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 2fy3_1_A DATA FIRST_RESID 8 DATA SEQUENCE SEESGLPKLP VPPLQQTLAT YLQCMRHLVS EEQFRKSQAI VQQFGAPGGL DATA SEQUENCE GETLQQKLLE RQEKTANWVS EYWLNDMYLN NRLALPVNSS PAVIFARQHF DATA SEQUENCE PGTDDQLRFA ASLISGVLSY KALLDSHSIP TDCAKXXXXG QPLCMKQYYG DATA SEQUENCE LFSSYRLPGH TQDTLVAQNS SIMPEPEHVI VACCNQFFVL DVVINFRRLS DATA SEQUENCE EGDLFTQLRK IVKMASNAAA RLPPIGLLTS DGRSEWAEAR TVLVKDSTNR DATA SEQUENCE DSLDMIERCI CLVCLDAPGG VELSDTHRAL QLLHGGGYSK NGANRWYDKS DATA SEQUENCE LQFVVGRDGT CGVVCEHSPF DGIVLVQCTE HLLKHMTQPX XELVRSPMVP DATA SEQUENCE XLPAPRRLRW KCSPEIQGHL ASSAEKLQRI VKNLDFIVYK FDNYGKTFIK DATA SEQUENCE KQKCSPDAFI QVALQLAFYR LHRRLVPTYE SASIRRFQEG RVDNIRSATP DATA SEQUENCE EALAFVRAVT DHKAAVPASE KLLLLKDAIR AQTAYTVMAI TGMAIDNHLL DATA SEQUENCE ALRELARAMC AALPEMFMDE TYLMSNRFVL STSQVPTTTE MFCCYGPVVP DATA SEQUENCE NGYGACYNPQ PETILFCISS FHSCAATSSS KFAKAVEESL IDMRDLCSLL DATA SEQUENCE PP 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 8 S HA 0.000 nan 4.470 nan 0.000 0.327 8 S C 0.000 174.586 174.600 -0.024 0.000 1.055 8 S CA 0.000 58.188 58.200 -0.020 0.000 1.107 8 S CB 0.000 63.184 63.200 -0.027 0.000 0.593 9 E N 1.172 121.350 120.200 -0.035 0.000 3.449 9 E HA -0.203 4.147 4.350 -0.000 0.000 0.289 9 E C -0.770 175.807 176.600 -0.038 0.000 0.870 9 E CA 2.051 58.427 56.400 -0.041 0.000 0.946 9 E CB -0.650 29.033 29.700 -0.029 0.000 1.476 9 E HN 0.547 nan 8.360 nan 0.000 0.466 10 E N -0.577 119.605 120.200 -0.030 0.000 2.308 10 E HA 0.314 4.664 4.350 -0.000 0.000 0.275 10 E C -0.941 175.649 176.600 -0.018 0.000 0.890 10 E CA -0.216 56.170 56.400 -0.022 0.000 0.754 10 E CB 1.761 31.455 29.700 -0.010 0.000 1.207 10 E HN 0.079 nan 8.360 nan 0.000 0.426 11 S N 0.808 116.499 115.700 -0.015 0.000 2.643 11 S HA -0.002 4.467 4.470 -0.000 0.000 0.310 11 S C 1.146 175.748 174.600 0.002 0.000 1.253 11 S CA 0.987 59.184 58.200 -0.007 0.000 1.047 11 S CB 0.189 63.391 63.200 0.004 0.000 0.767 11 S HN 0.636 nan 8.310 nan 0.000 0.498 12 G N 4.258 113.058 108.800 0.000 0.000 3.126 12 G HA2 0.245 4.205 3.960 -0.000 0.000 0.224 12 G HA3 0.245 4.205 3.960 -0.000 0.000 0.224 12 G C 0.282 175.187 174.900 0.009 0.000 1.142 12 G CA -0.334 44.769 45.100 0.004 0.000 0.759 12 G HN 0.623 nan 8.290 nan 0.000 0.550 13 L N 0.999 122.228 121.223 0.011 0.000 2.452 13 L HA 0.295 4.634 4.340 -0.000 0.000 0.267 13 L C -2.013 174.888 176.870 0.052 0.000 1.188 13 L CA -1.781 53.065 54.840 0.009 0.000 0.821 13 L CB 0.828 42.888 42.059 0.000 0.000 1.102 13 L HN -0.089 nan 8.230 nan 0.000 0.470 14 P HA 0.157 nan 4.420 nan 0.000 0.274 14 P C -1.032 176.449 177.300 0.301 0.000 1.231 14 P CA -0.415 62.796 63.100 0.186 0.000 0.790 14 P CB 0.569 32.411 31.700 0.238 0.000 0.951 15 K N 1.168 121.714 120.400 0.244 0.000 2.154 15 K HA 0.253 4.573 4.320 -0.000 0.000 0.264 15 K C -0.022 176.662 176.600 0.140 0.000 1.008 15 K CA -0.886 55.516 56.287 0.191 0.000 0.937 15 K CB 0.311 32.891 32.500 0.134 0.000 1.002 15 K HN 0.320 nan 8.250 nan 0.000 0.469 16 L N 5.139 126.343 121.223 -0.033 0.000 2.559 16 L HA 0.030 4.370 4.340 -0.000 0.000 0.274 16 L C -2.177 174.633 176.870 -0.100 0.000 1.205 16 L CA -0.692 53.882 54.840 -0.443 0.000 0.907 16 L CB -0.035 41.736 42.059 -0.481 0.000 1.153 16 L HN 0.464 nan 8.230 nan 0.000 0.490 17 P HA 0.106 nan 4.420 nan 0.000 0.276 17 P C -1.166 176.151 177.300 0.028 0.000 1.244 17 P CA -0.311 62.732 63.100 -0.095 0.000 0.801 17 P CB 1.077 32.673 31.700 -0.172 0.000 1.006 18 V N 4.223 124.039 119.914 -0.163 0.000 2.318 18 V HA 0.237 4.357 4.120 -0.000 0.000 0.271 18 V C -1.699 174.168 176.094 -0.378 0.000 1.030 18 V CA -1.731 60.287 62.300 -0.469 0.000 0.844 18 V CB 0.666 32.123 31.823 -0.609 0.000 1.015 18 V HN 0.607 nan 8.190 nan 0.000 0.460 19 P HA 0.225 nan 4.420 nan 0.000 0.269 19 P C -2.654 174.579 177.300 -0.113 0.000 1.215 19 P CA -1.522 61.461 63.100 -0.195 0.000 0.780 19 P CB 0.030 31.690 31.700 -0.066 0.000 0.898 20 P HA -0.022 nan 4.420 nan 0.000 0.268 20 P C 1.039 178.442 177.300 0.171 0.000 1.205 20 P CA -0.277 62.857 63.100 0.057 0.000 0.771 20 P CB 0.640 32.360 31.700 0.033 0.000 0.858 21 L N 3.156 124.469 121.223 0.150 0.000 1.990 21 L HA -0.246 4.094 4.340 -0.000 0.000 0.213 21 L C 2.334 179.255 176.870 0.085 0.000 1.072 21 L CA 2.143 57.057 54.840 0.124 0.000 0.755 21 L CB -1.222 40.855 42.059 0.030 0.000 0.889 21 L HN 0.272 nan 8.230 nan 0.000 0.432 22 Q N -0.587 119.250 119.800 0.063 0.000 2.170 22 Q HA -0.260 4.079 4.340 -0.000 0.000 0.203 22 Q C 2.150 178.199 176.000 0.081 0.000 0.976 22 Q CA 1.796 57.635 55.803 0.060 0.000 0.858 22 Q CB -0.456 28.306 28.738 0.040 0.000 0.907 22 Q HN 0.752 nan 8.270 nan 0.000 0.433 23 Q N 0.023 119.876 119.800 0.089 0.000 2.050 23 Q HA -0.127 4.213 4.340 -0.000 0.000 0.202 23 Q C 1.639 177.713 176.000 0.123 0.000 0.980 23 Q CA 1.785 57.644 55.803 0.092 0.000 0.840 23 Q CB 0.123 28.909 28.738 0.080 0.000 0.898 23 Q HN 0.303 nan 8.270 nan 0.000 0.424 24 T N 1.564 116.212 114.554 0.157 0.000 2.737 24 T HA -0.081 4.269 4.350 -0.000 0.000 0.265 24 T C 1.838 176.643 174.700 0.175 0.000 1.038 24 T CA 1.213 63.418 62.100 0.175 0.000 1.144 24 T CB -0.170 68.798 68.868 0.166 0.000 0.866 24 T HN 0.243 nan 8.240 nan 0.000 0.434 25 L N 0.713 122.023 121.223 0.144 0.000 2.083 25 L HA -0.065 4.274 4.340 -0.000 0.000 0.209 25 L C 3.034 180.036 176.870 0.219 0.000 1.083 25 L CA 1.204 56.162 54.840 0.196 0.000 0.752 25 L CB -0.681 41.468 42.059 0.150 0.000 0.899 25 L HN 0.241 nan 8.230 nan 0.000 0.433 26 A N -0.463 122.452 122.820 0.158 0.000 1.898 26 A HA -0.160 4.160 4.320 -0.000 0.000 0.216 26 A C 2.372 180.054 177.584 0.163 0.000 1.181 26 A CA 2.129 54.249 52.037 0.138 0.000 0.620 26 A CB -0.806 18.255 19.000 0.102 0.000 0.819 26 A HN 0.342 nan 8.150 nan 0.000 0.442 27 T N -1.302 113.358 114.554 0.177 0.000 2.746 27 T HA -0.154 4.196 4.350 -0.000 0.000 0.267 27 T C 1.782 176.646 174.700 0.273 0.000 1.039 27 T CA 1.627 63.844 62.100 0.195 0.000 1.142 27 T CB -0.453 68.512 68.868 0.161 0.000 0.866 27 T HN 0.565 nan 8.240 nan 0.000 0.444 28 Y N 2.195 122.594 120.300 0.165 0.000 2.053 28 Y HA -0.178 4.372 4.550 -0.000 0.000 0.277 28 Y C 1.998 178.011 175.900 0.189 0.000 1.159 28 Y CA 1.180 59.387 58.100 0.179 0.000 1.125 28 Y CB -0.889 37.657 38.460 0.144 0.000 0.969 28 Y HN 0.141 nan 8.280 nan 0.000 0.492 29 L N 0.458 121.657 121.223 -0.040 0.000 2.042 29 L HA -0.265 4.075 4.340 -0.000 0.000 0.210 29 L C 2.788 179.747 176.870 0.148 0.000 1.076 29 L CA 1.926 56.743 54.840 -0.038 0.000 0.749 29 L CB -0.849 41.258 42.059 0.080 0.000 0.893 29 L HN 0.363 nan 8.230 nan 0.000 0.432 30 Q N 0.223 120.115 119.800 0.154 0.000 2.170 30 Q HA -0.216 4.124 4.340 -0.000 0.000 0.203 30 Q C 2.254 178.358 176.000 0.174 0.000 0.976 30 Q CA 2.282 58.176 55.803 0.152 0.000 0.858 30 Q CB -0.345 28.482 28.738 0.148 0.000 0.907 30 Q HN 0.614 nan 8.270 nan 0.000 0.433 31 C N 0.288 119.695 119.300 0.178 0.000 2.450 31 C HA 0.058 4.517 4.460 -0.000 0.000 0.279 31 C C 2.464 177.474 174.990 0.033 0.000 1.335 31 C CA 0.308 59.444 59.018 0.198 0.000 1.749 31 C CB -0.566 27.321 27.740 0.244 0.000 1.963 31 C HN 0.485 nan 8.230 nan 0.000 0.501 32 M N 0.162 119.730 119.600 -0.054 0.000 2.465 32 M HA 0.095 4.575 4.480 -0.000 0.000 0.249 32 M C 2.093 178.299 176.300 -0.156 0.000 1.130 32 M CA 0.408 55.622 55.300 -0.145 0.000 1.067 32 M CB -1.177 31.329 32.600 -0.157 0.000 1.394 32 M HN 0.415 nan 8.290 nan 0.000 0.483 33 R N 1.229 121.635 120.500 -0.156 0.000 2.112 33 R HA -0.211 4.128 4.340 -0.000 0.000 0.242 33 R C 1.914 178.017 176.300 -0.329 0.000 1.137 33 R CA 2.223 57.971 56.100 -0.586 0.000 0.944 33 R CB -0.399 29.424 30.300 -0.795 0.000 0.857 33 R HN 0.502 nan 8.270 nan 0.000 0.435 34 H N -0.586 118.354 119.070 -0.216 0.000 2.547 34 H HA 0.035 4.591 4.556 -0.000 0.000 0.266 34 H C 1.452 176.749 175.328 -0.052 0.000 0.988 34 H CA 0.419 56.392 56.048 -0.125 0.000 1.147 34 H CB -0.083 29.627 29.762 -0.087 0.000 1.365 34 H HN 0.309 nan 8.280 nan 0.000 0.589 35 L N 1.101 122.105 121.223 -0.365 0.000 2.693 35 L HA 0.195 4.535 4.340 -0.000 0.000 0.235 35 L C 0.382 177.195 176.870 -0.095 0.000 1.127 35 L CA -0.230 54.470 54.840 -0.233 0.000 0.914 35 L CB 0.808 42.685 42.059 -0.302 0.000 1.193 35 L HN 0.137 nan 8.230 nan 0.000 0.502 36 V N -4.693 115.183 119.914 -0.064 0.000 3.130 36 V HA 0.635 4.755 4.120 -0.000 0.000 0.310 36 V C 0.196 176.302 176.094 0.019 0.000 1.158 36 V CA -0.875 61.424 62.300 -0.002 0.000 1.029 36 V CB 1.626 33.471 31.823 0.036 0.000 1.057 36 V HN 0.123 nan 8.190 nan 0.000 0.436 37 S N 0.504 116.226 115.700 0.038 0.000 2.580 37 S HA 0.199 4.669 4.470 -0.000 0.000 0.266 37 S C 0.757 175.405 174.600 0.081 0.000 1.354 37 S CA 0.682 58.909 58.200 0.044 0.000 1.008 37 S CB 0.414 63.638 63.200 0.039 0.000 0.898 37 S HN 0.884 nan 8.310 nan 0.000 0.555 38 E N 0.471 120.714 120.200 0.072 0.000 2.106 38 E HA -0.169 4.180 4.350 -0.000 0.000 0.192 38 E C 1.976 178.655 176.600 0.133 0.000 0.984 38 E CA 1.236 57.703 56.400 0.113 0.000 0.806 38 E CB -0.142 29.601 29.700 0.071 0.000 0.750 38 E HN 0.902 nan 8.360 nan 0.000 0.458 39 E N 1.322 121.571 120.200 0.081 0.000 2.051 39 E HA -0.279 4.071 4.350 -0.000 0.000 0.192 39 E C 2.236 178.870 176.600 0.057 0.000 0.991 39 E CA 1.206 57.641 56.400 0.058 0.000 0.799 39 E CB 0.050 29.772 29.700 0.037 0.000 0.748 39 E HN 0.199 nan 8.360 nan 0.000 0.449 40 Q N -0.506 119.335 119.800 0.068 0.000 2.079 40 Q HA -0.187 4.153 4.340 -0.000 0.000 0.200 40 Q C 2.019 178.061 176.000 0.070 0.000 0.974 40 Q CA 1.438 57.274 55.803 0.055 0.000 0.840 40 Q CB -0.255 28.515 28.738 0.054 0.000 0.898 40 Q HN 0.366 nan 8.270 nan 0.000 0.430 41 F N 1.325 121.260 119.950 -0.025 0.000 2.134 41 F HA -0.140 4.387 4.527 -0.000 0.000 0.299 41 F C 2.392 178.176 175.800 -0.026 0.000 1.097 41 F CA 1.724 59.702 58.000 -0.036 0.000 1.264 41 F CB -0.211 38.770 39.000 -0.031 0.000 1.001 41 F HN -0.002 nan 8.300 nan 0.000 0.479 42 R N 0.579 121.076 120.500 -0.005 0.000 2.105 42 R HA -0.179 4.160 4.340 -0.000 0.000 0.239 42 R C 2.136 178.347 176.300 -0.149 0.000 1.135 42 R CA 1.810 57.856 56.100 -0.090 0.000 0.967 42 R CB -0.170 30.139 30.300 0.014 0.000 0.861 42 R HN 0.289 nan 8.270 nan 0.000 0.442 43 K N -0.570 119.769 120.400 -0.102 0.000 2.103 43 K HA 0.021 4.341 4.320 -0.000 0.000 0.204 43 K C 2.092 178.612 176.600 -0.133 0.000 1.052 43 K CA 1.410 57.642 56.287 -0.091 0.000 0.945 43 K CB 0.111 32.583 32.500 -0.047 0.000 0.722 43 K HN 0.059 nan 8.250 nan 0.000 0.443 44 S N 1.487 117.079 115.700 -0.179 0.000 2.402 44 S HA -0.140 4.330 4.470 -0.000 0.000 0.229 44 S C 1.853 176.293 174.600 -0.268 0.000 1.021 44 S CA 1.058 59.144 58.200 -0.191 0.000 0.974 44 S CB -0.096 62.995 63.200 -0.181 0.000 0.800 44 S HN 0.306 nan 8.310 nan 0.000 0.484 45 Q N 0.900 120.444 119.800 -0.427 0.000 2.050 45 Q HA -0.061 4.279 4.340 -0.000 0.000 0.202 45 Q C 2.571 178.460 176.000 -0.184 0.000 0.980 45 Q CA 1.460 57.036 55.803 -0.378 0.000 0.840 45 Q CB -0.376 28.088 28.738 -0.456 0.000 0.898 45 Q HN 0.601 nan 8.270 nan 0.000 0.424 46 A N 1.010 123.740 122.820 -0.150 0.000 1.877 46 A HA -0.179 4.141 4.320 -0.000 0.000 0.216 46 A C 2.060 179.604 177.584 -0.067 0.000 1.186 46 A CA 1.150 53.135 52.037 -0.087 0.000 0.620 46 A CB -0.720 18.237 19.000 -0.070 0.000 0.822 46 A HN 0.299 nan 8.150 nan 0.000 0.443 47 I N -0.358 120.164 120.570 -0.080 0.000 2.118 47 I HA -0.266 3.904 4.170 -0.000 0.000 0.241 47 I C 2.378 178.465 176.117 -0.050 0.000 1.070 47 I CA 1.509 62.766 61.300 -0.072 0.000 1.327 47 I CB -0.418 37.523 38.000 -0.099 0.000 1.034 47 I HN 0.168 nan 8.210 nan 0.000 0.405 48 V N 0.374 120.256 119.914 -0.053 0.000 2.343 48 V HA -0.281 3.838 4.120 -0.000 0.000 0.247 48 V C 2.483 178.610 176.094 0.054 0.000 1.051 48 V CA 1.777 64.083 62.300 0.009 0.000 1.036 48 V CB -0.744 31.097 31.823 0.030 0.000 0.654 48 V HN 0.509 nan 8.190 nan 0.000 0.451 49 Q N 0.294 120.096 119.800 0.003 0.000 2.096 49 Q HA -0.286 4.053 4.340 -0.000 0.000 0.204 49 Q C 2.274 178.281 176.000 0.011 0.000 0.982 49 Q CA 2.343 58.147 55.803 0.002 0.000 0.850 49 Q CB -0.255 28.470 28.738 -0.023 0.000 0.901 49 Q HN 0.788 nan 8.270 nan 0.000 0.422 50 Q N -1.117 118.692 119.800 0.015 0.000 2.123 50 Q HA -0.128 4.212 4.340 -0.000 0.000 0.199 50 Q C 1.984 178.009 176.000 0.042 0.000 0.966 50 Q CA 1.110 56.922 55.803 0.015 0.000 0.845 50 Q CB -0.222 28.521 28.738 0.009 0.000 0.907 50 Q HN 0.376 nan 8.270 nan 0.000 0.439 51 F N -0.036 119.853 119.950 -0.100 0.000 2.171 51 F HA 0.027 4.554 4.527 -0.000 0.000 0.300 51 F C 1.706 177.450 175.800 -0.093 0.000 1.090 51 F CA 1.814 59.741 58.000 -0.121 0.000 1.293 51 F CB -0.263 38.617 39.000 -0.200 0.000 1.013 51 F HN 0.112 nan 8.300 nan 0.000 0.486 52 G N -0.260 108.528 108.800 -0.021 0.000 3.088 52 G HA2 0.359 4.319 3.960 -0.000 0.000 0.217 52 G HA3 0.359 4.319 3.960 -0.000 0.000 0.217 52 G C 0.490 175.335 174.900 -0.092 0.000 1.159 52 G CA 0.239 45.275 45.100 -0.107 0.000 0.760 52 G HN 0.559 nan 8.290 nan 0.000 0.550 53 A N 0.925 123.699 122.820 -0.077 0.000 2.466 53 A HA 0.506 4.826 4.320 -0.000 0.000 0.238 53 A C -2.119 175.420 177.584 -0.074 0.000 1.074 53 A CA -0.795 51.207 52.037 -0.059 0.000 0.774 53 A CB 0.041 19.014 19.000 -0.044 0.000 1.015 53 A HN 0.146 nan 8.150 nan 0.000 0.498 54 P HA 0.219 nan 4.420 nan 0.000 0.260 54 P C 0.907 178.172 177.300 -0.057 0.000 1.185 54 P CA 1.967 65.036 63.100 -0.052 0.000 0.763 54 P CB 0.394 32.073 31.700 -0.035 0.000 0.776 55 G N 2.323 111.084 108.800 -0.066 0.000 2.153 55 G HA2 -0.168 3.791 3.960 -0.000 0.000 0.252 55 G HA3 -0.168 3.791 3.960 -0.000 0.000 0.252 55 G C 0.625 175.477 174.900 -0.080 0.000 0.994 55 G CA -0.125 44.937 45.100 -0.063 0.000 0.698 55 G HN 0.859 nan 8.290 nan 0.000 0.521 56 G N -1.360 107.373 108.800 -0.111 0.000 2.543 56 G HA2 0.591 4.551 3.960 -0.000 0.000 0.290 56 G HA3 0.591 4.551 3.960 -0.000 0.000 0.290 56 G C 1.151 175.933 174.900 -0.197 0.000 1.310 56 G CA 0.044 45.059 45.100 -0.141 0.000 1.025 56 G HN 0.810 nan 8.290 nan 0.000 0.502 57 L N 0.580 121.663 121.223 -0.232 0.000 2.046 57 L HA 0.076 4.416 4.340 -0.000 0.000 0.208 57 L C 2.795 179.377 176.870 -0.480 0.000 1.077 57 L CA 2.837 57.526 54.840 -0.252 0.000 0.747 57 L CB -1.005 40.980 42.059 -0.124 0.000 0.896 57 L HN 0.587 nan 8.230 nan 0.000 0.432 58 G N -0.970 107.232 108.800 -0.997 0.000 2.469 58 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.219 58 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.219 58 G C 1.428 176.051 174.900 -0.462 0.000 1.150 58 G CA 0.964 45.353 45.100 -1.186 0.000 0.763 58 G HN 0.578 nan 8.290 nan 0.000 0.561 59 E N -0.257 119.752 120.200 -0.318 0.000 2.150 59 E HA -0.070 4.280 4.350 -0.000 0.000 0.193 59 E C 2.725 179.248 176.600 -0.129 0.000 0.985 59 E CA 1.196 57.492 56.400 -0.172 0.000 0.814 59 E CB -0.201 29.420 29.700 -0.131 0.000 0.752 59 E HN 0.343 nan 8.360 nan 0.000 0.466 60 T N 1.805 116.276 114.554 -0.138 0.000 2.708 60 T HA -0.103 4.247 4.350 -0.000 0.000 0.266 60 T C 2.000 176.662 174.700 -0.063 0.000 1.037 60 T CA 0.826 62.874 62.100 -0.085 0.000 1.146 60 T CB -0.161 68.662 68.868 -0.075 0.000 0.865 60 T HN 0.086 nan 8.240 nan 0.000 0.435 61 L N 0.787 121.965 121.223 -0.075 0.000 2.093 61 L HA -0.122 4.218 4.340 -0.000 0.000 0.208 61 L C 2.852 179.714 176.870 -0.014 0.000 1.085 61 L CA 1.198 56.029 54.840 -0.015 0.000 0.755 61 L CB -0.567 41.517 42.059 0.041 0.000 0.904 61 L HN 0.239 nan 8.230 nan 0.000 0.435 62 Q N -0.072 119.704 119.800 -0.040 0.000 2.096 62 Q HA -0.241 4.098 4.340 -0.000 0.000 0.204 62 Q C 2.289 178.259 176.000 -0.049 0.000 0.982 62 Q CA 1.635 57.424 55.803 -0.023 0.000 0.850 62 Q CB -0.060 28.663 28.738 -0.026 0.000 0.901 62 Q HN 0.327 nan 8.270 nan 0.000 0.422 63 Q N 0.218 119.989 119.800 -0.048 0.000 2.124 63 Q HA -0.115 4.225 4.340 -0.000 0.000 0.202 63 Q C 1.879 177.859 176.000 -0.034 0.000 0.977 63 Q CA 1.443 57.220 55.803 -0.043 0.000 0.850 63 Q CB -0.084 28.631 28.738 -0.038 0.000 0.901 63 Q HN 0.468 nan 8.270 nan 0.000 0.429 64 K N 0.073 120.461 120.400 -0.020 0.000 2.155 64 K HA -0.096 4.224 4.320 -0.000 0.000 0.203 64 K C 2.021 178.621 176.600 -0.001 0.000 1.052 64 K CA 0.483 56.771 56.287 0.002 0.000 0.948 64 K CB -0.095 32.418 32.500 0.022 0.000 0.728 64 K HN 0.038 nan 8.250 nan 0.000 0.448 65 L N 1.422 122.626 121.223 -0.032 0.000 2.056 65 L HA -0.098 4.242 4.340 -0.000 0.000 0.207 65 L C 1.786 178.557 176.870 -0.164 0.000 1.078 65 L CA 1.468 56.250 54.840 -0.097 0.000 0.749 65 L CB -0.330 41.619 42.059 -0.183 0.000 0.901 65 L HN 0.107 nan 8.230 nan 0.000 0.433 66 L N -0.791 120.347 121.223 -0.141 0.000 2.083 66 L HA -0.209 4.131 4.340 -0.000 0.000 0.209 66 L C 2.467 179.301 176.870 -0.060 0.000 1.083 66 L CA 1.362 56.127 54.840 -0.125 0.000 0.752 66 L CB -0.498 41.505 42.059 -0.093 0.000 0.899 66 L HN 0.345 nan 8.230 nan 0.000 0.433 67 E N -0.283 119.898 120.200 -0.032 0.000 2.072 67 E HA -0.232 4.117 4.350 -0.000 0.000 0.191 67 E C 2.296 178.907 176.600 0.017 0.000 0.985 67 E CA 0.842 57.240 56.400 -0.003 0.000 0.801 67 E CB -0.039 29.664 29.700 0.005 0.000 0.750 67 E HN 0.285 nan 8.360 nan 0.000 0.452 68 R N 1.052 121.568 120.500 0.027 0.000 2.081 68 R HA -0.204 4.136 4.340 -0.000 0.000 0.235 68 R C 2.410 178.771 176.300 0.102 0.000 1.131 68 R CA 1.676 57.819 56.100 0.072 0.000 0.960 68 R CB -0.086 30.282 30.300 0.114 0.000 0.856 68 R HN 0.175 nan 8.270 nan 0.000 0.436 69 Q N 0.406 120.246 119.800 0.067 0.000 2.135 69 Q HA -0.242 4.097 4.340 -0.000 0.000 0.204 69 Q C 1.831 177.895 176.000 0.106 0.000 0.981 69 Q CA 1.979 57.864 55.803 0.137 0.000 0.856 69 Q CB -0.021 28.715 28.738 -0.003 0.000 0.902 69 Q HN 0.471 nan 8.270 nan 0.000 0.425 70 E N 0.071 120.303 120.200 0.053 0.000 2.072 70 E HA -0.154 4.196 4.350 -0.000 0.000 0.190 70 E C 1.507 178.134 176.600 0.045 0.000 0.982 70 E CA 0.919 57.345 56.400 0.042 0.000 0.803 70 E CB 0.190 29.903 29.700 0.022 0.000 0.755 70 E HN 0.294 nan 8.360 nan 0.000 0.453 71 K N 0.155 120.583 120.400 0.046 0.000 2.365 71 K HA 0.007 4.327 4.320 -0.000 0.000 0.197 71 K C 0.723 177.348 176.600 0.042 0.000 1.042 71 K CA 0.915 57.226 56.287 0.039 0.000 0.987 71 K CB 0.459 32.980 32.500 0.035 0.000 0.779 71 K HN 0.161 nan 8.250 nan 0.000 0.484 72 T N -3.783 110.806 114.554 0.058 0.000 2.942 72 T HA 0.550 4.899 4.350 -0.000 0.000 0.289 72 T C 0.960 175.692 174.700 0.053 0.000 1.044 72 T CA -0.698 61.431 62.100 0.048 0.000 1.023 72 T CB 2.028 70.925 68.868 0.048 0.000 1.123 72 T HN -0.060 nan 8.240 nan 0.000 0.512 73 A N 1.009 123.846 122.820 0.029 0.000 1.968 73 A HA 0.183 4.503 4.320 -0.000 0.000 0.217 73 A C 1.107 178.700 177.584 0.014 0.000 1.169 73 A CA 0.725 52.778 52.037 0.026 0.000 0.638 73 A CB -0.525 18.483 19.000 0.013 0.000 0.812 73 A HN 0.828 nan 8.150 nan 0.000 0.446 74 N N -0.533 118.152 118.700 -0.026 0.000 2.549 74 N HA 0.096 4.836 4.740 -0.000 0.000 0.290 74 N C 0.231 175.645 175.510 -0.161 0.000 1.122 74 N CA -0.558 52.405 53.050 -0.145 0.000 0.885 74 N CB 0.608 38.987 38.487 -0.180 0.000 1.455 74 N HN 0.455 nan 8.380 nan 0.000 0.521 75 W N 3.067 124.340 121.300 -0.045 0.000 2.611 75 W HA 0.114 4.774 4.660 -0.000 0.000 0.251 75 W C 0.215 176.686 176.519 -0.081 0.000 1.265 75 W CA 0.051 57.358 57.345 -0.063 0.000 1.295 75 W CB -0.439 29.010 29.460 -0.019 0.000 1.129 75 W HN 0.280 nan 8.180 nan 0.000 0.630 76 V N 0.684 120.300 119.914 -0.497 0.000 3.645 76 V HA -0.063 4.056 4.120 -0.000 0.000 0.275 76 V C 2.208 178.255 176.094 -0.079 0.000 1.356 76 V CA 1.113 63.268 62.300 -0.243 0.000 1.051 76 V CB 0.227 31.713 31.823 -0.562 0.000 0.828 76 V HN 0.009 nan 8.190 nan 0.000 0.441 77 S N 0.452 116.066 115.700 -0.144 0.000 2.380 77 S HA -0.337 4.133 4.470 -0.000 0.000 0.229 77 S C 1.793 176.455 174.600 0.103 0.000 1.050 77 S CA 2.553 60.756 58.200 0.006 0.000 1.100 77 S CB -0.315 62.865 63.200 -0.034 0.000 0.984 77 S HN 0.795 nan 8.310 nan 0.000 0.434 78 E N -0.049 120.133 120.200 -0.030 0.000 2.017 78 E HA -0.172 4.178 4.350 -0.000 0.000 0.193 78 E C 1.942 178.611 176.600 0.116 0.000 0.997 78 E CA 1.381 57.776 56.400 -0.009 0.000 0.804 78 E CB -0.275 29.344 29.700 -0.134 0.000 0.757 78 E HN 0.733 nan 8.360 nan 0.000 0.448 79 Y N -1.186 119.189 120.300 0.125 0.000 2.128 79 Y HA -0.274 4.276 4.550 -0.000 0.000 0.284 79 Y C 2.332 178.295 175.900 0.105 0.000 1.154 79 Y CA 0.749 58.914 58.100 0.108 0.000 1.149 79 Y CB -0.475 38.071 38.460 0.144 0.000 0.976 79 Y HN 0.354 nan 8.280 nan 0.000 0.505 80 W N 0.843 122.244 121.300 0.169 0.000 2.354 80 W HA -0.245 4.415 4.660 -0.001 0.000 0.315 80 W C 2.297 178.863 176.519 0.079 0.000 1.206 80 W CA 1.458 58.859 57.345 0.093 0.000 1.290 80 W CB -0.702 28.785 29.460 0.045 0.000 1.152 80 W HN 0.053 nan 8.180 nan 0.000 0.489 81 L N 1.875 123.209 121.223 0.185 0.000 2.043 81 L HA -0.304 4.036 4.340 -0.000 0.000 0.212 81 L C 1.964 178.756 176.870 -0.130 0.000 1.075 81 L CA 2.363 57.206 54.840 0.006 0.000 0.752 81 L CB -1.303 40.863 42.059 0.179 0.000 0.891 81 L HN 0.032 nan 8.230 nan 0.000 0.432 82 N N -0.451 118.220 118.700 -0.049 0.000 2.135 82 N HA -0.175 4.564 4.740 -0.000 0.000 0.186 82 N C 1.625 177.046 175.510 -0.147 0.000 1.027 82 N CA 1.563 54.578 53.050 -0.059 0.000 0.849 82 N CB -0.391 38.104 38.487 0.015 0.000 1.002 82 N HN 0.510 nan 8.380 nan 0.000 0.425 83 D N 0.244 120.541 120.400 -0.173 0.000 2.097 83 D HA -0.110 4.530 4.640 -0.000 0.000 0.195 83 D C 1.901 177.964 176.300 -0.395 0.000 0.989 83 D CA 0.933 54.801 54.000 -0.221 0.000 0.827 83 D CB 0.053 40.768 40.800 -0.142 0.000 0.966 83 D HN -0.016 nan 8.370 nan 0.000 0.456 84 M N -1.469 117.713 119.600 -0.697 0.000 2.200 84 M HA 0.011 4.491 4.480 -0.000 0.000 0.265 84 M C 0.582 176.222 176.300 -1.100 0.000 1.066 84 M CA 1.559 56.234 55.300 -1.042 0.000 1.127 84 M CB -0.029 31.555 32.600 -1.694 0.000 1.379 84 M HN 0.235 nan 8.290 nan 0.000 0.420 85 Y N -2.824 117.198 120.300 -0.462 0.000 3.012 85 Y HA 0.257 4.807 4.550 -0.000 0.000 0.236 85 Y C 1.666 177.444 175.900 -0.203 0.000 1.017 85 Y CA -0.235 57.680 58.100 -0.309 0.000 1.364 85 Y CB -0.141 38.138 38.460 -0.301 0.000 1.491 85 Y HN -0.172 nan 8.280 nan 0.000 0.435 86 L N 0.923 122.140 121.223 -0.010 0.000 2.129 86 L HA -0.257 4.083 4.340 -0.000 0.000 0.212 86 L C 1.144 177.987 176.870 -0.045 0.000 1.087 86 L CA 1.530 56.358 54.840 -0.021 0.000 0.757 86 L CB -0.439 41.613 42.059 -0.012 0.000 0.896 86 L HN 0.400 nan 8.230 nan 0.000 0.434 87 N N -0.663 117.990 118.700 -0.078 0.000 2.424 87 N HA -0.049 4.691 4.740 -0.000 0.000 0.178 87 N C 0.716 176.169 175.510 -0.095 0.000 1.060 87 N CA 0.181 53.180 53.050 -0.084 0.000 0.901 87 N CB -0.364 38.067 38.487 -0.094 0.000 0.979 87 N HN 0.210 nan 8.380 nan 0.000 0.451 88 N N 2.074 120.711 118.700 -0.106 0.000 2.447 88 N HA -0.042 4.698 4.740 -0.000 0.000 0.263 88 N C 0.726 176.190 175.510 -0.078 0.000 1.226 88 N CA 0.125 53.112 53.050 -0.105 0.000 0.906 88 N CB 0.573 38.991 38.487 -0.115 0.000 1.060 88 N HN -0.050 nan 8.380 nan 0.000 0.468 89 R N 2.750 123.201 120.500 -0.082 0.000 2.276 89 R HA 0.216 4.556 4.340 -0.000 0.000 0.196 89 R C 0.269 176.530 176.300 -0.065 0.000 0.961 89 R CA -0.052 56.004 56.100 -0.072 0.000 1.024 89 R CB -0.500 29.749 30.300 -0.084 0.000 0.940 89 R HN 0.535 nan 8.270 nan 0.000 0.480 90 L N 1.336 122.516 121.223 -0.071 0.000 2.483 90 L HA 0.108 4.448 4.340 -0.000 0.000 0.276 90 L C 0.730 177.557 176.870 -0.072 0.000 1.213 90 L CA -0.365 54.431 54.840 -0.074 0.000 0.843 90 L CB 0.191 42.208 42.059 -0.070 0.000 1.107 90 L HN 0.058 nan 8.230 nan 0.000 0.487 91 A N 3.277 126.041 122.820 -0.093 0.000 2.498 91 A HA 0.161 4.480 4.320 -0.000 0.000 0.239 91 A C 1.174 178.670 177.584 -0.147 0.000 1.068 91 A CA -0.249 51.708 52.037 -0.134 0.000 0.766 91 A CB 0.191 19.090 19.000 -0.169 0.000 1.003 91 A HN 0.837 nan 8.150 nan 0.000 0.497 92 L N 1.777 122.882 121.223 -0.196 0.000 2.042 92 L HA -0.045 4.295 4.340 -0.000 0.000 0.210 92 L C -1.375 175.374 176.870 -0.201 0.000 1.076 92 L CA 0.691 55.431 54.840 -0.167 0.000 0.749 92 L CB -1.538 40.435 42.059 -0.142 0.000 0.893 92 L HN 0.424 nan 8.230 nan 0.000 0.432 93 P HA 0.039 nan 4.420 nan 0.000 0.264 93 P C 0.763 178.032 177.300 -0.052 0.000 1.193 93 P CA 0.752 63.685 63.100 -0.277 0.000 0.763 93 P CB 1.155 32.601 31.700 -0.424 0.000 0.810 94 V N 1.508 121.442 119.914 0.033 0.000 0.489 94 V HA -0.429 3.691 4.120 -0.000 0.000 0.092 94 V C 2.064 178.234 176.094 0.126 0.000 2.367 94 V CA 2.496 64.850 62.300 0.091 0.000 3.630 94 V CB -1.588 30.331 31.823 0.161 0.000 0.914 94 V HN 0.646 nan 8.190 nan 0.000 0.957 95 N N -0.974 117.790 118.700 0.107 0.000 2.188 95 N HA -0.081 4.659 4.740 -0.000 0.000 0.184 95 N C 1.764 177.319 175.510 0.076 0.000 1.018 95 N CA 2.072 55.190 53.050 0.112 0.000 0.858 95 N CB 0.114 38.633 38.487 0.054 0.000 0.989 95 N HN 0.739 nan 8.380 nan 0.000 0.426 96 S N -0.711 115.028 115.700 0.065 0.000 3.056 96 S HA 0.148 4.618 4.470 -0.000 0.000 0.255 96 S C 0.152 174.831 174.600 0.133 0.000 1.079 96 S CA -0.410 57.851 58.200 0.102 0.000 0.810 96 S CB -0.056 63.201 63.200 0.095 0.000 0.810 96 S HN 0.054 nan 8.310 nan 0.000 0.477 97 S N 4.906 120.657 115.700 0.084 0.000 2.430 97 S HA 0.363 4.832 4.470 -0.000 0.000 0.282 97 S C -2.478 172.177 174.600 0.091 0.000 1.186 97 S CA -0.804 57.441 58.200 0.074 0.000 1.060 97 S CB 0.945 64.206 63.200 0.101 0.000 0.966 97 S HN 0.522 nan 8.310 nan 0.000 0.501 98 P HA 0.467 nan 4.420 nan 0.000 0.276 98 P C -1.091 176.221 177.300 0.020 0.000 1.252 98 P CA -0.618 62.564 63.100 0.136 0.000 0.802 98 P CB 0.857 32.686 31.700 0.216 0.000 1.035 99 A N 1.005 123.820 122.820 -0.009 0.000 2.414 99 A HA 0.601 4.921 4.320 -0.000 0.000 0.306 99 A C -1.046 176.464 177.584 -0.124 0.000 1.054 99 A CA -0.681 51.299 52.037 -0.095 0.000 0.724 99 A CB 1.412 20.328 19.000 -0.139 0.000 1.267 99 A HN 0.273 nan 8.150 nan 0.000 0.418 100 V N 2.769 122.577 119.914 -0.178 0.000 2.384 100 V HA 0.369 4.488 4.120 -0.000 0.000 0.287 100 V C -0.857 175.001 176.094 -0.393 0.000 1.020 100 V CA -0.255 61.929 62.300 -0.193 0.000 0.850 100 V CB 1.119 32.934 31.823 -0.013 0.000 0.987 100 V HN 0.679 nan 8.190 nan 0.000 0.436 101 I N 6.089 126.310 120.570 -0.583 0.000 2.315 101 I HA 0.436 4.606 4.170 -0.000 0.000 0.291 101 I C 0.043 175.989 176.117 -0.285 0.000 1.006 101 I CA 0.125 61.044 61.300 -0.635 0.000 1.265 101 I CB 0.517 37.914 38.000 -1.005 0.000 1.387 101 I HN 0.297 nan 8.210 nan 0.000 0.475 102 F N 3.745 123.617 119.950 -0.130 0.000 2.352 102 F HA 0.627 5.154 4.527 -0.001 0.000 0.304 102 F C 1.109 176.904 175.800 -0.009 0.000 1.215 102 F CA -1.454 56.535 58.000 -0.017 0.000 1.121 102 F CB -0.033 39.023 39.000 0.094 0.000 1.329 102 F HN 0.467 nan 8.300 nan 0.000 0.528 103 A N 0.916 123.892 122.820 0.260 0.000 2.448 103 A HA 0.231 4.551 4.320 -0.000 0.000 0.239 103 A C 0.658 178.295 177.584 0.088 0.000 1.080 103 A CA -0.477 51.652 52.037 0.153 0.000 0.779 103 A CB 0.046 19.119 19.000 0.121 0.000 1.026 103 A HN 0.602 nan 8.150 nan 0.000 0.499 104 R N 0.795 121.321 120.500 0.044 0.000 2.489 104 R HA 0.093 4.433 4.340 -0.000 0.000 0.287 104 R C -0.537 175.701 176.300 -0.104 0.000 1.053 104 R CA 0.229 56.311 56.100 -0.030 0.000 1.036 104 R CB 0.268 30.564 30.300 -0.006 0.000 0.966 104 R HN 0.780 nan 8.270 nan 0.000 0.432 105 Q N 1.980 121.612 119.800 -0.280 0.000 2.241 105 Q HA 0.215 4.555 4.340 -0.000 0.000 0.262 105 Q C -0.728 174.976 176.000 -0.492 0.000 1.014 105 Q CA -0.674 54.840 55.803 -0.481 0.000 0.885 105 Q CB 1.578 29.695 28.738 -1.036 0.000 1.311 105 Q HN 0.535 nan 8.270 nan 0.000 0.461 106 H N 0.537 119.302 119.070 -0.509 0.000 2.762 106 H HA 0.396 4.952 4.556 -0.000 0.000 0.310 106 H C -1.487 173.766 175.328 -0.126 0.000 1.004 106 H CA -0.376 55.498 56.048 -0.289 0.000 1.267 106 H CB -0.127 29.579 29.762 -0.094 0.000 1.437 106 H HN 0.424 nan 8.280 nan 0.000 0.498 107 F N 7.468 127.218 119.950 -0.332 0.000 2.310 107 F HA 0.244 4.771 4.527 0.000 0.000 0.365 107 F C -1.543 174.059 175.800 -0.331 0.000 1.080 107 F CA -2.065 55.782 58.000 -0.255 0.000 1.187 107 F CB 1.339 40.263 39.000 -0.127 0.000 1.465 107 F HN 0.541 nan 8.300 nan 0.000 0.496 108 P HA -0.115 nan 4.420 nan 0.000 0.215 108 P C 0.826 178.111 177.300 -0.025 0.000 1.157 108 P CA 0.925 63.937 63.100 -0.146 0.000 0.874 108 P CB 0.310 31.974 31.700 -0.059 0.000 0.790 109 G N -2.890 105.916 108.800 0.011 0.000 2.685 109 G HA2 0.340 4.300 3.960 -0.000 0.000 0.298 109 G HA3 0.340 4.300 3.960 -0.000 0.000 0.298 109 G C 0.606 175.508 174.900 0.004 0.000 1.277 109 G CA -0.155 44.954 45.100 0.016 0.000 0.986 109 G HN -0.177 nan 8.290 nan 0.000 0.487 110 T N 0.268 114.818 114.554 -0.006 0.000 2.833 110 T HA -0.073 4.277 4.350 -0.000 0.000 0.269 110 T C 1.618 176.292 174.700 -0.043 0.000 1.054 110 T CA 1.500 63.578 62.100 -0.037 0.000 1.135 110 T CB -0.095 68.752 68.868 -0.036 0.000 0.869 110 T HN 0.452 nan 8.240 nan 0.000 0.466 111 D N 1.243 121.664 120.400 0.034 0.000 2.269 111 D HA -0.056 4.584 4.640 -0.000 0.000 0.208 111 D C 1.670 178.033 176.300 0.105 0.000 0.963 111 D CA 0.688 54.800 54.000 0.187 0.000 0.864 111 D CB -0.130 40.841 40.800 0.284 0.000 0.936 111 D HN 0.404 nan 8.370 nan 0.000 0.505 112 D N 0.561 120.937 120.400 -0.040 0.000 2.162 112 D HA -0.129 4.511 4.640 -0.000 0.000 0.203 112 D C 1.992 177.955 176.300 -0.561 0.000 0.967 112 D CA 0.508 54.441 54.000 -0.111 0.000 0.840 112 D CB -0.049 40.781 40.800 0.049 0.000 0.972 112 D HN 0.336 nan 8.370 nan 0.000 0.482 113 Q N 0.775 120.071 119.800 -0.841 0.000 2.050 113 Q HA -0.122 4.218 4.340 -0.000 0.000 0.202 113 Q C 2.410 178.138 176.000 -0.453 0.000 0.980 113 Q CA 0.901 55.931 55.803 -1.288 0.000 0.840 113 Q CB -0.115 28.252 28.738 -0.619 0.000 0.898 113 Q HN 0.242 nan 8.270 nan 0.000 0.424 114 L N 0.108 121.237 121.223 -0.156 0.000 2.046 114 L HA -0.168 4.172 4.340 -0.000 0.000 0.208 114 L C 2.800 179.790 176.870 0.200 0.000 1.077 114 L CA 1.325 56.191 54.840 0.043 0.000 0.747 114 L CB -0.484 41.592 42.059 0.029 0.000 0.896 114 L HN 0.246 nan 8.230 nan 0.000 0.432 115 R N -0.767 119.853 120.500 0.201 0.000 2.096 115 R HA -0.191 4.148 4.340 -0.000 0.000 0.235 115 R C 2.273 178.615 176.300 0.069 0.000 1.127 115 R CA 1.585 57.732 56.100 0.078 0.000 0.968 115 R CB -0.374 29.869 30.300 -0.096 0.000 0.861 115 R HN 0.207 nan 8.270 nan 0.000 0.440 116 F N 1.109 121.013 119.950 -0.076 0.000 2.075 116 F HA -0.190 4.337 4.527 -0.001 0.000 0.297 116 F C 2.329 178.150 175.800 0.034 0.000 1.113 116 F CA 1.574 59.583 58.000 0.015 0.000 1.218 116 F CB -0.370 38.671 39.000 0.068 0.000 0.984 116 F HN -0.012 nan 8.300 nan 0.000 0.472 117 A N 0.369 123.337 122.820 0.247 0.000 1.908 117 A HA -0.155 4.165 4.320 -0.000 0.000 0.218 117 A C 2.376 179.981 177.584 0.035 0.000 1.181 117 A CA 2.011 54.143 52.037 0.159 0.000 0.627 117 A CB -1.613 17.467 19.000 0.133 0.000 0.818 117 A HN 0.531 nan 8.150 nan 0.000 0.445 118 A N -0.873 121.977 122.820 0.050 0.000 1.877 118 A HA -0.120 4.200 4.320 -0.000 0.000 0.216 118 A C 2.514 180.073 177.584 -0.041 0.000 1.186 118 A CA 2.265 54.321 52.037 0.032 0.000 0.620 118 A CB -1.051 18.017 19.000 0.113 0.000 0.822 118 A HN 0.619 nan 8.150 nan 0.000 0.443 119 S N -0.744 114.905 115.700 -0.086 0.000 2.368 119 S HA -0.122 4.348 4.470 -0.000 0.000 0.225 119 S C 1.973 176.455 174.600 -0.196 0.000 1.030 119 S CA 1.412 59.531 58.200 -0.134 0.000 0.999 119 S CB -0.483 62.603 63.200 -0.189 0.000 0.844 119 S HN 0.539 nan 8.310 nan 0.000 0.459 120 L N 0.668 121.723 121.223 -0.282 0.000 2.056 120 L HA 0.031 4.371 4.340 -0.000 0.000 0.207 120 L C 2.190 178.891 176.870 -0.281 0.000 1.078 120 L CA 1.500 56.155 54.840 -0.308 0.000 0.749 120 L CB -0.330 41.579 42.059 -0.250 0.000 0.901 120 L HN 0.378 nan 8.230 nan 0.000 0.433 121 I N -0.709 119.745 120.570 -0.192 0.000 2.286 121 I HA -0.308 3.861 4.170 -0.000 0.000 0.248 121 I C 2.781 178.785 176.117 -0.188 0.000 1.115 121 I CA 1.434 62.627 61.300 -0.179 0.000 1.392 121 I CB -0.396 37.553 38.000 -0.085 0.000 1.065 121 I HN 0.364 nan 8.210 nan 0.000 0.418 122 S N 0.996 116.605 115.700 -0.151 0.000 2.368 122 S HA -0.147 4.323 4.470 -0.000 0.000 0.225 122 S C 2.156 176.593 174.600 -0.272 0.000 1.030 122 S CA 1.686 59.803 58.200 -0.139 0.000 0.999 122 S CB -0.679 62.492 63.200 -0.049 0.000 0.844 122 S HN 0.537 nan 8.310 nan 0.000 0.459 123 G N 0.736 109.327 108.800 -0.349 0.000 2.422 123 G HA2 -0.130 3.830 3.960 -0.000 0.000 0.218 123 G HA3 -0.130 3.830 3.960 -0.000 0.000 0.218 123 G C 1.486 176.168 174.900 -0.362 0.000 1.146 123 G CA 1.099 45.859 45.100 -0.567 0.000 0.769 123 G HN 0.487 nan 8.290 nan 0.000 0.547 124 V N 0.938 120.662 119.914 -0.316 0.000 2.295 124 V HA -0.122 3.998 4.120 -0.000 0.000 0.246 124 V C 2.918 178.830 176.094 -0.302 0.000 1.049 124 V CA 1.448 63.576 62.300 -0.286 0.000 1.024 124 V CB -0.468 31.134 31.823 -0.368 0.000 0.648 124 V HN 0.343 nan 8.190 nan 0.000 0.447 125 L N -0.035 121.020 121.223 -0.279 0.000 2.042 125 L HA -0.191 4.149 4.340 -0.000 0.000 0.210 125 L C 2.719 179.471 176.870 -0.197 0.000 1.076 125 L CA 1.960 56.655 54.840 -0.242 0.000 0.749 125 L CB -0.695 41.260 42.059 -0.173 0.000 0.893 125 L HN 0.390 nan 8.230 nan 0.000 0.432 126 S N -1.122 114.467 115.700 -0.186 0.000 2.383 126 S HA -0.236 4.234 4.470 -0.000 0.000 0.227 126 S C 2.038 176.582 174.600 -0.094 0.000 1.026 126 S CA 0.995 59.121 58.200 -0.124 0.000 0.981 126 S CB -0.297 62.805 63.200 -0.163 0.000 0.818 126 S HN 0.460 nan 8.310 nan 0.000 0.472 127 Y N 1.865 122.026 120.300 -0.232 0.000 2.220 127 Y HA 0.084 4.634 4.550 -0.001 0.000 0.291 127 Y C 2.299 178.088 175.900 -0.185 0.000 1.129 127 Y CA 1.981 59.928 58.100 -0.254 0.000 1.161 127 Y CB -0.320 38.018 38.460 -0.204 0.000 0.997 127 Y HN 0.201 nan 8.280 nan 0.000 0.522 128 K N -0.056 120.234 120.400 -0.184 0.000 2.148 128 K HA -0.133 4.187 4.320 -0.000 0.000 0.204 128 K C 2.163 178.625 176.600 -0.230 0.000 1.050 128 K CA 0.990 57.134 56.287 -0.237 0.000 0.942 128 K CB -0.274 31.953 32.500 -0.455 0.000 0.724 128 K HN 0.368 nan 8.250 nan 0.000 0.446 129 A N 1.227 123.920 122.820 -0.211 0.000 1.902 129 A HA -0.116 4.204 4.320 -0.000 0.000 0.217 129 A C 2.048 179.515 177.584 -0.196 0.000 1.181 129 A CA 1.169 53.107 52.037 -0.165 0.000 0.623 129 A CB -0.534 18.399 19.000 -0.111 0.000 0.818 129 A HN 0.289 nan 8.150 nan 0.000 0.443 130 L N -0.760 120.306 121.223 -0.263 0.000 2.017 130 L HA -0.170 4.170 4.340 -0.000 0.000 0.208 130 L C 2.631 179.287 176.870 -0.356 0.000 1.073 130 L CA 1.403 56.064 54.840 -0.299 0.000 0.745 130 L CB -0.594 41.222 42.059 -0.404 0.000 0.894 130 L HN 0.531 nan 8.230 nan 0.000 0.432 131 L N -0.041 120.904 121.223 -0.463 0.000 1.955 131 L HA -0.274 4.065 4.340 -0.000 0.000 0.213 131 L C 2.194 178.866 176.870 -0.331 0.000 1.072 131 L CA 1.834 56.401 54.840 -0.455 0.000 0.755 131 L CB -0.436 41.397 42.059 -0.376 0.000 0.888 131 L HN 0.322 nan 8.230 nan 0.000 0.432 132 D N -0.331 119.923 120.400 -0.242 0.000 2.263 132 D HA -0.139 4.501 4.640 -0.000 0.000 0.208 132 D C 2.124 178.178 176.300 -0.411 0.000 0.971 132 D CA 1.466 55.330 54.000 -0.228 0.000 0.867 132 D CB -0.028 40.690 40.800 -0.136 0.000 0.929 132 D HN 0.514 nan 8.370 nan 0.000 0.492 133 S N -0.376 115.135 115.700 -0.315 0.000 2.605 133 S HA -0.048 4.422 4.470 -0.000 0.000 0.217 133 S C 0.402 174.900 174.600 -0.169 0.000 0.958 133 S CA -0.345 57.717 58.200 -0.230 0.000 0.919 133 S CB -0.342 62.797 63.200 -0.101 0.000 0.780 133 S HN 0.199 nan 8.310 nan 0.000 0.507 134 H N 0.233 119.315 119.070 0.019 0.000 2.820 134 H HA -0.123 4.433 4.556 -0.000 0.000 0.295 134 H C 0.500 175.803 175.328 -0.041 0.000 1.187 134 H CA 0.839 56.909 56.048 0.037 0.000 1.144 134 H CB -2.390 27.423 29.762 0.085 0.000 1.354 134 H HN 0.539 nan 8.280 nan 0.000 0.395 135 S N -0.229 115.444 115.700 -0.046 0.000 2.575 135 S HA 0.183 4.653 4.470 -0.000 0.000 0.215 135 S C 1.236 175.765 174.600 -0.119 0.000 0.966 135 S CA -0.286 57.876 58.200 -0.063 0.000 0.911 135 S CB 0.669 63.825 63.200 -0.074 0.000 0.780 135 S HN 0.300 nan 8.310 nan 0.000 0.514 136 I N 3.719 124.166 120.570 -0.206 0.000 2.505 136 I HA 0.127 4.297 4.170 -0.000 0.000 0.287 136 I C -2.371 173.622 176.117 -0.206 0.000 1.104 136 I CA -2.065 59.061 61.300 -0.290 0.000 1.387 136 I CB 0.327 38.001 38.000 -0.543 0.000 1.404 136 I HN -0.098 nan 8.210 nan 0.000 0.528 137 P HA -0.032 nan 4.420 nan 0.000 0.261 137 P C -0.360 176.882 177.300 -0.097 0.000 1.183 137 P CA 0.157 63.209 63.100 -0.080 0.000 0.761 137 P CB 0.148 31.825 31.700 -0.039 0.000 0.785 138 T N 3.995 118.513 114.554 -0.060 0.000 2.831 138 T HA 0.011 4.361 4.350 -0.000 0.000 0.291 138 T C 0.327 175.018 174.700 -0.014 0.000 0.981 138 T CA 0.061 62.139 62.100 -0.038 0.000 1.174 138 T CB -0.222 68.638 68.868 -0.012 0.000 0.929 138 T HN 0.346 nan 8.240 nan 0.000 0.532 139 D N 1.815 122.223 120.400 0.012 0.000 2.382 139 D HA 0.188 4.828 4.640 -0.000 0.000 0.240 139 D C -0.012 176.304 176.300 0.027 0.000 1.146 139 D CA -0.092 53.934 54.000 0.043 0.000 0.897 139 D CB 0.718 41.582 40.800 0.106 0.000 1.197 139 D HN 0.475 nan 8.370 nan 0.000 0.432 140 C N 0.696 120.010 119.300 0.022 0.000 2.493 140 C HA 0.509 4.969 4.460 -0.000 0.000 0.326 140 C C 1.305 176.299 174.990 0.007 0.000 1.200 140 C CA -0.746 58.276 59.018 0.006 0.000 1.739 140 C CB 1.204 28.947 27.740 0.004 0.000 2.300 140 C HN 0.699 nan 8.230 nan 0.000 0.500 141 A N 2.256 125.069 122.820 -0.012 0.000 2.081 141 A HA 0.116 4.436 4.320 -0.000 0.000 0.213 141 A C 0.776 178.361 177.584 0.002 0.000 1.374 141 A CA 0.748 52.777 52.037 -0.014 0.000 1.203 141 A CB -1.140 17.834 19.000 -0.043 0.000 0.786 141 A HN 0.983 nan 8.150 nan 0.000 0.535 148 Q N -0.267 119.514 119.800 -0.032 0.000 2.368 148 Q HA 0.516 4.856 4.340 -0.000 0.000 0.237 148 Q C -2.491 173.481 176.000 -0.047 0.000 0.987 148 Q CA -1.401 54.376 55.803 -0.045 0.000 0.896 148 Q CB 0.790 29.485 28.738 -0.071 0.000 1.241 148 Q HN 0.173 nan 8.270 nan 0.000 0.485 149 P HA 0.018 nan 4.420 nan 0.000 0.268 149 P C -0.950 176.322 177.300 -0.048 0.000 1.208 149 P CA 0.269 63.349 63.100 -0.033 0.000 0.777 149 P CB 0.461 32.145 31.700 -0.027 0.000 0.875 150 L N 1.354 122.566 121.223 -0.018 0.000 2.333 150 L HA 0.429 4.769 4.340 -0.000 0.000 0.269 150 L C 0.374 177.260 176.870 0.027 0.000 1.010 150 L CA -1.126 53.706 54.840 -0.013 0.000 0.818 150 L CB 1.899 43.969 42.059 0.018 0.000 1.306 150 L HN 0.436 nan 8.230 nan 0.000 0.430 151 C N 3.418 122.734 119.300 0.026 0.000 2.642 151 C HA 0.102 4.562 4.460 -0.000 0.000 0.420 151 C C 1.341 176.416 174.990 0.142 0.000 1.349 151 C CA -0.153 58.904 59.018 0.065 0.000 1.821 151 C CB -0.069 27.700 27.740 0.048 0.000 2.637 151 C HN 0.758 nan 8.230 nan 0.000 0.605 152 M N 4.868 124.587 119.600 0.198 0.000 2.346 152 M HA 0.105 4.585 4.480 -0.000 0.000 0.280 152 M C 1.776 178.347 176.300 0.451 0.000 1.075 152 M CA 0.196 55.709 55.300 0.355 0.000 0.989 152 M CB -0.920 31.842 32.600 0.270 0.000 1.447 152 M HN 0.817 nan 8.290 nan 0.000 0.511 153 K N 1.222 121.807 120.400 0.308 0.000 2.103 153 K HA -0.182 4.138 4.320 -0.000 0.000 0.207 153 K C 1.624 178.404 176.600 0.300 0.000 1.048 153 K CA 1.582 58.056 56.287 0.312 0.000 0.930 153 K CB 0.182 32.775 32.500 0.155 0.000 0.716 153 K HN 0.416 nan 8.250 nan 0.000 0.444 154 Q N -0.760 119.144 119.800 0.174 0.000 2.181 154 Q HA -0.209 4.131 4.340 -0.000 0.000 0.205 154 Q C 1.821 177.774 176.000 -0.077 0.000 0.980 154 Q CA 1.819 57.660 55.803 0.063 0.000 0.862 154 Q CB -0.191 28.531 28.738 -0.027 0.000 0.905 154 Q HN 0.434 nan 8.270 nan 0.000 0.429 155 Y N -1.172 119.094 120.300 -0.057 0.000 2.224 155 Y HA -0.233 4.317 4.550 -0.000 0.000 0.289 155 Y C 1.522 177.237 175.900 -0.309 0.000 1.146 155 Y CA 1.228 59.175 58.100 -0.255 0.000 1.182 155 Y CB -0.225 38.039 38.460 -0.327 0.000 0.983 155 Y HN 0.193 nan 8.280 nan 0.000 0.524 156 Y N -1.425 118.951 120.300 0.126 0.000 2.578 156 Y HA 0.072 4.621 4.550 -0.000 0.000 0.297 156 Y C 2.140 178.082 175.900 0.070 0.000 1.176 156 Y CA 0.657 58.816 58.100 0.098 0.000 1.315 156 Y CB -0.364 38.164 38.460 0.113 0.000 1.031 156 Y HN 0.052 nan 8.280 nan 0.000 0.524 157 G N -1.318 107.563 108.800 0.136 0.000 3.159 157 G HA2 0.068 4.028 3.960 -0.000 0.000 0.232 157 G HA3 0.068 4.028 3.960 -0.000 0.000 0.232 157 G C 1.363 176.300 174.900 0.060 0.000 1.116 157 G CA -0.114 45.078 45.100 0.152 0.000 0.767 157 G HN 0.313 nan 8.290 nan 0.000 0.547 158 L N -0.643 120.409 121.223 -0.285 0.000 2.017 158 L HA 0.034 4.374 4.340 -0.000 0.000 0.208 158 L C 1.911 178.444 176.870 -0.562 0.000 1.073 158 L CA 1.374 55.764 54.840 -0.751 0.000 0.745 158 L CB -0.208 41.100 42.059 -1.251 0.000 0.894 158 L HN 0.282 nan 8.230 nan 0.000 0.432 159 F N -2.497 117.503 119.950 0.083 0.000 2.706 159 F HA 0.109 4.636 4.527 0.000 0.000 0.313 159 F C 1.692 177.550 175.800 0.097 0.000 1.096 159 F CA -0.020 58.039 58.000 0.100 0.000 1.219 159 F CB 0.152 39.193 39.000 0.068 0.000 1.051 159 F HN -0.027 nan 8.300 nan 0.000 0.568 160 S N -1.458 114.381 115.700 0.232 0.000 2.663 160 S HA 0.302 4.772 4.470 -0.000 0.000 0.243 160 S C 0.127 174.837 174.600 0.182 0.000 1.009 160 S CA -0.367 57.947 58.200 0.189 0.000 0.988 160 S CB -0.174 63.129 63.200 0.173 0.000 0.896 160 S HN -0.043 nan 8.310 nan 0.000 0.502 161 S N 1.409 117.230 115.700 0.201 0.000 2.472 161 S HA 0.677 5.147 4.470 -0.000 0.000 0.303 161 S C -1.390 173.362 174.600 0.253 0.000 1.099 161 S CA -0.580 57.741 58.200 0.202 0.000 1.077 161 S CB 1.134 64.441 63.200 0.178 0.000 1.031 161 S HN 0.530 nan 8.310 nan 0.000 0.487 162 Y N 1.839 122.205 120.300 0.111 0.000 2.457 162 Y HA 0.524 5.074 4.550 0.000 0.000 0.343 162 Y C -0.458 175.513 175.900 0.119 0.000 0.994 162 Y CA -0.890 57.287 58.100 0.129 0.000 1.031 162 Y CB 1.273 39.813 38.460 0.132 0.000 1.246 162 Y HN 0.640 nan 8.280 nan 0.000 0.449 163 R N 7.293 127.532 120.500 -0.434 0.000 2.247 163 R HA 0.455 4.795 4.340 -0.000 0.000 0.329 163 R C -1.535 174.622 176.300 -0.238 0.000 1.014 163 R CA -0.428 55.533 56.100 -0.231 0.000 0.907 163 R CB 0.173 30.373 30.300 -0.166 0.000 1.146 163 R HN 0.805 nan 8.270 nan 0.000 0.499 164 L N 6.725 127.970 121.223 0.036 0.000 2.416 164 L HA 0.300 4.640 4.340 -0.000 0.000 0.272 164 L C -1.690 175.191 176.870 0.018 0.000 1.161 164 L CA -1.739 53.181 54.840 0.134 0.000 0.845 164 L CB 0.764 42.929 42.059 0.176 0.000 1.119 164 L HN 0.454 nan 8.230 nan 0.000 0.464 165 P HA 0.230 nan 4.420 nan 0.000 0.277 165 P C -0.521 176.721 177.300 -0.097 0.000 1.240 165 P CA -0.223 62.820 63.100 -0.096 0.000 0.798 165 P CB 1.543 33.071 31.700 -0.286 0.000 0.979 166 G N -0.292 108.479 108.800 -0.049 0.000 2.642 166 G HA2 0.264 4.224 3.960 -0.000 0.000 0.293 166 G HA3 0.264 4.224 3.960 -0.000 0.000 0.293 166 G C 0.165 175.077 174.900 0.020 0.000 1.341 166 G CA -0.327 44.762 45.100 -0.018 0.000 0.916 166 G HN 0.551 nan 8.290 nan 0.000 0.474 167 H N -0.454 118.583 119.070 -0.055 0.000 2.389 167 H HA -0.061 4.494 4.556 -0.000 0.000 0.299 167 H C 2.227 177.535 175.328 -0.034 0.000 1.081 167 H CA 3.017 59.038 56.048 -0.044 0.000 1.345 167 H CB 0.466 30.205 29.762 -0.039 0.000 1.393 167 H HN 0.528 nan 8.280 nan 0.000 0.520 168 T N -4.112 110.367 114.554 -0.125 0.000 2.992 168 T HA 0.177 4.526 4.350 -0.000 0.000 0.255 168 T C 0.530 175.176 174.700 -0.089 0.000 0.938 168 T CA -0.428 61.566 62.100 -0.177 0.000 0.895 168 T CB 0.618 69.391 68.868 -0.158 0.000 1.221 168 T HN 0.238 nan 8.240 nan 0.000 0.512 169 Q N 0.827 120.601 119.800 -0.044 0.000 2.289 169 Q HA 0.429 4.768 4.340 -0.000 0.000 0.270 169 Q C -1.865 174.127 176.000 -0.014 0.000 1.038 169 Q CA -0.622 55.164 55.803 -0.029 0.000 0.812 169 Q CB 1.988 30.717 28.738 -0.015 0.000 1.300 169 Q HN 0.119 nan 8.270 nan 0.000 0.427 170 D N 1.206 121.597 120.400 -0.014 0.000 2.377 170 D HA 0.348 4.988 4.640 -0.000 0.000 0.245 170 D C -0.748 175.558 176.300 0.010 0.000 1.196 170 D CA 0.353 54.351 54.000 -0.004 0.000 0.962 170 D CB 1.219 42.016 40.800 -0.006 0.000 1.127 170 D HN 0.353 nan 8.370 nan 0.000 0.471 171 T N 1.034 115.601 114.554 0.022 0.000 2.841 171 T HA 0.361 4.711 4.350 -0.000 0.000 0.285 171 T C -0.752 173.981 174.700 0.055 0.000 0.991 171 T CA -0.598 61.526 62.100 0.041 0.000 0.966 171 T CB 0.964 69.862 68.868 0.051 0.000 0.962 171 T HN 0.099 nan 8.240 nan 0.000 0.438 172 L N 5.638 126.895 121.223 0.055 0.000 2.261 172 L HA 0.559 4.899 4.340 -0.000 0.000 0.289 172 L C -0.666 176.262 176.870 0.096 0.000 1.059 172 L CA -0.253 54.626 54.840 0.065 0.000 0.816 172 L CB 0.407 42.498 42.059 0.053 0.000 1.191 172 L HN 0.427 nan 8.230 nan 0.000 0.431 173 V N 5.131 125.128 119.914 0.138 0.000 2.465 173 V HA 0.720 4.839 4.120 -0.000 0.000 0.279 173 V C 0.469 176.649 176.094 0.143 0.000 1.045 173 V CA -0.361 62.025 62.300 0.144 0.000 0.938 173 V CB 1.026 32.958 31.823 0.181 0.000 0.986 173 V HN 0.926 nan 8.190 nan 0.000 0.467 174 A N 3.985 126.874 122.820 0.115 0.000 2.291 174 A HA 0.655 4.975 4.320 -0.000 0.000 0.311 174 A C -0.297 177.346 177.584 0.098 0.000 1.224 174 A CA -0.625 51.481 52.037 0.115 0.000 0.821 174 A CB 1.070 20.133 19.000 0.105 0.000 1.172 174 A HN 0.790 nan 8.150 nan 0.000 0.494 175 Q N 1.982 121.843 119.800 0.102 0.000 2.337 175 Q HA 0.125 4.465 4.340 -0.000 0.000 0.270 175 Q C 0.245 176.288 176.000 0.071 0.000 1.002 175 Q CA 0.256 56.106 55.803 0.079 0.000 0.888 175 Q CB 0.419 29.203 28.738 0.077 0.000 1.222 175 Q HN 0.773 nan 8.270 nan 0.000 0.400 176 N N 1.008 119.741 118.700 0.054 0.000 2.482 176 N HA -0.011 4.728 4.740 -0.000 0.000 0.260 176 N C 0.481 176.018 175.510 0.045 0.000 1.236 176 N CA 0.756 53.833 53.050 0.046 0.000 0.938 176 N CB 0.903 39.411 38.487 0.034 0.000 1.128 176 N HN 0.708 nan 8.380 nan 0.000 0.448 177 S N 1.103 116.829 115.700 0.044 0.000 2.355 177 S HA -0.161 4.308 4.470 -0.000 0.000 0.222 177 S C 1.915 176.533 174.600 0.029 0.000 1.031 177 S CA 1.342 59.567 58.200 0.043 0.000 0.993 177 S CB -0.785 62.443 63.200 0.046 0.000 0.859 177 S HN 0.572 nan 8.310 nan 0.000 0.453 178 S N 0.542 116.258 115.700 0.026 0.000 2.442 178 S HA 0.116 4.586 4.470 -0.000 0.000 0.236 178 S C 1.074 175.684 174.600 0.017 0.000 1.007 178 S CA 0.584 58.796 58.200 0.021 0.000 0.965 178 S CB -0.474 62.739 63.200 0.021 0.000 0.773 178 S HN 0.515 nan 8.310 nan 0.000 0.504 179 I N 1.966 122.548 120.570 0.020 0.000 3.805 179 I HA 0.285 4.455 4.170 -0.000 0.000 0.337 179 I C -0.184 175.942 176.117 0.016 0.000 1.539 179 I CA 0.164 61.474 61.300 0.017 0.000 1.176 179 I CB -0.741 37.272 38.000 0.021 0.000 1.248 179 I HN 0.321 nan 8.210 nan 0.000 0.437 180 M N 4.859 124.464 119.600 0.008 0.000 2.193 180 M HA 0.217 4.697 4.480 -0.000 0.000 0.342 180 M C -1.679 174.612 176.300 -0.016 0.000 1.413 180 M CA -1.332 53.967 55.300 -0.003 0.000 1.191 180 M CB 0.085 32.676 32.600 -0.015 0.000 1.633 180 M HN -0.051 nan 8.290 nan 0.000 0.458 181 P HA -0.110 nan 4.420 nan 0.000 0.271 181 P C -0.828 176.465 177.300 -0.010 0.000 1.197 181 P CA 0.507 63.614 63.100 0.013 0.000 0.777 181 P CB 0.556 32.292 31.700 0.060 0.000 0.827 182 E N 1.548 121.746 120.200 -0.003 0.000 2.361 182 E HA 0.358 4.708 4.350 -0.000 0.000 0.270 182 E C -2.372 174.225 176.600 -0.006 0.000 0.911 182 E CA -1.700 54.687 56.400 -0.020 0.000 0.818 182 E CB 0.637 30.321 29.700 -0.027 0.000 1.332 182 E HN 0.324 nan 8.360 nan 0.000 0.402 183 P HA 0.318 nan 4.420 nan 0.000 0.279 183 P C -0.736 176.591 177.300 0.045 0.000 1.276 183 P CA -0.557 62.542 63.100 -0.002 0.000 0.801 183 P CB 0.933 32.633 31.700 -0.000 0.000 1.127 184 E N 0.259 120.467 120.200 0.012 0.000 2.313 184 E HA 0.233 4.583 4.350 -0.000 0.000 0.272 184 E C 0.143 176.791 176.600 0.080 0.000 1.038 184 E CA -0.394 56.017 56.400 0.018 0.000 0.863 184 E CB 0.549 30.205 29.700 -0.074 0.000 1.060 184 E HN 0.570 nan 8.360 nan 0.000 0.402 185 H N -1.087 117.963 119.070 -0.033 0.000 2.946 185 H HA 0.602 5.158 4.556 0.000 0.000 0.365 185 H C -0.901 174.430 175.328 0.004 0.000 1.197 185 H CA -1.103 54.935 56.048 -0.017 0.000 1.131 185 H CB 0.919 30.673 29.762 -0.014 0.000 1.849 185 H HN 0.322 nan 8.280 nan 0.000 0.555 186 V N -0.288 119.672 119.914 0.076 0.000 2.864 186 V HA 0.531 4.650 4.120 -0.000 0.000 0.314 186 V C -0.419 175.778 176.094 0.171 0.000 1.073 186 V CA -1.061 61.276 62.300 0.061 0.000 0.956 186 V CB 2.055 33.919 31.823 0.068 0.000 1.023 186 V HN 0.613 nan 8.190 nan 0.000 0.435 187 I N 3.275 123.950 120.570 0.175 0.000 2.321 187 I HA 0.427 4.597 4.170 -0.000 0.000 0.291 187 I C -0.214 176.058 176.117 0.259 0.000 0.998 187 I CA -0.418 61.019 61.300 0.227 0.000 1.227 187 I CB 1.591 39.703 38.000 0.187 0.000 1.368 187 I HN 0.492 nan 8.210 nan 0.000 0.466 188 V N 6.085 126.164 119.914 0.276 0.000 2.370 188 V HA 0.533 4.653 4.120 -0.000 0.000 0.279 188 V C 0.553 176.823 176.094 0.293 0.000 1.029 188 V CA -0.699 61.746 62.300 0.241 0.000 0.870 188 V CB 1.427 33.346 31.823 0.159 0.000 0.984 188 V HN 0.844 nan 8.190 nan 0.000 0.451 189 A N 4.289 127.243 122.820 0.223 0.000 2.260 189 A HA 0.666 4.986 4.320 -0.000 0.000 0.314 189 A C -0.428 177.180 177.584 0.039 0.000 1.257 189 A CA -0.335 51.756 52.037 0.090 0.000 0.871 189 A CB 0.765 19.834 19.000 0.115 0.000 1.166 189 A HN 0.923 nan 8.150 nan 0.000 0.522 190 C N 2.542 121.854 119.300 0.020 0.000 2.607 190 C HA 0.488 4.948 4.460 -0.000 0.000 0.350 190 C C 0.493 175.493 174.990 0.015 0.000 1.101 190 C CA 0.223 59.252 59.018 0.019 0.000 1.282 190 C CB -0.686 27.056 27.740 0.003 0.000 1.825 190 C HN 1.459 nan 8.230 nan 0.000 0.460 191 C N 5.556 124.848 119.300 -0.012 0.000 4.365 191 C HA -0.131 4.328 4.460 -0.000 0.000 0.299 191 C C 0.900 175.874 174.990 -0.026 0.000 1.409 191 C CA 1.167 60.180 59.018 -0.008 0.000 2.007 191 C CB -2.920 24.834 27.740 0.023 0.000 1.264 191 C HN 1.099 nan 8.230 nan 0.000 0.777 192 N N -2.179 116.464 118.700 -0.096 0.000 2.863 192 N HA -0.158 4.581 4.740 -0.000 0.000 0.245 192 N C -0.168 175.148 175.510 -0.324 0.000 1.001 192 N CA 1.810 54.759 53.050 -0.168 0.000 0.901 192 N CB -0.405 38.089 38.487 0.011 0.000 1.124 192 N HN 0.822 nan 8.380 nan 0.000 0.582 193 Q N -0.191 119.457 119.800 -0.254 0.000 2.245 193 Q HA 0.532 4.872 4.340 -0.000 0.000 0.256 193 Q C -0.184 175.617 176.000 -0.332 0.000 0.942 193 Q CA -0.149 55.549 55.803 -0.175 0.000 0.896 193 Q CB 0.690 29.491 28.738 0.105 0.000 1.272 193 Q HN 0.151 nan 8.270 nan 0.000 0.442 194 F N 1.769 121.760 119.950 0.068 0.000 2.458 194 F HA 0.513 5.040 4.527 -0.001 0.000 0.336 194 F C -0.345 175.332 175.800 -0.205 0.000 1.114 194 F CA -0.669 57.380 58.000 0.081 0.000 0.987 194 F CB 0.975 40.056 39.000 0.134 0.000 1.130 194 F HN 0.310 nan 8.300 nan 0.000 0.458 195 F N 1.745 121.806 119.950 0.185 0.000 2.540 195 F HA 0.556 5.082 4.527 -0.001 0.000 0.317 195 F C -0.429 175.419 175.800 0.080 0.000 1.104 195 F CA -1.317 56.735 58.000 0.087 0.000 0.913 195 F CB 1.703 40.729 39.000 0.045 0.000 1.170 195 F HN 0.016 nan 8.300 nan 0.000 0.450 196 V N 4.593 124.610 119.914 0.171 0.000 2.455 196 V HA 0.206 4.325 4.120 -0.000 0.000 0.273 196 V C -0.461 175.703 176.094 0.117 0.000 1.045 196 V CA -0.344 62.016 62.300 0.101 0.000 0.976 196 V CB 1.137 32.908 31.823 -0.087 0.000 0.993 196 V HN 0.510 nan 8.190 nan 0.000 0.475 197 L N 5.685 126.995 121.223 0.145 0.000 2.337 197 L HA 0.557 4.897 4.340 -0.000 0.000 0.269 197 L C -0.171 176.761 176.870 0.103 0.000 1.018 197 L CA -0.160 54.740 54.840 0.101 0.000 0.876 197 L CB 0.958 43.069 42.059 0.087 0.000 1.236 197 L HN 0.532 nan 8.230 nan 0.000 0.436 198 D N 3.637 124.077 120.400 0.067 0.000 2.455 198 D HA 0.102 4.741 4.640 -0.000 0.000 0.241 198 D C 1.063 177.386 176.300 0.039 0.000 1.138 198 D CA 0.512 54.551 54.000 0.065 0.000 0.877 198 D CB 1.934 42.748 40.800 0.023 0.000 1.187 198 D HN 0.495 nan 8.370 nan 0.000 0.451 199 V N -0.315 119.614 119.914 0.027 0.000 3.485 199 V HA 0.220 4.340 4.120 -0.000 0.000 0.280 199 V C 0.264 176.344 176.094 -0.024 0.000 1.495 199 V CA -0.066 62.230 62.300 -0.006 0.000 1.018 199 V CB 0.597 32.403 31.823 -0.029 0.000 0.818 199 V HN 0.233 nan 8.190 nan 0.000 0.436 200 V N 1.679 121.578 119.914 -0.025 0.000 2.555 200 V HA 0.469 4.589 4.120 -0.000 0.000 0.283 200 V C 0.494 176.566 176.094 -0.037 0.000 1.020 200 V CA -0.441 61.833 62.300 -0.043 0.000 0.883 200 V CB 1.451 33.221 31.823 -0.088 0.000 1.030 200 V HN 0.246 nan 8.190 nan 0.000 0.448 201 I N 2.250 122.813 120.570 -0.011 0.000 3.158 201 I HA 0.136 4.305 4.170 -0.000 0.000 0.224 201 I C 0.863 176.984 176.117 0.006 0.000 1.041 201 I CA 0.504 61.805 61.300 0.001 0.000 1.433 201 I CB 0.128 38.139 38.000 0.019 0.000 1.288 201 I HN 0.526 nan 8.210 nan 0.000 0.424 202 N N 1.046 119.791 118.700 0.076 0.000 3.228 202 N HA 0.225 4.964 4.740 -0.000 0.000 0.289 202 N C -0.666 175.090 175.510 0.410 0.000 1.419 202 N CA -0.118 53.056 53.050 0.207 0.000 1.088 202 N CB 0.661 39.264 38.487 0.192 0.000 1.357 202 N HN 0.335 nan 8.380 nan 0.000 0.504 203 F N -0.748 119.195 119.950 -0.012 0.000 2.705 203 F HA -0.312 4.215 4.527 -0.001 0.000 0.413 203 F C 0.675 176.464 175.800 -0.019 0.000 0.588 203 F CA 0.562 58.551 58.000 -0.018 0.000 1.187 203 F CB -1.094 37.897 39.000 -0.016 0.000 1.737 203 F HN 0.342 nan 8.300 nan 0.000 0.285 204 R N 1.843 122.431 120.500 0.147 0.000 2.288 204 R HA 0.474 4.814 4.340 -0.000 0.000 0.330 204 R C 0.043 176.363 176.300 0.033 0.000 1.069 204 R CA -0.478 55.670 56.100 0.079 0.000 0.941 204 R CB 0.677 31.015 30.300 0.063 0.000 0.998 204 R HN 0.264 nan 8.270 nan 0.000 0.452 205 R N 3.861 124.375 120.500 0.023 0.000 2.254 205 R HA 0.229 4.569 4.340 -0.000 0.000 0.318 205 R C -0.057 176.243 176.300 0.000 0.000 1.031 205 R CA -0.525 55.573 56.100 -0.003 0.000 0.905 205 R CB 0.776 31.070 30.300 -0.011 0.000 1.050 205 R HN 0.592 nan 8.270 nan 0.000 0.456 206 L N 3.708 124.928 121.223 -0.005 0.000 2.525 206 L HA 0.007 4.347 4.340 -0.000 0.000 0.278 206 L C 0.823 177.694 176.870 0.002 0.000 1.218 206 L CA 0.136 54.977 54.840 0.001 0.000 0.878 206 L CB 0.626 42.686 42.059 0.001 0.000 1.127 206 L HN 0.802 nan 8.230 nan 0.000 0.492 207 S N 1.274 116.979 115.700 0.010 0.000 2.589 207 S HA -0.015 4.455 4.470 -0.000 0.000 0.265 207 S C 0.903 175.512 174.600 0.016 0.000 1.342 207 S CA -0.401 57.806 58.200 0.011 0.000 1.005 207 S CB 1.167 64.375 63.200 0.013 0.000 0.909 207 S HN 0.762 nan 8.310 nan 0.000 0.555 208 E N 1.647 121.853 120.200 0.011 0.000 2.204 208 E HA -0.065 4.284 4.350 -0.000 0.000 0.195 208 E C 1.896 178.520 176.600 0.040 0.000 0.990 208 E CA 1.084 57.492 56.400 0.013 0.000 0.821 208 E CB -0.891 28.805 29.700 -0.008 0.000 0.750 208 E HN 0.910 nan 8.360 nan 0.000 0.477 209 G N 0.550 109.370 108.800 0.034 0.000 2.403 209 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.216 209 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.216 209 G C 1.256 176.232 174.900 0.127 0.000 1.154 209 G CA 0.768 45.908 45.100 0.067 0.000 0.784 209 G HN 0.212 nan 8.290 nan 0.000 0.538 210 D N 0.617 121.061 120.400 0.074 0.000 2.117 210 D HA -0.035 4.605 4.640 -0.000 0.000 0.198 210 D C 2.685 179.017 176.300 0.054 0.000 0.982 210 D CA 0.397 54.431 54.000 0.057 0.000 0.828 210 D CB -0.082 40.735 40.800 0.029 0.000 0.967 210 D HN 0.262 nan 8.370 nan 0.000 0.464 211 L N 0.152 121.411 121.223 0.058 0.000 2.042 211 L HA -0.189 4.150 4.340 -0.000 0.000 0.210 211 L C 2.443 179.353 176.870 0.066 0.000 1.076 211 L CA 0.871 55.738 54.840 0.045 0.000 0.749 211 L CB -0.475 41.606 42.059 0.037 0.000 0.893 211 L HN -0.023 nan 8.230 nan 0.000 0.432 212 F N 0.919 120.847 119.950 -0.037 0.000 2.069 212 F HA -0.266 4.261 4.527 -0.001 0.000 0.298 212 F C 2.510 178.283 175.800 -0.044 0.000 1.113 212 F CA 2.227 60.202 58.000 -0.042 0.000 1.214 212 F CB -0.648 38.330 39.000 -0.038 0.000 0.978 212 F HN -0.057 nan 8.300 nan 0.000 0.474 213 T N 0.600 115.125 114.554 -0.048 0.000 2.720 213 T HA -0.203 4.147 4.350 -0.000 0.000 0.268 213 T C 1.866 176.460 174.700 -0.177 0.000 1.037 213 T CA 1.557 63.566 62.100 -0.150 0.000 1.144 213 T CB -0.252 68.610 68.868 -0.010 0.000 0.864 213 T HN 0.305 nan 8.240 nan 0.000 0.444 214 Q N 0.643 120.376 119.800 -0.111 0.000 2.119 214 Q HA 0.094 4.434 4.340 -0.000 0.000 0.201 214 Q C 2.515 178.417 176.000 -0.162 0.000 0.972 214 Q CA 0.916 56.655 55.803 -0.107 0.000 0.847 214 Q CB -0.585 28.121 28.738 -0.053 0.000 0.903 214 Q HN 0.504 nan 8.270 nan 0.000 0.433 215 L N 0.080 121.194 121.223 -0.180 0.000 2.083 215 L HA -0.180 4.160 4.340 -0.000 0.000 0.209 215 L C 2.628 179.332 176.870 -0.276 0.000 1.083 215 L CA 1.142 55.860 54.840 -0.203 0.000 0.752 215 L CB -0.349 41.613 42.059 -0.163 0.000 0.899 215 L HN 0.165 nan 8.230 nan 0.000 0.433 216 R N 0.218 120.503 120.500 -0.359 0.000 2.081 216 R HA -0.158 4.182 4.340 -0.000 0.000 0.235 216 R C 2.330 178.480 176.300 -0.250 0.000 1.131 216 R CA 1.339 57.235 56.100 -0.339 0.000 0.960 216 R CB -0.150 29.902 30.300 -0.415 0.000 0.856 216 R HN 0.340 nan 8.270 nan 0.000 0.436 217 K N 0.280 120.544 120.400 -0.227 0.000 2.097 217 K HA -0.103 4.217 4.320 -0.000 0.000 0.206 217 K C 2.026 178.460 176.600 -0.276 0.000 1.049 217 K CA 1.182 57.353 56.287 -0.193 0.000 0.933 217 K CB -0.081 32.333 32.500 -0.145 0.000 0.717 217 K HN 0.193 nan 8.250 nan 0.000 0.442 218 I N 0.558 120.904 120.570 -0.373 0.000 2.252 218 I HA -0.239 3.931 4.170 -0.000 0.000 0.245 218 I C 2.137 177.928 176.117 -0.544 0.000 1.102 218 I CA 0.936 61.831 61.300 -0.675 0.000 1.385 218 I CB -0.188 37.447 38.000 -0.609 0.000 1.064 218 I HN -0.078 nan 8.210 nan 0.000 0.414 219 V N 1.052 120.772 119.914 -0.322 0.000 2.407 219 V HA -0.266 3.854 4.120 -0.000 0.000 0.248 219 V C 2.490 178.486 176.094 -0.163 0.000 1.055 219 V CA 1.755 63.929 62.300 -0.211 0.000 1.049 219 V CB -0.645 31.079 31.823 -0.165 0.000 0.662 219 V HN 0.351 nan 8.190 nan 0.000 0.455 220 K N 0.504 120.804 120.400 -0.167 0.000 2.001 220 K HA -0.089 4.231 4.320 -0.000 0.000 0.208 220 K C 2.056 178.613 176.600 -0.072 0.000 1.048 220 K CA 1.869 58.093 56.287 -0.105 0.000 0.932 220 K CB -0.436 32.004 32.500 -0.099 0.000 0.715 220 K HN 0.360 nan 8.250 nan 0.000 0.437 221 M N -0.158 119.381 119.600 -0.100 0.000 2.117 221 M HA -0.080 4.399 4.480 -0.000 0.000 0.262 221 M C 2.157 178.530 176.300 0.122 0.000 1.065 221 M CA 1.701 57.014 55.300 0.023 0.000 1.114 221 M CB -0.364 32.285 32.600 0.082 0.000 1.361 221 M HN 0.274 nan 8.290 nan 0.000 0.408 222 A N -0.533 122.315 122.820 0.047 0.000 2.070 222 A HA -0.093 4.226 4.320 -0.000 0.000 0.220 222 A C 2.001 179.637 177.584 0.086 0.000 1.159 222 A CA 1.651 53.786 52.037 0.164 0.000 0.656 222 A CB -0.538 18.504 19.000 0.070 0.000 0.800 222 A HN 0.456 nan 8.150 nan 0.000 0.453 223 S N 0.303 116.023 115.700 0.033 0.000 2.634 223 S HA 0.067 4.537 4.470 -0.000 0.000 0.221 223 S C 0.486 175.104 174.600 0.031 0.000 0.952 223 S CA -0.476 57.737 58.200 0.021 0.000 0.930 223 S CB -0.280 62.916 63.200 -0.006 0.000 0.780 223 S HN 0.591 nan 8.310 nan 0.000 0.498 224 N N 1.865 120.597 118.700 0.053 0.000 2.462 224 N HA 0.338 5.078 4.740 -0.000 0.000 0.242 224 N C 0.822 176.366 175.510 0.055 0.000 1.010 224 N CA -0.051 53.029 53.050 0.050 0.000 0.939 224 N CB 1.296 39.818 38.487 0.058 0.000 1.127 224 N HN 0.157 nan 8.380 nan 0.000 0.509 225 A N 3.917 126.763 122.820 0.043 0.000 1.940 225 A HA -0.109 4.211 4.320 -0.000 0.000 0.219 225 A C 1.990 179.602 177.584 0.046 0.000 1.176 225 A CA 1.829 53.892 52.037 0.044 0.000 0.631 225 A CB -0.516 18.505 19.000 0.034 0.000 0.814 225 A HN 0.722 nan 8.150 nan 0.000 0.446 226 A N -0.991 121.854 122.820 0.041 0.000 2.121 226 A HA 0.316 4.635 4.320 -0.000 0.000 0.218 226 A C 1.993 179.605 177.584 0.046 0.000 1.154 226 A CA 1.686 53.746 52.037 0.039 0.000 0.679 226 A CB -0.438 18.582 19.000 0.032 0.000 0.795 226 A HN 1.115 nan 8.150 nan 0.000 0.458 227 A N -1.213 121.640 122.820 0.056 0.000 2.431 227 A HA 0.319 4.639 4.320 -0.000 0.000 0.239 227 A C 1.038 178.666 177.584 0.073 0.000 1.230 227 A CA -0.273 51.800 52.037 0.061 0.000 0.928 227 A CB -0.147 18.893 19.000 0.067 0.000 1.006 227 A HN 0.389 nan 8.150 nan 0.000 0.520 228 R N 1.078 121.624 120.500 0.078 0.000 2.458 228 R HA 0.310 4.650 4.340 -0.000 0.000 0.303 228 R C -0.871 175.490 176.300 0.101 0.000 1.013 228 R CA 0.210 56.364 56.100 0.089 0.000 1.026 228 R CB 0.009 30.357 30.300 0.080 0.000 0.948 228 R HN 0.393 nan 8.270 nan 0.000 0.417 229 L N 6.187 127.488 121.223 0.131 0.000 2.365 229 L HA 0.527 4.866 4.340 -0.000 0.000 0.267 229 L C -1.897 175.073 176.870 0.168 0.000 1.033 229 L CA -2.686 52.263 54.840 0.182 0.000 0.802 229 L CB 1.292 43.533 42.059 0.303 0.000 1.267 229 L HN 0.545 nan 8.230 nan 0.000 0.457 230 P HA 0.050 nan 4.420 nan 0.000 0.269 230 P C -2.417 174.915 177.300 0.054 0.000 1.209 230 P CA -0.819 62.324 63.100 0.071 0.000 0.776 230 P CB -0.100 31.616 31.700 0.027 0.000 0.876 231 P HA 0.073 nan 4.420 nan 0.000 0.230 231 P C 0.737 178.041 177.300 0.006 0.000 1.791 231 P CA -0.020 63.134 63.100 0.091 0.000 1.020 231 P CB -0.289 31.522 31.700 0.184 0.000 1.977 232 I N 1.169 121.684 120.570 -0.092 0.000 2.315 232 I HA -0.179 3.991 4.170 -0.000 0.000 0.251 232 I C 2.504 178.460 176.117 -0.268 0.000 1.125 232 I CA 1.622 62.732 61.300 -0.318 0.000 1.392 232 I CB -2.043 35.386 38.000 -0.951 0.000 1.065 232 I HN 0.206 nan 8.210 nan 0.000 0.424 233 G N 0.807 109.685 108.800 0.129 0.000 2.462 233 G HA2 -0.236 3.723 3.960 -0.000 0.000 0.220 233 G HA3 -0.236 3.723 3.960 -0.000 0.000 0.220 233 G C 1.842 176.569 174.900 -0.288 0.000 1.121 233 G CA 0.262 45.335 45.100 -0.044 0.000 0.758 233 G HN 0.374 nan 8.290 nan 0.000 0.559 234 L N 0.038 121.169 121.223 -0.153 0.000 2.127 234 L HA -0.054 4.285 4.340 -0.000 0.000 0.211 234 L C 2.767 179.436 176.870 -0.335 0.000 1.089 234 L CA 0.935 55.681 54.840 -0.157 0.000 0.757 234 L CB -0.132 41.850 42.059 -0.128 0.000 0.899 234 L HN 0.258 nan 8.230 nan 0.000 0.434 235 L N -0.613 120.297 121.223 -0.521 0.000 2.131 235 L HA -0.199 4.141 4.340 -0.000 0.000 0.210 235 L C 2.543 178.766 176.870 -1.077 0.000 1.092 235 L CA 1.747 56.185 54.840 -0.670 0.000 0.759 235 L CB -1.079 40.554 42.059 -0.710 0.000 0.903 235 L HN 0.445 nan 8.230 nan 0.000 0.435 236 T N -3.892 109.819 114.554 -1.405 0.000 3.113 236 T HA -0.068 4.282 4.350 -0.000 0.000 0.263 236 T C 1.748 176.078 174.700 -0.616 0.000 1.143 236 T CA 0.841 62.096 62.100 -1.409 0.000 1.090 236 T CB -0.229 67.824 68.868 -1.358 0.000 0.922 236 T HN 0.411 nan 8.240 nan 0.000 0.521 237 S N -0.543 114.887 115.700 -0.450 0.000 2.575 237 S HA 0.141 4.611 4.470 -0.000 0.000 0.215 237 S C 0.531 174.925 174.600 -0.344 0.000 0.966 237 S CA -0.547 57.382 58.200 -0.452 0.000 0.911 237 S CB -0.160 62.891 63.200 -0.250 0.000 0.780 237 S HN 0.466 nan 8.310 nan 0.000 0.514 238 D N 1.616 121.852 120.400 -0.274 0.000 2.451 238 D HA 0.460 5.100 4.640 -0.000 0.000 0.259 238 D C 0.735 176.976 176.300 -0.098 0.000 1.201 238 D CA 0.124 54.033 54.000 -0.151 0.000 1.028 238 D CB 1.135 41.882 40.800 -0.087 0.000 1.095 238 D HN 0.311 nan 8.370 nan 0.000 0.539 239 G N 0.342 109.111 108.800 -0.051 0.000 2.559 239 G HA2 -0.031 3.929 3.960 -0.000 0.000 0.235 239 G HA3 -0.031 3.929 3.960 -0.000 0.000 0.235 239 G C 1.029 175.944 174.900 0.025 0.000 1.266 239 G CA -0.291 44.790 45.100 -0.032 0.000 0.847 239 G HN 0.366 nan 8.290 nan 0.000 0.583 240 R N 1.118 121.628 120.500 0.017 0.000 2.096 240 R HA -0.066 4.274 4.340 -0.000 0.000 0.235 240 R C 2.763 179.093 176.300 0.050 0.000 1.127 240 R CA 1.361 57.494 56.100 0.054 0.000 0.968 240 R CB -1.084 29.222 30.300 0.011 0.000 0.861 240 R HN 0.462 nan 8.270 nan 0.000 0.440 241 S N 1.098 116.811 115.700 0.020 0.000 2.406 241 S HA -0.072 4.398 4.470 -0.000 0.000 0.228 241 S C 1.680 176.325 174.600 0.076 0.000 1.020 241 S CA 0.981 59.205 58.200 0.041 0.000 0.965 241 S CB 0.034 63.235 63.200 0.001 0.000 0.798 241 S HN 0.290 nan 8.310 nan 0.000 0.488 242 E N 0.852 121.097 120.200 0.075 0.000 2.047 242 E HA -0.094 4.255 4.350 -0.000 0.000 0.191 242 E C 1.534 178.212 176.600 0.131 0.000 0.987 242 E CA 0.906 57.361 56.400 0.092 0.000 0.799 242 E CB -0.335 29.410 29.700 0.075 0.000 0.752 242 E HN 0.686 nan 8.360 nan 0.000 0.449 243 W N 0.983 122.227 121.300 -0.093 0.000 2.363 243 W HA -0.219 4.441 4.660 -0.001 0.000 0.296 243 W C 1.975 178.436 176.519 -0.097 0.000 1.212 243 W CA 1.064 58.334 57.345 -0.124 0.000 1.260 243 W CB 0.018 29.401 29.460 -0.129 0.000 1.131 243 W HN 0.152 nan 8.180 nan 0.000 0.530 244 A N 0.454 123.177 122.820 -0.161 0.000 1.933 244 A HA -0.278 4.042 4.320 -0.000 0.000 0.218 244 A C 1.873 179.313 177.584 -0.240 0.000 1.175 244 A CA 1.960 53.815 52.037 -0.304 0.000 0.628 244 A CB -0.961 17.968 19.000 -0.119 0.000 0.814 244 A HN 0.552 nan 8.150 nan 0.000 0.444 245 E N -0.248 119.875 120.200 -0.128 0.000 2.046 245 E HA -0.046 4.304 4.350 -0.000 0.000 0.190 245 E C 2.162 178.616 176.600 -0.244 0.000 0.982 245 E CA 0.873 57.197 56.400 -0.126 0.000 0.800 245 E CB -0.244 29.439 29.700 -0.029 0.000 0.756 245 E HN 0.506 nan 8.360 nan 0.000 0.449 246 A N 1.526 124.139 122.820 -0.345 0.000 1.902 246 A HA -0.194 4.126 4.320 -0.000 0.000 0.217 246 A C 2.205 179.668 177.584 -0.202 0.000 1.181 246 A CA 1.583 53.318 52.037 -0.503 0.000 0.623 246 A CB -0.570 18.244 19.000 -0.309 0.000 0.818 246 A HN 0.229 nan 8.150 nan 0.000 0.443 247 R N -0.759 119.522 120.500 -0.364 0.000 2.096 247 R HA -0.115 4.225 4.340 -0.000 0.000 0.235 247 R C 2.001 178.158 176.300 -0.239 0.000 1.127 247 R CA 1.932 57.725 56.100 -0.511 0.000 0.968 247 R CB -0.571 29.001 30.300 -1.214 0.000 0.861 247 R HN 0.464 nan 8.270 nan 0.000 0.440 248 T N 0.262 114.681 114.554 -0.225 0.000 2.833 248 T HA -0.095 4.255 4.350 -0.000 0.000 0.269 248 T C 1.732 176.395 174.700 -0.063 0.000 1.054 248 T CA 1.332 63.356 62.100 -0.127 0.000 1.135 248 T CB -0.046 68.752 68.868 -0.118 0.000 0.869 248 T HN 0.047 nan 8.240 nan 0.000 0.466 249 V N 1.353 121.234 119.914 -0.055 0.000 2.283 249 V HA -0.082 4.038 4.120 -0.000 0.000 0.243 249 V C 2.484 178.602 176.094 0.041 0.000 1.039 249 V CA 1.341 63.647 62.300 0.010 0.000 1.016 249 V CB -0.666 31.185 31.823 0.045 0.000 0.650 249 V HN 0.434 nan 8.190 nan 0.000 0.449 250 L N -0.061 121.195 121.223 0.055 0.000 2.013 250 L HA -0.198 4.142 4.340 -0.000 0.000 0.212 250 L C 2.436 179.373 176.870 0.112 0.000 1.073 250 L CA 1.384 56.299 54.840 0.125 0.000 0.753 250 L CB -0.795 41.380 42.059 0.194 0.000 0.890 250 L HN 0.208 nan 8.230 nan 0.000 0.432 251 V N -0.123 119.829 119.914 0.063 0.000 2.828 251 V HA -0.271 3.849 4.120 -0.000 0.000 0.260 251 V C 2.325 178.441 176.094 0.035 0.000 1.101 251 V CA 1.477 63.804 62.300 0.045 0.000 1.123 251 V CB -0.754 31.071 31.823 0.005 0.000 0.704 251 V HN 0.439 nan 8.190 nan 0.000 0.493 252 K N -0.043 120.379 120.400 0.036 0.000 2.209 252 K HA -0.098 4.222 4.320 -0.000 0.000 0.204 252 K C 1.008 177.630 176.600 0.036 0.000 1.048 252 K CA 0.740 57.045 56.287 0.030 0.000 0.940 252 K CB -0.001 32.518 32.500 0.031 0.000 0.729 252 K HN 0.535 nan 8.250 nan 0.000 0.451 253 D N -0.472 119.961 120.400 0.054 0.000 2.163 253 D HA 0.028 4.667 4.640 -0.000 0.000 0.248 253 D C 0.479 176.804 176.300 0.042 0.000 1.035 253 D CA -0.028 54.003 54.000 0.052 0.000 0.872 253 D CB 2.031 42.875 40.800 0.074 0.000 1.183 253 D HN -0.141 nan 8.370 nan 0.000 0.445 254 S N 2.125 117.838 115.700 0.022 0.000 2.382 254 S HA -0.144 4.326 4.470 -0.000 0.000 0.228 254 S C 1.632 176.225 174.600 -0.013 0.000 1.027 254 S CA 1.899 60.101 58.200 0.002 0.000 0.991 254 S CB -0.021 63.176 63.200 -0.006 0.000 0.823 254 S HN 0.646 nan 8.310 nan 0.000 0.469 255 T N 2.621 117.169 114.554 -0.008 0.000 2.777 255 T HA -0.012 4.338 4.350 -0.000 0.000 0.266 255 T C 1.738 176.399 174.700 -0.065 0.000 1.040 255 T CA 1.300 63.372 62.100 -0.047 0.000 1.141 255 T CB -0.423 68.427 68.868 -0.030 0.000 0.868 255 T HN 0.444 nan 8.240 nan 0.000 0.444 256 N N 1.200 119.929 118.700 0.049 0.000 2.188 256 N HA 0.014 4.754 4.740 -0.000 0.000 0.184 256 N C 2.029 177.595 175.510 0.094 0.000 1.018 256 N CA 0.745 53.892 53.050 0.162 0.000 0.858 256 N CB -0.213 38.471 38.487 0.329 0.000 0.989 256 N HN 0.377 nan 8.380 nan 0.000 0.426 257 R N 0.739 121.268 120.500 0.049 0.000 2.096 257 R HA -0.096 4.244 4.340 -0.000 0.000 0.235 257 R C 1.192 177.467 176.300 -0.042 0.000 1.127 257 R CA 1.324 57.435 56.100 0.018 0.000 0.968 257 R CB -0.190 30.114 30.300 0.006 0.000 0.861 257 R HN 0.239 nan 8.270 nan 0.000 0.440 258 D N -0.178 120.172 120.400 -0.083 0.000 2.117 258 D HA -0.077 4.563 4.640 -0.000 0.000 0.198 258 D C 1.937 178.115 176.300 -0.203 0.000 0.982 258 D CA 1.268 55.190 54.000 -0.130 0.000 0.828 258 D CB -0.076 40.643 40.800 -0.136 0.000 0.967 258 D HN -0.003 nan 8.370 nan 0.000 0.464 259 S N -0.070 115.446 115.700 -0.307 0.000 2.355 259 S HA -0.053 4.417 4.470 -0.000 0.000 0.222 259 S C 2.084 176.477 174.600 -0.345 0.000 1.031 259 S CA 0.506 58.403 58.200 -0.505 0.000 0.993 259 S CB -0.271 62.241 63.200 -1.147 0.000 0.859 259 S HN 0.213 nan 8.310 nan 0.000 0.453 260 L N 1.255 122.401 121.223 -0.129 0.000 2.079 260 L HA -0.194 4.145 4.340 -0.000 0.000 0.210 260 L C 2.404 179.169 176.870 -0.176 0.000 1.081 260 L CA 1.618 56.439 54.840 -0.032 0.000 0.752 260 L CB -0.610 41.546 42.059 0.162 0.000 0.896 260 L HN 0.320 nan 8.230 nan 0.000 0.433 261 D N -0.370 119.944 120.400 -0.144 0.000 2.117 261 D HA -0.225 4.414 4.640 -0.000 0.000 0.197 261 D C 2.250 178.466 176.300 -0.139 0.000 0.987 261 D CA 1.249 55.164 54.000 -0.142 0.000 0.829 261 D CB 0.151 40.893 40.800 -0.098 0.000 0.961 261 D HN 0.042 nan 8.370 nan 0.000 0.460 262 M N 0.016 119.528 119.600 -0.146 0.000 2.213 262 M HA -0.042 4.437 4.480 -0.000 0.000 0.263 262 M C 2.253 178.557 176.300 0.006 0.000 1.062 262 M CA 0.928 56.193 55.300 -0.057 0.000 1.105 262 M CB -0.723 31.772 32.600 -0.174 0.000 1.385 262 M HN 0.265 nan 8.290 nan 0.000 0.417 263 I N -0.404 120.027 120.570 -0.231 0.000 2.286 263 I HA -0.231 3.939 4.170 -0.000 0.000 0.245 263 I C 1.983 177.911 176.117 -0.316 0.000 1.104 263 I CA 1.012 62.097 61.300 -0.359 0.000 1.397 263 I CB -0.386 37.121 38.000 -0.821 0.000 1.072 263 I HN 0.324 nan 8.210 nan 0.000 0.417 264 E N 0.699 120.624 120.200 -0.458 0.000 2.268 264 E HA -0.135 4.215 4.350 -0.000 0.000 0.195 264 E C 1.559 178.036 176.600 -0.205 0.000 0.995 264 E CA 0.700 56.725 56.400 -0.624 0.000 0.836 264 E CB 0.106 29.390 29.700 -0.693 0.000 0.763 264 E HN 0.418 nan 8.360 nan 0.000 0.491 265 R N 0.143 120.577 120.500 -0.110 0.000 2.509 265 R HA 0.151 4.490 4.340 -0.000 0.000 0.300 265 R C 0.476 176.665 176.300 -0.185 0.000 0.985 265 R CA -0.231 55.840 56.100 -0.049 0.000 1.092 265 R CB 0.213 30.530 30.300 0.028 0.000 1.237 265 R HN 0.176 nan 8.270 nan 0.000 0.546 266 C N -1.516 117.642 119.300 -0.237 0.000 2.563 266 C HA 0.360 4.820 4.460 -0.000 0.000 0.358 266 C C 1.973 176.860 174.990 -0.173 0.000 1.336 266 C CA -0.844 57.894 59.018 -0.467 0.000 2.454 266 C CB 0.229 27.848 27.740 -0.201 0.000 2.448 266 C HN 0.333 nan 8.230 nan 0.000 0.670 267 I N 0.899 121.381 120.570 -0.147 0.000 2.406 267 I HA 0.079 4.249 4.170 -0.000 0.000 0.249 267 I C 1.179 177.437 176.117 0.234 0.000 1.122 267 I CA 1.766 63.084 61.300 0.030 0.000 1.431 267 I CB -0.165 37.778 38.000 -0.094 0.000 1.087 267 I HN 1.066 nan 8.210 nan 0.000 0.424 268 C N -2.457 116.958 119.300 0.193 0.000 3.056 268 C HA 0.507 4.967 4.460 -0.000 0.000 0.336 268 C C -1.372 173.767 174.990 0.247 0.000 1.356 268 C CA -1.631 57.566 59.018 0.298 0.000 1.216 268 C CB 0.402 28.454 27.740 0.520 0.000 1.391 268 C HN -0.005 nan 8.230 nan 0.000 0.445 269 L N 1.155 122.544 121.223 0.277 0.000 2.334 269 L HA 0.813 5.153 4.340 -0.000 0.000 0.273 269 L C -0.299 176.759 176.870 0.312 0.000 1.013 269 L CA -0.292 54.706 54.840 0.263 0.000 0.816 269 L CB 1.961 44.168 42.059 0.247 0.000 1.278 269 L HN 0.734 nan 8.230 nan 0.000 0.431 270 V N 1.659 121.733 119.914 0.267 0.000 2.349 270 V HA 0.251 4.371 4.120 -0.000 0.000 0.284 270 V C -0.751 175.462 176.094 0.199 0.000 1.014 270 V CA -0.731 61.722 62.300 0.257 0.000 0.826 270 V CB 1.289 33.233 31.823 0.203 0.000 1.009 270 V HN 0.789 nan 8.190 nan 0.000 0.431 271 C N 6.347 125.757 119.300 0.183 0.000 2.256 271 C HA 0.445 4.904 4.460 -0.000 0.000 0.333 271 C C 0.756 175.809 174.990 0.105 0.000 1.183 271 C CA -0.842 58.253 59.018 0.130 0.000 1.692 271 C CB -0.806 26.993 27.740 0.099 0.000 2.274 271 C HN 0.715 nan 8.230 nan 0.000 0.509 272 L N 3.799 125.068 121.223 0.076 0.000 2.387 272 L HA 0.191 4.531 4.340 -0.000 0.000 0.267 272 L C -0.024 176.869 176.870 0.037 0.000 1.197 272 L CA 0.117 54.989 54.840 0.054 0.000 1.070 272 L CB -0.617 41.453 42.059 0.019 0.000 1.349 272 L HN 0.614 nan 8.230 nan 0.000 0.422 273 D N 1.888 122.316 120.400 0.047 0.000 2.399 273 D HA 0.290 4.930 4.640 -0.000 0.000 0.241 273 D C 0.463 176.778 176.300 0.025 0.000 1.133 273 D CA 0.175 54.193 54.000 0.031 0.000 0.890 273 D CB 1.271 42.090 40.800 0.032 0.000 1.201 273 D HN 0.477 nan 8.370 nan 0.000 0.432 274 A N 2.881 125.707 122.820 0.009 0.000 2.346 274 A HA 0.443 4.763 4.320 -0.000 0.000 0.252 274 A C -2.151 175.441 177.584 0.013 0.000 1.089 274 A CA -0.991 51.048 52.037 0.004 0.000 0.797 274 A CB -0.262 18.729 19.000 -0.015 0.000 1.047 274 A HN 0.382 nan 8.150 nan 0.000 0.494 275 P HA 0.229 nan 4.420 nan 0.000 0.267 275 P C 0.160 177.467 177.300 0.012 0.000 1.200 275 P CA 0.446 63.559 63.100 0.021 0.000 0.772 275 P CB 0.522 32.235 31.700 0.021 0.000 0.855 276 G N 1.049 109.859 108.800 0.016 0.000 2.338 276 G HA2 0.407 4.367 3.960 -0.000 0.000 0.298 276 G HA3 0.407 4.367 3.960 -0.000 0.000 0.298 276 G C 0.997 175.901 174.900 0.007 0.000 1.140 276 G CA -0.544 44.561 45.100 0.009 0.000 0.860 276 G HN 0.598 nan 8.290 nan 0.000 0.470 277 G N 0.465 109.261 108.800 -0.007 0.000 3.155 277 G HA2 0.339 4.299 3.960 -0.000 0.000 0.213 277 G HA3 0.339 4.299 3.960 -0.000 0.000 0.213 277 G C 0.526 175.423 174.900 -0.004 0.000 1.196 277 G CA 0.899 45.996 45.100 -0.004 0.000 0.846 277 G HN 1.131 nan 8.290 nan 0.000 0.516 278 V N -4.066 115.843 119.914 -0.008 0.000 3.126 278 V HA 0.601 4.721 4.120 -0.000 0.000 0.314 278 V C -0.034 176.127 176.094 0.111 0.000 1.138 278 V CA -1.725 60.577 62.300 0.004 0.000 1.034 278 V CB 1.858 33.560 31.823 -0.202 0.000 1.075 278 V HN 0.130 nan 8.190 nan 0.000 0.442 279 E N 0.679 121.009 120.200 0.217 0.000 2.436 279 E HA 0.137 4.487 4.350 -0.000 0.000 0.262 279 E C -0.496 176.261 176.600 0.263 0.000 1.063 279 E CA -0.277 56.248 56.400 0.208 0.000 0.944 279 E CB 0.747 30.551 29.700 0.173 0.000 0.950 279 E HN 0.738 nan 8.360 nan 0.000 0.444 280 L N 4.431 125.740 121.223 0.143 0.000 2.934 280 L HA 0.117 4.457 4.340 -0.000 0.000 0.233 280 L C 0.521 177.448 176.870 0.096 0.000 1.358 280 L CA -0.489 54.426 54.840 0.126 0.000 1.233 280 L CB -0.486 41.616 42.059 0.071 0.000 1.594 280 L HN 0.380 nan 8.230 nan 0.000 0.439 281 S N -2.735 113.003 115.700 0.063 0.000 2.614 281 S HA 0.097 4.567 4.470 -0.000 0.000 0.265 281 S C 0.886 175.536 174.600 0.083 0.000 1.303 281 S CA -0.750 57.450 58.200 -0.000 0.000 1.000 281 S CB 1.429 64.537 63.200 -0.153 0.000 0.935 281 S HN 0.278 nan 8.310 nan 0.000 0.551 282 D N 1.712 122.173 120.400 0.102 0.000 2.133 282 D HA -0.105 4.535 4.640 -0.000 0.000 0.195 282 D C 1.943 178.434 176.300 0.318 0.000 0.997 282 D CA 1.979 56.125 54.000 0.243 0.000 0.840 282 D CB -1.023 39.837 40.800 0.100 0.000 0.947 282 D HN 0.730 nan 8.370 nan 0.000 0.452 283 T N -0.139 114.518 114.554 0.172 0.000 2.684 283 T HA -0.156 4.194 4.350 -0.000 0.000 0.267 283 T C 1.734 176.666 174.700 0.387 0.000 1.036 283 T CA 1.253 63.516 62.100 0.272 0.000 1.148 283 T CB -0.433 68.485 68.868 0.084 0.000 0.863 283 T HN 0.444 nan 8.240 nan 0.000 0.436 284 H N 0.342 119.527 119.070 0.191 0.000 2.357 284 H HA 0.097 4.652 4.556 -0.000 0.000 0.301 284 H C 2.769 178.164 175.328 0.112 0.000 1.082 284 H CA 0.663 56.797 56.048 0.145 0.000 1.342 284 H CB 0.150 29.976 29.762 0.107 0.000 1.389 284 H HN 0.177 nan 8.280 nan 0.000 0.511 285 R N 0.520 121.170 120.500 0.251 0.000 2.081 285 R HA -0.083 4.257 4.340 -0.000 0.000 0.235 285 R C 2.572 178.917 176.300 0.076 0.000 1.131 285 R CA 0.891 57.070 56.100 0.132 0.000 0.960 285 R CB -0.183 30.186 30.300 0.115 0.000 0.856 285 R HN 0.245 nan 8.270 nan 0.000 0.436 286 A N 1.217 124.142 122.820 0.176 0.000 1.933 286 A HA -0.118 4.202 4.320 -0.000 0.000 0.218 286 A C 2.159 179.658 177.584 -0.142 0.000 1.175 286 A CA 1.086 53.164 52.037 0.070 0.000 0.628 286 A CB -0.456 18.778 19.000 0.391 0.000 0.814 286 A HN 0.175 nan 8.150 nan 0.000 0.444 287 L N -1.068 120.115 121.223 -0.068 0.000 2.056 287 L HA -0.230 4.110 4.340 -0.000 0.000 0.207 287 L C 2.893 179.559 176.870 -0.340 0.000 1.078 287 L CA 1.810 56.494 54.840 -0.261 0.000 0.749 287 L CB -0.527 41.533 42.059 0.002 0.000 0.901 287 L HN 0.595 nan 8.230 nan 0.000 0.433 288 Q N -0.083 119.655 119.800 -0.104 0.000 2.084 288 Q HA -0.204 4.136 4.340 -0.000 0.000 0.202 288 Q C 2.314 178.264 176.000 -0.084 0.000 0.978 288 Q CA 1.208 56.984 55.803 -0.045 0.000 0.844 288 Q CB 0.144 28.881 28.738 -0.003 0.000 0.898 288 Q HN 0.372 nan 8.270 nan 0.000 0.426 289 L N 0.518 121.664 121.223 -0.128 0.000 2.141 289 L HA -0.126 4.214 4.340 -0.000 0.000 0.209 289 L C 2.195 178.986 176.870 -0.132 0.000 1.094 289 L CA 1.271 56.026 54.840 -0.141 0.000 0.763 289 L CB -0.831 41.111 42.059 -0.194 0.000 0.908 289 L HN 0.393 nan 8.230 nan 0.000 0.437 290 L N -0.817 120.273 121.223 -0.223 0.000 2.068 290 L HA -0.171 4.169 4.340 -0.000 0.000 0.204 290 L C 1.662 178.509 176.870 -0.038 0.000 1.076 290 L CA 1.148 55.868 54.840 -0.200 0.000 0.753 290 L CB -0.263 41.568 42.059 -0.380 0.000 0.910 290 L HN 0.502 nan 8.230 nan 0.000 0.439 291 H N -3.302 115.799 119.070 0.051 0.000 3.182 291 H HA 0.370 4.926 4.556 -0.000 0.000 0.254 291 H C 1.061 176.447 175.328 0.097 0.000 1.197 291 H CA -0.402 55.702 56.048 0.094 0.000 1.061 291 H CB -0.251 29.535 29.762 0.039 0.000 1.722 291 H HN 0.111 nan 8.280 nan 0.000 0.662 292 G N 0.524 109.476 108.800 0.254 0.000 2.205 292 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.269 292 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.269 292 G C 1.502 176.535 174.900 0.221 0.000 0.977 292 G CA 1.148 46.360 45.100 0.187 0.000 0.652 292 G HN 1.671 nan 8.290 nan 0.000 0.539 293 G N -1.719 107.361 108.800 0.465 0.000 2.159 293 G HA2 0.425 4.385 3.960 -0.000 0.000 0.256 293 G HA3 0.425 4.385 3.960 -0.000 0.000 0.256 293 G C 1.548 176.460 174.900 0.021 0.000 0.977 293 G CA 0.607 45.843 45.100 0.228 0.000 0.652 293 G HN 2.965 nan 8.290 nan 0.000 0.531 294 G N -2.181 106.625 108.800 0.010 0.000 2.707 294 G HA2 0.118 4.078 3.960 -0.000 0.000 0.686 294 G HA3 0.118 4.078 3.960 -0.000 0.000 0.686 294 G C 0.203 175.137 174.900 0.057 0.000 1.315 294 G CA 0.435 45.533 45.100 -0.004 0.000 0.832 294 G HN 1.548 nan 8.290 nan 0.000 0.573 295 Y N 1.223 121.511 120.300 -0.021 0.000 2.193 295 Y HA -0.177 4.372 4.550 -0.001 0.000 0.285 295 Y C 3.099 178.996 175.900 -0.004 0.000 1.166 295 Y CA 3.151 61.245 58.100 -0.010 0.000 1.181 295 Y CB -0.405 38.043 38.460 -0.020 0.000 0.976 295 Y HN 1.110 nan 8.280 nan 0.000 0.520 296 S N -1.042 114.552 115.700 -0.177 0.000 2.500 296 S HA -0.077 4.392 4.470 -0.000 0.000 0.239 296 S C 1.472 175.948 174.600 -0.206 0.000 0.989 296 S CA 0.733 58.793 58.200 -0.234 0.000 0.951 296 S CB -0.057 63.094 63.200 -0.081 0.000 0.759 296 S HN 0.288 nan 8.310 nan 0.000 0.523 297 K N 1.335 121.648 120.400 -0.145 0.000 3.934 297 K HA 0.361 4.680 4.320 -0.000 0.000 0.239 297 K C 0.550 177.101 176.600 -0.081 0.000 1.230 297 K CA 0.023 56.258 56.287 -0.088 0.000 1.588 297 K CB -0.539 31.947 32.500 -0.023 0.000 2.333 297 K HN 0.205 nan 8.250 nan 0.000 0.482 298 N N 0.473 119.163 118.700 -0.016 0.000 2.197 298 N HA 0.092 4.832 4.740 -0.000 0.000 0.228 298 N C 1.186 176.730 175.510 0.057 0.000 1.212 298 N CA 0.201 53.256 53.050 0.008 0.000 0.883 298 N CB 1.110 39.609 38.487 0.021 0.000 1.107 298 N HN 0.389 nan 8.380 nan 0.000 0.519 299 G N 0.659 109.507 108.800 0.080 0.000 2.501 299 G HA2 -0.145 3.815 3.960 -0.000 0.000 0.220 299 G HA3 -0.145 3.815 3.960 -0.000 0.000 0.220 299 G C 1.286 176.290 174.900 0.173 0.000 1.114 299 G CA 0.999 46.187 45.100 0.146 0.000 0.757 299 G HN 0.338 nan 8.290 nan 0.000 0.559 300 A N -0.026 122.893 122.820 0.165 0.000 2.252 300 A HA 0.256 4.576 4.320 -0.000 0.000 0.213 300 A C 1.407 179.076 177.584 0.142 0.000 1.188 300 A CA 0.044 52.197 52.037 0.193 0.000 0.863 300 A CB -0.004 19.195 19.000 0.330 0.000 0.893 300 A HN 0.257 nan 8.150 nan 0.000 0.495 301 N N 1.403 120.151 118.700 0.081 0.000 3.091 301 N HA 0.103 4.843 4.740 -0.000 0.000 0.301 301 N C -0.220 175.349 175.510 0.097 0.000 1.325 301 N CA 0.151 53.222 53.050 0.035 0.000 1.143 301 N CB -0.229 38.261 38.487 0.006 0.000 1.450 301 N HN 0.269 nan 8.380 nan 0.000 0.542 302 R N -0.421 120.190 120.500 0.185 0.000 2.766 302 R HA 0.365 4.705 4.340 -0.000 0.000 0.270 302 R C -1.505 174.947 176.300 0.254 0.000 1.035 302 R CA -0.653 55.501 56.100 0.090 0.000 0.911 302 R CB 1.195 31.309 30.300 -0.311 0.000 1.243 302 R HN 0.221 nan 8.270 nan 0.000 0.460 303 W N 2.021 123.247 121.300 -0.123 0.000 2.527 303 W HA 0.208 4.868 4.660 0.000 0.000 0.293 303 W C -0.742 175.693 176.519 -0.139 0.000 1.036 303 W CA -0.557 56.744 57.345 -0.074 0.000 1.233 303 W CB 0.454 29.906 29.460 -0.013 0.000 1.116 303 W HN 0.684 nan 8.180 nan 0.000 0.335 304 Y N 1.541 121.740 120.300 -0.168 0.000 2.293 304 Y HA -0.191 4.359 4.550 -0.000 0.000 0.291 304 Y C 2.083 177.947 175.900 -0.060 0.000 1.137 304 Y CA 1.691 59.730 58.100 -0.101 0.000 1.202 304 Y CB -0.007 38.343 38.460 -0.184 0.000 0.990 304 Y HN 0.161 nan 8.280 nan 0.000 0.537 305 D N 0.305 120.743 120.400 0.063 0.000 2.182 305 D HA -0.131 4.509 4.640 -0.000 0.000 0.201 305 D C 0.956 177.156 176.300 -0.166 0.000 0.986 305 D CA 1.130 55.043 54.000 -0.145 0.000 0.847 305 D CB -0.225 40.305 40.800 -0.450 0.000 0.942 305 D HN 0.045 nan 8.370 nan 0.000 0.467 306 K N 0.663 121.189 120.400 0.210 0.000 2.322 306 K HA 0.131 4.450 4.320 -0.000 0.000 0.283 306 K C 1.031 177.704 176.600 0.122 0.000 1.042 306 K CA -0.006 56.435 56.287 0.258 0.000 0.958 306 K CB 0.857 33.573 32.500 0.359 0.000 0.984 306 K HN -0.278 nan 8.250 nan 0.000 0.473 307 S N 3.062 118.830 115.700 0.114 0.000 2.359 307 S HA -0.117 4.352 4.470 -0.000 0.000 0.223 307 S C 0.474 175.106 174.600 0.054 0.000 1.039 307 S CA 1.108 59.349 58.200 0.069 0.000 1.042 307 S CB -0.297 63.020 63.200 0.196 0.000 0.915 307 S HN 0.523 nan 8.310 nan 0.000 0.439 308 L N 1.463 122.732 121.223 0.077 0.000 2.325 308 L HA 0.457 4.796 4.340 -0.000 0.000 0.281 308 L C -0.598 176.203 176.870 -0.115 0.000 1.004 308 L CA -0.287 54.497 54.840 -0.094 0.000 0.823 308 L CB 1.554 43.548 42.059 -0.108 0.000 1.236 308 L HN 0.117 nan 8.230 nan 0.000 0.415 309 Q N 3.729 123.385 119.800 -0.240 0.000 2.401 309 Q HA 0.426 4.765 4.340 -0.000 0.000 0.260 309 Q C -1.343 174.538 176.000 -0.200 0.000 1.034 309 Q CA -0.426 55.311 55.803 -0.109 0.000 0.737 309 Q CB 1.736 30.417 28.738 -0.095 0.000 1.227 309 Q HN 0.397 nan 8.270 nan 0.000 0.488 310 F N 1.477 121.489 119.950 0.103 0.000 2.445 310 F HA 0.243 4.770 4.527 -0.000 0.000 0.359 310 F C 0.312 176.161 175.800 0.083 0.000 1.101 310 F CA -0.670 57.394 58.000 0.107 0.000 1.177 310 F CB 0.803 39.917 39.000 0.190 0.000 1.110 310 F HN 0.141 nan 8.300 nan 0.000 0.522 311 V N 4.824 124.828 119.914 0.149 0.000 2.427 311 V HA 0.390 4.510 4.120 -0.000 0.000 0.286 311 V C -0.286 175.903 176.094 0.158 0.000 1.034 311 V CA -0.691 61.669 62.300 0.100 0.000 0.893 311 V CB 1.628 33.443 31.823 -0.015 0.000 0.982 311 V HN 0.476 nan 8.190 nan 0.000 0.452 312 V N 4.614 124.638 119.914 0.182 0.000 2.380 312 V HA 0.480 4.600 4.120 -0.000 0.000 0.268 312 V C 0.741 176.937 176.094 0.170 0.000 1.008 312 V CA -0.460 61.976 62.300 0.226 0.000 0.823 312 V CB 1.276 33.281 31.823 0.303 0.000 1.053 312 V HN 0.951 nan 8.190 nan 0.000 0.446 313 G N 2.054 110.940 108.800 0.144 0.000 2.442 313 G HA2 0.311 4.270 3.960 -0.000 0.000 0.249 313 G HA3 0.311 4.270 3.960 -0.000 0.000 0.249 313 G C 0.772 175.801 174.900 0.215 0.000 1.263 313 G CA -0.301 44.874 45.100 0.124 0.000 0.846 313 G HN 0.689 nan 8.290 nan 0.000 0.555 314 R N 0.959 121.546 120.500 0.144 0.000 2.127 314 R HA -0.147 4.193 4.340 -0.000 0.000 0.238 314 R C 1.778 178.213 176.300 0.225 0.000 1.134 314 R CA 2.268 58.465 56.100 0.161 0.000 0.975 314 R CB -0.160 30.182 30.300 0.070 0.000 0.865 314 R HN 0.634 nan 8.270 nan 0.000 0.447 315 D N -2.093 118.381 120.400 0.125 0.000 2.340 315 D HA 0.135 4.775 4.640 -0.000 0.000 0.220 315 D C 1.003 177.268 176.300 -0.058 0.000 1.039 315 D CA 0.735 54.768 54.000 0.054 0.000 0.866 315 D CB 0.056 40.876 40.800 0.034 0.000 0.913 315 D HN 0.384 nan 8.370 nan 0.000 0.523 316 G N -0.808 107.908 108.800 -0.141 0.000 2.184 316 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.206 316 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.206 316 G C 0.216 174.925 174.900 -0.317 0.000 0.995 316 G CA 0.032 44.797 45.100 -0.559 0.000 0.651 316 G HN 0.370 nan 8.290 nan 0.000 0.511 317 T N 1.441 115.922 114.554 -0.123 0.000 2.723 317 T HA 0.515 4.865 4.350 -0.000 0.000 0.297 317 T C 0.178 174.836 174.700 -0.071 0.000 0.925 317 T CA 0.346 62.400 62.100 -0.077 0.000 1.030 317 T CB 0.843 69.695 68.868 -0.025 0.000 0.905 317 T HN 0.468 nan 8.240 nan 0.000 0.502 318 C N 2.726 121.966 119.300 -0.100 0.000 2.779 318 C HA 1.050 5.510 4.460 -0.000 0.000 0.314 318 C C 0.921 175.672 174.990 -0.398 0.000 1.231 318 C CA -0.517 58.452 59.018 -0.081 0.000 1.652 318 C CB 1.346 29.138 27.740 0.086 0.000 2.198 318 C HN 1.147 nan 8.230 nan 0.000 0.483 319 G N -0.371 107.995 108.800 -0.723 0.000 2.333 319 G HA2 0.484 4.443 3.960 -0.000 0.000 0.288 319 G HA3 0.484 4.443 3.960 -0.000 0.000 0.288 319 G C -2.067 172.376 174.900 -0.761 0.000 1.286 319 G CA 0.250 44.450 45.100 -1.500 0.000 0.865 319 G HN 1.401 nan 8.290 nan 0.000 0.506 320 V N -0.333 119.239 119.914 -0.571 0.000 2.760 320 V HA 0.714 4.833 4.120 -0.000 0.000 0.309 320 V C -0.801 175.123 176.094 -0.283 0.000 1.077 320 V CA -0.662 61.414 62.300 -0.373 0.000 0.910 320 V CB 1.767 33.333 31.823 -0.428 0.000 1.008 320 V HN 1.012 nan 8.190 nan 0.000 0.424 321 V N 5.914 125.681 119.914 -0.245 0.000 2.407 321 V HA 0.455 4.575 4.120 -0.000 0.000 0.278 321 V C 0.150 176.152 176.094 -0.153 0.000 1.037 321 V CA -0.373 61.833 62.300 -0.157 0.000 0.900 321 V CB 1.252 32.999 31.823 -0.126 0.000 0.983 321 V HN 1.024 nan 8.190 nan 0.000 0.459 322 C N 5.319 124.550 119.300 -0.115 0.000 2.345 322 C HA 0.477 4.937 4.460 -0.000 0.000 0.323 322 C C 0.066 174.954 174.990 -0.171 0.000 1.276 322 C CA -0.625 58.308 59.018 -0.142 0.000 1.543 322 C CB 0.664 28.317 27.740 -0.147 0.000 2.211 322 C HN 0.951 nan 8.230 nan 0.000 0.493 323 E N 3.335 123.419 120.200 -0.194 0.000 2.290 323 E HA 0.070 4.420 4.350 -0.000 0.000 0.277 323 E C 0.640 176.976 176.600 -0.439 0.000 1.035 323 E CA 0.255 56.529 56.400 -0.210 0.000 0.873 323 E CB 0.425 30.036 29.700 -0.147 0.000 1.029 323 E HN 0.892 nan 8.360 nan 0.000 0.419 324 H N 2.872 121.646 119.070 -0.493 0.000 2.470 324 H HA -0.071 4.485 4.556 -0.000 0.000 0.289 324 H C 1.918 176.699 175.328 -0.911 0.000 1.033 324 H CA 1.512 57.134 56.048 -0.711 0.000 1.331 324 H CB 0.403 29.746 29.762 -0.698 0.000 1.414 324 H HN 0.528 nan 8.280 nan 0.000 0.545 325 S N 0.475 115.785 115.700 -0.650 0.000 2.370 325 S HA -0.080 4.390 4.470 -0.000 0.000 0.226 325 S C -0.631 173.852 174.600 -0.196 0.000 1.033 325 S CA 1.046 58.959 58.200 -0.477 0.000 1.011 325 S CB -1.101 61.945 63.200 -0.257 0.000 0.852 325 S HN 0.324 nan 8.310 nan 0.000 0.457 326 P HA 0.220 nan 4.420 nan 0.000 0.218 326 P C 0.280 177.634 177.300 0.091 0.000 1.152 326 P CA 0.709 63.786 63.100 -0.039 0.000 0.826 326 P CB -0.097 31.627 31.700 0.040 0.000 0.790 327 F N -3.922 116.017 119.950 -0.019 0.000 2.741 327 F HA 0.575 5.102 4.527 -0.000 0.000 0.313 327 F C -0.968 174.816 175.800 -0.026 0.000 1.153 327 F CA -1.482 56.498 58.000 -0.034 0.000 0.931 327 F CB 0.440 39.358 39.000 -0.135 0.000 1.335 327 F HN -0.380 nan 8.300 nan 0.000 0.460 328 D N 0.051 120.572 120.400 0.202 0.000 2.487 328 D HA 0.324 4.964 4.640 -0.000 0.000 0.262 328 D C 1.139 177.498 176.300 0.099 0.000 1.130 328 D CA -0.089 54.002 54.000 0.153 0.000 1.038 328 D CB 1.351 42.292 40.800 0.235 0.000 1.142 328 D HN 0.872 nan 8.370 nan 0.000 0.575 329 G N 0.317 109.157 108.800 0.067 0.000 2.469 329 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.219 329 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.219 329 G C 1.476 176.412 174.900 0.059 0.000 1.150 329 G CA 0.543 45.681 45.100 0.062 0.000 0.763 329 G HN 0.380 nan 8.290 nan 0.000 0.561 330 I N 0.789 121.391 120.570 0.053 0.000 2.127 330 I HA -0.140 4.029 4.170 -0.000 0.000 0.241 330 I C 3.004 179.113 176.117 -0.013 0.000 1.075 330 I CA 0.852 62.172 61.300 0.033 0.000 1.334 330 I CB -1.305 36.718 38.000 0.037 0.000 1.040 330 I HN 0.053 nan 8.210 nan 0.000 0.405 331 V N 0.941 120.794 119.914 -0.102 0.000 2.343 331 V HA -0.253 3.867 4.120 -0.000 0.000 0.247 331 V C 2.574 178.514 176.094 -0.256 0.000 1.051 331 V CA 1.474 63.563 62.300 -0.351 0.000 1.036 331 V CB -0.707 30.738 31.823 -0.631 0.000 0.654 331 V HN 0.350 nan 8.190 nan 0.000 0.451 332 L N 0.056 121.219 121.223 -0.100 0.000 2.042 332 L HA -0.134 4.206 4.340 -0.000 0.000 0.210 332 L C 2.332 179.194 176.870 -0.015 0.000 1.076 332 L CA 1.994 56.810 54.840 -0.040 0.000 0.749 332 L CB -0.631 41.508 42.059 0.134 0.000 0.893 332 L HN 0.119 nan 8.230 nan 0.000 0.432 333 V N -0.285 119.642 119.914 0.021 0.000 2.358 333 V HA -0.241 3.879 4.120 -0.000 0.000 0.246 333 V C 2.712 178.832 176.094 0.044 0.000 1.047 333 V CA 1.612 63.941 62.300 0.048 0.000 1.035 333 V CB -0.626 31.233 31.823 0.061 0.000 0.658 333 V HN 0.536 nan 8.190 nan 0.000 0.452 334 Q N -0.878 118.957 119.800 0.057 0.000 2.061 334 Q HA -0.249 4.091 4.340 -0.000 0.000 0.204 334 Q C 2.474 178.518 176.000 0.073 0.000 0.984 334 Q CA 2.176 58.054 55.803 0.125 0.000 0.846 334 Q CB -1.233 27.656 28.738 0.253 0.000 0.902 334 Q HN 0.742 nan 8.270 nan 0.000 0.421 335 C N 0.292 119.564 119.300 -0.045 0.000 2.442 335 C HA -0.163 4.297 4.460 -0.000 0.000 0.279 335 C C 3.004 177.824 174.990 -0.283 0.000 1.237 335 C CA 1.893 60.663 59.018 -0.414 0.000 1.722 335 C CB -1.102 26.417 27.740 -0.368 0.000 2.056 335 C HN 0.636 nan 8.230 nan 0.000 0.469 336 T N -0.397 114.119 114.554 -0.063 0.000 2.699 336 T HA -0.217 4.133 4.350 -0.000 0.000 0.268 336 T C 1.719 176.392 174.700 -0.046 0.000 1.036 336 T CA 2.311 64.436 62.100 0.043 0.000 1.147 336 T CB -0.527 68.453 68.868 0.187 0.000 0.862 336 T HN 0.776 nan 8.240 nan 0.000 0.446 337 E N -0.830 119.361 120.200 -0.016 0.000 2.152 337 E HA -0.135 4.215 4.350 -0.000 0.000 0.192 337 E C 2.115 178.705 176.600 -0.017 0.000 0.983 337 E CA 0.752 57.138 56.400 -0.024 0.000 0.818 337 E CB -0.195 29.516 29.700 0.018 0.000 0.758 337 E HN 0.605 nan 8.360 nan 0.000 0.467 338 H N 1.307 120.325 119.070 -0.086 0.000 2.326 338 H HA -0.068 4.487 4.556 -0.000 0.000 0.301 338 H C 2.102 177.394 175.328 -0.060 0.000 1.081 338 H CA 1.169 57.195 56.048 -0.038 0.000 1.334 338 H CB -0.076 29.688 29.762 0.003 0.000 1.385 338 H HN 0.124 nan 8.280 nan 0.000 0.504 339 L N 0.341 121.590 121.223 0.043 0.000 1.989 339 L HA -0.228 4.112 4.340 -0.000 0.000 0.211 339 L C 3.058 179.866 176.870 -0.103 0.000 1.071 339 L CA 1.158 55.974 54.840 -0.041 0.000 0.749 339 L CB -0.683 41.287 42.059 -0.148 0.000 0.890 339 L HN 0.216 nan 8.230 nan 0.000 0.431 340 L N -0.088 121.026 121.223 -0.181 0.000 2.042 340 L HA -0.253 4.086 4.340 -0.000 0.000 0.210 340 L C 2.744 179.536 176.870 -0.128 0.000 1.076 340 L CA 1.503 56.214 54.840 -0.215 0.000 0.749 340 L CB -0.532 41.358 42.059 -0.282 0.000 0.893 340 L HN 0.302 nan 8.230 nan 0.000 0.432 341 K N -0.874 119.458 120.400 -0.114 0.000 2.097 341 K HA -0.233 4.086 4.320 -0.000 0.000 0.205 341 K C 2.346 178.879 176.600 -0.112 0.000 1.050 341 K CA 1.040 57.259 56.287 -0.113 0.000 0.938 341 K CB -0.148 32.270 32.500 -0.137 0.000 0.718 341 K HN 0.328 nan 8.250 nan 0.000 0.442 342 H N 0.604 119.549 119.070 -0.208 0.000 2.421 342 H HA -0.053 4.503 4.556 -0.001 0.000 0.298 342 H C 1.640 176.888 175.328 -0.132 0.000 1.087 342 H CA 1.620 57.569 56.048 -0.166 0.000 1.330 342 H CB 0.065 29.761 29.762 -0.110 0.000 1.388 342 H HN 0.248 nan 8.280 nan 0.000 0.526 343 M N -0.200 119.410 119.600 0.016 0.000 2.549 343 M HA -0.092 4.387 4.480 -0.000 0.000 0.260 343 M C 1.920 178.159 176.300 -0.102 0.000 1.076 343 M CA 1.125 56.389 55.300 -0.060 0.000 1.090 343 M CB 0.184 32.685 32.600 -0.166 0.000 1.418 343 M HN 0.138 nan 8.290 nan 0.000 0.486 344 T N -0.244 114.244 114.554 -0.109 0.000 2.894 344 T HA -0.012 4.338 4.350 -0.000 0.000 0.258 344 T C 0.601 175.228 174.700 -0.121 0.000 1.043 344 T CA 0.537 62.581 62.100 -0.093 0.000 1.141 344 T CB 0.003 68.824 68.868 -0.079 0.000 0.873 344 T HN 0.430 nan 8.240 nan 0.000 0.449 345 Q N 2.131 121.821 119.800 -0.184 0.000 2.300 345 Q HA 0.167 4.507 4.340 -0.000 0.000 0.280 345 Q C -2.208 173.673 176.000 -0.199 0.000 1.033 345 Q CA -1.325 54.357 55.803 -0.202 0.000 0.903 345 Q CB 0.115 28.686 28.738 -0.278 0.000 1.195 345 Q HN 0.227 nan 8.270 nan 0.000 0.386 350 L N 1.219 122.413 121.223 -0.049 0.000 2.435 350 L HA 0.078 4.418 4.340 -0.000 0.000 0.258 350 L C 1.325 178.182 176.870 -0.021 0.000 1.257 350 L CA -0.022 54.801 54.840 -0.028 0.000 0.823 350 L CB -0.168 41.896 42.059 0.008 0.000 1.111 350 L HN 0.426 nan 8.230 nan 0.000 0.543 351 V N -0.800 119.105 119.914 -0.013 0.000 2.450 351 V HA -0.008 4.112 4.120 -0.000 0.000 0.222 351 V C 0.774 176.864 176.094 -0.006 0.000 1.102 351 V CA 0.115 62.407 62.300 -0.012 0.000 1.102 351 V CB -0.397 31.419 31.823 -0.011 0.000 0.715 351 V HN 0.685 nan 8.190 nan 0.000 0.491 352 R N 1.924 122.423 120.500 -0.001 0.000 2.560 352 R HA -0.048 4.292 4.340 -0.000 0.000 0.296 352 R C 0.554 176.856 176.300 0.003 0.000 0.873 352 R CA 0.903 57.005 56.100 0.002 0.000 1.140 352 R CB -0.330 29.974 30.300 0.006 0.000 0.875 352 R HN 0.772 nan 8.270 nan 0.000 0.419 353 S N -0.003 115.698 115.700 0.003 0.000 2.631 353 S HA 0.112 4.581 4.470 -0.000 0.000 0.248 353 S C -2.373 172.231 174.600 0.007 0.000 0.949 353 S CA -0.697 57.506 58.200 0.004 0.000 1.470 353 S CB 0.305 63.505 63.200 -0.000 0.000 1.248 353 S HN 0.483 nan 8.310 nan 0.000 0.662 354 P HA 0.642 nan 4.420 nan 0.000 0.296 354 P C -0.924 176.381 177.300 0.008 0.000 1.306 354 P CA -0.168 62.936 63.100 0.006 0.000 0.818 354 P CB 1.446 33.148 31.700 0.003 0.000 0.969 355 M N 2.838 122.444 119.600 0.009 0.000 2.534 355 M HA 0.255 4.734 4.480 -0.000 0.000 0.280 355 M C -0.801 175.505 176.300 0.009 0.000 1.217 355 M CA -0.631 54.675 55.300 0.010 0.000 0.893 355 M CB 2.275 34.882 32.600 0.011 0.000 1.730 355 M HN 0.028 nan 8.290 nan 0.000 0.483 356 V N 0.492 120.410 119.914 0.007 0.000 3.945 356 V HA 0.380 4.500 4.120 -0.000 0.000 0.196 356 V C -1.911 174.186 176.094 0.005 0.000 1.110 356 V CA 0.011 62.314 62.300 0.006 0.000 1.411 356 V CB -0.765 31.061 31.823 0.004 0.000 1.707 356 V HN 0.792 nan 8.190 nan 0.000 0.477 360 P HA 0.390 nan 4.420 nan 0.000 0.267 360 P C -0.506 176.791 177.300 -0.005 0.000 1.200 360 P CA -0.081 63.016 63.100 -0.005 0.000 0.772 360 P CB 0.740 32.437 31.700 -0.006 0.000 0.855 361 A N 4.639 127.457 122.820 -0.003 0.000 2.425 361 A HA 0.401 4.721 4.320 -0.000 0.000 0.249 361 A C -2.054 175.542 177.584 0.019 0.000 1.084 361 A CA -1.123 50.913 52.037 -0.001 0.000 0.781 361 A CB -1.002 17.999 19.000 0.002 0.000 1.019 361 A HN 0.417 nan 8.150 nan 0.000 0.490 362 P HA 0.182 nan 4.420 nan 0.000 0.266 362 P C -0.535 176.862 177.300 0.161 0.000 1.195 362 P CA 0.261 63.408 63.100 0.079 0.000 0.768 362 P CB 0.412 32.146 31.700 0.057 0.000 0.838 363 R N 2.276 122.852 120.500 0.126 0.000 2.254 363 R HA 0.327 4.667 4.340 -0.000 0.000 0.318 363 R C 0.581 176.912 176.300 0.053 0.000 1.031 363 R CA -0.653 55.493 56.100 0.076 0.000 0.905 363 R CB 0.912 31.196 30.300 -0.027 0.000 1.050 363 R HN 0.417 nan 8.270 nan 0.000 0.456 364 R N 3.753 124.212 120.500 -0.069 0.000 2.390 364 R HA 0.165 4.504 4.340 -0.000 0.000 0.291 364 R C -0.573 175.490 176.300 -0.395 0.000 1.070 364 R CA -0.377 55.383 56.100 -0.566 0.000 1.014 364 R CB 0.568 30.507 30.300 -0.601 0.000 1.007 364 R HN 0.535 nan 8.270 nan 0.000 0.466 365 L N 5.806 126.769 121.223 -0.434 0.000 2.313 365 L HA 0.268 4.608 4.340 -0.000 0.000 0.282 365 L C 0.605 177.112 176.870 -0.605 0.000 1.092 365 L CA -0.408 54.149 54.840 -0.471 0.000 0.831 365 L CB 0.680 42.460 42.059 -0.465 0.000 1.159 365 L HN 0.486 nan 8.230 nan 0.000 0.442 366 R N 2.732 122.895 120.500 -0.561 0.000 2.528 366 R HA 0.388 4.728 4.340 -0.000 0.000 0.271 366 R C -1.178 174.749 176.300 -0.621 0.000 1.056 366 R CA -0.292 55.550 56.100 -0.430 0.000 1.117 366 R CB 1.070 31.240 30.300 -0.217 0.000 1.085 366 R HN 0.475 nan 8.270 nan 0.000 0.530 367 W N 0.340 121.657 121.300 0.030 0.000 3.022 367 W HA 0.298 4.958 4.660 0.001 0.000 0.335 367 W C -0.001 176.547 176.519 0.048 0.000 1.133 367 W CA -0.881 56.498 57.345 0.056 0.000 1.219 367 W CB 1.333 30.851 29.460 0.096 0.000 1.409 367 W HN 0.192 nan 8.180 nan 0.000 0.507 368 K N 3.124 123.707 120.400 0.305 0.000 2.296 368 K HA 0.395 4.715 4.320 -0.000 0.000 0.257 368 K C -0.228 176.482 176.600 0.182 0.000 1.088 368 K CA -0.298 56.100 56.287 0.185 0.000 0.980 368 K CB -0.074 32.503 32.500 0.128 0.000 1.430 368 K HN 0.602 nan 8.250 nan 0.000 0.441 369 C N 2.932 122.329 119.300 0.162 0.000 2.711 369 C HA 0.746 5.206 4.460 -0.000 0.000 0.306 369 C C -0.034 175.010 174.990 0.091 0.000 1.479 369 C CA 0.601 59.692 59.018 0.121 0.000 2.271 369 C CB -0.249 27.552 27.740 0.101 0.000 2.155 369 C HN 1.056 nan 8.230 nan 0.000 0.674 370 S N -0.022 115.721 115.700 0.073 0.000 2.645 370 S HA 0.349 4.819 4.470 -0.000 0.000 0.268 370 S C -2.573 172.052 174.600 0.042 0.000 1.110 370 S CA -0.693 57.541 58.200 0.057 0.000 0.823 370 S CB 0.755 63.993 63.200 0.064 0.000 1.091 370 S HN 0.381 nan 8.310 nan 0.000 0.466 371 P HA -0.075 nan 4.420 nan 0.000 0.216 371 P C 1.255 178.553 177.300 -0.004 0.000 1.153 371 P CA 1.616 64.720 63.100 0.007 0.000 0.858 371 P CB 0.004 31.705 31.700 0.002 0.000 0.789 372 E N -0.672 119.537 120.200 0.015 0.000 2.012 372 E HA -0.177 4.173 4.350 -0.000 0.000 0.197 372 E C 1.985 178.619 176.600 0.056 0.000 1.007 372 E CA 1.088 57.494 56.400 0.010 0.000 0.816 372 E CB -0.612 29.144 29.700 0.093 0.000 0.762 372 E HN 0.103 nan 8.360 nan 0.000 0.451 373 I N 1.235 121.893 120.570 0.148 0.000 2.194 373 I HA -0.287 3.883 4.170 -0.000 0.000 0.246 373 I C 2.497 178.660 176.117 0.077 0.000 1.093 373 I CA 1.474 62.877 61.300 0.171 0.000 1.355 373 I CB -1.143 36.921 38.000 0.106 0.000 1.046 373 I HN 0.170 nan 8.210 nan 0.000 0.413 374 Q N 0.902 120.714 119.800 0.020 0.000 2.124 374 Q HA -0.105 4.235 4.340 -0.000 0.000 0.202 374 Q C 2.245 178.213 176.000 -0.053 0.000 0.977 374 Q CA 1.897 57.688 55.803 -0.020 0.000 0.850 374 Q CB -0.720 28.007 28.738 -0.018 0.000 0.901 374 Q HN 0.523 nan 8.270 nan 0.000 0.429 375 G N -0.868 107.878 108.800 -0.090 0.000 2.408 375 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.217 375 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.217 375 G C 1.219 176.017 174.900 -0.171 0.000 1.150 375 G CA 0.774 45.779 45.100 -0.159 0.000 0.776 375 G HN 0.405 nan 8.290 nan 0.000 0.542 376 H N 0.297 119.347 119.070 -0.033 0.000 2.389 376 H HA 0.095 4.651 4.556 -0.000 0.000 0.299 376 H C 2.731 178.015 175.328 -0.074 0.000 1.081 376 H CA 0.812 56.840 56.048 -0.033 0.000 1.345 376 H CB -0.165 29.597 29.762 0.000 0.000 1.393 376 H HN 0.261 nan 8.280 nan 0.000 0.520 377 L N 0.151 121.384 121.223 0.017 0.000 2.017 377 L HA -0.153 4.187 4.340 -0.000 0.000 0.208 377 L C 2.917 179.701 176.870 -0.143 0.000 1.073 377 L CA 1.040 55.822 54.840 -0.097 0.000 0.745 377 L CB -0.509 41.474 42.059 -0.126 0.000 0.894 377 L HN 0.198 nan 8.230 nan 0.000 0.432 378 A N -0.739 122.010 122.820 -0.118 0.000 1.902 378 A HA -0.212 4.108 4.320 -0.000 0.000 0.217 378 A C 2.511 180.039 177.584 -0.093 0.000 1.181 378 A CA 2.188 54.155 52.037 -0.117 0.000 0.623 378 A CB -0.672 18.274 19.000 -0.090 0.000 0.818 378 A HN 0.373 nan 8.150 nan 0.000 0.443 379 S N 0.079 115.738 115.700 -0.068 0.000 2.356 379 S HA -0.125 4.344 4.470 -0.000 0.000 0.223 379 S C 2.319 176.887 174.600 -0.053 0.000 1.032 379 S CA 1.534 59.705 58.200 -0.047 0.000 1.005 379 S CB -0.340 62.850 63.200 -0.017 0.000 0.867 379 S HN 0.652 nan 8.310 nan 0.000 0.449 380 S N 1.676 117.340 115.700 -0.060 0.000 2.382 380 S HA -0.067 4.403 4.470 -0.000 0.000 0.228 380 S C 2.220 176.761 174.600 -0.100 0.000 1.027 380 S CA 0.976 59.124 58.200 -0.088 0.000 0.991 380 S CB -0.502 62.625 63.200 -0.120 0.000 0.823 380 S HN 0.603 nan 8.310 nan 0.000 0.469 381 A N 1.520 124.267 122.820 -0.123 0.000 1.902 381 A HA -0.149 4.171 4.320 -0.000 0.000 0.217 381 A C 2.069 179.620 177.584 -0.054 0.000 1.181 381 A CA 1.925 53.898 52.037 -0.106 0.000 0.623 381 A CB -0.573 18.308 19.000 -0.198 0.000 0.818 381 A HN 0.492 nan 8.150 nan 0.000 0.443 382 E N 0.248 120.412 120.200 -0.060 0.000 2.072 382 E HA -0.143 4.207 4.350 -0.000 0.000 0.190 382 E C 1.840 178.410 176.600 -0.050 0.000 0.982 382 E CA 1.463 57.836 56.400 -0.045 0.000 0.803 382 E CB -0.143 29.530 29.700 -0.044 0.000 0.755 382 E HN 0.355 nan 8.360 nan 0.000 0.453 383 K N 0.285 120.650 120.400 -0.059 0.000 2.026 383 K HA -0.103 4.216 4.320 -0.000 0.000 0.208 383 K C 2.164 178.719 176.600 -0.076 0.000 1.048 383 K CA 1.103 57.350 56.287 -0.066 0.000 0.929 383 K CB -0.794 31.665 32.500 -0.069 0.000 0.713 383 K HN 0.257 nan 8.250 nan 0.000 0.439 384 L N 1.694 122.870 121.223 -0.077 0.000 2.141 384 L HA -0.152 4.188 4.340 -0.000 0.000 0.209 384 L C 2.354 179.173 176.870 -0.085 0.000 1.094 384 L CA 1.686 56.476 54.840 -0.083 0.000 0.763 384 L CB -0.491 41.531 42.059 -0.061 0.000 0.908 384 L HN 0.085 nan 8.230 nan 0.000 0.437 385 Q N -0.139 119.625 119.800 -0.061 0.000 2.124 385 Q HA -0.168 4.172 4.340 -0.000 0.000 0.202 385 Q C 2.320 178.284 176.000 -0.061 0.000 0.977 385 Q CA 1.671 57.438 55.803 -0.059 0.000 0.850 385 Q CB -0.079 28.642 28.738 -0.029 0.000 0.901 385 Q HN 0.475 nan 8.270 nan 0.000 0.429 386 R N -0.591 119.877 120.500 -0.054 0.000 2.092 386 R HA -0.041 4.299 4.340 -0.000 0.000 0.231 386 R C 2.241 178.519 176.300 -0.037 0.000 1.119 386 R CA 1.399 57.472 56.100 -0.044 0.000 0.970 386 R CB -0.311 29.955 30.300 -0.056 0.000 0.864 386 R HN 0.322 nan 8.270 nan 0.000 0.440 387 I N 0.162 120.699 120.570 -0.055 0.000 2.202 387 I HA -0.244 3.926 4.170 -0.000 0.000 0.242 387 I C 2.188 178.299 176.117 -0.010 0.000 1.091 387 I CA 1.102 62.391 61.300 -0.019 0.000 1.368 387 I CB -0.215 37.766 38.000 -0.032 0.000 1.058 387 I HN -0.028 nan 8.210 nan 0.000 0.410 388 V N 1.021 120.831 119.914 -0.174 0.000 2.332 388 V HA -0.299 3.820 4.120 -0.000 0.000 0.248 388 V C 2.339 178.413 176.094 -0.033 0.000 1.055 388 V CA 1.896 63.985 62.300 -0.351 0.000 1.038 388 V CB -0.696 30.838 31.823 -0.482 0.000 0.651 388 V HN 0.402 nan 8.190 nan 0.000 0.450 389 K N -0.176 120.229 120.400 0.008 0.000 2.217 389 K HA -0.091 4.228 4.320 -0.000 0.000 0.202 389 K C 2.017 178.743 176.600 0.209 0.000 1.051 389 K CA 1.159 57.496 56.287 0.084 0.000 0.952 389 K CB -0.239 32.280 32.500 0.031 0.000 0.736 389 K HN 0.516 nan 8.250 nan 0.000 0.453 390 N N 0.823 119.637 118.700 0.190 0.000 2.409 390 N HA -0.073 4.667 4.740 -0.000 0.000 0.179 390 N C -0.011 175.703 175.510 0.339 0.000 1.032 390 N CA -0.105 53.105 53.050 0.268 0.000 0.898 390 N CB 0.237 38.810 38.487 0.144 0.000 0.971 390 N HN -0.022 nan 8.380 nan 0.000 0.441 391 L N 2.063 123.464 121.223 0.297 0.000 2.418 391 L HA 0.112 4.452 4.340 -0.000 0.000 0.274 391 L C -0.820 176.068 176.870 0.029 0.000 1.135 391 L CA 0.300 55.263 54.840 0.205 0.000 0.870 391 L CB 0.757 42.974 42.059 0.264 0.000 1.154 391 L HN -0.044 nan 8.230 nan 0.000 0.462 392 D N 5.006 125.250 120.400 -0.258 0.000 2.454 392 D HA 0.251 4.891 4.640 -0.000 0.000 0.225 392 D C -1.444 174.872 176.300 0.026 0.000 1.081 392 D CA -0.055 53.712 54.000 -0.387 0.000 0.864 392 D CB 0.173 40.519 40.800 -0.756 0.000 1.040 392 D HN 0.323 nan 8.370 nan 0.000 0.517 393 F N 4.213 124.163 119.950 -0.001 0.000 2.563 393 F HA 0.664 5.190 4.527 -0.000 0.000 0.316 393 F C -1.505 174.342 175.800 0.079 0.000 1.076 393 F CA -1.079 56.946 58.000 0.041 0.000 0.921 393 F CB 1.293 40.328 39.000 0.058 0.000 1.209 393 F HN 0.295 nan 8.300 nan 0.000 0.462 394 I N 5.095 125.112 120.570 -0.922 0.000 2.775 394 I HA 0.481 4.651 4.170 -0.000 0.000 0.295 394 I C -1.814 173.830 176.117 -0.788 0.000 1.287 394 I CA -0.794 60.130 61.300 -0.627 0.000 1.029 394 I CB 2.162 40.030 38.000 -0.221 0.000 1.282 394 I HN 0.340 nan 8.210 nan 0.000 0.426 395 V N 7.400 127.040 119.914 -0.455 0.000 2.311 395 V HA 0.268 4.387 4.120 -0.000 0.000 0.275 395 V C -0.958 175.071 176.094 -0.109 0.000 1.022 395 V CA -0.444 61.659 62.300 -0.328 0.000 0.830 395 V CB 0.864 32.482 31.823 -0.342 0.000 1.012 395 V HN 0.521 nan 8.190 nan 0.000 0.452 396 Y N 5.108 125.331 120.300 -0.128 0.000 2.331 396 Y HA 0.512 5.062 4.550 -0.000 0.000 0.338 396 Y C 0.049 175.983 175.900 0.057 0.000 0.992 396 Y CA -1.288 56.794 58.100 -0.030 0.000 1.121 396 Y CB 1.312 39.768 38.460 -0.006 0.000 1.184 396 Y HN 0.567 nan 8.280 nan 0.000 0.469 397 K N 7.797 127.834 120.400 -0.605 0.000 2.334 397 K HA 0.233 4.553 4.320 -0.000 0.000 0.265 397 K C -1.466 174.684 176.600 -0.750 0.000 1.039 397 K CA -0.651 55.326 56.287 -0.517 0.000 0.920 397 K CB 0.239 32.569 32.500 -0.283 0.000 1.160 397 K HN 0.648 nan 8.250 nan 0.000 0.451 398 F N 5.229 124.747 119.950 -0.720 0.000 2.471 398 F HA 0.080 4.607 4.527 -0.000 0.000 0.365 398 F C 0.417 176.053 175.800 -0.274 0.000 1.095 398 F CA -0.279 57.445 58.000 -0.459 0.000 1.174 398 F CB 0.607 39.537 39.000 -0.116 0.000 1.105 398 F HN 0.614 nan 8.300 nan 0.000 0.535 399 D N 1.980 121.931 120.400 -0.748 0.000 2.462 399 D HA 0.031 4.671 4.640 -0.000 0.000 0.221 399 D C 0.818 176.751 176.300 -0.612 0.000 1.173 399 D CA 0.048 53.723 54.000 -0.541 0.000 0.831 399 D CB -0.638 39.977 40.800 -0.308 0.000 1.001 399 D HN 0.505 nan 8.370 nan 0.000 0.499 400 N N -0.301 117.735 118.700 -1.106 0.000 2.333 400 N HA 0.028 4.768 4.740 -0.000 0.000 0.178 400 N C -0.441 174.925 175.510 -0.240 0.000 1.018 400 N CA 0.848 53.530 53.050 -0.613 0.000 0.882 400 N CB 0.194 38.354 38.487 -0.545 0.000 0.984 400 N HN 0.420 nan 8.380 nan 0.000 0.434 401 Y N -4.607 115.527 120.300 -0.276 0.000 2.852 401 Y HA 0.652 5.202 4.550 -0.000 0.000 0.350 401 Y C -0.133 175.858 175.900 0.152 0.000 1.272 401 Y CA -0.977 57.117 58.100 -0.011 0.000 1.086 401 Y CB 0.454 38.897 38.460 -0.030 0.000 1.408 401 Y HN -0.131 nan 8.280 nan 0.000 0.447 402 G N 0.464 109.530 108.800 0.442 0.000 2.896 402 G HA2 0.303 4.263 3.960 -0.000 0.000 0.247 402 G HA3 0.303 4.263 3.960 -0.000 0.000 0.247 402 G C -0.480 174.582 174.900 0.270 0.000 1.187 402 G CA -0.675 44.602 45.100 0.295 0.000 0.837 402 G HN 0.608 nan 8.290 nan 0.000 0.559 403 K N -0.333 120.150 120.400 0.138 0.000 2.059 403 K HA -0.122 4.198 4.320 -0.000 0.000 0.212 403 K C 2.658 179.283 176.600 0.041 0.000 1.050 403 K CA 2.319 58.648 56.287 0.070 0.000 0.927 403 K CB -0.546 31.987 32.500 0.055 0.000 0.714 403 K HN 0.361 nan 8.250 nan 0.000 0.447 404 T N 1.155 115.751 114.554 0.070 0.000 2.597 404 T HA -0.225 4.125 4.350 -0.000 0.000 0.267 404 T C 1.520 176.227 174.700 0.011 0.000 1.053 404 T CA 1.805 63.931 62.100 0.043 0.000 1.165 404 T CB -0.485 68.425 68.868 0.070 0.000 0.863 404 T HN 0.242 nan 8.240 nan 0.000 0.427 405 F N 1.403 121.319 119.950 -0.057 0.000 2.134 405 F HA -0.037 4.490 4.527 -0.000 0.000 0.299 405 F C 2.041 177.682 175.800 -0.264 0.000 1.097 405 F CA 0.940 58.838 58.000 -0.170 0.000 1.264 405 F CB -0.455 38.368 39.000 -0.295 0.000 1.001 405 F HN 0.109 nan 8.300 nan 0.000 0.479 406 I N 0.409 120.798 120.570 -0.301 0.000 2.142 406 I HA -0.339 3.831 4.170 -0.000 0.000 0.240 406 I C 2.330 178.221 176.117 -0.375 0.000 1.078 406 I CA 1.673 62.653 61.300 -0.533 0.000 1.343 406 I CB -0.584 37.118 38.000 -0.497 0.000 1.046 406 I HN 0.087 nan 8.210 nan 0.000 0.405 407 K N 0.898 121.167 120.400 -0.219 0.000 2.152 407 K HA -0.179 4.141 4.320 -0.000 0.000 0.206 407 K C 1.910 178.400 176.600 -0.184 0.000 1.048 407 K CA 1.197 57.397 56.287 -0.145 0.000 0.933 407 K CB -0.113 32.340 32.500 -0.079 0.000 0.721 407 K HN 0.284 nan 8.250 nan 0.000 0.447 408 K N 0.474 120.711 120.400 -0.273 0.000 2.515 408 K HA -0.076 4.244 4.320 -0.000 0.000 0.196 408 K C 1.201 177.616 176.600 -0.309 0.000 1.038 408 K CA 0.671 56.793 56.287 -0.275 0.000 0.967 408 K CB 0.249 32.557 32.500 -0.320 0.000 0.780 408 K HN 0.091 nan 8.250 nan 0.000 0.483 409 Q N 0.360 119.948 119.800 -0.353 0.000 2.247 409 Q HA 0.100 4.439 4.340 -0.000 0.000 0.204 409 Q C -0.504 175.427 176.000 -0.116 0.000 0.872 409 Q CA 0.123 55.777 55.803 -0.248 0.000 0.951 409 Q CB 0.561 29.150 28.738 -0.249 0.000 1.099 409 Q HN 0.142 nan 8.270 nan 0.000 0.501 410 K N -0.061 120.275 120.400 -0.107 0.000 3.162 410 K HA -0.157 4.163 4.320 -0.000 0.000 0.268 410 K C -0.890 175.698 176.600 -0.019 0.000 1.062 410 K CA 0.357 56.612 56.287 -0.054 0.000 0.769 410 K CB -2.175 30.300 32.500 -0.041 0.000 1.274 410 K HN 0.271 nan 8.250 nan 0.000 0.478 411 C N 0.342 119.634 119.300 -0.013 0.000 2.797 411 C HA 0.437 4.897 4.460 -0.000 0.000 0.306 411 C C 0.720 175.739 174.990 0.048 0.000 1.207 411 C CA -0.882 58.168 59.018 0.054 0.000 1.507 411 C CB 1.728 29.575 27.740 0.178 0.000 2.028 411 C HN 0.563 nan 8.230 nan 0.000 0.475 412 S N 3.256 119.004 115.700 0.080 0.000 2.549 412 S HA 0.226 4.696 4.470 -0.000 0.000 0.279 412 S C -1.004 173.670 174.600 0.124 0.000 1.321 412 S CA -0.424 57.827 58.200 0.084 0.000 1.054 412 S CB 0.827 64.079 63.200 0.087 0.000 0.899 412 S HN 0.679 nan 8.310 nan 0.000 0.497 413 P HA -0.155 nan 4.420 nan 0.000 0.215 413 P C 0.963 178.387 177.300 0.207 0.000 1.153 413 P CA 1.623 64.796 63.100 0.121 0.000 0.853 413 P CB -0.081 31.673 31.700 0.089 0.000 0.788 414 D N 0.068 120.592 120.400 0.207 0.000 2.104 414 D HA -0.143 4.497 4.640 -0.000 0.000 0.194 414 D C 2.131 178.555 176.300 0.207 0.000 0.994 414 D CA 1.730 55.886 54.000 0.261 0.000 0.830 414 D CB -0.632 40.312 40.800 0.240 0.000 0.959 414 D HN 0.039 nan 8.370 nan 0.000 0.452 415 A N -0.620 122.305 122.820 0.174 0.000 1.933 415 A HA -0.108 4.212 4.320 -0.000 0.000 0.218 415 A C 2.120 179.780 177.584 0.126 0.000 1.175 415 A CA 1.070 53.185 52.037 0.129 0.000 0.628 415 A CB -1.102 17.960 19.000 0.103 0.000 0.814 415 A HN 0.439 nan 8.150 nan 0.000 0.444 416 F N 0.568 120.532 119.950 0.023 0.000 2.134 416 F HA -0.122 4.405 4.527 -0.000 0.000 0.299 416 F C 1.946 177.750 175.800 0.008 0.000 1.097 416 F CA 1.703 59.714 58.000 0.017 0.000 1.264 416 F CB -0.159 38.877 39.000 0.059 0.000 1.001 416 F HN 0.176 nan 8.300 nan 0.000 0.479 417 I N -0.274 120.461 120.570 0.275 0.000 2.286 417 I HA -0.253 3.917 4.170 -0.000 0.000 0.245 417 I C 2.359 178.431 176.117 -0.076 0.000 1.104 417 I CA 0.756 62.091 61.300 0.059 0.000 1.397 417 I CB -0.582 37.290 38.000 -0.213 0.000 1.072 417 I HN 0.154 nan 8.210 nan 0.000 0.417 418 Q N 0.364 120.144 119.800 -0.034 0.000 2.135 418 Q HA -0.153 4.187 4.340 -0.000 0.000 0.204 418 Q C 2.487 178.490 176.000 0.005 0.000 0.981 418 Q CA 1.386 57.198 55.803 0.015 0.000 0.856 418 Q CB -0.398 28.384 28.738 0.073 0.000 0.902 418 Q HN 0.393 nan 8.270 nan 0.000 0.425 419 V N 0.806 120.695 119.914 -0.042 0.000 2.453 419 V HA -0.198 3.922 4.120 -0.000 0.000 0.247 419 V C 2.313 178.385 176.094 -0.037 0.000 1.048 419 V CA 1.497 63.757 62.300 -0.066 0.000 1.049 419 V CB -0.847 30.847 31.823 -0.215 0.000 0.672 419 V HN 0.305 nan 8.190 nan 0.000 0.457 420 A N -0.206 122.553 122.820 -0.101 0.000 1.902 420 A HA -0.143 4.177 4.320 -0.000 0.000 0.217 420 A C 2.182 179.706 177.584 -0.100 0.000 1.181 420 A CA 1.614 53.588 52.037 -0.106 0.000 0.623 420 A CB -0.484 18.438 19.000 -0.131 0.000 0.818 420 A HN 0.501 nan 8.150 nan 0.000 0.443 421 L N -0.718 120.473 121.223 -0.052 0.000 2.083 421 L HA -0.216 4.123 4.340 -0.000 0.000 0.209 421 L C 2.843 179.801 176.870 0.146 0.000 1.083 421 L CA 1.074 55.930 54.840 0.027 0.000 0.752 421 L CB -0.480 41.671 42.059 0.153 0.000 0.899 421 L HN 0.388 nan 8.230 nan 0.000 0.433 422 Q N -0.426 119.452 119.800 0.130 0.000 2.119 422 Q HA -0.182 4.158 4.340 -0.000 0.000 0.201 422 Q C 2.251 178.372 176.000 0.201 0.000 0.972 422 Q CA 1.309 57.221 55.803 0.181 0.000 0.847 422 Q CB -0.379 28.435 28.738 0.126 0.000 0.903 422 Q HN 0.371 nan 8.270 nan 0.000 0.433 423 L N 0.631 121.919 121.223 0.108 0.000 2.072 423 L HA -0.001 4.339 4.340 -0.000 0.000 0.205 423 L C 2.105 178.980 176.870 0.008 0.000 1.079 423 L CA 1.896 56.764 54.840 0.046 0.000 0.752 423 L CB -0.877 41.180 42.059 -0.003 0.000 0.906 423 L HN 0.092 nan 8.230 nan 0.000 0.436 424 A N -0.839 121.921 122.820 -0.101 0.000 1.877 424 A HA -0.274 4.045 4.320 -0.000 0.000 0.216 424 A C 2.311 179.821 177.584 -0.124 0.000 1.186 424 A CA 1.986 53.835 52.037 -0.312 0.000 0.620 424 A CB -1.257 17.282 19.000 -0.768 0.000 0.822 424 A HN 0.519 nan 8.150 nan 0.000 0.443 425 F N -1.524 118.485 119.950 0.098 0.000 2.134 425 F HA -0.165 4.362 4.527 -0.000 0.000 0.299 425 F C 2.165 178.091 175.800 0.209 0.000 1.097 425 F CA 1.983 60.200 58.000 0.361 0.000 1.264 425 F CB -0.287 38.976 39.000 0.438 0.000 1.001 425 F HN 0.363 nan 8.300 nan 0.000 0.479 426 Y N 1.707 122.169 120.300 0.270 0.000 2.200 426 Y HA -0.199 4.351 4.550 -0.000 0.000 0.290 426 Y C 2.713 178.598 175.900 -0.024 0.000 1.137 426 Y CA 2.137 60.323 58.100 0.143 0.000 1.163 426 Y CB -0.474 38.036 38.460 0.084 0.000 0.988 426 Y HN 0.069 nan 8.280 nan 0.000 0.518 427 R N -0.099 120.404 120.500 0.005 0.000 2.189 427 R HA -0.115 4.225 4.340 -0.000 0.000 0.223 427 R C 1.929 178.093 176.300 -0.227 0.000 1.092 427 R CA 1.673 57.704 56.100 -0.115 0.000 0.989 427 R CB -0.766 29.468 30.300 -0.109 0.000 0.876 427 R HN 0.460 nan 8.270 nan 0.000 0.457 428 L N -0.029 121.003 121.223 -0.319 0.000 2.145 428 L HA 0.039 4.379 4.340 -0.000 0.000 0.201 428 L C 1.601 178.121 176.870 -0.583 0.000 1.075 428 L CA 0.835 55.379 54.840 -0.492 0.000 0.773 428 L CB -0.009 41.642 42.059 -0.680 0.000 0.936 428 L HN 0.303 nan 8.230 nan 0.000 0.451 429 H N -0.067 118.813 119.070 -0.318 0.000 2.648 429 H HA 0.231 4.787 4.556 -0.000 0.000 0.265 429 H C 0.225 175.389 175.328 -0.274 0.000 0.961 429 H CA -0.116 55.747 56.048 -0.309 0.000 1.185 429 H CB 0.636 30.097 29.762 -0.502 0.000 1.449 429 H HN 0.203 nan 8.280 nan 0.000 0.523 430 R N 0.363 120.641 120.500 -0.369 0.000 3.774 430 R HA -0.157 4.183 4.340 -0.000 0.000 0.320 430 R C -0.144 175.805 176.300 -0.586 0.000 1.175 430 R CA 0.768 56.486 56.100 -0.638 0.000 0.849 430 R CB -2.257 27.857 30.300 -0.310 0.000 1.365 430 R HN 0.661 nan 8.270 nan 0.000 0.502 431 R N -1.709 118.602 120.500 -0.314 0.000 2.709 431 R HA 0.578 4.918 4.340 -0.000 0.000 0.270 431 R C -1.080 175.556 176.300 0.560 0.000 1.038 431 R CA -1.100 55.124 56.100 0.207 0.000 0.872 431 R CB 1.039 31.457 30.300 0.196 0.000 1.259 431 R HN -0.029 nan 8.270 nan 0.000 0.473 432 L N 1.932 123.459 121.223 0.506 0.000 2.360 432 L HA 0.752 5.091 4.340 -0.000 0.000 0.271 432 L C -0.074 176.857 176.870 0.102 0.000 1.057 432 L CA -1.169 53.865 54.840 0.324 0.000 0.803 432 L CB 1.948 44.163 42.059 0.261 0.000 1.207 432 L HN 0.642 nan 8.230 nan 0.000 0.445 433 V N -0.080 119.761 119.914 -0.122 0.000 3.102 433 V HA 0.584 4.703 4.120 -0.000 0.000 0.312 433 V C -2.694 173.339 176.094 -0.100 0.000 1.135 433 V CA -2.785 59.430 62.300 -0.141 0.000 1.022 433 V CB 1.509 33.173 31.823 -0.265 0.000 1.056 433 V HN 0.511 nan 8.190 nan 0.000 0.436 434 P HA 0.228 nan 4.420 nan 0.000 0.260 434 P C -0.355 177.068 177.300 0.204 0.000 1.185 434 P CA 0.847 63.993 63.100 0.076 0.000 0.763 434 P CB 0.128 31.835 31.700 0.013 0.000 0.776 435 T N 3.504 118.172 114.554 0.191 0.000 2.885 435 T HA 0.390 4.740 4.350 -0.000 0.000 0.285 435 T C -1.069 173.664 174.700 0.055 0.000 1.019 435 T CA -0.260 61.926 62.100 0.143 0.000 1.010 435 T CB 0.788 69.673 68.868 0.029 0.000 1.022 435 T HN 0.174 nan 8.240 nan 0.000 0.466 436 Y N 1.653 121.820 120.300 -0.221 0.000 2.377 436 Y HA 0.569 5.119 4.550 -0.000 0.000 0.339 436 Y C -0.183 175.599 175.900 -0.197 0.000 1.011 436 Y CA -0.763 57.020 58.100 -0.529 0.000 1.093 436 Y CB 1.236 39.107 38.460 -0.982 0.000 1.201 436 Y HN 0.665 nan 8.280 nan 0.000 0.455 437 E N 3.947 123.772 120.200 -0.625 0.000 2.274 437 E HA 0.329 4.679 4.350 -0.000 0.000 0.269 437 E C -1.404 174.885 176.600 -0.518 0.000 0.891 437 E CA -0.673 55.556 56.400 -0.286 0.000 0.784 437 E CB 1.263 30.915 29.700 -0.079 0.000 1.225 437 E HN 0.717 nan 8.360 nan 0.000 0.412 438 S N 2.014 117.576 115.700 -0.230 0.000 2.546 438 S HA 0.353 4.823 4.470 -0.000 0.000 0.290 438 S C -0.199 174.364 174.600 -0.062 0.000 1.290 438 S CA -0.030 58.113 58.200 -0.096 0.000 1.069 438 S CB 1.056 64.350 63.200 0.158 0.000 0.846 438 S HN 0.539 nan 8.310 nan 0.000 0.495 439 A N 2.741 125.528 122.820 -0.055 0.000 2.332 439 A HA 0.617 4.937 4.320 -0.000 0.000 0.300 439 A C 0.103 177.695 177.584 0.014 0.000 1.153 439 A CA -0.661 51.377 52.037 0.001 0.000 0.764 439 A CB 1.131 20.141 19.000 0.018 0.000 1.174 439 A HN 0.664 nan 8.150 nan 0.000 0.467 440 S N 1.949 117.665 115.700 0.027 0.000 2.531 440 S HA 0.384 4.853 4.470 -0.000 0.000 0.279 440 S C 0.560 175.178 174.600 0.030 0.000 1.305 440 S CA -0.118 58.093 58.200 0.017 0.000 1.058 440 S CB -0.261 62.953 63.200 0.024 0.000 0.899 440 S HN 0.974 nan 8.310 nan 0.000 0.493 441 I N 2.563 123.145 120.570 0.021 0.000 3.424 441 I HA 0.426 4.596 4.170 -0.000 0.000 0.339 441 I C 1.050 177.215 176.117 0.080 0.000 1.549 441 I CA -0.586 60.787 61.300 0.121 0.000 1.049 441 I CB 0.103 38.195 38.000 0.154 0.000 1.439 441 I HN 0.482 nan 8.210 nan 0.000 0.500 442 R N 1.242 121.737 120.500 -0.007 0.000 2.357 442 R HA 0.084 4.424 4.340 -0.000 0.000 0.202 442 R C 1.685 177.920 176.300 -0.107 0.000 1.047 442 R CA 0.508 56.590 56.100 -0.028 0.000 1.034 442 R CB -0.155 30.142 30.300 -0.004 0.000 0.875 442 R HN 0.511 nan 8.270 nan 0.000 0.473 443 R N -0.444 119.893 120.500 -0.271 0.000 2.189 443 R HA -0.001 4.339 4.340 -0.000 0.000 0.218 443 R C -0.068 175.828 176.300 -0.674 0.000 1.074 443 R CA 0.711 56.488 56.100 -0.538 0.000 0.991 443 R CB 0.145 29.936 30.300 -0.848 0.000 0.883 443 R HN 0.022 nan 8.270 nan 0.000 0.457 444 F N 0.743 120.680 119.950 -0.022 0.000 2.470 444 F HA 0.254 4.781 4.527 -0.000 0.000 0.329 444 F C 0.543 176.318 175.800 -0.042 0.000 1.072 444 F CA -1.273 56.709 58.000 -0.029 0.000 0.989 444 F CB 0.817 39.791 39.000 -0.045 0.000 1.193 444 F HN -0.258 nan 8.300 nan 0.000 0.481 445 Q N 1.723 121.611 119.800 0.146 0.000 2.368 445 Q HA -0.090 4.250 4.340 -0.000 0.000 0.331 445 Q C 0.285 176.304 176.000 0.031 0.000 1.086 445 Q CA 0.857 56.700 55.803 0.066 0.000 1.031 445 Q CB 0.010 28.782 28.738 0.056 0.000 1.125 445 Q HN 0.711 nan 8.270 nan 0.000 0.389 446 E N -0.625 119.586 120.200 0.019 0.000 3.146 446 E HA -0.237 4.113 4.350 -0.000 0.000 0.277 446 E C 0.231 176.805 176.600 -0.044 0.000 1.003 446 E CA 0.279 56.678 56.400 -0.001 0.000 0.861 446 E CB -1.691 28.000 29.700 -0.014 0.000 1.436 446 E HN 0.818 nan 8.360 nan 0.000 0.455 447 G N 0.471 109.256 108.800 -0.025 0.000 2.202 447 G HA2 0.027 3.987 3.960 -0.000 0.000 0.251 447 G HA3 0.027 3.987 3.960 -0.000 0.000 0.251 447 G C 0.775 175.597 174.900 -0.131 0.000 1.219 447 G CA -0.065 44.998 45.100 -0.062 0.000 0.943 447 G HN -0.020 nan 8.290 nan 0.000 0.465 448 R N 1.220 121.540 120.500 -0.300 0.000 1.747 448 R HA 0.500 4.840 4.340 -0.000 0.000 0.136 448 R C 0.816 176.895 176.300 -0.369 0.000 2.116 448 R CA 0.767 56.619 56.100 -0.413 0.000 1.739 448 R CB -0.533 29.223 30.300 -0.906 0.000 1.333 448 R HN 0.798 nan 8.270 nan 0.000 0.480 449 V N -1.250 118.311 119.914 -0.588 0.000 3.159 449 V HA 0.627 4.746 4.120 -0.000 0.000 0.308 449 V C -1.089 174.868 176.094 -0.228 0.000 1.190 449 V CA -0.934 61.211 62.300 -0.259 0.000 1.037 449 V CB 2.639 34.444 31.823 -0.030 0.000 1.060 449 V HN 0.326 nan 8.190 nan 0.000 0.437 450 D N 0.794 121.160 120.400 -0.058 0.000 2.614 450 D HA 0.476 5.116 4.640 -0.000 0.000 0.264 450 D C -1.407 174.884 176.300 -0.015 0.000 1.092 450 D CA -0.483 53.531 54.000 0.023 0.000 1.071 450 D CB 2.502 43.330 40.800 0.047 0.000 1.443 450 D HN 0.812 nan 8.370 nan 0.000 0.528 451 N N 0.447 119.147 118.700 0.001 0.000 2.430 451 N HA 0.389 5.129 4.740 -0.000 0.000 0.292 451 N C -0.965 174.506 175.510 -0.065 0.000 1.051 451 N CA -0.313 52.590 53.050 -0.245 0.000 0.917 451 N CB 0.812 39.172 38.487 -0.211 0.000 1.164 451 N HN 0.313 nan 8.380 nan 0.000 0.484 452 I N 3.231 123.662 120.570 -0.231 0.000 2.307 452 I HA 0.273 4.443 4.170 -0.000 0.000 0.289 452 I C 0.416 176.264 176.117 -0.449 0.000 1.021 452 I CA -0.558 60.646 61.300 -0.159 0.000 1.224 452 I CB 0.759 38.726 38.000 -0.055 0.000 1.376 452 I HN 0.286 nan 8.210 nan 0.000 0.470 453 R N 4.312 124.284 120.500 -0.881 0.000 2.419 453 R HA 0.180 4.520 4.340 -0.000 0.000 0.305 453 R C 0.896 176.884 176.300 -0.520 0.000 1.242 453 R CA -0.151 55.596 56.100 -0.589 0.000 1.105 453 R CB 0.454 30.513 30.300 -0.401 0.000 1.116 453 R HN 0.597 nan 8.270 nan 0.000 0.523 454 S N 1.496 117.042 115.700 -0.257 0.000 2.515 454 S HA -0.070 4.399 4.470 -0.000 0.000 0.231 454 S C 1.186 175.764 174.600 -0.037 0.000 0.987 454 S CA 0.551 58.676 58.200 -0.125 0.000 0.936 454 S CB 0.354 63.530 63.200 -0.040 0.000 0.766 454 S HN 0.642 nan 8.310 nan 0.000 0.528 455 A N 3.137 125.955 122.820 -0.004 0.000 3.077 455 A HA 0.377 4.697 4.320 -0.000 0.000 0.255 455 A C 0.955 178.666 177.584 0.211 0.000 1.728 455 A CA -0.512 51.580 52.037 0.093 0.000 1.383 455 A CB -0.945 18.102 19.000 0.079 0.000 1.097 455 A HN 0.409 nan 8.150 nan 0.000 0.634 456 T N -2.218 112.392 114.554 0.094 0.000 2.788 456 T HA 0.349 4.699 4.350 -0.000 0.000 0.287 456 T C -1.751 172.844 174.700 -0.175 0.000 1.007 456 T CA -1.298 60.835 62.100 0.054 0.000 1.005 456 T CB 0.665 69.550 68.868 0.028 0.000 1.012 456 T HN 0.123 nan 8.240 nan 0.000 0.530 457 P HA 0.007 nan 4.420 nan 0.000 0.219 457 P C 1.221 178.362 177.300 -0.266 0.000 1.150 457 P CA 0.821 63.588 63.100 -0.555 0.000 0.814 457 P CB 0.055 31.559 31.700 -0.326 0.000 0.787 458 E N -0.173 119.946 120.200 -0.134 0.000 2.072 458 E HA -0.115 4.235 4.350 -0.000 0.000 0.191 458 E C 2.129 178.706 176.600 -0.037 0.000 0.985 458 E CA 1.451 57.809 56.400 -0.071 0.000 0.801 458 E CB -1.236 28.438 29.700 -0.043 0.000 0.750 458 E HN 0.120 nan 8.360 nan 0.000 0.452 459 A N 0.731 123.531 122.820 -0.034 0.000 1.902 459 A HA -0.159 4.161 4.320 -0.000 0.000 0.217 459 A C 2.151 179.725 177.584 -0.016 0.000 1.181 459 A CA 1.304 53.360 52.037 0.031 0.000 0.623 459 A CB -0.681 18.339 19.000 0.033 0.000 0.818 459 A HN 0.271 nan 8.150 nan 0.000 0.443 460 L N -0.141 121.014 121.223 -0.113 0.000 2.012 460 L HA -0.101 4.239 4.340 -0.000 0.000 0.210 460 L C 2.687 179.428 176.870 -0.216 0.000 1.073 460 L CA 2.295 57.017 54.840 -0.197 0.000 0.748 460 L CB -0.847 41.102 42.059 -0.183 0.000 0.891 460 L HN 0.349 nan 8.230 nan 0.000 0.431 461 A N -1.159 121.581 122.820 -0.134 0.000 1.933 461 A HA -0.256 4.064 4.320 -0.000 0.000 0.218 461 A C 2.242 179.794 177.584 -0.054 0.000 1.175 461 A CA 1.828 53.809 52.037 -0.092 0.000 0.628 461 A CB -1.102 17.865 19.000 -0.054 0.000 0.814 461 A HN 0.561 nan 8.150 nan 0.000 0.444 462 F N 1.259 121.114 119.950 -0.159 0.000 2.113 462 F HA -0.144 4.383 4.527 -0.000 0.000 0.297 462 F C 2.335 178.035 175.800 -0.167 0.000 1.103 462 F CA 2.036 59.952 58.000 -0.140 0.000 1.248 462 F CB -0.594 38.331 39.000 -0.125 0.000 0.999 462 F HN 0.125 nan 8.300 nan 0.000 0.475 463 V N -0.560 119.068 119.914 -0.477 0.000 2.515 463 V HA -0.175 3.944 4.120 -0.000 0.000 0.250 463 V C 2.407 178.164 176.094 -0.561 0.000 1.058 463 V CA 1.902 63.826 62.300 -0.626 0.000 1.064 463 V CB -1.035 30.462 31.823 -0.543 0.000 0.675 463 V HN 0.340 nan 8.190 nan 0.000 0.461 464 R N 0.828 121.018 120.500 -0.517 0.000 2.075 464 R HA 0.080 4.420 4.340 -0.000 0.000 0.232 464 R C 2.606 178.783 176.300 -0.205 0.000 1.126 464 R CA 1.483 57.399 56.100 -0.307 0.000 0.963 464 R CB -0.714 29.451 30.300 -0.225 0.000 0.858 464 R HN 0.613 nan 8.270 nan 0.000 0.435 465 A N 0.537 123.228 122.820 -0.215 0.000 1.933 465 A HA -0.117 4.203 4.320 -0.000 0.000 0.218 465 A C 2.279 179.747 177.584 -0.194 0.000 1.175 465 A CA 1.380 53.324 52.037 -0.155 0.000 0.628 465 A CB -0.387 18.554 19.000 -0.099 0.000 0.814 465 A HN 0.122 nan 8.150 nan 0.000 0.444 466 V N 0.186 119.901 119.914 -0.332 0.000 2.323 466 V HA -0.178 3.942 4.120 -0.000 0.000 0.244 466 V C 2.932 178.876 176.094 -0.250 0.000 1.041 466 V CA 2.340 64.449 62.300 -0.318 0.000 1.025 466 V CB -1.175 30.335 31.823 -0.522 0.000 0.656 466 V HN 0.816 nan 8.190 nan 0.000 0.451 467 T N -2.532 111.879 114.554 -0.238 0.000 3.014 467 T HA -0.063 4.287 4.350 -0.000 0.000 0.263 467 T C 1.011 175.484 174.700 -0.378 0.000 1.078 467 T CA 0.651 62.596 62.100 -0.258 0.000 1.135 467 T CB -0.251 68.600 68.868 -0.028 0.000 0.895 467 T HN 0.330 nan 8.240 nan 0.000 0.480 468 D N 1.809 122.078 120.400 -0.218 0.000 2.551 468 D HA 0.048 4.687 4.640 -0.000 0.000 0.223 468 D C 0.989 177.214 176.300 -0.126 0.000 1.144 468 D CA -0.285 53.624 54.000 -0.153 0.000 1.025 468 D CB -0.198 40.565 40.800 -0.063 0.000 1.085 468 D HN 0.326 nan 8.370 nan 0.000 0.506 469 H N 2.315 121.377 119.070 -0.014 0.000 2.321 469 H HA -0.165 4.391 4.556 -0.000 0.000 0.295 469 H C 1.649 176.970 175.328 -0.012 0.000 1.102 469 H CA 1.236 57.274 56.048 -0.016 0.000 1.266 469 H CB 0.163 29.915 29.762 -0.017 0.000 1.363 469 H HN 0.431 nan 8.280 nan 0.000 0.492 470 K N 0.419 120.886 120.400 0.112 0.000 2.113 470 K HA -0.116 4.204 4.320 -0.000 0.000 0.208 470 K C 2.395 179.016 176.600 0.034 0.000 1.047 470 K CA 1.086 57.409 56.287 0.060 0.000 0.928 470 K CB -0.111 32.413 32.500 0.041 0.000 0.716 470 K HN 0.226 nan 8.250 nan 0.000 0.446 471 A N 1.062 123.894 122.820 0.020 0.000 1.972 471 A HA 0.073 4.393 4.320 -0.000 0.000 0.219 471 A C 1.363 178.954 177.584 0.013 0.000 1.169 471 A CA 1.206 53.247 52.037 0.007 0.000 0.635 471 A CB -0.462 18.532 19.000 -0.010 0.000 0.810 471 A HN 0.373 nan 8.150 nan 0.000 0.446 472 A N -1.703 121.131 122.820 0.024 0.000 2.791 472 A HA -0.087 4.233 4.320 -0.000 0.000 0.292 472 A C 0.342 177.936 177.584 0.016 0.000 1.487 472 A CA 0.573 52.626 52.037 0.027 0.000 0.760 472 A CB -2.573 16.441 19.000 0.023 0.000 1.031 472 A HN 0.957 nan 8.150 nan 0.000 0.503 473 V N 0.897 120.816 119.914 0.008 0.000 2.529 473 V HA 0.246 4.366 4.120 -0.000 0.000 0.292 473 V C -1.304 174.799 176.094 0.015 0.000 1.028 473 V CA -0.479 61.824 62.300 0.006 0.000 1.074 473 V CB 0.453 32.272 31.823 -0.006 0.000 0.958 473 V HN 0.533 nan 8.190 nan 0.000 0.481 474 P HA 0.083 nan 4.420 nan 0.000 0.266 474 P C 0.650 177.968 177.300 0.030 0.000 1.195 474 P CA 0.213 63.326 63.100 0.022 0.000 0.768 474 P CB 0.687 32.398 31.700 0.019 0.000 0.838 475 A N 3.018 125.858 122.820 0.034 0.000 1.908 475 A HA -0.222 4.098 4.320 -0.000 0.000 0.218 475 A C 2.227 179.842 177.584 0.050 0.000 1.181 475 A CA 2.368 54.433 52.037 0.046 0.000 0.627 475 A CB -1.738 17.289 19.000 0.045 0.000 0.818 475 A HN 0.627 nan 8.150 nan 0.000 0.445 476 S N -0.135 115.589 115.700 0.039 0.000 2.383 476 S HA -0.243 4.227 4.470 -0.000 0.000 0.229 476 S C 1.784 176.405 174.600 0.036 0.000 1.030 476 S CA 1.759 59.980 58.200 0.035 0.000 1.002 476 S CB -0.356 62.859 63.200 0.025 0.000 0.829 476 S HN 0.585 nan 8.310 nan 0.000 0.467 477 E N 1.699 121.921 120.200 0.036 0.000 2.107 477 E HA 0.023 4.373 4.350 -0.000 0.000 0.191 477 E C 1.947 178.583 176.600 0.060 0.000 0.982 477 E CA 1.181 57.603 56.400 0.036 0.000 0.809 477 E CB -0.314 29.401 29.700 0.026 0.000 0.756 477 E HN 0.657 nan 8.360 nan 0.000 0.459 478 K N -0.139 120.308 120.400 0.078 0.000 2.097 478 K HA -0.127 4.193 4.320 -0.000 0.000 0.206 478 K C 2.054 178.765 176.600 0.184 0.000 1.049 478 K CA 1.183 57.558 56.287 0.148 0.000 0.933 478 K CB -0.235 32.339 32.500 0.124 0.000 0.717 478 K HN 0.149 nan 8.250 nan 0.000 0.442 479 L N 1.355 122.639 121.223 0.103 0.000 2.093 479 L HA -0.117 4.223 4.340 -0.000 0.000 0.208 479 L C 1.788 178.659 176.870 0.002 0.000 1.085 479 L CA 1.490 56.362 54.840 0.053 0.000 0.755 479 L CB -0.252 41.834 42.059 0.045 0.000 0.904 479 L HN 0.110 nan 8.230 nan 0.000 0.435 480 L N -1.344 119.888 121.223 0.015 0.000 2.093 480 L HA -0.201 4.139 4.340 -0.000 0.000 0.208 480 L C 2.476 179.333 176.870 -0.022 0.000 1.085 480 L CA 1.059 55.895 54.840 -0.006 0.000 0.755 480 L CB -0.526 41.536 42.059 0.005 0.000 0.904 480 L HN 0.294 nan 8.230 nan 0.000 0.435 481 L N -0.502 120.734 121.223 0.021 0.000 2.093 481 L HA -0.219 4.121 4.340 -0.000 0.000 0.208 481 L C 2.529 179.321 176.870 -0.129 0.000 1.085 481 L CA 0.971 55.833 54.840 0.037 0.000 0.755 481 L CB -0.350 41.816 42.059 0.178 0.000 0.904 481 L HN 0.300 nan 8.230 nan 0.000 0.435 482 L N -0.196 120.852 121.223 -0.292 0.000 1.994 482 L HA -0.222 4.118 4.340 -0.000 0.000 0.208 482 L C 2.740 179.323 176.870 -0.478 0.000 1.071 482 L CA 1.513 55.830 54.840 -0.872 0.000 0.745 482 L CB -0.234 41.420 42.059 -0.674 0.000 0.892 482 L HN 0.134 nan 8.230 nan 0.000 0.431 483 K N -0.073 120.182 120.400 -0.242 0.000 2.147 483 K HA -0.228 4.092 4.320 -0.000 0.000 0.205 483 K C 1.767 178.296 176.600 -0.118 0.000 1.049 483 K CA 1.741 57.942 56.287 -0.144 0.000 0.936 483 K CB -0.618 31.837 32.500 -0.075 0.000 0.722 483 K HN 0.456 nan 8.250 nan 0.000 0.446 484 D N 0.278 120.612 120.400 -0.111 0.000 2.183 484 D HA -0.037 4.602 4.640 -0.000 0.000 0.203 484 D C 1.610 177.860 176.300 -0.083 0.000 0.969 484 D CA 1.062 55.019 54.000 -0.072 0.000 0.842 484 D CB 0.154 40.925 40.800 -0.048 0.000 0.957 484 D HN 0.149 nan 8.370 nan 0.000 0.484 485 A N 0.073 122.805 122.820 -0.147 0.000 1.897 485 A HA -0.043 4.277 4.320 -0.000 0.000 0.215 485 A C 2.340 179.855 177.584 -0.116 0.000 1.181 485 A CA 0.770 52.725 52.037 -0.137 0.000 0.620 485 A CB -0.633 18.234 19.000 -0.222 0.000 0.821 485 A HN 0.326 nan 8.150 nan 0.000 0.443 486 I N -1.012 119.465 120.570 -0.155 0.000 2.315 486 I HA -0.215 3.955 4.170 -0.000 0.000 0.248 486 I C 2.720 178.825 176.117 -0.021 0.000 1.117 486 I CA 1.354 62.602 61.300 -0.085 0.000 1.404 486 I CB -0.301 37.649 38.000 -0.084 0.000 1.071 486 I HN 0.378 nan 8.210 nan 0.000 0.419 487 R N 1.306 121.790 120.500 -0.026 0.000 2.075 487 R HA -0.149 4.191 4.340 -0.000 0.000 0.232 487 R C 2.366 178.681 176.300 0.024 0.000 1.126 487 R CA 1.543 57.644 56.100 0.002 0.000 0.963 487 R CB -0.186 30.111 30.300 -0.006 0.000 0.858 487 R HN 0.321 nan 8.270 nan 0.000 0.435 488 A N 0.604 123.435 122.820 0.018 0.000 1.933 488 A HA -0.223 4.097 4.320 -0.000 0.000 0.218 488 A C 2.037 179.678 177.584 0.096 0.000 1.175 488 A CA 1.526 53.595 52.037 0.054 0.000 0.628 488 A CB -0.475 18.547 19.000 0.036 0.000 0.814 488 A HN 0.422 nan 8.150 nan 0.000 0.444 489 Q N -0.312 119.526 119.800 0.062 0.000 2.046 489 Q HA -0.103 4.236 4.340 -0.000 0.000 0.200 489 Q C 1.981 178.049 176.000 0.114 0.000 0.975 489 Q CA 2.568 58.419 55.803 0.080 0.000 0.836 489 Q CB -0.896 27.866 28.738 0.040 0.000 0.896 489 Q HN 0.527 nan 8.270 nan 0.000 0.428 490 T N 0.325 114.932 114.554 0.087 0.000 2.821 490 T HA -0.060 4.289 4.350 -0.000 0.000 0.267 490 T C 1.682 176.439 174.700 0.095 0.000 1.046 490 T CA 1.188 63.340 62.100 0.088 0.000 1.139 490 T CB -0.511 68.395 68.868 0.064 0.000 0.871 490 T HN 0.459 nan 8.240 nan 0.000 0.454 491 A N 0.277 123.153 122.820 0.093 0.000 1.877 491 A HA -0.078 4.242 4.320 -0.000 0.000 0.216 491 A C 2.076 179.718 177.584 0.097 0.000 1.186 491 A CA 1.324 53.408 52.037 0.079 0.000 0.620 491 A CB -1.050 17.988 19.000 0.064 0.000 0.822 491 A HN 0.590 nan 8.150 nan 0.000 0.443 492 Y N 0.996 121.323 120.300 0.044 0.000 2.224 492 Y HA -0.193 4.357 4.550 -0.000 0.000 0.289 492 Y C 2.791 178.720 175.900 0.048 0.000 1.146 492 Y CA 2.120 60.251 58.100 0.052 0.000 1.182 492 Y CB -0.236 38.255 38.460 0.051 0.000 0.983 492 Y HN 0.351 nan 8.280 nan 0.000 0.524 493 T N -0.667 114.046 114.554 0.265 0.000 2.652 493 T HA -0.209 4.141 4.350 -0.000 0.000 0.267 493 T C 1.971 176.744 174.700 0.122 0.000 1.039 493 T CA 1.752 63.961 62.100 0.182 0.000 1.153 493 T CB -0.758 68.191 68.868 0.135 0.000 0.863 493 T HN 0.153 nan 8.240 nan 0.000 0.428 494 V N 1.628 121.597 119.914 0.092 0.000 2.407 494 V HA -0.198 3.922 4.120 -0.000 0.000 0.248 494 V C 2.425 178.550 176.094 0.052 0.000 1.055 494 V CA 1.887 64.226 62.300 0.066 0.000 1.049 494 V CB -0.640 31.214 31.823 0.052 0.000 0.662 494 V HN 0.483 nan 8.190 nan 0.000 0.455 495 M N 0.060 119.668 119.600 0.014 0.000 2.086 495 M HA -0.174 4.306 4.480 -0.000 0.000 0.261 495 M C 2.176 178.474 176.300 -0.003 0.000 1.067 495 M CA 2.329 57.604 55.300 -0.042 0.000 1.116 495 M CB -0.297 32.183 32.600 -0.200 0.000 1.348 495 M HN 0.325 nan 8.290 nan 0.000 0.407 496 A N 1.182 124.023 122.820 0.035 0.000 1.858 496 A HA -0.170 4.150 4.320 -0.000 0.000 0.216 496 A C 2.027 179.675 177.584 0.106 0.000 1.190 496 A CA 1.929 54.023 52.037 0.095 0.000 0.617 496 A CB -1.333 17.770 19.000 0.173 0.000 0.827 496 A HN 0.810 nan 8.150 nan 0.000 0.443 497 I N -1.667 118.968 120.570 0.109 0.000 2.567 497 I HA -0.105 4.065 4.170 -0.000 0.000 0.257 497 I C 1.651 177.890 176.117 0.203 0.000 1.184 497 I CA 1.823 63.197 61.300 0.124 0.000 1.451 497 I CB -0.815 37.236 38.000 0.085 0.000 1.089 497 I HN 0.321 nan 8.210 nan 0.000 0.441 498 T N -1.838 112.832 114.554 0.193 0.000 3.206 498 T HA 0.465 4.815 4.350 -0.000 0.000 0.253 498 T C 1.403 176.266 174.700 0.270 0.000 1.042 498 T CA 0.124 62.398 62.100 0.289 0.000 0.931 498 T CB -0.114 68.858 68.868 0.174 0.000 1.029 498 T HN 0.696 nan 8.240 nan 0.000 0.564 499 G N 1.980 110.886 108.800 0.177 0.000 2.203 499 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.263 499 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.263 499 G C 0.634 175.532 174.900 -0.004 0.000 1.012 499 G CA 0.450 45.536 45.100 -0.024 0.000 0.749 499 G HN 0.494 nan 8.290 nan 0.000 0.512 500 M N -0.323 119.295 119.600 0.030 0.000 2.356 500 M HA 0.451 4.931 4.480 -0.000 0.000 0.262 500 M C 1.608 177.918 176.300 0.015 0.000 1.097 500 M CA 0.247 55.557 55.300 0.017 0.000 0.991 500 M CB -0.159 32.444 32.600 0.006 0.000 1.450 500 M HN 0.500 nan 8.290 nan 0.000 0.495 501 A N 1.327 124.169 122.820 0.037 0.000 2.372 501 A HA 0.467 4.787 4.320 -0.000 0.000 0.271 501 A C 1.375 179.064 177.584 0.175 0.000 1.470 501 A CA 0.007 52.071 52.037 0.045 0.000 0.827 501 A CB 0.229 19.305 19.000 0.126 0.000 1.405 501 A HN 0.487 nan 8.150 nan 0.000 0.536 502 I N -5.118 115.603 120.570 0.252 0.000 4.433 502 I HA 0.231 4.401 4.170 -0.000 0.000 0.322 502 I C 0.912 177.227 176.117 0.330 0.000 1.284 502 I CA 0.613 62.095 61.300 0.304 0.000 1.269 502 I CB -0.120 38.056 38.000 0.294 0.000 1.219 502 I HN 0.402 nan 8.210 nan 0.000 0.436 503 D N 2.650 123.249 120.400 0.330 0.000 2.103 503 D HA -0.191 4.449 4.640 -0.000 0.000 0.190 503 D C 1.822 178.338 176.300 0.360 0.000 0.997 503 D CA 1.844 56.048 54.000 0.339 0.000 0.833 503 D CB -0.282 40.725 40.800 0.345 0.000 0.961 503 D HN 0.316 nan 8.370 nan 0.000 0.447 504 N N -0.398 118.522 118.700 0.366 0.000 2.149 504 N HA -0.178 4.561 4.740 -0.000 0.000 0.188 504 N C 1.664 177.543 175.510 0.614 0.000 1.019 504 N CA 0.876 54.176 53.050 0.416 0.000 0.857 504 N CB -0.518 38.120 38.487 0.251 0.000 0.997 504 N HN 0.486 nan 8.380 nan 0.000 0.426 505 H N 0.498 119.838 119.070 0.449 0.000 2.321 505 H HA 0.017 4.573 4.556 -0.000 0.000 0.300 505 H C 2.061 177.526 175.328 0.229 0.000 1.087 505 H CA 1.016 57.256 56.048 0.319 0.000 1.319 505 H CB 0.041 29.917 29.762 0.191 0.000 1.379 505 H HN 0.080 nan 8.280 nan 0.000 0.501 506 L N 0.250 121.631 121.223 0.263 0.000 2.131 506 L HA -0.176 4.164 4.340 -0.000 0.000 0.210 506 L C 2.630 179.551 176.870 0.085 0.000 1.092 506 L CA 0.422 55.353 54.840 0.152 0.000 0.759 506 L CB -0.255 41.923 42.059 0.199 0.000 0.903 506 L HN 0.329 nan 8.230 nan 0.000 0.435 507 L N 0.319 121.649 121.223 0.179 0.000 1.994 507 L HA -0.163 4.177 4.340 -0.000 0.000 0.208 507 L C 2.655 179.497 176.870 -0.047 0.000 1.071 507 L CA 2.150 57.035 54.840 0.076 0.000 0.745 507 L CB -0.780 41.412 42.059 0.220 0.000 0.892 507 L HN 0.129 nan 8.230 nan 0.000 0.431 508 A N -0.406 122.547 122.820 0.221 0.000 1.908 508 A HA -0.182 4.138 4.320 -0.000 0.000 0.218 508 A C 2.281 179.863 177.584 -0.004 0.000 1.181 508 A CA 2.093 54.276 52.037 0.244 0.000 0.627 508 A CB -1.031 18.368 19.000 0.666 0.000 0.818 508 A HN 0.540 nan 8.150 nan 0.000 0.445 509 L N -1.209 120.038 121.223 0.040 0.000 2.083 509 L HA -0.188 4.152 4.340 -0.000 0.000 0.209 509 L C 2.804 179.562 176.870 -0.186 0.000 1.083 509 L CA 1.706 56.577 54.840 0.052 0.000 0.752 509 L CB -0.488 41.715 42.059 0.240 0.000 0.899 509 L HN 0.474 nan 8.230 nan 0.000 0.433 510 R N 0.123 120.222 120.500 -0.668 0.000 2.070 510 R HA -0.156 4.184 4.340 -0.000 0.000 0.233 510 R C 2.225 178.156 176.300 -0.616 0.000 1.137 510 R CA 1.388 56.746 56.100 -1.236 0.000 0.945 510 R CB 0.036 29.509 30.300 -1.379 0.000 0.845 510 R HN 0.255 nan 8.270 nan 0.000 0.430 511 E N 0.763 120.622 120.200 -0.568 0.000 2.107 511 E HA -0.149 4.201 4.350 -0.000 0.000 0.191 511 E C 2.124 178.521 176.600 -0.339 0.000 0.982 511 E CA 0.775 56.848 56.400 -0.546 0.000 0.809 511 E CB -0.177 28.898 29.700 -1.041 0.000 0.756 511 E HN 0.404 nan 8.360 nan 0.000 0.459 512 L N 0.516 121.589 121.223 -0.250 0.000 2.131 512 L HA -0.150 4.189 4.340 -0.000 0.000 0.210 512 L C 2.433 179.286 176.870 -0.027 0.000 1.092 512 L CA 1.081 55.900 54.840 -0.036 0.000 0.759 512 L CB -0.417 41.669 42.059 0.044 0.000 0.903 512 L HN 0.065 nan 8.230 nan 0.000 0.435 513 A N 0.036 122.825 122.820 -0.053 0.000 1.898 513 A HA -0.236 4.084 4.320 -0.000 0.000 0.216 513 A C 2.394 179.965 177.584 -0.022 0.000 1.181 513 A CA 1.606 53.647 52.037 0.008 0.000 0.620 513 A CB -0.534 18.512 19.000 0.077 0.000 0.819 513 A HN 0.340 nan 8.150 nan 0.000 0.442 514 R N -0.211 120.238 120.500 -0.085 0.000 2.105 514 R HA -0.145 4.194 4.340 -0.000 0.000 0.239 514 R C 2.185 178.466 176.300 -0.031 0.000 1.135 514 R CA 1.550 57.609 56.100 -0.069 0.000 0.967 514 R CB -0.420 29.811 30.300 -0.116 0.000 0.861 514 R HN 0.435 nan 8.270 nan 0.000 0.442 515 A N 0.566 123.372 122.820 -0.023 0.000 1.972 515 A HA -0.168 4.152 4.320 -0.000 0.000 0.219 515 A C 2.154 179.746 177.584 0.015 0.000 1.169 515 A CA 1.609 53.653 52.037 0.011 0.000 0.635 515 A CB -0.371 18.652 19.000 0.039 0.000 0.810 515 A HN 0.384 nan 8.150 nan 0.000 0.446 516 M N -2.320 117.288 119.600 0.013 0.000 2.156 516 M HA 0.018 4.498 4.480 -0.000 0.000 0.264 516 M C 0.735 177.043 176.300 0.014 0.000 1.067 516 M CA 0.736 56.046 55.300 0.017 0.000 1.131 516 M CB 0.027 32.640 32.600 0.022 0.000 1.368 516 M HN 0.493 nan 8.290 nan 0.000 0.416 517 C N -0.506 118.801 119.300 0.011 0.000 2.989 517 C HA 0.600 5.059 4.460 -0.000 0.000 0.397 517 C C 1.290 176.282 174.990 0.003 0.000 1.022 517 C CA -0.800 58.224 59.018 0.010 0.000 1.232 517 C CB 0.834 28.583 27.740 0.015 0.000 1.638 517 C HN 0.541 nan 8.230 nan 0.000 0.534 518 A N 3.408 126.228 122.820 -0.000 0.000 2.084 518 A HA 0.232 4.552 4.320 -0.000 0.000 0.221 518 A C 1.350 178.931 177.584 -0.004 0.000 1.161 518 A CA 1.700 53.733 52.037 -0.006 0.000 0.653 518 A CB -0.381 18.616 19.000 -0.005 0.000 0.802 518 A HN 1.952 nan 8.150 nan 0.000 0.457 519 A N 0.555 123.378 122.820 0.004 0.000 2.539 519 A HA 0.534 4.854 4.320 -0.000 0.000 0.306 519 A C 0.267 177.862 177.584 0.020 0.000 1.392 519 A CA -0.468 51.574 52.037 0.009 0.000 1.060 519 A CB -0.487 18.519 19.000 0.010 0.000 1.134 519 A HN 0.435 nan 8.150 nan 0.000 0.542 520 L N 3.017 124.252 121.223 0.021 0.000 2.499 520 L HA 0.097 4.436 4.340 -0.000 0.000 0.281 520 L C -1.750 175.164 176.870 0.072 0.000 1.234 520 L CA -1.223 53.648 54.840 0.051 0.000 0.839 520 L CB 0.058 42.145 42.059 0.048 0.000 1.104 520 L HN 0.441 nan 8.230 nan 0.000 0.500 521 P HA -0.015 nan 4.420 nan 0.000 0.270 521 P C 0.367 177.631 177.300 -0.061 0.000 1.223 521 P CA -0.235 62.900 63.100 0.058 0.000 0.785 521 P CB 0.525 32.298 31.700 0.122 0.000 0.923 522 E N 1.145 121.293 120.200 -0.086 0.000 2.209 522 E HA -0.248 4.101 4.350 -0.000 0.000 0.196 522 E C 1.609 178.054 176.600 -0.258 0.000 0.993 522 E CA 0.979 57.309 56.400 -0.117 0.000 0.819 522 E CB -0.244 29.409 29.700 -0.078 0.000 0.745 522 E HN 0.292 nan 8.360 nan 0.000 0.477 523 M N -0.403 118.892 119.600 -0.509 0.000 2.195 523 M HA -0.166 4.314 4.480 -0.000 0.000 0.260 523 M C 0.932 176.583 176.300 -1.082 0.000 1.066 523 M CA 1.742 56.464 55.300 -0.964 0.000 1.089 523 M CB -0.153 31.298 32.600 -1.914 0.000 1.377 523 M HN 0.182 nan 8.290 nan 0.000 0.411 524 F N -2.159 117.484 119.950 -0.512 0.000 2.731 524 F HA 0.184 4.711 4.527 -0.000 0.000 0.298 524 F C 1.578 177.291 175.800 -0.145 0.000 1.106 524 F CA -0.225 57.434 58.000 -0.570 0.000 1.329 524 F CB -0.156 38.474 39.000 -0.615 0.000 1.100 524 F HN 0.030 nan 8.300 nan 0.000 0.592 525 M N -0.435 119.174 119.600 0.016 0.000 2.514 525 M HA 0.039 4.518 4.480 -0.000 0.000 0.258 525 M C 0.087 176.417 176.300 0.049 0.000 1.119 525 M CA 0.529 55.859 55.300 0.050 0.000 1.111 525 M CB -0.757 31.852 32.600 0.015 0.000 1.390 525 M HN -0.072 nan 8.290 nan 0.000 0.475 526 D N 2.043 122.456 120.400 0.022 0.000 2.531 526 D HA -0.104 4.536 4.640 -0.000 0.000 0.239 526 D C 1.035 177.393 176.300 0.096 0.000 1.144 526 D CA 0.503 54.526 54.000 0.037 0.000 0.869 526 D CB 0.978 41.785 40.800 0.012 0.000 1.160 526 D HN 0.054 nan 8.370 nan 0.000 0.484 527 E N 2.094 122.327 120.200 0.055 0.000 2.209 527 E HA -0.163 4.186 4.350 -0.000 0.000 0.196 527 E C 1.464 178.096 176.600 0.055 0.000 0.993 527 E CA 1.537 57.963 56.400 0.044 0.000 0.819 527 E CB -0.069 29.642 29.700 0.019 0.000 0.745 527 E HN 0.572 nan 8.360 nan 0.000 0.477 528 T N -0.544 114.060 114.554 0.082 0.000 2.788 528 T HA -0.159 4.191 4.350 -0.000 0.000 0.268 528 T C 1.445 176.252 174.700 0.179 0.000 1.044 528 T CA 1.367 63.525 62.100 0.096 0.000 1.139 528 T CB -0.531 68.386 68.868 0.082 0.000 0.867 528 T HN 0.389 nan 8.240 nan 0.000 0.454 529 Y N 1.689 122.073 120.300 0.140 0.000 2.163 529 Y HA -0.044 4.506 4.550 -0.000 0.000 0.288 529 Y C 2.030 177.966 175.900 0.060 0.000 1.136 529 Y CA 1.108 59.304 58.100 0.160 0.000 1.147 529 Y CB -0.330 38.173 38.460 0.073 0.000 0.987 529 Y HN 0.076 nan 8.280 nan 0.000 0.509 530 L N -0.348 120.855 121.223 -0.032 0.000 2.012 530 L HA -0.298 4.042 4.340 -0.000 0.000 0.210 530 L C 2.492 179.238 176.870 -0.207 0.000 1.073 530 L CA 1.831 56.582 54.840 -0.148 0.000 0.748 530 L CB -0.650 41.391 42.059 -0.031 0.000 0.891 530 L HN 0.359 nan 8.230 nan 0.000 0.431 531 M N -0.216 119.309 119.600 -0.126 0.000 2.229 531 M HA -0.153 4.327 4.480 -0.000 0.000 0.264 531 M C 2.556 178.738 176.300 -0.196 0.000 1.063 531 M CA 1.884 57.102 55.300 -0.137 0.000 1.114 531 M CB -0.414 32.143 32.600 -0.071 0.000 1.387 531 M HN 0.393 nan 8.290 nan 0.000 0.420 532 S N 0.212 115.812 115.700 -0.167 0.000 2.442 532 S HA -0.079 4.390 4.470 -0.000 0.000 0.236 532 S C 1.250 175.633 174.600 -0.361 0.000 1.007 532 S CA 1.046 59.162 58.200 -0.139 0.000 0.965 532 S CB -0.405 62.832 63.200 0.062 0.000 0.773 532 S HN 0.454 nan 8.310 nan 0.000 0.504 533 N N 1.117 119.475 118.700 -0.569 0.000 2.214 533 N HA 0.217 4.956 4.740 -0.000 0.000 0.214 533 N C -0.549 174.302 175.510 -1.097 0.000 1.132 533 N CA 0.019 52.519 53.050 -0.917 0.000 0.856 533 N CB 0.375 38.514 38.487 -0.580 0.000 1.020 533 N HN 0.462 nan 8.380 nan 0.000 0.509 534 R N 0.628 120.650 120.500 -0.797 0.000 2.471 534 R HA 0.254 4.594 4.340 -0.000 0.000 0.292 534 R C -0.742 175.298 176.300 -0.434 0.000 1.192 534 R CA -0.512 55.282 56.100 -0.511 0.000 1.257 534 R CB -0.127 30.010 30.300 -0.272 0.000 1.130 534 R HN -0.091 nan 8.270 nan 0.000 0.558 535 F N 2.310 122.229 119.950 -0.052 0.000 2.600 535 F HA 0.026 4.553 4.527 -0.000 0.000 0.345 535 F C 1.565 177.349 175.800 -0.027 0.000 1.271 535 F CA -0.522 57.463 58.000 -0.024 0.000 1.138 535 F CB 0.141 39.148 39.000 0.012 0.000 1.449 535 F HN 0.214 nan 8.300 nan 0.000 0.645 536 V N 2.372 122.330 119.914 0.073 0.000 2.720 536 V HA -0.183 3.937 4.120 -0.000 0.000 0.256 536 V C 0.990 177.134 176.094 0.083 0.000 1.082 536 V CA 1.053 63.379 62.300 0.043 0.000 1.101 536 V CB -0.371 31.453 31.823 0.001 0.000 0.693 536 V HN 0.521 nan 8.190 nan 0.000 0.479 537 L N 0.509 121.769 121.223 0.063 0.000 2.377 537 L HA 0.488 4.828 4.340 -0.000 0.000 0.270 537 L C -0.579 176.402 176.870 0.185 0.000 0.991 537 L CA 0.069 54.969 54.840 0.101 0.000 0.851 537 L CB 1.688 43.718 42.059 -0.049 0.000 1.218 537 L HN 0.126 nan 8.230 nan 0.000 0.420 538 S N 2.758 118.592 115.700 0.223 0.000 2.449 538 S HA 0.781 5.251 4.470 -0.000 0.000 0.310 538 S C -0.219 174.587 174.600 0.344 0.000 1.096 538 S CA -0.265 58.077 58.200 0.236 0.000 1.095 538 S CB 1.217 64.490 63.200 0.120 0.000 1.007 538 S HN 0.758 nan 8.310 nan 0.000 0.474 539 T N 0.752 115.531 114.554 0.374 0.000 2.838 539 T HA 0.897 5.247 4.350 -0.000 0.000 0.292 539 T C -0.735 174.208 174.700 0.405 0.000 1.113 539 T CA -0.501 61.871 62.100 0.453 0.000 1.008 539 T CB 1.455 70.594 68.868 0.452 0.000 1.259 539 T HN 1.156 nan 8.240 nan 0.000 0.520 540 S N -0.280 115.631 115.700 0.352 0.000 2.614 540 S HA 0.394 4.864 4.470 -0.000 0.000 0.280 540 S C -1.714 172.699 174.600 -0.312 0.000 1.111 540 S CA -0.990 57.292 58.200 0.136 0.000 0.847 540 S CB 1.488 64.843 63.200 0.258 0.000 1.079 540 S HN 1.109 nan 8.310 nan 0.000 0.452 541 Q N 1.301 120.843 119.800 -0.430 0.000 2.307 541 Q HA 0.642 4.981 4.340 -0.000 0.000 0.262 541 Q C -1.577 174.276 176.000 -0.246 0.000 0.961 541 Q CA -0.762 54.598 55.803 -0.739 0.000 0.882 541 Q CB 1.549 30.005 28.738 -0.469 0.000 1.264 541 Q HN 0.698 nan 8.270 nan 0.000 0.446 542 V N 7.579 127.383 119.914 -0.183 0.000 2.320 542 V HA 0.327 4.447 4.120 -0.000 0.000 0.268 542 V C -2.220 173.870 176.094 -0.006 0.000 1.021 542 V CA -1.341 60.943 62.300 -0.026 0.000 0.813 542 V CB 1.026 32.878 31.823 0.048 0.000 1.054 542 V HN 0.729 nan 8.190 nan 0.000 0.444 543 P HA 0.358 nan 4.420 nan 0.000 0.279 543 P C -0.293 177.036 177.300 0.049 0.000 1.239 543 P CA 0.255 63.372 63.100 0.028 0.000 0.789 543 P CB 1.585 33.305 31.700 0.033 0.000 0.933 544 T N -2.305 112.284 114.554 0.058 0.000 2.906 544 T HA 0.366 4.716 4.350 -0.000 0.000 0.295 544 T C 0.572 175.306 174.700 0.057 0.000 1.075 544 T CA -0.456 61.684 62.100 0.066 0.000 1.005 544 T CB 1.488 70.409 68.868 0.089 0.000 1.136 544 T HN 0.331 nan 8.240 nan 0.000 0.498 545 T N 0.233 114.817 114.554 0.050 0.000 2.990 545 T HA 0.279 4.629 4.350 -0.000 0.000 0.250 545 T C 0.683 175.405 174.700 0.038 0.000 1.041 545 T CA 0.529 62.652 62.100 0.039 0.000 1.010 545 T CB -0.196 68.691 68.868 0.031 0.000 1.003 545 T HN 0.776 nan 8.240 nan 0.000 0.499 546 T N 1.513 116.093 114.554 0.043 0.000 2.849 546 T HA 0.323 4.673 4.350 -0.000 0.000 0.276 546 T C 0.027 174.771 174.700 0.072 0.000 0.971 546 T CA -0.653 61.471 62.100 0.041 0.000 0.949 546 T CB 1.224 70.104 68.868 0.021 0.000 1.093 546 T HN 0.167 nan 8.240 nan 0.000 0.545 547 E N 1.589 121.838 120.200 0.082 0.000 2.232 547 E HA 0.254 4.604 4.350 -0.000 0.000 0.296 547 E C -0.377 176.329 176.600 0.177 0.000 1.372 547 E CA -0.301 56.171 56.400 0.120 0.000 1.527 547 E CB -0.487 29.274 29.700 0.103 0.000 1.424 547 E HN 0.453 nan 8.360 nan 0.000 0.485 548 M N 0.148 119.864 119.600 0.193 0.000 2.667 548 M HA 0.674 5.154 4.480 -0.000 0.000 0.286 548 M C -1.147 175.315 176.300 0.269 0.000 1.270 548 M CA -1.180 54.239 55.300 0.199 0.000 0.826 548 M CB 1.815 34.537 32.600 0.203 0.000 1.743 548 M HN 0.024 nan 8.290 nan 0.000 0.460 549 F N -1.022 119.001 119.950 0.121 0.000 2.654 549 F HA 0.817 5.344 4.527 -0.000 0.000 0.308 549 F C -1.591 174.256 175.800 0.079 0.000 1.108 549 F CA -1.229 56.822 58.000 0.085 0.000 0.957 549 F CB 0.943 39.988 39.000 0.074 0.000 1.309 549 F HN 0.958 nan 8.300 nan 0.000 0.446 550 C N 2.584 122.038 119.300 0.257 0.000 2.391 550 C HA 0.946 5.406 4.460 -0.000 0.000 0.339 550 C C -0.094 175.006 174.990 0.183 0.000 1.205 550 C CA -0.345 58.761 59.018 0.147 0.000 1.937 550 C CB -0.022 27.795 27.740 0.129 0.000 2.341 550 C HN 1.283 nan 8.230 nan 0.000 0.516 551 C N 4.031 123.377 119.300 0.078 0.000 3.288 551 C HA 0.995 5.455 4.460 -0.000 0.000 0.318 551 C C -1.433 173.492 174.990 -0.108 0.000 1.356 551 C CA -0.741 58.238 59.018 -0.065 0.000 1.359 551 C CB 0.842 28.684 27.740 0.170 0.000 1.688 551 C HN 1.176 nan 8.230 nan 0.000 0.467 552 Y N -0.853 119.509 120.300 0.104 0.000 2.702 552 Y HA 0.781 5.331 4.550 -0.000 0.000 0.336 552 Y C -0.032 175.900 175.900 0.054 0.000 1.203 552 Y CA -0.619 57.511 58.100 0.051 0.000 1.072 552 Y CB 0.126 38.648 38.460 0.104 0.000 1.327 552 Y HN 1.308 nan 8.280 nan 0.000 0.456 553 G N 0.526 109.491 108.800 0.275 0.000 2.588 553 G HA2 0.597 4.556 3.960 -0.000 0.000 0.281 553 G HA3 0.597 4.556 3.960 -0.000 0.000 0.281 553 G C -2.913 172.072 174.900 0.143 0.000 1.236 553 G CA -1.810 43.365 45.100 0.125 0.000 0.969 553 G HN 0.484 nan 8.290 nan 0.000 0.504 554 P HA 0.193 nan 4.420 nan 0.000 0.275 554 P C 0.917 178.270 177.300 0.088 0.000 1.266 554 P CA -0.200 62.864 63.100 -0.060 0.000 0.793 554 P CB 1.049 32.527 31.700 -0.370 0.000 1.074 555 V N -2.321 117.646 119.914 0.088 0.000 3.605 555 V HA 0.230 4.350 4.120 -0.000 0.000 0.284 555 V C 0.357 176.497 176.094 0.078 0.000 1.386 555 V CA 0.165 62.502 62.300 0.060 0.000 1.053 555 V CB -0.224 31.587 31.823 -0.020 0.000 0.857 555 V HN 0.327 nan 8.190 nan 0.000 0.436 556 V N -4.991 115.000 119.914 0.128 0.000 2.925 556 V HA 0.651 4.771 4.120 -0.000 0.000 0.311 556 V C -2.007 174.214 176.094 0.211 0.000 1.104 556 V CA -1.898 60.458 62.300 0.093 0.000 0.954 556 V CB 1.348 33.179 31.823 0.015 0.000 1.022 556 V HN -0.023 nan 8.190 nan 0.000 0.427 557 P HA -0.150 nan 4.420 nan 0.000 0.217 557 P C 0.737 178.150 177.300 0.189 0.000 1.151 557 P CA 1.983 65.148 63.100 0.108 0.000 0.849 557 P CB -0.041 31.623 31.700 -0.060 0.000 0.787 558 N N -1.131 117.606 118.700 0.061 0.000 2.320 558 N HA 0.146 4.885 4.740 -0.000 0.000 0.237 558 N C 0.438 175.893 175.510 -0.093 0.000 1.129 558 N CA -0.071 52.966 53.050 -0.023 0.000 0.854 558 N CB -0.165 38.299 38.487 -0.037 0.000 1.083 558 N HN -0.014 nan 8.380 nan 0.000 0.504 559 G N -0.764 107.985 108.800 -0.084 0.000 3.013 559 G HA2 0.601 4.561 3.960 -0.000 0.000 0.278 559 G HA3 0.601 4.561 3.960 -0.000 0.000 0.278 559 G C -1.577 173.106 174.900 -0.361 0.000 1.353 559 G CA -0.572 44.448 45.100 -0.134 0.000 1.043 559 G HN 0.120 nan 8.290 nan 0.000 0.523 560 Y N -1.454 118.804 120.300 -0.069 0.000 2.587 560 Y HA 0.616 5.166 4.550 -0.000 0.000 0.337 560 Y C 0.710 176.595 175.900 -0.024 0.000 1.065 560 Y CA -0.523 57.489 58.100 -0.146 0.000 1.126 560 Y CB 2.633 40.882 38.460 -0.351 0.000 1.279 560 Y HN 0.662 nan 8.280 nan 0.000 0.489 561 G N 0.449 109.373 108.800 0.208 0.000 2.814 561 G HA2 0.591 4.551 3.960 -0.000 0.000 0.300 561 G HA3 0.591 4.551 3.960 -0.000 0.000 0.300 561 G C -1.469 173.598 174.900 0.278 0.000 1.406 561 G CA -0.624 44.663 45.100 0.310 0.000 1.041 561 G HN 0.749 nan 8.290 nan 0.000 0.532 562 A N 1.780 124.811 122.820 0.351 0.000 2.293 562 A HA 0.575 4.895 4.320 -0.000 0.000 0.312 562 A C -0.308 177.506 177.584 0.383 0.000 1.309 562 A CA -0.571 51.686 52.037 0.367 0.000 0.839 562 A CB 0.675 19.957 19.000 0.471 0.000 1.155 562 A HN 0.924 nan 8.150 nan 0.000 0.501 563 C N 4.835 124.235 119.300 0.167 0.000 2.298 563 C HA 0.826 5.286 4.460 -0.000 0.000 0.323 563 C C -0.760 174.319 174.990 0.147 0.000 1.284 563 C CA -0.777 58.283 59.018 0.070 0.000 1.577 563 C CB -0.782 26.806 27.740 -0.254 0.000 2.249 563 C HN 0.769 nan 8.230 nan 0.000 0.497 564 Y N 3.807 124.126 120.300 0.033 0.000 2.509 564 Y HA 0.656 5.206 4.550 -0.000 0.000 0.341 564 Y C -0.214 175.609 175.900 -0.129 0.000 1.038 564 Y CA -1.606 56.375 58.100 -0.198 0.000 1.089 564 Y CB 0.737 38.930 38.460 -0.444 0.000 1.241 564 Y HN 0.567 nan 8.280 nan 0.000 0.468 565 N N 3.638 122.294 118.700 -0.074 0.000 2.617 565 N HA 0.346 5.086 4.740 -0.000 0.000 0.263 565 N C -3.397 172.094 175.510 -0.030 0.000 1.074 565 N CA -2.136 50.895 53.050 -0.031 0.000 0.841 565 N CB 1.944 40.438 38.487 0.012 0.000 1.221 565 N HN 0.503 nan 8.380 nan 0.000 0.529 566 P HA 0.255 nan 4.420 nan 0.000 0.286 566 P C -0.743 176.581 177.300 0.039 0.000 1.269 566 P CA -0.272 62.850 63.100 0.037 0.000 0.787 566 P CB 1.653 33.415 31.700 0.103 0.000 0.920 567 Q N 3.527 123.346 119.800 0.032 0.000 2.333 567 Q HA 0.350 4.690 4.340 -0.000 0.000 0.266 567 Q C -1.789 174.240 176.000 0.049 0.000 1.053 567 Q CA -2.057 53.766 55.803 0.034 0.000 0.890 567 Q CB 0.172 28.921 28.738 0.019 0.000 1.337 567 Q HN 0.192 nan 8.270 nan 0.000 0.474 568 P HA -0.153 nan 4.420 nan 0.000 0.216 568 P C 0.440 177.784 177.300 0.074 0.000 1.153 568 P CA 1.592 64.724 63.100 0.053 0.000 0.858 568 P CB 0.477 32.200 31.700 0.038 0.000 0.789 569 E N -1.797 118.435 120.200 0.054 0.000 2.562 569 E HA 0.124 4.474 4.350 -0.000 0.000 0.214 569 E C 0.755 177.365 176.600 0.016 0.000 0.979 569 E CA 0.501 56.934 56.400 0.055 0.000 1.002 569 E CB 0.341 30.054 29.700 0.022 0.000 1.048 569 E HN 0.325 nan 8.360 nan 0.000 0.488 570 T N -2.040 112.520 114.554 0.010 0.000 2.812 570 T HA 0.763 5.113 4.350 -0.000 0.000 0.294 570 T C -0.524 174.189 174.700 0.022 0.000 1.159 570 T CA -0.786 61.296 62.100 -0.030 0.000 1.008 570 T CB 1.661 70.479 68.868 -0.084 0.000 1.289 570 T HN -0.058 nan 8.240 nan 0.000 0.514 571 I N 1.240 121.830 120.570 0.033 0.000 2.548 571 I HA 0.403 4.573 4.170 -0.000 0.000 0.287 571 I C -1.369 174.642 176.117 -0.176 0.000 1.103 571 I CA -0.982 60.280 61.300 -0.063 0.000 1.049 571 I CB 2.078 40.052 38.000 -0.044 0.000 1.232 571 I HN 0.556 nan 8.210 nan 0.000 0.429 572 L N 6.681 127.756 121.223 -0.246 0.000 2.292 572 L HA 0.549 4.888 4.340 -0.000 0.000 0.284 572 L C -1.415 175.259 176.870 -0.328 0.000 1.065 572 L CA 0.416 55.121 54.840 -0.225 0.000 0.806 572 L CB 0.593 42.553 42.059 -0.165 0.000 1.175 572 L HN 0.285 nan 8.230 nan 0.000 0.431 573 F N 3.863 123.796 119.950 -0.028 0.000 2.460 573 F HA 0.382 4.909 4.527 -0.000 0.000 0.341 573 F C -0.270 175.530 175.800 -0.001 0.000 1.130 573 F CA -0.422 57.622 58.000 0.073 0.000 0.962 573 F CB 1.416 40.507 39.000 0.152 0.000 1.171 573 F HN 0.315 nan 8.300 nan 0.000 0.436 574 C N 5.715 125.124 119.300 0.182 0.000 2.251 574 C HA 0.652 5.112 4.460 -0.000 0.000 0.323 574 C C 0.141 175.209 174.990 0.130 0.000 1.241 574 C CA -0.938 58.123 59.018 0.072 0.000 1.601 574 C CB -0.813 27.082 27.740 0.257 0.000 2.251 574 C HN 0.576 nan 8.230 nan 0.000 0.488 575 I N 3.971 124.516 120.570 -0.041 0.000 2.406 575 I HA 0.472 4.642 4.170 -0.000 0.000 0.290 575 I C 0.262 176.440 176.117 0.101 0.000 0.999 575 I CA 0.309 61.668 61.300 0.098 0.000 1.124 575 I CB 1.631 39.725 38.000 0.156 0.000 1.289 575 I HN 0.685 nan 8.210 nan 0.000 0.441 576 S N 4.008 119.845 115.700 0.228 0.000 2.568 576 S HA 0.935 5.405 4.470 -0.000 0.000 0.293 576 S C -0.508 174.079 174.600 -0.021 0.000 1.089 576 S CA -0.557 57.758 58.200 0.192 0.000 0.945 576 S CB 2.137 65.463 63.200 0.209 0.000 1.077 576 S HN 0.750 nan 8.310 nan 0.000 0.485 577 S N 0.537 116.098 115.700 -0.233 0.000 2.636 577 S HA 0.691 5.161 4.470 -0.000 0.000 0.266 577 S C -1.663 172.623 174.600 -0.524 0.000 1.147 577 S CA -1.122 56.784 58.200 -0.491 0.000 0.815 577 S CB 0.115 63.047 63.200 -0.447 0.000 1.119 577 S HN 0.652 nan 8.310 nan 0.000 0.470 578 F N 1.121 120.975 119.950 -0.159 0.000 2.427 578 F HA 0.465 4.992 4.527 -0.000 0.000 0.346 578 F C 1.587 177.340 175.800 -0.079 0.000 1.120 578 F CA -0.679 57.255 58.000 -0.110 0.000 1.033 578 F CB 1.116 40.076 39.000 -0.067 0.000 1.126 578 F HN 0.808 nan 8.300 nan 0.000 0.462 579 H N 0.015 119.202 119.070 0.194 0.000 2.489 579 H HA -0.171 4.384 4.556 -0.000 0.000 0.295 579 H C 2.273 177.649 175.328 0.080 0.000 1.082 579 H CA 1.373 57.487 56.048 0.109 0.000 1.295 579 H CB 0.322 30.143 29.762 0.098 0.000 1.380 579 H HN 0.616 nan 8.280 nan 0.000 0.548 580 S N -0.138 115.683 115.700 0.203 0.000 2.419 580 S HA -0.139 4.331 4.470 -0.000 0.000 0.233 580 S C 1.043 175.682 174.600 0.065 0.000 1.016 580 S CA 0.471 58.727 58.200 0.094 0.000 0.974 580 S CB -0.365 62.847 63.200 0.021 0.000 0.786 580 S HN 0.487 nan 8.310 nan 0.000 0.492 581 C N 2.441 121.789 119.300 0.080 0.000 2.256 581 C HA 0.767 5.227 4.460 -0.000 0.000 0.333 581 C C 1.786 176.793 174.990 0.028 0.000 1.183 581 C CA -0.656 58.381 59.018 0.032 0.000 1.692 581 C CB -0.515 27.229 27.740 0.007 0.000 2.274 581 C HN 0.550 nan 8.230 nan 0.000 0.509 582 A N 4.610 127.445 122.820 0.025 0.000 2.076 582 A HA 0.071 4.390 4.320 -0.000 0.000 0.220 582 A C 2.213 179.816 177.584 0.031 0.000 1.160 582 A CA 2.010 54.067 52.037 0.033 0.000 0.653 582 A CB -0.400 18.614 19.000 0.023 0.000 0.801 582 A HN 1.303 nan 8.150 nan 0.000 0.455 583 A N -0.169 122.653 122.820 0.003 0.000 1.854 583 A HA 0.134 4.454 4.320 -0.000 0.000 0.214 583 A C 1.743 179.361 177.584 0.056 0.000 1.192 583 A CA 1.566 53.605 52.037 0.003 0.000 0.611 583 A CB -1.319 17.630 19.000 -0.086 0.000 0.832 583 A HN 0.681 nan 8.150 nan 0.000 0.442 584 T N -1.825 112.690 114.554 -0.065 0.000 2.860 584 T HA 0.465 4.814 4.350 -0.000 0.000 0.299 584 T C -0.110 174.634 174.700 0.074 0.000 1.045 584 T CA 0.324 62.365 62.100 -0.099 0.000 1.071 584 T CB 1.250 69.766 68.868 -0.587 0.000 0.985 584 T HN 0.730 nan 8.240 nan 0.000 0.537 585 S N 0.455 116.303 115.700 0.246 0.000 2.599 585 S HA 0.339 4.809 4.470 -0.000 0.000 0.269 585 S C 0.825 175.622 174.600 0.329 0.000 1.135 585 S CA -0.625 57.707 58.200 0.220 0.000 1.027 585 S CB 0.947 64.246 63.200 0.165 0.000 1.129 585 S HN 0.692 nan 8.310 nan 0.000 0.458 586 S N 2.985 118.823 115.700 0.230 0.000 2.382 586 S HA -0.075 4.394 4.470 -0.000 0.000 0.228 586 S C 1.946 176.612 174.600 0.109 0.000 1.027 586 S CA 1.697 60.023 58.200 0.211 0.000 0.991 586 S CB -0.217 63.038 63.200 0.092 0.000 0.823 586 S HN 0.724 nan 8.310 nan 0.000 0.469 587 S N 1.355 117.092 115.700 0.062 0.000 2.355 587 S HA -0.022 4.447 4.470 -0.000 0.000 0.222 587 S C 1.852 176.417 174.600 -0.057 0.000 1.031 587 S CA 0.981 59.173 58.200 -0.015 0.000 0.993 587 S CB -0.144 63.056 63.200 0.001 0.000 0.859 587 S HN 0.466 nan 8.310 nan 0.000 0.453 588 K N -0.044 120.352 120.400 -0.006 0.000 2.148 588 K HA -0.004 4.316 4.320 -0.000 0.000 0.204 588 K C 1.780 178.315 176.600 -0.109 0.000 1.050 588 K CA 0.940 57.189 56.287 -0.062 0.000 0.942 588 K CB -0.212 32.270 32.500 -0.031 0.000 0.724 588 K HN 0.298 nan 8.250 nan 0.000 0.446 589 F N 1.592 121.419 119.950 -0.205 0.000 2.163 589 F HA -0.087 4.440 4.527 -0.000 0.000 0.297 589 F C 2.160 177.747 175.800 -0.355 0.000 1.094 589 F CA 1.072 58.862 58.000 -0.350 0.000 1.290 589 F CB -0.258 38.405 39.000 -0.562 0.000 1.017 589 F HN -0.057 nan 8.300 nan 0.000 0.483 590 A N -0.094 122.579 122.820 -0.244 0.000 1.933 590 A HA -0.231 4.088 4.320 -0.000 0.000 0.218 590 A C 2.112 179.293 177.584 -0.671 0.000 1.175 590 A CA 1.935 53.699 52.037 -0.455 0.000 0.628 590 A CB -0.691 18.090 19.000 -0.366 0.000 0.814 590 A HN 0.344 nan 8.150 nan 0.000 0.444 591 K N 0.197 120.302 120.400 -0.491 0.000 2.103 591 K HA 0.126 4.446 4.320 -0.000 0.000 0.204 591 K C 1.914 178.279 176.600 -0.393 0.000 1.052 591 K CA 1.476 57.510 56.287 -0.421 0.000 0.945 591 K CB -0.544 31.792 32.500 -0.274 0.000 0.722 591 K HN 0.292 nan 8.250 nan 0.000 0.443 592 A N 0.051 122.605 122.820 -0.443 0.000 1.969 592 A HA -0.055 4.265 4.320 -0.000 0.000 0.218 592 A C 2.248 179.523 177.584 -0.516 0.000 1.169 592 A CA 1.561 53.330 52.037 -0.446 0.000 0.635 592 A CB -0.614 18.083 19.000 -0.506 0.000 0.810 592 A HN 0.115 nan 8.150 nan 0.000 0.445 593 V N 0.013 119.507 119.914 -0.701 0.000 2.295 593 V HA -0.268 3.852 4.120 -0.000 0.000 0.246 593 V C 2.520 178.310 176.094 -0.507 0.000 1.049 593 V CA 2.292 64.163 62.300 -0.716 0.000 1.024 593 V CB -0.642 30.599 31.823 -0.972 0.000 0.648 593 V HN 0.782 nan 8.190 nan 0.000 0.447 594 E N 0.199 120.169 120.200 -0.383 0.000 2.058 594 E HA -0.272 4.078 4.350 -0.000 0.000 0.194 594 E C 2.176 178.724 176.600 -0.086 0.000 0.997 594 E CA 1.772 58.103 56.400 -0.115 0.000 0.801 594 E CB -0.090 29.585 29.700 -0.042 0.000 0.746 594 E HN 0.718 nan 8.360 nan 0.000 0.450 595 E N -0.018 120.097 120.200 -0.142 0.000 2.110 595 E HA -0.133 4.217 4.350 -0.000 0.000 0.193 595 E C 2.265 178.817 176.600 -0.080 0.000 0.988 595 E CA 1.182 57.530 56.400 -0.087 0.000 0.804 595 E CB 0.014 29.646 29.700 -0.113 0.000 0.745 595 E HN 0.142 nan 8.360 nan 0.000 0.458 596 S N 1.067 116.675 115.700 -0.152 0.000 2.368 596 S HA -0.077 4.393 4.470 -0.000 0.000 0.224 596 S C 2.047 176.614 174.600 -0.055 0.000 1.029 596 S CA 0.712 58.843 58.200 -0.114 0.000 0.988 596 S CB -0.131 62.964 63.200 -0.175 0.000 0.838 596 S HN 0.174 nan 8.310 nan 0.000 0.462 597 L N 1.015 122.156 121.223 -0.137 0.000 2.093 597 L HA -0.079 4.261 4.340 -0.000 0.000 0.208 597 L C 2.120 179.131 176.870 0.235 0.000 1.085 597 L CA 0.698 55.508 54.840 -0.050 0.000 0.755 597 L CB -0.500 41.112 42.059 -0.744 0.000 0.904 597 L HN 0.294 nan 8.230 nan 0.000 0.435 598 I N -0.177 120.500 120.570 0.177 0.000 2.202 598 I HA -0.246 3.923 4.170 -0.000 0.000 0.242 598 I C 2.167 178.388 176.117 0.173 0.000 1.091 598 I CA 1.404 62.846 61.300 0.237 0.000 1.368 598 I CB -1.110 36.989 38.000 0.165 0.000 1.058 598 I HN 0.251 nan 8.210 nan 0.000 0.410 599 D N 0.598 121.065 120.400 0.112 0.000 2.123 599 D HA -0.188 4.452 4.640 -0.000 0.000 0.196 599 D C 2.364 178.755 176.300 0.152 0.000 0.992 599 D CA 1.303 55.362 54.000 0.100 0.000 0.833 599 D CB -0.158 40.672 40.800 0.050 0.000 0.954 599 D HN 0.291 nan 8.370 nan 0.000 0.455 600 M N -0.212 119.498 119.600 0.183 0.000 2.175 600 M HA -0.091 4.388 4.480 -0.000 0.000 0.264 600 M C 2.275 178.761 176.300 0.311 0.000 1.063 600 M CA 0.919 56.340 55.300 0.203 0.000 1.119 600 M CB -0.018 32.607 32.600 0.042 0.000 1.377 600 M HN -0.084 nan 8.290 nan 0.000 0.415 601 R N 0.787 121.487 120.500 0.333 0.000 2.070 601 R HA -0.176 4.164 4.340 -0.000 0.000 0.233 601 R C 1.416 177.823 176.300 0.178 0.000 1.137 601 R CA 2.073 58.290 56.100 0.195 0.000 0.945 601 R CB -0.273 29.988 30.300 -0.065 0.000 0.845 601 R HN 0.275 nan 8.270 nan 0.000 0.430 602 D N 0.843 121.326 120.400 0.137 0.000 2.149 602 D HA -0.172 4.468 4.640 -0.000 0.000 0.198 602 D C 2.037 178.410 176.300 0.122 0.000 0.990 602 D CA 1.088 55.154 54.000 0.109 0.000 0.839 602 D CB -0.219 40.634 40.800 0.088 0.000 0.948 602 D HN 0.295 nan 8.370 nan 0.000 0.460 603 L N 0.061 121.369 121.223 0.142 0.000 2.046 603 L HA -0.163 4.177 4.340 -0.000 0.000 0.208 603 L C 2.414 179.359 176.870 0.125 0.000 1.077 603 L CA 0.840 55.758 54.840 0.129 0.000 0.747 603 L CB -0.347 41.801 42.059 0.149 0.000 0.896 603 L HN 0.125 nan 8.230 nan 0.000 0.432 604 C N -1.013 118.391 119.300 0.172 0.000 2.456 604 C HA -0.037 4.423 4.460 -0.000 0.000 0.279 604 C C 2.436 177.511 174.990 0.141 0.000 1.427 604 C CA 0.431 59.542 59.018 0.155 0.000 1.778 604 C CB -0.740 27.131 27.740 0.217 0.000 1.842 604 C HN 0.397 nan 8.230 nan 0.000 0.531 605 S N 0.606 116.405 115.700 0.164 0.000 2.660 605 S HA 0.269 4.739 4.470 -0.000 0.000 0.227 605 S C 0.591 175.240 174.600 0.082 0.000 0.948 605 S CA -0.006 58.274 58.200 0.133 0.000 0.948 605 S CB -0.123 63.161 63.200 0.139 0.000 0.779 605 S HN 0.492 nan 8.310 nan 0.000 0.487 606 L N 0.502 121.768 121.223 0.071 0.000 2.600 606 L HA 0.441 4.781 4.340 -0.000 0.000 0.221 606 L C 0.370 177.263 176.870 0.038 0.000 1.197 606 L CA -0.708 54.162 54.840 0.051 0.000 0.838 606 L CB 0.172 42.261 42.059 0.049 0.000 1.474 606 L HN 0.192 nan 8.230 nan 0.000 0.514 607 L N -0.180 121.061 121.223 0.030 0.000 2.440 607 L HA 0.484 4.824 4.340 -0.000 0.000 0.262 607 L C -1.789 175.092 176.870 0.018 0.000 1.072 607 L CA -0.776 54.077 54.840 0.021 0.000 0.798 607 L CB 0.267 42.338 42.059 0.019 0.000 1.307 607 L HN 0.414 nan 8.230 nan 0.000 0.475 608 P HA 0.517 nan 4.420 nan 0.000 0.288 608 P C -2.527 174.779 177.300 0.010 0.000 1.333 608 P CA 0.125 63.231 63.100 0.009 0.000 0.806 608 P CB -0.879 30.824 31.700 0.006 0.000 2.004 609 P HA 0.000 nan 4.420 nan 0.000 0.216 609 P CA 0.000 63.105 63.100 0.007 0.000 0.800 609 P CB 0.000 31.704 31.700 0.006 0.000 0.726