.101 423 M CA 0.820 56.083 55.300 -0.062 0.000 1.117 423 M CB -0.191 32.391 32.600 -0.031 0.000 1.563 423 M HN 0.668 nan 8.290 nan 0.000 0.445 424 G N 1.536 110.323 108.800 -0.020 0.000 2.470 424 G HA2 -0.159 3.801 3.960 -0.000 0.000 0.220 424 G HA3 -0.159 3.801 3.960 -0.000 0.000 0.220 424 G C 1.257 176.176 174.900 0.030 0.000 1.121 424 G CA 1.054 46.158 45.100 0.008 0.000 0.766 424 G HN 0.772 nan 8.290 nan 0.000 0.553 425 T N 0.819 115.386 114.554 0.023 0.000 2.685 425 T HA -0.137 4.213 4.350 -0.000 0.000 0.268 425 T C 1.470 176.190 174.700 0.033 0.000 1.034 425 T CA 0.909 63.027 62.100 0.030 0.000 1.149 425 T CB -0.041 68.836 68.868 0.014 0.000 0.860 425 T HN 0.109 nan 8.240 nan 0.000 0.449 426 L N 0.426 121.665 121.223 0.025 0.000 3.014 426 L HA 0.395 4.735 4.340 -0.000 0.000 0.263 426 L C 1.477 178.407 176.870 0.099 0.000 1.207 426 L CA 0.070 54.922 54.840 0.021 0.000 1.017 426 L CB -0.056 41.919 42.059 -0.140 0.000 1.360 426 L HN 0.311 nan 8.230 nan 0.000 0.560 427 S N -2.183 113.588 115.700 0.117 0.000 3.386 427 S HA 0.866 5.336 4.470 -0.000 0.000 0.181 427 S C 0.753 175.411 174.600 0.096 0.000 0.763 427 S CA 0.311 58.602 58.200 0.151 0.000 0.847 427 S CB 1.275 64.562 63.200 0.145 0.000 0.980 427 S HN 0.275 nan 8.310 nan 0.000 0.676 428 G N 0.466 109.307 108.800 0.069 0.000 2.345 428 G HA2 0.573 4.533 3.960 -0.000 0.000 0.285 428 G HA3 0.573 4.533 3.960 -0.000 0.000 0.285 428 G C -1.874 173.058 174.900 0.053 0.000 1.297 428 G CA -0.203 44.933 45.100 0.060 0.000 0.875 428 G HN 1.467 nan 8.290 nan 0.000 0.506 429 A N 0.029 122.888 122.820 0.064 0.000 2.437 429 A HA 0.874 5.194 4.320 -0.000 0.000 0.293 429 A C -3.155 174.410 177.584 -0.033 0.000 1.038 429 A CA -1.170 50.930 52.037 0.104 0.000 0.708 429 A CB 2.016 21.159 19.000 0.238 0.000 1.251 429 A HN 0.461 nan 8.150 nan 0.000 0.409 430 P HA 0.141 nan 4.420 nan 0.000 0.271 430 P C 0.802 178.082 177.300 -0.032 0.000 1.218 430 P CA -0.216 62.866 63.100 -0.031 0.000 0.780 430 P CB 0.891 32.543 31.700 -0.080 0.000 0.901 431 K N 1.671 122.064 120.400 -0.011 0.000 1.978 431 K HA -0.152 4.168 4.320 -0.000 0.000 0.214 431 K C 1.615 178.199 176.600 -0.027 0.000 1.049 431 K CA 1.862 58.137 56.287 -0.019 0.000 0.939 431 K CB -0.735 31.743 32.500 -0.037 0.000 0.721 431 K HN 0.087 nan 8.250 nan 0.000 0.441 432 V N 1.188 121.080 119.914 -0.037 0.000 2.282 432 V HA -0.277 3.843 4.120 -0.000 0.000 0.249 432 V C 2.535 178.609 176.094 -0.032 0.000 1.057 432 V CA 2.223 64.502 62.300 -0.035 0.000 1.032 432 V CB -0.586 31.216 31.823 -0.035 0.000 0.645 432 V HN 0.366 nan 8.190 nan 0.000 0.447 433 R N 0.547 121.019 120.500 -0.047 0.000 2.073 433 R HA -0.109 4.231 4.340 -0.000 0.000 0.234 433 R C 2.230 178.504 176.300 -0.043 0.000 1.134 433 R CA 1.877 57.943 56.100 -0.057 0.000 0.952 433 R CB -1.005 29.237 30.300 -0.096 0.000 0.850 433 R HN 0.487 nan 8.270 nan 0.000 0.433 434 A N 0.063 122.860 122.820 -0.038 0.000 1.902 434 A HA -0.173 4.147 4.320 -0.000 0.000 0.217 434 A C 2.223 179.826 177.584 0.032 0.000 1.181 434 A CA 1.822 53.854 52.037 -0.009 0.000 0.623 434 A CB -0.478 18.524 19.000 0.005 0.000 0.818 434 A HN 0.373 nan 8.150 nan 0.000 0.443 435 M N -1.065 118.561 119.600 0.044 0.000 2.175 435 M HA -0.199 4.280 4.480 -0.000 0.000 0.264 435 M C 2.396 178.735 176.300 0.065 0.000 1.063 435 M CA 1.504 56.860 55.300 0.094 0.000 1.119 435 M CB -0.503 32.134 32.600 0.063 0.000 1.377 435 M HN 0.512 nan 8.290 nan 0.000 0.415 436 Q N 0.224 120.036 119.800 0.019 0.000 2.084 436 Q HA -0.159 4.181 4.340 -0.000 0.000 0.202 436 Q C 2.007 178.011 176.000 0.007 0.000 0.978 436 Q CA 1.126 56.931 55.803 0.003 0.000 0.844 436 Q CB -0.162 28.566 28.738 -0.017 0.000 0.898 436 Q HN 0.335 nan 8.270 nan 0.000 0.426 437 L N 0.305 121.529 121.223 0.002 0.000 2.093 437 L HA -0.156 4.184 4.340 -0.000 0.000 0.208 437 L C 2.084 178.962 176.870 0.014 0.000 1.085 437 L CA 1.502 56.341 54.840 -0.002 0.000 0.755 437 L CB -0.462 41.588 42.059 -0.015 0.000 0.904 437 L HN 0.239 nan 8.230 nan 0.000 0.435 438 I N -0.927 119.666 120.570 0.038 0.000 2.226 438 I HA -0.328 3.842 4.170 -0.000 0.000 0.245 438 I C 2.579 178.725 176.117 0.048 0.000 1.100 438 I CA 1.163 62.494 61.300 0.053 0.000 1.374 438 I CB -0.458 37.596 38.000 0.090 0.000 1.057 438 I HN 0.240 nan 8.210 nan 0.000 0.413 439 A N 0.564 123.419 122.820 0.058 0.000 1.883 439 A HA -0.278 4.042 4.320 -0.000 0.000 0.217 439 A C 1.960 179.559 177.584 0.025 0.000 1.186 439 A CA 2.277 54.343 52.037 0.049 0.000 0.624 439 A CB -0.696 18.330 19.000 0.044 0.000 0.822 439 A HN 0.347 nan 8.150 nan 0.000 0.444 440 D N -0.188 120.220 120.400 0.014 0.000 2.149 440 D HA -0.056 4.584 4.640 -0.000 0.000 0.198 440 D C 2.167 178.470 176.300 0.004 0.000 0.990 440 D CA 1.579 55.581 54.000 0.005 0.000 0.839 440 D CB -0.338 40.460 40.800 -0.003 0.000 0.948 440 D HN 0.446 nan 8.370 nan 0.000 0.460 441 A N 0.602 123.425 122.820 0.007 0.000 1.930 441 A HA -0.108 4.212 4.320 -0.000 0.000 0.215 441 A C 1.998 179.590 177.584 0.014 0.000 1.176 441 A CA 1.027 53.067 52.037 0.005 0.000 0.632 441 A CB -0.182 18.820 19.000 0.003 0.000 0.819 441 A HN 0.180 nan 8.150 nan 0.000 0.445 442 E N -1.693 118.518 120.200 0.017 0.000 2.140 442 E HA 0.202 4.552 4.350 -0.000 0.000 0.191 442 E C 1.343 177.945 176.600 0.004 0.000 0.973 442 E CA 0.391 56.797 56.400 0.010 0.000 0.829 442 E CB -0.129 29.573 29.700 0.003 0.000 0.781 442 E HN 0.694 nan 8.360 nan 0.000 0.466 443 G N 2.139 110.945 108.800 0.010 0.000 2.168 443 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.263 443 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.263 443 G C 0.090 174.998 174.900 0.012 0.000 0.977 443 G CA 0.977 46.083 45.100 0.010 0.000 0.659 443 G HN 0.393 nan 8.290 nan 0.000 0.533 444 Q N -1.545 118.263 119.800 0.013 0.000 2.472 444 Q HA 0.627 4.967 4.340 -0.000 0.000 0.281 444 Q C -0.316 175.700 176.000 0.027 0.000 0.997 444 Q CA -1.252 54.561 55.803 0.017 0.000 0.828 444 Q CB 1.246 29.984 28.738 0.001 0.000 1.443 444 Q HN 0.259 nan 8.270 nan 0.000 0.390 445 R N 0.694 121.220 120.500 0.044 0.000 2.697 445 R HA 0.033 4.373 4.340 -0.000 0.000 0.265 445 R C 0.928 177.253 176.300 0.042 0.000 1.009 445 R CA 0.480 56.623 56.100 0.070 0.000 1.099 445 R CB 0.527 30.871 30.300 0.073 0.000 0.965 445 R HN 0.601 nan 8.270 nan 0.000 0.428 446 R N 1.465 122.003 120.500 0.063 0.000 2.173 446 R HA 0.027 4.367 4.340 -0.000 0.000 0.208 446 R C 1.318 177.651 176.300 0.055 0.000 1.035 446 R CA 0.727 56.834 56.100 0.011 0.000 1.004 446 R CB 0.072 30.275 30.300 -0.162 0.000 0.917 446 R HN 1.015 nan 8.270 nan 0.000 0.462 447 G N 0.476 109.327 108.800 0.085 0.000 2.536 447 G HA2 -0.430 3.530 3.960 -0.000 0.000 0.280 447 G HA3 -0.430 3.530 3.960 -0.000 0.000 0.280 447 G C 0.863 175.801 174.900 0.063 0.000 1.152 447 G CA 0.629 45.746 45.100 0.029 0.000 0.970 447 G HN 0.388 nan 8.290 nan 0.000 0.549 448 S N -0.757 114.941 115.700 -0.004 0.000 2.406 448 S HA 0.078 4.548 4.470 -0.000 0.000 0.228 448 S C 1.285 175.951 174.600 0.109 0.000 1.020 448 S CA 1.437 59.653 58.200 0.028 0.000 0.965 448 S CB -0.178 63.002 63.200 -0.034 0.000 0.798 448 S HN 1.381 nan 8.310 nan 0.000 0.488 449 Y N 3.601 123.899 120.300 -0.003 0.000 2.729 449 Y HA 0.369 4.919 4.550 -0.000 0.000 0.331 449 Y C 1.415 177.325 175.900 0.015 0.000 1.208 449 Y CA 0.528 58.624 58.100 -0.007 0.000 1.521 449 Y CB -0.342 38.080 38.460 -0.063 0.000 1.233 449 Y HN 0.429 nan 8.280 nan 0.000 0.539 450 G N 3.256 111.769 108.800 -0.479 0.000 2.179 450 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.260 450 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.260 450 G C 0.574 175.563 174.900 0.149 0.000 0.977 450 G CA 0.201 45.168 45.100 -0.221 0.000 0.641 450 G HN 1.223 nan 8.290 nan 0.000 0.533 451 G N -0.423 108.464 108.800 0.145 0.000 2.574 451 G HA2 0.848 4.808 3.960 -0.000 0.000 0.248 451 G HA3 0.848 4.808 3.960 -0.000 0.000 0.248 451 G C 0.020 175.011 174.900 0.151 0.000 1.422 451 G CA 0.290 45.514 45.100 0.207 0.000 1.051 451 G HN 1.652 nan 8.290 nan 0.000 0.560 452 A N -1.782 121.157 122.820 0.199 0.000 2.449 452 A HA 0.682 5.002 4.320 -0.000 0.000 0.302 452 A C -1.173 176.410 177.584 -0.001 0.000 1.048 452 A CA -0.408 51.710 52.037 0.135 0.000 0.708 452 A CB 1.995 21.188 19.000 0.322 0.000 1.274 452 A HN 0.897 nan 8.150 nan 0.000 0.410 453 V N 1.095 120.907 119.914 -0.169 0.000 2.715 453 V HA 0.926 5.046 4.120 -0.000 0.000 0.310 453 V C 0.762 176.784 176.094 -0.120 0.000 1.054 453 V CA 0.759 62.877 62.300 -0.304 0.000 0.928 453 V CB 1.535 32.932 31.823 -0.710 0.000 1.007 453 V HN 1.859 nan 8.190 nan 0.000 0.437 454 G N 2.722 111.475 108.800 -0.078 0.000 2.399 454 G HA2 0.436 4.396 3.960 -0.000 0.000 0.256 454 G HA3 0.436 4.396 3.960 -0.000 0.000 0.256 454 G C -1.714 173.279 174.900 0.155 0.000 1.236 454 G CA 0.138 45.294 45.100 0.094 0.000 0.914 454 G HN 1.269 nan 8.290 nan 0.000 0.482 455 Y N -1.198 119.144 120.300 0.070 0.000 2.670 455 Y HA 0.854 5.404 4.550 -0.000 0.000 0.334 455 Y C -1.192 174.693 175.900 -0.026 0.000 1.185 455 Y CA -2.150 55.853 58.100 -0.161 0.000 1.053 455 Y CB 1.324 39.489 38.460 -0.491 0.000 1.298 455 Y HN 1.373 nan 8.280 nan 0.000 0.459 456 F N -0.859 119.022 119.950 -0.115 0.000 2.654 456 F HA 0.875 5.402 4.527 -0.000 0.000 0.308 456 F C -0.947 174.902 175.800 0.082 0.000 1.108 456 F CA -0.635 57.322 58.000 -0.072 0.000 0.957 456 F CB 1.682 40.572 39.000 -0.184 0.000 1.309 456 F HN 0.820 nan 8.300 nan 0.000 0.446 457 T N -1.533 113.245 114.554 0.374 0.000 2.907 457 T HA 0.693 5.043 4.350 -0.000 0.000 0.290 457 T C 0.669 175.622 174.700 0.423 0.000 1.066 457 T CA -0.331 61.989 62.100 0.366 0.000 1.012 457 T CB 1.560 70.654 68.868 0.377 0.000 1.184 457 T HN 1.210 nan 8.240 nan 0.000 0.522 458 A N 0.104 123.168 122.820 0.407 0.000 2.019 458 A HA -0.066 4.254 4.320 -0.000 0.000 0.219 458 A C 2.048 179.816 177.584 0.308 0.000 1.164 458 A CA 2.062 54.314 52.037 0.359 0.000 0.644 458 A CB -1.496 17.703 19.000 0.333 0.000 0.805 458 A HN 1.076 nan 8.150 nan 0.000 0.449 459 H N -1.001 118.200 119.070 0.219 0.000 2.456 459 H HA 0.094 4.650 4.556 -0.000 0.000 0.296 459 H C 1.537 176.977 175.328 0.186 0.000 1.079 459 H CA 1.839 57.995 56.048 0.179 0.000 1.322 459 H CB -0.075 29.787 29.762 0.166 0.000 1.388 459 H HN 0.550 nan 8.280 nan 0.000 0.538 460 G N -0.677 108.235 108.800 0.187 0.000 2.284 460 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.201 460 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.201 460 G C -0.197 174.872 174.900 0.282 0.000 0.998 460 G CA 0.041 45.244 45.100 0.171 0.000 0.651 460 G HN 0.477 nan 8.290 nan 0.000 0.489 461 D N 0.405 120.959 120.400 0.257 0.000 2.362 461 D HA 0.523 5.163 4.640 -0.000 0.000 0.242 461 D C 0.120 176.566 176.300 0.243 0.000 1.132 461 D CA 0.554 54.702 54.000 0.246 0.000 0.907 461 D CB 2.296 43.264 40.800 0.280 0.000 1.195 461 D HN 0.430 nan 8.370 nan 0.000 0.429 462 L N 0.770 122.086 121.223 0.155 0.000 2.505 462 L HA 0.377 4.717 4.340 -0.000 0.000 0.259 462 L C -2.008 174.797 176.870 -0.109 0.000 0.952 462 L CA -0.584 54.255 54.840 -0.002 0.000 0.840 462 L CB 2.570 44.681 42.059 0.087 0.000 1.358 462 L HN 0.162 nan 8.230 nan 0.000 0.409 463 D N 1.849 122.037 120.400 -0.353 0.000 2.970 463 D HA 0.648 5.288 4.640 -0.000 0.000 0.230 463 D C -1.394 174.862 176.300 -0.074 0.000 1.276 463 D CA 0.235 54.142 54.000 -0.155 0.000 0.910 463 D CB 2.358 43.104 40.800 -0.090 0.000 1.590 463 D HN 0.710 nan 8.370 nan 0.000 0.551 464 T N -0.375 114.210 114.554 0.051 0.000 2.883 464 T HA 0.721 5.071 4.350 -0.000 0.000 0.301 464 T C -0.057 174.652 174.700 0.016 0.000 1.158 464 T CA -0.765 61.385 62.100 0.083 0.000 1.007 464 T CB 0.902 69.859 68.868 0.149 0.000 1.186 464 T HN 0.640 nan 8.240 nan 0.000 0.499 465 C N 1.042 120.351 119.300 0.015 0.000 2.802 465 C HA 0.852 5.312 4.460 -0.000 0.000 0.307 465 C C 0.190 175.175 174.990 -0.008 0.000 1.222 465 C CA -1.261 57.724 59.018 -0.055 0.000 1.580 465 C CB 0.115 27.863 27.740 0.014 0.000 2.119 465 C HN 1.204 nan 8.230 nan 0.000 0.479 466 I N 2.139 122.708 120.570 -0.001 0.000 2.638 466 I HA 0.393 4.563 4.170 -0.000 0.000 0.286 466 I C -0.150 175.990 176.117 0.037 0.000 1.088 466 I CA -0.184 61.123 61.300 0.012 0.000 1.397 466 I CB 1.298 39.295 38.000 -0.005 0.000 1.414 466 I HN 0.672 nan 8.210 nan 0.000 0.566 467 V N 8.876 128.796 119.914 0.010 0.000 2.356 467 V HA 0.131 4.251 4.120 -0.000 0.000 0.258 467 V C 0.632 176.744 176.094 0.029 0.000 1.065 467 V CA 0.429 62.784 62.300 0.092 0.000 0.935 467 V CB 0.620 32.475 31.823 0.053 0.000 1.061 467 V HN 0.754 nan 8.190 nan 0.000 0.484 468 I N 3.463 124.103 120.570 0.115 0.000 4.228 468 I HA 0.362 4.532 4.170 -0.000 0.000 0.298 468 I C 1.159 177.386 176.117 0.183 0.000 1.206 468 I CA -0.071 61.275 61.300 0.076 0.000 1.322 468 I CB 0.735 38.754 38.000 0.032 0.000 1.411 468 I HN 0.503 nan 8.210 nan 0.000 0.454 469 R N 1.790 122.383 120.500 0.155 0.000 2.312 469 R HA 0.452 4.792 4.340 -0.000 0.000 0.310 469 R C -1.114 175.236 176.300 0.083 0.000 1.064 469 R CA 0.121 56.283 56.100 0.104 0.000 0.983 469 R CB 0.758 31.098 30.300 0.066 0.000 1.139 469 R HN 0.381 nan 8.270 nan 0.000 0.536 470 S N 1.733 117.466 115.700 0.054 0.000 2.703 470 S HA 0.825 5.295 4.470 -0.000 0.000 0.273 470 S C -1.514 172.966 174.600 -0.200 0.000 1.178 470 S CA -0.730 57.433 58.200 -0.062 0.000 0.838 470 S CB 1.574 64.841 63.200 0.113 0.000 1.178 470 S HN 0.565 nan 8.310 nan 0.000 0.494 471 A N 0.182 122.717 122.820 -0.476 0.000 2.427 471 A HA 0.779 5.099 4.320 -0.000 0.000 0.298 471 A C -1.658 175.713 177.584 -0.354 0.000 1.036 471 A CA -0.555 51.195 52.037 -0.477 0.000 0.701 471 A CB 1.493 20.026 19.000 -0.778 0.000 1.250 471 A HN 1.306 nan 8.150 nan 0.000 0.412 472 L N 3.452 124.591 121.223 -0.140 0.000 2.294 472 L HA 0.642 4.982 4.340 -0.000 0.000 0.283 472 L C -0.972 175.905 176.870 0.012 0.000 1.015 472 L CA -0.277 54.539 54.840 -0.039 0.000 0.831 472 L CB 1.414 43.449 42.059 -0.039 0.000 1.217 472 L HN 0.431 nan 8.230 nan 0.000 0.420 473 V N 4.781 124.743 119.914 0.079 0.000 2.407 473 V HA 0.516 4.636 4.120 -0.000 0.000 0.278 473 V C -0.122 176.057 176.094 0.142 0.000 1.037 473 V CA -0.551 61.820 62.300 0.118 0.000 0.900 473 V CB 1.343 33.272 31.823 0.177 0.000 0.983 473 V HN 0.790 nan 8.190 nan 0.000 0.459 474 E N 4.149 124.414 120.200 0.109 0.000 2.281 474 E HA 0.350 4.700 4.350 -0.000 0.000 0.266 474 E C -0.599 176.050 176.600 0.081 0.000 0.893 474 E CA -0.586 55.880 56.400 0.111 0.000 0.798 474 E CB 0.776 30.532 29.700 0.093 0.000 1.245 474 E HN 0.740 nan 8.360 nan 0.000 0.410 475 N N 3.105 121.853 118.700 0.080 0.000 2.738 475 N HA -0.220 4.520 4.740 -0.000 0.000 0.249 475 N C 0.571 176.113 175.510 0.054 0.000 1.047 475 N CA 1.255 54.341 53.050 0.061 0.000 0.707 475 N CB -1.389 37.127 38.487 0.048 0.000 0.937 475 N HN 0.995 nan 8.380 nan 0.000 0.545 476 G N -1.313 107.527 108.800 0.067 0.000 2.189 476 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.267 476 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.267 476 G C -0.003 174.925 174.900 0.046 0.000 0.975 476 G CA 0.631 45.765 45.100 0.056 0.000 0.644 476 G HN 0.473 nan 8.290 nan 0.000 0.537 477 I N 1.056 121.658 120.570 0.053 0.000 2.362 477 I HA 0.672 4.842 4.170 -0.000 0.000 0.289 477 I C 0.581 176.732 176.117 0.058 0.000 0.994 477 I CA -1.134 60.193 61.300 0.044 0.000 1.158 477 I CB 1.166 39.184 38.000 0.030 0.000 1.315 477 I HN 0.286 nan 8.210 nan 0.000 0.451 478 A N 5.069 127.928 122.820 0.064 0.000 2.301 478 A HA 0.715 5.035 4.320 -0.000 0.000 0.312 478 A C 0.053 177.655 177.584 0.030 0.000 1.182 478 A CA -0.291 51.781 52.037 0.058 0.000 0.826 478 A CB 0.446 19.504 19.000 0.096 0.000 1.134 478 A HN 0.670 nan 8.150 nan 0.000 0.501 479 T N 2.209 116.765 114.554 0.002 0.000 2.770 479 T HA 0.473 4.823 4.350 -0.000 0.000 0.283 479 T C -0.588 174.098 174.700 -0.024 0.000 0.988 479 T CA -0.206 61.890 62.100 -0.006 0.000 0.957 479 T CB 0.974 69.827 68.868 -0.025 0.000 0.930 479 T HN 0.389 nan 8.240 nan 0.000 0.443 480 V N 4.696 124.617 119.914 0.012 0.000 2.334 480 V HA 0.375 4.495 4.120 -0.000 0.000 0.281 480 V C 0.128 176.228 176.094 0.010 0.000 1.016 480 V CA -0.723 61.573 62.300 -0.007 0.000 0.832 480 V CB 1.289 33.106 31.823 -0.010 0.000 0.999 480 V HN 0.789 nan 8.190 nan 0.000 0.439 481 Q N 2.804 122.530 119.800 -0.123 0.000 2.230 481 Q HA 0.788 5.128 4.340 -0.000 0.000 0.253 481 Q C -0.464 175.319 176.000 -0.361 0.000 0.919 481 Q CA -0.382 55.209 55.803 -0.353 0.000 0.908 481 Q CB 1.866 30.134 28.738 -0.783 0.000 1.245 481 Q HN 0.918 nan 8.270 nan 0.000 0.437 482 A N 2.014 124.674 122.820 -0.266 0.000 2.455 482 A HA 0.818 5.138 4.320 -0.000 0.000 0.300 482 A C -0.760 176.801 177.584 -0.037 0.000 1.040 482 A CA -0.153 51.838 52.037 -0.076 0.000 0.697 482 A CB 1.738 20.713 19.000 -0.040 0.000 1.265 482 A HN 0.776 nan 8.150 nan 0.000 0.407 483 G N -0.363 108.518 108.800 0.134 0.000 2.788 483 G HA2 0.881 4.841 3.960 -0.000 0.000 0.293 483 G HA3 0.881 4.841 3.960 -0.000 0.000 0.293 483 G C -0.587 174.417 174.900 0.174 0.000 1.305 483 G CA -0.185 45.020 45.100 0.174 0.000 1.005 483 G HN 1.905 nan 8.290 nan 0.000 0.496 484 A N -0.933 122.025 122.820 0.231 0.000 2.427 484 A HA 0.759 5.079 4.320 -0.000 0.000 0.298 484 A C 0.084 177.775 177.584 0.179 0.000 1.036 484 A CA -0.033 52.131 52.037 0.212 0.000 0.701 484 A CB 1.526 20.700 19.000 0.290 0.000 1.250 484 A HN 1.616 nan 8.150 nan 0.000 0.412 485 G N 2.113 110.993 108.800 0.135 0.000 2.360 485 G HA2 0.489 4.449 3.960 -0.000 0.000 0.279 485 G HA3 0.489 4.449 3.960 -0.000 0.000 0.279 485 G C -0.190 174.767 174.900 0.095 0.000 1.189 485 G CA -0.121 45.044 45.100 0.110 0.000 0.941 485 G HN 0.511 nan 8.290 nan 0.000 0.445 486 I N 3.462 124.079 120.570 0.079 0.000 2.336 486 I HA 0.337 4.507 4.170 -0.000 0.000 0.292 486 I C 0.624 176.771 176.117 0.050 0.000 0.991 486 I CA -0.653 60.678 61.300 0.051 0.000 1.227 486 I CB 0.878 38.885 38.000 0.012 0.000 1.366 486 I HN 0.319 nan 8.210 nan 0.000 0.466 487 V N 4.464 124.408 119.914 0.050 0.000 3.155 487 V HA 0.475 4.595 4.120 -0.000 0.000 0.313 487 V C 1.015 177.135 176.094 0.044 0.000 1.162 487 V CA -0.847 61.488 62.300 0.058 0.000 1.048 487 V CB 1.842 33.706 31.823 0.068 0.000 1.092 487 V HN 0.567 nan 8.190 nan 0.000 0.447 488 L N 1.717 122.971 121.223 0.051 0.000 2.054 488 L HA -0.192 4.148 4.340 -0.000 0.000 0.220 488 L C 1.590 178.477 176.870 0.028 0.000 1.081 488 L CA 3.045 57.909 54.840 0.040 0.000 0.780 488 L CB -0.846 41.241 42.059 0.048 0.000 0.893 488 L HN 1.112 nan 8.230 nan 0.000 0.438 489 D N -1.936 118.484 120.400 0.032 0.000 2.587 489 D HA 0.143 4.783 4.640 -0.000 0.000 0.233 489 D C 0.274 176.591 176.300 0.028 0.000 1.213 489 D CA -0.153 53.863 54.000 0.027 0.000 0.827 489 D CB -0.283 40.533 40.800 0.028 0.000 1.006 489 D HN 0.142 nan 8.370 nan 0.000 0.490 490 S N -0.244 115.472 115.700 0.027 0.000 2.576 490 S HA 0.260 4.730 4.470 -0.000 0.000 0.276 490 S C 0.159 174.771 174.600 0.021 0.000 1.339 490 S CA -0.701 57.517 58.200 0.030 0.000 1.039 490 S CB 1.518 64.736 63.200 0.029 0.000 0.902 490 S HN 0.165 nan 8.310 nan 0.000 0.516 491 V N 5.831 125.763 119.914 0.031 0.000 2.318 491 V HA 0.177 4.297 4.120 -0.000 0.000 0.271 491 V C -1.565 174.548 176.094 0.033 0.000 1.030 491 V CA -1.580 60.736 62.300 0.028 0.000 0.844 491 V CB 0.787 32.630 31.823 0.033 0.000 1.015 491 V HN 0.671 nan 8.190 nan 0.000 0.460 492 P HA -0.308 nan 4.420 nan 0.000 0.221 492 P C 1.726 179.065 177.300 0.065 0.000 1.160 492 P CA 1.468 64.570 63.100 0.002 0.000 0.933 492 P CB 0.297 31.985 31.700 -0.018 0.000 0.793 493 Q N -0.783 119.055 119.800 0.064 0.000 2.119 493 Q HA -0.094 4.246 4.340 -0.000 0.000 0.201 493 Q C 2.126 178.186 176.000 0.100 0.000 0.972 493 Q CA 1.991 57.846 55.803 0.086 0.000 0.847 493 Q CB -1.028 27.746 28.738 0.060 0.000 0.903 493 Q HN 0.126 nan 8.270 nan 0.000 0.433 494 S N 0.580 116.330 115.700 0.084 0.000 2.368 494 S HA -0.105 4.365 4.470 -0.000 0.000 0.224 494 S C 1.508 176.177 174.600 0.115 0.000 1.029 494 S CA 1.202 59.452 58.200 0.083 0.000 0.988 494 S CB -0.216 63.023 63.200 0.066 0.000 0.838 494 S HN 0.430 nan 8.310 nan 0.000 0.462 495 E N 1.595 121.885 120.200 0.150 0.000 2.268 495 E HA 0.020 4.370 4.350 -0.000 0.000 0.195 495 E C 2.136 178.942 176.600 0.343 0.000 0.995 495 E CA 0.820 57.356 56.400 0.226 0.000 0.836 495 E CB -0.410 29.424 29.700 0.224 0.000 0.763 495 E HN 0.511 nan 8.360 nan 0.000 0.491 496 A N 1.678 124.700 122.820 0.338 0.000 1.897 496 A HA -0.150 4.170 4.320 -0.000 0.000 0.215 496 A C 1.801 179.450 177.584 0.107 0.000 1.181 496 A CA 1.371 53.588 52.037 0.299 0.000 0.620 496 A CB -0.167 19.017 19.000 0.306 0.000 0.821 496 A HN 0.043 nan 8.150 nan 0.000 0.443 497 D N -0.478 119.984 120.400 0.104 0.000 2.224 497 D HA -0.088 4.552 4.640 -0.000 0.000 0.205 497 D C 1.721 178.045 176.300 0.040 0.000 0.965 497 D CA 0.664 54.701 54.000 0.062 0.000 0.852 497 D CB -0.136 40.696 40.800 0.055 0.000 0.947 497 D HN 0.336 nan 8.370 nan 0.000 0.494 498 E N 0.539 120.776 120.200 0.062 0.000 2.077 498 E HA -0.126 4.224 4.350 -0.000 0.000 0.193 498 E C 2.288 178.896 176.600 0.014 0.000 0.989 498 E CA 1.282 57.711 56.400 0.049 0.000 0.800 498 E CB -0.384 29.367 29.700 0.085 0.000 0.746 498 E HN 0.430 nan 8.360 nan 0.000 0.452 499 T N -0.842 113.713 114.554 0.002 0.000 2.759 499 T HA -0.145 4.205 4.350 -0.000 0.000 0.269 499 T C 1.934 176.572 174.700 -0.102 0.000 1.042 499 T CA 1.142 63.217 62.100 -0.042 0.000 1.140 499 T CB -0.241 68.533 68.868 -0.158 0.000 0.864 499 T HN 0.111 nan 8.240 nan 0.000 0.455 500 R N 1.349 121.803 120.500 -0.077 0.000 2.073 500 R HA 0.022 4.362 4.340 -0.000 0.000 0.234 500 R C 2.654 178.808 176.300 -0.244 0.000 1.134 500 R CA 1.479 57.439 56.100 -0.232 0.000 0.952 500 R CB -0.495 29.777 30.300 -0.047 0.000 0.850 500 R HN 0.428 nan 8.270 nan 0.000 0.433 501 N N 1.169 119.799 118.700 -0.117 0.000 2.166 501 N HA -0.148 4.592 4.740 -0.000 0.000 0.186 501 N C 1.472 176.923 175.510 -0.098 0.000 1.019 501 N CA 1.289 54.287 53.050 -0.088 0.000 0.856 501 N CB -0.063 38.403 38.487 -0.034 0.000 0.993 501 N HN 0.296 nan 8.380 nan 0.000 0.426 502 K N 0.624 120.969 120.400 -0.091 0.000 2.211 502 K HA 0.075 4.395 4.320 -0.000 0.000 0.203 502 K C 1.853 178.384 176.600 -0.114 0.000 1.050 502 K CA 0.920 57.168 56.287 -0.065 0.000 0.945 502 K CB 0.050 32.540 32.500 -0.016 0.000 0.732 502 K HN 0.111 nan 8.250 nan 0.000 0.451 503 A N 1.347 124.023 122.820 -0.241 0.000 2.123 503 A HA -0.060 4.260 4.320 -0.000 0.000 0.214 503 A C 1.984 179.416 177.584 -0.253 0.000 1.152 503 A CA 0.502 52.351 52.037 -0.313 0.000 0.728 503 A CB -0.292 18.292 19.000 -0.693 0.000 0.814 503 A HN 0.194 nan 8.150 nan 0.000 0.464 504 R N 0.240 120.606 120.500 -0.223 0.000 2.113 504 R HA -0.217 4.123 4.340 -0.000 0.000 0.244 504 R C 2.198 178.443 176.300 -0.092 0.000 1.142 504 R CA 1.876 57.886 56.100 -0.150 0.000 0.953 504 R CB -0.493 29.738 30.300 -0.116 0.000 0.860 504 R HN 0.404 nan 8.270 nan 0.000 0.438 505 A N 0.108 122.885 122.820 -0.073 0.000 1.917 505 A HA -0.157 4.163 4.320 -0.000 0.000 0.219 505 A C 2.292 179.862 177.584 -0.022 0.000 1.182 505 A CA 2.014 54.023 52.037 -0.047 0.000 0.633 505 A CB -0.590 18.388 19.000 -0.036 0.000 0.819 505 A HN 0.274 nan 8.150 nan 0.000 0.448 506 V N -0.242 119.662 119.914 -0.016 0.000 2.407 506 V HA -0.170 3.950 4.120 -0.000 0.000 0.245 506 V C 2.521 178.641 176.094 0.044 0.000 1.041 506 V CA 1.589 63.911 62.300 0.036 0.000 1.040 506 V CB -0.752 31.074 31.823 0.006 0.000 0.671 506 V HN 0.548 nan 8.190 nan 0.000 0.455 507 L N -0.083 121.130 121.223 -0.016 0.000 2.042 507 L HA -0.216 4.124 4.340 -0.000 0.000 0.210 507 L C 2.731 179.613 176.870 0.021 0.000 1.076 507 L CA 1.970 56.809 54.840 -0.003 0.000 0.749 507 L CB -0.549 41.469 42.059 -0.069 0.000 0.893 507 L HN 0.273 nan 8.230 nan 0.000 0.432 508 R N 0.066 120.564 120.500 -0.004 0.000 2.115 508 R HA -0.114 4.226 4.340 -0.000 0.000 0.226 508 R C 2.285 178.590 176.300 0.008 0.000 1.100 508 R CA 1.152 57.250 56.100 -0.003 0.000 0.980 508 R CB -0.126 30.157 30.300 -0.029 0.000 0.875 508 R HN 0.329 nan 8.270 nan 0.000 0.445 509 A N 0.737 123.568 122.820 0.019 0.000 1.929 509 A HA -0.065 4.255 4.320 -0.000 0.000 0.216 509 A C 2.050 179.656 177.584 0.036 0.000 1.176 509 A CA 1.005 53.050 52.037 0.012 0.000 0.628 509 A CB -0.318 18.705 19.000 0.037 0.000 0.816 509 A HN 0.324 nan 8.150 nan 0.000 0.444 510 I N -0.385 120.254 120.570 0.115 0.000 2.202 510 I HA -0.232 3.938 4.170 -0.000 0.000 0.242 510 I C 3.008 179.235 176.117 0.182 0.000 1.091 510 I CA 0.943 62.354 61.300 0.186 0.000 1.368 510 I CB -0.400 37.758 38.000 0.263 0.000 1.058 510 I HN 0.352 nan 8.210 nan 0.000 0.410 511 A N 1.184 124.085 122.820 0.135 0.000 1.851 511 A HA -0.278 4.042 4.320 -0.000 0.000 0.216 511 A C 2.473 180.111 177.584 0.089 0.000 1.195 511 A CA 2.959 55.069 52.037 0.122 0.000 0.622 511 A CB -1.455 17.590 19.000 0.075 0.000 0.831 511 A HN 0.525 nan 8.150 nan 0.000 0.444 512 T N -1.835 112.743 114.554 0.039 0.000 2.759 512 T HA -0.016 4.334 4.350 -0.000 0.000 0.269 512 T C 1.882 176.583 174.700 0.001 0.000 1.042 512 T CA 1.894 64.009 62.100 0.026 0.000 1.140 512 T CB -0.663 68.198 68.868 -0.012 0.000 0.864 512 T HN 0.672 nan 8.240 nan 0.000 0.455 513 A N 1.452 124.211 122.820 -0.102 0.000 1.969 513 A HA -0.086 4.234 4.320 -0.000 0.000 0.218 513 A C 2.011 179.357 177.584 -0.397 0.000 1.169 513 A CA 1.134 53.014 52.037 -0.263 0.000 0.635 513 A CB -0.709 18.064 19.000 -0.379 0.000 0.810 513 A HN 0.740 nan 8.150 nan 0.000 0.445 514 H N -1.718 117.317 119.070 -0.058 0.000 2.505 514 H HA 0.249 4.805 4.556 -0.000 0.000 0.289 514 H C 0.408 175.713 175.328 -0.038 0.000 1.052 514 H CA 0.482 56.467 56.048 -0.105 0.000 1.156 514 H CB -0.375 29.373 29.762 -0.023 0.000 1.507 514 H HN 0.791 nan 8.280 nan 0.000 0.548 515 H N -0.159 118.948 119.070 0.062 0.000 1.452 515 H HA -0.237 4.319 4.556 -0.000 0.000 0.090 515 H C 1.142 176.496 175.328 0.043 0.000 0.626 515 H CA 0.264 56.334 56.048 0.038 0.000 1.901 515 H CB -1.050 28.734 29.762 0.037 0.000 2.257 515 H HN 0.457 nan 8.280 nan 0.000 0.961 516 A N 0.000 122.943 122.820 0.206 0.000 2.254 516 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 516 A CA 0.000 52.101 52.037 0.106 0.000 0.836 516 A CB 0.000 19.049 19.000 0.082 0.000 0.831 516 A HN 0.000 nan 8.150 nan 0.000 0.486