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 2b8w_1_B DATA FIRST_RESID 6 DATA SEQUENCE HMTGPMCLIE NTNGRLMANP EALKILSAIT QPMVVVAIVG LYRTGKSYLM DATA SEQUENCE NKLAGKKKGF SLGSTVQSHT KGIWMWCVPH PKKPGHILVL LDTEGLGDVE DATA SEQUENCE KGDNQNDSWI FALAVLLSST FVYNSIGTIN QQAMDQLYYV TELTHRIRSK DATA SEQUENCE SSXXXXXXXX XXXXXXVSFF PDFVWTLRDF SLDLEADGQP LTPDEYLTYS DATA SEQUENCE LKLKKGTSQK DETFNLPRLC IRKFFPKKKC FVFDRPVHRR KLAQLEKLQD DATA SEQUENCE EELDPEFVQQ VADFCSYIFS NSKTKTLSGG IQVNGPRLES LVLTYVNAIS DATA SEQUENCE SGDL 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 H HA 0.000 nan 4.556 nan 0.000 0.296 6 H C 0.000 175.374 175.328 0.077 0.000 0.993 6 H CA 0.000 56.078 56.048 0.051 0.000 1.023 6 H CB 0.000 29.786 29.762 0.040 0.000 1.292 7 M N 3.419 123.225 119.600 0.344 0.000 2.201 7 M HA 0.110 4.590 4.480 -0.000 0.000 0.345 7 M C 1.158 177.660 176.300 0.336 0.000 1.352 7 M CA 0.332 55.810 55.300 0.296 0.000 1.218 7 M CB 0.538 33.346 32.600 0.347 0.000 1.512 7 M HN 0.497 nan 8.290 nan 0.000 0.447 8 T N 1.334 116.007 114.554 0.198 0.000 3.043 8 T HA 0.316 4.666 4.350 -0.000 0.000 0.263 8 T C 0.581 175.352 174.700 0.117 0.000 1.094 8 T CA 0.790 62.995 62.100 0.175 0.000 1.127 8 T CB 0.107 69.024 68.868 0.080 0.000 0.905 8 T HN 0.742 nan 8.240 nan 0.000 0.490 9 G N 0.633 109.376 108.800 -0.095 0.000 2.649 9 G HA2 0.595 4.555 3.960 -0.000 0.000 0.290 9 G HA3 0.595 4.555 3.960 -0.000 0.000 0.290 9 G C -3.328 171.022 174.900 -0.917 0.000 1.426 9 G CA -1.357 43.326 45.100 -0.694 0.000 0.794 9 G HN -0.015 nan 8.290 nan 0.000 0.483 10 P HA 0.384 nan 4.420 nan 0.000 0.271 10 P C -0.363 176.929 177.300 -0.014 0.000 1.244 10 P CA -0.136 62.602 63.100 -0.602 0.000 0.793 10 P CB 0.653 32.013 31.700 -0.567 0.000 0.984 11 M N 0.492 120.170 119.600 0.130 0.000 2.421 11 M HA 0.295 4.775 4.480 -0.000 0.000 0.287 11 M C -1.134 174.895 176.300 -0.452 0.000 1.183 11 M CA -0.937 54.307 55.300 -0.093 0.000 0.916 11 M CB 1.612 34.166 32.600 -0.077 0.000 1.701 11 M HN 0.340 nan 8.290 nan 0.000 0.470 12 C N 4.493 123.068 119.300 -1.209 0.000 2.590 12 C HA 0.095 4.555 4.460 -0.000 0.000 0.411 12 C C 1.311 175.999 174.990 -0.504 0.000 1.420 12 C CA -0.073 58.179 59.018 -1.277 0.000 1.643 12 C CB -0.594 26.461 27.740 -1.142 0.000 2.528 12 C HN 0.913 nan 8.230 nan 0.000 0.606 13 L N 7.224 128.259 121.223 -0.314 0.000 2.262 13 L HA 0.488 4.828 4.340 -0.000 0.000 0.197 13 L C 0.516 177.331 176.870 -0.092 0.000 1.073 13 L CA 1.519 56.288 54.840 -0.117 0.000 0.800 13 L CB -0.068 41.993 42.059 0.003 0.000 0.987 13 L HN 0.601 nan 8.230 nan 0.000 0.470 14 I N 1.491 122.016 120.570 -0.075 0.000 2.382 14 I HA 0.285 4.455 4.170 -0.000 0.000 0.285 14 I C -0.278 175.809 176.117 -0.050 0.000 1.007 14 I CA -0.441 60.839 61.300 -0.033 0.000 1.142 14 I CB 0.966 38.985 38.000 0.032 0.000 1.289 14 I HN 0.264 nan 8.210 nan 0.000 0.453 15 E N 4.472 124.638 120.200 -0.058 0.000 2.373 15 E HA 0.171 4.521 4.350 -0.000 0.000 0.263 15 E C -0.122 176.483 176.600 0.008 0.000 1.073 15 E CA -0.255 56.120 56.400 -0.040 0.000 0.894 15 E CB 0.983 30.654 29.700 -0.048 0.000 1.008 15 E HN 0.329 nan 8.360 nan 0.000 0.420 16 N N 1.317 120.037 118.700 0.033 0.000 2.664 16 N HA 0.167 4.906 4.740 -0.000 0.000 0.257 16 N C -1.936 173.602 175.510 0.046 0.000 1.108 16 N CA -0.311 52.770 53.050 0.052 0.000 0.822 16 N CB 1.232 39.767 38.487 0.080 0.000 1.199 16 N HN 0.243 nan 8.380 nan 0.000 0.529 17 T N 2.441 117.016 114.554 0.035 0.000 2.963 17 T HA 0.373 4.723 4.350 -0.000 0.000 0.328 17 T C -0.075 174.642 174.700 0.029 0.000 1.048 17 T CA -0.569 61.548 62.100 0.028 0.000 1.033 17 T CB -0.058 68.820 68.868 0.017 0.000 1.010 17 T HN 0.641 nan 8.240 nan 0.000 0.469 18 N N 2.033 120.752 118.700 0.032 0.000 2.776 18 N HA -0.236 4.504 4.740 -0.000 0.000 0.249 18 N C 1.064 176.598 175.510 0.041 0.000 1.111 18 N CA 0.615 53.684 53.050 0.031 0.000 0.711 18 N CB -0.964 37.537 38.487 0.024 0.000 1.065 18 N HN 1.121 nan 8.380 nan 0.000 0.556 19 G N -0.960 107.873 108.800 0.055 0.000 2.234 19 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.235 19 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.235 19 G C 0.099 175.046 174.900 0.078 0.000 0.997 19 G CA 0.297 45.444 45.100 0.078 0.000 0.623 19 G HN 0.279 nan 8.290 nan 0.000 0.514 20 R N 0.395 120.923 120.500 0.046 0.000 2.265 20 R HA 0.747 5.087 4.340 -0.000 0.000 0.319 20 R C 0.024 176.332 176.300 0.014 0.000 1.006 20 R CA -0.854 55.258 56.100 0.019 0.000 0.880 20 R CB 0.639 30.942 30.300 0.006 0.000 1.077 20 R HN 0.280 nan 8.270 nan 0.000 0.454 21 L N 4.057 125.272 121.223 -0.012 0.000 2.272 21 L HA 0.532 4.872 4.340 -0.000 0.000 0.289 21 L C 0.114 176.966 176.870 -0.030 0.000 1.032 21 L CA -0.076 54.757 54.840 -0.011 0.000 0.810 21 L CB 1.136 43.184 42.059 -0.018 0.000 1.205 21 L HN 0.370 nan 8.230 nan 0.000 0.422 22 M N 2.832 122.420 119.600 -0.020 0.000 2.327 22 M HA 0.567 5.047 4.480 -0.000 0.000 0.298 22 M C -0.615 175.667 176.300 -0.029 0.000 1.065 22 M CA -0.590 54.693 55.300 -0.028 0.000 0.916 22 M CB 2.231 34.815 32.600 -0.027 0.000 1.630 22 M HN 0.662 nan 8.290 nan 0.000 0.442 23 A N 3.420 126.224 122.820 -0.027 0.000 2.450 23 A HA 0.239 4.559 4.320 -0.000 0.000 0.255 23 A C -0.184 177.374 177.584 -0.042 0.000 1.096 23 A CA -0.251 51.769 52.037 -0.028 0.000 0.778 23 A CB -0.010 18.979 19.000 -0.018 0.000 1.031 23 A HN 0.809 nan 8.150 nan 0.000 0.494 24 N N 3.590 122.254 118.700 -0.060 0.000 2.405 24 N HA 0.161 4.900 4.740 -0.000 0.000 0.260 24 N C -1.536 173.943 175.510 -0.052 0.000 1.152 24 N CA -2.142 50.865 53.050 -0.072 0.000 0.948 24 N CB 0.983 39.398 38.487 -0.120 0.000 1.111 24 N HN 0.275 nan 8.380 nan 0.000 0.485 25 P HA -0.184 nan 4.420 nan 0.000 0.217 25 P C 0.873 178.157 177.300 -0.028 0.000 1.148 25 P CA 1.163 64.245 63.100 -0.030 0.000 0.828 25 P CB 0.462 32.146 31.700 -0.027 0.000 0.783 26 E N 0.262 120.440 120.200 -0.036 0.000 2.106 26 E HA -0.132 4.218 4.350 -0.000 0.000 0.192 26 E C 2.060 178.645 176.600 -0.025 0.000 0.984 26 E CA 1.320 57.701 56.400 -0.031 0.000 0.806 26 E CB -0.732 28.943 29.700 -0.042 0.000 0.750 26 E HN 0.096 nan 8.360 nan 0.000 0.458 27 A N 0.817 123.614 122.820 -0.038 0.000 1.873 27 A HA -0.116 4.204 4.320 -0.000 0.000 0.215 27 A C 2.232 179.818 177.584 0.003 0.000 1.186 27 A CA 1.247 53.272 52.037 -0.020 0.000 0.616 27 A CB -0.735 18.239 19.000 -0.043 0.000 0.823 27 A HN 0.340 nan 8.150 nan 0.000 0.442 28 L N -0.852 120.368 121.223 -0.006 0.000 2.042 28 L HA -0.263 4.077 4.340 -0.000 0.000 0.210 28 L C 2.617 179.491 176.870 0.007 0.000 1.076 28 L CA 1.977 56.817 54.840 0.001 0.000 0.749 28 L CB -0.557 41.496 42.059 -0.009 0.000 0.893 28 L HN 0.373 nan 8.230 nan 0.000 0.432 29 K N 0.407 120.809 120.400 0.003 0.000 2.001 29 K HA -0.197 4.123 4.320 -0.000 0.000 0.214 29 K C 2.021 178.636 176.600 0.025 0.000 1.050 29 K CA 1.651 57.943 56.287 0.009 0.000 0.934 29 K CB -0.256 32.246 32.500 0.003 0.000 0.718 29 K HN 0.161 nan 8.250 nan 0.000 0.443 30 I N 0.979 121.570 120.570 0.034 0.000 2.194 30 I HA -0.339 3.831 4.170 -0.000 0.000 0.246 30 I C 2.150 178.307 176.117 0.067 0.000 1.093 30 I CA 1.275 62.613 61.300 0.064 0.000 1.355 30 I CB -0.246 37.799 38.000 0.075 0.000 1.046 30 I HN 0.193 nan 8.210 nan 0.000 0.413 31 L N 0.289 121.543 121.223 0.051 0.000 2.083 31 L HA -0.213 4.127 4.340 -0.000 0.000 0.209 31 L C 2.650 179.539 176.870 0.031 0.000 1.083 31 L CA 1.760 56.627 54.840 0.045 0.000 0.752 31 L CB -0.590 41.493 42.059 0.040 0.000 0.899 31 L HN 0.392 nan 8.230 nan 0.000 0.433 32 S N -0.588 115.126 115.700 0.024 0.000 2.603 32 S HA 0.010 4.480 4.470 -0.000 0.000 0.229 32 S C 1.614 176.225 174.600 0.019 0.000 0.972 32 S CA 0.603 58.811 58.200 0.014 0.000 0.935 32 S CB 0.037 63.241 63.200 0.007 0.000 0.769 32 S HN 0.338 nan 8.310 nan 0.000 0.536 33 A N 0.632 123.473 122.820 0.035 0.000 2.252 33 A HA 0.520 4.840 4.320 -0.000 0.000 0.213 33 A C 0.659 178.264 177.584 0.035 0.000 1.188 33 A CA -0.285 51.780 52.037 0.046 0.000 0.863 33 A CB -0.054 18.995 19.000 0.081 0.000 0.893 33 A HN 0.573 nan 8.150 nan 0.000 0.495 34 I N 1.610 122.192 120.570 0.019 0.000 2.297 34 I HA 0.130 4.300 4.170 -0.000 0.000 0.291 34 I C 1.355 177.460 176.117 -0.020 0.000 1.033 34 I CA -0.021 61.269 61.300 -0.016 0.000 1.253 34 I CB 1.605 39.594 38.000 -0.018 0.000 1.396 34 I HN 0.266 nan 8.210 nan 0.000 0.476 35 T N 0.845 115.380 114.554 -0.033 0.000 3.044 35 T HA 0.141 4.490 4.350 -0.000 0.000 0.250 35 T C 0.726 175.394 174.700 -0.053 0.000 1.081 35 T CA -0.190 61.889 62.100 -0.035 0.000 1.040 35 T CB -0.043 68.806 68.868 -0.031 0.000 0.962 35 T HN 0.464 nan 8.240 nan 0.000 0.506 36 Q N 2.979 122.739 119.800 -0.066 0.000 2.394 36 Q HA 0.346 4.686 4.340 -0.000 0.000 0.248 36 Q C -2.454 173.491 176.000 -0.091 0.000 0.992 36 Q CA -1.862 53.882 55.803 -0.098 0.000 0.888 36 Q CB 0.316 28.995 28.738 -0.099 0.000 1.257 36 Q HN 0.250 nan 8.270 nan 0.000 0.462 37 P HA -0.012 nan 4.420 nan 0.000 0.272 37 P C -1.017 176.284 177.300 0.002 0.000 1.223 37 P CA 0.318 63.356 63.100 -0.102 0.000 0.784 37 P CB 0.660 32.233 31.700 -0.211 0.000 0.923 38 M N 1.318 120.965 119.600 0.079 0.000 2.321 38 M HA 0.301 4.781 4.480 -0.000 0.000 0.315 38 M C -0.708 175.697 176.300 0.175 0.000 1.052 38 M CA -1.001 54.375 55.300 0.127 0.000 0.936 38 M CB 2.365 35.024 32.600 0.099 0.000 1.639 38 M HN -0.023 nan 8.290 nan 0.000 0.433 39 V N 4.333 124.372 119.914 0.209 0.000 2.364 39 V HA 0.342 4.462 4.120 -0.000 0.000 0.272 39 V C -0.358 175.834 176.094 0.164 0.000 1.036 39 V CA -0.666 61.752 62.300 0.197 0.000 0.880 39 V CB 1.288 33.261 31.823 0.250 0.000 0.991 39 V HN 0.599 nan 8.190 nan 0.000 0.460 40 V N 6.143 126.156 119.914 0.165 0.000 2.334 40 V HA 0.406 4.526 4.120 -0.000 0.000 0.281 40 V C -0.126 176.074 176.094 0.176 0.000 1.016 40 V CA -0.548 61.854 62.300 0.170 0.000 0.832 40 V CB 1.648 33.581 31.823 0.183 0.000 0.999 40 V HN 0.582 nan 8.190 nan 0.000 0.439 41 V N 4.687 124.693 119.914 0.154 0.000 2.334 41 V HA 0.759 4.879 4.120 -0.000 0.000 0.281 41 V C 0.464 176.631 176.094 0.123 0.000 1.016 41 V CA -0.380 61.998 62.300 0.130 0.000 0.832 41 V CB 1.387 33.257 31.823 0.078 0.000 0.999 41 V HN 0.950 nan 8.190 nan 0.000 0.439 42 A N 5.634 128.537 122.820 0.138 0.000 2.325 42 A HA 0.914 5.234 4.320 -0.000 0.000 0.333 42 A C -0.778 176.750 177.584 -0.093 0.000 1.155 42 A CA -0.594 51.505 52.037 0.103 0.000 0.814 42 A CB 1.204 20.362 19.000 0.262 0.000 1.206 42 A HN 0.846 nan 8.150 nan 0.000 0.482 43 I N 2.252 122.719 120.570 -0.171 0.000 2.498 43 I HA 0.660 4.830 4.170 -0.000 0.000 0.290 43 I C -0.859 175.030 176.117 -0.379 0.000 1.032 43 I CA -0.765 60.314 61.300 -0.369 0.000 1.073 43 I CB 1.797 39.610 38.000 -0.312 0.000 1.251 43 I HN 0.687 nan 8.210 nan 0.000 0.426 44 V N 5.581 125.131 119.914 -0.607 0.000 3.078 44 V HA 1.102 5.222 4.120 -0.000 0.000 0.311 44 V C -0.596 174.951 176.094 -0.913 0.000 1.138 44 V CA 0.294 62.248 62.300 -0.575 0.000 1.007 44 V CB 1.612 33.160 31.823 -0.459 0.000 1.045 44 V HN 1.016 nan 8.190 nan 0.000 0.432 45 G N 2.134 110.511 108.800 -0.705 0.000 2.342 45 G HA2 0.389 4.349 3.960 -0.000 0.000 0.297 45 G HA3 0.389 4.349 3.960 -0.000 0.000 0.297 45 G C -1.365 173.379 174.900 -0.259 0.000 1.313 45 G CA -0.871 43.781 45.100 -0.747 0.000 0.830 45 G HN 1.049 nan 8.290 nan 0.000 0.506 46 L N 0.830 121.999 121.223 -0.091 0.000 2.483 46 L HA 0.231 4.571 4.340 -0.000 0.000 0.275 46 L C 0.949 177.887 176.870 0.113 0.000 1.220 46 L CA -0.588 54.301 54.840 0.081 0.000 0.833 46 L CB 0.362 42.508 42.059 0.146 0.000 1.102 46 L HN 0.751 nan 8.230 nan 0.000 0.490 47 Y N 1.375 121.652 120.300 -0.040 0.000 2.480 47 Y HA 0.210 4.760 4.550 -0.000 0.000 0.338 47 Y C 0.573 176.450 175.900 -0.039 0.000 1.220 47 Y CA -1.308 56.767 58.100 -0.040 0.000 1.430 47 Y CB 0.489 38.940 38.460 -0.015 0.000 1.311 47 Y HN 0.570 nan 8.280 nan 0.000 0.575 48 R N 0.793 121.247 120.500 -0.077 0.000 3.532 48 R HA -0.152 4.188 4.340 -0.000 0.000 0.284 48 R C 0.117 176.325 176.300 -0.153 0.000 1.140 48 R CA 0.991 56.969 56.100 -0.203 0.000 0.768 48 R CB -2.906 27.143 30.300 -0.417 0.000 1.252 48 R HN 1.017 nan 8.270 nan 0.000 0.454 49 T N -4.068 110.422 114.554 -0.107 0.000 3.182 49 T HA 0.417 4.767 4.350 -0.000 0.000 0.277 49 T C 1.118 175.751 174.700 -0.112 0.000 1.013 49 T CA 0.581 62.621 62.100 -0.099 0.000 0.900 49 T CB 1.176 69.993 68.868 -0.085 0.000 1.098 49 T HN 0.807 nan 8.240 nan 0.000 0.543 50 G N 2.081 110.815 108.800 -0.110 0.000 2.136 50 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.242 50 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.242 50 G C 0.828 175.677 174.900 -0.086 0.000 0.989 50 G CA 0.429 45.477 45.100 -0.086 0.000 0.682 50 G HN 0.554 nan 8.290 nan 0.000 0.522 51 K N 0.308 120.627 120.400 -0.136 0.000 2.002 51 K HA -0.037 4.283 4.320 -0.000 0.000 0.209 51 K C 2.630 179.139 176.600 -0.151 0.000 1.048 51 K CA 1.633 57.806 56.287 -0.190 0.000 0.930 51 K CB -0.321 32.045 32.500 -0.223 0.000 0.714 51 K HN 0.302 nan 8.250 nan 0.000 0.438 52 S N 0.397 116.033 115.700 -0.107 0.000 2.399 52 S HA -0.169 4.301 4.470 -0.000 0.000 0.231 52 S C 1.725 176.366 174.600 0.068 0.000 1.022 52 S CA 1.079 59.230 58.200 -0.082 0.000 0.983 52 S CB -0.334 62.846 63.200 -0.034 0.000 0.803 52 S HN 0.308 nan 8.310 nan 0.000 0.480 53 Y N 1.703 121.970 120.300 -0.055 0.000 2.163 53 Y HA -0.053 4.497 4.550 -0.000 0.000 0.288 53 Y C 2.037 177.935 175.900 -0.004 0.000 1.136 53 Y CA 0.958 59.053 58.100 -0.008 0.000 1.147 53 Y CB -0.592 37.847 38.460 -0.035 0.000 0.987 53 Y HN 0.165 nan 8.280 nan 0.000 0.509 54 L N -0.321 120.841 121.223 -0.102 0.000 2.083 54 L HA -0.230 4.110 4.340 -0.000 0.000 0.209 54 L C 2.062 178.860 176.870 -0.120 0.000 1.083 54 L CA 1.719 56.407 54.840 -0.254 0.000 0.752 54 L CB -0.735 41.075 42.059 -0.416 0.000 0.899 54 L HN 0.229 nan 8.230 nan 0.000 0.433 55 M N -0.897 118.674 119.600 -0.049 0.000 2.213 55 M HA -0.145 4.335 4.480 -0.000 0.000 0.263 55 M C 1.915 178.376 176.300 0.268 0.000 1.062 55 M CA 1.139 56.488 55.300 0.082 0.000 1.105 55 M CB -1.513 31.033 32.600 -0.090 0.000 1.385 55 M HN 0.308 nan 8.290 nan 0.000 0.417 56 N N 0.572 119.426 118.700 0.257 0.000 2.244 56 N HA -0.109 4.631 4.740 -0.000 0.000 0.183 56 N C 1.550 177.103 175.510 0.071 0.000 1.016 56 N CA 0.859 54.067 53.050 0.264 0.000 0.866 56 N CB -0.182 38.435 38.487 0.216 0.000 0.980 56 N HN 0.271 nan 8.380 nan 0.000 0.430 57 K N 0.949 121.316 120.400 -0.055 0.000 2.097 57 K HA 0.006 4.326 4.320 -0.000 0.000 0.206 57 K C 2.080 178.689 176.600 0.016 0.000 1.049 57 K CA 0.452 56.695 56.287 -0.073 0.000 0.933 57 K CB -0.577 31.830 32.500 -0.155 0.000 0.717 57 K HN 0.270 nan 8.250 nan 0.000 0.442 58 L N 0.595 121.849 121.223 0.052 0.000 2.131 58 L HA -0.119 4.221 4.340 -0.000 0.000 0.210 58 L C 2.308 179.250 176.870 0.119 0.000 1.092 58 L CA 0.961 55.857 54.840 0.094 0.000 0.759 58 L CB -0.448 41.659 42.059 0.079 0.000 0.903 58 L HN 0.093 nan 8.230 nan 0.000 0.435 59 A N -0.581 122.230 122.820 -0.015 0.000 2.167 59 A HA 0.172 4.492 4.320 -0.000 0.000 0.214 59 A C 1.801 179.273 177.584 -0.186 0.000 1.151 59 A CA 0.838 52.715 52.037 -0.266 0.000 0.735 59 A CB -0.460 18.172 19.000 -0.613 0.000 0.802 59 A HN 0.511 nan 8.150 nan 0.000 0.467 60 G N -1.300 107.477 108.800 -0.038 0.000 2.153 60 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.252 60 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.252 60 G C 0.056 174.950 174.900 -0.010 0.000 0.994 60 G CA 0.840 45.931 45.100 -0.015 0.000 0.698 60 G HN 0.546 nan 8.290 nan 0.000 0.521 61 K N -0.027 120.381 120.400 0.013 0.000 2.259 61 K HA 0.598 4.918 4.320 -0.000 0.000 0.249 61 K C 0.144 176.799 176.600 0.092 0.000 0.942 61 K CA -0.825 55.510 56.287 0.080 0.000 0.816 61 K CB 0.941 33.555 32.500 0.190 0.000 1.155 61 K HN -0.036 nan 8.250 nan 0.000 0.428 62 K N 3.660 124.117 120.400 0.094 0.000 2.142 62 K HA 0.162 4.482 4.320 -0.000 0.000 0.250 62 K C -0.939 175.733 176.600 0.119 0.000 1.148 62 K CA -0.283 56.066 56.287 0.105 0.000 1.040 62 K CB -0.457 32.099 32.500 0.093 0.000 1.569 62 K HN 0.694 nan 8.250 nan 0.000 0.361 63 K N -1.354 119.132 120.400 0.144 0.000 10.544 63 K HA 0.010 4.330 4.320 -0.000 0.000 1.137 63 K C -0.318 176.352 176.600 0.117 0.000 2.183 63 K CA 0.523 56.878 56.287 0.113 0.000 0.920 63 K CB -1.137 31.402 32.500 0.064 0.000 1.450 63 K HN 0.529 nan 8.250 nan 0.000 0.436 64 G N 1.198 109.977 108.800 -0.035 0.000 2.033 64 G HA2 0.142 4.102 3.960 -0.000 0.000 0.088 64 G HA3 0.142 4.102 3.960 -0.000 0.000 0.088 64 G C -1.130 173.512 174.900 -0.430 0.000 0.790 64 G CA -0.403 44.476 45.100 -0.368 0.000 1.131 64 G HN 0.692 nan 8.290 nan 0.000 0.361 65 F N 3.397 123.275 119.950 -0.119 0.000 2.506 65 F HA 0.480 5.007 4.527 -0.000 0.000 0.371 65 F C 1.411 177.123 175.800 -0.146 0.000 1.078 65 F CA 0.272 58.172 58.000 -0.167 0.000 1.195 65 F CB 1.259 40.226 39.000 -0.056 0.000 1.099 65 F HN 0.354 nan 8.300 nan 0.000 0.548 66 S N 4.247 119.919 115.700 -0.047 0.000 2.584 66 S HA 0.420 4.890 4.470 -0.000 0.000 0.273 66 S C 0.661 175.221 174.600 -0.067 0.000 1.311 66 S CA -0.852 57.316 58.200 -0.053 0.000 1.034 66 S CB 1.127 64.302 63.200 -0.042 0.000 0.939 66 S HN 0.692 nan 8.310 nan 0.000 0.513 67 L N 1.979 123.080 121.223 -0.204 0.000 2.185 67 L HA 0.377 4.717 4.340 -0.000 0.000 0.198 67 L C 1.384 178.030 176.870 -0.374 0.000 1.079 67 L CA 0.463 55.186 54.840 -0.194 0.000 0.780 67 L CB -1.275 40.697 42.059 -0.146 0.000 0.955 67 L HN 1.113 nan 8.230 nan 0.000 0.462 68 G N 0.657 109.075 108.800 -0.636 0.000 3.137 68 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.686 68 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.686 68 G C 0.269 175.021 174.900 -0.248 0.000 0.988 68 G CA 0.056 44.816 45.100 -0.567 0.000 0.789 68 G HN 0.404 nan 8.290 nan 0.000 0.544 69 S N 0.369 115.961 115.700 -0.180 0.000 2.575 69 S HA 0.594 5.064 4.470 -0.000 0.000 0.237 69 S C 0.738 175.278 174.600 -0.100 0.000 0.975 69 S CA 0.795 58.913 58.200 -0.137 0.000 0.960 69 S CB 0.966 64.091 63.200 -0.124 0.000 0.822 69 S HN 1.015 nan 8.310 nan 0.000 0.472 70 T N 1.152 115.659 114.554 -0.079 0.000 2.907 70 T HA 0.420 4.770 4.350 -0.000 0.000 0.290 70 T C 1.232 175.899 174.700 -0.055 0.000 1.066 70 T CA -0.228 61.843 62.100 -0.049 0.000 1.012 70 T CB 1.798 70.657 68.868 -0.013 0.000 1.184 70 T HN 0.203 nan 8.240 nan 0.000 0.522 71 V N -0.151 119.735 119.914 -0.046 0.000 3.305 71 V HA 0.134 4.254 4.120 -0.000 0.000 0.269 71 V C 0.724 176.806 176.094 -0.021 0.000 1.157 71 V CA 0.861 63.121 62.300 -0.067 0.000 1.157 71 V CB -0.991 30.806 31.823 -0.043 0.000 0.772 71 V HN 0.667 nan 8.190 nan 0.000 0.498 72 Q N 2.081 121.904 119.800 0.039 0.000 2.299 72 Q HA 0.399 4.739 4.340 -0.000 0.000 0.246 72 Q C 0.583 176.677 176.000 0.158 0.000 0.935 72 Q CA 0.154 56.028 55.803 0.119 0.000 0.887 72 Q CB 1.375 30.171 28.738 0.097 0.000 1.223 72 Q HN 0.734 nan 8.270 nan 0.000 0.439 73 S N 0.378 116.239 115.700 0.268 0.000 2.563 73 S HA -0.063 4.407 4.470 -0.000 0.000 0.284 73 S C 0.071 174.769 174.600 0.163 0.000 1.331 73 S CA 0.036 58.393 58.200 0.261 0.000 1.047 73 S CB 0.837 64.166 63.200 0.215 0.000 0.859 73 S HN 0.829 nan 8.310 nan 0.000 0.514 74 H N 1.401 120.497 119.070 0.043 0.000 2.258 74 H HA 0.250 4.805 4.556 -0.000 0.000 0.250 74 H C 0.194 175.502 175.328 -0.033 0.000 0.908 74 H CA 0.797 56.841 56.048 -0.008 0.000 1.096 74 H CB 0.019 29.753 29.762 -0.046 0.000 1.422 74 H HN 0.667 nan 8.280 nan 0.000 0.469 75 T N 3.632 118.182 114.554 -0.007 0.000 2.799 75 T HA 0.211 4.561 4.350 -0.000 0.000 0.296 75 T C -0.443 174.280 174.700 0.038 0.000 0.947 75 T CA -0.246 61.809 62.100 -0.075 0.000 1.141 75 T CB 0.569 69.394 68.868 -0.073 0.000 0.891 75 T HN 0.112 nan 8.240 nan 0.000 0.533 76 K N 2.303 122.790 120.400 0.146 0.000 2.259 76 K HA 0.668 4.988 4.320 -0.000 0.000 0.249 76 K C 0.965 177.747 176.600 0.303 0.000 0.942 76 K CA -0.387 56.015 56.287 0.192 0.000 0.816 76 K CB 1.727 34.317 32.500 0.150 0.000 1.155 76 K HN 0.816 nan 8.250 nan 0.000 0.428 77 G N 2.203 111.119 108.800 0.193 0.000 2.574 77 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.282 77 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.282 77 G C -0.360 174.676 174.900 0.227 0.000 1.257 77 G CA -0.178 45.023 45.100 0.169 0.000 0.956 77 G HN 0.547 nan 8.290 nan 0.000 0.560 78 I N -0.564 120.112 120.570 0.177 0.000 2.436 78 I HA 0.469 4.639 4.170 -0.000 0.000 0.289 78 I C -0.769 175.457 176.117 0.182 0.000 1.010 78 I CA -0.473 60.956 61.300 0.215 0.000 1.098 78 I CB 1.724 39.817 38.000 0.155 0.000 1.266 78 I HN 0.445 nan 8.210 nan 0.000 0.434 79 W N 6.969 128.344 121.300 0.124 0.000 2.512 79 W HA 0.634 5.294 4.660 -0.000 0.000 0.335 79 W C 0.091 176.805 176.519 0.325 0.000 1.088 79 W CA -0.724 56.756 57.345 0.224 0.000 1.236 79 W CB 1.368 31.028 29.460 0.332 0.000 1.307 79 W HN 0.300 nan 8.180 nan 0.000 0.567 80 M N 2.106 121.987 119.600 0.468 0.000 2.598 80 M HA 0.688 5.168 4.480 -0.000 0.000 0.317 80 M C -1.756 174.849 176.300 0.508 0.000 1.179 80 M CA -0.555 55.017 55.300 0.454 0.000 0.936 80 M CB 2.910 35.669 32.600 0.263 0.000 1.713 80 M HN 0.525 nan 8.290 nan 0.000 0.460 81 W N 4.059 125.524 121.300 0.276 0.000 2.835 81 W HA 0.562 5.222 4.660 -0.000 0.000 0.326 81 W C -2.180 174.399 176.519 0.099 0.000 1.024 81 W CA -1.364 56.037 57.345 0.092 0.000 1.267 81 W CB 1.430 30.806 29.460 -0.139 0.000 1.267 81 W HN 0.861 nan 8.180 nan 0.000 0.412 82 C N 6.394 125.896 119.300 0.337 0.000 2.373 82 C HA 0.700 5.160 4.460 -0.000 0.000 0.354 82 C C 0.712 175.687 174.990 -0.024 0.000 1.249 82 C CA -0.585 58.507 59.018 0.124 0.000 1.784 82 C CB -1.168 26.648 27.740 0.126 0.000 2.408 82 C HN 0.360 nan 8.230 nan 0.000 0.542 83 V N 1.605 121.428 119.914 -0.151 0.000 3.040 83 V HA 0.714 4.834 4.120 -0.000 0.000 0.312 83 V C -3.039 172.963 176.094 -0.155 0.000 1.115 83 V CA -2.800 59.357 62.300 -0.238 0.000 0.998 83 V CB 1.476 33.004 31.823 -0.491 0.000 1.042 83 V HN 0.514 nan 8.190 nan 0.000 0.433 84 P HA 0.119 nan 4.420 nan 0.000 0.264 84 P C -0.558 176.679 177.300 -0.106 0.000 1.193 84 P CA 0.357 63.404 63.100 -0.089 0.000 0.763 84 P CB -0.041 31.607 31.700 -0.087 0.000 0.810 85 H N 6.891 125.882 119.070 -0.132 0.000 2.975 85 H HA 0.045 4.601 4.556 -0.000 0.000 0.303 85 H C -1.281 173.888 175.328 -0.264 0.000 1.023 85 H CA -1.574 54.363 56.048 -0.185 0.000 1.473 85 H CB 0.553 30.262 29.762 -0.088 0.000 1.498 85 H HN 0.320 nan 8.280 nan 0.000 0.549 86 P HA 0.002 nan 4.420 nan 0.000 0.237 86 P C 0.420 177.632 177.300 -0.147 0.000 1.178 86 P CA 0.849 63.753 63.100 -0.328 0.000 0.766 86 P CB 0.677 31.937 31.700 -0.734 0.000 0.876 87 K N -0.749 119.689 120.400 0.063 0.000 2.511 87 K HA 0.171 4.491 4.320 -0.000 0.000 0.206 87 K C 0.509 177.028 176.600 -0.135 0.000 1.333 87 K CA 0.070 56.350 56.287 -0.011 0.000 0.957 87 K CB 0.871 33.402 32.500 0.052 0.000 1.172 87 K HN 0.013 nan 8.250 nan 0.000 0.547 88 K N 2.690 122.876 120.400 -0.357 0.000 2.354 88 K HA 0.257 4.577 4.320 -0.000 0.000 0.257 88 K C -2.793 173.718 176.600 -0.149 0.000 1.062 88 K CA -2.011 53.993 56.287 -0.473 0.000 0.971 88 K CB 1.349 33.175 32.500 -1.124 0.000 1.305 88 K HN -0.139 nan 8.250 nan 0.000 0.449 89 P HA -0.099 nan 4.420 nan 0.000 0.263 89 P C 0.765 178.120 177.300 0.092 0.000 1.175 89 P CA 0.844 63.954 63.100 0.017 0.000 0.761 89 P CB 0.595 32.294 31.700 -0.001 0.000 0.794 90 G N 0.665 109.486 108.800 0.036 0.000 2.162 90 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.260 90 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.260 90 G C 0.030 174.870 174.900 -0.101 0.000 0.976 90 G CA 0.104 45.186 45.100 -0.031 0.000 0.655 90 G HN 0.655 nan 8.290 nan 0.000 0.533 91 H N -0.737 118.295 119.070 -0.064 0.000 2.544 91 H HA 0.748 5.304 4.556 -0.000 0.000 0.342 91 H C 0.306 175.643 175.328 0.015 0.000 1.185 91 H CA -0.695 55.332 56.048 -0.035 0.000 1.264 91 H CB 1.120 30.830 29.762 -0.087 0.000 1.607 91 H HN 0.091 nan 8.280 nan 0.000 0.550 92 I N 2.200 122.864 120.570 0.158 0.000 2.406 92 I HA 0.103 4.273 4.170 -0.000 0.000 0.290 92 I C -0.705 175.495 176.117 0.138 0.000 0.999 92 I CA -0.747 60.611 61.300 0.098 0.000 1.124 92 I CB 1.559 39.578 38.000 0.032 0.000 1.289 92 I HN 0.317 nan 8.210 nan 0.000 0.441 93 L N 8.453 129.717 121.223 0.067 0.000 2.278 93 L HA 0.381 4.721 4.340 -0.000 0.000 0.287 93 L C -0.536 176.356 176.870 0.038 0.000 1.072 93 L CA -0.032 54.821 54.840 0.020 0.000 0.819 93 L CB 0.984 42.948 42.059 -0.159 0.000 1.176 93 L HN 0.292 nan 8.230 nan 0.000 0.435 94 V N 7.142 127.116 119.914 0.100 0.000 2.328 94 V HA 0.334 4.454 4.120 -0.000 0.000 0.278 94 V C 0.120 176.328 176.094 0.191 0.000 1.021 94 V CA -0.523 61.865 62.300 0.147 0.000 0.838 94 V CB 1.010 32.926 31.823 0.154 0.000 0.999 94 V HN 0.572 nan 8.190 nan 0.000 0.447 95 L N 6.363 127.748 121.223 0.270 0.000 2.264 95 L HA 0.531 4.871 4.340 -0.000 0.000 0.289 95 L C -0.409 176.703 176.870 0.404 0.000 1.044 95 L CA -0.259 54.785 54.840 0.340 0.000 0.807 95 L CB 0.953 43.297 42.059 0.475 0.000 1.192 95 L HN 0.417 nan 8.230 nan 0.000 0.425 96 L N 3.345 124.706 121.223 0.230 0.000 2.295 96 L HA 0.385 4.724 4.340 -0.000 0.000 0.281 96 L C -0.635 176.240 176.870 0.008 0.000 1.018 96 L CA -0.403 54.548 54.840 0.185 0.000 0.841 96 L CB 1.475 43.646 42.059 0.187 0.000 1.218 96 L HN 0.528 nan 8.230 nan 0.000 0.424 97 D N 2.437 122.765 120.400 -0.119 0.000 2.233 97 D HA 0.402 5.042 4.640 -0.000 0.000 0.240 97 D C -0.155 176.116 176.300 -0.048 0.000 1.074 97 D CA -0.032 53.766 54.000 -0.337 0.000 0.838 97 D CB 1.577 41.760 40.800 -1.028 0.000 1.124 97 D HN 0.514 nan 8.370 nan 0.000 0.475 98 T N 0.239 114.758 114.554 -0.058 0.000 2.950 98 T HA 0.424 4.774 4.350 -0.000 0.000 0.288 98 T C 0.180 174.895 174.700 0.026 0.000 1.035 98 T CA -1.016 61.106 62.100 0.037 0.000 1.028 98 T CB 1.237 70.121 68.868 0.028 0.000 1.109 98 T HN 0.354 nan 8.240 nan 0.000 0.514 99 E N 0.765 121.013 120.200 0.080 0.000 2.415 99 E HA 0.328 4.678 4.350 -0.000 0.000 0.260 99 E C 0.900 177.516 176.600 0.027 0.000 1.016 99 E CA -0.424 56.014 56.400 0.064 0.000 0.924 99 E CB -0.147 29.606 29.700 0.089 0.000 0.961 99 E HN 0.881 nan 8.360 nan 0.000 0.459 100 G N 4.348 113.165 108.800 0.029 0.000 2.474 100 G HA2 0.038 3.998 3.960 -0.000 0.000 0.233 100 G HA3 0.038 3.998 3.960 -0.000 0.000 0.233 100 G C 0.057 174.961 174.900 0.006 0.000 1.278 100 G CA -0.446 44.674 45.100 0.034 0.000 0.861 100 G HN 0.544 nan 8.290 nan 0.000 0.567 101 L N 1.250 122.477 121.223 0.007 0.000 2.439 101 L HA 0.432 4.772 4.340 -0.000 0.000 0.269 101 L C 1.516 178.355 176.870 -0.052 0.000 1.179 101 L CA 0.669 55.516 54.840 0.011 0.000 0.828 101 L CB 0.815 42.923 42.059 0.082 0.000 1.106 101 L HN 0.967 nan 8.230 nan 0.000 0.467 102 G N 0.810 109.539 108.800 -0.119 0.000 2.160 102 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.244 102 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.244 102 G C -0.026 174.556 174.900 -0.530 0.000 1.022 102 G CA -0.042 44.958 45.100 -0.166 0.000 0.741 102 G HN 0.750 nan 8.290 nan 0.000 0.508 103 D N 0.320 120.264 120.400 -0.759 0.000 2.401 103 D HA 0.284 4.924 4.640 -0.000 0.000 0.254 103 D C 1.917 177.980 176.300 -0.394 0.000 1.192 103 D CA 0.426 53.834 54.000 -0.986 0.000 0.885 103 D CB 1.286 41.752 40.800 -0.557 0.000 1.147 103 D HN 0.647 nan 8.370 nan 0.000 0.478 104 V N 1.781 121.557 119.914 -0.229 0.000 3.041 104 V HA -0.033 4.087 4.120 -0.000 0.000 0.260 104 V C 1.891 177.971 176.094 -0.024 0.000 1.105 104 V CA 1.259 63.526 62.300 -0.054 0.000 1.125 104 V CB -0.551 31.296 31.823 0.039 0.000 0.730 104 V HN 0.602 nan 8.190 nan 0.000 0.479 105 E N 1.112 121.300 120.200 -0.019 0.000 2.106 105 E HA -0.245 4.105 4.350 -0.000 0.000 0.192 105 E C 2.247 178.838 176.600 -0.016 0.000 0.984 105 E CA 1.558 57.958 56.400 0.001 0.000 0.806 105 E CB -0.031 29.684 29.700 0.025 0.000 0.750 105 E HN 0.713 nan 8.360 nan 0.000 0.458 106 K N -0.574 119.798 120.400 -0.046 0.000 2.044 106 K HA -0.017 4.303 4.320 -0.000 0.000 0.204 106 K C 0.967 177.548 176.600 -0.032 0.000 1.045 106 K CA 1.008 57.274 56.287 -0.034 0.000 0.951 106 K CB -0.020 32.453 32.500 -0.047 0.000 0.738 106 K HN 0.246 nan 8.250 nan 0.000 0.443 107 G N 2.224 110.992 108.800 -0.053 0.000 2.323 107 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.292 107 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.292 107 G C -0.579 174.302 174.900 -0.032 0.000 1.040 107 G CA 0.765 45.840 45.100 -0.041 0.000 0.942 107 G HN 0.504 nan 8.290 nan 0.000 0.506 108 D N -0.463 119.917 120.400 -0.034 0.000 2.378 108 D HA 0.311 4.951 4.640 -0.000 0.000 0.265 108 D C 1.290 177.569 176.300 -0.034 0.000 1.229 108 D CA -0.754 53.233 54.000 -0.022 0.000 0.914 108 D CB 0.056 40.859 40.800 0.006 0.000 1.140 108 D HN -0.002 nan 8.370 nan 0.000 0.516 109 N N 1.887 120.552 118.700 -0.059 0.000 2.084 109 N HA -0.203 4.537 4.740 -0.000 0.000 0.190 109 N C 1.556 176.991 175.510 -0.125 0.000 1.030 109 N CA 0.967 53.966 53.050 -0.086 0.000 0.849 109 N CB -0.198 38.219 38.487 -0.116 0.000 1.012 109 N HN 0.598 nan 8.380 nan 0.000 0.423 110 Q N 0.817 120.527 119.800 -0.150 0.000 2.112 110 Q HA -0.226 4.114 4.340 -0.000 0.000 0.206 110 Q C 1.708 177.531 176.000 -0.296 0.000 0.987 110 Q CA 1.944 57.587 55.803 -0.267 0.000 0.858 110 Q CB -0.197 28.439 28.738 -0.170 0.000 0.905 110 Q HN 0.336 nan 8.270 nan 0.000 0.420 111 N N 0.037 118.713 118.700 -0.039 0.000 2.142 111 N HA -0.152 4.588 4.740 -0.000 0.000 0.186 111 N C 1.149 176.737 175.510 0.131 0.000 1.023 111 N CA 1.591 54.724 53.050 0.139 0.000 0.852 111 N CB -0.134 38.435 38.487 0.137 0.000 0.998 111 N HN 0.285 nan 8.380 nan 0.000 0.424 112 D N -0.468 119.967 120.400 0.059 0.000 2.126 112 D HA -0.142 4.498 4.640 -0.000 0.000 0.190 112 D C 1.954 178.349 176.300 0.159 0.000 1.001 112 D CA 1.273 55.335 54.000 0.103 0.000 0.841 112 D CB -0.583 40.257 40.800 0.067 0.000 0.949 112 D HN 0.196 nan 8.370 nan 0.000 0.446 113 S N -0.360 115.350 115.700 0.017 0.000 2.370 113 S HA -0.183 4.287 4.470 -0.000 0.000 0.226 113 S C 1.933 176.590 174.600 0.095 0.000 1.033 113 S CA 1.062 59.248 58.200 -0.023 0.000 1.011 113 S CB -0.558 62.517 63.200 -0.210 0.000 0.852 113 S HN 0.460 nan 8.310 nan 0.000 0.457 114 W N 1.522 122.882 121.300 0.100 0.000 2.355 114 W HA -0.031 4.629 4.660 -0.000 0.000 0.309 114 W C 2.142 178.729 176.519 0.114 0.000 1.206 114 W CA 0.082 57.474 57.345 0.079 0.000 1.284 114 W CB -0.435 29.065 29.460 0.066 0.000 1.145 114 W HN 0.230 nan 8.180 nan 0.000 0.502 115 I N -0.651 120.155 120.570 0.393 0.000 2.142 115 I HA -0.341 3.829 4.170 -0.000 0.000 0.240 115 I C 2.378 178.699 176.117 0.341 0.000 1.078 115 I CA 1.466 62.946 61.300 0.299 0.000 1.343 115 I CB -0.930 37.209 38.000 0.231 0.000 1.046 115 I HN 0.003 nan 8.210 nan 0.000 0.405 116 F N 1.547 121.601 119.950 0.173 0.000 2.063 116 F HA -0.406 4.121 4.527 -0.000 0.000 0.298 116 F C 2.651 178.520 175.800 0.116 0.000 1.109 116 F CA 1.594 59.700 58.000 0.177 0.000 1.212 116 F CB -0.047 39.044 39.000 0.153 0.000 0.973 116 F HN 0.087 nan 8.300 nan 0.000 0.480 117 A N 0.438 123.441 122.820 0.305 0.000 1.865 117 A HA -0.204 4.116 4.320 -0.000 0.000 0.217 117 A C 2.098 179.753 177.584 0.119 0.000 1.191 117 A CA 1.762 53.870 52.037 0.119 0.000 0.623 117 A CB -1.225 17.840 19.000 0.107 0.000 0.826 117 A HN 0.486 nan 8.150 nan 0.000 0.444 118 L N -0.709 120.616 121.223 0.170 0.000 2.043 118 L HA -0.279 4.061 4.340 -0.000 0.000 0.212 118 L C 3.126 180.103 176.870 0.179 0.000 1.075 118 L CA 1.269 56.191 54.840 0.138 0.000 0.752 118 L CB -0.526 41.634 42.059 0.169 0.000 0.891 118 L HN 0.474 nan 8.230 nan 0.000 0.432 119 A N -0.594 122.376 122.820 0.249 0.000 1.908 119 A HA -0.185 4.135 4.320 -0.000 0.000 0.218 119 A C 2.302 180.077 177.584 0.318 0.000 1.181 119 A CA 2.073 54.301 52.037 0.318 0.000 0.627 119 A CB -0.897 18.352 19.000 0.416 0.000 0.818 119 A HN 0.225 nan 8.150 nan 0.000 0.445 120 V N -0.148 119.858 119.914 0.153 0.000 2.358 120 V HA -0.230 3.890 4.120 -0.000 0.000 0.246 120 V C 2.524 178.701 176.094 0.138 0.000 1.047 120 V CA 1.881 64.180 62.300 -0.002 0.000 1.035 120 V CB -0.690 31.016 31.823 -0.195 0.000 0.658 120 V HN 0.562 nan 8.190 nan 0.000 0.452 121 L N -0.901 120.364 121.223 0.069 0.000 2.141 121 L HA -0.100 4.240 4.340 -0.000 0.000 0.209 121 L C 2.096 179.071 176.870 0.174 0.000 1.094 121 L CA 1.299 56.136 54.840 -0.005 0.000 0.763 121 L CB -0.233 41.586 42.059 -0.401 0.000 0.908 121 L HN 0.308 nan 8.230 nan 0.000 0.437 122 L N -1.325 120.031 121.223 0.222 0.000 2.554 122 L HA 0.097 4.437 4.340 -0.000 0.000 0.225 122 L C 1.151 178.171 176.870 0.251 0.000 1.104 122 L CA -0.231 54.769 54.840 0.266 0.000 0.866 122 L CB 0.046 42.255 42.059 0.250 0.000 1.047 122 L HN 0.227 nan 8.230 nan 0.000 0.468 123 S N -1.643 114.221 115.700 0.274 0.000 2.654 123 S HA 0.302 4.772 4.470 -0.000 0.000 0.283 123 S C 0.891 175.656 174.600 0.274 0.000 1.180 123 S CA -0.132 58.243 58.200 0.291 0.000 1.021 123 S CB 1.835 65.269 63.200 0.389 0.000 1.018 123 S HN 0.169 nan 8.310 nan 0.000 0.532 124 S N 0.324 116.173 115.700 0.248 0.000 2.506 124 S HA 0.230 4.700 4.470 -0.000 0.000 0.219 124 S C 0.340 175.098 174.600 0.264 0.000 1.031 124 S CA -0.203 58.139 58.200 0.236 0.000 0.911 124 S CB -0.185 63.129 63.200 0.190 0.000 0.812 124 S HN 0.723 nan 8.310 nan 0.000 0.497 125 T N 2.714 117.425 114.554 0.262 0.000 2.809 125 T HA 0.558 4.907 4.350 -0.000 0.000 0.284 125 T C -1.715 173.176 174.700 0.318 0.000 0.992 125 T CA -0.373 61.893 62.100 0.278 0.000 0.957 125 T CB 1.152 70.126 68.868 0.177 0.000 0.942 125 T HN 0.279 nan 8.240 nan 0.000 0.439 126 F N 4.577 124.664 119.950 0.228 0.000 2.411 126 F HA 0.628 5.155 4.527 -0.000 0.000 0.352 126 F C -0.750 175.007 175.800 -0.071 0.000 1.123 126 F CA -1.017 57.090 58.000 0.178 0.000 1.044 126 F CB 0.826 40.078 39.000 0.421 0.000 1.135 126 F HN 0.254 nan 8.300 nan 0.000 0.461 127 V N 7.839 127.259 119.914 -0.824 0.000 2.347 127 V HA 0.193 4.313 4.120 -0.000 0.000 0.280 127 V C -0.978 174.477 176.094 -1.065 0.000 1.021 127 V CA -0.838 61.018 62.300 -0.741 0.000 0.847 127 V CB 0.798 32.417 31.823 -0.340 0.000 0.990 127 V HN 0.674 nan 8.190 nan 0.000 0.444 128 Y N 4.830 124.467 120.300 -1.105 0.000 2.335 128 Y HA 0.518 5.068 4.550 -0.000 0.000 0.339 128 Y C 0.154 175.525 175.900 -0.882 0.000 0.987 128 Y CA -0.359 57.151 58.100 -0.984 0.000 1.140 128 Y CB 1.306 39.212 38.460 -0.922 0.000 1.173 128 Y HN 0.736 nan 8.280 nan 0.000 0.486 129 N N 3.642 121.667 118.700 -1.125 0.000 2.446 129 N HA 0.469 5.209 4.740 -0.000 0.000 0.265 129 N C -1.539 173.745 175.510 -0.375 0.000 0.975 129 N CA -0.309 52.394 53.050 -0.579 0.000 0.928 129 N CB 0.968 39.152 38.487 -0.505 0.000 1.160 129 N HN 0.595 nan 8.380 nan 0.000 0.495 130 S N 2.578 118.319 115.700 0.069 0.000 2.632 130 S HA 0.598 5.068 4.470 -0.000 0.000 0.289 130 S C -0.561 174.194 174.600 0.258 0.000 1.115 130 S CA -0.901 57.463 58.200 0.273 0.000 0.889 130 S CB 0.855 64.452 63.200 0.661 0.000 1.116 130 S HN 0.414 nan 8.310 nan 0.000 0.486 131 I N 1.951 122.652 120.570 0.218 0.000 2.315 131 I HA 0.535 4.705 4.170 -0.000 0.000 0.291 131 I C 1.329 177.583 176.117 0.229 0.000 1.006 131 I CA 0.559 61.970 61.300 0.186 0.000 1.265 131 I CB 0.816 38.877 38.000 0.102 0.000 1.387 131 I HN 1.187 nan 8.210 nan 0.000 0.475 132 G N 4.885 113.847 108.800 0.270 0.000 3.206 132 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.217 132 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.217 132 G C 0.334 175.435 174.900 0.334 0.000 1.350 132 G CA 0.320 45.555 45.100 0.226 0.000 0.836 132 G HN 0.778 nan 8.290 nan 0.000 0.548 133 T N -1.220 113.529 114.554 0.325 0.000 2.883 133 T HA 0.737 5.087 4.350 -0.000 0.000 0.296 133 T C -0.231 174.628 174.700 0.265 0.000 1.117 133 T CA -0.530 61.781 62.100 0.352 0.000 1.006 133 T CB 2.292 71.309 68.868 0.249 0.000 1.191 133 T HN 0.755 nan 8.240 nan 0.000 0.508 134 I N 2.542 123.155 120.570 0.073 0.000 2.395 134 I HA 0.430 4.600 4.170 -0.000 0.000 0.289 134 I C 0.227 176.297 176.117 -0.079 0.000 1.023 134 I CA -0.422 60.687 61.300 -0.319 0.000 1.350 134 I CB 0.842 38.241 38.000 -1.001 0.000 1.409 134 I HN 0.878 nan 8.210 nan 0.000 0.507 135 N N 3.759 122.479 118.700 0.033 0.000 2.235 135 N HA 0.176 4.916 4.740 -0.000 0.000 0.293 135 N C 0.222 175.779 175.510 0.078 0.000 1.083 135 N CA -0.661 52.439 53.050 0.083 0.000 0.801 135 N CB 1.615 40.189 38.487 0.146 0.000 1.559 135 N HN 0.428 nan 8.380 nan 0.000 0.472 136 Q N 1.222 121.045 119.800 0.039 0.000 2.135 136 Q HA -0.163 4.177 4.340 -0.000 0.000 0.204 136 Q C 1.164 177.188 176.000 0.040 0.000 0.981 136 Q CA 2.006 57.813 55.803 0.007 0.000 0.856 136 Q CB -0.035 28.698 28.738 -0.010 0.000 0.902 136 Q HN 0.820 nan 8.270 nan 0.000 0.425 137 Q N -0.980 118.863 119.800 0.071 0.000 2.170 137 Q HA -0.086 4.253 4.340 -0.000 0.000 0.203 137 Q C 1.932 177.999 176.000 0.111 0.000 0.976 137 Q CA 1.209 57.059 55.803 0.079 0.000 0.858 137 Q CB -0.175 28.614 28.738 0.084 0.000 0.907 137 Q HN 0.502 nan 8.270 nan 0.000 0.433 138 A N 0.778 123.691 122.820 0.156 0.000 1.930 138 A HA -0.093 4.227 4.320 -0.000 0.000 0.215 138 A C 1.976 179.608 177.584 0.081 0.000 1.176 138 A CA 0.778 52.903 52.037 0.147 0.000 0.632 138 A CB -0.364 18.776 19.000 0.234 0.000 0.819 138 A HN 0.313 nan 8.150 nan 0.000 0.445 139 M N -0.450 119.227 119.600 0.128 0.000 2.175 139 M HA -0.142 4.338 4.480 -0.000 0.000 0.264 139 M C 1.078 177.411 176.300 0.055 0.000 1.063 139 M CA 1.749 57.099 55.300 0.084 0.000 1.119 139 M CB -0.334 32.269 32.600 0.005 0.000 1.377 139 M HN 0.330 nan 8.290 nan 0.000 0.415 140 D N 0.015 120.445 120.400 0.050 0.000 2.117 140 D HA -0.236 4.404 4.640 -0.000 0.000 0.197 140 D C 1.810 178.171 176.300 0.102 0.000 0.987 140 D CA 1.343 55.390 54.000 0.079 0.000 0.829 140 D CB -0.381 40.446 40.800 0.045 0.000 0.961 140 D HN 0.542 nan 8.370 nan 0.000 0.460 141 Q N -0.200 119.643 119.800 0.072 0.000 2.123 141 Q HA -0.101 4.238 4.340 -0.000 0.000 0.199 141 Q C 2.191 178.152 176.000 -0.066 0.000 0.966 141 Q CA 0.460 56.287 55.803 0.039 0.000 0.845 141 Q CB -0.078 28.749 28.738 0.148 0.000 0.907 141 Q HN 0.122 nan 8.270 nan 0.000 0.439 142 L N 0.264 121.509 121.223 0.037 0.000 2.042 142 L HA -0.212 4.128 4.340 -0.000 0.000 0.210 142 L C 2.158 178.965 176.870 -0.105 0.000 1.076 142 L CA 1.927 56.783 54.840 0.026 0.000 0.749 142 L CB -0.896 41.223 42.059 0.101 0.000 0.893 142 L HN 0.389 nan 8.230 nan 0.000 0.432 143 Y N -1.089 119.124 120.300 -0.145 0.000 2.114 143 Y HA -0.323 4.227 4.550 -0.000 0.000 0.284 143 Y C 2.535 178.292 175.900 -0.238 0.000 1.143 143 Y CA 1.956 59.944 58.100 -0.187 0.000 1.135 143 Y CB -1.131 37.252 38.460 -0.128 0.000 0.980 143 Y HN 0.387 nan 8.280 nan 0.000 0.499 144 Y N 0.119 120.086 120.300 -0.556 0.000 2.114 144 Y HA -0.277 4.273 4.550 -0.000 0.000 0.282 144 Y C 2.338 177.868 175.900 -0.617 0.000 1.165 144 Y CA 2.611 60.340 58.100 -0.618 0.000 1.148 144 Y CB -0.737 37.497 38.460 -0.377 0.000 0.972 144 Y HN -0.006 nan 8.280 nan 0.000 0.504 145 V N -0.628 118.938 119.914 -0.579 0.000 2.427 145 V HA -0.283 3.837 4.120 -0.000 0.000 0.248 145 V C 2.312 177.982 176.094 -0.706 0.000 1.051 145 V CA 2.243 64.121 62.300 -0.703 0.000 1.048 145 V CB -1.043 30.135 31.823 -1.075 0.000 0.666 145 V HN 0.489 nan 8.190 nan 0.000 0.456 146 T N -0.340 113.757 114.554 -0.763 0.000 2.653 146 T HA -0.236 4.114 4.350 -0.000 0.000 0.268 146 T C 1.910 176.032 174.700 -0.964 0.000 1.035 146 T CA 1.785 63.285 62.100 -1.000 0.000 1.154 146 T CB -0.234 68.037 68.868 -0.995 0.000 0.862 146 T HN 0.460 nan 8.240 nan 0.000 0.441 147 E N 0.546 120.213 120.200 -0.889 0.000 2.107 147 E HA -0.020 4.330 4.350 -0.000 0.000 0.191 147 E C 2.228 178.473 176.600 -0.591 0.000 0.982 147 E CA 0.539 56.465 56.400 -0.790 0.000 0.809 147 E CB -0.525 28.725 29.700 -0.750 0.000 0.756 147 E HN 0.367 nan 8.360 nan 0.000 0.459 148 L N 1.134 121.967 121.223 -0.650 0.000 2.083 148 L HA -0.124 4.216 4.340 -0.000 0.000 0.209 148 L C 2.240 178.978 176.870 -0.219 0.000 1.083 148 L CA 1.831 56.402 54.840 -0.450 0.000 0.752 148 L CB -0.946 40.778 42.059 -0.558 0.000 0.899 148 L HN 0.010 nan 8.230 nan 0.000 0.433 149 T N -1.117 113.282 114.554 -0.257 0.000 2.699 149 T HA -0.227 4.123 4.350 -0.000 0.000 0.268 149 T C 1.744 176.518 174.700 0.123 0.000 1.036 149 T CA 1.816 63.869 62.100 -0.080 0.000 1.147 149 T CB -0.338 68.477 68.868 -0.088 0.000 0.862 149 T HN 0.528 nan 8.240 nan 0.000 0.446 150 H N 1.203 120.271 119.070 -0.002 0.000 2.319 150 H HA 0.052 4.608 4.556 -0.000 0.000 0.299 150 H C 2.511 177.856 175.328 0.027 0.000 1.092 150 H CA 1.213 57.292 56.048 0.051 0.000 1.302 150 H CB -0.249 29.531 29.762 0.031 0.000 1.373 150 H HN 0.348 nan 8.280 nan 0.000 0.497 151 R N -0.042 120.520 120.500 0.104 0.000 2.096 151 R HA -0.046 4.294 4.340 -0.000 0.000 0.235 151 R C 2.446 178.798 176.300 0.086 0.000 1.127 151 R CA 1.314 57.455 56.100 0.068 0.000 0.968 151 R CB -0.293 30.016 30.300 0.015 0.000 0.861 151 R HN 0.305 nan 8.270 nan 0.000 0.440 152 I N 0.552 121.173 120.570 0.086 0.000 2.202 152 I HA -0.251 3.919 4.170 -0.000 0.000 0.242 152 I C 2.568 178.763 176.117 0.130 0.000 1.091 152 I CA 1.295 62.651 61.300 0.093 0.000 1.368 152 I CB -0.274 37.753 38.000 0.045 0.000 1.058 152 I HN 0.104 nan 8.210 nan 0.000 0.410 153 R N 0.255 120.836 120.500 0.135 0.000 2.091 153 R HA -0.143 4.196 4.340 -0.000 0.000 0.238 153 R C 2.536 178.923 176.300 0.145 0.000 1.136 153 R CA 1.704 57.921 56.100 0.194 0.000 0.959 153 R CB -0.361 30.056 30.300 0.194 0.000 0.856 153 R HN 0.276 nan 8.270 nan 0.000 0.437 154 S N 0.638 116.406 115.700 0.113 0.000 2.368 154 S HA -0.144 4.326 4.470 -0.000 0.000 0.225 154 S C 1.736 176.377 174.600 0.069 0.000 1.030 154 S CA 1.154 59.402 58.200 0.081 0.000 0.999 154 S CB -0.070 63.173 63.200 0.070 0.000 0.844 154 S HN 0.258 nan 8.310 nan 0.000 0.459 155 K N 0.718 121.164 120.400 0.077 0.000 2.280 155 K HA 0.008 4.327 4.320 -0.000 0.000 0.202 155 K C 0.218 176.852 176.600 0.057 0.000 1.047 155 K CA 0.686 57.010 56.287 0.061 0.000 0.942 155 K CB 0.094 32.630 32.500 0.060 0.000 0.739 155 K HN 0.228 nan 8.250 nan 0.000 0.457 156 S N -1.009 114.739 115.700 0.081 0.000 2.560 156 S HA 0.362 4.832 4.470 -0.000 0.000 0.283 156 S C -1.277 173.363 174.600 0.067 0.000 1.141 156 S CA -0.029 58.203 58.200 0.052 0.000 0.902 156 S CB 1.091 64.302 63.200 0.019 0.000 1.104 156 S HN 0.452 nan 8.310 nan 0.000 0.454 173 S N 4.043 119.835 115.700 0.154 0.000 2.482 173 S HA 0.806 5.275 4.470 -0.000 0.000 0.303 173 S C -0.128 174.592 174.600 0.200 0.000 1.091 173 S CA -0.056 58.269 58.200 0.209 0.000 1.057 173 S CB 1.517 64.823 63.200 0.176 0.000 1.031 173 S HN 1.831 nan 8.310 nan 0.000 0.485 174 F N 2.322 122.252 119.950 -0.033 0.000 2.654 174 F HA 0.579 5.106 4.527 -0.000 0.000 0.303 174 F C -0.632 175.027 175.800 -0.236 0.000 1.099 174 F CA -1.109 56.812 58.000 -0.132 0.000 1.270 174 F CB -0.162 38.718 39.000 -0.200 0.000 1.024 174 F HN 0.306 nan 8.300 nan 0.000 0.548 175 F N 3.675 123.224 119.950 -0.669 0.000 2.418 175 F HA 0.410 4.937 4.527 -0.000 0.000 0.341 175 F C -1.823 173.865 175.800 -0.188 0.000 1.120 175 F CA -2.921 54.701 58.000 -0.631 0.000 1.232 175 F CB -0.158 38.214 39.000 -1.045 0.000 1.175 175 F HN -0.139 nan 8.300 nan 0.000 0.569 176 P HA 0.052 nan 4.420 nan 0.000 0.272 176 P C -0.743 176.874 177.300 0.529 0.000 1.230 176 P CA -0.301 63.026 63.100 0.378 0.000 0.788 176 P CB 0.834 32.847 31.700 0.521 0.000 0.949 177 D N 0.481 121.158 120.400 0.462 0.000 2.377 177 D HA 0.297 4.937 4.640 -0.000 0.000 0.245 177 D C -0.557 176.098 176.300 0.590 0.000 1.196 177 D CA 0.439 54.737 54.000 0.497 0.000 0.962 177 D CB 0.338 41.343 40.800 0.342 0.000 1.127 177 D HN 0.268 nan 8.370 nan 0.000 0.471 178 F N 0.223 120.368 119.950 0.325 0.000 2.529 178 F HA 0.421 4.948 4.527 -0.000 0.000 0.320 178 F C -1.256 174.642 175.800 0.162 0.000 1.118 178 F CA -0.603 57.479 58.000 0.136 0.000 0.915 178 F CB 1.431 40.310 39.000 -0.203 0.000 1.161 178 F HN -0.017 nan 8.300 nan 0.000 0.445 179 V N 5.577 125.113 119.914 -0.630 0.000 2.577 179 V HA 0.223 4.343 4.120 -0.000 0.000 0.303 179 V C -1.308 174.428 176.094 -0.596 0.000 1.042 179 V CA -0.863 61.243 62.300 -0.322 0.000 0.872 179 V CB 1.959 33.838 31.823 0.092 0.000 0.998 179 V HN 0.780 nan 8.190 nan 0.000 0.423 180 W N 5.124 126.234 121.300 -0.316 0.000 2.316 180 W HA 0.513 5.173 4.660 -0.000 0.000 0.308 180 W C 0.145 176.691 176.519 0.045 0.000 1.106 180 W CA -0.472 56.817 57.345 -0.093 0.000 1.262 180 W CB 1.688 31.218 29.460 0.117 0.000 1.233 180 W HN 0.686 nan 8.180 nan 0.000 0.447 181 T N 4.221 118.917 114.554 0.235 0.000 2.743 181 T HA 0.587 4.937 4.350 -0.000 0.000 0.292 181 T C -0.460 174.477 174.700 0.395 0.000 0.972 181 T CA -0.663 61.618 62.100 0.302 0.000 0.967 181 T CB 1.116 69.949 68.868 -0.059 0.000 0.926 181 T HN 0.300 nan 8.240 nan 0.000 0.459 182 L N 4.307 125.820 121.223 0.482 0.000 2.265 182 L HA 0.550 4.890 4.340 -0.000 0.000 0.289 182 L C 0.617 177.760 176.870 0.455 0.000 1.033 182 L CA -0.983 54.123 54.840 0.445 0.000 0.814 182 L CB 0.895 43.157 42.059 0.338 0.000 1.203 182 L HN 0.457 nan 8.230 nan 0.000 0.423 183 R N 1.791 122.495 120.500 0.339 0.000 2.643 183 R HA 0.276 4.616 4.340 -0.000 0.000 0.272 183 R C -0.222 176.236 176.300 0.263 0.000 0.995 183 R CA -0.901 55.360 56.100 0.269 0.000 1.032 183 R CB 0.657 31.015 30.300 0.096 0.000 1.126 183 R HN 0.582 nan 8.270 nan 0.000 0.505 184 D N 0.380 120.909 120.400 0.215 0.000 2.737 184 D HA -0.247 4.393 4.640 -0.000 0.000 0.233 184 D C -0.379 176.015 176.300 0.157 0.000 1.155 184 D CA 0.807 54.890 54.000 0.137 0.000 0.667 184 D CB -1.498 39.334 40.800 0.054 0.000 1.060 184 D HN 0.368 nan 8.370 nan 0.000 0.427 185 F N 0.931 120.959 119.950 0.130 0.000 2.533 185 F HA 0.178 4.705 4.527 -0.000 0.000 0.378 185 F C 1.204 177.040 175.800 0.061 0.000 1.070 185 F CA 0.287 58.347 58.000 0.100 0.000 1.172 185 F CB 0.595 39.664 39.000 0.114 0.000 1.085 185 F HN -0.133 nan 8.300 nan 0.000 0.552 186 S N 4.885 120.191 115.700 -0.656 0.000 2.687 186 S HA 0.299 4.769 4.470 -0.000 0.000 0.247 186 S C 0.134 174.443 174.600 -0.486 0.000 1.050 186 S CA -0.378 57.583 58.200 -0.399 0.000 1.063 186 S CB 0.063 63.147 63.200 -0.193 0.000 1.039 186 S HN 0.403 nan 8.310 nan 0.000 0.580 187 L N 2.218 122.940 121.223 -0.834 0.000 2.399 187 L HA 0.415 4.755 4.340 -0.000 0.000 0.265 187 L C -0.345 176.309 176.870 -0.359 0.000 1.089 187 L CA -0.846 53.692 54.840 -0.504 0.000 0.802 187 L CB 0.446 42.252 42.059 -0.422 0.000 1.180 187 L HN 0.026 nan 8.230 nan 0.000 0.454 188 D N 2.093 122.390 120.400 -0.172 0.000 2.417 188 D HA 0.121 4.761 4.640 -0.000 0.000 0.250 188 D C 0.060 176.329 176.300 -0.053 0.000 1.166 188 D CA 0.230 54.184 54.000 -0.077 0.000 0.881 188 D CB 1.160 41.918 40.800 -0.071 0.000 1.164 188 D HN 0.287 nan 8.370 nan 0.000 0.467 189 L N 3.205 124.437 121.223 0.015 0.000 2.384 189 L HA 0.098 4.438 4.340 -0.000 0.000 0.258 189 L C 0.617 177.410 176.870 -0.129 0.000 1.266 189 L CA 0.385 55.187 54.840 -0.063 0.000 1.162 189 L CB -0.202 41.831 42.059 -0.044 0.000 1.375 189 L HN 0.186 nan 8.230 nan 0.000 0.420 190 E N 1.610 121.711 120.200 -0.166 0.000 2.340 190 E HA 0.782 5.132 4.350 -0.000 0.000 0.273 190 E C -1.255 175.222 176.600 -0.205 0.000 0.891 190 E CA -0.821 55.490 56.400 -0.148 0.000 0.757 190 E CB 2.819 32.459 29.700 -0.100 0.000 1.231 190 E HN 0.365 nan 8.360 nan 0.000 0.439 191 A N 2.505 125.207 122.820 -0.197 0.000 2.491 191 A HA 0.409 4.729 4.320 -0.000 0.000 0.293 191 A C -0.980 176.541 177.584 -0.105 0.000 1.047 191 A CA -0.648 51.261 52.037 -0.215 0.000 0.735 191 A CB 0.826 19.523 19.000 -0.504 0.000 1.281 191 A HN 0.745 nan 8.150 nan 0.000 0.398 192 D N 1.704 122.077 120.400 -0.046 0.000 2.699 192 D HA -0.202 4.438 4.640 -0.000 0.000 0.239 192 D C 1.156 177.445 176.300 -0.018 0.000 1.136 192 D CA 2.596 56.591 54.000 -0.008 0.000 0.668 192 D CB -1.273 39.543 40.800 0.027 0.000 1.060 192 D HN 2.236 nan 8.370 nan 0.000 0.429 193 G N -0.460 108.322 108.800 -0.030 0.000 2.199 193 G HA2 -0.363 3.597 3.960 -0.000 0.000 0.254 193 G HA3 -0.363 3.597 3.960 -0.000 0.000 0.254 193 G C 0.247 175.128 174.900 -0.032 0.000 0.982 193 G CA 0.681 45.765 45.100 -0.026 0.000 0.632 193 G HN 0.501 nan 8.290 nan 0.000 0.529 194 Q N 1.129 120.904 119.800 -0.043 0.000 2.316 194 Q HA 0.563 4.903 4.340 -0.000 0.000 0.264 194 Q C -2.279 173.684 176.000 -0.062 0.000 0.987 194 Q CA -2.051 53.727 55.803 -0.042 0.000 0.852 194 Q CB 2.635 31.353 28.738 -0.033 0.000 1.287 194 Q HN 0.218 nan 8.270 nan 0.000 0.448 195 P HA 0.028 nan 4.420 nan 0.000 0.269 195 P C -0.991 176.267 177.300 -0.071 0.000 1.215 195 P CA 0.227 63.290 63.100 -0.061 0.000 0.780 195 P CB 0.736 32.410 31.700 -0.043 0.000 0.898 196 L N 1.169 122.338 121.223 -0.090 0.000 2.354 196 L HA 0.435 4.774 4.340 -0.000 0.000 0.269 196 L C 1.159 177.982 176.870 -0.078 0.000 1.005 196 L CA -0.763 54.026 54.840 -0.085 0.000 0.819 196 L CB 2.101 44.087 42.059 -0.122 0.000 1.311 196 L HN 0.386 nan 8.230 nan 0.000 0.423 197 T N -1.800 112.715 114.554 -0.065 0.000 2.816 197 T HA 0.272 4.622 4.350 -0.000 0.000 0.282 197 T C -2.043 172.601 174.700 -0.094 0.000 0.993 197 T CA -1.566 60.483 62.100 -0.086 0.000 0.994 197 T CB 1.194 70.012 68.868 -0.083 0.000 1.025 197 T HN 0.305 nan 8.240 nan 0.000 0.529 198 P HA -0.047 nan 4.420 nan 0.000 0.216 198 P C 1.111 178.354 177.300 -0.095 0.000 1.150 198 P CA 0.911 63.919 63.100 -0.154 0.000 0.837 198 P CB 0.014 31.555 31.700 -0.266 0.000 0.786 199 D N -0.457 119.861 120.400 -0.137 0.000 2.097 199 D HA -0.141 4.498 4.640 -0.000 0.000 0.197 199 D C 1.810 178.096 176.300 -0.023 0.000 0.984 199 D CA 1.123 55.061 54.000 -0.103 0.000 0.826 199 D CB -0.400 40.325 40.800 -0.125 0.000 0.973 199 D HN 0.318 nan 8.370 nan 0.000 0.460 200 E N -0.534 119.663 120.200 -0.005 0.000 2.204 200 E HA -0.187 4.162 4.350 -0.000 0.000 0.194 200 E C 1.815 178.484 176.600 0.116 0.000 0.989 200 E CA 0.369 56.793 56.400 0.040 0.000 0.824 200 E CB -0.101 29.609 29.700 0.018 0.000 0.756 200 E HN 0.327 nan 8.360 nan 0.000 0.477 201 Y N 1.269 121.530 120.300 -0.065 0.000 2.242 201 Y HA -0.158 4.392 4.550 -0.000 0.000 0.291 201 Y C 2.005 177.911 175.900 0.011 0.000 1.137 201 Y CA 0.850 58.919 58.100 -0.052 0.000 1.181 201 Y CB -0.276 38.108 38.460 -0.127 0.000 0.989 201 Y HN 0.034 nan 8.280 nan 0.000 0.527 202 L N 0.061 121.214 121.223 -0.117 0.000 2.027 202 L HA -0.115 4.225 4.340 -0.000 0.000 0.206 202 L C 2.660 179.474 176.870 -0.093 0.000 1.074 202 L CA 2.729 57.442 54.840 -0.213 0.000 0.745 202 L CB -1.387 40.626 42.059 -0.077 0.000 0.898 202 L HN 0.445 nan 8.230 nan 0.000 0.433 203 T N -2.542 112.013 114.554 0.001 0.000 2.904 203 T HA -0.268 4.082 4.350 -0.000 0.000 0.267 203 T C 1.988 176.720 174.700 0.053 0.000 1.059 203 T CA 1.275 63.387 62.100 0.021 0.000 1.137 203 T CB -0.813 68.078 68.868 0.038 0.000 0.879 203 T HN 0.512 nan 8.240 nan 0.000 0.467 204 Y N 2.844 123.127 120.300 -0.028 0.000 2.114 204 Y HA -0.209 4.341 4.550 -0.000 0.000 0.282 204 Y C 2.690 178.567 175.900 -0.039 0.000 1.165 204 Y CA 2.300 60.399 58.100 -0.001 0.000 1.148 204 Y CB -0.674 37.826 38.460 0.066 0.000 0.972 204 Y HN 0.432 nan 8.280 nan 0.000 0.504 205 S N -0.542 115.082 115.700 -0.127 0.000 2.481 205 S HA -0.087 4.383 4.470 -0.000 0.000 0.231 205 S C 1.391 175.829 174.600 -0.270 0.000 0.996 205 S CA 1.251 59.271 58.200 -0.300 0.000 0.942 205 S CB -0.647 62.321 63.200 -0.387 0.000 0.768 205 S HN 0.521 nan 8.310 nan 0.000 0.520 206 L N 0.470 121.579 121.223 -0.189 0.000 2.769 206 L HA 0.374 4.713 4.340 -0.000 0.000 0.240 206 L C 0.844 177.651 176.870 -0.105 0.000 1.163 206 L CA -0.273 54.473 54.840 -0.157 0.000 0.962 206 L CB 0.131 42.124 42.059 -0.110 0.000 1.258 206 L HN 0.161 nan 8.230 nan 0.000 0.513 207 K N 1.870 122.213 120.400 -0.095 0.000 2.350 207 K HA 0.254 4.574 4.320 -0.000 0.000 0.279 207 K C -0.332 176.305 176.600 0.061 0.000 1.027 207 K CA -0.303 55.967 56.287 -0.027 0.000 0.969 207 K CB 0.698 33.167 32.500 -0.052 0.000 0.954 207 K HN 0.104 nan 8.250 nan 0.000 0.474 208 L N 3.614 124.874 121.223 0.062 0.000 2.371 208 L HA 0.225 4.564 4.340 -0.000 0.000 0.272 208 L C 0.373 177.291 176.870 0.080 0.000 1.124 208 L CA -0.524 54.385 54.840 0.116 0.000 0.816 208 L CB 0.570 42.661 42.059 0.053 0.000 1.129 208 L HN 0.519 nan 8.230 nan 0.000 0.448 209 K N 2.453 122.894 120.400 0.068 0.000 2.379 209 K HA 0.011 4.331 4.320 -0.000 0.000 0.284 209 K C 1.148 177.715 176.600 -0.056 0.000 1.044 209 K CA -0.254 55.961 56.287 -0.121 0.000 0.974 209 K CB 0.767 33.066 32.500 -0.335 0.000 0.962 209 K HN 0.439 nan 8.250 nan 0.000 0.474 210 K N 2.476 122.839 120.400 -0.061 0.000 2.097 210 K HA -0.076 4.244 4.320 -0.000 0.000 0.206 210 K C 0.749 177.327 176.600 -0.037 0.000 1.049 210 K CA 0.915 57.180 56.287 -0.037 0.000 0.933 210 K CB -0.738 31.742 32.500 -0.034 0.000 0.717 210 K HN 0.616 nan 8.250 nan 0.000 0.442 211 G N 2.299 111.066 108.800 -0.055 0.000 2.287 211 G HA2 -0.005 3.955 3.960 -0.000 0.000 0.235 211 G HA3 -0.005 3.955 3.960 -0.000 0.000 0.235 211 G C 0.995 175.876 174.900 -0.031 0.000 1.258 211 G CA 0.460 45.532 45.100 -0.047 0.000 0.884 211 G HN 0.396 nan 8.290 nan 0.000 0.518 212 T N 1.158 115.698 114.554 -0.023 0.000 2.699 212 T HA -0.205 4.145 4.350 -0.000 0.000 0.268 212 T C 2.029 176.718 174.700 -0.018 0.000 1.036 212 T CA 1.164 63.254 62.100 -0.017 0.000 1.147 212 T CB -0.783 68.077 68.868 -0.013 0.000 0.862 212 T HN 1.462 nan 8.240 nan 0.000 0.446 213 S N 1.397 117.082 115.700 -0.025 0.000 2.522 213 S HA -0.216 4.254 4.470 -0.000 0.000 0.293 213 S C 1.141 175.730 174.600 -0.018 0.000 1.289 213 S CA 0.516 58.701 58.200 -0.025 0.000 1.028 213 S CB 0.242 63.420 63.200 -0.037 0.000 0.756 213 S HN 0.590 nan 8.310 nan 0.000 0.480 214 Q N 2.620 122.412 119.800 -0.013 0.000 1.891 214 Q HA -0.209 4.130 4.340 -0.000 0.000 0.214 214 Q C 2.290 178.289 176.000 -0.000 0.000 0.995 214 Q CA 2.626 58.426 55.803 -0.005 0.000 0.866 214 Q CB -0.407 28.329 28.738 -0.003 0.000 0.931 214 Q HN 0.948 nan 8.270 nan 0.000 0.422 215 K N -0.278 120.120 120.400 -0.002 0.000 2.127 215 K HA -0.232 4.088 4.320 -0.000 0.000 0.208 215 K C 1.474 178.085 176.600 0.020 0.000 1.047 215 K CA 1.697 57.990 56.287 0.011 0.000 0.927 215 K CB -0.537 31.963 32.500 0.000 0.000 0.716 215 K HN 0.226 nan 8.250 nan 0.000 0.450 216 D N 1.143 121.528 120.400 -0.025 0.000 2.276 216 D HA -0.196 4.444 4.640 -0.000 0.000 0.200 216 D C 1.631 177.957 176.300 0.043 0.000 1.004 216 D CA 1.390 55.369 54.000 -0.035 0.000 0.898 216 D CB -0.001 40.766 40.800 -0.055 0.000 0.906 216 D HN 0.556 nan 8.370 nan 0.000 0.457 217 E N -1.051 119.170 120.200 0.035 0.000 2.162 217 E HA -0.016 4.333 4.350 -0.000 0.000 0.193 217 E C 1.897 178.514 176.600 0.029 0.000 0.953 217 E CA 0.532 56.950 56.400 0.030 0.000 0.849 217 E CB 0.355 30.062 29.700 0.011 0.000 0.810 217 E HN 0.125 nan 8.360 nan 0.000 0.470 218 T N 1.119 115.694 114.554 0.035 0.000 2.684 218 T HA -0.201 4.149 4.350 -0.000 0.000 0.267 218 T C 1.541 176.256 174.700 0.026 0.000 1.036 218 T CA 1.279 63.391 62.100 0.020 0.000 1.148 218 T CB -0.469 68.418 68.868 0.031 0.000 0.863 218 T HN 0.206 nan 8.240 nan 0.000 0.436 219 F N 2.127 122.029 119.950 -0.081 0.000 2.134 219 F HA -0.123 4.404 4.527 -0.000 0.000 0.299 219 F C 2.060 177.787 175.800 -0.121 0.000 1.097 219 F CA 1.348 59.291 58.000 -0.095 0.000 1.264 219 F CB -0.411 38.543 39.000 -0.078 0.000 1.001 219 F HN 0.142 nan 8.300 nan 0.000 0.479 220 N N 0.313 119.107 118.700 0.157 0.000 2.270 220 N HA -0.149 4.591 4.740 -0.000 0.000 0.181 220 N C 1.884 177.321 175.510 -0.123 0.000 1.016 220 N CA 0.955 54.032 53.050 0.045 0.000 0.870 220 N CB -0.078 38.456 38.487 0.078 0.000 0.979 220 N HN 0.392 nan 8.380 nan 0.000 0.431 221 L N 1.666 122.793 121.223 -0.159 0.000 2.072 221 L HA 0.082 4.422 4.340 -0.000 0.000 0.205 221 L C -1.116 175.535 176.870 -0.365 0.000 1.079 221 L CA 1.100 55.825 54.840 -0.191 0.000 0.752 221 L CB -0.958 41.015 42.059 -0.143 0.000 0.906 221 L HN -0.007 nan 8.230 nan 0.000 0.436 222 P HA -0.193 nan 4.420 nan 0.000 0.215 222 P C 1.306 178.326 177.300 -0.467 0.000 1.157 222 P CA 1.699 64.195 63.100 -1.007 0.000 0.868 222 P CB -0.202 30.936 31.700 -0.937 0.000 0.788 223 R N -0.385 119.898 120.500 -0.362 0.000 2.091 223 R HA -0.073 4.267 4.340 -0.000 0.000 0.238 223 R C 2.666 178.883 176.300 -0.138 0.000 1.136 223 R CA 1.141 57.099 56.100 -0.236 0.000 0.959 223 R CB -1.173 28.974 30.300 -0.255 0.000 0.856 223 R HN 0.216 nan 8.270 nan 0.000 0.437 224 L N -0.029 121.118 121.223 -0.126 0.000 2.079 224 L HA -0.273 4.067 4.340 -0.000 0.000 0.210 224 L C 2.542 179.390 176.870 -0.037 0.000 1.081 224 L CA 1.122 55.923 54.840 -0.065 0.000 0.752 224 L CB -0.412 41.614 42.059 -0.055 0.000 0.896 224 L HN 0.380 nan 8.230 nan 0.000 0.433 225 C N -0.474 118.798 119.300 -0.047 0.000 2.466 225 C HA -0.067 4.393 4.460 -0.000 0.000 0.278 225 C C 2.669 177.697 174.990 0.064 0.000 1.288 225 C CA 0.114 59.154 59.018 0.038 0.000 1.722 225 C CB -0.482 27.348 27.740 0.150 0.000 2.017 225 C HN 0.419 nan 8.230 nan 0.000 0.488 226 I N 0.594 121.192 120.570 0.046 0.000 2.286 226 I HA -0.189 3.981 4.170 -0.000 0.000 0.248 226 I C 2.720 178.932 176.117 0.159 0.000 1.115 226 I CA 1.460 62.827 61.300 0.113 0.000 1.392 226 I CB -0.381 37.635 38.000 0.026 0.000 1.065 226 I HN 0.303 nan 8.210 nan 0.000 0.418 227 R N 0.361 120.898 120.500 0.061 0.000 2.148 227 R HA -0.132 4.208 4.340 -0.000 0.000 0.223 227 R C 2.258 178.596 176.300 0.064 0.000 1.088 227 R CA 0.940 57.077 56.100 0.061 0.000 0.985 227 R CB -0.092 30.217 30.300 0.015 0.000 0.880 227 R HN 0.254 nan 8.270 nan 0.000 0.451 228 K N -0.183 120.236 120.400 0.031 0.000 2.137 228 K HA -0.062 4.258 4.320 -0.000 0.000 0.202 228 K C 1.657 178.189 176.600 -0.114 0.000 1.052 228 K CA 0.750 57.018 56.287 -0.032 0.000 0.961 228 K CB 0.028 32.503 32.500 -0.041 0.000 0.741 228 K HN 0.043 nan 8.250 nan 0.000 0.452 229 F N 0.472 120.270 119.950 -0.253 0.000 2.163 229 F HA 0.080 4.607 4.527 -0.000 0.000 0.297 229 F C -0.030 175.456 175.800 -0.524 0.000 1.094 229 F CA 0.786 58.473 58.000 -0.522 0.000 1.290 229 F CB 0.265 38.912 39.000 -0.588 0.000 1.017 229 F HN -0.183 nan 8.300 nan 0.000 0.483 230 F N 1.509 121.574 119.950 0.191 0.000 2.371 230 F HA 0.310 4.837 4.527 -0.000 0.000 0.363 230 F C -1.675 174.193 175.800 0.114 0.000 1.122 230 F CA -2.296 55.827 58.000 0.206 0.000 1.129 230 F CB 0.578 39.753 39.000 0.291 0.000 1.173 230 F HN -0.167 nan 8.300 nan 0.000 0.489 231 P HA -0.067 nan 4.420 nan 0.000 0.217 231 P C -0.385 177.031 177.300 0.193 0.000 1.154 231 P CA 1.261 64.450 63.100 0.148 0.000 0.841 231 P CB 0.341 32.109 31.700 0.114 0.000 0.788 232 K N -0.131 120.425 120.400 0.259 0.000 2.203 232 K HA 0.481 4.801 4.320 -0.000 0.000 0.251 232 K C -0.181 176.621 176.600 0.336 0.000 0.944 232 K CA -0.696 55.747 56.287 0.259 0.000 0.829 232 K CB 1.965 34.612 32.500 0.245 0.000 1.125 232 K HN -0.109 nan 8.250 nan 0.000 0.430 233 K N 1.820 122.393 120.400 0.287 0.000 2.477 233 K HA 0.532 4.852 4.320 -0.000 0.000 0.255 233 K C -1.231 175.493 176.600 0.206 0.000 0.952 233 K CA -1.162 55.322 56.287 0.329 0.000 0.826 233 K CB 2.306 34.989 32.500 0.305 0.000 1.331 233 K HN 0.236 nan 8.250 nan 0.000 0.437 234 K N 0.546 121.046 120.400 0.167 0.000 2.568 234 K HA 0.490 4.809 4.320 -0.000 0.000 0.273 234 K C -2.140 174.414 176.600 -0.077 0.000 0.951 234 K CA -0.559 55.677 56.287 -0.086 0.000 0.854 234 K CB 2.118 34.465 32.500 -0.254 0.000 1.424 234 K HN 0.765 nan 8.250 nan 0.000 0.427 235 C N 4.162 123.281 119.300 -0.302 0.000 2.535 235 C HA 0.808 5.268 4.460 -0.000 0.000 0.319 235 C C -1.705 173.007 174.990 -0.463 0.000 1.171 235 C CA -0.621 58.300 59.018 -0.163 0.000 1.394 235 C CB -0.193 27.506 27.740 -0.068 0.000 1.990 235 C HN 0.693 nan 8.230 nan 0.000 0.466 236 F N 4.583 124.511 119.950 -0.037 0.000 2.551 236 F HA 0.620 5.147 4.527 -0.000 0.000 0.316 236 F C 0.354 176.005 175.800 -0.249 0.000 1.089 236 F CA -0.673 57.203 58.000 -0.208 0.000 0.915 236 F CB 2.012 40.879 39.000 -0.221 0.000 1.186 236 F HN 0.621 nan 8.300 nan 0.000 0.456 237 V N -0.061 119.690 119.914 -0.273 0.000 2.713 237 V HA 0.679 4.799 4.120 -0.000 0.000 0.307 237 V C -1.150 174.728 176.094 -0.361 0.000 1.052 237 V CA -0.899 61.246 62.300 -0.257 0.000 0.967 237 V CB 1.665 33.145 31.823 -0.571 0.000 1.019 237 V HN 0.557 nan 8.190 nan 0.000 0.459 238 F N 0.801 120.835 119.950 0.140 0.000 2.539 238 F HA 0.540 5.067 4.527 -0.000 0.000 0.318 238 F C 0.100 176.084 175.800 0.305 0.000 1.135 238 F CA -0.730 57.393 58.000 0.204 0.000 0.915 238 F CB 1.452 40.569 39.000 0.195 0.000 1.176 238 F HN 0.536 nan 8.300 nan 0.000 0.440 239 D N 2.043 122.716 120.400 0.455 0.000 2.390 239 D HA 0.050 4.690 4.640 -0.000 0.000 0.236 239 D C 0.548 177.004 176.300 0.260 0.000 1.189 239 D CA -0.011 54.189 54.000 0.333 0.000 0.887 239 D CB 0.572 41.530 40.800 0.263 0.000 1.198 239 D HN 0.208 nan 8.370 nan 0.000 0.444 240 R N 1.695 122.246 120.500 0.085 0.000 2.478 240 R HA -0.091 4.249 4.340 -0.000 0.000 0.281 240 R C -1.638 174.471 176.300 -0.317 0.000 0.939 240 R CA -0.443 55.599 56.100 -0.097 0.000 1.120 240 R CB -0.061 30.191 30.300 -0.080 0.000 0.885 240 R HN 0.336 nan 8.270 nan 0.000 0.415 241 P HA -0.102 nan 4.420 nan 0.000 0.216 241 P C 0.062 177.018 177.300 -0.574 0.000 1.153 241 P CA 1.005 63.435 63.100 -1.117 0.000 0.848 241 P CB 0.221 31.256 31.700 -1.109 0.000 0.787 242 V N -5.253 114.390 119.914 -0.451 0.000 3.040 242 V HA 0.420 4.540 4.120 -0.000 0.000 0.312 242 V C 1.011 176.879 176.094 -0.376 0.000 1.115 242 V CA -0.690 61.379 62.300 -0.386 0.000 0.998 242 V CB 1.559 33.227 31.823 -0.258 0.000 1.042 242 V HN -0.079 nan 8.190 nan 0.000 0.433 243 H N 0.641 119.670 119.070 -0.069 0.000 2.355 243 H HA 0.261 4.817 4.556 -0.000 0.000 0.303 243 H C 1.049 176.344 175.328 -0.055 0.000 1.061 243 H CA 0.769 56.786 56.048 -0.051 0.000 1.368 243 H CB 0.103 29.846 29.762 -0.031 0.000 1.412 243 H HN 0.627 nan 8.280 nan 0.000 0.523 244 R N 1.600 122.120 120.500 0.034 0.000 2.627 244 R HA -0.210 4.130 4.340 -0.000 0.000 0.251 244 R C 1.273 177.553 176.300 -0.034 0.000 0.897 244 R CA 0.626 56.715 56.100 -0.018 0.000 1.053 244 R CB 0.357 30.624 30.300 -0.056 0.000 0.878 244 R HN 0.527 nan 8.270 nan 0.000 0.420 245 R N 1.761 122.242 120.500 -0.031 0.000 2.276 245 R HA 0.034 4.374 4.340 -0.000 0.000 0.203 245 R C 0.080 176.345 176.300 -0.059 0.000 1.017 245 R CA 0.996 57.072 56.100 -0.039 0.000 1.010 245 R CB 0.151 30.433 30.300 -0.030 0.000 0.900 245 R HN 0.316 nan 8.270 nan 0.000 0.469 246 K N 0.708 121.066 120.400 -0.069 0.000 2.375 246 K HA 0.324 4.644 4.320 -0.000 0.000 0.249 246 K C -0.370 176.162 176.600 -0.113 0.000 0.942 246 K CA -0.639 55.597 56.287 -0.085 0.000 0.806 246 K CB 2.165 34.623 32.500 -0.071 0.000 1.227 246 K HN -0.068 nan 8.250 nan 0.000 0.430 247 L N 1.814 122.956 121.223 -0.136 0.000 2.700 247 L HA 0.184 4.524 4.340 -0.000 0.000 0.234 247 L C 1.662 178.430 176.870 -0.170 0.000 1.156 247 L CA 0.078 54.810 54.840 -0.180 0.000 0.946 247 L CB 0.200 42.129 42.059 -0.217 0.000 1.216 247 L HN 0.771 nan 8.230 nan 0.000 0.493 248 A N -0.030 122.713 122.820 -0.128 0.000 1.978 248 A HA -0.201 4.119 4.320 -0.000 0.000 0.220 248 A C 2.046 179.562 177.584 -0.113 0.000 1.170 248 A CA 1.480 53.448 52.037 -0.115 0.000 0.636 248 A CB -0.171 18.777 19.000 -0.087 0.000 0.810 248 A HN 0.464 nan 8.150 nan 0.000 0.448 249 Q N -1.220 118.515 119.800 -0.108 0.000 2.220 249 Q HA 0.313 4.653 4.340 -0.000 0.000 0.205 249 Q C 1.297 177.239 176.000 -0.098 0.000 0.865 249 Q CA -0.301 55.450 55.803 -0.087 0.000 0.960 249 Q CB 0.329 29.029 28.738 -0.064 0.000 1.097 249 Q HN 0.489 nan 8.270 nan 0.000 0.493 250 L N 0.932 122.062 121.223 -0.155 0.000 2.042 250 L HA -0.204 4.136 4.340 -0.000 0.000 0.210 250 L C 1.798 178.611 176.870 -0.095 0.000 1.076 250 L CA 1.929 56.642 54.840 -0.212 0.000 0.749 250 L CB -0.210 41.593 42.059 -0.428 0.000 0.893 250 L HN 0.300 nan 8.230 nan 0.000 0.432 251 E N -0.220 119.947 120.200 -0.054 0.000 2.233 251 E HA -0.240 4.110 4.350 -0.000 0.000 0.199 251 E C 0.778 177.420 176.600 0.071 0.000 1.004 251 E CA 1.438 57.869 56.400 0.052 0.000 0.819 251 E CB 0.039 29.747 29.700 0.014 0.000 0.738 251 E HN 0.587 nan 8.360 nan 0.000 0.478 252 K N -0.234 120.183 120.400 0.028 0.000 2.896 252 K HA 0.271 4.591 4.320 -0.000 0.000 0.210 252 K C -0.486 176.132 176.600 0.029 0.000 1.116 252 K CA -0.162 56.144 56.287 0.031 0.000 1.050 252 K CB 0.363 32.870 32.500 0.012 0.000 0.812 252 K HN -0.067 nan 8.250 nan 0.000 0.462 253 L N 2.606 123.854 121.223 0.043 0.000 2.313 253 L HA 0.264 4.604 4.340 -0.000 0.000 0.283 253 L C 0.285 177.201 176.870 0.076 0.000 1.013 253 L CA -0.918 53.946 54.840 0.041 0.000 0.816 253 L CB 1.679 43.745 42.059 0.012 0.000 1.236 253 L HN 0.201 nan 8.230 nan 0.000 0.419 254 Q N 1.552 121.389 119.800 0.062 0.000 2.443 254 Q HA 0.073 4.413 4.340 -0.000 0.000 0.232 254 Q C -0.124 175.927 176.000 0.084 0.000 1.026 254 Q CA -0.698 55.148 55.803 0.071 0.000 0.924 254 Q CB 1.128 29.898 28.738 0.053 0.000 1.256 254 Q HN 0.500 nan 8.270 nan 0.000 0.519 255 D N 1.251 121.704 120.400 0.089 0.000 2.190 255 D HA -0.168 4.472 4.640 -0.000 0.000 0.200 255 D C 1.356 177.710 176.300 0.089 0.000 0.992 255 D CA 1.449 55.511 54.000 0.104 0.000 0.854 255 D CB 0.141 40.992 40.800 0.085 0.000 0.936 255 D HN 0.539 nan 8.370 nan 0.000 0.462 256 E N 0.389 120.629 120.200 0.067 0.000 2.268 256 E HA -0.090 4.260 4.350 -0.000 0.000 0.195 256 E C 1.488 178.121 176.600 0.054 0.000 0.995 256 E CA 0.578 57.013 56.400 0.058 0.000 0.836 256 E CB -0.013 29.715 29.700 0.046 0.000 0.763 256 E HN 0.428 nan 8.360 nan 0.000 0.491 257 E N -0.355 119.876 120.200 0.051 0.000 2.474 257 E HA 0.106 4.456 4.350 -0.000 0.000 0.194 257 E C 0.105 176.719 176.600 0.022 0.000 1.041 257 E CA -0.120 56.301 56.400 0.035 0.000 0.874 257 E CB 0.396 30.111 29.700 0.024 0.000 0.914 257 E HN 0.184 nan 8.360 nan 0.000 0.498 258 L N 1.118 122.370 121.223 0.048 0.000 2.431 258 L HA 0.177 4.517 4.340 -0.000 0.000 0.260 258 L C 0.623 177.511 176.870 0.031 0.000 1.098 258 L CA -0.855 54.005 54.840 0.034 0.000 0.800 258 L CB 0.534 42.688 42.059 0.157 0.000 1.210 258 L HN 0.028 nan 8.230 nan 0.000 0.465 259 D N 1.378 121.757 120.400 -0.035 0.000 2.450 259 D HA 0.016 4.656 4.640 -0.000 0.000 0.247 259 D C -1.909 174.487 176.300 0.160 0.000 1.162 259 D CA -1.186 52.828 54.000 0.023 0.000 0.879 259 D CB 1.711 42.460 40.800 -0.084 0.000 1.163 259 D HN 0.188 nan 8.370 nan 0.000 0.472 260 P HA -0.051 nan 4.420 nan 0.000 0.223 260 P C 0.870 178.241 177.300 0.119 0.000 1.151 260 P CA 0.753 63.927 63.100 0.122 0.000 0.787 260 P CB 0.324 32.083 31.700 0.098 0.000 0.788 261 E N -1.843 118.442 120.200 0.140 0.000 2.250 261 E HA -0.063 4.287 4.350 -0.000 0.000 0.192 261 E C 1.575 178.263 176.600 0.147 0.000 0.986 261 E CA 0.030 56.502 56.400 0.119 0.000 0.849 261 E CB -0.380 29.386 29.700 0.111 0.000 0.797 261 E HN 0.043 nan 8.360 nan 0.000 0.482 262 F N 0.767 120.763 119.950 0.077 0.000 2.095 262 F HA -0.231 4.296 4.527 -0.000 0.000 0.298 262 F C 1.863 177.734 175.800 0.119 0.000 1.104 262 F CA 1.309 59.380 58.000 0.118 0.000 1.232 262 F CB -0.414 38.649 39.000 0.104 0.000 0.987 262 F HN -0.131 nan 8.300 nan 0.000 0.475 263 V N 0.273 120.252 119.914 0.109 0.000 2.282 263 V HA -0.357 3.763 4.120 -0.000 0.000 0.249 263 V C 2.382 178.438 176.094 -0.063 0.000 1.057 263 V CA 2.281 64.585 62.300 0.006 0.000 1.032 263 V CB -0.929 30.950 31.823 0.092 0.000 0.645 263 V HN 0.381 nan 8.190 nan 0.000 0.447 264 Q N -0.039 119.746 119.800 -0.025 0.000 2.046 264 Q HA -0.210 4.130 4.340 -0.000 0.000 0.200 264 Q C 2.251 178.201 176.000 -0.084 0.000 0.975 264 Q CA 1.874 57.657 55.803 -0.033 0.000 0.836 264 Q CB -0.362 28.373 28.738 -0.004 0.000 0.896 264 Q HN 0.697 nan 8.270 nan 0.000 0.428 265 Q N -1.029 118.693 119.800 -0.130 0.000 2.096 265 Q HA -0.147 4.193 4.340 -0.000 0.000 0.204 265 Q C 2.074 177.932 176.000 -0.237 0.000 0.982 265 Q CA 1.827 57.483 55.803 -0.245 0.000 0.850 265 Q CB -0.115 28.420 28.738 -0.338 0.000 0.901 265 Q HN 0.252 nan 8.270 nan 0.000 0.422 266 V N 0.728 120.525 119.914 -0.195 0.000 2.343 266 V HA -0.304 3.816 4.120 -0.000 0.000 0.247 266 V C 2.212 178.269 176.094 -0.062 0.000 1.051 266 V CA 1.783 64.028 62.300 -0.092 0.000 1.036 266 V CB -1.023 30.597 31.823 -0.337 0.000 0.654 266 V HN 0.441 nan 8.190 nan 0.000 0.451 267 A N 0.074 122.841 122.820 -0.090 0.000 1.883 267 A HA -0.268 4.052 4.320 -0.000 0.000 0.217 267 A C 1.994 179.525 177.584 -0.088 0.000 1.186 267 A CA 2.140 54.136 52.037 -0.069 0.000 0.624 267 A CB -0.702 18.276 19.000 -0.036 0.000 0.822 267 A HN 0.540 nan 8.150 nan 0.000 0.444 268 D N -1.084 119.270 120.400 -0.076 0.000 2.123 268 D HA -0.143 4.497 4.640 -0.000 0.000 0.196 268 D C 1.614 177.803 176.300 -0.185 0.000 0.992 268 D CA 1.426 55.395 54.000 -0.051 0.000 0.833 268 D CB -0.497 40.316 40.800 0.023 0.000 0.954 268 D HN 0.504 nan 8.370 nan 0.000 0.455 269 F N 1.433 121.041 119.950 -0.569 0.000 2.051 269 F HA -0.247 4.280 4.527 -0.000 0.000 0.296 269 F C 2.331 177.786 175.800 -0.576 0.000 1.122 269 F CA 1.302 58.725 58.000 -0.962 0.000 1.201 269 F CB -0.609 37.986 39.000 -0.674 0.000 0.978 269 F HN -0.023 nan 8.300 nan 0.000 0.472 270 C N -0.002 118.961 119.300 -0.562 0.000 2.385 270 C HA -0.234 4.226 4.460 -0.000 0.000 0.275 270 C C 3.289 177.615 174.990 -1.106 0.000 1.207 270 C CA 1.774 60.212 59.018 -0.966 0.000 1.760 270 C CB -1.607 25.758 27.740 -0.625 0.000 2.051 270 C HN 0.747 nan 8.230 nan 0.000 0.467 271 S N -0.952 114.442 115.700 -0.509 0.000 2.382 271 S HA -0.219 4.251 4.470 -0.000 0.000 0.228 271 S C 1.788 176.303 174.600 -0.141 0.000 1.027 271 S CA 1.614 59.687 58.200 -0.212 0.000 0.991 271 S CB -0.597 62.579 63.200 -0.039 0.000 0.823 271 S HN 0.693 nan 8.310 nan 0.000 0.469 272 Y N 1.743 121.882 120.300 -0.268 0.000 2.145 272 Y HA -0.060 4.490 4.550 -0.000 0.000 0.286 272 Y C 2.034 177.807 175.900 -0.213 0.000 1.145 272 Y CA 1.782 59.802 58.100 -0.133 0.000 1.148 272 Y CB -0.327 38.178 38.460 0.074 0.000 0.981 272 Y HN 0.232 nan 8.280 nan 0.000 0.507 273 I N 0.034 120.362 120.570 -0.403 0.000 2.163 273 I HA -0.348 3.822 4.170 -0.000 0.000 0.243 273 I C 2.415 178.404 176.117 -0.214 0.000 1.085 273 I CA 1.746 62.791 61.300 -0.426 0.000 1.347 273 I CB -1.652 35.932 38.000 -0.693 0.000 1.044 273 I HN 0.310 nan 8.210 nan 0.000 0.408 274 F N 0.872 120.689 119.950 -0.221 0.000 2.161 274 F HA -0.220 4.307 4.527 -0.000 0.000 0.300 274 F C 2.668 178.453 175.800 -0.024 0.000 1.089 274 F CA 0.960 58.888 58.000 -0.120 0.000 1.282 274 F CB -0.349 38.585 39.000 -0.111 0.000 1.010 274 F HN 0.049 nan 8.300 nan 0.000 0.485 275 S N -0.702 115.026 115.700 0.046 0.000 2.446 275 S HA -0.035 4.435 4.470 -0.000 0.000 0.225 275 S C 1.436 175.968 174.600 -0.114 0.000 1.016 275 S CA 0.630 58.814 58.200 -0.027 0.000 0.943 275 S CB -0.051 63.118 63.200 -0.052 0.000 0.786 275 S HN 0.367 nan 8.310 nan 0.000 0.508 276 N N 0.359 118.918 118.700 -0.235 0.000 2.445 276 N HA 0.174 4.914 4.740 -0.000 0.000 0.204 276 N C -0.297 175.116 175.510 -0.162 0.000 1.098 276 N CA 0.122 52.989 53.050 -0.305 0.000 0.859 276 N CB 0.291 38.328 38.487 -0.751 0.000 1.249 276 N HN 0.082 nan 8.380 nan 0.000 0.462 277 S N 2.630 118.264 115.700 -0.110 0.000 2.525 277 S HA 0.028 4.498 4.470 -0.000 0.000 0.285 277 S C 0.542 175.173 174.600 0.051 0.000 1.283 277 S CA 0.017 58.223 58.200 0.010 0.000 1.072 277 S CB 0.438 63.663 63.200 0.042 0.000 0.867 277 S HN 0.223 nan 8.310 nan 0.000 0.492 278 K N 1.924 122.368 120.400 0.073 0.000 2.098 278 K HA 0.298 4.618 4.320 -0.000 0.000 0.257 278 K C -0.359 176.302 176.600 0.101 0.000 0.999 278 K CA -0.658 55.671 56.287 0.070 0.000 0.924 278 K CB 0.202 32.754 32.500 0.086 0.000 1.028 278 K HN 0.320 nan 8.250 nan 0.000 0.466 279 T N 2.059 116.673 114.554 0.099 0.000 2.934 279 T HA -0.038 4.312 4.350 -0.000 0.000 0.306 279 T C 0.123 174.903 174.700 0.134 0.000 1.042 279 T CA 0.062 62.249 62.100 0.145 0.000 1.145 279 T CB 0.394 69.366 68.868 0.174 0.000 0.982 279 T HN 0.514 nan 8.240 nan 0.000 0.544 280 K N 2.176 122.660 120.400 0.141 0.000 2.382 280 K HA 0.254 4.574 4.320 -0.000 0.000 0.275 280 K C -0.131 176.536 176.600 0.112 0.000 1.009 280 K CA 0.206 56.576 56.287 0.139 0.000 0.970 280 K CB 0.523 33.110 32.500 0.144 0.000 0.934 280 K HN 0.566 nan 8.250 nan 0.000 0.479 281 T N 4.261 118.887 114.554 0.120 0.000 2.952 281 T HA 0.419 4.769 4.350 -0.000 0.000 0.305 281 T C -0.880 173.844 174.700 0.040 0.000 1.064 281 T CA -0.744 61.404 62.100 0.080 0.000 1.008 281 T CB 0.491 69.419 68.868 0.100 0.000 1.078 281 T HN 0.469 nan 8.240 nan 0.000 0.459 282 L N 2.502 123.688 121.223 -0.062 0.000 2.456 282 L HA 0.481 4.821 4.340 -0.000 0.000 0.257 282 L C 1.023 177.648 176.870 -0.408 0.000 1.162 282 L CA -0.830 53.880 54.840 -0.217 0.000 0.808 282 L CB 0.949 42.906 42.059 -0.170 0.000 1.136 282 L HN 0.729 nan 8.230 nan 0.000 0.466 283 S N 0.241 115.461 115.700 -0.800 0.000 2.498 283 S HA 0.428 4.898 4.470 -0.000 0.000 0.281 283 S C 0.816 175.214 174.600 -0.337 0.000 1.265 283 S CA 0.053 57.783 58.200 -0.783 0.000 1.071 283 S CB 0.833 63.417 63.200 -1.026 0.000 0.894 283 S HN 1.028 nan 8.310 nan 0.000 0.491 284 G N 2.469 111.153 108.800 -0.193 0.000 2.307 284 G HA2 0.160 4.120 3.960 -0.000 0.000 0.210 284 G HA3 0.160 4.120 3.960 -0.000 0.000 0.210 284 G C 1.022 175.880 174.900 -0.070 0.000 1.005 284 G CA 0.349 45.384 45.100 -0.108 0.000 0.634 284 G HN 2.320 nan 8.290 nan 0.000 0.496 285 G N -0.338 108.417 108.800 -0.075 0.000 2.184 285 G HA2 -0.153 3.807 3.960 -0.000 0.000 0.206 285 G HA3 -0.153 3.807 3.960 -0.000 0.000 0.206 285 G C 0.420 175.306 174.900 -0.024 0.000 0.995 285 G CA 0.174 45.258 45.100 -0.026 0.000 0.651 285 G HN 1.261 nan 8.290 nan 0.000 0.511 286 I N 1.709 122.250 120.570 -0.047 0.000 2.618 286 I HA 0.126 4.296 4.170 -0.000 0.000 0.284 286 I C 1.027 177.130 176.117 -0.023 0.000 1.146 286 I CA 0.219 61.496 61.300 -0.038 0.000 1.425 286 I CB 0.667 38.635 38.000 -0.052 0.000 1.383 286 I HN 0.198 nan 8.210 nan 0.000 0.562 287 Q N 4.301 124.095 119.800 -0.010 0.000 2.314 287 Q HA 0.275 4.615 4.340 -0.000 0.000 0.258 287 Q C -0.760 175.241 176.000 0.001 0.000 0.954 287 Q CA -0.474 55.333 55.803 0.007 0.000 0.890 287 Q CB 1.782 30.524 28.738 0.006 0.000 1.210 287 Q HN 0.433 nan 8.270 nan 0.000 0.410 288 V N 4.905 124.833 119.914 0.022 0.000 2.408 288 V HA 0.071 4.191 4.120 -0.000 0.000 0.267 288 V C 0.208 176.315 176.094 0.021 0.000 1.047 288 V CA -0.331 61.983 62.300 0.022 0.000 0.937 288 V CB 0.179 32.032 31.823 0.051 0.000 0.999 288 V HN 0.804 nan 8.190 nan 0.000 0.472 289 N N 4.510 123.211 118.700 0.002 0.000 2.776 289 N HA 0.422 5.162 4.740 -0.000 0.000 0.319 289 N C 1.313 176.829 175.510 0.009 0.000 1.316 289 N CA -0.072 52.978 53.050 -0.001 0.000 0.890 289 N CB 0.324 38.797 38.487 -0.023 0.000 1.165 289 N HN 0.348 nan 8.380 nan 0.000 0.596 290 G N -0.135 108.669 108.800 0.006 0.000 2.545 290 G HA2 -0.158 3.802 3.960 -0.000 0.000 0.217 290 G HA3 -0.158 3.802 3.960 -0.000 0.000 0.217 290 G C -0.961 173.945 174.900 0.010 0.000 1.218 290 G CA 1.031 46.141 45.100 0.016 0.000 0.787 290 G HN 0.539 nan 8.290 nan 0.000 0.571 291 P HA -0.050 nan 4.420 nan 0.000 0.218 291 P C 1.881 179.171 177.300 -0.017 0.000 1.148 291 P CA 1.078 64.173 63.100 -0.009 0.000 0.822 291 P CB -0.031 31.660 31.700 -0.014 0.000 0.784 292 R N -1.500 118.991 120.500 -0.016 0.000 2.119 292 R HA 0.027 4.367 4.340 -0.000 0.000 0.222 292 R C 2.088 178.377 176.300 -0.019 0.000 1.088 292 R CA 0.526 56.610 56.100 -0.026 0.000 0.984 292 R CB -0.994 29.291 30.300 -0.025 0.000 0.884 292 R HN 0.159 nan 8.270 nan 0.000 0.447 293 L N 1.705 122.933 121.223 0.008 0.000 2.056 293 L HA -0.128 4.212 4.340 -0.000 0.000 0.207 293 L C 2.312 179.191 176.870 0.014 0.000 1.078 293 L CA 1.771 56.629 54.840 0.030 0.000 0.749 293 L CB -0.448 41.647 42.059 0.060 0.000 0.901 293 L HN 0.156 nan 8.230 nan 0.000 0.433 294 E N -1.356 118.848 120.200 0.006 0.000 2.118 294 E HA -0.278 4.072 4.350 -0.000 0.000 0.195 294 E C 2.190 178.771 176.600 -0.031 0.000 0.992 294 E CA 1.472 57.870 56.400 -0.004 0.000 0.804 294 E CB -0.146 29.552 29.700 -0.004 0.000 0.741 294 E HN 0.535 nan 8.360 nan 0.000 0.458 295 S N -0.303 115.366 115.700 -0.050 0.000 2.406 295 S HA -0.036 4.434 4.470 -0.000 0.000 0.228 295 S C 2.041 176.551 174.600 -0.149 0.000 1.020 295 S CA 0.402 58.552 58.200 -0.085 0.000 0.965 295 S CB -0.157 62.994 63.200 -0.081 0.000 0.798 295 S HN 0.328 nan 8.310 nan 0.000 0.488 296 L N 0.982 122.108 121.223 -0.162 0.000 1.994 296 L HA -0.061 4.279 4.340 -0.000 0.000 0.208 296 L C 2.585 179.308 176.870 -0.245 0.000 1.071 296 L CA 1.260 55.911 54.840 -0.315 0.000 0.745 296 L CB -0.823 41.142 42.059 -0.157 0.000 0.892 296 L HN 0.215 nan 8.230 nan 0.000 0.431 297 V N 0.430 120.321 119.914 -0.038 0.000 2.250 297 V HA -0.361 3.759 4.120 -0.000 0.000 0.250 297 V C 2.439 178.536 176.094 0.005 0.000 1.060 297 V CA 2.098 64.425 62.300 0.045 0.000 1.030 297 V CB -0.469 31.381 31.823 0.046 0.000 0.643 297 V HN 0.338 nan 8.190 nan 0.000 0.445 298 L N -0.835 120.362 121.223 -0.044 0.000 2.017 298 L HA -0.177 4.163 4.340 -0.000 0.000 0.208 298 L C 2.662 179.492 176.870 -0.067 0.000 1.073 298 L CA 2.103 56.915 54.840 -0.047 0.000 0.745 298 L CB -1.055 40.972 42.059 -0.052 0.000 0.894 298 L HN 0.337 nan 8.230 nan 0.000 0.432 299 T N -0.981 113.489 114.554 -0.140 0.000 2.624 299 T HA -0.277 4.073 4.350 -0.000 0.000 0.268 299 T C 1.705 176.367 174.700 -0.063 0.000 1.041 299 T CA 1.903 63.900 62.100 -0.172 0.000 1.159 299 T CB -0.451 68.212 68.868 -0.341 0.000 0.863 299 T HN 0.339 nan 8.240 nan 0.000 0.434 300 Y N 0.102 120.395 120.300 -0.012 0.000 2.286 300 Y HA -0.032 4.518 4.550 -0.000 0.000 0.293 300 Y C 2.656 178.522 175.900 -0.057 0.000 1.124 300 Y CA -0.131 57.961 58.100 -0.013 0.000 1.178 300 Y CB -0.141 38.334 38.460 0.025 0.000 1.010 300 Y HN 0.005 nan 8.280 nan 0.000 0.536 301 V N 0.499 120.471 119.914 0.097 0.000 2.358 301 V HA -0.292 3.828 4.120 -0.000 0.000 0.246 301 V C 1.720 177.777 176.094 -0.062 0.000 1.047 301 V CA 1.823 64.117 62.300 -0.010 0.000 1.035 301 V CB -0.560 31.259 31.823 -0.007 0.000 0.658 301 V HN 0.449 nan 8.190 nan 0.000 0.452 302 N N 0.917 119.594 118.700 -0.039 0.000 2.069 302 N HA -0.135 4.605 4.740 -0.000 0.000 0.191 302 N C 1.888 177.361 175.510 -0.062 0.000 1.031 302 N CA 1.761 54.780 53.050 -0.051 0.000 0.852 302 N CB -0.693 37.770 38.487 -0.039 0.000 1.018 302 N HN 0.475 nan 8.380 nan 0.000 0.423 303 A N 0.549 123.350 122.820 -0.031 0.000 1.978 303 A HA -0.080 4.240 4.320 -0.000 0.000 0.220 303 A C 2.268 179.774 177.584 -0.129 0.000 1.170 303 A CA 1.010 53.030 52.037 -0.029 0.000 0.636 303 A CB -0.591 18.444 19.000 0.059 0.000 0.810 303 A HN 0.260 nan 8.150 nan 0.000 0.448 304 I N -1.065 119.360 120.570 -0.242 0.000 2.480 304 I HA -0.113 4.057 4.170 -0.000 0.000 0.251 304 I C 2.353 178.199 176.117 -0.453 0.000 1.124 304 I CA 0.966 61.924 61.300 -0.570 0.000 1.444 304 I CB -0.082 37.442 38.000 -0.793 0.000 1.098 304 I HN 0.145 nan 8.210 nan 0.000 0.428 305 S N 0.218 115.760 115.700 -0.263 0.000 2.500 305 S HA -0.104 4.366 4.470 -0.000 0.000 0.239 305 S C 1.951 176.483 174.600 -0.114 0.000 0.989 305 S CA 0.929 59.026 58.200 -0.171 0.000 0.951 305 S CB -0.139 62.995 63.200 -0.109 0.000 0.759 305 S HN 0.373 nan 8.310 nan 0.000 0.523 306 S N 0.283 115.918 115.700 -0.108 0.000 2.365 306 S HA 0.400 4.870 4.470 -0.000 0.000 0.194 306 S C 1.048 175.632 174.600 -0.026 0.000 1.093 306 S CA 0.597 58.765 58.200 -0.053 0.000 1.224 306 S CB -0.283 62.895 63.200 -0.037 0.000 0.961 306 S HN 0.583 nan 8.310 nan 0.000 0.412 307 G N 1.331 110.128 108.800 -0.004 0.000 2.864 307 G HA2 0.335 4.295 3.960 -0.000 0.000 0.223 307 G HA3 0.335 4.295 3.960 -0.000 0.000 0.223 307 G C -0.591 174.358 174.900 0.082 0.000 3.561 307 G CA 0.064 45.196 45.100 0.053 0.000 0.548 307 G HN 0.382 nan 8.290 nan 0.000 0.377 308 D N 1.295 121.782 120.400 0.145 0.000 2.932 308 D HA 0.219 4.859 4.640 -0.000 0.000 0.294 308 D C 1.360 177.770 176.300 0.182 0.000 1.119 308 D CA -0.195 53.896 54.000 0.152 0.000 0.980 308 D CB -0.358 40.522 40.800 0.134 0.000 1.361 308 D HN 0.776 nan 8.370 nan 0.000 0.466 309 L N 0.000 121.413 121.223 0.316 0.000 2.949 309 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 309 L CA 0.000 54.935 54.840 0.159 0.000 0.813 309 L CB 0.000 42.093 42.059 0.056 0.000 0.961 309 L HN 0.000 nan 8.230 nan 0.000 0.502