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 2w9m_1_B DATA FIRST_RESID 6 DATA SEQUENCE DAPSRHRLVH ALERTADLLD ILGGEDFKSR AYRSAARSLE ELNEETPELL DATA SEQUENCE AREFTGIPKV GKGIAAELSD FARSGTFAPL EAAAGQLPPG LLDLLGVRGL DATA SEQUENCE GPKKIRSLWL AGIDSLERLR EAAESGELAG LKGFGAKSAA TILENVVFLF DATA SEQUENCE EARQRQSLRA GLAVAEELAG ALTDLSPAPA GDVRRGLETV RAAELTVTGT DATA SEQUENCE PDDVLARLPE LTVQGDGVLS GDYEGVPVEI ACAPAEARGA LDLLRSGEHF DATA SEQUENCE AGQVQAAAQA RGFTLTAGGL SRGDEVLPTP TEAVVFHALD LPFRPAEYRE DATA SEQUENCE PEHDDLWQTL PDPAELVTVG DLRGMIHTHS TWSDGGASIR EMAEATLTLG DATA SEQUENCE HEFLGTADHS RAAYYANGLT IERLREQLKE IRELQRAGLP IVAGSEVDIL DATA SEQUENCE DDGSLDFPDD VLGELDYVVV SVHSNFTLDA ARQTERLIRA VSHPLVTVLG DATA SEQUENCE HATGRLLLRR PGYALDLDAV LGACEANGTV VEINANAARL DLDWREALRW DATA SEQUENCE RERLKFAINT DAHVPGGLRD ARYGVMQARK AGLTPAHVVN SLGRAEFLDF DATA SEQUENCE VARQRAARG 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 6 D HA 0.000 nan 4.640 nan 0.000 0.175 6 D C 0.000 176.283 176.300 -0.028 0.000 2.045 6 D CA 0.000 53.991 54.000 -0.016 0.000 0.868 6 D CB 0.000 40.791 40.800 -0.015 0.000 0.688 7 A N 2.193 124.992 122.820 -0.035 0.000 2.547 7 A HA 0.509 4.829 4.320 0.000 0.000 0.233 7 A C -1.949 175.568 177.584 -0.112 0.000 1.067 7 A CA -0.535 51.462 52.037 -0.065 0.000 0.763 7 A CB -0.394 18.577 19.000 -0.048 0.000 1.007 7 A HN 0.414 nan 8.150 nan 0.000 0.506 8 P HA 0.159 nan 4.420 nan 0.000 0.266 8 P C 0.146 177.332 177.300 -0.190 0.000 1.195 8 P CA 0.058 62.987 63.100 -0.286 0.000 0.768 8 P CB 0.584 31.839 31.700 -0.741 0.000 0.838 9 S N 2.568 118.203 115.700 -0.108 0.000 2.624 9 S HA 0.143 4.613 4.470 0.000 0.000 0.263 9 S C 1.486 176.077 174.600 -0.015 0.000 1.287 9 S CA -0.630 57.545 58.200 -0.041 0.000 0.990 9 S CB 0.791 63.988 63.200 -0.004 0.000 0.950 9 S HN 0.532 nan 8.310 nan 0.000 0.561 10 R N 1.055 121.571 120.500 0.026 0.000 2.117 10 R HA -0.229 4.111 4.340 0.000 0.000 0.243 10 R C 1.616 177.953 176.300 0.062 0.000 1.143 10 R CA 2.205 58.333 56.100 0.046 0.000 0.968 10 R CB -1.845 28.480 30.300 0.041 0.000 0.863 10 R HN 0.919 nan 8.270 nan 0.000 0.444 11 H N 0.448 119.531 119.070 0.020 0.000 2.457 11 H HA 0.082 4.638 4.556 0.000 0.000 0.294 11 H C 1.932 177.312 175.328 0.087 0.000 1.064 11 H CA 1.031 57.121 56.048 0.069 0.000 1.330 11 H CB 0.265 30.044 29.762 0.028 0.000 1.395 11 H HN 0.105 nan 8.280 nan 0.000 0.541 12 R N 0.608 121.191 120.500 0.139 0.000 2.075 12 R HA -0.059 4.281 4.340 0.000 0.000 0.232 12 R C 2.648 179.026 176.300 0.130 0.000 1.126 12 R CA 0.519 56.674 56.100 0.092 0.000 0.963 12 R CB -0.501 29.781 30.300 -0.030 0.000 0.858 12 R HN 0.354 nan 8.270 nan 0.000 0.435 13 L N 0.034 121.279 121.223 0.037 0.000 2.046 13 L HA -0.153 4.187 4.340 0.000 0.000 0.208 13 L C 2.527 179.391 176.870 -0.010 0.000 1.077 13 L CA 1.000 55.863 54.840 0.039 0.000 0.747 13 L CB -0.703 41.361 42.059 0.009 0.000 0.896 13 L HN -0.058 nan 8.230 nan 0.000 0.432 14 V N -0.631 119.285 119.914 0.003 0.000 2.295 14 V HA -0.308 3.812 4.120 0.000 0.000 0.246 14 V C 2.511 178.570 176.094 -0.060 0.000 1.049 14 V CA 1.749 64.016 62.300 -0.054 0.000 1.024 14 V CB -0.764 30.980 31.823 -0.132 0.000 0.648 14 V HN 0.470 nan 8.190 nan 0.000 0.447 15 H N -0.429 118.606 119.070 -0.058 0.000 2.423 15 H HA -0.055 4.501 4.556 0.000 0.000 0.297 15 H C 2.318 177.609 175.328 -0.061 0.000 1.075 15 H CA 1.432 57.463 56.048 -0.028 0.000 1.342 15 H CB 0.055 29.838 29.762 0.036 0.000 1.395 15 H HN 0.479 nan 8.280 nan 0.000 0.530 16 A N 1.105 123.922 122.820 -0.005 0.000 1.898 16 A HA -0.094 4.226 4.320 0.000 0.000 0.216 16 A C 2.597 180.041 177.584 -0.234 0.000 1.181 16 A CA 0.779 52.682 52.037 -0.224 0.000 0.620 16 A CB -0.709 17.937 19.000 -0.590 0.000 0.819 16 A HN 0.233 nan 8.150 nan 0.000 0.442 17 L N -0.754 120.355 121.223 -0.189 0.000 2.027 17 L HA -0.200 4.140 4.340 0.000 0.000 0.206 17 L C 2.603 179.513 176.870 0.068 0.000 1.074 17 L CA 1.648 56.524 54.840 0.060 0.000 0.745 17 L CB -0.717 41.384 42.059 0.071 0.000 0.898 17 L HN 0.453 nan 8.230 nan 0.000 0.433 18 E N 0.085 120.271 120.200 -0.022 0.000 2.038 18 E HA -0.275 4.075 4.350 0.000 0.000 0.195 18 E C 2.342 178.921 176.600 -0.036 0.000 1.000 18 E CA 1.326 57.698 56.400 -0.048 0.000 0.803 18 E CB -0.133 29.483 29.700 -0.140 0.000 0.750 18 E HN 0.285 nan 8.360 nan 0.000 0.448 19 R N 0.134 120.614 120.500 -0.033 0.000 2.120 19 R HA -0.113 4.227 4.340 0.000 0.000 0.234 19 R C 2.235 178.503 176.300 -0.054 0.000 1.123 19 R CA 1.606 57.687 56.100 -0.032 0.000 0.975 19 R CB -0.063 30.228 30.300 -0.014 0.000 0.866 19 R HN 0.135 nan 8.270 nan 0.000 0.446 20 T N 0.060 114.582 114.554 -0.053 0.000 2.777 20 T HA -0.083 4.267 4.350 0.000 0.000 0.266 20 T C 1.780 176.385 174.700 -0.158 0.000 1.040 20 T CA 1.227 63.249 62.100 -0.131 0.000 1.141 20 T CB -0.212 68.546 68.868 -0.182 0.000 0.868 20 T HN 0.395 nan 8.240 nan 0.000 0.444 21 A N 2.106 124.873 122.820 -0.088 0.000 1.940 21 A HA -0.173 4.147 4.320 0.000 0.000 0.219 21 A C 2.086 179.653 177.584 -0.028 0.000 1.176 21 A CA 1.735 53.755 52.037 -0.030 0.000 0.631 21 A CB -0.636 18.388 19.000 0.040 0.000 0.814 21 A HN 0.359 nan 8.150 nan 0.000 0.446 22 D N -0.024 120.354 120.400 -0.036 0.000 2.144 22 D HA -0.112 4.528 4.640 0.000 0.000 0.199 22 D C 1.920 178.194 176.300 -0.043 0.000 0.984 22 D CA 0.901 54.880 54.000 -0.036 0.000 0.834 22 D CB -0.316 40.461 40.800 -0.039 0.000 0.955 22 D HN 0.448 nan 8.370 nan 0.000 0.465 23 L N 0.273 121.464 121.223 -0.055 0.000 2.093 23 L HA -0.115 4.225 4.340 0.000 0.000 0.208 23 L C 2.462 179.325 176.870 -0.012 0.000 1.085 23 L CA 0.571 55.380 54.840 -0.051 0.000 0.755 23 L CB -0.178 41.839 42.059 -0.069 0.000 0.904 23 L HN 0.034 nan 8.230 nan 0.000 0.435 24 L N -0.813 120.412 121.223 0.003 0.000 2.141 24 L HA -0.193 4.147 4.340 0.000 0.000 0.209 24 L C 1.932 178.805 176.870 0.004 0.000 1.094 24 L CA 0.785 55.639 54.840 0.024 0.000 0.763 24 L CB -0.520 41.560 42.059 0.035 0.000 0.908 24 L HN 0.220 nan 8.230 nan 0.000 0.437 25 D N 0.063 120.460 120.400 -0.006 0.000 2.264 25 D HA -0.101 4.539 4.640 0.000 0.000 0.208 25 D C 2.248 178.536 176.300 -0.022 0.000 0.966 25 D CA 0.973 54.968 54.000 -0.008 0.000 0.864 25 D CB 0.119 40.913 40.800 -0.010 0.000 0.933 25 D HN 0.303 nan 8.370 nan 0.000 0.499 26 I N -0.136 120.410 120.570 -0.038 0.000 2.233 26 I HA -0.162 4.008 4.170 0.000 0.000 0.243 26 I C 2.106 178.182 176.117 -0.068 0.000 1.093 26 I CA 0.798 62.062 61.300 -0.060 0.000 1.380 26 I CB 0.095 38.035 38.000 -0.099 0.000 1.067 26 I HN -0.006 nan 8.210 nan 0.000 0.413 27 L N -0.881 120.296 121.223 -0.077 0.000 2.298 27 L HA 0.145 4.485 4.340 0.000 0.000 0.209 27 L C 1.742 178.579 176.870 -0.055 0.000 1.084 27 L CA 0.952 55.741 54.840 -0.084 0.000 0.816 27 L CB 0.119 42.110 42.059 -0.114 0.000 0.967 27 L HN 0.318 nan 8.230 nan 0.000 0.460 28 G N -2.779 105.988 108.800 -0.055 0.000 2.861 28 G HA2 0.376 4.336 3.960 0.000 0.000 0.140 28 G HA3 0.376 4.336 3.960 0.000 0.000 0.140 28 G C 0.883 175.748 174.900 -0.058 0.000 1.440 28 G CA 0.695 45.761 45.100 -0.056 0.000 0.907 28 G HN 0.185 nan 8.290 nan 0.000 0.686 29 G N -0.012 108.769 108.800 -0.030 0.000 2.336 29 G HA2 -0.224 3.736 3.960 0.000 0.000 0.233 29 G HA3 -0.224 3.736 3.960 0.000 0.000 0.233 29 G C 0.248 175.156 174.900 0.012 0.000 1.053 29 G CA 0.576 45.663 45.100 -0.022 0.000 0.625 29 G HN 0.719 nan 8.290 nan 0.000 0.511 30 E N 1.489 121.706 120.200 0.029 0.000 2.105 30 E HA 0.444 4.794 4.350 0.000 0.000 0.285 30 E C -0.426 176.233 176.600 0.099 0.000 1.055 30 E CA -0.348 56.105 56.400 0.090 0.000 0.843 30 E CB 1.444 31.218 29.700 0.123 0.000 1.067 30 E HN 0.250 nan 8.360 nan 0.000 0.398 31 D N 1.292 121.764 120.400 0.120 0.000 2.398 31 D HA 0.086 4.726 4.640 0.000 0.000 0.210 31 D C 0.714 177.094 176.300 0.133 0.000 1.094 31 D CA -0.135 53.925 54.000 0.100 0.000 0.839 31 D CB 0.107 40.949 40.800 0.070 0.000 0.963 31 D HN 0.368 nan 8.370 nan 0.000 0.506 32 F N 1.298 121.278 119.950 0.050 0.000 2.243 32 F HA 0.108 4.635 4.527 0.000 0.000 0.287 32 F C 1.937 177.789 175.800 0.087 0.000 1.067 32 F CA 0.946 58.980 58.000 0.056 0.000 1.304 32 F CB 0.345 39.375 39.000 0.049 0.000 1.087 32 F HN -0.261 nan 8.300 nan 0.000 0.513 33 K N 0.152 120.800 120.400 0.413 0.000 2.025 33 K HA -0.144 4.176 4.320 0.000 0.000 0.207 33 K C 2.297 179.089 176.600 0.320 0.000 1.049 33 K CA 1.636 58.155 56.287 0.388 0.000 0.933 33 K CB -0.609 32.114 32.500 0.372 0.000 0.714 33 K HN 0.370 nan 8.250 nan 0.000 0.438 34 S N 1.895 117.712 115.700 0.194 0.000 2.382 34 S HA -0.217 4.253 4.470 0.000 0.000 0.228 34 S C 2.210 176.871 174.600 0.101 0.000 1.027 34 S CA 1.164 59.444 58.200 0.134 0.000 0.991 34 S CB -0.311 62.930 63.200 0.069 0.000 0.823 34 S HN 0.296 nan 8.310 nan 0.000 0.469 35 R N 1.753 122.274 120.500 0.035 0.000 2.073 35 R HA -0.024 4.316 4.340 0.000 0.000 0.234 35 R C 2.377 178.635 176.300 -0.071 0.000 1.134 35 R CA 1.603 57.675 56.100 -0.046 0.000 0.952 35 R CB -1.094 29.128 30.300 -0.129 0.000 0.850 35 R HN 0.509 nan 8.270 nan 0.000 0.433 36 A N 0.131 122.896 122.820 -0.092 0.000 1.898 36 A HA -0.139 4.181 4.320 0.000 0.000 0.216 36 A C 1.959 179.504 177.584 -0.067 0.000 1.181 36 A CA 1.043 53.007 52.037 -0.121 0.000 0.620 36 A CB -0.712 18.215 19.000 -0.123 0.000 0.819 36 A HN 0.488 nan 8.150 nan 0.000 0.442 37 Y N -0.793 119.504 120.300 -0.005 0.000 2.184 37 Y HA -0.076 4.475 4.550 0.000 0.000 0.290 37 Y C 2.643 178.537 175.900 -0.010 0.000 1.129 37 Y CA 1.844 59.956 58.100 0.020 0.000 1.144 37 Y CB -0.194 38.300 38.460 0.056 0.000 0.995 37 Y HN 0.178 nan 8.280 nan 0.000 0.513 38 R N -0.169 120.412 120.500 0.135 0.000 2.152 38 R HA -0.140 4.200 4.340 0.000 0.000 0.232 38 R C 2.386 178.685 176.300 -0.001 0.000 1.117 38 R CA 1.352 57.480 56.100 0.046 0.000 0.981 38 R CB -0.201 30.112 30.300 0.022 0.000 0.870 38 R HN 0.383 nan 8.270 nan 0.000 0.451 39 S N -0.951 114.739 115.700 -0.018 0.000 2.446 39 S HA 0.064 4.534 4.470 0.000 0.000 0.225 39 S C 1.962 176.536 174.600 -0.044 0.000 1.016 39 S CA 0.512 58.687 58.200 -0.042 0.000 0.943 39 S CB 0.383 63.544 63.200 -0.065 0.000 0.786 39 S HN 0.320 nan 8.310 nan 0.000 0.508 40 A N 1.436 124.227 122.820 -0.049 0.000 2.014 40 A HA 0.520 4.840 4.320 0.000 0.000 0.218 40 A C 2.413 179.980 177.584 -0.028 0.000 1.163 40 A CA 1.206 53.213 52.037 -0.050 0.000 0.652 40 A CB -1.165 17.777 19.000 -0.095 0.000 0.808 40 A HN 0.826 nan 8.150 nan 0.000 0.449 41 A N 0.842 123.648 122.820 -0.023 0.000 1.930 41 A HA -0.139 4.181 4.320 0.000 0.000 0.217 41 A C 2.160 179.714 177.584 -0.051 0.000 1.175 41 A CA 1.458 53.473 52.037 -0.037 0.000 0.627 41 A CB -0.388 18.587 19.000 -0.042 0.000 0.815 41 A HN 0.574 nan 8.150 nan 0.000 0.443 42 R N -0.367 120.106 120.500 -0.045 0.000 2.310 42 R HA 0.190 4.530 4.340 0.000 0.000 0.202 42 R C 0.994 177.273 176.300 -0.034 0.000 0.933 42 R CA 1.202 57.275 56.100 -0.046 0.000 1.054 42 R CB -0.521 29.753 30.300 -0.044 0.000 0.985 42 R HN 0.311 nan 8.270 nan 0.000 0.489 43 S N 1.203 116.887 115.700 -0.025 0.000 2.404 43 S HA 0.191 4.661 4.470 0.000 0.000 0.223 43 S C 1.827 176.425 174.600 -0.004 0.000 1.040 43 S CA 0.296 58.488 58.200 -0.014 0.000 0.957 43 S CB 0.053 63.249 63.200 -0.007 0.000 0.826 43 S HN 0.248 nan 8.310 nan 0.000 0.491 44 L N 1.365 122.589 121.223 0.001 0.000 2.478 44 L HA 0.048 4.388 4.340 0.000 0.000 0.223 44 L C 2.331 179.189 176.870 -0.021 0.000 1.140 44 L CA 0.700 55.547 54.840 0.011 0.000 0.842 44 L CB -0.588 41.493 42.059 0.036 0.000 0.953 44 L HN 0.252 nan 8.230 nan 0.000 0.452 45 E N 1.781 121.957 120.200 -0.040 0.000 2.023 45 E HA -0.205 4.145 4.350 0.000 0.000 0.196 45 E C 0.509 177.088 176.600 -0.035 0.000 1.003 45 E CA 1.252 57.619 56.400 -0.056 0.000 0.809 45 E CB -0.022 29.645 29.700 -0.056 0.000 0.755 45 E HN 0.300 nan 8.360 nan 0.000 0.449 46 E N 0.225 120.410 120.200 -0.025 0.000 1.858 46 E HA 0.139 4.489 4.350 0.000 0.000 0.278 46 E C -0.882 175.710 176.600 -0.014 0.000 1.172 46 E CA 0.070 56.459 56.400 -0.017 0.000 1.127 46 E CB -0.484 29.206 29.700 -0.016 0.000 1.084 46 E HN 0.213 nan 8.360 nan 0.000 0.455 47 L N -0.169 121.047 121.223 -0.013 0.000 2.313 47 L HA 0.523 4.863 4.340 0.000 0.000 0.273 47 L C 0.635 177.498 176.870 -0.011 0.000 1.028 47 L CA -0.646 54.187 54.840 -0.011 0.000 0.871 47 L CB 1.202 43.257 42.059 -0.006 0.000 1.242 47 L HN -0.013 nan 8.230 nan 0.000 0.434 48 N N 2.403 121.093 118.700 -0.017 0.000 2.080 48 N HA -0.113 4.627 4.740 0.000 0.000 0.189 48 N C 0.313 175.809 175.510 -0.024 0.000 1.036 48 N CA 1.424 54.463 53.050 -0.018 0.000 0.846 48 N CB 0.189 38.663 38.487 -0.022 0.000 1.015 48 N HN 0.823 nan 8.380 nan 0.000 0.423 49 E N -0.319 119.860 120.200 -0.035 0.000 2.345 49 E HA 0.166 4.516 4.350 0.000 0.000 0.259 49 E C -0.504 176.068 176.600 -0.047 0.000 1.117 49 E CA -0.351 56.019 56.400 -0.051 0.000 0.913 49 E CB 1.025 30.677 29.700 -0.080 0.000 1.057 49 E HN 0.241 nan 8.360 nan 0.000 0.432 50 E N -0.236 119.932 120.200 -0.054 0.000 2.281 50 E HA 0.178 4.528 4.350 0.000 0.000 0.262 50 E C 0.298 176.856 176.600 -0.069 0.000 0.933 50 E CA -0.389 55.985 56.400 -0.043 0.000 0.809 50 E CB 1.277 30.960 29.700 -0.029 0.000 1.242 50 E HN 0.349 nan 8.360 nan 0.000 0.418 51 T N 2.291 116.820 114.554 -0.042 0.000 2.594 51 T HA -0.180 4.171 4.350 0.000 0.000 0.266 51 T C -1.291 173.358 174.700 -0.085 0.000 1.070 51 T CA 2.418 64.497 62.100 -0.036 0.000 1.166 51 T CB -1.216 67.651 68.868 -0.000 0.000 0.862 51 T HN 0.499 nan 8.240 nan 0.000 0.436 52 P HA -0.057 nan 4.420 nan 0.000 0.215 52 P C 1.504 178.746 177.300 -0.096 0.000 1.153 52 P CA 1.130 64.194 63.100 -0.060 0.000 0.853 52 P CB -0.070 31.605 31.700 -0.042 0.000 0.788 53 E N -0.597 119.537 120.200 -0.110 0.000 2.077 53 E HA -0.132 4.218 4.350 0.000 0.000 0.193 53 E C 2.019 178.493 176.600 -0.210 0.000 0.989 53 E CA 0.984 57.308 56.400 -0.127 0.000 0.800 53 E CB -0.545 29.092 29.700 -0.106 0.000 0.746 53 E HN 0.255 nan 8.360 nan 0.000 0.452 54 L N 0.786 121.809 121.223 -0.335 0.000 2.093 54 L HA -0.140 4.200 4.340 0.000 0.000 0.208 54 L C 2.612 179.033 176.870 -0.749 0.000 1.085 54 L CA 0.567 55.010 54.840 -0.661 0.000 0.755 54 L CB -0.362 41.085 42.059 -1.021 0.000 0.904 54 L HN 0.211 nan 8.230 nan 0.000 0.435 55 L N 0.046 120.999 121.223 -0.451 0.000 2.083 55 L HA -0.214 4.126 4.340 0.000 0.000 0.209 55 L C 2.755 179.580 176.870 -0.074 0.000 1.083 55 L CA 1.368 56.133 54.840 -0.124 0.000 0.752 55 L CB -0.311 41.762 42.059 0.023 0.000 0.899 55 L HN 0.276 nan 8.230 nan 0.000 0.433 56 A N -0.409 122.350 122.820 -0.103 0.000 1.933 56 A HA -0.241 4.079 4.320 0.000 0.000 0.218 56 A C 2.351 179.899 177.584 -0.059 0.000 1.175 56 A CA 1.413 53.413 52.037 -0.061 0.000 0.628 56 A CB -0.525 18.438 19.000 -0.062 0.000 0.814 56 A HN 0.389 nan 8.150 nan 0.000 0.444 57 R N -0.400 120.036 120.500 -0.106 0.000 2.313 57 R HA 0.003 4.343 4.340 0.000 0.000 0.199 57 R C -0.199 176.080 176.300 -0.035 0.000 0.958 57 R CA 0.710 56.763 56.100 -0.079 0.000 1.047 57 R CB -0.213 30.020 30.300 -0.113 0.000 0.955 57 R HN 0.559 nan 8.270 nan 0.000 0.481 58 E N -0.821 119.367 120.200 -0.019 0.000 2.403 58 E HA -0.236 4.114 4.350 0.000 0.000 0.241 58 E C -0.746 176.016 176.600 0.270 0.000 1.201 58 E CA 0.744 57.228 56.400 0.141 0.000 0.721 58 E CB -1.420 28.352 29.700 0.120 0.000 1.245 58 E HN 0.485 nan 8.360 nan 0.000 0.392 59 F N -3.614 116.344 119.950 0.013 0.000 3.034 59 F HA -0.361 4.166 4.527 0.000 0.000 0.286 59 F C 1.955 177.759 175.800 0.007 0.000 0.804 59 F CA 1.210 59.217 58.000 0.012 0.000 1.161 59 F CB -2.392 36.622 39.000 0.024 0.000 1.317 59 F HN 0.407 nan 8.300 nan 0.000 0.453 60 T N -2.554 112.068 114.554 0.114 0.000 2.612 60 T HA -0.014 4.336 4.350 0.000 0.000 0.259 60 T C 1.817 176.548 174.700 0.052 0.000 1.065 60 T CA 1.017 63.163 62.100 0.076 0.000 1.167 60 T CB -0.808 68.086 68.868 0.044 0.000 0.863 60 T HN 0.534 nan 8.240 nan 0.000 0.407 61 G N 2.739 111.553 108.800 0.023 0.000 3.401 61 G HA2 0.466 4.426 3.960 0.000 0.000 0.251 61 G HA3 0.466 4.426 3.960 0.000 0.000 0.251 61 G C -0.223 174.684 174.900 0.012 0.000 0.960 61 G CA -0.516 44.591 45.100 0.011 0.000 1.900 61 G HN 0.529 nan 8.290 nan 0.000 0.645 62 I N 0.808 121.397 120.570 0.031 0.000 2.436 62 I HA 0.304 4.474 4.170 0.000 0.000 0.289 62 I C -2.441 173.689 176.117 0.022 0.000 1.010 62 I CA -3.186 58.133 61.300 0.032 0.000 1.098 62 I CB 1.809 39.850 38.000 0.069 0.000 1.266 62 I HN -0.047 nan 8.210 nan 0.000 0.434 63 P HA 0.098 nan 4.420 nan 0.000 0.264 63 P C 0.015 177.312 177.300 -0.006 0.000 1.193 63 P CA 0.171 63.270 63.100 -0.001 0.000 0.763 63 P CB 0.307 32.004 31.700 -0.006 0.000 0.810 64 K N -0.958 119.434 120.400 -0.013 0.000 3.446 64 K HA -0.136 4.184 4.320 0.000 0.000 0.312 64 K C -0.049 176.529 176.600 -0.036 0.000 1.329 64 K CA 0.828 57.097 56.287 -0.030 0.000 0.935 64 K CB -2.367 30.110 32.500 -0.039 0.000 1.281 64 K HN 0.438 nan 8.250 nan 0.000 0.457 65 V N -1.844 118.062 119.914 -0.014 0.000 2.326 65 V HA 0.751 4.871 4.120 0.000 0.000 0.281 65 V C 0.768 176.860 176.094 -0.004 0.000 1.015 65 V CA 0.051 62.342 62.300 -0.016 0.000 0.823 65 V CB 1.549 33.387 31.823 0.025 0.000 1.009 65 V HN 0.246 nan 8.190 nan 0.000 0.436 66 G N 4.447 113.233 108.800 -0.025 0.000 2.535 66 G HA2 0.327 4.287 3.960 0.000 0.000 0.282 66 G HA3 0.327 4.287 3.960 0.000 0.000 0.282 66 G C 0.425 175.326 174.900 0.002 0.000 1.350 66 G CA -0.329 44.767 45.100 -0.006 0.000 1.039 66 G HN 0.826 nan 8.290 nan 0.000 0.509 67 K N -0.445 119.960 120.400 0.008 0.000 2.063 67 K HA -0.053 4.267 4.320 0.000 0.000 0.208 67 K C 2.548 179.149 176.600 0.001 0.000 1.048 67 K CA 1.465 57.760 56.287 0.013 0.000 0.928 67 K CB -0.361 32.147 32.500 0.013 0.000 0.713 67 K HN 0.426 nan 8.250 nan 0.000 0.442 68 G N 1.365 110.158 108.800 -0.013 0.000 2.414 68 G HA2 -0.185 3.775 3.960 0.000 0.000 0.215 68 G HA3 -0.185 3.775 3.960 0.000 0.000 0.215 68 G C 1.562 176.437 174.900 -0.043 0.000 1.188 68 G CA 0.648 45.733 45.100 -0.024 0.000 0.783 68 G HN 0.132 nan 8.290 nan 0.000 0.537 69 I N 1.457 121.978 120.570 -0.081 0.000 2.286 69 I HA -0.153 4.017 4.170 0.000 0.000 0.248 69 I C 3.245 179.320 176.117 -0.070 0.000 1.115 69 I CA 0.888 62.125 61.300 -0.106 0.000 1.392 69 I CB -0.196 37.681 38.000 -0.205 0.000 1.065 69 I HN 0.253 nan 8.210 nan 0.000 0.418 70 A N 0.760 123.554 122.820 -0.043 0.000 1.969 70 A HA -0.090 4.230 4.320 0.000 0.000 0.218 70 A C 2.518 180.077 177.584 -0.041 0.000 1.169 70 A CA 1.689 53.713 52.037 -0.022 0.000 0.635 70 A CB -0.559 18.492 19.000 0.086 0.000 0.810 70 A HN 0.429 nan 8.150 nan 0.000 0.445 71 A N -0.354 122.458 122.820 -0.012 0.000 1.929 71 A HA -0.065 4.255 4.320 0.000 0.000 0.216 71 A C 1.896 179.475 177.584 -0.009 0.000 1.176 71 A CA 1.466 53.504 52.037 0.003 0.000 0.628 71 A CB -0.361 18.641 19.000 0.004 0.000 0.816 71 A HN 0.592 nan 8.150 nan 0.000 0.444 72 E N -0.175 120.016 120.200 -0.015 0.000 2.072 72 E HA -0.075 4.275 4.350 0.000 0.000 0.190 72 E C 1.902 178.589 176.600 0.144 0.000 0.982 72 E CA 0.865 57.271 56.400 0.009 0.000 0.803 72 E CB -0.211 29.466 29.700 -0.038 0.000 0.755 72 E HN 0.592 nan 8.360 nan 0.000 0.453 73 L N 0.522 121.751 121.223 0.010 0.000 2.017 73 L HA -0.200 4.140 4.340 0.000 0.000 0.208 73 L C 2.521 179.212 176.870 -0.298 0.000 1.073 73 L CA 0.882 55.574 54.840 -0.246 0.000 0.745 73 L CB -0.303 41.190 42.059 -0.942 0.000 0.894 73 L HN 0.079 nan 8.230 nan 0.000 0.432 74 S N -0.524 115.034 115.700 -0.237 0.000 2.353 74 S HA -0.271 4.199 4.470 0.000 0.000 0.222 74 S C 1.755 176.428 174.600 0.122 0.000 1.035 74 S CA 1.706 59.950 58.200 0.074 0.000 1.025 74 S CB -0.416 62.872 63.200 0.147 0.000 0.902 74 S HN 0.515 nan 8.310 nan 0.000 0.440 75 D N 0.224 120.688 120.400 0.108 0.000 2.133 75 D HA -0.166 4.474 4.640 0.000 0.000 0.195 75 D C 1.849 178.289 176.300 0.233 0.000 0.997 75 D CA 1.013 55.091 54.000 0.130 0.000 0.840 75 D CB -0.177 40.669 40.800 0.077 0.000 0.947 75 D HN 0.299 nan 8.370 nan 0.000 0.452 76 F N 1.920 121.925 119.950 0.092 0.000 2.095 76 F HA -0.141 4.386 4.527 0.000 0.000 0.298 76 F C 2.317 178.171 175.800 0.090 0.000 1.104 76 F CA 1.524 59.606 58.000 0.137 0.000 1.232 76 F CB -1.068 38.064 39.000 0.219 0.000 0.987 76 F HN 0.012 nan 8.300 nan 0.000 0.475 77 A N 0.304 123.189 122.820 0.110 0.000 1.933 77 A HA -0.176 4.145 4.320 0.000 0.000 0.218 77 A C 2.389 180.005 177.584 0.053 0.000 1.175 77 A CA 1.574 53.617 52.037 0.010 0.000 0.628 77 A CB -0.613 18.478 19.000 0.151 0.000 0.814 77 A HN 0.449 nan 8.150 nan 0.000 0.444 78 R N -0.512 120.050 120.500 0.103 0.000 2.240 78 R HA -0.004 4.336 4.340 0.000 0.000 0.203 78 R C 2.021 178.372 176.300 0.085 0.000 1.011 78 R CA 1.229 57.379 56.100 0.084 0.000 1.007 78 R CB 0.001 30.353 30.300 0.086 0.000 0.911 78 R HN 0.697 nan 8.270 nan 0.000 0.468 79 S N -2.229 113.545 115.700 0.123 0.000 2.619 79 S HA 0.176 4.646 4.470 0.000 0.000 0.238 79 S C 1.361 176.054 174.600 0.154 0.000 1.068 79 S CA 0.392 58.668 58.200 0.126 0.000 0.926 79 S CB 1.208 64.486 63.200 0.129 0.000 0.864 79 S HN 0.328 nan 8.310 nan 0.000 0.493 80 G N 0.538 109.470 108.800 0.220 0.000 2.159 80 G HA2 -0.192 3.768 3.960 0.000 0.000 0.256 80 G HA3 -0.192 3.768 3.960 0.000 0.000 0.256 80 G C 0.090 175.260 174.900 0.449 0.000 0.977 80 G CA 0.412 45.668 45.100 0.259 0.000 0.652 80 G HN 0.730 nan 8.290 nan 0.000 0.531 81 T N 0.248 115.059 114.554 0.427 0.000 2.812 81 T HA 0.527 4.877 4.350 0.000 0.000 0.282 81 T C -1.150 173.569 174.700 0.033 0.000 0.990 81 T CA -0.428 61.787 62.100 0.192 0.000 0.960 81 T CB 1.209 70.131 68.868 0.090 0.000 0.948 81 T HN 0.413 nan 8.240 nan 0.000 0.438 82 F N 4.175 123.773 119.950 -0.587 0.000 2.334 82 F HA 0.573 5.100 4.527 0.000 0.000 0.367 82 F C 1.104 176.692 175.800 -0.353 0.000 1.115 82 F CA -1.339 56.212 58.000 -0.749 0.000 1.116 82 F CB 0.301 38.527 39.000 -1.290 0.000 1.230 82 F HN 0.729 nan 8.300 nan 0.000 0.484 83 A N 8.012 130.463 122.820 -0.614 0.000 1.859 83 A HA -0.161 4.159 4.320 0.000 0.000 0.218 83 A C -0.506 176.799 177.584 -0.465 0.000 1.209 83 A CA 2.024 53.800 52.037 -0.435 0.000 0.639 83 A CB -2.112 16.695 19.000 -0.322 0.000 0.835 83 A HN 0.655 nan 8.150 nan 0.000 0.450 84 P HA -0.157 nan 4.420 nan 0.000 0.216 84 P C 1.524 178.489 177.300 -0.558 0.000 1.150 84 P CA 1.192 64.023 63.100 -0.448 0.000 0.843 84 P CB -0.238 31.229 31.700 -0.387 0.000 0.787 85 L N -0.573 120.402 121.223 -0.414 0.000 2.156 85 L HA -0.078 4.262 4.340 0.000 0.000 0.208 85 L C 2.671 179.361 176.870 -0.299 0.000 1.095 85 L CA 1.166 55.825 54.840 -0.301 0.000 0.770 85 L CB -0.784 41.226 42.059 -0.083 0.000 0.914 85 L HN -0.068 nan 8.230 nan 0.000 0.439 86 E N 0.506 120.548 120.200 -0.263 0.000 2.106 86 E HA -0.151 4.199 4.350 0.000 0.000 0.192 86 E C 2.316 178.791 176.600 -0.208 0.000 0.984 86 E CA 1.257 57.534 56.400 -0.204 0.000 0.806 86 E CB -0.193 29.417 29.700 -0.150 0.000 0.750 86 E HN 0.426 nan 8.360 nan 0.000 0.458 87 A N 1.840 124.528 122.820 -0.220 0.000 1.883 87 A HA -0.137 4.183 4.320 0.000 0.000 0.217 87 A C 2.466 179.934 177.584 -0.194 0.000 1.186 87 A CA 2.324 54.282 52.037 -0.131 0.000 0.624 87 A CB -0.709 18.280 19.000 -0.018 0.000 0.822 87 A HN 0.275 nan 8.150 nan 0.000 0.444 88 A N -0.263 122.272 122.820 -0.474 0.000 1.933 88 A HA 0.154 4.474 4.320 0.000 0.000 0.218 88 A C 2.478 179.914 177.584 -0.247 0.000 1.175 88 A CA 2.065 53.849 52.037 -0.422 0.000 0.628 88 A CB -0.991 17.631 19.000 -0.630 0.000 0.814 88 A HN 1.141 nan 8.150 nan 0.000 0.444 89 A N -0.683 121.988 122.820 -0.248 0.000 1.978 89 A HA 0.099 4.419 4.320 0.000 0.000 0.220 89 A C 2.246 179.690 177.584 -0.233 0.000 1.170 89 A CA 1.871 53.776 52.037 -0.221 0.000 0.636 89 A CB -1.044 17.823 19.000 -0.221 0.000 0.810 89 A HN 0.759 nan 8.150 nan 0.000 0.448 90 G N -1.788 106.871 108.800 -0.235 0.000 2.683 90 G HA2 0.094 4.054 3.960 0.000 0.000 0.213 90 G HA3 0.094 4.054 3.960 0.000 0.000 0.213 90 G C 1.461 176.429 174.900 0.114 0.000 1.142 90 G CA 0.655 45.626 45.100 -0.215 0.000 0.793 90 G HN 0.614 nan 8.290 nan 0.000 0.534 91 Q N -0.697 119.111 119.800 0.014 0.000 2.390 91 Q HA 0.319 4.659 4.340 0.000 0.000 0.216 91 Q C 0.659 176.551 176.000 -0.180 0.000 0.916 91 Q CA -0.218 55.547 55.803 -0.063 0.000 0.911 91 Q CB 0.406 29.109 28.738 -0.059 0.000 1.035 91 Q HN 0.297 nan 8.270 nan 0.000 0.541 92 L N 2.727 123.860 121.223 -0.151 0.000 2.452 92 L HA 0.187 4.527 4.340 0.000 0.000 0.267 92 L C -2.120 174.650 176.870 -0.166 0.000 1.188 92 L CA -1.953 52.769 54.840 -0.196 0.000 0.821 92 L CB -0.039 41.895 42.059 -0.208 0.000 1.102 92 L HN -0.089 nan 8.230 nan 0.000 0.470 93 P HA 0.098 nan 4.420 nan 0.000 0.271 93 P C -2.131 175.109 177.300 -0.101 0.000 1.218 93 P CA -1.147 61.821 63.100 -0.220 0.000 0.780 93 P CB 0.179 31.650 31.700 -0.382 0.000 0.901 94 P HA -0.183 nan 4.420 nan 0.000 0.216 94 P C 1.538 178.848 177.300 0.017 0.000 1.153 94 P CA 1.991 65.080 63.100 -0.018 0.000 0.858 94 P CB -0.378 31.320 31.700 -0.002 0.000 0.789 95 G N -0.666 108.179 108.800 0.076 0.000 2.443 95 G HA2 -0.210 3.750 3.960 0.000 0.000 0.219 95 G HA3 -0.210 3.750 3.960 0.000 0.000 0.219 95 G C 1.453 176.465 174.900 0.186 0.000 1.131 95 G CA 0.323 45.508 45.100 0.141 0.000 0.775 95 G HN 0.229 nan 8.290 nan 0.000 0.547 96 L N 0.303 121.599 121.223 0.121 0.000 2.072 96 L HA 0.221 4.561 4.340 0.000 0.000 0.205 96 L C 2.639 179.455 176.870 -0.090 0.000 1.079 96 L CA 1.052 55.838 54.840 -0.090 0.000 0.752 96 L CB -0.222 41.523 42.059 -0.523 0.000 0.906 96 L HN 0.154 nan 8.230 nan 0.000 0.436 97 L N -0.601 120.571 121.223 -0.085 0.000 2.127 97 L HA -0.218 4.122 4.340 0.000 0.000 0.211 97 L C 2.104 178.950 176.870 -0.039 0.000 1.089 97 L CA 1.101 55.895 54.840 -0.077 0.000 0.757 97 L CB -0.850 41.162 42.059 -0.078 0.000 0.899 97 L HN 0.321 nan 8.230 nan 0.000 0.434 98 D N 0.182 120.578 120.400 -0.007 0.000 2.091 98 D HA -0.111 4.529 4.640 0.000 0.000 0.199 98 D C 2.430 178.732 176.300 0.004 0.000 0.980 98 D CA 1.051 55.056 54.000 0.008 0.000 0.831 98 D CB -0.171 40.649 40.800 0.034 0.000 0.987 98 D HN 0.221 nan 8.370 nan 0.000 0.460 99 L N 0.479 121.718 121.223 0.026 0.000 2.127 99 L HA -0.145 4.195 4.340 0.000 0.000 0.211 99 L C 2.334 179.208 176.870 0.006 0.000 1.089 99 L CA 0.609 55.468 54.840 0.031 0.000 0.757 99 L CB -0.405 41.704 42.059 0.084 0.000 0.899 99 L HN 0.053 nan 8.230 nan 0.000 0.434 100 L N -0.359 120.853 121.223 -0.019 0.000 2.549 100 L HA -0.072 4.268 4.340 0.000 0.000 0.229 100 L C 2.059 178.915 176.870 -0.024 0.000 1.158 100 L CA 0.682 55.503 54.840 -0.032 0.000 0.842 100 L CB -0.562 41.461 42.059 -0.060 0.000 0.952 100 L HN 0.279 nan 8.230 nan 0.000 0.452 101 G N -1.133 107.655 108.800 -0.020 0.000 3.159 101 G HA2 0.160 4.120 3.960 0.000 0.000 0.232 101 G HA3 0.160 4.120 3.960 0.000 0.000 0.232 101 G C 0.405 175.292 174.900 -0.021 0.000 1.116 101 G CA -0.105 44.982 45.100 -0.020 0.000 0.767 101 G HN 0.060 nan 8.290 nan 0.000 0.547 102 V N 2.342 122.246 119.914 -0.017 0.000 2.387 102 V HA 0.202 4.322 4.120 0.000 0.000 0.260 102 V C 0.930 177.019 176.094 -0.009 0.000 1.054 102 V CA -0.828 61.463 62.300 -0.016 0.000 0.967 102 V CB 0.466 32.284 31.823 -0.008 0.000 1.036 102 V HN 0.331 nan 8.190 nan 0.000 0.481 103 R N 3.939 124.424 120.500 -0.024 0.000 2.486 103 R HA 0.210 4.550 4.340 0.000 0.000 0.303 103 R C 1.215 177.509 176.300 -0.010 0.000 0.958 103 R CA 1.275 57.357 56.100 -0.030 0.000 1.077 103 R CB -0.114 30.144 30.300 -0.071 0.000 0.921 103 R HN 1.094 nan 8.270 nan 0.000 0.406 104 G N 3.509 112.307 108.800 -0.002 0.000 2.179 104 G HA2 -0.216 3.744 3.960 0.000 0.000 0.220 104 G HA3 -0.216 3.744 3.960 0.000 0.000 0.220 104 G C -0.032 174.883 174.900 0.025 0.000 0.990 104 G CA -0.261 44.844 45.100 0.008 0.000 0.646 104 G HN 0.519 nan 8.290 nan 0.000 0.517 105 L N 2.155 123.399 121.223 0.034 0.000 2.255 105 L HA 0.591 4.931 4.340 0.000 0.000 0.289 105 L C 1.323 178.209 176.870 0.027 0.000 1.046 105 L CA -0.206 54.668 54.840 0.056 0.000 0.816 105 L CB 1.052 43.159 42.059 0.080 0.000 1.197 105 L HN 0.224 nan 8.230 nan 0.000 0.427 106 G N 3.471 112.279 108.800 0.013 0.000 2.580 106 G HA2 0.280 4.240 3.960 0.000 0.000 0.278 106 G HA3 0.280 4.240 3.960 0.000 0.000 0.278 106 G C -1.939 172.963 174.900 0.004 0.000 1.212 106 G CA -0.990 44.108 45.100 -0.004 0.000 0.939 106 G HN 0.410 nan 8.290 nan 0.000 0.513 107 P HA -0.139 nan 4.420 nan 0.000 0.215 107 P C 1.945 179.248 177.300 0.005 0.000 1.157 107 P CA 1.708 64.801 63.100 -0.011 0.000 0.868 107 P CB 0.166 31.854 31.700 -0.020 0.000 0.788 108 K N 0.840 121.241 120.400 0.001 0.000 2.097 108 K HA -0.123 4.197 4.320 0.000 0.000 0.206 108 K C 1.634 178.259 176.600 0.042 0.000 1.049 108 K CA 1.757 58.050 56.287 0.010 0.000 0.933 108 K CB -1.015 31.477 32.500 -0.013 0.000 0.717 108 K HN 0.138 nan 8.250 nan 0.000 0.442 109 K N 0.581 121.008 120.400 0.045 0.000 2.062 109 K HA 0.126 4.446 4.320 0.000 0.000 0.205 109 K C 2.390 179.126 176.600 0.228 0.000 1.051 109 K CA 1.132 57.505 56.287 0.142 0.000 0.941 109 K CB -0.149 32.412 32.500 0.102 0.000 0.719 109 K HN 0.096 nan 8.250 nan 0.000 0.440 110 I N 1.032 121.689 120.570 0.145 0.000 2.335 110 I HA -0.289 3.881 4.170 0.000 0.000 0.251 110 I C 2.643 178.853 176.117 0.154 0.000 1.129 110 I CA 1.175 62.557 61.300 0.135 0.000 1.402 110 I CB -0.265 37.767 38.000 0.052 0.000 1.069 110 I HN 0.187 nan 8.210 nan 0.000 0.424 111 R N 1.184 121.751 120.500 0.111 0.000 2.115 111 R HA -0.138 4.202 4.340 0.000 0.000 0.226 111 R C 2.454 178.866 176.300 0.186 0.000 1.100 111 R CA 1.743 57.915 56.100 0.120 0.000 0.980 111 R CB -0.153 30.181 30.300 0.057 0.000 0.875 111 R HN 0.380 nan 8.270 nan 0.000 0.445 112 S N 0.060 115.870 115.700 0.183 0.000 2.436 112 S HA -0.011 4.459 4.470 0.000 0.000 0.228 112 S C 1.999 176.718 174.600 0.197 0.000 1.014 112 S CA 0.461 58.776 58.200 0.191 0.000 0.950 112 S CB -0.242 63.083 63.200 0.209 0.000 0.784 112 S HN 0.355 nan 8.310 nan 0.000 0.504 113 L N -0.303 121.049 121.223 0.216 0.000 2.017 113 L HA -0.033 4.307 4.340 0.000 0.000 0.208 113 L C 2.721 179.686 176.870 0.160 0.000 1.073 113 L CA 1.584 56.503 54.840 0.132 0.000 0.745 113 L CB -0.619 41.514 42.059 0.124 0.000 0.894 113 L HN 0.487 nan 8.230 nan 0.000 0.432 114 W N 0.937 122.256 121.300 0.032 0.000 2.335 114 W HA -0.213 4.447 4.660 0.000 0.000 0.311 114 W C 2.255 178.798 176.519 0.039 0.000 1.213 114 W CA 1.424 58.788 57.345 0.033 0.000 1.274 114 W CB -0.104 29.376 29.460 0.034 0.000 1.148 114 W HN 0.137 nan 8.180 nan 0.000 0.498 115 L N 0.501 121.863 121.223 0.233 0.000 2.275 115 L HA -0.129 4.211 4.340 0.000 0.000 0.215 115 L C 2.401 179.299 176.870 0.046 0.000 1.119 115 L CA 1.022 55.938 54.840 0.127 0.000 0.790 115 L CB -0.954 41.183 42.059 0.129 0.000 0.919 115 L HN -0.083 nan 8.230 nan 0.000 0.443 116 A N -0.547 122.293 122.820 0.033 0.000 2.251 116 A HA 0.357 4.677 4.320 0.000 0.000 0.209 116 A C 1.682 179.233 177.584 -0.055 0.000 1.187 116 A CA 0.661 52.696 52.037 -0.004 0.000 0.823 116 A CB -0.171 18.830 19.000 0.001 0.000 0.846 116 A HN 0.476 nan 8.150 nan 0.000 0.486 117 G N -0.788 107.945 108.800 -0.113 0.000 2.131 117 G HA2 -0.189 3.771 3.960 0.000 0.000 0.223 117 G HA3 -0.189 3.771 3.960 0.000 0.000 0.223 117 G C 0.001 174.783 174.900 -0.196 0.000 0.990 117 G CA 0.141 45.136 45.100 -0.174 0.000 0.671 117 G HN 0.460 nan 8.290 nan 0.000 0.521 118 I N 2.038 122.503 120.570 -0.175 0.000 2.306 118 I HA 0.308 4.478 4.170 0.000 0.000 0.288 118 I C 0.522 176.536 176.117 -0.171 0.000 1.036 118 I CA -0.255 60.965 61.300 -0.135 0.000 1.221 118 I CB 1.090 39.042 38.000 -0.080 0.000 1.385 118 I HN 0.234 nan 8.210 nan 0.000 0.472 119 D N 3.250 123.510 120.400 -0.233 0.000 2.500 119 D HA 0.069 4.709 4.640 0.000 0.000 0.217 119 D C 0.129 176.428 176.300 -0.000 0.000 1.159 119 D CA -0.003 53.790 54.000 -0.344 0.000 0.828 119 D CB 0.538 40.930 40.800 -0.681 0.000 1.039 119 D HN 0.424 nan 8.370 nan 0.000 0.512 120 S N -1.055 114.659 115.700 0.024 0.000 2.596 120 S HA 0.342 4.812 4.470 0.000 0.000 0.270 120 S C 0.471 175.107 174.600 0.060 0.000 1.155 120 S CA -0.756 57.483 58.200 0.065 0.000 0.827 120 S CB 1.257 64.487 63.200 0.051 0.000 1.130 120 S HN -0.127 nan 8.310 nan 0.000 0.467 121 L N 1.420 122.686 121.223 0.072 0.000 2.013 121 L HA -0.017 4.323 4.340 0.000 0.000 0.212 121 L C 2.790 179.730 176.870 0.117 0.000 1.073 121 L CA 2.535 57.396 54.840 0.036 0.000 0.753 121 L CB -1.389 40.679 42.059 0.015 0.000 0.890 121 L HN 1.038 nan 8.230 nan 0.000 0.432 122 E N -0.175 120.162 120.200 0.228 0.000 2.077 122 E HA -0.259 4.091 4.350 0.000 0.000 0.193 122 E C 2.365 179.038 176.600 0.121 0.000 0.989 122 E CA 1.339 57.880 56.400 0.234 0.000 0.800 122 E CB -0.177 29.618 29.700 0.157 0.000 0.746 122 E HN 0.225 nan 8.360 nan 0.000 0.452 123 R N 0.071 120.613 120.500 0.069 0.000 2.115 123 R HA 0.065 4.405 4.340 0.000 0.000 0.230 123 R C 2.390 178.692 176.300 0.003 0.000 1.111 123 R CA 1.116 57.232 56.100 0.028 0.000 0.976 123 R CB -0.665 29.633 30.300 -0.003 0.000 0.870 123 R HN 0.403 nan 8.270 nan 0.000 0.445 124 L N 0.208 121.431 121.223 0.000 0.000 2.056 124 L HA -0.105 4.235 4.340 0.000 0.000 0.207 124 L C 2.575 179.429 176.870 -0.027 0.000 1.078 124 L CA 1.566 56.386 54.840 -0.034 0.000 0.749 124 L CB -0.346 41.690 42.059 -0.039 0.000 0.901 124 L HN 0.302 nan 8.230 nan 0.000 0.433 125 R N 0.201 120.707 120.500 0.010 0.000 2.096 125 R HA -0.214 4.126 4.340 0.000 0.000 0.235 125 R C 1.894 178.218 176.300 0.039 0.000 1.127 125 R CA 1.832 57.950 56.100 0.031 0.000 0.968 125 R CB -0.125 30.247 30.300 0.119 0.000 0.861 125 R HN 0.488 nan 8.270 nan 0.000 0.440 126 E N -0.015 120.212 120.200 0.046 0.000 2.072 126 E HA -0.126 4.224 4.350 0.000 0.000 0.191 126 E C 1.978 178.583 176.600 0.008 0.000 0.985 126 E CA 1.079 57.502 56.400 0.039 0.000 0.801 126 E CB -0.096 29.629 29.700 0.041 0.000 0.750 126 E HN 0.458 nan 8.360 nan 0.000 0.452 127 A N 1.516 124.325 122.820 -0.018 0.000 1.933 127 A HA -0.137 4.183 4.320 0.000 0.000 0.218 127 A C 2.378 179.932 177.584 -0.050 0.000 1.175 127 A CA 1.691 53.699 52.037 -0.048 0.000 0.628 127 A CB -0.629 18.318 19.000 -0.089 0.000 0.814 127 A HN 0.294 nan 8.150 nan 0.000 0.444 128 A N -0.445 122.347 122.820 -0.045 0.000 1.873 128 A HA -0.140 4.180 4.320 0.000 0.000 0.215 128 A C 1.940 179.519 177.584 -0.010 0.000 1.186 128 A CA 1.973 53.989 52.037 -0.035 0.000 0.616 128 A CB -0.540 18.441 19.000 -0.032 0.000 0.823 128 A HN 0.539 nan 8.150 nan 0.000 0.442 129 E N 0.396 120.600 120.200 0.006 0.000 2.097 129 E HA -0.177 4.173 4.350 0.000 0.000 0.196 129 E C 2.129 178.741 176.600 0.021 0.000 1.000 129 E CA 1.912 58.328 56.400 0.026 0.000 0.804 129 E CB -0.147 29.585 29.700 0.054 0.000 0.740 129 E HN 0.729 nan 8.360 nan 0.000 0.454 130 S N -2.151 113.555 115.700 0.011 0.000 2.548 130 S HA 0.236 4.707 4.470 0.000 0.000 0.215 130 S C 1.598 176.200 174.600 0.002 0.000 0.976 130 S CA 0.462 58.667 58.200 0.008 0.000 0.908 130 S CB 0.650 63.852 63.200 0.004 0.000 0.781 130 S HN 0.476 nan 8.310 nan 0.000 0.519 131 G N 1.564 110.362 108.800 -0.002 0.000 2.199 131 G HA2 -0.370 3.590 3.960 0.000 0.000 0.254 131 G HA3 -0.370 3.590 3.960 0.000 0.000 0.254 131 G C 0.653 175.546 174.900 -0.011 0.000 0.982 131 G CA 0.546 45.646 45.100 -0.002 0.000 0.632 131 G HN 0.576 nan 8.290 nan 0.000 0.529 132 E N 0.009 120.195 120.200 -0.023 0.000 2.085 132 E HA -0.038 4.312 4.350 0.000 0.000 0.194 132 E C 2.436 178.997 176.600 -0.066 0.000 0.994 132 E CA 1.194 57.573 56.400 -0.035 0.000 0.801 132 E CB -0.170 29.506 29.700 -0.040 0.000 0.743 132 E HN 0.593 nan 8.360 nan 0.000 0.453 133 L N 0.305 121.467 121.223 -0.103 0.000 1.994 133 L HA -0.169 4.171 4.340 0.000 0.000 0.208 133 L C 2.533 179.328 176.870 -0.124 0.000 1.071 133 L CA 1.482 56.196 54.840 -0.211 0.000 0.745 133 L CB -0.465 41.459 42.059 -0.225 0.000 0.892 133 L HN 0.265 nan 8.230 nan 0.000 0.431 134 A N -0.339 122.470 122.820 -0.018 0.000 1.978 134 A HA -0.157 4.163 4.320 0.000 0.000 0.220 134 A C 2.155 179.789 177.584 0.082 0.000 1.170 134 A CA 1.528 53.605 52.037 0.067 0.000 0.636 134 A CB -1.126 17.904 19.000 0.050 0.000 0.810 134 A HN 0.553 nan 8.150 nan 0.000 0.448 135 G N -0.887 107.937 108.800 0.041 0.000 2.598 135 G HA2 0.199 4.159 3.960 0.000 0.000 0.215 135 G HA3 0.199 4.159 3.960 0.000 0.000 0.215 135 G C 0.627 175.570 174.900 0.071 0.000 1.131 135 G CA -0.068 45.060 45.100 0.046 0.000 0.785 135 G HN 0.424 nan 8.290 nan 0.000 0.539 136 L N 0.409 121.694 121.223 0.104 0.000 2.436 136 L HA 0.217 4.557 4.340 0.000 0.000 0.265 136 L C 0.693 177.705 176.870 0.237 0.000 1.168 136 L CA -0.584 54.361 54.840 0.176 0.000 0.815 136 L CB 0.870 43.057 42.059 0.214 0.000 1.109 136 L HN -0.027 nan 8.230 nan 0.000 0.462 137 K N 1.370 121.873 120.400 0.172 0.000 2.472 137 K HA 0.082 4.402 4.320 0.000 0.000 0.280 137 K C 0.853 177.499 176.600 0.077 0.000 1.028 137 K CA 1.009 57.359 56.287 0.106 0.000 1.045 137 K CB 0.312 32.852 32.500 0.068 0.000 0.902 137 K HN 0.913 nan 8.250 nan 0.000 0.478 138 G N 3.287 112.067 108.800 -0.033 0.000 2.234 138 G HA2 -0.253 3.707 3.960 0.000 0.000 0.235 138 G HA3 -0.253 3.707 3.960 0.000 0.000 0.235 138 G C -0.245 174.400 174.900 -0.424 0.000 0.997 138 G CA -0.395 44.555 45.100 -0.251 0.000 0.623 138 G HN 0.505 nan 8.290 nan 0.000 0.514 139 F N 0.905 120.861 119.950 0.011 0.000 2.492 139 F HA 0.739 5.266 4.527 0.000 0.000 0.327 139 F C 0.879 176.684 175.800 0.009 0.000 1.079 139 F CA -0.046 57.960 58.000 0.010 0.000 0.967 139 F CB 2.136 41.143 39.000 0.012 0.000 1.169 139 F HN 0.299 nan 8.300 nan 0.000 0.472 140 G N -0.028 108.881 108.800 0.183 0.000 3.105 140 G HA2 0.531 4.491 3.960 0.000 0.000 0.277 140 G HA3 0.531 4.491 3.960 0.000 0.000 0.277 140 G C 0.331 175.290 174.900 0.098 0.000 1.375 140 G CA -0.342 44.824 45.100 0.110 0.000 0.962 140 G HN 0.794 nan 8.290 nan 0.000 0.541 141 A N -0.290 122.568 122.820 0.063 0.000 1.917 141 A HA -0.075 4.245 4.320 0.000 0.000 0.219 141 A C 2.192 179.806 177.584 0.050 0.000 1.182 141 A CA 2.357 54.424 52.037 0.049 0.000 0.633 141 A CB -0.449 18.571 19.000 0.034 0.000 0.819 141 A HN 0.571 nan 8.150 nan 0.000 0.448 142 K N -0.006 120.423 120.400 0.049 0.000 2.031 142 K HA -0.098 4.222 4.320 0.000 0.000 0.205 142 K C 2.470 179.104 176.600 0.057 0.000 1.049 142 K CA 1.562 57.875 56.287 0.043 0.000 0.939 142 K CB -0.179 32.340 32.500 0.031 0.000 0.717 142 K HN 0.659 nan 8.250 nan 0.000 0.438 143 S N 0.592 116.339 115.700 0.078 0.000 2.423 143 S HA -0.071 4.400 4.470 0.000 0.000 0.231 143 S C 2.180 176.869 174.600 0.148 0.000 1.014 143 S CA 0.884 59.150 58.200 0.111 0.000 0.965 143 S CB -0.209 63.065 63.200 0.122 0.000 0.785 143 S HN 0.270 nan 8.310 nan 0.000 0.495 144 A N 1.471 124.371 122.820 0.133 0.000 2.015 144 A HA 0.438 4.758 4.320 0.000 0.000 0.219 144 A C 2.359 179.969 177.584 0.043 0.000 1.163 144 A CA 1.364 53.449 52.037 0.080 0.000 0.646 144 A CB -1.025 18.003 19.000 0.047 0.000 0.806 144 A HN 0.818 nan 8.150 nan 0.000 0.448 145 A N -1.534 121.312 122.820 0.044 0.000 1.984 145 A HA 0.104 4.424 4.320 0.000 0.000 0.214 145 A C 2.186 179.790 177.584 0.034 0.000 1.173 145 A CA 1.691 53.744 52.037 0.027 0.000 0.673 145 A CB -0.730 18.284 19.000 0.023 0.000 0.830 145 A HN 0.359 nan 8.150 nan 0.000 0.453 146 T N 0.512 115.095 114.554 0.049 0.000 2.777 146 T HA -0.053 4.297 4.350 0.000 0.000 0.266 146 T C 1.773 176.508 174.700 0.057 0.000 1.040 146 T CA 1.477 63.609 62.100 0.054 0.000 1.141 146 T CB -0.356 68.543 68.868 0.052 0.000 0.868 146 T HN 0.398 nan 8.240 nan 0.000 0.444 147 I N 0.753 121.360 120.570 0.061 0.000 2.226 147 I HA -0.130 4.040 4.170 0.000 0.000 0.245 147 I C 2.275 178.399 176.117 0.011 0.000 1.100 147 I CA 0.754 62.083 61.300 0.048 0.000 1.374 147 I CB -0.303 37.737 38.000 0.067 0.000 1.057 147 I HN 0.169 nan 8.210 nan 0.000 0.413 148 L N 1.149 122.373 121.223 0.001 0.000 2.083 148 L HA -0.234 4.106 4.340 0.000 0.000 0.209 148 L C 2.503 179.357 176.870 -0.027 0.000 1.083 148 L CA 1.940 56.764 54.840 -0.028 0.000 0.752 148 L CB -0.818 41.224 42.059 -0.029 0.000 0.899 148 L HN 0.346 nan 8.230 nan 0.000 0.433 149 E N -0.841 119.369 120.200 0.016 0.000 2.051 149 E HA -0.268 4.082 4.350 0.000 0.000 0.192 149 E C 1.633 178.337 176.600 0.173 0.000 0.991 149 E CA 1.523 57.958 56.400 0.057 0.000 0.799 149 E CB -0.214 29.552 29.700 0.110 0.000 0.748 149 E HN 0.574 nan 8.360 nan 0.000 0.449 150 N N 0.413 119.211 118.700 0.163 0.000 2.309 150 N HA -0.098 4.642 4.740 0.000 0.000 0.182 150 N C 1.928 177.487 175.510 0.082 0.000 1.018 150 N CA 1.043 54.205 53.050 0.186 0.000 0.876 150 N CB -0.022 38.502 38.487 0.062 0.000 0.972 150 N HN 0.108 nan 8.380 nan 0.000 0.434 151 V N 0.584 120.465 119.914 -0.054 0.000 2.453 151 V HA -0.104 4.016 4.120 0.000 0.000 0.247 151 V C 2.391 178.278 176.094 -0.346 0.000 1.048 151 V CA 0.847 62.991 62.300 -0.260 0.000 1.049 151 V CB -0.399 31.236 31.823 -0.314 0.000 0.672 151 V HN 0.028 nan 8.190 nan 0.000 0.457 152 V N -0.460 119.346 119.914 -0.179 0.000 2.469 152 V HA -0.270 3.850 4.120 0.000 0.000 0.251 152 V C 2.162 178.172 176.094 -0.140 0.000 1.064 152 V CA 2.141 64.352 62.300 -0.148 0.000 1.066 152 V CB -0.787 30.918 31.823 -0.197 0.000 0.667 152 V HN 0.462 nan 8.190 nan 0.000 0.461 153 F N -1.088 118.819 119.950 -0.072 0.000 2.146 153 F HA -0.133 4.395 4.527 0.000 0.000 0.298 153 F C 2.146 177.927 175.800 -0.031 0.000 1.096 153 F CA 1.111 59.089 58.000 -0.038 0.000 1.275 153 F CB -0.358 38.618 39.000 -0.041 0.000 1.008 153 F HN 0.082 nan 8.300 nan 0.000 0.480 154 L N -0.711 120.564 121.223 0.087 0.000 2.042 154 L HA -0.241 4.099 4.340 0.000 0.000 0.210 154 L C 2.321 179.269 176.870 0.130 0.000 1.076 154 L CA 1.785 56.643 54.840 0.031 0.000 0.749 154 L CB -1.681 40.314 42.059 -0.105 0.000 0.893 154 L HN 0.181 nan 8.230 nan 0.000 0.432 155 F N 0.207 120.174 119.950 0.029 0.000 2.134 155 F HA -0.198 4.329 4.527 0.000 0.000 0.299 155 F C 2.430 178.229 175.800 -0.001 0.000 1.097 155 F CA 0.537 58.540 58.000 0.004 0.000 1.264 155 F CB -0.013 38.979 39.000 -0.014 0.000 1.001 155 F HN 0.236 nan 8.300 nan 0.000 0.479 156 E N 0.357 120.664 120.200 0.179 0.000 2.274 156 E HA -0.133 4.217 4.350 0.000 0.000 0.194 156 E C 2.227 178.880 176.600 0.088 0.000 0.996 156 E CA 0.604 57.056 56.400 0.087 0.000 0.840 156 E CB -0.128 29.577 29.700 0.009 0.000 0.772 156 E HN 0.376 nan 8.360 nan 0.000 0.491 157 A N 1.771 124.658 122.820 0.113 0.000 1.858 157 A HA -0.115 4.205 4.320 0.000 0.000 0.216 157 A C 1.249 178.879 177.584 0.077 0.000 1.190 157 A CA 0.589 52.682 52.037 0.094 0.000 0.617 157 A CB -0.334 18.724 19.000 0.096 0.000 0.827 157 A HN 0.048 nan 8.150 nan 0.000 0.443 158 R N 0.127 120.683 120.500 0.093 0.000 2.619 158 R HA 0.027 4.367 4.340 0.000 0.000 0.268 158 R C 1.094 177.421 176.300 0.046 0.000 0.990 158 R CA 0.435 56.577 56.100 0.070 0.000 1.092 158 R CB 0.206 30.558 30.300 0.088 0.000 0.935 158 R HN 0.600 nan 8.270 nan 0.000 0.415 159 Q N 1.574 121.393 119.800 0.032 0.000 2.212 159 Q HA 0.006 4.346 4.340 0.000 0.000 0.199 159 Q C 0.093 176.100 176.000 0.012 0.000 0.950 159 Q CA 1.130 56.946 55.803 0.022 0.000 0.863 159 Q CB 0.439 29.189 28.738 0.020 0.000 0.944 159 Q HN 0.355 nan 8.270 nan 0.000 0.465 160 R N 0.024 120.528 120.500 0.008 0.000 2.744 160 R HA 0.305 4.645 4.340 0.000 0.000 0.279 160 R C -0.822 175.464 176.300 -0.024 0.000 0.977 160 R CA -0.626 55.470 56.100 -0.007 0.000 0.906 160 R CB 1.688 31.988 30.300 -0.000 0.000 1.197 160 R HN -0.017 nan 8.270 nan 0.000 0.463 161 Q N 0.675 120.439 119.800 -0.059 0.000 2.205 161 Q HA 0.264 4.604 4.340 0.000 0.000 0.249 161 Q C -0.063 175.878 176.000 -0.097 0.000 0.948 161 Q CA -0.395 55.338 55.803 -0.116 0.000 0.895 161 Q CB 1.822 30.442 28.738 -0.196 0.000 1.249 161 Q HN 0.752 nan 8.270 nan 0.000 0.458 162 S N 0.082 115.711 115.700 -0.118 0.000 2.593 162 S HA 0.058 4.528 4.470 0.000 0.000 0.269 162 S C 1.093 175.612 174.600 -0.135 0.000 1.334 162 S CA -0.598 57.538 58.200 -0.108 0.000 1.015 162 S CB 0.503 63.641 63.200 -0.103 0.000 0.912 162 S HN 0.599 nan 8.310 nan 0.000 0.541 163 L N 1.419 122.559 121.223 -0.139 0.000 2.127 163 L HA -0.070 4.270 4.340 0.000 0.000 0.211 163 L C 2.670 179.430 176.870 -0.184 0.000 1.089 163 L CA 1.893 56.656 54.840 -0.130 0.000 0.757 163 L CB -0.906 41.089 42.059 -0.108 0.000 0.899 163 L HN 0.941 nan 8.230 nan 0.000 0.434 164 R N -0.656 119.638 120.500 -0.344 0.000 2.070 164 R HA -0.147 4.193 4.340 0.000 0.000 0.233 164 R C 2.172 178.414 176.300 -0.098 0.000 1.137 164 R CA 1.483 57.390 56.100 -0.320 0.000 0.945 164 R CB -0.438 29.644 30.300 -0.364 0.000 0.845 164 R HN 0.473 nan 8.270 nan 0.000 0.430 165 A N 0.294 123.029 122.820 -0.141 0.000 1.877 165 A HA -0.076 4.244 4.320 0.000 0.000 0.216 165 A C 2.391 179.892 177.584 -0.138 0.000 1.186 165 A CA 1.773 53.703 52.037 -0.178 0.000 0.620 165 A CB -1.333 17.394 19.000 -0.454 0.000 0.822 165 A HN 0.604 nan 8.150 nan 0.000 0.443 166 G N -0.504 108.216 108.800 -0.133 0.000 2.418 166 G HA2 -0.136 3.824 3.960 0.000 0.000 0.217 166 G HA3 -0.136 3.824 3.960 0.000 0.000 0.217 166 G C 1.466 176.346 174.900 -0.034 0.000 1.158 166 G CA 1.249 46.299 45.100 -0.084 0.000 0.771 166 G HN 0.412 nan 8.290 nan 0.000 0.545 167 L N 1.245 122.469 121.223 0.001 0.000 2.072 167 L HA 0.272 4.612 4.340 0.000 0.000 0.205 167 L C 3.096 179.989 176.870 0.038 0.000 1.079 167 L CA 1.826 56.692 54.840 0.043 0.000 0.752 167 L CB -0.891 41.252 42.059 0.140 0.000 0.906 167 L HN 0.245 nan 8.230 nan 0.000 0.436 168 A N -1.192 121.657 122.820 0.049 0.000 1.877 168 A HA -0.164 4.156 4.320 0.000 0.000 0.216 168 A C 2.282 179.879 177.584 0.022 0.000 1.186 168 A CA 2.109 54.174 52.037 0.047 0.000 0.620 168 A CB -1.068 17.971 19.000 0.065 0.000 0.822 168 A HN 0.268 nan 8.150 nan 0.000 0.443 169 V N -0.193 119.730 119.914 0.014 0.000 2.343 169 V HA -0.231 3.889 4.120 0.000 0.000 0.247 169 V C 3.056 179.116 176.094 -0.057 0.000 1.051 169 V CA 1.917 64.219 62.300 0.004 0.000 1.036 169 V CB -1.229 30.618 31.823 0.040 0.000 0.654 169 V HN 0.624 nan 8.190 nan 0.000 0.451 170 A N 0.159 122.954 122.820 -0.042 0.000 1.902 170 A HA -0.259 4.061 4.320 0.000 0.000 0.217 170 A C 2.343 179.894 177.584 -0.055 0.000 1.181 170 A CA 1.883 53.889 52.037 -0.052 0.000 0.623 170 A CB -0.518 18.461 19.000 -0.035 0.000 0.818 170 A HN 0.651 nan 8.150 nan 0.000 0.443 171 E N 0.250 120.428 120.200 -0.037 0.000 2.110 171 E HA -0.266 4.084 4.350 0.000 0.000 0.193 171 E C 1.873 178.442 176.600 -0.051 0.000 0.988 171 E CA 1.636 58.014 56.400 -0.037 0.000 0.804 171 E CB -0.347 29.342 29.700 -0.019 0.000 0.745 171 E HN 0.765 nan 8.360 nan 0.000 0.458 172 E N 0.418 120.581 120.200 -0.062 0.000 2.072 172 E HA -0.120 4.231 4.350 0.000 0.000 0.191 172 E C 2.497 179.012 176.600 -0.141 0.000 0.985 172 E CA 0.799 57.147 56.400 -0.087 0.000 0.801 172 E CB -0.016 29.635 29.700 -0.081 0.000 0.750 172 E HN 0.332 nan 8.360 nan 0.000 0.452 173 L N 0.342 121.453 121.223 -0.187 0.000 2.141 173 L HA -0.095 4.245 4.340 0.000 0.000 0.209 173 L C 2.646 179.446 176.870 -0.117 0.000 1.094 173 L CA 0.760 55.482 54.840 -0.197 0.000 0.763 173 L CB -0.494 41.439 42.059 -0.210 0.000 0.908 173 L HN 0.204 nan 8.230 nan 0.000 0.437 174 A N 0.718 123.484 122.820 -0.088 0.000 1.940 174 A HA -0.156 4.164 4.320 0.000 0.000 0.219 174 A C 2.416 179.966 177.584 -0.057 0.000 1.176 174 A CA 1.710 53.709 52.037 -0.063 0.000 0.631 174 A CB -1.190 17.779 19.000 -0.052 0.000 0.814 174 A HN 0.442 nan 8.150 nan 0.000 0.446 175 G N -0.616 108.147 108.800 -0.061 0.000 2.475 175 G HA2 -0.027 3.933 3.960 0.000 0.000 0.220 175 G HA3 -0.027 3.933 3.960 0.000 0.000 0.220 175 G C 1.493 176.364 174.900 -0.048 0.000 1.125 175 G CA 1.326 46.396 45.100 -0.050 0.000 0.755 175 G HN 0.912 nan 8.290 nan 0.000 0.565 176 A N -0.729 122.054 122.820 -0.061 0.000 2.218 176 A HA 0.477 4.798 4.320 0.000 0.000 0.209 176 A C 1.290 178.848 177.584 -0.044 0.000 1.168 176 A CA 0.419 52.425 52.037 -0.052 0.000 0.804 176 A CB 0.165 19.125 19.000 -0.067 0.000 0.834 176 A HN 0.247 nan 8.150 nan 0.000 0.482 177 L N -0.042 121.154 121.223 -0.045 0.000 3.110 177 L HA 0.188 4.528 4.340 0.000 0.000 0.266 177 L C 1.568 178.420 176.870 -0.031 0.000 1.257 177 L CA 0.611 55.429 54.840 -0.037 0.000 1.038 177 L CB -0.753 41.282 42.059 -0.041 0.000 1.395 177 L HN 0.204 nan 8.230 nan 0.000 0.566 178 T N -1.059 113.477 114.554 -0.029 0.000 2.699 178 T HA -0.212 4.138 4.350 0.000 0.000 0.268 178 T C 1.210 175.897 174.700 -0.022 0.000 1.036 178 T CA 1.898 63.983 62.100 -0.026 0.000 1.147 178 T CB 0.002 68.856 68.868 -0.024 0.000 0.862 178 T HN 0.220 nan 8.240 nan 0.000 0.446 179 D N 0.294 120.682 120.400 -0.019 0.000 2.349 179 D HA 0.118 4.758 4.640 0.000 0.000 0.224 179 D C 1.129 177.419 176.300 -0.016 0.000 1.029 179 D CA 0.233 54.223 54.000 -0.016 0.000 0.879 179 D CB -0.125 40.666 40.800 -0.014 0.000 0.906 179 D HN 0.354 nan 8.370 nan 0.000 0.528 180 L N -0.644 120.568 121.223 -0.018 0.000 2.700 180 L HA 0.214 4.554 4.340 0.000 0.000 0.234 180 L C 0.216 177.076 176.870 -0.017 0.000 1.156 180 L CA -0.224 54.606 54.840 -0.017 0.000 0.946 180 L CB -0.069 41.979 42.059 -0.018 0.000 1.216 180 L HN -0.211 nan 8.230 nan 0.000 0.493 181 S N 0.173 115.863 115.700 -0.018 0.000 3.572 181 S HA -0.078 4.392 4.470 0.000 0.000 0.394 181 S C -2.162 172.426 174.600 -0.020 0.000 0.923 181 S CA -0.415 57.774 58.200 -0.018 0.000 1.291 181 S CB -1.329 61.863 63.200 -0.014 0.000 0.914 181 S HN 0.270 nan 8.310 nan 0.000 0.545 182 P HA 0.529 nan 4.420 nan 0.000 0.269 182 P C -0.488 176.796 177.300 -0.027 0.000 1.215 182 P CA -0.137 62.947 63.100 -0.028 0.000 0.780 182 P CB 0.583 32.263 31.700 -0.034 0.000 0.898 183 A N 2.426 125.229 122.820 -0.027 0.000 2.513 183 A HA 0.591 4.911 4.320 0.000 0.000 0.296 183 A C -2.966 174.600 177.584 -0.030 0.000 1.052 183 A CA -1.533 50.487 52.037 -0.028 0.000 0.714 183 A CB 0.693 19.680 19.000 -0.022 0.000 1.279 183 A HN 0.262 nan 8.150 nan 0.000 0.397 184 P HA 0.379 nan 4.420 nan 0.000 0.265 184 P C 0.020 177.300 177.300 -0.034 0.000 1.187 184 P CA 0.561 63.641 63.100 -0.034 0.000 0.766 184 P CB 0.966 32.644 31.700 -0.037 0.000 0.820 185 A N 2.131 124.932 122.820 -0.031 0.000 2.524 185 A HA 0.825 5.145 4.320 0.000 0.000 0.286 185 A C 0.691 178.259 177.584 -0.026 0.000 1.203 185 A CA -0.123 51.897 52.037 -0.028 0.000 0.736 185 A CB 0.709 19.697 19.000 -0.019 0.000 1.322 185 A HN 0.732 nan 8.150 nan 0.000 0.424 186 G N 0.325 109.113 108.800 -0.020 0.000 2.652 186 G HA2 -0.356 3.604 3.960 0.000 0.000 0.318 186 G HA3 -0.356 3.604 3.960 0.000 0.000 0.318 186 G C 0.466 175.355 174.900 -0.019 0.000 1.295 186 G CA 1.300 46.394 45.100 -0.010 0.000 0.999 186 G HN 0.796 nan 8.290 nan 0.000 0.548 187 D N 0.354 120.748 120.400 -0.009 0.000 2.117 187 D HA -0.044 4.596 4.640 0.000 0.000 0.198 187 D C 2.799 179.087 176.300 -0.019 0.000 0.982 187 D CA 2.377 56.373 54.000 -0.008 0.000 0.828 187 D CB -0.717 40.085 40.800 0.003 0.000 0.967 187 D HN 0.864 nan 8.370 nan 0.000 0.464 188 V N -0.111 119.791 119.914 -0.020 0.000 2.427 188 V HA -0.118 4.002 4.120 0.000 0.000 0.248 188 V C 2.277 178.354 176.094 -0.029 0.000 1.051 188 V CA 1.576 63.866 62.300 -0.015 0.000 1.048 188 V CB -0.599 31.217 31.823 -0.012 0.000 0.666 188 V HN 0.025 nan 8.190 nan 0.000 0.456 189 R N 1.794 122.268 120.500 -0.044 0.000 2.120 189 R HA -0.090 4.250 4.340 0.000 0.000 0.234 189 R C 2.391 178.632 176.300 -0.098 0.000 1.123 189 R CA 1.849 57.909 56.100 -0.066 0.000 0.975 189 R CB -0.126 30.133 30.300 -0.068 0.000 0.866 189 R HN 0.774 nan 8.270 nan 0.000 0.446 190 R N -1.529 118.909 120.500 -0.104 0.000 2.432 190 R HA 0.221 4.561 4.340 0.000 0.000 0.260 190 R C 0.545 176.752 176.300 -0.155 0.000 0.935 190 R CA 0.530 56.536 56.100 -0.156 0.000 1.080 190 R CB 0.616 30.811 30.300 -0.175 0.000 1.155 190 R HN 0.219 nan 8.270 nan 0.000 0.531 191 G N 1.777 110.523 108.800 -0.089 0.000 2.149 191 G HA2 -0.243 3.717 3.960 0.000 0.000 0.235 191 G HA3 -0.243 3.717 3.960 0.000 0.000 0.235 191 G C -0.212 174.670 174.900 -0.030 0.000 1.018 191 G CA -0.148 44.917 45.100 -0.057 0.000 0.728 191 G HN 0.232 nan 8.290 nan 0.000 0.508 192 L N 1.538 122.756 121.223 -0.008 0.000 2.628 192 L HA 0.166 4.506 4.340 0.000 0.000 0.274 192 L C 2.231 179.141 176.870 0.067 0.000 1.209 192 L CA 0.946 55.820 54.840 0.056 0.000 0.930 192 L CB 0.450 42.541 42.059 0.052 0.000 1.183 192 L HN 0.490 nan 8.230 nan 0.000 0.492 193 E N 1.488 121.761 120.200 0.122 0.000 2.171 193 E HA -0.149 4.201 4.350 0.000 0.000 0.197 193 E C 0.218 176.838 176.600 0.033 0.000 0.997 193 E CA 1.196 57.650 56.400 0.088 0.000 0.810 193 E CB -0.391 29.385 29.700 0.128 0.000 0.738 193 E HN 0.594 nan 8.360 nan 0.000 0.467 194 T N 0.566 115.143 114.554 0.039 0.000 2.893 194 T HA 0.538 4.888 4.350 0.000 0.000 0.291 194 T C -1.164 173.541 174.700 0.008 0.000 1.028 194 T CA -0.603 61.504 62.100 0.011 0.000 0.995 194 T CB 2.541 71.418 68.868 0.016 0.000 1.051 194 T HN -0.077 nan 8.240 nan 0.000 0.470 195 V N 3.950 123.855 119.914 -0.014 0.000 2.638 195 V HA 0.353 4.473 4.120 0.000 0.000 0.306 195 V C 1.125 177.206 176.094 -0.022 0.000 1.052 195 V CA -0.855 61.435 62.300 -0.017 0.000 0.885 195 V CB 1.958 33.761 31.823 -0.033 0.000 0.999 195 V HN 0.911 nan 8.190 nan 0.000 0.424 196 R N 3.774 124.269 120.500 -0.009 0.000 2.115 196 R HA 0.453 4.793 4.340 0.000 0.000 0.226 196 R C 0.525 176.815 176.300 -0.018 0.000 1.100 196 R CA 1.108 57.203 56.100 -0.008 0.000 0.980 196 R CB 0.219 30.521 30.300 0.004 0.000 0.875 196 R HN 0.742 nan 8.270 nan 0.000 0.445 197 A N 0.200 123.006 122.820 -0.022 0.000 2.586 197 A HA 0.621 4.941 4.320 0.000 0.000 0.291 197 A C -1.585 175.980 177.584 -0.031 0.000 1.062 197 A CA -0.458 51.563 52.037 -0.027 0.000 0.666 197 A CB 0.878 19.869 19.000 -0.014 0.000 1.281 197 A HN 0.272 nan 8.150 nan 0.000 0.421 198 A N 1.028 123.828 122.820 -0.032 0.000 2.457 198 A HA 0.532 4.852 4.320 0.000 0.000 0.298 198 A C -0.001 177.568 177.584 -0.026 0.000 1.288 198 A CA 0.226 52.244 52.037 -0.031 0.000 0.956 198 A CB -0.660 18.321 19.000 -0.030 0.000 1.135 198 A HN 0.597 nan 8.150 nan 0.000 0.535 199 E N 1.293 121.479 120.200 -0.024 0.000 2.175 199 E HA 0.546 4.896 4.350 0.000 0.000 0.278 199 E C -1.197 175.388 176.600 -0.025 0.000 0.969 199 E CA -0.528 55.859 56.400 -0.021 0.000 0.796 199 E CB 1.675 31.366 29.700 -0.015 0.000 1.104 199 E HN 0.500 nan 8.360 nan 0.000 0.395 200 L N 1.735 122.943 121.223 -0.026 0.000 2.371 200 L HA 0.486 4.827 4.340 0.000 0.000 0.262 200 L C -0.498 176.358 176.870 -0.023 0.000 1.006 200 L CA -0.358 54.465 54.840 -0.029 0.000 0.818 200 L CB 2.457 44.494 42.059 -0.037 0.000 1.354 200 L HN 0.460 nan 8.230 nan 0.000 0.415 201 T N 1.573 116.113 114.554 -0.023 0.000 2.912 201 T HA 0.884 5.234 4.350 0.000 0.000 0.288 201 T C -1.542 173.147 174.700 -0.018 0.000 1.030 201 T CA -0.354 61.736 62.100 -0.018 0.000 1.020 201 T CB 1.312 70.172 68.868 -0.014 0.000 1.056 201 T HN 0.364 nan 8.240 nan 0.000 0.480 202 V N 2.398 122.303 119.914 -0.016 0.000 3.077 202 V HA 0.563 4.683 4.120 0.000 0.000 0.299 202 V C -0.283 175.804 176.094 -0.012 0.000 1.276 202 V CA -0.962 61.328 62.300 -0.016 0.000 0.993 202 V CB 2.632 34.444 31.823 -0.019 0.000 1.076 202 V HN 1.077 nan 8.190 nan 0.000 0.434 203 T N 0.819 115.367 114.554 -0.011 0.000 2.829 203 T HA 0.911 5.261 4.350 0.000 0.000 0.282 203 T C 0.074 174.768 174.700 -0.010 0.000 0.990 203 T CA 0.439 62.533 62.100 -0.009 0.000 1.028 203 T CB 1.398 70.261 68.868 -0.007 0.000 0.951 203 T HN 2.191 nan 8.240 nan 0.000 0.460 204 G N 1.995 110.790 108.800 -0.008 0.000 2.325 204 G HA2 0.374 4.334 3.960 0.000 0.000 0.285 204 G HA3 0.374 4.334 3.960 0.000 0.000 0.285 204 G C -0.387 174.509 174.900 -0.008 0.000 1.303 204 G CA -0.244 44.851 45.100 -0.008 0.000 0.970 204 G HN 1.574 nan 8.290 nan 0.000 0.490 205 T N -1.746 112.803 114.554 -0.007 0.000 2.940 205 T HA 0.720 5.071 4.350 0.000 0.000 0.288 205 T C -1.803 172.893 174.700 -0.007 0.000 1.033 205 T CA -1.230 60.866 62.100 -0.006 0.000 1.033 205 T CB 2.477 71.342 68.868 -0.005 0.000 1.079 205 T HN 0.242 nan 8.240 nan 0.000 0.496 206 P HA -0.048 nan 4.420 nan 0.000 0.222 206 P C 0.783 178.079 177.300 -0.005 0.000 1.142 206 P CA 0.898 63.995 63.100 -0.006 0.000 0.788 206 P CB 0.075 31.772 31.700 -0.005 0.000 0.767 207 D N -0.943 119.454 120.400 -0.005 0.000 2.183 207 D HA -0.096 4.544 4.640 0.000 0.000 0.205 207 D C 1.390 177.687 176.300 -0.006 0.000 0.962 207 D CA 0.848 54.845 54.000 -0.004 0.000 0.849 207 D CB -0.398 40.400 40.800 -0.004 0.000 0.978 207 D HN 0.170 nan 8.370 nan 0.000 0.488 208 D N 0.900 121.296 120.400 -0.007 0.000 2.104 208 D HA -0.112 4.528 4.640 0.000 0.000 0.194 208 D C 2.319 178.613 176.300 -0.011 0.000 0.994 208 D CA 0.628 54.623 54.000 -0.009 0.000 0.830 208 D CB -0.164 40.631 40.800 -0.009 0.000 0.959 208 D HN 0.076 nan 8.370 nan 0.000 0.452 209 V N 0.938 120.845 119.914 -0.012 0.000 2.427 209 V HA -0.171 3.949 4.120 0.000 0.000 0.248 209 V C 2.353 178.440 176.094 -0.012 0.000 1.051 209 V CA 0.814 63.105 62.300 -0.015 0.000 1.048 209 V CB -0.254 31.560 31.823 -0.015 0.000 0.666 209 V HN 0.123 nan 8.190 nan 0.000 0.456 210 L N 0.426 121.644 121.223 -0.008 0.000 2.362 210 L HA 0.059 4.399 4.340 0.000 0.000 0.219 210 L C 2.330 179.198 176.870 -0.003 0.000 1.134 210 L CA 1.806 56.644 54.840 -0.004 0.000 0.807 210 L CB -1.012 41.045 42.059 -0.002 0.000 0.927 210 L HN 0.289 nan 8.230 nan 0.000 0.447 211 A N -0.965 121.852 122.820 -0.005 0.000 2.072 211 A HA -0.037 4.283 4.320 0.000 0.000 0.216 211 A C 2.200 179.780 177.584 -0.006 0.000 1.156 211 A CA 0.613 52.647 52.037 -0.004 0.000 0.701 211 A CB -0.176 18.821 19.000 -0.005 0.000 0.816 211 A HN 0.437 nan 8.150 nan 0.000 0.458 212 R N -1.114 119.380 120.500 -0.010 0.000 2.279 212 R HA 0.353 4.694 4.340 0.000 0.000 0.195 212 R C -0.453 175.838 176.300 -0.015 0.000 0.905 212 R CA 0.172 56.263 56.100 -0.014 0.000 1.044 212 R CB 0.117 30.405 30.300 -0.020 0.000 1.056 212 R HN 0.341 nan 8.270 nan 0.000 0.535 213 L N 2.298 123.513 121.223 -0.014 0.000 2.470 213 L HA 0.344 4.684 4.340 0.000 0.000 0.253 213 L C -2.155 174.717 176.870 0.003 0.000 1.163 213 L CA -1.716 53.118 54.840 -0.009 0.000 0.932 213 L CB 2.153 44.197 42.059 -0.025 0.000 1.213 213 L HN -0.222 nan 8.230 nan 0.000 0.485 214 P HA -0.118 nan 4.420 nan 0.000 0.223 214 P C 0.981 178.291 177.300 0.017 0.000 1.151 214 P CA 0.989 64.096 63.100 0.011 0.000 0.787 214 P CB 0.392 32.099 31.700 0.013 0.000 0.788 215 E N -0.013 120.203 120.200 0.027 0.000 2.058 215 E HA -0.127 4.224 4.350 0.000 0.000 0.194 215 E C 0.814 177.429 176.600 0.026 0.000 0.997 215 E CA 0.495 56.916 56.400 0.034 0.000 0.801 215 E CB -0.856 28.882 29.700 0.063 0.000 0.746 215 E HN 0.224 nan 8.360 nan 0.000 0.450 216 L N 1.117 122.354 121.223 0.022 0.000 2.472 216 L HA 0.037 4.377 4.340 0.000 0.000 0.273 216 L C 0.300 177.177 176.870 0.010 0.000 1.254 216 L CA 0.280 55.129 54.840 0.016 0.000 0.823 216 L CB 0.113 42.177 42.059 0.008 0.000 1.096 216 L HN 0.029 nan 8.230 nan 0.000 0.521 217 T N 0.475 115.034 114.554 0.008 0.000 2.848 217 T HA 0.379 4.729 4.350 0.000 0.000 0.285 217 T C -0.433 174.269 174.700 0.003 0.000 0.995 217 T CA -0.497 61.606 62.100 0.006 0.000 0.970 217 T CB 1.761 70.633 68.868 0.006 0.000 0.976 217 T HN 0.227 nan 8.240 nan 0.000 0.441 218 V N 4.643 124.558 119.914 0.002 0.000 2.521 218 V HA 0.145 4.265 4.120 0.000 0.000 0.286 218 V C 0.865 176.960 176.094 0.001 0.000 1.034 218 V CA -0.118 62.183 62.300 0.000 0.000 1.045 218 V CB 0.900 32.722 31.823 -0.000 0.000 0.974 218 V HN 0.821 nan 8.190 nan 0.000 0.480 219 Q N 3.217 123.017 119.800 -0.000 0.000 2.198 219 Q HA 0.299 4.639 4.340 0.000 0.000 0.209 219 Q C 1.065 177.064 176.000 -0.001 0.000 0.848 219 Q CA 0.517 56.320 55.803 0.000 0.000 0.974 219 Q CB 0.687 29.425 28.738 0.000 0.000 1.115 219 Q HN 1.122 nan 8.270 nan 0.000 0.494 220 G N 2.395 111.194 108.800 -0.001 0.000 2.749 220 G HA2 -0.297 3.663 3.960 0.000 0.000 0.242 220 G HA3 -0.297 3.663 3.960 0.000 0.000 0.242 220 G C -0.268 174.630 174.900 -0.003 0.000 1.364 220 G CA -0.138 44.961 45.100 -0.002 0.000 0.888 220 G HN 0.335 nan 8.290 nan 0.000 0.566 221 D N -1.560 118.838 120.400 -0.004 0.000 3.076 221 D HA -0.095 4.545 4.640 0.000 0.000 0.218 221 D C 1.690 177.987 176.300 -0.005 0.000 1.156 221 D CA 2.951 56.948 54.000 -0.005 0.000 0.921 221 D CB -1.568 39.230 40.800 -0.005 0.000 1.113 221 D HN 2.568 nan 8.370 nan 0.000 0.418 222 G N -1.309 107.488 108.800 -0.005 0.000 2.198 222 G HA2 -0.221 3.739 3.960 0.000 0.000 0.260 222 G HA3 -0.221 3.739 3.960 0.000 0.000 0.260 222 G C 0.186 175.082 174.900 -0.006 0.000 1.025 222 G CA 0.446 45.542 45.100 -0.006 0.000 0.769 222 G HN 0.664 nan 8.290 nan 0.000 0.507 223 V N -0.031 119.880 119.914 -0.005 0.000 2.680 223 V HA 0.827 4.947 4.120 0.000 0.000 0.309 223 V C 0.050 176.141 176.094 -0.004 0.000 1.052 223 V CA -0.945 61.352 62.300 -0.005 0.000 0.908 223 V CB 1.903 33.723 31.823 -0.004 0.000 1.001 223 V HN 0.293 nan 8.190 nan 0.000 0.431 224 L N 3.408 124.628 121.223 -0.005 0.000 2.354 224 L HA 0.892 5.232 4.340 0.000 0.000 0.269 224 L C 0.058 176.927 176.870 -0.002 0.000 1.005 224 L CA -0.028 54.810 54.840 -0.003 0.000 0.819 224 L CB 2.232 44.288 42.059 -0.004 0.000 1.311 224 L HN 0.841 nan 8.230 nan 0.000 0.423 225 S N -0.396 115.305 115.700 0.002 0.000 2.651 225 S HA 1.036 5.506 4.470 0.000 0.000 0.279 225 S C -0.472 174.134 174.600 0.011 0.000 1.148 225 S CA -0.064 58.139 58.200 0.005 0.000 0.837 225 S CB 2.286 65.489 63.200 0.004 0.000 1.138 225 S HN 1.150 nan 8.310 nan 0.000 0.478 226 G N -0.120 108.690 108.800 0.016 0.000 2.364 226 G HA2 0.471 4.431 3.960 0.000 0.000 0.286 226 G HA3 0.471 4.431 3.960 0.000 0.000 0.286 226 G C -2.359 172.561 174.900 0.034 0.000 1.241 226 G CA -0.383 44.732 45.100 0.026 0.000 0.887 226 G HN 0.877 nan 8.290 nan 0.000 0.484 227 D N -1.387 119.044 120.400 0.051 0.000 2.616 227 D HA 0.472 5.112 4.640 0.000 0.000 0.238 227 D C -1.894 174.464 176.300 0.097 0.000 1.354 227 D CA -0.319 53.712 54.000 0.052 0.000 0.970 227 D CB 1.392 42.199 40.800 0.012 0.000 1.369 227 D HN 0.416 nan 8.370 nan 0.000 0.585 228 Y N 3.435 123.728 120.300 -0.012 0.000 2.504 228 Y HA 0.276 4.826 4.550 0.000 0.000 0.339 228 Y C 0.039 175.950 175.900 0.017 0.000 0.974 228 Y CA -0.468 57.630 58.100 -0.003 0.000 1.232 228 Y CB 0.357 38.814 38.460 -0.006 0.000 1.108 228 Y HN 0.526 nan 8.280 nan 0.000 0.509 229 E N 4.135 124.113 120.200 -0.370 0.000 2.297 229 E HA -0.288 4.062 4.350 0.000 0.000 0.228 229 E C 1.136 177.745 176.600 0.014 0.000 1.213 229 E CA 0.804 57.056 56.400 -0.246 0.000 0.712 229 E CB -1.308 28.184 29.700 -0.347 0.000 1.202 229 E HN 1.195 nan 8.360 nan 0.000 0.376 230 G N -1.628 107.175 108.800 0.006 0.000 2.253 230 G HA2 -0.354 3.606 3.960 0.000 0.000 0.251 230 G HA3 -0.354 3.606 3.960 0.000 0.000 0.251 230 G C 0.375 175.312 174.900 0.062 0.000 0.998 230 G CA 0.064 45.213 45.100 0.083 0.000 0.621 230 G HN 0.436 nan 8.290 nan 0.000 0.524 231 V N 3.138 123.066 119.914 0.022 0.000 2.368 231 V HA 0.437 4.557 4.120 0.000 0.000 0.266 231 V C -1.681 174.415 176.094 0.003 0.000 1.045 231 V CA -1.535 60.734 62.300 -0.052 0.000 0.899 231 V CB 1.338 33.106 31.823 -0.091 0.000 1.006 231 V HN 0.121 nan 8.190 nan 0.000 0.470 232 P HA 0.147 nan 4.420 nan 0.000 0.266 232 P C -0.652 176.651 177.300 0.005 0.000 1.195 232 P CA 0.216 63.317 63.100 0.002 0.000 0.768 232 P CB 0.670 32.366 31.700 -0.007 0.000 0.838 233 V N 3.803 123.726 119.914 0.015 0.000 2.656 233 V HA 0.370 4.490 4.120 0.000 0.000 0.307 233 V C -0.117 175.977 176.094 0.001 0.000 1.051 233 V CA -0.448 61.857 62.300 0.008 0.000 0.893 233 V CB 2.076 33.911 31.823 0.020 0.000 0.999 233 V HN 0.486 nan 8.190 nan 0.000 0.426 234 E N 4.498 124.694 120.200 -0.008 0.000 2.246 234 E HA 0.603 4.953 4.350 0.000 0.000 0.266 234 E C -1.473 175.119 176.600 -0.014 0.000 0.880 234 E CA -0.507 55.888 56.400 -0.008 0.000 0.762 234 E CB 2.820 32.517 29.700 -0.006 0.000 1.180 234 E HN 0.514 nan 8.360 nan 0.000 0.416 235 I N 2.276 122.838 120.570 -0.013 0.000 2.418 235 I HA 0.500 4.670 4.170 0.000 0.000 0.287 235 I C -0.530 175.579 176.117 -0.013 0.000 1.008 235 I CA -0.727 60.563 61.300 -0.017 0.000 1.104 235 I CB 1.751 39.738 38.000 -0.022 0.000 1.264 235 I HN 0.476 nan 8.210 nan 0.000 0.438 236 A N 6.021 128.833 122.820 -0.013 0.000 2.318 236 A HA 0.793 5.113 4.320 0.000 0.000 0.324 236 A C -0.343 177.234 177.584 -0.011 0.000 1.170 236 A CA -0.477 51.554 52.037 -0.010 0.000 0.810 236 A CB 0.869 19.864 19.000 -0.009 0.000 1.198 236 A HN 0.883 nan 8.150 nan 0.000 0.484 237 C N 0.255 119.549 119.300 -0.010 0.000 2.771 237 C HA 1.058 5.518 4.460 0.000 0.000 0.333 237 C C 0.218 175.203 174.990 -0.009 0.000 1.267 237 C CA -0.230 58.782 59.018 -0.010 0.000 1.721 237 C CB 0.828 28.562 27.740 -0.010 0.000 2.222 237 C HN 1.831 nan 8.230 nan 0.000 0.485 238 A N 0.421 123.236 122.820 -0.008 0.000 2.608 238 A HA 0.899 5.219 4.320 0.000 0.000 0.292 238 A C -3.336 174.244 177.584 -0.006 0.000 1.066 238 A CA -0.977 51.056 52.037 -0.007 0.000 0.676 238 A CB 0.259 19.254 19.000 -0.008 0.000 1.277 238 A HN 0.634 nan 8.150 nan 0.000 0.413 239 P HA 0.332 nan 4.420 nan 0.000 0.269 239 P C 1.049 178.347 177.300 -0.003 0.000 1.215 239 P CA 0.648 63.746 63.100 -0.004 0.000 0.780 239 P CB 0.791 32.489 31.700 -0.003 0.000 0.898 240 A N 2.496 125.314 122.820 -0.003 0.000 1.986 240 A HA -0.229 4.092 4.320 0.000 0.000 0.220 240 A C 1.702 179.286 177.584 0.000 0.000 1.171 240 A CA 1.644 53.680 52.037 -0.002 0.000 0.640 240 A CB -0.889 18.110 19.000 -0.002 0.000 0.811 240 A HN 0.515 nan 8.150 nan 0.000 0.451 241 E N -0.784 119.416 120.200 0.000 0.000 2.435 241 E HA 0.119 4.469 4.350 0.000 0.000 0.195 241 E C 1.687 178.287 176.600 0.000 0.000 1.029 241 E CA 0.917 57.318 56.400 0.002 0.000 0.865 241 E CB -0.156 29.546 29.700 0.002 0.000 0.833 241 E HN 0.626 nan 8.360 nan 0.000 0.510 242 A N 0.672 123.491 122.820 -0.002 0.000 2.288 242 A HA 0.092 4.412 4.320 0.000 0.000 0.216 242 A C 1.946 179.526 177.584 -0.007 0.000 1.199 242 A CA 0.206 52.240 52.037 -0.007 0.000 0.891 242 A CB 0.057 19.053 19.000 -0.007 0.000 0.923 242 A HN 0.023 nan 8.150 nan 0.000 0.500 243 R N 0.933 121.431 120.500 -0.003 0.000 2.119 243 R HA -0.151 4.189 4.340 0.000 0.000 0.246 243 R C 1.970 178.271 176.300 0.002 0.000 1.146 243 R CA 2.524 58.624 56.100 -0.001 0.000 0.962 243 R CB -1.385 28.916 30.300 0.002 0.000 0.863 243 R HN 0.336 nan 8.270 nan 0.000 0.442 244 G N -0.684 108.121 108.800 0.007 0.000 2.469 244 G HA2 -0.264 3.696 3.960 0.000 0.000 0.220 244 G HA3 -0.264 3.696 3.960 0.000 0.000 0.220 244 G C 1.553 176.446 174.900 -0.012 0.000 1.136 244 G CA 1.038 46.147 45.100 0.015 0.000 0.759 244 G HN 0.551 nan 8.290 nan 0.000 0.562 245 A N 0.165 122.967 122.820 -0.031 0.000 1.898 245 A HA 0.217 4.537 4.320 0.000 0.000 0.214 245 A C 2.319 179.881 177.584 -0.038 0.000 1.183 245 A CA 1.418 53.421 52.037 -0.055 0.000 0.622 245 A CB -0.395 18.571 19.000 -0.057 0.000 0.824 245 A HN 0.412 nan 8.150 nan 0.000 0.444 246 L N 0.249 121.459 121.223 -0.022 0.000 2.042 246 L HA -0.207 4.133 4.340 0.000 0.000 0.210 246 L C 1.557 178.424 176.870 -0.006 0.000 1.076 246 L CA 2.535 57.366 54.840 -0.014 0.000 0.749 246 L CB -0.545 41.508 42.059 -0.010 0.000 0.893 246 L HN 0.328 nan 8.230 nan 0.000 0.432 247 D N -0.698 119.702 120.400 -0.001 0.000 2.144 247 D HA -0.163 4.478 4.640 0.000 0.000 0.200 247 D C 2.341 178.653 176.300 0.020 0.000 0.978 247 D CA 1.364 55.368 54.000 0.008 0.000 0.833 247 D CB -0.168 40.643 40.800 0.017 0.000 0.961 247 D HN 0.364 nan 8.370 nan 0.000 0.470 248 L N 0.058 121.294 121.223 0.022 0.000 2.027 248 L HA -0.113 4.227 4.340 0.000 0.000 0.206 248 L C 2.466 179.403 176.870 0.111 0.000 1.074 248 L CA 0.720 55.613 54.840 0.087 0.000 0.745 248 L CB -0.333 41.718 42.059 -0.014 0.000 0.898 248 L HN 0.050 nan 8.230 nan 0.000 0.433 249 L N -0.505 120.729 121.223 0.019 0.000 2.131 249 L HA -0.138 4.202 4.340 0.000 0.000 0.210 249 L C 1.574 178.464 176.870 0.032 0.000 1.092 249 L CA 0.770 55.612 54.840 0.004 0.000 0.759 249 L CB -0.305 41.737 42.059 -0.028 0.000 0.903 249 L HN 0.220 nan 8.230 nan 0.000 0.435 250 R N -0.664 119.853 120.500 0.028 0.000 3.081 250 R HA 0.182 4.522 4.340 0.000 0.000 0.280 250 R C 1.333 177.648 176.300 0.025 0.000 1.372 250 R CA 0.033 56.146 56.100 0.022 0.000 1.242 250 R CB 0.115 30.418 30.300 0.005 0.000 1.316 250 R HN 0.161 nan 8.270 nan 0.000 0.585 251 S N -0.674 115.062 115.700 0.061 0.000 2.404 251 S HA 0.141 4.611 4.470 0.000 0.000 0.223 251 S C 1.314 175.927 174.600 0.021 0.000 1.040 251 S CA 1.139 59.353 58.200 0.024 0.000 0.957 251 S CB 0.531 63.742 63.200 0.018 0.000 0.826 251 S HN 0.638 nan 8.310 nan 0.000 0.491 252 G N 0.113 108.961 108.800 0.080 0.000 3.249 252 G HA2 0.190 4.150 3.960 0.000 0.000 0.143 252 G HA3 0.190 4.150 3.960 0.000 0.000 0.143 252 G C 0.388 175.376 174.900 0.147 0.000 1.393 252 G CA 0.127 45.303 45.100 0.126 0.000 1.216 252 G HN 0.257 nan 8.290 nan 0.000 0.728 253 E N -0.050 120.209 120.200 0.099 0.000 2.351 253 E HA -0.447 3.903 4.350 0.000 0.000 0.249 253 E C 1.939 178.600 176.600 0.102 0.000 1.062 253 E CA 2.532 58.983 56.400 0.086 0.000 1.066 253 E CB -0.425 29.324 29.700 0.083 0.000 0.955 253 E HN 0.576 nan 8.360 nan 0.000 0.504 254 H N -0.668 118.450 119.070 0.081 0.000 2.319 254 H HA -0.174 4.382 4.556 0.000 0.000 0.299 254 H C 1.927 177.314 175.328 0.097 0.000 1.092 254 H CA 2.188 58.288 56.048 0.086 0.000 1.302 254 H CB -0.419 29.410 29.762 0.111 0.000 1.373 254 H HN 0.244 nan 8.280 nan 0.000 0.497 255 F N 0.866 120.809 119.950 -0.012 0.000 2.146 255 F HA -0.062 4.465 4.527 0.000 0.000 0.298 255 F C 2.504 178.226 175.800 -0.131 0.000 1.096 255 F CA 1.404 59.351 58.000 -0.089 0.000 1.275 255 F CB -0.955 38.032 39.000 -0.022 0.000 1.008 255 F HN 0.308 nan 8.300 nan 0.000 0.480 256 A N 0.591 123.348 122.820 -0.106 0.000 1.892 256 A HA -0.158 4.162 4.320 0.000 0.000 0.218 256 A C 2.528 179.948 177.584 -0.272 0.000 1.188 256 A CA 2.027 53.946 52.037 -0.198 0.000 0.631 256 A CB -1.879 17.091 19.000 -0.051 0.000 0.822 256 A HN 0.523 nan 8.150 nan 0.000 0.447 257 G N -1.385 107.286 108.800 -0.215 0.000 2.440 257 G HA2 -0.235 3.725 3.960 0.000 0.000 0.218 257 G HA3 -0.235 3.725 3.960 0.000 0.000 0.218 257 G C 1.605 176.345 174.900 -0.267 0.000 1.154 257 G CA 0.972 45.952 45.100 -0.201 0.000 0.767 257 G HN 0.559 nan 8.290 nan 0.000 0.552 258 Q N -0.253 119.317 119.800 -0.383 0.000 2.061 258 Q HA -0.071 4.269 4.340 0.000 0.000 0.204 258 Q C 2.781 178.552 176.000 -0.382 0.000 0.984 258 Q CA 1.412 56.993 55.803 -0.370 0.000 0.846 258 Q CB -0.692 27.802 28.738 -0.406 0.000 0.902 258 Q HN 0.394 nan 8.270 nan 0.000 0.421 259 V N 0.668 120.221 119.914 -0.603 0.000 2.719 259 V HA -0.217 3.903 4.120 0.000 0.000 0.252 259 V C 2.050 177.946 176.094 -0.330 0.000 1.065 259 V CA 1.443 63.412 62.300 -0.552 0.000 1.086 259 V CB -0.099 31.216 31.823 -0.846 0.000 0.700 259 V HN 0.359 nan 8.190 nan 0.000 0.467 260 Q N -0.450 119.186 119.800 -0.274 0.000 2.049 260 Q HA -0.092 4.248 4.340 0.000 0.000 0.198 260 Q C 2.397 178.329 176.000 -0.114 0.000 0.971 260 Q CA 1.628 57.332 55.803 -0.165 0.000 0.833 260 Q CB -0.366 28.290 28.738 -0.136 0.000 0.896 260 Q HN 0.708 nan 8.270 nan 0.000 0.434 261 A N 1.154 123.900 122.820 -0.122 0.000 1.917 261 A HA -0.227 4.093 4.320 0.000 0.000 0.219 261 A C 2.270 179.822 177.584 -0.054 0.000 1.182 261 A CA 1.857 53.847 52.037 -0.078 0.000 0.633 261 A CB -0.903 18.047 19.000 -0.083 0.000 0.819 261 A HN 0.429 nan 8.150 nan 0.000 0.448 262 A N -0.501 122.271 122.820 -0.080 0.000 1.930 262 A HA 0.203 4.523 4.320 0.000 0.000 0.217 262 A C 2.469 180.050 177.584 -0.006 0.000 1.175 262 A CA 2.015 54.026 52.037 -0.042 0.000 0.627 262 A CB -0.872 18.086 19.000 -0.069 0.000 0.815 262 A HN 1.024 nan 8.150 nan 0.000 0.443 263 A N -0.798 122.002 122.820 -0.033 0.000 1.872 263 A HA -0.155 4.165 4.320 0.000 0.000 0.214 263 A C 2.110 179.781 177.584 0.145 0.000 1.187 263 A CA 1.601 53.666 52.037 0.047 0.000 0.614 263 A CB -0.582 18.404 19.000 -0.024 0.000 0.826 263 A HN 0.571 nan 8.150 nan 0.000 0.442 264 Q N -0.570 119.264 119.800 0.058 0.000 2.124 264 Q HA -0.073 4.267 4.340 0.000 0.000 0.202 264 Q C 2.144 178.167 176.000 0.038 0.000 0.977 264 Q CA 1.379 57.207 55.803 0.042 0.000 0.850 264 Q CB -0.391 28.351 28.738 0.006 0.000 0.901 264 Q HN 0.675 nan 8.270 nan 0.000 0.429 265 A N 0.428 123.272 122.820 0.039 0.000 2.225 265 A HA -0.120 4.200 4.320 0.000 0.000 0.215 265 A C 1.364 178.980 177.584 0.054 0.000 1.164 265 A CA 0.961 53.019 52.037 0.035 0.000 0.710 265 A CB -0.049 18.969 19.000 0.031 0.000 0.780 265 A HN 0.200 nan 8.150 nan 0.000 0.473 266 R N -2.387 118.173 120.500 0.100 0.000 2.549 266 R HA 0.319 4.659 4.340 0.000 0.000 0.344 266 R C 1.020 177.282 176.300 -0.063 0.000 0.979 266 R CA 0.510 56.684 56.100 0.124 0.000 1.140 266 R CB 0.563 31.056 30.300 0.321 0.000 1.377 266 R HN 0.550 nan 8.270 nan 0.000 0.541 267 G N 0.525 109.267 108.800 -0.097 0.000 2.175 267 G HA2 -0.275 3.685 3.960 0.000 0.000 0.244 267 G HA3 -0.275 3.685 3.960 0.000 0.000 0.244 267 G C -0.019 174.672 174.900 -0.349 0.000 0.982 267 G CA -0.309 44.636 45.100 -0.259 0.000 0.641 267 G HN 0.169 nan 8.290 nan 0.000 0.527 268 F N 0.839 120.776 119.950 -0.022 0.000 2.408 268 F HA 0.694 5.221 4.527 0.000 0.000 0.325 268 F C 0.831 176.609 175.800 -0.036 0.000 1.082 268 F CA -0.359 57.624 58.000 -0.027 0.000 1.032 268 F CB 1.779 40.759 39.000 -0.033 0.000 1.259 268 F HN -0.098 nan 8.300 nan 0.000 0.503 269 T N 3.218 117.871 114.554 0.165 0.000 2.833 269 T HA 0.359 4.709 4.350 0.000 0.000 0.297 269 T C -0.699 174.029 174.700 0.047 0.000 1.015 269 T CA -0.483 61.660 62.100 0.071 0.000 0.963 269 T CB 0.546 69.434 68.868 0.033 0.000 0.955 269 T HN 0.360 nan 8.240 nan 0.000 0.449 270 L N 3.833 125.059 121.223 0.004 0.000 2.264 270 L HA 0.591 4.931 4.340 0.000 0.000 0.289 270 L C -0.222 176.623 176.870 -0.043 0.000 1.044 270 L CA 0.054 54.869 54.840 -0.041 0.000 0.807 270 L CB 0.995 42.995 42.059 -0.098 0.000 1.192 270 L HN 0.644 nan 8.230 nan 0.000 0.425 271 T N 2.119 116.652 114.554 -0.036 0.000 2.864 271 T HA 0.304 4.654 4.350 0.000 0.000 0.299 271 T C 0.804 175.486 174.700 -0.030 0.000 1.166 271 T CA 0.035 62.117 62.100 -0.030 0.000 1.007 271 T CB 1.925 70.783 68.868 -0.017 0.000 1.219 271 T HN 0.603 nan 8.240 nan 0.000 0.506 272 A N 0.733 123.538 122.820 -0.025 0.000 2.076 272 A HA 0.089 4.409 4.320 0.000 0.000 0.220 272 A C 2.123 179.697 177.584 -0.016 0.000 1.160 272 A CA 2.016 54.041 52.037 -0.021 0.000 0.653 272 A CB -0.967 18.024 19.000 -0.016 0.000 0.801 272 A HN 0.920 nan 8.150 nan 0.000 0.455 273 G N -1.782 107.010 108.800 -0.013 0.000 2.650 273 G HA2 0.432 4.392 3.960 0.000 0.000 0.214 273 G HA3 0.432 4.392 3.960 0.000 0.000 0.214 273 G C 0.781 175.677 174.900 -0.008 0.000 1.136 273 G CA 0.770 45.865 45.100 -0.009 0.000 0.789 273 G HN 1.586 nan 8.290 nan 0.000 0.536 274 G N -1.233 107.560 108.800 -0.013 0.000 2.347 274 G HA2 0.261 4.221 3.960 0.000 0.000 0.341 274 G HA3 0.261 4.221 3.960 0.000 0.000 0.341 274 G C -1.704 173.188 174.900 -0.013 0.000 1.287 274 G CA -0.547 44.545 45.100 -0.013 0.000 0.984 274 G HN 0.677 nan 8.290 nan 0.000 0.526 275 L N 1.320 122.537 121.223 -0.011 0.000 2.282 275 L HA 0.826 5.166 4.340 0.000 0.000 0.288 275 L C 0.705 177.612 176.870 0.062 0.000 1.033 275 L CA 0.358 55.200 54.840 0.002 0.000 0.807 275 L CB 1.350 43.377 42.059 -0.055 0.000 1.209 275 L HN 1.484 nan 8.230 nan 0.000 0.423 276 S N 4.635 120.401 115.700 0.111 0.000 2.704 276 S HA 0.775 5.245 4.470 0.000 0.000 0.296 276 S C -0.521 174.183 174.600 0.172 0.000 1.138 276 S CA -0.923 57.347 58.200 0.117 0.000 0.875 276 S CB 1.824 65.058 63.200 0.057 0.000 1.151 276 S HN 0.701 nan 8.310 nan 0.000 0.500 277 R N 0.173 120.717 120.500 0.073 0.000 3.101 277 R HA 0.457 4.797 4.340 0.000 0.000 0.242 277 R C 0.770 177.037 176.300 -0.054 0.000 1.831 277 R CA 0.641 56.716 56.100 -0.042 0.000 1.321 277 R CB 0.080 30.309 30.300 -0.118 0.000 1.512 277 R HN 1.543 nan 8.270 nan 0.000 0.568 278 G N 2.953 111.726 108.800 -0.045 0.000 2.601 278 G HA2 -0.438 3.522 3.960 0.000 0.000 0.306 278 G HA3 -0.438 3.522 3.960 0.000 0.000 0.306 278 G C 0.537 175.427 174.900 -0.016 0.000 1.172 278 G CA 0.729 45.808 45.100 -0.035 0.000 0.966 278 G HN 0.554 nan 8.290 nan 0.000 0.542 279 D N 1.972 122.362 120.400 -0.016 0.000 2.117 279 D HA 0.111 4.752 4.640 0.000 0.000 0.198 279 D C 1.385 177.687 176.300 0.004 0.000 0.982 279 D CA 1.152 55.148 54.000 -0.006 0.000 0.828 279 D CB -0.213 40.582 40.800 -0.007 0.000 0.967 279 D HN 0.675 nan 8.370 nan 0.000 0.464 280 E N 0.208 120.412 120.200 0.006 0.000 2.480 280 E HA 0.109 4.459 4.350 0.000 0.000 0.258 280 E C -0.642 175.983 176.600 0.041 0.000 0.984 280 E CA 0.108 56.523 56.400 0.025 0.000 0.930 280 E CB 1.413 31.133 29.700 0.033 0.000 0.936 280 E HN -0.136 nan 8.360 nan 0.000 0.466 281 V N 6.057 125.994 119.914 0.038 0.000 2.284 281 V HA 0.164 4.284 4.120 0.000 0.000 0.274 281 V C -0.129 175.990 176.094 0.043 0.000 1.023 281 V CA -0.521 61.803 62.300 0.040 0.000 0.808 281 V CB 0.441 32.279 31.823 0.024 0.000 1.035 281 V HN 0.497 nan 8.190 nan 0.000 0.445 282 L N 6.766 128.024 121.223 0.059 0.000 2.331 282 L HA 0.394 4.734 4.340 0.000 0.000 0.278 282 L C -2.168 174.717 176.870 0.025 0.000 1.106 282 L CA -1.682 53.187 54.840 0.049 0.000 0.824 282 L CB 0.496 42.596 42.059 0.068 0.000 1.142 282 L HN 0.349 nan 8.230 nan 0.000 0.443 283 P HA 0.055 nan 4.420 nan 0.000 0.267 283 P C -0.479 176.826 177.300 0.008 0.000 1.205 283 P CA 0.104 63.211 63.100 0.011 0.000 0.765 283 P CB 0.553 32.259 31.700 0.011 0.000 0.828 284 T N 5.404 119.960 114.554 0.003 0.000 3.317 284 T HA 0.270 4.620 4.350 0.000 0.000 0.361 284 T C -2.050 172.655 174.700 0.008 0.000 1.499 284 T CA -0.985 61.116 62.100 0.001 0.000 1.529 284 T CB 0.814 69.671 68.868 -0.019 0.000 0.997 284 T HN 0.229 nan 8.240 nan 0.000 0.624 285 P HA 0.122 nan 4.420 nan 0.000 0.224 285 P C 0.358 177.676 177.300 0.029 0.000 1.157 285 P CA 0.634 63.745 63.100 0.017 0.000 0.799 285 P CB 0.406 32.115 31.700 0.015 0.000 0.809 286 T N -1.146 113.437 114.554 0.049 0.000 2.903 286 T HA 0.177 4.527 4.350 0.000 0.000 0.299 286 T C 0.755 175.527 174.700 0.120 0.000 1.093 286 T CA -0.571 61.576 62.100 0.079 0.000 1.002 286 T CB 2.178 71.097 68.868 0.085 0.000 1.127 286 T HN -0.085 nan 8.240 nan 0.000 0.488 287 E N 1.205 121.505 120.200 0.168 0.000 2.065 287 E HA -0.253 4.097 4.350 0.000 0.000 0.201 287 E C 2.332 179.180 176.600 0.414 0.000 1.016 287 E CA 1.479 58.025 56.400 0.243 0.000 0.818 287 E CB -0.192 29.720 29.700 0.353 0.000 0.749 287 E HN 0.704 nan 8.360 nan 0.000 0.453 288 A N 0.975 124.101 122.820 0.511 0.000 1.948 288 A HA -0.203 4.117 4.320 0.000 0.000 0.220 288 A C 2.514 180.375 177.584 0.461 0.000 1.177 288 A CA 1.630 53.993 52.037 0.543 0.000 0.636 288 A CB -0.735 18.426 19.000 0.268 0.000 0.815 288 A HN 0.147 nan 8.150 nan 0.000 0.449 289 V N -0.505 119.587 119.914 0.297 0.000 2.427 289 V HA -0.216 3.904 4.120 0.000 0.000 0.248 289 V C 2.531 178.711 176.094 0.143 0.000 1.051 289 V CA 1.854 64.285 62.300 0.219 0.000 1.048 289 V CB -0.835 31.050 31.823 0.103 0.000 0.666 289 V HN 0.389 nan 8.190 nan 0.000 0.456 290 V N -0.598 119.344 119.914 0.046 0.000 2.343 290 V HA -0.251 3.869 4.120 0.000 0.000 0.247 290 V C 2.193 178.190 176.094 -0.162 0.000 1.051 290 V CA 2.155 64.376 62.300 -0.133 0.000 1.036 290 V CB -0.821 30.843 31.823 -0.266 0.000 0.654 290 V HN 0.435 nan 8.190 nan 0.000 0.451 291 F N -0.076 119.871 119.950 -0.004 0.000 2.134 291 F HA -0.196 4.331 4.527 0.000 0.000 0.299 291 F C 2.476 178.249 175.800 -0.045 0.000 1.097 291 F CA 2.191 60.168 58.000 -0.039 0.000 1.264 291 F CB -0.609 38.383 39.000 -0.013 0.000 1.001 291 F HN 0.203 nan 8.300 nan 0.000 0.479 292 H N -0.859 118.338 119.070 0.211 0.000 2.352 292 H HA -0.134 4.422 4.556 0.000 0.000 0.299 292 H C 2.247 177.598 175.328 0.039 0.000 1.097 292 H CA 1.205 57.325 56.048 0.120 0.000 1.311 292 H CB -0.254 29.566 29.762 0.097 0.000 1.377 292 H HN 0.249 nan 8.280 nan 0.000 0.504 293 A N 0.404 123.273 122.820 0.081 0.000 2.015 293 A HA -0.060 4.260 4.320 0.000 0.000 0.219 293 A C 1.854 179.302 177.584 -0.227 0.000 1.163 293 A CA 1.023 53.013 52.037 -0.079 0.000 0.646 293 A CB -0.267 18.615 19.000 -0.197 0.000 0.806 293 A HN 0.360 nan 8.150 nan 0.000 0.448 294 L N -0.994 120.100 121.223 -0.216 0.000 2.628 294 L HA 0.118 4.458 4.340 0.000 0.000 0.229 294 L C -0.308 176.575 176.870 0.022 0.000 1.137 294 L CA -0.147 54.579 54.840 -0.189 0.000 0.909 294 L CB -0.328 41.594 42.059 -0.228 0.000 1.137 294 L HN 0.168 nan 8.230 nan 0.000 0.470 295 D N 1.400 121.840 120.400 0.068 0.000 2.686 295 D HA -0.166 4.474 4.640 0.000 0.000 0.235 295 D C -0.589 175.780 176.300 0.114 0.000 1.160 295 D CA 0.853 54.916 54.000 0.105 0.000 0.645 295 D CB -0.483 40.382 40.800 0.109 0.000 1.039 295 D HN -0.000 nan 8.370 nan 0.000 0.423 296 L N 0.610 121.922 121.223 0.148 0.000 2.342 296 L HA 0.545 4.885 4.340 0.000 0.000 0.271 296 L C -1.774 175.207 176.870 0.186 0.000 1.008 296 L CA -1.967 53.002 54.840 0.215 0.000 0.818 296 L CB 1.176 43.436 42.059 0.335 0.000 1.296 296 L HN -0.176 nan 8.230 nan 0.000 0.427 297 P HA 0.071 nan 4.420 nan 0.000 0.271 297 P C -0.525 176.719 177.300 -0.093 0.000 1.216 297 P CA -0.267 62.908 63.100 0.125 0.000 0.771 297 P CB 0.310 32.161 31.700 0.252 0.000 0.864 298 F N 3.723 123.422 119.950 -0.418 0.000 2.578 298 F HA 0.083 4.610 4.527 0.000 0.000 0.381 298 F C 1.121 176.498 175.800 -0.705 0.000 1.069 298 F CA 0.043 57.472 58.000 -0.952 0.000 1.231 298 F CB 0.478 39.155 39.000 -0.538 0.000 1.086 298 F HN 0.254 nan 8.300 nan 0.000 0.564 299 R N 8.193 127.751 120.500 -1.570 0.000 2.275 299 R HA 0.412 4.752 4.340 0.000 0.000 0.326 299 R C -2.715 173.015 176.300 -0.949 0.000 0.973 299 R CA -2.102 53.278 56.100 -1.200 0.000 0.854 299 R CB 0.805 30.331 30.300 -1.290 0.000 1.156 299 R HN 0.335 nan 8.270 nan 0.000 0.487 300 P HA -0.028 nan 4.420 nan 0.000 0.266 300 P C 0.036 177.040 177.300 -0.493 0.000 1.195 300 P CA 0.254 63.183 63.100 -0.285 0.000 0.768 300 P CB 0.983 32.507 31.700 -0.293 0.000 0.838 301 A N 3.222 125.805 122.820 -0.396 0.000 2.024 301 A HA -0.238 4.082 4.320 0.000 0.000 0.220 301 A C 1.772 179.083 177.584 -0.455 0.000 1.164 301 A CA 1.710 53.493 52.037 -0.423 0.000 0.643 301 A CB -1.031 17.800 19.000 -0.281 0.000 0.806 301 A HN 0.580 nan 8.150 nan 0.000 0.451 302 E N -1.267 118.609 120.200 -0.540 0.000 2.204 302 E HA -0.145 4.205 4.350 0.000 0.000 0.195 302 E C 0.590 176.781 176.600 -0.681 0.000 0.990 302 E CA 1.194 57.222 56.400 -0.620 0.000 0.821 302 E CB -0.300 28.941 29.700 -0.765 0.000 0.750 302 E HN 0.887 nan 8.360 nan 0.000 0.477 303 Y N -0.685 119.242 120.300 -0.622 0.000 2.658 303 Y HA 0.298 4.848 4.550 0.000 0.000 0.276 303 Y C 0.646 176.160 175.900 -0.644 0.000 1.167 303 Y CA -0.583 56.955 58.100 -0.936 0.000 1.230 303 Y CB 0.513 38.660 38.460 -0.520 0.000 1.144 303 Y HN -0.173 nan 8.280 nan 0.000 0.529 304 R N 0.804 121.085 120.500 -0.365 0.000 2.586 304 R HA 0.097 4.437 4.340 0.000 0.000 0.306 304 R C -0.227 176.120 176.300 0.079 0.000 1.079 304 R CA -0.044 55.909 56.100 -0.246 0.000 1.083 304 R CB 0.191 30.116 30.300 -0.626 0.000 1.306 304 R HN 0.219 nan 8.270 nan 0.000 0.567 305 E N 0.373 120.729 120.200 0.260 0.000 2.250 305 E HA 0.147 4.497 4.350 0.000 0.000 0.269 305 E C -1.851 174.882 176.600 0.222 0.000 1.018 305 E CA -2.369 54.214 56.400 0.304 0.000 0.873 305 E CB 0.876 30.839 29.700 0.439 0.000 1.134 305 E HN -0.189 nan 8.360 nan 0.000 0.403 306 P HA -0.163 nan 4.420 nan 0.000 0.216 306 P C 0.595 177.897 177.300 0.003 0.000 1.153 306 P CA 1.362 64.258 63.100 -0.341 0.000 0.858 306 P CB 0.297 31.710 31.700 -0.479 0.000 0.789 307 E N -1.965 118.255 120.200 0.033 0.000 2.396 307 E HA -0.182 4.168 4.350 0.000 0.000 0.200 307 E C 1.436 178.030 176.600 -0.010 0.000 1.023 307 E CA 1.044 57.435 56.400 -0.015 0.000 0.857 307 E CB -0.896 28.759 29.700 -0.076 0.000 0.775 307 E HN 0.552 nan 8.360 nan 0.000 0.525 308 H N -0.766 118.433 119.070 0.216 0.000 2.563 308 H HA 0.071 4.627 4.556 0.000 0.000 0.264 308 H C 1.006 176.516 175.328 0.303 0.000 0.957 308 H CA 0.272 56.461 56.048 0.234 0.000 1.173 308 H CB 0.398 30.297 29.762 0.229 0.000 1.420 308 H HN 0.030 nan 8.280 nan 0.000 0.551 309 D N 0.758 121.383 120.400 0.375 0.000 2.149 309 D HA -0.158 4.482 4.640 0.000 0.000 0.194 309 D C 0.997 177.515 176.300 0.364 0.000 1.001 309 D CA 1.487 55.724 54.000 0.396 0.000 0.849 309 D CB -0.042 40.946 40.800 0.314 0.000 0.939 309 D HN 0.471 nan 8.370 nan 0.000 0.449 310 D N -1.252 119.283 120.400 0.225 0.000 2.407 310 D HA 0.127 4.767 4.640 0.000 0.000 0.208 310 D C 1.851 178.180 176.300 0.049 0.000 1.083 310 D CA 0.018 54.089 54.000 0.118 0.000 0.844 310 D CB 0.557 41.401 40.800 0.074 0.000 0.967 310 D HN 0.243 nan 8.370 nan 0.000 0.506 311 L N 0.212 121.494 121.223 0.098 0.000 2.470 311 L HA 0.142 4.482 4.340 0.000 0.000 0.219 311 L C 2.359 179.207 176.870 -0.037 0.000 1.071 311 L CA -0.158 54.697 54.840 0.025 0.000 0.850 311 L CB -0.174 41.921 42.059 0.059 0.000 1.040 311 L HN 0.161 nan 8.230 nan 0.000 0.475 312 W N 1.335 122.611 121.300 -0.040 0.000 2.387 312 W HA -0.166 4.494 4.660 0.000 0.000 0.272 312 W C 1.196 177.599 176.519 -0.193 0.000 1.224 312 W CA 0.593 57.822 57.345 -0.193 0.000 1.210 312 W CB -0.725 28.686 29.460 -0.082 0.000 1.125 312 W HN 0.317 nan 8.180 nan 0.000 0.572 313 Q N 0.407 119.685 119.800 -0.868 0.000 2.451 313 Q HA -0.019 4.321 4.340 0.000 0.000 0.206 313 Q C 1.772 177.553 176.000 -0.366 0.000 0.947 313 Q CA 1.249 56.552 55.803 -0.833 0.000 0.937 313 Q CB -0.030 28.118 28.738 -0.983 0.000 1.025 313 Q HN 0.182 nan 8.270 nan 0.000 0.511 314 T N 0.774 115.172 114.554 -0.261 0.000 3.054 314 T HA 0.130 4.480 4.350 0.000 0.000 0.259 314 T C 0.771 175.410 174.700 -0.102 0.000 1.092 314 T CA 0.220 62.233 62.100 -0.144 0.000 1.121 314 T CB 0.157 68.962 68.868 -0.104 0.000 0.912 314 T HN 0.086 nan 8.240 nan 0.000 0.489 315 L N 1.758 122.890 121.223 -0.152 0.000 2.421 315 L HA 0.373 4.713 4.340 0.000 0.000 0.263 315 L C -2.140 174.739 176.870 0.015 0.000 1.122 315 L CA -2.415 52.348 54.840 -0.129 0.000 0.804 315 L CB -0.074 41.718 42.059 -0.445 0.000 1.150 315 L HN -0.106 nan 8.230 nan 0.000 0.457 316 P HA -0.031 nan 4.420 nan 0.000 0.270 316 P C -0.776 176.664 177.300 0.234 0.000 1.223 316 P CA -0.282 62.913 63.100 0.157 0.000 0.785 316 P CB 0.361 32.158 31.700 0.163 0.000 0.923 317 D N 2.390 122.885 120.400 0.159 0.000 2.443 317 D HA -0.011 4.629 4.640 0.000 0.000 0.239 317 D C -1.444 174.916 176.300 0.100 0.000 1.136 317 D CA -1.458 52.626 54.000 0.141 0.000 0.879 317 D CB 0.626 41.473 40.800 0.078 0.000 1.195 317 D HN 0.097 nan 8.370 nan 0.000 0.443 318 P HA -0.156 nan 4.420 nan 0.000 0.217 318 P C 0.790 178.075 177.300 -0.025 0.000 1.151 318 P CA 1.715 64.789 63.100 -0.044 0.000 0.849 318 P CB 0.050 31.692 31.700 -0.097 0.000 0.787 319 A N -0.616 122.196 122.820 -0.013 0.000 2.216 319 A HA -0.157 4.163 4.320 0.000 0.000 0.214 319 A C 1.842 179.431 177.584 0.008 0.000 1.160 319 A CA 1.243 53.273 52.037 -0.013 0.000 0.725 319 A CB -0.886 18.103 19.000 -0.018 0.000 0.784 319 A HN 0.256 nan 8.150 nan 0.000 0.472 320 E N -0.724 119.495 120.200 0.031 0.000 2.415 320 E HA 0.206 4.556 4.350 0.000 0.000 0.197 320 E C -0.093 176.544 176.600 0.061 0.000 1.007 320 E CA -0.358 56.072 56.400 0.049 0.000 0.890 320 E CB 0.111 29.853 29.700 0.070 0.000 0.891 320 E HN 0.548 nan 8.360 nan 0.000 0.496 321 L N 1.415 122.668 121.223 0.049 0.000 2.464 321 L HA 0.120 4.461 4.340 0.000 0.000 0.264 321 L C 0.600 177.489 176.870 0.031 0.000 1.199 321 L CA -0.483 54.387 54.840 0.050 0.000 0.818 321 L CB 0.618 42.689 42.059 0.021 0.000 1.102 321 L HN -0.040 nan 8.230 nan 0.000 0.473 322 V N 1.584 121.521 119.914 0.039 0.000 2.872 322 V HA 0.163 4.283 4.120 0.000 0.000 0.307 322 V C 0.470 176.563 176.094 -0.001 0.000 1.072 322 V CA 0.316 62.633 62.300 0.028 0.000 1.148 322 V CB 1.270 33.117 31.823 0.040 0.000 0.954 322 V HN 0.992 nan 8.190 nan 0.000 0.490 323 T N 2.330 116.882 114.554 -0.003 0.000 2.887 323 T HA 0.432 4.782 4.350 0.000 0.000 0.292 323 T C 0.712 175.408 174.700 -0.008 0.000 1.087 323 T CA -0.083 62.006 62.100 -0.018 0.000 1.009 323 T CB 1.386 70.239 68.868 -0.024 0.000 1.203 323 T HN 0.352 nan 8.240 nan 0.000 0.518 324 V N 1.284 121.189 119.914 -0.015 0.000 2.469 324 V HA -0.017 4.103 4.120 0.000 0.000 0.251 324 V C 2.757 178.889 176.094 0.064 0.000 1.064 324 V CA 2.478 64.789 62.300 0.019 0.000 1.066 324 V CB -1.268 30.553 31.823 -0.003 0.000 0.667 324 V HN 1.104 nan 8.190 nan 0.000 0.461 325 G N -0.936 107.871 108.800 0.012 0.000 2.534 325 G HA2 -0.157 3.803 3.960 0.000 0.000 0.217 325 G HA3 -0.157 3.803 3.960 0.000 0.000 0.217 325 G C 1.082 175.997 174.900 0.025 0.000 1.128 325 G CA 0.548 45.647 45.100 -0.001 0.000 0.784 325 G HN 0.505 nan 8.290 nan 0.000 0.542 326 D N -0.007 120.409 120.400 0.027 0.000 2.349 326 D HA 0.034 4.674 4.640 0.000 0.000 0.224 326 D C 0.294 176.609 176.300 0.025 0.000 1.029 326 D CA 0.097 54.113 54.000 0.026 0.000 0.879 326 D CB 0.430 41.243 40.800 0.022 0.000 0.906 326 D HN 0.098 nan 8.370 nan 0.000 0.528 327 L N 1.561 122.807 121.223 0.039 0.000 2.389 327 L HA 0.190 4.531 4.340 0.000 0.000 0.265 327 L C 1.635 178.497 176.870 -0.013 0.000 1.167 327 L CA 0.078 54.898 54.840 -0.034 0.000 1.045 327 L CB 0.214 42.204 42.059 -0.116 0.000 1.351 327 L HN -0.228 nan 8.230 nan 0.000 0.419 328 R N 1.453 121.933 120.500 -0.034 0.000 2.075 328 R HA 0.041 4.381 4.340 0.000 0.000 0.232 328 R C 0.940 177.056 176.300 -0.306 0.000 1.126 328 R CA 0.935 57.022 56.100 -0.021 0.000 0.963 328 R CB 0.050 30.398 30.300 0.080 0.000 0.858 328 R HN 0.627 nan 8.270 nan 0.000 0.435 329 G N 0.806 109.252 108.800 -0.590 0.000 2.335 329 G HA2 0.362 4.322 3.960 0.000 0.000 0.314 329 G HA3 0.362 4.322 3.960 0.000 0.000 0.314 329 G C -0.255 174.077 174.900 -0.947 0.000 1.129 329 G CA -0.547 43.662 45.100 -1.486 0.000 0.912 329 G HN -0.020 nan 8.290 nan 0.000 0.443 330 M N 4.767 123.844 119.600 -0.872 0.000 2.495 330 M HA 0.261 4.742 4.480 0.000 0.000 0.346 330 M C 0.293 176.346 176.300 -0.411 0.000 1.251 330 M CA -0.273 54.693 55.300 -0.556 0.000 1.249 330 M CB 0.081 32.395 32.600 -0.477 0.000 1.229 330 M HN 0.573 nan 8.290 nan 0.000 0.450 331 I N -1.345 119.012 120.570 -0.354 0.000 3.062 331 I HA 0.456 4.626 4.170 0.000 0.000 0.318 331 I C 0.650 176.809 176.117 0.069 0.000 1.026 331 I CA -0.612 60.576 61.300 -0.186 0.000 1.096 331 I CB 1.085 38.872 38.000 -0.356 0.000 1.348 331 I HN 0.782 nan 8.210 nan 0.000 0.543 332 H N 1.171 120.297 119.070 0.093 0.000 2.794 332 H HA -0.150 4.406 4.556 0.000 0.000 0.334 332 H C -1.135 174.169 175.328 -0.040 0.000 1.154 332 H CA 0.363 56.439 56.048 0.047 0.000 1.129 332 H CB -0.589 29.231 29.762 0.097 0.000 1.600 332 H HN 1.022 nan 8.280 nan 0.000 0.410 333 T N 0.662 115.196 114.554 -0.032 0.000 2.924 333 T HA 0.531 4.881 4.350 0.000 0.000 0.291 333 T C -0.322 174.224 174.700 -0.256 0.000 1.045 333 T CA -1.015 61.017 62.100 -0.114 0.000 1.015 333 T CB 2.476 71.311 68.868 -0.055 0.000 1.103 333 T HN 0.427 nan 8.240 nan 0.000 0.496 334 H N 0.368 119.337 119.070 -0.169 0.000 2.621 334 H HA 0.705 5.261 4.556 0.000 0.000 0.360 334 H C 0.112 175.447 175.328 0.012 0.000 1.163 334 H CA -0.679 55.288 56.048 -0.134 0.000 1.194 334 H CB 2.211 31.740 29.762 -0.389 0.000 1.649 334 H HN 0.923 nan 8.280 nan 0.000 0.532 335 S N 0.205 116.042 115.700 0.228 0.000 2.810 335 S HA 0.156 4.626 4.470 0.000 0.000 0.315 335 S C 0.952 175.727 174.600 0.292 0.000 1.138 335 S CA -0.545 57.804 58.200 0.248 0.000 0.889 335 S CB 1.514 64.890 63.200 0.294 0.000 1.236 335 S HN 0.520 nan 8.310 nan 0.000 0.548 336 T N 0.547 115.238 114.554 0.229 0.000 2.849 336 T HA -0.075 4.275 4.350 0.000 0.000 0.270 336 T C 1.023 175.793 174.700 0.116 0.000 1.066 336 T CA 1.860 64.044 62.100 0.140 0.000 1.130 336 T CB -0.593 68.287 68.868 0.021 0.000 0.864 336 T HN 0.621 nan 8.240 nan 0.000 0.481 337 W N 1.137 122.498 121.300 0.101 0.000 2.331 337 W HA -0.061 4.599 4.660 0.000 0.000 0.291 337 W C 2.585 179.172 176.519 0.114 0.000 1.214 337 W CA 0.794 58.193 57.345 0.089 0.000 1.228 337 W CB -0.349 29.156 29.460 0.076 0.000 1.135 337 W HN 0.153 nan 8.180 nan 0.000 0.537 338 S N -0.443 115.487 115.700 0.384 0.000 4.089 338 S HA -0.014 4.456 4.470 0.000 0.000 0.191 338 S C 0.636 175.413 174.600 0.295 0.000 0.964 338 S CA 0.337 58.752 58.200 0.358 0.000 1.612 338 S CB -0.332 63.160 63.200 0.487 0.000 0.736 338 S HN 0.151 nan 8.310 nan 0.000 0.773 339 D N 0.658 121.289 120.400 0.384 0.000 2.593 339 D HA 0.301 4.941 4.640 0.000 0.000 0.241 339 D C 0.475 177.119 176.300 0.574 0.000 1.257 339 D CA -0.287 53.902 54.000 0.315 0.000 0.828 339 D CB -0.312 40.590 40.800 0.170 0.000 1.049 339 D HN 0.376 nan 8.370 nan 0.000 0.490 340 G N -0.909 108.205 108.800 0.524 0.000 2.547 340 G HA2 0.459 4.419 3.960 0.000 0.000 0.291 340 G HA3 0.459 4.419 3.960 0.000 0.000 0.291 340 G C 0.750 175.938 174.900 0.480 0.000 1.211 340 G CA -0.494 44.921 45.100 0.526 0.000 0.950 340 G HN 0.172 nan 8.290 nan 0.000 0.504 341 G N -1.622 107.325 108.800 0.245 0.000 3.192 341 G HA2 0.544 4.504 3.960 0.000 0.000 0.239 341 G HA3 0.544 4.504 3.960 0.000 0.000 0.239 341 G C 0.286 175.234 174.900 0.080 0.000 1.084 341 G CA 0.958 46.148 45.100 0.150 0.000 0.784 341 G HN 1.009 nan 8.290 nan 0.000 0.540 342 A N 0.248 123.118 122.820 0.083 0.000 2.469 342 A HA 0.785 5.106 4.320 0.000 0.000 0.299 342 A C 0.289 177.930 177.584 0.094 0.000 1.098 342 A CA -0.005 52.070 52.037 0.064 0.000 0.737 342 A CB 1.115 20.135 19.000 0.034 0.000 1.312 342 A HN 0.742 nan 8.150 nan 0.000 0.414 343 S N 0.071 115.819 115.700 0.080 0.000 2.608 343 S HA 0.347 4.818 4.470 0.000 0.000 0.261 343 S C 1.073 175.753 174.600 0.133 0.000 1.314 343 S CA -0.159 58.107 58.200 0.110 0.000 0.992 343 S CB 0.059 63.309 63.200 0.083 0.000 0.935 343 S HN 0.540 nan 8.310 nan 0.000 0.564 344 I N 0.544 121.226 120.570 0.187 0.000 2.361 344 I HA -0.154 4.016 4.170 0.000 0.000 0.251 344 I C 2.946 179.123 176.117 0.101 0.000 1.133 344 I CA 1.365 62.754 61.300 0.150 0.000 1.413 344 I CB -0.412 37.688 38.000 0.167 0.000 1.073 344 I HN 0.762 nan 8.210 nan 0.000 0.424 345 R N 1.358 121.917 120.500 0.098 0.000 2.066 345 R HA -0.173 4.167 4.340 0.000 0.000 0.232 345 R C 2.120 178.453 176.300 0.055 0.000 1.131 345 R CA 1.594 57.737 56.100 0.071 0.000 0.955 345 R CB -0.072 30.267 30.300 0.066 0.000 0.851 345 R HN 0.397 nan 8.270 nan 0.000 0.432 346 E N 0.068 120.300 120.200 0.053 0.000 2.085 346 E HA -0.228 4.122 4.350 0.000 0.000 0.194 346 E C 2.132 178.753 176.600 0.034 0.000 0.994 346 E CA 1.426 57.849 56.400 0.038 0.000 0.801 346 E CB -0.089 29.631 29.700 0.034 0.000 0.743 346 E HN 0.324 nan 8.360 nan 0.000 0.453 347 M N 0.478 120.103 119.600 0.042 0.000 2.086 347 M HA -0.106 4.374 4.480 0.000 0.000 0.261 347 M C 2.534 178.851 176.300 0.028 0.000 1.067 347 M CA 1.341 56.660 55.300 0.032 0.000 1.116 347 M CB -1.040 31.583 32.600 0.038 0.000 1.348 347 M HN 0.137 nan 8.290 nan 0.000 0.407 348 A N 0.092 122.935 122.820 0.038 0.000 1.877 348 A HA -0.185 4.135 4.320 0.000 0.000 0.216 348 A C 2.087 179.692 177.584 0.035 0.000 1.186 348 A CA 1.977 54.037 52.037 0.038 0.000 0.620 348 A CB -0.789 18.242 19.000 0.051 0.000 0.822 348 A HN 0.451 nan 8.150 nan 0.000 0.443 349 E N -0.215 120.005 120.200 0.033 0.000 2.097 349 E HA -0.140 4.210 4.350 0.000 0.000 0.196 349 E C 2.216 178.828 176.600 0.020 0.000 1.000 349 E CA 1.496 57.912 56.400 0.026 0.000 0.804 349 E CB -0.361 29.353 29.700 0.023 0.000 0.740 349 E HN 0.602 nan 8.360 nan 0.000 0.454 350 A N 0.078 122.910 122.820 0.020 0.000 1.902 350 A HA -0.218 4.102 4.320 0.000 0.000 0.217 350 A C 2.439 180.042 177.584 0.031 0.000 1.181 350 A CA 2.259 54.306 52.037 0.017 0.000 0.623 350 A CB -1.232 17.775 19.000 0.013 0.000 0.818 350 A HN 0.434 nan 8.150 nan 0.000 0.443 351 T N -1.846 112.733 114.554 0.041 0.000 2.962 351 T HA 0.021 4.371 4.350 0.000 0.000 0.270 351 T C 1.750 176.500 174.700 0.083 0.000 1.088 351 T CA 1.328 63.481 62.100 0.089 0.000 1.127 351 T CB -0.408 68.475 68.868 0.026 0.000 0.883 351 T HN 0.313 nan 8.240 nan 0.000 0.493 352 L N 1.385 122.630 121.223 0.036 0.000 2.095 352 L HA 0.053 4.393 4.340 0.000 0.000 0.204 352 L C 3.217 180.074 176.870 -0.021 0.000 1.080 352 L CA 1.639 56.487 54.840 0.014 0.000 0.759 352 L CB -0.766 41.305 42.059 0.020 0.000 0.914 352 L HN 0.481 nan 8.230 nan 0.000 0.439 353 T N -2.459 112.084 114.554 -0.018 0.000 3.118 353 T HA -0.008 4.342 4.350 0.000 0.000 0.260 353 T C 1.560 176.222 174.700 -0.065 0.000 1.139 353 T CA 0.484 62.564 62.100 -0.035 0.000 1.085 353 T CB -0.105 68.751 68.868 -0.020 0.000 0.934 353 T HN 0.224 nan 8.240 nan 0.000 0.518 354 L N 0.107 121.280 121.223 -0.082 0.000 2.567 354 L HA 0.407 4.747 4.340 0.000 0.000 0.225 354 L C 1.978 178.626 176.870 -0.370 0.000 1.119 354 L CA 0.525 55.271 54.840 -0.156 0.000 0.871 354 L CB -0.044 41.982 42.059 -0.054 0.000 1.036 354 L HN 0.591 nan 8.230 nan 0.000 0.459 355 G N -1.158 107.449 108.800 -0.321 0.000 2.154 355 G HA2 -0.172 3.788 3.960 0.000 0.000 0.186 355 G HA3 -0.172 3.788 3.960 0.000 0.000 0.186 355 G C 0.147 174.833 174.900 -0.356 0.000 1.000 355 G CA -0.541 44.366 45.100 -0.322 0.000 0.664 355 G HN 0.308 nan 8.290 nan 0.000 0.513 356 H N -0.419 118.617 119.070 -0.056 0.000 2.530 356 H HA 0.539 5.095 4.556 0.000 0.000 0.342 356 H C 1.136 176.436 175.328 -0.046 0.000 1.312 356 H CA 0.231 56.232 56.048 -0.078 0.000 1.376 356 H CB 1.349 31.031 29.762 -0.134 0.000 1.692 356 H HN 0.299 nan 8.280 nan 0.000 0.622 357 E N 0.043 120.303 120.200 0.101 0.000 2.175 357 E HA 0.038 4.388 4.350 0.000 0.000 0.195 357 E C -0.537 176.193 176.600 0.217 0.000 0.934 357 E CA 0.226 56.714 56.400 0.146 0.000 0.870 357 E CB 0.526 30.359 29.700 0.222 0.000 0.838 357 E HN 0.350 nan 8.360 nan 0.000 0.474 358 F N -0.359 119.576 119.950 -0.026 0.000 2.662 358 F HA 0.536 5.063 4.527 0.000 0.000 0.312 358 F C -1.540 174.208 175.800 -0.085 0.000 1.113 358 F CA -1.598 56.372 58.000 -0.050 0.000 0.951 358 F CB 0.931 39.893 39.000 -0.064 0.000 1.344 358 F HN -0.156 nan 8.300 nan 0.000 0.462 359 L N 2.103 123.351 121.223 0.041 0.000 2.317 359 L HA 0.882 5.222 4.340 0.000 0.000 0.281 359 L C -0.173 176.711 176.870 0.024 0.000 1.024 359 L CA -0.272 54.530 54.840 -0.063 0.000 0.810 359 L CB 1.673 43.735 42.059 0.004 0.000 1.240 359 L HN 0.974 nan 8.230 nan 0.000 0.427 360 G N 2.956 111.711 108.800 -0.074 0.000 2.428 360 G HA2 0.404 4.364 3.960 0.000 0.000 0.320 360 G HA3 0.404 4.364 3.960 0.000 0.000 0.320 360 G C -0.274 174.726 174.900 0.166 0.000 1.098 360 G CA -0.290 44.846 45.100 0.059 0.000 0.984 360 G HN 0.609 nan 8.290 nan 0.000 0.444 361 T N 1.144 115.816 114.554 0.196 0.000 2.919 361 T HA 0.464 4.814 4.350 0.000 0.000 0.302 361 T C 0.646 175.368 174.700 0.037 0.000 1.031 361 T CA 0.996 63.144 62.100 0.079 0.000 1.127 361 T CB 1.110 69.995 68.868 0.028 0.000 0.952 361 T HN 1.137 nan 8.240 nan 0.000 0.540 362 A N 3.446 126.197 122.820 -0.115 0.000 3.134 362 A HA 0.296 4.616 4.320 0.000 0.000 0.237 362 A C -0.366 176.963 177.584 -0.424 0.000 1.233 362 A CA -0.688 51.214 52.037 -0.224 0.000 1.112 362 A CB 0.315 19.245 19.000 -0.115 0.000 1.365 362 A HN 0.699 nan 8.150 nan 0.000 0.796 363 D N 1.137 121.388 120.400 -0.248 0.000 2.358 363 D HA 0.208 4.849 4.640 0.000 0.000 0.244 363 D C 0.118 176.405 176.300 -0.022 0.000 1.163 363 D CA 0.091 54.019 54.000 -0.121 0.000 0.945 363 D CB 0.560 41.420 40.800 0.101 0.000 1.152 363 D HN 0.575 nan 8.370 nan 0.000 0.451 364 H N -0.376 118.850 119.070 0.259 0.000 2.703 364 H HA 0.165 4.721 4.556 0.000 0.000 0.377 364 H C 0.495 175.885 175.328 0.103 0.000 1.392 364 H CA 0.088 56.243 56.048 0.177 0.000 1.458 364 H CB 0.667 30.509 29.762 0.134 0.000 1.529 364 H HN 0.295 nan 8.280 nan 0.000 0.619 365 S N 0.084 115.859 115.700 0.124 0.000 2.689 365 S HA 0.299 4.769 4.470 0.000 0.000 0.306 365 S C 1.207 175.753 174.600 -0.090 0.000 1.104 365 S CA -1.133 56.997 58.200 -0.117 0.000 0.973 365 S CB 2.799 65.537 63.200 -0.770 0.000 1.121 365 S HN 0.566 nan 8.310 nan 0.000 0.523 366 R N 0.745 121.186 120.500 -0.099 0.000 2.316 366 R HA -0.358 3.982 4.340 0.000 0.000 0.218 366 R C 2.375 178.673 176.300 -0.004 0.000 1.089 366 R CA 2.500 58.587 56.100 -0.021 0.000 0.737 366 R CB -1.838 28.434 30.300 -0.047 0.000 0.950 366 R HN 0.974 nan 8.270 nan 0.000 0.354 367 A N 0.626 123.421 122.820 -0.043 0.000 1.948 367 A HA -0.071 4.249 4.320 0.000 0.000 0.220 367 A C 1.437 179.052 177.584 0.052 0.000 1.177 367 A CA 1.680 53.723 52.037 0.010 0.000 0.636 367 A CB -0.469 18.528 19.000 -0.005 0.000 0.815 367 A HN 0.558 nan 8.150 nan 0.000 0.449 368 A N -1.012 121.826 122.820 0.029 0.000 2.981 368 A HA 0.342 4.662 4.320 0.000 0.000 0.280 368 A C 0.741 178.313 177.584 -0.020 0.000 1.797 368 A CA -0.066 51.965 52.037 -0.009 0.000 1.456 368 A CB -0.947 17.972 19.000 -0.134 0.000 1.057 368 A HN 0.599 nan 8.150 nan 0.000 0.602 369 Y N 1.481 121.706 120.300 -0.125 0.000 2.200 369 Y HA -0.201 4.349 4.550 0.000 0.000 0.290 369 Y C 1.216 176.919 175.900 -0.328 0.000 1.137 369 Y CA 2.089 60.033 58.100 -0.261 0.000 1.163 369 Y CB -0.097 38.110 38.460 -0.421 0.000 0.988 369 Y HN 0.695 nan 8.280 nan 0.000 0.518 370 Y N -0.953 119.368 120.300 0.035 0.000 2.529 370 Y HA 0.231 4.781 4.550 0.000 0.000 0.290 370 Y C 1.714 177.510 175.900 -0.174 0.000 1.177 370 Y CA 0.350 58.414 58.100 -0.060 0.000 1.305 370 Y CB -0.023 38.412 38.460 -0.041 0.000 1.047 370 Y HN 0.200 nan 8.280 nan 0.000 0.522 371 A N -0.253 122.498 122.820 -0.115 0.000 2.564 371 A HA 0.237 4.557 4.320 0.000 0.000 0.279 371 A C 0.637 178.159 177.584 -0.103 0.000 1.232 371 A CA -0.033 51.889 52.037 -0.192 0.000 0.950 371 A CB -0.366 18.347 19.000 -0.478 0.000 1.138 371 A HN 0.348 nan 8.150 nan 0.000 0.526 372 N N -0.575 118.040 118.700 -0.141 0.000 2.758 372 N HA -0.144 4.596 4.740 0.000 0.000 0.248 372 N C 0.437 175.958 175.510 0.017 0.000 1.076 372 N CA 0.946 53.937 53.050 -0.098 0.000 0.696 372 N CB -1.518 36.952 38.487 -0.028 0.000 0.979 372 N HN 0.756 nan 8.380 nan 0.000 0.550 373 G N -0.187 108.613 108.800 0.000 0.000 2.614 373 G HA2 0.353 4.313 3.960 0.000 0.000 0.239 373 G HA3 0.353 4.313 3.960 0.000 0.000 0.239 373 G C 0.029 175.006 174.900 0.129 0.000 1.240 373 G CA -0.370 44.795 45.100 0.109 0.000 0.842 373 G HN 0.274 nan 8.290 nan 0.000 0.584 374 L N 1.571 122.920 121.223 0.209 0.000 2.281 374 L HA 0.286 4.626 4.340 0.000 0.000 0.285 374 L C 1.497 178.545 176.870 0.298 0.000 1.074 374 L CA -0.181 54.809 54.840 0.250 0.000 0.817 374 L CB 0.986 43.205 42.059 0.266 0.000 1.168 374 L HN 0.756 nan 8.230 nan 0.000 0.434 375 T N -0.250 114.434 114.554 0.217 0.000 2.701 375 T HA 0.188 4.538 4.350 0.000 0.000 0.303 375 T C 1.632 176.458 174.700 0.210 0.000 1.030 375 T CA -0.378 61.854 62.100 0.220 0.000 1.010 375 T CB 0.564 69.512 68.868 0.133 0.000 1.007 375 T HN 0.409 nan 8.240 nan 0.000 0.532 376 I N 1.270 121.936 120.570 0.161 0.000 2.208 376 I HA -0.180 3.991 4.170 0.000 0.000 0.245 376 I C 2.816 178.903 176.117 -0.049 0.000 1.097 376 I CA 1.565 62.844 61.300 -0.035 0.000 1.363 376 I CB -0.488 37.495 38.000 -0.027 0.000 1.051 376 I HN 0.778 nan 8.210 nan 0.000 0.413 377 E N 1.419 121.629 120.200 0.015 0.000 2.072 377 E HA -0.229 4.121 4.350 0.000 0.000 0.191 377 E C 2.141 178.768 176.600 0.045 0.000 0.985 377 E CA 1.122 57.535 56.400 0.020 0.000 0.801 377 E CB -0.586 29.138 29.700 0.039 0.000 0.750 377 E HN 0.526 nan 8.360 nan 0.000 0.452 378 R N 0.229 120.784 120.500 0.093 0.000 2.115 378 R HA -0.024 4.316 4.340 0.000 0.000 0.230 378 R C 2.541 178.869 176.300 0.046 0.000 1.111 378 R CA 0.864 57.070 56.100 0.177 0.000 0.976 378 R CB -0.388 30.065 30.300 0.255 0.000 0.870 378 R HN 0.122 nan 8.270 nan 0.000 0.445 379 L N 1.391 122.589 121.223 -0.042 0.000 2.046 379 L HA -0.167 4.173 4.340 0.000 0.000 0.208 379 L C 2.108 178.838 176.870 -0.233 0.000 1.077 379 L CA 1.710 56.437 54.840 -0.189 0.000 0.747 379 L CB -0.211 41.686 42.059 -0.270 0.000 0.896 379 L HN 0.004 nan 8.230 nan 0.000 0.432 380 R N -0.294 120.113 120.500 -0.156 0.000 2.096 380 R HA -0.144 4.196 4.340 0.000 0.000 0.235 380 R C 2.081 178.315 176.300 -0.109 0.000 1.127 380 R CA 1.659 57.682 56.100 -0.127 0.000 0.968 380 R CB -0.504 29.748 30.300 -0.080 0.000 0.861 380 R HN 0.574 nan 8.270 nan 0.000 0.440 381 E N 0.857 121.020 120.200 -0.062 0.000 2.106 381 E HA -0.225 4.125 4.350 0.000 0.000 0.192 381 E C 2.112 178.597 176.600 -0.193 0.000 0.984 381 E CA 0.837 57.251 56.400 0.024 0.000 0.806 381 E CB -0.041 29.821 29.700 0.270 0.000 0.750 381 E HN 0.364 nan 8.360 nan 0.000 0.458 382 Q N 0.884 120.242 119.800 -0.737 0.000 2.084 382 Q HA -0.172 4.168 4.340 0.000 0.000 0.202 382 Q C 2.260 177.953 176.000 -0.511 0.000 0.978 382 Q CA 0.993 56.058 55.803 -1.231 0.000 0.844 382 Q CB -0.003 27.846 28.738 -1.482 0.000 0.898 382 Q HN 0.289 nan 8.270 nan 0.000 0.426 383 L N 0.424 121.447 121.223 -0.333 0.000 2.083 383 L HA -0.203 4.137 4.340 0.000 0.000 0.209 383 L C 2.392 179.197 176.870 -0.109 0.000 1.083 383 L CA 0.936 55.663 54.840 -0.189 0.000 0.752 383 L CB -0.287 41.680 42.059 -0.154 0.000 0.899 383 L HN 0.084 nan 8.230 nan 0.000 0.433 384 K N 0.260 120.610 120.400 -0.083 0.000 2.026 384 K HA -0.217 4.104 4.320 0.000 0.000 0.208 384 K C 1.925 178.529 176.600 0.008 0.000 1.048 384 K CA 1.395 57.670 56.287 -0.020 0.000 0.929 384 K CB -0.391 32.116 32.500 0.011 0.000 0.713 384 K HN 0.327 nan 8.250 nan 0.000 0.439 385 E N 0.370 120.585 120.200 0.026 0.000 2.085 385 E HA -0.173 4.177 4.350 0.000 0.000 0.194 385 E C 1.887 178.514 176.600 0.044 0.000 0.994 385 E CA 1.206 57.659 56.400 0.088 0.000 0.801 385 E CB -0.117 29.720 29.700 0.227 0.000 0.743 385 E HN 0.263 nan 8.360 nan 0.000 0.453 386 I N 0.494 121.054 120.570 -0.018 0.000 2.286 386 I HA -0.253 3.917 4.170 0.000 0.000 0.248 386 I C 2.720 178.841 176.117 0.007 0.000 1.115 386 I CA 1.024 62.318 61.300 -0.009 0.000 1.392 386 I CB -0.254 37.720 38.000 -0.045 0.000 1.065 386 I HN 0.102 nan 8.210 nan 0.000 0.418 387 R N 0.686 121.184 120.500 -0.003 0.000 2.091 387 R HA -0.198 4.142 4.340 0.000 0.000 0.238 387 R C 2.165 178.474 176.300 0.016 0.000 1.136 387 R CA 1.598 57.700 56.100 0.004 0.000 0.959 387 R CB -0.298 30.000 30.300 -0.003 0.000 0.856 387 R HN 0.469 nan 8.270 nan 0.000 0.437 388 E N 0.684 120.899 120.200 0.025 0.000 2.031 388 E HA -0.179 4.171 4.350 0.000 0.000 0.193 388 E C 2.068 178.690 176.600 0.036 0.000 0.994 388 E CA 1.140 57.560 56.400 0.033 0.000 0.800 388 E CB -0.164 29.563 29.700 0.045 0.000 0.752 388 E HN 0.255 nan 8.360 nan 0.000 0.447 389 L N 0.853 122.102 121.223 0.043 0.000 2.079 389 L HA -0.270 4.070 4.340 0.000 0.000 0.210 389 L C 2.565 179.458 176.870 0.037 0.000 1.081 389 L CA 1.305 56.172 54.840 0.045 0.000 0.752 389 L CB -0.403 41.689 42.059 0.055 0.000 0.896 389 L HN 0.187 nan 8.230 nan 0.000 0.433 390 Q N -0.652 119.166 119.800 0.031 0.000 2.079 390 Q HA -0.144 4.197 4.340 0.000 0.000 0.200 390 Q C 2.417 178.430 176.000 0.021 0.000 0.974 390 Q CA 1.022 56.840 55.803 0.026 0.000 0.840 390 Q CB 0.001 28.751 28.738 0.020 0.000 0.898 390 Q HN 0.367 nan 8.270 nan 0.000 0.430 391 R N 0.296 120.807 120.500 0.019 0.000 2.091 391 R HA -0.106 4.234 4.340 0.000 0.000 0.238 391 R C 1.904 178.215 176.300 0.019 0.000 1.136 391 R CA 1.394 57.504 56.100 0.017 0.000 0.959 391 R CB -0.809 29.501 30.300 0.017 0.000 0.856 391 R HN 0.217 nan 8.270 nan 0.000 0.437 392 A N 0.028 122.862 122.820 0.023 0.000 2.239 392 A HA 0.238 4.558 4.320 0.000 0.000 0.209 392 A C 1.322 178.920 177.584 0.023 0.000 1.171 392 A CA 0.983 53.034 52.037 0.024 0.000 0.768 392 A CB -0.239 18.777 19.000 0.028 0.000 0.790 392 A HN 0.485 nan 8.150 nan 0.000 0.478 393 G N -1.585 107.229 108.800 0.023 0.000 2.131 393 G HA2 -0.173 3.787 3.960 0.000 0.000 0.223 393 G HA3 -0.173 3.787 3.960 0.000 0.000 0.223 393 G C -0.032 174.886 174.900 0.030 0.000 0.990 393 G CA 0.063 45.177 45.100 0.023 0.000 0.671 393 G HN 0.389 nan 8.290 nan 0.000 0.521 394 L N 1.282 122.526 121.223 0.036 0.000 2.290 394 L HA 0.386 4.726 4.340 0.000 0.000 0.284 394 L C -1.907 174.996 176.870 0.055 0.000 1.078 394 L CA -1.956 52.912 54.840 0.046 0.000 0.815 394 L CB 1.310 43.398 42.059 0.049 0.000 1.162 394 L HN -0.099 nan 8.230 nan 0.000 0.435 395 P HA 0.320 nan 4.420 nan 0.000 0.273 395 P C -0.770 176.614 177.300 0.141 0.000 1.428 395 P CA 0.209 63.367 63.100 0.096 0.000 0.995 395 P CB 0.132 31.912 31.700 0.133 0.000 1.286 396 I N 2.200 122.834 120.570 0.107 0.000 2.730 396 I HA 0.453 4.623 4.170 0.000 0.000 0.298 396 I C -0.481 175.711 176.117 0.125 0.000 1.089 396 I CA -1.299 60.080 61.300 0.131 0.000 1.041 396 I CB 2.836 40.889 38.000 0.089 0.000 1.235 396 I HN -0.117 nan 8.210 nan 0.000 0.423 397 V N 3.941 123.969 119.914 0.190 0.000 2.487 397 V HA 0.566 4.686 4.120 0.000 0.000 0.298 397 V C 0.144 176.407 176.094 0.282 0.000 1.028 397 V CA -0.604 61.824 62.300 0.213 0.000 0.860 397 V CB 1.775 33.748 31.823 0.249 0.000 0.991 397 V HN 0.841 nan 8.190 nan 0.000 0.427 398 A N 3.924 126.874 122.820 0.217 0.000 2.320 398 A HA 0.842 5.162 4.320 0.000 0.000 0.287 398 A C 0.495 178.160 177.584 0.135 0.000 1.181 398 A CA 0.445 52.561 52.037 0.132 0.000 0.831 398 A CB 0.511 19.523 19.000 0.020 0.000 1.102 398 A HN 1.124 nan 8.150 nan 0.000 0.513 399 G N -0.073 108.714 108.800 -0.023 0.000 3.022 399 G HA2 0.669 4.629 3.960 0.000 0.000 0.284 399 G HA3 0.669 4.629 3.960 0.000 0.000 0.284 399 G C -0.793 173.912 174.900 -0.323 0.000 1.375 399 G CA 0.091 44.911 45.100 -0.465 0.000 0.902 399 G HN 1.374 nan 8.290 nan 0.000 0.538 400 S N -1.370 114.106 115.700 -0.374 0.000 2.537 400 S HA 0.427 4.897 4.470 0.000 0.000 0.271 400 S C -1.512 172.974 174.600 -0.190 0.000 1.148 400 S CA -0.541 57.559 58.200 -0.168 0.000 0.868 400 S CB 1.944 65.163 63.200 0.032 0.000 1.115 400 S HN 0.627 nan 8.310 nan 0.000 0.461 401 E N 3.505 123.625 120.200 -0.132 0.000 1.986 401 E HA 0.410 4.760 4.350 0.000 0.000 0.264 401 E C -0.920 175.675 176.600 -0.009 0.000 1.023 401 E CA -0.488 55.849 56.400 -0.104 0.000 0.834 401 E CB 0.524 30.195 29.700 -0.049 0.000 1.111 401 E HN 0.492 nan 8.360 nan 0.000 0.417 402 V N 4.508 124.389 119.914 -0.054 0.000 2.488 402 V HA 0.006 4.126 4.120 0.000 0.000 0.277 402 V C 0.605 176.667 176.094 -0.052 0.000 1.046 402 V CA -0.363 61.880 62.300 -0.095 0.000 0.986 402 V CB 1.083 32.849 31.823 -0.095 0.000 0.989 402 V HN 0.672 nan 8.190 nan 0.000 0.475 403 D N 3.919 124.291 120.400 -0.046 0.000 2.382 403 D HA 0.202 4.842 4.640 0.000 0.000 0.245 403 D C -0.125 176.154 176.300 -0.033 0.000 1.120 403 D CA -0.026 53.995 54.000 0.035 0.000 0.890 403 D CB 1.033 41.868 40.800 0.059 0.000 1.201 403 D HN 0.411 nan 8.370 nan 0.000 0.433 404 I N 4.974 125.528 120.570 -0.026 0.000 2.291 404 I HA 0.097 4.267 4.170 0.000 0.000 0.292 404 I C 0.648 176.736 176.117 -0.049 0.000 1.064 404 I CA -0.580 60.687 61.300 -0.056 0.000 1.269 404 I CB 0.586 38.537 38.000 -0.082 0.000 1.418 404 I HN 0.158 nan 8.210 nan 0.000 0.485 405 L N 5.392 126.590 121.223 -0.042 0.000 2.483 405 L HA -0.014 4.326 4.340 0.000 0.000 0.277 405 L C 1.602 178.445 176.870 -0.045 0.000 1.248 405 L CA -0.282 54.538 54.840 -0.032 0.000 0.825 405 L CB 0.260 42.304 42.059 -0.025 0.000 1.096 405 L HN 0.665 nan 8.230 nan 0.000 0.512 406 D N 0.344 120.721 120.400 -0.038 0.000 2.351 406 D HA -0.204 4.437 4.640 0.000 0.000 0.216 406 D C 0.898 177.167 176.300 -0.052 0.000 0.968 406 D CA 1.121 55.090 54.000 -0.053 0.000 0.899 406 D CB -0.348 40.430 40.800 -0.036 0.000 0.907 406 D HN 0.739 nan 8.370 nan 0.000 0.514 407 D N -1.553 118.825 120.400 -0.038 0.000 2.349 407 D HA 0.203 4.843 4.640 0.000 0.000 0.214 407 D C 1.679 177.960 176.300 -0.032 0.000 1.063 407 D CA 0.549 54.530 54.000 -0.031 0.000 0.847 407 D CB 0.177 40.966 40.800 -0.019 0.000 0.933 407 D HN 0.304 nan 8.370 nan 0.000 0.513 408 G N 0.021 108.797 108.800 -0.039 0.000 2.218 408 G HA2 -0.234 3.726 3.960 0.000 0.000 0.216 408 G HA3 -0.234 3.726 3.960 0.000 0.000 0.216 408 G C 0.427 175.320 174.900 -0.013 0.000 0.994 408 G CA 0.175 45.255 45.100 -0.034 0.000 0.637 408 G HN 0.777 nan 8.290 nan 0.000 0.505 409 S N 0.347 116.043 115.700 -0.006 0.000 2.632 409 S HA 0.797 5.267 4.470 0.000 0.000 0.267 409 S C 0.058 174.653 174.600 -0.008 0.000 1.276 409 S CA -0.582 57.627 58.200 0.014 0.000 0.998 409 S CB 1.967 65.177 63.200 0.018 0.000 0.953 409 S HN 0.530 nan 8.310 nan 0.000 0.547 410 L N 1.322 122.543 121.223 -0.004 0.000 2.360 410 L HA 0.427 4.768 4.340 0.000 0.000 0.271 410 L C 1.296 178.131 176.870 -0.057 0.000 1.057 410 L CA -0.115 54.691 54.840 -0.056 0.000 0.803 410 L CB 1.000 42.988 42.059 -0.119 0.000 1.207 410 L HN 0.903 nan 8.230 nan 0.000 0.445 411 D N 0.626 120.946 120.400 -0.132 0.000 2.219 411 D HA -0.113 4.527 4.640 0.000 0.000 0.205 411 D C 0.028 176.201 176.300 -0.211 0.000 0.970 411 D CA 1.157 55.027 54.000 -0.217 0.000 0.851 411 D CB 0.215 40.798 40.800 -0.361 0.000 0.943 411 D HN 0.172 nan 8.370 nan 0.000 0.488 412 F N -0.122 119.813 119.950 -0.024 0.000 2.458 412 F HA 0.455 4.982 4.527 0.000 0.000 0.330 412 F C -1.756 174.032 175.800 -0.019 0.000 1.082 412 F CA -3.068 54.917 58.000 -0.024 0.000 0.995 412 F CB 1.084 40.059 39.000 -0.043 0.000 1.170 412 F HN -0.260 nan 8.300 nan 0.000 0.478 413 P HA 0.109 nan 4.420 nan 0.000 0.272 413 P C 0.139 177.499 177.300 0.099 0.000 1.230 413 P CA -0.032 63.141 63.100 0.121 0.000 0.788 413 P CB 0.797 32.545 31.700 0.081 0.000 0.949 414 D N 0.450 120.912 120.400 0.103 0.000 2.149 414 D HA -0.183 4.457 4.640 0.000 0.000 0.198 414 D C 1.385 177.717 176.300 0.053 0.000 0.990 414 D CA 1.398 55.466 54.000 0.112 0.000 0.839 414 D CB -0.413 40.456 40.800 0.116 0.000 0.948 414 D HN 0.557 nan 8.370 nan 0.000 0.460 415 D N 0.363 120.778 120.400 0.025 0.000 2.178 415 D HA -0.107 4.533 4.640 0.000 0.000 0.202 415 D C 2.054 178.331 176.300 -0.038 0.000 0.974 415 D CA 0.574 54.571 54.000 -0.005 0.000 0.841 415 D CB -0.385 40.409 40.800 -0.009 0.000 0.953 415 D HN 0.142 nan 8.370 nan 0.000 0.478 416 V N 1.465 121.344 119.914 -0.059 0.000 2.379 416 V HA -0.182 3.938 4.120 0.000 0.000 0.245 416 V C 2.791 178.795 176.094 -0.149 0.000 1.044 416 V CA 0.947 63.155 62.300 -0.153 0.000 1.036 416 V CB -0.530 31.132 31.823 -0.268 0.000 0.664 416 V HN 0.181 nan 8.190 nan 0.000 0.453 417 L N 0.648 121.832 121.223 -0.065 0.000 2.265 417 L HA -0.081 4.259 4.340 0.000 0.000 0.215 417 L C 2.467 179.316 176.870 -0.035 0.000 1.117 417 L CA 1.424 56.240 54.840 -0.040 0.000 0.782 417 L CB -0.969 41.086 42.059 -0.007 0.000 0.914 417 L HN 0.488 nan 8.230 nan 0.000 0.441 418 G N -0.735 108.050 108.800 -0.026 0.000 2.534 418 G HA2 -0.148 3.812 3.960 0.000 0.000 0.217 418 G HA3 -0.148 3.812 3.960 0.000 0.000 0.217 418 G C 1.398 176.277 174.900 -0.035 0.000 1.128 418 G CA 0.037 45.126 45.100 -0.018 0.000 0.784 418 G HN 0.394 nan 8.290 nan 0.000 0.542 419 E N -0.463 119.701 120.200 -0.061 0.000 2.358 419 E HA 0.117 4.467 4.350 0.000 0.000 0.195 419 E C 0.515 177.080 176.600 -0.058 0.000 1.010 419 E CA -0.189 56.172 56.400 -0.067 0.000 0.856 419 E CB 0.097 29.738 29.700 -0.099 0.000 0.795 419 E HN 0.356 nan 8.360 nan 0.000 0.504 420 L N 1.272 122.460 121.223 -0.058 0.000 2.399 420 L HA 0.067 4.407 4.340 0.000 0.000 0.266 420 L C 1.019 177.902 176.870 0.022 0.000 1.114 420 L CA -0.514 54.301 54.840 -0.041 0.000 0.804 420 L CB 0.707 42.715 42.059 -0.086 0.000 1.146 420 L HN -0.116 nan 8.230 nan 0.000 0.451 421 D N 0.056 120.514 120.400 0.097 0.000 2.234 421 D HA -0.014 4.626 4.640 0.000 0.000 0.205 421 D C -0.396 176.075 176.300 0.286 0.000 0.962 421 D CA 1.288 55.394 54.000 0.176 0.000 0.855 421 D CB 0.228 41.173 40.800 0.242 0.000 0.951 421 D HN 0.494 nan 8.370 nan 0.000 0.500 422 Y N -2.496 117.850 120.300 0.077 0.000 2.592 422 Y HA 0.520 5.070 4.550 0.000 0.000 0.334 422 Y C -1.808 174.130 175.900 0.063 0.000 1.136 422 Y CA -1.312 56.842 58.100 0.091 0.000 1.042 422 Y CB 1.048 39.647 38.460 0.232 0.000 1.325 422 Y HN -0.354 nan 8.280 nan 0.000 0.457 423 V N 3.692 123.547 119.914 -0.097 0.000 2.487 423 V HA 0.554 4.674 4.120 0.000 0.000 0.298 423 V C -0.623 175.390 176.094 -0.134 0.000 1.028 423 V CA -0.855 61.326 62.300 -0.197 0.000 0.860 423 V CB 1.435 33.195 31.823 -0.104 0.000 0.991 423 V HN 0.732 nan 8.190 nan 0.000 0.427 424 V N 5.513 125.293 119.914 -0.223 0.000 2.472 424 V HA 0.578 4.698 4.120 0.000 0.000 0.290 424 V C -0.021 175.978 176.094 -0.159 0.000 1.037 424 V CA -0.546 61.650 62.300 -0.173 0.000 0.908 424 V CB 1.892 33.529 31.823 -0.310 0.000 0.985 424 V HN 0.762 nan 8.190 nan 0.000 0.454 425 V N 2.093 121.928 119.914 -0.132 0.000 2.581 425 V HA 0.974 5.094 4.120 0.000 0.000 0.303 425 V C -0.238 175.771 176.094 -0.142 0.000 1.041 425 V CA -0.168 62.062 62.300 -0.117 0.000 0.907 425 V CB 1.820 33.583 31.823 -0.099 0.000 0.994 425 V HN 0.811 nan 8.190 nan 0.000 0.442 426 S N 2.035 117.668 115.700 -0.111 0.000 2.547 426 S HA 0.664 5.134 4.470 0.000 0.000 0.270 426 S C -0.826 173.710 174.600 -0.108 0.000 1.150 426 S CA -0.618 57.480 58.200 -0.171 0.000 0.850 426 S CB 1.984 65.054 63.200 -0.218 0.000 1.118 426 S HN 0.883 nan 8.310 nan 0.000 0.461 427 V N 3.162 122.995 119.914 -0.135 0.000 2.465 427 V HA 0.415 4.535 4.120 0.000 0.000 0.279 427 V C 0.054 176.080 176.094 -0.113 0.000 1.045 427 V CA -0.183 62.033 62.300 -0.140 0.000 0.938 427 V CB 0.846 32.485 31.823 -0.306 0.000 0.986 427 V HN 0.966 nan 8.190 nan 0.000 0.467 428 H N 2.200 121.409 119.070 0.232 0.000 3.182 428 H HA 0.296 4.852 4.556 0.000 0.000 0.254 428 H C 0.286 175.877 175.328 0.439 0.000 1.197 428 H CA 0.437 56.728 56.048 0.404 0.000 1.061 428 H CB 1.276 31.210 29.762 0.288 0.000 1.722 428 H HN 0.753 nan 8.280 nan 0.000 0.662 429 S N -0.589 115.373 115.700 0.436 0.000 2.596 429 S HA 0.311 4.781 4.470 0.000 0.000 0.270 429 S C -0.481 174.258 174.600 0.231 0.000 1.155 429 S CA -0.911 57.495 58.200 0.344 0.000 0.827 429 S CB 2.120 65.429 63.200 0.182 0.000 1.130 429 S HN 0.245 nan 8.310 nan 0.000 0.467 430 N N -0.200 118.644 118.700 0.239 0.000 2.681 430 N HA -0.132 4.608 4.740 0.000 0.000 0.259 430 N C -0.571 174.997 175.510 0.098 0.000 1.066 430 N CA 0.567 53.689 53.050 0.121 0.000 0.717 430 N CB -1.456 37.029 38.487 -0.005 0.000 0.885 430 N HN 0.530 nan 8.380 nan 0.000 0.547 431 F N -0.888 119.081 119.950 0.031 0.000 2.780 431 F HA 0.063 4.590 4.527 0.000 0.000 0.299 431 F C 2.219 178.071 175.800 0.088 0.000 1.146 431 F CA 1.092 59.156 58.000 0.107 0.000 1.428 431 F CB 0.186 39.292 39.000 0.178 0.000 1.115 431 F HN 0.326 nan 8.300 nan 0.000 0.583 432 T N -2.860 111.809 114.554 0.191 0.000 3.129 432 T HA 0.271 4.622 4.350 0.000 0.000 0.267 432 T C 0.415 175.152 174.700 0.062 0.000 1.018 432 T CA -0.180 61.994 62.100 0.124 0.000 0.903 432 T CB -0.345 68.587 68.868 0.106 0.000 1.067 432 T HN -0.231 nan 8.240 nan 0.000 0.549 433 L N 4.292 125.528 121.223 0.021 0.000 2.506 433 L HA 0.180 4.520 4.340 0.000 0.000 0.281 433 L C 0.688 177.559 176.870 0.002 0.000 1.228 433 L CA -0.021 54.813 54.840 -0.010 0.000 0.850 433 L CB 0.145 42.167 42.059 -0.062 0.000 1.110 433 L HN 0.429 nan 8.230 nan 0.000 0.496 434 D N 2.008 122.410 120.400 0.004 0.000 2.378 434 D HA 0.010 4.650 4.640 0.000 0.000 0.238 434 D C 0.928 177.231 176.300 0.004 0.000 1.180 434 D CA 0.308 54.315 54.000 0.011 0.000 0.895 434 D CB 0.645 41.450 40.800 0.010 0.000 1.192 434 D HN 0.588 nan 8.370 nan 0.000 0.438 435 A N 1.949 124.779 122.820 0.016 0.000 1.903 435 A HA -0.166 4.154 4.320 0.000 0.000 0.219 435 A C 2.252 179.837 177.584 0.002 0.000 1.191 435 A CA 3.001 55.049 52.037 0.018 0.000 0.638 435 A CB -1.135 17.882 19.000 0.027 0.000 0.823 435 A HN 0.763 nan 8.150 nan 0.000 0.451 436 A N -1.342 121.478 122.820 0.001 0.000 1.930 436 A HA -0.120 4.200 4.320 0.000 0.000 0.217 436 A C 2.272 179.846 177.584 -0.016 0.000 1.175 436 A CA 1.407 53.442 52.037 -0.004 0.000 0.627 436 A CB -0.429 18.572 19.000 0.001 0.000 0.815 436 A HN 0.418 nan 8.150 nan 0.000 0.443 437 R N -0.921 119.566 120.500 -0.022 0.000 2.090 437 R HA -0.108 4.232 4.340 0.000 0.000 0.228 437 R C 2.341 178.604 176.300 -0.062 0.000 1.110 437 R CA 1.702 57.780 56.100 -0.036 0.000 0.973 437 R CB -0.350 29.931 30.300 -0.032 0.000 0.869 437 R HN 0.683 nan 8.270 nan 0.000 0.440 438 Q N -0.182 119.572 119.800 -0.076 0.000 2.079 438 Q HA -0.069 4.271 4.340 0.000 0.000 0.200 438 Q C 1.738 177.671 176.000 -0.111 0.000 0.974 438 Q CA 2.084 57.805 55.803 -0.137 0.000 0.840 438 Q CB -0.153 28.494 28.738 -0.152 0.000 0.898 438 Q HN 0.162 nan 8.270 nan 0.000 0.430 439 T N 0.433 114.953 114.554 -0.056 0.000 2.708 439 T HA -0.189 4.161 4.350 0.000 0.000 0.266 439 T C 1.492 176.167 174.700 -0.041 0.000 1.037 439 T CA 1.472 63.551 62.100 -0.036 0.000 1.146 439 T CB -0.302 68.560 68.868 -0.010 0.000 0.865 439 T HN 0.479 nan 8.240 nan 0.000 0.435 440 E N 0.969 121.146 120.200 -0.037 0.000 2.118 440 E HA -0.213 4.137 4.350 0.000 0.000 0.195 440 E C 2.416 178.989 176.600 -0.044 0.000 0.992 440 E CA 0.919 57.300 56.400 -0.033 0.000 0.804 440 E CB -0.058 29.626 29.700 -0.026 0.000 0.741 440 E HN 0.356 nan 8.360 nan 0.000 0.458 441 R N 0.305 120.765 120.500 -0.066 0.000 2.080 441 R HA -0.164 4.176 4.340 0.000 0.000 0.236 441 R C 2.411 178.663 176.300 -0.080 0.000 1.137 441 R CA 1.531 57.583 56.100 -0.081 0.000 0.943 441 R CB -0.286 29.939 30.300 -0.125 0.000 0.846 441 R HN 0.240 nan 8.270 nan 0.000 0.431 442 L N 0.433 121.602 121.223 -0.091 0.000 2.109 442 L HA -0.075 4.265 4.340 0.000 0.000 0.207 442 L C 2.424 179.264 176.870 -0.051 0.000 1.086 442 L CA 0.842 55.635 54.840 -0.078 0.000 0.760 442 L CB -0.166 41.846 42.059 -0.078 0.000 0.910 442 L HN 0.247 nan 8.230 nan 0.000 0.437 443 I N -0.400 120.145 120.570 -0.042 0.000 2.208 443 I HA -0.334 3.836 4.170 0.000 0.000 0.245 443 I C 2.780 178.886 176.117 -0.018 0.000 1.097 443 I CA 1.205 62.488 61.300 -0.028 0.000 1.363 443 I CB -0.235 37.753 38.000 -0.021 0.000 1.051 443 I HN 0.249 nan 8.210 nan 0.000 0.413 444 R N 1.541 122.030 120.500 -0.018 0.000 2.091 444 R HA -0.166 4.174 4.340 0.000 0.000 0.238 444 R C 2.232 178.541 176.300 0.015 0.000 1.136 444 R CA 1.901 57.998 56.100 -0.004 0.000 0.959 444 R CB -0.448 29.847 30.300 -0.009 0.000 0.856 444 R HN 0.335 nan 8.270 nan 0.000 0.437 445 A N 0.279 123.098 122.820 -0.002 0.000 1.897 445 A HA -0.058 4.262 4.320 0.000 0.000 0.215 445 A C 2.157 179.753 177.584 0.019 0.000 1.181 445 A CA 1.452 53.492 52.037 0.006 0.000 0.620 445 A CB -0.636 18.341 19.000 -0.038 0.000 0.821 445 A HN 0.349 nan 8.150 nan 0.000 0.443 446 V N -3.241 116.672 119.914 -0.003 0.000 3.510 446 V HA 0.059 4.179 4.120 0.000 0.000 0.270 446 V C 1.490 177.595 176.094 0.017 0.000 1.201 446 V CA 1.829 64.127 62.300 -0.002 0.000 1.166 446 V CB -0.269 31.535 31.823 -0.031 0.000 0.825 446 V HN 0.277 nan 8.190 nan 0.000 0.484 447 S N -0.967 114.750 115.700 0.028 0.000 2.556 447 S HA 0.150 4.620 4.470 0.000 0.000 0.216 447 S C 0.827 175.449 174.600 0.036 0.000 0.970 447 S CA -0.315 57.896 58.200 0.019 0.000 0.912 447 S CB -0.528 62.672 63.200 0.001 0.000 0.790 447 S HN 0.809 nan 8.310 nan 0.000 0.504 448 H N 2.607 121.664 119.070 -0.022 0.000 2.897 448 H HA 0.073 4.629 4.556 0.000 0.000 0.347 448 H C -2.081 173.236 175.328 -0.019 0.000 1.068 448 H CA -1.006 55.031 56.048 -0.018 0.000 1.426 448 H CB 1.178 30.931 29.762 -0.015 0.000 1.410 448 H HN -0.029 nan 8.280 nan 0.000 0.597 449 P HA -0.067 nan 4.420 nan 0.000 0.220 449 P C 1.344 178.714 177.300 0.118 0.000 1.148 449 P CA 1.045 64.125 63.100 -0.034 0.000 0.803 449 P CB 0.320 31.936 31.700 -0.140 0.000 0.782 450 L N -2.197 119.257 121.223 0.385 0.000 2.554 450 L HA 0.107 4.447 4.340 0.000 0.000 0.225 450 L C 0.471 177.405 176.870 0.106 0.000 1.104 450 L CA -0.118 54.848 54.840 0.210 0.000 0.866 450 L CB -0.012 42.169 42.059 0.204 0.000 1.047 450 L HN -0.257 nan 8.230 nan 0.000 0.468 451 V N 0.612 120.594 119.914 0.115 0.000 2.585 451 V HA -0.076 4.044 4.120 0.000 0.000 0.296 451 V C 1.470 177.598 176.094 0.057 0.000 1.035 451 V CA 1.071 63.388 62.300 0.029 0.000 1.084 451 V CB 1.233 33.069 31.823 0.020 0.000 0.953 451 V HN 0.342 nan 8.190 nan 0.000 0.483 452 T N 3.760 118.361 114.554 0.079 0.000 3.026 452 T HA 0.186 4.536 4.350 0.000 0.000 0.245 452 T C 0.237 175.031 174.700 0.157 0.000 1.004 452 T CA 0.346 62.532 62.100 0.143 0.000 1.069 452 T CB 0.436 69.438 68.868 0.223 0.000 1.005 452 T HN 0.324 nan 8.240 nan 0.000 0.472 453 V N 2.522 122.511 119.914 0.125 0.000 2.709 453 V HA 0.623 4.744 4.120 0.000 0.000 0.308 453 V C -1.050 175.049 176.094 0.008 0.000 1.062 453 V CA -1.214 61.142 62.300 0.093 0.000 0.901 453 V CB 1.834 33.745 31.823 0.147 0.000 1.003 453 V HN 0.440 nan 8.190 nan 0.000 0.425 454 L N 4.180 125.398 121.223 -0.009 0.000 2.260 454 L HA 0.786 5.126 4.340 0.000 0.000 0.289 454 L C 0.693 177.517 176.870 -0.076 0.000 1.057 454 L CA 0.486 55.293 54.840 -0.055 0.000 0.811 454 L CB 0.635 42.663 42.059 -0.051 0.000 1.184 454 L HN 0.791 nan 8.230 nan 0.000 0.429 455 G N 2.831 111.522 108.800 -0.181 0.000 2.503 455 G HA2 0.267 4.227 3.960 0.000 0.000 0.257 455 G HA3 0.267 4.227 3.960 0.000 0.000 0.257 455 G C -0.501 174.164 174.900 -0.391 0.000 1.214 455 G CA -0.133 44.792 45.100 -0.291 0.000 0.839 455 G HN 1.153 nan 8.290 nan 0.000 0.559 456 H N -1.006 118.152 119.070 0.146 0.000 1.513 456 H HA -0.130 4.426 4.556 0.000 0.000 0.319 456 H C 1.485 176.846 175.328 0.056 0.000 0.750 456 H CA 0.403 56.517 56.048 0.110 0.000 1.080 456 H CB -1.341 28.501 29.762 0.133 0.000 1.444 456 H HN 0.686 nan 8.280 nan 0.000 0.233 457 A N 2.815 125.690 122.820 0.091 0.000 1.940 457 A HA -0.300 4.020 4.320 0.000 0.000 0.221 457 A C 2.489 180.121 177.584 0.080 0.000 1.190 457 A CA 2.365 54.438 52.037 0.059 0.000 0.647 457 A CB -0.797 18.214 19.000 0.019 0.000 0.821 457 A HN 0.741 nan 8.150 nan 0.000 0.457 458 T N -2.232 112.304 114.554 -0.030 0.000 3.057 458 T HA 0.370 4.720 4.350 0.000 0.000 0.254 458 T C 1.420 175.663 174.700 -0.763 0.000 1.094 458 T CA 1.235 63.150 62.100 -0.308 0.000 1.088 458 T CB 0.107 68.865 68.868 -0.184 0.000 0.934 458 T HN 1.548 nan 8.240 nan 0.000 0.497 459 G N 2.669 111.298 108.800 -0.284 0.000 2.184 459 G HA2 -0.308 3.652 3.960 0.000 0.000 0.264 459 G HA3 -0.308 3.652 3.960 0.000 0.000 0.264 459 G C 0.351 175.222 174.900 -0.049 0.000 0.975 459 G CA 0.409 45.426 45.100 -0.138 0.000 0.642 459 G HN 0.674 nan 8.290 nan 0.000 0.536 460 R N 0.223 120.652 120.500 -0.118 0.000 2.698 460 R HA 0.407 4.747 4.340 0.000 0.000 0.266 460 R C -0.588 175.697 176.300 -0.025 0.000 1.026 460 R CA 0.125 56.191 56.100 -0.057 0.000 1.102 460 R CB 0.089 30.354 30.300 -0.059 0.000 0.978 460 R HN 0.357 nan 8.270 nan 0.000 0.436 461 L N 5.155 126.368 121.223 -0.018 0.000 2.415 461 L HA 0.252 4.592 4.340 0.000 0.000 0.268 461 L C -0.589 176.274 176.870 -0.012 0.000 0.984 461 L CA -1.257 53.572 54.840 -0.018 0.000 0.853 461 L CB 1.705 43.747 42.059 -0.028 0.000 1.215 461 L HN 0.522 nan 8.230 nan 0.000 0.419 462 L N 5.252 126.472 121.223 -0.006 0.000 2.601 462 L HA -0.044 4.296 4.340 0.000 0.000 0.277 462 L C 1.204 178.074 176.870 0.000 0.000 1.219 462 L CA 0.849 55.687 54.840 -0.002 0.000 0.915 462 L CB -0.130 41.927 42.059 -0.002 0.000 1.160 462 L HN 0.670 nan 8.230 nan 0.000 0.494 463 L N 1.342 122.567 121.223 0.004 0.000 4.759 463 L HA -0.336 4.005 4.340 0.000 0.000 0.419 463 L C 1.503 178.378 176.870 0.009 0.000 1.093 463 L CA 1.089 55.935 54.840 0.011 0.000 1.037 463 L CB -1.047 41.024 42.059 0.020 0.000 2.095 463 L HN 0.809 nan 8.230 nan 0.000 0.739 464 R N 0.933 121.432 120.500 -0.001 0.000 2.977 464 R HA 0.226 4.566 4.340 0.000 0.000 0.161 464 R C 0.203 176.492 176.300 -0.017 0.000 0.805 464 R CA 0.612 56.706 56.100 -0.011 0.000 1.044 464 R CB 0.763 31.050 30.300 -0.021 0.000 1.433 464 R HN 0.398 nan 8.270 nan 0.000 0.570 465 R N 0.937 121.426 120.500 -0.019 0.000 2.566 465 R HA 0.507 4.847 4.340 0.000 0.000 0.271 465 R C -2.947 173.350 176.300 -0.004 0.000 1.071 465 R CA -1.808 54.284 56.100 -0.014 0.000 0.915 465 R CB 1.961 32.240 30.300 -0.036 0.000 1.228 465 R HN -0.049 nan 8.270 nan 0.000 0.449 466 P HA 0.120 nan 4.420 nan 0.000 0.273 466 P C -0.043 177.255 177.300 -0.002 0.000 1.250 466 P CA -0.118 62.982 63.100 -0.001 0.000 0.793 466 P CB 0.525 32.230 31.700 0.009 0.000 1.011 467 G N -0.271 108.493 108.800 -0.060 0.000 2.634 467 G HA2 0.343 4.303 3.960 0.000 0.000 0.255 467 G HA3 0.343 4.303 3.960 0.000 0.000 0.255 467 G C -0.518 174.318 174.900 -0.107 0.000 1.205 467 G CA -0.618 44.369 45.100 -0.189 0.000 0.884 467 G HN 0.498 nan 8.290 nan 0.000 0.549 468 Y N -1.279 119.073 120.300 0.086 0.000 2.357 468 Y HA 0.486 5.036 4.550 0.000 0.000 0.340 468 Y C 0.708 176.616 175.900 0.013 0.000 1.260 468 Y CA -0.953 57.174 58.100 0.046 0.000 1.425 468 Y CB 0.426 38.845 38.460 -0.069 0.000 1.326 468 Y HN 0.538 nan 8.280 nan 0.000 0.580 469 A N 4.661 127.615 122.820 0.224 0.000 2.444 469 A HA 0.536 4.856 4.320 0.000 0.000 0.273 469 A C -0.324 177.342 177.584 0.137 0.000 1.136 469 A CA -0.419 51.699 52.037 0.135 0.000 0.799 469 A CB -0.956 18.098 19.000 0.090 0.000 1.081 469 A HN 0.887 nan 8.150 nan 0.000 0.509 470 L N -0.285 121.010 121.223 0.120 0.000 2.630 470 L HA 0.726 5.066 4.340 0.000 0.000 0.258 470 L C -1.255 175.650 176.870 0.058 0.000 1.072 470 L CA -1.026 53.866 54.840 0.087 0.000 0.885 470 L CB 1.976 44.110 42.059 0.124 0.000 1.502 470 L HN 0.369 nan 8.230 nan 0.000 0.406 471 D N 1.385 121.809 120.400 0.041 0.000 2.500 471 D HA 0.265 4.906 4.640 0.000 0.000 0.219 471 D C 0.932 177.252 176.300 0.033 0.000 1.137 471 D CA -0.198 53.826 54.000 0.039 0.000 0.946 471 D CB 0.759 41.581 40.800 0.036 0.000 1.022 471 D HN 0.694 nan 8.370 nan 0.000 0.518 472 L N 2.404 123.646 121.223 0.032 0.000 2.043 472 L HA -0.204 4.136 4.340 0.000 0.000 0.212 472 L C 1.037 177.895 176.870 -0.020 0.000 1.075 472 L CA 1.489 56.328 54.840 -0.002 0.000 0.752 472 L CB 0.034 42.092 42.059 -0.002 0.000 0.891 472 L HN 0.366 nan 8.230 nan 0.000 0.432 473 D N -0.227 120.225 120.400 0.086 0.000 2.123 473 D HA -0.162 4.478 4.640 0.000 0.000 0.196 473 D C 2.159 178.551 176.300 0.154 0.000 0.992 473 D CA 1.407 55.543 54.000 0.227 0.000 0.833 473 D CB -0.005 40.981 40.800 0.311 0.000 0.954 473 D HN 0.407 nan 8.370 nan 0.000 0.455 474 A N 0.327 123.199 122.820 0.086 0.000 1.877 474 A HA -0.150 4.170 4.320 0.000 0.000 0.216 474 A C 2.505 180.088 177.584 -0.002 0.000 1.186 474 A CA 1.420 53.491 52.037 0.056 0.000 0.620 474 A CB -0.789 18.234 19.000 0.038 0.000 0.822 474 A HN 0.151 nan 8.150 nan 0.000 0.443 475 V N 0.255 120.143 119.914 -0.043 0.000 2.295 475 V HA -0.257 3.863 4.120 0.000 0.000 0.246 475 V C 2.564 178.556 176.094 -0.170 0.000 1.049 475 V CA 1.927 64.177 62.300 -0.083 0.000 1.024 475 V CB -0.824 30.956 31.823 -0.073 0.000 0.648 475 V HN 0.563 nan 8.190 nan 0.000 0.447 476 L N 0.409 121.436 121.223 -0.325 0.000 2.083 476 L HA -0.107 4.233 4.340 0.000 0.000 0.209 476 L C 2.658 179.216 176.870 -0.520 0.000 1.083 476 L CA 1.701 56.147 54.840 -0.658 0.000 0.752 476 L CB -1.227 39.967 42.059 -1.443 0.000 0.899 476 L HN 0.497 nan 8.230 nan 0.000 0.433 477 G N -0.236 108.446 108.800 -0.197 0.000 2.440 477 G HA2 -0.266 3.694 3.960 0.000 0.000 0.218 477 G HA3 -0.266 3.694 3.960 0.000 0.000 0.218 477 G C 1.764 176.686 174.900 0.037 0.000 1.154 477 G CA 0.821 45.994 45.100 0.121 0.000 0.767 477 G HN 0.475 nan 8.290 nan 0.000 0.552 478 A N -0.237 122.572 122.820 -0.017 0.000 1.972 478 A HA -0.040 4.280 4.320 0.000 0.000 0.219 478 A C 2.557 180.122 177.584 -0.032 0.000 1.169 478 A CA 1.714 53.741 52.037 -0.017 0.000 0.635 478 A CB -0.854 18.131 19.000 -0.024 0.000 0.810 478 A HN 0.426 nan 8.150 nan 0.000 0.446 479 C N -0.993 118.261 119.300 -0.076 0.000 2.453 479 C HA -0.072 4.388 4.460 0.000 0.000 0.277 479 C C 2.650 177.616 174.990 -0.040 0.000 1.262 479 C CA 1.151 60.122 59.018 -0.077 0.000 1.718 479 C CB -1.043 26.610 27.740 -0.145 0.000 2.031 479 C HN 0.785 nan 8.230 nan 0.000 0.480 480 E N 1.029 121.219 120.200 -0.015 0.000 2.077 480 E HA -0.199 4.151 4.350 0.000 0.000 0.193 480 E C 2.147 178.773 176.600 0.044 0.000 0.989 480 E CA 1.410 57.843 56.400 0.054 0.000 0.800 480 E CB -0.174 29.632 29.700 0.177 0.000 0.746 480 E HN 0.594 nan 8.360 nan 0.000 0.452 481 A N 0.636 123.479 122.820 0.038 0.000 2.067 481 A HA -0.125 4.195 4.320 0.000 0.000 0.219 481 A C 1.836 179.423 177.584 0.006 0.000 1.158 481 A CA 1.464 53.516 52.037 0.026 0.000 0.661 481 A CB -0.279 18.736 19.000 0.026 0.000 0.801 481 A HN 0.246 nan 8.150 nan 0.000 0.452 482 N N -1.484 117.215 118.700 -0.001 0.000 2.205 482 N HA 0.213 4.953 4.740 0.000 0.000 0.201 482 N C 0.919 176.420 175.510 -0.015 0.000 1.128 482 N CA 0.924 53.968 53.050 -0.010 0.000 0.867 482 N CB 0.273 38.756 38.487 -0.006 0.000 0.996 482 N HN 0.445 nan 8.380 nan 0.000 0.503 483 G N 0.448 109.243 108.800 -0.008 0.000 2.203 483 G HA2 -0.299 3.661 3.960 0.000 0.000 0.263 483 G HA3 -0.299 3.661 3.960 0.000 0.000 0.263 483 G C 0.234 175.142 174.900 0.013 0.000 1.012 483 G CA 1.017 46.113 45.100 -0.007 0.000 0.749 483 G HN 0.556 nan 8.290 nan 0.000 0.512 484 T N -0.932 113.628 114.554 0.010 0.000 2.832 484 T HA 0.510 4.860 4.350 0.000 0.000 0.296 484 T C 0.825 175.538 174.700 0.022 0.000 0.968 484 T CA 0.209 62.328 62.100 0.031 0.000 1.107 484 T CB 1.364 70.240 68.868 0.014 0.000 0.916 484 T HN 1.621 nan 8.240 nan 0.000 0.517 485 V N 5.722 125.682 119.914 0.078 0.000 2.686 485 V HA 0.626 4.746 4.120 0.000 0.000 0.295 485 V C 0.124 176.217 176.094 -0.002 0.000 1.055 485 V CA -0.490 61.830 62.300 0.033 0.000 1.050 485 V CB 1.144 33.030 31.823 0.105 0.000 0.984 485 V HN 0.861 nan 8.190 nan 0.000 0.482 486 V N 6.039 125.909 119.914 -0.073 0.000 2.472 486 V HA 0.538 4.658 4.120 0.000 0.000 0.290 486 V C 0.068 176.241 176.094 0.133 0.000 1.037 486 V CA -0.424 61.870 62.300 -0.009 0.000 0.908 486 V CB 1.488 33.268 31.823 -0.071 0.000 0.985 486 V HN 1.183 nan 8.190 nan 0.000 0.454 487 E N 5.491 125.770 120.200 0.132 0.000 2.313 487 E HA 0.363 4.713 4.350 0.000 0.000 0.276 487 E C -0.802 175.926 176.600 0.212 0.000 1.031 487 E CA -0.559 55.948 56.400 0.178 0.000 0.857 487 E CB 1.129 30.923 29.700 0.157 0.000 1.040 487 E HN 0.775 nan 8.360 nan 0.000 0.408 488 I N 4.960 125.659 120.570 0.214 0.000 2.361 488 I HA 0.100 4.270 4.170 0.000 0.000 0.282 488 I C 0.243 176.458 176.117 0.163 0.000 1.075 488 I CA -0.567 60.837 61.300 0.174 0.000 1.205 488 I CB 0.531 38.607 38.000 0.127 0.000 1.406 488 I HN 0.483 nan 8.210 nan 0.000 0.481 489 N N 4.731 123.542 118.700 0.185 0.000 2.427 489 N HA 0.080 4.820 4.740 0.000 0.000 0.269 489 N C 0.856 176.457 175.510 0.152 0.000 1.235 489 N CA 0.134 53.301 53.050 0.195 0.000 0.934 489 N CB 1.581 40.224 38.487 0.260 0.000 1.121 489 N HN 0.712 nan 8.380 nan 0.000 0.480 490 A N 3.921 126.820 122.820 0.132 0.000 2.167 490 A HA -0.090 4.230 4.320 0.000 0.000 0.214 490 A C 1.110 178.790 177.584 0.159 0.000 1.151 490 A CA 0.043 52.163 52.037 0.137 0.000 0.735 490 A CB -0.294 18.769 19.000 0.105 0.000 0.802 490 A HN 0.800 nan 8.150 nan 0.000 0.467 491 N N 0.928 119.705 118.700 0.128 0.000 2.365 491 N HA 0.087 4.828 4.740 0.000 0.000 0.265 491 N C 1.165 176.702 175.510 0.046 0.000 1.288 491 N CA 0.600 53.710 53.050 0.101 0.000 0.869 491 N CB 0.774 39.322 38.487 0.100 0.000 1.071 491 N HN 0.213 nan 8.380 nan 0.000 0.480 492 A N 4.001 126.792 122.820 -0.048 0.000 2.076 492 A HA -0.103 4.217 4.320 0.000 0.000 0.220 492 A C 1.878 179.408 177.584 -0.089 0.000 1.160 492 A CA 1.795 53.722 52.037 -0.183 0.000 0.653 492 A CB -0.326 18.391 19.000 -0.472 0.000 0.801 492 A HN 0.789 nan 8.150 nan 0.000 0.455 493 A N -1.389 121.409 122.820 -0.037 0.000 2.218 493 A HA 0.219 4.539 4.320 0.000 0.000 0.209 493 A C 2.066 179.651 177.584 0.002 0.000 1.168 493 A CA 0.657 52.685 52.037 -0.016 0.000 0.804 493 A CB -0.059 18.938 19.000 -0.005 0.000 0.834 493 A HN 0.539 nan 8.150 nan 0.000 0.482 494 R N -1.391 119.122 120.500 0.022 0.000 2.107 494 R HA 0.397 4.737 4.340 0.000 0.000 0.195 494 R C -0.103 176.234 176.300 0.062 0.000 1.214 494 R CA 0.100 56.224 56.100 0.041 0.000 1.129 494 R CB -0.282 30.058 30.300 0.068 0.000 1.045 494 R HN 0.264 nan 8.270 nan 0.000 0.489 495 L N 3.344 124.619 121.223 0.086 0.000 3.879 495 L HA -0.234 4.106 4.340 0.000 0.000 0.481 495 L C -1.064 175.873 176.870 0.111 0.000 1.232 495 L CA 0.416 55.322 54.840 0.109 0.000 0.736 495 L CB -1.598 40.526 42.059 0.108 0.000 1.511 495 L HN 0.418 nan 8.230 nan 0.000 0.830 496 D N 0.554 121.026 120.400 0.121 0.000 2.966 496 D HA 0.371 5.011 4.640 0.000 0.000 0.222 496 D C -0.575 175.814 176.300 0.147 0.000 1.292 496 D CA -0.634 53.432 54.000 0.110 0.000 0.907 496 D CB 1.465 42.319 40.800 0.090 0.000 1.621 496 D HN 0.078 nan 8.370 nan 0.000 0.557 497 L N 3.010 124.314 121.223 0.134 0.000 2.559 497 L HA 0.188 4.528 4.340 0.000 0.000 0.282 497 L C 0.171 177.090 176.870 0.082 0.000 1.232 497 L CA 0.435 55.335 54.840 0.099 0.000 0.885 497 L CB 0.324 42.464 42.059 0.134 0.000 1.131 497 L HN 0.489 nan 8.230 nan 0.000 0.498 498 D N 4.224 124.641 120.400 0.028 0.000 2.472 498 D HA -0.110 4.530 4.640 0.000 0.000 0.237 498 D C 0.972 177.261 176.300 -0.017 0.000 1.141 498 D CA 0.479 54.465 54.000 -0.024 0.000 0.875 498 D CB 0.463 41.183 40.800 -0.134 0.000 1.192 498 D HN 0.561 nan 8.370 nan 0.000 0.450 499 W N 4.059 125.365 121.300 0.009 0.000 2.421 499 W HA -0.109 4.552 4.660 0.000 0.000 0.270 499 W C 1.162 177.679 176.519 -0.003 0.000 1.233 499 W CA -0.002 57.338 57.345 -0.009 0.000 1.226 499 W CB -0.528 28.937 29.460 0.008 0.000 1.121 499 W HN 0.385 nan 8.180 nan 0.000 0.579 500 R N 0.719 120.747 120.500 -0.786 0.000 2.092 500 R HA -0.116 4.224 4.340 0.000 0.000 0.231 500 R C 2.252 178.427 176.300 -0.208 0.000 1.119 500 R CA 1.754 57.419 56.100 -0.726 0.000 0.970 500 R CB -0.206 29.585 30.300 -0.848 0.000 0.864 500 R HN 0.053 nan 8.270 nan 0.000 0.440 501 E N 0.376 120.518 120.200 -0.096 0.000 2.158 501 E HA -0.060 4.290 4.350 0.000 0.000 0.191 501 E C 1.933 178.679 176.600 0.244 0.000 0.982 501 E CA 1.049 57.511 56.400 0.103 0.000 0.823 501 E CB -0.087 29.656 29.700 0.071 0.000 0.766 501 E HN 0.323 nan 8.360 nan 0.000 0.468 502 A N 1.370 124.277 122.820 0.145 0.000 1.930 502 A HA -0.133 4.187 4.320 0.000 0.000 0.217 502 A C 2.223 179.884 177.584 0.127 0.000 1.175 502 A CA 0.987 53.084 52.037 0.100 0.000 0.627 502 A CB -0.508 18.367 19.000 -0.208 0.000 0.815 502 A HN 0.229 nan 8.150 nan 0.000 0.443 503 L N -0.082 121.219 121.223 0.131 0.000 2.046 503 L HA -0.120 4.220 4.340 0.000 0.000 0.208 503 L C 2.359 179.296 176.870 0.111 0.000 1.077 503 L CA 1.926 56.843 54.840 0.129 0.000 0.747 503 L CB -0.507 41.645 42.059 0.153 0.000 0.896 503 L HN 0.345 nan 8.230 nan 0.000 0.432 504 R N -2.297 118.281 120.500 0.130 0.000 2.148 504 R HA -0.130 4.210 4.340 0.000 0.000 0.223 504 R C 1.202 177.503 176.300 0.001 0.000 1.088 504 R CA 1.560 57.689 56.100 0.049 0.000 0.985 504 R CB -0.241 30.089 30.300 0.050 0.000 0.880 504 R HN 0.425 nan 8.270 nan 0.000 0.451 505 W N 0.637 122.020 121.300 0.139 0.000 3.005 505 W HA 0.171 4.831 4.660 0.000 0.000 0.374 505 W C 1.311 178.007 176.519 0.294 0.000 1.076 505 W CA -0.577 56.885 57.345 0.195 0.000 1.794 505 W CB 0.411 30.003 29.460 0.219 0.000 1.113 505 W HN 0.017 nan 8.180 nan 0.000 0.584 506 R N 0.263 121.013 120.500 0.416 0.000 2.200 506 R HA -0.105 4.235 4.340 0.000 0.000 0.234 506 R C 1.058 177.583 176.300 0.374 0.000 1.127 506 R CA 1.446 57.772 56.100 0.377 0.000 0.989 506 R CB -0.411 29.924 30.300 0.058 0.000 0.869 506 R HN 0.143 nan 8.270 nan 0.000 0.459 507 E N 0.816 121.176 120.200 0.267 0.000 2.385 507 E HA 0.017 4.367 4.350 0.000 0.000 0.194 507 E C 1.451 178.175 176.600 0.207 0.000 1.013 507 E CA 0.425 56.957 56.400 0.221 0.000 0.866 507 E CB 0.294 30.060 29.700 0.109 0.000 0.832 507 E HN 0.477 nan 8.360 nan 0.000 0.500 508 R N -0.169 120.481 120.500 0.250 0.000 2.419 508 R HA 0.325 4.665 4.340 0.000 0.000 0.235 508 R C 0.569 176.999 176.300 0.217 0.000 0.899 508 R CA 0.088 56.332 56.100 0.240 0.000 1.048 508 R CB 1.054 31.525 30.300 0.286 0.000 1.182 508 R HN -0.016 nan 8.270 nan 0.000 0.544 509 L N 0.761 122.072 121.223 0.147 0.000 2.354 509 L HA 0.466 4.806 4.340 0.000 0.000 0.264 509 L C -0.387 176.326 176.870 -0.262 0.000 1.008 509 L CA -0.987 53.754 54.840 -0.165 0.000 0.819 509 L CB 2.289 44.043 42.059 -0.508 0.000 1.339 509 L HN -0.246 nan 8.230 nan 0.000 0.420 510 K N 1.199 121.453 120.400 -0.244 0.000 2.130 510 K HA 0.610 4.930 4.320 0.000 0.000 0.268 510 K C -1.352 175.050 176.600 -0.331 0.000 0.983 510 K CA -0.409 55.810 56.287 -0.114 0.000 0.893 510 K CB 1.468 34.008 32.500 0.067 0.000 1.066 510 K HN 0.203 nan 8.250 nan 0.000 0.450 511 F N 0.288 120.315 119.950 0.129 0.000 2.541 511 F HA 0.577 5.104 4.527 0.000 0.000 0.331 511 F C 0.074 175.913 175.800 0.065 0.000 1.057 511 F CA -1.024 57.035 58.000 0.099 0.000 0.975 511 F CB 1.702 40.766 39.000 0.107 0.000 1.246 511 F HN 0.413 nan 8.300 nan 0.000 0.484 512 A N 1.848 124.826 122.820 0.263 0.000 2.357 512 A HA 0.700 5.020 4.320 0.000 0.000 0.295 512 A C -0.978 176.690 177.584 0.140 0.000 1.121 512 A CA -0.521 51.604 52.037 0.147 0.000 0.742 512 A CB 0.312 19.380 19.000 0.113 0.000 1.181 512 A HN 0.703 nan 8.150 nan 0.000 0.454 513 I N 3.486 124.105 120.570 0.083 0.000 2.278 513 I HA 0.150 4.320 4.170 0.000 0.000 0.296 513 I C -0.550 175.580 176.117 0.021 0.000 1.121 513 I CA -0.308 61.028 61.300 0.059 0.000 1.267 513 I CB 0.070 38.087 38.000 0.028 0.000 1.447 513 I HN 0.467 nan 8.210 nan 0.000 0.509 514 N N 3.553 122.294 118.700 0.069 0.000 2.362 514 N HA 0.237 4.977 4.740 0.000 0.000 0.298 514 N C 1.051 176.587 175.510 0.043 0.000 1.048 514 N CA -0.488 52.596 53.050 0.057 0.000 0.858 514 N CB 1.931 40.523 38.487 0.175 0.000 1.218 514 N HN 0.508 nan 8.380 nan 0.000 0.488 515 T N -2.644 111.901 114.554 -0.015 0.000 2.985 515 T HA -0.075 4.275 4.350 0.000 0.000 0.266 515 T C 0.473 175.170 174.700 -0.005 0.000 1.076 515 T CA 0.488 62.589 62.100 0.002 0.000 1.135 515 T CB -0.076 68.779 68.868 -0.022 0.000 0.890 515 T HN 0.518 nan 8.240 nan 0.000 0.480 516 D N 1.431 121.753 120.400 -0.129 0.000 2.772 516 D HA -0.153 4.487 4.640 0.000 0.000 0.233 516 D C 0.137 176.457 176.300 0.034 0.000 1.143 516 D CA 0.670 54.531 54.000 -0.232 0.000 0.700 516 D CB -1.587 39.145 40.800 -0.114 0.000 1.076 516 D HN 0.916 nan 8.370 nan 0.000 0.430 517 A N 0.222 123.047 122.820 0.008 0.000 2.524 517 A HA 0.220 4.541 4.320 0.000 0.000 0.250 517 A C 0.776 178.386 177.584 0.044 0.000 1.078 517 A CA 0.393 52.464 52.037 0.056 0.000 0.761 517 A CB 0.174 19.177 19.000 0.006 0.000 1.012 517 A HN 0.460 nan 8.150 nan 0.000 0.500 518 H N 0.724 119.831 119.070 0.061 0.000 2.586 518 H HA 0.467 5.023 4.556 0.000 0.000 0.273 518 H C -0.343 174.941 175.328 -0.074 0.000 0.997 518 H CA 0.436 56.546 56.048 0.102 0.000 1.177 518 H CB 0.578 30.476 29.762 0.226 0.000 1.471 518 H HN 0.331 nan 8.280 nan 0.000 0.538 519 V N -0.091 119.799 119.914 -0.039 0.000 3.147 519 V HA 0.108 4.228 4.120 0.000 0.000 0.299 519 V C -1.783 174.271 176.094 -0.067 0.000 1.302 519 V CA -1.487 60.731 62.300 -0.136 0.000 1.015 519 V CB 2.704 34.334 31.823 -0.321 0.000 1.086 519 V HN -0.027 nan 8.190 nan 0.000 0.437 520 P HA -0.088 nan 4.420 nan 0.000 0.216 520 P C 1.431 178.716 177.300 -0.025 0.000 1.153 520 P CA 1.757 64.841 63.100 -0.026 0.000 0.858 520 P CB 0.197 31.884 31.700 -0.021 0.000 0.789 521 G N -0.584 108.192 108.800 -0.040 0.000 2.509 521 G HA2 -0.161 3.799 3.960 0.000 0.000 0.218 521 G HA3 -0.161 3.799 3.960 0.000 0.000 0.218 521 G C 1.694 176.589 174.900 -0.008 0.000 1.124 521 G CA 0.711 45.795 45.100 -0.026 0.000 0.776 521 G HN 0.381 nan 8.290 nan 0.000 0.547 522 G N 0.826 109.617 108.800 -0.016 0.000 2.470 522 G HA2 -0.095 3.865 3.960 0.000 0.000 0.220 522 G HA3 -0.095 3.865 3.960 0.000 0.000 0.220 522 G C 1.623 176.537 174.900 0.023 0.000 1.121 522 G CA 0.338 45.447 45.100 0.015 0.000 0.766 522 G HN 0.458 nan 8.290 nan 0.000 0.553 523 L N -0.202 121.024 121.223 0.004 0.000 2.362 523 L HA 0.049 4.389 4.340 0.000 0.000 0.219 523 L C 2.690 179.565 176.870 0.009 0.000 1.134 523 L CA 0.447 55.283 54.840 -0.007 0.000 0.807 523 L CB -0.120 41.938 42.059 -0.002 0.000 0.927 523 L HN 0.164 nan 8.230 nan 0.000 0.447 524 R N -0.356 120.153 120.500 0.015 0.000 2.313 524 R HA -0.034 4.306 4.340 0.000 0.000 0.199 524 R C 0.735 177.012 176.300 -0.038 0.000 0.958 524 R CA 0.266 56.361 56.100 -0.008 0.000 1.047 524 R CB -0.166 30.127 30.300 -0.012 0.000 0.955 524 R HN 0.282 nan 8.270 nan 0.000 0.481 525 D N 1.305 121.731 120.400 0.044 0.000 2.317 525 D HA -0.002 4.638 4.640 0.000 0.000 0.211 525 D C 1.794 178.123 176.300 0.048 0.000 0.966 525 D CA 0.627 54.725 54.000 0.163 0.000 0.876 525 D CB 0.041 40.988 40.800 0.244 0.000 0.927 525 D HN 0.168 nan 8.370 nan 0.000 0.519 526 A N 1.401 124.208 122.820 -0.021 0.000 1.958 526 A HA -0.293 4.027 4.320 0.000 0.000 0.221 526 A C 2.150 179.687 177.584 -0.079 0.000 1.178 526 A CA 1.875 53.887 52.037 -0.042 0.000 0.642 526 A CB -0.702 18.259 19.000 -0.066 0.000 0.816 526 A HN 0.260 nan 8.150 nan 0.000 0.453 527 R N -1.437 118.945 120.500 -0.196 0.000 2.127 527 R HA -0.200 4.140 4.340 0.000 0.000 0.238 527 R C 1.722 177.857 176.300 -0.275 0.000 1.134 527 R CA 2.081 58.009 56.100 -0.286 0.000 0.975 527 R CB -0.461 29.578 30.300 -0.434 0.000 0.865 527 R HN 0.657 nan 8.270 nan 0.000 0.447 528 Y N -0.545 119.751 120.300 -0.007 0.000 2.286 528 Y HA 0.129 4.679 4.550 0.000 0.000 0.293 528 Y C 2.650 178.551 175.900 0.003 0.000 1.124 528 Y CA 0.648 58.745 58.100 -0.005 0.000 1.178 528 Y CB -0.371 38.094 38.460 0.008 0.000 1.010 528 Y HN 0.217 nan 8.280 nan 0.000 0.536 529 G N -0.158 108.729 108.800 0.146 0.000 2.422 529 G HA2 -0.204 3.757 3.960 0.000 0.000 0.218 529 G HA3 -0.204 3.757 3.960 0.000 0.000 0.218 529 G C 1.701 176.628 174.900 0.044 0.000 1.146 529 G CA 1.209 46.367 45.100 0.096 0.000 0.769 529 G HN 0.249 nan 8.290 nan 0.000 0.547 530 V N 1.214 121.131 119.914 0.006 0.000 2.407 530 V HA -0.210 3.910 4.120 0.000 0.000 0.248 530 V C 2.911 178.982 176.094 -0.038 0.000 1.055 530 V CA 2.009 64.296 62.300 -0.021 0.000 1.049 530 V CB -0.383 31.415 31.823 -0.042 0.000 0.662 530 V HN 0.396 nan 8.190 nan 0.000 0.455 531 M N -0.881 118.697 119.600 -0.037 0.000 2.159 531 M HA -0.202 4.278 4.480 0.000 0.000 0.263 531 M C 2.357 178.601 176.300 -0.094 0.000 1.063 531 M CA 1.602 56.861 55.300 -0.069 0.000 1.110 531 M CB -0.484 32.092 32.600 -0.039 0.000 1.374 531 M HN 0.315 nan 8.290 nan 0.000 0.411 532 Q N 0.212 119.997 119.800 -0.024 0.000 2.079 532 Q HA -0.015 4.325 4.340 0.000 0.000 0.200 532 Q C 2.319 178.327 176.000 0.013 0.000 0.974 532 Q CA 1.806 57.613 55.803 0.007 0.000 0.840 532 Q CB -0.794 28.025 28.738 0.136 0.000 0.898 532 Q HN 0.580 nan 8.270 nan 0.000 0.430 533 A N 1.419 124.235 122.820 -0.006 0.000 1.933 533 A HA -0.183 4.137 4.320 0.000 0.000 0.218 533 A C 2.181 179.744 177.584 -0.034 0.000 1.175 533 A CA 1.351 53.364 52.037 -0.040 0.000 0.628 533 A CB -0.386 18.592 19.000 -0.038 0.000 0.814 533 A HN 0.267 nan 8.150 nan 0.000 0.444 534 R N -0.328 120.142 120.500 -0.051 0.000 2.115 534 R HA -0.051 4.289 4.340 0.000 0.000 0.226 534 R C 1.994 178.277 176.300 -0.028 0.000 1.100 534 R CA 1.458 57.524 56.100 -0.057 0.000 0.980 534 R CB -0.206 30.020 30.300 -0.124 0.000 0.875 534 R HN 0.483 nan 8.270 nan 0.000 0.445 535 K N 0.353 120.694 120.400 -0.099 0.000 2.211 535 K HA -0.013 4.308 4.320 0.000 0.000 0.203 535 K C 1.859 178.637 176.600 0.296 0.000 1.050 535 K CA 1.198 57.444 56.287 -0.069 0.000 0.945 535 K CB 0.072 32.194 32.500 -0.629 0.000 0.732 535 K HN 0.123 nan 8.250 nan 0.000 0.451 536 A N 0.436 123.384 122.820 0.214 0.000 2.169 536 A HA 0.175 4.495 4.320 0.000 0.000 0.212 536 A C 1.368 179.027 177.584 0.124 0.000 1.153 536 A CA 0.803 52.970 52.037 0.217 0.000 0.756 536 A CB -0.320 18.719 19.000 0.066 0.000 0.813 536 A HN 0.376 nan 8.150 nan 0.000 0.471 537 G N -0.973 107.924 108.800 0.162 0.000 2.142 537 G HA2 -0.178 3.782 3.960 0.000 0.000 0.225 537 G HA3 -0.178 3.782 3.960 0.000 0.000 0.225 537 G C -0.065 174.835 174.900 -0.000 0.000 1.015 537 G CA 0.144 45.334 45.100 0.149 0.000 0.716 537 G HN 0.411 nan 8.290 nan 0.000 0.508 538 L N 1.376 122.567 121.223 -0.053 0.000 2.371 538 L HA 0.583 4.923 4.340 0.000 0.000 0.272 538 L C 1.344 178.280 176.870 0.110 0.000 1.124 538 L CA 0.076 54.857 54.840 -0.097 0.000 0.816 538 L CB 1.102 43.094 42.059 -0.112 0.000 1.129 538 L HN 0.430 nan 8.230 nan 0.000 0.448 539 T N -1.092 113.662 114.554 0.333 0.000 2.948 539 T HA 0.381 4.731 4.350 0.000 0.000 0.285 539 T C -2.070 172.755 174.700 0.208 0.000 1.019 539 T CA -2.025 60.225 62.100 0.250 0.000 1.013 539 T CB 1.715 70.732 68.868 0.249 0.000 1.117 539 T HN 0.266 nan 8.240 nan 0.000 0.533 540 P HA -0.016 nan 4.420 nan 0.000 0.218 540 P C 1.345 178.696 177.300 0.085 0.000 1.146 540 P CA 1.188 64.341 63.100 0.088 0.000 0.813 540 P CB -0.284 31.450 31.700 0.057 0.000 0.778 541 A N -1.560 121.301 122.820 0.069 0.000 2.119 541 A HA -0.142 4.178 4.320 0.000 0.000 0.216 541 A C 1.594 179.162 177.584 -0.027 0.000 1.152 541 A CA 1.136 53.170 52.037 -0.005 0.000 0.708 541 A CB -1.379 17.581 19.000 -0.067 0.000 0.805 541 A HN 0.260 nan 8.150 nan 0.000 0.460 542 H N -1.738 117.411 119.070 0.130 0.000 2.551 542 H HA 0.256 4.812 4.556 0.000 0.000 0.266 542 H C -0.369 175.089 175.328 0.217 0.000 0.964 542 H CA 0.639 56.811 56.048 0.207 0.000 1.180 542 H CB 0.432 30.357 29.762 0.271 0.000 1.408 542 H HN 0.206 nan 8.280 nan 0.000 0.563 543 V N 2.220 122.273 119.914 0.231 0.000 2.378 543 V HA 0.005 4.125 4.120 0.000 0.000 0.288 543 V C 1.373 177.491 176.094 0.040 0.000 1.016 543 V CA -0.405 61.990 62.300 0.158 0.000 0.840 543 V CB 1.520 33.419 31.823 0.128 0.000 0.994 543 V HN 0.250 nan 8.190 nan 0.000 0.431 544 V N 2.327 122.223 119.914 -0.029 0.000 2.568 544 V HA -0.212 3.908 4.120 0.000 0.000 0.253 544 V C 1.738 177.794 176.094 -0.064 0.000 1.072 544 V CA 2.191 64.403 62.300 -0.146 0.000 1.084 544 V CB -1.105 30.542 31.823 -0.294 0.000 0.676 544 V HN 0.838 nan 8.190 nan 0.000 0.469 545 N N 2.209 120.867 118.700 -0.071 0.000 2.430 545 N HA -0.137 4.603 4.740 0.000 0.000 0.186 545 N C 1.788 177.252 175.510 -0.077 0.000 1.032 545 N CA 1.543 54.511 53.050 -0.138 0.000 0.893 545 N CB -0.439 37.955 38.487 -0.156 0.000 0.957 545 N HN 0.827 nan 8.380 nan 0.000 0.442 546 S N -0.237 115.453 115.700 -0.016 0.000 2.561 546 S HA 0.070 4.540 4.470 0.000 0.000 0.225 546 S C 0.534 175.164 174.600 0.050 0.000 0.977 546 S CA -0.105 58.106 58.200 0.017 0.000 0.926 546 S CB -0.291 62.926 63.200 0.029 0.000 0.769 546 S HN 0.142 nan 8.310 nan 0.000 0.533 547 L N 2.062 123.328 121.223 0.072 0.000 2.371 547 L HA 0.524 4.864 4.340 0.000 0.000 0.272 547 L C 1.311 178.305 176.870 0.207 0.000 1.124 547 L CA -0.544 54.370 54.840 0.125 0.000 0.816 547 L CB 0.379 42.526 42.059 0.147 0.000 1.129 547 L HN 0.288 nan 8.230 nan 0.000 0.448 548 G N 1.103 109.999 108.800 0.161 0.000 2.684 548 G HA2 0.077 4.037 3.960 0.000 0.000 0.255 548 G HA3 0.077 4.037 3.960 0.000 0.000 0.255 548 G C 0.768 175.688 174.900 0.032 0.000 1.219 548 G CA -0.324 44.874 45.100 0.163 0.000 0.901 548 G HN 0.826 nan 8.290 nan 0.000 0.548 549 R N 0.035 120.381 120.500 -0.257 0.000 2.097 549 R HA -0.148 4.192 4.340 0.000 0.000 0.236 549 R C 2.789 178.890 176.300 -0.333 0.000 1.135 549 R CA 2.023 57.608 56.100 -0.858 0.000 0.934 549 R CB -0.596 29.264 30.300 -0.734 0.000 0.846 549 R HN 0.523 nan 8.270 nan 0.000 0.431 550 A N 0.841 123.567 122.820 -0.158 0.000 1.933 550 A HA -0.172 4.148 4.320 0.000 0.000 0.218 550 A C 1.898 179.472 177.584 -0.016 0.000 1.175 550 A CA 1.655 53.649 52.037 -0.072 0.000 0.628 550 A CB -0.419 18.555 19.000 -0.045 0.000 0.814 550 A HN 0.566 nan 8.150 nan 0.000 0.444 551 E N -1.468 118.744 120.200 0.019 0.000 2.153 551 E HA -0.172 4.178 4.350 0.000 0.000 0.194 551 E C 1.681 178.359 176.600 0.129 0.000 0.988 551 E CA 1.253 57.696 56.400 0.072 0.000 0.811 551 E CB -0.246 29.506 29.700 0.087 0.000 0.746 551 E HN 0.731 nan 8.360 nan 0.000 0.466 552 F N 1.159 121.085 119.950 -0.039 0.000 2.163 552 F HA -0.071 4.456 4.527 0.000 0.000 0.297 552 F C 1.821 177.647 175.800 0.044 0.000 1.094 552 F CA 1.044 59.042 58.000 -0.003 0.000 1.290 552 F CB -0.053 38.911 39.000 -0.059 0.000 1.017 552 F HN -0.098 nan 8.300 nan 0.000 0.483 553 L N 0.390 121.571 121.223 -0.070 0.000 2.191 553 L HA -0.189 4.151 4.340 0.000 0.000 0.212 553 L C 2.045 178.843 176.870 -0.120 0.000 1.103 553 L CA 1.763 56.521 54.840 -0.137 0.000 0.769 553 L CB -0.766 41.260 42.059 -0.055 0.000 0.908 553 L HN 0.364 nan 8.230 nan 0.000 0.438 554 D N -1.161 119.204 120.400 -0.059 0.000 2.367 554 D HA -0.161 4.479 4.640 0.000 0.000 0.207 554 D C 2.028 178.303 176.300 -0.042 0.000 1.034 554 D CA -0.069 53.902 54.000 -0.049 0.000 0.861 554 D CB -0.089 40.696 40.800 -0.026 0.000 0.943 554 D HN 0.311 nan 8.370 nan 0.000 0.515 555 F N 2.339 122.196 119.950 -0.156 0.000 2.102 555 F HA -0.167 4.360 4.527 0.000 0.000 0.298 555 F C 2.141 177.835 175.800 -0.178 0.000 1.105 555 F CA 1.851 59.766 58.000 -0.142 0.000 1.239 555 F CB -0.242 38.683 39.000 -0.126 0.000 0.991 555 F HN -0.085 nan 8.300 nan 0.000 0.474 556 V N 0.522 120.340 119.914 -0.160 0.000 2.809 556 V HA 0.034 4.154 4.120 0.000 0.000 0.256 556 V C 2.097 178.068 176.094 -0.205 0.000 1.080 556 V CA 1.572 63.741 62.300 -0.219 0.000 1.102 556 V CB -0.994 30.724 31.823 -0.174 0.000 0.705 556 V HN 0.407 nan 8.190 nan 0.000 0.475 557 A N 0.336 123.052 122.820 -0.174 0.000 1.929 557 A HA -0.014 4.306 4.320 0.000 0.000 0.216 557 A C 2.387 179.879 177.584 -0.153 0.000 1.176 557 A CA 1.301 53.260 52.037 -0.130 0.000 0.628 557 A CB -0.610 18.335 19.000 -0.093 0.000 0.816 557 A HN 0.448 nan 8.150 nan 0.000 0.444 558 R N -0.016 120.362 120.500 -0.204 0.000 2.073 558 R HA -0.112 4.228 4.340 0.000 0.000 0.229 558 R C 2.304 178.442 176.300 -0.269 0.000 1.120 558 R CA 1.807 57.780 56.100 -0.213 0.000 0.967 558 R CB -0.803 29.366 30.300 -0.218 0.000 0.862 558 R HN 0.786 nan 8.270 nan 0.000 0.436 559 Q N 0.302 119.847 119.800 -0.424 0.000 2.096 559 Q HA -0.171 4.169 4.340 0.000 0.000 0.204 559 Q C 1.856 177.733 176.000 -0.204 0.000 0.982 559 Q CA 1.703 57.269 55.803 -0.394 0.000 0.850 559 Q CB 0.040 28.458 28.738 -0.534 0.000 0.901 559 Q HN 0.269 nan 8.270 nan 0.000 0.422 560 R N -0.636 119.766 120.500 -0.162 0.000 2.153 560 R HA 0.040 4.381 4.340 0.000 0.000 0.218 560 R C 2.202 178.451 176.300 -0.085 0.000 1.072 560 R CA 0.750 56.793 56.100 -0.095 0.000 0.990 560 R CB -0.082 30.177 30.300 -0.068 0.000 0.889 560 R HN 0.251 nan 8.270 nan 0.000 0.452 561 A N 1.146 123.907 122.820 -0.098 0.000 2.014 561 A HA 0.028 4.348 4.320 0.000 0.000 0.218 561 A C 2.182 179.721 177.584 -0.074 0.000 1.163 561 A CA 1.289 53.279 52.037 -0.079 0.000 0.652 561 A CB -0.265 18.688 19.000 -0.079 0.000 0.808 561 A HN 0.329 nan 8.150 nan 0.000 0.449 562 A N -0.027 122.739 122.820 -0.091 0.000 2.209 562 A HA 0.096 4.416 4.320 0.000 0.000 0.212 562 A C 1.353 178.901 177.584 -0.060 0.000 1.158 562 A CA 0.498 52.489 52.037 -0.077 0.000 0.742 562 A CB -0.259 18.685 19.000 -0.094 0.000 0.790 562 A HN 0.684 nan 8.150 nan 0.000 0.472 563 R N -2.272 118.193 120.500 -0.059 0.000 2.943 563 R HA 0.674 5.014 4.340 0.000 0.000 0.246 563 R C 0.573 176.845 176.300 -0.046 0.000 1.201 563 R CA -0.294 55.777 56.100 -0.049 0.000 1.056 563 R CB -0.083 30.189 30.300 -0.047 0.000 1.243 563 R HN 0.802 nan 8.270 nan 0.000 0.498 564 G N 0.000 108.773 108.800 -0.045 0.000 5.446 564 G HA2 0.000 3.960 3.960 0.000 0.000 0.244 564 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 564 G CA 0.000 45.073 45.100 -0.044 0.000 0.502 564 G HN 0.000 nan 8.290 nan 0.000 0.925