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 1h1c_1_C DATA FIRST_RESID 23 DATA SEQUENCE YLALNENPFP FPEDLVDEVF RRLNSDALRI YYDSPDEELI EKILSYLDTD DATA SEQUENCE FLSKNNVSVG NGADEIIYVX XLXFDRSVFF PPTYSCYRIF AKAVGAKFLE DATA SEQUENCE VPLTKDLRIP EVNVGEGDVV FIPNPNNPTG HVFEREEIER ILKTGAFVAL DATA SEQUENCE DEAYYEFHGE SYVDFLKKYE NLAVIRTFSK AFSLAAQRVG YVVASEKFID DATA SEQUENCE AYNRVRLPFN VSYVSQXFAK VALDHREIFE ERTKFIVEER ERXKSALREX DATA SEQUENCE GYRITDSRGN FVFVFXEKEE KERLLEHLRT KNVAVRSFRE GVRITIGKRE DATA SEQUENCE ENDXILRELE 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 23 Y HA 0.000 nan 4.550 nan 0.000 0.201 23 Y C 0.000 175.884 175.900 -0.027 0.000 1.272 23 Y CA 0.000 58.085 58.100 -0.026 0.000 1.940 23 Y CB 0.000 38.449 38.460 -0.019 0.000 1.050 24 L N 5.256 126.260 121.223 -0.365 0.000 3.267 24 L HA 0.455 4.796 4.340 0.001 0.000 0.289 24 L C 1.477 178.134 176.870 -0.355 0.000 1.260 24 L CA 0.487 55.176 54.840 -0.252 0.000 1.034 24 L CB 0.344 42.319 42.059 -0.140 0.000 1.413 24 L HN 0.725 nan 8.230 nan 0.000 0.594 25 A N 0.541 122.935 122.820 -0.710 0.000 1.821 25 A HA 0.013 4.334 4.320 0.001 0.000 0.215 25 A C 1.050 178.485 177.584 -0.249 0.000 1.216 25 A CA 0.878 52.612 52.037 -0.505 0.000 0.615 25 A CB -0.259 18.334 19.000 -0.679 0.000 0.862 25 A HN 0.141 nan 8.150 nan 0.000 0.450 26 L N 0.739 121.896 121.223 -0.109 0.000 2.439 26 L HA 0.086 4.427 4.340 0.001 0.000 0.269 26 L C 0.104 176.982 176.870 0.012 0.000 1.179 26 L CA 0.241 55.096 54.840 0.025 0.000 0.828 26 L CB -0.277 41.877 42.059 0.158 0.000 1.106 26 L HN 0.424 nan 8.230 nan 0.000 0.467 27 N N 0.955 119.650 118.700 -0.008 0.000 2.585 27 N HA -0.044 4.696 4.740 0.001 0.000 0.213 27 N C -0.193 175.370 175.510 0.089 0.000 1.385 27 N CA 0.186 53.240 53.050 0.008 0.000 0.871 27 N CB -0.371 38.161 38.487 0.075 0.000 1.154 27 N HN 0.484 nan 8.380 nan 0.000 0.474 28 E N 1.212 121.478 120.200 0.110 0.000 2.491 28 E HA -0.085 4.266 4.350 0.001 0.000 0.250 28 E C 0.101 176.780 176.600 0.131 0.000 1.061 28 E CA -0.186 56.297 56.400 0.139 0.000 0.942 28 E CB 0.152 29.949 29.700 0.163 0.000 0.957 28 E HN 0.316 nan 8.360 nan 0.000 0.480 29 N N 5.258 124.066 118.700 0.181 0.000 2.294 29 N HA -0.077 4.663 4.740 0.001 0.000 0.248 29 N C -1.288 174.288 175.510 0.109 0.000 1.242 29 N CA -0.829 52.347 53.050 0.209 0.000 0.848 29 N CB 0.835 39.521 38.487 0.332 0.000 1.084 29 N HN 0.282 nan 8.380 nan 0.000 0.457 30 P HA -0.053 nan 4.420 nan 0.000 0.219 30 P C -0.107 177.024 177.300 -0.281 0.000 1.150 30 P CA 1.074 64.026 63.100 -0.247 0.000 0.814 30 P CB 0.081 31.486 31.700 -0.492 0.000 0.787 31 F N 2.593 122.641 119.950 0.164 0.000 2.404 31 F HA 0.371 4.901 4.527 0.004 0.000 0.345 31 F C -1.403 174.483 175.800 0.145 0.000 1.110 31 F CA -2.859 55.213 58.000 0.119 0.000 1.130 31 F CB 0.123 39.171 39.000 0.081 0.000 1.129 31 F HN -0.128 nan 8.300 nan 0.000 0.500 32 P HA -0.075 nan 4.420 nan 0.000 0.271 32 P C -0.587 176.894 177.300 0.301 0.000 1.244 32 P CA -0.229 63.023 63.100 0.253 0.000 0.793 32 P CB 0.671 32.480 31.700 0.182 0.000 0.984 33 F N 2.717 122.776 119.950 0.183 0.000 2.538 33 F HA 0.169 4.699 4.527 0.004 0.000 0.371 33 F C -1.440 174.466 175.800 0.176 0.000 1.087 33 F CA -2.197 55.943 58.000 0.233 0.000 1.250 33 F CB -0.225 38.913 39.000 0.230 0.000 1.110 33 F HN 0.180 nan 8.300 nan 0.000 0.570 34 P HA -0.088 nan 4.420 nan 0.000 0.257 34 P C 0.240 177.437 177.300 -0.172 0.000 1.189 34 P CA 0.302 63.203 63.100 -0.332 0.000 0.780 34 P CB 0.892 32.286 31.700 -0.511 0.000 0.772 35 E N 3.593 123.770 120.200 -0.038 0.000 2.086 35 E HA -0.263 4.088 4.350 0.001 0.000 0.200 35 E C 1.209 177.815 176.600 0.009 0.000 1.012 35 E CA 1.957 58.376 56.400 0.032 0.000 0.812 35 E CB -0.414 29.292 29.700 0.010 0.000 0.743 35 E HN 0.385 nan 8.360 nan 0.000 0.453 36 D N -0.250 120.112 120.400 -0.063 0.000 2.123 36 D HA -0.168 4.472 4.640 0.001 0.000 0.196 36 D C 2.068 178.334 176.300 -0.056 0.000 0.992 36 D CA 1.170 55.126 54.000 -0.073 0.000 0.833 36 D CB -0.172 40.550 40.800 -0.130 0.000 0.954 36 D HN 0.291 nan 8.370 nan 0.000 0.455 37 L N 0.470 121.638 121.223 -0.092 0.000 2.093 37 L HA -0.134 4.207 4.340 0.001 0.000 0.208 37 L C 2.616 179.638 176.870 0.253 0.000 1.085 37 L CA 0.464 55.305 54.840 0.001 0.000 0.755 37 L CB -0.435 41.538 42.059 -0.144 0.000 0.904 37 L HN -0.060 nan 8.230 nan 0.000 0.435 38 V N -0.010 120.117 119.914 0.355 0.000 2.231 38 V HA -0.373 3.747 4.120 0.001 0.000 0.248 38 V C 2.386 178.639 176.094 0.265 0.000 1.054 38 V CA 2.255 64.836 62.300 0.469 0.000 1.015 38 V CB -0.534 31.528 31.823 0.399 0.000 0.638 38 V HN 0.538 nan 8.190 nan 0.000 0.444 39 D N -0.520 119.972 120.400 0.153 0.000 2.158 39 D HA -0.251 4.389 4.640 0.001 0.000 0.197 39 D C 2.229 178.586 176.300 0.095 0.000 0.995 39 D CA 1.814 55.872 54.000 0.097 0.000 0.846 39 D CB 0.054 40.875 40.800 0.035 0.000 0.941 39 D HN 0.654 nan 8.370 nan 0.000 0.456 40 E N -0.148 120.090 120.200 0.063 0.000 2.208 40 E HA -0.107 4.243 4.350 0.001 0.000 0.193 40 E C 2.236 178.835 176.600 -0.001 0.000 0.988 40 E CA 0.289 56.711 56.400 0.036 0.000 0.828 40 E CB 0.293 30.014 29.700 0.035 0.000 0.763 40 E HN 0.076 nan 8.360 nan 0.000 0.478 41 V N 0.482 120.374 119.914 -0.037 0.000 2.261 41 V HA -0.243 3.878 4.120 0.001 0.000 0.246 41 V C 1.911 177.850 176.094 -0.259 0.000 1.047 41 V CA 1.767 63.902 62.300 -0.275 0.000 1.015 41 V CB -0.557 30.873 31.823 -0.655 0.000 0.642 41 V HN 0.308 nan 8.190 nan 0.000 0.446 42 F N 0.130 119.978 119.950 -0.170 0.000 2.407 42 F HA -0.031 4.496 4.527 0.000 0.000 0.299 42 F C 2.474 178.233 175.800 -0.069 0.000 1.097 42 F CA 1.084 59.018 58.000 -0.109 0.000 1.422 42 F CB -0.434 38.528 39.000 -0.064 0.000 1.067 42 F HN -0.007 nan 8.300 nan 0.000 0.539 43 R N -0.349 120.207 120.500 0.093 0.000 2.090 43 R HA -0.045 4.295 4.340 0.001 0.000 0.228 43 R C 2.094 178.398 176.300 0.007 0.000 1.110 43 R CA 0.909 57.038 56.100 0.049 0.000 0.973 43 R CB -0.228 30.096 30.300 0.039 0.000 0.869 43 R HN 0.097 nan 8.270 nan 0.000 0.440 44 R N 0.496 120.977 120.500 -0.033 0.000 2.313 44 R HA 0.042 4.383 4.340 0.001 0.000 0.199 44 R C -0.346 175.906 176.300 -0.080 0.000 0.958 44 R CA -0.053 56.016 56.100 -0.052 0.000 1.047 44 R CB 0.147 30.404 30.300 -0.072 0.000 0.955 44 R HN -0.050 nan 8.270 nan 0.000 0.481 45 L N 1.789 122.944 121.223 -0.114 0.000 2.315 45 L HA 0.198 4.539 4.340 0.001 0.000 0.283 45 L C -0.776 176.098 176.870 0.006 0.000 1.089 45 L CA -0.060 54.712 54.840 -0.113 0.000 0.833 45 L CB 0.867 42.752 42.059 -0.292 0.000 1.170 45 L HN -0.014 nan 8.230 nan 0.000 0.442 46 N N 2.960 121.716 118.700 0.095 0.000 2.420 46 N HA 0.004 4.744 4.740 0.001 0.000 0.249 46 N C 0.781 176.256 175.510 -0.058 0.000 1.033 46 N CA 0.336 53.388 53.050 0.003 0.000 0.944 46 N CB 1.388 39.855 38.487 -0.033 0.000 1.113 46 N HN 0.842 nan 8.380 nan 0.000 0.502 47 S N 2.567 118.240 115.700 -0.044 0.000 2.370 47 S HA -0.161 4.309 4.470 0.001 0.000 0.226 47 S C 1.183 175.722 174.600 -0.101 0.000 1.033 47 S CA 1.152 59.319 58.200 -0.056 0.000 1.011 47 S CB -0.107 63.077 63.200 -0.027 0.000 0.852 47 S HN 0.654 nan 8.310 nan 0.000 0.457 48 D N 0.091 120.428 120.400 -0.105 0.000 2.371 48 D HA 0.102 4.743 4.640 0.001 0.000 0.221 48 D C 1.597 177.785 176.300 -0.188 0.000 0.986 48 D CA 0.737 54.666 54.000 -0.118 0.000 0.899 48 D CB 0.032 40.782 40.800 -0.083 0.000 0.902 48 D HN 0.514 nan 8.370 nan 0.000 0.530 49 A N -0.041 122.598 122.820 -0.301 0.000 2.030 49 A HA 0.063 4.383 4.320 0.001 0.000 0.215 49 A C 2.280 179.550 177.584 -0.524 0.000 1.164 49 A CA -0.015 51.707 52.037 -0.524 0.000 0.697 49 A CB -0.287 18.086 19.000 -1.046 0.000 0.827 49 A HN 0.231 nan 8.150 nan 0.000 0.457 50 L N -0.013 120.991 121.223 -0.366 0.000 2.187 50 L HA -0.202 4.139 4.340 0.001 0.000 0.213 50 L C 2.550 179.278 176.870 -0.237 0.000 1.100 50 L CA 1.613 56.302 54.840 -0.252 0.000 0.765 50 L CB -0.363 41.611 42.059 -0.142 0.000 0.904 50 L HN 0.548 nan 8.230 nan 0.000 0.437 51 R N -0.989 119.380 120.500 -0.219 0.000 2.297 51 R HA 0.149 4.489 4.340 0.001 0.000 0.197 51 R C 0.388 176.539 176.300 -0.248 0.000 0.943 51 R CA -0.038 55.940 56.100 -0.204 0.000 1.038 51 R CB 0.050 30.267 30.300 -0.138 0.000 0.957 51 R HN 0.070 nan 8.270 nan 0.000 0.484 52 I N 1.577 121.991 120.570 -0.260 0.000 2.428 52 I HA 0.149 4.319 4.170 0.001 0.000 0.296 52 I C -0.194 175.735 176.117 -0.314 0.000 0.985 52 I CA -2.086 59.081 61.300 -0.222 0.000 1.260 52 I CB 0.866 38.789 38.000 -0.128 0.000 1.389 52 I HN 0.008 nan 8.210 nan 0.000 0.484 53 Y N 5.678 125.812 120.300 -0.277 0.000 2.644 53 Y HA -0.011 4.539 4.550 0.001 0.000 0.354 53 Y C 0.080 175.757 175.900 -0.371 0.000 1.166 53 Y CA 0.227 57.979 58.100 -0.580 0.000 1.591 53 Y CB -0.587 37.351 38.460 -0.869 0.000 1.346 53 Y HN 0.294 nan 8.280 nan 0.000 0.497 54 Y N 4.022 124.184 120.300 -0.231 0.000 2.584 54 Y HA 0.081 4.631 4.550 0.001 0.000 0.351 54 Y C 0.267 176.307 175.900 0.233 0.000 1.030 54 Y CA -1.713 56.381 58.100 -0.010 0.000 1.332 54 Y CB -0.286 38.175 38.460 0.002 0.000 1.148 54 Y HN 0.595 nan 8.280 nan 0.000 0.528 55 D N 2.088 122.589 120.400 0.168 0.000 2.525 55 D HA -0.044 4.597 4.640 0.001 0.000 0.235 55 D C 0.998 177.383 176.300 0.142 0.000 1.137 55 D CA 0.329 54.509 54.000 0.299 0.000 0.868 55 D CB 0.953 41.804 40.800 0.086 0.000 1.180 55 D HN 0.434 nan 8.370 nan 0.000 0.465 56 S N 1.855 117.666 115.700 0.184 0.000 2.344 56 S HA -0.044 4.427 4.470 0.001 0.000 0.217 56 S C -1.497 173.144 174.600 0.067 0.000 1.033 56 S CA 0.676 58.959 58.200 0.139 0.000 1.017 56 S CB -0.734 62.529 63.200 0.106 0.000 0.941 56 S HN 0.575 nan 8.310 nan 0.000 0.430 57 P HA 0.132 nan 4.420 nan 0.000 0.252 57 P C -1.098 176.196 177.300 -0.009 0.000 1.694 57 P CA 0.015 63.132 63.100 0.028 0.000 1.163 57 P CB -0.639 31.081 31.700 0.035 0.000 1.934 58 D N 1.381 121.772 120.400 -0.016 0.000 2.363 58 D HA -0.062 4.579 4.640 0.001 0.000 0.263 58 D C 1.291 177.574 176.300 -0.028 0.000 1.258 58 D CA -0.003 53.957 54.000 -0.067 0.000 0.907 58 D CB 0.511 41.302 40.800 -0.015 0.000 1.107 58 D HN 0.249 nan 8.370 nan 0.000 0.495 59 E N 2.845 123.022 120.200 -0.038 0.000 2.330 59 E HA -0.434 3.916 4.350 0.001 0.000 0.239 59 E C 1.117 177.715 176.600 -0.004 0.000 1.097 59 E CA 2.035 58.425 56.400 -0.016 0.000 1.031 59 E CB 0.101 29.790 29.700 -0.017 0.000 0.885 59 E HN 0.686 nan 8.360 nan 0.000 0.479 60 E N 0.425 120.628 120.200 0.005 0.000 2.007 60 E HA -0.232 4.119 4.350 0.001 0.000 0.203 60 E C 2.170 178.764 176.600 -0.011 0.000 1.020 60 E CA 1.128 57.533 56.400 0.007 0.000 0.845 60 E CB -0.727 28.990 29.700 0.027 0.000 0.779 60 E HN 0.378 nan 8.360 nan 0.000 0.466 61 L N 1.146 122.358 121.223 -0.017 0.000 2.151 61 L HA -0.272 4.069 4.340 0.001 0.000 0.219 61 L C 2.279 179.116 176.870 -0.055 0.000 1.083 61 L CA 1.605 56.409 54.840 -0.060 0.000 0.782 61 L CB -0.565 41.458 42.059 -0.059 0.000 0.891 61 L HN 0.119 nan 8.230 nan 0.000 0.439 62 I N 0.359 120.918 120.570 -0.019 0.000 2.110 62 I HA -0.256 3.915 4.170 0.001 0.000 0.236 62 I C 2.510 178.626 176.117 -0.001 0.000 1.068 62 I CA 1.319 62.619 61.300 0.001 0.000 1.333 62 I CB -0.621 37.390 38.000 0.018 0.000 1.054 62 I HN 0.240 nan 8.210 nan 0.000 0.402 63 E N 0.337 120.538 120.200 0.000 0.000 2.113 63 E HA -0.350 4.001 4.350 0.001 0.000 0.210 63 E C 2.138 178.741 176.600 0.006 0.000 1.040 63 E CA 1.780 58.183 56.400 0.005 0.000 0.847 63 E CB -0.238 29.465 29.700 0.004 0.000 0.755 63 E HN 0.284 nan 8.360 nan 0.000 0.459 64 K N 0.689 121.082 120.400 -0.011 0.000 2.001 64 K HA -0.175 4.146 4.320 0.001 0.000 0.214 64 K C 2.239 178.840 176.600 0.001 0.000 1.050 64 K CA 1.654 57.933 56.287 -0.014 0.000 0.934 64 K CB -0.672 31.798 32.500 -0.051 0.000 0.718 64 K HN 0.384 nan 8.250 nan 0.000 0.443 65 I N -1.387 119.157 120.570 -0.044 0.000 2.286 65 I HA -0.183 3.987 4.170 0.001 0.000 0.248 65 I C 1.958 178.132 176.117 0.096 0.000 1.115 65 I CA 1.183 62.465 61.300 -0.028 0.000 1.392 65 I CB -0.293 37.581 38.000 -0.210 0.000 1.065 65 I HN -0.016 nan 8.210 nan 0.000 0.418 66 L N 1.957 123.212 121.223 0.053 0.000 2.081 66 L HA -0.219 4.121 4.340 0.001 0.000 0.212 66 L C 2.686 179.579 176.870 0.039 0.000 1.080 66 L CA 2.415 57.279 54.840 0.039 0.000 0.754 66 L CB -0.717 41.352 42.059 0.017 0.000 0.893 66 L HN 0.658 nan 8.230 nan 0.000 0.433 67 S N -2.811 112.925 115.700 0.060 0.000 2.524 67 S HA -0.126 4.345 4.470 0.001 0.000 0.216 67 S C 1.962 176.632 174.600 0.117 0.000 0.987 67 S CA 0.191 58.430 58.200 0.066 0.000 0.909 67 S CB -0.842 62.392 63.200 0.057 0.000 0.781 67 S HN 0.515 nan 8.310 nan 0.000 0.521 68 Y N 1.951 122.252 120.300 0.002 0.000 2.373 68 Y HA 0.207 4.757 4.550 -0.001 0.000 0.293 68 Y C 1.488 177.397 175.900 0.014 0.000 1.129 68 Y CA 0.605 58.715 58.100 0.017 0.000 1.226 68 Y CB -0.276 38.176 38.460 -0.013 0.000 1.000 68 Y HN 0.224 nan 8.280 nan 0.000 0.549 69 L N 0.304 121.519 121.223 -0.014 0.000 2.240 69 L HA -0.036 4.304 4.340 0.001 0.000 0.211 69 L C 0.347 177.169 176.870 -0.081 0.000 1.106 69 L CA 1.093 55.856 54.840 -0.128 0.000 0.793 69 L CB -0.940 41.081 42.059 -0.063 0.000 0.927 69 L HN 0.052 nan 8.230 nan 0.000 0.446 70 D N 0.495 120.880 120.400 -0.025 0.000 2.812 70 D HA -0.154 4.487 4.640 0.001 0.000 0.237 70 D C 0.589 176.907 176.300 0.030 0.000 1.162 70 D CA 1.053 55.058 54.000 0.008 0.000 0.740 70 D CB -0.451 40.356 40.800 0.012 0.000 1.000 70 D HN 0.530 nan 8.370 nan 0.000 0.416 71 T N -3.298 111.265 114.554 0.014 0.000 2.633 71 T HA 0.651 5.002 4.350 0.001 0.000 0.262 71 T C 0.579 175.322 174.700 0.072 0.000 0.920 71 T CA 0.098 62.252 62.100 0.089 0.000 1.062 71 T CB 2.262 71.137 68.868 0.011 0.000 1.390 71 T HN -0.089 nan 8.240 nan 0.000 0.549 72 D N -1.831 118.678 120.400 0.183 0.000 2.218 72 D HA 0.201 4.842 4.640 0.001 0.000 0.307 72 D C 1.490 177.884 176.300 0.157 0.000 1.086 72 D CA -0.007 54.081 54.000 0.146 0.000 0.886 72 D CB 0.087 40.989 40.800 0.171 0.000 1.645 72 D HN 0.424 nan 8.370 nan 0.000 0.523 73 F N 1.990 121.961 119.950 0.035 0.000 2.075 73 F HA 0.119 4.646 4.527 0.000 0.000 0.297 73 F C 0.736 176.563 175.800 0.046 0.000 1.113 73 F CA 0.011 58.035 58.000 0.040 0.000 1.218 73 F CB -1.849 37.178 39.000 0.044 0.000 0.984 73 F HN -0.118 nan 8.300 nan 0.000 0.472 74 L N 0.650 121.525 121.223 -0.581 0.000 2.453 74 L HA 0.642 4.983 4.340 0.001 0.000 0.261 74 L C 0.325 177.096 176.870 -0.166 0.000 1.179 74 L CA -0.648 53.995 54.840 -0.329 0.000 0.813 74 L CB 0.219 41.999 42.059 -0.465 0.000 1.110 74 L HN 0.393 nan 8.230 nan 0.000 0.466 75 S N -0.679 114.979 115.700 -0.070 0.000 3.144 75 S HA 0.530 5.001 4.470 0.001 0.000 0.325 75 S C 0.691 175.290 174.600 -0.003 0.000 1.161 75 S CA -0.716 57.467 58.200 -0.029 0.000 0.920 75 S CB 0.714 63.912 63.200 -0.003 0.000 1.340 75 S HN 0.581 nan 8.310 nan 0.000 0.681 76 K N 1.682 122.087 120.400 0.009 0.000 2.015 76 K HA -0.215 4.106 4.320 0.001 0.000 0.220 76 K C 1.349 177.968 176.600 0.032 0.000 1.055 76 K CA 2.366 58.665 56.287 0.019 0.000 0.951 76 K CB -0.932 31.577 32.500 0.016 0.000 0.725 76 K HN 0.786 nan 8.250 nan 0.000 0.449 77 N N 0.645 119.366 118.700 0.034 0.000 2.567 77 N HA -0.068 4.672 4.740 0.001 0.000 0.195 77 N C 0.285 175.837 175.510 0.069 0.000 1.242 77 N CA 0.694 53.773 53.050 0.048 0.000 0.884 77 N CB -0.089 38.423 38.487 0.042 0.000 1.007 77 N HN 0.239 nan 8.380 nan 0.000 0.450 78 N N -0.734 118.002 118.700 0.060 0.000 2.254 78 N HA 0.077 4.817 4.740 0.001 0.000 0.190 78 N C -0.206 175.360 175.510 0.094 0.000 1.107 78 N CA 0.035 53.129 53.050 0.072 0.000 0.869 78 N CB 0.869 39.366 38.487 0.016 0.000 0.983 78 N HN 0.289 nan 8.380 nan 0.000 0.487 79 V N -3.754 116.217 119.914 0.095 0.000 3.102 79 V HA 0.882 5.003 4.120 0.001 0.000 0.312 79 V C -0.341 175.840 176.094 0.144 0.000 1.135 79 V CA -0.789 61.586 62.300 0.125 0.000 1.022 79 V CB 1.882 33.785 31.823 0.134 0.000 1.056 79 V HN -0.137 nan 8.190 nan 0.000 0.436 80 S N 0.308 116.113 115.700 0.175 0.000 2.587 80 S HA 0.719 5.190 4.470 0.001 0.000 0.269 80 S C -1.534 173.211 174.600 0.242 0.000 1.154 80 S CA 0.166 58.494 58.200 0.213 0.000 0.824 80 S CB 1.757 65.140 63.200 0.305 0.000 1.118 80 S HN 2.149 nan 8.310 nan 0.000 0.462 81 V N 1.438 121.512 119.914 0.267 0.000 2.994 81 V HA 1.024 5.144 4.120 0.001 0.000 0.318 81 V C 0.235 176.520 176.094 0.318 0.000 1.085 81 V CA 0.390 62.845 62.300 0.258 0.000 0.998 81 V CB 1.560 33.481 31.823 0.163 0.000 1.063 81 V HN 1.284 nan 8.190 nan 0.000 0.447 82 G N 1.407 110.366 108.800 0.264 0.000 2.659 82 G HA2 0.275 4.236 3.960 0.001 0.000 0.296 82 G HA3 0.275 4.236 3.960 0.001 0.000 0.296 82 G C -0.616 174.376 174.900 0.153 0.000 1.369 82 G CA -0.782 44.478 45.100 0.267 0.000 0.937 82 G HN 0.916 nan 8.290 nan 0.000 0.485 83 N N 0.849 119.608 118.700 0.099 0.000 2.874 83 N HA 0.347 5.087 4.740 0.001 0.000 0.316 83 N C 0.772 176.308 175.510 0.044 0.000 1.205 83 N CA 0.668 53.745 53.050 0.044 0.000 1.180 83 N CB -0.454 38.034 38.487 0.000 0.000 1.450 83 N HN 1.230 nan 8.380 nan 0.000 0.528 84 G N 0.073 108.919 108.800 0.076 0.000 2.712 84 G HA2 -0.175 3.785 3.960 0.001 0.000 0.686 84 G HA3 -0.175 3.785 3.960 0.001 0.000 0.686 84 G C 0.641 175.606 174.900 0.108 0.000 1.321 84 G CA -0.425 44.727 45.100 0.085 0.000 0.813 84 G HN 0.512 nan 8.290 nan 0.000 0.599 85 A N 0.316 123.195 122.820 0.098 0.000 1.927 85 A HA -0.112 4.208 4.320 0.001 0.000 0.220 85 A C 2.153 179.816 177.584 0.132 0.000 1.185 85 A CA 2.675 54.761 52.037 0.080 0.000 0.639 85 A CB -0.525 18.469 19.000 -0.010 0.000 0.820 85 A HN 0.862 nan 8.150 nan 0.000 0.451 86 D N -0.623 119.875 120.400 0.163 0.000 2.103 86 D HA -0.209 4.432 4.640 0.001 0.000 0.190 86 D C 1.838 178.270 176.300 0.219 0.000 0.997 86 D CA 1.614 55.806 54.000 0.319 0.000 0.833 86 D CB -0.573 40.454 40.800 0.379 0.000 0.961 86 D HN 0.701 nan 8.370 nan 0.000 0.447 87 E N -0.059 120.185 120.200 0.073 0.000 2.130 87 E HA -0.205 4.146 4.350 0.001 0.000 0.196 87 E C 2.210 178.957 176.600 0.244 0.000 0.998 87 E CA 0.704 57.127 56.400 0.038 0.000 0.806 87 E CB -0.042 29.666 29.700 0.014 0.000 0.738 87 E HN 0.183 nan 8.360 nan 0.000 0.459 88 I N 0.345 121.080 120.570 0.274 0.000 2.142 88 I HA -0.282 3.888 4.170 0.001 0.000 0.240 88 I C 2.101 178.453 176.117 0.391 0.000 1.078 88 I CA 0.808 62.308 61.300 0.332 0.000 1.343 88 I CB -0.351 37.749 38.000 0.168 0.000 1.046 88 I HN 0.130 nan 8.210 nan 0.000 0.405 89 I N -0.352 120.434 120.570 0.360 0.000 2.052 89 I HA -0.377 3.794 4.170 0.001 0.000 0.235 89 I C 2.410 178.802 176.117 0.459 0.000 1.046 89 I CA 1.795 63.326 61.300 0.384 0.000 1.308 89 I CB -1.050 37.096 38.000 0.244 0.000 1.031 89 I HN 0.190 nan 8.210 nan 0.000 0.395 90 Y N 0.807 121.240 120.300 0.221 0.000 2.181 90 Y HA -0.276 4.275 4.550 0.001 0.000 0.279 90 Y C 1.370 177.335 175.900 0.107 0.000 1.228 90 Y CA 1.300 59.420 58.100 0.033 0.000 1.164 90 Y CB -0.332 37.953 38.460 -0.291 0.000 0.959 90 Y HN -0.057 nan 8.280 nan 0.000 0.521 97 D N 0.666 121.217 120.400 0.251 0.000 2.075 97 D HA -0.060 4.580 4.640 0.001 0.000 0.196 97 D C 0.556 176.945 176.300 0.149 0.000 0.985 97 D CA 1.582 55.672 54.000 0.149 0.000 0.834 97 D CB 0.115 40.983 40.800 0.113 0.000 0.987 97 D HN 0.555 nan 8.370 nan 0.000 0.452 98 R N -0.970 119.618 120.500 0.147 0.000 2.771 98 R HA 0.654 4.994 4.340 0.001 0.000 0.274 98 R C -1.220 175.161 176.300 0.136 0.000 0.987 98 R CA -0.737 55.447 56.100 0.141 0.000 0.908 98 R CB 1.681 32.027 30.300 0.077 0.000 1.213 98 R HN -0.284 nan 8.270 nan 0.000 0.468 99 S N 0.941 116.768 115.700 0.212 0.000 2.501 99 S HA 0.612 5.082 4.470 0.001 0.000 0.301 99 S C -0.689 174.010 174.600 0.164 0.000 1.096 99 S CA -0.720 57.613 58.200 0.221 0.000 1.063 99 S CB 1.826 65.296 63.200 0.451 0.000 1.042 99 S HN 0.559 nan 8.310 nan 0.000 0.494 100 V N 1.171 121.096 119.914 0.018 0.000 2.709 100 V HA 0.900 5.021 4.120 0.001 0.000 0.308 100 V C -0.983 174.944 176.094 -0.279 0.000 1.062 100 V CA -0.983 61.153 62.300 -0.273 0.000 0.901 100 V CB 0.713 32.342 31.823 -0.323 0.000 1.003 100 V HN 0.829 nan 8.190 nan 0.000 0.425 101 F N 1.508 121.217 119.950 -0.401 0.000 2.876 101 F HA 0.918 5.445 4.527 0.001 0.000 0.358 101 F C -1.025 174.305 175.800 -0.783 0.000 1.209 101 F CA -1.530 56.166 58.000 -0.507 0.000 1.051 101 F CB 1.323 40.255 39.000 -0.113 0.000 1.474 101 F HN 0.343 nan 8.300 nan 0.000 0.521 102 F N 1.324 121.489 119.950 0.359 0.000 2.810 102 F HA 0.401 4.928 4.527 0.001 0.000 0.373 102 F C -2.720 173.254 175.800 0.290 0.000 1.174 102 F CA -2.363 55.785 58.000 0.247 0.000 1.141 102 F CB 0.788 39.916 39.000 0.212 0.000 1.420 102 F HN 0.028 nan 8.300 nan 0.000 0.518 103 P HA 0.037 nan 4.420 nan 0.000 0.266 103 P C -2.579 174.884 177.300 0.271 0.000 1.195 103 P CA -0.953 62.342 63.100 0.325 0.000 0.768 103 P CB 0.501 32.356 31.700 0.259 0.000 0.838 104 P HA 0.139 nan 4.420 nan 0.000 0.286 104 P C -0.238 177.205 177.300 0.238 0.000 1.321 104 P CA 0.247 63.465 63.100 0.197 0.000 0.790 104 P CB 0.688 32.459 31.700 0.119 0.000 0.897 105 T N 2.697 117.425 114.554 0.290 0.000 2.676 105 T HA 0.273 4.624 4.350 0.001 0.000 0.269 105 T C -0.919 173.922 174.700 0.234 0.000 0.952 105 T CA -0.636 61.673 62.100 0.348 0.000 1.040 105 T CB 0.298 69.474 68.868 0.513 0.000 1.352 105 T HN 0.145 nan 8.240 nan 0.000 0.554 106 Y N 1.991 122.317 120.300 0.043 0.000 2.802 106 Y HA 0.174 4.725 4.550 0.002 0.000 0.333 106 Y C 1.784 177.390 175.900 -0.491 0.000 1.244 106 Y CA 0.843 58.724 58.100 -0.364 0.000 1.558 106 Y CB 0.186 38.130 38.460 -0.860 0.000 1.233 106 Y HN 0.666 nan 8.280 nan 0.000 0.547 107 S N 3.650 118.912 115.700 -0.730 0.000 2.368 107 S HA -0.265 4.206 4.470 0.001 0.000 0.226 107 S C 2.046 176.129 174.600 -0.862 0.000 1.044 107 S CA 2.082 59.899 58.200 -0.637 0.000 1.062 107 S CB -0.612 62.289 63.200 -0.498 0.000 0.931 107 S HN 0.933 nan 8.310 nan 0.000 0.440 108 C N 0.960 119.410 119.300 -1.417 0.000 2.400 108 C HA -0.056 4.405 4.460 0.001 0.000 0.291 108 C C 2.162 176.450 174.990 -1.169 0.000 1.372 108 C CA 0.237 58.417 59.018 -1.396 0.000 1.800 108 C CB -2.116 24.561 27.740 -1.773 0.000 1.869 108 C HN 0.668 nan 8.230 nan 0.000 0.533 109 Y N 1.006 120.752 120.300 -0.923 0.000 2.224 109 Y HA -0.160 4.391 4.550 0.001 0.000 0.289 109 Y C 2.635 178.029 175.900 -0.844 0.000 1.146 109 Y CA 1.445 58.921 58.100 -1.040 0.000 1.182 109 Y CB -0.783 36.665 38.460 -1.686 0.000 0.983 109 Y HN 0.346 nan 8.280 nan 0.000 0.524 110 R N 0.361 120.594 120.500 -0.445 0.000 2.055 110 R HA -0.097 4.243 4.340 0.001 0.000 0.228 110 R C 2.188 178.337 176.300 -0.251 0.000 1.143 110 R CA 1.615 57.594 56.100 -0.202 0.000 0.945 110 R CB -0.476 29.821 30.300 -0.005 0.000 0.841 110 R HN 0.262 nan 8.270 nan 0.000 0.429 111 I N 0.268 120.710 120.570 -0.213 0.000 2.151 111 I HA -0.338 3.833 4.170 0.001 0.000 0.243 111 I C 2.176 178.372 176.117 0.132 0.000 1.080 111 I CA 1.669 62.934 61.300 -0.057 0.000 1.339 111 I CB -0.486 37.478 38.000 -0.061 0.000 1.039 111 I HN 0.234 nan 8.210 nan 0.000 0.409 112 F N 0.937 120.821 119.950 -0.110 0.000 2.051 112 F HA -0.273 4.254 4.527 0.001 0.000 0.296 112 F C 2.833 178.555 175.800 -0.131 0.000 1.122 112 F CA 0.646 58.615 58.000 -0.052 0.000 1.201 112 F CB -0.500 38.507 39.000 0.011 0.000 0.978 112 F HN 0.078 nan 8.300 nan 0.000 0.472 113 A N 0.021 122.862 122.820 0.035 0.000 1.948 113 A HA -0.272 4.049 4.320 0.001 0.000 0.220 113 A C 2.168 179.701 177.584 -0.086 0.000 1.177 113 A CA 2.049 54.032 52.037 -0.089 0.000 0.636 113 A CB -0.762 18.020 19.000 -0.364 0.000 0.815 113 A HN 0.334 nan 8.150 nan 0.000 0.449 114 K N -0.606 119.725 120.400 -0.116 0.000 2.007 114 K HA -0.020 4.300 4.320 0.001 0.000 0.206 114 K C 2.320 178.958 176.600 0.063 0.000 1.047 114 K CA 1.059 57.376 56.287 0.050 0.000 0.937 114 K CB -0.389 32.149 32.500 0.063 0.000 0.718 114 K HN 0.347 nan 8.250 nan 0.000 0.438 115 A N 1.285 124.135 122.820 0.049 0.000 1.852 115 A HA -0.195 4.125 4.320 0.001 0.000 0.217 115 A C 2.142 179.713 177.584 -0.022 0.000 1.215 115 A CA 2.591 54.650 52.037 0.037 0.000 0.641 115 A CB -1.321 17.726 19.000 0.079 0.000 0.838 115 A HN 0.350 nan 8.150 nan 0.000 0.450 116 V N -2.399 117.440 119.914 -0.124 0.000 3.383 116 V HA 0.368 4.489 4.120 0.001 0.000 0.272 116 V C 1.261 177.319 176.094 -0.060 0.000 1.181 116 V CA 0.743 62.937 62.300 -0.177 0.000 1.171 116 V CB -1.650 29.942 31.823 -0.385 0.000 0.800 116 V HN 2.019 nan 8.190 nan 0.000 0.515 117 G N -0.242 108.562 108.800 0.005 0.000 2.353 117 G HA2 0.119 4.080 3.960 0.001 0.000 0.294 117 G HA3 0.119 4.080 3.960 0.001 0.000 0.294 117 G C 0.020 174.970 174.900 0.084 0.000 1.077 117 G CA 0.285 45.419 45.100 0.057 0.000 1.098 117 G HN 1.788 nan 8.290 nan 0.000 0.511 118 A N 0.406 123.309 122.820 0.138 0.000 2.337 118 A HA 0.849 5.170 4.320 0.001 0.000 0.331 118 A C 0.455 178.222 177.584 0.305 0.000 1.137 118 A CA -0.699 51.447 52.037 0.182 0.000 0.807 118 A CB 1.074 20.180 19.000 0.176 0.000 1.250 118 A HN 0.460 nan 8.150 nan 0.000 0.468 119 K N 0.274 120.811 120.400 0.227 0.000 2.295 119 K HA 0.512 4.833 4.320 0.001 0.000 0.270 119 K C -1.071 175.715 176.600 0.309 0.000 1.011 119 K CA 0.419 56.816 56.287 0.184 0.000 0.953 119 K CB 0.460 33.007 32.500 0.079 0.000 0.956 119 K HN 0.660 nan 8.250 nan 0.000 0.477 120 F N 0.062 120.026 119.950 0.024 0.000 2.669 120 F HA 0.471 4.999 4.527 0.001 0.000 0.315 120 F C -2.124 173.601 175.800 -0.125 0.000 1.109 120 F CA -1.235 56.751 58.000 -0.022 0.000 1.028 120 F CB 0.902 39.954 39.000 0.086 0.000 1.287 120 F HN 0.345 nan 8.300 nan 0.000 0.452 121 L N 3.518 124.591 121.223 -0.250 0.000 2.410 121 L HA 0.623 4.964 4.340 0.001 0.000 0.270 121 L C -1.443 175.203 176.870 -0.374 0.000 0.983 121 L CA -0.485 54.153 54.840 -0.337 0.000 0.822 121 L CB 2.195 44.111 42.059 -0.239 0.000 1.285 121 L HN 0.905 nan 8.230 nan 0.000 0.409 122 E N 4.333 124.331 120.200 -0.337 0.000 2.176 122 E HA 0.552 4.902 4.350 0.001 0.000 0.267 122 E C -1.583 174.925 176.600 -0.154 0.000 0.893 122 E CA -0.893 55.290 56.400 -0.363 0.000 0.761 122 E CB 2.365 31.866 29.700 -0.333 0.000 1.133 122 E HN 0.273 nan 8.360 nan 0.000 0.409 123 V N 4.554 124.396 119.914 -0.119 0.000 2.384 123 V HA 0.365 4.486 4.120 0.001 0.000 0.287 123 V C -1.926 174.281 176.094 0.188 0.000 1.020 123 V CA -2.097 60.227 62.300 0.040 0.000 0.850 123 V CB 1.368 33.235 31.823 0.073 0.000 0.987 123 V HN 0.757 nan 8.190 nan 0.000 0.436 124 P HA 0.098 nan 4.420 nan 0.000 0.268 124 P C -0.327 177.112 177.300 0.230 0.000 1.208 124 P CA -0.110 63.114 63.100 0.206 0.000 0.777 124 P CB 1.097 32.878 31.700 0.135 0.000 0.875 125 L N 1.486 122.841 121.223 0.219 0.000 2.417 125 L HA 0.138 4.479 4.340 0.001 0.000 0.268 125 L C 1.761 178.671 176.870 0.067 0.000 1.158 125 L CA -0.230 54.694 54.840 0.140 0.000 0.819 125 L CB 0.450 42.585 42.059 0.125 0.000 1.112 125 L HN 0.527 nan 8.230 nan 0.000 0.458 126 T N -0.370 114.199 114.554 0.025 0.000 2.734 126 T HA 0.014 4.364 4.350 0.001 0.000 0.314 126 T C 1.098 175.782 174.700 -0.026 0.000 1.057 126 T CA -0.423 61.678 62.100 0.002 0.000 1.047 126 T CB 0.680 69.540 68.868 -0.013 0.000 0.991 126 T HN 0.517 nan 8.240 nan 0.000 0.540 127 K N 0.967 121.350 120.400 -0.029 0.000 2.044 127 K HA -0.103 4.218 4.320 0.001 0.000 0.210 127 K C 1.507 178.059 176.600 -0.080 0.000 1.049 127 K CA 1.889 58.147 56.287 -0.047 0.000 0.927 127 K CB -0.602 31.870 32.500 -0.046 0.000 0.713 127 K HN 0.901 nan 8.250 nan 0.000 0.443 128 D N 1.016 121.364 120.400 -0.087 0.000 2.504 128 D HA 0.019 4.659 4.640 0.001 0.000 0.243 128 D C -0.694 175.493 176.300 -0.188 0.000 1.203 128 D CA -0.308 53.620 54.000 -0.119 0.000 0.847 128 D CB -0.491 40.255 40.800 -0.090 0.000 0.973 128 D HN -0.029 nan 8.370 nan 0.000 0.490 129 L N -0.245 120.855 121.223 -0.204 0.000 3.965 129 L HA -0.278 4.062 4.340 0.001 0.000 0.499 129 L C -0.138 176.537 176.870 -0.326 0.000 1.194 129 L CA 0.995 55.644 54.840 -0.319 0.000 0.707 129 L CB -1.569 40.091 42.059 -0.665 0.000 1.414 129 L HN 0.290 nan 8.230 nan 0.000 0.802 130 R N 0.683 121.101 120.500 -0.135 0.000 2.803 130 R HA 0.520 4.861 4.340 0.001 0.000 0.276 130 R C 0.179 176.482 176.300 0.005 0.000 0.978 130 R CA -1.210 54.856 56.100 -0.056 0.000 0.939 130 R CB 1.621 31.895 30.300 -0.043 0.000 1.179 130 R HN 0.033 nan 8.270 nan 0.000 0.472 131 I N 5.676 126.275 120.570 0.047 0.000 2.907 131 I HA -0.049 4.122 4.170 0.001 0.000 0.285 131 I C -1.372 174.660 176.117 -0.142 0.000 1.189 131 I CA -1.068 60.087 61.300 -0.241 0.000 1.376 131 I CB -0.671 37.169 38.000 -0.267 0.000 1.420 131 I HN 0.216 nan 8.210 nan 0.000 0.544 132 P HA 0.012 nan 4.420 nan 0.000 0.273 132 P C -0.253 177.099 177.300 0.087 0.000 1.258 132 P CA -0.311 62.819 63.100 0.050 0.000 0.802 132 P CB 0.731 32.513 31.700 0.138 0.000 1.040 133 E N -0.017 120.233 120.200 0.083 0.000 2.152 133 E HA 0.275 4.625 4.350 0.001 0.000 0.285 133 E C 0.063 176.718 176.600 0.093 0.000 1.043 133 E CA -0.470 55.974 56.400 0.074 0.000 0.839 133 E CB 0.823 30.550 29.700 0.046 0.000 1.069 133 E HN 0.249 nan 8.360 nan 0.000 0.399 134 V N 0.649 120.625 119.914 0.102 0.000 3.096 134 V HA 0.356 4.476 4.120 0.001 0.000 0.319 134 V C 0.596 176.714 176.094 0.040 0.000 1.103 134 V CA -1.073 61.276 62.300 0.081 0.000 1.016 134 V CB 1.448 33.336 31.823 0.109 0.000 1.090 134 V HN 0.400 nan 8.190 nan 0.000 0.449 135 N N 1.381 120.090 118.700 0.015 0.000 2.668 135 N HA 0.060 4.800 4.740 0.001 0.000 0.201 135 N C 0.704 176.219 175.510 0.008 0.000 1.408 135 N CA 0.858 53.911 53.050 0.006 0.000 0.905 135 N CB -0.841 37.641 38.487 -0.008 0.000 1.093 135 N HN 1.313 nan 8.380 nan 0.000 0.453 136 V N -2.503 117.422 119.914 0.018 0.000 5.620 136 V HA -0.240 3.880 4.120 0.001 0.000 0.192 136 V C 0.761 176.860 176.094 0.008 0.000 0.714 136 V CA 0.158 62.469 62.300 0.018 0.000 0.544 136 V CB -2.279 29.556 31.823 0.020 0.000 0.189 136 V HN 0.271 nan 8.190 nan 0.000 0.450 137 G N 1.393 110.193 108.800 -0.000 0.000 2.467 137 G HA2 0.489 4.450 3.960 0.001 0.000 0.257 137 G HA3 0.489 4.450 3.960 0.001 0.000 0.257 137 G C -0.203 174.700 174.900 0.005 0.000 1.227 137 G CA 0.050 45.150 45.100 0.000 0.000 0.835 137 G HN 0.939 nan 8.290 nan 0.000 0.556 138 E N 0.456 120.668 120.200 0.021 0.000 2.227 138 E HA 0.512 4.863 4.350 0.001 0.000 0.268 138 E C 0.630 177.267 176.600 0.062 0.000 0.907 138 E CA -0.045 56.378 56.400 0.038 0.000 0.786 138 E CB 1.358 31.083 29.700 0.042 0.000 1.191 138 E HN 1.253 nan 8.360 nan 0.000 0.411 139 G N 3.772 112.633 108.800 0.101 0.000 2.132 139 G HA2 -0.199 3.762 3.960 0.001 0.000 0.228 139 G HA3 -0.199 3.762 3.960 0.001 0.000 0.228 139 G C -0.435 174.570 174.900 0.175 0.000 1.000 139 G CA 0.475 45.668 45.100 0.155 0.000 0.693 139 G HN 0.690 nan 8.290 nan 0.000 0.515 140 D N -1.743 118.703 120.400 0.077 0.000 2.636 140 D HA 0.734 5.375 4.640 0.001 0.000 0.275 140 D C -0.554 175.533 176.300 -0.356 0.000 1.130 140 D CA -0.619 53.370 54.000 -0.018 0.000 1.031 140 D CB 1.824 42.614 40.800 -0.017 0.000 1.451 140 D HN 0.805 nan 8.370 nan 0.000 0.505 141 V N 0.327 119.965 119.914 -0.460 0.000 2.483 141 V HA 0.606 4.727 4.120 0.001 0.000 0.297 141 V C -0.953 174.846 176.094 -0.492 0.000 1.027 141 V CA -0.776 61.087 62.300 -0.728 0.000 0.855 141 V CB 1.303 32.424 31.823 -1.170 0.000 0.995 141 V HN 0.775 nan 8.190 nan 0.000 0.424 142 V N 4.938 124.615 119.914 -0.396 0.000 2.394 142 V HA 0.655 4.776 4.120 0.001 0.000 0.282 142 V C -0.759 175.147 176.094 -0.313 0.000 1.031 142 V CA -0.356 61.789 62.300 -0.258 0.000 0.881 142 V CB 1.133 32.905 31.823 -0.085 0.000 0.982 142 V HN 0.648 nan 8.190 nan 0.000 0.451 143 F N 7.288 127.156 119.950 -0.136 0.000 2.391 143 F HA 0.650 5.177 4.527 0.001 0.000 0.359 143 F C 0.415 176.103 175.800 -0.187 0.000 1.122 143 F CA -1.181 56.643 58.000 -0.293 0.000 1.120 143 F CB 1.637 40.166 39.000 -0.785 0.000 1.142 143 F HN 0.598 nan 8.300 nan 0.000 0.483 144 I N 3.519 124.116 120.570 0.046 0.000 2.563 144 I HA 0.327 4.498 4.170 0.001 0.000 0.276 144 I C -2.998 173.061 176.117 -0.096 0.000 1.074 144 I CA -2.616 58.646 61.300 -0.062 0.000 1.124 144 I CB 1.261 39.082 38.000 -0.298 0.000 1.225 144 I HN 0.217 nan 8.210 nan 0.000 0.482 145 P HA 0.103 nan 4.420 nan 0.000 0.267 145 P C -0.554 176.773 177.300 0.046 0.000 1.328 145 P CA 0.284 63.447 63.100 0.106 0.000 0.990 145 P CB 0.260 32.103 31.700 0.237 0.000 1.168 146 N N 4.915 123.581 118.700 -0.058 0.000 2.446 146 N HA 0.360 5.101 4.740 0.001 0.000 0.265 146 N C -2.646 172.833 175.510 -0.052 0.000 0.975 146 N CA -2.721 50.292 53.050 -0.061 0.000 0.928 146 N CB 0.712 39.063 38.487 -0.226 0.000 1.160 146 N HN 0.090 nan 8.380 nan 0.000 0.495 147 P HA 0.043 nan 4.420 nan 0.000 0.264 147 P C -0.474 176.908 177.300 0.137 0.000 1.193 147 P CA -0.019 63.083 63.100 0.003 0.000 0.763 147 P CB 0.386 32.112 31.700 0.043 0.000 0.810 148 N N 2.847 121.587 118.700 0.068 0.000 2.297 148 N HA 0.024 4.765 4.740 0.001 0.000 0.232 148 N C -0.144 175.519 175.510 0.255 0.000 1.311 148 N CA 0.184 53.365 53.050 0.219 0.000 0.897 148 N CB 0.285 38.936 38.487 0.273 0.000 1.137 148 N HN 0.327 nan 8.380 nan 0.000 0.449 149 N N -0.010 118.852 118.700 0.269 0.000 2.249 149 N HA 0.352 5.093 4.740 0.001 0.000 0.296 149 N C -2.542 173.053 175.510 0.141 0.000 1.051 149 N CA -1.838 51.337 53.050 0.208 0.000 0.815 149 N CB 2.371 40.994 38.487 0.226 0.000 1.487 149 N HN 0.378 nan 8.380 nan 0.000 0.475 150 P HA 0.079 nan 4.420 nan 0.000 0.259 150 P C 1.049 178.242 177.300 -0.179 0.000 1.233 150 P CA 0.383 63.475 63.100 -0.014 0.000 0.827 150 P CB 0.488 32.181 31.700 -0.011 0.000 1.154 151 T N -0.396 113.898 114.554 -0.433 0.000 2.929 151 T HA 0.028 4.378 4.350 0.001 0.000 0.271 151 T C 1.624 176.243 174.700 -0.136 0.000 1.085 151 T CA 1.820 63.569 62.100 -0.585 0.000 1.125 151 T CB -1.270 67.426 68.868 -0.287 0.000 0.874 151 T HN 0.265 nan 8.240 nan 0.000 0.494 152 G N 1.841 110.665 108.800 0.041 0.000 2.186 152 G HA2 -0.344 3.616 3.960 0.001 0.000 0.266 152 G HA3 -0.344 3.616 3.960 0.001 0.000 0.266 152 G C 0.271 175.078 174.900 -0.154 0.000 0.982 152 G CA 0.941 45.974 45.100 -0.112 0.000 0.670 152 G HN 0.984 nan 8.290 nan 0.000 0.533 153 H N -0.597 118.385 119.070 -0.147 0.000 2.023 153 H HA 0.567 5.123 4.556 0.001 0.000 0.345 153 H C 0.151 175.395 175.328 -0.140 0.000 2.037 153 H CA 0.590 56.542 56.048 -0.161 0.000 1.367 153 H CB 0.099 29.732 29.762 -0.216 0.000 1.630 153 H HN 0.363 nan 8.280 nan 0.000 0.505 154 V N -0.087 119.637 119.914 -0.318 0.000 2.962 154 V HA 0.301 4.422 4.120 0.001 0.000 0.313 154 V C -0.717 175.198 176.094 -0.298 0.000 1.099 154 V CA -0.649 61.475 62.300 -0.293 0.000 0.971 154 V CB 1.812 33.586 31.823 -0.082 0.000 1.028 154 V HN 0.546 nan 8.190 nan 0.000 0.430 155 F N 0.813 120.637 119.950 -0.211 0.000 2.523 155 F HA 0.604 5.132 4.527 0.001 0.000 0.329 155 F C 0.593 176.368 175.800 -0.041 0.000 1.061 155 F CA -0.643 57.298 58.000 -0.098 0.000 0.967 155 F CB 1.446 40.343 39.000 -0.171 0.000 1.218 155 F HN 0.457 nan 8.300 nan 0.000 0.480 156 E N 0.395 120.735 120.200 0.233 0.000 2.239 156 E HA 0.338 4.688 4.350 0.001 0.000 0.261 156 E C 0.860 177.685 176.600 0.376 0.000 1.016 156 E CA -0.853 55.711 56.400 0.273 0.000 0.882 156 E CB 1.341 31.149 29.700 0.179 0.000 1.190 156 E HN 0.526 nan 8.360 nan 0.000 0.415 157 R N 1.485 122.269 120.500 0.473 0.000 2.112 157 R HA -0.295 4.046 4.340 0.001 0.000 0.242 157 R C 1.399 177.874 176.300 0.291 0.000 1.137 157 R CA 2.397 58.829 56.100 0.553 0.000 0.944 157 R CB -0.226 30.292 30.300 0.364 0.000 0.857 157 R HN 0.638 nan 8.270 nan 0.000 0.435 158 E N 0.104 120.405 120.200 0.169 0.000 2.086 158 E HA -0.264 4.087 4.350 0.001 0.000 0.205 158 E C 1.996 178.639 176.600 0.073 0.000 1.027 158 E CA 2.017 58.468 56.400 0.084 0.000 0.830 158 E CB -0.195 29.547 29.700 0.069 0.000 0.751 158 E HN 0.418 nan 8.360 nan 0.000 0.456 159 E N 0.439 120.705 120.200 0.110 0.000 2.070 159 E HA -0.200 4.151 4.350 0.001 0.000 0.197 159 E C 2.014 178.621 176.600 0.011 0.000 1.004 159 E CA 0.981 57.426 56.400 0.075 0.000 0.805 159 E CB -0.170 29.638 29.700 0.180 0.000 0.744 159 E HN 0.236 nan 8.360 nan 0.000 0.451 160 I N 0.999 121.601 120.570 0.053 0.000 2.110 160 I HA -0.201 3.969 4.170 0.001 0.000 0.236 160 I C 2.071 178.146 176.117 -0.070 0.000 1.068 160 I CA 1.279 62.589 61.300 0.017 0.000 1.333 160 I CB -1.321 36.824 38.000 0.242 0.000 1.054 160 I HN 0.150 nan 8.210 nan 0.000 0.402 161 E N 0.517 120.649 120.200 -0.113 0.000 2.169 161 E HA -0.282 4.069 4.350 0.001 0.000 0.202 161 E C 2.203 178.744 176.600 -0.098 0.000 1.016 161 E CA 1.235 57.511 56.400 -0.206 0.000 0.817 161 E CB -0.475 29.111 29.700 -0.190 0.000 0.736 161 E HN 0.446 nan 8.360 nan 0.000 0.462 162 R N 0.921 121.392 120.500 -0.049 0.000 2.082 162 R HA -0.168 4.173 4.340 0.001 0.000 0.234 162 R C 2.017 178.303 176.300 -0.023 0.000 1.136 162 R CA 1.907 57.993 56.100 -0.023 0.000 0.935 162 R CB -0.293 30.003 30.300 -0.007 0.000 0.842 162 R HN 0.193 nan 8.270 nan 0.000 0.430 163 I N 0.066 120.619 120.570 -0.029 0.000 3.752 163 I HA 0.124 4.295 4.170 0.001 0.000 0.313 163 I C 1.029 177.106 176.117 -0.066 0.000 1.304 163 I CA 0.390 61.677 61.300 -0.021 0.000 1.171 163 I CB 0.472 38.483 38.000 0.019 0.000 1.038 163 I HN 0.156 nan 8.210 nan 0.000 0.427 164 L N 0.172 121.343 121.223 -0.087 0.000 2.526 164 L HA 0.320 4.661 4.340 0.001 0.000 0.210 164 L C 2.083 178.938 176.870 -0.024 0.000 1.048 164 L CA 1.247 56.012 54.840 -0.125 0.000 0.852 164 L CB -0.211 41.678 42.059 -0.284 0.000 1.128 164 L HN 0.081 nan 8.230 nan 0.000 0.482 165 K N -1.221 119.184 120.400 0.008 0.000 2.228 165 K HA -0.053 4.267 4.320 0.001 0.000 0.202 165 K C 1.774 178.386 176.600 0.020 0.000 1.051 165 K CA 1.208 57.522 56.287 0.045 0.000 0.960 165 K CB -0.226 32.297 32.500 0.039 0.000 0.743 165 K HN 0.285 nan 8.250 nan 0.000 0.458 166 T N -0.432 114.125 114.554 0.005 0.000 3.026 166 T HA -0.151 4.200 4.350 0.001 0.000 0.271 166 T C 1.378 176.084 174.700 0.010 0.000 1.149 166 T CA 1.612 63.715 62.100 0.006 0.000 1.088 166 T CB -0.405 68.464 68.868 0.003 0.000 0.857 166 T HN 0.573 nan 8.240 nan 0.000 0.551 167 G N 0.312 109.119 108.800 0.012 0.000 2.420 167 G HA2 -0.152 3.808 3.960 0.001 0.000 0.221 167 G HA3 -0.152 3.808 3.960 0.001 0.000 0.221 167 G C 0.568 175.478 174.900 0.016 0.000 1.117 167 G CA 0.122 45.238 45.100 0.026 0.000 0.657 167 G HN 1.377 nan 8.290 nan 0.000 0.512 168 A N 0.615 123.430 122.820 -0.008 0.000 2.616 168 A HA 0.369 4.690 4.320 0.001 0.000 0.234 168 A C 0.130 177.665 177.584 -0.081 0.000 1.024 168 A CA 0.848 52.859 52.037 -0.042 0.000 0.758 168 A CB -0.124 18.841 19.000 -0.059 0.000 0.939 168 A HN 1.527 nan 8.150 nan 0.000 0.510 169 F N 4.047 123.820 119.950 -0.295 0.000 2.438 169 F HA 0.396 4.923 4.527 0.001 0.000 0.360 169 F C 0.249 175.801 175.800 -0.413 0.000 1.118 169 F CA -0.194 57.588 58.000 -0.363 0.000 1.164 169 F CB 0.594 39.229 39.000 -0.609 0.000 1.131 169 F HN 0.336 nan 8.300 nan 0.000 0.527 170 V N 6.721 126.319 119.914 -0.527 0.000 2.427 170 V HA 0.405 4.526 4.120 0.001 0.000 0.268 170 V C 0.412 176.306 176.094 -0.333 0.000 1.046 170 V CA -0.305 61.780 62.300 -0.358 0.000 0.970 170 V CB 0.414 32.060 31.823 -0.295 0.000 1.001 170 V HN 0.898 nan 8.190 nan 0.000 0.476 171 A N 7.431 130.113 122.820 -0.230 0.000 2.644 171 A HA 0.653 4.974 4.320 0.001 0.000 0.343 171 A C -0.230 177.327 177.584 -0.044 0.000 1.324 171 A CA -0.540 51.415 52.037 -0.137 0.000 0.846 171 A CB 0.153 18.917 19.000 -0.393 0.000 1.128 171 A HN 0.987 nan 8.150 nan 0.000 0.484 172 L N 0.433 121.618 121.223 -0.064 0.000 2.260 172 L HA 0.475 4.816 4.340 0.001 0.000 0.289 172 L C -0.347 176.518 176.870 -0.008 0.000 1.057 172 L CA -0.606 54.195 54.840 -0.065 0.000 0.811 172 L CB 1.123 43.088 42.059 -0.157 0.000 1.184 172 L HN 0.438 nan 8.230 nan 0.000 0.429 173 D N 4.422 124.851 120.400 0.048 0.000 2.508 173 D HA 0.000 4.641 4.640 0.001 0.000 0.224 173 D C -0.014 176.273 176.300 -0.022 0.000 1.171 173 D CA -0.013 54.012 54.000 0.042 0.000 1.006 173 D CB 0.433 41.308 40.800 0.125 0.000 1.073 173 D HN 0.722 nan 8.370 nan 0.000 0.513 174 E N 1.957 122.134 120.200 -0.039 0.000 2.773 174 E HA 0.066 4.416 4.350 0.001 0.000 0.302 174 E C 1.242 177.830 176.600 -0.019 0.000 1.574 174 E CA -0.367 56.035 56.400 0.003 0.000 1.775 174 E CB 0.344 30.058 29.700 0.024 0.000 1.413 174 E HN 0.484 nan 8.360 nan 0.000 0.471 175 A N 0.426 123.159 122.820 -0.145 0.000 2.019 175 A HA -0.167 4.154 4.320 0.001 0.000 0.219 175 A C 0.926 178.312 177.584 -0.331 0.000 1.164 175 A CA 1.072 52.889 52.037 -0.366 0.000 0.644 175 A CB -0.148 18.408 19.000 -0.740 0.000 0.805 175 A HN 0.408 nan 8.150 nan 0.000 0.449 176 Y N -2.250 118.183 120.300 0.222 0.000 2.720 176 Y HA 0.223 4.773 4.550 0.000 0.000 0.277 176 Y C 1.207 177.314 175.900 0.346 0.000 1.144 176 Y CA -1.072 57.255 58.100 0.378 0.000 1.221 176 Y CB -0.889 37.796 38.460 0.375 0.000 1.163 176 Y HN 0.450 nan 8.280 nan 0.000 0.537 177 Y N 1.569 122.014 120.300 0.241 0.000 2.114 177 Y HA -0.317 4.234 4.550 0.002 0.000 0.282 177 Y C 1.690 177.688 175.900 0.163 0.000 1.165 177 Y CA 2.173 60.387 58.100 0.191 0.000 1.148 177 Y CB 0.126 38.653 38.460 0.112 0.000 0.972 177 Y HN 0.125 nan 8.280 nan 0.000 0.504 178 E N -0.173 120.125 120.200 0.164 0.000 2.160 178 E HA -0.169 4.182 4.350 0.001 0.000 0.195 178 E C 1.578 177.978 176.600 -0.335 0.000 0.991 178 E CA 1.621 57.930 56.400 -0.151 0.000 0.810 178 E CB -0.534 29.010 29.700 -0.260 0.000 0.742 178 E HN 0.600 nan 8.360 nan 0.000 0.466 179 F N -1.373 118.651 119.950 0.124 0.000 2.789 179 F HA 0.140 4.667 4.527 0.001 0.000 0.300 179 F C 1.797 177.628 175.800 0.053 0.000 1.132 179 F CA 0.412 58.471 58.000 0.098 0.000 1.404 179 F CB -0.031 39.071 39.000 0.169 0.000 1.114 179 F HN 0.092 nan 8.300 nan 0.000 0.584 180 H N -1.068 118.024 119.070 0.037 0.000 2.923 180 H HA 0.560 5.118 4.556 0.003 0.000 0.290 180 H C 1.892 177.130 175.328 -0.149 0.000 1.365 180 H CA 1.298 57.325 56.048 -0.035 0.000 1.982 180 H CB 0.233 29.988 29.762 -0.012 0.000 1.551 180 H HN -0.001 nan 8.280 nan 0.000 0.591 181 G N -1.058 107.476 108.800 -0.443 0.000 3.847 181 G HA2 -0.046 3.915 3.960 0.001 0.000 0.189 181 G HA3 -0.046 3.915 3.960 0.001 0.000 0.189 181 G C -0.434 174.282 174.900 -0.307 0.000 0.907 181 G CA 0.178 44.996 45.100 -0.471 0.000 0.893 181 G HN 0.534 nan 8.290 nan 0.000 0.379 182 E N 1.302 121.519 120.200 0.028 0.000 2.248 182 E HA 0.605 4.956 4.350 0.001 0.000 0.267 182 E C -0.402 176.447 176.600 0.414 0.000 0.877 182 E CA -0.420 56.102 56.400 0.203 0.000 0.759 182 E CB 1.898 31.681 29.700 0.138 0.000 1.182 182 E HN 0.319 nan 8.360 nan 0.000 0.418 183 S N 2.730 118.694 115.700 0.439 0.000 2.608 183 S HA 0.303 4.773 4.470 0.001 0.000 0.291 183 S C -0.145 174.574 174.600 0.199 0.000 1.146 183 S CA -0.632 57.799 58.200 0.384 0.000 1.043 183 S CB 0.667 64.013 63.200 0.243 0.000 1.037 183 S HN 0.558 nan 8.310 nan 0.000 0.520 184 Y N 1.234 121.424 120.300 -0.184 0.000 2.495 184 Y HA 0.243 4.793 4.550 0.000 0.000 0.293 184 Y C 1.568 177.247 175.900 -0.368 0.000 1.186 184 Y CA -1.082 56.718 58.100 -0.500 0.000 1.266 184 Y CB -0.749 37.310 38.460 -0.667 0.000 1.101 184 Y HN 0.567 nan 8.280 nan 0.000 0.517 185 V N -0.382 119.526 119.914 -0.010 0.000 3.330 185 V HA -0.221 3.900 4.120 0.001 0.000 0.273 185 V C 1.508 177.712 176.094 0.184 0.000 1.179 185 V CA 1.364 63.719 62.300 0.093 0.000 1.174 185 V CB -0.375 31.511 31.823 0.104 0.000 0.794 185 V HN 0.418 nan 8.190 nan 0.000 0.527 186 D N 0.741 121.134 120.400 -0.012 0.000 2.084 186 D HA -0.139 4.502 4.640 0.001 0.000 0.196 186 D C 2.122 178.484 176.300 0.103 0.000 0.985 186 D CA 1.247 55.221 54.000 -0.044 0.000 0.826 186 D CB -0.309 40.420 40.800 -0.118 0.000 0.978 186 D HN 0.501 nan 8.370 nan 0.000 0.456 187 F N 0.640 120.581 119.950 -0.016 0.000 2.225 187 F HA -0.202 4.327 4.527 0.002 0.000 0.302 187 F C 2.156 178.043 175.800 0.145 0.000 1.068 187 F CA -0.311 57.698 58.000 0.016 0.000 1.327 187 F CB -0.175 38.725 39.000 -0.166 0.000 1.043 187 F HN -0.027 nan 8.300 nan 0.000 0.506 188 L N 0.797 122.209 121.223 0.314 0.000 2.784 188 L HA -0.141 4.200 4.340 0.001 0.000 0.247 188 L C 1.584 178.619 176.870 0.275 0.000 1.162 188 L CA 1.303 56.321 54.840 0.297 0.000 0.881 188 L CB -0.879 41.386 42.059 0.343 0.000 1.032 188 L HN -0.001 nan 8.230 nan 0.000 0.446 189 K N -1.247 119.245 120.400 0.154 0.000 2.190 189 K HA 0.046 4.366 4.320 0.001 0.000 0.202 189 K C 1.535 178.149 176.600 0.022 0.000 1.045 189 K CA 0.645 56.934 56.287 0.004 0.000 0.976 189 K CB 0.206 32.576 32.500 -0.216 0.000 0.849 189 K HN 0.040 nan 8.250 nan 0.000 0.468 190 K N -0.358 120.055 120.400 0.022 0.000 2.374 190 K HA 0.144 4.464 4.320 0.001 0.000 0.196 190 K C -0.530 175.765 176.600 -0.508 0.000 1.023 190 K CA 0.301 56.426 56.287 -0.270 0.000 1.103 190 K CB 0.418 32.646 32.500 -0.452 0.000 0.848 190 K HN 0.021 nan 8.250 nan 0.000 0.528 191 Y N -0.433 119.855 120.300 -0.021 0.000 2.524 191 Y HA 0.364 4.915 4.550 0.001 0.000 0.344 191 Y C 0.673 176.567 175.900 -0.010 0.000 1.012 191 Y CA -1.079 56.999 58.100 -0.037 0.000 1.068 191 Y CB 1.797 40.213 38.460 -0.074 0.000 1.249 191 Y HN -0.121 nan 8.280 nan 0.000 0.468 192 E N -0.048 120.224 120.200 0.119 0.000 2.571 192 E HA 0.007 4.357 4.350 0.001 0.000 0.222 192 E C 0.061 176.684 176.600 0.038 0.000 0.904 192 E CA 0.128 56.592 56.400 0.106 0.000 1.157 192 E CB 0.281 30.058 29.700 0.128 0.000 1.158 192 E HN 0.740 nan 8.360 nan 0.000 0.540 193 N N 1.073 119.709 118.700 -0.107 0.000 2.346 193 N HA 0.098 4.839 4.740 0.001 0.000 0.225 193 N C -0.293 174.354 175.510 -1.438 0.000 1.144 193 N CA -0.042 52.717 53.050 -0.484 0.000 0.837 193 N CB 0.291 38.666 38.487 -0.187 0.000 1.069 193 N HN -0.024 nan 8.380 nan 0.000 0.487 194 L N -0.138 120.526 121.223 -0.931 0.000 2.333 194 L HA 0.887 5.228 4.340 0.001 0.000 0.269 194 L C -1.245 175.327 176.870 -0.496 0.000 1.010 194 L CA -0.944 53.433 54.840 -0.771 0.000 0.818 194 L CB 1.954 43.853 42.059 -0.267 0.000 1.306 194 L HN 0.166 nan 8.230 nan 0.000 0.430 195 A N 3.727 126.372 122.820 -0.292 0.000 2.465 195 A HA 0.679 4.999 4.320 0.001 0.000 0.292 195 A C -1.676 175.874 177.584 -0.058 0.000 1.041 195 A CA -0.526 51.462 52.037 -0.082 0.000 0.718 195 A CB 1.332 20.303 19.000 -0.049 0.000 1.266 195 A HN 0.459 nan 8.150 nan 0.000 0.403 196 V N 3.529 123.411 119.914 -0.053 0.000 2.439 196 V HA 0.420 4.541 4.120 0.001 0.000 0.282 196 V C -0.324 175.705 176.094 -0.109 0.000 1.039 196 V CA -0.458 61.796 62.300 -0.077 0.000 0.913 196 V CB 1.358 33.126 31.823 -0.091 0.000 0.983 196 V HN 0.665 nan 8.190 nan 0.000 0.460 197 I N 5.567 126.077 120.570 -0.100 0.000 2.460 197 I HA 0.469 4.640 4.170 0.001 0.000 0.277 197 I C 0.455 176.455 176.117 -0.194 0.000 1.057 197 I CA -0.335 60.895 61.300 -0.116 0.000 1.179 197 I CB 0.688 38.689 38.000 0.002 0.000 1.329 197 I HN 0.586 nan 8.210 nan 0.000 0.478 198 R N 2.577 122.838 120.500 -0.398 0.000 2.524 198 R HA 0.736 5.076 4.340 0.001 0.000 0.236 198 R C 0.244 176.455 176.300 -0.149 0.000 1.240 198 R CA -0.395 55.467 56.100 -0.398 0.000 1.111 198 R CB 1.187 30.912 30.300 -0.959 0.000 1.436 198 R HN 0.565 nan 8.270 nan 0.000 0.573 199 T N -1.452 113.141 114.554 0.065 0.000 2.827 199 T HA 0.351 4.702 4.350 0.001 0.000 0.328 199 T C -0.806 174.036 174.700 0.237 0.000 1.598 199 T CA -0.572 61.655 62.100 0.211 0.000 1.043 199 T CB 0.571 69.485 68.868 0.078 0.000 1.447 199 T HN 0.280 nan 8.240 nan 0.000 0.491 200 F N 1.346 121.373 119.950 0.128 0.000 2.731 200 F HA 0.271 4.799 4.527 0.001 0.000 0.298 200 F C 2.582 178.484 175.800 0.170 0.000 1.106 200 F CA 0.093 58.146 58.000 0.089 0.000 1.329 200 F CB 0.282 39.200 39.000 -0.137 0.000 1.100 200 F HN 0.535 nan 8.300 nan 0.000 0.592 201 S N 0.365 116.229 115.700 0.274 0.000 2.368 201 S HA -0.169 4.302 4.470 0.001 0.000 0.225 201 S C 2.076 176.827 174.600 0.251 0.000 1.030 201 S CA 1.101 59.425 58.200 0.205 0.000 0.999 201 S CB -0.122 63.152 63.200 0.124 0.000 0.844 201 S HN 0.217 nan 8.310 nan 0.000 0.459 202 K N 2.377 122.933 120.400 0.260 0.000 1.968 202 K HA -0.005 4.316 4.320 0.001 0.000 0.222 202 K C 2.367 179.257 176.600 0.485 0.000 1.043 202 K CA 1.594 58.111 56.287 0.383 0.000 0.991 202 K CB -1.206 31.524 32.500 0.384 0.000 0.744 202 K HN 0.380 nan 8.250 nan 0.000 0.445 203 A N 0.446 123.473 122.820 0.346 0.000 1.970 203 A HA 0.026 4.346 4.320 0.001 0.000 0.216 203 A C 1.999 179.594 177.584 0.018 0.000 1.170 203 A CA 0.771 52.849 52.037 0.068 0.000 0.645 203 A CB -0.549 18.206 19.000 -0.408 0.000 0.816 203 A HN 0.267 nan 8.150 nan 0.000 0.447 204 F N 0.491 120.505 119.950 0.106 0.000 2.780 204 F HA 0.094 4.623 4.527 0.004 0.000 0.299 204 F C 1.002 177.036 175.800 0.390 0.000 1.146 204 F CA 0.924 58.913 58.000 -0.018 0.000 1.428 204 F CB 0.001 38.848 39.000 -0.256 0.000 1.115 204 F HN 0.130 nan 8.300 nan 0.000 0.583 205 S N 0.496 116.497 115.700 0.503 0.000 3.858 205 S HA -0.163 4.308 4.470 0.001 0.000 0.356 205 S C 0.006 174.804 174.600 0.330 0.000 1.013 205 S CA 0.023 58.495 58.200 0.453 0.000 1.083 205 S CB -1.900 61.644 63.200 0.573 0.000 0.883 205 S HN 0.189 nan 8.310 nan 0.000 0.475 206 L N -0.548 120.810 121.223 0.224 0.000 3.255 206 L HA 0.585 4.926 4.340 0.001 0.000 0.293 206 L C 1.477 178.357 176.870 0.016 0.000 1.302 206 L CA 0.635 55.480 54.840 0.009 0.000 0.977 206 L CB -0.099 41.971 42.059 0.017 0.000 1.390 206 L HN 0.494 nan 8.230 nan 0.000 0.588 207 A N -0.302 122.551 122.820 0.056 0.000 2.119 207 A HA 0.235 4.556 4.320 0.001 0.000 0.216 207 A C 2.037 179.617 177.584 -0.008 0.000 1.152 207 A CA 1.267 53.334 52.037 0.049 0.000 0.708 207 A CB -0.040 19.008 19.000 0.080 0.000 0.805 207 A HN 0.352 nan 8.150 nan 0.000 0.460 208 A N -1.786 120.996 122.820 -0.062 0.000 2.275 208 A HA 0.179 4.499 4.320 0.001 0.000 0.212 208 A C 1.672 179.175 177.584 -0.135 0.000 1.201 208 A CA 0.343 52.327 52.037 -0.089 0.000 0.843 208 A CB 0.041 18.980 19.000 -0.102 0.000 0.873 208 A HN 0.324 nan 8.150 nan 0.000 0.492 209 Q N -0.063 119.633 119.800 -0.175 0.000 2.247 209 Q HA 0.073 4.414 4.340 0.001 0.000 0.211 209 Q C -0.413 175.518 176.000 -0.115 0.000 0.861 209 Q CA -0.063 55.621 55.803 -0.198 0.000 0.949 209 Q CB 0.380 28.907 28.738 -0.353 0.000 1.115 209 Q HN 0.564 nan 8.270 nan 0.000 0.507 210 R N -0.277 120.184 120.500 -0.064 0.000 3.127 210 R HA -0.125 4.216 4.340 0.001 0.000 0.247 210 R C -0.847 175.445 176.300 -0.014 0.000 0.896 210 R CA 0.234 56.323 56.100 -0.019 0.000 0.624 210 R CB -3.232 27.057 30.300 -0.019 0.000 1.154 210 R HN -0.067 nan 8.270 nan 0.000 0.474 211 V N 0.268 120.177 119.914 -0.008 0.000 2.325 211 V HA 0.714 4.834 4.120 0.001 0.000 0.280 211 V C 0.998 177.188 176.094 0.159 0.000 1.016 211 V CA -0.160 62.119 62.300 -0.034 0.000 0.818 211 V CB 1.986 33.630 31.823 -0.298 0.000 1.019 211 V HN 0.596 nan 8.190 nan 0.000 0.434 212 G N 3.635 112.562 108.800 0.212 0.000 2.533 212 G HA2 0.795 4.755 3.960 0.001 0.000 0.304 212 G HA3 0.795 4.755 3.960 0.001 0.000 0.304 212 G C -1.372 173.782 174.900 0.423 0.000 1.263 212 G CA -0.734 44.583 45.100 0.362 0.000 0.964 212 G HN 0.694 nan 8.290 nan 0.000 0.479 213 Y N -1.431 118.950 120.300 0.135 0.000 2.570 213 Y HA 0.785 5.336 4.550 0.000 0.000 0.345 213 Y C -1.033 174.900 175.900 0.054 0.000 1.014 213 Y CA -1.718 56.443 58.100 0.101 0.000 1.063 213 Y CB 2.486 41.018 38.460 0.119 0.000 1.272 213 Y HN 0.508 nan 8.280 nan 0.000 0.477 214 V N 3.473 123.403 119.914 0.027 0.000 2.482 214 V HA 0.522 4.642 4.120 0.001 0.000 0.295 214 V C -1.347 174.750 176.094 0.004 0.000 1.026 214 V CA -0.648 61.607 62.300 -0.075 0.000 0.856 214 V CB 1.420 33.170 31.823 -0.121 0.000 1.001 214 V HN 0.756 nan 8.190 nan 0.000 0.424 215 V N 7.296 127.191 119.914 -0.032 0.000 2.383 215 V HA 0.932 5.052 4.120 0.001 0.000 0.275 215 V C 0.585 176.709 176.094 0.051 0.000 1.036 215 V CA 0.657 62.972 62.300 0.025 0.000 0.889 215 V CB 0.583 32.397 31.823 -0.015 0.000 0.985 215 V HN 1.229 nan 8.190 nan 0.000 0.459 216 A N 3.562 126.457 122.820 0.124 0.000 2.594 216 A HA 0.800 5.121 4.320 0.001 0.000 0.307 216 A C -0.140 177.577 177.584 0.222 0.000 1.203 216 A CA -0.251 51.883 52.037 0.161 0.000 0.644 216 A CB 1.085 20.209 19.000 0.205 0.000 1.349 216 A HN 0.709 nan 8.150 nan 0.000 0.510 217 S N -0.906 114.962 115.700 0.279 0.000 2.579 217 S HA 0.100 4.570 4.470 0.001 0.000 0.275 217 S C 1.085 175.846 174.600 0.269 0.000 1.345 217 S CA 0.807 59.168 58.200 0.269 0.000 1.031 217 S CB 0.701 64.074 63.200 0.288 0.000 0.892 217 S HN 0.761 nan 8.310 nan 0.000 0.529 218 E N 2.479 122.794 120.200 0.192 0.000 2.118 218 E HA -0.209 4.142 4.350 0.001 0.000 0.195 218 E C 1.861 178.552 176.600 0.151 0.000 0.992 218 E CA 1.464 57.953 56.400 0.148 0.000 0.804 218 E CB -0.127 29.640 29.700 0.111 0.000 0.741 218 E HN 0.739 nan 8.360 nan 0.000 0.458 219 K N -0.565 119.940 120.400 0.175 0.000 2.155 219 K HA -0.131 4.190 4.320 0.001 0.000 0.203 219 K C 1.936 178.648 176.600 0.187 0.000 1.052 219 K CA 1.032 57.413 56.287 0.156 0.000 0.948 219 K CB -0.200 32.396 32.500 0.159 0.000 0.728 219 K HN 0.148 nan 8.250 nan 0.000 0.448 220 F N 1.317 121.357 119.950 0.150 0.000 2.163 220 F HA -0.143 4.385 4.527 0.001 0.000 0.297 220 F C 1.648 177.527 175.800 0.131 0.000 1.094 220 F CA 0.847 58.941 58.000 0.156 0.000 1.290 220 F CB -0.037 39.122 39.000 0.264 0.000 1.017 220 F HN -0.081 nan 8.300 nan 0.000 0.483 221 I N 1.090 121.759 120.570 0.166 0.000 2.069 221 I HA -0.364 3.807 4.170 0.001 0.000 0.237 221 I C 2.256 178.348 176.117 -0.043 0.000 1.053 221 I CA 2.193 63.540 61.300 0.079 0.000 1.311 221 I CB -1.625 36.470 38.000 0.159 0.000 1.030 221 I HN 0.213 nan 8.210 nan 0.000 0.398 222 D N 0.248 120.638 120.400 -0.016 0.000 2.254 222 D HA -0.204 4.437 4.640 0.001 0.000 0.201 222 D C 2.035 178.263 176.300 -0.119 0.000 0.998 222 D CA 1.614 55.586 54.000 -0.047 0.000 0.885 222 D CB 0.186 40.975 40.800 -0.019 0.000 0.915 222 D HN 0.403 nan 8.370 nan 0.000 0.460 223 A N -0.879 121.818 122.820 -0.205 0.000 1.878 223 A HA -0.077 4.243 4.320 0.001 0.000 0.213 223 A C 2.084 179.470 177.584 -0.330 0.000 1.192 223 A CA 1.087 52.955 52.037 -0.281 0.000 0.619 223 A CB -1.134 17.656 19.000 -0.350 0.000 0.837 223 A HN 0.519 nan 8.150 nan 0.000 0.446 224 Y N 1.303 121.240 120.300 -0.605 0.000 2.274 224 Y HA -0.186 4.365 4.550 0.001 0.000 0.290 224 Y C 1.746 177.511 175.900 -0.225 0.000 1.145 224 Y CA 1.979 59.810 58.100 -0.449 0.000 1.203 224 Y CB -0.210 37.955 38.460 -0.492 0.000 0.984 224 Y HN 0.328 nan 8.280 nan 0.000 0.533 225 N N 0.137 118.687 118.700 -0.249 0.000 2.459 225 N HA -0.045 4.696 4.740 0.001 0.000 0.181 225 N C 1.468 176.817 175.510 -0.270 0.000 1.046 225 N CA 0.917 53.808 53.050 -0.265 0.000 0.904 225 N CB -0.106 38.316 38.487 -0.109 0.000 0.964 225 N HN 0.429 nan 8.380 nan 0.000 0.444 226 R N -0.577 119.777 120.500 -0.243 0.000 2.140 226 R HA 0.150 4.491 4.340 0.001 0.000 0.213 226 R C 1.546 177.717 176.300 -0.215 0.000 1.059 226 R CA 0.580 56.559 56.100 -0.202 0.000 1.000 226 R CB 0.106 30.308 30.300 -0.164 0.000 0.910 226 R HN 0.072 nan 8.270 nan 0.000 0.455 227 V N 1.971 121.731 119.914 -0.257 0.000 2.446 227 V HA -0.086 4.035 4.120 0.001 0.000 0.244 227 V C 1.352 177.305 176.094 -0.235 0.000 1.039 227 V CA 0.842 63.010 62.300 -0.220 0.000 1.045 227 V CB -0.615 31.090 31.823 -0.196 0.000 0.681 227 V HN 0.329 nan 8.190 nan 0.000 0.459 228 R N 0.898 121.171 120.500 -0.378 0.000 2.919 228 R HA 0.262 4.603 4.340 0.001 0.000 0.284 228 R C -0.134 176.022 176.300 -0.240 0.000 1.104 228 R CA -0.445 55.448 56.100 -0.344 0.000 1.207 228 R CB 0.043 29.966 30.300 -0.628 0.000 1.162 228 R HN 0.212 nan 8.270 nan 0.000 0.561 229 L N 1.392 122.514 121.223 -0.169 0.000 2.426 229 L HA 0.118 4.459 4.340 0.001 0.000 0.271 229 L C -1.481 175.266 176.870 -0.205 0.000 1.169 229 L CA -1.794 52.968 54.840 -0.131 0.000 0.836 229 L CB 1.028 43.056 42.059 -0.052 0.000 1.112 229 L HN 0.595 nan 8.230 nan 0.000 0.465 230 P HA -0.157 nan 4.420 nan 0.000 0.214 230 P C -0.048 176.871 177.300 -0.635 0.000 1.163 230 P CA 1.464 64.217 63.100 -0.578 0.000 0.883 230 P CB 0.153 31.336 31.700 -0.862 0.000 0.788 231 F N -0.241 119.722 119.950 0.022 0.000 2.366 231 F HA 0.223 4.751 4.527 0.001 0.000 0.328 231 F C 1.266 177.095 175.800 0.049 0.000 1.180 231 F CA -0.857 57.183 58.000 0.066 0.000 1.232 231 F CB -0.416 38.673 39.000 0.147 0.000 1.513 231 F HN -0.095 nan 8.300 nan 0.000 0.540 232 N N 0.546 119.314 118.700 0.114 0.000 2.173 232 N HA -0.073 4.668 4.740 0.001 0.000 0.184 232 N C 0.311 175.875 175.510 0.090 0.000 1.025 232 N CA 0.745 53.841 53.050 0.076 0.000 0.852 232 N CB -0.499 38.006 38.487 0.030 0.000 0.998 232 N HN 0.189 nan 8.380 nan 0.000 0.427 233 V N -0.174 119.802 119.914 0.104 0.000 2.364 233 V HA 0.559 4.680 4.120 0.001 0.000 0.272 233 V C 0.492 176.654 176.094 0.113 0.000 1.036 233 V CA -1.419 60.928 62.300 0.079 0.000 0.880 233 V CB 0.316 32.168 31.823 0.049 0.000 0.991 233 V HN 0.432 nan 8.190 nan 0.000 0.460 234 S N 3.911 119.655 115.700 0.073 0.000 2.564 234 S HA -0.028 4.443 4.470 0.001 0.000 0.263 234 S C 0.770 175.421 174.600 0.085 0.000 1.378 234 S CA 0.757 59.002 58.200 0.074 0.000 0.996 234 S CB -0.007 63.202 63.200 0.015 0.000 0.881 234 S HN 1.063 nan 8.310 nan 0.000 0.555 235 Y N 1.793 122.036 120.300 -0.095 0.000 2.133 235 Y HA -0.072 4.479 4.550 0.002 0.000 0.287 235 Y C 2.184 177.921 175.900 -0.272 0.000 1.134 235 Y CA 1.885 59.807 58.100 -0.297 0.000 1.133 235 Y CB -1.003 37.128 38.460 -0.549 0.000 0.987 235 Y HN 0.434 nan 8.280 nan 0.000 0.502 236 V N -0.421 119.280 119.914 -0.354 0.000 2.407 236 V HA -0.288 3.833 4.120 0.001 0.000 0.248 236 V C 2.454 178.417 176.094 -0.219 0.000 1.055 236 V CA 2.051 64.102 62.300 -0.416 0.000 1.049 236 V CB -1.016 30.671 31.823 -0.226 0.000 0.662 236 V HN 0.406 nan 8.190 nan 0.000 0.455 237 S N -1.230 114.401 115.700 -0.115 0.000 2.368 237 S HA -0.126 4.345 4.470 0.001 0.000 0.224 237 S C 1.144 175.642 174.600 -0.171 0.000 1.029 237 S CA 0.866 59.018 58.200 -0.080 0.000 0.988 237 S CB -0.210 62.935 63.200 -0.092 0.000 0.838 237 S HN 0.684 nan 8.310 nan 0.000 0.462 241 A N 0.870 123.506 122.820 -0.307 0.000 1.851 241 A HA -0.191 4.130 4.320 0.001 0.000 0.216 241 A C 2.093 179.415 177.584 -0.436 0.000 1.195 241 A CA 2.247 53.799 52.037 -0.808 0.000 0.622 241 A CB -0.643 17.684 19.000 -1.122 0.000 0.831 241 A HN 0.342 nan 8.150 nan 0.000 0.444 242 K N -0.467 119.761 120.400 -0.287 0.000 2.020 242 K HA -0.172 4.149 4.320 0.001 0.000 0.212 242 K C 2.020 178.599 176.600 -0.036 0.000 1.050 242 K CA 2.061 58.257 56.287 -0.151 0.000 0.929 242 K CB -0.657 31.764 32.500 -0.130 0.000 0.714 242 K HN 0.568 nan 8.250 nan 0.000 0.443 243 V N -1.621 118.312 119.914 0.032 0.000 2.626 243 V HA -0.067 4.053 4.120 0.001 0.000 0.252 243 V C 2.186 178.499 176.094 0.365 0.000 1.067 243 V CA 1.645 64.063 62.300 0.198 0.000 1.081 243 V CB -0.846 31.108 31.823 0.219 0.000 0.686 243 V HN 0.225 nan 8.190 nan 0.000 0.468 244 A N 0.680 123.704 122.820 0.341 0.000 1.972 244 A HA 0.041 4.361 4.320 0.001 0.000 0.219 244 A C 2.211 179.980 177.584 0.309 0.000 1.169 244 A CA 2.013 54.307 52.037 0.430 0.000 0.635 244 A CB -0.565 18.558 19.000 0.205 0.000 0.810 244 A HN 0.597 nan 8.150 nan 0.000 0.446 245 L N -0.944 120.331 121.223 0.087 0.000 2.446 245 L HA 0.003 4.344 4.340 0.001 0.000 0.219 245 L C 0.978 177.900 176.870 0.086 0.000 1.116 245 L CA 0.490 55.343 54.840 0.021 0.000 0.844 245 L CB -0.298 41.678 42.059 -0.139 0.000 0.970 245 L HN 0.228 nan 8.230 nan 0.000 0.457 246 D N -0.870 119.565 120.400 0.059 0.000 2.349 246 D HA -0.003 4.637 4.640 0.001 0.000 0.224 246 D C 0.645 176.697 176.300 -0.413 0.000 1.029 246 D CA 0.796 54.709 54.000 -0.145 0.000 0.879 246 D CB 0.285 40.976 40.800 -0.182 0.000 0.906 246 D HN 0.348 nan 8.370 nan 0.000 0.528 247 H N -0.046 119.178 119.070 0.257 0.000 3.074 247 H HA 0.079 4.635 4.556 -0.001 0.000 0.227 247 H C 1.452 177.037 175.328 0.428 0.000 1.365 247 H CA -0.124 56.076 56.048 0.254 0.000 1.078 247 H CB 0.659 30.538 29.762 0.194 0.000 2.347 247 H HN 0.028 nan 8.280 nan 0.000 0.567 248 R N 1.467 122.269 120.500 0.502 0.000 2.152 248 R HA -0.153 4.187 4.340 0.001 0.000 0.232 248 R C 1.360 177.887 176.300 0.377 0.000 1.117 248 R CA 1.435 57.899 56.100 0.607 0.000 0.981 248 R CB -0.474 30.107 30.300 0.468 0.000 0.870 248 R HN 0.579 nan 8.270 nan 0.000 0.451 249 E N 1.612 121.952 120.200 0.233 0.000 2.086 249 E HA -0.248 4.102 4.350 0.001 0.000 0.205 249 E C 2.115 178.727 176.600 0.020 0.000 1.027 249 E CA 2.047 58.514 56.400 0.112 0.000 0.830 249 E CB -0.747 29.004 29.700 0.085 0.000 0.751 249 E HN 0.456 nan 8.360 nan 0.000 0.456 250 I N 0.009 120.539 120.570 -0.066 0.000 2.335 250 I HA -0.221 3.949 4.170 0.001 0.000 0.251 250 I C 1.997 177.850 176.117 -0.440 0.000 1.129 250 I CA 1.222 62.329 61.300 -0.323 0.000 1.402 250 I CB -0.348 37.328 38.000 -0.540 0.000 1.069 250 I HN 0.068 nan 8.210 nan 0.000 0.424 251 F N 0.560 120.471 119.950 -0.066 0.000 2.416 251 F HA -0.036 4.493 4.527 0.003 0.000 0.296 251 F C 2.492 178.200 175.800 -0.153 0.000 1.099 251 F CA 0.466 58.366 58.000 -0.167 0.000 1.427 251 F CB -0.274 38.485 39.000 -0.402 0.000 1.079 251 F HN -0.046 nan 8.300 nan 0.000 0.536 252 E N 0.816 121.048 120.200 0.053 0.000 2.017 252 E HA -0.267 4.083 4.350 0.001 0.000 0.193 252 E C 2.116 178.725 176.600 0.015 0.000 0.997 252 E CA 1.411 57.829 56.400 0.030 0.000 0.804 252 E CB -0.726 29.003 29.700 0.048 0.000 0.757 252 E HN 0.533 nan 8.360 nan 0.000 0.448 253 E N 1.047 121.237 120.200 -0.017 0.000 2.070 253 E HA -0.240 4.111 4.350 0.001 0.000 0.197 253 E C 2.049 178.661 176.600 0.020 0.000 1.004 253 E CA 1.317 57.703 56.400 -0.024 0.000 0.805 253 E CB 0.024 29.664 29.700 -0.100 0.000 0.744 253 E HN 0.145 nan 8.360 nan 0.000 0.451 254 R N -0.402 120.084 120.500 -0.024 0.000 2.115 254 R HA -0.022 4.319 4.340 0.001 0.000 0.226 254 R C 2.428 178.939 176.300 0.353 0.000 1.100 254 R CA 1.504 57.664 56.100 0.101 0.000 0.980 254 R CB -0.294 29.996 30.300 -0.016 0.000 0.875 254 R HN 0.178 nan 8.270 nan 0.000 0.445 255 T N 1.333 115.996 114.554 0.182 0.000 2.770 255 T HA -0.040 4.311 4.350 0.001 0.000 0.263 255 T C 1.637 176.432 174.700 0.159 0.000 1.039 255 T CA 0.982 63.148 62.100 0.110 0.000 1.142 255 T CB 0.032 68.808 68.868 -0.153 0.000 0.868 255 T HN 0.202 nan 8.240 nan 0.000 0.435 256 K N 0.283 120.756 120.400 0.121 0.000 2.362 256 K HA 0.015 4.336 4.320 0.001 0.000 0.200 256 K C 1.815 178.524 176.600 0.181 0.000 1.046 256 K CA 0.601 56.955 56.287 0.112 0.000 0.952 256 K CB -0.181 32.362 32.500 0.071 0.000 0.753 256 K HN 0.320 nan 8.250 nan 0.000 0.466 257 F N 1.669 121.686 119.950 0.112 0.000 2.234 257 F HA -0.117 4.408 4.527 -0.004 0.000 0.296 257 F C 1.655 177.559 175.800 0.174 0.000 1.089 257 F CA 0.790 58.874 58.000 0.139 0.000 1.343 257 F CB 0.017 39.134 39.000 0.194 0.000 1.040 257 F HN -0.180 nan 8.300 nan 0.000 0.498 258 I N 1.100 121.745 120.570 0.124 0.000 2.090 258 I HA -0.231 3.939 4.170 0.001 0.000 0.236 258 I C 2.856 178.956 176.117 -0.028 0.000 1.064 258 I CA 1.819 63.139 61.300 0.032 0.000 1.324 258 I CB -1.893 36.356 38.000 0.415 0.000 1.044 258 I HN 0.214 nan 8.210 nan 0.000 0.399 259 V N 0.240 120.210 119.914 0.092 0.000 2.222 259 V HA -0.339 3.781 4.120 0.001 0.000 0.252 259 V C 2.256 178.321 176.094 -0.049 0.000 1.060 259 V CA 2.248 64.569 62.300 0.034 0.000 1.027 259 V CB -1.421 30.428 31.823 0.043 0.000 0.644 259 V HN 0.423 nan 8.190 nan 0.000 0.448 260 E N 0.221 120.388 120.200 -0.056 0.000 2.021 260 E HA -0.324 4.027 4.350 0.001 0.000 0.200 260 E C 2.273 178.790 176.600 -0.140 0.000 1.015 260 E CA 1.897 58.252 56.400 -0.074 0.000 0.824 260 E CB -0.335 29.345 29.700 -0.033 0.000 0.762 260 E HN 0.777 nan 8.360 nan 0.000 0.454 261 E N 0.895 120.925 120.200 -0.283 0.000 2.171 261 E HA -0.241 4.109 4.350 0.001 0.000 0.197 261 E C 1.987 178.465 176.600 -0.204 0.000 0.997 261 E CA 1.587 57.795 56.400 -0.320 0.000 0.810 261 E CB -0.035 29.282 29.700 -0.638 0.000 0.738 261 E HN 0.160 nan 8.360 nan 0.000 0.467 262 R N 0.190 120.583 120.500 -0.179 0.000 2.056 262 R HA -0.122 4.219 4.340 0.001 0.000 0.227 262 R C 2.165 178.398 176.300 -0.112 0.000 1.149 262 R CA 1.613 57.627 56.100 -0.143 0.000 0.937 262 R CB -0.458 29.757 30.300 -0.141 0.000 0.835 262 R HN 0.023 nan 8.270 nan 0.000 0.430 263 E N 0.778 120.923 120.200 -0.092 0.000 2.284 263 E HA -0.207 4.143 4.350 0.001 0.000 0.200 263 E C 0.524 177.089 176.600 -0.059 0.000 1.008 263 E CA 1.432 57.791 56.400 -0.069 0.000 0.829 263 E CB -0.124 29.545 29.700 -0.052 0.000 0.744 263 E HN 0.408 nan 8.360 nan 0.000 0.491 267 S N 1.462 117.149 115.700 -0.021 0.000 2.442 267 S HA -0.054 4.417 4.470 0.001 0.000 0.236 267 S C 1.912 176.512 174.600 -0.001 0.000 1.007 267 S CA 1.170 59.366 58.200 -0.007 0.000 0.965 267 S CB -0.083 63.111 63.200 -0.010 0.000 0.773 267 S HN 0.380 nan 8.310 nan 0.000 0.504 268 A N 0.972 123.785 122.820 -0.011 0.000 2.081 268 A HA 0.453 4.774 4.320 0.001 0.000 0.214 268 A C 2.122 179.708 177.584 0.003 0.000 1.158 268 A CA 0.291 52.325 52.037 -0.005 0.000 0.724 268 A CB -0.427 18.563 19.000 -0.017 0.000 0.826 268 A HN 0.509 nan 8.150 nan 0.000 0.463 269 L N -0.478 120.740 121.223 -0.008 0.000 2.209 269 L HA -0.080 4.261 4.340 0.001 0.000 0.207 269 L C 2.711 179.636 176.870 0.092 0.000 1.094 269 L CA 1.328 56.168 54.840 -0.001 0.000 0.790 269 L CB -0.202 41.822 42.059 -0.059 0.000 0.932 269 L HN 0.542 nan 8.230 nan 0.000 0.447 270 R N -0.020 120.518 120.500 0.063 0.000 2.119 270 R HA 0.009 4.350 4.340 0.001 0.000 0.222 270 R C 1.097 177.434 176.300 0.062 0.000 1.088 270 R CA 0.583 56.726 56.100 0.072 0.000 0.984 270 R CB -0.487 29.840 30.300 0.045 0.000 0.884 270 R HN 0.096 nan 8.270 nan 0.000 0.447 274 Y N 1.974 122.277 120.300 0.005 0.000 2.993 274 Y HA 0.194 4.745 4.550 0.002 0.000 0.340 274 Y C 1.245 177.168 175.900 0.038 0.000 1.273 274 Y CA 0.648 58.758 58.100 0.017 0.000 1.545 274 Y CB 0.389 38.851 38.460 0.004 0.000 1.275 274 Y HN 0.190 nan 8.280 nan 0.000 0.617 275 R N 4.222 124.851 120.500 0.215 0.000 2.207 275 R HA 0.467 4.808 4.340 0.001 0.000 0.334 275 R C -1.145 175.348 176.300 0.321 0.000 1.013 275 R CA -0.642 55.578 56.100 0.200 0.000 0.858 275 R CB -0.012 30.358 30.300 0.117 0.000 1.094 275 R HN 0.644 nan 8.270 nan 0.000 0.457 276 I N 0.175 120.886 120.570 0.234 0.000 3.100 276 I HA 0.579 4.750 4.170 0.001 0.000 0.312 276 I C -0.332 175.934 176.117 0.248 0.000 1.063 276 I CA -0.748 60.678 61.300 0.210 0.000 1.031 276 I CB 1.798 39.848 38.000 0.083 0.000 1.243 276 I HN 0.319 nan 8.210 nan 0.000 0.483 277 T N 0.442 115.112 114.554 0.193 0.000 2.829 277 T HA 0.234 4.585 4.350 0.001 0.000 0.280 277 T C -0.411 174.316 174.700 0.045 0.000 0.999 277 T CA -0.376 61.818 62.100 0.157 0.000 0.983 277 T CB 1.132 70.113 68.868 0.188 0.000 0.968 277 T HN 0.700 nan 8.240 nan 0.000 0.446 278 D N 2.637 123.056 120.400 0.032 0.000 2.551 278 D HA -0.038 4.602 4.640 0.001 0.000 0.248 278 D C 0.228 176.508 176.300 -0.032 0.000 1.238 278 D CA 0.381 54.382 54.000 0.000 0.000 1.236 278 D CB 0.047 40.855 40.800 0.013 0.000 1.133 278 D HN 0.427 nan 8.370 nan 0.000 0.504 279 S N 2.696 118.333 115.700 -0.104 0.000 2.601 279 S HA 0.330 4.801 4.470 0.001 0.000 0.271 279 S C 0.683 175.176 174.600 -0.178 0.000 1.305 279 S CA -0.481 57.583 58.200 -0.226 0.000 1.022 279 S CB 0.950 63.881 63.200 -0.449 0.000 0.940 279 S HN 0.389 nan 8.310 nan 0.000 0.525 280 R N 2.163 122.557 120.500 -0.178 0.000 2.637 280 R HA 0.284 4.624 4.340 0.001 0.000 0.446 280 R C 0.491 176.794 176.300 0.006 0.000 1.024 280 R CA 0.000 56.100 56.100 -0.001 0.000 1.080 280 R CB 0.366 30.837 30.300 0.285 0.000 1.421 280 R HN 0.726 nan 8.270 nan 0.000 0.593 281 G N 0.656 109.287 108.800 -0.282 0.000 3.175 281 G HA2 0.133 4.094 3.960 0.001 0.000 0.153 281 G HA3 0.133 4.094 3.960 0.001 0.000 0.153 281 G C -0.098 174.571 174.900 -0.385 0.000 1.216 281 G CA -0.467 44.478 45.100 -0.257 0.000 0.943 281 G HN 0.255 nan 8.290 nan 0.000 0.611 282 N N -0.868 117.534 118.700 -0.496 0.000 2.610 282 N HA 0.431 5.172 4.740 0.001 0.000 0.309 282 N C -0.733 174.738 175.510 -0.065 0.000 1.536 282 N CA -0.642 52.069 53.050 -0.566 0.000 0.954 282 N CB 0.240 37.967 38.487 -1.268 0.000 1.310 282 N HN 0.415 nan 8.380 nan 0.000 0.502 283 F N -2.417 117.331 119.950 -0.336 0.000 2.773 283 F HA 0.770 5.298 4.527 0.001 0.000 0.314 283 F C -1.209 174.498 175.800 -0.156 0.000 1.160 283 F CA -1.821 56.043 58.000 -0.227 0.000 0.920 283 F CB 0.362 39.231 39.000 -0.218 0.000 1.323 283 F HN -0.074 nan 8.300 nan 0.000 0.457 284 V N -0.669 119.226 119.914 -0.033 0.000 2.864 284 V HA 0.815 4.935 4.120 0.001 0.000 0.314 284 V C -1.789 174.337 176.094 0.052 0.000 1.073 284 V CA -0.940 61.307 62.300 -0.088 0.000 0.956 284 V CB 2.057 33.820 31.823 -0.100 0.000 1.023 284 V HN 0.993 nan 8.190 nan 0.000 0.435 285 F N 2.613 122.468 119.950 -0.159 0.000 2.536 285 F HA 0.837 5.364 4.527 0.000 0.000 0.322 285 F C -0.632 174.994 175.800 -0.290 0.000 1.144 285 F CA -0.485 57.397 58.000 -0.198 0.000 0.924 285 F CB 1.917 40.789 39.000 -0.213 0.000 1.181 285 F HN 0.546 nan 8.300 nan 0.000 0.438 286 V N 5.523 124.918 119.914 -0.866 0.000 2.919 286 V HA 0.521 4.642 4.120 0.001 0.000 0.316 286 V C -0.490 175.067 176.094 -0.895 0.000 1.077 286 V CA -0.830 61.125 62.300 -0.575 0.000 0.977 286 V CB 1.973 33.664 31.823 -0.220 0.000 1.039 286 V HN 0.614 nan 8.190 nan 0.000 0.441 290 K N 0.324 120.726 120.400 0.002 0.000 2.458 290 K HA -0.322 3.999 4.320 0.001 0.000 0.146 290 K C 0.541 177.158 176.600 0.028 0.000 1.423 290 K CA 2.002 58.299 56.287 0.016 0.000 0.757 290 K CB -1.329 31.178 32.500 0.011 0.000 0.547 290 K HN 0.510 nan 8.250 nan 0.000 1.002 291 E N 1.291 121.506 120.200 0.026 0.000 2.445 291 E HA -0.054 4.297 4.350 0.001 0.000 0.189 291 E C 1.220 177.835 176.600 0.025 0.000 1.069 291 E CA 0.737 57.155 56.400 0.029 0.000 0.871 291 E CB 0.013 29.728 29.700 0.026 0.000 0.991 291 E HN 0.560 nan 8.360 nan 0.000 0.481 292 E N 0.888 121.101 120.200 0.021 0.000 2.474 292 E HA -0.056 4.295 4.350 0.001 0.000 0.194 292 E C 1.840 178.457 176.600 0.028 0.000 1.041 292 E CA 0.225 56.637 56.400 0.020 0.000 0.874 292 E CB 0.129 29.837 29.700 0.013 0.000 0.914 292 E HN -0.006 nan 8.360 nan 0.000 0.498 293 K N 1.556 121.974 120.400 0.030 0.000 2.067 293 K HA -0.129 4.191 4.320 0.001 0.000 0.203 293 K C 1.894 178.519 176.600 0.041 0.000 1.048 293 K CA 1.365 57.671 56.287 0.032 0.000 0.954 293 K CB 0.179 32.699 32.500 0.034 0.000 0.737 293 K HN 0.150 nan 8.250 nan 0.000 0.444 294 E N -0.054 120.174 120.200 0.046 0.000 2.285 294 E HA -0.133 4.218 4.350 0.001 0.000 0.194 294 E C 1.909 178.535 176.600 0.044 0.000 0.997 294 E CA 0.578 57.006 56.400 0.047 0.000 0.845 294 E CB -0.050 29.678 29.700 0.048 0.000 0.782 294 E HN 0.066 nan 8.360 nan 0.000 0.491 295 R N 0.932 121.457 120.500 0.041 0.000 2.092 295 R HA 0.100 4.440 4.340 0.001 0.000 0.231 295 R C 1.814 178.151 176.300 0.061 0.000 1.119 295 R CA 1.208 57.332 56.100 0.040 0.000 0.970 295 R CB -0.354 29.962 30.300 0.027 0.000 0.864 295 R HN 0.353 nan 8.270 nan 0.000 0.440 296 L N -0.160 121.102 121.223 0.064 0.000 2.418 296 L HA 0.042 4.382 4.340 0.001 0.000 0.218 296 L C 1.797 178.714 176.870 0.078 0.000 1.125 296 L CA 0.108 55.004 54.840 0.092 0.000 0.835 296 L CB -0.285 41.815 42.059 0.068 0.000 0.953 296 L HN 0.181 nan 8.230 nan 0.000 0.454 297 L N 0.246 121.501 121.223 0.053 0.000 2.240 297 L HA -0.096 4.245 4.340 0.001 0.000 0.211 297 L C 2.330 179.225 176.870 0.041 0.000 1.106 297 L CA 1.487 56.348 54.840 0.035 0.000 0.793 297 L CB -0.240 41.838 42.059 0.033 0.000 0.927 297 L HN 0.128 nan 8.230 nan 0.000 0.446 298 E N -1.425 118.812 120.200 0.062 0.000 2.152 298 E HA -0.255 4.096 4.350 0.001 0.000 0.192 298 E C 2.112 178.773 176.600 0.103 0.000 0.983 298 E CA 1.306 57.746 56.400 0.066 0.000 0.818 298 E CB -0.158 29.579 29.700 0.062 0.000 0.758 298 E HN 0.674 nan 8.360 nan 0.000 0.467 299 H N -0.277 118.797 119.070 0.006 0.000 2.355 299 H HA 0.165 4.722 4.556 0.001 0.000 0.303 299 H C 1.730 177.058 175.328 0.001 0.000 1.061 299 H CA 1.545 57.596 56.048 0.005 0.000 1.368 299 H CB -0.161 29.604 29.762 0.006 0.000 1.412 299 H HN 0.181 nan 8.280 nan 0.000 0.523 300 L N -0.117 121.046 121.223 -0.099 0.000 2.291 300 L HA -0.021 4.319 4.340 0.001 0.000 0.214 300 L C 2.631 179.444 176.870 -0.094 0.000 1.120 300 L CA 0.842 55.588 54.840 -0.157 0.000 0.799 300 L CB -0.256 41.753 42.059 -0.083 0.000 0.925 300 L HN 0.222 nan 8.230 nan 0.000 0.446 301 R N -0.379 120.097 120.500 -0.041 0.000 2.115 301 R HA -0.131 4.209 4.340 0.001 0.000 0.230 301 R C 1.805 178.091 176.300 -0.023 0.000 1.111 301 R CA 1.335 57.425 56.100 -0.017 0.000 0.976 301 R CB -0.050 30.255 30.300 0.008 0.000 0.870 301 R HN 0.037 nan 8.270 nan 0.000 0.445 302 T N -0.070 114.462 114.554 -0.035 0.000 3.366 302 T HA 0.147 4.498 4.350 0.001 0.000 0.249 302 T C 0.497 175.160 174.700 -0.062 0.000 1.028 302 T CA 0.298 62.382 62.100 -0.027 0.000 0.938 302 T CB 0.003 68.878 68.868 0.012 0.000 1.046 302 T HN 0.262 nan 8.240 nan 0.000 0.587 303 K N 0.072 120.426 120.400 -0.077 0.000 2.491 303 K HA 0.241 4.562 4.320 0.001 0.000 0.211 303 K C 0.545 177.124 176.600 -0.036 0.000 1.210 303 K CA -0.031 56.209 56.287 -0.077 0.000 1.003 303 K CB 0.583 33.008 32.500 -0.124 0.000 1.009 303 K HN 0.114 nan 8.250 nan 0.000 0.577 304 N N 0.121 118.808 118.700 -0.021 0.000 2.936 304 N HA -0.148 4.592 4.740 0.001 0.000 0.236 304 N C -0.399 175.125 175.510 0.023 0.000 0.930 304 N CA 1.142 54.194 53.050 0.003 0.000 0.966 304 N CB -1.546 36.944 38.487 0.006 0.000 1.090 304 N HN 0.191 nan 8.380 nan 0.000 0.592 305 V N -2.408 117.509 119.914 0.005 0.000 2.567 305 V HA 0.889 5.010 4.120 0.001 0.000 0.289 305 V C 0.843 176.940 176.094 0.006 0.000 1.049 305 V CA -0.652 61.659 62.300 0.018 0.000 0.969 305 V CB 1.685 33.493 31.823 -0.025 0.000 0.995 305 V HN 0.270 nan 8.190 nan 0.000 0.471 306 A N 3.991 126.821 122.820 0.016 0.000 2.257 306 A HA 0.893 5.213 4.320 0.001 0.000 0.289 306 A C 0.322 177.812 177.584 -0.156 0.000 1.095 306 A CA 0.085 52.096 52.037 -0.043 0.000 0.836 306 A CB 1.249 20.264 19.000 0.025 0.000 1.111 306 A HN 2.021 nan 8.150 nan 0.000 0.497 307 V N -1.607 118.233 119.914 -0.123 0.000 4.781 307 V HA 0.951 5.072 4.120 0.001 0.000 0.288 307 V C 0.176 176.198 176.094 -0.120 0.000 1.442 307 V CA -0.513 61.714 62.300 -0.121 0.000 0.846 307 V CB 0.645 32.430 31.823 -0.064 0.000 1.330 307 V HN 1.105 nan 8.190 nan 0.000 0.450 308 R N -1.283 119.176 120.500 -0.069 0.000 3.712 308 R HA 0.593 4.934 4.340 0.001 0.000 0.250 308 R C 0.200 176.514 176.300 0.024 0.000 1.123 308 R CA 0.206 56.284 56.100 -0.037 0.000 0.904 308 R CB 0.397 30.669 30.300 -0.046 0.000 1.585 308 R HN 0.942 nan 8.270 nan 0.000 0.418 309 S N 0.027 115.765 115.700 0.063 0.000 2.549 309 S HA -0.148 4.322 4.470 0.001 0.000 0.299 309 S C 0.365 175.065 174.600 0.167 0.000 1.280 309 S CA 1.202 59.478 58.200 0.128 0.000 1.029 309 S CB -0.157 63.155 63.200 0.187 0.000 0.729 309 S HN 0.400 nan 8.310 nan 0.000 0.466 310 F N 2.113 122.093 119.950 0.048 0.000 2.637 310 F HA 0.397 4.925 4.527 0.001 0.000 0.284 310 F C 1.549 177.391 175.800 0.069 0.000 1.105 310 F CA 0.084 58.111 58.000 0.045 0.000 1.356 310 F CB -0.216 38.806 39.000 0.036 0.000 1.096 310 F HN 0.423 nan 8.300 nan 0.000 0.616 311 R N 1.167 121.549 120.500 -0.197 0.000 1.633 311 R HA 0.051 4.391 4.340 0.001 0.000 0.129 311 R C 2.181 178.423 176.300 -0.096 0.000 0.840 311 R CA 1.665 57.603 56.100 -0.269 0.000 1.694 311 R CB -0.865 29.426 30.300 -0.016 0.000 0.620 311 R HN 0.028 nan 8.270 nan 0.000 0.667 312 E N -0.188 120.077 120.200 0.108 0.000 2.160 312 E HA 0.019 4.370 4.350 0.001 0.000 0.195 312 E C 0.444 177.151 176.600 0.178 0.000 0.991 312 E CA 1.448 58.005 56.400 0.262 0.000 0.810 312 E CB -0.202 29.776 29.700 0.463 0.000 0.742 312 E HN 0.544 nan 8.360 nan 0.000 0.466 313 G N -0.803 108.020 108.800 0.038 0.000 2.321 313 G HA2 0.246 4.207 3.960 0.001 0.000 0.298 313 G HA3 0.246 4.207 3.960 0.001 0.000 0.298 313 G C -0.729 173.922 174.900 -0.415 0.000 1.385 313 G CA -0.437 44.466 45.100 -0.329 0.000 0.856 313 G HN 0.122 nan 8.290 nan 0.000 0.584 314 V N -1.422 118.240 119.914 -0.419 0.000 2.811 314 V HA 0.807 4.928 4.120 0.001 0.000 0.302 314 V C 0.388 176.271 176.094 -0.352 0.000 1.063 314 V CA -0.712 61.425 62.300 -0.272 0.000 1.088 314 V CB 1.529 33.242 31.823 -0.184 0.000 0.982 314 V HN 0.901 nan 8.190 nan 0.000 0.485 315 R N 3.249 123.699 120.500 -0.083 0.000 2.360 315 R HA 0.586 4.927 4.340 0.001 0.000 0.318 315 R C -1.648 174.647 176.300 -0.007 0.000 0.950 315 R CA -0.732 55.411 56.100 0.073 0.000 0.837 315 R CB 1.266 31.709 30.300 0.239 0.000 1.165 315 R HN 0.802 nan 8.270 nan 0.000 0.458 316 I N 2.777 123.344 120.570 -0.004 0.000 2.377 316 I HA 0.270 4.441 4.170 0.001 0.000 0.293 316 I C 0.463 176.590 176.117 0.016 0.000 0.987 316 I CA -0.180 61.093 61.300 -0.045 0.000 1.185 316 I CB 2.021 39.969 38.000 -0.087 0.000 1.341 316 I HN 0.397 nan 8.210 nan 0.000 0.455 317 T N 6.320 120.855 114.554 -0.031 0.000 2.875 317 T HA 0.427 4.778 4.350 0.001 0.000 0.284 317 T C 0.232 174.907 174.700 -0.041 0.000 0.995 317 T CA -0.390 61.706 62.100 -0.007 0.000 1.060 317 T CB 0.724 69.558 68.868 -0.055 0.000 0.967 317 T HN 0.117 nan 8.240 nan 0.000 0.476 318 I N 4.095 124.632 120.570 -0.054 0.000 2.705 318 I HA 0.184 4.355 4.170 0.001 0.000 0.291 318 I C 1.255 177.331 176.117 -0.068 0.000 1.146 318 I CA 0.248 61.497 61.300 -0.085 0.000 1.383 318 I CB -0.814 37.111 38.000 -0.125 0.000 1.454 318 I HN 0.784 nan 8.210 nan 0.000 0.581 319 G N 6.125 114.890 108.800 -0.059 0.000 2.666 319 G HA2 0.313 4.274 3.960 0.001 0.000 0.207 319 G HA3 0.313 4.274 3.960 0.001 0.000 0.207 319 G C 0.223 175.099 174.900 -0.042 0.000 1.481 319 G CA -0.610 44.456 45.100 -0.057 0.000 1.071 319 G HN 0.428 nan 8.290 nan 0.000 0.572 320 K N -0.872 119.507 120.400 -0.035 0.000 2.117 320 K HA 0.256 4.577 4.320 0.001 0.000 0.240 320 K C 1.592 178.269 176.600 0.129 0.000 1.031 320 K CA -0.691 55.629 56.287 0.055 0.000 0.909 320 K CB 0.890 33.392 32.500 0.003 0.000 1.097 320 K HN 0.297 nan 8.250 nan 0.000 0.492 321 R N 1.684 122.322 120.500 0.230 0.000 2.113 321 R HA -0.190 4.151 4.340 0.001 0.000 0.231 321 R C 0.964 177.316 176.300 0.087 0.000 1.129 321 R CA 2.066 58.276 56.100 0.183 0.000 0.915 321 R CB -0.571 29.854 30.300 0.209 0.000 0.837 321 R HN 0.668 nan 8.270 nan 0.000 0.430 322 E N 0.196 120.439 120.200 0.071 0.000 2.533 322 E HA -0.101 4.249 4.350 0.001 0.000 0.201 322 E C 1.284 177.899 176.600 0.025 0.000 1.097 322 E CA 0.247 56.671 56.400 0.041 0.000 0.887 322 E CB 0.151 29.873 29.700 0.037 0.000 0.855 322 E HN 0.383 nan 8.360 nan 0.000 0.540 323 E N 0.477 120.691 120.200 0.024 0.000 2.079 323 E HA -0.008 4.343 4.350 0.001 0.000 0.191 323 E C 1.556 178.150 176.600 -0.010 0.000 0.961 323 E CA 0.267 56.670 56.400 0.005 0.000 0.823 323 E CB -0.099 29.600 29.700 -0.001 0.000 0.789 323 E HN 0.231 nan 8.360 nan 0.000 0.459 324 N N 1.951 120.645 118.700 -0.010 0.000 2.334 324 N HA -0.109 4.631 4.740 0.001 0.000 0.187 324 N C 0.402 175.894 175.510 -0.031 0.000 1.016 324 N CA 0.757 53.789 53.050 -0.030 0.000 0.879 324 N CB -0.188 38.280 38.487 -0.031 0.000 0.965 324 N HN 0.239 nan 8.380 nan 0.000 0.438 328 L N -0.402 120.768 121.223 -0.088 0.000 2.663 328 L HA 0.559 4.900 4.340 0.001 0.000 0.218 328 L C 2.153 178.993 176.870 -0.049 0.000 1.043 328 L CA 0.551 55.334 54.840 -0.095 0.000 0.876 328 L CB -1.002 41.007 42.059 -0.083 0.000 1.263 328 L HN 0.092 nan 8.230 nan 0.000 0.486 329 R N 1.093 121.577 120.500 -0.025 0.000 2.089 329 R HA -0.088 4.253 4.340 0.001 0.000 0.222 329 R C 1.437 177.749 176.300 0.020 0.000 1.151 329 R CA 1.678 57.778 56.100 -0.001 0.000 0.908 329 R CB -0.312 29.990 30.300 0.003 0.000 0.813 329 R HN 0.487 nan 8.270 nan 0.000 0.440 330 E N 0.482 120.698 120.200 0.026 0.000 2.506 330 E HA -0.079 4.271 4.350 0.001 0.000 0.210 330 E C 0.717 177.390 176.600 0.122 0.000 1.325 330 E CA -0.028 56.422 56.400 0.084 0.000 1.273 330 E CB -0.106 29.619 29.700 0.042 0.000 1.276 330 E HN 0.369 nan 8.360 nan 0.000 0.442 331 L N -1.235 120.026 121.223 0.063 0.000 2.923 331 L HA 0.434 4.775 4.340 0.001 0.000 0.161 331 L C 0.086 176.989 176.870 0.056 0.000 1.202 331 L CA 0.673 55.541 54.840 0.047 0.000 0.920 331 L CB 0.524 42.544 42.059 -0.064 0.000 1.773 331 L HN 0.077 nan 8.230 nan 0.000 0.532 332 E N 0.000 120.210 120.200 0.016 0.000 2.725 332 E HA 0.000 4.351 4.350 0.001 0.000 0.291 332 E CA 0.000 nan 56.400 nan 0.000 0.976 332 E CB 0.000 nan 29.700 nan 0.000 0.812 332 E HN 0.000 nan 8.360 nan 0.000 0.440