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 3iss_1_G DATA FIRST_RESID 1 DATA SEQUENCE MDKFRVQGPT KLQGEVTISG AKNAALPILF AALLAEEPVE IQNVPKLKDV DATA SEQUENCE DTSMKLLSQL GAKVERDGSV HIDARDVNVF CAPYDLVKTM RASIWALGPL DATA SEQUENCE VARFGQGQVS LPGGCTIGAR PVDLHISGLE QLGATIKLEE GYVKASVDGR DATA SEQUENCE LKGAHIVMDK VSVGATVTIM CAATLAEGTT IIENAAREPE IVDTANFLIT DATA SEQUENCE LGAKISGQGT DRIVIEGVER LGGGVYRVLP DRIETGTFLV AAAISRGKII DATA SEQUENCE CRNAQPDTLD AVLAKLRDAG ADIEVGEDWI SLDMHGKRPK AVNVRTAPHP DATA SEQUENCE AFPTDMQAQF TLLNLVAEGT GFITETVFEN RFMHVPELSR MGAHAEIESN DATA SEQUENCE TVICHGVEKL SGAQVMATDL RASASLVLAG CIAEGTTVVD RIYHIDRGYE DATA SEQUENCE RIEDKLRALG ANIERVKG 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.294 176.300 -0.011 0.000 1.140 1 M CA 0.000 55.297 55.300 -0.005 0.000 0.988 1 M CB 0.000 32.606 32.600 0.010 0.000 1.302 2 D N 2.728 123.112 120.400 -0.027 0.000 2.400 2 D HA 0.412 5.052 4.640 0.000 0.000 0.238 2 D C 0.078 176.308 176.300 -0.117 0.000 1.157 2 D CA 0.670 54.625 54.000 -0.075 0.000 0.889 2 D CB 1.147 41.878 40.800 -0.114 0.000 1.199 2 D HN 0.313 nan 8.370 nan 0.000 0.436 3 K N 0.299 120.616 120.400 -0.139 0.000 2.482 3 K HA 0.465 4.785 4.320 0.000 0.000 0.257 3 K C -1.099 175.424 176.600 -0.128 0.000 0.969 3 K CA -0.828 55.381 56.287 -0.131 0.000 0.842 3 K CB 1.609 34.096 32.500 -0.021 0.000 1.359 3 K HN 0.134 nan 8.250 nan 0.000 0.441 4 F N 1.599 121.557 119.950 0.013 0.000 2.427 4 F HA 0.395 4.922 4.527 0.000 0.000 0.346 4 F C 0.402 176.205 175.800 0.005 0.000 1.120 4 F CA -0.836 57.168 58.000 0.006 0.000 1.033 4 F CB 1.372 40.370 39.000 -0.003 0.000 1.126 4 F HN 0.265 nan 8.300 nan 0.000 0.462 5 R N 3.327 123.959 120.500 0.221 0.000 2.294 5 R HA 0.743 5.083 4.340 0.000 0.000 0.319 5 R C -1.921 174.421 176.300 0.071 0.000 0.984 5 R CA -0.335 55.833 56.100 0.113 0.000 0.861 5 R CB 1.076 31.423 30.300 0.078 0.000 1.104 5 R HN 0.509 nan 8.270 nan 0.000 0.451 6 V N 4.435 124.374 119.914 0.042 0.000 2.656 6 V HA 0.341 4.461 4.120 0.000 0.000 0.307 6 V C -0.669 175.425 176.094 -0.000 0.000 1.051 6 V CA -0.921 61.380 62.300 0.002 0.000 0.893 6 V CB 1.953 33.766 31.823 -0.017 0.000 0.999 6 V HN 0.743 nan 8.190 nan 0.000 0.426 7 Q N 2.435 122.229 119.800 -0.010 0.000 2.331 7 Q HA 0.731 5.071 4.340 0.000 0.000 0.267 7 Q C 0.001 175.993 176.000 -0.014 0.000 1.006 7 Q CA -0.231 55.568 55.803 -0.007 0.000 0.818 7 Q CB 2.657 31.392 28.738 -0.005 0.000 1.276 7 Q HN 1.009 nan 8.270 nan 0.000 0.450 8 G N 2.361 111.154 108.800 -0.011 0.000 2.727 8 G HA2 0.686 4.646 3.960 0.000 0.000 0.289 8 G HA3 0.686 4.646 3.960 0.000 0.000 0.289 8 G C -2.916 171.978 174.900 -0.010 0.000 1.418 8 G CA -1.092 44.000 45.100 -0.014 0.000 0.818 8 G HN 0.287 nan 8.290 nan 0.000 0.486 9 P HA 0.423 nan 4.420 nan 0.000 0.277 9 P C -0.751 176.540 177.300 -0.014 0.000 1.240 9 P CA 0.032 63.124 63.100 -0.014 0.000 0.798 9 P CB 1.887 33.580 31.700 -0.011 0.000 0.979 10 T N 0.201 114.745 114.554 -0.018 0.000 3.041 10 T HA 0.305 4.655 4.350 0.000 0.000 0.321 10 T C -1.173 173.515 174.700 -0.019 0.000 1.184 10 T CA -0.750 61.339 62.100 -0.018 0.000 1.050 10 T CB 0.936 69.791 68.868 -0.022 0.000 1.159 10 T HN 0.399 nan 8.240 nan 0.000 0.469 11 K N 5.344 125.734 120.400 -0.016 0.000 2.253 11 K HA 0.553 4.873 4.320 0.000 0.000 0.277 11 K C -0.578 176.012 176.600 -0.016 0.000 1.053 11 K CA -0.601 55.677 56.287 -0.016 0.000 0.892 11 K CB 0.299 32.791 32.500 -0.013 0.000 1.102 11 K HN 0.511 nan 8.250 nan 0.000 0.469 12 L N 6.196 127.411 121.223 -0.014 0.000 2.315 12 L HA 0.235 4.575 4.340 0.000 0.000 0.283 12 L C -0.040 176.824 176.870 -0.010 0.000 1.089 12 L CA -0.145 54.690 54.840 -0.008 0.000 0.833 12 L CB 0.468 42.531 42.059 0.007 0.000 1.170 12 L HN 0.759 nan 8.230 nan 0.000 0.442 13 Q N 2.659 122.449 119.800 -0.017 0.000 2.482 13 Q HA 0.861 5.201 4.340 0.000 0.000 0.286 13 Q C -0.299 175.681 176.000 -0.034 0.000 1.007 13 Q CA -0.587 55.202 55.803 -0.024 0.000 0.801 13 Q CB 2.821 31.544 28.738 -0.025 0.000 1.455 13 Q HN 0.641 nan 8.270 nan 0.000 0.398 14 G N 0.822 109.598 108.800 -0.040 0.000 2.250 14 G HA2 0.047 4.007 3.960 0.000 0.000 0.196 14 G HA3 0.047 4.007 3.960 0.000 0.000 0.196 14 G C -1.493 173.370 174.900 -0.062 0.000 1.308 14 G CA -0.034 45.035 45.100 -0.052 0.000 1.207 14 G HN 1.094 nan 8.290 nan 0.000 0.505 15 E N -1.972 118.180 120.200 -0.080 0.000 2.433 15 E HA 0.782 5.132 4.350 0.000 0.000 0.273 15 E C -1.511 175.003 176.600 -0.143 0.000 0.950 15 E CA -0.990 55.355 56.400 -0.093 0.000 0.796 15 E CB 2.665 32.317 29.700 -0.080 0.000 1.330 15 E HN 1.561 nan 8.360 nan 0.000 0.455 16 V N 0.291 120.106 119.914 -0.165 0.000 3.048 16 V HA 0.449 4.569 4.120 0.000 0.000 0.303 16 V C -1.480 174.516 176.094 -0.164 0.000 1.214 16 V CA -0.298 61.848 62.300 -0.256 0.000 0.984 16 V CB 2.525 34.012 31.823 -0.560 0.000 1.054 16 V HN 0.883 nan 8.190 nan 0.000 0.430 17 T N 7.331 121.801 114.554 -0.140 0.000 2.767 17 T HA 0.533 4.883 4.350 0.000 0.000 0.284 17 T C -0.182 174.491 174.700 -0.045 0.000 0.973 17 T CA -0.245 61.815 62.100 -0.066 0.000 0.996 17 T CB 0.640 69.483 68.868 -0.043 0.000 0.927 17 T HN 0.467 nan 8.240 nan 0.000 0.456 18 I N 3.283 123.854 120.570 0.002 0.000 2.496 18 I HA 0.165 4.335 4.170 0.000 0.000 0.285 18 I C 1.172 177.318 176.117 0.047 0.000 1.080 18 I CA -0.052 61.278 61.300 0.050 0.000 1.404 18 I CB 0.374 38.417 38.000 0.071 0.000 1.403 18 I HN 0.572 nan 8.210 nan 0.000 0.539 19 S N 4.139 119.880 115.700 0.070 0.000 2.624 19 S HA 0.436 4.906 4.470 0.000 0.000 0.263 19 S C 0.714 175.335 174.600 0.036 0.000 1.287 19 S CA -0.541 57.689 58.200 0.051 0.000 0.990 19 S CB 0.972 64.213 63.200 0.068 0.000 0.950 19 S HN 0.850 nan 8.310 nan 0.000 0.561 20 G N 0.107 108.919 108.800 0.019 0.000 2.554 20 G HA2 0.435 4.395 3.960 0.000 0.000 0.238 20 G HA3 0.435 4.395 3.960 0.000 0.000 0.238 20 G C -0.065 174.838 174.900 0.005 0.000 1.259 20 G CA -0.375 44.729 45.100 0.007 0.000 0.843 20 G HN 0.909 nan 8.290 nan 0.000 0.582 21 A N 1.571 124.391 122.820 0.001 0.000 2.484 21 A HA 0.234 4.554 4.320 0.000 0.000 0.268 21 A C 1.665 179.244 177.584 -0.008 0.000 1.114 21 A CA 0.218 52.251 52.037 -0.007 0.000 0.780 21 A CB 0.194 19.189 19.000 -0.007 0.000 1.061 21 A HN 0.912 nan 8.150 nan 0.000 0.505 22 K N 2.518 122.907 120.400 -0.019 0.000 2.074 22 K HA -0.208 4.112 4.320 0.000 0.000 0.209 22 K C 0.568 177.186 176.600 0.029 0.000 1.048 22 K CA 2.087 58.369 56.287 -0.010 0.000 0.926 22 K CB -0.082 32.389 32.500 -0.047 0.000 0.713 22 K HN 0.709 nan 8.250 nan 0.000 0.444 23 N N -0.186 118.534 118.700 0.033 0.000 2.383 23 N HA 0.044 4.784 4.740 0.000 0.000 0.192 23 N C 0.681 176.231 175.510 0.067 0.000 1.141 23 N CA 0.670 53.776 53.050 0.094 0.000 0.851 23 N CB 0.733 39.277 38.487 0.094 0.000 0.976 23 N HN 0.341 nan 8.380 nan 0.000 0.465 24 A N 0.114 122.942 122.820 0.013 0.000 1.963 24 A HA 0.397 4.717 4.320 0.000 0.000 0.207 24 A C 2.193 179.738 177.584 -0.065 0.000 1.243 24 A CA 0.809 52.828 52.037 -0.030 0.000 0.728 24 A CB -0.531 18.461 19.000 -0.013 0.000 0.895 24 A HN 0.174 nan 8.150 nan 0.000 0.467 25 A N 0.096 122.892 122.820 -0.040 0.000 1.892 25 A HA -0.128 4.192 4.320 0.000 0.000 0.218 25 A C 2.047 179.593 177.584 -0.064 0.000 1.188 25 A CA 1.927 53.922 52.037 -0.070 0.000 0.631 25 A CB -0.680 18.296 19.000 -0.040 0.000 0.822 25 A HN 0.398 nan 8.150 nan 0.000 0.447 26 L N -0.135 121.118 121.223 0.049 0.000 1.994 26 L HA -0.080 4.260 4.340 0.000 0.000 0.208 26 L C -0.459 176.535 176.870 0.207 0.000 1.071 26 L CA 2.507 57.471 54.840 0.206 0.000 0.745 26 L CB -1.255 41.053 42.059 0.415 0.000 0.892 26 L HN 0.228 nan 8.230 nan 0.000 0.431 27 P HA -0.111 nan 4.420 nan 0.000 0.217 27 P C 2.044 179.175 177.300 -0.283 0.000 1.150 27 P CA 1.410 64.193 63.100 -0.529 0.000 0.832 27 P CB 0.066 31.269 31.700 -0.828 0.000 0.787 28 I N -1.430 118.959 120.570 -0.302 0.000 2.202 28 I HA -0.222 3.948 4.170 0.000 0.000 0.242 28 I C 2.045 177.908 176.117 -0.423 0.000 1.091 28 I CA 1.126 62.124 61.300 -0.504 0.000 1.368 28 I CB -0.721 36.844 38.000 -0.725 0.000 1.058 28 I HN -0.135 nan 8.210 nan 0.000 0.410 29 L N -0.163 120.872 121.223 -0.314 0.000 2.081 29 L HA -0.232 4.108 4.340 0.000 0.000 0.212 29 L C 2.115 178.811 176.870 -0.290 0.000 1.080 29 L CA 2.109 56.760 54.840 -0.316 0.000 0.754 29 L CB -0.783 41.050 42.059 -0.377 0.000 0.893 29 L HN 0.121 nan 8.230 nan 0.000 0.433 30 F N -1.511 118.411 119.950 -0.046 0.000 2.416 30 F HA 0.059 4.586 4.527 0.000 0.000 0.296 30 F C 2.309 178.123 175.800 0.023 0.000 1.099 30 F CA 0.677 58.692 58.000 0.025 0.000 1.427 30 F CB -0.763 38.287 39.000 0.084 0.000 1.079 30 F HN 0.012 nan 8.300 nan 0.000 0.536 31 A N 0.036 122.932 122.820 0.126 0.000 2.014 31 A HA 0.052 4.372 4.320 0.000 0.000 0.218 31 A C 2.374 180.104 177.584 0.244 0.000 1.163 31 A CA 1.229 53.364 52.037 0.163 0.000 0.652 31 A CB -1.047 18.061 19.000 0.179 0.000 0.808 31 A HN 0.250 nan 8.150 nan 0.000 0.449 32 A N 0.010 122.961 122.820 0.217 0.000 2.024 32 A HA -0.072 4.248 4.320 0.000 0.000 0.220 32 A C 1.957 179.640 177.584 0.165 0.000 1.164 32 A CA 1.334 53.506 52.037 0.225 0.000 0.643 32 A CB -0.616 18.460 19.000 0.128 0.000 0.806 32 A HN 0.500 nan 8.150 nan 0.000 0.451 33 L N -0.810 120.515 121.223 0.170 0.000 2.349 33 L HA -0.159 4.181 4.340 0.000 0.000 0.220 33 L C 2.112 179.103 176.870 0.202 0.000 1.130 33 L CA 0.615 55.582 54.840 0.211 0.000 0.791 33 L CB -0.388 41.831 42.059 0.266 0.000 0.918 33 L HN 0.416 nan 8.230 nan 0.000 0.444 34 L N -0.590 120.716 121.223 0.139 0.000 2.341 34 L HA 0.079 4.419 4.340 0.000 0.000 0.214 34 L C 1.438 178.322 176.870 0.024 0.000 1.115 34 L CA -0.263 54.614 54.840 0.061 0.000 0.820 34 L CB -0.340 41.739 42.059 0.034 0.000 0.944 34 L HN 0.137 nan 8.230 nan 0.000 0.452 35 A N 0.240 123.092 122.820 0.054 0.000 2.401 35 A HA 0.130 4.450 4.320 0.000 0.000 0.259 35 A C 0.913 178.517 177.584 0.034 0.000 1.103 35 A CA -0.193 51.858 52.037 0.023 0.000 0.789 35 A CB 0.296 19.323 19.000 0.045 0.000 1.035 35 A HN 0.290 nan 8.150 nan 0.000 0.491 36 E N 0.615 120.819 120.200 0.007 0.000 2.460 36 E HA 0.045 4.395 4.350 0.000 0.000 0.200 36 E C -0.205 176.409 176.600 0.023 0.000 1.011 36 E CA 0.282 56.690 56.400 0.013 0.000 0.912 36 E CB 0.454 30.147 29.700 -0.013 0.000 0.953 36 E HN 0.709 nan 8.360 nan 0.000 0.494 37 E N 0.771 120.983 120.200 0.020 0.000 2.320 37 E HA 0.390 4.740 4.350 0.000 0.000 0.264 37 E C -2.561 174.065 176.600 0.043 0.000 0.923 37 E CA -2.324 54.091 56.400 0.026 0.000 0.796 37 E CB 1.453 31.162 29.700 0.014 0.000 1.262 37 E HN -0.156 nan 8.360 nan 0.000 0.428 38 P HA 0.143 nan 4.420 nan 0.000 0.272 38 P C -0.889 176.466 177.300 0.093 0.000 1.240 38 P CA -0.160 62.985 63.100 0.074 0.000 0.791 38 P CB 0.647 32.389 31.700 0.069 0.000 0.978 39 V N 0.478 120.467 119.914 0.126 0.000 3.048 39 V HA 0.369 4.489 4.120 0.000 0.000 0.303 39 V C -1.466 174.713 176.094 0.143 0.000 1.214 39 V CA -0.565 61.825 62.300 0.150 0.000 0.984 39 V CB 2.100 34.039 31.823 0.193 0.000 1.054 39 V HN 0.538 nan 8.190 nan 0.000 0.430 40 E N 4.648 124.916 120.200 0.113 0.000 2.218 40 E HA 0.556 4.906 4.350 0.000 0.000 0.263 40 E C -1.762 174.827 176.600 -0.019 0.000 0.879 40 E CA -0.692 55.678 56.400 -0.049 0.000 0.762 40 E CB 1.717 31.378 29.700 -0.066 0.000 1.166 40 E HN 0.597 nan 8.360 nan 0.000 0.415 41 I N 4.160 124.671 120.570 -0.098 0.000 2.330 41 I HA 0.159 4.329 4.170 0.000 0.000 0.289 41 I C 0.158 176.221 176.117 -0.089 0.000 1.001 41 I CA -0.181 61.083 61.300 -0.059 0.000 1.193 41 I CB 1.531 39.455 38.000 -0.127 0.000 1.345 41 I HN 0.455 nan 8.210 nan 0.000 0.461 42 Q N 3.998 123.770 119.800 -0.047 0.000 2.205 42 Q HA 0.365 4.705 4.340 0.000 0.000 0.249 42 Q C 0.297 176.268 176.000 -0.048 0.000 0.948 42 Q CA -0.737 55.030 55.803 -0.059 0.000 0.895 42 Q CB 0.802 29.509 28.738 -0.052 0.000 1.249 42 Q HN 0.555 nan 8.270 nan 0.000 0.458 43 N N -0.281 118.394 118.700 -0.042 0.000 2.758 43 N HA -0.158 4.582 4.740 0.000 0.000 0.248 43 N C -1.769 173.726 175.510 -0.025 0.000 1.076 43 N CA 0.256 53.288 53.050 -0.029 0.000 0.696 43 N CB -0.975 37.493 38.487 -0.032 0.000 0.979 43 N HN 0.319 nan 8.380 nan 0.000 0.550 44 V N 1.832 121.728 119.914 -0.031 0.000 2.432 44 V HA 0.443 4.563 4.120 0.000 0.000 0.275 44 V C -1.468 174.618 176.094 -0.012 0.000 1.043 44 V CA -1.092 61.190 62.300 -0.030 0.000 0.925 44 V CB 1.397 33.191 31.823 -0.049 0.000 0.985 44 V HN 0.199 nan 8.190 nan 0.000 0.466 45 P HA 0.172 nan 4.420 nan 0.000 0.272 45 P C -0.824 176.485 177.300 0.016 0.000 1.223 45 P CA -0.456 62.652 63.100 0.014 0.000 0.784 45 P CB 0.762 32.472 31.700 0.017 0.000 0.923 46 K N 2.811 123.229 120.400 0.030 0.000 2.184 46 K HA 0.395 4.715 4.320 0.000 0.000 0.259 46 K C -0.223 176.403 176.600 0.044 0.000 1.119 46 K CA -0.189 56.117 56.287 0.031 0.000 0.991 46 K CB 0.007 32.528 32.500 0.035 0.000 1.522 46 K HN 0.449 nan 8.250 nan 0.000 0.405 47 L N 1.647 122.891 121.223 0.035 0.000 2.370 47 L HA 0.309 4.649 4.340 0.000 0.000 0.266 47 L C 1.234 178.126 176.870 0.037 0.000 1.002 47 L CA -0.897 53.968 54.840 0.041 0.000 0.818 47 L CB 1.817 43.893 42.059 0.027 0.000 1.325 47 L HN 0.287 nan 8.230 nan 0.000 0.418 48 K N 0.709 121.136 120.400 0.045 0.000 2.152 48 K HA -0.173 4.147 4.320 0.000 0.000 0.206 48 K C 1.161 177.784 176.600 0.038 0.000 1.048 48 K CA 1.566 57.877 56.287 0.040 0.000 0.933 48 K CB 0.065 32.595 32.500 0.049 0.000 0.721 48 K HN 0.534 nan 8.250 nan 0.000 0.447 49 D N -0.763 119.662 120.400 0.042 0.000 2.178 49 D HA -0.102 4.538 4.640 0.000 0.000 0.202 49 D C 1.665 177.997 176.300 0.053 0.000 0.974 49 D CA 0.768 54.800 54.000 0.053 0.000 0.841 49 D CB 0.079 40.912 40.800 0.054 0.000 0.953 49 D HN -0.008 nan 8.370 nan 0.000 0.478 50 V N 1.114 121.046 119.914 0.029 0.000 2.323 50 V HA -0.196 3.924 4.120 0.000 0.000 0.244 50 V C 1.768 177.858 176.094 -0.007 0.000 1.041 50 V CA 1.548 63.850 62.300 0.003 0.000 1.025 50 V CB -0.364 31.454 31.823 -0.008 0.000 0.656 50 V HN 0.090 nan 8.190 nan 0.000 0.451 51 D N 0.243 120.647 120.400 0.005 0.000 2.106 51 D HA -0.182 4.458 4.640 0.000 0.000 0.191 51 D C 2.261 178.564 176.300 0.005 0.000 0.997 51 D CA 2.155 56.156 54.000 0.003 0.000 0.834 51 D CB -0.709 40.096 40.800 0.010 0.000 0.956 51 D HN 0.380 nan 8.370 nan 0.000 0.448 52 T N 0.397 114.964 114.554 0.023 0.000 2.720 52 T HA -0.122 4.228 4.350 0.000 0.000 0.268 52 T C 2.180 176.912 174.700 0.053 0.000 1.037 52 T CA 1.543 63.666 62.100 0.039 0.000 1.144 52 T CB -0.285 68.616 68.868 0.054 0.000 0.864 52 T HN 0.056 nan 8.240 nan 0.000 0.444 53 S N 1.216 116.940 115.700 0.040 0.000 2.356 53 S HA -0.021 4.449 4.470 0.000 0.000 0.223 53 S C 2.135 176.653 174.600 -0.136 0.000 1.032 53 S CA 1.154 59.321 58.200 -0.056 0.000 1.005 53 S CB -0.373 62.713 63.200 -0.190 0.000 0.867 53 S HN 0.431 nan 8.310 nan 0.000 0.449 54 M N 1.121 120.664 119.600 -0.096 0.000 2.086 54 M HA -0.162 4.318 4.480 0.000 0.000 0.261 54 M C 2.276 178.551 176.300 -0.042 0.000 1.067 54 M CA 1.591 56.843 55.300 -0.079 0.000 1.116 54 M CB -0.497 32.073 32.600 -0.050 0.000 1.348 54 M HN 0.189 nan 8.290 nan 0.000 0.407 55 K N 0.975 121.364 120.400 -0.017 0.000 2.074 55 K HA -0.228 4.092 4.320 0.000 0.000 0.209 55 K C 1.739 178.345 176.600 0.010 0.000 1.048 55 K CA 1.559 57.846 56.287 -0.001 0.000 0.926 55 K CB -0.454 32.051 32.500 0.009 0.000 0.713 55 K HN 0.187 nan 8.250 nan 0.000 0.444 56 L N 0.332 121.573 121.223 0.030 0.000 2.044 56 L HA -0.016 4.324 4.340 0.000 0.000 0.205 56 L C 1.888 178.784 176.870 0.043 0.000 1.075 56 L CA 1.433 56.316 54.840 0.071 0.000 0.747 56 L CB -0.723 41.444 42.059 0.180 0.000 0.903 56 L HN 0.229 nan 8.230 nan 0.000 0.435 57 L N -0.395 120.821 121.223 -0.012 0.000 1.990 57 L HA -0.241 4.099 4.340 0.000 0.000 0.213 57 L C 2.903 179.762 176.870 -0.018 0.000 1.072 57 L CA 2.194 57.017 54.840 -0.028 0.000 0.755 57 L CB -1.443 40.560 42.059 -0.092 0.000 0.889 57 L HN 0.514 nan 8.230 nan 0.000 0.432 58 S N -1.231 114.455 115.700 -0.023 0.000 2.365 58 S HA -0.331 4.139 4.470 0.000 0.000 0.225 58 S C 2.085 176.668 174.600 -0.028 0.000 1.039 58 S CA 1.869 60.056 58.200 -0.021 0.000 1.033 58 S CB -0.297 62.893 63.200 -0.017 0.000 0.887 58 S HN 0.545 nan 8.310 nan 0.000 0.447 59 Q N -0.159 119.629 119.800 -0.020 0.000 2.181 59 Q HA -0.016 4.324 4.340 0.000 0.000 0.205 59 Q C 1.971 177.935 176.000 -0.060 0.000 0.980 59 Q CA 1.420 57.206 55.803 -0.028 0.000 0.862 59 Q CB -0.181 28.555 28.738 -0.004 0.000 0.905 59 Q HN 0.617 nan 8.270 nan 0.000 0.429 60 L N -1.734 119.454 121.223 -0.058 0.000 2.478 60 L HA 0.091 4.431 4.340 0.000 0.000 0.223 60 L C 1.247 178.012 176.870 -0.175 0.000 1.140 60 L CA 0.654 55.420 54.840 -0.122 0.000 0.842 60 L CB 0.173 42.195 42.059 -0.063 0.000 0.953 60 L HN 0.515 nan 8.230 nan 0.000 0.452 61 G N -0.663 108.073 108.800 -0.108 0.000 2.175 61 G HA2 -0.147 3.813 3.960 0.000 0.000 0.182 61 G HA3 -0.147 3.813 3.960 0.000 0.000 0.182 61 G C 0.262 175.134 174.900 -0.046 0.000 1.003 61 G CA -0.188 44.853 45.100 -0.098 0.000 0.666 61 G HN 0.411 nan 8.290 nan 0.000 0.506 62 A N -0.192 122.613 122.820 -0.024 0.000 2.304 62 A HA 0.767 5.087 4.320 0.000 0.000 0.271 62 A C 0.274 177.860 177.584 0.002 0.000 1.091 62 A CA 0.097 52.137 52.037 0.006 0.000 0.812 62 A CB 0.556 19.567 19.000 0.017 0.000 1.056 62 A HN 0.282 nan 8.150 nan 0.000 0.489 63 K N 0.523 120.932 120.400 0.016 0.000 2.253 63 K HA 0.535 4.855 4.320 0.000 0.000 0.277 63 K C -1.203 175.411 176.600 0.024 0.000 1.053 63 K CA 0.072 56.368 56.287 0.015 0.000 0.892 63 K CB 1.349 33.859 32.500 0.017 0.000 1.102 63 K HN 0.397 nan 8.250 nan 0.000 0.469 64 V N 3.187 123.111 119.914 0.017 0.000 2.656 64 V HA 0.523 4.643 4.120 0.000 0.000 0.307 64 V C -0.805 175.307 176.094 0.031 0.000 1.051 64 V CA -0.907 61.406 62.300 0.023 0.000 0.893 64 V CB 1.747 33.566 31.823 -0.005 0.000 0.999 64 V HN 0.858 nan 8.190 nan 0.000 0.426 65 E N 3.922 124.158 120.200 0.060 0.000 2.335 65 E HA 0.654 5.004 4.350 0.000 0.000 0.280 65 E C -1.122 175.532 176.600 0.090 0.000 0.918 65 E CA -1.117 55.320 56.400 0.062 0.000 0.765 65 E CB 2.639 32.372 29.700 0.055 0.000 1.218 65 E HN 0.765 nan 8.360 nan 0.000 0.425 66 R N 1.679 122.211 120.500 0.053 0.000 2.778 66 R HA 0.352 4.692 4.340 0.000 0.000 0.277 66 R C -0.099 176.231 176.300 0.051 0.000 0.977 66 R CA 0.047 56.171 56.100 0.040 0.000 0.950 66 R CB 1.204 31.507 30.300 0.005 0.000 1.165 66 R HN 0.650 nan 8.270 nan 0.000 0.474 67 D N 1.758 122.187 120.400 0.047 0.000 2.049 67 D HA -0.052 4.588 4.640 0.000 0.000 0.233 67 D C 1.191 177.508 176.300 0.028 0.000 0.994 67 D CA 1.167 55.194 54.000 0.044 0.000 0.925 67 D CB -0.455 40.366 40.800 0.035 0.000 1.146 67 D HN 0.607 nan 8.370 nan 0.000 0.472 68 G N -1.735 107.068 108.800 0.006 0.000 2.727 68 G HA2 0.330 4.290 3.960 0.000 0.000 0.207 68 G HA3 0.330 4.290 3.960 0.000 0.000 0.207 68 G C 0.191 175.072 174.900 -0.031 0.000 1.060 68 G CA 0.045 45.141 45.100 -0.006 0.000 0.814 68 G HN 0.390 nan 8.290 nan 0.000 0.576 69 S N -1.009 114.657 115.700 -0.057 0.000 2.745 69 S HA 0.749 5.219 4.470 0.000 0.000 0.306 69 S C -1.172 173.338 174.600 -0.150 0.000 1.137 69 S CA -0.568 57.557 58.200 -0.126 0.000 0.900 69 S CB 2.328 65.402 63.200 -0.210 0.000 1.176 69 S HN 0.034 nan 8.310 nan 0.000 0.520 70 V N 2.116 121.906 119.914 -0.207 0.000 2.531 70 V HA 0.396 4.516 4.120 0.000 0.000 0.301 70 V C -1.048 174.916 176.094 -0.216 0.000 1.034 70 V CA -0.640 61.568 62.300 -0.153 0.000 0.865 70 V CB 1.427 33.189 31.823 -0.101 0.000 0.995 70 V HN 0.802 nan 8.190 nan 0.000 0.424 71 H N 5.289 124.358 119.070 -0.002 0.000 2.517 71 H HA 0.599 5.155 4.556 0.000 0.000 0.317 71 H C -0.747 174.584 175.328 0.005 0.000 1.080 71 H CA -0.171 55.883 56.048 0.010 0.000 1.301 71 H CB 1.964 31.733 29.762 0.012 0.000 1.425 71 H HN 0.472 nan 8.280 nan 0.000 0.471 72 I N 2.875 123.517 120.570 0.120 0.000 2.447 72 I HA 0.053 4.223 4.170 0.000 0.000 0.287 72 I C -0.298 175.872 176.117 0.088 0.000 1.023 72 I CA -0.573 60.772 61.300 0.076 0.000 1.083 72 I CB 2.061 40.086 38.000 0.040 0.000 1.245 72 I HN 0.426 nan 8.210 nan 0.000 0.434 73 D N 5.740 126.182 120.400 0.070 0.000 2.461 73 D HA 0.481 5.121 4.640 0.000 0.000 0.240 73 D C 0.069 176.408 176.300 0.064 0.000 1.094 73 D CA -0.325 53.714 54.000 0.065 0.000 0.868 73 D CB 1.924 42.753 40.800 0.049 0.000 1.062 73 D HN 0.626 nan 8.370 nan 0.000 0.530 74 A N 4.306 127.176 122.820 0.083 0.000 2.545 74 A HA 0.176 4.496 4.320 0.000 0.000 0.277 74 A C 1.753 179.420 177.584 0.138 0.000 1.301 74 A CA -0.238 51.864 52.037 0.109 0.000 0.935 74 A CB 0.012 19.091 19.000 0.133 0.000 1.093 74 A HN 0.511 nan 8.150 nan 0.000 0.519 75 R N 0.163 120.725 120.500 0.104 0.000 2.075 75 R HA -0.068 4.272 4.340 0.000 0.000 0.232 75 R C 0.124 176.503 176.300 0.131 0.000 1.126 75 R CA 1.455 57.620 56.100 0.108 0.000 0.963 75 R CB -0.017 30.325 30.300 0.071 0.000 0.858 75 R HN 0.282 nan 8.270 nan 0.000 0.435 76 D N 0.250 120.704 120.400 0.090 0.000 2.395 76 D HA 0.067 4.707 4.640 0.000 0.000 0.226 76 D C -0.511 175.802 176.300 0.022 0.000 1.146 76 D CA 0.063 54.100 54.000 0.062 0.000 0.830 76 D CB 0.303 41.119 40.800 0.028 0.000 0.958 76 D HN -0.111 nan 8.370 nan 0.000 0.501 77 V N 2.924 122.869 119.914 0.052 0.000 2.557 77 V HA -0.027 4.093 4.120 0.000 0.000 0.301 77 V C 1.239 177.146 176.094 -0.310 0.000 1.026 77 V CA 0.532 62.766 62.300 -0.111 0.000 1.137 77 V CB 0.459 32.262 31.823 -0.033 0.000 0.917 77 V HN 0.351 nan 8.190 nan 0.000 0.484 78 N N 3.384 121.782 118.700 -0.503 0.000 2.036 78 N HA 0.066 4.806 4.740 0.000 0.000 0.228 78 N C -0.497 174.386 175.510 -1.045 0.000 1.368 78 N CA -0.008 52.687 53.050 -0.591 0.000 0.846 78 N CB 0.870 39.221 38.487 -0.227 0.000 1.145 78 N HN 0.427 nan 8.380 nan 0.000 0.502 79 V N 0.678 119.944 119.914 -1.081 0.000 2.715 79 V HA 0.648 4.768 4.120 0.000 0.000 0.310 79 V C -1.194 174.261 176.094 -1.064 0.000 1.054 79 V CA -0.754 60.961 62.300 -0.974 0.000 0.928 79 V CB 1.481 33.060 31.823 -0.407 0.000 1.007 79 V HN 0.025 nan 8.190 nan 0.000 0.437 80 F N 4.198 124.079 119.950 -0.116 0.000 2.814 80 F HA 0.481 5.008 4.527 -0.000 0.000 0.326 80 F C 0.156 175.941 175.800 -0.026 0.000 1.159 80 F CA -0.377 57.569 58.000 -0.090 0.000 1.234 80 F CB 0.649 39.590 39.000 -0.099 0.000 1.016 80 F HN 0.487 nan 8.300 nan 0.000 0.510 81 C N 1.767 121.103 119.300 0.060 0.000 2.441 81 C HA 0.866 5.326 4.460 0.000 0.000 0.318 81 C C 0.036 175.081 174.990 0.091 0.000 1.222 81 C CA -0.452 58.607 59.018 0.067 0.000 1.474 81 C CB -0.037 27.689 27.740 -0.024 0.000 2.125 81 C HN 0.457 nan 8.230 nan 0.000 0.479 82 A N 8.698 131.609 122.820 0.152 0.000 2.366 82 A HA 0.657 4.977 4.320 0.000 0.000 0.322 82 A C -2.381 175.349 177.584 0.243 0.000 1.397 82 A CA -1.057 51.076 52.037 0.160 0.000 0.984 82 A CB -0.001 19.079 19.000 0.132 0.000 1.149 82 A HN 0.802 nan 8.150 nan 0.000 0.540 83 P HA -0.009 nan 4.420 nan 0.000 0.274 83 P C 0.472 177.925 177.300 0.255 0.000 1.231 83 P CA -0.119 63.185 63.100 0.339 0.000 0.790 83 P CB 0.659 32.481 31.700 0.202 0.000 0.951 84 Y N 2.428 122.813 120.300 0.142 0.000 2.096 84 Y HA -0.349 4.201 4.550 0.000 0.000 0.276 84 Y C 1.881 177.780 175.900 -0.003 0.000 1.209 84 Y CA 2.430 60.511 58.100 -0.032 0.000 1.137 84 Y CB -0.755 37.670 38.460 -0.058 0.000 0.956 84 Y HN 0.304 nan 8.280 nan 0.000 0.506 85 D N -0.251 120.228 120.400 0.131 0.000 2.221 85 D HA -0.155 4.485 4.640 0.000 0.000 0.204 85 D C 2.030 178.296 176.300 -0.057 0.000 0.982 85 D CA 1.301 55.320 54.000 0.032 0.000 0.857 85 D CB -0.177 40.680 40.800 0.094 0.000 0.934 85 D HN 0.387 nan 8.370 nan 0.000 0.475 86 L N -0.458 120.746 121.223 -0.031 0.000 2.121 86 L HA -0.058 4.282 4.340 0.000 0.000 0.200 86 L C 2.461 179.283 176.870 -0.081 0.000 1.077 86 L CA 0.461 55.284 54.840 -0.028 0.000 0.766 86 L CB -0.344 41.733 42.059 0.030 0.000 0.931 86 L HN -0.147 nan 8.230 nan 0.000 0.452 87 V N 0.927 120.778 119.914 -0.105 0.000 2.317 87 V HA -0.375 3.745 4.120 0.000 0.000 0.251 87 V C 2.501 178.461 176.094 -0.224 0.000 1.065 87 V CA 2.325 64.534 62.300 -0.152 0.000 1.049 87 V CB -1.114 30.609 31.823 -0.167 0.000 0.651 87 V HN 0.625 nan 8.190 nan 0.000 0.450 88 K N 1.320 121.506 120.400 -0.356 0.000 2.209 88 K HA -0.186 4.134 4.320 0.000 0.000 0.204 88 K C 1.843 178.324 176.600 -0.198 0.000 1.048 88 K CA 1.888 57.949 56.287 -0.377 0.000 0.940 88 K CB -0.617 31.508 32.500 -0.626 0.000 0.729 88 K HN 0.618 nan 8.250 nan 0.000 0.451 89 T N -2.095 112.373 114.554 -0.144 0.000 3.081 89 T HA 0.133 4.483 4.350 0.000 0.000 0.255 89 T C 0.724 175.396 174.700 -0.046 0.000 1.113 89 T CA -0.158 61.898 62.100 -0.074 0.000 1.082 89 T CB 0.010 68.847 68.868 -0.052 0.000 0.939 89 T HN 0.280 nan 8.240 nan 0.000 0.506 90 M N 2.068 121.627 119.600 -0.067 0.000 2.380 90 M HA 0.313 4.793 4.480 0.000 0.000 0.202 90 M C 0.534 176.771 176.300 -0.105 0.000 0.975 90 M CA -0.634 54.633 55.300 -0.055 0.000 0.971 90 M CB 1.276 33.878 32.600 0.003 0.000 2.685 90 M HN 0.150 nan 8.290 nan 0.000 0.431 91 R N 1.716 122.127 120.500 -0.148 0.000 2.293 91 R HA 0.030 4.370 4.340 0.000 0.000 0.219 91 R C 1.040 177.159 176.300 -0.302 0.000 1.091 91 R CA 1.407 57.381 56.100 -0.211 0.000 1.004 91 R CB -0.411 29.765 30.300 -0.207 0.000 0.865 91 R HN 0.632 nan 8.270 nan 0.000 0.469 92 A N 1.264 123.907 122.820 -0.296 0.000 2.121 92 A HA -0.039 4.281 4.320 0.000 0.000 0.218 92 A C 2.051 179.364 177.584 -0.451 0.000 1.154 92 A CA 1.134 52.889 52.037 -0.469 0.000 0.679 92 A CB -0.317 18.518 19.000 -0.275 0.000 0.795 92 A HN 0.412 nan 8.150 nan 0.000 0.458 93 S N -0.106 115.429 115.700 -0.274 0.000 2.407 93 S HA -0.231 4.239 4.470 0.000 0.000 0.235 93 S C 1.694 176.078 174.600 -0.360 0.000 1.036 93 S CA 1.482 59.517 58.200 -0.275 0.000 1.013 93 S CB -0.499 62.662 63.200 -0.066 0.000 0.820 93 S HN 0.618 nan 8.310 nan 0.000 0.476 94 I N 0.906 121.271 120.570 -0.341 0.000 2.381 94 I HA -0.168 4.002 4.170 0.000 0.000 0.255 94 I C 1.532 177.537 176.117 -0.186 0.000 1.140 94 I CA 1.004 62.134 61.300 -0.283 0.000 1.404 94 I CB -0.371 37.381 38.000 -0.412 0.000 1.075 94 I HN 0.386 nan 8.210 nan 0.000 0.433 95 W N 0.593 121.643 121.300 -0.418 0.000 2.538 95 W HA -0.015 4.645 4.660 0.000 0.000 0.254 95 W C 2.428 178.777 176.519 -0.284 0.000 1.249 95 W CA 0.917 58.043 57.345 -0.366 0.000 1.253 95 W CB -1.152 28.006 29.460 -0.502 0.000 1.130 95 W HN 0.317 nan 8.180 nan 0.000 0.618 96 A N -0.251 122.510 122.820 -0.097 0.000 1.968 96 A HA -0.139 4.181 4.320 0.000 0.000 0.217 96 A C 1.968 179.657 177.584 0.176 0.000 1.169 96 A CA 1.191 53.319 52.037 0.151 0.000 0.638 96 A CB -0.778 18.340 19.000 0.198 0.000 0.812 96 A HN 0.136 nan 8.150 nan 0.000 0.446 97 L N 0.366 121.667 121.223 0.130 0.000 1.978 97 L HA -0.156 4.184 4.340 0.000 0.000 0.218 97 L C 2.444 179.407 176.870 0.155 0.000 1.075 97 L CA 2.552 57.475 54.840 0.138 0.000 0.767 97 L CB -1.278 40.846 42.059 0.109 0.000 0.890 97 L HN 0.336 nan 8.230 nan 0.000 0.434 98 G N -0.793 108.107 108.800 0.166 0.000 2.586 98 G HA2 -0.266 3.694 3.960 0.000 0.000 0.218 98 G HA3 -0.266 3.694 3.960 0.000 0.000 0.218 98 G C -0.586 174.397 174.900 0.138 0.000 1.216 98 G CA 1.104 46.292 45.100 0.145 0.000 0.786 98 G HN 0.406 nan 8.290 nan 0.000 0.583 99 P HA -0.060 nan 4.420 nan 0.000 0.215 99 P C 2.185 179.617 177.300 0.220 0.000 1.157 99 P CA 0.762 63.963 63.100 0.168 0.000 0.868 99 P CB -0.162 31.662 31.700 0.207 0.000 0.788 100 L N -1.093 120.295 121.223 0.275 0.000 2.013 100 L HA -0.182 4.158 4.340 0.000 0.000 0.212 100 L C 2.325 179.361 176.870 0.276 0.000 1.073 100 L CA 1.647 56.709 54.840 0.370 0.000 0.753 100 L CB -1.175 41.071 42.059 0.312 0.000 0.890 100 L HN -0.102 nan 8.230 nan 0.000 0.432 101 V N -0.244 119.768 119.914 0.162 0.000 2.453 101 V HA -0.211 3.909 4.120 0.000 0.000 0.247 101 V C 2.704 178.834 176.094 0.059 0.000 1.048 101 V CA 1.535 63.890 62.300 0.091 0.000 1.049 101 V CB -0.832 31.035 31.823 0.073 0.000 0.672 101 V HN 0.461 nan 8.190 nan 0.000 0.457 102 A N 0.166 123.023 122.820 0.061 0.000 1.902 102 A HA -0.242 4.078 4.320 0.000 0.000 0.217 102 A C 2.433 179.993 177.584 -0.040 0.000 1.181 102 A CA 2.222 54.268 52.037 0.015 0.000 0.623 102 A CB -0.425 18.587 19.000 0.021 0.000 0.818 102 A HN 0.495 nan 8.150 nan 0.000 0.443 103 R N -2.353 118.108 120.500 -0.065 0.000 2.105 103 R HA 0.131 4.471 4.340 0.000 0.000 0.214 103 R C 0.924 176.953 176.300 -0.452 0.000 1.091 103 R CA 0.978 56.894 56.100 -0.307 0.000 1.007 103 R CB -0.041 29.977 30.300 -0.470 0.000 0.912 103 R HN 0.463 nan 8.270 nan 0.000 0.450 104 F N -0.692 119.237 119.950 -0.036 0.000 2.678 104 F HA 0.395 4.922 4.527 -0.000 0.000 0.305 104 F C 1.338 177.013 175.800 -0.208 0.000 1.090 104 F CA 0.372 58.287 58.000 -0.141 0.000 1.272 104 F CB 1.313 40.148 39.000 -0.276 0.000 1.060 104 F HN 0.293 nan 8.300 nan 0.000 0.576 105 G N 1.053 109.853 108.800 0.001 0.000 2.189 105 G HA2 -0.277 3.683 3.960 0.000 0.000 0.267 105 G HA3 -0.277 3.683 3.960 0.000 0.000 0.267 105 G C 0.088 174.955 174.900 -0.055 0.000 0.975 105 G CA 0.583 45.664 45.100 -0.031 0.000 0.644 105 G HN 0.520 nan 8.290 nan 0.000 0.537 106 Q N -1.684 118.058 119.800 -0.096 0.000 2.511 106 Q HA 0.705 5.046 4.340 0.000 0.000 0.289 106 Q C -0.421 175.556 176.000 -0.039 0.000 1.021 106 Q CA -0.706 55.036 55.803 -0.102 0.000 0.785 106 Q CB 1.988 30.610 28.738 -0.193 0.000 1.472 106 Q HN 1.504 nan 8.270 nan 0.000 0.411 107 G N 0.902 109.723 108.800 0.035 0.000 2.716 107 G HA2 0.469 4.429 3.960 0.000 0.000 0.299 107 G HA3 0.469 4.429 3.960 0.000 0.000 0.299 107 G C -2.031 172.935 174.900 0.109 0.000 1.450 107 G CA -0.609 44.560 45.100 0.115 0.000 0.968 107 G HN 0.363 nan 8.290 nan 0.000 0.566 108 Q N 0.217 120.095 119.800 0.131 0.000 2.309 108 Q HA 0.647 4.987 4.340 0.000 0.000 0.270 108 Q C -0.513 175.610 176.000 0.205 0.000 1.023 108 Q CA -0.629 55.256 55.803 0.136 0.000 0.758 108 Q CB 2.807 31.571 28.738 0.042 0.000 1.247 108 Q HN 0.481 nan 8.270 nan 0.000 0.455 109 V N 1.128 121.178 119.914 0.226 0.000 2.604 109 V HA 0.508 4.628 4.120 0.000 0.000 0.305 109 V C -0.142 176.059 176.094 0.178 0.000 1.043 109 V CA -0.930 61.492 62.300 0.204 0.000 0.888 109 V CB 2.201 34.074 31.823 0.083 0.000 0.995 109 V HN 0.777 nan 8.190 nan 0.000 0.429 110 S N 4.678 120.421 115.700 0.073 0.000 2.537 110 S HA 0.186 4.656 4.470 0.000 0.000 0.286 110 S C -0.134 174.371 174.600 -0.158 0.000 1.299 110 S CA -0.415 57.621 58.200 -0.273 0.000 1.067 110 S CB 0.127 63.141 63.200 -0.311 0.000 0.864 110 S HN 0.609 nan 8.310 nan 0.000 0.494 111 L N 7.297 128.428 121.223 -0.154 0.000 2.418 111 L HA 0.359 4.699 4.340 0.000 0.000 0.274 111 L C -2.113 174.690 176.870 -0.110 0.000 1.135 111 L CA -1.383 53.393 54.840 -0.106 0.000 0.870 111 L CB 0.248 42.264 42.059 -0.072 0.000 1.154 111 L HN 0.553 nan 8.230 nan 0.000 0.462 112 P HA 0.155 nan 4.420 nan 0.000 0.268 112 P C 0.195 177.440 177.300 -0.092 0.000 1.204 112 P CA -0.099 62.919 63.100 -0.136 0.000 0.768 112 P CB 0.739 32.340 31.700 -0.165 0.000 0.842 113 G N 1.895 110.648 108.800 -0.078 0.000 2.666 113 G HA2 0.484 4.444 3.960 0.000 0.000 0.207 113 G HA3 0.484 4.444 3.960 0.000 0.000 0.207 113 G C 0.108 174.979 174.900 -0.048 0.000 1.481 113 G CA -0.410 44.665 45.100 -0.041 0.000 1.071 113 G HN 0.613 nan 8.290 nan 0.000 0.572 114 G N -1.995 106.786 108.800 -0.032 0.000 2.503 114 G HA2 0.416 4.376 3.960 0.000 0.000 0.257 114 G HA3 0.416 4.376 3.960 0.000 0.000 0.257 114 G C -0.680 174.191 174.900 -0.049 0.000 1.214 114 G CA -0.043 45.037 45.100 -0.033 0.000 0.839 114 G HN 0.658 nan 8.290 nan 0.000 0.559 115 C N 1.141 120.405 119.300 -0.059 0.000 2.561 115 C HA 0.617 5.077 4.460 0.000 0.000 0.319 115 C C 2.036 176.979 174.990 -0.079 0.000 1.198 115 C CA 0.158 59.126 59.018 -0.083 0.000 1.665 115 C CB 1.077 28.741 27.740 -0.127 0.000 2.258 115 C HN 0.988 nan 8.230 nan 0.000 0.493 116 T N 1.208 115.712 114.554 -0.084 0.000 3.007 116 T HA -0.152 4.198 4.350 0.000 0.000 0.270 116 T C 1.368 176.012 174.700 -0.093 0.000 1.107 116 T CA 1.742 63.797 62.100 -0.075 0.000 1.118 116 T CB -0.366 68.457 68.868 -0.075 0.000 0.889 116 T HN 0.832 nan 8.240 nan 0.000 0.506 117 I N -1.568 118.908 120.570 -0.156 0.000 3.419 117 I HA 0.546 4.716 4.170 0.000 0.000 0.286 117 I C 0.933 176.985 176.117 -0.109 0.000 1.268 117 I CA 0.109 61.295 61.300 -0.190 0.000 1.414 117 I CB -0.353 37.418 38.000 -0.382 0.000 1.074 117 I HN 0.444 nan 8.210 nan 0.000 0.457 118 G N 1.038 109.799 108.800 -0.064 0.000 2.362 118 G HA2 0.351 4.311 3.960 0.000 0.000 0.288 118 G HA3 0.351 4.311 3.960 0.000 0.000 0.288 118 G C -1.080 173.843 174.900 0.039 0.000 1.305 118 G CA -0.436 44.680 45.100 0.028 0.000 0.910 118 G HN 0.475 nan 8.290 nan 0.000 0.518 119 A N 0.012 122.874 122.820 0.070 0.000 2.524 119 A HA 0.598 4.918 4.320 0.000 0.000 0.250 119 A C 0.784 178.420 177.584 0.087 0.000 1.078 119 A CA 0.460 52.531 52.037 0.058 0.000 0.761 119 A CB -0.015 19.015 19.000 0.050 0.000 1.012 119 A HN 0.618 nan 8.150 nan 0.000 0.500 120 R N 3.072 123.601 120.500 0.047 0.000 2.701 120 R HA 0.214 4.554 4.340 0.000 0.000 0.281 120 R C -2.658 173.648 176.300 0.009 0.000 1.367 120 R CA -1.081 55.052 56.100 0.055 0.000 1.510 120 R CB 0.709 31.024 30.300 0.026 0.000 1.306 120 R HN 0.656 nan 8.270 nan 0.000 0.682 121 P HA 0.054 nan 4.420 nan 0.000 0.272 121 P C 0.676 177.980 177.300 0.005 0.000 1.230 121 P CA -0.116 62.985 63.100 0.001 0.000 0.788 121 P CB 1.105 32.815 31.700 0.015 0.000 0.949 122 V N -2.490 117.415 119.914 -0.015 0.000 2.988 122 V HA 0.094 4.214 4.120 0.000 0.000 0.356 122 V C 1.275 177.423 176.094 0.091 0.000 1.380 122 V CA 0.041 62.344 62.300 0.006 0.000 1.184 122 V CB -0.483 31.193 31.823 -0.245 0.000 1.204 122 V HN 0.526 nan 8.190 nan 0.000 0.530 123 D N 1.427 121.868 120.400 0.068 0.000 2.158 123 D HA -0.280 4.361 4.640 0.000 0.000 0.197 123 D C 1.751 178.099 176.300 0.081 0.000 0.995 123 D CA 1.760 55.797 54.000 0.061 0.000 0.846 123 D CB -0.086 40.736 40.800 0.037 0.000 0.941 123 D HN 0.547 nan 8.370 nan 0.000 0.456 124 L N -0.027 121.254 121.223 0.098 0.000 2.141 124 L HA -0.124 4.216 4.340 0.000 0.000 0.209 124 L C 2.837 179.739 176.870 0.054 0.000 1.094 124 L CA 0.993 55.865 54.840 0.053 0.000 0.763 124 L CB -0.637 41.428 42.059 0.011 0.000 0.908 124 L HN 0.140 nan 8.230 nan 0.000 0.437 125 H N -0.029 119.051 119.070 0.018 0.000 2.293 125 H HA -0.135 4.421 4.556 0.000 0.000 0.300 125 H C 2.462 177.807 175.328 0.029 0.000 1.082 125 H CA 1.724 57.792 56.048 0.033 0.000 1.308 125 H CB 0.037 29.814 29.762 0.024 0.000 1.375 125 H HN 0.302 nan 8.280 nan 0.000 0.495 126 I N 0.403 121.073 120.570 0.167 0.000 2.127 126 I HA -0.300 3.870 4.170 0.000 0.000 0.241 126 I C 2.939 179.096 176.117 0.066 0.000 1.075 126 I CA 1.328 62.685 61.300 0.094 0.000 1.334 126 I CB -0.310 37.728 38.000 0.064 0.000 1.040 126 I HN 0.171 nan 8.210 nan 0.000 0.405 127 S N 0.828 116.560 115.700 0.054 0.000 2.370 127 S HA -0.160 4.310 4.470 0.000 0.000 0.226 127 S C 2.136 176.751 174.600 0.024 0.000 1.033 127 S CA 1.704 59.923 58.200 0.032 0.000 1.011 127 S CB -0.767 62.446 63.200 0.022 0.000 0.852 127 S HN 0.559 nan 8.310 nan 0.000 0.457 128 G N 1.345 110.159 108.800 0.024 0.000 2.418 128 G HA2 -0.083 3.877 3.960 0.000 0.000 0.217 128 G HA3 -0.083 3.877 3.960 0.000 0.000 0.217 128 G C 1.468 176.383 174.900 0.025 0.000 1.158 128 G CA 0.878 45.985 45.100 0.012 0.000 0.771 128 G HN 0.525 nan 8.290 nan 0.000 0.545 129 L N -0.115 121.134 121.223 0.043 0.000 2.093 129 L HA -0.003 4.337 4.340 0.000 0.000 0.208 129 L C 2.867 179.758 176.870 0.035 0.000 1.085 129 L CA 1.005 55.872 54.840 0.046 0.000 0.755 129 L CB -0.357 41.741 42.059 0.065 0.000 0.904 129 L HN 0.290 nan 8.230 nan 0.000 0.435 130 E N -0.311 119.909 120.200 0.033 0.000 2.110 130 E HA -0.278 4.072 4.350 0.000 0.000 0.193 130 E C 2.132 178.744 176.600 0.020 0.000 0.988 130 E CA 0.930 57.346 56.400 0.026 0.000 0.804 130 E CB 0.008 29.722 29.700 0.024 0.000 0.745 130 E HN 0.457 nan 8.360 nan 0.000 0.458 131 Q N 0.137 119.947 119.800 0.018 0.000 2.297 131 Q HA -0.022 4.318 4.340 0.000 0.000 0.204 131 Q C 1.592 177.602 176.000 0.016 0.000 0.962 131 Q CA 0.499 56.310 55.803 0.014 0.000 0.879 131 Q CB 0.252 28.993 28.738 0.006 0.000 0.947 131 Q HN 0.267 nan 8.270 nan 0.000 0.462 132 L N -1.087 120.147 121.223 0.018 0.000 2.627 132 L HA 0.171 4.511 4.340 0.000 0.000 0.232 132 L C 0.908 177.788 176.870 0.016 0.000 1.150 132 L CA 0.499 55.350 54.840 0.018 0.000 0.917 132 L CB 0.216 42.287 42.059 0.020 0.000 1.104 132 L HN 0.454 nan 8.230 nan 0.000 0.445 133 G N -0.359 108.451 108.800 0.016 0.000 2.176 133 G HA2 -0.228 3.732 3.960 0.000 0.000 0.232 133 G HA3 -0.228 3.732 3.960 0.000 0.000 0.232 133 G C 0.355 175.264 174.900 0.015 0.000 0.986 133 G CA -0.042 45.066 45.100 0.014 0.000 0.643 133 G HN 0.462 nan 8.290 nan 0.000 0.522 134 A N -0.342 122.490 122.820 0.020 0.000 2.304 134 A HA 0.814 5.134 4.320 0.000 0.000 0.271 134 A C 0.513 178.110 177.584 0.022 0.000 1.091 134 A CA 0.938 52.988 52.037 0.022 0.000 0.812 134 A CB 1.031 20.049 19.000 0.030 0.000 1.056 134 A HN 1.260 nan 8.150 nan 0.000 0.489 135 T N 1.438 116.004 114.554 0.021 0.000 2.829 135 T HA 0.631 4.981 4.350 0.000 0.000 0.280 135 T C -0.696 174.019 174.700 0.026 0.000 0.999 135 T CA -0.440 61.672 62.100 0.020 0.000 0.983 135 T CB -0.071 68.806 68.868 0.015 0.000 0.968 135 T HN 0.429 nan 8.240 nan 0.000 0.446 136 I N 4.432 125.019 120.570 0.028 0.000 2.582 136 I HA 0.559 4.729 4.170 0.000 0.000 0.292 136 I C -0.554 175.582 176.117 0.033 0.000 1.066 136 I CA -1.168 60.153 61.300 0.034 0.000 1.053 136 I CB 2.401 40.424 38.000 0.040 0.000 1.241 136 I HN 0.690 nan 8.210 nan 0.000 0.421 137 K N 4.553 124.975 120.400 0.038 0.000 2.512 137 K HA 0.760 5.080 4.320 0.000 0.000 0.263 137 K C -1.923 174.707 176.600 0.049 0.000 0.966 137 K CA -0.950 55.359 56.287 0.037 0.000 0.851 137 K CB 2.817 35.336 32.500 0.032 0.000 1.395 137 K HN 0.416 nan 8.250 nan 0.000 0.440 138 L N 1.977 123.227 121.223 0.045 0.000 2.316 138 L HA 0.404 4.744 4.340 0.000 0.000 0.280 138 L C -1.426 175.479 176.870 0.058 0.000 1.006 138 L CA 0.183 55.055 54.840 0.054 0.000 0.836 138 L CB 1.015 43.095 42.059 0.035 0.000 1.221 138 L HN 0.834 nan 8.230 nan 0.000 0.418 139 E N 2.935 123.187 120.200 0.088 0.000 2.292 139 E HA 0.431 4.781 4.350 0.000 0.000 0.272 139 E C -0.713 175.970 176.600 0.139 0.000 0.881 139 E CA -0.737 55.714 56.400 0.085 0.000 0.754 139 E CB 1.293 31.030 29.700 0.063 0.000 1.201 139 E HN 0.590 nan 8.360 nan 0.000 0.425 140 E N 0.951 121.213 120.200 0.103 0.000 2.722 140 E HA -0.310 4.040 4.350 0.000 0.000 0.265 140 E C 0.710 177.381 176.600 0.119 0.000 1.081 140 E CA 0.657 57.134 56.400 0.129 0.000 0.781 140 E CB -1.654 28.160 29.700 0.192 0.000 1.372 140 E HN 1.163 nan 8.360 nan 0.000 0.423 141 G N -1.140 107.683 108.800 0.038 0.000 2.179 141 G HA2 -0.363 3.597 3.960 0.000 0.000 0.260 141 G HA3 -0.363 3.597 3.960 0.000 0.000 0.260 141 G C -0.167 174.630 174.900 -0.172 0.000 0.977 141 G CA 0.529 45.581 45.100 -0.081 0.000 0.641 141 G HN 0.325 nan 8.290 nan 0.000 0.533 142 Y N -0.364 119.955 120.300 0.031 0.000 2.330 142 Y HA 0.503 5.053 4.550 -0.000 0.000 0.336 142 Y C 0.717 176.633 175.900 0.026 0.000 1.036 142 Y CA -0.382 57.739 58.100 0.035 0.000 1.125 142 Y CB 2.022 40.505 38.460 0.039 0.000 1.194 142 Y HN 0.342 nan 8.280 nan 0.000 0.469 143 V N 5.172 125.175 119.914 0.148 0.000 2.405 143 V HA 0.307 4.427 4.120 0.000 0.000 0.264 143 V C -0.639 175.528 176.094 0.122 0.000 1.048 143 V CA -0.563 61.798 62.300 0.101 0.000 0.966 143 V CB -0.031 31.823 31.823 0.052 0.000 1.015 143 V HN 0.702 nan 8.190 nan 0.000 0.477 144 K N 6.418 126.878 120.400 0.101 0.000 2.316 144 K HA 0.741 5.061 4.320 0.000 0.000 0.267 144 K C -0.262 176.373 176.600 0.059 0.000 1.025 144 K CA -0.220 56.116 56.287 0.082 0.000 0.896 144 K CB 1.881 34.421 32.500 0.067 0.000 1.124 144 K HN 0.879 nan 8.250 nan 0.000 0.451 145 A N 1.983 124.838 122.820 0.058 0.000 2.340 145 A HA 0.729 5.049 4.320 0.000 0.000 0.331 145 A C -0.510 177.092 177.584 0.029 0.000 1.140 145 A CA -0.591 51.474 52.037 0.047 0.000 0.801 145 A CB 1.054 20.089 19.000 0.059 0.000 1.234 145 A HN 0.692 nan 8.150 nan 0.000 0.469 146 S N -0.243 115.469 115.700 0.020 0.000 2.550 146 S HA 0.715 5.185 4.470 0.000 0.000 0.270 146 S C -1.346 173.257 174.600 0.005 0.000 1.145 146 S CA -0.591 57.612 58.200 0.004 0.000 0.852 146 S CB 1.272 64.470 63.200 -0.002 0.000 1.119 146 S HN 2.005 nan 8.310 nan 0.000 0.465 147 V N 1.131 121.042 119.914 -0.004 0.000 2.777 147 V HA 0.508 4.628 4.120 0.000 0.000 0.306 147 V C -1.709 174.380 176.094 -0.009 0.000 1.112 147 V CA -0.547 61.751 62.300 -0.002 0.000 0.917 147 V CB 1.955 33.779 31.823 0.001 0.000 1.018 147 V HN 1.102 nan 8.190 nan 0.000 0.426 148 D N 4.988 125.384 120.400 -0.007 0.000 2.359 148 D HA 0.554 5.194 4.640 0.000 0.000 0.250 148 D C 0.696 176.990 176.300 -0.010 0.000 1.264 148 D CA 2.203 56.198 54.000 -0.008 0.000 0.911 148 D CB 0.539 41.337 40.800 -0.005 0.000 1.056 148 D HN 1.308 nan 8.370 nan 0.000 0.499 149 G N 4.196 112.987 108.800 -0.014 0.000 2.545 149 G HA2 -0.194 3.766 3.960 0.000 0.000 0.240 149 G HA3 -0.194 3.766 3.960 0.000 0.000 0.240 149 G C -0.333 174.555 174.900 -0.021 0.000 1.172 149 G CA -0.062 45.028 45.100 -0.017 0.000 0.949 149 G HN 0.724 nan 8.290 nan 0.000 0.574 150 R N -0.274 120.215 120.500 -0.019 0.000 2.902 150 R HA 0.806 5.146 4.340 0.000 0.000 0.258 150 R C 0.112 176.405 176.300 -0.011 0.000 1.071 150 R CA -1.062 55.026 56.100 -0.020 0.000 1.024 150 R CB 1.195 31.479 30.300 -0.028 0.000 1.184 150 R HN 0.510 nan 8.270 nan 0.000 0.492 151 L N 0.903 122.121 121.223 -0.008 0.000 2.472 151 L HA 0.264 4.604 4.340 0.000 0.000 0.260 151 L C 0.329 177.198 176.870 -0.001 0.000 1.209 151 L CA -0.064 54.776 54.840 -0.000 0.000 0.817 151 L CB 0.239 42.302 42.059 0.006 0.000 1.106 151 L HN 0.436 nan 8.230 nan 0.000 0.479 152 K N 0.738 121.140 120.400 0.004 0.000 2.323 152 K HA 0.357 4.677 4.320 0.000 0.000 0.259 152 K C -0.111 176.495 176.600 0.009 0.000 0.947 152 K CA -0.643 55.647 56.287 0.004 0.000 0.819 152 K CB 1.811 34.314 32.500 0.005 0.000 1.109 152 K HN 0.754 nan 8.250 nan 0.000 0.429 153 G N 1.390 110.195 108.800 0.008 0.000 2.464 153 G HA2 0.309 4.269 3.960 0.000 0.000 0.231 153 G HA3 0.309 4.269 3.960 0.000 0.000 0.231 153 G C -0.500 174.415 174.900 0.025 0.000 1.267 153 G CA -0.031 45.077 45.100 0.014 0.000 0.863 153 G HN 0.640 nan 8.290 nan 0.000 0.559 154 A N 1.336 124.180 122.820 0.039 0.000 2.609 154 A HA 0.639 4.959 4.320 0.000 0.000 0.291 154 A C -0.810 176.840 177.584 0.111 0.000 1.096 154 A CA -0.701 51.373 52.037 0.061 0.000 0.684 154 A CB 1.104 20.130 19.000 0.043 0.000 1.282 154 A HN 0.926 nan 8.150 nan 0.000 0.412 155 H N 1.325 120.394 119.070 -0.002 0.000 2.761 155 H HA 0.547 5.103 4.556 0.000 0.000 0.284 155 H C -1.061 174.266 175.328 -0.001 0.000 1.105 155 H CA -0.178 55.869 56.048 -0.002 0.000 1.352 155 H CB 0.156 29.917 29.762 -0.002 0.000 1.423 155 H HN 0.449 nan 8.280 nan 0.000 0.464 156 I N 6.368 126.861 120.570 -0.128 0.000 2.355 156 I HA 0.142 4.312 4.170 0.000 0.000 0.288 156 I C -0.406 175.582 176.117 -0.216 0.000 0.999 156 I CA -0.924 60.289 61.300 -0.144 0.000 1.163 156 I CB 1.840 39.806 38.000 -0.055 0.000 1.316 156 I HN 0.263 nan 8.210 nan 0.000 0.454 157 V N 6.881 126.664 119.914 -0.220 0.000 2.350 157 V HA 0.335 4.455 4.120 0.000 0.000 0.276 157 V C 0.494 176.530 176.094 -0.097 0.000 1.028 157 V CA -0.541 61.653 62.300 -0.178 0.000 0.860 157 V CB 1.318 33.030 31.823 -0.186 0.000 0.990 157 V HN 0.647 nan 8.190 nan 0.000 0.453 158 M N 3.046 122.602 119.600 -0.072 0.000 2.188 158 M HA 0.190 4.670 4.480 0.000 0.000 0.354 158 M C 1.138 177.415 176.300 -0.039 0.000 1.342 158 M CA -0.066 55.205 55.300 -0.049 0.000 1.117 158 M CB 0.567 33.141 32.600 -0.043 0.000 1.670 158 M HN 0.620 nan 8.290 nan 0.000 0.466 159 D N 3.184 123.566 120.400 -0.031 0.000 2.116 159 D HA -0.109 4.531 4.640 0.000 0.000 0.193 159 D C 0.351 176.639 176.300 -0.020 0.000 0.998 159 D CA 1.574 55.561 54.000 -0.023 0.000 0.836 159 D CB 0.521 41.312 40.800 -0.015 0.000 0.951 159 D HN 0.627 nan 8.370 nan 0.000 0.449 160 K N -1.013 119.374 120.400 -0.020 0.000 2.409 160 K HA 0.495 4.815 4.320 0.000 0.000 0.252 160 K C -0.782 175.804 176.600 -0.024 0.000 1.036 160 K CA -0.891 55.383 56.287 -0.022 0.000 0.871 160 K CB 2.003 34.490 32.500 -0.022 0.000 1.374 160 K HN -0.335 nan 8.250 nan 0.000 0.459 161 V N 1.524 121.422 119.914 -0.026 0.000 2.470 161 V HA 0.185 4.305 4.120 0.000 0.000 0.276 161 V C -0.304 175.775 176.094 -0.026 0.000 1.040 161 V CA 0.064 62.350 62.300 -0.022 0.000 1.008 161 V CB 0.716 32.528 31.823 -0.019 0.000 0.990 161 V HN 0.792 nan 8.190 nan 0.000 0.477 162 S N 4.257 119.947 115.700 -0.017 0.000 2.736 162 S HA 0.368 4.838 4.470 0.000 0.000 0.285 162 S C 0.481 175.094 174.600 0.020 0.000 1.163 162 S CA -0.618 57.578 58.200 -0.007 0.000 1.025 162 S CB 1.835 65.023 63.200 -0.019 0.000 1.030 162 S HN 0.307 nan 8.310 nan 0.000 0.486 163 V N 5.382 125.331 119.914 0.059 0.000 2.295 163 V HA -0.045 4.075 4.120 0.000 0.000 0.246 163 V C 2.718 178.940 176.094 0.214 0.000 1.049 163 V CA 2.636 65.010 62.300 0.123 0.000 1.024 163 V CB -1.273 30.640 31.823 0.151 0.000 0.648 163 V HN 0.949 nan 8.190 nan 0.000 0.447 164 G N -0.511 108.421 108.800 0.221 0.000 2.446 164 G HA2 -0.216 3.744 3.960 0.000 0.000 0.217 164 G HA3 -0.216 3.744 3.960 0.000 0.000 0.217 164 G C 1.751 176.694 174.900 0.073 0.000 1.168 164 G CA 1.132 46.438 45.100 0.342 0.000 0.771 164 G HN 0.624 nan 8.290 nan 0.000 0.551 165 A N -0.008 122.562 122.820 -0.417 0.000 1.929 165 A HA 0.054 4.374 4.320 0.000 0.000 0.216 165 A C 2.510 179.979 177.584 -0.193 0.000 1.176 165 A CA 2.305 53.951 52.037 -0.651 0.000 0.628 165 A CB -0.905 17.802 19.000 -0.487 0.000 0.816 165 A HN 0.287 nan 8.150 nan 0.000 0.444 166 T N -0.121 114.389 114.554 -0.075 0.000 2.665 166 T HA -0.173 4.178 4.350 0.000 0.000 0.268 166 T C 1.871 176.569 174.700 -0.003 0.000 1.035 166 T CA 1.830 63.916 62.100 -0.023 0.000 1.151 166 T CB -0.493 68.376 68.868 0.002 0.000 0.862 166 T HN 0.149 nan 8.240 nan 0.000 0.438 167 V N 1.194 121.136 119.914 0.047 0.000 2.295 167 V HA -0.198 3.922 4.120 0.000 0.000 0.246 167 V C 2.784 178.871 176.094 -0.012 0.000 1.049 167 V CA 2.078 64.365 62.300 -0.022 0.000 1.024 167 V CB -1.105 30.637 31.823 -0.136 0.000 0.648 167 V HN 0.542 nan 8.190 nan 0.000 0.447 168 T N 0.388 115.018 114.554 0.126 0.000 2.635 168 T HA -0.195 4.155 4.350 0.000 0.000 0.267 168 T C 1.773 176.510 174.700 0.062 0.000 1.040 168 T CA 2.158 64.352 62.100 0.157 0.000 1.156 168 T CB -0.308 68.702 68.868 0.236 0.000 0.863 168 T HN 0.358 nan 8.240 nan 0.000 0.430 169 I N 0.588 121.167 120.570 0.016 0.000 2.142 169 I HA -0.176 3.994 4.170 0.000 0.000 0.240 169 I C 2.608 178.727 176.117 0.003 0.000 1.078 169 I CA 1.289 62.594 61.300 0.008 0.000 1.343 169 I CB -0.422 37.572 38.000 -0.011 0.000 1.046 169 I HN 0.242 nan 8.210 nan 0.000 0.405 170 M N 0.270 119.865 119.600 -0.009 0.000 2.089 170 M HA -0.314 4.166 4.480 0.000 0.000 0.257 170 M C 2.510 178.801 176.300 -0.016 0.000 1.071 170 M CA 2.174 57.465 55.300 -0.015 0.000 1.096 170 M CB -0.258 32.326 32.600 -0.027 0.000 1.330 170 M HN 0.393 nan 8.290 nan 0.000 0.403 171 C N 0.149 119.438 119.300 -0.018 0.000 2.453 171 C HA -0.037 4.423 4.460 0.000 0.000 0.277 171 C C 2.991 177.987 174.990 0.009 0.000 1.262 171 C CA 0.932 59.944 59.018 -0.010 0.000 1.718 171 C CB -1.572 26.159 27.740 -0.015 0.000 2.031 171 C HN 0.756 nan 8.230 nan 0.000 0.480 172 A N 0.561 123.396 122.820 0.024 0.000 1.933 172 A HA 0.036 4.356 4.320 0.000 0.000 0.218 172 A C 2.318 179.909 177.584 0.012 0.000 1.175 172 A CA 2.036 54.091 52.037 0.030 0.000 0.628 172 A CB -0.794 18.233 19.000 0.044 0.000 0.814 172 A HN 0.595 nan 8.150 nan 0.000 0.444 173 A N -0.214 122.609 122.820 0.006 0.000 2.067 173 A HA -0.040 4.280 4.320 0.000 0.000 0.219 173 A C 2.294 179.872 177.584 -0.010 0.000 1.158 173 A CA 2.129 54.166 52.037 -0.000 0.000 0.661 173 A CB -1.319 17.682 19.000 0.002 0.000 0.801 173 A HN 0.811 nan 8.150 nan 0.000 0.452 174 T N -2.184 112.360 114.554 -0.016 0.000 2.977 174 T HA 0.017 4.367 4.350 0.000 0.000 0.271 174 T C 1.064 175.744 174.700 -0.033 0.000 1.105 174 T CA 1.335 63.418 62.100 -0.029 0.000 1.116 174 T CB -0.349 68.495 68.868 -0.041 0.000 0.878 174 T HN 0.322 nan 8.240 nan 0.000 0.509 175 L N 0.393 121.599 121.223 -0.028 0.000 3.066 175 L HA 0.593 4.933 4.340 0.000 0.000 0.265 175 L C 1.004 177.856 176.870 -0.029 0.000 1.232 175 L CA -0.653 54.166 54.840 -0.036 0.000 1.031 175 L CB -0.053 41.977 42.059 -0.048 0.000 1.379 175 L HN 0.270 nan 8.230 nan 0.000 0.563 176 A N -0.048 122.760 122.820 -0.019 0.000 2.252 176 A HA 0.445 4.765 4.320 0.000 0.000 0.305 176 A C -0.028 177.547 177.584 -0.015 0.000 1.097 176 A CA -0.378 51.651 52.037 -0.014 0.000 0.849 176 A CB 0.497 19.494 19.000 -0.005 0.000 1.142 176 A HN 0.262 nan 8.150 nan 0.000 0.499 177 E N 0.110 120.304 120.200 -0.011 0.000 2.129 177 E HA 0.437 4.787 4.350 0.000 0.000 0.283 177 E C 0.698 177.293 176.600 -0.008 0.000 1.080 177 E CA 0.964 57.357 56.400 -0.011 0.000 0.867 177 E CB 0.397 30.091 29.700 -0.010 0.000 1.056 177 E HN 1.227 nan 8.360 nan 0.000 0.404 178 G N 2.893 111.687 108.800 -0.010 0.000 2.508 178 G HA2 -0.211 3.749 3.960 0.000 0.000 0.220 178 G HA3 -0.211 3.749 3.960 0.000 0.000 0.220 178 G C -0.367 174.530 174.900 -0.006 0.000 1.287 178 G CA -0.636 44.459 45.100 -0.008 0.000 0.916 178 G HN 0.455 nan 8.290 nan 0.000 0.574 179 T N 1.364 115.916 114.554 -0.004 0.000 2.794 179 T HA 0.667 5.017 4.350 0.000 0.000 0.280 179 T C 0.038 174.745 174.700 0.012 0.000 0.987 179 T CA 0.337 62.436 62.100 -0.001 0.000 0.993 179 T CB 1.447 70.310 68.868 -0.008 0.000 0.939 179 T HN 0.739 nan 8.240 nan 0.000 0.449 180 T N 3.984 118.549 114.554 0.017 0.000 2.824 180 T HA 0.622 4.972 4.350 0.000 0.000 0.280 180 T C -0.156 174.574 174.700 0.050 0.000 0.995 180 T CA -0.486 61.635 62.100 0.035 0.000 1.009 180 T CB 0.578 69.460 68.868 0.024 0.000 0.955 180 T HN 0.409 nan 8.240 nan 0.000 0.452 181 I N 3.542 124.173 120.570 0.100 0.000 2.439 181 I HA 0.424 4.594 4.170 0.000 0.000 0.285 181 I C -0.514 175.672 176.117 0.115 0.000 1.021 181 I CA -0.736 60.646 61.300 0.137 0.000 1.091 181 I CB 1.593 39.731 38.000 0.231 0.000 1.242 181 I HN 0.464 nan 8.210 nan 0.000 0.439 182 I N 6.084 126.686 120.570 0.053 0.000 2.304 182 I HA 0.265 4.435 4.170 0.000 0.000 0.291 182 I C 0.040 176.160 176.117 0.004 0.000 1.018 182 I CA -0.521 60.783 61.300 0.008 0.000 1.260 182 I CB 0.716 38.715 38.000 -0.001 0.000 1.390 182 I HN 0.452 nan 8.210 nan 0.000 0.475 183 E N 6.000 126.177 120.200 -0.039 0.000 2.204 183 E HA 0.169 4.519 4.350 0.000 0.000 0.276 183 E C 0.070 176.650 176.600 -0.034 0.000 0.974 183 E CA -0.458 55.923 56.400 -0.031 0.000 0.815 183 E CB 1.564 31.219 29.700 -0.075 0.000 1.119 183 E HN 0.660 nan 8.360 nan 0.000 0.393 184 N N 0.566 119.257 118.700 -0.015 0.000 2.780 184 N HA -0.210 4.530 4.740 0.000 0.000 0.248 184 N C -0.642 174.861 175.510 -0.012 0.000 1.102 184 N CA 0.198 53.239 53.050 -0.014 0.000 0.697 184 N CB -0.415 38.058 38.487 -0.023 0.000 1.028 184 N HN 0.554 nan 8.380 nan 0.000 0.554 185 A N 0.359 123.176 122.820 -0.005 0.000 2.406 185 A HA 0.630 4.950 4.320 0.000 0.000 0.243 185 A C 0.844 178.433 177.584 0.009 0.000 1.082 185 A CA 0.436 52.472 52.037 -0.001 0.000 0.786 185 A CB 0.573 19.575 19.000 0.003 0.000 1.029 185 A HN 0.594 nan 8.150 nan 0.000 0.495 186 A N 0.704 123.532 122.820 0.013 0.000 2.388 186 A HA 0.506 4.826 4.320 0.000 0.000 0.257 186 A C 0.724 178.332 177.584 0.041 0.000 1.095 186 A CA -0.308 51.746 52.037 0.029 0.000 0.791 186 A CB 0.072 19.092 19.000 0.033 0.000 1.029 186 A HN 0.771 nan 8.150 nan 0.000 0.489 187 R N 0.471 121.013 120.500 0.070 0.000 2.393 187 R HA 0.169 4.509 4.340 0.000 0.000 0.244 187 R C -0.452 175.921 176.300 0.121 0.000 0.920 187 R CA -0.108 56.051 56.100 0.099 0.000 1.076 187 R CB 0.106 30.477 30.300 0.119 0.000 1.119 187 R HN 0.766 nan 8.270 nan 0.000 0.524 188 E N 1.281 121.511 120.200 0.051 0.000 2.568 188 E HA -0.059 4.291 4.350 0.000 0.000 0.262 188 E C -1.576 174.934 176.600 -0.150 0.000 0.961 188 E CA -1.028 55.309 56.400 -0.106 0.000 0.945 188 E CB 0.429 30.100 29.700 -0.049 0.000 0.924 188 E HN -0.060 nan 8.360 nan 0.000 0.467 189 P HA -0.195 nan 4.420 nan 0.000 0.217 189 P C 0.365 177.618 177.300 -0.078 0.000 1.151 189 P CA 1.298 64.298 63.100 -0.166 0.000 0.849 189 P CB 0.275 31.849 31.700 -0.209 0.000 0.787 190 E N -1.005 119.148 120.200 -0.079 0.000 2.204 190 E HA -0.108 4.242 4.350 0.000 0.000 0.195 190 E C 1.963 178.539 176.600 -0.041 0.000 0.990 190 E CA 0.762 57.139 56.400 -0.040 0.000 0.821 190 E CB -0.806 28.884 29.700 -0.018 0.000 0.750 190 E HN 0.301 nan 8.360 nan 0.000 0.477 191 I N -0.198 120.351 120.570 -0.034 0.000 2.353 191 I HA -0.193 3.977 4.170 0.000 0.000 0.248 191 I C 1.879 177.981 176.117 -0.025 0.000 1.119 191 I CA 0.506 61.787 61.300 -0.032 0.000 1.417 191 I CB -0.065 37.930 38.000 -0.009 0.000 1.078 191 I HN 0.030 nan 8.210 nan 0.000 0.421 192 V N 0.769 120.677 119.914 -0.010 0.000 2.261 192 V HA -0.320 3.800 4.120 0.000 0.000 0.246 192 V C 2.162 178.270 176.094 0.024 0.000 1.047 192 V CA 2.206 64.512 62.300 0.009 0.000 1.015 192 V CB -0.586 31.248 31.823 0.019 0.000 0.642 192 V HN 0.373 nan 8.190 nan 0.000 0.446 193 D N -0.168 120.253 120.400 0.035 0.000 2.104 193 D HA -0.163 4.477 4.640 0.000 0.000 0.194 193 D C 2.279 178.565 176.300 -0.023 0.000 0.994 193 D CA 1.944 55.998 54.000 0.090 0.000 0.830 193 D CB -0.205 40.657 40.800 0.104 0.000 0.959 193 D HN 0.405 nan 8.370 nan 0.000 0.452 194 T N -0.312 114.203 114.554 -0.064 0.000 2.746 194 T HA -0.125 4.225 4.350 0.000 0.000 0.267 194 T C 1.913 176.582 174.700 -0.052 0.000 1.039 194 T CA 1.472 63.515 62.100 -0.096 0.000 1.142 194 T CB -0.442 68.343 68.868 -0.139 0.000 0.866 194 T HN 0.225 nan 8.240 nan 0.000 0.444 195 A N 2.440 125.232 122.820 -0.047 0.000 1.902 195 A HA -0.165 4.155 4.320 0.000 0.000 0.217 195 A C 2.239 179.789 177.584 -0.057 0.000 1.181 195 A CA 1.583 53.595 52.037 -0.042 0.000 0.623 195 A CB -0.651 18.335 19.000 -0.023 0.000 0.818 195 A HN 0.382 nan 8.150 nan 0.000 0.443 196 N N -1.021 117.656 118.700 -0.038 0.000 2.223 196 N HA -0.125 4.615 4.740 0.000 0.000 0.185 196 N C 1.351 176.749 175.510 -0.187 0.000 1.016 196 N CA 1.438 54.483 53.050 -0.009 0.000 0.863 196 N CB -0.596 37.998 38.487 0.180 0.000 0.983 196 N HN 0.590 nan 8.380 nan 0.000 0.429 197 F N 1.462 120.990 119.950 -0.703 0.000 2.146 197 F HA 0.012 4.539 4.527 -0.000 0.000 0.298 197 F C 1.971 177.561 175.800 -0.350 0.000 1.096 197 F CA 0.911 58.392 58.000 -0.865 0.000 1.275 197 F CB -0.339 38.109 39.000 -0.920 0.000 1.008 197 F HN -0.078 nan 8.300 nan 0.000 0.480 198 L N 0.049 121.072 121.223 -0.334 0.000 2.046 198 L HA -0.241 4.099 4.340 0.000 0.000 0.208 198 L C 2.531 179.230 176.870 -0.285 0.000 1.077 198 L CA 1.527 56.166 54.840 -0.336 0.000 0.747 198 L CB -0.683 41.297 42.059 -0.133 0.000 0.896 198 L HN 0.204 nan 8.230 nan 0.000 0.432 199 I N -0.635 119.823 120.570 -0.187 0.000 2.226 199 I HA -0.289 3.881 4.170 0.000 0.000 0.245 199 I C 2.448 178.485 176.117 -0.134 0.000 1.100 199 I CA 1.435 62.663 61.300 -0.121 0.000 1.374 199 I CB -0.420 37.545 38.000 -0.059 0.000 1.057 199 I HN 0.249 nan 8.210 nan 0.000 0.413 200 T N 1.249 115.705 114.554 -0.163 0.000 2.778 200 T HA -0.148 4.202 4.350 0.000 0.000 0.269 200 T C 1.713 176.297 174.700 -0.193 0.000 1.050 200 T CA 1.201 63.223 62.100 -0.130 0.000 1.137 200 T CB -0.228 68.605 68.868 -0.059 0.000 0.860 200 T HN 0.295 nan 8.240 nan 0.000 0.468 201 L N -0.090 120.940 121.223 -0.322 0.000 2.599 201 L HA 0.260 4.600 4.340 0.000 0.000 0.230 201 L C 1.851 178.621 176.870 -0.168 0.000 1.141 201 L CA 0.458 55.132 54.840 -0.278 0.000 0.877 201 L CB -0.170 41.649 42.059 -0.401 0.000 1.009 201 L HN 0.493 nan 8.230 nan 0.000 0.447 202 G N -0.349 108.366 108.800 -0.141 0.000 2.159 202 G HA2 -0.139 3.821 3.960 0.000 0.000 0.170 202 G HA3 -0.139 3.821 3.960 0.000 0.000 0.170 202 G C 0.248 175.095 174.900 -0.088 0.000 1.007 202 G CA -0.181 44.863 45.100 -0.094 0.000 0.672 202 G HN 0.410 nan 8.290 nan 0.000 0.507 203 A N -0.085 122.671 122.820 -0.107 0.000 2.287 203 A HA 0.758 5.078 4.320 0.000 0.000 0.273 203 A C 0.395 177.941 177.584 -0.063 0.000 1.091 203 A CA 0.003 51.989 52.037 -0.085 0.000 0.817 203 A CB 0.546 19.487 19.000 -0.098 0.000 1.069 203 A HN 0.344 nan 8.150 nan 0.000 0.492 204 K N 1.074 121.445 120.400 -0.047 0.000 2.464 204 K HA 0.565 4.885 4.320 0.000 0.000 0.252 204 K C -1.517 175.066 176.600 -0.028 0.000 1.000 204 K CA 0.325 56.592 56.287 -0.035 0.000 0.951 204 K CB 1.025 33.508 32.500 -0.028 0.000 1.183 204 K HN 0.574 nan 8.250 nan 0.000 0.445 205 I N 1.589 122.143 120.570 -0.027 0.000 2.582 205 I HA 0.310 4.480 4.170 0.000 0.000 0.292 205 I C -0.385 175.725 176.117 -0.011 0.000 1.066 205 I CA -0.653 60.635 61.300 -0.020 0.000 1.053 205 I CB 2.299 40.284 38.000 -0.025 0.000 1.241 205 I HN 0.528 nan 8.210 nan 0.000 0.421 206 S N 2.444 118.141 115.700 -0.005 0.000 2.564 206 S HA 0.816 5.286 4.470 0.000 0.000 0.274 206 S C 0.191 174.794 174.600 0.004 0.000 1.124 206 S CA -0.020 58.180 58.200 -0.000 0.000 0.869 206 S CB 2.031 65.231 63.200 -0.001 0.000 1.105 206 S HN 1.320 nan 8.310 nan 0.000 0.472 207 G N 0.966 109.771 108.800 0.007 0.000 2.175 207 G HA2 -0.235 3.725 3.960 0.000 0.000 0.244 207 G HA3 -0.235 3.725 3.960 0.000 0.000 0.244 207 G C 0.112 175.020 174.900 0.014 0.000 0.982 207 G CA 0.055 45.162 45.100 0.011 0.000 0.641 207 G HN 1.288 nan 8.290 nan 0.000 0.527 208 Q N 0.383 120.189 119.800 0.011 0.000 2.283 208 Q HA 0.366 4.706 4.340 0.000 0.000 0.301 208 Q C 1.173 177.187 176.000 0.022 0.000 1.063 208 Q CA 1.148 56.959 55.803 0.013 0.000 0.952 208 Q CB 0.712 29.455 28.738 0.008 0.000 1.166 208 Q HN 1.887 nan 8.270 nan 0.000 0.381 209 G N 2.155 110.972 108.800 0.029 0.000 2.175 209 G HA2 -0.289 3.671 3.960 0.000 0.000 0.244 209 G HA3 -0.289 3.671 3.960 0.000 0.000 0.244 209 G C 0.210 175.136 174.900 0.045 0.000 0.982 209 G CA 0.420 45.548 45.100 0.046 0.000 0.641 209 G HN 1.190 nan 8.290 nan 0.000 0.527 210 T N -2.124 112.448 114.554 0.030 0.000 2.927 210 T HA 0.567 4.917 4.350 0.000 0.000 0.286 210 T C 0.977 175.690 174.700 0.021 0.000 1.040 210 T CA 0.627 62.742 62.100 0.024 0.000 1.010 210 T CB 1.770 70.649 68.868 0.018 0.000 1.177 210 T HN 0.183 nan 8.240 nan 0.000 0.546 211 D N -0.757 119.653 120.400 0.017 0.000 2.363 211 D HA 0.002 4.642 4.640 0.000 0.000 0.220 211 D C 0.731 177.040 176.300 0.015 0.000 0.994 211 D CA 0.268 54.276 54.000 0.014 0.000 0.890 211 D CB -0.070 40.736 40.800 0.009 0.000 0.906 211 D HN 0.591 nan 8.370 nan 0.000 0.530 212 R N 0.458 120.970 120.500 0.020 0.000 2.451 212 R HA 0.516 4.856 4.340 0.000 0.000 0.307 212 R C -1.250 175.064 176.300 0.023 0.000 0.965 212 R CA -0.561 55.555 56.100 0.027 0.000 0.865 212 R CB 0.701 31.022 30.300 0.035 0.000 1.174 212 R HN -0.025 nan 8.270 nan 0.000 0.455 213 I N 4.871 125.454 120.570 0.023 0.000 2.378 213 I HA 0.343 4.513 4.170 0.000 0.000 0.291 213 I C -0.546 175.584 176.117 0.021 0.000 0.992 213 I CA -1.237 60.073 61.300 0.016 0.000 1.154 213 I CB 2.099 40.105 38.000 0.008 0.000 1.315 213 I HN 0.284 nan 8.210 nan 0.000 0.448 214 V N 7.452 127.375 119.914 0.014 0.000 2.384 214 V HA 0.428 4.548 4.120 0.000 0.000 0.287 214 V C -0.236 175.860 176.094 0.003 0.000 1.020 214 V CA -0.437 61.870 62.300 0.012 0.000 0.850 214 V CB 1.627 33.454 31.823 0.007 0.000 0.987 214 V HN 0.426 nan 8.190 nan 0.000 0.436 215 I N 4.100 124.672 120.570 0.003 0.000 2.389 215 I HA 0.443 4.613 4.170 0.000 0.000 0.288 215 I C -0.091 176.022 176.117 -0.007 0.000 0.999 215 I CA -0.444 60.852 61.300 -0.006 0.000 1.129 215 I CB 1.826 39.822 38.000 -0.007 0.000 1.288 215 I HN 0.663 nan 8.210 nan 0.000 0.444 216 E N 4.827 125.019 120.200 -0.014 0.000 2.146 216 E HA 0.577 4.927 4.350 0.000 0.000 0.282 216 E C 0.212 176.800 176.600 -0.019 0.000 0.989 216 E CA -0.577 55.814 56.400 -0.015 0.000 0.799 216 E CB 1.189 30.879 29.700 -0.016 0.000 1.088 216 E HN 0.748 nan 8.360 nan 0.000 0.397 217 G N 2.833 111.623 108.800 -0.017 0.000 2.305 217 G HA2 0.309 4.269 3.960 0.000 0.000 0.243 217 G HA3 0.309 4.269 3.960 0.000 0.000 0.243 217 G C -0.354 174.531 174.900 -0.026 0.000 1.288 217 G CA -0.315 44.773 45.100 -0.021 0.000 0.901 217 G HN 0.429 nan 8.290 nan 0.000 0.516 218 V N 1.486 121.381 119.914 -0.032 0.000 3.204 218 V HA 0.436 4.556 4.120 0.000 0.000 0.316 218 V C 1.177 177.248 176.094 -0.038 0.000 1.160 218 V CA -0.236 62.043 62.300 -0.036 0.000 1.044 218 V CB 1.986 33.783 31.823 -0.043 0.000 1.136 218 V HN 0.989 nan 8.190 nan 0.000 0.455 219 E N 0.959 121.135 120.200 -0.040 0.000 2.447 219 E HA 0.212 4.562 4.350 0.000 0.000 0.204 219 E C 0.445 177.014 176.600 -0.052 0.000 0.977 219 E CA -0.209 56.166 56.400 -0.042 0.000 0.950 219 E CB 0.601 30.280 29.700 -0.035 0.000 0.975 219 E HN 0.647 nan 8.360 nan 0.000 0.496 220 R N 0.039 120.507 120.500 -0.053 0.000 2.664 220 R HA 0.402 4.742 4.340 0.000 0.000 0.266 220 R C -1.860 174.403 176.300 -0.062 0.000 1.046 220 R CA -0.824 55.239 56.100 -0.061 0.000 0.885 220 R CB 0.659 30.925 30.300 -0.056 0.000 1.254 220 R HN 0.024 nan 8.270 nan 0.000 0.465 221 L N 1.115 122.298 121.223 -0.068 0.000 2.342 221 L HA 0.662 5.002 4.340 0.000 0.000 0.271 221 L C 0.750 177.580 176.870 -0.067 0.000 1.008 221 L CA -0.566 54.227 54.840 -0.078 0.000 0.818 221 L CB 2.175 44.177 42.059 -0.095 0.000 1.296 221 L HN 0.981 nan 8.230 nan 0.000 0.427 222 G N 0.323 109.078 108.800 -0.076 0.000 2.882 222 G HA2 0.675 4.635 3.960 0.000 0.000 0.164 222 G HA3 0.675 4.635 3.960 0.000 0.000 0.164 222 G C -0.194 174.675 174.900 -0.052 0.000 1.429 222 G CA 0.115 45.184 45.100 -0.053 0.000 1.059 222 G HN 0.745 nan 8.290 nan 0.000 0.581 223 G N -2.839 105.940 108.800 -0.035 0.000 3.209 223 G HA2 0.746 4.706 3.960 0.000 0.000 0.236 223 G HA3 0.746 4.706 3.960 0.000 0.000 0.236 223 G C -0.177 174.713 174.900 -0.016 0.000 1.329 223 G CA 0.021 45.115 45.100 -0.010 0.000 1.015 223 G HN 1.868 nan 8.290 nan 0.000 0.571 224 G N -2.769 106.053 108.800 0.037 0.000 2.350 224 G HA2 0.478 4.438 3.960 0.000 0.000 0.282 224 G HA3 0.478 4.438 3.960 0.000 0.000 0.282 224 G C -1.977 172.994 174.900 0.118 0.000 1.314 224 G CA 0.076 45.208 45.100 0.053 0.000 0.915 224 G HN 1.337 nan 8.290 nan 0.000 0.499 225 V N 0.353 120.347 119.914 0.133 0.000 2.588 225 V HA 0.767 4.887 4.120 0.000 0.000 0.304 225 V C -1.233 175.005 176.094 0.240 0.000 1.042 225 V CA -0.574 61.821 62.300 0.157 0.000 0.877 225 V CB 1.654 33.531 31.823 0.090 0.000 0.996 225 V HN 0.998 nan 8.190 nan 0.000 0.425 226 Y N 3.925 124.291 120.300 0.110 0.000 2.479 226 Y HA 0.591 5.141 4.550 0.000 0.000 0.338 226 Y C -0.318 175.607 175.900 0.041 0.000 1.055 226 Y CA -0.786 57.386 58.100 0.119 0.000 1.023 226 Y CB 1.698 40.339 38.460 0.301 0.000 1.287 226 Y HN 0.621 nan 8.280 nan 0.000 0.447 227 R N 5.019 125.242 120.500 -0.462 0.000 2.294 227 R HA 0.627 4.967 4.340 0.000 0.000 0.319 227 R C -1.490 174.645 176.300 -0.274 0.000 0.984 227 R CA -0.562 55.369 56.100 -0.280 0.000 0.861 227 R CB 0.997 31.156 30.300 -0.235 0.000 1.104 227 R HN 0.599 nan 8.270 nan 0.000 0.451 228 V N 6.541 126.431 119.914 -0.040 0.000 2.637 228 V HA 0.063 4.183 4.120 0.000 0.000 0.296 228 V C 0.934 177.024 176.094 -0.007 0.000 1.046 228 V CA -0.321 62.002 62.300 0.039 0.000 1.066 228 V CB 0.846 32.681 31.823 0.021 0.000 0.968 228 V HN 0.694 nan 8.190 nan 0.000 0.483 229 L N 5.346 126.582 121.223 0.022 0.000 2.474 229 L HA 0.502 4.842 4.340 0.000 0.000 0.259 229 L C -2.341 174.529 176.870 0.000 0.000 1.232 229 L CA -1.463 53.377 54.840 0.001 0.000 0.821 229 L CB -0.195 41.873 42.059 0.014 0.000 1.108 229 L HN 0.350 nan 8.230 nan 0.000 0.495 230 P HA 0.044 nan 4.420 nan 0.000 0.272 230 P C -1.215 176.092 177.300 0.011 0.000 1.223 230 P CA -0.094 63.013 63.100 0.011 0.000 0.784 230 P CB 0.395 32.105 31.700 0.017 0.000 0.923 231 D N 2.390 122.804 120.400 0.022 0.000 2.352 231 D HA 0.006 4.646 4.640 0.000 0.000 0.245 231 D C 1.363 177.679 176.300 0.028 0.000 1.224 231 D CA -0.129 53.880 54.000 0.015 0.000 0.879 231 D CB 0.598 41.408 40.800 0.017 0.000 1.057 231 D HN 0.337 nan 8.370 nan 0.000 0.491 232 R N 3.861 124.363 120.500 0.003 0.000 2.120 232 R HA -0.122 4.218 4.340 0.000 0.000 0.234 232 R C 1.452 177.761 176.300 0.017 0.000 1.123 232 R CA 0.555 56.659 56.100 0.007 0.000 0.975 232 R CB -0.168 30.117 30.300 -0.025 0.000 0.866 232 R HN 0.353 nan 8.270 nan 0.000 0.446 233 I N 1.874 122.444 120.570 0.000 0.000 2.252 233 I HA -0.156 4.014 4.170 0.000 0.000 0.245 233 I C 2.539 178.703 176.117 0.078 0.000 1.102 233 I CA 1.302 62.608 61.300 0.009 0.000 1.385 233 I CB -1.236 36.742 38.000 -0.037 0.000 1.064 233 I HN 0.350 nan 8.210 nan 0.000 0.414 234 E N 0.875 121.136 120.200 0.101 0.000 2.077 234 E HA -0.195 4.155 4.350 0.000 0.000 0.193 234 E C 2.061 178.819 176.600 0.263 0.000 0.989 234 E CA 2.014 58.552 56.400 0.230 0.000 0.800 234 E CB 0.157 30.025 29.700 0.280 0.000 0.746 234 E HN 0.412 nan 8.360 nan 0.000 0.452 235 T N -0.210 114.469 114.554 0.209 0.000 2.684 235 T HA -0.161 4.189 4.350 0.000 0.000 0.267 235 T C 1.753 176.557 174.700 0.174 0.000 1.036 235 T CA 1.330 63.554 62.100 0.207 0.000 1.148 235 T CB -0.688 68.254 68.868 0.125 0.000 0.863 235 T HN 0.401 nan 8.240 nan 0.000 0.436 236 G N 0.945 109.814 108.800 0.114 0.000 2.422 236 G HA2 -0.196 3.764 3.960 0.000 0.000 0.218 236 G HA3 -0.196 3.764 3.960 0.000 0.000 0.218 236 G C 1.701 176.643 174.900 0.070 0.000 1.146 236 G CA 1.379 46.542 45.100 0.106 0.000 0.769 236 G HN 0.472 nan 8.290 nan 0.000 0.547 237 T N 1.016 115.578 114.554 0.014 0.000 2.746 237 T HA -0.068 4.282 4.350 0.000 0.000 0.267 237 T C 1.997 176.563 174.700 -0.224 0.000 1.039 237 T CA 0.993 63.004 62.100 -0.149 0.000 1.142 237 T CB -0.287 68.422 68.868 -0.265 0.000 0.866 237 T HN 0.229 nan 8.240 nan 0.000 0.444 238 F N 0.869 120.829 119.950 0.016 0.000 2.293 238 F HA 0.233 4.760 4.527 0.000 0.000 0.297 238 F C 2.055 177.848 175.800 -0.012 0.000 1.089 238 F CA 0.196 58.191 58.000 -0.007 0.000 1.377 238 F CB -0.715 38.290 39.000 0.008 0.000 1.051 238 F HN 0.060 nan 8.300 nan 0.000 0.511 239 L N -0.868 120.457 121.223 0.171 0.000 2.042 239 L HA -0.218 4.122 4.340 0.000 0.000 0.210 239 L C 2.361 179.240 176.870 0.015 0.000 1.076 239 L CA 0.792 55.688 54.840 0.095 0.000 0.749 239 L CB -0.829 41.290 42.059 0.100 0.000 0.893 239 L HN -0.036 nan 8.230 nan 0.000 0.432 240 V N -0.109 119.780 119.914 -0.042 0.000 2.358 240 V HA -0.262 3.858 4.120 0.000 0.000 0.246 240 V C 2.750 178.778 176.094 -0.110 0.000 1.047 240 V CA 1.633 63.840 62.300 -0.154 0.000 1.035 240 V CB -0.726 30.949 31.823 -0.247 0.000 0.658 240 V HN 0.477 nan 8.190 nan 0.000 0.452 241 A N 0.133 122.912 122.820 -0.069 0.000 1.917 241 A HA -0.236 4.084 4.320 0.000 0.000 0.219 241 A C 2.423 179.998 177.584 -0.016 0.000 1.182 241 A CA 2.474 54.486 52.037 -0.041 0.000 0.633 241 A CB -0.834 18.171 19.000 0.009 0.000 0.819 241 A HN 0.592 nan 8.150 nan 0.000 0.448 242 A N -0.363 122.463 122.820 0.009 0.000 1.873 242 A HA 0.193 4.513 4.320 0.000 0.000 0.215 242 A C 2.517 180.085 177.584 -0.028 0.000 1.186 242 A CA 2.085 54.121 52.037 -0.002 0.000 0.616 242 A CB -1.077 17.929 19.000 0.010 0.000 0.823 242 A HN 1.165 nan 8.150 nan 0.000 0.442 243 A N 0.356 123.150 122.820 -0.043 0.000 2.019 243 A HA -0.058 4.262 4.320 0.000 0.000 0.219 243 A C 2.061 179.610 177.584 -0.059 0.000 1.164 243 A CA 1.519 53.524 52.037 -0.054 0.000 0.644 243 A CB -0.778 18.176 19.000 -0.077 0.000 0.805 243 A HN 0.977 nan 8.150 nan 0.000 0.449 244 I N -2.844 117.685 120.570 -0.068 0.000 3.228 244 I HA 0.034 4.204 4.170 0.000 0.000 0.279 244 I C 1.722 177.814 176.117 -0.041 0.000 1.221 244 I CA 1.270 62.534 61.300 -0.061 0.000 1.458 244 I CB -0.048 37.906 38.000 -0.077 0.000 1.105 244 I HN 0.218 nan 8.210 nan 0.000 0.445 245 S N 0.767 116.446 115.700 -0.036 0.000 2.605 245 S HA 0.268 4.738 4.470 0.000 0.000 0.217 245 S C 0.912 175.500 174.600 -0.020 0.000 0.958 245 S CA -0.503 57.681 58.200 -0.026 0.000 0.919 245 S CB -0.334 62.851 63.200 -0.024 0.000 0.780 245 S HN 0.570 nan 8.310 nan 0.000 0.507 246 R N 0.116 120.603 120.500 -0.021 0.000 3.525 246 R HA -0.126 4.214 4.340 0.000 0.000 0.276 246 R C 0.681 176.969 176.300 -0.021 0.000 1.116 246 R CA 0.391 56.481 56.100 -0.016 0.000 0.745 246 R CB -2.372 27.925 30.300 -0.006 0.000 1.185 246 R HN 0.629 nan 8.270 nan 0.000 0.454 247 G N 0.742 109.525 108.800 -0.028 0.000 2.736 247 G HA2 0.637 4.597 3.960 0.000 0.000 0.229 247 G HA3 0.637 4.597 3.960 0.000 0.000 0.229 247 G C -0.570 174.302 174.900 -0.047 0.000 1.380 247 G CA -0.369 44.713 45.100 -0.030 0.000 1.040 247 G HN 0.154 nan 8.290 nan 0.000 0.568 248 K N -1.557 118.819 120.400 -0.041 0.000 2.542 248 K HA 0.712 5.032 4.320 0.000 0.000 0.259 248 K C -1.909 174.673 176.600 -0.029 0.000 0.932 248 K CA -0.790 55.467 56.287 -0.050 0.000 0.820 248 K CB 2.442 34.901 32.500 -0.068 0.000 1.345 248 K HN 0.520 nan 8.250 nan 0.000 0.432 249 I N 2.921 123.483 120.570 -0.015 0.000 2.841 249 I HA 0.445 4.615 4.170 0.000 0.000 0.298 249 I C -1.654 174.473 176.117 0.017 0.000 1.304 249 I CA -1.290 60.008 61.300 -0.003 0.000 1.019 249 I CB 1.959 39.970 38.000 0.018 0.000 1.282 249 I HN 0.668 nan 8.210 nan 0.000 0.432 250 I N 5.483 126.054 120.570 0.001 0.000 2.433 250 I HA 0.341 4.511 4.170 0.000 0.000 0.292 250 I C -0.674 175.464 176.117 0.035 0.000 1.001 250 I CA -0.552 60.768 61.300 0.032 0.000 1.119 250 I CB 1.310 39.284 38.000 -0.043 0.000 1.289 250 I HN 0.476 nan 8.210 nan 0.000 0.438 251 C N 6.264 125.626 119.300 0.103 0.000 2.273 251 C HA 0.544 5.004 4.460 0.000 0.000 0.328 251 C C 0.589 175.653 174.990 0.122 0.000 1.275 251 C CA -0.751 58.315 59.018 0.080 0.000 1.704 251 C CB 0.595 28.398 27.740 0.104 0.000 2.326 251 C HN 0.600 nan 8.230 nan 0.000 0.517 252 R N 2.384 122.922 120.500 0.064 0.000 2.540 252 R HA 0.329 4.669 4.340 0.000 0.000 0.287 252 R C 0.144 176.483 176.300 0.065 0.000 0.980 252 R CA -0.469 55.679 56.100 0.080 0.000 0.966 252 R CB 0.413 30.728 30.300 0.025 0.000 1.106 252 R HN 0.821 nan 8.270 nan 0.000 0.480 253 N N -0.998 117.749 118.700 0.078 0.000 2.815 253 N HA -0.169 4.571 4.740 0.000 0.000 0.248 253 N C -1.258 174.282 175.510 0.049 0.000 1.110 253 N CA 1.049 54.130 53.050 0.051 0.000 0.699 253 N CB -0.678 37.826 38.487 0.029 0.000 1.040 253 N HN 0.784 nan 8.380 nan 0.000 0.555 254 A N -0.040 122.817 122.820 0.061 0.000 2.269 254 A HA 0.739 5.059 4.320 0.000 0.000 0.327 254 A C 0.156 177.746 177.584 0.011 0.000 1.112 254 A CA -0.339 51.724 52.037 0.043 0.000 0.865 254 A CB 1.111 20.145 19.000 0.058 0.000 1.227 254 A HN 0.246 nan 8.150 nan 0.000 0.498 255 Q N 0.365 120.165 119.800 0.000 0.000 2.932 255 Q HA 0.321 4.661 4.340 0.000 0.000 0.248 255 Q C -2.292 173.694 176.000 -0.024 0.000 0.982 255 Q CA -1.728 54.065 55.803 -0.017 0.000 0.730 255 Q CB 1.146 29.878 28.738 -0.010 0.000 1.249 255 Q HN 0.425 nan 8.270 nan 0.000 0.476 256 P HA -0.204 nan 4.420 nan 0.000 0.216 256 P C 0.588 177.871 177.300 -0.028 0.000 1.150 256 P CA 1.560 64.627 63.100 -0.055 0.000 0.843 256 P CB 0.160 31.788 31.700 -0.119 0.000 0.787 257 D N -2.137 118.249 120.400 -0.024 0.000 2.403 257 D HA -0.108 4.532 4.640 0.000 0.000 0.227 257 D C 1.263 177.586 176.300 0.038 0.000 0.995 257 D CA 1.163 55.163 54.000 -0.001 0.000 0.928 257 D CB -1.446 39.353 40.800 -0.002 0.000 0.887 257 D HN 0.077 nan 8.370 nan 0.000 0.529 258 T N -0.561 114.012 114.554 0.032 0.000 3.065 258 T HA 0.232 4.582 4.350 0.000 0.000 0.252 258 T C 1.125 175.873 174.700 0.080 0.000 1.099 258 T CA 0.061 62.191 62.100 0.051 0.000 1.063 258 T CB 0.075 68.941 68.868 -0.003 0.000 0.948 258 T HN 0.162 nan 8.240 nan 0.000 0.506 259 L N 0.401 121.652 121.223 0.048 0.000 3.267 259 L HA 0.271 4.611 4.340 0.000 0.000 0.289 259 L C 0.982 177.863 176.870 0.018 0.000 1.260 259 L CA -0.202 54.655 54.840 0.029 0.000 1.034 259 L CB 0.533 42.604 42.059 0.020 0.000 1.413 259 L HN -0.025 nan 8.230 nan 0.000 0.594 260 D N 1.597 122.009 120.400 0.019 0.000 2.127 260 D HA -0.252 4.388 4.640 0.000 0.000 0.190 260 D C 2.161 178.463 176.300 0.003 0.000 1.000 260 D CA 1.901 55.902 54.000 0.001 0.000 0.839 260 D CB 0.123 40.914 40.800 -0.016 0.000 0.955 260 D HN 0.379 nan 8.370 nan 0.000 0.446 261 A N 0.654 123.468 122.820 -0.010 0.000 1.908 261 A HA -0.175 4.145 4.320 0.000 0.000 0.218 261 A C 2.624 180.234 177.584 0.043 0.000 1.181 261 A CA 1.717 53.763 52.037 0.015 0.000 0.627 261 A CB -0.866 18.145 19.000 0.019 0.000 0.818 261 A HN 0.173 nan 8.150 nan 0.000 0.445 262 V N 0.099 119.998 119.914 -0.024 0.000 2.343 262 V HA -0.243 3.877 4.120 0.000 0.000 0.247 262 V C 2.562 178.743 176.094 0.146 0.000 1.051 262 V CA 1.938 64.242 62.300 0.006 0.000 1.036 262 V CB -0.703 31.093 31.823 -0.046 0.000 0.654 262 V HN 0.574 nan 8.190 nan 0.000 0.451 263 L N 0.007 121.288 121.223 0.096 0.000 2.093 263 L HA -0.122 4.218 4.340 0.000 0.000 0.208 263 L C 2.740 179.670 176.870 0.100 0.000 1.085 263 L CA 1.458 56.358 54.840 0.102 0.000 0.755 263 L CB -0.873 41.220 42.059 0.055 0.000 0.904 263 L HN 0.358 nan 8.230 nan 0.000 0.435 264 A N 0.065 122.929 122.820 0.073 0.000 1.902 264 A HA -0.235 4.085 4.320 0.000 0.000 0.217 264 A C 2.301 179.934 177.584 0.080 0.000 1.181 264 A CA 1.804 53.876 52.037 0.059 0.000 0.623 264 A CB -0.339 18.681 19.000 0.034 0.000 0.818 264 A HN 0.166 nan 8.150 nan 0.000 0.443 265 K N -0.275 120.190 120.400 0.108 0.000 2.097 265 K HA 0.104 4.424 4.320 0.000 0.000 0.205 265 K C 1.753 178.508 176.600 0.257 0.000 1.050 265 K CA 0.916 57.279 56.287 0.126 0.000 0.938 265 K CB -0.459 32.053 32.500 0.020 0.000 0.718 265 K HN 0.503 nan 8.250 nan 0.000 0.442 266 L N 0.009 121.419 121.223 0.312 0.000 2.083 266 L HA -0.170 4.170 4.340 0.000 0.000 0.209 266 L C 2.295 179.249 176.870 0.140 0.000 1.083 266 L CA 1.278 56.269 54.840 0.252 0.000 0.752 266 L CB -0.258 41.933 42.059 0.219 0.000 0.899 266 L HN 0.143 nan 8.230 nan 0.000 0.433 267 R N -0.058 120.509 120.500 0.113 0.000 2.081 267 R HA -0.168 4.172 4.340 0.000 0.000 0.235 267 R C 1.820 178.162 176.300 0.070 0.000 1.131 267 R CA 1.594 57.742 56.100 0.079 0.000 0.960 267 R CB -0.452 29.887 30.300 0.064 0.000 0.856 267 R HN 0.352 nan 8.270 nan 0.000 0.436 268 D N 0.503 120.946 120.400 0.071 0.000 2.218 268 D HA -0.110 4.530 4.640 0.000 0.000 0.204 268 D C 1.460 177.792 176.300 0.055 0.000 0.976 268 D CA 1.259 55.289 54.000 0.050 0.000 0.853 268 D CB -0.078 40.741 40.800 0.032 0.000 0.939 268 D HN 0.282 nan 8.370 nan 0.000 0.481 269 A N -0.472 122.396 122.820 0.080 0.000 2.208 269 A HA 0.420 4.740 4.320 0.000 0.000 0.209 269 A C 1.722 179.336 177.584 0.050 0.000 1.161 269 A CA 1.044 53.121 52.037 0.067 0.000 0.782 269 A CB 0.010 19.061 19.000 0.084 0.000 0.816 269 A HN 0.251 nan 8.150 nan 0.000 0.477 270 G N -2.327 106.507 108.800 0.056 0.000 2.138 270 G HA2 0.195 4.155 3.960 0.000 0.000 0.193 270 G HA3 0.195 4.155 3.960 0.000 0.000 0.193 270 G C 0.271 175.209 174.900 0.063 0.000 0.998 270 G CA 0.092 45.225 45.100 0.055 0.000 0.668 270 G HN 1.427 nan 8.290 nan 0.000 0.516 271 A N -0.087 122.769 122.820 0.059 0.000 2.302 271 A HA 0.627 4.947 4.320 0.000 0.000 0.285 271 A C -0.009 177.614 177.584 0.065 0.000 1.105 271 A CA 0.309 52.375 52.037 0.049 0.000 0.816 271 A CB 0.806 19.831 19.000 0.041 0.000 1.067 271 A HN 0.451 nan 8.150 nan 0.000 0.489 272 D N 1.583 122.015 120.400 0.053 0.000 2.412 272 D HA 0.487 5.127 4.640 0.000 0.000 0.224 272 D C -0.787 175.553 176.300 0.066 0.000 1.093 272 D CA 0.073 54.127 54.000 0.089 0.000 0.850 272 D CB 0.067 40.972 40.800 0.174 0.000 1.046 272 D HN 0.342 nan 8.370 nan 0.000 0.507 273 I N 2.966 123.582 120.570 0.077 0.000 2.433 273 I HA 0.342 4.512 4.170 0.000 0.000 0.292 273 I C 0.277 176.443 176.117 0.082 0.000 1.001 273 I CA -0.734 60.612 61.300 0.077 0.000 1.119 273 I CB 1.788 39.826 38.000 0.064 0.000 1.289 273 I HN 0.212 nan 8.210 nan 0.000 0.438 274 E N 5.076 125.347 120.200 0.119 0.000 2.288 274 E HA 0.621 4.971 4.350 0.000 0.000 0.268 274 E C -1.312 175.240 176.600 -0.079 0.000 0.885 274 E CA -0.847 55.609 56.400 0.094 0.000 0.767 274 E CB 3.394 33.243 29.700 0.249 0.000 1.220 274 E HN 0.408 nan 8.360 nan 0.000 0.427 275 V N -1.127 118.573 119.914 -0.356 0.000 2.680 275 V HA 0.901 5.021 4.120 0.000 0.000 0.309 275 V C 0.067 175.407 176.094 -1.257 0.000 1.052 275 V CA -0.454 61.392 62.300 -0.756 0.000 0.908 275 V CB 1.464 33.053 31.823 -0.390 0.000 1.001 275 V HN 0.741 nan 8.190 nan 0.000 0.431 276 G N 1.450 108.989 108.800 -2.100 0.000 2.857 276 G HA2 0.441 4.401 3.960 0.000 0.000 0.217 276 G HA3 0.441 4.401 3.960 0.000 0.000 0.217 276 G C 0.143 174.624 174.900 -0.700 0.000 1.357 276 G CA 0.166 44.350 45.100 -1.527 0.000 1.033 276 G HN 0.856 nan 8.290 nan 0.000 0.571 277 E N -0.677 119.326 120.200 -0.328 0.000 2.318 277 E HA -0.022 4.328 4.350 0.000 0.000 0.193 277 E C 0.201 176.735 176.600 -0.109 0.000 0.998 277 E CA 1.027 57.335 56.400 -0.154 0.000 0.859 277 E CB 0.304 29.979 29.700 -0.042 0.000 0.812 277 E HN 0.514 nan 8.360 nan 0.000 0.492 278 D N -0.676 119.680 120.400 -0.073 0.000 2.740 278 D HA 0.000 4.640 4.640 0.000 0.000 0.305 278 D C -0.336 176.051 176.300 0.145 0.000 1.583 278 D CA -0.467 53.550 54.000 0.029 0.000 0.790 278 D CB -0.904 39.941 40.800 0.074 0.000 1.187 278 D HN 0.166 nan 8.370 nan 0.000 0.447 279 W N 0.207 121.509 121.300 0.003 0.000 3.083 279 W HA 0.712 5.372 4.660 0.000 0.000 0.333 279 W C -1.956 174.569 176.519 0.010 0.000 1.217 279 W CA -1.326 56.021 57.345 0.003 0.000 1.170 279 W CB 0.615 30.073 29.460 -0.003 0.000 1.437 279 W HN -0.304 nan 8.180 nan 0.000 0.557 280 I N 2.961 123.724 120.570 0.320 0.000 2.582 280 I HA 0.319 4.489 4.170 0.000 0.000 0.292 280 I C -0.061 176.281 176.117 0.376 0.000 1.066 280 I CA -0.730 60.696 61.300 0.211 0.000 1.053 280 I CB 2.549 40.601 38.000 0.087 0.000 1.241 280 I HN 0.461 nan 8.210 nan 0.000 0.421 281 S N 6.790 122.729 115.700 0.398 0.000 2.532 281 S HA 0.863 5.333 4.470 0.000 0.000 0.301 281 S C -1.002 173.690 174.600 0.154 0.000 1.083 281 S CA -0.723 57.645 58.200 0.279 0.000 1.025 281 S CB 2.372 65.761 63.200 0.315 0.000 1.056 281 S HN 0.638 nan 8.310 nan 0.000 0.494 282 L N 1.979 123.251 121.223 0.082 0.000 2.464 282 L HA 0.678 5.018 4.340 0.000 0.000 0.266 282 L C -2.047 174.801 176.870 -0.036 0.000 0.965 282 L CA -0.273 54.587 54.840 0.033 0.000 0.833 282 L CB 2.000 44.082 42.059 0.039 0.000 1.296 282 L HN 0.844 nan 8.230 nan 0.000 0.405 283 D N 4.607 124.941 120.400 -0.110 0.000 2.757 283 D HA 0.338 4.978 4.640 0.000 0.000 0.249 283 D C 0.193 176.290 176.300 -0.337 0.000 1.168 283 D CA -0.441 53.391 54.000 -0.280 0.000 0.870 283 D CB 1.938 42.456 40.800 -0.469 0.000 1.411 283 D HN 0.479 nan 8.370 nan 0.000 0.525 284 M N 1.441 120.897 119.600 -0.239 0.000 2.509 284 M HA 0.036 4.516 4.480 0.000 0.000 0.250 284 M C 0.103 176.379 176.300 -0.040 0.000 1.132 284 M CA 0.239 55.473 55.300 -0.111 0.000 1.080 284 M CB -0.663 31.911 32.600 -0.044 0.000 1.408 284 M HN 0.484 nan 8.290 nan 0.000 0.484 285 H N 0.395 119.474 119.070 0.014 0.000 2.692 285 H HA -0.155 4.401 4.556 0.000 0.000 0.316 285 H C 1.373 176.706 175.328 0.008 0.000 1.176 285 H CA 0.914 56.968 56.048 0.011 0.000 1.142 285 H CB -2.210 27.560 29.762 0.014 0.000 1.475 285 H HN 0.658 nan 8.280 nan 0.000 0.423 286 G N -0.706 108.135 108.800 0.069 0.000 2.196 286 G HA2 -0.362 3.598 3.960 0.000 0.000 0.268 286 G HA3 -0.362 3.598 3.960 0.000 0.000 0.268 286 G C 0.506 175.430 174.900 0.041 0.000 0.975 286 G CA 0.908 46.035 45.100 0.046 0.000 0.648 286 G HN 0.405 nan 8.290 nan 0.000 0.538 287 K N 0.309 120.740 120.400 0.053 0.000 2.185 287 K HA 0.367 4.687 4.320 0.000 0.000 0.271 287 K C 0.753 177.367 176.600 0.024 0.000 1.013 287 K CA -0.733 55.580 56.287 0.043 0.000 0.943 287 K CB 1.013 33.550 32.500 0.061 0.000 0.998 287 K HN 0.462 nan 8.250 nan 0.000 0.468 288 R N 3.228 123.740 120.500 0.020 0.000 2.390 288 R HA 0.167 4.507 4.340 0.000 0.000 0.291 288 R C -2.004 174.305 176.300 0.014 0.000 1.070 288 R CA -1.212 54.896 56.100 0.012 0.000 1.014 288 R CB 0.427 30.734 30.300 0.013 0.000 1.007 288 R HN 0.339 nan 8.270 nan 0.000 0.466 289 P HA 0.030 nan 4.420 nan 0.000 0.270 289 P C -1.192 176.117 177.300 0.015 0.000 1.223 289 P CA 0.094 63.198 63.100 0.007 0.000 0.785 289 P CB 0.659 32.350 31.700 -0.014 0.000 0.923 290 K N 0.738 121.151 120.400 0.022 0.000 2.138 290 K HA 0.509 4.829 4.320 0.000 0.000 0.263 290 K C 0.151 176.764 176.600 0.022 0.000 0.965 290 K CA -0.713 55.588 56.287 0.023 0.000 0.868 290 K CB 1.836 34.351 32.500 0.025 0.000 1.083 290 K HN 0.540 nan 8.250 nan 0.000 0.443 291 A N 1.965 124.795 122.820 0.016 0.000 2.531 291 A HA 0.244 4.564 4.320 0.000 0.000 0.236 291 A C 0.359 177.938 177.584 -0.009 0.000 1.062 291 A CA -0.236 51.806 52.037 0.007 0.000 0.760 291 A CB -0.069 18.933 19.000 0.004 0.000 0.995 291 A HN 0.538 nan 8.150 nan 0.000 0.501 292 V N 0.363 120.265 119.914 -0.021 0.000 3.074 292 V HA 0.649 4.769 4.120 0.000 0.000 0.314 292 V C -0.426 175.547 176.094 -0.201 0.000 1.117 292 V CA -1.249 61.008 62.300 -0.072 0.000 1.014 292 V CB 1.892 33.713 31.823 -0.003 0.000 1.057 292 V HN 0.878 nan 8.190 nan 0.000 0.438 293 N N 0.278 118.783 118.700 -0.325 0.000 2.372 293 N HA 0.765 5.505 4.740 0.000 0.000 0.291 293 N C -1.350 173.863 175.510 -0.495 0.000 1.024 293 N CA -0.562 52.125 53.050 -0.605 0.000 0.873 293 N CB 2.240 40.185 38.487 -0.902 0.000 1.206 293 N HN 0.621 nan 8.380 nan 0.000 0.486 294 V N 1.689 121.304 119.914 -0.498 0.000 2.789 294 V HA 0.499 4.619 4.120 0.000 0.000 0.311 294 V C -0.422 175.490 176.094 -0.303 0.000 1.073 294 V CA -0.779 61.215 62.300 -0.510 0.000 0.921 294 V CB 2.125 33.453 31.823 -0.826 0.000 1.009 294 V HN 0.646 nan 8.190 nan 0.000 0.426 295 R N 2.177 122.534 120.500 -0.239 0.000 2.451 295 R HA 0.528 4.868 4.340 0.000 0.000 0.307 295 R C -0.171 176.117 176.300 -0.020 0.000 0.965 295 R CA -0.269 55.793 56.100 -0.063 0.000 0.865 295 R CB 1.694 31.995 30.300 0.002 0.000 1.174 295 R HN 0.943 nan 8.270 nan 0.000 0.455 296 T N 1.231 115.813 114.554 0.047 0.000 2.918 296 T HA 0.704 5.054 4.350 0.000 0.000 0.302 296 T C 0.063 174.807 174.700 0.073 0.000 1.045 296 T CA -0.100 62.083 62.100 0.139 0.000 1.114 296 T CB 1.565 70.525 68.868 0.153 0.000 0.965 296 T HN 0.718 nan 8.240 nan 0.000 0.540 297 A N 2.927 125.788 122.820 0.068 0.000 2.515 297 A HA 0.721 5.041 4.320 0.000 0.000 0.292 297 A C -3.166 174.427 177.584 0.015 0.000 1.065 297 A CA -1.616 50.431 52.037 0.018 0.000 0.641 297 A CB 0.162 19.170 19.000 0.015 0.000 1.306 297 A HN 0.662 nan 8.150 nan 0.000 0.441 298 P HA 0.289 nan 4.420 nan 0.000 0.269 298 P C -0.323 177.005 177.300 0.047 0.000 1.215 298 P CA 0.323 63.435 63.100 0.019 0.000 0.780 298 P CB 0.130 31.833 31.700 0.005 0.000 0.898 299 H N 4.029 123.089 119.070 -0.018 0.000 3.092 299 H HA -0.032 4.524 4.556 -0.000 0.000 0.332 299 H C -1.289 174.032 175.328 -0.011 0.000 1.029 299 H CA -0.297 55.741 56.048 -0.017 0.000 1.376 299 H CB 0.176 29.929 29.762 -0.016 0.000 1.329 299 H HN 0.308 nan 8.280 nan 0.000 0.598 300 P HA 0.192 nan 4.420 nan 0.000 0.254 300 P C -0.499 176.570 177.300 -0.384 0.000 1.494 300 P CA 0.015 62.452 63.100 -1.106 0.000 0.961 300 P CB -0.031 31.172 31.700 -0.828 0.000 1.493 301 A N 0.419 123.140 122.820 -0.164 0.000 2.292 301 A HA 0.262 4.582 4.320 0.000 0.000 0.265 301 A C -0.198 177.403 177.584 0.027 0.000 1.133 301 A CA -0.462 51.552 52.037 -0.039 0.000 0.807 301 A CB -0.481 18.519 19.000 0.000 0.000 1.102 301 A HN 0.183 nan 8.150 nan 0.000 0.502 302 F N 1.121 121.024 119.950 -0.078 0.000 2.578 302 F HA 0.353 4.880 4.527 -0.000 0.000 0.381 302 F C -1.939 173.834 175.800 -0.045 0.000 1.069 302 F CA -1.731 56.215 58.000 -0.090 0.000 1.231 302 F CB 0.550 39.456 39.000 -0.158 0.000 1.086 302 F HN 0.191 nan 8.300 nan 0.000 0.564 303 P HA 0.078 nan 4.420 nan 0.000 0.285 303 P C 0.437 177.748 177.300 0.020 0.000 1.259 303 P CA -0.252 62.781 63.100 -0.111 0.000 0.794 303 P CB 1.430 33.021 31.700 -0.182 0.000 0.940 304 T N 0.914 115.529 114.554 0.102 0.000 2.737 304 T HA -0.175 4.175 4.350 0.000 0.000 0.269 304 T C 0.967 175.743 174.700 0.128 0.000 1.040 304 T CA 1.763 63.956 62.100 0.154 0.000 1.142 304 T CB -0.788 68.185 68.868 0.174 0.000 0.861 304 T HN 0.316 nan 8.240 nan 0.000 0.456 305 D N 0.262 120.707 120.400 0.075 0.000 2.378 305 D HA 0.012 4.652 4.640 0.000 0.000 0.222 305 D C 1.347 177.667 176.300 0.032 0.000 0.980 305 D CA 0.583 54.608 54.000 0.042 0.000 0.907 305 D CB 0.009 40.818 40.800 0.014 0.000 0.899 305 D HN 0.402 nan 8.370 nan 0.000 0.527 306 M N -0.282 119.334 119.600 0.027 0.000 2.313 306 M HA 0.051 4.531 4.480 0.000 0.000 0.273 306 M C 1.609 178.123 176.300 0.356 0.000 1.049 306 M CA 0.110 55.468 55.300 0.097 0.000 1.004 306 M CB 0.468 32.967 32.600 -0.168 0.000 1.461 306 M HN -0.010 nan 8.290 nan 0.000 0.514 307 Q N 0.923 120.914 119.800 0.319 0.000 2.079 307 Q HA -0.086 4.254 4.340 0.000 0.000 0.200 307 Q C 1.672 177.797 176.000 0.208 0.000 0.974 307 Q CA 1.985 57.998 55.803 0.350 0.000 0.840 307 Q CB 0.136 29.017 28.738 0.239 0.000 0.898 307 Q HN 0.446 nan 8.270 nan 0.000 0.430 308 A N 0.550 123.340 122.820 -0.051 0.000 1.930 308 A HA -0.213 4.107 4.320 0.000 0.000 0.217 308 A C 1.997 179.543 177.584 -0.064 0.000 1.175 308 A CA 1.523 53.329 52.037 -0.385 0.000 0.627 308 A CB -0.429 18.056 19.000 -0.858 0.000 0.815 308 A HN 0.446 nan 8.150 nan 0.000 0.443 309 Q N -1.136 118.683 119.800 0.031 0.000 2.084 309 Q HA -0.086 4.254 4.340 0.000 0.000 0.202 309 Q C 1.586 177.618 176.000 0.053 0.000 0.978 309 Q CA 1.713 57.535 55.803 0.031 0.000 0.844 309 Q CB -0.448 28.314 28.738 0.039 0.000 0.898 309 Q HN 0.698 nan 8.270 nan 0.000 0.426 310 F N -0.202 119.817 119.950 0.114 0.000 2.456 310 F HA -0.068 4.459 4.527 0.000 0.000 0.298 310 F C 2.087 177.927 175.800 0.067 0.000 1.104 310 F CA 1.008 59.074 58.000 0.109 0.000 1.435 310 F CB -0.149 38.948 39.000 0.162 0.000 1.078 310 F HN 0.013 nan 8.300 nan 0.000 0.546 311 T N 0.469 115.170 114.554 0.244 0.000 2.777 311 T HA -0.186 4.164 4.350 0.000 0.000 0.266 311 T C 2.007 176.783 174.700 0.127 0.000 1.040 311 T CA 1.281 63.506 62.100 0.208 0.000 1.141 311 T CB -0.460 68.612 68.868 0.340 0.000 0.868 311 T HN 0.150 nan 8.240 nan 0.000 0.444 312 L N 1.234 122.508 121.223 0.085 0.000 2.027 312 L HA 0.119 4.459 4.340 0.000 0.000 0.206 312 L C 2.207 179.071 176.870 -0.011 0.000 1.074 312 L CA 1.422 56.281 54.840 0.031 0.000 0.745 312 L CB -0.946 41.110 42.059 -0.005 0.000 0.898 312 L HN 0.238 nan 8.230 nan 0.000 0.433 313 L N -0.082 121.105 121.223 -0.060 0.000 1.978 313 L HA -0.335 4.005 4.340 0.000 0.000 0.218 313 L C 2.303 179.157 176.870 -0.027 0.000 1.075 313 L CA 2.149 56.932 54.840 -0.095 0.000 0.767 313 L CB -0.660 41.257 42.059 -0.236 0.000 0.890 313 L HN 0.408 nan 8.230 nan 0.000 0.434 314 N N -0.186 118.523 118.700 0.016 0.000 2.205 314 N HA -0.185 4.555 4.740 0.000 0.000 0.186 314 N C 1.780 177.303 175.510 0.022 0.000 1.015 314 N CA 1.475 54.541 53.050 0.026 0.000 0.862 314 N CB -0.401 38.108 38.487 0.037 0.000 0.986 314 N HN 0.403 nan 8.380 nan 0.000 0.429 315 L N 0.177 121.415 121.223 0.025 0.000 2.376 315 L HA -0.021 4.319 4.340 0.000 0.000 0.219 315 L C 1.344 178.219 176.870 0.008 0.000 1.133 315 L CA 0.464 55.318 54.840 0.023 0.000 0.816 315 L CB 0.065 42.139 42.059 0.025 0.000 0.933 315 L HN 0.062 nan 8.230 nan 0.000 0.449 316 V N -4.722 115.192 119.914 0.000 0.000 3.176 316 V HA 0.540 4.660 4.120 0.000 0.000 0.332 316 V C 0.678 176.774 176.094 0.003 0.000 1.414 316 V CA -0.260 62.037 62.300 -0.005 0.000 1.133 316 V CB -0.365 31.447 31.823 -0.018 0.000 1.088 316 V HN 0.096 nan 8.190 nan 0.000 0.473 317 A N 0.184 123.011 122.820 0.011 0.000 2.247 317 A HA 0.692 5.012 4.320 0.000 0.000 0.313 317 A C -0.005 177.596 177.584 0.028 0.000 1.109 317 A CA -0.643 51.402 52.037 0.014 0.000 0.890 317 A CB 0.750 19.757 19.000 0.012 0.000 1.239 317 A HN 0.484 nan 8.150 nan 0.000 0.506 318 E N -0.402 119.814 120.200 0.027 0.000 2.152 318 E HA 0.458 4.808 4.350 0.000 0.000 0.285 318 E C 0.479 177.102 176.600 0.039 0.000 1.043 318 E CA 0.954 57.374 56.400 0.034 0.000 0.839 318 E CB 0.305 30.023 29.700 0.029 0.000 1.069 318 E HN 1.338 nan 8.360 nan 0.000 0.399 319 G N 2.721 111.553 108.800 0.054 0.000 2.526 319 G HA2 -0.177 3.783 3.960 0.000 0.000 0.250 319 G HA3 -0.177 3.783 3.960 0.000 0.000 0.250 319 G C -0.592 174.351 174.900 0.073 0.000 1.289 319 G CA -0.583 44.554 45.100 0.062 0.000 0.947 319 G HN 0.482 nan 8.290 nan 0.000 0.517 320 T N 0.689 115.284 114.554 0.067 0.000 2.797 320 T HA 0.720 5.070 4.350 0.000 0.000 0.279 320 T C 0.500 175.202 174.700 0.002 0.000 0.991 320 T CA 0.486 62.606 62.100 0.034 0.000 0.979 320 T CB 1.504 70.426 68.868 0.089 0.000 0.943 320 T HN 1.685 nan 8.240 nan 0.000 0.444 321 G N 2.076 110.856 108.800 -0.034 0.000 2.563 321 G HA2 0.741 4.701 3.960 0.000 0.000 0.302 321 G HA3 0.741 4.701 3.960 0.000 0.000 0.302 321 G C -1.269 173.628 174.900 -0.004 0.000 1.301 321 G CA -0.948 44.118 45.100 -0.056 0.000 0.965 321 G HN 0.665 nan 8.290 nan 0.000 0.480 322 F N -0.188 119.723 119.950 -0.064 0.000 2.538 322 F HA 0.855 5.382 4.527 0.000 0.000 0.325 322 F C -0.696 175.074 175.800 -0.050 0.000 1.066 322 F CA -1.673 56.286 58.000 -0.067 0.000 0.946 322 F CB 1.801 40.759 39.000 -0.070 0.000 1.199 322 F HN 0.270 nan 8.300 nan 0.000 0.473 323 I N 2.381 123.078 120.570 0.213 0.000 2.447 323 I HA 0.306 4.476 4.170 0.000 0.000 0.287 323 I C -0.933 175.344 176.117 0.267 0.000 1.023 323 I CA -0.524 60.863 61.300 0.145 0.000 1.083 323 I CB 2.224 40.311 38.000 0.145 0.000 1.245 323 I HN 0.703 nan 8.210 nan 0.000 0.434 324 T N 4.335 119.032 114.554 0.239 0.000 2.797 324 T HA 0.299 4.649 4.350 0.000 0.000 0.279 324 T C -0.391 174.433 174.700 0.205 0.000 0.991 324 T CA -0.463 61.783 62.100 0.243 0.000 0.979 324 T CB 1.763 70.761 68.868 0.216 0.000 0.943 324 T HN 0.488 nan 8.240 nan 0.000 0.444 325 E N 1.606 121.964 120.200 0.264 0.000 2.113 325 E HA 0.393 4.743 4.350 0.000 0.000 0.273 325 E C 0.823 177.488 176.600 0.108 0.000 0.924 325 E CA -0.594 55.908 56.400 0.169 0.000 0.764 325 E CB 0.820 30.592 29.700 0.121 0.000 1.104 325 E HN 0.657 nan 8.360 nan 0.000 0.406 326 T N 0.509 115.094 114.554 0.052 0.000 3.044 326 T HA 0.144 4.494 4.350 0.000 0.000 0.260 326 T C 1.000 175.668 174.700 -0.053 0.000 1.019 326 T CA 0.431 62.540 62.100 0.015 0.000 0.921 326 T CB 0.186 69.062 68.868 0.012 0.000 1.053 326 T HN 0.207 nan 8.240 nan 0.000 0.533 327 V N -0.268 119.582 119.914 -0.108 0.000 2.521 327 V HA 0.416 4.536 4.120 0.000 0.000 0.239 327 V C 0.083 175.892 176.094 -0.474 0.000 1.053 327 V CA 0.395 62.500 62.300 -0.323 0.000 1.073 327 V CB -0.211 31.366 31.823 -0.409 0.000 0.746 327 V HN 0.429 nan 8.190 nan 0.000 0.476 328 F N 0.633 120.567 119.950 -0.027 0.000 2.434 328 F HA 0.448 4.975 4.527 -0.000 0.000 0.367 328 F C 1.083 176.838 175.800 -0.075 0.000 1.093 328 F CA -1.093 56.876 58.000 -0.052 0.000 1.085 328 F CB 0.775 39.729 39.000 -0.076 0.000 1.322 328 F HN 0.035 nan 8.300 nan 0.000 0.452 329 E N 0.724 121.005 120.200 0.136 0.000 2.418 329 E HA -0.086 4.264 4.350 0.000 0.000 0.197 329 E C 0.481 177.172 176.600 0.152 0.000 1.026 329 E CA 0.640 57.116 56.400 0.126 0.000 0.862 329 E CB 0.089 29.858 29.700 0.114 0.000 0.799 329 E HN 0.431 nan 8.360 nan 0.000 0.518 330 N N 0.748 119.504 118.700 0.093 0.000 2.275 330 N HA 0.033 4.773 4.740 0.000 0.000 0.236 330 N C -0.221 175.271 175.510 -0.030 0.000 1.154 330 N CA 0.028 53.136 53.050 0.096 0.000 0.866 330 N CB 0.471 39.004 38.487 0.076 0.000 1.093 330 N HN -0.049 nan 8.380 nan 0.000 0.515 331 R N 0.680 121.016 120.500 -0.274 0.000 3.657 331 R HA 0.196 4.536 4.340 0.000 0.000 0.220 331 R C -0.653 175.326 176.300 -0.534 0.000 1.548 331 R CA -0.002 55.908 56.100 -0.316 0.000 1.465 331 R CB -0.506 29.660 30.300 -0.222 0.000 1.330 331 R HN -0.047 nan 8.270 nan 0.000 0.707 332 F N 0.243 120.211 119.950 0.030 0.000 2.859 332 F HA 0.189 4.716 4.527 -0.000 0.000 0.324 332 F C 1.256 176.852 175.800 -0.341 0.000 1.158 332 F CA -0.368 57.503 58.000 -0.215 0.000 1.147 332 F CB 0.370 39.285 39.000 -0.142 0.000 1.137 332 F HN 0.214 nan 8.300 nan 0.000 0.516 333 M N -0.326 119.273 119.600 -0.002 0.000 2.279 333 M HA -0.192 4.288 4.480 0.000 0.000 0.264 333 M C 2.210 178.498 176.300 -0.021 0.000 1.062 333 M CA 1.826 57.122 55.300 -0.007 0.000 1.099 333 M CB -0.744 31.863 32.600 0.010 0.000 1.394 333 M HN 0.446 nan 8.290 nan 0.000 0.426 334 H N -1.460 117.644 119.070 0.058 0.000 2.422 334 H HA -0.058 4.498 4.556 0.000 0.000 0.298 334 H C 1.861 177.231 175.328 0.069 0.000 1.098 334 H CA 1.222 57.300 56.048 0.050 0.000 1.315 334 H CB -1.029 28.764 29.762 0.052 0.000 1.382 334 H HN 0.107 nan 8.280 nan 0.000 0.523 335 V N 1.730 121.462 119.914 -0.303 0.000 2.255 335 V HA -0.180 3.940 4.120 0.000 0.000 0.247 335 V C -0.263 175.809 176.094 -0.036 0.000 1.051 335 V CA 2.170 64.394 62.300 -0.126 0.000 1.018 335 V CB -1.207 30.520 31.823 -0.161 0.000 0.641 335 V HN 0.458 nan 8.190 nan 0.000 0.445 336 P HA -0.120 nan 4.420 nan 0.000 0.216 336 P C 1.552 178.857 177.300 0.008 0.000 1.150 336 P CA 1.192 64.288 63.100 -0.007 0.000 0.837 336 P CB -0.047 31.649 31.700 -0.006 0.000 0.786 337 E N -0.061 120.148 120.200 0.016 0.000 2.031 337 E HA -0.123 4.227 4.350 0.000 0.000 0.193 337 E C 2.185 178.801 176.600 0.028 0.000 0.994 337 E CA 1.034 57.450 56.400 0.027 0.000 0.800 337 E CB -1.126 28.598 29.700 0.040 0.000 0.752 337 E HN 0.310 nan 8.360 nan 0.000 0.447 338 L N 1.046 122.293 121.223 0.039 0.000 2.187 338 L HA -0.160 4.180 4.340 0.000 0.000 0.213 338 L C 2.452 179.328 176.870 0.010 0.000 1.100 338 L CA 0.837 55.696 54.840 0.032 0.000 0.765 338 L CB -0.343 41.750 42.059 0.056 0.000 0.904 338 L HN 0.018 nan 8.230 nan 0.000 0.437 339 S N -0.556 115.151 115.700 0.013 0.000 2.423 339 S HA -0.086 4.384 4.470 0.000 0.000 0.231 339 S C 1.968 176.573 174.600 0.008 0.000 1.014 339 S CA 0.797 59.003 58.200 0.011 0.000 0.965 339 S CB -0.122 63.092 63.200 0.024 0.000 0.785 339 S HN 0.393 nan 8.310 nan 0.000 0.495 340 R N 0.652 121.158 120.500 0.010 0.000 2.152 340 R HA 0.089 4.429 4.340 0.000 0.000 0.232 340 R C 1.434 177.736 176.300 0.002 0.000 1.117 340 R CA 0.952 57.058 56.100 0.010 0.000 0.981 340 R CB -0.268 30.040 30.300 0.013 0.000 0.870 340 R HN 0.437 nan 8.270 nan 0.000 0.451 341 M N -0.606 118.991 119.600 -0.005 0.000 2.453 341 M HA 0.177 4.657 4.480 0.000 0.000 0.239 341 M C 0.623 176.899 176.300 -0.039 0.000 1.151 341 M CA 0.338 55.630 55.300 -0.015 0.000 0.989 341 M CB 1.252 33.846 32.600 -0.010 0.000 1.548 341 M HN 0.410 nan 8.290 nan 0.000 0.479 342 G N 0.601 109.369 108.800 -0.053 0.000 2.176 342 G HA2 -0.189 3.771 3.960 0.000 0.000 0.232 342 G HA3 -0.189 3.771 3.960 0.000 0.000 0.232 342 G C 0.217 174.961 174.900 -0.259 0.000 0.986 342 G CA -0.050 44.982 45.100 -0.113 0.000 0.643 342 G HN 0.663 nan 8.290 nan 0.000 0.522 343 A N 0.501 123.222 122.820 -0.166 0.000 2.425 343 A HA 0.568 4.888 4.320 0.000 0.000 0.242 343 A C 0.174 177.653 177.584 -0.176 0.000 1.077 343 A CA 0.107 52.036 52.037 -0.179 0.000 0.781 343 A CB 0.141 19.114 19.000 -0.045 0.000 1.020 343 A HN 0.514 nan 8.150 nan 0.000 0.494 344 H N 0.407 119.516 119.070 0.066 0.000 2.638 344 H HA 0.640 5.196 4.556 0.000 0.000 0.303 344 H C -0.086 175.322 175.328 0.133 0.000 1.034 344 H CA 0.250 56.356 56.048 0.097 0.000 1.225 344 H CB 0.937 30.770 29.762 0.119 0.000 1.394 344 H HN 0.865 nan 8.280 nan 0.000 0.477 345 A N 3.342 126.287 122.820 0.207 0.000 2.572 345 A HA 0.595 4.915 4.320 0.000 0.000 0.295 345 A C -0.730 176.897 177.584 0.071 0.000 1.072 345 A CA -0.935 51.168 52.037 0.109 0.000 0.691 345 A CB 2.223 21.244 19.000 0.035 0.000 1.291 345 A HN 0.619 nan 8.150 nan 0.000 0.404 346 E N 1.446 121.661 120.200 0.026 0.000 2.312 346 E HA 0.648 4.998 4.350 0.000 0.000 0.267 346 E C -1.410 175.126 176.600 -0.107 0.000 0.894 346 E CA -0.657 55.730 56.400 -0.021 0.000 0.773 346 E CB 1.979 31.687 29.700 0.013 0.000 1.241 346 E HN 0.491 nan 8.360 nan 0.000 0.432 347 I N 1.670 122.154 120.570 -0.143 0.000 2.355 347 I HA 0.172 4.342 4.170 0.000 0.000 0.288 347 I C -0.215 175.802 176.117 -0.166 0.000 0.999 347 I CA -0.684 60.471 61.300 -0.242 0.000 1.163 347 I CB 1.242 39.060 38.000 -0.304 0.000 1.316 347 I HN 0.237 nan 8.210 nan 0.000 0.454 348 E N 5.095 125.197 120.200 -0.164 0.000 2.073 348 E HA 0.327 4.677 4.350 0.000 0.000 0.269 348 E C 0.283 176.823 176.600 -0.101 0.000 0.917 348 E CA -0.029 56.304 56.400 -0.113 0.000 0.757 348 E CB 1.678 31.315 29.700 -0.105 0.000 1.111 348 E HN 0.749 nan 8.360 nan 0.000 0.410 349 S N 3.987 119.649 115.700 -0.063 0.000 4.139 349 S HA -0.357 4.113 4.470 0.000 0.000 0.603 349 S C 0.672 175.276 174.600 0.007 0.000 1.897 349 S CA 2.228 60.416 58.200 -0.020 0.000 4.241 349 S CB -1.081 62.109 63.200 -0.016 0.000 0.221 349 S HN 0.830 nan 8.310 nan 0.000 0.488 350 N N 0.344 119.073 118.700 0.049 0.000 2.328 350 N HA 0.392 5.132 4.740 0.000 0.000 0.247 350 N C -0.693 174.912 175.510 0.158 0.000 1.165 350 N CA 0.037 53.202 53.050 0.192 0.000 0.873 350 N CB 1.029 39.645 38.487 0.214 0.000 1.125 350 N HN 0.300 nan 8.380 nan 0.000 0.513 351 T N 0.344 114.865 114.554 -0.054 0.000 2.848 351 T HA 0.287 4.637 4.350 0.000 0.000 0.285 351 T C -1.011 173.531 174.700 -0.263 0.000 0.995 351 T CA -0.676 61.383 62.100 -0.068 0.000 0.970 351 T CB 2.336 71.153 68.868 -0.086 0.000 0.976 351 T HN 0.034 nan 8.240 nan 0.000 0.441 352 V N 5.604 125.371 119.914 -0.244 0.000 2.394 352 V HA 0.577 4.697 4.120 0.000 0.000 0.282 352 V C -0.599 175.456 176.094 -0.065 0.000 1.031 352 V CA -0.806 61.341 62.300 -0.255 0.000 0.881 352 V CB 0.343 32.001 31.823 -0.275 0.000 0.982 352 V HN 0.806 nan 8.190 nan 0.000 0.451 353 I N 7.180 127.694 120.570 -0.093 0.000 2.304 353 I HA 0.386 4.556 4.170 0.000 0.000 0.291 353 I C -0.270 175.719 176.117 -0.215 0.000 1.018 353 I CA -0.256 60.984 61.300 -0.100 0.000 1.260 353 I CB 0.894 38.832 38.000 -0.103 0.000 1.390 353 I HN 0.514 nan 8.210 nan 0.000 0.475 354 C N 5.389 124.545 119.300 -0.240 0.000 2.355 354 C HA 0.471 4.931 4.460 0.000 0.000 0.332 354 C C -0.030 174.732 174.990 -0.379 0.000 1.255 354 C CA -0.646 58.244 59.018 -0.214 0.000 1.792 354 C CB 0.423 28.132 27.740 -0.051 0.000 2.300 354 C HN 0.628 nan 8.230 nan 0.000 0.515 355 H N 1.284 120.408 119.070 0.090 0.000 2.792 355 H HA 0.314 4.870 4.556 -0.000 0.000 0.298 355 H C 0.476 175.867 175.328 0.105 0.000 1.042 355 H CA -0.048 56.057 56.048 0.095 0.000 1.300 355 H CB 1.224 31.045 29.762 0.098 0.000 1.431 355 H HN 0.948 nan 8.280 nan 0.000 0.496 356 G N 2.412 111.301 108.800 0.148 0.000 2.340 356 G HA2 0.276 4.236 3.960 0.000 0.000 0.245 356 G HA3 0.276 4.236 3.960 0.000 0.000 0.245 356 G C 0.590 175.551 174.900 0.101 0.000 1.294 356 G CA -0.216 44.940 45.100 0.094 0.000 0.896 356 G HN 0.455 nan 8.290 nan 0.000 0.522 357 V N 0.394 120.339 119.914 0.052 0.000 2.975 357 V HA 0.546 4.666 4.120 0.000 0.000 0.318 357 V C 0.953 177.055 176.094 0.013 0.000 1.077 357 V CA -0.754 61.566 62.300 0.034 0.000 1.000 357 V CB 2.103 33.898 31.823 -0.047 0.000 1.066 357 V HN 0.615 nan 8.190 nan 0.000 0.452 358 E N 1.410 121.619 120.200 0.015 0.000 2.072 358 E HA -0.014 4.336 4.350 0.000 0.000 0.191 358 E C 0.403 177.001 176.600 -0.003 0.000 0.985 358 E CA 1.535 57.941 56.400 0.009 0.000 0.801 358 E CB 0.142 29.850 29.700 0.013 0.000 0.750 358 E HN 0.877 nan 8.360 nan 0.000 0.452 359 K N -0.729 119.664 120.400 -0.011 0.000 2.546 359 K HA 0.423 4.743 4.320 0.000 0.000 0.264 359 K C -0.690 175.892 176.600 -0.031 0.000 0.937 359 K CA -0.606 55.670 56.287 -0.018 0.000 0.833 359 K CB 1.304 33.798 32.500 -0.011 0.000 1.378 359 K HN -0.175 nan 8.250 nan 0.000 0.432 360 L N 1.048 122.252 121.223 -0.032 0.000 2.431 360 L HA 0.461 4.801 4.340 0.000 0.000 0.260 360 L C -0.171 176.683 176.870 -0.025 0.000 1.098 360 L CA -0.939 53.878 54.840 -0.038 0.000 0.800 360 L CB 1.776 43.815 42.059 -0.035 0.000 1.210 360 L HN 0.728 nan 8.230 nan 0.000 0.465 361 S N -0.588 115.098 115.700 -0.024 0.000 2.482 361 S HA 0.538 5.008 4.470 0.000 0.000 0.303 361 S C 0.106 174.701 174.600 -0.008 0.000 1.091 361 S CA -0.772 57.420 58.200 -0.013 0.000 1.057 361 S CB 1.665 64.859 63.200 -0.010 0.000 1.031 361 S HN 0.792 nan 8.310 nan 0.000 0.485 362 G N 1.027 109.825 108.800 -0.003 0.000 2.484 362 G HA2 0.502 4.462 3.960 0.000 0.000 0.235 362 G HA3 0.502 4.462 3.960 0.000 0.000 0.235 362 G C -0.173 174.731 174.900 0.006 0.000 1.282 362 G CA 0.207 45.308 45.100 0.002 0.000 0.857 362 G HN 1.117 nan 8.290 nan 0.000 0.571 363 A N 1.416 124.242 122.820 0.010 0.000 2.540 363 A HA 0.651 4.971 4.320 0.000 0.000 0.291 363 A C -0.703 176.892 177.584 0.019 0.000 1.083 363 A CA -0.786 51.259 52.037 0.013 0.000 0.650 363 A CB 0.744 19.750 19.000 0.011 0.000 1.292 363 A HN 0.679 nan 8.150 nan 0.000 0.435 364 Q N 0.288 120.100 119.800 0.020 0.000 2.279 364 Q HA 0.523 4.863 4.340 0.000 0.000 0.256 364 Q C -0.238 175.776 176.000 0.024 0.000 0.937 364 Q CA -0.538 55.279 55.803 0.024 0.000 0.933 364 Q CB 1.562 30.313 28.738 0.022 0.000 1.189 364 Q HN 1.050 nan 8.270 nan 0.000 0.417 365 V N -0.422 119.509 119.914 0.028 0.000 3.078 365 V HA 0.677 4.797 4.120 0.000 0.000 0.311 365 V C -0.857 175.253 176.094 0.027 0.000 1.138 365 V CA -1.230 61.086 62.300 0.027 0.000 1.007 365 V CB 2.264 34.105 31.823 0.029 0.000 1.045 365 V HN 0.855 nan 8.190 nan 0.000 0.432 366 M N 3.042 122.656 119.600 0.022 0.000 2.181 366 M HA 0.804 5.284 4.480 0.000 0.000 0.323 366 M C -0.055 176.245 176.300 0.001 0.000 1.004 366 M CA -0.562 54.749 55.300 0.018 0.000 0.941 366 M CB 1.442 34.055 32.600 0.022 0.000 1.579 366 M HN 1.217 nan 8.290 nan 0.000 0.427 367 A N 2.915 125.731 122.820 -0.007 0.000 2.371 367 A HA 0.570 4.890 4.320 0.000 0.000 0.257 367 A C 0.661 178.152 177.584 -0.154 0.000 1.089 367 A CA 0.136 52.143 52.037 -0.049 0.000 0.794 367 A CB 0.136 19.120 19.000 -0.026 0.000 1.029 367 A HN 0.962 nan 8.150 nan 0.000 0.488 368 T N -2.324 112.021 114.554 -0.349 0.000 3.092 368 T HA 0.200 4.550 4.350 0.000 0.000 0.273 368 T C -0.313 173.896 174.700 -0.818 0.000 0.898 368 T CA 0.355 62.025 62.100 -0.717 0.000 0.868 368 T CB 0.082 68.763 68.868 -0.312 0.000 1.228 368 T HN 0.583 nan 8.240 nan 0.000 0.555 369 D N 1.080 121.221 120.400 -0.432 0.000 2.549 369 D HA 0.314 4.954 4.640 0.000 0.000 0.251 369 D C 1.014 177.247 176.300 -0.111 0.000 1.153 369 D CA -0.637 53.217 54.000 -0.244 0.000 0.861 369 D CB 2.093 42.806 40.800 -0.145 0.000 1.207 369 D HN -0.041 nan 8.370 nan 0.000 0.543 370 L N 4.648 125.835 121.223 -0.060 0.000 2.113 370 L HA -0.239 4.101 4.340 0.000 0.000 0.221 370 L C 1.908 178.815 176.870 0.061 0.000 1.084 370 L CA 1.967 56.821 54.840 0.022 0.000 0.787 370 L CB -0.063 41.989 42.059 -0.012 0.000 0.893 370 L HN 0.439 nan 8.230 nan 0.000 0.440 371 R N -2.226 118.291 120.500 0.030 0.000 2.194 371 R HA 0.317 4.657 4.340 0.000 0.000 0.194 371 R C 2.044 178.417 176.300 0.121 0.000 0.985 371 R CA 0.958 57.128 56.100 0.116 0.000 1.104 371 R CB -0.914 29.392 30.300 0.010 0.000 1.092 371 R HN 0.369 nan 8.270 nan 0.000 0.555 372 A N 0.948 123.767 122.820 -0.002 0.000 1.972 372 A HA -0.079 4.241 4.320 0.000 0.000 0.219 372 A C 2.076 179.615 177.584 -0.075 0.000 1.169 372 A CA 1.648 53.634 52.037 -0.084 0.000 0.635 372 A CB -0.395 18.524 19.000 -0.135 0.000 0.810 372 A HN 0.201 nan 8.150 nan 0.000 0.446 373 S N -0.179 115.504 115.700 -0.029 0.000 2.507 373 S HA 0.077 4.547 4.470 0.000 0.000 0.235 373 S C 2.053 176.635 174.600 -0.031 0.000 0.988 373 S CA 0.706 58.893 58.200 -0.020 0.000 0.944 373 S CB -0.315 62.866 63.200 -0.031 0.000 0.762 373 S HN 0.772 nan 8.310 nan 0.000 0.526 374 A N 1.883 124.667 122.820 -0.060 0.000 2.024 374 A HA -0.140 4.180 4.320 0.000 0.000 0.220 374 A C 2.294 179.777 177.584 -0.169 0.000 1.164 374 A CA 1.829 53.742 52.037 -0.208 0.000 0.643 374 A CB -0.866 17.838 19.000 -0.492 0.000 0.806 374 A HN 0.641 nan 8.150 nan 0.000 0.451 375 S N -0.110 115.524 115.700 -0.111 0.000 2.423 375 S HA -0.067 4.403 4.470 0.000 0.000 0.231 375 S C 1.794 176.364 174.600 -0.049 0.000 1.014 375 S CA 1.275 59.422 58.200 -0.088 0.000 0.965 375 S CB -0.663 62.492 63.200 -0.075 0.000 0.785 375 S HN 0.502 nan 8.310 nan 0.000 0.495 376 L N 0.939 122.148 121.223 -0.024 0.000 2.056 376 L HA -0.026 4.314 4.340 0.000 0.000 0.207 376 L C 2.698 179.562 176.870 -0.011 0.000 1.078 376 L CA 0.920 55.761 54.840 0.002 0.000 0.749 376 L CB -0.798 41.276 42.059 0.025 0.000 0.901 376 L HN 0.244 nan 8.230 nan 0.000 0.433 377 V N -0.164 119.733 119.914 -0.028 0.000 2.295 377 V HA -0.281 3.839 4.120 0.000 0.000 0.246 377 V C 2.474 178.511 176.094 -0.095 0.000 1.049 377 V CA 1.426 63.692 62.300 -0.055 0.000 1.024 377 V CB -0.458 31.303 31.823 -0.102 0.000 0.648 377 V HN 0.227 nan 8.190 nan 0.000 0.447 378 L N 0.632 121.783 121.223 -0.120 0.000 2.013 378 L HA -0.186 4.154 4.340 0.000 0.000 0.212 378 L C 2.644 179.471 176.870 -0.072 0.000 1.073 378 L CA 2.383 57.156 54.840 -0.112 0.000 0.753 378 L CB -1.285 40.694 42.059 -0.133 0.000 0.890 378 L HN 0.306 nan 8.230 nan 0.000 0.432 379 A N -0.627 122.161 122.820 -0.053 0.000 1.908 379 A HA -0.159 4.161 4.320 0.000 0.000 0.218 379 A C 2.439 180.005 177.584 -0.029 0.000 1.181 379 A CA 1.794 53.811 52.037 -0.033 0.000 0.627 379 A CB -1.436 17.556 19.000 -0.014 0.000 0.818 379 A HN 0.464 nan 8.150 nan 0.000 0.445 380 G N -0.891 107.893 108.800 -0.028 0.000 2.440 380 G HA2 -0.296 3.664 3.960 0.000 0.000 0.218 380 G HA3 -0.296 3.664 3.960 0.000 0.000 0.218 380 G C 1.551 176.432 174.900 -0.032 0.000 1.154 380 G CA 1.337 46.423 45.100 -0.022 0.000 0.767 380 G HN 0.543 nan 8.290 nan 0.000 0.552 381 C N 0.671 119.943 119.300 -0.048 0.000 2.422 381 C HA 0.044 4.504 4.460 0.000 0.000 0.279 381 C C 2.596 177.565 174.990 -0.035 0.000 1.305 381 C CA 0.879 59.869 59.018 -0.047 0.000 1.757 381 C CB -0.948 26.758 27.740 -0.056 0.000 1.962 381 C HN 0.667 nan 8.230 nan 0.000 0.499 382 I N -1.427 119.123 120.570 -0.033 0.000 4.057 382 I HA 0.398 4.568 4.170 0.000 0.000 0.334 382 I C 1.039 177.143 176.117 -0.022 0.000 1.308 382 I CA -0.141 61.142 61.300 -0.027 0.000 1.125 382 I CB -0.366 37.616 38.000 -0.030 0.000 1.034 382 I HN 0.050 nan 8.210 nan 0.000 0.401 383 A N 1.763 124.570 122.820 -0.021 0.000 2.313 383 A HA 0.288 4.608 4.320 0.000 0.000 0.261 383 A C -0.025 177.552 177.584 -0.013 0.000 1.090 383 A CA -0.167 51.860 52.037 -0.017 0.000 0.807 383 A CB 0.274 19.266 19.000 -0.015 0.000 1.055 383 A HN 0.411 nan 8.150 nan 0.000 0.492 384 E N 0.140 120.334 120.200 -0.011 0.000 2.070 384 E HA 0.470 4.820 4.350 0.000 0.000 0.282 384 E C 0.694 177.291 176.600 -0.004 0.000 1.104 384 E CA 1.375 57.771 56.400 -0.007 0.000 0.876 384 E CB -0.345 29.352 29.700 -0.006 0.000 1.055 384 E HN 1.481 nan 8.360 nan 0.000 0.401 385 G N 3.077 111.875 108.800 -0.003 0.000 2.443 385 G HA2 -0.159 3.801 3.960 0.000 0.000 0.209 385 G HA3 -0.159 3.801 3.960 0.000 0.000 0.209 385 G C -0.559 174.342 174.900 0.001 0.000 1.176 385 G CA -0.353 44.747 45.100 -0.000 0.000 1.074 385 G HN 0.550 nan 8.290 nan 0.000 0.577 386 T N 1.375 115.933 114.554 0.005 0.000 2.779 386 T HA 0.686 5.036 4.350 0.000 0.000 0.280 386 T C -0.325 174.384 174.700 0.014 0.000 0.987 386 T CA 0.222 62.328 62.100 0.010 0.000 0.966 386 T CB 1.571 70.447 68.868 0.013 0.000 0.933 386 T HN 0.712 nan 8.240 nan 0.000 0.442 387 T N 2.745 117.309 114.554 0.018 0.000 2.829 387 T HA 0.554 4.904 4.350 0.000 0.000 0.280 387 T C -0.462 174.263 174.700 0.042 0.000 0.999 387 T CA -0.517 61.598 62.100 0.024 0.000 0.983 387 T CB 1.315 70.194 68.868 0.019 0.000 0.968 387 T HN 0.312 nan 8.240 nan 0.000 0.446 388 V N 3.846 123.786 119.914 0.044 0.000 2.378 388 V HA 0.372 4.492 4.120 0.000 0.000 0.288 388 V C -0.196 175.935 176.094 0.061 0.000 1.016 388 V CA -0.760 61.575 62.300 0.058 0.000 0.840 388 V CB 1.702 33.552 31.823 0.044 0.000 0.994 388 V HN 0.718 nan 8.190 nan 0.000 0.431 389 V N 4.152 124.121 119.914 0.092 0.000 2.320 389 V HA 0.277 4.397 4.120 0.000 0.000 0.265 389 V C 0.111 176.225 176.094 0.033 0.000 1.048 389 V CA -0.427 61.921 62.300 0.080 0.000 0.865 389 V CB 1.231 33.138 31.823 0.140 0.000 1.043 389 V HN 0.859 nan 8.190 nan 0.000 0.474 390 D N 3.915 124.327 120.400 0.020 0.000 2.341 390 D HA 0.271 4.911 4.640 0.000 0.000 0.245 390 D C 0.863 177.157 176.300 -0.009 0.000 1.106 390 D CA -0.064 53.940 54.000 0.007 0.000 0.905 390 D CB 0.457 41.272 40.800 0.025 0.000 1.202 390 D HN 0.549 nan 8.370 nan 0.000 0.426 391 R N 2.168 122.663 120.500 -0.009 0.000 3.390 391 R HA -0.140 4.200 4.340 0.000 0.000 0.280 391 R C 0.946 177.126 176.300 -0.200 0.000 1.126 391 R CA 0.681 56.777 56.100 -0.007 0.000 0.757 391 R CB -2.052 28.276 30.300 0.046 0.000 1.296 391 R HN 0.653 nan 8.270 nan 0.000 0.431 392 I N -1.205 119.254 120.570 -0.185 0.000 3.334 392 I HA -0.115 4.055 4.170 0.000 0.000 0.282 392 I C 1.677 177.670 176.117 -0.206 0.000 1.313 392 I CA 0.546 61.701 61.300 -0.242 0.000 1.396 392 I CB -0.555 37.142 38.000 -0.505 0.000 1.054 392 I HN 0.366 nan 8.210 nan 0.000 0.495 393 Y N 0.264 120.473 120.300 -0.150 0.000 2.333 393 Y HA -0.191 4.359 4.550 -0.000 0.000 0.290 393 Y C 2.421 178.251 175.900 -0.116 0.000 1.144 393 Y CA 1.105 59.113 58.100 -0.154 0.000 1.228 393 Y CB -1.462 36.877 38.460 -0.203 0.000 0.985 393 Y HN 0.157 nan 8.280 nan 0.000 0.542 394 H N 0.929 119.645 119.070 -0.591 0.000 2.290 394 H HA -0.158 4.398 4.556 -0.000 0.000 0.298 394 H C 2.324 177.607 175.328 -0.076 0.000 1.087 394 H CA 2.238 58.099 56.048 -0.311 0.000 1.291 394 H CB -0.414 29.121 29.762 -0.377 0.000 1.369 394 H HN 0.458 nan 8.280 nan 0.000 0.492 395 I N 1.011 121.631 120.570 0.083 0.000 2.361 395 I HA -0.228 3.942 4.170 0.000 0.000 0.251 395 I C 1.845 178.087 176.117 0.207 0.000 1.133 395 I CA 1.078 62.487 61.300 0.181 0.000 1.413 395 I CB -0.181 37.920 38.000 0.168 0.000 1.073 395 I HN 0.088 nan 8.210 nan 0.000 0.424 396 D N 0.774 121.248 120.400 0.124 0.000 2.263 396 D HA -0.132 4.508 4.640 0.000 0.000 0.208 396 D C 2.238 178.604 176.300 0.110 0.000 0.971 396 D CA 0.911 54.985 54.000 0.124 0.000 0.867 396 D CB -0.174 40.678 40.800 0.086 0.000 0.929 396 D HN 0.343 nan 8.370 nan 0.000 0.492 397 R N -0.299 120.260 120.500 0.099 0.000 2.189 397 R HA 0.041 4.381 4.340 0.000 0.000 0.218 397 R C 2.017 178.337 176.300 0.035 0.000 1.074 397 R CA 1.111 57.253 56.100 0.070 0.000 0.991 397 R CB 0.053 30.396 30.300 0.073 0.000 0.883 397 R HN 0.139 nan 8.270 nan 0.000 0.457 398 G N -1.417 107.407 108.800 0.039 0.000 2.759 398 G HA2 0.073 4.033 3.960 0.000 0.000 0.208 398 G HA3 0.073 4.033 3.960 0.000 0.000 0.208 398 G C -0.192 174.500 174.900 -0.346 0.000 1.076 398 G CA -0.115 44.898 45.100 -0.144 0.000 0.789 398 G HN 0.075 nan 8.290 nan 0.000 0.546 399 Y N 0.067 120.400 120.300 0.055 0.000 2.442 399 Y HA 0.448 4.998 4.550 -0.000 0.000 0.344 399 Y C -0.215 175.738 175.900 0.089 0.000 0.976 399 Y CA -1.167 56.974 58.100 0.069 0.000 1.040 399 Y CB 2.009 40.505 38.460 0.060 0.000 1.228 399 Y HN -0.033 nan 8.280 nan 0.000 0.451 400 E N 4.371 124.707 120.200 0.226 0.000 2.029 400 E HA 0.196 4.547 4.350 0.000 0.000 0.276 400 E C -0.496 176.214 176.600 0.182 0.000 1.163 400 E CA -0.296 56.203 56.400 0.165 0.000 0.909 400 E CB 0.126 29.895 29.700 0.115 0.000 1.046 400 E HN 0.659 nan 8.360 nan 0.000 0.406 401 R N 3.648 124.251 120.500 0.172 0.000 3.059 401 R HA -0.218 4.122 4.340 0.000 0.000 0.251 401 R C 0.957 177.354 176.300 0.162 0.000 0.886 401 R CA 0.392 56.586 56.100 0.157 0.000 0.634 401 R CB -1.772 28.593 30.300 0.109 0.000 1.282 401 R HN 0.761 nan 8.270 nan 0.000 0.487 402 I N 1.310 121.990 120.570 0.184 0.000 2.493 402 I HA -0.240 3.930 4.170 0.000 0.000 0.254 402 I C 2.553 178.680 176.117 0.017 0.000 1.160 402 I CA 1.716 63.095 61.300 0.132 0.000 1.445 402 I CB -0.006 37.996 38.000 0.003 0.000 1.086 402 I HN 0.484 nan 8.210 nan 0.000 0.433 403 E N 0.420 120.586 120.200 -0.056 0.000 2.150 403 E HA -0.253 4.097 4.350 0.000 0.000 0.193 403 E C 1.181 177.743 176.600 -0.063 0.000 0.985 403 E CA 1.301 57.587 56.400 -0.190 0.000 0.814 403 E CB -0.470 29.076 29.700 -0.257 0.000 0.752 403 E HN 0.480 nan 8.360 nan 0.000 0.466 404 D N 1.876 122.279 120.400 0.004 0.000 2.097 404 D HA -0.100 4.540 4.640 0.000 0.000 0.197 404 D C 1.942 178.234 176.300 -0.014 0.000 0.984 404 D CA 1.324 55.326 54.000 0.003 0.000 0.826 404 D CB -0.142 40.671 40.800 0.022 0.000 0.973 404 D HN 0.293 nan 8.370 nan 0.000 0.460 405 K N 0.357 120.758 120.400 0.002 0.000 2.057 405 K HA -0.040 4.280 4.320 0.000 0.000 0.207 405 K C 2.374 178.951 176.600 -0.038 0.000 1.049 405 K CA 0.558 56.806 56.287 -0.065 0.000 0.931 405 K CB -0.132 32.301 32.500 -0.112 0.000 0.714 405 K HN 0.149 nan 8.250 nan 0.000 0.440 406 L N 0.465 121.720 121.223 0.054 0.000 2.056 406 L HA -0.136 4.204 4.340 0.000 0.000 0.207 406 L C 2.739 179.595 176.870 -0.023 0.000 1.078 406 L CA 1.019 55.885 54.840 0.044 0.000 0.749 406 L CB -0.301 41.751 42.059 -0.011 0.000 0.901 406 L HN 0.155 nan 8.230 nan 0.000 0.433 407 R N 0.359 120.832 120.500 -0.044 0.000 2.081 407 R HA -0.154 4.186 4.340 0.000 0.000 0.235 407 R C 2.188 178.465 176.300 -0.039 0.000 1.131 407 R CA 1.423 57.496 56.100 -0.044 0.000 0.960 407 R CB -0.266 30.009 30.300 -0.041 0.000 0.856 407 R HN 0.331 nan 8.270 nan 0.000 0.436 408 A N 0.055 122.848 122.820 -0.046 0.000 2.225 408 A HA -0.034 4.286 4.320 0.000 0.000 0.215 408 A C 1.631 179.180 177.584 -0.057 0.000 1.164 408 A CA 0.841 52.846 52.037 -0.053 0.000 0.710 408 A CB -0.208 18.751 19.000 -0.068 0.000 0.780 408 A HN 0.351 nan 8.150 nan 0.000 0.473 409 L N -2.010 119.184 121.223 -0.050 0.000 2.640 409 L HA 0.308 4.648 4.340 0.000 0.000 0.230 409 L C 1.476 178.329 176.870 -0.028 0.000 1.123 409 L CA 0.542 55.358 54.840 -0.040 0.000 0.900 409 L CB 0.299 42.344 42.059 -0.024 0.000 1.146 409 L HN 0.504 nan 8.230 nan 0.000 0.484 410 G N 0.038 108.820 108.800 -0.030 0.000 2.184 410 G HA2 -0.199 3.761 3.960 0.000 0.000 0.206 410 G HA3 -0.199 3.761 3.960 0.000 0.000 0.206 410 G C 0.349 175.233 174.900 -0.028 0.000 0.995 410 G CA -0.159 44.925 45.100 -0.026 0.000 0.651 410 G HN 0.394 nan 8.290 nan 0.000 0.511 411 A N 0.110 122.910 122.820 -0.034 0.000 2.440 411 A HA 0.577 4.897 4.320 0.000 0.000 0.251 411 A C 0.508 178.065 177.584 -0.046 0.000 1.089 411 A CA 0.169 52.180 52.037 -0.044 0.000 0.779 411 A CB 0.346 19.310 19.000 -0.061 0.000 1.022 411 A HN 0.475 nan 8.150 nan 0.000 0.492 412 N N 2.149 120.824 118.700 -0.042 0.000 2.602 412 N HA 0.352 5.092 4.740 0.000 0.000 0.238 412 N C -1.146 174.338 175.510 -0.044 0.000 1.084 412 N CA 0.079 53.109 53.050 -0.034 0.000 0.952 412 N CB -0.020 38.453 38.487 -0.022 0.000 1.244 412 N HN 0.651 nan 8.380 nan 0.000 0.512 413 I N 1.598 122.134 120.570 -0.056 0.000 2.752 413 I HA 0.376 4.546 4.170 0.000 0.000 0.295 413 I C -1.569 174.523 176.117 -0.041 0.000 1.219 413 I CA -0.648 60.602 61.300 -0.082 0.000 1.030 413 I CB 1.896 39.779 38.000 -0.194 0.000 1.259 413 I HN 0.424 nan 8.210 nan 0.000 0.423 414 E N 6.553 126.769 120.200 0.026 0.000 2.366 414 E HA 0.430 4.780 4.350 0.000 0.000 0.278 414 E C -1.473 175.261 176.600 0.223 0.000 0.923 414 E CA -1.121 55.333 56.400 0.091 0.000 0.761 414 E CB 2.250 31.988 29.700 0.064 0.000 1.231 414 E HN 0.528 nan 8.360 nan 0.000 0.443 415 R N 2.011 122.652 120.500 0.235 0.000 2.255 415 R HA 0.449 4.789 4.340 0.000 0.000 0.326 415 R C -0.545 175.824 176.300 0.114 0.000 0.986 415 R CA -0.575 55.680 56.100 0.258 0.000 0.847 415 R CB 1.421 31.878 30.300 0.262 0.000 1.111 415 R HN 0.536 nan 8.270 nan 0.000 0.452 416 V N 1.739 121.694 119.914 0.069 0.000 3.019 416 V HA 0.569 4.689 4.120 0.000 0.000 0.317 416 V C -0.542 175.557 176.094 0.008 0.000 1.094 416 V CA -0.829 61.494 62.300 0.037 0.000 1.000 416 V CB 2.269 34.116 31.823 0.040 0.000 1.060 416 V HN 0.722 nan 8.190 nan 0.000 0.443 417 K N 2.693 123.097 120.400 0.007 0.000 2.832 417 K HA 0.365 4.685 4.320 0.000 0.000 0.211 417 K C 0.670 177.269 176.600 -0.002 0.000 1.112 417 K CA 0.306 56.592 56.287 -0.003 0.000 1.108 417 K CB 0.445 32.944 32.500 -0.001 0.000 0.899 417 K HN 1.007 nan 8.250 nan 0.000 0.464 418 G N 0.000 108.801 108.800 0.001 0.000 5.446 418 G HA2 0.000 3.960 3.960 0.000 0.000 0.244 418 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 418 G CA 0.000 45.102 45.100 0.004 0.000 0.502 418 G HN 0.000 nan 8.290 nan 0.000 0.925