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 3fex_1_A DATA FIRST_RESID 2 DATA SEQUENCE SRRRHSDEND GGQPHKRRKT SDANETEDHL ESLICKVGEX XXCSLESNLE DATA SEQUENCE GLAGVLEADL PNYKSKILRL LCTVARLLPE KLTIYTTLVG LLNARNYNFG DATA SEQUENCE GEFVEAMIRQ LKESLKANNY NEAVYLVRFL SDLVNCHVIA APSMVAMFEN DATA SEQUENCE FVSVTQEXXV PQVRRDWYVY AFLSSLPWVG KELYEKKDAE MDRIFANTES DATA SEQUENCE YLKRRQKTHV PMLQVWTADK PHPQEEYLDC LWAQIQKLKK DRWQERHILR DATA SEQUENCE PYLAFDSILC EALQHNLPPF TPPPHTEDSV YPMPRVIFRM FDYTDDPEGP DATA SEQUENCE VMPGSHSVER FVIEENLHCI IKSHWKERKT CAAQLVSYPG KNKIPLNYHI DATA SEQUENCE VEVIFAELFQ LPAPPHIDVM YTTLLIELCK LQPGSLPQVL AQATEMLYMR DATA SEQUENCE LDTMNTTCVD RFINWFSHHL SNFQFRWSWE DWSDCLSQDP ESPKPKFVRE DATA SEQUENCE VLEKCMRLSY HQRILDIVPP TFSALCPANP TCIYKYGDES SNSLPGHSVA DATA SEQUENCE LCLAVAFKSK ATNDEIFSIL KDVPXXXXXX XXXXXXXFNP LKIEVFVQTL DATA SEQUENCE LHLAAKSFSH SFSALAKFHE VFKTLAESDE GKLHVLRVMF EVWRNHPQMI DATA SEQUENCE AVLVDKMIRT QIVDCAAVAN WIFSSELSRD FTRLFVWEIL HSTIRKMNKH DATA SEQUENCE VLKIQKELEE AKEKLAXXXX XXXXXXXXXX XRKDGVLEEQ IERLQEKVES DATA SEQUENCE AQSEQKNLFL VIFQRFIMIL TEHLVRCETD GTSVLTPWYK NCIERLQQIF DATA SEQUENCE LQHHQIIQQY MVTLENLLFT AELDPHILAV FQQFCALQA 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 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.600 174.600 0.000 0.000 1.055 2 S CA 0.000 58.200 58.200 -0.000 0.000 1.107 2 S CB 0.000 63.200 63.200 0.001 0.000 0.593 3 R N 1.884 122.386 120.500 0.002 0.000 2.537 3 R HA 0.485 4.830 4.340 0.009 0.000 0.280 3 R C -0.389 175.914 176.300 0.004 0.000 1.058 3 R CA 0.516 56.619 56.100 0.004 0.000 1.057 3 R CB 0.397 30.701 30.300 0.007 0.000 0.973 3 R HN 0.275 nan 8.270 nan 0.000 0.438 4 R N 2.009 122.511 120.500 0.005 0.000 2.750 4 R HA 0.357 4.702 4.340 0.009 0.000 0.281 4 R C -0.271 176.038 176.300 0.014 0.000 0.972 4 R CA -1.008 55.094 56.100 0.003 0.000 0.912 4 R CB 2.280 32.574 30.300 -0.010 0.000 1.187 4 R HN 0.439 nan 8.270 nan 0.000 0.464 5 R N 0.731 121.243 120.500 0.020 0.000 2.649 5 R HA 0.091 4.436 4.340 0.009 0.000 0.270 5 R C 0.265 176.598 176.300 0.056 0.000 1.105 5 R CA -0.604 55.523 56.100 0.045 0.000 1.193 5 R CB 0.331 30.658 30.300 0.044 0.000 1.120 5 R HN 0.493 nan 8.270 nan 0.000 0.561 6 H N 0.943 120.016 119.070 0.004 0.000 3.046 6 H HA 0.005 4.566 4.556 0.009 0.000 0.303 6 H C -0.429 174.901 175.328 0.005 0.000 1.002 6 H CA 0.238 56.288 56.048 0.004 0.000 1.460 6 H CB 0.590 30.355 29.762 0.004 0.000 1.493 6 H HN 0.438 nan 8.280 nan 0.000 0.559 7 S N 4.520 120.011 115.700 -0.348 0.000 2.569 7 S HA -0.037 4.438 4.470 0.009 0.000 0.274 7 S C -0.389 174.173 174.600 -0.064 0.000 1.353 7 S CA -0.132 57.956 58.200 -0.186 0.000 1.023 7 S CB 0.273 63.348 63.200 -0.208 0.000 0.876 7 S HN 0.828 nan 8.310 nan 0.000 0.540 8 D N 0.577 120.979 120.400 0.003 0.000 10.820 8 D HA -0.135 4.510 4.640 0.009 0.000 0.345 8 D C -0.330 176.030 176.300 0.099 0.000 3.128 8 D CA 0.224 54.256 54.000 0.055 0.000 2.682 8 D CB -0.035 40.807 40.800 0.070 0.000 1.197 8 D HN 0.685 nan 8.370 nan 0.000 0.939 9 E N 0.773 121.016 120.200 0.071 0.000 2.303 9 E HA 0.086 4.441 4.350 0.009 0.000 0.211 9 E C 0.262 176.902 176.600 0.067 0.000 1.223 9 E CA -0.167 56.272 56.400 0.065 0.000 1.344 9 E CB 0.019 29.745 29.700 0.044 0.000 1.299 9 E HN 0.232 nan 8.360 nan 0.000 0.441 10 N N 0.628 119.377 118.700 0.083 0.000 2.443 10 N HA 0.154 4.899 4.740 0.009 0.000 0.294 10 N C -0.023 175.495 175.510 0.013 0.000 1.289 10 N CA 0.388 53.470 53.050 0.053 0.000 0.966 10 N CB 0.716 39.235 38.487 0.053 0.000 1.122 10 N HN 0.214 nan 8.380 nan 0.000 0.569 11 D N -3.259 117.123 120.400 -0.029 0.000 2.912 11 D HA 0.185 4.830 4.640 0.009 0.000 0.297 11 D C 0.750 176.995 176.300 -0.093 0.000 1.636 11 D CA 0.343 54.302 54.000 -0.068 0.000 0.868 11 D CB -0.446 40.342 40.800 -0.021 0.000 1.484 11 D HN 0.699 nan 8.370 nan 0.000 0.423 12 G N 0.113 108.857 108.800 -0.094 0.000 2.796 12 G HA2 0.191 4.156 3.960 0.009 0.000 0.198 12 G HA3 0.191 4.156 3.960 0.009 0.000 0.198 12 G C 1.088 175.949 174.900 -0.064 0.000 1.062 12 G CA 0.539 45.587 45.100 -0.086 0.000 0.752 12 G HN 1.347 nan 8.290 nan 0.000 0.487 13 G N -0.018 108.740 108.800 -0.070 0.000 2.255 13 G HA2 0.033 3.999 3.960 0.009 0.000 0.239 13 G HA3 0.033 3.999 3.960 0.009 0.000 0.239 13 G C -0.067 174.778 174.900 -0.091 0.000 1.083 13 G CA 0.956 46.020 45.100 -0.061 0.000 0.826 13 G HN 0.944 nan 8.290 nan 0.000 0.493 14 Q N -0.746 118.962 119.800 -0.155 0.000 2.241 14 Q HA 0.558 4.903 4.340 0.009 0.000 0.262 14 Q C -2.326 173.526 176.000 -0.247 0.000 1.014 14 Q CA -1.807 53.901 55.803 -0.158 0.000 0.885 14 Q CB 0.907 29.565 28.738 -0.134 0.000 1.311 14 Q HN 0.228 nan 8.270 nan 0.000 0.461 15 P HA 0.107 nan 4.420 nan 0.000 0.266 15 P C -0.169 177.039 177.300 -0.153 0.000 1.215 15 P CA 0.221 63.250 63.100 -0.118 0.000 0.763 15 P CB 0.352 32.026 31.700 -0.044 0.000 0.806 16 H N 1.142 120.210 119.070 -0.003 0.000 2.457 16 H HA 0.066 4.627 4.556 0.007 0.000 0.294 16 H C 0.153 175.480 175.328 -0.002 0.000 1.064 16 H CA 1.165 57.211 56.048 -0.003 0.000 1.330 16 H CB 0.177 29.938 29.762 -0.002 0.000 1.395 16 H HN 0.329 nan 8.280 nan 0.000 0.541 17 K N 0.338 120.802 120.400 0.108 0.000 2.501 17 K HA 0.426 4.751 4.320 0.009 0.000 0.252 17 K C -0.722 175.899 176.600 0.035 0.000 0.934 17 K CA -0.680 55.644 56.287 0.061 0.000 0.797 17 K CB 3.053 35.588 32.500 0.059 0.000 1.270 17 K HN -0.033 nan 8.250 nan 0.000 0.431 18 R N 1.402 121.915 120.500 0.022 0.000 2.668 18 R HA 0.445 4.790 4.340 0.009 0.000 0.279 18 R C -0.592 175.717 176.300 0.015 0.000 0.976 18 R CA -0.936 55.172 56.100 0.014 0.000 0.978 18 R CB 1.857 32.162 30.300 0.007 0.000 1.133 18 R HN 0.457 nan 8.270 nan 0.000 0.484 19 R N 1.671 122.179 120.500 0.014 0.000 2.476 19 R HA 0.154 4.500 4.340 0.009 0.000 0.305 19 R C -0.887 175.420 176.300 0.013 0.000 0.965 19 R CA -0.598 55.510 56.100 0.013 0.000 0.867 19 R CB 1.237 31.545 30.300 0.013 0.000 1.176 19 R HN 0.399 nan 8.270 nan 0.000 0.447 20 K N 2.792 123.200 120.400 0.013 0.000 2.351 20 K HA -0.022 4.303 4.320 0.009 0.000 0.287 20 K C 0.406 177.016 176.600 0.015 0.000 1.068 20 K CA 0.356 56.653 56.287 0.015 0.000 0.998 20 K CB 0.834 33.343 32.500 0.015 0.000 0.968 20 K HN 0.575 nan 8.250 nan 0.000 0.464 21 T N 1.236 115.801 114.554 0.018 0.000 3.051 21 T HA 0.004 4.359 4.350 0.009 0.000 0.255 21 T C 0.514 175.228 174.700 0.022 0.000 1.085 21 T CA 0.989 63.099 62.100 0.018 0.000 1.109 21 T CB 0.179 69.058 68.868 0.017 0.000 0.921 21 T HN 0.750 nan 8.240 nan 0.000 0.488 22 S N -0.662 115.056 115.700 0.030 0.000 2.998 22 S HA 0.720 5.195 4.470 0.009 0.000 0.321 22 S C -1.741 172.887 174.600 0.046 0.000 1.171 22 S CA -0.753 57.472 58.200 0.040 0.000 0.882 22 S CB 2.157 65.393 63.200 0.059 0.000 1.301 22 S HN 0.183 nan 8.310 nan 0.000 0.629 23 D N -2.106 118.333 120.400 0.063 0.000 2.622 23 D HA 0.744 5.389 4.640 0.009 0.000 0.255 23 D C 0.238 176.600 176.300 0.102 0.000 1.246 23 D CA 0.023 54.062 54.000 0.065 0.000 0.795 23 D CB 1.643 42.464 40.800 0.036 0.000 1.369 23 D HN 0.695 nan 8.370 nan 0.000 0.425 24 A N 1.554 124.437 122.820 0.106 0.000 1.944 24 A HA 0.118 4.443 4.320 0.009 0.000 0.209 24 A C 1.558 179.165 177.584 0.039 0.000 1.328 24 A CA 0.542 52.666 52.037 0.146 0.000 0.693 24 A CB -0.527 18.592 19.000 0.200 0.000 0.994 24 A HN 0.548 nan 8.150 nan 0.000 0.485 25 N N 0.522 119.244 118.700 0.036 0.000 2.018 25 N HA -0.202 4.544 4.740 0.009 0.000 0.196 25 N C 1.596 177.103 175.510 -0.006 0.000 1.043 25 N CA 1.760 54.817 53.050 0.010 0.000 0.856 25 N CB -0.552 37.944 38.487 0.015 0.000 1.042 25 N HN 0.691 nan 8.380 nan 0.000 0.423 26 E N -0.382 119.819 120.200 0.001 0.000 2.331 26 E HA -0.119 4.236 4.350 0.009 0.000 0.199 26 E C 0.893 177.492 176.600 -0.002 0.000 1.008 26 E CA 1.003 57.402 56.400 -0.002 0.000 0.843 26 E CB 0.120 29.817 29.700 -0.004 0.000 0.761 26 E HN 0.325 nan 8.360 nan 0.000 0.507 27 T N 0.265 114.806 114.554 -0.022 0.000 2.901 27 T HA -0.021 4.334 4.350 0.009 0.000 0.252 27 T C 1.200 175.833 174.700 -0.111 0.000 1.035 27 T CA 0.684 62.754 62.100 -0.049 0.000 1.142 27 T CB -0.010 68.795 68.868 -0.105 0.000 0.869 27 T HN 0.209 nan 8.240 nan 0.000 0.442 28 E N 1.018 121.118 120.200 -0.167 0.000 2.516 28 E HA -0.074 4.281 4.350 0.009 0.000 0.199 28 E C 0.892 177.448 176.600 -0.074 0.000 1.069 28 E CA 0.483 56.782 56.400 -0.167 0.000 0.876 28 E CB 0.030 29.646 29.700 -0.141 0.000 0.843 28 E HN 0.405 nan 8.360 nan 0.000 0.530 29 D N -0.994 119.389 120.400 -0.028 0.000 2.355 29 D HA -0.063 4.582 4.640 0.009 0.000 0.206 29 D C 1.477 177.803 176.300 0.044 0.000 1.010 29 D CA 0.615 54.616 54.000 0.003 0.000 0.875 29 D CB 0.005 40.812 40.800 0.011 0.000 0.966 29 D HN 0.280 nan 8.370 nan 0.000 0.512 30 H N 0.252 119.286 119.070 -0.060 0.000 2.497 30 H HA 0.156 4.719 4.556 0.011 0.000 0.282 30 H C 1.881 177.180 175.328 -0.049 0.000 1.003 30 H CA 0.302 56.322 56.048 -0.047 0.000 1.307 30 H CB 0.398 30.133 29.762 -0.046 0.000 1.437 30 H HN 0.057 nan 8.280 nan 0.000 0.544 31 L N 0.666 121.793 121.223 -0.161 0.000 2.072 31 L HA -0.114 4.232 4.340 0.009 0.000 0.205 31 L C 2.654 179.448 176.870 -0.126 0.000 1.079 31 L CA 1.262 55.986 54.840 -0.193 0.000 0.752 31 L CB -0.332 41.627 42.059 -0.167 0.000 0.906 31 L HN 0.378 nan 8.230 nan 0.000 0.436 32 E N -0.279 119.871 120.200 -0.083 0.000 2.077 32 E HA -0.258 4.098 4.350 0.009 0.000 0.193 32 E C 2.303 178.879 176.600 -0.040 0.000 0.989 32 E CA 1.495 57.864 56.400 -0.052 0.000 0.800 32 E CB 0.031 29.708 29.700 -0.038 0.000 0.746 32 E HN 0.267 nan 8.360 nan 0.000 0.452 33 S N -0.006 115.671 115.700 -0.039 0.000 2.370 33 S HA -0.136 4.339 4.470 0.009 0.000 0.226 33 S C 2.006 176.588 174.600 -0.031 0.000 1.033 33 S CA 1.135 59.326 58.200 -0.015 0.000 1.011 33 S CB -0.249 62.966 63.200 0.026 0.000 0.852 33 S HN 0.340 nan 8.310 nan 0.000 0.457 34 L N 0.810 121.970 121.223 -0.105 0.000 2.056 34 L HA 0.020 4.365 4.340 0.009 0.000 0.207 34 L C 2.243 179.110 176.870 -0.005 0.000 1.078 34 L CA 1.112 55.898 54.840 -0.090 0.000 0.749 34 L CB -0.454 41.492 42.059 -0.188 0.000 0.901 34 L HN 0.355 nan 8.230 nan 0.000 0.433 35 I N -1.073 119.499 120.570 0.003 0.000 2.850 35 I HA -0.281 3.894 4.170 0.009 0.000 0.266 35 I C 2.077 178.296 176.117 0.170 0.000 1.257 35 I CA 0.548 61.901 61.300 0.088 0.000 1.465 35 I CB -0.277 37.737 38.000 0.022 0.000 1.091 35 I HN 0.440 nan 8.210 nan 0.000 0.467 36 C N 0.108 119.469 119.300 0.101 0.000 2.598 36 C HA 0.024 4.490 4.460 0.009 0.000 0.291 36 C C 2.479 177.551 174.990 0.137 0.000 1.437 36 C CA -0.055 59.041 59.018 0.130 0.000 1.864 36 C CB -0.543 27.232 27.740 0.057 0.000 2.068 36 C HN 0.343 nan 8.230 nan 0.000 0.618 37 K N 1.110 121.554 120.400 0.073 0.000 2.442 37 K HA -0.051 4.274 4.320 0.009 0.000 0.198 37 K C 0.730 177.351 176.600 0.034 0.000 1.044 37 K CA 0.340 56.657 56.287 0.050 0.000 0.948 37 K CB -0.308 32.211 32.500 0.032 0.000 0.762 37 K HN 0.371 nan 8.250 nan 0.000 0.472 38 V N 1.302 121.238 119.914 0.038 0.000 2.475 38 V HA 0.125 4.250 4.120 0.009 0.000 0.292 38 V C 0.702 176.756 176.094 -0.066 0.000 1.003 38 V CA 1.270 63.560 62.300 -0.016 0.000 1.120 38 V CB -0.253 31.555 31.823 -0.025 0.000 0.937 38 V HN 0.687 nan 8.190 nan 0.000 0.476 39 G N 3.915 112.678 108.800 -0.063 0.000 2.167 39 G HA2 -0.140 3.825 3.960 0.009 0.000 0.194 39 G HA3 -0.140 3.825 3.960 0.009 0.000 0.194 39 G C -0.168 174.708 174.900 -0.039 0.000 1.027 39 G CA 0.195 45.249 45.100 -0.075 0.000 0.717 39 G HN 0.791 nan 8.290 nan 0.000 0.501 45 S N 0.265 115.963 115.700 -0.005 0.000 2.652 45 S HA 0.516 4.992 4.470 0.009 0.000 0.267 45 S C 0.599 175.198 174.600 -0.001 0.000 1.201 45 S CA 0.011 58.207 58.200 -0.007 0.000 0.996 45 S CB 0.234 63.429 63.200 -0.008 0.000 1.054 45 S HN 0.899 nan 8.310 nan 0.000 0.561 46 L N 0.967 122.190 121.223 -0.000 0.000 2.071 46 L HA 0.122 4.468 4.340 0.009 0.000 0.201 46 L C 2.478 179.381 176.870 0.055 0.000 1.076 46 L CA 1.657 56.499 54.840 0.002 0.000 0.755 46 L CB -1.278 40.770 42.059 -0.019 0.000 0.915 46 L HN 0.832 nan 8.230 nan 0.000 0.445 47 E N -0.830 119.438 120.200 0.113 0.000 2.401 47 E HA -0.174 4.181 4.350 0.009 0.000 0.199 47 E C 2.018 178.752 176.600 0.225 0.000 1.023 47 E CA 1.047 57.621 56.400 0.290 0.000 0.859 47 E CB -0.620 29.209 29.700 0.215 0.000 0.780 47 E HN 0.546 nan 8.360 nan 0.000 0.523 48 S N 1.234 116.990 115.700 0.094 0.000 2.341 48 S HA -0.066 4.410 4.470 0.009 0.000 0.216 48 S C 1.703 176.339 174.600 0.060 0.000 1.034 48 S CA 0.682 58.919 58.200 0.061 0.000 0.964 48 S CB -0.047 63.167 63.200 0.023 0.000 0.882 48 S HN 0.167 nan 8.310 nan 0.000 0.469 49 N N 1.737 120.460 118.700 0.038 0.000 2.120 49 N HA 0.010 4.755 4.740 0.009 0.000 0.188 49 N C 1.853 177.371 175.510 0.014 0.000 1.024 49 N CA 0.983 54.044 53.050 0.018 0.000 0.852 49 N CB -0.708 37.779 38.487 0.001 0.000 1.003 49 N HN 0.376 nan 8.380 nan 0.000 0.424 50 L N 1.296 122.529 121.223 0.017 0.000 1.989 50 L HA -0.188 4.157 4.340 0.009 0.000 0.211 50 L C 2.510 179.376 176.870 -0.006 0.000 1.071 50 L CA 1.414 56.239 54.840 -0.026 0.000 0.749 50 L CB -0.415 41.601 42.059 -0.072 0.000 0.890 50 L HN 0.260 nan 8.230 nan 0.000 0.431 51 E N -0.153 120.108 120.200 0.101 0.000 2.118 51 E HA -0.202 4.153 4.350 0.009 0.000 0.195 51 E C 2.099 178.734 176.600 0.059 0.000 0.992 51 E CA 1.196 57.678 56.400 0.137 0.000 0.804 51 E CB -0.143 29.713 29.700 0.260 0.000 0.741 51 E HN 0.498 nan 8.360 nan 0.000 0.458 52 G N 1.201 110.027 108.800 0.043 0.000 2.404 52 G HA2 -0.252 3.713 3.960 0.009 0.000 0.215 52 G HA3 -0.252 3.713 3.960 0.009 0.000 0.215 52 G C 1.474 176.373 174.900 -0.001 0.000 1.174 52 G CA 0.710 45.823 45.100 0.021 0.000 0.780 52 G HN 0.305 nan 8.290 nan 0.000 0.537 53 L N 1.425 122.641 121.223 -0.013 0.000 2.201 53 L HA 0.218 4.563 4.340 0.009 0.000 0.212 53 L C 2.989 179.830 176.870 -0.048 0.000 1.105 53 L CA 1.613 56.434 54.840 -0.032 0.000 0.775 53 L CB -0.621 41.419 42.059 -0.032 0.000 0.913 53 L HN 0.244 nan 8.230 nan 0.000 0.440 54 A N -0.589 122.201 122.820 -0.050 0.000 1.883 54 A HA -0.114 4.211 4.320 0.009 0.000 0.217 54 A C 2.320 179.856 177.584 -0.081 0.000 1.186 54 A CA 1.739 53.730 52.037 -0.077 0.000 0.624 54 A CB -1.434 17.527 19.000 -0.064 0.000 0.822 54 A HN 0.493 nan 8.150 nan 0.000 0.444 55 G N -1.073 107.700 108.800 -0.045 0.000 2.396 55 G HA2 0.029 3.995 3.960 0.009 0.000 0.214 55 G HA3 0.029 3.995 3.960 0.009 0.000 0.214 55 G C 1.470 176.348 174.900 -0.037 0.000 1.166 55 G CA 0.955 46.032 45.100 -0.038 0.000 0.793 55 G HN 0.293 nan 8.290 nan 0.000 0.533 56 V N 1.111 121.008 119.914 -0.028 0.000 2.392 56 V HA -0.153 3.972 4.120 0.009 0.000 0.249 56 V C 2.889 178.966 176.094 -0.029 0.000 1.059 56 V CA 1.392 63.681 62.300 -0.019 0.000 1.051 56 V CB -0.381 31.430 31.823 -0.020 0.000 0.658 56 V HN 0.331 nan 8.190 nan 0.000 0.455 57 L N -0.333 120.856 121.223 -0.057 0.000 2.093 57 L HA -0.182 4.163 4.340 0.009 0.000 0.208 57 L C 2.592 179.416 176.870 -0.077 0.000 1.085 57 L CA 1.905 56.705 54.840 -0.066 0.000 0.755 57 L CB -0.527 41.472 42.059 -0.100 0.000 0.904 57 L HN 0.435 nan 8.230 nan 0.000 0.435 58 E N 0.709 120.841 120.200 -0.114 0.000 2.110 58 E HA -0.211 4.144 4.350 0.009 0.000 0.193 58 E C 1.917 178.496 176.600 -0.035 0.000 0.988 58 E CA 1.054 57.384 56.400 -0.117 0.000 0.804 58 E CB 0.018 29.645 29.700 -0.120 0.000 0.745 58 E HN 0.434 nan 8.360 nan 0.000 0.458 59 A N 0.332 123.146 122.820 -0.010 0.000 2.255 59 A HA -0.057 4.268 4.320 0.009 0.000 0.206 59 A C 0.622 178.242 177.584 0.059 0.000 1.193 59 A CA 0.841 52.891 52.037 0.021 0.000 0.794 59 A CB 0.100 19.113 19.000 0.022 0.000 0.794 59 A HN 0.199 nan 8.150 nan 0.000 0.481 60 D N -1.467 118.980 120.400 0.078 0.000 2.539 60 D HA 0.187 4.833 4.640 0.009 0.000 0.232 60 D C 1.387 177.815 176.300 0.212 0.000 1.256 60 D CA -0.082 54.029 54.000 0.185 0.000 0.810 60 D CB 0.283 41.194 40.800 0.184 0.000 1.090 60 D HN 0.355 nan 8.370 nan 0.000 0.519 61 L N 0.868 122.155 121.223 0.107 0.000 2.131 61 L HA 0.000 4.346 4.340 0.009 0.000 0.206 61 L C -0.611 176.306 176.870 0.078 0.000 1.087 61 L CA 1.072 55.979 54.840 0.111 0.000 0.767 61 L CB -1.092 41.003 42.059 0.060 0.000 0.917 61 L HN -0.050 nan 8.230 nan 0.000 0.441 62 P HA -0.127 nan 4.420 nan 0.000 0.218 62 P C 0.675 177.933 177.300 -0.069 0.000 1.146 62 P CA 1.294 64.393 63.100 -0.002 0.000 0.813 62 P CB 0.001 31.698 31.700 -0.006 0.000 0.778 63 N N -2.544 116.062 118.700 -0.156 0.000 2.463 63 N HA 0.019 4.764 4.740 0.009 0.000 0.183 63 N C 0.291 175.457 175.510 -0.574 0.000 1.064 63 N CA 0.741 53.517 53.050 -0.457 0.000 0.879 63 N CB -0.104 37.922 38.487 -0.768 0.000 1.148 63 N HN 0.271 nan 8.380 nan 0.000 0.451 64 Y N 0.900 121.230 120.300 0.050 0.000 2.669 64 Y HA 0.379 4.930 4.550 0.001 0.000 0.302 64 Y C 1.534 177.487 175.900 0.088 0.000 1.000 64 Y CA -0.714 57.420 58.100 0.057 0.000 1.222 64 Y CB 0.448 38.939 38.460 0.050 0.000 1.209 64 Y HN -0.122 nan 8.280 nan 0.000 0.571 65 K N 0.073 120.576 120.400 0.171 0.000 2.097 65 K HA -0.174 4.151 4.320 0.009 0.000 0.206 65 K C 2.154 178.854 176.600 0.167 0.000 1.049 65 K CA 1.779 58.187 56.287 0.202 0.000 0.933 65 K CB 0.065 32.656 32.500 0.151 0.000 0.717 65 K HN 0.299 nan 8.250 nan 0.000 0.442 66 S N -0.005 115.765 115.700 0.117 0.000 2.458 66 S HA -0.032 4.443 4.470 0.009 0.000 0.223 66 S C 1.720 176.375 174.600 0.091 0.000 1.019 66 S CA 0.875 59.120 58.200 0.076 0.000 0.937 66 S CB -0.058 63.170 63.200 0.047 0.000 0.788 66 S HN 0.327 nan 8.310 nan 0.000 0.511 67 K N 1.920 122.406 120.400 0.143 0.000 2.044 67 K HA 0.205 4.531 4.320 0.009 0.000 0.204 67 K C 1.758 178.425 176.600 0.112 0.000 1.049 67 K CA 1.396 57.761 56.287 0.130 0.000 0.945 67 K CB -0.745 31.867 32.500 0.188 0.000 0.724 67 K HN 0.411 nan 8.250 nan 0.000 0.440 68 I N 0.678 121.346 120.570 0.164 0.000 2.335 68 I HA -0.244 3.931 4.170 0.009 0.000 0.251 68 I C 1.500 177.724 176.117 0.179 0.000 1.129 68 I CA 0.645 62.046 61.300 0.168 0.000 1.402 68 I CB -0.192 37.956 38.000 0.246 0.000 1.069 68 I HN 0.151 nan 8.210 nan 0.000 0.424 69 L N 0.245 121.565 121.223 0.161 0.000 2.156 69 L HA -0.128 4.218 4.340 0.009 0.000 0.208 69 L C 2.505 179.421 176.870 0.076 0.000 1.095 69 L CA 1.488 56.413 54.840 0.141 0.000 0.770 69 L CB -1.065 41.017 42.059 0.038 0.000 0.914 69 L HN 0.170 nan 8.230 nan 0.000 0.439 70 R N -0.405 120.118 120.500 0.038 0.000 2.073 70 R HA -0.150 4.195 4.340 0.009 0.000 0.234 70 R C 2.250 178.541 176.300 -0.015 0.000 1.134 70 R CA 1.430 57.528 56.100 -0.004 0.000 0.952 70 R CB -0.215 30.085 30.300 0.001 0.000 0.850 70 R HN 0.296 nan 8.270 nan 0.000 0.433 71 L N 0.563 121.788 121.223 0.003 0.000 2.056 71 L HA -0.174 4.171 4.340 0.009 0.000 0.207 71 L C 2.509 179.349 176.870 -0.051 0.000 1.078 71 L CA 1.034 55.856 54.840 -0.030 0.000 0.749 71 L CB -0.393 41.653 42.059 -0.021 0.000 0.901 71 L HN 0.251 nan 8.230 nan 0.000 0.433 72 L N -1.068 120.173 121.223 0.031 0.000 2.017 72 L HA -0.270 4.076 4.340 0.009 0.000 0.208 72 L C 2.747 179.616 176.870 -0.002 0.000 1.073 72 L CA 1.265 56.140 54.840 0.058 0.000 0.745 72 L CB -0.628 41.576 42.059 0.243 0.000 0.894 72 L HN 0.422 nan 8.230 nan 0.000 0.432 73 C N -0.830 118.472 119.300 0.003 0.000 2.429 73 C HA -0.157 4.308 4.460 0.009 0.000 0.277 73 C C 2.957 177.819 174.990 -0.212 0.000 1.262 73 C CA 1.321 60.221 59.018 -0.197 0.000 1.733 73 C CB -0.804 26.790 27.740 -0.243 0.000 2.010 73 C HN 0.529 nan 8.230 nan 0.000 0.483 74 T N 0.806 115.268 114.554 -0.154 0.000 2.674 74 T HA -0.155 4.201 4.350 0.009 0.000 0.265 74 T C 1.802 176.384 174.700 -0.197 0.000 1.039 74 T CA 1.754 63.767 62.100 -0.145 0.000 1.150 74 T CB -0.361 68.444 68.868 -0.105 0.000 0.864 74 T HN 0.327 nan 8.240 nan 0.000 0.427 75 V N 1.641 121.401 119.914 -0.257 0.000 2.568 75 V HA -0.165 3.960 4.120 0.009 0.000 0.253 75 V C 2.691 178.519 176.094 -0.443 0.000 1.072 75 V CA 1.552 63.617 62.300 -0.391 0.000 1.084 75 V CB -1.066 30.392 31.823 -0.609 0.000 0.676 75 V HN 0.533 nan 8.190 nan 0.000 0.469 76 A N 1.002 123.555 122.820 -0.444 0.000 2.016 76 A HA -0.128 4.198 4.320 0.009 0.000 0.217 76 A C 2.332 179.735 177.584 -0.301 0.000 1.162 76 A CA 1.378 53.085 52.037 -0.550 0.000 0.662 76 A CB -0.283 18.088 19.000 -1.048 0.000 0.812 76 A HN 0.707 nan 8.150 nan 0.000 0.450 77 R N -1.028 119.347 120.500 -0.209 0.000 2.282 77 R HA 0.343 4.689 4.340 0.009 0.000 0.195 77 R C 1.146 177.405 176.300 -0.067 0.000 0.909 77 R CA 0.498 56.564 56.100 -0.056 0.000 1.039 77 R CB -0.250 30.034 30.300 -0.028 0.000 1.015 77 R HN 0.395 nan 8.270 nan 0.000 0.513 78 L N 0.668 121.807 121.223 -0.140 0.000 2.515 78 L HA 0.302 4.647 4.340 0.009 0.000 0.223 78 L C 0.643 177.409 176.870 -0.173 0.000 1.079 78 L CA 0.193 54.957 54.840 -0.126 0.000 0.857 78 L CB 0.329 42.329 42.059 -0.098 0.000 1.050 78 L HN 0.099 nan 8.230 nan 0.000 0.476 79 L N 1.419 122.531 121.223 -0.184 0.000 2.637 79 L HA 0.265 4.610 4.340 0.009 0.000 0.241 79 L C -1.674 175.154 176.870 -0.070 0.000 1.398 79 L CA -0.997 53.788 54.840 -0.092 0.000 0.895 79 L CB 0.665 42.727 42.059 0.005 0.000 1.183 79 L HN -0.156 nan 8.230 nan 0.000 0.497 80 P HA -0.166 nan 4.420 nan 0.000 0.226 80 P C 0.923 178.244 177.300 0.035 0.000 1.153 80 P CA 1.010 64.006 63.100 -0.173 0.000 0.777 80 P CB 0.271 31.647 31.700 -0.539 0.000 0.794 81 E N 0.856 121.101 120.200 0.075 0.000 2.516 81 E HA -0.092 4.263 4.350 0.009 0.000 0.199 81 E C 1.010 177.723 176.600 0.189 0.000 1.069 81 E CA 0.643 57.151 56.400 0.181 0.000 0.876 81 E CB -0.245 29.577 29.700 0.203 0.000 0.843 81 E HN 0.309 nan 8.360 nan 0.000 0.530 82 K N -0.015 120.503 120.400 0.197 0.000 2.517 82 K HA 0.155 4.480 4.320 0.009 0.000 0.210 82 K C 1.321 178.059 176.600 0.231 0.000 1.166 82 K CA -0.207 56.191 56.287 0.187 0.000 1.030 82 K CB 0.339 32.986 32.500 0.245 0.000 0.974 82 K HN -0.080 nan 8.250 nan 0.000 0.585 83 L N 2.005 123.381 121.223 0.253 0.000 2.241 83 L HA -0.450 3.895 4.340 0.009 0.000 0.244 83 L C 2.280 179.282 176.870 0.221 0.000 1.128 83 L CA 2.972 57.967 54.840 0.259 0.000 0.849 83 L CB -1.227 40.863 42.059 0.052 0.000 0.965 83 L HN 0.469 nan 8.230 nan 0.000 0.444 84 T N -2.545 112.098 114.554 0.148 0.000 2.635 84 T HA -0.286 4.069 4.350 0.009 0.000 0.267 84 T C 1.937 176.666 174.700 0.047 0.000 1.040 84 T CA 2.147 64.325 62.100 0.129 0.000 1.156 84 T CB -1.132 67.814 68.868 0.130 0.000 0.863 84 T HN 0.481 nan 8.240 nan 0.000 0.430 85 I N -0.010 120.529 120.570 -0.052 0.000 2.236 85 I HA -0.227 3.948 4.170 0.009 0.000 0.249 85 I C 2.271 178.222 176.117 -0.277 0.000 1.102 85 I CA 1.881 63.040 61.300 -0.235 0.000 1.365 85 I CB -0.401 37.344 38.000 -0.425 0.000 1.051 85 I HN 0.277 nan 8.210 nan 0.000 0.420 86 Y N 0.028 120.388 120.300 0.101 0.000 2.476 86 Y HA -0.084 4.471 4.550 0.008 0.000 0.283 86 Y C 2.853 178.834 175.900 0.135 0.000 1.109 86 Y CA 1.125 59.316 58.100 0.152 0.000 1.246 86 Y CB -0.849 37.770 38.460 0.265 0.000 1.068 86 Y HN 0.216 nan 8.280 nan 0.000 0.552 87 T N -3.829 110.803 114.554 0.130 0.000 2.977 87 T HA -0.136 4.219 4.350 0.009 0.000 0.271 87 T C 1.694 176.348 174.700 -0.077 0.000 1.105 87 T CA 1.806 63.792 62.100 -0.190 0.000 1.116 87 T CB -0.584 68.097 68.868 -0.312 0.000 0.878 87 T HN 0.203 nan 8.240 nan 0.000 0.509 88 T N 1.674 116.220 114.554 -0.013 0.000 2.866 88 T HA 0.192 4.548 4.350 0.009 0.000 0.250 88 T C 1.660 176.276 174.700 -0.140 0.000 1.033 88 T CA 0.702 62.753 62.100 -0.081 0.000 1.145 88 T CB -0.435 68.349 68.868 -0.139 0.000 0.866 88 T HN 0.239 nan 8.240 nan 0.000 0.434 89 L N 1.571 122.740 121.223 -0.090 0.000 2.189 89 L HA -0.035 4.311 4.340 0.009 0.000 0.214 89 L C 2.167 179.000 176.870 -0.062 0.000 1.097 89 L CA 1.405 56.202 54.840 -0.072 0.000 0.764 89 L CB -0.535 41.538 42.059 0.023 0.000 0.900 89 L HN 0.072 nan 8.230 nan 0.000 0.436 90 V N -0.800 119.086 119.914 -0.047 0.000 2.446 90 V HA -0.023 4.103 4.120 0.009 0.000 0.244 90 V C 2.516 178.565 176.094 -0.074 0.000 1.039 90 V CA 1.344 63.584 62.300 -0.100 0.000 1.045 90 V CB -0.916 30.787 31.823 -0.199 0.000 0.681 90 V HN 0.567 nan 8.190 nan 0.000 0.459 91 G N -0.092 108.659 108.800 -0.082 0.000 2.450 91 G HA2 -0.204 3.761 3.960 0.009 0.000 0.220 91 G HA3 -0.204 3.761 3.960 0.009 0.000 0.220 91 G C 1.453 176.332 174.900 -0.035 0.000 1.130 91 G CA 0.845 45.913 45.100 -0.053 0.000 0.760 91 G HN 0.379 nan 8.290 nan 0.000 0.557 92 L N -0.189 120.981 121.223 -0.089 0.000 2.068 92 L HA 0.180 4.526 4.340 0.009 0.000 0.204 92 L C 2.573 179.401 176.870 -0.070 0.000 1.076 92 L CA 0.716 55.507 54.840 -0.082 0.000 0.753 92 L CB -0.873 41.100 42.059 -0.143 0.000 0.910 92 L HN 0.065 nan 8.230 nan 0.000 0.439 93 L N -0.245 120.908 121.223 -0.116 0.000 2.353 93 L HA -0.174 4.171 4.340 0.009 0.000 0.220 93 L C 2.149 178.992 176.870 -0.045 0.000 1.133 93 L CA 1.349 56.057 54.840 -0.220 0.000 0.798 93 L CB -1.248 40.548 42.059 -0.437 0.000 0.922 93 L HN 0.490 nan 8.230 nan 0.000 0.445 94 N N -0.700 118.031 118.700 0.051 0.000 2.409 94 N HA -0.046 4.700 4.740 0.009 0.000 0.174 94 N C 1.741 177.331 175.510 0.133 0.000 1.037 94 N CA 0.733 53.862 53.050 0.132 0.000 0.898 94 N CB 0.402 38.962 38.487 0.121 0.000 1.010 94 N HN 0.294 nan 8.380 nan 0.000 0.445 95 A N 1.000 123.869 122.820 0.081 0.000 2.067 95 A HA 0.058 4.383 4.320 0.009 0.000 0.217 95 A C 2.063 179.690 177.584 0.073 0.000 1.156 95 A CA 0.481 52.569 52.037 0.085 0.000 0.683 95 A CB -0.019 19.023 19.000 0.070 0.000 0.808 95 A HN 0.289 nan 8.150 nan 0.000 0.455 96 R N -1.461 119.066 120.500 0.045 0.000 2.167 96 R HA 0.135 4.481 4.340 0.009 0.000 0.201 96 R C -0.048 176.285 176.300 0.054 0.000 1.024 96 R CA 0.379 56.498 56.100 0.031 0.000 1.053 96 R CB 0.103 30.395 30.300 -0.014 0.000 0.987 96 R HN 0.358 nan 8.270 nan 0.000 0.493 97 N N -0.050 118.689 118.700 0.065 0.000 2.399 97 N HA 0.025 4.770 4.740 0.009 0.000 0.284 97 N C -0.581 175.078 175.510 0.249 0.000 1.025 97 N CA -0.367 52.764 53.050 0.134 0.000 0.885 97 N CB 1.334 39.867 38.487 0.077 0.000 1.339 97 N HN -0.017 nan 8.380 nan 0.000 0.487 98 Y N 4.147 124.545 120.300 0.163 0.000 2.201 98 Y HA 0.113 4.668 4.550 0.008 0.000 0.292 98 Y C 1.363 177.444 175.900 0.302 0.000 1.119 98 Y CA 1.365 59.595 58.100 0.218 0.000 1.127 98 Y CB 0.129 38.654 38.460 0.110 0.000 1.019 98 Y HN 0.534 nan 8.280 nan 0.000 0.514 99 N N 0.205 119.139 118.700 0.390 0.000 2.430 99 N HA -0.220 4.526 4.740 0.009 0.000 0.186 99 N C 1.567 177.183 175.510 0.176 0.000 1.032 99 N CA 1.340 54.554 53.050 0.274 0.000 0.893 99 N CB -0.737 37.890 38.487 0.233 0.000 0.957 99 N HN 0.472 nan 8.380 nan 0.000 0.442 100 F N 1.180 121.162 119.950 0.052 0.000 2.149 100 F HA 0.106 4.639 4.527 0.009 0.000 0.294 100 F C 2.273 178.045 175.800 -0.047 0.000 1.095 100 F CA 1.274 59.284 58.000 0.016 0.000 1.276 100 F CB -0.527 38.482 39.000 0.015 0.000 1.023 100 F HN -0.006 nan 8.300 nan 0.000 0.480 101 G N -0.320 108.483 108.800 0.005 0.000 2.422 101 G HA2 -0.201 3.764 3.960 0.009 0.000 0.218 101 G HA3 -0.201 3.764 3.960 0.009 0.000 0.218 101 G C 1.861 176.333 174.900 -0.712 0.000 1.146 101 G CA 0.692 45.599 45.100 -0.322 0.000 0.769 101 G HN 0.593 nan 8.290 nan 0.000 0.547 102 G N 0.116 108.521 108.800 -0.657 0.000 2.421 102 G HA2 -0.088 3.877 3.960 0.009 0.000 0.217 102 G HA3 -0.088 3.877 3.960 0.009 0.000 0.217 102 G C 1.444 176.226 174.900 -0.197 0.000 1.143 102 G CA 0.868 45.736 45.100 -0.387 0.000 0.784 102 G HN 0.528 nan 8.290 nan 0.000 0.541 103 E N -1.013 119.082 120.200 -0.176 0.000 2.511 103 E HA 0.061 4.417 4.350 0.009 0.000 0.196 103 E C 1.500 177.979 176.600 -0.201 0.000 1.066 103 E CA -0.035 56.270 56.400 -0.159 0.000 0.871 103 E CB -0.074 29.542 29.700 -0.141 0.000 0.863 103 E HN 0.472 nan 8.360 nan 0.000 0.520 104 F N -0.983 118.725 119.950 -0.403 0.000 2.419 104 F HA 0.034 4.567 4.527 0.009 0.000 0.283 104 F C 1.752 177.419 175.800 -0.221 0.000 1.044 104 F CA 0.363 58.152 58.000 -0.353 0.000 1.376 104 F CB -0.077 38.678 39.000 -0.410 0.000 1.131 104 F HN -0.145 nan 8.300 nan 0.000 0.585 105 V N 0.965 120.797 119.914 -0.135 0.000 2.332 105 V HA -0.307 3.818 4.120 0.009 0.000 0.248 105 V C 2.376 178.364 176.094 -0.177 0.000 1.055 105 V CA 2.358 64.567 62.300 -0.152 0.000 1.038 105 V CB -0.745 31.006 31.823 -0.121 0.000 0.651 105 V HN 0.455 nan 8.190 nan 0.000 0.450 106 E N 0.136 120.244 120.200 -0.154 0.000 2.153 106 E HA -0.217 4.138 4.350 0.009 0.000 0.194 106 E C 2.157 178.664 176.600 -0.156 0.000 0.988 106 E CA 1.317 57.648 56.400 -0.115 0.000 0.811 106 E CB -0.097 29.553 29.700 -0.082 0.000 0.746 106 E HN 0.593 nan 8.360 nan 0.000 0.466 107 A N 1.101 123.772 122.820 -0.249 0.000 1.854 107 A HA -0.123 4.202 4.320 0.009 0.000 0.214 107 A C 2.202 179.590 177.584 -0.326 0.000 1.192 107 A CA 1.196 53.060 52.037 -0.288 0.000 0.611 107 A CB -0.375 18.405 19.000 -0.367 0.000 0.832 107 A HN 0.223 nan 8.150 nan 0.000 0.442 108 M N -0.143 119.169 119.600 -0.480 0.000 2.082 108 M HA -0.159 4.327 4.480 0.009 0.000 0.258 108 M C 2.183 178.365 176.300 -0.198 0.000 1.071 108 M CA 1.487 56.553 55.300 -0.389 0.000 1.103 108 M CB -1.181 31.174 32.600 -0.408 0.000 1.307 108 M HN 0.312 nan 8.290 nan 0.000 0.409 109 I N -0.237 120.246 120.570 -0.145 0.000 2.185 109 I HA -0.339 3.836 4.170 0.009 0.000 0.246 109 I C 2.585 178.696 176.117 -0.010 0.000 1.088 109 I CA 1.695 62.966 61.300 -0.049 0.000 1.347 109 I CB -1.115 36.880 38.000 -0.009 0.000 1.041 109 I HN 0.405 nan 8.210 nan 0.000 0.415 110 R N 0.520 120.989 120.500 -0.051 0.000 2.066 110 R HA -0.226 4.120 4.340 0.009 0.000 0.232 110 R C 2.341 178.611 176.300 -0.049 0.000 1.131 110 R CA 1.572 57.650 56.100 -0.036 0.000 0.955 110 R CB -0.220 30.045 30.300 -0.059 0.000 0.851 110 R HN 0.242 nan 8.270 nan 0.000 0.432 111 Q N 0.581 120.324 119.800 -0.095 0.000 2.135 111 Q HA -0.179 4.166 4.340 0.009 0.000 0.204 111 Q C 1.916 177.872 176.000 -0.072 0.000 0.981 111 Q CA 1.746 57.489 55.803 -0.099 0.000 0.856 111 Q CB -0.332 28.316 28.738 -0.149 0.000 0.902 111 Q HN 0.405 nan 8.270 nan 0.000 0.425 112 L N 0.593 121.781 121.223 -0.058 0.000 1.976 112 L HA -0.157 4.188 4.340 0.009 0.000 0.209 112 L C 1.801 178.676 176.870 0.008 0.000 1.071 112 L CA 2.012 56.835 54.840 -0.028 0.000 0.746 112 L CB -0.455 41.589 42.059 -0.025 0.000 0.890 112 L HN 0.101 nan 8.230 nan 0.000 0.432 113 K N -0.532 119.916 120.400 0.081 0.000 2.360 113 K HA -0.246 4.079 4.320 0.009 0.000 0.201 113 K C 1.957 178.558 176.600 0.002 0.000 1.046 113 K CA 1.552 57.909 56.287 0.117 0.000 0.940 113 K CB -0.130 32.454 32.500 0.141 0.000 0.748 113 K HN 0.601 nan 8.250 nan 0.000 0.465 114 E N 0.523 120.703 120.200 -0.034 0.000 2.021 114 E HA -0.084 4.272 4.350 0.009 0.000 0.189 114 E C 1.593 178.129 176.600 -0.107 0.000 0.980 114 E CA 0.990 57.351 56.400 -0.064 0.000 0.803 114 E CB 0.141 29.805 29.700 -0.060 0.000 0.766 114 E HN 0.035 nan 8.360 nan 0.000 0.449 115 S N 0.613 116.241 115.700 -0.120 0.000 2.507 115 S HA -0.030 4.445 4.470 0.009 0.000 0.235 115 S C 1.778 176.184 174.600 -0.322 0.000 0.988 115 S CA 0.413 58.511 58.200 -0.171 0.000 0.944 115 S CB -0.069 63.054 63.200 -0.128 0.000 0.762 115 S HN 0.266 nan 8.310 nan 0.000 0.526 116 L N 0.601 121.629 121.223 -0.325 0.000 2.131 116 L HA 0.052 4.398 4.340 0.009 0.000 0.206 116 L C 2.010 178.604 176.870 -0.460 0.000 1.087 116 L CA 1.041 55.547 54.840 -0.557 0.000 0.767 116 L CB -0.198 41.699 42.059 -0.269 0.000 0.917 116 L HN 0.174 nan 8.230 nan 0.000 0.441 117 K N -0.113 120.151 120.400 -0.227 0.000 2.444 117 K HA 0.132 4.457 4.320 0.009 0.000 0.193 117 K C 1.285 177.798 176.600 -0.145 0.000 1.024 117 K CA 0.473 56.672 56.287 -0.147 0.000 1.077 117 K CB 0.294 32.744 32.500 -0.084 0.000 0.833 117 K HN 0.158 nan 8.250 nan 0.000 0.517 118 A N 1.259 123.969 122.820 -0.182 0.000 2.460 118 A HA 0.099 4.424 4.320 0.009 0.000 0.258 118 A C -0.185 177.310 177.584 -0.149 0.000 1.300 118 A CA -0.356 51.598 52.037 -0.138 0.000 0.913 118 A CB -0.038 18.894 19.000 -0.113 0.000 1.031 118 A HN 0.277 nan 8.150 nan 0.000 0.512 119 N N 0.780 119.356 118.700 -0.207 0.000 2.708 119 N HA -0.134 4.611 4.740 0.009 0.000 0.249 119 N C -0.703 174.763 175.510 -0.074 0.000 1.097 119 N CA 0.919 53.916 53.050 -0.089 0.000 0.710 119 N CB -1.536 36.929 38.487 -0.038 0.000 1.032 119 N HN 0.573 nan 8.380 nan 0.000 0.551 120 N N 0.293 118.858 118.700 -0.225 0.000 3.025 120 N HA 0.143 4.888 4.740 0.009 0.000 0.315 120 N C 0.526 175.929 175.510 -0.178 0.000 1.511 120 N CA -0.193 52.776 53.050 -0.134 0.000 1.097 120 N CB -0.149 38.275 38.487 -0.106 0.000 1.395 120 N HN 0.360 nan 8.380 nan 0.000 0.511 121 Y N -0.004 120.164 120.300 -0.221 0.000 2.639 121 Y HA -0.035 4.520 4.550 0.009 0.000 0.297 121 Y C 1.695 177.665 175.900 0.117 0.000 1.151 121 Y CA 0.525 58.464 58.100 -0.268 0.000 1.335 121 Y CB 0.146 38.180 38.460 -0.710 0.000 0.994 121 Y HN 0.208 nan 8.280 nan 0.000 0.548 122 N N -0.116 118.657 118.700 0.121 0.000 2.251 122 N HA -0.093 4.652 4.740 0.009 0.000 0.181 122 N C 1.540 176.877 175.510 -0.288 0.000 1.019 122 N CA 1.009 54.044 53.050 -0.024 0.000 0.862 122 N CB -0.186 38.284 38.487 -0.029 0.000 0.992 122 N HN 0.397 nan 8.380 nan 0.000 0.429 123 E N 0.680 120.831 120.200 -0.083 0.000 2.150 123 E HA -0.050 4.305 4.350 0.009 0.000 0.193 123 E C 1.789 178.408 176.600 0.031 0.000 0.985 123 E CA 0.749 57.178 56.400 0.047 0.000 0.814 123 E CB -0.012 29.744 29.700 0.094 0.000 0.752 123 E HN 0.316 nan 8.360 nan 0.000 0.466 124 A N 1.002 123.837 122.820 0.026 0.000 1.865 124 A HA -0.190 4.136 4.320 0.009 0.000 0.217 124 A C 2.509 180.215 177.584 0.205 0.000 1.191 124 A CA 1.460 53.561 52.037 0.107 0.000 0.623 124 A CB -0.856 18.193 19.000 0.081 0.000 0.826 124 A HN 0.129 nan 8.150 nan 0.000 0.444 125 V N -1.055 118.996 119.914 0.228 0.000 2.332 125 V HA -0.312 3.813 4.120 0.009 0.000 0.248 125 V C 2.432 178.572 176.094 0.077 0.000 1.055 125 V CA 2.121 64.472 62.300 0.085 0.000 1.038 125 V CB -1.193 30.623 31.823 -0.013 0.000 0.651 125 V HN 0.634 nan 8.190 nan 0.000 0.450 126 Y N 0.114 120.478 120.300 0.107 0.000 2.139 126 Y HA -0.240 4.316 4.550 0.009 0.000 0.282 126 Y C 2.319 178.247 175.900 0.047 0.000 1.179 126 Y CA 1.244 59.377 58.100 0.054 0.000 1.161 126 Y CB -0.985 37.500 38.460 0.042 0.000 0.970 126 Y HN 0.180 nan 8.280 nan 0.000 0.511 127 L N -1.597 119.741 121.223 0.192 0.000 2.109 127 L HA -0.154 4.191 4.340 0.009 0.000 0.207 127 L C 2.328 179.279 176.870 0.135 0.000 1.086 127 L CA 0.635 55.542 54.840 0.112 0.000 0.760 127 L CB -0.844 41.228 42.059 0.022 0.000 0.910 127 L HN 0.054 nan 8.230 nan 0.000 0.437 128 V N 0.170 120.151 119.914 0.111 0.000 2.287 128 V HA -0.270 3.855 4.120 0.009 0.000 0.248 128 V C 2.577 178.718 176.094 0.078 0.000 1.053 128 V CA 1.741 64.088 62.300 0.079 0.000 1.027 128 V CB -0.617 31.289 31.823 0.139 0.000 0.646 128 V HN 0.443 nan 8.190 nan 0.000 0.447 129 R N -1.401 119.138 120.500 0.065 0.000 2.235 129 R HA -0.082 4.264 4.340 0.009 0.000 0.213 129 R C 2.118 178.375 176.300 -0.071 0.000 1.059 129 R CA 1.208 57.278 56.100 -0.050 0.000 0.997 129 R CB -0.381 29.791 30.300 -0.213 0.000 0.884 129 R HN 0.550 nan 8.270 nan 0.000 0.462 130 F N 1.333 121.233 119.950 -0.084 0.000 2.118 130 F HA -0.043 4.489 4.527 0.008 0.000 0.293 130 F C 2.015 177.802 175.800 -0.022 0.000 1.102 130 F CA 1.057 59.028 58.000 -0.049 0.000 1.247 130 F CB -0.073 38.932 39.000 0.009 0.000 1.017 130 F HN -0.165 nan 8.300 nan 0.000 0.475 131 L N -0.520 120.783 121.223 0.133 0.000 2.127 131 L HA -0.259 4.087 4.340 0.009 0.000 0.211 131 L C 2.426 179.256 176.870 -0.067 0.000 1.089 131 L CA 1.256 56.106 54.840 0.017 0.000 0.757 131 L CB -1.056 40.990 42.059 -0.022 0.000 0.899 131 L HN 0.136 nan 8.230 nan 0.000 0.434 132 S N -0.214 115.466 115.700 -0.034 0.000 2.343 132 S HA -0.226 4.249 4.470 0.009 0.000 0.219 132 S C 1.641 176.214 174.600 -0.046 0.000 1.033 132 S CA 1.650 59.864 58.200 0.023 0.000 1.014 132 S CB -0.326 62.949 63.200 0.125 0.000 0.915 132 S HN 0.433 nan 8.310 nan 0.000 0.435 133 D N 1.042 121.369 120.400 -0.121 0.000 2.350 133 D HA 0.016 4.661 4.640 0.009 0.000 0.216 133 D C 1.507 177.636 176.300 -0.286 0.000 0.968 133 D CA 0.361 54.279 54.000 -0.138 0.000 0.894 133 D CB -0.247 40.477 40.800 -0.127 0.000 0.909 133 D HN 0.304 nan 8.370 nan 0.000 0.520 134 L N -0.604 120.432 121.223 -0.311 0.000 2.376 134 L HA -0.051 4.294 4.340 0.009 0.000 0.219 134 L C 2.118 178.856 176.870 -0.219 0.000 1.133 134 L CA 0.132 54.800 54.840 -0.287 0.000 0.816 134 L CB 0.066 41.997 42.059 -0.213 0.000 0.933 134 L HN -0.001 nan 8.230 nan 0.000 0.449 135 V N -0.388 119.413 119.914 -0.188 0.000 2.667 135 V HA -0.156 3.970 4.120 0.009 0.000 0.252 135 V C 1.559 177.470 176.094 -0.305 0.000 1.065 135 V CA 1.161 63.359 62.300 -0.169 0.000 1.083 135 V CB -0.475 31.294 31.823 -0.089 0.000 0.692 135 V HN 0.508 nan 8.190 nan 0.000 0.468 136 N N -0.750 117.707 118.700 -0.406 0.000 2.421 136 N HA 0.010 4.755 4.740 0.009 0.000 0.201 136 N C 0.617 175.544 175.510 -0.972 0.000 1.198 136 N CA 0.492 53.140 53.050 -0.671 0.000 0.838 136 N CB 0.070 38.127 38.487 -0.716 0.000 1.011 136 N HN 0.456 nan 8.380 nan 0.000 0.463 137 C N -1.546 117.369 119.300 -0.641 0.000 3.626 137 C HA 0.211 4.676 4.460 0.009 0.000 0.276 137 C C 0.330 175.227 174.990 -0.155 0.000 1.694 137 C CA -0.482 58.292 59.018 -0.406 0.000 1.785 137 C CB -1.222 26.348 27.740 -0.283 0.000 3.152 137 C HN 0.528 nan 8.230 nan 0.000 0.571 138 H N -1.038 117.978 119.070 -0.090 0.000 2.820 138 H HA -0.151 4.410 4.556 0.008 0.000 0.295 138 H C 0.939 176.282 175.328 0.025 0.000 1.187 138 H CA 0.760 56.797 56.048 -0.019 0.000 1.144 138 H CB -1.752 28.013 29.762 0.004 0.000 1.354 138 H HN 0.404 nan 8.280 nan 0.000 0.395 139 V N -0.710 119.244 119.914 0.066 0.000 3.307 139 V HA 0.156 4.281 4.120 0.009 0.000 0.253 139 V C 1.106 177.299 176.094 0.165 0.000 1.149 139 V CA 1.190 63.569 62.300 0.132 0.000 1.112 139 V CB 0.439 32.281 31.823 0.032 0.000 0.777 139 V HN 0.315 nan 8.190 nan 0.000 0.464 140 I N 0.196 120.807 120.570 0.069 0.000 2.619 140 I HA 0.611 4.786 4.170 0.009 0.000 0.292 140 I C -0.013 176.127 176.117 0.038 0.000 1.100 140 I CA -0.827 60.510 61.300 0.061 0.000 1.043 140 I CB 1.926 39.931 38.000 0.008 0.000 1.239 140 I HN 0.049 nan 8.210 nan 0.000 0.420 141 A N 3.880 126.731 122.820 0.050 0.000 2.488 141 A HA 0.480 4.805 4.320 0.009 0.000 0.249 141 A C 1.313 178.907 177.584 0.017 0.000 1.083 141 A CA 0.479 52.538 52.037 0.037 0.000 0.768 141 A CB 0.587 19.611 19.000 0.041 0.000 1.017 141 A HN 1.008 nan 8.150 nan 0.000 0.496 142 A N 4.492 127.320 122.820 0.014 0.000 1.917 142 A HA -0.089 4.236 4.320 0.009 0.000 0.219 142 A C -0.114 177.481 177.584 0.018 0.000 1.182 142 A CA 2.177 54.220 52.037 0.011 0.000 0.633 142 A CB -1.618 17.384 19.000 0.004 0.000 0.819 142 A HN 0.637 nan 8.150 nan 0.000 0.448 143 P HA -0.164 nan 4.420 nan 0.000 0.213 143 P C 1.909 179.213 177.300 0.007 0.000 1.170 143 P CA 2.237 65.346 63.100 0.015 0.000 0.898 143 P CB -0.349 31.359 31.700 0.014 0.000 0.787 144 S N -1.850 113.851 115.700 0.001 0.000 2.469 144 S HA -0.161 4.315 4.470 0.009 0.000 0.238 144 S C 1.888 176.450 174.600 -0.064 0.000 0.998 144 S CA 1.238 59.429 58.200 -0.015 0.000 0.957 144 S CB -1.090 62.111 63.200 0.001 0.000 0.764 144 S HN -0.023 nan 8.310 nan 0.000 0.514 145 M N 1.819 121.383 119.600 -0.060 0.000 2.216 145 M HA 0.198 4.683 4.480 0.009 0.000 0.264 145 M C 1.903 178.132 176.300 -0.119 0.000 1.080 145 M CA 1.189 56.410 55.300 -0.132 0.000 1.153 145 M CB -0.533 32.052 32.600 -0.025 0.000 1.356 145 M HN 0.153 nan 8.290 nan 0.000 0.432 146 V N 0.779 120.728 119.914 0.057 0.000 2.626 146 V HA -0.176 3.950 4.120 0.009 0.000 0.252 146 V C 2.581 178.696 176.094 0.036 0.000 1.067 146 V CA 1.517 63.903 62.300 0.143 0.000 1.081 146 V CB -1.880 30.009 31.823 0.108 0.000 0.686 146 V HN 0.610 nan 8.190 nan 0.000 0.468 147 A N -0.416 122.392 122.820 -0.020 0.000 1.908 147 A HA -0.274 4.051 4.320 0.009 0.000 0.218 147 A C 2.259 179.815 177.584 -0.047 0.000 1.181 147 A CA 2.387 54.413 52.037 -0.018 0.000 0.627 147 A CB -0.476 18.518 19.000 -0.010 0.000 0.818 147 A HN 0.506 nan 8.150 nan 0.000 0.445 148 M N -2.034 117.451 119.600 -0.192 0.000 2.319 148 M HA 0.025 4.510 4.480 0.009 0.000 0.265 148 M C 0.863 176.879 176.300 -0.473 0.000 1.068 148 M CA 1.254 56.354 55.300 -0.334 0.000 1.118 148 M CB 0.028 32.244 32.600 -0.640 0.000 1.395 148 M HN 0.374 nan 8.290 nan 0.000 0.435 149 F N 0.027 119.827 119.950 -0.251 0.000 2.797 149 F HA 0.072 4.604 4.527 0.009 0.000 0.302 149 F C 1.969 177.638 175.800 -0.218 0.000 1.130 149 F CA 0.620 58.464 58.000 -0.259 0.000 1.387 149 F CB -0.322 38.599 39.000 -0.132 0.000 1.107 149 F HN 0.195 nan 8.300 nan 0.000 0.577 150 E N -0.476 119.747 120.200 0.039 0.000 2.340 150 E HA -0.005 4.350 4.350 0.009 0.000 0.194 150 E C 1.185 177.820 176.600 0.057 0.000 0.996 150 E CA 0.198 56.603 56.400 0.008 0.000 0.869 150 E CB 0.088 29.793 29.700 0.009 0.000 0.835 150 E HN 0.263 nan 8.360 nan 0.000 0.493 151 N N -0.361 118.431 118.700 0.153 0.000 2.236 151 N HA 0.036 4.781 4.740 0.009 0.000 0.196 151 N C 0.771 176.509 175.510 0.380 0.000 1.114 151 N CA 0.225 53.404 53.050 0.214 0.000 0.859 151 N CB 0.317 38.948 38.487 0.239 0.000 0.982 151 N HN 0.057 nan 8.380 nan 0.000 0.493 152 F N 0.666 120.694 119.950 0.130 0.000 2.188 152 F HA 0.081 4.613 4.527 0.009 0.000 0.289 152 F C 2.210 178.059 175.800 0.081 0.000 1.082 152 F CA 0.429 58.580 58.000 0.252 0.000 1.282 152 F CB -0.584 38.644 39.000 0.380 0.000 1.060 152 F HN -0.220 nan 8.300 nan 0.000 0.493 153 V N 0.035 120.025 119.914 0.126 0.000 2.970 153 V HA -0.170 3.955 4.120 0.009 0.000 0.260 153 V C 2.346 178.380 176.094 -0.100 0.000 1.100 153 V CA 1.460 63.720 62.300 -0.067 0.000 1.122 153 V CB -1.170 30.511 31.823 -0.238 0.000 0.721 153 V HN 0.450 nan 8.190 nan 0.000 0.483 154 S N 0.246 115.914 115.700 -0.053 0.000 2.400 154 S HA -0.176 4.299 4.470 0.009 0.000 0.232 154 S C 1.917 176.439 174.600 -0.130 0.000 1.025 154 S CA 1.549 59.705 58.200 -0.074 0.000 0.993 154 S CB -0.653 62.528 63.200 -0.032 0.000 0.808 154 S HN 0.354 nan 8.310 nan 0.000 0.478 155 V N 3.209 123.015 119.914 -0.181 0.000 2.469 155 V HA -0.193 3.932 4.120 0.009 0.000 0.251 155 V C 3.140 179.076 176.094 -0.264 0.000 1.064 155 V CA 2.080 64.221 62.300 -0.265 0.000 1.066 155 V CB -1.935 29.627 31.823 -0.435 0.000 0.667 155 V HN 0.912 nan 8.190 nan 0.000 0.461 156 T N -2.250 112.108 114.554 -0.328 0.000 2.946 156 T HA -0.245 4.110 4.350 0.009 0.000 0.271 156 T C 1.492 176.045 174.700 -0.244 0.000 1.104 156 T CA 1.504 63.313 62.100 -0.485 0.000 1.114 156 T CB -0.246 68.184 68.868 -0.730 0.000 0.867 156 T HN 0.427 nan 8.240 nan 0.000 0.513 157 Q N 0.569 120.271 119.800 -0.163 0.000 2.198 157 Q HA 0.368 4.713 4.340 0.009 0.000 0.209 157 Q C 0.441 176.393 176.000 -0.081 0.000 0.848 157 Q CA -0.137 55.610 55.803 -0.092 0.000 0.974 157 Q CB 0.416 29.114 28.738 -0.067 0.000 1.115 157 Q HN 0.681 nan 8.270 nan 0.000 0.494 162 P HA 0.280 nan 4.420 nan 0.000 0.271 162 P C 0.422 177.568 177.300 -0.258 0.000 1.238 162 P CA -0.009 62.913 63.100 -0.297 0.000 0.794 162 P CB 0.577 32.031 31.700 -0.410 0.000 0.959 163 Q N 0.575 120.277 119.800 -0.163 0.000 2.204 163 Q HA -0.075 4.271 4.340 0.009 0.000 0.198 163 Q C 1.567 177.524 176.000 -0.072 0.000 0.946 163 Q CA 0.785 56.551 55.803 -0.062 0.000 0.859 163 Q CB -0.189 28.549 28.738 0.000 0.000 0.946 163 Q HN 0.320 nan 8.270 nan 0.000 0.474 164 V N -0.486 119.336 119.914 -0.154 0.000 2.546 164 V HA -0.275 3.850 4.120 0.009 0.000 0.254 164 V C 2.363 178.332 176.094 -0.208 0.000 1.076 164 V CA 2.159 64.377 62.300 -0.137 0.000 1.087 164 V CB -1.006 30.721 31.823 -0.160 0.000 0.674 164 V HN 0.337 nan 8.190 nan 0.000 0.470 165 R N 0.958 121.125 120.500 -0.554 0.000 2.070 165 R HA -0.138 4.207 4.340 0.009 0.000 0.232 165 R C 2.686 178.952 176.300 -0.056 0.000 1.138 165 R CA 1.997 57.666 56.100 -0.718 0.000 0.936 165 R CB -0.292 29.334 30.300 -1.124 0.000 0.839 165 R HN 0.537 nan 8.270 nan 0.000 0.429 166 R N 0.519 120.973 120.500 -0.077 0.000 2.083 166 R HA -0.132 4.213 4.340 0.009 0.000 0.237 166 R C 1.935 178.344 176.300 0.182 0.000 1.137 166 R CA 1.715 57.806 56.100 -0.015 0.000 0.951 166 R CB -0.573 29.632 30.300 -0.157 0.000 0.851 166 R HN 0.318 nan 8.270 nan 0.000 0.434 167 D N 0.105 120.665 120.400 0.266 0.000 2.133 167 D HA -0.224 4.422 4.640 0.009 0.000 0.192 167 D C 1.427 177.969 176.300 0.403 0.000 1.001 167 D CA 1.120 55.330 54.000 0.349 0.000 0.844 167 D CB -0.381 40.597 40.800 0.298 0.000 0.944 167 D HN 0.330 nan 8.370 nan 0.000 0.447 168 W N 0.333 121.758 121.300 0.208 0.000 2.354 168 W HA -0.239 4.426 4.660 0.008 0.000 0.315 168 W C 2.170 178.836 176.519 0.245 0.000 1.206 168 W CA 1.424 58.900 57.345 0.218 0.000 1.290 168 W CB -0.757 28.741 29.460 0.065 0.000 1.152 168 W HN -0.001 nan 8.180 nan 0.000 0.489 169 Y N -0.102 120.432 120.300 0.389 0.000 2.207 169 Y HA -0.289 4.267 4.550 0.009 0.000 0.287 169 Y C 2.458 178.460 175.900 0.170 0.000 1.156 169 Y CA 1.989 60.158 58.100 0.115 0.000 1.182 169 Y CB -1.103 37.410 38.460 0.090 0.000 0.979 169 Y HN -0.226 nan 8.280 nan 0.000 0.521 170 V N -1.066 119.058 119.914 0.351 0.000 2.490 170 V HA -0.311 3.814 4.120 0.009 0.000 0.250 170 V C 1.852 178.175 176.094 0.381 0.000 1.061 170 V CA 1.901 64.422 62.300 0.367 0.000 1.064 170 V CB -0.840 31.175 31.823 0.320 0.000 0.670 170 V HN 0.448 nan 8.190 nan 0.000 0.461 171 Y N 1.438 121.815 120.300 0.128 0.000 2.176 171 Y HA -0.012 4.544 4.550 0.009 0.000 0.291 171 Y C 2.452 178.327 175.900 -0.042 0.000 1.122 171 Y CA 1.192 59.325 58.100 0.055 0.000 1.128 171 Y CB -0.756 37.759 38.460 0.091 0.000 1.005 171 Y HN 0.116 nan 8.280 nan 0.000 0.509 172 A N 0.100 122.712 122.820 -0.347 0.000 1.986 172 A HA -0.253 4.073 4.320 0.009 0.000 0.220 172 A C 2.152 179.775 177.584 0.066 0.000 1.171 172 A CA 1.932 53.727 52.037 -0.403 0.000 0.640 172 A CB -1.555 16.916 19.000 -0.882 0.000 0.811 172 A HN 0.696 nan 8.150 nan 0.000 0.451 173 F N 0.084 120.107 119.950 0.121 0.000 2.094 173 F HA 0.037 4.570 4.527 0.009 0.000 0.291 173 F C 1.754 177.420 175.800 -0.224 0.000 1.109 173 F CA 1.470 59.501 58.000 0.051 0.000 1.221 173 F CB -0.559 38.538 39.000 0.162 0.000 1.014 173 F HN 0.080 nan 8.300 nan 0.000 0.473 174 L N 0.164 120.993 121.223 -0.657 0.000 2.265 174 L HA -0.171 4.174 4.340 0.009 0.000 0.215 174 L C 2.308 178.887 176.870 -0.484 0.000 1.117 174 L CA 1.141 55.569 54.840 -0.687 0.000 0.782 174 L CB -0.760 41.196 42.059 -0.172 0.000 0.914 174 L HN 0.195 nan 8.230 nan 0.000 0.441 175 S N -1.183 114.259 115.700 -0.431 0.000 2.481 175 S HA -0.085 4.390 4.470 0.009 0.000 0.231 175 S C 2.065 176.725 174.600 0.100 0.000 0.996 175 S CA 1.045 59.086 58.200 -0.264 0.000 0.942 175 S CB 0.078 63.017 63.200 -0.434 0.000 0.768 175 S HN 0.380 nan 8.310 nan 0.000 0.520 176 S N 1.334 117.013 115.700 -0.035 0.000 2.470 176 S HA 0.256 4.731 4.470 0.009 0.000 0.222 176 S C 1.665 176.374 174.600 0.183 0.000 1.024 176 S CA 0.034 58.330 58.200 0.160 0.000 0.931 176 S CB -0.155 63.108 63.200 0.104 0.000 0.791 176 S HN 0.363 nan 8.310 nan 0.000 0.513 177 L N 1.600 122.756 121.223 -0.111 0.000 2.081 177 L HA -0.095 4.250 4.340 0.009 0.000 0.212 177 L C -0.987 175.945 176.870 0.102 0.000 1.080 177 L CA 1.326 56.132 54.840 -0.057 0.000 0.754 177 L CB -2.025 39.988 42.059 -0.077 0.000 0.893 177 L HN 0.189 nan 8.230 nan 0.000 0.433 178 P HA -0.192 nan 4.420 nan 0.000 0.220 178 P C 1.222 178.415 177.300 -0.179 0.000 1.144 178 P CA 1.491 64.516 63.100 -0.125 0.000 0.800 178 P CB -0.012 31.468 31.700 -0.366 0.000 0.772 179 W N -2.139 119.209 121.300 0.079 0.000 2.924 179 W HA 0.215 4.881 4.660 0.009 0.000 0.273 179 W C 1.462 178.005 176.519 0.040 0.000 1.046 179 W CA 0.341 57.736 57.345 0.082 0.000 1.788 179 W CB -0.680 28.832 29.460 0.087 0.000 1.127 179 W HN -0.404 nan 8.180 nan 0.000 0.571 180 V N 1.360 121.429 119.914 0.258 0.000 3.249 180 V HA 0.233 4.359 4.120 0.009 0.000 0.338 180 V C 1.522 177.600 176.094 -0.027 0.000 1.363 180 V CA 0.919 63.280 62.300 0.101 0.000 1.205 180 V CB -0.352 31.539 31.823 0.114 0.000 1.164 180 V HN 0.141 nan 8.190 nan 0.000 0.458 181 G N -0.191 108.568 108.800 -0.068 0.000 2.453 181 G HA2 -0.167 3.798 3.960 0.009 0.000 0.215 181 G HA3 -0.167 3.798 3.960 0.009 0.000 0.215 181 G C 1.418 175.946 174.900 -0.621 0.000 1.147 181 G CA 0.593 45.466 45.100 -0.378 0.000 0.802 181 G HN 0.509 nan 8.290 nan 0.000 0.535 182 K N 0.110 120.373 120.400 -0.227 0.000 2.288 182 K HA 0.002 4.328 4.320 0.009 0.000 0.201 182 K C 2.153 178.665 176.600 -0.146 0.000 1.048 182 K CA 0.772 56.966 56.287 -0.155 0.000 0.956 182 K CB 0.077 32.602 32.500 0.041 0.000 0.746 182 K HN 0.154 nan 8.250 nan 0.000 0.461 183 E N 0.335 120.460 120.200 -0.125 0.000 2.057 183 E HA -0.091 4.265 4.350 0.009 0.000 0.190 183 E C 1.981 178.520 176.600 -0.103 0.000 0.969 183 E CA 0.509 56.857 56.400 -0.087 0.000 0.812 183 E CB -0.074 29.588 29.700 -0.063 0.000 0.777 183 E HN 0.126 nan 8.360 nan 0.000 0.455 184 L N 0.348 121.500 121.223 -0.118 0.000 1.990 184 L HA -0.210 4.135 4.340 0.009 0.000 0.213 184 L C 1.731 178.542 176.870 -0.097 0.000 1.072 184 L CA 1.464 56.259 54.840 -0.075 0.000 0.755 184 L CB -0.950 41.082 42.059 -0.045 0.000 0.889 184 L HN 0.194 nan 8.230 nan 0.000 0.432 185 Y N -0.480 119.586 120.300 -0.390 0.000 2.971 185 Y HA 0.142 4.697 4.550 0.009 0.000 0.384 185 Y C 1.355 177.120 175.900 -0.224 0.000 1.166 185 Y CA 0.195 58.087 58.100 -0.347 0.000 1.973 185 Y CB -0.196 37.817 38.460 -0.744 0.000 2.082 185 Y HN 0.261 nan 8.280 nan 0.000 0.420 186 E N -0.557 119.532 120.200 -0.185 0.000 2.756 186 E HA 0.114 4.470 4.350 0.009 0.000 0.218 186 E C 0.976 177.514 176.600 -0.104 0.000 1.042 186 E CA 0.360 56.689 56.400 -0.119 0.000 1.713 186 E CB 0.296 29.961 29.700 -0.058 0.000 2.443 186 E HN 0.320 nan 8.360 nan 0.000 1.080 187 K N -0.220 120.129 120.400 -0.085 0.000 2.353 187 K HA 0.285 4.610 4.320 0.009 0.000 0.195 187 K C 0.141 176.705 176.600 -0.060 0.000 1.031 187 K CA 0.170 56.424 56.287 -0.055 0.000 1.079 187 K CB 0.896 33.380 32.500 -0.027 0.000 0.857 187 K HN -0.212 nan 8.250 nan 0.000 0.535 188 K N 1.292 121.639 120.400 -0.089 0.000 2.972 188 K HA -0.011 4.314 4.320 0.009 0.000 0.187 188 K C -0.097 176.437 176.600 -0.111 0.000 1.122 188 K CA 0.196 56.442 56.287 -0.068 0.000 1.080 188 K CB 0.782 33.272 32.500 -0.016 0.000 0.720 188 K HN 0.168 nan 8.250 nan 0.000 0.429 189 D N 0.145 120.377 120.400 -0.280 0.000 2.384 189 D HA -0.105 4.540 4.640 0.009 0.000 0.222 189 D C 1.134 177.310 176.300 -0.206 0.000 0.976 189 D CA 0.859 54.525 54.000 -0.557 0.000 0.915 189 D CB 0.366 40.432 40.800 -1.222 0.000 0.896 189 D HN 0.106 nan 8.370 nan 0.000 0.523 190 A N 1.607 124.370 122.820 -0.096 0.000 1.855 190 A HA -0.196 4.130 4.320 0.009 0.000 0.215 190 A C 2.172 179.787 177.584 0.052 0.000 1.191 190 A CA 1.688 53.719 52.037 -0.011 0.000 0.613 190 A CB -0.622 18.370 19.000 -0.013 0.000 0.829 190 A HN 0.503 nan 8.150 nan 0.000 0.442 191 E N -1.287 118.944 120.200 0.052 0.000 2.442 191 E HA -0.015 4.340 4.350 0.009 0.000 0.195 191 E C 1.665 178.346 176.600 0.136 0.000 1.030 191 E CA 0.342 56.789 56.400 0.078 0.000 0.869 191 E CB -0.194 29.533 29.700 0.045 0.000 0.857 191 E HN 0.354 nan 8.360 nan 0.000 0.505 192 M N 2.102 121.820 119.600 0.197 0.000 2.126 192 M HA -0.148 4.337 4.480 0.009 0.000 0.259 192 M C 1.536 178.220 176.300 0.640 0.000 1.073 192 M CA 1.675 57.214 55.300 0.398 0.000 1.103 192 M CB -0.990 31.965 32.600 0.591 0.000 1.284 192 M HN 0.106 nan 8.290 nan 0.000 0.420 193 D N -0.394 120.394 120.400 0.647 0.000 2.182 193 D HA -0.171 4.474 4.640 0.009 0.000 0.201 193 D C 2.103 178.654 176.300 0.419 0.000 0.986 193 D CA 0.829 55.181 54.000 0.587 0.000 0.847 193 D CB -0.405 40.627 40.800 0.386 0.000 0.942 193 D HN 0.272 nan 8.370 nan 0.000 0.467 194 R N 0.823 121.490 120.500 0.278 0.000 2.092 194 R HA -0.046 4.299 4.340 0.009 0.000 0.231 194 R C 2.246 178.635 176.300 0.148 0.000 1.119 194 R CA 0.568 56.774 56.100 0.177 0.000 0.970 194 R CB -0.425 29.943 30.300 0.114 0.000 0.864 194 R HN 0.243 nan 8.270 nan 0.000 0.440 195 I N 0.015 120.656 120.570 0.117 0.000 2.286 195 I HA -0.225 3.950 4.170 0.009 0.000 0.245 195 I C 1.888 178.014 176.117 0.014 0.000 1.104 195 I CA 1.044 62.330 61.300 -0.023 0.000 1.397 195 I CB -0.326 37.565 38.000 -0.182 0.000 1.072 195 I HN 0.036 nan 8.210 nan 0.000 0.417 196 F N 1.050 121.143 119.950 0.238 0.000 2.269 196 F HA -0.209 4.323 4.527 0.009 0.000 0.301 196 F C 2.587 178.551 175.800 0.274 0.000 1.082 196 F CA 1.150 59.366 58.000 0.360 0.000 1.360 196 F CB -0.495 38.746 39.000 0.401 0.000 1.041 196 F HN 0.021 nan 8.300 nan 0.000 0.512 197 A N -0.062 122.967 122.820 0.349 0.000 2.015 197 A HA -0.168 4.158 4.320 0.009 0.000 0.219 197 A C 1.878 179.540 177.584 0.129 0.000 1.163 197 A CA 1.823 53.991 52.037 0.218 0.000 0.646 197 A CB -0.581 18.520 19.000 0.168 0.000 0.806 197 A HN 0.335 nan 8.150 nan 0.000 0.448 198 N N -0.618 118.140 118.700 0.098 0.000 2.182 198 N HA -0.048 4.697 4.740 0.009 0.000 0.186 198 N C 1.729 177.258 175.510 0.031 0.000 1.036 198 N CA 1.884 54.957 53.050 0.039 0.000 0.850 198 N CB -0.840 37.643 38.487 -0.007 0.000 1.010 198 N HN 0.328 nan 8.380 nan 0.000 0.432 199 T N 1.171 115.744 114.554 0.032 0.000 2.699 199 T HA -0.202 4.153 4.350 0.009 0.000 0.268 199 T C 1.618 176.207 174.700 -0.185 0.000 1.036 199 T CA 1.350 63.457 62.100 0.013 0.000 1.147 199 T CB -0.270 68.680 68.868 0.136 0.000 0.862 199 T HN 0.374 nan 8.240 nan 0.000 0.446 200 E N 1.030 121.105 120.200 -0.208 0.000 2.048 200 E HA -0.242 4.114 4.350 0.009 0.000 0.202 200 E C 2.408 178.859 176.600 -0.248 0.000 1.021 200 E CA 2.041 58.221 56.400 -0.366 0.000 0.825 200 E CB -0.226 29.501 29.700 0.045 0.000 0.756 200 E HN 0.621 nan 8.360 nan 0.000 0.454 201 S N -0.131 115.520 115.700 -0.081 0.000 2.353 201 S HA -0.268 4.207 4.470 0.009 0.000 0.222 201 S C 2.127 176.690 174.600 -0.062 0.000 1.035 201 S CA 1.413 59.583 58.200 -0.051 0.000 1.025 201 S CB -1.154 62.048 63.200 0.004 0.000 0.902 201 S HN 0.563 nan 8.310 nan 0.000 0.440 202 Y N 3.108 123.329 120.300 -0.132 0.000 2.114 202 Y HA -0.150 4.405 4.550 0.009 0.000 0.282 202 Y C 2.049 177.862 175.900 -0.146 0.000 1.165 202 Y CA 1.597 59.627 58.100 -0.117 0.000 1.148 202 Y CB -0.657 37.747 38.460 -0.094 0.000 0.972 202 Y HN 0.247 nan 8.280 nan 0.000 0.504 203 L N 0.027 121.005 121.223 -0.408 0.000 2.042 203 L HA -0.270 4.075 4.340 0.009 0.000 0.210 203 L C 2.458 179.086 176.870 -0.404 0.000 1.076 203 L CA 2.015 56.554 54.840 -0.502 0.000 0.749 203 L CB -0.678 41.074 42.059 -0.513 0.000 0.893 203 L HN 0.201 nan 8.230 nan 0.000 0.432 204 K N 0.036 120.253 120.400 -0.305 0.000 2.097 204 K HA -0.119 4.206 4.320 0.009 0.000 0.205 204 K C 2.240 178.721 176.600 -0.199 0.000 1.050 204 K CA 1.058 57.220 56.287 -0.210 0.000 0.938 204 K CB -0.079 32.334 32.500 -0.145 0.000 0.718 204 K HN 0.247 nan 8.250 nan 0.000 0.442 205 R N 0.887 121.259 120.500 -0.214 0.000 2.115 205 R HA -0.020 4.325 4.340 0.009 0.000 0.230 205 R C 0.710 176.875 176.300 -0.225 0.000 1.111 205 R CA 0.623 56.620 56.100 -0.172 0.000 0.976 205 R CB -0.127 30.110 30.300 -0.105 0.000 0.870 205 R HN 0.097 nan 8.270 nan 0.000 0.445 206 R N 1.404 121.674 120.500 -0.383 0.000 2.817 206 R HA -0.042 4.303 4.340 0.009 0.000 0.264 206 R C -0.132 176.040 176.300 -0.213 0.000 1.009 206 R CA 0.601 56.486 56.100 -0.359 0.000 1.133 206 R CB 0.241 30.251 30.300 -0.483 0.000 1.013 206 R HN 0.191 nan 8.270 nan 0.000 0.453 207 Q N 1.900 121.605 119.800 -0.158 0.000 2.340 207 Q HA 0.138 4.484 4.340 0.009 0.000 0.259 207 Q C -0.506 175.352 176.000 -0.236 0.000 0.964 207 Q CA -0.483 55.229 55.803 -0.152 0.000 0.900 207 Q CB 1.487 30.162 28.738 -0.106 0.000 1.228 207 Q HN 0.153 nan 8.270 nan 0.000 0.449 208 K N 2.558 122.798 120.400 -0.267 0.000 3.165 208 K HA 0.116 4.441 4.320 0.009 0.000 0.259 208 K C 0.359 176.704 176.600 -0.425 0.000 1.282 208 K CA -0.030 56.023 56.287 -0.390 0.000 1.259 208 K CB 0.089 32.454 32.500 -0.225 0.000 1.546 208 K HN 0.510 nan 8.250 nan 0.000 0.384 209 T N 0.237 114.497 114.554 -0.489 0.000 2.978 209 T HA -0.064 4.292 4.350 0.009 0.000 0.262 209 T C 1.482 176.029 174.700 -0.255 0.000 1.063 209 T CA 0.817 62.745 62.100 -0.285 0.000 1.140 209 T CB -0.107 68.661 68.868 -0.167 0.000 0.886 209 T HN 0.540 nan 8.240 nan 0.000 0.470 210 H N 0.815 119.840 119.070 -0.075 0.000 2.547 210 H HA 0.194 4.756 4.556 0.009 0.000 0.272 210 H C 2.031 177.328 175.328 -0.051 0.000 0.989 210 H CA 0.311 56.311 56.048 -0.080 0.000 1.214 210 H CB -0.870 28.838 29.762 -0.091 0.000 1.389 210 H HN 0.201 nan 8.280 nan 0.000 0.577 211 V N 2.367 122.226 119.914 -0.091 0.000 2.255 211 V HA -0.186 3.939 4.120 0.009 0.000 0.247 211 V C -0.311 175.783 176.094 -0.000 0.000 1.051 211 V CA 1.934 64.228 62.300 -0.010 0.000 1.018 211 V CB -1.580 30.212 31.823 -0.052 0.000 0.641 211 V HN 0.395 nan 8.190 nan 0.000 0.445 212 P HA -0.190 nan 4.420 nan 0.000 0.218 212 P C 1.807 179.098 177.300 -0.015 0.000 1.146 212 P CA 1.706 64.798 63.100 -0.014 0.000 0.813 212 P CB -0.086 31.604 31.700 -0.017 0.000 0.778 213 M N -1.930 117.663 119.600 -0.012 0.000 2.466 213 M HA 0.047 4.532 4.480 0.009 0.000 0.265 213 M C 1.348 177.640 176.300 -0.014 0.000 1.122 213 M CA 1.313 56.603 55.300 -0.018 0.000 1.157 213 M CB -0.114 32.474 32.600 -0.021 0.000 1.352 213 M HN -0.153 nan 8.290 nan 0.000 0.464 214 L N 0.000 121.227 121.223 0.006 0.000 2.529 214 L HA 0.147 4.492 4.340 0.009 0.000 0.223 214 L C 0.605 177.478 176.870 0.004 0.000 1.113 214 L CA -0.073 54.770 54.840 0.005 0.000 0.861 214 L CB -0.107 41.972 42.059 0.033 0.000 1.012 214 L HN 0.302 nan 8.230 nan 0.000 0.461 215 Q N -0.178 119.623 119.800 0.002 0.000 2.332 215 Q HA 0.058 4.404 4.340 0.009 0.000 0.263 215 Q C 0.997 176.951 176.000 -0.076 0.000 0.979 215 Q CA -0.381 55.421 55.803 -0.000 0.000 0.885 215 Q CB 2.148 30.897 28.738 0.018 0.000 1.218 215 Q HN 0.018 nan 8.270 nan 0.000 0.405 216 V N 1.910 121.745 119.914 -0.131 0.000 2.302 216 V HA -0.074 4.051 4.120 0.009 0.000 0.243 216 V C 0.365 176.147 176.094 -0.520 0.000 1.036 216 V CA 0.985 63.035 62.300 -0.416 0.000 1.020 216 V CB 0.004 31.431 31.823 -0.660 0.000 0.657 216 V HN 0.686 nan 8.190 nan 0.000 0.453 217 W N 0.962 122.198 121.300 -0.106 0.000 2.429 217 W HA 0.372 5.037 4.660 0.009 0.000 0.314 217 W C 1.131 177.599 176.519 -0.086 0.000 1.062 217 W CA -0.059 57.212 57.345 -0.124 0.000 1.211 217 W CB 1.022 30.385 29.460 -0.161 0.000 1.305 217 W HN 0.227 nan 8.180 nan 0.000 0.476 218 T N -0.532 114.095 114.554 0.123 0.000 3.148 218 T HA 0.260 4.616 4.350 0.009 0.000 0.253 218 T C 0.874 175.608 174.700 0.057 0.000 1.134 218 T CA 0.099 62.237 62.100 0.065 0.000 1.051 218 T CB 0.209 69.097 68.868 0.033 0.000 0.959 218 T HN 0.295 nan 8.240 nan 0.000 0.525 219 A N 1.510 124.373 122.820 0.072 0.000 2.310 219 A HA 0.431 4.757 4.320 0.009 0.000 0.260 219 A C 0.971 178.548 177.584 -0.012 0.000 1.112 219 A CA -0.265 51.776 52.037 0.007 0.000 0.804 219 A CB 0.278 19.252 19.000 -0.043 0.000 1.081 219 A HN 0.289 nan 8.150 nan 0.000 0.499 220 D N -0.669 119.705 120.400 -0.044 0.000 2.422 220 D HA 0.142 4.787 4.640 0.009 0.000 0.218 220 D C -0.050 176.195 176.300 -0.093 0.000 1.047 220 D CA 0.953 54.924 54.000 -0.048 0.000 0.885 220 D CB 0.317 41.095 40.800 -0.037 0.000 1.035 220 D HN 0.497 nan 8.370 nan 0.000 0.502 221 K N 0.455 120.777 120.400 -0.130 0.000 2.328 221 K HA 0.364 4.689 4.320 0.009 0.000 0.246 221 K C -1.826 174.615 176.600 -0.264 0.000 0.955 221 K CA -1.457 54.718 56.287 -0.186 0.000 0.817 221 K CB 2.522 34.931 32.500 -0.152 0.000 1.208 221 K HN -0.289 nan 8.250 nan 0.000 0.432 222 P HA -0.023 nan 4.420 nan 0.000 0.216 222 P C -0.665 176.344 177.300 -0.484 0.000 1.156 222 P CA 0.904 63.741 63.100 -0.438 0.000 0.855 222 P CB 0.189 31.524 31.700 -0.608 0.000 0.786 223 H N -0.002 118.915 119.070 -0.256 0.000 2.552 223 H HA 0.351 4.912 4.556 0.009 0.000 0.311 223 H C -2.261 172.955 175.328 -0.187 0.000 1.071 223 H CA -2.196 53.719 56.048 -0.222 0.000 1.307 223 H CB -0.001 29.590 29.762 -0.284 0.000 1.416 223 H HN 0.087 nan 8.280 nan 0.000 0.464 224 P HA 0.052 nan 4.420 nan 0.000 0.278 224 P C -0.569 176.752 177.300 0.036 0.000 1.238 224 P CA -0.719 62.384 63.100 0.005 0.000 0.794 224 P CB 0.884 32.589 31.700 0.009 0.000 0.955 225 Q N 2.032 121.872 119.800 0.067 0.000 2.456 225 Q HA 0.221 4.566 4.340 0.009 0.000 0.234 225 Q C -0.042 176.010 176.000 0.087 0.000 1.061 225 Q CA 0.054 55.910 55.803 0.090 0.000 0.896 225 Q CB 0.316 29.131 28.738 0.128 0.000 1.233 225 Q HN 0.491 nan 8.270 nan 0.000 0.506 226 E N 1.163 121.418 120.200 0.092 0.000 2.318 226 E HA 0.146 4.501 4.350 0.009 0.000 0.265 226 E C -0.079 176.595 176.600 0.123 0.000 1.069 226 E CA -0.689 55.771 56.400 0.099 0.000 0.893 226 E CB 1.253 31.019 29.700 0.111 0.000 1.076 226 E HN 0.288 nan 8.360 nan 0.000 0.414 227 E N 1.487 121.749 120.200 0.103 0.000 2.413 227 E HA -0.096 4.259 4.350 0.009 0.000 0.263 227 E C 0.407 177.087 176.600 0.133 0.000 1.015 227 E CA 0.220 56.693 56.400 0.122 0.000 0.916 227 E CB 0.411 30.142 29.700 0.052 0.000 0.947 227 E HN 0.581 nan 8.360 nan 0.000 0.440 228 Y N 3.391 123.741 120.300 0.084 0.000 2.569 228 Y HA -0.087 4.468 4.550 0.009 0.000 0.293 228 Y C 1.210 177.188 175.900 0.131 0.000 1.144 228 Y CA 0.873 59.026 58.100 0.090 0.000 1.321 228 Y CB -0.114 38.346 38.460 0.001 0.000 0.982 228 Y HN 0.411 nan 8.280 nan 0.000 0.558 229 L N -0.418 120.505 121.223 -0.499 0.000 2.356 229 L HA 0.022 4.367 4.340 0.009 0.000 0.193 229 L C 1.919 178.774 176.870 -0.025 0.000 1.087 229 L CA 0.583 55.213 54.840 -0.351 0.000 0.817 229 L CB -0.294 41.467 42.059 -0.496 0.000 1.035 229 L HN -0.042 nan 8.230 nan 0.000 0.482 230 D N -0.391 119.992 120.400 -0.027 0.000 2.228 230 D HA -0.246 4.399 4.640 0.009 0.000 0.203 230 D C 2.044 178.447 176.300 0.172 0.000 0.988 230 D CA 1.268 55.311 54.000 0.071 0.000 0.864 230 D CB -0.367 40.448 40.800 0.025 0.000 0.928 230 D HN 0.363 nan 8.370 nan 0.000 0.469 231 C N 0.187 119.582 119.300 0.159 0.000 2.508 231 C HA -0.031 4.435 4.460 0.009 0.000 0.280 231 C C 2.674 177.798 174.990 0.224 0.000 1.262 231 C CA 0.340 59.492 59.018 0.222 0.000 1.706 231 C CB -1.185 26.679 27.740 0.206 0.000 2.078 231 C HN 0.305 nan 8.230 nan 0.000 0.480 232 L N 1.346 122.686 121.223 0.196 0.000 2.043 232 L HA -0.134 4.211 4.340 0.009 0.000 0.212 232 L C 2.301 179.216 176.870 0.074 0.000 1.075 232 L CA 2.695 57.605 54.840 0.116 0.000 0.752 232 L CB -1.171 40.966 42.059 0.130 0.000 0.891 232 L HN 0.775 nan 8.230 nan 0.000 0.432 233 W N 0.523 121.807 121.300 -0.027 0.000 2.333 233 W HA -0.297 4.368 4.660 0.009 0.000 0.316 233 W C 2.183 178.654 176.519 -0.079 0.000 1.215 233 W CA 2.165 59.489 57.345 -0.035 0.000 1.278 233 W CB -0.386 29.068 29.460 -0.010 0.000 1.154 233 W HN 0.378 nan 8.180 nan 0.000 0.486 234 A N 0.837 123.609 122.820 -0.080 0.000 1.978 234 A HA -0.277 4.048 4.320 0.009 0.000 0.220 234 A C 1.927 179.312 177.584 -0.331 0.000 1.170 234 A CA 2.022 53.874 52.037 -0.308 0.000 0.636 234 A CB -0.900 17.895 19.000 -0.341 0.000 0.810 234 A HN 0.615 nan 8.150 nan 0.000 0.448 235 Q N -0.735 118.969 119.800 -0.160 0.000 2.046 235 Q HA -0.080 4.265 4.340 0.009 0.000 0.200 235 Q C 1.887 177.702 176.000 -0.308 0.000 0.975 235 Q CA 1.159 56.876 55.803 -0.143 0.000 0.836 235 Q CB -0.238 28.471 28.738 -0.048 0.000 0.896 235 Q HN 0.562 nan 8.270 nan 0.000 0.428 236 I N 1.107 121.441 120.570 -0.393 0.000 2.454 236 I HA -0.227 3.948 4.170 0.009 0.000 0.254 236 I C 2.192 177.869 176.117 -0.732 0.000 1.156 236 I CA 1.307 62.304 61.300 -0.505 0.000 1.433 236 I CB -0.891 36.861 38.000 -0.413 0.000 1.082 236 I HN 0.294 nan 8.210 nan 0.000 0.432 237 Q N 0.500 119.831 119.800 -0.782 0.000 2.020 237 Q HA -0.166 4.179 4.340 0.009 0.000 0.198 237 Q C 2.190 177.834 176.000 -0.593 0.000 0.974 237 Q CA 1.037 56.380 55.803 -0.767 0.000 0.829 237 Q CB -0.521 27.786 28.738 -0.718 0.000 0.894 237 Q HN 0.365 nan 8.270 nan 0.000 0.433 238 K N 0.916 121.040 120.400 -0.462 0.000 2.281 238 K HA -0.148 4.177 4.320 0.009 0.000 0.203 238 K C 1.946 178.309 176.600 -0.395 0.000 1.046 238 K CA 0.553 56.629 56.287 -0.352 0.000 0.938 238 K CB -0.080 32.280 32.500 -0.233 0.000 0.737 238 K HN 0.129 nan 8.250 nan 0.000 0.458 239 L N 1.551 122.470 121.223 -0.507 0.000 2.049 239 L HA -0.051 4.295 4.340 0.009 0.000 0.203 239 L C 2.447 178.765 176.870 -0.920 0.000 1.074 239 L CA 1.812 56.303 54.840 -0.581 0.000 0.749 239 L CB -0.683 41.047 42.059 -0.549 0.000 0.907 239 L HN 0.045 nan 8.230 nan 0.000 0.439 240 K N -0.271 119.338 120.400 -1.320 0.000 2.160 240 K HA -0.287 4.039 4.320 0.009 0.000 0.206 240 K C 2.258 178.303 176.600 -0.925 0.000 1.047 240 K CA 1.932 57.227 56.287 -1.654 0.000 0.930 240 K CB -0.126 31.530 32.500 -1.408 0.000 0.720 240 K HN 0.344 nan 8.250 nan 0.000 0.450 241 K N 0.263 120.281 120.400 -0.637 0.000 2.116 241 K HA -0.092 4.233 4.320 0.009 0.000 0.203 241 K C 0.728 177.142 176.600 -0.310 0.000 1.052 241 K CA 1.514 57.563 56.287 -0.398 0.000 0.952 241 K CB 0.167 32.475 32.500 -0.321 0.000 0.729 241 K HN 0.097 nan 8.250 nan 0.000 0.446 242 D N 1.008 121.210 120.400 -0.330 0.000 2.371 242 D HA -0.011 4.635 4.640 0.009 0.000 0.234 242 D C -0.428 175.765 176.300 -0.179 0.000 1.049 242 D CA 0.405 54.273 54.000 -0.220 0.000 0.907 242 D CB 0.057 40.737 40.800 -0.199 0.000 0.891 242 D HN 0.182 nan 8.370 nan 0.000 0.531 243 R N -2.125 118.235 120.500 -0.233 0.000 3.407 243 R HA -0.200 4.145 4.340 0.009 0.000 0.277 243 R C -0.530 175.806 176.300 0.059 0.000 1.119 243 R CA 0.238 56.292 56.100 -0.075 0.000 0.750 243 R CB -2.554 27.750 30.300 0.007 0.000 1.258 243 R HN 0.277 nan 8.270 nan 0.000 0.432 244 W N -1.010 120.206 121.300 -0.139 0.000 5.692 244 W HA -0.309 4.356 4.660 0.009 0.000 0.371 244 W C 0.183 176.657 176.519 -0.075 0.000 1.354 244 W CA 1.001 58.275 57.345 -0.118 0.000 0.955 244 W CB -1.602 27.812 29.460 -0.077 0.000 2.465 244 W HN 0.413 nan 8.180 nan 0.000 1.554 245 Q N 0.656 120.485 119.800 0.048 0.000 2.303 245 Q HA 0.366 4.712 4.340 0.009 0.000 0.257 245 Q C 0.431 176.424 176.000 -0.012 0.000 0.941 245 Q CA -0.437 55.384 55.803 0.030 0.000 0.931 245 Q CB 1.242 29.985 28.738 0.009 0.000 1.215 245 Q HN 0.260 nan 8.270 nan 0.000 0.437 246 E N 1.626 121.825 120.200 -0.002 0.000 2.277 246 E HA 0.437 4.792 4.350 0.009 0.000 0.266 246 E C -0.899 175.697 176.600 -0.006 0.000 0.901 246 E CA -1.092 55.295 56.400 -0.021 0.000 0.782 246 E CB 1.099 30.773 29.700 -0.044 0.000 1.228 246 E HN 0.510 nan 8.360 nan 0.000 0.424 247 R N 1.444 121.951 120.500 0.010 0.000 2.835 247 R HA 0.447 4.792 4.340 0.009 0.000 0.290 247 R C -0.660 175.702 176.300 0.103 0.000 1.410 247 R CA -0.523 55.595 56.100 0.030 0.000 1.590 247 R CB -0.037 30.274 30.300 0.017 0.000 1.288 247 R HN 0.868 nan 8.270 nan 0.000 0.637 248 H N 0.407 119.451 119.070 -0.043 0.000 1.791 248 H HA 0.251 4.812 4.556 0.009 0.000 0.126 248 H C -0.273 175.029 175.328 -0.043 0.000 1.090 248 H CA -0.112 55.917 56.048 -0.033 0.000 0.723 248 H CB 0.238 29.990 29.762 -0.017 0.000 0.491 248 H HN 0.226 nan 8.280 nan 0.000 0.263 249 I N 4.110 124.583 120.570 -0.163 0.000 2.943 249 I HA -0.078 4.097 4.170 0.009 0.000 0.296 249 I C -0.002 176.005 176.117 -0.184 0.000 1.220 249 I CA 0.629 61.811 61.300 -0.198 0.000 1.409 249 I CB 0.179 38.069 38.000 -0.184 0.000 1.374 249 I HN 0.262 nan 8.210 nan 0.000 0.545 250 L N 8.469 129.569 121.223 -0.205 0.000 2.315 250 L HA 0.260 4.605 4.340 0.009 0.000 0.283 250 L C 0.342 177.109 176.870 -0.173 0.000 1.089 250 L CA -0.088 54.641 54.840 -0.185 0.000 0.833 250 L CB 0.059 41.999 42.059 -0.198 0.000 1.170 250 L HN 0.574 nan 8.230 nan 0.000 0.442 251 R N 4.761 125.097 120.500 -0.273 0.000 2.287 251 R HA 0.260 4.605 4.340 0.009 0.000 0.316 251 R C -1.895 174.045 176.300 -0.600 0.000 1.050 251 R CA -1.625 54.109 56.100 -0.610 0.000 0.983 251 R CB 1.124 30.948 30.300 -0.793 0.000 1.140 251 R HN 0.345 nan 8.270 nan 0.000 0.528 252 P HA -0.156 nan 4.420 nan 0.000 0.221 252 P C 0.548 177.856 177.300 0.014 0.000 1.150 252 P CA 0.957 63.977 63.100 -0.133 0.000 0.800 252 P CB 0.039 31.697 31.700 -0.069 0.000 0.787 253 Y N -1.660 118.701 120.300 0.101 0.000 2.574 253 Y HA 0.038 4.592 4.550 0.008 0.000 0.294 253 Y C 1.680 177.706 175.900 0.210 0.000 1.142 253 Y CA 0.178 58.361 58.100 0.139 0.000 1.314 253 Y CB -1.866 36.609 38.460 0.024 0.000 0.991 253 Y HN -0.125 nan 8.280 nan 0.000 0.555 254 L N 0.256 121.537 121.223 0.096 0.000 2.610 254 L HA 0.127 4.472 4.340 0.009 0.000 0.232 254 L C 2.037 178.968 176.870 0.102 0.000 1.149 254 L CA 0.676 55.592 54.840 0.127 0.000 0.872 254 L CB -0.263 41.800 42.059 0.008 0.000 0.992 254 L HN 0.442 nan 8.230 nan 0.000 0.447 255 A N -1.460 121.445 122.820 0.142 0.000 2.348 255 A HA 0.230 4.555 4.320 0.009 0.000 0.224 255 A C 0.769 178.204 177.584 -0.248 0.000 1.227 255 A CA -0.050 51.960 52.037 -0.045 0.000 0.885 255 A CB -0.084 18.851 19.000 -0.108 0.000 0.933 255 A HN 0.347 nan 8.150 nan 0.000 0.506 256 F N -1.075 118.912 119.950 0.061 0.000 2.835 256 F HA 0.181 4.713 4.527 0.008 0.000 0.342 256 F C 1.121 176.977 175.800 0.093 0.000 1.202 256 F CA -0.525 57.517 58.000 0.070 0.000 1.240 256 F CB 0.541 39.590 39.000 0.082 0.000 1.005 256 F HN 0.148 nan 8.300 nan 0.000 0.507 257 D N 0.230 120.747 120.400 0.195 0.000 2.182 257 D HA -0.154 4.492 4.640 0.009 0.000 0.201 257 D C 2.052 178.419 176.300 0.113 0.000 0.986 257 D CA 1.845 55.947 54.000 0.170 0.000 0.847 257 D CB 0.409 41.279 40.800 0.117 0.000 0.942 257 D HN 0.139 nan 8.370 nan 0.000 0.467 258 S N -0.507 115.241 115.700 0.079 0.000 2.336 258 S HA -0.130 4.345 4.470 0.009 0.000 0.214 258 S C 2.005 176.643 174.600 0.064 0.000 1.032 258 S CA 1.057 59.285 58.200 0.047 0.000 1.001 258 S CB -0.328 62.884 63.200 0.021 0.000 0.953 258 S HN 0.244 nan 8.310 nan 0.000 0.430 259 I N 1.345 121.982 120.570 0.111 0.000 2.264 259 I HA -0.140 4.036 4.170 0.009 0.000 0.248 259 I C 2.019 178.198 176.117 0.103 0.000 1.111 259 I CA 0.929 62.300 61.300 0.118 0.000 1.382 259 I CB -0.635 37.477 38.000 0.186 0.000 1.060 259 I HN 0.144 nan 8.210 nan 0.000 0.418 260 L N -0.401 120.906 121.223 0.140 0.000 2.007 260 L HA -0.165 4.181 4.340 0.009 0.000 0.205 260 L C 2.565 179.404 176.870 -0.052 0.000 1.073 260 L CA 1.509 56.431 54.840 0.136 0.000 0.744 260 L CB -1.048 41.190 42.059 0.297 0.000 0.898 260 L HN 0.315 nan 8.230 nan 0.000 0.435 261 C N -0.529 118.674 119.300 -0.162 0.000 2.396 261 C HA -0.223 4.242 4.460 0.009 0.000 0.277 261 C C 2.819 177.678 174.990 -0.218 0.000 1.231 261 C CA 1.140 59.934 59.018 -0.373 0.000 1.775 261 C CB -0.709 26.923 27.740 -0.181 0.000 2.036 261 C HN 0.567 nan 8.230 nan 0.000 0.484 262 E N 1.151 121.296 120.200 -0.091 0.000 2.047 262 E HA 0.029 4.384 4.350 0.009 0.000 0.191 262 E C 1.167 177.749 176.600 -0.030 0.000 0.987 262 E CA 1.044 57.416 56.400 -0.047 0.000 0.799 262 E CB -0.322 29.372 29.700 -0.010 0.000 0.752 262 E HN 0.601 nan 8.360 nan 0.000 0.449 263 A N 0.326 123.147 122.820 0.001 0.000 2.448 263 A HA 0.266 4.592 4.320 0.009 0.000 0.239 263 A C 0.097 177.719 177.584 0.063 0.000 1.080 263 A CA -0.108 51.966 52.037 0.062 0.000 0.779 263 A CB 0.050 19.115 19.000 0.108 0.000 1.026 263 A HN 0.343 nan 8.150 nan 0.000 0.499 264 L N 0.078 121.382 121.223 0.134 0.000 2.569 264 L HA 0.374 4.719 4.340 0.009 0.000 0.247 264 L C 0.694 177.671 176.870 0.179 0.000 1.135 264 L CA -0.475 54.444 54.840 0.132 0.000 0.812 264 L CB 0.735 42.832 42.059 0.063 0.000 1.431 264 L HN 0.857 nan 8.230 nan 0.000 0.499 265 Q N -1.015 118.857 119.800 0.121 0.000 2.418 265 Q HA 0.504 4.849 4.340 0.009 0.000 0.276 265 Q C -1.315 174.620 176.000 -0.108 0.000 1.081 265 Q CA -0.874 54.970 55.803 0.067 0.000 0.864 265 Q CB 2.365 31.165 28.738 0.102 0.000 1.384 265 Q HN 0.469 nan 8.270 nan 0.000 0.467 266 H N -0.330 118.776 119.070 0.059 0.000 2.824 266 H HA 0.483 5.044 4.556 0.009 0.000 0.345 266 H C -0.816 174.532 175.328 0.034 0.000 1.252 266 H CA -0.986 55.084 56.048 0.036 0.000 1.246 266 H CB 1.636 31.363 29.762 -0.059 0.000 1.908 266 H HN 0.427 nan 8.280 nan 0.000 0.601 267 N N 0.470 119.272 118.700 0.170 0.000 2.272 267 N HA 0.298 5.043 4.740 0.009 0.000 0.305 267 N C -0.885 174.660 175.510 0.059 0.000 1.103 267 N CA -0.636 52.468 53.050 0.089 0.000 0.791 267 N CB 1.982 40.512 38.487 0.072 0.000 1.356 267 N HN 0.324 nan 8.380 nan 0.000 0.486 268 L N 2.859 124.096 121.223 0.024 0.000 2.260 268 L HA 0.397 4.742 4.340 0.009 0.000 0.289 268 L C -1.906 174.979 176.870 0.025 0.000 1.057 268 L CA -1.587 53.254 54.840 0.002 0.000 0.811 268 L CB 0.665 42.694 42.059 -0.050 0.000 1.184 268 L HN 0.248 nan 8.230 nan 0.000 0.429 269 P HA 0.046 nan 4.420 nan 0.000 0.262 269 P C -2.352 175.000 177.300 0.086 0.000 1.182 269 P CA -0.784 62.349 63.100 0.056 0.000 0.761 269 P CB -0.238 31.496 31.700 0.057 0.000 0.795 270 P HA -0.069 nan 4.420 nan 0.000 0.251 270 P C -0.602 176.772 177.300 0.124 0.000 1.154 270 P CA 0.492 63.640 63.100 0.081 0.000 0.805 270 P CB -0.446 31.279 31.700 0.042 0.000 0.759 271 F N 4.052 124.023 119.950 0.034 0.000 2.420 271 F HA 0.292 4.824 4.527 0.009 0.000 0.352 271 F C 0.134 175.995 175.800 0.103 0.000 1.108 271 F CA 0.110 58.158 58.000 0.080 0.000 1.162 271 F CB 0.848 39.925 39.000 0.129 0.000 1.118 271 F HN 0.060 nan 8.300 nan 0.000 0.510 272 T N 8.052 122.234 114.554 -0.619 0.000 2.809 272 T HA 0.307 4.663 4.350 0.009 0.000 0.296 272 T C -2.553 171.695 174.700 -0.754 0.000 1.015 272 T CA -1.333 60.484 62.100 -0.471 0.000 0.954 272 T CB 1.030 69.750 68.868 -0.247 0.000 0.950 272 T HN 0.337 nan 8.240 nan 0.000 0.450 273 P HA 0.157 nan 4.420 nan 0.000 0.262 273 P C -2.510 174.724 177.300 -0.110 0.000 1.182 273 P CA -1.069 61.941 63.100 -0.150 0.000 0.761 273 P CB -0.366 31.322 31.700 -0.020 0.000 0.795 274 P HA 0.077 nan 4.420 nan 0.000 0.257 274 P C -2.122 175.212 177.300 0.055 0.000 1.189 274 P CA -0.556 62.543 63.100 -0.001 0.000 0.780 274 P CB -0.826 30.891 31.700 0.029 0.000 0.772 275 P HA -0.105 nan 4.420 nan 0.000 0.267 275 P C -0.272 177.100 177.300 0.120 0.000 1.195 275 P CA 0.372 63.499 63.100 0.046 0.000 0.773 275 P CB 0.240 31.942 31.700 0.004 0.000 0.837 276 H N 1.069 120.178 119.070 0.065 0.000 2.767 276 H HA 0.375 4.937 4.556 0.009 0.000 0.316 276 H C -0.036 175.338 175.328 0.077 0.000 1.059 276 H CA 0.105 56.230 56.048 0.128 0.000 1.461 276 H CB -0.002 29.831 29.762 0.118 0.000 1.475 276 H HN 0.366 nan 8.280 nan 0.000 0.531 277 T N 0.646 114.961 114.554 -0.398 0.000 2.926 277 T HA 0.198 4.553 4.350 0.009 0.000 0.289 277 T C 0.764 175.188 174.700 -0.461 0.000 1.054 277 T CA -1.002 60.856 62.100 -0.403 0.000 1.015 277 T CB 1.355 70.126 68.868 -0.163 0.000 1.167 277 T HN 0.753 nan 8.240 nan 0.000 0.526 278 E N -0.455 119.591 120.200 -0.257 0.000 2.485 278 E HA -0.032 4.323 4.350 0.009 0.000 0.194 278 E C 0.037 176.600 176.600 -0.061 0.000 1.098 278 E CA 0.255 56.583 56.400 -0.120 0.000 0.878 278 E CB -0.005 29.654 29.700 -0.068 0.000 0.939 278 E HN 0.530 nan 8.360 nan 0.000 0.503 279 D N -0.385 119.967 120.400 -0.079 0.000 2.455 279 D HA -0.035 4.610 4.640 0.009 0.000 0.228 279 D C 0.514 176.771 176.300 -0.072 0.000 1.070 279 D CA 0.247 54.211 54.000 -0.060 0.000 0.881 279 D CB 0.129 40.892 40.800 -0.062 0.000 1.087 279 D HN 0.065 nan 8.370 nan 0.000 0.498 280 S N 0.861 116.508 115.700 -0.089 0.000 2.549 280 S HA 0.291 4.766 4.470 0.009 0.000 0.283 280 S C 0.156 174.576 174.600 -0.299 0.000 1.320 280 S CA -0.578 57.497 58.200 -0.208 0.000 1.058 280 S CB 1.486 64.531 63.200 -0.258 0.000 0.882 280 S HN -0.093 nan 8.310 nan 0.000 0.498 281 V N 4.382 124.081 119.914 -0.358 0.000 2.305 281 V HA 0.298 4.423 4.120 0.009 0.000 0.275 281 V C -0.997 174.833 176.094 -0.439 0.000 1.020 281 V CA -0.777 61.358 62.300 -0.274 0.000 0.811 281 V CB -0.523 31.229 31.823 -0.119 0.000 1.031 281 V HN 0.855 nan 8.190 nan 0.000 0.439 282 Y N 4.699 124.806 120.300 -0.321 0.000 2.301 282 Y HA 0.448 5.003 4.550 0.009 0.000 0.328 282 Y C -1.703 173.996 175.900 -0.334 0.000 1.242 282 Y CA -2.528 55.235 58.100 -0.561 0.000 1.323 282 Y CB 0.157 38.310 38.460 -0.513 0.000 1.266 282 Y HN 0.416 nan 8.280 nan 0.000 0.527 283 P HA 0.068 nan 4.420 nan 0.000 0.269 283 P C -0.717 176.494 177.300 -0.148 0.000 1.215 283 P CA 0.007 63.041 63.100 -0.109 0.000 0.780 283 P CB 0.490 32.170 31.700 -0.033 0.000 0.898 284 M N 3.329 122.807 119.600 -0.203 0.000 2.235 284 M HA 0.277 4.762 4.480 0.009 0.000 0.351 284 M C -2.012 174.085 176.300 -0.338 0.000 1.178 284 M CA -1.781 53.360 55.300 -0.265 0.000 1.143 284 M CB 0.306 32.736 32.600 -0.284 0.000 1.530 284 M HN 0.176 nan 8.290 nan 0.000 0.461 285 P HA 0.079 nan 4.420 nan 0.000 0.264 285 P C -0.884 176.226 177.300 -0.317 0.000 1.183 285 P CA 0.407 63.314 63.100 -0.321 0.000 0.763 285 P CB 0.489 31.980 31.700 -0.349 0.000 0.807 286 R N 1.200 121.405 120.500 -0.492 0.000 2.705 286 R HA 0.731 5.077 4.340 0.009 0.000 0.246 286 R C -0.910 175.463 176.300 0.121 0.000 1.142 286 R CA -1.038 54.928 56.100 -0.224 0.000 1.114 286 R CB 1.121 31.199 30.300 -0.370 0.000 1.256 286 R HN 0.155 nan 8.270 nan 0.000 0.536 287 V N 2.758 122.741 119.914 0.114 0.000 2.509 287 V HA 0.191 4.316 4.120 0.009 0.000 0.289 287 V C -0.456 175.751 176.094 0.188 0.000 1.026 287 V CA -0.825 61.579 62.300 0.172 0.000 0.872 287 V CB 1.559 33.459 31.823 0.129 0.000 1.017 287 V HN 0.562 nan 8.190 nan 0.000 0.436 288 I N 4.774 125.475 120.570 0.218 0.000 2.845 288 I HA -0.045 4.130 4.170 0.009 0.000 0.290 288 I C 0.168 176.431 176.117 0.244 0.000 1.202 288 I CA 0.709 62.150 61.300 0.234 0.000 1.406 288 I CB -0.663 37.472 38.000 0.226 0.000 1.383 288 I HN 0.568 nan 8.210 nan 0.000 0.549 289 F N 8.149 128.189 119.950 0.149 0.000 2.472 289 F HA 0.414 4.947 4.527 0.009 0.000 0.364 289 F C 0.444 176.345 175.800 0.169 0.000 1.090 289 F CA -0.398 57.701 58.000 0.165 0.000 1.188 289 F CB 0.392 39.492 39.000 0.167 0.000 1.105 289 F HN 0.503 nan 8.300 nan 0.000 0.536 290 R N 7.308 127.540 120.500 -0.447 0.000 2.538 290 R HA 0.459 4.805 4.340 0.009 0.000 0.292 290 R C -0.662 175.222 176.300 -0.693 0.000 1.008 290 R CA -0.468 55.398 56.100 -0.389 0.000 0.896 290 R CB 1.168 31.367 30.300 -0.168 0.000 1.187 290 R HN 0.845 nan 8.270 nan 0.000 0.440 291 M N 1.162 120.303 119.600 -0.765 0.000 2.204 291 M HA 0.478 4.963 4.480 0.009 0.000 0.407 291 M C -1.316 174.287 176.300 -1.162 0.000 0.920 291 M CA -0.273 54.454 55.300 -0.955 0.000 1.037 291 M CB 0.944 33.100 32.600 -0.740 0.000 2.010 291 M HN 0.208 nan 8.290 nan 0.000 0.674 292 F N 2.065 121.583 119.950 -0.721 0.000 2.565 292 F HA 0.695 5.228 4.527 0.009 0.000 0.313 292 F C -0.619 175.028 175.800 -0.256 0.000 1.091 292 F CA -0.940 56.856 58.000 -0.340 0.000 0.915 292 F CB 1.671 40.625 39.000 -0.076 0.000 1.208 292 F HN 0.287 nan 8.300 nan 0.000 0.453 293 D N -0.149 120.392 120.400 0.235 0.000 2.636 293 D HA 0.202 4.847 4.640 0.009 0.000 0.275 293 D C 0.467 176.829 176.300 0.104 0.000 1.130 293 D CA -0.675 53.453 54.000 0.214 0.000 1.031 293 D CB 0.227 41.212 40.800 0.307 0.000 1.451 293 D HN 0.452 nan 8.370 nan 0.000 0.505 294 Y N -1.024 119.286 120.300 0.016 0.000 2.315 294 Y HA -0.123 4.432 4.550 0.009 0.000 0.288 294 Y C 2.091 177.957 175.900 -0.056 0.000 1.154 294 Y CA 1.981 60.053 58.100 -0.048 0.000 1.229 294 Y CB -1.367 37.074 38.460 -0.032 0.000 0.980 294 Y HN 0.452 nan 8.280 nan 0.000 0.540 295 T N -2.403 111.640 114.554 -0.851 0.000 2.867 295 T HA -0.183 4.172 4.350 0.009 0.000 0.268 295 T C 1.408 175.940 174.700 -0.280 0.000 1.057 295 T CA 1.433 63.105 62.100 -0.712 0.000 1.136 295 T CB -0.636 67.889 68.868 -0.571 0.000 0.874 295 T HN 0.393 nan 8.240 nan 0.000 0.466 296 D N 1.765 122.089 120.400 -0.128 0.000 2.263 296 D HA -0.006 4.640 4.640 0.009 0.000 0.208 296 D C 0.453 176.688 176.300 -0.108 0.000 0.971 296 D CA 1.116 55.139 54.000 0.039 0.000 0.867 296 D CB -0.198 40.815 40.800 0.356 0.000 0.929 296 D HN 0.573 nan 8.370 nan 0.000 0.492 297 D N -1.070 119.130 120.400 -0.333 0.000 2.443 297 D HA 0.168 4.813 4.640 0.009 0.000 0.281 297 D C -2.160 174.007 176.300 -0.221 0.000 1.210 297 D CA -1.804 51.920 54.000 -0.461 0.000 0.875 297 D CB 1.307 41.470 40.800 -1.063 0.000 1.125 297 D HN -0.156 nan 8.370 nan 0.000 0.503 298 P HA 0.075 nan 4.420 nan 0.000 0.236 298 P C 0.766 178.051 177.300 -0.024 0.000 1.177 298 P CA 0.521 63.591 63.100 -0.049 0.000 0.773 298 P CB 0.577 32.252 31.700 -0.043 0.000 0.878 299 E N -0.220 119.959 120.200 -0.035 0.000 2.086 299 E HA 0.072 4.428 4.350 0.009 0.000 0.190 299 E C 1.495 178.090 176.600 -0.009 0.000 0.975 299 E CA 0.564 56.959 56.400 -0.008 0.000 0.813 299 E CB -0.381 29.326 29.700 0.012 0.000 0.768 299 E HN 0.185 nan 8.360 nan 0.000 0.457 300 G N 1.542 110.322 108.800 -0.034 0.000 2.531 300 G HA2 0.310 4.276 3.960 0.009 0.000 0.281 300 G HA3 0.310 4.276 3.960 0.009 0.000 0.281 300 G C -2.458 172.430 174.900 -0.020 0.000 1.382 300 G CA -1.025 44.062 45.100 -0.021 0.000 1.045 300 G HN -0.092 nan 8.290 nan 0.000 0.533 301 P HA 0.186 nan 4.420 nan 0.000 0.268 301 P C -0.120 177.182 177.300 0.003 0.000 1.208 301 P CA -0.452 62.653 63.100 0.009 0.000 0.777 301 P CB 0.616 32.333 31.700 0.029 0.000 0.875 302 V N 3.505 123.429 119.914 0.017 0.000 2.529 302 V HA -0.019 4.107 4.120 0.009 0.000 0.292 302 V C 0.884 177.002 176.094 0.041 0.000 1.028 302 V CA 0.187 62.507 62.300 0.033 0.000 1.074 302 V CB 0.003 31.812 31.823 -0.023 0.000 0.958 302 V HN 0.577 nan 8.190 nan 0.000 0.481 303 M N 8.465 128.106 119.600 0.067 0.000 2.217 303 M HA 0.286 4.771 4.480 0.009 0.000 0.352 303 M C -2.219 174.143 176.300 0.103 0.000 1.376 303 M CA -1.317 54.033 55.300 0.083 0.000 1.107 303 M CB 0.872 33.483 32.600 0.019 0.000 1.723 303 M HN 0.388 nan 8.290 nan 0.000 0.461 304 P HA 0.034 nan 4.420 nan 0.000 0.262 304 P C -0.184 177.167 177.300 0.085 0.000 1.182 304 P CA 0.180 63.320 63.100 0.067 0.000 0.761 304 P CB 0.235 31.954 31.700 0.032 0.000 0.795 305 G N 2.121 110.950 108.800 0.049 0.000 2.647 305 G HA2 -0.032 3.933 3.960 0.009 0.000 0.234 305 G HA3 -0.032 3.933 3.960 0.009 0.000 0.234 305 G C 1.081 176.013 174.900 0.054 0.000 1.252 305 G CA -0.302 44.831 45.100 0.054 0.000 0.846 305 G HN 0.428 nan 8.290 nan 0.000 0.589 306 S N 0.016 115.722 115.700 0.009 0.000 2.447 306 S HA -0.082 4.393 4.470 0.009 0.000 0.233 306 S C 1.505 176.040 174.600 -0.108 0.000 1.006 306 S CA 1.187 59.352 58.200 -0.059 0.000 0.957 306 S CB -0.173 62.940 63.200 -0.146 0.000 0.773 306 S HN 0.725 nan 8.310 nan 0.000 0.507 307 H N 0.615 119.711 119.070 0.043 0.000 2.586 307 H HA 0.238 4.799 4.556 0.009 0.000 0.273 307 H C 0.714 176.027 175.328 -0.024 0.000 0.997 307 H CA -0.078 55.973 56.048 0.006 0.000 1.177 307 H CB 0.404 30.150 29.762 -0.027 0.000 1.471 307 H HN 0.269 nan 8.280 nan 0.000 0.538 308 S N 1.038 116.790 115.700 0.087 0.000 2.510 308 S HA 0.010 4.485 4.470 0.009 0.000 0.279 308 S C 1.706 176.328 174.600 0.035 0.000 1.284 308 S CA -0.259 57.958 58.200 0.028 0.000 1.059 308 S CB 1.179 64.388 63.200 0.015 0.000 0.901 308 S HN 0.239 nan 8.310 nan 0.000 0.491 309 V N 0.791 120.695 119.914 -0.016 0.000 2.867 309 V HA -0.119 4.007 4.120 0.009 0.000 0.260 309 V C 1.956 178.080 176.094 0.051 0.000 1.099 309 V CA 1.633 63.931 62.300 -0.004 0.000 1.122 309 V CB -1.458 30.304 31.823 -0.102 0.000 0.708 309 V HN 0.804 nan 8.190 nan 0.000 0.490 310 E N 0.898 121.103 120.200 0.007 0.000 2.106 310 E HA -0.149 4.206 4.350 0.009 0.000 0.192 310 E C 2.288 178.860 176.600 -0.047 0.000 0.984 310 E CA 1.245 57.629 56.400 -0.026 0.000 0.806 310 E CB -0.423 29.242 29.700 -0.059 0.000 0.750 310 E HN 0.521 nan 8.360 nan 0.000 0.458 311 R N 0.029 120.537 120.500 0.012 0.000 2.120 311 R HA -0.090 4.255 4.340 0.009 0.000 0.234 311 R C 1.832 178.197 176.300 0.108 0.000 1.123 311 R CA 0.972 57.092 56.100 0.033 0.000 0.975 311 R CB -0.629 29.733 30.300 0.103 0.000 0.866 311 R HN 0.284 nan 8.270 nan 0.000 0.446 312 F N -0.672 119.302 119.950 0.039 0.000 2.293 312 F HA -0.063 4.469 4.527 0.009 0.000 0.300 312 F C 1.406 177.285 175.800 0.132 0.000 1.086 312 F CA 1.001 59.063 58.000 0.103 0.000 1.375 312 F CB 0.156 39.214 39.000 0.098 0.000 1.045 312 F HN -0.135 nan 8.300 nan 0.000 0.516 313 V N 0.486 120.452 119.914 0.087 0.000 2.426 313 V HA -0.187 3.938 4.120 0.009 0.000 0.242 313 V C 2.340 178.480 176.094 0.076 0.000 1.036 313 V CA 1.529 63.884 62.300 0.093 0.000 1.044 313 V CB -0.460 31.460 31.823 0.160 0.000 0.688 313 V HN 0.280 nan 8.190 nan 0.000 0.462 314 I N 0.528 121.063 120.570 -0.058 0.000 2.091 314 I HA -0.327 3.848 4.170 0.009 0.000 0.239 314 I C 2.592 178.620 176.117 -0.148 0.000 1.061 314 I CA 2.132 63.320 61.300 -0.186 0.000 1.317 314 I CB -0.603 37.089 38.000 -0.515 0.000 1.031 314 I HN 0.367 nan 8.210 nan 0.000 0.401 315 E N 0.391 120.553 120.200 -0.064 0.000 2.085 315 E HA -0.295 4.060 4.350 0.009 0.000 0.194 315 E C 2.030 178.756 176.600 0.210 0.000 0.994 315 E CA 1.553 58.011 56.400 0.096 0.000 0.801 315 E CB -0.140 29.683 29.700 0.205 0.000 0.743 315 E HN 0.392 nan 8.360 nan 0.000 0.453 316 E N 1.234 121.476 120.200 0.069 0.000 2.021 316 E HA -0.212 4.144 4.350 0.009 0.000 0.200 316 E C 1.820 178.533 176.600 0.189 0.000 1.015 316 E CA 1.552 57.997 56.400 0.075 0.000 0.824 316 E CB -0.161 29.490 29.700 -0.083 0.000 0.762 316 E HN 0.120 nan 8.360 nan 0.000 0.454 317 N N 0.037 118.853 118.700 0.194 0.000 2.094 317 N HA -0.175 4.570 4.740 0.009 0.000 0.191 317 N C 1.995 177.586 175.510 0.134 0.000 1.023 317 N CA 1.226 54.420 53.050 0.239 0.000 0.857 317 N CB -0.357 38.392 38.487 0.436 0.000 1.013 317 N HN 0.224 nan 8.380 nan 0.000 0.426 318 L N -0.021 121.185 121.223 -0.029 0.000 2.046 318 L HA -0.194 4.151 4.340 0.009 0.000 0.208 318 L C 2.170 179.043 176.870 0.005 0.000 1.077 318 L CA 1.235 56.015 54.840 -0.101 0.000 0.747 318 L CB -0.555 41.374 42.059 -0.217 0.000 0.896 318 L HN 0.241 nan 8.230 nan 0.000 0.432 319 H N -1.291 117.810 119.070 0.052 0.000 2.289 319 H HA -0.215 4.346 4.556 0.009 0.000 0.296 319 H C 2.401 177.812 175.328 0.138 0.000 1.091 319 H CA 2.293 58.401 56.048 0.100 0.000 1.274 319 H CB -0.323 29.502 29.762 0.104 0.000 1.364 319 H HN 0.374 nan 8.280 nan 0.000 0.490 320 C N 0.038 119.503 119.300 0.275 0.000 2.435 320 C HA -0.070 4.395 4.460 0.009 0.000 0.279 320 C C 2.763 177.864 174.990 0.184 0.000 1.321 320 C CA 0.473 59.618 59.018 0.212 0.000 1.752 320 C CB -0.914 26.909 27.740 0.138 0.000 1.959 320 C HN 0.513 nan 8.230 nan 0.000 0.500 321 I N 0.917 121.599 120.570 0.186 0.000 2.264 321 I HA -0.222 3.954 4.170 0.009 0.000 0.248 321 I C 2.344 178.610 176.117 0.247 0.000 1.111 321 I CA 1.728 63.164 61.300 0.227 0.000 1.382 321 I CB -0.347 37.758 38.000 0.174 0.000 1.060 321 I HN 0.333 nan 8.210 nan 0.000 0.418 322 I N 0.715 121.384 120.570 0.165 0.000 2.252 322 I HA -0.292 3.884 4.170 0.009 0.000 0.245 322 I C 2.646 178.878 176.117 0.192 0.000 1.102 322 I CA 1.224 62.604 61.300 0.133 0.000 1.385 322 I CB -0.438 37.596 38.000 0.056 0.000 1.064 322 I HN 0.238 nan 8.210 nan 0.000 0.414 323 K N 1.058 121.605 120.400 0.245 0.000 2.152 323 K HA -0.166 4.160 4.320 0.009 0.000 0.206 323 K C 1.939 178.747 176.600 0.347 0.000 1.048 323 K CA 1.839 58.333 56.287 0.345 0.000 0.933 323 K CB 0.012 32.689 32.500 0.295 0.000 0.721 323 K HN 0.168 nan 8.250 nan 0.000 0.447 324 S N -0.352 115.428 115.700 0.133 0.000 2.496 324 S HA -0.000 4.475 4.470 0.009 0.000 0.224 324 S C 0.010 174.284 174.600 -0.543 0.000 0.996 324 S CA 0.411 58.499 58.200 -0.187 0.000 0.927 324 S CB 0.037 63.066 63.200 -0.285 0.000 0.774 324 S HN 0.514 nan 8.310 nan 0.000 0.524 325 H N -0.781 118.321 119.070 0.053 0.000 2.904 325 H HA 0.176 4.737 4.556 0.008 0.000 0.242 325 H C 0.961 176.230 175.328 -0.098 0.000 1.193 325 H CA -0.775 55.239 56.048 -0.057 0.000 0.946 325 H CB -0.267 29.479 29.762 -0.027 0.000 2.135 325 H HN 0.439 nan 8.280 nan 0.000 0.652 326 W N 1.376 122.613 121.300 -0.104 0.000 2.467 326 W HA 0.047 4.713 4.660 0.009 0.000 0.275 326 W C 0.421 176.839 176.519 -0.169 0.000 1.239 326 W CA 0.311 57.506 57.345 -0.250 0.000 1.266 326 W CB -0.256 28.835 29.460 -0.614 0.000 1.112 326 W HN 0.052 nan 8.180 nan 0.000 0.576 327 K N 1.007 120.782 120.400 -1.042 0.000 2.504 327 K HA -0.043 4.282 4.320 0.009 0.000 0.195 327 K C -0.196 176.167 176.600 -0.395 0.000 1.036 327 K CA 0.862 56.577 56.287 -0.954 0.000 0.984 327 K CB -0.051 31.848 32.500 -1.001 0.000 0.788 327 K HN 0.185 nan 8.250 nan 0.000 0.488 328 E N 0.336 120.391 120.200 -0.240 0.000 2.373 328 E HA 0.072 4.427 4.350 0.009 0.000 0.251 328 E C 0.166 176.729 176.600 -0.062 0.000 0.923 328 E CA -0.311 56.017 56.400 -0.120 0.000 0.798 328 E CB 1.367 31.016 29.700 -0.086 0.000 1.303 328 E HN 0.141 nan 8.360 nan 0.000 0.412 329 R N 2.559 123.028 120.500 -0.051 0.000 2.092 329 R HA -0.046 4.299 4.340 0.009 0.000 0.231 329 R C 1.194 177.479 176.300 -0.025 0.000 1.119 329 R CA 0.984 57.067 56.100 -0.029 0.000 0.970 329 R CB -0.028 30.261 30.300 -0.018 0.000 0.864 329 R HN 0.148 nan 8.270 nan 0.000 0.440 330 K N 0.134 120.517 120.400 -0.028 0.000 2.365 330 K HA 0.017 4.343 4.320 0.009 0.000 0.199 330 K C 1.199 177.778 176.600 -0.035 0.000 1.045 330 K CA 1.382 57.653 56.287 -0.026 0.000 0.962 330 K CB 0.281 32.766 32.500 -0.026 0.000 0.759 330 K HN 0.229 nan 8.250 nan 0.000 0.469 331 T N -0.391 114.139 114.554 -0.040 0.000 3.040 331 T HA -0.050 4.305 4.350 0.009 0.000 0.252 331 T C 1.768 176.404 174.700 -0.107 0.000 1.064 331 T CA 0.184 62.244 62.100 -0.066 0.000 1.110 331 T CB -0.063 68.786 68.868 -0.032 0.000 0.921 331 T HN 0.306 nan 8.240 nan 0.000 0.480 332 C N 1.953 121.229 119.300 -0.041 0.000 2.473 332 C HA 0.174 4.639 4.460 0.009 0.000 0.279 332 C C 3.101 178.068 174.990 -0.037 0.000 1.250 332 C CA 1.031 60.039 59.018 -0.016 0.000 1.713 332 C CB -1.263 26.490 27.740 0.022 0.000 2.066 332 C HN 0.579 nan 8.230 nan 0.000 0.474 333 A N 0.362 123.166 122.820 -0.027 0.000 1.940 333 A HA 0.066 4.391 4.320 0.009 0.000 0.219 333 A C 2.404 179.975 177.584 -0.022 0.000 1.176 333 A CA 2.363 54.390 52.037 -0.018 0.000 0.631 333 A CB -1.090 17.906 19.000 -0.007 0.000 0.814 333 A HN 0.840 nan 8.150 nan 0.000 0.446 334 A N -0.926 121.870 122.820 -0.039 0.000 1.835 334 A HA -0.194 4.131 4.320 0.009 0.000 0.215 334 A C 2.045 179.603 177.584 -0.044 0.000 1.199 334 A CA 1.655 53.668 52.037 -0.040 0.000 0.615 334 A CB -0.596 18.372 19.000 -0.053 0.000 0.838 334 A HN 0.465 nan 8.150 nan 0.000 0.444 335 Q N -0.949 118.792 119.800 -0.098 0.000 2.364 335 Q HA -0.102 4.244 4.340 0.009 0.000 0.209 335 Q C 1.903 177.905 176.000 0.003 0.000 0.977 335 Q CA 0.852 56.599 55.803 -0.092 0.000 0.885 335 Q CB -0.472 28.105 28.738 -0.268 0.000 0.941 335 Q HN 0.552 nan 8.270 nan 0.000 0.464 336 L N -0.495 120.729 121.223 0.001 0.000 2.068 336 L HA -0.086 4.260 4.340 0.009 0.000 0.204 336 L C 2.196 179.104 176.870 0.063 0.000 1.076 336 L CA 1.087 55.945 54.840 0.030 0.000 0.753 336 L CB -0.517 41.541 42.059 -0.002 0.000 0.910 336 L HN -0.079 nan 8.230 nan 0.000 0.439 337 V N -0.601 119.339 119.914 0.044 0.000 2.343 337 V HA -0.175 3.950 4.120 0.009 0.000 0.247 337 V C 1.622 177.770 176.094 0.090 0.000 1.051 337 V CA 1.463 63.798 62.300 0.058 0.000 1.036 337 V CB -0.783 31.059 31.823 0.033 0.000 0.654 337 V HN 0.669 nan 8.190 nan 0.000 0.451 338 S N -0.363 115.381 115.700 0.074 0.000 3.697 338 S HA 0.172 4.648 4.470 0.009 0.000 0.207 338 S C -0.448 174.219 174.600 0.112 0.000 1.459 338 S CA -0.398 57.843 58.200 0.068 0.000 1.122 338 S CB -0.849 62.366 63.200 0.025 0.000 1.311 338 S HN 0.477 nan 8.310 nan 0.000 0.487 339 Y N 2.623 122.939 120.300 0.027 0.000 2.326 339 Y HA 0.532 5.087 4.550 0.009 0.000 0.337 339 Y C -2.056 173.874 175.900 0.050 0.000 1.023 339 Y CA -2.145 55.981 58.100 0.044 0.000 1.143 339 Y CB 0.410 38.908 38.460 0.062 0.000 1.183 339 Y HN 0.301 nan 8.280 nan 0.000 0.485 340 P HA 0.540 nan 4.420 nan 0.000 0.321 340 P C -0.719 176.332 177.300 -0.415 0.000 1.338 340 P CA 0.237 63.080 63.100 -0.427 0.000 0.764 340 P CB 0.172 31.618 31.700 -0.423 0.000 1.641 341 G N -1.968 106.632 108.800 -0.334 0.000 2.312 341 G HA2 0.025 3.990 3.960 0.009 0.000 0.347 341 G HA3 0.025 3.990 3.960 0.009 0.000 0.347 341 G C -0.060 174.741 174.900 -0.165 0.000 1.564 341 G CA -0.145 44.809 45.100 -0.243 0.000 0.981 341 G HN 0.490 nan 8.290 nan 0.000 0.678 342 K N -0.272 120.031 120.400 -0.162 0.000 2.116 342 K HA 0.063 4.389 4.320 0.009 0.000 0.203 342 K C 0.929 177.526 176.600 -0.005 0.000 1.052 342 K CA 1.372 57.610 56.287 -0.082 0.000 0.952 342 K CB -0.045 32.411 32.500 -0.073 0.000 0.729 342 K HN 0.567 nan 8.250 nan 0.000 0.446 343 N N -0.747 117.990 118.700 0.062 0.000 2.761 343 N HA 0.189 4.935 4.740 0.009 0.000 0.283 343 N C -1.567 173.994 175.510 0.085 0.000 1.377 343 N CA -0.887 52.199 53.050 0.059 0.000 0.791 343 N CB 1.570 40.090 38.487 0.054 0.000 1.540 343 N HN -0.173 nan 8.380 nan 0.000 0.539 344 K N 1.571 122.010 120.400 0.064 0.000 2.339 344 K HA 0.391 4.717 4.320 0.009 0.000 0.286 344 K C -0.588 176.063 176.600 0.085 0.000 1.050 344 K CA 0.121 56.451 56.287 0.071 0.000 0.956 344 K CB 0.172 32.701 32.500 0.048 0.000 0.990 344 K HN 0.437 nan 8.250 nan 0.000 0.475 345 I N -0.522 120.116 120.570 0.114 0.000 2.865 345 I HA 0.437 4.612 4.170 0.009 0.000 0.302 345 I C -2.713 173.496 176.117 0.153 0.000 1.140 345 I CA -3.252 58.127 61.300 0.130 0.000 1.021 345 I CB 2.259 40.337 38.000 0.131 0.000 1.233 345 I HN 0.266 nan 8.210 nan 0.000 0.427 346 P HA 0.126 nan 4.420 nan 0.000 0.266 346 P C 0.398 177.824 177.300 0.211 0.000 1.419 346 P CA -0.187 62.978 63.100 0.109 0.000 1.112 346 P CB 0.436 32.090 31.700 -0.077 0.000 1.438 347 L N 3.513 124.849 121.223 0.188 0.000 2.093 347 L HA -0.114 4.232 4.340 0.009 0.000 0.208 347 L C 1.703 178.632 176.870 0.099 0.000 1.085 347 L CA 1.762 56.706 54.840 0.173 0.000 0.755 347 L CB -0.777 41.370 42.059 0.146 0.000 0.904 347 L HN 0.165 nan 8.230 nan 0.000 0.435 348 N N -0.868 117.875 118.700 0.072 0.000 2.069 348 N HA -0.250 4.495 4.740 0.009 0.000 0.191 348 N C 1.766 177.185 175.510 -0.152 0.000 1.031 348 N CA 1.809 54.841 53.050 -0.030 0.000 0.852 348 N CB -0.601 37.863 38.487 -0.038 0.000 1.018 348 N HN 0.400 nan 8.380 nan 0.000 0.423 349 Y N 0.044 120.165 120.300 -0.299 0.000 2.509 349 Y HA -0.030 4.525 4.550 0.009 0.000 0.293 349 Y C 1.962 177.543 175.900 -0.532 0.000 1.133 349 Y CA 0.797 58.516 58.100 -0.635 0.000 1.283 349 Y CB -0.176 37.764 38.460 -0.866 0.000 1.001 349 Y HN 0.325 nan 8.280 nan 0.000 0.555 350 H N -1.714 117.336 119.070 -0.032 0.000 2.406 350 H HA 0.063 4.624 4.556 0.009 0.000 0.304 350 H C 2.159 177.460 175.328 -0.044 0.000 1.042 350 H CA 0.873 56.913 56.048 -0.014 0.000 1.360 350 H CB -0.014 29.724 29.762 -0.039 0.000 1.448 350 H HN 0.103 nan 8.280 nan 0.000 0.553 351 I N 0.372 120.970 120.570 0.047 0.000 2.248 351 I HA -0.282 3.893 4.170 0.009 0.000 0.248 351 I C 1.805 177.884 176.117 -0.064 0.000 1.107 351 I CA 1.004 62.284 61.300 -0.032 0.000 1.373 351 I CB -0.064 37.916 38.000 -0.035 0.000 1.055 351 I HN 0.143 nan 8.210 nan 0.000 0.418 352 V N 0.224 120.101 119.914 -0.061 0.000 2.302 352 V HA -0.238 3.887 4.120 0.009 0.000 0.243 352 V C 2.354 178.475 176.094 0.046 0.000 1.036 352 V CA 1.778 64.029 62.300 -0.083 0.000 1.020 352 V CB -0.478 31.320 31.823 -0.041 0.000 0.657 352 V HN 0.424 nan 8.190 nan 0.000 0.453 353 E N -0.237 120.112 120.200 0.249 0.000 2.333 353 E HA -0.160 4.196 4.350 0.009 0.000 0.198 353 E C 1.999 178.765 176.600 0.277 0.000 1.007 353 E CA 0.919 57.605 56.400 0.477 0.000 0.845 353 E CB 0.168 30.237 29.700 0.615 0.000 0.766 353 E HN 0.440 nan 8.360 nan 0.000 0.507 354 V N 0.586 120.544 119.914 0.074 0.000 2.446 354 V HA -0.166 3.960 4.120 0.009 0.000 0.244 354 V C 2.160 178.128 176.094 -0.210 0.000 1.039 354 V CA 1.040 63.277 62.300 -0.105 0.000 1.045 354 V CB -0.162 31.537 31.823 -0.207 0.000 0.681 354 V HN 0.325 nan 8.190 nan 0.000 0.459 355 I N -0.765 119.681 120.570 -0.206 0.000 2.286 355 I HA -0.223 3.952 4.170 0.009 0.000 0.248 355 I C 2.255 178.108 176.117 -0.440 0.000 1.115 355 I CA 1.694 62.843 61.300 -0.252 0.000 1.392 355 I CB -0.348 37.471 38.000 -0.302 0.000 1.065 355 I HN 0.244 nan 8.210 nan 0.000 0.418 356 F N 0.976 120.685 119.950 -0.400 0.000 2.325 356 F HA -0.014 4.518 4.527 0.009 0.000 0.299 356 F C 2.573 177.834 175.800 -0.898 0.000 1.090 356 F CA 0.724 58.339 58.000 -0.643 0.000 1.392 356 F CB -1.000 37.798 39.000 -0.337 0.000 1.053 356 F HN -0.022 nan 8.300 nan 0.000 0.521 357 A N -0.416 122.045 122.820 -0.598 0.000 2.070 357 A HA -0.162 4.163 4.320 0.009 0.000 0.220 357 A C 2.117 179.538 177.584 -0.273 0.000 1.159 357 A CA 1.697 53.383 52.037 -0.585 0.000 0.656 357 A CB -0.498 18.522 19.000 0.033 0.000 0.800 357 A HN 0.433 nan 8.150 nan 0.000 0.453 358 E N -1.165 118.863 120.200 -0.286 0.000 2.099 358 E HA -0.005 4.350 4.350 0.009 0.000 0.191 358 E C 1.817 178.099 176.600 -0.531 0.000 0.962 358 E CA 0.527 56.783 56.400 -0.239 0.000 0.826 358 E CB -0.224 29.445 29.700 -0.051 0.000 0.788 358 E HN 0.433 nan 8.360 nan 0.000 0.461 359 L N 0.384 121.049 121.223 -0.929 0.000 2.187 359 L HA -0.121 4.224 4.340 0.009 0.000 0.213 359 L C 1.188 177.627 176.870 -0.717 0.000 1.100 359 L CA 1.653 55.879 54.840 -1.024 0.000 0.765 359 L CB -0.112 41.273 42.059 -1.123 0.000 0.904 359 L HN 0.018 nan 8.230 nan 0.000 0.437 360 F N -1.174 118.542 119.950 -0.391 0.000 2.678 360 F HA 0.311 4.843 4.527 0.009 0.000 0.305 360 F C 1.178 176.824 175.800 -0.256 0.000 1.090 360 F CA -0.689 57.111 58.000 -0.334 0.000 1.272 360 F CB -0.605 38.131 39.000 -0.440 0.000 1.060 360 F HN 0.081 nan 8.300 nan 0.000 0.576 361 Q N 2.019 121.762 119.800 -0.095 0.000 2.311 361 Q HA 0.258 4.604 4.340 0.009 0.000 0.272 361 Q C -0.841 175.131 176.000 -0.047 0.000 1.012 361 Q CA 0.230 56.001 55.803 -0.053 0.000 0.891 361 Q CB 0.657 29.359 28.738 -0.059 0.000 1.201 361 Q HN 0.303 nan 8.270 nan 0.000 0.391 362 L N 6.143 127.343 121.223 -0.039 0.000 2.334 362 L HA 0.350 4.695 4.340 0.009 0.000 0.276 362 L C -1.818 175.008 176.870 -0.072 0.000 1.014 362 L CA -2.092 52.720 54.840 -0.046 0.000 0.815 362 L CB 1.390 43.425 42.059 -0.041 0.000 1.268 362 L HN 0.616 nan 8.230 nan 0.000 0.428 363 P HA -0.047 nan 4.420 nan 0.000 0.205 363 P C -0.248 177.037 177.300 -0.024 0.000 1.203 363 P CA 0.695 63.765 63.100 -0.049 0.000 0.926 363 P CB 0.258 31.900 31.700 -0.097 0.000 0.767 364 A N -1.031 121.778 122.820 -0.018 0.000 2.337 364 A HA 0.639 4.964 4.320 0.009 0.000 0.331 364 A C -2.547 175.012 177.584 -0.042 0.000 1.137 364 A CA -1.808 50.223 52.037 -0.010 0.000 0.807 364 A CB -0.109 18.910 19.000 0.032 0.000 1.250 364 A HN -0.004 nan 8.150 nan 0.000 0.468 365 P HA 0.246 nan 4.420 nan 0.000 0.272 365 P C -2.019 175.244 177.300 -0.061 0.000 1.240 365 P CA -0.961 62.114 63.100 -0.041 0.000 0.791 365 P CB 0.052 31.747 31.700 -0.009 0.000 0.978 366 P HA -0.032 nan 4.420 nan 0.000 0.226 366 P C -0.437 176.342 177.300 -0.869 0.000 1.153 366 P CA 1.351 64.211 63.100 -0.400 0.000 0.777 366 P CB 0.094 31.610 31.700 -0.306 0.000 0.794 367 H N -3.408 115.595 119.070 -0.112 0.000 2.966 367 H HA 0.389 4.950 4.556 0.009 0.000 0.330 367 H C -0.575 174.726 175.328 -0.045 0.000 1.292 367 H CA -1.203 54.672 56.048 -0.288 0.000 1.127 367 H CB 0.220 29.635 29.762 -0.579 0.000 1.863 367 H HN -0.239 nan 8.280 nan 0.000 0.543 368 I N 1.661 122.272 120.570 0.069 0.000 2.880 368 I HA -0.105 4.071 4.170 0.009 0.000 0.296 368 I C 0.435 176.681 176.117 0.216 0.000 1.220 368 I CA 0.230 61.603 61.300 0.122 0.000 1.435 368 I CB 0.339 38.413 38.000 0.123 0.000 1.339 368 I HN 0.556 nan 8.210 nan 0.000 0.583 369 D N 4.859 125.384 120.400 0.210 0.000 2.123 369 D HA -0.189 4.456 4.640 0.009 0.000 0.196 369 D C 1.971 178.455 176.300 0.308 0.000 0.992 369 D CA 1.626 55.783 54.000 0.262 0.000 0.833 369 D CB -0.277 40.620 40.800 0.162 0.000 0.954 369 D HN 0.447 nan 8.370 nan 0.000 0.455 370 V N 0.894 120.936 119.914 0.213 0.000 3.078 370 V HA -0.139 3.987 4.120 0.009 0.000 0.265 370 V C 1.852 178.062 176.094 0.195 0.000 1.122 370 V CA 0.810 63.235 62.300 0.209 0.000 1.141 370 V CB -0.285 31.617 31.823 0.131 0.000 0.735 370 V HN 0.187 nan 8.190 nan 0.000 0.498 371 M N -0.341 119.335 119.600 0.126 0.000 2.132 371 M HA -0.169 4.316 4.480 0.009 0.000 0.263 371 M C 2.025 178.268 176.300 -0.096 0.000 1.065 371 M CA 2.202 57.478 55.300 -0.040 0.000 1.122 371 M CB -0.702 31.762 32.600 -0.227 0.000 1.365 371 M HN 0.552 nan 8.290 nan 0.000 0.411 372 Y N -0.025 120.315 120.300 0.065 0.000 2.373 372 Y HA -0.072 4.483 4.550 0.009 0.000 0.293 372 Y C 2.429 178.387 175.900 0.097 0.000 1.129 372 Y CA 1.499 59.603 58.100 0.006 0.000 1.226 372 Y CB -1.188 37.206 38.460 -0.109 0.000 1.000 372 Y HN 0.249 nan 8.280 nan 0.000 0.549 373 T N -0.690 114.092 114.554 0.381 0.000 2.720 373 T HA -0.213 4.142 4.350 0.009 0.000 0.268 373 T C 2.076 176.959 174.700 0.305 0.000 1.037 373 T CA 2.167 64.558 62.100 0.485 0.000 1.144 373 T CB -0.594 68.594 68.868 0.533 0.000 0.864 373 T HN 0.606 nan 8.240 nan 0.000 0.444 374 T N 0.493 115.162 114.554 0.191 0.000 2.978 374 T HA 0.182 4.537 4.350 0.009 0.000 0.262 374 T C 2.005 176.755 174.700 0.083 0.000 1.063 374 T CA 0.262 62.425 62.100 0.103 0.000 1.140 374 T CB -0.567 68.342 68.868 0.069 0.000 0.886 374 T HN 0.233 nan 8.240 nan 0.000 0.470 375 L N 0.356 121.620 121.223 0.069 0.000 1.989 375 L HA 0.025 4.370 4.340 0.009 0.000 0.211 375 L C 2.681 179.587 176.870 0.061 0.000 1.071 375 L CA 1.528 56.388 54.840 0.033 0.000 0.749 375 L CB -0.398 41.652 42.059 -0.015 0.000 0.890 375 L HN 0.285 nan 8.230 nan 0.000 0.431 376 L N -0.469 120.815 121.223 0.102 0.000 2.131 376 L HA -0.270 4.075 4.340 0.009 0.000 0.210 376 L C 2.407 179.395 176.870 0.196 0.000 1.092 376 L CA 1.213 56.130 54.840 0.129 0.000 0.759 376 L CB -0.280 41.886 42.059 0.179 0.000 0.903 376 L HN 0.332 nan 8.230 nan 0.000 0.435 377 I N -0.897 119.799 120.570 0.210 0.000 2.439 377 I HA -0.191 3.984 4.170 0.009 0.000 0.251 377 I C 2.373 178.562 176.117 0.120 0.000 1.139 377 I CA 0.764 62.178 61.300 0.189 0.000 1.438 377 I CB -0.176 37.873 38.000 0.082 0.000 1.085 377 I HN 0.256 nan 8.210 nan 0.000 0.427 378 E N 0.732 120.977 120.200 0.076 0.000 2.152 378 E HA -0.081 4.274 4.350 0.009 0.000 0.192 378 E C 2.294 178.920 176.600 0.043 0.000 0.983 378 E CA 0.902 57.328 56.400 0.044 0.000 0.818 378 E CB -0.020 29.693 29.700 0.021 0.000 0.758 378 E HN 0.493 nan 8.360 nan 0.000 0.467 379 L N -0.133 121.119 121.223 0.049 0.000 2.291 379 L HA -0.105 4.241 4.340 0.009 0.000 0.214 379 L C 2.218 179.114 176.870 0.043 0.000 1.120 379 L CA 0.417 55.278 54.840 0.035 0.000 0.799 379 L CB -0.100 41.972 42.059 0.023 0.000 0.925 379 L HN 0.125 nan 8.230 nan 0.000 0.446 380 C N -0.529 118.814 119.300 0.071 0.000 2.539 380 C HA -0.012 4.453 4.460 0.009 0.000 0.268 380 C C 2.469 177.494 174.990 0.057 0.000 1.395 380 C CA 0.190 59.246 59.018 0.063 0.000 1.757 380 C CB -0.697 27.096 27.740 0.089 0.000 1.851 380 C HN 0.419 nan 8.230 nan 0.000 0.545 381 K N -0.035 120.401 120.400 0.060 0.000 2.284 381 K HA 0.103 4.429 4.320 0.009 0.000 0.198 381 K C 1.570 178.186 176.600 0.026 0.000 1.048 381 K CA 0.460 56.774 56.287 0.044 0.000 0.987 381 K CB -0.007 32.517 32.500 0.039 0.000 0.800 381 K HN 0.226 nan 8.250 nan 0.000 0.486 382 L N 0.650 121.887 121.223 0.023 0.000 2.416 382 L HA 0.063 4.408 4.340 0.009 0.000 0.216 382 L C 0.110 176.989 176.870 0.015 0.000 1.098 382 L CA 1.257 56.106 54.840 0.015 0.000 0.840 382 L CB 0.520 42.587 42.059 0.012 0.000 0.981 382 L HN -0.008 nan 8.230 nan 0.000 0.462 383 Q N -0.858 118.952 119.800 0.017 0.000 3.075 383 Q HA 0.261 4.607 4.340 0.009 0.000 0.318 383 Q C -1.955 174.050 176.000 0.009 0.000 0.907 383 Q CA -1.498 54.313 55.803 0.013 0.000 0.882 383 Q CB 1.113 29.859 28.738 0.013 0.000 1.386 383 Q HN 0.143 nan 8.270 nan 0.000 0.408 384 P HA -0.134 nan 4.420 nan 0.000 0.215 384 P C 0.863 178.158 177.300 -0.008 0.000 1.157 384 P CA 1.366 64.466 63.100 0.001 0.000 0.874 384 P CB 0.344 32.046 31.700 0.003 0.000 0.790 385 G N -1.953 106.845 108.800 -0.003 0.000 4.486 385 G HA2 0.336 4.301 3.960 0.009 0.000 0.306 385 G HA3 0.336 4.301 3.960 0.009 0.000 0.306 385 G C 0.438 175.339 174.900 0.003 0.000 1.331 385 G CA 0.361 45.458 45.100 -0.004 0.000 1.113 385 G HN 0.323 nan 8.290 nan 0.000 0.594 386 S N -1.092 114.609 115.700 0.002 0.000 2.961 386 S HA 0.111 4.587 4.470 0.009 0.000 0.253 386 S C 1.447 176.043 174.600 -0.008 0.000 1.029 386 S CA -0.053 58.153 58.200 0.009 0.000 1.087 386 S CB -0.229 62.983 63.200 0.019 0.000 0.932 386 S HN 0.122 nan 8.310 nan 0.000 0.418 387 L N 2.847 124.063 121.223 -0.013 0.000 2.068 387 L HA 0.300 4.645 4.340 0.009 0.000 0.204 387 L C -1.225 175.628 176.870 -0.028 0.000 1.076 387 L CA 1.608 56.430 54.840 -0.030 0.000 0.753 387 L CB -1.813 40.239 42.059 -0.011 0.000 0.910 387 L HN 0.165 nan 8.230 nan 0.000 0.439 388 P HA -0.207 nan 4.420 nan 0.000 0.215 388 P C 1.408 178.709 177.300 0.002 0.000 1.157 388 P CA 1.597 64.690 63.100 -0.012 0.000 0.874 388 P CB 0.051 31.718 31.700 -0.055 0.000 0.790 389 Q N -0.773 119.020 119.800 -0.011 0.000 2.135 389 Q HA -0.123 4.222 4.340 0.009 0.000 0.204 389 Q C 2.082 178.082 176.000 0.001 0.000 0.981 389 Q CA 1.433 57.238 55.803 0.003 0.000 0.856 389 Q CB -1.492 27.250 28.738 0.007 0.000 0.902 389 Q HN 0.130 nan 8.270 nan 0.000 0.425 390 V N 0.181 120.045 119.914 -0.084 0.000 2.427 390 V HA -0.192 3.933 4.120 0.009 0.000 0.248 390 V C 1.962 178.032 176.094 -0.040 0.000 1.051 390 V CA 1.306 63.455 62.300 -0.252 0.000 1.048 390 V CB -0.500 31.010 31.823 -0.521 0.000 0.666 390 V HN 0.282 nan 8.190 nan 0.000 0.456 391 L N 0.635 121.890 121.223 0.054 0.000 2.156 391 L HA 0.042 4.387 4.340 0.009 0.000 0.208 391 L C 2.411 179.482 176.870 0.336 0.000 1.095 391 L CA 2.023 56.991 54.840 0.213 0.000 0.770 391 L CB -0.866 41.307 42.059 0.190 0.000 0.914 391 L HN 0.218 nan 8.230 nan 0.000 0.439 392 A N -1.076 121.895 122.820 0.251 0.000 1.855 392 A HA -0.267 4.058 4.320 0.009 0.000 0.215 392 A C 2.299 180.100 177.584 0.362 0.000 1.191 392 A CA 1.733 53.968 52.037 0.329 0.000 0.613 392 A CB -0.729 18.376 19.000 0.175 0.000 0.829 392 A HN 0.590 nan 8.150 nan 0.000 0.442 393 Q N -0.447 119.506 119.800 0.254 0.000 2.050 393 Q HA -0.161 4.184 4.340 0.009 0.000 0.202 393 Q C 2.188 178.384 176.000 0.327 0.000 0.980 393 Q CA 1.742 57.704 55.803 0.265 0.000 0.840 393 Q CB -0.381 28.498 28.738 0.236 0.000 0.898 393 Q HN 0.576 nan 8.270 nan 0.000 0.424 394 A N 0.087 123.135 122.820 0.380 0.000 1.986 394 A HA -0.211 4.114 4.320 0.009 0.000 0.220 394 A C 2.179 179.966 177.584 0.340 0.000 1.171 394 A CA 2.076 54.357 52.037 0.408 0.000 0.640 394 A CB -0.928 18.423 19.000 0.585 0.000 0.811 394 A HN 0.523 nan 8.150 nan 0.000 0.451 395 T N -0.920 113.939 114.554 0.509 0.000 2.732 395 T HA -0.086 4.270 4.350 0.009 0.000 0.261 395 T C 1.899 176.944 174.700 0.577 0.000 1.040 395 T CA 1.532 64.015 62.100 0.639 0.000 1.145 395 T CB -0.238 69.172 68.868 0.904 0.000 0.866 395 T HN 0.607 nan 8.240 nan 0.000 0.427 396 E N 1.064 121.620 120.200 0.593 0.000 2.097 396 E HA -0.139 4.216 4.350 0.009 0.000 0.196 396 E C 2.072 178.888 176.600 0.361 0.000 1.000 396 E CA 1.458 58.188 56.400 0.550 0.000 0.804 396 E CB -0.317 29.614 29.700 0.384 0.000 0.740 396 E HN 0.493 nan 8.360 nan 0.000 0.454 397 M N -0.558 119.165 119.600 0.205 0.000 2.132 397 M HA -0.130 4.355 4.480 0.009 0.000 0.263 397 M C 2.221 178.477 176.300 -0.074 0.000 1.065 397 M CA 1.179 56.495 55.300 0.025 0.000 1.122 397 M CB -0.279 32.271 32.600 -0.083 0.000 1.365 397 M HN 0.136 nan 8.290 nan 0.000 0.411 398 L N -1.145 120.031 121.223 -0.078 0.000 2.012 398 L HA -0.258 4.087 4.340 0.009 0.000 0.210 398 L C 2.661 179.425 176.870 -0.176 0.000 1.073 398 L CA 1.687 56.388 54.840 -0.231 0.000 0.748 398 L CB -0.899 40.793 42.059 -0.611 0.000 0.891 398 L HN 0.282 nan 8.230 nan 0.000 0.431 399 Y N 0.206 120.422 120.300 -0.140 0.000 2.097 399 Y HA -0.310 4.245 4.550 0.009 0.000 0.282 399 Y C 2.661 178.419 175.900 -0.238 0.000 1.152 399 Y CA 1.688 59.622 58.100 -0.276 0.000 1.136 399 Y CB -0.091 38.170 38.460 -0.331 0.000 0.975 399 Y HN 0.045 nan 8.280 nan 0.000 0.498 400 M N 0.423 120.019 119.600 -0.007 0.000 2.446 400 M HA -0.148 4.337 4.480 0.009 0.000 0.263 400 M C 0.932 177.098 176.300 -0.223 0.000 1.066 400 M CA 1.607 56.855 55.300 -0.088 0.000 1.087 400 M CB -0.822 31.805 32.600 0.044 0.000 1.406 400 M HN 0.324 nan 8.290 nan 0.000 0.459 401 R N -0.756 119.588 120.500 -0.260 0.000 2.633 401 R HA 0.173 4.519 4.340 0.009 0.000 0.348 401 R C 1.004 177.238 176.300 -0.109 0.000 1.100 401 R CA -0.369 55.555 56.100 -0.293 0.000 1.068 401 R CB 0.224 30.162 30.300 -0.604 0.000 1.351 401 R HN 0.085 nan 8.270 nan 0.000 0.575 402 L N 0.875 121.969 121.223 -0.215 0.000 2.313 402 L HA -0.053 4.292 4.340 0.009 0.000 0.214 402 L C 1.366 178.169 176.870 -0.111 0.000 1.119 402 L CA 1.559 56.287 54.840 -0.186 0.000 0.809 402 L CB -0.228 41.588 42.059 -0.404 0.000 0.933 402 L HN 0.123 nan 8.230 nan 0.000 0.449 403 D N -0.588 119.739 120.400 -0.123 0.000 2.190 403 D HA -0.142 4.504 4.640 0.009 0.000 0.200 403 D C 1.523 177.810 176.300 -0.021 0.000 0.992 403 D CA 1.893 55.847 54.000 -0.076 0.000 0.854 403 D CB 0.015 40.766 40.800 -0.082 0.000 0.936 403 D HN 0.418 nan 8.370 nan 0.000 0.462 404 T N -2.838 111.734 114.554 0.031 0.000 3.200 404 T HA 0.286 4.641 4.350 0.009 0.000 0.284 404 T C 0.751 175.520 174.700 0.116 0.000 1.009 404 T CA -0.425 61.716 62.100 0.069 0.000 0.907 404 T CB 0.516 69.425 68.868 0.069 0.000 1.120 404 T HN -0.064 nan 8.240 nan 0.000 0.534 405 M N 2.024 121.670 119.600 0.077 0.000 1.878 405 M HA 0.304 4.789 4.480 0.009 0.000 0.236 405 M C -0.125 176.057 176.300 -0.197 0.000 1.315 405 M CA -0.220 54.980 55.300 -0.167 0.000 0.986 405 M CB 0.526 32.983 32.600 -0.238 0.000 1.324 405 M HN 0.085 nan 8.290 nan 0.000 0.474 406 N N -0.037 118.483 118.700 -0.299 0.000 2.417 406 N HA 0.188 4.933 4.740 0.009 0.000 0.274 406 N C 0.038 175.446 175.510 -0.170 0.000 0.987 406 N CA -0.035 52.891 53.050 -0.208 0.000 0.912 406 N CB 1.456 39.813 38.487 -0.216 0.000 1.177 406 N HN 0.623 nan 8.380 nan 0.000 0.490 407 T N 1.909 116.380 114.554 -0.138 0.000 2.714 407 T HA -0.173 4.183 4.350 0.009 0.000 0.268 407 T C 1.452 176.086 174.700 -0.109 0.000 1.036 407 T CA 2.134 64.163 62.100 -0.119 0.000 1.148 407 T CB -0.078 68.690 68.868 -0.167 0.000 0.856 407 T HN 0.590 nan 8.240 nan 0.000 0.462 408 T N 1.261 115.735 114.554 -0.132 0.000 2.622 408 T HA -0.168 4.187 4.350 0.009 0.000 0.266 408 T C 2.315 176.998 174.700 -0.029 0.000 1.047 408 T CA 1.634 63.671 62.100 -0.105 0.000 1.159 408 T CB -0.831 67.975 68.868 -0.103 0.000 0.863 408 T HN 0.502 nan 8.240 nan 0.000 0.422 409 C N 1.209 120.481 119.300 -0.047 0.000 2.429 409 C HA -0.017 4.449 4.460 0.009 0.000 0.277 409 C C 2.869 177.934 174.990 0.125 0.000 1.262 409 C CA 0.050 59.094 59.018 0.044 0.000 1.733 409 C CB -1.355 26.236 27.740 -0.248 0.000 2.010 409 C HN 0.383 nan 8.230 nan 0.000 0.483 410 V N 1.700 121.622 119.914 0.013 0.000 2.453 410 V HA -0.258 3.868 4.120 0.009 0.000 0.252 410 V C 2.077 178.350 176.094 0.297 0.000 1.068 410 V CA 2.310 64.706 62.300 0.160 0.000 1.070 410 V CB -0.737 31.139 31.823 0.088 0.000 0.664 410 V HN 0.509 nan 8.190 nan 0.000 0.461 411 D N 0.200 120.715 120.400 0.191 0.000 2.084 411 D HA -0.160 4.485 4.640 0.009 0.000 0.194 411 D C 2.388 178.852 176.300 0.273 0.000 0.990 411 D CA 1.321 55.432 54.000 0.184 0.000 0.826 411 D CB -0.339 40.515 40.800 0.091 0.000 0.971 411 D HN 0.352 nan 8.370 nan 0.000 0.453 412 R N -0.224 120.458 120.500 0.302 0.000 2.152 412 R HA -0.068 4.277 4.340 0.009 0.000 0.232 412 R C 2.031 178.661 176.300 0.549 0.000 1.117 412 R CA 0.422 56.718 56.100 0.325 0.000 0.981 412 R CB -0.502 29.902 30.300 0.174 0.000 0.870 412 R HN 0.168 nan 8.270 nan 0.000 0.451 413 F N 0.804 121.084 119.950 0.549 0.000 2.163 413 F HA 0.030 4.563 4.527 0.009 0.000 0.297 413 F C 1.671 177.889 175.800 0.696 0.000 1.094 413 F CA 0.823 59.249 58.000 0.709 0.000 1.290 413 F CB -0.263 39.078 39.000 0.568 0.000 1.017 413 F HN -0.122 nan 8.300 nan 0.000 0.483 414 I N 0.234 121.043 120.570 0.397 0.000 2.226 414 I HA -0.334 3.841 4.170 0.009 0.000 0.245 414 I C 2.213 178.439 176.117 0.182 0.000 1.100 414 I CA 1.137 62.486 61.300 0.081 0.000 1.374 414 I CB -0.634 37.375 38.000 0.014 0.000 1.057 414 I HN 0.137 nan 8.210 nan 0.000 0.413 415 N N 0.395 119.262 118.700 0.278 0.000 2.039 415 N HA -0.247 4.498 4.740 0.009 0.000 0.193 415 N C 1.536 177.272 175.510 0.376 0.000 1.044 415 N CA 1.661 54.878 53.050 0.277 0.000 0.847 415 N CB -0.664 37.975 38.487 0.253 0.000 1.030 415 N HN 0.505 nan 8.380 nan 0.000 0.422 416 W N 1.437 122.926 121.300 0.316 0.000 2.333 416 W HA -0.179 4.487 4.660 0.009 0.000 0.316 416 W C 2.226 178.976 176.519 0.385 0.000 1.215 416 W CA 1.127 58.692 57.345 0.367 0.000 1.278 416 W CB -1.010 28.691 29.460 0.402 0.000 1.154 416 W HN 0.030 nan 8.180 nan 0.000 0.486 417 F N 2.203 122.079 119.950 -0.123 0.000 2.095 417 F HA -0.284 4.249 4.527 0.009 0.000 0.298 417 F C 2.935 178.564 175.800 -0.284 0.000 1.104 417 F CA 3.289 60.938 58.000 -0.584 0.000 1.232 417 F CB -0.910 37.895 39.000 -0.324 0.000 0.987 417 F HN 0.031 nan 8.300 nan 0.000 0.475 418 S N -1.382 114.394 115.700 0.125 0.000 2.368 418 S HA -0.306 4.170 4.470 0.009 0.000 0.224 418 S C 2.160 176.831 174.600 0.117 0.000 1.029 418 S CA 1.534 59.830 58.200 0.160 0.000 0.988 418 S CB -1.298 62.019 63.200 0.196 0.000 0.838 418 S HN 0.697 nan 8.310 nan 0.000 0.462 419 H N -0.176 118.896 119.070 0.004 0.000 2.546 419 H HA -0.029 4.532 4.556 0.009 0.000 0.277 419 H C 2.024 177.276 175.328 -0.126 0.000 1.004 419 H CA 1.183 57.218 56.048 -0.021 0.000 1.231 419 H CB -0.017 29.778 29.762 0.054 0.000 1.382 419 H HN 0.708 nan 8.280 nan 0.000 0.580 420 H N 0.061 118.888 119.070 -0.404 0.000 2.355 420 H HA 0.027 4.588 4.556 0.009 0.000 0.303 420 H C 2.419 177.512 175.328 -0.392 0.000 1.061 420 H CA 1.036 56.786 56.048 -0.496 0.000 1.368 420 H CB 0.019 29.289 29.762 -0.821 0.000 1.412 420 H HN 0.199 nan 8.280 nan 0.000 0.523 421 L N 0.395 121.433 121.223 -0.308 0.000 2.042 421 L HA -0.196 4.149 4.340 0.009 0.000 0.210 421 L C 2.635 179.165 176.870 -0.567 0.000 1.076 421 L CA 1.478 56.165 54.840 -0.255 0.000 0.749 421 L CB -0.728 41.306 42.059 -0.042 0.000 0.893 421 L HN 0.452 nan 8.230 nan 0.000 0.432 422 S N -0.728 114.580 115.700 -0.652 0.000 2.440 422 S HA -0.207 4.268 4.470 0.009 0.000 0.240 422 S C 1.582 175.712 174.600 -0.783 0.000 1.014 422 S CA 1.486 59.080 58.200 -1.010 0.000 0.980 422 S CB -0.634 62.374 63.200 -0.320 0.000 0.775 422 S HN 0.513 nan 8.310 nan 0.000 0.499 423 N N 0.427 118.701 118.700 -0.710 0.000 2.207 423 N HA 0.078 4.823 4.740 0.009 0.000 0.182 423 N C -0.354 174.636 175.510 -0.866 0.000 1.020 423 N CA 0.963 53.513 53.050 -0.833 0.000 0.858 423 N CB -0.060 37.762 38.487 -1.109 0.000 0.991 423 N HN 0.447 nan 8.380 nan 0.000 0.427 424 F N 1.805 121.502 119.950 -0.423 0.000 2.753 424 F HA 0.272 4.804 4.527 0.009 0.000 0.314 424 F C 0.256 175.914 175.800 -0.236 0.000 1.215 424 F CA -0.316 57.514 58.000 -0.283 0.000 1.243 424 F CB -0.095 38.765 39.000 -0.233 0.000 1.400 424 F HN -0.067 nan 8.300 nan 0.000 0.548 425 Q N -1.250 118.435 119.800 -0.191 0.000 2.468 425 Q HA -0.304 4.041 4.340 0.009 0.000 0.256 425 Q C 0.047 176.094 176.000 0.079 0.000 0.984 425 Q CA 0.851 56.609 55.803 -0.075 0.000 1.110 425 Q CB -2.364 26.392 28.738 0.030 0.000 1.527 425 Q HN 0.598 nan 8.270 nan 0.000 0.535 426 F N -2.069 117.906 119.950 0.042 0.000 3.069 426 F HA -0.291 4.242 4.527 0.009 0.000 0.285 426 F C 0.738 176.617 175.800 0.131 0.000 0.827 426 F CA 1.356 59.408 58.000 0.086 0.000 1.108 426 F CB -1.448 37.614 39.000 0.103 0.000 1.252 426 F HN 0.198 nan 8.300 nan 0.000 0.483 427 R N 1.005 121.618 120.500 0.189 0.000 2.370 427 R HA 0.260 4.605 4.340 0.009 0.000 0.309 427 R C -0.266 176.086 176.300 0.087 0.000 1.059 427 R CA 0.258 56.431 56.100 0.121 0.000 0.981 427 R CB 0.710 31.043 30.300 0.056 0.000 0.972 427 R HN 0.419 nan 8.270 nan 0.000 0.437 428 W N 2.756 123.861 121.300 -0.325 0.000 4.000 428 W HA 0.057 4.723 4.660 0.009 0.000 0.302 428 W C -1.413 174.613 176.519 -0.822 0.000 1.206 428 W CA -0.497 56.457 57.345 -0.651 0.000 1.286 428 W CB 1.591 30.470 29.460 -0.970 0.000 1.234 428 W HN 0.393 nan 8.180 nan 0.000 0.477 429 S N 4.785 119.770 115.700 -1.191 0.000 2.560 429 S HA -0.077 4.398 4.470 0.009 0.000 0.323 429 S C 0.757 174.718 174.600 -1.064 0.000 1.191 429 S CA 0.437 58.086 58.200 -0.919 0.000 1.231 429 S CB -0.219 62.519 63.200 -0.770 0.000 1.224 429 S HN 0.530 nan 8.310 nan 0.000 0.545 430 W N 2.035 123.011 121.300 -0.541 0.000 2.436 430 W HA -0.067 4.598 4.660 0.009 0.000 0.284 430 W C 2.358 178.541 176.519 -0.559 0.000 1.225 430 W CA 0.364 57.364 57.345 -0.576 0.000 1.271 430 W CB -0.072 28.959 29.460 -0.715 0.000 1.114 430 W HN 0.643 nan 8.180 nan 0.000 0.559 431 E N 0.631 120.741 120.200 -0.151 0.000 2.331 431 E HA -0.220 4.135 4.350 0.009 0.000 0.199 431 E C 0.793 177.437 176.600 0.074 0.000 1.008 431 E CA 1.527 57.978 56.400 0.084 0.000 0.843 431 E CB -0.695 29.043 29.700 0.064 0.000 0.761 431 E HN 0.254 nan 8.360 nan 0.000 0.507 432 D N 0.240 120.535 120.400 -0.174 0.000 2.221 432 D HA -0.156 4.489 4.640 0.009 0.000 0.204 432 D C 0.163 176.535 176.300 0.120 0.000 0.982 432 D CA 0.893 54.782 54.000 -0.184 0.000 0.857 432 D CB -0.195 40.269 40.800 -0.559 0.000 0.934 432 D HN 0.391 nan 8.370 nan 0.000 0.475 433 W N 1.039 122.447 121.300 0.179 0.000 1.948 433 W HA 0.355 5.021 4.660 0.009 0.000 0.335 433 W C 0.855 177.683 176.519 0.514 0.000 0.753 433 W CA -0.950 56.546 57.345 0.252 0.000 2.601 433 W CB -0.569 28.957 29.460 0.111 0.000 2.143 433 W HN -0.173 nan 8.180 nan 0.000 0.636 434 S N 0.522 116.557 115.700 0.557 0.000 2.470 434 S HA -0.155 4.320 4.470 0.009 0.000 0.225 434 S C 1.613 176.351 174.600 0.230 0.000 1.006 434 S CA 1.327 59.750 58.200 0.373 0.000 0.934 434 S CB 0.084 63.454 63.200 0.283 0.000 0.778 434 S HN 0.387 nan 8.310 nan 0.000 0.517 435 D N 1.543 122.113 120.400 0.284 0.000 2.351 435 D HA -0.115 4.530 4.640 0.009 0.000 0.216 435 D C 1.951 178.354 176.300 0.171 0.000 0.968 435 D CA 0.986 55.111 54.000 0.207 0.000 0.899 435 D CB -1.122 39.814 40.800 0.227 0.000 0.907 435 D HN 0.616 nan 8.370 nan 0.000 0.514 436 C N -0.907 118.522 119.300 0.215 0.000 2.512 436 C HA 0.303 4.768 4.460 0.009 0.000 0.276 436 C C 2.651 177.663 174.990 0.037 0.000 1.368 436 C CA -0.482 58.627 59.018 0.153 0.000 1.755 436 C CB -1.528 26.368 27.740 0.260 0.000 2.008 436 C HN 0.226 nan 8.230 nan 0.000 0.511 437 L N 2.626 123.823 121.223 -0.045 0.000 2.261 437 L HA -0.067 4.278 4.340 0.009 0.000 0.216 437 L C 1.726 178.573 176.870 -0.039 0.000 1.114 437 L CA 1.783 56.550 54.840 -0.120 0.000 0.777 437 L CB -0.407 41.543 42.059 -0.182 0.000 0.910 437 L HN 0.669 nan 8.230 nan 0.000 0.440 438 S N -1.316 114.386 115.700 0.003 0.000 2.143 438 S HA 0.510 4.986 4.470 0.009 0.000 0.188 438 S C -0.257 174.359 174.600 0.027 0.000 1.431 438 S CA -0.803 57.406 58.200 0.016 0.000 1.253 438 S CB 0.646 63.860 63.200 0.022 0.000 1.137 438 S HN 0.254 nan 8.310 nan 0.000 0.457 439 Q N 0.415 120.232 119.800 0.028 0.000 2.511 439 Q HA 0.323 4.669 4.340 0.009 0.000 0.289 439 Q C -1.810 174.211 176.000 0.036 0.000 1.021 439 Q CA -0.965 54.858 55.803 0.034 0.000 0.785 439 Q CB 1.439 30.200 28.738 0.039 0.000 1.472 439 Q HN 0.418 nan 8.270 nan 0.000 0.411 440 D N 1.636 122.060 120.400 0.040 0.000 2.412 440 D HA 0.035 4.681 4.640 0.009 0.000 0.257 440 D C -1.726 174.608 176.300 0.056 0.000 1.217 440 D CA -1.304 52.725 54.000 0.048 0.000 0.897 440 D CB 1.033 41.864 40.800 0.053 0.000 1.132 440 D HN 0.119 nan 8.370 nan 0.000 0.493 441 P HA -0.171 nan 4.420 nan 0.000 0.218 441 P C 0.637 177.986 177.300 0.082 0.000 1.146 441 P CA 1.237 64.377 63.100 0.067 0.000 0.820 441 P CB 0.190 31.930 31.700 0.065 0.000 0.778 442 E N -0.343 119.910 120.200 0.089 0.000 2.107 442 E HA -0.054 4.301 4.350 0.009 0.000 0.191 442 E C 0.893 177.547 176.600 0.090 0.000 0.982 442 E CA 0.544 57.008 56.400 0.106 0.000 0.809 442 E CB -0.353 29.423 29.700 0.126 0.000 0.756 442 E HN 0.335 nan 8.360 nan 0.000 0.459 443 S N 1.479 117.222 115.700 0.071 0.000 2.579 443 S HA 0.029 4.504 4.470 0.009 0.000 0.275 443 S C -2.000 172.624 174.600 0.039 0.000 1.345 443 S CA -1.279 56.951 58.200 0.050 0.000 1.031 443 S CB 0.791 64.012 63.200 0.035 0.000 0.892 443 S HN -0.226 nan 8.310 nan 0.000 0.529 444 P HA -0.224 nan 4.420 nan 0.000 0.205 444 P C 1.403 178.708 177.300 0.008 0.000 1.046 444 P CA 1.548 64.647 63.100 -0.003 0.000 0.968 444 P CB -0.064 31.593 31.700 -0.072 0.000 0.753 445 K N -0.913 119.427 120.400 -0.100 0.000 2.049 445 K HA -0.204 4.121 4.320 0.009 0.000 0.219 445 K C -0.206 176.473 176.600 0.132 0.000 1.056 445 K CA 2.940 59.157 56.287 -0.116 0.000 0.946 445 K CB -2.079 30.284 32.500 -0.229 0.000 0.723 445 K HN 0.298 nan 8.250 nan 0.000 0.453 446 P HA -0.210 nan 4.420 nan 0.000 0.215 446 P C 1.074 178.457 177.300 0.140 0.000 1.157 446 P CA 1.315 64.495 63.100 0.133 0.000 0.868 446 P CB 0.016 31.767 31.700 0.084 0.000 0.788 447 K N -1.070 119.404 120.400 0.123 0.000 2.032 447 K HA -0.195 4.130 4.320 0.009 0.000 0.209 447 K C 2.065 178.745 176.600 0.133 0.000 1.048 447 K CA 1.345 57.703 56.287 0.118 0.000 0.927 447 K CB -0.769 31.796 32.500 0.109 0.000 0.712 447 K HN -0.034 nan 8.250 nan 0.000 0.441 448 F N 1.463 121.422 119.950 0.015 0.000 2.043 448 F HA -0.263 4.269 4.527 0.009 0.000 0.297 448 F C 1.850 177.669 175.800 0.032 0.000 1.121 448 F CA 1.781 59.775 58.000 -0.011 0.000 1.199 448 F CB -0.562 38.387 39.000 -0.085 0.000 0.968 448 F HN -0.178 nan 8.300 nan 0.000 0.478 449 V N 1.164 121.193 119.914 0.191 0.000 2.380 449 V HA -0.330 3.795 4.120 0.009 0.000 0.251 449 V C 2.567 178.679 176.094 0.032 0.000 1.063 449 V CA 2.312 64.727 62.300 0.192 0.000 1.055 449 V CB -0.802 31.309 31.823 0.480 0.000 0.657 449 V HN 0.338 nan 8.190 nan 0.000 0.455 450 R N -0.302 120.219 120.500 0.035 0.000 2.062 450 R HA -0.113 4.232 4.340 0.009 0.000 0.231 450 R C 2.390 178.665 176.300 -0.041 0.000 1.136 450 R CA 1.387 57.490 56.100 0.005 0.000 0.948 450 R CB -0.354 29.968 30.300 0.037 0.000 0.845 450 R HN 0.509 nan 8.270 nan 0.000 0.430 451 E N 0.440 120.605 120.200 -0.059 0.000 2.160 451 E HA -0.145 4.210 4.350 0.009 0.000 0.195 451 E C 2.109 178.635 176.600 -0.122 0.000 0.991 451 E CA 0.997 57.361 56.400 -0.060 0.000 0.810 451 E CB -0.144 29.532 29.700 -0.039 0.000 0.742 451 E HN 0.156 nan 8.360 nan 0.000 0.466 452 V N 1.241 120.997 119.914 -0.263 0.000 2.323 452 V HA -0.168 3.957 4.120 0.009 0.000 0.244 452 V C 2.454 178.521 176.094 -0.045 0.000 1.041 452 V CA 1.064 63.232 62.300 -0.221 0.000 1.025 452 V CB -0.397 31.167 31.823 -0.431 0.000 0.656 452 V HN 0.185 nan 8.190 nan 0.000 0.451 453 L N 0.005 121.185 121.223 -0.072 0.000 2.362 453 L HA -0.158 4.187 4.340 0.009 0.000 0.219 453 L C 2.443 179.257 176.870 -0.094 0.000 1.134 453 L CA 1.323 56.093 54.840 -0.116 0.000 0.807 453 L CB -0.318 41.624 42.059 -0.195 0.000 0.927 453 L HN 0.465 nan 8.230 nan 0.000 0.447 454 E N -0.140 120.030 120.200 -0.050 0.000 2.112 454 E HA -0.159 4.196 4.350 0.009 0.000 0.190 454 E C 2.058 178.665 176.600 0.012 0.000 0.979 454 E CA 0.541 56.932 56.400 -0.016 0.000 0.814 454 E CB 0.344 30.045 29.700 0.002 0.000 0.762 454 E HN 0.206 nan 8.360 nan 0.000 0.460 455 K N 0.326 120.740 120.400 0.024 0.000 2.031 455 K HA -0.075 4.250 4.320 0.009 0.000 0.205 455 K C 2.229 178.878 176.600 0.080 0.000 1.049 455 K CA 0.952 57.280 56.287 0.067 0.000 0.939 455 K CB -0.714 31.839 32.500 0.087 0.000 0.717 455 K HN 0.278 nan 8.250 nan 0.000 0.438 456 C N 1.369 120.704 119.300 0.059 0.000 2.413 456 C HA -0.101 4.364 4.460 0.009 0.000 0.277 456 C C 2.791 177.678 174.990 -0.171 0.000 1.265 456 C CA 0.665 59.682 59.018 -0.000 0.000 1.752 456 C CB -0.719 26.933 27.740 -0.148 0.000 1.998 456 C HN 0.499 nan 8.230 nan 0.000 0.489 457 M N 0.574 120.091 119.600 -0.138 0.000 2.067 457 M HA -0.174 4.311 4.480 0.009 0.000 0.260 457 M C 2.528 178.832 176.300 0.008 0.000 1.069 457 M CA 1.751 56.983 55.300 -0.114 0.000 1.117 457 M CB -0.421 32.147 32.600 -0.055 0.000 1.334 457 M HN 0.333 nan 8.290 nan 0.000 0.407 458 R N 0.182 120.717 120.500 0.059 0.000 2.117 458 R HA -0.144 4.201 4.340 0.009 0.000 0.243 458 R C 2.154 178.512 176.300 0.097 0.000 1.143 458 R CA 1.523 57.683 56.100 0.099 0.000 0.968 458 R CB -0.601 29.758 30.300 0.098 0.000 0.863 458 R HN 0.421 nan 8.270 nan 0.000 0.444 459 L N 0.152 121.449 121.223 0.122 0.000 2.109 459 L HA -0.121 4.224 4.340 0.009 0.000 0.207 459 L C 2.041 179.030 176.870 0.198 0.000 1.086 459 L CA 1.204 56.149 54.840 0.174 0.000 0.760 459 L CB -0.170 42.052 42.059 0.272 0.000 0.910 459 L HN 0.329 nan 8.230 nan 0.000 0.437 460 S N -1.430 114.363 115.700 0.155 0.000 3.200 460 S HA 0.281 4.757 4.470 0.009 0.000 0.173 460 S C -0.207 174.510 174.600 0.195 0.000 0.768 460 S CA -0.148 58.132 58.200 0.134 0.000 1.018 460 S CB 0.313 63.451 63.200 -0.103 0.000 0.769 460 S HN 0.231 nan 8.310 nan 0.000 0.736 461 Y N -2.593 117.684 120.300 -0.037 0.000 2.871 461 Y HA 0.532 5.087 4.550 0.009 0.000 0.331 461 Y C 1.197 177.077 175.900 -0.033 0.000 1.378 461 Y CA -0.790 57.301 58.100 -0.015 0.000 1.079 461 Y CB -0.249 38.215 38.460 0.006 0.000 1.441 461 Y HN 0.482 nan 8.280 nan 0.000 0.446 462 H N 0.389 119.541 119.070 0.137 0.000 2.253 462 H HA -0.143 4.418 4.556 0.009 0.000 0.299 462 H C 1.696 177.005 175.328 -0.032 0.000 1.064 462 H CA 3.060 59.119 56.048 0.018 0.000 1.264 462 H CB -0.004 29.784 29.762 0.044 0.000 1.371 462 H HN 0.816 nan 8.280 nan 0.000 0.493 463 Q N 0.753 120.710 119.800 0.262 0.000 2.197 463 Q HA -0.145 4.200 4.340 0.009 0.000 0.207 463 Q C 2.453 178.387 176.000 -0.110 0.000 0.984 463 Q CA 1.248 57.136 55.803 0.141 0.000 0.869 463 Q CB -0.285 28.640 28.738 0.312 0.000 0.906 463 Q HN 0.177 nan 8.270 nan 0.000 0.426 464 R N -0.152 120.068 120.500 -0.468 0.000 2.091 464 R HA -0.100 4.245 4.340 0.009 0.000 0.238 464 R C 1.887 177.906 176.300 -0.468 0.000 1.136 464 R CA 1.320 57.007 56.100 -0.690 0.000 0.959 464 R CB -0.646 28.784 30.300 -1.449 0.000 0.856 464 R HN 0.376 nan 8.270 nan 0.000 0.437 465 I N 0.727 120.993 120.570 -0.507 0.000 2.353 465 I HA -0.196 3.980 4.170 0.009 0.000 0.248 465 I C 2.169 178.079 176.117 -0.346 0.000 1.119 465 I CA 0.615 61.646 61.300 -0.448 0.000 1.417 465 I CB -0.448 37.274 38.000 -0.463 0.000 1.078 465 I HN 0.090 nan 8.210 nan 0.000 0.421 466 L N 0.237 121.258 121.223 -0.337 0.000 2.129 466 L HA -0.264 4.081 4.340 0.009 0.000 0.212 466 L C 1.945 178.728 176.870 -0.144 0.000 1.087 466 L CA 1.821 56.519 54.840 -0.236 0.000 0.757 466 L CB -1.227 40.718 42.059 -0.190 0.000 0.896 466 L HN 0.307 nan 8.230 nan 0.000 0.434 467 D N -0.246 120.077 120.400 -0.128 0.000 2.110 467 D HA -0.127 4.518 4.640 0.009 0.000 0.202 467 D C 2.153 178.422 176.300 -0.053 0.000 0.975 467 D CA 1.294 55.255 54.000 -0.065 0.000 0.839 467 D CB -0.191 40.584 40.800 -0.041 0.000 0.996 467 D HN 0.477 nan 8.370 nan 0.000 0.464 468 I N 0.049 120.580 120.570 -0.066 0.000 2.361 468 I HA -0.104 4.071 4.170 0.009 0.000 0.251 468 I C 0.833 176.946 176.117 -0.006 0.000 1.133 468 I CA 0.460 61.772 61.300 0.020 0.000 1.413 468 I CB -0.520 37.542 38.000 0.104 0.000 1.073 468 I HN -0.195 nan 8.210 nan 0.000 0.424 469 V N -0.575 119.217 119.914 -0.203 0.000 2.583 469 V HA 0.485 4.610 4.120 0.009 0.000 0.287 469 V C -2.383 173.646 176.094 -0.108 0.000 1.051 469 V CA -2.167 59.925 62.300 -0.347 0.000 1.010 469 V CB -0.110 31.397 31.823 -0.526 0.000 0.988 469 V HN 0.009 nan 8.190 nan 0.000 0.478 470 P HA 0.175 nan 4.420 nan 0.000 0.266 470 P C -2.187 175.186 177.300 0.120 0.000 1.193 470 P CA -1.020 62.129 63.100 0.083 0.000 0.770 470 P CB -0.180 31.627 31.700 0.177 0.000 0.836 471 P HA -0.170 nan 4.420 nan 0.000 0.223 471 P C 1.196 178.548 177.300 0.087 0.000 1.144 471 P CA 1.580 64.721 63.100 0.068 0.000 0.783 471 P CB -0.434 31.298 31.700 0.053 0.000 0.771 472 T N -5.279 109.359 114.554 0.140 0.000 2.978 472 T HA -0.006 4.349 4.350 0.009 0.000 0.262 472 T C 1.409 176.146 174.700 0.061 0.000 1.063 472 T CA 0.561 62.721 62.100 0.100 0.000 1.140 472 T CB -1.061 67.876 68.868 0.114 0.000 0.886 472 T HN -0.063 nan 8.240 nan 0.000 0.470 473 F N 2.118 122.067 119.950 -0.002 0.000 2.780 473 F HA 0.308 4.841 4.527 0.009 0.000 0.299 473 F C 2.407 178.165 175.800 -0.071 0.000 1.146 473 F CA -0.123 57.859 58.000 -0.030 0.000 1.428 473 F CB -0.263 38.689 39.000 -0.079 0.000 1.115 473 F HN 0.113 nan 8.300 nan 0.000 0.583 474 S N -0.124 115.626 115.700 0.084 0.000 2.595 474 S HA -0.070 4.406 4.470 0.009 0.000 0.235 474 S C 2.105 176.710 174.600 0.008 0.000 0.974 474 S CA 0.748 58.958 58.200 0.016 0.000 0.942 474 S CB -0.340 62.867 63.200 0.013 0.000 0.766 474 S HN 0.351 nan 8.310 nan 0.000 0.536 475 A N 0.299 123.121 122.820 0.002 0.000 2.251 475 A HA 0.374 4.699 4.320 0.009 0.000 0.209 475 A C 1.472 179.052 177.584 -0.006 0.000 1.187 475 A CA 0.275 52.308 52.037 -0.006 0.000 0.823 475 A CB -0.104 18.882 19.000 -0.022 0.000 0.846 475 A HN 0.493 nan 8.150 nan 0.000 0.486 476 L N -1.243 119.978 121.223 -0.004 0.000 2.817 476 L HA 0.156 4.502 4.340 0.009 0.000 0.248 476 L C 0.047 176.912 176.870 -0.008 0.000 1.133 476 L CA -0.455 54.389 54.840 0.007 0.000 0.935 476 L CB 0.093 42.170 42.059 0.030 0.000 1.266 476 L HN 0.175 nan 8.230 nan 0.000 0.535 477 C N 2.129 121.410 119.300 -0.031 0.000 2.642 477 C HA 0.168 4.633 4.460 0.009 0.000 0.420 477 C C -1.582 173.395 174.990 -0.022 0.000 1.349 477 C CA -0.959 58.011 59.018 -0.080 0.000 1.821 477 C CB -0.389 27.268 27.740 -0.139 0.000 2.637 477 C HN 0.102 nan 8.230 nan 0.000 0.605 478 P HA 0.211 nan 4.420 nan 0.000 0.264 478 P C -0.226 177.177 177.300 0.172 0.000 1.193 478 P CA 0.448 63.579 63.100 0.052 0.000 0.763 478 P CB 0.353 32.079 31.700 0.044 0.000 0.810 479 A N 3.444 126.339 122.820 0.125 0.000 2.448 479 A HA 0.060 4.386 4.320 0.009 0.000 0.239 479 A C 0.745 178.344 177.584 0.026 0.000 1.080 479 A CA -0.230 51.873 52.037 0.111 0.000 0.779 479 A CB -0.235 18.788 19.000 0.037 0.000 1.026 479 A HN 0.565 nan 8.150 nan 0.000 0.499 480 N N 1.194 119.771 118.700 -0.205 0.000 2.394 480 N HA 0.062 4.807 4.740 0.009 0.000 0.277 480 N C -2.373 173.021 175.510 -0.193 0.000 1.346 480 N CA -1.025 51.733 53.050 -0.487 0.000 0.910 480 N CB 0.199 38.447 38.487 -0.398 0.000 1.201 480 N HN 0.173 nan 8.380 nan 0.000 0.488 481 P HA 0.059 nan 4.420 nan 0.000 0.238 481 P C -0.740 176.584 177.300 0.039 0.000 1.729 481 P CA -0.001 63.077 63.100 -0.036 0.000 1.055 481 P CB -0.483 31.107 31.700 -0.184 0.000 1.980 482 T N -1.474 113.110 114.554 0.051 0.000 2.885 482 T HA 0.491 4.847 4.350 0.009 0.000 0.285 482 T C 0.679 175.345 174.700 -0.058 0.000 1.019 482 T CA -0.858 61.275 62.100 0.055 0.000 1.010 482 T CB 0.619 69.465 68.868 -0.037 0.000 1.022 482 T HN 0.335 nan 8.240 nan 0.000 0.466 483 C N 1.329 120.414 119.300 -0.358 0.000 2.776 483 C HA 0.703 5.168 4.460 0.009 0.000 0.300 483 C C 0.425 175.207 174.990 -0.348 0.000 1.462 483 C CA -0.985 57.582 59.018 -0.751 0.000 2.246 483 C CB -1.224 25.732 27.740 -1.306 0.000 2.203 483 C HN 0.872 nan 8.230 nan 0.000 0.701 484 I N 0.177 120.550 120.570 -0.327 0.000 2.583 484 I HA 0.199 4.374 4.170 0.009 0.000 0.276 484 I C -0.938 175.120 176.117 -0.098 0.000 1.089 484 I CA -0.070 61.132 61.300 -0.163 0.000 1.103 484 I CB 0.375 38.286 38.000 -0.149 0.000 1.209 484 I HN 0.757 nan 8.210 nan 0.000 0.484 485 Y N 6.457 126.637 120.300 -0.199 0.000 2.585 485 Y HA 0.074 4.630 4.550 0.009 0.000 0.354 485 Y C 1.608 177.351 175.900 -0.261 0.000 1.024 485 Y CA 0.034 57.990 58.100 -0.240 0.000 1.321 485 Y CB 0.725 38.979 38.460 -0.343 0.000 1.151 485 Y HN 0.575 nan 8.280 nan 0.000 0.525 486 K N 3.721 123.791 120.400 -0.550 0.000 2.074 486 K HA -0.237 4.088 4.320 0.009 0.000 0.209 486 K C -0.100 176.028 176.600 -0.788 0.000 1.048 486 K CA 1.800 57.674 56.287 -0.689 0.000 0.926 486 K CB -0.150 31.811 32.500 -0.897 0.000 0.713 486 K HN 0.764 nan 8.250 nan 0.000 0.444 487 Y N 0.719 120.561 120.300 -0.763 0.000 2.801 487 Y HA 0.259 4.814 4.550 0.009 0.000 0.340 487 Y C 1.133 176.719 175.900 -0.524 0.000 1.088 487 Y CA -0.699 57.031 58.100 -0.616 0.000 1.444 487 Y CB 0.052 38.085 38.460 -0.713 0.000 1.251 487 Y HN 0.101 nan 8.280 nan 0.000 0.522 488 G N 0.034 108.691 108.800 -0.239 0.000 2.441 488 G HA2 -0.098 3.867 3.960 0.009 0.000 0.258 488 G HA3 -0.098 3.867 3.960 0.009 0.000 0.258 488 G C 0.586 175.524 174.900 0.063 0.000 1.487 488 G CA -0.120 45.001 45.100 0.035 0.000 1.058 488 G HN 0.235 nan 8.290 nan 0.000 0.552 489 D N -0.273 120.168 120.400 0.069 0.000 2.371 489 D HA -0.012 4.633 4.640 0.009 0.000 0.221 489 D C 1.078 177.407 176.300 0.048 0.000 0.986 489 D CA 0.336 54.373 54.000 0.063 0.000 0.899 489 D CB 0.001 40.831 40.800 0.052 0.000 0.902 489 D HN 0.528 nan 8.370 nan 0.000 0.530 490 E N 0.504 120.724 120.200 0.033 0.000 2.414 490 E HA 0.004 4.360 4.350 0.009 0.000 0.263 490 E C -0.076 176.541 176.600 0.029 0.000 1.000 490 E CA 0.039 56.449 56.400 0.016 0.000 0.914 490 E CB 0.491 30.185 29.700 -0.009 0.000 0.948 490 E HN -0.210 nan 8.360 nan 0.000 0.444 491 S N 3.129 118.829 115.700 0.001 0.000 3.033 491 S HA -0.034 4.442 4.470 0.009 0.000 0.258 491 S C 0.533 175.097 174.600 -0.060 0.000 1.207 491 S CA 0.030 58.215 58.200 -0.026 0.000 1.248 491 S CB -0.119 63.064 63.200 -0.028 0.000 0.932 491 S HN 0.379 nan 8.310 nan 0.000 0.472 492 S N 2.452 118.127 115.700 -0.041 0.000 3.122 492 S HA 0.113 4.588 4.470 0.009 0.000 0.249 492 S C 1.423 175.924 174.600 -0.165 0.000 1.334 492 S CA -0.564 57.604 58.200 -0.054 0.000 1.251 492 S CB -0.532 62.666 63.200 -0.003 0.000 1.034 492 S HN 0.498 nan 8.310 nan 0.000 0.478 493 N N 1.671 120.178 118.700 -0.323 0.000 2.192 493 N HA -0.116 4.629 4.740 0.009 0.000 0.188 493 N C 1.526 176.819 175.510 -0.361 0.000 1.013 493 N CA 1.546 54.221 53.050 -0.625 0.000 0.863 493 N CB -0.427 37.836 38.487 -0.375 0.000 0.990 493 N HN 0.666 nan 8.380 nan 0.000 0.430 494 S N 0.312 115.912 115.700 -0.166 0.000 2.786 494 S HA 0.133 4.608 4.470 0.009 0.000 0.223 494 S C 0.801 175.389 174.600 -0.021 0.000 0.956 494 S CA -0.192 57.960 58.200 -0.079 0.000 0.961 494 S CB -0.519 62.648 63.200 -0.056 0.000 0.784 494 S HN 0.163 nan 8.310 nan 0.000 0.519 495 L N 1.999 123.235 121.223 0.020 0.000 2.426 495 L HA 0.322 4.667 4.340 0.009 0.000 0.271 495 L C -2.266 174.682 176.870 0.129 0.000 1.169 495 L CA -2.296 52.619 54.840 0.125 0.000 0.836 495 L CB 0.269 42.501 42.059 0.289 0.000 1.112 495 L HN 0.018 nan 8.230 nan 0.000 0.465 496 P HA 0.043 nan 4.420 nan 0.000 0.263 496 P C 0.376 177.699 177.300 0.038 0.000 1.195 496 P CA 0.359 63.496 63.100 0.062 0.000 0.762 496 P CB 0.573 32.305 31.700 0.054 0.000 0.799 497 G N 2.275 111.063 108.800 -0.021 0.000 2.295 497 G HA2 -0.327 3.638 3.960 0.009 0.000 0.287 497 G HA3 -0.327 3.638 3.960 0.009 0.000 0.287 497 G C 0.798 175.560 174.900 -0.230 0.000 1.055 497 G CA 0.683 45.718 45.100 -0.109 0.000 0.922 497 G HN 0.717 nan 8.290 nan 0.000 0.503 498 H N 0.582 119.528 119.070 -0.206 0.000 2.363 498 H HA -0.017 4.544 4.556 0.009 0.000 0.301 498 H C 2.775 177.974 175.328 -0.216 0.000 1.074 498 H CA 2.597 58.500 56.048 -0.242 0.000 1.354 498 H CB 0.111 29.826 29.762 -0.078 0.000 1.397 498 H HN 0.587 nan 8.280 nan 0.000 0.516 499 S N -0.503 115.192 115.700 -0.009 0.000 2.368 499 S HA -0.149 4.326 4.470 0.009 0.000 0.225 499 S C 2.282 176.809 174.600 -0.121 0.000 1.030 499 S CA 1.241 59.422 58.200 -0.032 0.000 0.999 499 S CB -0.898 62.300 63.200 -0.004 0.000 0.844 499 S HN 0.222 nan 8.310 nan 0.000 0.459 500 V N 2.819 122.644 119.914 -0.148 0.000 2.343 500 V HA -0.148 3.978 4.120 0.009 0.000 0.247 500 V C 3.129 179.102 176.094 -0.201 0.000 1.051 500 V CA 1.700 63.907 62.300 -0.156 0.000 1.036 500 V CB -1.514 30.221 31.823 -0.146 0.000 0.654 500 V HN 0.669 nan 8.190 nan 0.000 0.451 501 A N -0.559 122.057 122.820 -0.339 0.000 1.978 501 A HA -0.177 4.148 4.320 0.009 0.000 0.220 501 A C 2.225 179.683 177.584 -0.210 0.000 1.170 501 A CA 1.664 53.479 52.037 -0.371 0.000 0.636 501 A CB -0.469 18.015 19.000 -0.860 0.000 0.810 501 A HN 0.422 nan 8.150 nan 0.000 0.448 502 L N -0.360 120.727 121.223 -0.227 0.000 2.156 502 L HA -0.117 4.228 4.340 0.009 0.000 0.208 502 L C 2.324 179.153 176.870 -0.068 0.000 1.095 502 L CA 1.726 56.494 54.840 -0.120 0.000 0.770 502 L CB -1.145 40.849 42.059 -0.110 0.000 0.914 502 L HN 0.553 nan 8.230 nan 0.000 0.439 503 C N -0.044 119.202 119.300 -0.089 0.000 2.436 503 C HA -0.181 4.284 4.460 0.009 0.000 0.277 503 C C 2.803 177.732 174.990 -0.102 0.000 1.241 503 C CA 0.382 59.349 59.018 -0.084 0.000 1.721 503 C CB -1.051 26.633 27.740 -0.093 0.000 2.043 503 C HN 0.466 nan 8.230 nan 0.000 0.472 504 L N 1.426 122.583 121.223 -0.110 0.000 2.127 504 L HA -0.183 4.163 4.340 0.009 0.000 0.211 504 L C 2.889 179.737 176.870 -0.037 0.000 1.089 504 L CA 1.447 56.192 54.840 -0.157 0.000 0.757 504 L CB -0.846 41.205 42.059 -0.014 0.000 0.899 504 L HN 0.375 nan 8.230 nan 0.000 0.434 505 A N 0.006 122.865 122.820 0.064 0.000 1.883 505 A HA -0.164 4.161 4.320 0.009 0.000 0.217 505 A C 2.246 179.886 177.584 0.093 0.000 1.186 505 A CA 2.148 54.265 52.037 0.134 0.000 0.624 505 A CB -0.791 18.264 19.000 0.092 0.000 0.822 505 A HN 0.246 nan 8.150 nan 0.000 0.444 506 V N -0.582 119.344 119.914 0.019 0.000 2.719 506 V HA -0.054 4.071 4.120 0.009 0.000 0.252 506 V C 2.853 178.933 176.094 -0.023 0.000 1.065 506 V CA 1.297 63.603 62.300 0.010 0.000 1.086 506 V CB -1.229 30.590 31.823 -0.007 0.000 0.700 506 V HN 0.593 nan 8.190 nan 0.000 0.467 507 A N 0.383 123.130 122.820 -0.122 0.000 1.877 507 A HA -0.150 4.175 4.320 0.009 0.000 0.216 507 A C 2.045 179.517 177.584 -0.186 0.000 1.186 507 A CA 1.806 53.701 52.037 -0.237 0.000 0.620 507 A CB -0.713 18.002 19.000 -0.475 0.000 0.822 507 A HN 0.495 nan 8.150 nan 0.000 0.443 508 F N -0.194 119.778 119.950 0.038 0.000 2.259 508 F HA -0.016 4.516 4.527 0.009 0.000 0.298 508 F C 2.218 178.074 175.800 0.093 0.000 1.088 508 F CA 1.185 59.238 58.000 0.090 0.000 1.358 508 F CB -0.026 39.008 39.000 0.055 0.000 1.040 508 F HN 0.071 nan 8.300 nan 0.000 0.505 509 K N 0.003 120.533 120.400 0.218 0.000 2.442 509 K HA -0.060 4.266 4.320 0.009 0.000 0.198 509 K C 1.228 177.892 176.600 0.108 0.000 1.042 509 K CA 1.319 57.690 56.287 0.140 0.000 0.958 509 K CB -0.177 32.381 32.500 0.097 0.000 0.766 509 K HN 0.228 nan 8.250 nan 0.000 0.474 510 S N 0.134 115.894 115.700 0.099 0.000 2.754 510 S HA 0.165 4.641 4.470 0.009 0.000 0.247 510 S C -0.785 173.873 174.600 0.096 0.000 1.031 510 S CA -0.710 57.536 58.200 0.077 0.000 1.014 510 S CB 0.227 63.453 63.200 0.043 0.000 0.918 510 S HN -0.000 nan 8.310 nan 0.000 0.519 511 K N 1.041 121.534 120.400 0.155 0.000 5.829 511 K HA -0.114 4.211 4.320 0.009 0.000 0.459 511 K C -0.043 176.661 176.600 0.172 0.000 1.139 511 K CA 1.061 57.466 56.287 0.197 0.000 1.349 511 K CB -2.344 30.239 32.500 0.140 0.000 1.801 511 K HN 0.764 nan 8.250 nan 0.000 0.385 512 A N 2.159 125.110 122.820 0.218 0.000 2.303 512 A HA 0.683 5.008 4.320 0.009 0.000 0.317 512 A C 0.843 178.596 177.584 0.283 0.000 1.149 512 A CA 0.125 52.242 52.037 0.133 0.000 0.822 512 A CB 0.624 19.569 19.000 -0.092 0.000 1.131 512 A HN 0.652 nan 8.150 nan 0.000 0.493 513 T N -0.062 114.601 114.554 0.182 0.000 2.816 513 T HA 0.172 4.527 4.350 0.009 0.000 0.282 513 T C 0.973 175.839 174.700 0.276 0.000 0.993 513 T CA -0.430 61.794 62.100 0.206 0.000 0.994 513 T CB 0.449 69.390 68.868 0.123 0.000 1.025 513 T HN 0.521 nan 8.240 nan 0.000 0.529 514 N N 1.100 119.973 118.700 0.288 0.000 2.043 514 N HA -0.117 4.628 4.740 0.009 0.000 0.193 514 N C 1.339 177.033 175.510 0.306 0.000 1.037 514 N CA 1.535 54.783 53.050 0.329 0.000 0.851 514 N CB -0.694 37.982 38.487 0.314 0.000 1.027 514 N HN 0.663 nan 8.380 nan 0.000 0.422 515 D N 0.435 120.976 120.400 0.235 0.000 2.265 515 D HA -0.132 4.513 4.640 0.009 0.000 0.208 515 D C 1.746 178.137 176.300 0.152 0.000 0.977 515 D CA 0.632 54.748 54.000 0.194 0.000 0.871 515 D CB -0.059 40.798 40.800 0.095 0.000 0.925 515 D HN 0.544 nan 8.370 nan 0.000 0.485 516 E N 0.069 120.331 120.200 0.104 0.000 2.033 516 E HA -0.101 4.254 4.350 0.009 0.000 0.189 516 E C 1.952 178.531 176.600 -0.036 0.000 0.979 516 E CA 0.329 56.745 56.400 0.027 0.000 0.802 516 E CB 0.126 29.827 29.700 0.002 0.000 0.763 516 E HN -0.000 nan 8.360 nan 0.000 0.449 517 I N 1.009 121.515 120.570 -0.105 0.000 2.248 517 I HA -0.254 3.922 4.170 0.009 0.000 0.248 517 I C 2.133 178.092 176.117 -0.263 0.000 1.107 517 I CA 1.265 62.395 61.300 -0.284 0.000 1.373 517 I CB -1.167 36.568 38.000 -0.442 0.000 1.055 517 I HN 0.184 nan 8.210 nan 0.000 0.418 518 F N 1.574 121.432 119.950 -0.152 0.000 2.075 518 F HA -0.198 4.334 4.527 0.009 0.000 0.297 518 F C 2.861 178.594 175.800 -0.112 0.000 1.113 518 F CA 1.792 59.709 58.000 -0.137 0.000 1.218 518 F CB -0.864 38.081 39.000 -0.092 0.000 0.984 518 F HN -0.017 nan 8.300 nan 0.000 0.472 519 S N 0.342 116.110 115.700 0.115 0.000 2.387 519 S HA -0.198 4.277 4.470 0.009 0.000 0.230 519 S C 2.144 176.737 174.600 -0.013 0.000 1.035 519 S CA 1.457 59.679 58.200 0.037 0.000 1.014 519 S CB -0.579 62.631 63.200 0.016 0.000 0.836 519 S HN 0.298 nan 8.310 nan 0.000 0.466 520 I N 1.101 121.639 120.570 -0.054 0.000 2.315 520 I HA -0.106 4.069 4.170 0.009 0.000 0.248 520 I C 1.742 177.808 176.117 -0.085 0.000 1.117 520 I CA 0.980 62.229 61.300 -0.085 0.000 1.404 520 I CB -0.388 37.533 38.000 -0.132 0.000 1.071 520 I HN 0.226 nan 8.210 nan 0.000 0.419 521 L N 0.880 122.045 121.223 -0.096 0.000 2.549 521 L HA -0.124 4.221 4.340 0.009 0.000 0.229 521 L C 1.567 178.407 176.870 -0.051 0.000 1.158 521 L CA 0.893 55.676 54.840 -0.095 0.000 0.842 521 L CB -0.500 41.470 42.059 -0.148 0.000 0.952 521 L HN 0.225 nan 8.230 nan 0.000 0.452 522 K N 0.015 120.399 120.400 -0.028 0.000 2.630 522 K HA -0.018 4.308 4.320 0.009 0.000 0.204 522 K C -0.026 176.553 176.600 -0.035 0.000 1.024 522 K CA 0.199 56.474 56.287 -0.021 0.000 1.157 522 K CB 0.073 32.568 32.500 -0.008 0.000 0.899 522 K HN 0.216 nan 8.250 nan 0.000 0.501 523 D N 0.200 120.571 120.400 -0.049 0.000 2.503 523 D HA 0.044 4.689 4.640 0.009 0.000 0.218 523 D C -0.356 175.909 176.300 -0.059 0.000 1.183 523 D CA 0.032 54.002 54.000 -0.052 0.000 0.827 523 D CB 0.870 41.636 40.800 -0.057 0.000 1.034 523 D HN -0.147 nan 8.370 nan 0.000 0.510 524 V N 2.437 122.313 119.914 -0.064 0.000 2.427 524 V HA 0.323 4.448 4.120 0.009 0.000 0.286 524 V C -1.659 174.394 176.094 -0.069 0.000 1.034 524 V CA -1.440 60.818 62.300 -0.072 0.000 0.893 524 V CB 1.440 33.214 31.823 -0.083 0.000 0.982 524 V HN -0.089 nan 8.190 nan 0.000 0.452 540 N N 8.049 126.375 118.700 -0.623 0.000 2.524 540 N HA 0.499 5.244 4.740 0.009 0.000 0.261 540 N C -2.424 172.621 175.510 -0.775 0.000 0.998 540 N CA -2.472 50.192 53.050 -0.643 0.000 0.915 540 N CB 2.429 40.749 38.487 -0.279 0.000 1.187 540 N HN 0.240 nan 8.380 nan 0.000 0.507 541 P HA -0.114 nan 4.420 nan 0.000 0.214 541 P C 1.497 178.620 177.300 -0.296 0.000 1.163 541 P CA 0.521 63.183 63.100 -0.731 0.000 0.883 541 P CB 0.382 31.727 31.700 -0.592 0.000 0.788 542 L N 0.031 121.134 121.223 -0.199 0.000 2.191 542 L HA -0.095 4.250 4.340 0.009 0.000 0.212 542 L C 2.193 179.031 176.870 -0.054 0.000 1.103 542 L CA 1.833 56.633 54.840 -0.067 0.000 0.769 542 L CB -1.088 40.937 42.059 -0.057 0.000 0.908 542 L HN -0.167 nan 8.230 nan 0.000 0.438 543 K N -0.466 119.870 120.400 -0.107 0.000 2.147 543 K HA -0.156 4.170 4.320 0.009 0.000 0.205 543 K C 1.967 178.559 176.600 -0.013 0.000 1.049 543 K CA 1.683 57.924 56.287 -0.077 0.000 0.936 543 K CB -0.117 32.319 32.500 -0.107 0.000 0.722 543 K HN 0.444 nan 8.250 nan 0.000 0.446 544 I N 0.236 120.808 120.570 0.004 0.000 2.480 544 I HA -0.131 4.044 4.170 0.009 0.000 0.251 544 I C 2.192 178.386 176.117 0.128 0.000 1.124 544 I CA 0.700 62.060 61.300 0.099 0.000 1.444 544 I CB -0.162 37.923 38.000 0.142 0.000 1.098 544 I HN 0.244 nan 8.210 nan 0.000 0.428 545 E N 0.996 121.273 120.200 0.128 0.000 2.463 545 E HA -0.153 4.202 4.350 0.009 0.000 0.201 545 E C 1.858 178.571 176.600 0.189 0.000 1.045 545 E CA 1.024 57.519 56.400 0.160 0.000 0.872 545 E CB 0.276 30.077 29.700 0.169 0.000 0.797 545 E HN 0.521 nan 8.360 nan 0.000 0.538 546 V N -2.235 117.763 119.914 0.139 0.000 2.806 546 V HA 0.028 4.153 4.120 0.009 0.000 0.239 546 V C 1.959 178.129 176.094 0.126 0.000 1.113 546 V CA 0.392 62.762 62.300 0.116 0.000 1.137 546 V CB -0.832 30.959 31.823 -0.053 0.000 0.865 546 V HN 0.204 nan 8.190 nan 0.000 0.482 547 F N 2.281 122.206 119.950 -0.041 0.000 2.051 547 F HA -0.087 4.445 4.527 0.009 0.000 0.296 547 F C 2.131 177.874 175.800 -0.094 0.000 1.122 547 F CA 2.439 60.390 58.000 -0.083 0.000 1.201 547 F CB -0.768 38.101 39.000 -0.219 0.000 0.978 547 F HN -0.015 nan 8.300 nan 0.000 0.472 548 V N 0.982 120.598 119.914 -0.497 0.000 2.255 548 V HA -0.330 3.795 4.120 0.009 0.000 0.247 548 V C 2.615 178.583 176.094 -0.210 0.000 1.051 548 V CA 2.257 64.275 62.300 -0.469 0.000 1.018 548 V CB -0.913 30.836 31.823 -0.123 0.000 0.641 548 V HN 0.424 nan 8.190 nan 0.000 0.445 549 Q N -0.228 119.553 119.800 -0.030 0.000 2.077 549 Q HA -0.217 4.129 4.340 0.009 0.000 0.206 549 Q C 2.371 178.514 176.000 0.238 0.000 0.989 549 Q CA 2.563 58.424 55.803 0.097 0.000 0.853 549 Q CB -0.683 28.141 28.738 0.144 0.000 0.907 549 Q HN 0.702 nan 8.270 nan 0.000 0.418 550 T N 1.773 116.450 114.554 0.205 0.000 2.701 550 T HA -0.135 4.220 4.350 0.009 0.000 0.263 550 T C 1.910 176.518 174.700 -0.152 0.000 1.040 550 T CA 1.063 63.289 62.100 0.211 0.000 1.147 550 T CB -0.463 68.559 68.868 0.258 0.000 0.865 550 T HN 0.134 nan 8.240 nan 0.000 0.426 551 L N 1.492 122.449 121.223 -0.444 0.000 1.956 551 L HA -0.090 4.255 4.340 0.009 0.000 0.216 551 L C 2.276 178.949 176.870 -0.328 0.000 1.073 551 L CA 1.762 56.194 54.840 -0.680 0.000 0.762 551 L CB -1.021 40.548 42.059 -0.816 0.000 0.889 551 L HN 0.259 nan 8.230 nan 0.000 0.433 552 L N -1.071 120.033 121.223 -0.199 0.000 2.051 552 L HA -0.322 4.023 4.340 0.009 0.000 0.214 552 L C 2.623 179.436 176.870 -0.094 0.000 1.076 552 L CA 1.817 56.620 54.840 -0.060 0.000 0.758 552 L CB -1.053 41.003 42.059 -0.004 0.000 0.890 552 L HN 0.573 nan 8.230 nan 0.000 0.433 553 H N 0.382 119.279 119.070 -0.289 0.000 2.270 553 H HA -0.172 4.389 4.556 0.009 0.000 0.299 553 H C 2.222 177.353 175.328 -0.328 0.000 1.077 553 H CA 1.864 57.662 56.048 -0.417 0.000 1.294 553 H CB -0.167 29.078 29.762 -0.862 0.000 1.371 553 H HN 0.129 nan 8.280 nan 0.000 0.491 554 L N -0.093 120.937 121.223 -0.322 0.000 2.079 554 L HA -0.086 4.259 4.340 0.009 0.000 0.210 554 L C 1.755 178.489 176.870 -0.227 0.000 1.081 554 L CA 1.073 55.751 54.840 -0.270 0.000 0.752 554 L CB -0.330 41.662 42.059 -0.112 0.000 0.896 554 L HN 0.427 nan 8.230 nan 0.000 0.433 555 A N -0.643 122.083 122.820 -0.157 0.000 3.282 555 A HA 0.612 4.937 4.320 0.009 0.000 0.287 555 A C 1.070 178.647 177.584 -0.013 0.000 1.366 555 A CA 0.325 52.327 52.037 -0.058 0.000 1.069 555 A CB -0.241 18.777 19.000 0.030 0.000 1.109 555 A HN 0.240 nan 8.150 nan 0.000 0.638 556 A N -0.317 122.459 122.820 -0.073 0.000 2.470 556 A HA 0.254 4.580 4.320 0.009 0.000 0.251 556 A C 1.668 179.295 177.584 0.071 0.000 1.245 556 A CA 0.445 52.557 52.037 0.125 0.000 0.932 556 A CB -0.118 18.907 19.000 0.042 0.000 1.037 556 A HN 0.539 nan 8.150 nan 0.000 0.522 557 K N 0.710 121.049 120.400 -0.101 0.000 2.002 557 K HA -0.074 4.252 4.320 0.009 0.000 0.209 557 K C 0.972 177.606 176.600 0.055 0.000 1.048 557 K CA 1.738 57.950 56.287 -0.124 0.000 0.930 557 K CB -0.064 32.183 32.500 -0.420 0.000 0.714 557 K HN 0.597 nan 8.250 nan 0.000 0.438 558 S N -2.569 113.255 115.700 0.207 0.000 2.819 558 S HA 0.277 4.752 4.470 0.009 0.000 0.299 558 S C 0.549 175.380 174.600 0.385 0.000 1.192 558 S CA -0.919 57.479 58.200 0.330 0.000 0.847 558 S CB 0.134 63.541 63.200 0.345 0.000 1.224 558 S HN 0.032 nan 8.310 nan 0.000 0.537 559 F N 2.377 122.413 119.950 0.145 0.000 2.113 559 F HA -0.018 4.515 4.527 0.009 0.000 0.297 559 F C 3.219 179.223 175.800 0.340 0.000 1.103 559 F CA 1.764 59.877 58.000 0.189 0.000 1.248 559 F CB -1.045 38.143 39.000 0.313 0.000 0.999 559 F HN 0.778 nan 8.300 nan 0.000 0.475 560 S N -0.420 115.545 115.700 0.442 0.000 2.359 560 S HA -0.320 4.155 4.470 0.009 0.000 0.223 560 S C 1.810 176.494 174.600 0.141 0.000 1.039 560 S CA 1.985 60.328 58.200 0.238 0.000 1.042 560 S CB -1.342 61.846 63.200 -0.019 0.000 0.915 560 S HN 0.518 nan 8.310 nan 0.000 0.439 561 H N 1.730 120.886 119.070 0.143 0.000 2.352 561 H HA 0.029 4.591 4.556 0.009 0.000 0.299 561 H C 2.616 177.970 175.328 0.043 0.000 1.097 561 H CA 1.726 57.823 56.048 0.081 0.000 1.311 561 H CB -0.512 29.281 29.762 0.052 0.000 1.377 561 H HN 0.428 nan 8.280 nan 0.000 0.504 562 S N -0.048 115.712 115.700 0.100 0.000 2.368 562 S HA -0.117 4.358 4.470 0.009 0.000 0.224 562 S C 1.750 176.250 174.600 -0.166 0.000 1.029 562 S CA 1.074 59.208 58.200 -0.111 0.000 0.988 562 S CB -0.323 62.660 63.200 -0.361 0.000 0.838 562 S HN 0.289 nan 8.310 nan 0.000 0.462 563 F N 2.104 122.037 119.950 -0.029 0.000 2.293 563 F HA -0.042 4.490 4.527 0.009 0.000 0.300 563 F C 2.614 178.405 175.800 -0.015 0.000 1.086 563 F CA 0.698 58.678 58.000 -0.033 0.000 1.375 563 F CB -0.386 38.605 39.000 -0.016 0.000 1.045 563 F HN 0.104 nan 8.300 nan 0.000 0.516 564 S N -0.107 115.688 115.700 0.159 0.000 2.406 564 S HA -0.080 4.395 4.470 0.009 0.000 0.228 564 S C 2.299 176.945 174.600 0.077 0.000 1.020 564 S CA 0.768 59.022 58.200 0.090 0.000 0.965 564 S CB -0.456 62.784 63.200 0.065 0.000 0.798 564 S HN 0.366 nan 8.310 nan 0.000 0.488 565 A N 2.022 124.902 122.820 0.100 0.000 1.841 565 A HA 0.075 4.400 4.320 0.009 0.000 0.214 565 A C 2.051 179.763 177.584 0.213 0.000 1.195 565 A CA 0.997 53.140 52.037 0.178 0.000 0.611 565 A CB -0.847 18.218 19.000 0.109 0.000 0.835 565 A HN 0.422 nan 8.150 nan 0.000 0.443 566 L N -0.739 120.500 121.223 0.028 0.000 2.187 566 L HA -0.209 4.136 4.340 0.009 0.000 0.213 566 L C 2.966 179.883 176.870 0.078 0.000 1.100 566 L CA 0.893 55.665 54.840 -0.115 0.000 0.765 566 L CB -0.671 41.231 42.059 -0.263 0.000 0.904 566 L HN 0.515 nan 8.230 nan 0.000 0.437 567 A N 0.281 123.161 122.820 0.101 0.000 1.823 567 A HA -0.202 4.123 4.320 0.009 0.000 0.214 567 A C 2.304 179.939 177.584 0.085 0.000 1.225 567 A CA 1.505 53.602 52.037 0.100 0.000 0.604 567 A CB -0.573 18.462 19.000 0.058 0.000 0.878 567 A HN 0.195 nan 8.150 nan 0.000 0.450 568 K N -0.930 119.444 120.400 -0.043 0.000 2.023 568 K HA -0.219 4.106 4.320 0.009 0.000 0.227 568 K C 0.413 176.878 176.600 -0.225 0.000 1.054 568 K CA 2.302 58.420 56.287 -0.280 0.000 0.977 568 K CB -0.446 31.662 32.500 -0.654 0.000 0.733 568 K HN 0.450 nan 8.250 nan 0.000 0.451 569 F N 0.317 120.464 119.950 0.328 0.000 2.980 569 F HA 0.103 4.635 4.527 0.009 0.000 0.299 569 F C 1.572 177.661 175.800 0.482 0.000 1.211 569 F CA -0.352 57.878 58.000 0.384 0.000 1.328 569 F CB -0.036 39.259 39.000 0.491 0.000 1.154 569 F HN 0.269 nan 8.300 nan 0.000 0.528 570 H N 1.040 120.330 119.070 0.367 0.000 2.353 570 H HA -0.117 4.444 4.556 0.009 0.000 0.300 570 H C 1.772 177.299 175.328 0.332 0.000 1.090 570 H CA 1.796 58.031 56.048 0.310 0.000 1.327 570 H CB 0.489 30.342 29.762 0.153 0.000 1.383 570 H HN 0.276 nan 8.280 nan 0.000 0.508 571 E N 0.400 120.840 120.200 0.400 0.000 2.077 571 E HA -0.108 4.247 4.350 0.009 0.000 0.193 571 E C 2.611 179.375 176.600 0.273 0.000 0.989 571 E CA 0.834 57.436 56.400 0.336 0.000 0.800 571 E CB -0.213 29.695 29.700 0.346 0.000 0.746 571 E HN 0.325 nan 8.360 nan 0.000 0.452 572 V N 0.837 120.833 119.914 0.136 0.000 2.287 572 V HA -0.265 3.860 4.120 0.009 0.000 0.248 572 V C 2.188 178.140 176.094 -0.238 0.000 1.053 572 V CA 1.841 63.915 62.300 -0.377 0.000 1.027 572 V CB -0.739 30.596 31.823 -0.813 0.000 0.646 572 V HN 0.115 nan 8.190 nan 0.000 0.447 573 F N 0.212 120.164 119.950 0.003 0.000 2.069 573 F HA -0.151 4.382 4.527 0.009 0.000 0.298 573 F C 2.549 178.346 175.800 -0.005 0.000 1.113 573 F CA 1.688 59.728 58.000 0.068 0.000 1.214 573 F CB -0.493 38.533 39.000 0.043 0.000 0.978 573 F HN -0.038 nan 8.300 nan 0.000 0.474 574 K N 0.082 120.562 120.400 0.133 0.000 2.089 574 K HA -0.166 4.159 4.320 0.009 0.000 0.210 574 K C 1.962 178.633 176.600 0.119 0.000 1.048 574 K CA 2.053 58.389 56.287 0.083 0.000 0.926 574 K CB -1.279 31.275 32.500 0.089 0.000 0.714 574 K HN 0.295 nan 8.250 nan 0.000 0.448 575 T N 2.027 116.675 114.554 0.157 0.000 2.777 575 T HA -0.033 4.322 4.350 0.009 0.000 0.266 575 T C 2.113 176.892 174.700 0.131 0.000 1.040 575 T CA 0.907 63.111 62.100 0.175 0.000 1.141 575 T CB -0.128 68.947 68.868 0.345 0.000 0.868 575 T HN 0.085 nan 8.240 nan 0.000 0.444 576 L N 0.824 122.102 121.223 0.091 0.000 2.007 576 L HA 0.114 4.460 4.340 0.009 0.000 0.205 576 L C 2.260 179.210 176.870 0.134 0.000 1.073 576 L CA 0.939 55.838 54.840 0.097 0.000 0.744 576 L CB -0.650 41.433 42.059 0.040 0.000 0.898 576 L HN 0.175 nan 8.230 nan 0.000 0.435 577 A N -0.218 122.682 122.820 0.132 0.000 3.033 577 A HA 0.013 4.339 4.320 0.009 0.000 0.250 577 A C 1.597 179.222 177.584 0.068 0.000 1.633 577 A CA 0.062 52.164 52.037 0.108 0.000 1.290 577 A CB -0.567 18.510 19.000 0.128 0.000 1.048 577 A HN 0.441 nan 8.150 nan 0.000 0.648 578 E N 0.507 120.744 120.200 0.062 0.000 2.057 578 E HA -0.026 4.329 4.350 0.009 0.000 0.190 578 E C 0.989 177.594 176.600 0.008 0.000 0.969 578 E CA 0.761 57.187 56.400 0.043 0.000 0.812 578 E CB 0.124 29.857 29.700 0.055 0.000 0.777 578 E HN 0.682 nan 8.360 nan 0.000 0.455 579 S N 0.804 116.492 115.700 -0.020 0.000 2.584 579 S HA 0.082 4.558 4.470 0.009 0.000 0.273 579 S C 0.419 174.965 174.600 -0.090 0.000 1.311 579 S CA -0.665 57.493 58.200 -0.070 0.000 1.034 579 S CB 1.326 64.450 63.200 -0.128 0.000 0.939 579 S HN 0.055 nan 8.310 nan 0.000 0.513 580 D N 1.758 122.109 120.400 -0.082 0.000 2.123 580 D HA -0.107 4.538 4.640 0.009 0.000 0.196 580 D C 1.687 177.929 176.300 -0.096 0.000 0.992 580 D CA 1.652 55.610 54.000 -0.069 0.000 0.833 580 D CB -0.293 40.474 40.800 -0.055 0.000 0.954 580 D HN 0.770 nan 8.370 nan 0.000 0.455 581 E N 0.059 120.155 120.200 -0.173 0.000 2.110 581 E HA -0.051 4.304 4.350 0.009 0.000 0.193 581 E C 2.208 178.635 176.600 -0.289 0.000 0.988 581 E CA 1.208 57.466 56.400 -0.236 0.000 0.804 581 E CB -0.664 28.817 29.700 -0.364 0.000 0.745 581 E HN 0.323 nan 8.360 nan 0.000 0.458 582 G N 1.055 109.620 108.800 -0.391 0.000 2.402 582 G HA2 -0.281 3.684 3.960 0.009 0.000 0.216 582 G HA3 -0.281 3.684 3.960 0.009 0.000 0.216 582 G C 1.358 176.287 174.900 0.048 0.000 1.162 582 G CA 0.723 45.721 45.100 -0.170 0.000 0.777 582 G HN 0.160 nan 8.290 nan 0.000 0.539 583 K N -0.467 119.934 120.400 0.002 0.000 2.074 583 K HA -0.070 4.256 4.320 0.009 0.000 0.209 583 K C 2.411 179.025 176.600 0.023 0.000 1.048 583 K CA 0.925 57.225 56.287 0.022 0.000 0.926 583 K CB -0.279 32.216 32.500 -0.008 0.000 0.713 583 K HN 0.171 nan 8.250 nan 0.000 0.444 584 L N 0.064 121.306 121.223 0.032 0.000 2.017 584 L HA -0.187 4.158 4.340 0.009 0.000 0.208 584 L C 2.241 179.165 176.870 0.091 0.000 1.073 584 L CA 1.813 56.687 54.840 0.056 0.000 0.745 584 L CB -0.695 41.416 42.059 0.086 0.000 0.894 584 L HN 0.226 nan 8.230 nan 0.000 0.432 585 H N -1.578 117.543 119.070 0.085 0.000 2.422 585 H HA -0.140 4.422 4.556 0.009 0.000 0.298 585 H C 2.069 177.468 175.328 0.117 0.000 1.098 585 H CA 1.566 57.701 56.048 0.145 0.000 1.315 585 H CB 0.142 30.055 29.762 0.252 0.000 1.382 585 H HN 0.098 nan 8.280 nan 0.000 0.523 586 V N 0.174 120.207 119.914 0.199 0.000 2.307 586 V HA -0.253 3.872 4.120 0.009 0.000 0.245 586 V C 2.437 178.544 176.094 0.022 0.000 1.045 586 V CA 1.747 64.134 62.300 0.145 0.000 1.024 586 V CB -0.567 31.356 31.823 0.166 0.000 0.651 586 V HN 0.383 nan 8.190 nan 0.000 0.449 587 L N -0.130 121.010 121.223 -0.138 0.000 2.017 587 L HA -0.186 4.159 4.340 0.009 0.000 0.208 587 L C 2.755 179.535 176.870 -0.150 0.000 1.073 587 L CA 2.116 56.692 54.840 -0.440 0.000 0.745 587 L CB -0.718 40.688 42.059 -1.088 0.000 0.894 587 L HN 0.270 nan 8.230 nan 0.000 0.432 588 R N 0.192 120.713 120.500 0.036 0.000 2.103 588 R HA -0.171 4.174 4.340 0.009 0.000 0.242 588 R C 2.103 178.518 176.300 0.191 0.000 1.142 588 R CA 1.891 58.123 56.100 0.220 0.000 0.960 588 R CB -0.319 29.989 30.300 0.013 0.000 0.858 588 R HN 0.153 nan 8.270 nan 0.000 0.439 589 V N 1.109 121.082 119.914 0.098 0.000 2.379 589 V HA -0.213 3.912 4.120 0.009 0.000 0.245 589 V C 2.456 178.627 176.094 0.129 0.000 1.044 589 V CA 1.774 64.138 62.300 0.106 0.000 1.036 589 V CB -0.450 31.437 31.823 0.107 0.000 0.664 589 V HN 0.479 nan 8.190 nan 0.000 0.453 590 M N -0.767 118.906 119.600 0.122 0.000 2.358 590 M HA -0.188 4.298 4.480 0.009 0.000 0.264 590 M C 1.968 178.402 176.300 0.223 0.000 1.064 590 M CA 1.988 57.364 55.300 0.126 0.000 1.093 590 M CB -0.559 32.074 32.600 0.054 0.000 1.401 590 M HN 0.437 nan 8.290 nan 0.000 0.440 591 F N 1.162 121.212 119.950 0.166 0.000 2.179 591 F HA -0.046 4.486 4.527 0.009 0.000 0.292 591 F C 1.917 177.824 175.800 0.177 0.000 1.089 591 F CA 1.276 59.443 58.000 0.277 0.000 1.295 591 F CB -0.201 39.080 39.000 0.469 0.000 1.041 591 F HN 0.175 nan 8.300 nan 0.000 0.487 592 E N -0.087 120.325 120.200 0.353 0.000 2.333 592 E HA -0.180 4.176 4.350 0.009 0.000 0.200 592 E C 2.078 178.653 176.600 -0.042 0.000 1.010 592 E CA 1.281 57.779 56.400 0.163 0.000 0.841 592 E CB -0.109 29.664 29.700 0.122 0.000 0.757 592 E HN 0.355 nan 8.360 nan 0.000 0.508 593 V N -1.298 118.559 119.914 -0.095 0.000 2.685 593 V HA -0.077 4.048 4.120 0.009 0.000 0.244 593 V C 0.893 176.707 176.094 -0.467 0.000 1.054 593 V CA 0.837 62.959 62.300 -0.297 0.000 1.076 593 V CB -0.106 31.507 31.823 -0.350 0.000 0.725 593 V HN 0.336 nan 8.190 nan 0.000 0.467 594 W N 1.272 122.480 121.300 -0.154 0.000 2.570 594 W HA 0.311 4.976 4.660 0.009 0.000 0.410 594 W C 1.706 178.018 176.519 -0.345 0.000 0.889 594 W CA -0.732 56.505 57.345 -0.181 0.000 2.386 594 W CB 0.377 29.752 29.460 -0.143 0.000 1.228 594 W HN 0.096 nan 8.180 nan 0.000 0.692 595 R N -0.725 119.597 120.500 -0.298 0.000 2.346 595 R HA 0.063 4.409 4.340 0.009 0.000 0.199 595 R C 0.302 176.478 176.300 -0.208 0.000 1.015 595 R CA 0.745 56.534 56.100 -0.517 0.000 1.058 595 R CB -0.162 29.836 30.300 -0.503 0.000 0.921 595 R HN 0.115 nan 8.270 nan 0.000 0.475 596 N N -0.147 118.530 118.700 -0.037 0.000 2.273 596 N HA -0.015 4.730 4.740 0.009 0.000 0.192 596 N C -0.636 174.951 175.510 0.128 0.000 1.132 596 N CA 0.281 53.349 53.050 0.030 0.000 0.887 596 N CB 0.478 38.993 38.487 0.047 0.000 1.048 596 N HN 0.375 nan 8.380 nan 0.000 0.490 597 H N 0.558 119.661 119.070 0.055 0.000 2.423 597 H HA 0.228 4.789 4.556 0.009 0.000 0.237 597 H C -2.026 173.232 175.328 -0.116 0.000 1.391 597 H CA -2.025 54.019 56.048 -0.007 0.000 1.453 597 H CB 1.367 31.133 29.762 0.006 0.000 1.484 597 H HN -0.080 nan 8.280 nan 0.000 0.505 598 P HA -0.246 nan 4.420 nan 0.000 0.216 598 P C 1.626 178.816 177.300 -0.184 0.000 1.150 598 P CA 1.186 64.082 63.100 -0.341 0.000 0.843 598 P CB 0.198 31.561 31.700 -0.562 0.000 0.787 599 Q N -0.965 118.636 119.800 -0.332 0.000 2.084 599 Q HA -0.210 4.136 4.340 0.009 0.000 0.202 599 Q C 2.059 177.855 176.000 -0.341 0.000 0.978 599 Q CA 1.652 57.313 55.803 -0.238 0.000 0.844 599 Q CB -0.499 28.156 28.738 -0.137 0.000 0.898 599 Q HN 0.063 nan 8.270 nan 0.000 0.426 600 M N 0.344 119.415 119.600 -0.882 0.000 2.213 600 M HA -0.100 4.386 4.480 0.009 0.000 0.263 600 M C 1.488 177.410 176.300 -0.630 0.000 1.062 600 M CA 1.447 56.158 55.300 -0.983 0.000 1.105 600 M CB -0.087 31.645 32.600 -1.447 0.000 1.385 600 M HN 0.319 nan 8.290 nan 0.000 0.417 601 I N -0.373 120.002 120.570 -0.325 0.000 2.286 601 I HA -0.174 4.001 4.170 0.009 0.000 0.245 601 I C 2.432 178.535 176.117 -0.022 0.000 1.104 601 I CA 0.937 62.199 61.300 -0.064 0.000 1.397 601 I CB -0.971 37.167 38.000 0.229 0.000 1.072 601 I HN 0.372 nan 8.210 nan 0.000 0.417 602 A N 1.161 123.998 122.820 0.028 0.000 1.883 602 A HA -0.188 4.137 4.320 0.009 0.000 0.217 602 A C 2.446 180.041 177.584 0.019 0.000 1.186 602 A CA 2.369 54.448 52.037 0.069 0.000 0.624 602 A CB -1.094 17.975 19.000 0.116 0.000 0.822 602 A HN 0.371 nan 8.150 nan 0.000 0.444 603 V N -2.175 117.727 119.914 -0.020 0.000 2.453 603 V HA -0.117 4.008 4.120 0.009 0.000 0.247 603 V C 2.251 178.281 176.094 -0.107 0.000 1.048 603 V CA 1.712 64.031 62.300 0.031 0.000 1.049 603 V CB -0.942 30.981 31.823 0.166 0.000 0.672 603 V HN 0.444 nan 8.190 nan 0.000 0.457 604 L N 0.026 121.079 121.223 -0.282 0.000 2.109 604 L HA -0.047 4.298 4.340 0.009 0.000 0.207 604 L C 2.659 179.410 176.870 -0.199 0.000 1.086 604 L CA 1.174 55.828 54.840 -0.310 0.000 0.760 604 L CB -0.478 41.374 42.059 -0.346 0.000 0.910 604 L HN 0.260 nan 8.230 nan 0.000 0.437 605 V N -0.308 119.513 119.914 -0.155 0.000 2.809 605 V HA -0.241 3.884 4.120 0.009 0.000 0.256 605 V C 2.177 178.221 176.094 -0.083 0.000 1.080 605 V CA 1.660 63.869 62.300 -0.152 0.000 1.102 605 V CB -0.389 31.355 31.823 -0.132 0.000 0.705 605 V HN 0.498 nan 8.190 nan 0.000 0.475 606 D N 0.281 120.661 120.400 -0.034 0.000 2.110 606 D HA -0.122 4.524 4.640 0.009 0.000 0.202 606 D C 2.003 178.315 176.300 0.019 0.000 0.975 606 D CA 0.872 54.880 54.000 0.014 0.000 0.839 606 D CB 0.145 40.984 40.800 0.065 0.000 0.996 606 D HN 0.192 nan 8.370 nan 0.000 0.464 607 K N 0.141 120.563 120.400 0.036 0.000 2.439 607 K HA 0.040 4.365 4.320 0.009 0.000 0.197 607 K C 1.883 178.476 176.600 -0.013 0.000 1.041 607 K CA 0.159 56.481 56.287 0.058 0.000 0.970 607 K CB -0.049 32.551 32.500 0.166 0.000 0.773 607 K HN 0.359 nan 8.250 nan 0.000 0.479 608 M N -0.435 119.120 119.600 -0.075 0.000 2.556 608 M HA 0.100 4.585 4.480 0.009 0.000 0.245 608 M C 1.580 177.844 176.300 -0.060 0.000 1.128 608 M CA 0.600 55.837 55.300 -0.106 0.000 1.069 608 M CB 0.242 32.739 32.600 -0.172 0.000 1.469 608 M HN -0.011 nan 8.290 nan 0.000 0.494 609 I N -1.053 119.493 120.570 -0.040 0.000 2.927 609 I HA -0.047 4.128 4.170 0.009 0.000 0.268 609 I C 1.995 178.102 176.117 -0.017 0.000 1.153 609 I CA 0.447 61.728 61.300 -0.032 0.000 1.459 609 I CB -0.073 37.906 38.000 -0.035 0.000 1.149 609 I HN 0.143 nan 8.210 nan 0.000 0.443 610 R N 0.562 121.063 120.500 0.001 0.000 2.307 610 R HA -0.015 4.331 4.340 0.009 0.000 0.199 610 R C 1.413 177.728 176.300 0.026 0.000 1.000 610 R CA 1.404 57.508 56.100 0.007 0.000 1.023 610 R CB -0.143 30.169 30.300 0.021 0.000 0.908 610 R HN 0.409 nan 8.270 nan 0.000 0.473 611 T N -3.625 110.966 114.554 0.062 0.000 3.129 611 T HA 0.137 4.492 4.350 0.009 0.000 0.267 611 T C 0.501 175.333 174.700 0.219 0.000 1.018 611 T CA -0.427 61.761 62.100 0.146 0.000 0.903 611 T CB 0.448 69.469 68.868 0.253 0.000 1.067 611 T HN 0.124 nan 8.240 nan 0.000 0.549 612 Q N -0.307 119.548 119.800 0.093 0.000 2.406 612 Q HA -0.204 4.141 4.340 0.009 0.000 0.236 612 Q C 1.026 177.060 176.000 0.057 0.000 0.799 612 Q CA 1.008 56.851 55.803 0.067 0.000 1.286 612 Q CB -2.003 26.783 28.738 0.081 0.000 1.615 612 Q HN 0.636 nan 8.270 nan 0.000 0.621 613 I N -0.288 120.299 120.570 0.028 0.000 2.127 613 I HA -0.202 3.973 4.170 0.009 0.000 0.241 613 I C 1.439 177.547 176.117 -0.014 0.000 1.075 613 I CA 1.923 63.192 61.300 -0.052 0.000 1.334 613 I CB -0.149 37.765 38.000 -0.143 0.000 1.040 613 I HN 0.227 nan 8.210 nan 0.000 0.405 614 V N -1.633 118.261 119.914 -0.032 0.000 3.164 614 V HA 0.618 4.743 4.120 0.009 0.000 0.313 614 V C -1.410 174.662 176.094 -0.037 0.000 1.188 614 V CA -0.902 61.376 62.300 -0.037 0.000 1.058 614 V CB 1.808 33.587 31.823 -0.072 0.000 1.110 614 V HN 0.276 nan 8.190 nan 0.000 0.453 615 D N -1.593 118.783 120.400 -0.040 0.000 2.714 615 D HA 0.488 5.134 4.640 0.009 0.000 0.278 615 D C 0.609 176.884 176.300 -0.042 0.000 1.102 615 D CA -0.111 53.865 54.000 -0.040 0.000 1.108 615 D CB 0.949 41.730 40.800 -0.032 0.000 1.444 615 D HN 0.517 nan 8.370 nan 0.000 0.568 616 C N -0.234 119.041 119.300 -0.042 0.000 2.446 616 C HA 0.158 4.624 4.460 0.009 0.000 0.277 616 C C 2.795 177.757 174.990 -0.046 0.000 1.275 616 C CA 1.200 60.191 59.018 -0.045 0.000 1.727 616 C CB -1.422 26.288 27.740 -0.049 0.000 2.010 616 C HN 0.781 nan 8.230 nan 0.000 0.486 617 A N 0.655 123.448 122.820 -0.046 0.000 1.978 617 A HA 0.030 4.355 4.320 0.009 0.000 0.220 617 A C 2.299 179.864 177.584 -0.030 0.000 1.170 617 A CA 2.115 54.122 52.037 -0.050 0.000 0.636 617 A CB -0.666 18.307 19.000 -0.046 0.000 0.810 617 A HN 0.598 nan 8.150 nan 0.000 0.448 618 A N -0.843 121.965 122.820 -0.019 0.000 1.898 618 A HA 0.122 4.447 4.320 0.009 0.000 0.214 618 A C 2.189 179.805 177.584 0.052 0.000 1.183 618 A CA 1.417 53.455 52.037 0.003 0.000 0.622 618 A CB -0.750 18.238 19.000 -0.019 0.000 0.824 618 A HN 0.331 nan 8.150 nan 0.000 0.444 619 V N 0.133 120.069 119.914 0.037 0.000 2.343 619 V HA -0.253 3.872 4.120 0.009 0.000 0.247 619 V C 3.073 179.276 176.094 0.182 0.000 1.051 619 V CA 1.859 64.232 62.300 0.121 0.000 1.036 619 V CB -1.248 30.604 31.823 0.049 0.000 0.654 619 V HN 0.606 nan 8.190 nan 0.000 0.451 620 A N 0.644 123.506 122.820 0.069 0.000 1.873 620 A HA -0.305 4.021 4.320 0.009 0.000 0.218 620 A C 2.083 179.757 177.584 0.150 0.000 1.193 620 A CA 2.419 54.494 52.037 0.063 0.000 0.629 620 A CB -0.803 18.156 19.000 -0.068 0.000 0.826 620 A HN 0.606 nan 8.150 nan 0.000 0.447 621 N N -1.499 117.251 118.700 0.083 0.000 2.084 621 N HA -0.200 4.546 4.740 0.009 0.000 0.190 621 N C 1.451 177.043 175.510 0.137 0.000 1.030 621 N CA 1.654 54.753 53.050 0.082 0.000 0.849 621 N CB -0.668 37.840 38.487 0.035 0.000 1.012 621 N HN 0.824 nan 8.380 nan 0.000 0.423 622 W N 1.821 123.101 121.300 -0.034 0.000 2.421 622 W HA -0.004 4.661 4.660 0.009 0.000 0.270 622 W C 1.555 177.995 176.519 -0.132 0.000 1.233 622 W CA 0.589 57.887 57.345 -0.079 0.000 1.226 622 W CB -0.029 29.383 29.460 -0.080 0.000 1.121 622 W HN -0.075 nan 8.180 nan 0.000 0.579 623 I N -0.173 120.246 120.570 -0.252 0.000 2.406 623 I HA -0.169 4.007 4.170 0.009 0.000 0.249 623 I C 1.214 176.993 176.117 -0.563 0.000 1.122 623 I CA 1.287 62.202 61.300 -0.642 0.000 1.431 623 I CB -1.466 36.205 38.000 -0.548 0.000 1.087 623 I HN -0.110 nan 8.210 nan 0.000 0.424 624 F N 1.249 121.031 119.950 -0.280 0.000 2.664 624 F HA 0.099 4.631 4.527 0.009 0.000 0.301 624 F C 1.592 177.247 175.800 -0.241 0.000 1.126 624 F CA -0.414 57.453 58.000 -0.220 0.000 1.373 624 F CB -0.626 38.244 39.000 -0.216 0.000 1.042 624 F HN -0.058 nan 8.300 nan 0.000 0.535 625 S N -1.018 114.581 115.700 -0.170 0.000 2.681 625 S HA 0.206 4.681 4.470 0.009 0.000 0.270 625 S C 1.455 175.924 174.600 -0.218 0.000 1.209 625 S CA -0.072 58.026 58.200 -0.169 0.000 0.988 625 S CB 1.299 64.397 63.200 -0.170 0.000 1.006 625 S HN 0.204 nan 8.310 nan 0.000 0.558 626 S N -0.106 115.498 115.700 -0.160 0.000 2.428 626 S HA -0.050 4.425 4.470 0.009 0.000 0.230 626 S C 1.227 175.724 174.600 -0.172 0.000 1.014 626 S CA 0.772 58.885 58.200 -0.144 0.000 0.957 626 S CB -0.683 62.462 63.200 -0.092 0.000 0.784 626 S HN 0.738 nan 8.310 nan 0.000 0.499 627 E N 0.959 121.021 120.200 -0.229 0.000 2.204 627 E HA 0.149 4.505 4.350 0.009 0.000 0.194 627 E C 1.292 177.608 176.600 -0.474 0.000 0.989 627 E CA 0.494 56.722 56.400 -0.286 0.000 0.824 627 E CB -0.115 29.413 29.700 -0.287 0.000 0.756 627 E HN 0.363 nan 8.360 nan 0.000 0.477 628 L N -0.034 120.862 121.223 -0.545 0.000 2.667 628 L HA 0.214 4.559 4.340 0.009 0.000 0.232 628 L C 1.045 177.787 176.870 -0.213 0.000 1.138 628 L CA 0.491 54.996 54.840 -0.559 0.000 0.921 628 L CB -0.053 41.473 42.059 -0.888 0.000 1.180 628 L HN 0.020 nan 8.230 nan 0.000 0.487 629 S N -0.396 115.214 115.700 -0.150 0.000 2.562 629 S HA 0.056 4.531 4.470 0.009 0.000 0.221 629 S C 1.902 176.541 174.600 0.065 0.000 0.975 629 S CA 0.410 58.581 58.200 -0.048 0.000 0.918 629 S CB 0.194 63.321 63.200 -0.122 0.000 0.772 629 S HN 0.449 nan 8.310 nan 0.000 0.531 630 R N 0.995 121.529 120.500 0.056 0.000 2.090 630 R HA 0.111 4.456 4.340 0.009 0.000 0.219 630 R C 0.423 176.834 176.300 0.185 0.000 1.100 630 R CA 0.941 57.109 56.100 0.114 0.000 0.991 630 R CB -0.033 30.328 30.300 0.103 0.000 0.893 630 R HN 0.192 nan 8.270 nan 0.000 0.443 631 D N -0.024 120.493 120.400 0.195 0.000 2.424 631 D HA 0.006 4.652 4.640 0.009 0.000 0.220 631 D C 0.722 177.116 176.300 0.157 0.000 1.150 631 D CA -0.099 54.058 54.000 0.261 0.000 0.831 631 D CB 0.061 41.140 40.800 0.466 0.000 0.981 631 D HN 0.026 nan 8.370 nan 0.000 0.500 632 F N 1.970 121.905 119.950 -0.026 0.000 2.250 632 F HA -0.232 4.301 4.527 0.009 0.000 0.301 632 F C 2.149 177.961 175.800 0.021 0.000 1.077 632 F CA 1.601 59.520 58.000 -0.135 0.000 1.348 632 F CB -0.040 38.947 39.000 -0.022 0.000 1.040 632 F HN -0.021 nan 8.300 nan 0.000 0.509 633 T N -2.128 112.541 114.554 0.193 0.000 3.054 633 T HA 0.110 4.465 4.350 0.009 0.000 0.259 633 T C 1.316 176.119 174.700 0.173 0.000 1.092 633 T CA -0.233 61.964 62.100 0.162 0.000 1.121 633 T CB -0.267 68.726 68.868 0.208 0.000 0.912 633 T HN 0.061 nan 8.240 nan 0.000 0.489 634 R N 0.305 120.916 120.500 0.186 0.000 2.863 634 R HA 0.223 4.568 4.340 0.009 0.000 0.273 634 R C 1.341 177.805 176.300 0.274 0.000 1.057 634 R CA -0.327 55.929 56.100 0.260 0.000 1.191 634 R CB 0.205 30.759 30.300 0.423 0.000 1.104 634 R HN 0.137 nan 8.270 nan 0.000 0.519 635 L N 1.797 123.207 121.223 0.312 0.000 2.095 635 L HA -0.112 4.233 4.340 0.009 0.000 0.204 635 L C 2.050 179.088 176.870 0.281 0.000 1.080 635 L CA 1.529 56.547 54.840 0.298 0.000 0.759 635 L CB -0.581 41.611 42.059 0.222 0.000 0.914 635 L HN 0.730 nan 8.230 nan 0.000 0.439 636 F N -1.566 118.437 119.950 0.087 0.000 2.250 636 F HA -0.091 4.441 4.527 0.009 0.000 0.301 636 F C 1.856 177.660 175.800 0.007 0.000 1.077 636 F CA 1.277 59.317 58.000 0.066 0.000 1.348 636 F CB -1.846 37.193 39.000 0.065 0.000 1.040 636 F HN -0.103 nan 8.300 nan 0.000 0.509 637 V N -0.403 118.909 119.914 -1.003 0.000 2.594 637 V HA -0.261 3.864 4.120 0.009 0.000 0.253 637 V C 1.766 177.341 176.094 -0.866 0.000 1.069 637 V CA 1.995 63.572 62.300 -1.205 0.000 1.082 637 V CB -0.896 30.111 31.823 -1.361 0.000 0.680 637 V HN 0.558 nan 8.190 nan 0.000 0.469 638 W N -0.664 120.501 121.300 -0.225 0.000 2.735 638 W HA 0.171 4.836 4.660 0.009 0.000 0.264 638 W C 2.126 178.692 176.519 0.078 0.000 1.233 638 W CA -0.186 57.134 57.345 -0.041 0.000 1.408 638 W CB -0.011 29.450 29.460 0.001 0.000 1.038 638 W HN 0.095 nan 8.180 nan 0.000 0.603 639 E N 0.692 121.034 120.200 0.236 0.000 2.526 639 E HA -0.055 4.300 4.350 0.009 0.000 0.198 639 E C 1.528 178.218 176.600 0.150 0.000 1.091 639 E CA 0.590 57.111 56.400 0.202 0.000 0.880 639 E CB -0.122 29.689 29.700 0.184 0.000 0.873 639 E HN 0.421 nan 8.360 nan 0.000 0.527 640 I N -0.495 120.126 120.570 0.085 0.000 4.032 640 I HA -0.070 4.105 4.170 0.009 0.000 0.313 640 I C 1.648 177.789 176.117 0.041 0.000 1.272 640 I CA 0.078 61.412 61.300 0.056 0.000 1.307 640 I CB 0.423 38.436 38.000 0.022 0.000 1.155 640 I HN 0.131 nan 8.210 nan 0.000 0.431 641 L N 0.333 121.569 121.223 0.023 0.000 2.102 641 L HA 0.002 4.347 4.340 0.009 0.000 0.202 641 L C 2.104 178.964 176.870 -0.016 0.000 1.076 641 L CA 1.911 56.736 54.840 -0.025 0.000 0.761 641 L CB -0.628 41.395 42.059 -0.060 0.000 0.921 641 L HN 0.198 nan 8.230 nan 0.000 0.444 642 H N -1.560 117.609 119.070 0.165 0.000 2.572 642 H HA 0.120 4.681 4.556 0.009 0.000 0.278 642 H C 1.466 176.898 175.328 0.173 0.000 1.050 642 H CA 0.779 56.954 56.048 0.213 0.000 1.168 642 H CB 0.349 30.274 29.762 0.272 0.000 1.316 642 H HN 0.371 nan 8.280 nan 0.000 0.610 643 S N -0.932 114.881 115.700 0.187 0.000 2.593 643 S HA -0.002 4.473 4.470 0.009 0.000 0.235 643 S C 1.843 176.498 174.600 0.092 0.000 1.059 643 S CA 0.032 58.319 58.200 0.144 0.000 0.953 643 S CB 0.407 63.684 63.200 0.130 0.000 0.897 643 S HN 0.219 nan 8.310 nan 0.000 0.507 644 T N 2.164 116.748 114.554 0.050 0.000 2.978 644 T HA 0.253 4.609 4.350 0.009 0.000 0.262 644 T C 1.560 176.257 174.700 -0.004 0.000 1.063 644 T CA 0.812 62.919 62.100 0.011 0.000 1.140 644 T CB -0.124 68.733 68.868 -0.018 0.000 0.886 644 T HN 0.337 nan 8.240 nan 0.000 0.470 645 I N 0.712 121.262 120.570 -0.033 0.000 2.406 645 I HA -0.052 4.123 4.170 0.009 0.000 0.249 645 I C 2.787 178.972 176.117 0.113 0.000 1.122 645 I CA 0.843 62.114 61.300 -0.048 0.000 1.431 645 I CB -0.321 37.512 38.000 -0.280 0.000 1.087 645 I HN 0.109 nan 8.210 nan 0.000 0.424 646 R N 1.711 122.310 120.500 0.166 0.000 2.091 646 R HA -0.208 4.137 4.340 0.009 0.000 0.238 646 R C 2.215 178.601 176.300 0.143 0.000 1.136 646 R CA 1.653 57.866 56.100 0.188 0.000 0.959 646 R CB -0.049 30.358 30.300 0.178 0.000 0.856 646 R HN 0.280 nan 8.270 nan 0.000 0.437 647 K N -0.116 120.350 120.400 0.110 0.000 2.097 647 K HA -0.186 4.139 4.320 0.009 0.000 0.206 647 K C 2.062 178.733 176.600 0.119 0.000 1.049 647 K CA 1.636 57.981 56.287 0.096 0.000 0.933 647 K CB -0.162 32.372 32.500 0.057 0.000 0.717 647 K HN 0.162 nan 8.250 nan 0.000 0.442 648 M N 1.680 121.348 119.600 0.112 0.000 2.117 648 M HA -0.132 4.353 4.480 0.009 0.000 0.262 648 M C 1.232 177.650 176.300 0.198 0.000 1.065 648 M CA 1.668 57.055 55.300 0.146 0.000 1.114 648 M CB -0.104 32.568 32.600 0.120 0.000 1.361 648 M HN 0.018 nan 8.290 nan 0.000 0.408 649 N N 0.329 119.141 118.700 0.187 0.000 2.135 649 N HA -0.094 4.651 4.740 0.009 0.000 0.186 649 N C 1.482 177.072 175.510 0.134 0.000 1.027 649 N CA 1.340 54.490 53.050 0.168 0.000 0.849 649 N CB -0.463 38.134 38.487 0.183 0.000 1.002 649 N HN 0.465 nan 8.380 nan 0.000 0.425 650 K N -0.004 120.479 120.400 0.138 0.000 2.360 650 K HA -0.109 4.216 4.320 0.009 0.000 0.201 650 K C 1.704 178.383 176.600 0.132 0.000 1.046 650 K CA 0.682 57.038 56.287 0.115 0.000 0.945 650 K CB -0.051 32.514 32.500 0.109 0.000 0.750 650 K HN 0.446 nan 8.250 nan 0.000 0.464 651 H N -0.162 118.943 119.070 0.058 0.000 2.451 651 H HA 0.048 4.609 4.556 0.009 0.000 0.294 651 H C 1.814 177.171 175.328 0.048 0.000 1.028 651 H CA 0.589 56.666 56.048 0.049 0.000 1.349 651 H CB 0.533 30.324 29.762 0.048 0.000 1.444 651 H HN -0.094 nan 8.280 nan 0.000 0.538 652 V N 1.633 121.558 119.914 0.017 0.000 2.358 652 V HA -0.231 3.895 4.120 0.009 0.000 0.246 652 V C 2.827 178.894 176.094 -0.046 0.000 1.047 652 V CA 1.270 63.550 62.300 -0.033 0.000 1.035 652 V CB -0.468 31.392 31.823 0.062 0.000 0.658 652 V HN 0.344 nan 8.190 nan 0.000 0.452 653 L N -0.205 121.015 121.223 -0.005 0.000 2.109 653 L HA -0.153 4.192 4.340 0.009 0.000 0.207 653 L C 2.548 179.404 176.870 -0.023 0.000 1.086 653 L CA 1.625 56.463 54.840 -0.004 0.000 0.760 653 L CB -0.697 41.374 42.059 0.020 0.000 0.910 653 L HN 0.325 nan 8.230 nan 0.000 0.437 654 K N 1.170 121.549 120.400 -0.034 0.000 2.074 654 K HA -0.209 4.117 4.320 0.009 0.000 0.209 654 K C 2.024 178.585 176.600 -0.065 0.000 1.048 654 K CA 1.611 57.876 56.287 -0.036 0.000 0.926 654 K CB -0.071 32.415 32.500 -0.023 0.000 0.713 654 K HN 0.254 nan 8.250 nan 0.000 0.444 655 I N 0.623 121.119 120.570 -0.124 0.000 2.193 655 I HA -0.246 3.929 4.170 0.009 0.000 0.240 655 I C 2.569 178.651 176.117 -0.057 0.000 1.084 655 I CA 1.069 62.305 61.300 -0.106 0.000 1.365 655 I CB -0.460 37.444 38.000 -0.161 0.000 1.064 655 I HN 0.278 nan 8.210 nan 0.000 0.410 656 Q N 1.002 120.772 119.800 -0.050 0.000 2.096 656 Q HA -0.321 4.024 4.340 0.009 0.000 0.208 656 Q C 2.180 178.169 176.000 -0.018 0.000 0.993 656 Q CA 2.335 58.123 55.803 -0.026 0.000 0.862 656 Q CB -0.235 28.493 28.738 -0.017 0.000 0.915 656 Q HN 0.295 nan 8.270 nan 0.000 0.416 657 K N 1.275 121.664 120.400 -0.017 0.000 2.002 657 K HA -0.225 4.100 4.320 0.009 0.000 0.209 657 K C 1.689 178.284 176.600 -0.009 0.000 1.048 657 K CA 1.968 58.250 56.287 -0.009 0.000 0.930 657 K CB -0.242 32.255 32.500 -0.004 0.000 0.714 657 K HN 0.160 nan 8.250 nan 0.000 0.438 658 E N -0.585 119.606 120.200 -0.015 0.000 2.333 658 E HA -0.159 4.196 4.350 0.009 0.000 0.198 658 E C 1.635 178.229 176.600 -0.010 0.000 1.007 658 E CA 0.819 57.212 56.400 -0.011 0.000 0.845 658 E CB -0.010 29.681 29.700 -0.015 0.000 0.766 658 E HN 0.344 nan 8.360 nan 0.000 0.507 659 L N 0.497 121.712 121.223 -0.012 0.000 2.253 659 L HA 0.055 4.400 4.340 0.009 0.000 0.205 659 L C 1.454 178.321 176.870 -0.006 0.000 1.078 659 L CA 1.462 56.297 54.840 -0.009 0.000 0.805 659 L CB 0.100 42.153 42.059 -0.010 0.000 0.963 659 L HN -0.024 nan 8.230 nan 0.000 0.459 660 E N -0.397 119.800 120.200 -0.006 0.000 2.478 660 E HA -0.122 4.234 4.350 0.009 0.000 0.198 660 E C 1.242 177.840 176.600 -0.003 0.000 1.046 660 E CA 0.670 57.068 56.400 -0.004 0.000 0.870 660 E CB 0.113 29.810 29.700 -0.004 0.000 0.818 660 E HN 0.611 nan 8.360 nan 0.000 0.527 661 E N -0.391 119.807 120.200 -0.003 0.000 2.476 661 E HA 0.130 4.485 4.350 0.009 0.000 0.199 661 E C 1.457 178.056 176.600 -0.001 0.000 1.021 661 E CA 0.144 56.544 56.400 -0.001 0.000 0.907 661 E CB 0.654 30.353 29.700 -0.001 0.000 0.974 661 E HN 0.160 nan 8.360 nan 0.000 0.489 662 A N 1.066 123.885 122.820 -0.002 0.000 2.063 662 A HA 0.034 4.360 4.320 0.009 0.000 0.211 662 A C 1.859 179.443 177.584 -0.001 0.000 1.177 662 A CA 0.425 52.461 52.037 -0.001 0.000 0.759 662 A CB 0.161 19.161 19.000 -0.001 0.000 0.857 662 A HN -0.060 nan 8.150 nan 0.000 0.468 663 K N 0.115 120.514 120.400 -0.001 0.000 2.062 663 K HA -0.069 4.257 4.320 0.009 0.000 0.205 663 K C 1.792 178.391 176.600 -0.001 0.000 1.051 663 K CA 1.319 57.605 56.287 -0.001 0.000 0.941 663 K CB -0.100 32.399 32.500 -0.002 0.000 0.719 663 K HN 0.544 nan 8.250 nan 0.000 0.440 664 E N 1.120 121.319 120.200 -0.002 0.000 2.058 664 E HA -0.219 4.137 4.350 0.009 0.000 0.194 664 E C 1.989 178.588 176.600 -0.001 0.000 0.997 664 E CA 1.127 57.526 56.400 -0.002 0.000 0.801 664 E CB -0.000 29.699 29.700 -0.002 0.000 0.746 664 E HN 0.169 nan 8.360 nan 0.000 0.450 665 K N 1.065 121.464 120.400 -0.001 0.000 2.218 665 K HA -0.117 4.208 4.320 0.009 0.000 0.205 665 K C 0.994 177.594 176.600 -0.000 0.000 1.046 665 K CA 0.498 56.785 56.287 -0.000 0.000 0.933 665 K CB -0.135 32.365 32.500 0.000 0.000 0.728 665 K HN 0.107 nan 8.250 nan 0.000 0.454 666 L N 1.486 122.709 121.223 -0.000 0.000 2.391 666 L HA 0.197 4.542 4.340 0.009 0.000 0.249 666 L C -0.594 176.276 176.870 -0.001 0.000 1.308 666 L CA -0.380 54.459 54.840 -0.000 0.000 1.209 666 L CB -0.033 42.026 42.059 -0.000 0.000 1.401 666 L HN 0.259 nan 8.230 nan 0.000 0.416 684 K N 1.283 121.684 120.400 0.002 0.000 2.127 684 K HA -0.169 4.156 4.320 0.009 0.000 0.208 684 K C 1.023 177.624 176.600 0.002 0.000 1.047 684 K CA 2.113 58.401 56.287 0.002 0.000 0.927 684 K CB -0.181 32.320 32.500 0.002 0.000 0.716 684 K HN 0.236 nan 8.250 nan 0.000 0.450 685 D N 0.163 120.564 120.400 0.002 0.000 2.108 685 D HA -0.154 4.491 4.640 0.009 0.000 0.190 685 D C 2.058 178.359 176.300 0.002 0.000 0.995 685 D CA 1.732 55.733 54.000 0.002 0.000 0.834 685 D CB -0.767 40.034 40.800 0.001 0.000 0.967 685 D HN 0.350 nan 8.370 nan 0.000 0.446 686 G N 0.488 109.289 108.800 0.002 0.000 2.446 686 G HA2 -0.235 3.731 3.960 0.009 0.000 0.217 686 G HA3 -0.235 3.731 3.960 0.009 0.000 0.217 686 G C 1.857 176.758 174.900 0.003 0.000 1.168 686 G CA 1.156 46.258 45.100 0.003 0.000 0.771 686 G HN 0.271 nan 8.290 nan 0.000 0.551 687 V N 0.379 120.294 119.914 0.003 0.000 2.469 687 V HA -0.129 3.997 4.120 0.009 0.000 0.251 687 V C 2.616 178.712 176.094 0.003 0.000 1.064 687 V CA 1.594 63.896 62.300 0.003 0.000 1.066 687 V CB -0.340 31.485 31.823 0.003 0.000 0.667 687 V HN 0.320 nan 8.190 nan 0.000 0.461 688 L N 0.757 121.982 121.223 0.003 0.000 2.168 688 L HA -0.012 4.333 4.340 0.009 0.000 0.203 688 L C 2.560 179.432 176.870 0.003 0.000 1.078 688 L CA 2.024 56.866 54.840 0.003 0.000 0.780 688 L CB -0.705 41.356 42.059 0.002 0.000 0.939 688 L HN 0.592 nan 8.230 nan 0.000 0.451 689 E N -1.137 119.065 120.200 0.003 0.000 2.333 689 E HA -0.272 4.083 4.350 0.009 0.000 0.198 689 E C 1.715 178.317 176.600 0.003 0.000 1.007 689 E CA 1.256 57.658 56.400 0.003 0.000 0.845 689 E CB -0.162 29.540 29.700 0.003 0.000 0.766 689 E HN 0.501 nan 8.360 nan 0.000 0.507 690 E N 1.178 121.381 120.200 0.004 0.000 2.028 690 E HA -0.148 4.207 4.350 0.009 0.000 0.190 690 E C 2.103 178.706 176.600 0.005 0.000 0.984 690 E CA 1.567 57.969 56.400 0.005 0.000 0.800 690 E CB 0.018 29.721 29.700 0.005 0.000 0.758 690 E HN 0.388 nan 8.360 nan 0.000 0.448 691 Q N -0.135 119.668 119.800 0.005 0.000 2.170 691 Q HA -0.146 4.199 4.340 0.009 0.000 0.203 691 Q C 1.984 177.986 176.000 0.004 0.000 0.976 691 Q CA 0.854 56.660 55.803 0.005 0.000 0.858 691 Q CB -0.060 28.680 28.738 0.004 0.000 0.907 691 Q HN 0.324 nan 8.270 nan 0.000 0.433 692 I N 1.348 121.920 120.570 0.003 0.000 2.099 692 I HA -0.268 3.907 4.170 0.009 0.000 0.239 692 I C 2.086 178.205 176.117 0.004 0.000 1.066 692 I CA 1.675 62.977 61.300 0.003 0.000 1.324 692 I CB -1.135 36.866 38.000 0.002 0.000 1.037 692 I HN 0.299 nan 8.210 nan 0.000 0.401 693 E N 0.260 120.462 120.200 0.005 0.000 2.070 693 E HA -0.275 4.080 4.350 0.009 0.000 0.197 693 E C 2.352 178.957 176.600 0.007 0.000 1.004 693 E CA 1.464 57.867 56.400 0.006 0.000 0.805 693 E CB -0.241 29.463 29.700 0.006 0.000 0.744 693 E HN 0.325 nan 8.360 nan 0.000 0.451 694 R N 0.591 121.095 120.500 0.007 0.000 2.148 694 R HA -0.072 4.274 4.340 0.009 0.000 0.227 694 R C 2.080 178.385 176.300 0.009 0.000 1.103 694 R CA 0.734 56.839 56.100 0.009 0.000 0.983 694 R CB 0.025 30.331 30.300 0.010 0.000 0.874 694 R HN 0.173 nan 8.270 nan 0.000 0.451 695 L N -0.209 121.017 121.223 0.005 0.000 2.418 695 L HA -0.019 4.327 4.340 0.009 0.000 0.218 695 L C 2.382 179.251 176.870 -0.001 0.000 1.125 695 L CA 0.703 55.543 54.840 0.001 0.000 0.835 695 L CB -0.166 41.891 42.059 -0.003 0.000 0.953 695 L HN 0.346 nan 8.230 nan 0.000 0.454 696 Q N 0.365 120.167 119.800 0.003 0.000 2.212 696 Q HA -0.203 4.142 4.340 0.009 0.000 0.199 696 Q C 1.999 178.004 176.000 0.009 0.000 0.950 696 Q CA 1.060 56.866 55.803 0.005 0.000 0.863 696 Q CB 0.302 29.044 28.738 0.006 0.000 0.944 696 Q HN 0.429 nan 8.270 nan 0.000 0.465 697 E N 0.156 120.362 120.200 0.011 0.000 2.216 697 E HA -0.155 4.200 4.350 0.009 0.000 0.192 697 E C 1.770 178.381 176.600 0.018 0.000 0.988 697 E CA 0.583 56.992 56.400 0.015 0.000 0.834 697 E CB 0.188 29.898 29.700 0.015 0.000 0.772 697 E HN 0.139 nan 8.360 nan 0.000 0.479 698 K N -0.027 120.382 120.400 0.014 0.000 2.103 698 K HA -0.075 4.250 4.320 0.009 0.000 0.204 698 K C 1.948 178.552 176.600 0.007 0.000 1.052 698 K CA 0.910 57.207 56.287 0.016 0.000 0.945 698 K CB 0.184 32.689 32.500 0.008 0.000 0.722 698 K HN 0.014 nan 8.250 nan 0.000 0.443 699 V N 1.814 121.726 119.914 -0.002 0.000 2.261 699 V HA -0.235 3.891 4.120 0.009 0.000 0.246 699 V C 1.854 177.958 176.094 0.017 0.000 1.047 699 V CA 1.914 64.211 62.300 -0.005 0.000 1.015 699 V CB -0.388 31.432 31.823 -0.005 0.000 0.642 699 V HN 0.388 nan 8.190 nan 0.000 0.446 700 E N -0.116 120.097 120.200 0.021 0.000 2.209 700 E HA -0.183 4.172 4.350 0.009 0.000 0.196 700 E C 2.332 178.953 176.600 0.036 0.000 0.993 700 E CA 1.500 57.918 56.400 0.030 0.000 0.819 700 E CB -0.138 29.577 29.700 0.025 0.000 0.745 700 E HN 0.536 nan 8.360 nan 0.000 0.477 701 S N 0.432 116.154 115.700 0.037 0.000 2.348 701 S HA -0.038 4.437 4.470 0.009 0.000 0.219 701 S C 2.136 176.775 174.600 0.066 0.000 1.033 701 S CA 0.711 58.938 58.200 0.046 0.000 0.974 701 S CB -0.076 63.153 63.200 0.048 0.000 0.868 701 S HN 0.374 nan 8.310 nan 0.000 0.459 702 A N 1.582 124.447 122.820 0.076 0.000 1.908 702 A HA -0.196 4.130 4.320 0.009 0.000 0.218 702 A C 2.048 179.694 177.584 0.104 0.000 1.181 702 A CA 1.510 53.616 52.037 0.115 0.000 0.627 702 A CB -0.688 18.348 19.000 0.059 0.000 0.818 702 A HN 0.554 nan 8.150 nan 0.000 0.445 703 Q N -0.807 119.039 119.800 0.077 0.000 2.170 703 Q HA -0.119 4.226 4.340 0.009 0.000 0.203 703 Q C 2.393 178.446 176.000 0.089 0.000 0.976 703 Q CA 1.414 57.272 55.803 0.092 0.000 0.858 703 Q CB -0.204 28.582 28.738 0.080 0.000 0.907 703 Q HN 0.696 nan 8.270 nan 0.000 0.433 704 S N 0.931 116.667 115.700 0.061 0.000 2.338 704 S HA -0.222 4.254 4.470 0.009 0.000 0.218 704 S C 1.902 176.515 174.600 0.021 0.000 1.032 704 S CA 1.388 59.607 58.200 0.030 0.000 0.999 704 S CB -0.137 63.077 63.200 0.024 0.000 0.905 704 S HN 0.433 nan 8.310 nan 0.000 0.439 705 E N 0.384 120.609 120.200 0.041 0.000 2.118 705 E HA -0.253 4.103 4.350 0.009 0.000 0.195 705 E C 2.262 178.893 176.600 0.052 0.000 0.992 705 E CA 1.356 57.777 56.400 0.034 0.000 0.804 705 E CB -0.312 29.415 29.700 0.046 0.000 0.741 705 E HN 0.704 nan 8.360 nan 0.000 0.458 706 Q N 0.777 120.637 119.800 0.101 0.000 2.061 706 Q HA -0.260 4.085 4.340 0.009 0.000 0.204 706 Q C 2.193 178.305 176.000 0.187 0.000 0.984 706 Q CA 1.957 57.865 55.803 0.175 0.000 0.846 706 Q CB -0.099 28.766 28.738 0.211 0.000 0.902 706 Q HN 0.129 nan 8.270 nan 0.000 0.421 707 K N 0.015 120.441 120.400 0.044 0.000 2.097 707 K HA -0.202 4.123 4.320 0.009 0.000 0.206 707 K C 1.858 178.333 176.600 -0.209 0.000 1.049 707 K CA 1.538 57.652 56.287 -0.288 0.000 0.933 707 K CB -0.123 32.083 32.500 -0.490 0.000 0.717 707 K HN 0.142 nan 8.250 nan 0.000 0.442 708 N N 0.741 119.378 118.700 -0.105 0.000 2.069 708 N HA -0.206 4.539 4.740 0.009 0.000 0.191 708 N C 1.729 177.183 175.510 -0.095 0.000 1.031 708 N CA 1.309 54.303 53.050 -0.093 0.000 0.852 708 N CB -0.266 38.185 38.487 -0.060 0.000 1.018 708 N HN 0.182 nan 8.380 nan 0.000 0.423 709 L N -0.250 120.934 121.223 -0.064 0.000 1.971 709 L HA -0.111 4.234 4.340 0.009 0.000 0.215 709 L C 1.860 178.589 176.870 -0.235 0.000 1.072 709 L CA 1.805 56.568 54.840 -0.129 0.000 0.758 709 L CB -1.184 40.813 42.059 -0.103 0.000 0.889 709 L HN 0.196 nan 8.230 nan 0.000 0.433 710 F N -1.245 118.550 119.950 -0.258 0.000 2.171 710 F HA -0.216 4.316 4.527 0.009 0.000 0.300 710 F C 2.149 177.587 175.800 -0.604 0.000 1.090 710 F CA 1.150 58.892 58.000 -0.430 0.000 1.293 710 F CB -0.439 38.463 39.000 -0.163 0.000 1.013 710 F HN 0.114 nan 8.300 nan 0.000 0.486 711 L N -0.915 120.213 121.223 -0.160 0.000 2.141 711 L HA -0.135 4.210 4.340 0.009 0.000 0.209 711 L C 2.296 179.074 176.870 -0.154 0.000 1.094 711 L CA 1.052 55.834 54.840 -0.095 0.000 0.763 711 L CB -0.945 41.066 42.059 -0.079 0.000 0.908 711 L HN -0.069 nan 8.230 nan 0.000 0.437 712 V N -0.644 119.143 119.914 -0.211 0.000 2.358 712 V HA -0.261 3.864 4.120 0.009 0.000 0.246 712 V C 2.426 178.312 176.094 -0.347 0.000 1.047 712 V CA 1.085 63.245 62.300 -0.234 0.000 1.035 712 V CB -0.397 31.299 31.823 -0.211 0.000 0.658 712 V HN 0.242 nan 8.190 nan 0.000 0.452 713 I N 0.029 120.338 120.570 -0.435 0.000 2.091 713 I HA -0.240 3.935 4.170 0.009 0.000 0.239 713 I C 2.420 178.418 176.117 -0.199 0.000 1.061 713 I CA 2.143 63.169 61.300 -0.456 0.000 1.317 713 I CB -1.370 36.318 38.000 -0.520 0.000 1.031 713 I HN 0.259 nan 8.210 nan 0.000 0.401 714 F N 1.106 121.100 119.950 0.073 0.000 2.234 714 F HA -0.136 4.396 4.527 0.009 0.000 0.299 714 F C 2.737 178.526 175.800 -0.018 0.000 1.087 714 F CA 0.717 58.809 58.000 0.154 0.000 1.340 714 F CB -1.386 37.712 39.000 0.164 0.000 1.031 714 F HN 0.212 nan 8.300 nan 0.000 0.500 715 Q N -0.040 119.772 119.800 0.020 0.000 2.096 715 Q HA -0.175 4.171 4.340 0.009 0.000 0.204 715 Q C 2.341 178.264 176.000 -0.128 0.000 0.982 715 Q CA 1.237 56.996 55.803 -0.073 0.000 0.850 715 Q CB -0.125 28.547 28.738 -0.111 0.000 0.901 715 Q HN 0.269 nan 8.270 nan 0.000 0.422 716 R N -0.404 119.899 120.500 -0.329 0.000 2.093 716 R HA -0.032 4.313 4.340 0.009 0.000 0.224 716 R C 1.994 178.133 176.300 -0.267 0.000 1.101 716 R CA 0.879 56.671 56.100 -0.512 0.000 0.979 716 R CB -0.613 28.905 30.300 -1.304 0.000 0.877 716 R HN 0.235 nan 8.270 nan 0.000 0.441 717 F N 1.318 121.218 119.950 -0.083 0.000 2.060 717 F HA -0.033 4.499 4.527 0.009 0.000 0.295 717 F C 2.440 178.364 175.800 0.206 0.000 1.120 717 F CA 0.866 59.020 58.000 0.256 0.000 1.205 717 F CB -0.676 38.550 39.000 0.377 0.000 0.986 717 F HN -0.159 nan 8.300 nan 0.000 0.470 718 I N -0.639 120.123 120.570 0.321 0.000 2.315 718 I HA -0.376 3.799 4.170 0.009 0.000 0.251 718 I C 2.527 178.730 176.117 0.144 0.000 1.125 718 I CA 1.276 62.674 61.300 0.163 0.000 1.392 718 I CB -0.392 37.582 38.000 -0.043 0.000 1.065 718 I HN 0.266 nan 8.210 nan 0.000 0.424 719 M N 1.153 120.819 119.600 0.109 0.000 2.073 719 M HA -0.175 4.311 4.480 0.009 0.000 0.259 719 M C 2.454 178.840 176.300 0.144 0.000 1.079 719 M CA 2.008 57.357 55.300 0.081 0.000 1.131 719 M CB -0.144 32.466 32.600 0.016 0.000 1.316 719 M HN 0.236 nan 8.290 nan 0.000 0.415 720 I N -1.255 119.432 120.570 0.195 0.000 2.614 720 I HA -0.216 3.959 4.170 0.009 0.000 0.258 720 I C 1.699 178.065 176.117 0.416 0.000 1.189 720 I CA 1.098 62.554 61.300 0.259 0.000 1.462 720 I CB -0.484 37.689 38.000 0.288 0.000 1.092 720 I HN 0.318 nan 8.210 nan 0.000 0.442 721 L N 0.731 122.214 121.223 0.433 0.000 2.102 721 L HA -0.047 4.298 4.340 0.009 0.000 0.202 721 L C 2.680 179.787 176.870 0.396 0.000 1.076 721 L CA 1.330 56.468 54.840 0.496 0.000 0.761 721 L CB -0.768 41.562 42.059 0.451 0.000 0.921 721 L HN 0.185 nan 8.230 nan 0.000 0.444 722 T N -0.753 113.965 114.554 0.273 0.000 2.759 722 T HA -0.208 4.147 4.350 0.009 0.000 0.269 722 T C 1.808 176.603 174.700 0.158 0.000 1.042 722 T CA 1.254 63.470 62.100 0.193 0.000 1.140 722 T CB -0.120 68.823 68.868 0.126 0.000 0.864 722 T HN 0.265 nan 8.240 nan 0.000 0.455 723 E N 1.010 121.304 120.200 0.157 0.000 2.051 723 E HA -0.188 4.167 4.350 0.009 0.000 0.192 723 E C 1.997 178.656 176.600 0.100 0.000 0.991 723 E CA 1.422 57.881 56.400 0.097 0.000 0.799 723 E CB -0.330 29.411 29.700 0.067 0.000 0.748 723 E HN 0.646 nan 8.360 nan 0.000 0.449 724 H N -0.118 119.003 119.070 0.085 0.000 2.521 724 H HA 0.036 4.597 4.556 0.009 0.000 0.286 724 H C 2.030 177.406 175.328 0.080 0.000 1.034 724 H CA 1.184 57.270 56.048 0.064 0.000 1.278 724 H CB 0.026 29.906 29.762 0.196 0.000 1.386 724 H HN 0.106 nan 8.280 nan 0.000 0.567 725 L N -1.321 119.951 121.223 0.080 0.000 2.130 725 L HA -0.035 4.310 4.340 0.009 0.000 0.200 725 L C 2.332 179.184 176.870 -0.031 0.000 1.075 725 L CA 0.581 55.423 54.840 0.004 0.000 0.768 725 L CB -0.307 41.837 42.059 0.141 0.000 0.933 725 L HN 0.116 nan 8.230 nan 0.000 0.451 726 V N 0.387 120.309 119.914 0.013 0.000 2.546 726 V HA -0.312 3.813 4.120 0.009 0.000 0.254 726 V C 2.634 178.705 176.094 -0.039 0.000 1.076 726 V CA 1.888 64.187 62.300 -0.002 0.000 1.087 726 V CB -0.746 31.085 31.823 0.014 0.000 0.674 726 V HN 0.425 nan 8.190 nan 0.000 0.470 727 R N -0.645 119.812 120.500 -0.071 0.000 2.056 727 R HA -0.126 4.219 4.340 0.009 0.000 0.227 727 R C 2.417 178.641 176.300 -0.127 0.000 1.149 727 R CA 2.104 58.146 56.100 -0.097 0.000 0.937 727 R CB -0.699 29.532 30.300 -0.114 0.000 0.835 727 R HN 0.488 nan 8.270 nan 0.000 0.430 728 C N 1.268 120.440 119.300 -0.213 0.000 2.413 728 C HA -0.053 4.412 4.460 0.009 0.000 0.277 728 C C 2.228 177.140 174.990 -0.130 0.000 1.265 728 C CA 0.883 59.778 59.018 -0.207 0.000 1.752 728 C CB -0.860 26.677 27.740 -0.337 0.000 1.998 728 C HN 0.599 nan 8.230 nan 0.000 0.489 729 E N -0.312 119.823 120.200 -0.109 0.000 2.409 729 E HA -0.120 4.235 4.350 0.009 0.000 0.198 729 E C 1.883 178.457 176.600 -0.042 0.000 1.024 729 E CA 1.236 57.600 56.400 -0.060 0.000 0.861 729 E CB -0.030 29.653 29.700 -0.029 0.000 0.788 729 E HN 0.657 nan 8.360 nan 0.000 0.521 730 T N 0.194 114.719 114.554 -0.049 0.000 3.045 730 T HA -0.037 4.319 4.350 0.009 0.000 0.239 730 T C 0.968 175.646 174.700 -0.037 0.000 1.008 730 T CA 0.348 62.427 62.100 -0.036 0.000 1.143 730 T CB -0.017 68.832 68.868 -0.031 0.000 0.894 730 T HN -0.027 nan 8.240 nan 0.000 0.451 731 D N 1.220 121.591 120.400 -0.049 0.000 2.403 731 D HA 0.164 4.809 4.640 0.009 0.000 0.227 731 D C 1.317 177.594 176.300 -0.038 0.000 0.995 731 D CA 0.686 54.660 54.000 -0.043 0.000 0.928 731 D CB -0.559 40.210 40.800 -0.052 0.000 0.887 731 D HN 0.508 nan 8.370 nan 0.000 0.529 732 G N 0.957 109.733 108.800 -0.040 0.000 2.272 732 G HA2 -0.239 3.726 3.960 0.009 0.000 0.280 732 G HA3 -0.239 3.726 3.960 0.009 0.000 0.280 732 G C 0.406 175.285 174.900 -0.035 0.000 1.067 732 G CA 0.685 45.766 45.100 -0.033 0.000 0.902 732 G HN 0.476 nan 8.290 nan 0.000 0.500 733 T N -3.178 111.346 114.554 -0.050 0.000 2.907 733 T HA 0.776 5.131 4.350 0.009 0.000 0.290 733 T C 0.310 174.972 174.700 -0.062 0.000 1.066 733 T CA 0.134 62.205 62.100 -0.048 0.000 1.012 733 T CB 1.996 70.833 68.868 -0.051 0.000 1.184 733 T HN 1.056 nan 8.240 nan 0.000 0.522 734 S N -0.216 115.455 115.700 -0.048 0.000 2.576 734 S HA 0.277 4.752 4.470 0.009 0.000 0.276 734 S C 1.175 175.719 174.600 -0.094 0.000 1.339 734 S CA -0.676 57.490 58.200 -0.057 0.000 1.039 734 S CB 0.293 63.478 63.200 -0.025 0.000 0.902 734 S HN 0.567 nan 8.310 nan 0.000 0.516 735 V N 5.065 124.882 119.914 -0.161 0.000 2.379 735 V HA 0.037 4.162 4.120 0.009 0.000 0.243 735 V C 0.995 176.956 176.094 -0.221 0.000 1.035 735 V CA 0.999 63.126 62.300 -0.288 0.000 1.035 735 V CB -0.444 31.088 31.823 -0.484 0.000 0.673 735 V HN 0.739 nan 8.190 nan 0.000 0.457 736 L N 3.121 124.251 121.223 -0.156 0.000 2.652 736 L HA 0.103 4.449 4.340 0.009 0.000 0.284 736 L C 0.574 177.539 176.870 0.159 0.000 1.204 736 L CA 0.135 54.998 54.840 0.039 0.000 1.105 736 L CB -1.206 40.885 42.059 0.053 0.000 1.393 736 L HN 0.434 nan 8.230 nan 0.000 0.452 737 T N -1.035 113.700 114.554 0.302 0.000 2.940 737 T HA 0.415 4.770 4.350 0.009 0.000 0.288 737 T C -1.905 172.966 174.700 0.285 0.000 1.033 737 T CA -2.143 60.132 62.100 0.292 0.000 1.033 737 T CB 2.068 71.163 68.868 0.379 0.000 1.079 737 T HN 0.048 nan 8.240 nan 0.000 0.496 738 P HA -0.033 nan 4.420 nan 0.000 0.218 738 P C 0.805 178.232 177.300 0.212 0.000 1.146 738 P CA 0.799 64.008 63.100 0.182 0.000 0.813 738 P CB 0.010 31.809 31.700 0.164 0.000 0.778 739 W N -1.280 120.071 121.300 0.084 0.000 2.443 739 W HA -0.127 4.538 4.660 0.009 0.000 0.296 739 W C 2.394 178.929 176.519 0.025 0.000 1.202 739 W CA 0.641 58.021 57.345 0.059 0.000 1.312 739 W CB -0.867 28.599 29.460 0.010 0.000 1.120 739 W HN -0.116 nan 8.180 nan 0.000 0.536 740 Y N 1.894 122.312 120.300 0.197 0.000 2.207 740 Y HA -0.261 4.294 4.550 0.009 0.000 0.287 740 Y C 2.508 178.390 175.900 -0.030 0.000 1.156 740 Y CA 2.751 60.889 58.100 0.063 0.000 1.182 740 Y CB -0.611 37.982 38.460 0.222 0.000 0.979 740 Y HN -0.010 nan 8.280 nan 0.000 0.521 741 K N -0.084 120.309 120.400 -0.010 0.000 2.031 741 K HA -0.138 4.187 4.320 0.009 0.000 0.205 741 K C 1.401 177.878 176.600 -0.204 0.000 1.049 741 K CA 1.401 57.619 56.287 -0.116 0.000 0.939 741 K CB -0.219 32.297 32.500 0.027 0.000 0.717 741 K HN 0.237 nan 8.250 nan 0.000 0.438 742 N N 0.391 118.987 118.700 -0.173 0.000 2.575 742 N HA -0.091 4.654 4.740 0.009 0.000 0.192 742 N C 1.115 176.431 175.510 -0.324 0.000 1.200 742 N CA 0.485 53.409 53.050 -0.209 0.000 0.897 742 N CB -0.062 38.356 38.487 -0.114 0.000 0.990 742 N HN 0.308 nan 8.380 nan 0.000 0.449 743 C N -1.252 117.804 119.300 -0.408 0.000 2.553 743 C HA 0.313 4.778 4.460 0.009 0.000 0.447 743 C C 2.346 177.174 174.990 -0.270 0.000 1.351 743 C CA -0.357 58.461 59.018 -0.334 0.000 2.354 743 C CB -0.772 26.564 27.740 -0.674 0.000 2.905 743 C HN 0.243 nan 8.230 nan 0.000 0.554 744 I N 2.124 122.458 120.570 -0.394 0.000 2.335 744 I HA -0.139 4.036 4.170 0.009 0.000 0.251 744 I C 2.193 178.148 176.117 -0.270 0.000 1.129 744 I CA 1.996 63.081 61.300 -0.359 0.000 1.402 744 I CB -0.388 37.272 38.000 -0.567 0.000 1.069 744 I HN 0.434 nan 8.210 nan 0.000 0.424 745 E N -0.471 119.563 120.200 -0.277 0.000 2.216 745 E HA -0.111 4.244 4.350 0.009 0.000 0.192 745 E C 2.038 178.458 176.600 -0.300 0.000 0.988 745 E CA 0.228 56.487 56.400 -0.236 0.000 0.834 745 E CB 0.003 29.572 29.700 -0.218 0.000 0.772 745 E HN 0.331 nan 8.360 nan 0.000 0.479 746 R N 0.472 120.710 120.500 -0.436 0.000 2.148 746 R HA -0.082 4.263 4.340 0.009 0.000 0.227 746 R C 2.257 178.256 176.300 -0.502 0.000 1.103 746 R CA 0.524 56.234 56.100 -0.650 0.000 0.983 746 R CB -0.511 29.134 30.300 -1.092 0.000 0.874 746 R HN 0.201 nan 8.270 nan 0.000 0.451 747 L N 1.239 122.105 121.223 -0.594 0.000 2.095 747 L HA -0.060 4.285 4.340 0.009 0.000 0.204 747 L C 2.454 179.299 176.870 -0.042 0.000 1.080 747 L CA 1.705 56.140 54.840 -0.675 0.000 0.759 747 L CB -0.626 41.088 42.059 -0.575 0.000 0.914 747 L HN 0.134 nan 8.230 nan 0.000 0.439 748 Q N -0.730 119.071 119.800 0.002 0.000 2.124 748 Q HA -0.296 4.049 4.340 0.009 0.000 0.202 748 Q C 2.252 178.370 176.000 0.197 0.000 0.977 748 Q CA 1.978 57.874 55.803 0.156 0.000 0.850 748 Q CB -0.279 28.461 28.738 0.004 0.000 0.901 748 Q HN 0.742 nan 8.270 nan 0.000 0.429 749 Q N -0.176 119.655 119.800 0.052 0.000 2.170 749 Q HA -0.163 4.183 4.340 0.009 0.000 0.203 749 Q C 1.941 178.115 176.000 0.290 0.000 0.976 749 Q CA 1.167 57.013 55.803 0.072 0.000 0.858 749 Q CB 0.045 28.720 28.738 -0.106 0.000 0.907 749 Q HN 0.472 nan 8.270 nan 0.000 0.433 750 I N 0.226 120.987 120.570 0.319 0.000 2.226 750 I HA -0.246 3.929 4.170 0.009 0.000 0.245 750 I C 1.855 178.200 176.117 0.379 0.000 1.100 750 I CA 1.369 62.910 61.300 0.402 0.000 1.374 750 I CB -1.180 36.934 38.000 0.189 0.000 1.057 750 I HN 0.235 nan 8.210 nan 0.000 0.413 751 F N 0.852 120.975 119.950 0.288 0.000 2.113 751 F HA -0.155 4.377 4.527 0.009 0.000 0.297 751 F C 2.516 178.512 175.800 0.328 0.000 1.103 751 F CA 1.136 59.250 58.000 0.189 0.000 1.248 751 F CB -0.813 38.191 39.000 0.005 0.000 0.999 751 F HN -0.067 nan 8.300 nan 0.000 0.475 752 L N -0.493 120.998 121.223 0.446 0.000 1.994 752 L HA -0.237 4.108 4.340 0.009 0.000 0.208 752 L C 2.269 179.344 176.870 0.341 0.000 1.071 752 L CA 1.524 56.558 54.840 0.323 0.000 0.745 752 L CB -0.849 41.309 42.059 0.165 0.000 0.892 752 L HN 0.184 nan 8.230 nan 0.000 0.431 753 Q N -0.936 118.993 119.800 0.215 0.000 2.472 753 Q HA -0.048 4.297 4.340 0.009 0.000 0.208 753 Q C 0.127 175.896 176.000 -0.384 0.000 0.958 753 Q CA 0.594 56.358 55.803 -0.064 0.000 0.932 753 Q CB 0.237 28.882 28.738 -0.156 0.000 1.007 753 Q HN 0.625 nan 8.270 nan 0.000 0.508 754 H N -1.105 118.122 119.070 0.261 0.000 2.924 754 H HA 0.073 4.634 4.556 0.009 0.000 0.229 754 H C 0.838 176.206 175.328 0.067 0.000 1.345 754 H CA -0.102 56.034 56.048 0.146 0.000 1.044 754 H CB 0.285 30.261 29.762 0.357 0.000 2.221 754 H HN 0.366 nan 8.280 nan 0.000 0.574 755 H N 0.130 119.352 119.070 0.253 0.000 2.293 755 H HA -0.086 4.475 4.556 0.009 0.000 0.300 755 H C 1.289 176.738 175.328 0.202 0.000 1.082 755 H CA 0.813 57.062 56.048 0.335 0.000 1.308 755 H CB -0.054 29.890 29.762 0.304 0.000 1.375 755 H HN 0.306 nan 8.280 nan 0.000 0.495 756 Q N 0.625 120.266 119.800 -0.265 0.000 2.133 756 Q HA -0.129 4.217 4.340 0.009 0.000 0.208 756 Q C 2.673 178.607 176.000 -0.109 0.000 0.991 756 Q CA 2.180 57.912 55.803 -0.119 0.000 0.867 756 Q CB -0.057 28.558 28.738 -0.205 0.000 0.911 756 Q HN 0.584 nan 8.270 nan 0.000 0.417 757 I N -0.357 120.105 120.570 -0.180 0.000 2.339 757 I HA -0.174 4.001 4.170 0.009 0.000 0.245 757 I C 2.060 177.846 176.117 -0.553 0.000 1.096 757 I CA 0.706 61.803 61.300 -0.338 0.000 1.408 757 I CB -0.269 37.502 38.000 -0.382 0.000 1.092 757 I HN 0.125 nan 8.210 nan 0.000 0.423 758 I N 0.947 121.282 120.570 -0.391 0.000 2.567 758 I HA -0.247 3.928 4.170 0.009 0.000 0.257 758 I C 1.859 177.946 176.117 -0.050 0.000 1.184 758 I CA 1.193 62.316 61.300 -0.295 0.000 1.451 758 I CB -0.481 37.452 38.000 -0.112 0.000 1.089 758 I HN 0.346 nan 8.210 nan 0.000 0.441 759 Q N 0.632 120.493 119.800 0.103 0.000 2.491 759 Q HA -0.092 4.253 4.340 0.009 0.000 0.214 759 Q C 1.373 177.382 176.000 0.015 0.000 0.970 759 Q CA 0.434 56.357 55.803 0.201 0.000 0.960 759 Q CB 0.102 28.946 28.738 0.177 0.000 0.996 759 Q HN 0.650 nan 8.270 nan 0.000 0.524 760 Q N -1.419 118.258 119.800 -0.205 0.000 2.353 760 Q HA 0.046 4.391 4.340 0.009 0.000 0.240 760 Q C 0.382 176.368 176.000 -0.024 0.000 0.868 760 Q CA 0.249 55.933 55.803 -0.198 0.000 0.944 760 Q CB 0.677 29.200 28.738 -0.359 0.000 1.104 760 Q HN 0.519 nan 8.270 nan 0.000 0.531 761 Y N -0.586 119.786 120.300 0.121 0.000 2.524 761 Y HA 0.146 4.701 4.550 0.009 0.000 0.266 761 Y C 1.745 177.757 175.900 0.187 0.000 1.180 761 Y CA -0.879 57.302 58.100 0.135 0.000 1.244 761 Y CB 0.332 38.874 38.460 0.137 0.000 1.125 761 Y HN 0.069 nan 8.280 nan 0.000 0.524 762 M N -0.091 119.698 119.600 0.315 0.000 2.089 762 M HA -0.251 4.234 4.480 0.009 0.000 0.257 762 M C 2.094 178.564 176.300 0.283 0.000 1.071 762 M CA 1.528 57.035 55.300 0.345 0.000 1.096 762 M CB -1.114 31.653 32.600 0.278 0.000 1.330 762 M HN 0.253 nan 8.290 nan 0.000 0.403 763 V N -0.052 119.992 119.914 0.217 0.000 2.233 763 V HA -0.286 3.839 4.120 0.009 0.000 0.247 763 V C 2.442 178.631 176.094 0.158 0.000 1.050 763 V CA 2.417 64.818 62.300 0.168 0.000 1.010 763 V CB -1.442 30.460 31.823 0.132 0.000 0.637 763 V HN 0.473 nan 8.190 nan 0.000 0.444 764 T N 0.856 115.509 114.554 0.164 0.000 2.597 764 T HA -0.242 4.113 4.350 0.009 0.000 0.267 764 T C 1.878 176.655 174.700 0.129 0.000 1.053 764 T CA 2.156 64.334 62.100 0.130 0.000 1.165 764 T CB -0.474 68.466 68.868 0.120 0.000 0.863 764 T HN 0.299 nan 8.240 nan 0.000 0.427 765 L N 0.585 121.916 121.223 0.181 0.000 2.012 765 L HA -0.120 4.225 4.340 0.009 0.000 0.210 765 L C 2.785 179.702 176.870 0.078 0.000 1.073 765 L CA 1.525 56.449 54.840 0.139 0.000 0.748 765 L CB -0.623 41.523 42.059 0.144 0.000 0.891 765 L HN 0.317 nan 8.230 nan 0.000 0.431 766 E N -0.072 120.210 120.200 0.136 0.000 2.265 766 E HA -0.176 4.179 4.350 0.009 0.000 0.196 766 E C 1.494 178.159 176.600 0.107 0.000 0.996 766 E CA 0.812 57.305 56.400 0.155 0.000 0.832 766 E CB 0.019 29.854 29.700 0.224 0.000 0.756 766 E HN 0.485 nan 8.360 nan 0.000 0.491 767 N N -0.769 117.984 118.700 0.087 0.000 2.368 767 N HA 0.090 4.835 4.740 0.009 0.000 0.178 767 N C 1.432 176.963 175.510 0.036 0.000 1.076 767 N CA 0.411 53.498 53.050 0.063 0.000 0.889 767 N CB 0.629 39.154 38.487 0.063 0.000 1.040 767 N HN 0.132 nan 8.380 nan 0.000 0.463 768 L N -0.969 120.269 121.223 0.025 0.000 2.614 768 L HA 0.227 4.572 4.340 0.009 0.000 0.185 768 L C 1.489 178.327 176.870 -0.053 0.000 1.098 768 L CA 0.037 54.875 54.840 -0.005 0.000 0.852 768 L CB -0.039 42.022 42.059 0.004 0.000 1.213 768 L HN -0.051 nan 8.230 nan 0.000 0.491 769 L N -0.138 121.035 121.223 -0.084 0.000 2.051 769 L HA 0.048 4.394 4.340 0.009 0.000 0.202 769 L C 0.616 177.240 176.870 -0.410 0.000 1.097 769 L CA 1.607 56.282 54.840 -0.275 0.000 0.762 769 L CB -0.713 41.160 42.059 -0.309 0.000 0.913 769 L HN 0.054 nan 8.230 nan 0.000 0.447 770 F N 1.165 120.985 119.950 -0.217 0.000 2.451 770 F HA 0.226 4.758 4.527 0.009 0.000 0.356 770 F C 0.831 176.571 175.800 -0.100 0.000 1.178 770 F CA -0.631 57.230 58.000 -0.231 0.000 1.210 770 F CB -0.058 38.585 39.000 -0.594 0.000 1.504 770 F HN 0.073 nan 8.300 nan 0.000 0.598 771 T N -1.790 112.806 114.554 0.071 0.000 2.937 771 T HA 0.622 4.977 4.350 0.009 0.000 0.283 771 T C 1.212 175.967 174.700 0.091 0.000 1.012 771 T CA -0.473 61.675 62.100 0.081 0.000 0.997 771 T CB 1.750 70.644 68.868 0.042 0.000 1.136 771 T HN 0.355 nan 8.240 nan 0.000 0.551 772 A N 0.408 123.275 122.820 0.079 0.000 2.178 772 A HA -0.023 4.302 4.320 0.009 0.000 0.218 772 A C 1.808 179.424 177.584 0.053 0.000 1.157 772 A CA 0.915 52.993 52.037 0.069 0.000 0.689 772 A CB -0.681 18.352 19.000 0.056 0.000 0.787 772 A HN 0.860 nan 8.150 nan 0.000 0.465 773 E N -0.629 119.597 120.200 0.045 0.000 2.403 773 E HA 0.196 4.551 4.350 0.009 0.000 0.188 773 E C -0.176 176.445 176.600 0.036 0.000 1.056 773 E CA -0.359 56.061 56.400 0.034 0.000 0.892 773 E CB -0.396 29.319 29.700 0.024 0.000 1.049 773 E HN 0.403 nan 8.360 nan 0.000 0.465 774 L N 2.115 123.369 121.223 0.051 0.000 2.343 774 L HA 0.263 4.608 4.340 0.009 0.000 0.275 774 L C 0.033 176.952 176.870 0.083 0.000 1.056 774 L CA -0.557 54.319 54.840 0.061 0.000 0.804 774 L CB 1.407 43.507 42.059 0.068 0.000 1.203 774 L HN -0.140 nan 8.230 nan 0.000 0.440 775 D N 5.168 125.626 120.400 0.097 0.000 2.586 775 D HA -0.052 4.593 4.640 0.009 0.000 0.234 775 D C -1.748 174.611 176.300 0.100 0.000 1.132 775 D CA -0.774 53.290 54.000 0.107 0.000 0.860 775 D CB 1.520 42.420 40.800 0.165 0.000 1.159 775 D HN 0.388 nan 8.370 nan 0.000 0.490 776 P HA -0.170 nan 4.420 nan 0.000 0.216 776 P C 0.684 177.968 177.300 -0.027 0.000 1.154 776 P CA 1.565 64.629 63.100 -0.061 0.000 0.865 776 P CB 0.010 31.586 31.700 -0.207 0.000 0.789 777 H N -1.880 117.278 119.070 0.146 0.000 2.457 777 H HA 0.008 4.569 4.556 0.009 0.000 0.294 777 H C 1.801 177.257 175.328 0.213 0.000 1.064 777 H CA 0.785 56.949 56.048 0.193 0.000 1.330 777 H CB -0.474 29.443 29.762 0.259 0.000 1.395 777 H HN 0.176 nan 8.280 nan 0.000 0.541 778 I N -0.511 120.250 120.570 0.318 0.000 3.265 778 I HA -0.089 4.087 4.170 0.009 0.000 0.282 778 I C 1.949 178.255 176.117 0.314 0.000 1.207 778 I CA 0.346 61.834 61.300 0.313 0.000 1.449 778 I CB 0.198 38.388 38.000 0.317 0.000 1.121 778 I HN 0.217 nan 8.210 nan 0.000 0.442 779 L N 0.944 122.320 121.223 0.255 0.000 2.156 779 L HA -0.060 4.285 4.340 0.009 0.000 0.208 779 L C 2.733 179.697 176.870 0.156 0.000 1.095 779 L CA 0.992 55.987 54.840 0.259 0.000 0.770 779 L CB -0.123 42.050 42.059 0.190 0.000 0.914 779 L HN 0.226 nan 8.230 nan 0.000 0.439 780 A N -0.658 122.222 122.820 0.101 0.000 1.902 780 A HA -0.161 4.164 4.320 0.009 0.000 0.217 780 A C 2.130 179.699 177.584 -0.026 0.000 1.181 780 A CA 1.688 53.746 52.037 0.035 0.000 0.623 780 A CB -0.801 18.227 19.000 0.047 0.000 0.818 780 A HN 0.263 nan 8.150 nan 0.000 0.443 781 V N -1.290 118.616 119.914 -0.013 0.000 2.568 781 V HA -0.233 3.892 4.120 0.009 0.000 0.253 781 V C 2.206 178.070 176.094 -0.384 0.000 1.072 781 V CA 2.079 64.302 62.300 -0.128 0.000 1.084 781 V CB -0.898 30.894 31.823 -0.053 0.000 0.676 781 V HN 0.653 nan 8.190 nan 0.000 0.469 782 F N 0.674 120.283 119.950 -0.568 0.000 2.270 782 F HA -0.019 4.513 4.527 0.009 0.000 0.295 782 F C 2.373 177.938 175.800 -0.392 0.000 1.087 782 F CA 1.296 58.778 58.000 -0.863 0.000 1.365 782 F CB -0.158 38.208 39.000 -1.056 0.000 1.056 782 F HN 0.109 nan 8.300 nan 0.000 0.506 783 Q N 0.004 119.629 119.800 -0.292 0.000 2.124 783 Q HA -0.230 4.116 4.340 0.009 0.000 0.202 783 Q C 2.089 177.929 176.000 -0.267 0.000 0.977 783 Q CA 1.793 57.434 55.803 -0.271 0.000 0.850 783 Q CB -0.299 28.379 28.738 -0.101 0.000 0.901 783 Q HN 0.565 nan 8.270 nan 0.000 0.429 784 Q N -0.318 119.350 119.800 -0.219 0.000 2.226 784 Q HA -0.178 4.168 4.340 0.009 0.000 0.204 784 Q C 1.747 177.634 176.000 -0.189 0.000 0.975 784 Q CA 1.226 56.933 55.803 -0.159 0.000 0.866 784 Q CB -0.161 28.505 28.738 -0.119 0.000 0.915 784 Q HN 0.381 nan 8.270 nan 0.000 0.440 785 F N 0.050 119.710 119.950 -0.484 0.000 2.163 785 F HA -0.147 4.385 4.527 0.009 0.000 0.297 785 F C 1.890 177.459 175.800 -0.386 0.000 1.094 785 F CA 0.825 58.546 58.000 -0.465 0.000 1.290 785 F CB -0.387 38.167 39.000 -0.743 0.000 1.017 785 F HN -0.006 nan 8.300 nan 0.000 0.483 786 C N 1.107 119.990 119.300 -0.694 0.000 2.419 786 C HA -0.038 4.427 4.460 0.009 0.000 0.283 786 C C 3.116 177.832 174.990 -0.457 0.000 1.373 786 C CA 1.023 59.648 59.018 -0.655 0.000 1.781 786 C CB -2.077 25.392 27.740 -0.451 0.000 1.886 786 C HN 0.649 nan 8.230 nan 0.000 0.520 787 A N 0.287 122.910 122.820 -0.329 0.000 2.014 787 A HA 0.022 4.347 4.320 0.009 0.000 0.218 787 A C 2.071 179.480 177.584 -0.291 0.000 1.163 787 A CA 0.927 52.861 52.037 -0.172 0.000 0.652 787 A CB -0.467 18.589 19.000 0.093 0.000 0.808 787 A HN 0.610 nan 8.150 nan 0.000 0.449 788 L N -1.370 119.626 121.223 -0.379 0.000 2.081 788 L HA -0.194 4.151 4.340 0.009 0.000 0.212 788 L C 1.236 177.902 176.870 -0.339 0.000 1.080 788 L CA 1.342 55.951 54.840 -0.384 0.000 0.754 788 L CB -0.330 41.495 42.059 -0.390 0.000 0.893 788 L HN 0.499 nan 8.230 nan 0.000 0.433 789 Q N -1.234 118.369 119.800 -0.328 0.000 2.563 789 Q HA 0.551 4.896 4.340 0.009 0.000 0.367 789 Q C -0.845 175.045 176.000 -0.184 0.000 0.845 789 Q CA -0.168 55.504 55.803 -0.218 0.000 1.077 789 Q CB 1.555 30.192 28.738 -0.168 0.000 1.409 789 Q HN 0.348 nan 8.270 nan 0.000 0.396 790 A N 0.000 122.705 122.820 -0.192 0.000 2.254 790 A HA 0.000 4.325 4.320 0.009 0.000 0.244 790 A CA 0.000 51.946 52.037 -0.151 0.000 0.836 790 A CB 0.000 18.909 19.000 -0.152 0.000 0.831 790 A HN 0.000 nan 8.150 nan 0.000 0.486