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 1q15_1_B DATA FIRST_RESID 2 DATA SEQUENCE SNSFCVVYKG SDTDINNIQR DFDGKGEALS NGYLFIEQNG HYQKCEMERG DATA SEQUENCE TAYLIGSLYN RTFLIGLAGV WEGEAYLAND AELLALLFTR LGANALALAE DATA SEQUENCE GDFCFFIDEP NGELTVITES RGFSPVHVVQ GKKAWMTNSL KLVTAAEGEG DATA SEQUENCE ALWFEEEALV CQSLMRADTY TPVKNAQRLK PGAVHVLTHD SEGYSFVESR DATA SEQUENCE TLTTPASNQL LALPREPLLA LIDRYLNAPL EDLAPRFDTV GIPLSGGLDS DATA SEQUENCE SLVTALASRH FKKLNTYSIG TELSNEFEFS QQVADALGTH HQMKILSETE DATA SEQUENCE VINGIIESIY YNEIFDGLSA EIQSGLFNVY RQAQGQVSCM LTGYGSDLLF DATA SEQUENCE GGILKPGAQY DNPNQLLAEQ VYRTRWTGEF ATHGASCYGI DIRHPFWSHS DATA SEQUENCE LISLCHALHP DYKIFDNEVK NILREYADSL QLLPKDIVWR XXXXXXXXXS DATA SEQUENCE VNQAFANVLG STVDNYQTKS RFTYRVYQAF LRGRLSITDV TPSQLKDLIK 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 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.640 174.600 0.067 0.000 1.055 2 S CA 0.000 58.263 58.200 0.104 0.000 1.107 2 S CB 0.000 63.301 63.200 0.168 0.000 0.593 3 N N 0.506 119.280 118.700 0.123 0.000 2.365 3 N HA 0.347 5.087 4.740 -0.000 0.000 0.257 3 N C -0.535 175.095 175.510 0.200 0.000 1.287 3 N CA -0.222 52.907 53.050 0.131 0.000 0.882 3 N CB 0.491 39.077 38.487 0.165 0.000 1.250 3 N HN 0.191 nan 8.380 nan 0.000 0.507 4 S N 0.456 116.202 115.700 0.075 0.000 2.645 4 S HA 0.712 5.182 4.470 -0.000 0.000 0.266 4 S C -0.488 174.233 174.600 0.202 0.000 1.258 4 S CA -0.476 57.746 58.200 0.038 0.000 0.990 4 S CB 0.387 63.407 63.200 -0.299 0.000 0.967 4 S HN 0.469 nan 8.310 nan 0.000 0.556 5 F N -0.870 119.093 119.950 0.021 0.000 2.693 5 F HA 0.750 5.277 4.527 -0.000 0.000 0.309 5 F C -0.980 174.897 175.800 0.127 0.000 1.129 5 F CA -1.653 56.389 58.000 0.070 0.000 0.948 5 F CB 0.289 39.323 39.000 0.057 0.000 1.315 5 F HN 0.800 nan 8.300 nan 0.000 0.447 6 C N 0.750 120.025 119.300 -0.042 0.000 3.241 6 C HA 0.955 5.415 4.460 -0.000 0.000 0.312 6 C C -1.557 173.493 174.990 0.100 0.000 1.350 6 C CA -1.107 57.830 59.018 -0.135 0.000 1.415 6 C CB 1.224 29.016 27.740 0.087 0.000 1.770 6 C HN 0.986 nan 8.230 nan 0.000 0.466 7 V N 1.280 121.198 119.914 0.008 0.000 2.623 7 V HA 0.742 4.862 4.120 -0.000 0.000 0.304 7 V C -0.678 175.295 176.094 -0.202 0.000 1.054 7 V CA -0.368 61.888 62.300 -0.074 0.000 0.882 7 V CB 1.648 33.334 31.823 -0.229 0.000 1.002 7 V HN 1.073 nan 8.190 nan 0.000 0.424 8 V N 6.182 125.882 119.914 -0.357 0.000 2.407 8 V HA 0.539 4.659 4.120 -0.000 0.000 0.291 8 V C -0.923 174.944 176.094 -0.378 0.000 1.018 8 V CA -0.585 61.281 62.300 -0.723 0.000 0.842 8 V CB 1.370 32.334 31.823 -1.432 0.000 0.996 8 V HN 0.791 nan 8.190 nan 0.000 0.426 9 Y N 7.075 127.133 120.300 -0.402 0.000 2.632 9 Y HA 0.233 4.783 4.550 -0.000 0.000 0.329 9 Y C 1.261 176.998 175.900 -0.273 0.000 1.174 9 Y CA 0.420 58.359 58.100 -0.268 0.000 1.469 9 Y CB 0.197 38.561 38.460 -0.160 0.000 1.242 9 Y HN 0.856 nan 8.280 nan 0.000 0.540 10 K N 3.152 123.123 120.400 -0.714 0.000 3.035 10 K HA -0.210 4.110 4.320 -0.000 0.000 0.262 10 K C 0.484 176.901 176.600 -0.305 0.000 1.024 10 K CA 0.520 56.469 56.287 -0.563 0.000 0.748 10 K CB -1.623 30.510 32.500 -0.612 0.000 1.247 10 K HN 0.950 nan 8.250 nan 0.000 0.482 11 G N 0.813 109.471 108.800 -0.237 0.000 2.634 11 G HA2 0.347 4.307 3.960 -0.000 0.000 0.255 11 G HA3 0.347 4.307 3.960 -0.000 0.000 0.255 11 G C 0.154 175.119 174.900 0.109 0.000 1.205 11 G CA 0.109 45.152 45.100 -0.095 0.000 0.884 11 G HN 0.304 nan 8.290 nan 0.000 0.549 12 S N -1.376 114.400 115.700 0.126 0.000 2.677 12 S HA 0.413 4.883 4.470 -0.000 0.000 0.304 12 S C 0.756 175.410 174.600 0.089 0.000 1.108 12 S CA 0.036 58.332 58.200 0.159 0.000 0.944 12 S CB 2.060 65.294 63.200 0.057 0.000 1.127 12 S HN 0.580 nan 8.310 nan 0.000 0.511 13 D N 0.808 121.258 120.400 0.082 0.000 2.263 13 D HA -0.084 4.556 4.640 -0.000 0.000 0.208 13 D C 1.430 177.683 176.300 -0.078 0.000 0.971 13 D CA 1.580 55.535 54.000 -0.075 0.000 0.867 13 D CB -1.201 39.602 40.800 0.005 0.000 0.929 13 D HN 0.528 nan 8.370 nan 0.000 0.492 14 T N 0.593 115.134 114.554 -0.022 0.000 2.708 14 T HA -0.137 4.212 4.350 -0.000 0.000 0.266 14 T C 1.328 176.018 174.700 -0.017 0.000 1.037 14 T CA 1.473 63.565 62.100 -0.014 0.000 1.146 14 T CB -0.319 68.553 68.868 0.007 0.000 0.865 14 T HN 0.180 nan 8.240 nan 0.000 0.435 15 D N 1.186 121.592 120.400 0.011 0.000 2.104 15 D HA -0.089 4.551 4.640 -0.000 0.000 0.194 15 D C 2.156 178.449 176.300 -0.013 0.000 0.994 15 D CA 0.949 54.994 54.000 0.075 0.000 0.830 15 D CB -0.220 40.695 40.800 0.191 0.000 0.959 15 D HN 0.238 nan 8.370 nan 0.000 0.452 16 I N 1.316 121.812 120.570 -0.124 0.000 2.226 16 I HA -0.215 3.955 4.170 -0.000 0.000 0.245 16 I C 1.859 177.887 176.117 -0.148 0.000 1.100 16 I CA 1.078 62.261 61.300 -0.195 0.000 1.374 16 I CB -1.387 36.407 38.000 -0.342 0.000 1.057 16 I HN 0.024 nan 8.210 nan 0.000 0.413 17 N N 0.874 119.511 118.700 -0.106 0.000 2.244 17 N HA -0.153 4.587 4.740 -0.000 0.000 0.183 17 N C 1.556 177.026 175.510 -0.067 0.000 1.016 17 N CA 0.885 53.895 53.050 -0.065 0.000 0.866 17 N CB -0.085 38.375 38.487 -0.045 0.000 0.980 17 N HN 0.337 nan 8.380 nan 0.000 0.430 18 N N 0.964 119.622 118.700 -0.070 0.000 2.188 18 N HA -0.046 4.694 4.740 -0.000 0.000 0.184 18 N C 1.625 177.076 175.510 -0.098 0.000 1.018 18 N CA 0.731 53.739 53.050 -0.070 0.000 0.858 18 N CB -0.135 38.319 38.487 -0.055 0.000 0.989 18 N HN 0.301 nan 8.380 nan 0.000 0.426 19 I N 1.405 121.881 120.570 -0.157 0.000 2.179 19 I HA -0.260 3.910 4.170 -0.000 0.000 0.242 19 I C 1.784 177.826 176.117 -0.124 0.000 1.088 19 I CA 1.120 62.288 61.300 -0.219 0.000 1.357 19 I CB -0.308 37.341 38.000 -0.586 0.000 1.051 19 I HN 0.148 nan 8.210 nan 0.000 0.409 20 Q N 0.175 119.909 119.800 -0.111 0.000 2.500 20 Q HA -0.171 4.169 4.340 -0.000 0.000 0.213 20 Q C 2.054 178.048 176.000 -0.009 0.000 0.974 20 Q CA 0.584 56.400 55.803 0.023 0.000 0.918 20 Q CB -0.190 28.592 28.738 0.073 0.000 0.980 20 Q HN 0.403 nan 8.270 nan 0.000 0.505 21 R N 0.379 120.845 120.500 -0.056 0.000 2.148 21 R HA -0.096 4.244 4.340 -0.000 0.000 0.223 21 R C 0.746 176.962 176.300 -0.140 0.000 1.088 21 R CA 1.181 57.235 56.100 -0.077 0.000 0.985 21 R CB 0.451 30.706 30.300 -0.076 0.000 0.880 21 R HN 0.213 nan 8.270 nan 0.000 0.451 22 D N -1.899 118.366 120.400 -0.224 0.000 2.473 22 D HA 0.072 4.712 4.640 -0.000 0.000 0.230 22 D C -0.632 175.220 176.300 -0.747 0.000 1.097 22 D CA 0.430 54.117 54.000 -0.521 0.000 0.861 22 D CB 0.672 41.028 40.800 -0.739 0.000 1.114 22 D HN -0.024 nan 8.370 nan 0.000 0.500 23 F N 1.909 121.863 119.950 0.006 0.000 2.507 23 F HA 0.280 4.807 4.527 -0.000 0.000 0.328 23 F C 0.172 176.078 175.800 0.178 0.000 1.136 23 F CA -1.192 56.861 58.000 0.088 0.000 0.930 23 F CB 1.541 40.602 39.000 0.101 0.000 1.166 23 F HN -0.408 nan 8.300 nan 0.000 0.436 24 D N 1.741 122.317 120.400 0.293 0.000 2.341 24 D HA 0.584 5.224 4.640 -0.000 0.000 0.245 24 D C 0.597 177.051 176.300 0.257 0.000 1.106 24 D CA 0.449 54.587 54.000 0.229 0.000 0.905 24 D CB 1.661 42.537 40.800 0.126 0.000 1.202 24 D HN 0.834 nan 8.370 nan 0.000 0.426 25 G N 0.165 109.075 108.800 0.184 0.000 2.367 25 G HA2 0.375 4.335 3.960 -0.000 0.000 0.272 25 G HA3 0.375 4.335 3.960 -0.000 0.000 0.272 25 G C -1.703 173.191 174.900 -0.011 0.000 1.271 25 G CA -0.690 44.385 45.100 -0.041 0.000 0.893 25 G HN 0.623 nan 8.290 nan 0.000 0.485 26 K N -0.993 119.280 120.400 -0.211 0.000 2.527 26 K HA 0.720 5.040 4.320 -0.000 0.000 0.260 26 K C -0.180 176.394 176.600 -0.042 0.000 0.937 26 K CA -0.472 55.797 56.287 -0.031 0.000 0.826 26 K CB 2.056 34.550 32.500 -0.009 0.000 1.359 26 K HN 1.258 nan 8.250 nan 0.000 0.434 27 G N 0.801 109.669 108.800 0.114 0.000 2.412 27 G HA2 0.448 4.408 3.960 -0.000 0.000 0.318 27 G HA3 0.448 4.408 3.960 -0.000 0.000 0.318 27 G C -1.384 173.610 174.900 0.157 0.000 1.146 27 G CA -0.474 44.714 45.100 0.146 0.000 0.882 27 G HN 0.672 nan 8.290 nan 0.000 0.501 28 E N 0.090 120.429 120.200 0.231 0.000 2.263 28 E HA 0.533 4.883 4.350 -0.000 0.000 0.268 28 E C -0.221 176.540 176.600 0.268 0.000 0.884 28 E CA -0.890 55.645 56.400 0.225 0.000 0.766 28 E CB 1.783 31.569 29.700 0.144 0.000 1.196 28 E HN 0.687 nan 8.360 nan 0.000 0.416 29 A N 4.922 127.849 122.820 0.179 0.000 2.440 29 A HA 0.408 4.728 4.320 -0.000 0.000 0.251 29 A C -0.363 177.182 177.584 -0.065 0.000 1.089 29 A CA -0.040 51.930 52.037 -0.112 0.000 0.779 29 A CB 0.176 19.074 19.000 -0.171 0.000 1.022 29 A HN 0.644 nan 8.150 nan 0.000 0.492 30 L N 1.678 122.812 121.223 -0.148 0.000 2.491 30 L HA 0.353 4.692 4.340 -0.000 0.000 0.264 30 L C 2.031 178.848 176.870 -0.090 0.000 1.053 30 L CA 0.043 54.844 54.840 -0.064 0.000 0.858 30 L CB 1.115 43.120 42.059 -0.090 0.000 1.519 30 L HN 0.934 nan 8.230 nan 0.000 0.508 31 S N -0.520 115.159 115.700 -0.034 0.000 2.370 31 S HA -0.135 4.335 4.470 -0.000 0.000 0.226 31 S C 0.699 175.228 174.600 -0.118 0.000 1.033 31 S CA 1.537 59.709 58.200 -0.047 0.000 1.011 31 S CB -0.388 62.813 63.200 0.003 0.000 0.852 31 S HN 0.753 nan 8.310 nan 0.000 0.457 32 N N 1.003 119.612 118.700 -0.151 0.000 2.622 32 N HA 0.601 5.341 4.740 -0.000 0.000 0.304 32 N C -0.137 175.142 175.510 -0.386 0.000 1.844 32 N CA 0.212 53.095 53.050 -0.278 0.000 0.886 32 N CB 1.552 39.875 38.487 -0.273 0.000 1.366 32 N HN 0.601 nan 8.380 nan 0.000 0.491 33 G N -0.593 108.001 108.800 -0.344 0.000 2.325 33 G HA2 0.275 4.235 3.960 -0.000 0.000 0.295 33 G HA3 0.275 4.235 3.960 -0.000 0.000 0.295 33 G C -2.273 172.412 174.900 -0.359 0.000 1.274 33 G CA -0.593 44.303 45.100 -0.340 0.000 0.857 33 G HN -0.023 nan 8.290 nan 0.000 0.499 34 Y N -0.698 119.507 120.300 -0.158 0.000 2.524 34 Y HA 0.764 5.314 4.550 -0.000 0.000 0.344 34 Y C 0.028 175.889 175.900 -0.066 0.000 1.012 34 Y CA -0.892 57.155 58.100 -0.088 0.000 1.068 34 Y CB 2.379 40.804 38.460 -0.058 0.000 1.249 34 Y HN 0.493 nan 8.280 nan 0.000 0.468 35 L N 4.143 125.496 121.223 0.216 0.000 2.341 35 L HA 0.519 4.859 4.340 -0.000 0.000 0.278 35 L C -1.830 175.167 176.870 0.212 0.000 1.005 35 L CA -0.790 54.137 54.840 0.145 0.000 0.818 35 L CB 1.248 43.321 42.059 0.024 0.000 1.259 35 L HN 0.676 nan 8.230 nan 0.000 0.418 36 F N 6.399 126.405 119.950 0.093 0.000 2.493 36 F HA 0.589 5.116 4.527 -0.000 0.000 0.329 36 F C -1.031 174.817 175.800 0.080 0.000 1.126 36 F CA -0.745 57.292 58.000 0.061 0.000 0.937 36 F CB 1.614 40.652 39.000 0.063 0.000 1.146 36 F HN 0.360 nan 8.300 nan 0.000 0.442 37 I N 5.636 125.692 120.570 -0.857 0.000 2.466 37 I HA 0.350 4.519 4.170 -0.000 0.000 0.289 37 I C -0.491 175.135 176.117 -0.818 0.000 1.026 37 I CA -0.165 60.776 61.300 -0.597 0.000 1.078 37 I CB 1.561 39.308 38.000 -0.422 0.000 1.249 37 I HN 0.679 nan 8.210 nan 0.000 0.429 38 E N 4.032 123.939 120.200 -0.487 0.000 2.438 38 E HA -0.074 4.276 4.350 -0.000 0.000 0.261 38 E C 0.532 177.042 176.600 -0.151 0.000 1.103 38 E CA 0.179 56.438 56.400 -0.236 0.000 0.959 38 E CB 0.616 30.314 29.700 -0.003 0.000 0.958 38 E HN 0.644 nan 8.360 nan 0.000 0.447 39 Q N 1.961 121.731 119.800 -0.050 0.000 2.103 39 Q HA -0.271 4.069 4.340 -0.000 0.000 0.213 39 Q C 0.398 176.370 176.000 -0.047 0.000 1.008 39 Q CA 2.297 58.085 55.803 -0.025 0.000 0.879 39 Q CB -0.160 28.593 28.738 0.025 0.000 0.946 39 Q HN 0.467 nan 8.270 nan 0.000 0.413 40 N N -0.233 118.435 118.700 -0.053 0.000 2.320 40 N HA 0.299 5.039 4.740 -0.000 0.000 0.237 40 N C -0.616 174.745 175.510 -0.248 0.000 1.129 40 N CA 0.237 53.217 53.050 -0.116 0.000 0.854 40 N CB 0.869 39.322 38.487 -0.057 0.000 1.083 40 N HN 0.279 nan 8.380 nan 0.000 0.504 41 G N -0.440 108.248 108.800 -0.187 0.000 2.448 41 G HA2 0.205 4.165 3.960 -0.000 0.000 0.285 41 G HA3 0.205 4.165 3.960 -0.000 0.000 0.285 41 G C -0.685 174.076 174.900 -0.232 0.000 1.176 41 G CA -0.304 44.697 45.100 -0.165 0.000 0.852 41 G HN 0.290 nan 8.290 nan 0.000 0.530 42 H N -0.298 118.862 119.070 0.150 0.000 2.529 42 H HA 0.534 5.090 4.556 -0.000 0.000 0.348 42 H C -0.951 174.526 175.328 0.249 0.000 1.152 42 H CA -0.119 56.031 56.048 0.170 0.000 1.202 42 H CB 2.059 31.884 29.762 0.105 0.000 1.562 42 H HN 0.679 nan 8.280 nan 0.000 0.515 43 Y N -0.517 119.852 120.300 0.114 0.000 2.620 43 Y HA 0.432 4.982 4.550 -0.000 0.000 0.331 43 Y C -1.860 174.050 175.900 0.017 0.000 1.173 43 Y CA -0.957 57.166 58.100 0.038 0.000 1.076 43 Y CB 1.125 39.593 38.460 0.013 0.000 1.336 43 Y HN 0.388 nan 8.280 nan 0.000 0.459 44 Q N 2.357 122.081 119.800 -0.127 0.000 2.544 44 Q HA 0.615 4.955 4.340 -0.000 0.000 0.291 44 Q C -1.513 174.362 176.000 -0.208 0.000 1.068 44 Q CA -1.048 54.604 55.803 -0.251 0.000 0.785 44 Q CB 3.628 32.275 28.738 -0.152 0.000 1.481 44 Q HN 0.917 nan 8.270 nan 0.000 0.430 45 K N -1.210 119.029 120.400 -0.269 0.000 2.533 45 K HA 0.857 5.177 4.320 -0.000 0.000 0.284 45 K C -0.999 175.441 176.600 -0.267 0.000 1.025 45 K CA -0.767 55.296 56.287 -0.374 0.000 0.900 45 K CB 1.618 33.732 32.500 -0.644 0.000 1.519 45 K HN 0.876 nan 8.250 nan 0.000 0.432 46 C N -1.053 118.082 119.300 -0.274 0.000 3.292 46 C HA 0.462 4.922 4.460 -0.000 0.000 0.368 46 C C -1.372 173.532 174.990 -0.144 0.000 1.141 46 C CA -0.898 58.023 59.018 -0.163 0.000 1.194 46 C CB 1.390 29.073 27.740 -0.095 0.000 1.533 46 C HN 0.837 nan 8.230 nan 0.000 0.532 47 E N 2.096 122.240 120.200 -0.093 0.000 2.316 47 E HA 0.476 4.825 4.350 -0.000 0.000 0.275 47 E C -0.232 176.354 176.600 -0.024 0.000 1.029 47 E CA 0.293 56.658 56.400 -0.059 0.000 0.871 47 E CB 1.171 30.848 29.700 -0.038 0.000 1.022 47 E HN 0.750 nan 8.360 nan 0.000 0.418 48 M N 2.052 121.647 119.600 -0.009 0.000 2.664 48 M HA 0.122 4.602 4.480 -0.000 0.000 0.314 48 M C 1.575 177.897 176.300 0.038 0.000 1.200 48 M CA -0.832 54.485 55.300 0.028 0.000 0.916 48 M CB 1.538 34.162 32.600 0.040 0.000 1.717 48 M HN 0.311 nan 8.290 nan 0.000 0.470 49 E N 0.952 121.185 120.200 0.055 0.000 2.136 49 E HA -0.221 4.129 4.350 -0.000 0.000 0.202 49 E C 0.204 176.834 176.600 0.051 0.000 1.019 49 E CA 1.682 58.112 56.400 0.051 0.000 0.819 49 E CB -0.283 29.454 29.700 0.061 0.000 0.739 49 E HN 0.424 nan 8.360 nan 0.000 0.458 50 R N 0.174 120.712 120.500 0.064 0.000 2.564 50 R HA 0.511 4.851 4.340 -0.000 0.000 0.282 50 R C -0.402 175.933 176.300 0.058 0.000 1.573 50 R CA 0.551 56.688 56.100 0.062 0.000 1.588 50 R CB 1.363 31.709 30.300 0.078 0.000 1.154 50 R HN 0.425 nan 8.270 nan 0.000 0.606 51 G N 0.002 108.828 108.800 0.043 0.000 2.497 51 G HA2 -0.150 3.810 3.960 -0.000 0.000 0.686 51 G HA3 -0.150 3.810 3.960 -0.000 0.000 0.686 51 G C -0.937 173.971 174.900 0.013 0.000 1.288 51 G CA -1.131 43.994 45.100 0.042 0.000 0.899 51 G HN 0.176 nan 8.290 nan 0.000 0.608 52 T N 1.106 115.676 114.554 0.028 0.000 2.744 52 T HA 0.681 5.031 4.350 -0.000 0.000 0.291 52 T C 0.716 175.340 174.700 -0.127 0.000 0.957 52 T CA 0.652 62.718 62.100 -0.057 0.000 1.002 52 T CB 1.404 70.262 68.868 -0.015 0.000 0.919 52 T HN 1.685 nan 8.240 nan 0.000 0.468 53 A N 3.851 126.506 122.820 -0.275 0.000 2.301 53 A HA 0.661 4.981 4.320 -0.000 0.000 0.298 53 A C -1.053 176.167 177.584 -0.607 0.000 1.185 53 A CA -0.503 51.273 52.037 -0.436 0.000 0.830 53 A CB 0.150 18.977 19.000 -0.289 0.000 1.112 53 A HN 0.848 nan 8.150 nan 0.000 0.508 54 Y N 1.832 121.658 120.300 -0.790 0.000 2.364 54 Y HA 0.489 5.039 4.550 -0.000 0.000 0.340 54 Y C -0.119 175.373 175.900 -0.680 0.000 0.975 54 Y CA -0.783 56.867 58.100 -0.749 0.000 1.089 54 Y CB 2.079 39.793 38.460 -1.242 0.000 1.192 54 Y HN 0.537 nan 8.280 nan 0.000 0.454 55 L N 5.949 127.095 121.223 -0.129 0.000 2.319 55 L HA 0.566 4.906 4.340 -0.000 0.000 0.281 55 L C -1.571 175.323 176.870 0.040 0.000 1.005 55 L CA -0.686 54.182 54.840 0.047 0.000 0.828 55 L CB 0.717 42.843 42.059 0.112 0.000 1.227 55 L HN 0.572 nan 8.230 nan 0.000 0.415 56 I N 4.567 125.122 120.570 -0.026 0.000 2.412 56 I HA 0.827 4.997 4.170 -0.000 0.000 0.296 56 I C 0.788 176.934 176.117 0.048 0.000 0.987 56 I CA 0.454 61.692 61.300 -0.105 0.000 1.180 56 I CB 1.491 39.069 38.000 -0.703 0.000 1.340 56 I HN 0.834 nan 8.210 nan 0.000 0.455 57 G N 4.277 113.156 108.800 0.132 0.000 2.482 57 G HA2 0.081 4.041 3.960 -0.000 0.000 0.214 57 G HA3 0.081 4.041 3.960 -0.000 0.000 0.214 57 G C -0.593 174.421 174.900 0.189 0.000 1.271 57 G CA -0.290 44.931 45.100 0.202 0.000 0.944 57 G HN 1.119 nan 8.290 nan 0.000 0.568 58 S N -1.293 114.493 115.700 0.142 0.000 2.661 58 S HA 0.828 5.298 4.470 -0.000 0.000 0.285 58 S C -0.654 173.905 174.600 -0.068 0.000 1.138 58 S CA -0.849 57.381 58.200 0.050 0.000 0.855 58 S CB 2.082 65.330 63.200 0.079 0.000 1.136 58 S HN 1.150 nan 8.310 nan 0.000 0.484 59 L N 1.665 122.837 121.223 -0.084 0.000 2.317 59 L HA 0.463 4.803 4.340 -0.000 0.000 0.281 59 L C -0.194 176.711 176.870 0.058 0.000 1.024 59 L CA -0.898 53.856 54.840 -0.143 0.000 0.810 59 L CB 0.928 42.886 42.059 -0.167 0.000 1.240 59 L HN 0.768 nan 8.230 nan 0.000 0.427 60 Y N 0.511 120.780 120.300 -0.052 0.000 2.497 60 Y HA 0.050 4.600 4.550 -0.000 0.000 0.265 60 Y C 1.142 177.017 175.900 -0.043 0.000 1.111 60 Y CA -0.583 57.475 58.100 -0.070 0.000 1.288 60 Y CB -0.067 38.308 38.460 -0.142 0.000 1.082 60 Y HN 0.653 nan 8.280 nan 0.000 0.536 61 N N -0.206 118.567 118.700 0.122 0.000 2.642 61 N HA 0.145 4.885 4.740 -0.000 0.000 0.308 61 N C 0.658 176.243 175.510 0.126 0.000 1.914 61 N CA -0.224 52.894 53.050 0.112 0.000 0.893 61 N CB -0.077 38.456 38.487 0.077 0.000 1.322 61 N HN 0.071 nan 8.380 nan 0.000 0.490 62 R N -0.115 120.425 120.500 0.068 0.000 2.081 62 R HA -0.128 4.212 4.340 -0.000 0.000 0.235 62 R C 1.759 178.081 176.300 0.035 0.000 1.131 62 R CA 2.361 58.475 56.100 0.024 0.000 0.960 62 R CB -0.302 29.996 30.300 -0.003 0.000 0.856 62 R HN 0.589 nan 8.270 nan 0.000 0.436 63 T N -0.898 113.695 114.554 0.066 0.000 2.684 63 T HA -0.236 4.114 4.350 -0.000 0.000 0.267 63 T C 1.704 176.445 174.700 0.067 0.000 1.036 63 T CA 1.461 63.599 62.100 0.063 0.000 1.148 63 T CB -0.574 68.339 68.868 0.076 0.000 0.863 63 T HN 0.276 nan 8.240 nan 0.000 0.436 64 F N 2.081 122.031 119.950 -0.000 0.000 2.146 64 F HA 0.173 4.700 4.527 -0.000 0.000 0.298 64 F C 2.018 177.802 175.800 -0.026 0.000 1.096 64 F CA 0.927 58.929 58.000 0.003 0.000 1.275 64 F CB -0.368 38.645 39.000 0.021 0.000 1.008 64 F HN 0.078 nan 8.300 nan 0.000 0.480 65 L N 0.006 121.245 121.223 0.027 0.000 2.093 65 L HA -0.196 4.144 4.340 -0.000 0.000 0.208 65 L C 2.445 179.164 176.870 -0.251 0.000 1.085 65 L CA 1.189 55.965 54.840 -0.106 0.000 0.755 65 L CB -0.646 41.412 42.059 -0.003 0.000 0.904 65 L HN 0.199 nan 8.230 nan 0.000 0.435 66 I N -0.197 120.247 120.570 -0.210 0.000 2.353 66 I HA -0.156 4.014 4.170 -0.000 0.000 0.248 66 I C 2.582 178.490 176.117 -0.349 0.000 1.119 66 I CA 1.237 62.366 61.300 -0.285 0.000 1.417 66 I CB -0.719 37.185 38.000 -0.161 0.000 1.078 66 I HN 0.259 nan 8.210 nan 0.000 0.421 67 G N 1.040 109.682 108.800 -0.264 0.000 2.432 67 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.219 67 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.219 67 G C 1.629 176.324 174.900 -0.342 0.000 1.135 67 G CA 0.503 45.460 45.100 -0.238 0.000 0.767 67 G HN 0.261 nan 8.290 nan 0.000 0.550 68 L N 1.051 121.994 121.223 -0.467 0.000 2.049 68 L HA 0.357 4.697 4.340 -0.000 0.000 0.203 68 L C 2.945 179.504 176.870 -0.518 0.000 1.074 68 L CA 2.126 56.724 54.840 -0.405 0.000 0.749 68 L CB -0.712 41.105 42.059 -0.403 0.000 0.907 68 L HN 0.159 nan 8.230 nan 0.000 0.439 69 A N -0.421 121.970 122.820 -0.716 0.000 2.015 69 A HA 0.012 4.332 4.320 -0.000 0.000 0.219 69 A C 2.210 179.000 177.584 -1.322 0.000 1.163 69 A CA 1.128 52.340 52.037 -1.374 0.000 0.646 69 A CB -1.519 16.983 19.000 -0.831 0.000 0.806 69 A HN 0.548 nan 8.150 nan 0.000 0.448 70 G N -0.745 107.553 108.800 -0.837 0.000 2.586 70 G HA2 0.009 3.969 3.960 -0.000 0.000 0.215 70 G HA3 0.009 3.969 3.960 -0.000 0.000 0.215 70 G C 1.269 175.921 174.900 -0.413 0.000 1.128 70 G CA 0.969 45.653 45.100 -0.692 0.000 0.774 70 G HN 0.303 nan 8.290 nan 0.000 0.543 71 V N -0.440 119.231 119.914 -0.406 0.000 2.515 71 V HA -0.080 4.040 4.120 -0.000 0.000 0.250 71 V C 2.106 178.213 176.094 0.022 0.000 1.058 71 V CA 1.983 64.218 62.300 -0.108 0.000 1.064 71 V CB -0.412 31.439 31.823 0.045 0.000 0.675 71 V HN 0.893 nan 8.190 nan 0.000 0.461 72 W N -1.412 119.848 121.300 -0.067 0.000 2.741 72 W HA 0.521 5.181 4.660 -0.000 0.000 0.317 72 W C 0.280 176.766 176.519 -0.055 0.000 1.029 72 W CA -0.277 57.037 57.345 -0.051 0.000 1.511 72 W CB 0.566 29.996 29.460 -0.050 0.000 1.025 72 W HN -0.112 nan 8.180 nan 0.000 0.554 73 E N 0.771 120.658 120.200 -0.520 0.000 2.260 73 E HA 0.275 4.625 4.350 -0.000 0.000 0.266 73 E C 0.822 177.219 176.600 -0.338 0.000 0.887 73 E CA -0.177 56.023 56.400 -0.334 0.000 0.777 73 E CB 1.770 31.251 29.700 -0.366 0.000 1.205 73 E HN 0.128 nan 8.360 nan 0.000 0.414 74 G N 2.635 111.350 108.800 -0.141 0.000 2.448 74 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.218 74 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.218 74 G C 0.851 175.702 174.900 -0.081 0.000 1.135 74 G CA 0.320 45.393 45.100 -0.044 0.000 0.784 74 G HN 0.455 nan 8.290 nan 0.000 0.543 75 E N 0.688 120.817 120.200 -0.118 0.000 2.516 75 E HA 0.103 4.453 4.350 -0.000 0.000 0.199 75 E C 2.607 179.093 176.600 -0.190 0.000 1.069 75 E CA 0.260 56.601 56.400 -0.098 0.000 0.876 75 E CB 0.025 29.687 29.700 -0.064 0.000 0.843 75 E HN 0.436 nan 8.360 nan 0.000 0.530 76 A N 0.786 123.376 122.820 -0.382 0.000 1.933 76 A HA -0.188 4.132 4.320 -0.000 0.000 0.218 76 A C 1.564 178.894 177.584 -0.424 0.000 1.175 76 A CA 1.047 52.797 52.037 -0.479 0.000 0.628 76 A CB -0.626 17.936 19.000 -0.730 0.000 0.814 76 A HN 0.246 nan 8.150 nan 0.000 0.444 77 Y N -0.486 119.734 120.300 -0.134 0.000 2.333 77 Y HA 0.004 4.554 4.550 -0.000 0.000 0.290 77 Y C 1.624 177.472 175.900 -0.087 0.000 1.144 77 Y CA 0.955 58.990 58.100 -0.108 0.000 1.228 77 Y CB -0.275 38.128 38.460 -0.095 0.000 0.985 77 Y HN 0.183 nan 8.280 nan 0.000 0.542 78 L N -0.960 120.277 121.223 0.023 0.000 2.959 78 L HA 0.437 4.776 4.340 -0.000 0.000 0.259 78 L C 0.716 177.559 176.870 -0.044 0.000 1.185 78 L CA -0.480 54.358 54.840 -0.003 0.000 0.998 78 L CB -0.039 42.023 42.059 0.005 0.000 1.337 78 L HN -0.021 nan 8.230 nan 0.000 0.555 79 A N 1.212 123.987 122.820 -0.074 0.000 2.425 79 A HA 0.327 4.647 4.320 -0.000 0.000 0.249 79 A C 0.295 177.829 177.584 -0.083 0.000 1.084 79 A CA -0.366 51.620 52.037 -0.085 0.000 0.781 79 A CB 0.088 19.021 19.000 -0.111 0.000 1.019 79 A HN 0.489 nan 8.150 nan 0.000 0.490 80 N N 1.450 120.102 118.700 -0.081 0.000 2.317 80 N HA 0.071 4.811 4.740 -0.000 0.000 0.245 80 N C 0.089 175.543 175.510 -0.092 0.000 1.294 80 N CA -0.052 52.946 53.050 -0.086 0.000 0.924 80 N CB 0.310 38.739 38.487 -0.095 0.000 1.186 80 N HN 0.500 nan 8.380 nan 0.000 0.495 81 D N -0.454 119.889 120.400 -0.094 0.000 2.158 81 D HA -0.206 4.434 4.640 -0.000 0.000 0.197 81 D C 1.686 177.930 176.300 -0.093 0.000 0.995 81 D CA 2.075 56.010 54.000 -0.108 0.000 0.846 81 D CB -0.702 40.037 40.800 -0.102 0.000 0.941 81 D HN 0.701 nan 8.370 nan 0.000 0.456 82 A N 1.060 123.849 122.820 -0.052 0.000 1.873 82 A HA -0.183 4.137 4.320 -0.000 0.000 0.215 82 A C 2.094 179.696 177.584 0.030 0.000 1.186 82 A CA 1.407 53.462 52.037 0.031 0.000 0.616 82 A CB -0.548 18.429 19.000 -0.039 0.000 0.823 82 A HN 0.200 nan 8.150 nan 0.000 0.442 83 E N -0.604 119.576 120.200 -0.032 0.000 2.153 83 E HA -0.190 4.160 4.350 -0.000 0.000 0.194 83 E C 1.888 178.458 176.600 -0.051 0.000 0.988 83 E CA 1.118 57.499 56.400 -0.032 0.000 0.811 83 E CB -0.261 29.406 29.700 -0.054 0.000 0.746 83 E HN 0.483 nan 8.360 nan 0.000 0.466 84 L N 0.945 122.113 121.223 -0.092 0.000 2.017 84 L HA -0.150 4.190 4.340 -0.000 0.000 0.208 84 L C 2.000 178.788 176.870 -0.137 0.000 1.073 84 L CA 1.626 56.390 54.840 -0.127 0.000 0.745 84 L CB -0.342 41.628 42.059 -0.149 0.000 0.894 84 L HN 0.118 nan 8.230 nan 0.000 0.432 85 L N -0.769 120.326 121.223 -0.214 0.000 2.201 85 L HA -0.107 4.233 4.340 -0.000 0.000 0.212 85 L C 2.628 179.334 176.870 -0.273 0.000 1.105 85 L CA 0.879 55.500 54.840 -0.364 0.000 0.775 85 L CB -1.003 40.596 42.059 -0.767 0.000 0.913 85 L HN 0.372 nan 8.230 nan 0.000 0.440 86 A N 0.575 123.333 122.820 -0.102 0.000 1.902 86 A HA -0.168 4.152 4.320 -0.000 0.000 0.217 86 A C 2.277 179.951 177.584 0.151 0.000 1.181 86 A CA 1.343 53.435 52.037 0.092 0.000 0.623 86 A CB -0.616 18.462 19.000 0.130 0.000 0.818 86 A HN 0.337 nan 8.150 nan 0.000 0.443 87 L N -0.640 120.648 121.223 0.109 0.000 2.012 87 L HA -0.214 4.126 4.340 -0.000 0.000 0.210 87 L C 2.610 179.683 176.870 0.339 0.000 1.073 87 L CA 1.301 56.268 54.840 0.212 0.000 0.748 87 L CB -0.570 41.558 42.059 0.114 0.000 0.891 87 L HN 0.398 nan 8.230 nan 0.000 0.431 88 L N -1.608 119.762 121.223 0.246 0.000 2.027 88 L HA -0.238 4.102 4.340 -0.000 0.000 0.206 88 L C 2.559 179.519 176.870 0.150 0.000 1.074 88 L CA 1.214 56.204 54.840 0.250 0.000 0.745 88 L CB -0.644 41.492 42.059 0.129 0.000 0.898 88 L HN 0.142 nan 8.230 nan 0.000 0.433 89 F N 1.581 121.519 119.950 -0.021 0.000 2.065 89 F HA -0.319 4.208 4.527 -0.000 0.000 0.298 89 F C 2.846 178.648 175.800 0.004 0.000 1.112 89 F CA 2.399 60.390 58.000 -0.015 0.000 1.212 89 F CB -0.463 38.539 39.000 0.003 0.000 0.975 89 F HN 0.176 nan 8.300 nan 0.000 0.476 90 T N -1.680 113.011 114.554 0.229 0.000 2.821 90 T HA -0.190 4.160 4.350 -0.000 0.000 0.267 90 T C 1.993 176.635 174.700 -0.097 0.000 1.046 90 T CA 1.390 63.538 62.100 0.080 0.000 1.139 90 T CB -0.392 68.569 68.868 0.155 0.000 0.871 90 T HN 0.237 nan 8.240 nan 0.000 0.454 91 R N 0.955 121.367 120.500 -0.146 0.000 2.090 91 R HA 0.359 4.699 4.340 -0.000 0.000 0.219 91 R C 1.926 177.981 176.300 -0.408 0.000 1.100 91 R CA 1.008 56.858 56.100 -0.416 0.000 0.991 91 R CB -0.629 29.107 30.300 -0.940 0.000 0.893 91 R HN 0.493 nan 8.270 nan 0.000 0.443 92 L N -0.194 120.856 121.223 -0.287 0.000 2.766 92 L HA 0.423 4.763 4.340 -0.000 0.000 0.242 92 L C 0.385 177.142 176.870 -0.189 0.000 1.136 92 L CA -0.042 54.667 54.840 -0.218 0.000 0.933 92 L CB 0.496 42.480 42.059 -0.124 0.000 1.241 92 L HN 0.480 nan 8.230 nan 0.000 0.522 93 G N -0.050 108.589 108.800 -0.269 0.000 2.756 93 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.678 93 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.678 93 G C 0.628 175.338 174.900 -0.317 0.000 1.349 93 G CA -0.250 44.630 45.100 -0.368 0.000 0.847 93 G HN 0.106 nan 8.290 nan 0.000 0.548 94 A N -0.151 122.470 122.820 -0.332 0.000 1.933 94 A HA -0.080 4.240 4.320 -0.000 0.000 0.218 94 A C 2.255 179.861 177.584 0.036 0.000 1.175 94 A CA 2.438 54.464 52.037 -0.019 0.000 0.628 94 A CB -0.533 18.518 19.000 0.085 0.000 0.814 94 A HN 0.909 nan 8.150 nan 0.000 0.444 95 N N 0.647 119.333 118.700 -0.023 0.000 2.258 95 N HA -0.152 4.588 4.740 -0.000 0.000 0.187 95 N C 1.645 177.164 175.510 0.016 0.000 1.012 95 N CA 1.469 54.515 53.050 -0.007 0.000 0.870 95 N CB -0.528 37.940 38.487 -0.032 0.000 0.977 95 N HN 0.519 nan 8.380 nan 0.000 0.434 96 A N -0.024 122.806 122.820 0.016 0.000 2.067 96 A HA -0.013 4.307 4.320 -0.000 0.000 0.219 96 A C 1.832 179.465 177.584 0.081 0.000 1.158 96 A CA 0.705 52.772 52.037 0.050 0.000 0.661 96 A CB -0.316 18.711 19.000 0.046 0.000 0.801 96 A HN 0.142 nan 8.150 nan 0.000 0.452 97 L N -0.757 120.522 121.223 0.093 0.000 2.551 97 L HA 0.054 4.394 4.340 -0.000 0.000 0.228 97 L C 2.553 179.538 176.870 0.191 0.000 1.153 97 L CA 1.160 56.068 54.840 0.114 0.000 0.851 97 L CB -0.550 41.584 42.059 0.124 0.000 0.959 97 L HN 0.377 nan 8.230 nan 0.000 0.451 98 A N -0.919 121.974 122.820 0.122 0.000 2.119 98 A HA 0.010 4.330 4.320 -0.000 0.000 0.216 98 A C 2.101 179.700 177.584 0.025 0.000 1.152 98 A CA 0.715 52.793 52.037 0.067 0.000 0.708 98 A CB -0.449 18.536 19.000 -0.025 0.000 0.805 98 A HN 0.397 nan 8.150 nan 0.000 0.460 99 L N -0.643 120.641 121.223 0.101 0.000 2.291 99 L HA 0.072 4.412 4.340 -0.000 0.000 0.214 99 L C 1.513 178.554 176.870 0.284 0.000 1.120 99 L CA 0.189 55.129 54.840 0.167 0.000 0.799 99 L CB -0.597 41.623 42.059 0.269 0.000 0.925 99 L HN 0.368 nan 8.230 nan 0.000 0.446 100 A N 0.809 123.786 122.820 0.261 0.000 2.388 100 A HA 0.350 4.670 4.320 -0.000 0.000 0.257 100 A C -0.080 177.719 177.584 0.358 0.000 1.095 100 A CA -0.188 51.966 52.037 0.195 0.000 0.791 100 A CB 0.200 19.155 19.000 -0.075 0.000 1.029 100 A HN 0.274 nan 8.150 nan 0.000 0.489 101 E N 0.204 120.490 120.200 0.143 0.000 2.212 101 E HA 0.652 5.002 4.350 -0.000 0.000 0.268 101 E C 0.005 176.512 176.600 -0.155 0.000 0.902 101 E CA -0.349 56.093 56.400 0.070 0.000 0.779 101 E CB 2.119 31.760 29.700 -0.097 0.000 1.172 101 E HN 1.167 nan 8.360 nan 0.000 0.409 102 G N 1.827 110.389 108.800 -0.396 0.000 2.350 102 G HA2 0.008 3.968 3.960 -0.000 0.000 0.304 102 G HA3 0.008 3.968 3.960 -0.000 0.000 0.304 102 G C -1.616 173.028 174.900 -0.427 0.000 1.421 102 G CA -0.910 43.442 45.100 -1.247 0.000 0.934 102 G HN 0.628 nan 8.290 nan 0.000 0.632 103 D N -0.163 119.990 120.400 -0.411 0.000 2.713 103 D HA 0.432 5.072 4.640 -0.000 0.000 0.229 103 D C 0.165 176.542 176.300 0.128 0.000 1.136 103 D CA -0.360 53.664 54.000 0.040 0.000 1.010 103 D CB -0.547 40.335 40.800 0.137 0.000 1.084 103 D HN 0.508 nan 8.370 nan 0.000 0.495 104 F N -0.810 119.159 119.950 0.033 0.000 2.618 104 F HA 0.717 5.244 4.527 -0.000 0.000 0.332 104 F C -1.136 174.754 175.800 0.149 0.000 1.061 104 F CA -1.742 56.296 58.000 0.064 0.000 0.974 104 F CB 1.579 40.590 39.000 0.017 0.000 1.310 104 F HN 0.095 nan 8.300 nan 0.000 0.491 105 C N 3.172 122.643 119.300 0.284 0.000 2.551 105 C HA 0.694 5.154 4.460 -0.000 0.000 0.332 105 C C -1.634 173.632 174.990 0.461 0.000 1.139 105 C CA -0.819 58.372 59.018 0.289 0.000 1.328 105 C CB 0.030 27.972 27.740 0.338 0.000 1.903 105 C HN 0.828 nan 8.230 nan 0.000 0.459 106 F N 7.562 127.741 119.950 0.382 0.000 2.436 106 F HA 0.856 5.383 4.527 -0.000 0.000 0.340 106 F C -0.734 175.216 175.800 0.249 0.000 1.113 106 F CA -0.801 57.332 58.000 0.222 0.000 1.022 106 F CB 1.058 40.201 39.000 0.239 0.000 1.128 106 F HN 0.647 nan 8.300 nan 0.000 0.466 107 F N 5.460 125.145 119.950 -0.441 0.000 2.608 107 F HA 0.687 5.214 4.527 -0.000 0.000 0.309 107 F C -1.977 173.569 175.800 -0.424 0.000 1.103 107 F CA -1.807 56.011 58.000 -0.303 0.000 0.954 107 F CB 0.773 39.747 39.000 -0.043 0.000 1.267 107 F HN 0.240 nan 8.300 nan 0.000 0.444 108 I N 2.672 123.222 120.570 -0.033 0.000 2.339 108 I HA 0.229 4.399 4.170 -0.000 0.000 0.290 108 I C -0.815 175.409 176.117 0.179 0.000 0.994 108 I CA -0.520 60.756 61.300 -0.040 0.000 1.191 108 I CB 1.379 39.304 38.000 -0.125 0.000 1.343 108 I HN 0.590 nan 8.210 nan 0.000 0.458 109 D N 6.895 127.448 120.400 0.256 0.000 2.339 109 D HA 0.179 4.819 4.640 -0.000 0.000 0.241 109 D C -0.293 176.090 176.300 0.140 0.000 1.183 109 D CA -0.057 54.082 54.000 0.231 0.000 0.859 109 D CB 0.674 41.663 40.800 0.315 0.000 1.067 109 D HN 0.419 nan 8.370 nan 0.000 0.484 110 E N 3.759 124.024 120.200 0.107 0.000 2.277 110 E HA 0.238 4.588 4.350 -0.000 0.000 0.274 110 E C -1.571 175.072 176.600 0.072 0.000 1.022 110 E CA -1.759 54.692 56.400 0.084 0.000 0.853 110 E CB 1.321 31.070 29.700 0.082 0.000 1.086 110 E HN 0.252 nan 8.360 nan 0.000 0.397 111 P HA -0.212 nan 4.420 nan 0.000 0.217 111 P C 0.244 177.567 177.300 0.037 0.000 1.151 111 P CA 1.405 64.529 63.100 0.041 0.000 0.849 111 P CB 0.039 31.759 31.700 0.034 0.000 0.787 112 N N -1.912 116.818 118.700 0.050 0.000 2.515 112 N HA 0.102 4.842 4.740 -0.000 0.000 0.191 112 N C 1.260 176.819 175.510 0.083 0.000 1.182 112 N CA 0.922 54.005 53.050 0.054 0.000 0.879 112 N CB -0.885 37.637 38.487 0.058 0.000 0.984 112 N HN 0.185 nan 8.380 nan 0.000 0.453 113 G N -0.144 108.713 108.800 0.095 0.000 2.253 113 G HA2 -0.384 3.576 3.960 -0.000 0.000 0.251 113 G HA3 -0.384 3.576 3.960 -0.000 0.000 0.251 113 G C -0.159 174.843 174.900 0.171 0.000 0.998 113 G CA 0.209 45.414 45.100 0.175 0.000 0.621 113 G HN 0.630 nan 8.290 nan 0.000 0.524 114 E N 0.509 120.778 120.200 0.115 0.000 2.299 114 E HA 0.447 4.797 4.350 -0.000 0.000 0.272 114 E C -0.308 176.335 176.600 0.073 0.000 1.043 114 E CA -0.584 55.867 56.400 0.086 0.000 0.895 114 E CB 0.275 30.025 29.700 0.083 0.000 1.011 114 E HN 0.235 nan 8.360 nan 0.000 0.432 115 L N 4.381 125.629 121.223 0.042 0.000 2.295 115 L HA 0.294 4.634 4.340 -0.000 0.000 0.285 115 L C -0.429 176.483 176.870 0.070 0.000 1.035 115 L CA -0.053 54.813 54.840 0.043 0.000 0.806 115 L CB 2.014 44.046 42.059 -0.044 0.000 1.214 115 L HN 0.489 nan 8.230 nan 0.000 0.426 116 T N 4.144 118.766 114.554 0.113 0.000 2.770 116 T HA 0.472 4.822 4.350 -0.000 0.000 0.297 116 T C -0.790 174.027 174.700 0.195 0.000 0.997 116 T CA -0.207 61.980 62.100 0.146 0.000 0.949 116 T CB 1.026 69.987 68.868 0.154 0.000 0.941 116 T HN 0.375 nan 8.240 nan 0.000 0.457 117 V N 5.752 125.811 119.914 0.242 0.000 2.628 117 V HA 0.733 4.853 4.120 -0.000 0.000 0.306 117 V C -1.087 175.256 176.094 0.415 0.000 1.045 117 V CA -0.934 61.563 62.300 0.329 0.000 0.905 117 V CB 1.443 33.424 31.823 0.263 0.000 0.997 117 V HN 0.842 nan 8.190 nan 0.000 0.436 118 I N 5.506 126.351 120.570 0.458 0.000 2.466 118 I HA 0.450 4.620 4.170 -0.000 0.000 0.289 118 I C 0.014 176.354 176.117 0.372 0.000 1.026 118 I CA -0.381 61.178 61.300 0.431 0.000 1.078 118 I CB 2.455 40.741 38.000 0.476 0.000 1.249 118 I HN 0.809 nan 8.210 nan 0.000 0.429 119 T N 1.509 116.236 114.554 0.288 0.000 2.867 119 T HA 0.493 4.843 4.350 -0.000 0.000 0.282 119 T C -0.197 174.479 174.700 -0.040 0.000 1.000 119 T CA -0.990 61.179 62.100 0.115 0.000 1.042 119 T CB 1.310 70.272 68.868 0.157 0.000 0.973 119 T HN 0.539 nan 8.240 nan 0.000 0.465 120 E N 1.622 121.607 120.200 -0.358 0.000 2.437 120 E HA 0.184 4.534 4.350 -0.000 0.000 0.263 120 E C 0.784 177.352 176.600 -0.054 0.000 1.030 120 E CA -0.238 55.932 56.400 -0.385 0.000 0.934 120 E CB 0.246 29.556 29.700 -0.650 0.000 0.943 120 E HN 0.636 nan 8.360 nan 0.000 0.444 121 S N 1.856 117.586 115.700 0.052 0.000 2.631 121 S HA 0.130 4.600 4.470 -0.000 0.000 0.217 121 S C 0.878 175.492 174.600 0.023 0.000 0.958 121 S CA -0.440 57.780 58.200 0.033 0.000 0.920 121 S CB 0.005 63.190 63.200 -0.025 0.000 0.776 121 S HN 0.455 nan 8.310 nan 0.000 0.517 122 R N -0.047 120.456 120.500 0.005 0.000 2.453 122 R HA 0.340 4.680 4.340 -0.000 0.000 0.233 122 R C 1.397 177.549 176.300 -0.247 0.000 0.895 122 R CA 0.728 56.743 56.100 -0.143 0.000 1.028 122 R CB 0.193 30.302 30.300 -0.318 0.000 1.255 122 R HN 0.558 nan 8.270 nan 0.000 0.571 123 G N 0.662 109.369 108.800 -0.156 0.000 2.163 123 G HA2 -0.249 3.710 3.960 -0.000 0.000 0.213 123 G HA3 -0.249 3.710 3.960 -0.000 0.000 0.213 123 G C 0.670 175.565 174.900 -0.008 0.000 0.991 123 G CA -0.053 45.009 45.100 -0.063 0.000 0.653 123 G HN 0.282 nan 8.290 nan 0.000 0.518 124 F N 1.083 121.093 119.950 0.099 0.000 2.365 124 F HA 0.279 4.806 4.527 -0.000 0.000 0.300 124 F C 1.896 177.739 175.800 0.072 0.000 1.090 124 F CA 1.490 59.562 58.000 0.120 0.000 1.408 124 F CB 0.458 39.518 39.000 0.099 0.000 1.060 124 F HN 0.299 nan 8.300 nan 0.000 0.534 125 S N -0.025 115.799 115.700 0.207 0.000 2.317 125 S HA 0.332 4.802 4.470 -0.000 0.000 0.144 125 S C -2.743 171.963 174.600 0.176 0.000 1.660 125 S CA -1.454 56.860 58.200 0.190 0.000 1.273 125 S CB -0.029 63.278 63.200 0.178 0.000 1.330 125 S HN -0.260 nan 8.310 nan 0.000 0.395 126 P HA 0.113 nan 4.420 nan 0.000 0.262 126 P C -0.954 176.454 177.300 0.180 0.000 1.199 126 P CA -0.008 63.194 63.100 0.169 0.000 0.763 126 P CB 0.702 32.545 31.700 0.239 0.000 0.790 127 V N 5.130 125.083 119.914 0.066 0.000 2.495 127 V HA 0.336 4.456 4.120 -0.000 0.000 0.298 127 V C -0.080 175.947 176.094 -0.113 0.000 1.031 127 V CA -0.457 61.866 62.300 0.038 0.000 0.871 127 V CB 1.351 33.198 31.823 0.040 0.000 0.988 127 V HN 0.556 nan 8.190 nan 0.000 0.432 128 H N 1.683 120.723 119.070 -0.049 0.000 2.621 128 H HA 0.732 5.288 4.556 -0.000 0.000 0.360 128 H C -0.749 174.526 175.328 -0.089 0.000 1.163 128 H CA -0.526 55.484 56.048 -0.062 0.000 1.194 128 H CB 2.151 31.883 29.762 -0.050 0.000 1.649 128 H HN 0.416 nan 8.280 nan 0.000 0.532 129 V N 3.624 123.548 119.914 0.016 0.000 2.378 129 V HA 0.333 4.453 4.120 -0.000 0.000 0.288 129 V C -0.632 175.463 176.094 0.003 0.000 1.016 129 V CA -0.708 61.582 62.300 -0.017 0.000 0.840 129 V CB 1.387 33.163 31.823 -0.078 0.000 0.994 129 V HN 0.622 nan 8.190 nan 0.000 0.431 130 V N 3.136 123.062 119.914 0.021 0.000 2.555 130 V HA 0.738 4.858 4.120 -0.000 0.000 0.302 130 V C -0.541 175.548 176.094 -0.009 0.000 1.038 130 V CA -0.861 61.415 62.300 -0.039 0.000 0.887 130 V CB 1.771 33.525 31.823 -0.115 0.000 0.991 130 V HN 0.799 nan 8.190 nan 0.000 0.434 131 Q N 3.448 123.185 119.800 -0.104 0.000 2.465 131 Q HA 0.707 5.047 4.340 -0.000 0.000 0.237 131 Q C 0.087 175.972 176.000 -0.192 0.000 1.051 131 Q CA 0.606 56.356 55.803 -0.088 0.000 0.874 131 Q CB 0.768 29.450 28.738 -0.094 0.000 1.207 131 Q HN 1.166 nan 8.270 nan 0.000 0.508 132 G N 2.281 111.050 108.800 -0.051 0.000 3.099 132 G HA2 0.178 4.138 3.960 -0.000 0.000 0.151 132 G HA3 0.178 4.138 3.960 -0.000 0.000 0.151 132 G C 0.053 174.967 174.900 0.023 0.000 1.265 132 G CA -0.485 44.553 45.100 -0.103 0.000 0.981 132 G HN 0.566 nan 8.290 nan 0.000 0.601 133 K N -0.095 120.352 120.400 0.078 0.000 2.074 133 K HA -0.051 4.269 4.320 -0.000 0.000 0.209 133 K C 0.719 177.379 176.600 0.100 0.000 1.048 133 K CA 1.197 57.539 56.287 0.092 0.000 0.926 133 K CB -0.116 32.446 32.500 0.103 0.000 0.713 133 K HN 0.160 nan 8.250 nan 0.000 0.444 134 K N -0.565 119.931 120.400 0.159 0.000 2.346 134 K HA 0.512 4.832 4.320 -0.000 0.000 0.238 134 K C -1.172 175.463 176.600 0.059 0.000 1.039 134 K CA -0.869 55.447 56.287 0.048 0.000 0.861 134 K CB 1.947 34.385 32.500 -0.104 0.000 1.278 134 K HN -0.029 nan 8.250 nan 0.000 0.460 135 A N 0.917 123.711 122.820 -0.043 0.000 2.301 135 A HA 0.496 4.815 4.320 -0.000 0.000 0.298 135 A C -1.577 175.897 177.584 -0.184 0.000 1.185 135 A CA -0.354 51.676 52.037 -0.011 0.000 0.830 135 A CB -0.065 18.939 19.000 0.007 0.000 1.112 135 A HN 0.552 nan 8.150 nan 0.000 0.508 136 W N 1.200 122.457 121.300 -0.070 0.000 2.761 136 W HA 0.659 5.319 4.660 -0.000 0.000 0.340 136 W C -0.045 176.399 176.519 -0.124 0.000 1.072 136 W CA -0.468 56.819 57.345 -0.096 0.000 1.215 136 W CB 1.853 31.237 29.460 -0.126 0.000 1.420 136 W HN 0.516 nan 8.180 nan 0.000 0.519 137 M N 3.553 123.182 119.600 0.047 0.000 2.134 137 M HA 0.492 4.972 4.480 -0.000 0.000 0.310 137 M C -0.922 175.293 176.300 -0.143 0.000 0.966 137 M CA 0.057 55.321 55.300 -0.060 0.000 0.922 137 M CB 1.540 34.064 32.600 -0.126 0.000 1.537 137 M HN 0.488 nan 8.290 nan 0.000 0.424 138 T N 1.864 116.315 114.554 -0.171 0.000 2.868 138 T HA 0.417 4.767 4.350 -0.000 0.000 0.306 138 T C -0.176 174.369 174.700 -0.259 0.000 1.224 138 T CA -0.624 61.266 62.100 -0.351 0.000 1.012 138 T CB 1.063 69.804 68.868 -0.212 0.000 1.221 138 T HN 0.803 nan 8.240 nan 0.000 0.499 139 N N 1.111 119.606 118.700 -0.341 0.000 2.214 139 N HA 0.216 4.956 4.740 -0.000 0.000 0.214 139 N C -0.371 175.136 175.510 -0.005 0.000 1.132 139 N CA -0.380 52.669 53.050 -0.001 0.000 0.856 139 N CB 0.805 39.430 38.487 0.231 0.000 1.020 139 N HN 0.275 nan 8.380 nan 0.000 0.509 140 S N 0.510 116.105 115.700 -0.175 0.000 2.571 140 S HA 0.351 4.821 4.470 -0.000 0.000 0.238 140 S C 0.685 175.103 174.600 -0.304 0.000 1.153 140 S CA -0.657 57.384 58.200 -0.265 0.000 1.141 140 S CB -0.228 62.717 63.200 -0.426 0.000 1.133 140 S HN 0.176 nan 8.310 nan 0.000 0.464 141 L N 4.154 125.216 121.223 -0.268 0.000 2.129 141 L HA -0.181 4.159 4.340 -0.000 0.000 0.212 141 L C 2.606 179.283 176.870 -0.322 0.000 1.087 141 L CA 1.782 56.439 54.840 -0.304 0.000 0.757 141 L CB -0.447 41.435 42.059 -0.294 0.000 0.896 141 L HN 0.696 nan 8.230 nan 0.000 0.434 142 K N 0.490 120.696 120.400 -0.323 0.000 2.280 142 K HA -0.153 4.167 4.320 -0.000 0.000 0.202 142 K C 1.884 178.287 176.600 -0.329 0.000 1.047 142 K CA 1.252 57.379 56.287 -0.266 0.000 0.942 142 K CB -0.368 31.994 32.500 -0.230 0.000 0.739 142 K HN 0.320 nan 8.250 nan 0.000 0.457 143 L N 1.235 122.154 121.223 -0.505 0.000 2.201 143 L HA -0.119 4.221 4.340 -0.000 0.000 0.212 143 L C 2.321 178.851 176.870 -0.568 0.000 1.105 143 L CA 0.490 55.009 54.840 -0.534 0.000 0.775 143 L CB -0.304 41.462 42.059 -0.488 0.000 0.913 143 L HN 0.025 nan 8.230 nan 0.000 0.440 144 V N -0.910 118.612 119.914 -0.653 0.000 2.453 144 V HA -0.213 3.907 4.120 -0.000 0.000 0.247 144 V C 2.506 178.222 176.094 -0.631 0.000 1.048 144 V CA 2.080 63.795 62.300 -0.974 0.000 1.049 144 V CB -0.551 30.735 31.823 -0.896 0.000 0.672 144 V HN 0.430 nan 8.190 nan 0.000 0.457 145 T N 0.661 114.988 114.554 -0.380 0.000 2.746 145 T HA -0.145 4.205 4.350 -0.000 0.000 0.267 145 T C 2.068 176.669 174.700 -0.164 0.000 1.039 145 T CA 1.609 63.579 62.100 -0.216 0.000 1.142 145 T CB -0.396 68.409 68.868 -0.105 0.000 0.866 145 T HN 0.553 nan 8.240 nan 0.000 0.444 146 A N 1.069 123.814 122.820 -0.126 0.000 1.972 146 A HA 0.181 4.501 4.320 -0.000 0.000 0.219 146 A C 2.502 180.004 177.584 -0.138 0.000 1.169 146 A CA 1.785 53.791 52.037 -0.051 0.000 0.635 146 A CB -0.777 18.311 19.000 0.146 0.000 0.810 146 A HN 0.516 nan 8.150 nan 0.000 0.446 147 A N -0.639 122.023 122.820 -0.263 0.000 1.887 147 A HA 0.044 4.364 4.320 -0.000 0.000 0.212 147 A C 1.790 179.297 177.584 -0.128 0.000 1.198 147 A CA 1.202 53.108 52.037 -0.218 0.000 0.628 147 A CB -0.142 18.638 19.000 -0.368 0.000 0.847 147 A HN 0.524 nan 8.150 nan 0.000 0.449 148 E N -1.165 118.921 120.200 -0.191 0.000 2.498 148 E HA 0.393 4.743 4.350 -0.000 0.000 0.203 148 E C 0.549 177.106 176.600 -0.071 0.000 1.013 148 E CA 0.202 56.547 56.400 -0.091 0.000 0.927 148 E CB 0.534 30.181 29.700 -0.089 0.000 1.012 148 E HN 0.661 nan 8.360 nan 0.000 0.482 149 G N 1.828 110.575 108.800 -0.089 0.000 2.555 149 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.686 149 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.686 149 G C 0.205 175.080 174.900 -0.041 0.000 1.275 149 G CA -0.185 44.885 45.100 -0.050 0.000 0.871 149 G HN 0.112 nan 8.290 nan 0.000 0.603 150 E N -0.346 119.847 120.200 -0.013 0.000 2.187 150 E HA -0.153 4.197 4.350 -0.000 0.000 0.199 150 E C 2.187 178.812 176.600 0.041 0.000 1.004 150 E CA 1.996 58.404 56.400 0.013 0.000 0.813 150 E CB -0.487 29.224 29.700 0.017 0.000 0.736 150 E HN 0.951 nan 8.360 nan 0.000 0.468 151 G N -0.604 108.224 108.800 0.047 0.000 3.141 151 G HA2 0.213 4.173 3.960 -0.000 0.000 0.218 151 G HA3 0.213 4.173 3.960 -0.000 0.000 0.218 151 G C 1.263 176.224 174.900 0.103 0.000 1.170 151 G CA 0.391 45.554 45.100 0.105 0.000 0.769 151 G HN 0.311 nan 8.290 nan 0.000 0.546 152 A N 0.280 123.085 122.820 -0.026 0.000 1.972 152 A HA 0.244 4.564 4.320 -0.000 0.000 0.219 152 A C 1.126 178.527 177.584 -0.305 0.000 1.169 152 A CA 0.486 52.430 52.037 -0.156 0.000 0.635 152 A CB -0.141 18.719 19.000 -0.233 0.000 0.810 152 A HN 0.339 nan 8.150 nan 0.000 0.446 153 L N -0.030 121.042 121.223 -0.252 0.000 2.282 153 L HA 0.300 4.640 4.340 -0.000 0.000 0.288 153 L C -0.997 175.684 176.870 -0.315 0.000 1.033 153 L CA -0.824 53.742 54.840 -0.457 0.000 0.807 153 L CB 0.943 42.640 42.059 -0.603 0.000 1.209 153 L HN 0.358 nan 8.230 nan 0.000 0.423 154 W N 3.304 124.328 121.300 -0.458 0.000 2.291 154 W HA 0.406 5.065 4.660 -0.000 0.000 0.312 154 W C -0.505 175.775 176.519 -0.398 0.000 1.061 154 W CA -1.288 55.873 57.345 -0.307 0.000 1.296 154 W CB 0.283 29.651 29.460 -0.153 0.000 1.223 154 W HN 0.175 nan 8.180 nan 0.000 0.421 155 F N 2.115 122.191 119.950 0.210 0.000 2.385 155 F HA 0.221 4.748 4.527 -0.000 0.000 0.336 155 F C 1.247 177.151 175.800 0.172 0.000 1.100 155 F CA -0.615 57.492 58.000 0.177 0.000 1.116 155 F CB 0.788 39.862 39.000 0.123 0.000 1.166 155 F HN 0.103 nan 8.300 nan 0.000 0.511 156 E N 1.778 122.210 120.200 0.387 0.000 2.374 156 E HA 0.049 4.399 4.350 -0.000 0.000 0.260 156 E C -0.210 176.586 176.600 0.327 0.000 1.101 156 E CA -0.318 56.237 56.400 0.258 0.000 0.907 156 E CB 0.626 30.416 29.700 0.150 0.000 1.014 156 E HN 0.452 nan 8.360 nan 0.000 0.427 157 E N 1.868 122.194 120.200 0.210 0.000 2.465 157 E HA -0.111 4.239 4.350 -0.000 0.000 0.260 157 E C 1.180 177.939 176.600 0.265 0.000 0.980 157 E CA 0.342 56.859 56.400 0.195 0.000 0.927 157 E CB 0.359 30.127 29.700 0.114 0.000 0.934 157 E HN 0.537 nan 8.360 nan 0.000 0.459 158 E N 2.956 123.357 120.200 0.334 0.000 2.171 158 E HA -0.259 4.091 4.350 -0.000 0.000 0.197 158 E C 1.591 178.304 176.600 0.188 0.000 0.997 158 E CA 1.446 58.086 56.400 0.399 0.000 0.810 158 E CB -0.129 29.779 29.700 0.347 0.000 0.738 158 E HN 0.466 nan 8.360 nan 0.000 0.467 159 A N 1.043 123.941 122.820 0.130 0.000 1.933 159 A HA -0.124 4.196 4.320 -0.000 0.000 0.218 159 A C 2.137 179.755 177.584 0.057 0.000 1.175 159 A CA 1.276 53.362 52.037 0.081 0.000 0.628 159 A CB -0.341 18.697 19.000 0.063 0.000 0.814 159 A HN 0.235 nan 8.150 nan 0.000 0.444 160 L N -0.954 120.306 121.223 0.061 0.000 2.270 160 L HA 0.005 4.345 4.340 -0.000 0.000 0.210 160 L C 2.317 179.189 176.870 0.003 0.000 1.104 160 L CA 1.006 55.868 54.840 0.036 0.000 0.804 160 L CB -0.407 41.684 42.059 0.054 0.000 0.937 160 L HN 0.196 nan 8.230 nan 0.000 0.450 161 V N -2.233 117.663 119.914 -0.029 0.000 2.649 161 V HA -0.154 3.966 4.120 -0.000 0.000 0.248 161 V C 1.762 177.789 176.094 -0.112 0.000 1.054 161 V CA 1.043 63.252 62.300 -0.152 0.000 1.073 161 V CB -0.216 31.266 31.823 -0.568 0.000 0.699 161 V HN 0.477 nan 8.190 nan 0.000 0.463 162 C N 1.069 120.354 119.300 -0.026 0.000 2.693 162 C HA 0.107 4.567 4.460 -0.000 0.000 0.286 162 C C 2.304 177.313 174.990 0.032 0.000 1.277 162 C CA -0.142 58.898 59.018 0.038 0.000 1.705 162 C CB -1.536 26.263 27.740 0.097 0.000 1.879 162 C HN 0.742 nan 8.230 nan 0.000 0.607 163 Q N 0.182 119.981 119.800 -0.001 0.000 2.425 163 Q HA 0.138 4.478 4.340 -0.000 0.000 0.204 163 Q C 0.639 176.628 176.000 -0.018 0.000 0.933 163 Q CA 0.754 56.556 55.803 -0.002 0.000 0.939 163 Q CB 0.300 29.033 28.738 -0.008 0.000 1.044 163 Q HN 0.414 nan 8.270 nan 0.000 0.513 164 S N -0.216 115.459 115.700 -0.041 0.000 2.579 164 S HA 0.457 4.927 4.470 -0.000 0.000 0.272 164 S C -0.650 173.939 174.600 -0.020 0.000 1.141 164 S CA -0.887 57.283 58.200 -0.049 0.000 0.843 164 S CB 1.301 64.436 63.200 -0.109 0.000 1.122 164 S HN 0.313 nan 8.310 nan 0.000 0.468 165 L N 0.888 122.126 121.223 0.025 0.000 2.766 165 L HA 0.659 4.999 4.340 -0.000 0.000 0.242 165 L C -0.180 176.814 176.870 0.207 0.000 1.136 165 L CA 0.011 54.922 54.840 0.118 0.000 0.933 165 L CB -0.061 42.044 42.059 0.077 0.000 1.241 165 L HN 0.384 nan 8.230 nan 0.000 0.522 166 M N 1.421 121.077 119.600 0.092 0.000 2.197 166 M HA 0.619 5.099 4.480 -0.000 0.000 0.301 166 M C -0.603 175.650 176.300 -0.078 0.000 0.987 166 M CA -0.151 55.236 55.300 0.145 0.000 0.921 166 M CB 2.275 34.933 32.600 0.096 0.000 1.569 166 M HN 0.102 nan 8.290 nan 0.000 0.431 167 R N 0.869 121.263 120.500 -0.176 0.000 2.855 167 R HA 0.873 5.213 4.340 -0.000 0.000 0.266 167 R C -0.642 175.558 176.300 -0.165 0.000 1.034 167 R CA -0.965 54.831 56.100 -0.507 0.000 0.944 167 R CB 1.541 31.051 30.300 -1.317 0.000 1.219 167 R HN 0.784 nan 8.270 nan 0.000 0.474 168 A N 0.691 123.468 122.820 -0.072 0.000 2.366 168 A HA 0.107 4.427 4.320 -0.000 0.000 0.249 168 A C 0.545 178.229 177.584 0.167 0.000 1.084 168 A CA 0.036 52.188 52.037 0.192 0.000 0.794 168 A CB 0.037 19.121 19.000 0.139 0.000 1.034 168 A HN 0.758 nan 8.150 nan 0.000 0.491 169 D N -0.136 120.416 120.400 0.252 0.000 2.378 169 D HA -0.093 4.547 4.640 -0.000 0.000 0.227 169 D C 1.024 177.408 176.300 0.141 0.000 1.012 169 D CA 1.292 55.368 54.000 0.127 0.000 0.905 169 D CB -0.610 40.094 40.800 -0.160 0.000 0.895 169 D HN 0.455 nan 8.370 nan 0.000 0.532 170 T N -4.432 110.198 114.554 0.126 0.000 3.085 170 T HA 0.104 4.454 4.350 -0.000 0.000 0.264 170 T C 0.223 174.961 174.700 0.063 0.000 1.019 170 T CA -0.831 61.313 62.100 0.074 0.000 0.910 170 T CB -0.858 68.046 68.868 0.059 0.000 1.059 170 T HN 0.165 nan 8.240 nan 0.000 0.542 171 Y N 2.496 122.776 120.300 -0.033 0.000 2.425 171 Y HA 0.467 5.017 4.550 -0.000 0.000 0.331 171 Y C 0.136 176.057 175.900 0.036 0.000 1.157 171 Y CA 0.254 58.307 58.100 -0.077 0.000 1.372 171 Y CB 0.895 39.190 38.460 -0.275 0.000 1.253 171 Y HN 0.172 nan 8.280 nan 0.000 0.536 172 T N 7.581 121.603 114.554 -0.887 0.000 2.993 172 T HA 0.344 4.694 4.350 -0.000 0.000 0.312 172 T C -2.375 171.770 174.700 -0.924 0.000 1.115 172 T CA -1.770 59.989 62.100 -0.568 0.000 1.027 172 T CB 1.681 70.536 68.868 -0.021 0.000 1.116 172 T HN 0.570 nan 8.240 nan 0.000 0.464 173 P HA 0.176 nan 4.420 nan 0.000 0.249 173 P C 0.039 177.287 177.300 -0.087 0.000 1.229 173 P CA 0.035 62.864 63.100 -0.452 0.000 0.788 173 P CB 0.159 31.515 31.700 -0.572 0.000 1.072 174 V N 1.956 121.793 119.914 -0.128 0.000 2.334 174 V HA 0.131 4.250 4.120 -0.000 0.000 0.267 174 V C 1.703 177.717 176.094 -0.133 0.000 1.040 174 V CA -0.188 62.010 62.300 -0.169 0.000 0.866 174 V CB 0.760 32.427 31.823 -0.259 0.000 1.019 174 V HN -0.014 nan 8.190 nan 0.000 0.468 175 K N 3.226 123.595 120.400 -0.051 0.000 2.074 175 K HA -0.156 4.164 4.320 -0.000 0.000 0.209 175 K C 1.349 177.954 176.600 0.008 0.000 1.048 175 K CA 1.731 58.035 56.287 0.029 0.000 0.926 175 K CB -0.063 32.532 32.500 0.159 0.000 0.713 175 K HN 0.818 nan 8.250 nan 0.000 0.444 176 N N 0.287 118.928 118.700 -0.098 0.000 2.346 176 N HA 0.100 4.840 4.740 -0.000 0.000 0.225 176 N C -0.587 174.778 175.510 -0.242 0.000 1.144 176 N CA 0.009 52.894 53.050 -0.277 0.000 0.837 176 N CB 0.559 38.531 38.487 -0.860 0.000 1.069 176 N HN 0.011 nan 8.380 nan 0.000 0.487 177 A N -0.205 122.527 122.820 -0.146 0.000 2.527 177 A HA 0.611 4.931 4.320 -0.000 0.000 0.293 177 A C -1.247 176.316 177.584 -0.035 0.000 1.117 177 A CA -0.722 51.262 52.037 -0.088 0.000 0.723 177 A CB 2.042 20.995 19.000 -0.079 0.000 1.313 177 A HN 0.231 nan 8.150 nan 0.000 0.411 178 Q N 0.603 120.397 119.800 -0.009 0.000 2.304 178 Q HA 0.459 4.799 4.340 -0.000 0.000 0.270 178 Q C -0.932 175.017 176.000 -0.084 0.000 1.035 178 Q CA -0.618 55.161 55.803 -0.041 0.000 0.781 178 Q CB 1.654 30.357 28.738 -0.058 0.000 1.261 178 Q HN 0.756 nan 8.270 nan 0.000 0.444 179 R N 4.785 125.192 120.500 -0.156 0.000 2.216 179 R HA 0.322 4.662 4.340 -0.000 0.000 0.332 179 R C -0.639 175.521 176.300 -0.233 0.000 1.056 179 R CA -0.261 55.599 56.100 -0.400 0.000 0.901 179 R CB 0.398 30.497 30.300 -0.335 0.000 1.039 179 R HN 0.607 nan 8.270 nan 0.000 0.456 180 L N 4.755 125.816 121.223 -0.271 0.000 2.455 180 L HA 0.110 4.450 4.340 -0.000 0.000 0.272 180 L C 0.732 177.572 176.870 -0.049 0.000 1.174 180 L CA 0.101 54.797 54.840 -0.241 0.000 0.869 180 L CB 0.519 42.268 42.059 -0.516 0.000 1.130 180 L HN 0.598 nan 8.230 nan 0.000 0.474 181 K N 5.275 125.754 120.400 0.132 0.000 2.451 181 K HA 0.127 4.447 4.320 -0.000 0.000 0.280 181 K C -2.310 174.383 176.600 0.154 0.000 1.020 181 K CA -1.235 55.135 56.287 0.137 0.000 1.008 181 K CB 0.651 33.237 32.500 0.144 0.000 0.917 181 K HN 0.200 nan 8.250 nan 0.000 0.478 182 P HA 0.076 nan 4.420 nan 0.000 0.271 182 P C -0.505 176.829 177.300 0.058 0.000 1.216 182 P CA 0.323 63.459 63.100 0.059 0.000 0.776 182 P CB 0.996 32.704 31.700 0.013 0.000 0.881 183 G N 1.299 110.135 108.800 0.060 0.000 2.289 183 G HA2 0.081 4.040 3.960 -0.000 0.000 0.280 183 G HA3 0.081 4.040 3.960 -0.000 0.000 0.280 183 G C -0.018 174.899 174.900 0.028 0.000 1.089 183 G CA 0.002 45.127 45.100 0.040 0.000 0.939 183 G HN 0.808 nan 8.290 nan 0.000 0.499 184 A N -1.556 121.284 122.820 0.034 0.000 2.606 184 A HA 0.951 5.271 4.320 -0.000 0.000 0.293 184 A C -0.363 177.062 177.584 -0.264 0.000 1.082 184 A CA 0.029 51.984 52.037 -0.135 0.000 0.685 184 A CB 2.114 20.975 19.000 -0.232 0.000 1.284 184 A HN 1.806 nan 8.150 nan 0.000 0.408 185 V N 2.231 121.952 119.914 -0.322 0.000 2.532 185 V HA 0.697 4.817 4.120 -0.000 0.000 0.295 185 V C -1.061 174.777 176.094 -0.427 0.000 1.041 185 V CA -0.355 61.842 62.300 -0.172 0.000 0.926 185 V CB 1.312 33.160 31.823 0.041 0.000 0.992 185 V HN 0.872 nan 8.190 nan 0.000 0.457 186 H N 4.882 124.000 119.070 0.080 0.000 2.782 186 H HA 0.463 5.019 4.556 -0.000 0.000 0.347 186 H C -1.187 174.149 175.328 0.013 0.000 1.038 186 H CA -0.565 55.493 56.048 0.016 0.000 1.255 186 H CB 2.006 31.768 29.762 -0.000 0.000 1.623 186 H HN 0.483 nan 8.280 nan 0.000 0.525 187 V N 4.422 124.375 119.914 0.065 0.000 2.347 187 V HA 0.093 4.213 4.120 -0.000 0.000 0.280 187 V C 0.017 176.087 176.094 -0.040 0.000 1.021 187 V CA -0.724 61.595 62.300 0.032 0.000 0.847 187 V CB 1.329 33.164 31.823 0.021 0.000 0.990 187 V HN 0.427 nan 8.190 nan 0.000 0.444 188 L N 6.414 127.611 121.223 -0.043 0.000 2.358 188 L HA 0.347 4.687 4.340 -0.000 0.000 0.274 188 L C 0.985 177.767 176.870 -0.147 0.000 1.136 188 L CA 0.613 55.375 54.840 -0.130 0.000 0.970 188 L CB 0.507 42.488 42.059 -0.131 0.000 1.314 188 L HN 0.913 nan 8.230 nan 0.000 0.427 189 T N -0.946 113.514 114.554 -0.157 0.000 2.884 189 T HA 0.626 4.976 4.350 -0.000 0.000 0.277 189 T C -0.273 174.243 174.700 -0.307 0.000 0.976 189 T CA -0.575 61.479 62.100 -0.077 0.000 0.956 189 T CB 1.125 70.029 68.868 0.061 0.000 1.113 189 T HN 0.446 nan 8.240 nan 0.000 0.554 190 H N 0.250 119.304 119.070 -0.028 0.000 2.877 190 H HA 0.448 5.004 4.556 -0.000 0.000 0.347 190 H C -0.621 174.729 175.328 0.037 0.000 1.042 190 H CA -0.655 55.375 56.048 -0.030 0.000 1.276 190 H CB 1.259 30.944 29.762 -0.128 0.000 1.681 190 H HN 0.881 nan 8.280 nan 0.000 0.521 191 D N 0.380 120.858 120.400 0.130 0.000 2.398 191 D HA 0.004 4.644 4.640 -0.000 0.000 0.264 191 D C 1.345 177.698 176.300 0.090 0.000 1.263 191 D CA -0.067 53.986 54.000 0.088 0.000 1.037 191 D CB 0.216 41.037 40.800 0.035 0.000 1.101 191 D HN 0.430 nan 8.370 nan 0.000 0.551 192 S N -1.358 114.380 115.700 0.063 0.000 2.420 192 S HA -0.202 4.268 4.470 -0.000 0.000 0.237 192 S C 1.039 175.674 174.600 0.059 0.000 1.023 192 S CA 0.928 59.160 58.200 0.054 0.000 0.991 192 S CB -0.420 62.803 63.200 0.038 0.000 0.792 192 S HN 0.513 nan 8.310 nan 0.000 0.488 193 E N 0.632 120.890 120.200 0.095 0.000 2.499 193 E HA 0.299 4.649 4.350 -0.000 0.000 0.199 193 E C 1.157 177.690 176.600 -0.111 0.000 1.016 193 E CA 0.356 56.791 56.400 0.057 0.000 0.933 193 E CB 0.075 29.906 29.700 0.218 0.000 1.050 193 E HN 0.658 nan 8.360 nan 0.000 0.462 194 G N 1.167 109.955 108.800 -0.019 0.000 2.155 194 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.257 194 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.257 194 G C -0.143 174.751 174.900 -0.011 0.000 0.983 194 G CA 0.132 45.223 45.100 -0.015 0.000 0.676 194 G HN 0.232 nan 8.290 nan 0.000 0.528 195 Y N 1.055 121.423 120.300 0.112 0.000 2.319 195 Y HA 0.554 5.104 4.550 -0.000 0.000 0.328 195 Y C 1.185 177.057 175.900 -0.046 0.000 1.133 195 Y CA 0.007 58.142 58.100 0.057 0.000 1.265 195 Y CB 1.408 39.878 38.460 0.018 0.000 1.218 195 Y HN 0.167 nan 8.280 nan 0.000 0.508 196 S N 3.869 119.578 115.700 0.015 0.000 2.549 196 S HA 0.217 4.686 4.470 -0.000 0.000 0.286 196 S C -1.057 173.538 174.600 -0.009 0.000 1.314 196 S CA -0.144 57.895 58.200 -0.269 0.000 1.062 196 S CB -0.302 62.778 63.200 -0.199 0.000 0.865 196 S HN 0.458 nan 8.310 nan 0.000 0.498 197 F N 6.036 125.832 119.950 -0.257 0.000 2.671 197 F HA 0.456 4.983 4.527 -0.000 0.000 0.332 197 F C -1.089 174.639 175.800 -0.120 0.000 1.189 197 F CA -0.964 56.958 58.000 -0.131 0.000 0.988 197 F CB 0.959 39.909 39.000 -0.083 0.000 1.258 197 F HN 0.328 nan 8.300 nan 0.000 0.471 198 V N 5.705 125.333 119.914 -0.476 0.000 2.432 198 V HA 0.281 4.401 4.120 -0.000 0.000 0.271 198 V C -0.244 175.473 176.094 -0.629 0.000 1.046 198 V CA -0.468 61.579 62.300 -0.423 0.000 0.945 198 V CB 1.091 32.787 31.823 -0.212 0.000 0.992 198 V HN 0.634 nan 8.190 nan 0.000 0.471 199 E N 3.359 123.288 120.200 -0.452 0.000 2.081 199 E HA 0.492 4.842 4.350 -0.000 0.000 0.276 199 E C -0.713 175.801 176.600 -0.144 0.000 0.950 199 E CA -0.276 55.909 56.400 -0.357 0.000 0.776 199 E CB 1.470 31.025 29.700 -0.241 0.000 1.094 199 E HN 0.625 nan 8.360 nan 0.000 0.402 200 S N 2.680 118.314 115.700 -0.110 0.000 2.532 200 S HA 0.572 5.042 4.470 -0.000 0.000 0.301 200 S C -0.433 174.099 174.600 -0.114 0.000 1.083 200 S CA -0.805 57.337 58.200 -0.097 0.000 1.025 200 S CB 1.727 64.950 63.200 0.038 0.000 1.056 200 S HN 0.432 nan 8.310 nan 0.000 0.494 201 R N 1.039 121.434 120.500 -0.174 0.000 2.533 201 R HA 0.371 4.711 4.340 -0.000 0.000 0.288 201 R C -0.767 175.463 176.300 -0.116 0.000 1.039 201 R CA -0.307 55.729 56.100 -0.106 0.000 0.909 201 R CB 1.606 31.862 30.300 -0.073 0.000 1.195 201 R HN 0.656 nan 8.270 nan 0.000 0.438 202 T N 3.251 117.766 114.554 -0.065 0.000 2.919 202 T HA 0.192 4.542 4.350 -0.000 0.000 0.302 202 T C 1.220 175.895 174.700 -0.041 0.000 1.031 202 T CA -0.178 61.894 62.100 -0.046 0.000 1.127 202 T CB 0.483 69.343 68.868 -0.014 0.000 0.952 202 T HN 0.582 nan 8.240 nan 0.000 0.540 203 L N 3.506 124.710 121.223 -0.032 0.000 2.567 203 L HA 0.226 4.566 4.340 -0.000 0.000 0.225 203 L C 1.369 178.221 176.870 -0.031 0.000 1.119 203 L CA -0.016 54.810 54.840 -0.024 0.000 0.871 203 L CB -0.159 41.899 42.059 -0.001 0.000 1.036 203 L HN 0.730 nan 8.230 nan 0.000 0.459 204 T N -2.754 111.779 114.554 -0.034 0.000 2.926 204 T HA 0.642 4.992 4.350 -0.000 0.000 0.289 204 T C -0.086 174.593 174.700 -0.035 0.000 1.054 204 T CA -0.566 61.507 62.100 -0.045 0.000 1.015 204 T CB 2.298 71.129 68.868 -0.062 0.000 1.167 204 T HN 0.041 nan 8.240 nan 0.000 0.526 205 T N -1.197 113.332 114.554 -0.043 0.000 2.906 205 T HA 0.688 5.038 4.350 -0.000 0.000 0.295 205 T C -2.980 171.691 174.700 -0.048 0.000 1.061 205 T CA -1.595 60.485 62.100 -0.034 0.000 1.000 205 T CB 0.316 69.166 68.868 -0.030 0.000 1.103 205 T HN 0.556 nan 8.240 nan 0.000 0.486 206 P HA 0.416 nan 4.420 nan 0.000 0.261 206 P C -0.226 177.034 177.300 -0.067 0.000 1.183 206 P CA -0.150 62.918 63.100 -0.053 0.000 0.761 206 P CB 0.004 31.690 31.700 -0.024 0.000 0.785 207 A N 3.115 125.853 122.820 -0.137 0.000 2.346 207 A HA 0.351 4.671 4.320 -0.000 0.000 0.252 207 A C 0.705 178.292 177.584 0.004 0.000 1.089 207 A CA -0.282 51.685 52.037 -0.117 0.000 0.797 207 A CB 0.093 18.931 19.000 -0.269 0.000 1.047 207 A HN 0.511 nan 8.150 nan 0.000 0.494 208 S N -0.075 115.655 115.700 0.051 0.000 2.562 208 S HA 0.064 4.534 4.470 -0.000 0.000 0.281 208 S C 0.597 175.291 174.600 0.157 0.000 1.333 208 S CA -0.420 57.828 58.200 0.081 0.000 1.052 208 S CB -0.126 63.106 63.200 0.054 0.000 0.884 208 S HN 0.606 nan 8.310 nan 0.000 0.506 209 N N 2.546 121.304 118.700 0.098 0.000 2.235 209 N HA 0.097 4.837 4.740 -0.000 0.000 0.209 209 N C -0.443 175.054 175.510 -0.021 0.000 1.122 209 N CA -0.035 53.038 53.050 0.037 0.000 0.845 209 N CB 0.293 38.795 38.487 0.024 0.000 1.004 209 N HN 0.608 nan 8.380 nan 0.000 0.499 210 Q N 0.805 120.607 119.800 0.004 0.000 2.332 210 Q HA 0.098 4.438 4.340 -0.000 0.000 0.263 210 Q C 0.061 176.049 176.000 -0.020 0.000 0.979 210 Q CA -0.401 55.398 55.803 -0.008 0.000 0.885 210 Q CB 1.180 29.924 28.738 0.010 0.000 1.218 210 Q HN 0.082 nan 8.270 nan 0.000 0.405 211 L N 2.462 123.659 121.223 -0.043 0.000 2.578 211 L HA -0.079 4.261 4.340 -0.000 0.000 0.279 211 L C 0.360 177.242 176.870 0.019 0.000 1.227 211 L CA 0.859 55.665 54.840 -0.056 0.000 0.900 211 L CB -0.206 41.776 42.059 -0.128 0.000 1.144 211 L HN 0.434 nan 8.230 nan 0.000 0.496 212 L N 4.448 125.702 121.223 0.052 0.000 2.270 212 L HA 0.429 4.769 4.340 -0.000 0.000 0.286 212 L C 0.325 177.306 176.870 0.186 0.000 1.059 212 L CA -0.450 54.449 54.840 0.098 0.000 0.839 212 L CB 0.775 42.885 42.059 0.085 0.000 1.221 212 L HN 0.804 nan 8.230 nan 0.000 0.431 213 A N 5.931 128.857 122.820 0.177 0.000 3.260 213 A HA 0.266 4.586 4.320 -0.000 0.000 0.268 213 A C -0.271 177.411 177.584 0.164 0.000 1.491 213 A CA -0.475 51.687 52.037 0.208 0.000 1.181 213 A CB -0.287 18.811 19.000 0.164 0.000 1.137 213 A HN 0.636 nan 8.150 nan 0.000 0.642 214 L N 2.338 123.672 121.223 0.185 0.000 2.380 214 L HA 0.364 4.704 4.340 -0.000 0.000 0.273 214 L C -1.800 175.157 176.870 0.144 0.000 1.138 214 L CA -1.359 53.553 54.840 0.121 0.000 0.832 214 L CB 0.379 42.481 42.059 0.072 0.000 1.124 214 L HN 0.306 nan 8.230 nan 0.000 0.454 215 P HA 0.007 nan 4.420 nan 0.000 0.269 215 P C 0.128 177.477 177.300 0.080 0.000 1.209 215 P CA -0.182 62.973 63.100 0.091 0.000 0.776 215 P CB 0.644 32.375 31.700 0.051 0.000 0.876 216 R N 2.405 122.979 120.500 0.123 0.000 2.112 216 R HA -0.205 4.135 4.340 -0.000 0.000 0.242 216 R C 1.963 178.273 176.300 0.016 0.000 1.137 216 R CA 2.065 58.216 56.100 0.085 0.000 0.944 216 R CB -0.260 30.122 30.300 0.137 0.000 0.857 216 R HN 0.521 nan 8.270 nan 0.000 0.435 217 E N -0.409 119.806 120.200 0.026 0.000 2.049 217 E HA -0.186 4.164 4.350 -0.000 0.000 0.198 217 E C -0.595 176.001 176.600 -0.008 0.000 1.007 217 E CA 1.613 58.021 56.400 0.013 0.000 0.809 217 E CB -1.000 28.710 29.700 0.016 0.000 0.749 217 E HN 0.482 nan 8.360 nan 0.000 0.450 218 P HA -0.126 nan 4.420 nan 0.000 0.217 218 P C 1.688 178.956 177.300 -0.052 0.000 1.150 218 P CA 0.801 63.886 63.100 -0.025 0.000 0.832 218 P CB -0.043 31.652 31.700 -0.008 0.000 0.787 219 L N -0.877 120.307 121.223 -0.066 0.000 2.012 219 L HA -0.196 4.144 4.340 -0.000 0.000 0.210 219 L C 2.198 178.996 176.870 -0.120 0.000 1.073 219 L CA 1.782 56.551 54.840 -0.118 0.000 0.748 219 L CB -0.740 41.173 42.059 -0.245 0.000 0.891 219 L HN -0.025 nan 8.230 nan 0.000 0.431 220 L N -0.582 120.587 121.223 -0.090 0.000 2.083 220 L HA -0.199 4.141 4.340 -0.000 0.000 0.209 220 L C 2.796 179.601 176.870 -0.108 0.000 1.083 220 L CA 1.110 55.908 54.840 -0.070 0.000 0.752 220 L CB -0.657 41.421 42.059 0.032 0.000 0.899 220 L HN 0.322 nan 8.230 nan 0.000 0.433 221 A N 0.014 122.783 122.820 -0.085 0.000 1.902 221 A HA -0.147 4.173 4.320 -0.000 0.000 0.217 221 A C 2.234 179.694 177.584 -0.207 0.000 1.181 221 A CA 1.329 53.304 52.037 -0.104 0.000 0.623 221 A CB -0.577 18.379 19.000 -0.073 0.000 0.818 221 A HN 0.344 nan 8.150 nan 0.000 0.443 222 L N -0.617 120.468 121.223 -0.230 0.000 2.027 222 L HA -0.150 4.190 4.340 -0.000 0.000 0.206 222 L C 2.498 179.102 176.870 -0.444 0.000 1.074 222 L CA 1.203 55.803 54.840 -0.400 0.000 0.745 222 L CB -0.533 41.402 42.059 -0.206 0.000 0.898 222 L HN 0.357 nan 8.230 nan 0.000 0.433 223 I N 0.233 120.649 120.570 -0.256 0.000 2.151 223 I HA -0.375 3.795 4.170 -0.000 0.000 0.243 223 I C 2.252 178.101 176.117 -0.446 0.000 1.080 223 I CA 1.906 63.053 61.300 -0.255 0.000 1.339 223 I CB -0.381 37.420 38.000 -0.331 0.000 1.039 223 I HN 0.367 nan 8.210 nan 0.000 0.409 224 D N 0.697 120.767 120.400 -0.549 0.000 2.104 224 D HA -0.258 4.382 4.640 -0.000 0.000 0.194 224 D C 2.367 178.552 176.300 -0.191 0.000 0.994 224 D CA 1.491 55.272 54.000 -0.364 0.000 0.830 224 D CB -0.079 40.681 40.800 -0.066 0.000 0.959 224 D HN 0.074 nan 8.370 nan 0.000 0.452 225 R N -1.285 119.055 120.500 -0.268 0.000 2.083 225 R HA -0.184 4.156 4.340 -0.000 0.000 0.237 225 R C 2.053 178.254 176.300 -0.165 0.000 1.137 225 R CA 1.420 57.369 56.100 -0.253 0.000 0.951 225 R CB -0.359 29.695 30.300 -0.410 0.000 0.851 225 R HN 0.328 nan 8.270 nan 0.000 0.434 226 Y N 0.408 120.663 120.300 -0.076 0.000 2.314 226 Y HA -0.069 4.481 4.550 -0.000 0.000 0.293 226 Y C 2.059 177.899 175.900 -0.101 0.000 1.129 226 Y CA 0.573 58.626 58.100 -0.078 0.000 1.201 226 Y CB -0.341 38.076 38.460 -0.072 0.000 0.999 226 Y HN 0.063 nan 8.280 nan 0.000 0.541 227 L N -0.353 120.863 121.223 -0.012 0.000 2.313 227 L HA -0.121 4.219 4.340 -0.000 0.000 0.214 227 L C 1.736 178.570 176.870 -0.060 0.000 1.119 227 L CA 0.791 55.566 54.840 -0.108 0.000 0.809 227 L CB -0.204 41.728 42.059 -0.212 0.000 0.933 227 L HN 0.274 nan 8.230 nan 0.000 0.449 228 N N -0.365 118.323 118.700 -0.020 0.000 2.409 228 N HA 0.029 4.769 4.740 -0.000 0.000 0.174 228 N C 1.879 177.338 175.510 -0.085 0.000 1.037 228 N CA 0.889 53.922 53.050 -0.029 0.000 0.898 228 N CB 0.335 38.880 38.487 0.096 0.000 1.010 228 N HN 0.193 nan 8.380 nan 0.000 0.445 229 A N 2.557 125.369 122.820 -0.014 0.000 1.873 229 A HA -0.111 4.209 4.320 -0.000 0.000 0.218 229 A C -0.302 177.264 177.584 -0.031 0.000 1.193 229 A CA 1.568 53.610 52.037 0.008 0.000 0.629 229 A CB -1.611 17.438 19.000 0.081 0.000 0.826 229 A HN 0.162 nan 8.150 nan 0.000 0.447 230 P HA -0.125 nan 4.420 nan 0.000 0.218 230 P C 1.164 178.424 177.300 -0.067 0.000 1.148 230 P CA 0.825 63.899 63.100 -0.043 0.000 0.822 230 P CB -0.049 31.625 31.700 -0.043 0.000 0.784 231 L N -0.597 120.532 121.223 -0.158 0.000 2.156 231 L HA -0.093 4.247 4.340 -0.000 0.000 0.208 231 L C 2.082 178.724 176.870 -0.380 0.000 1.095 231 L CA 1.694 56.373 54.840 -0.269 0.000 0.770 231 L CB -1.395 40.309 42.059 -0.591 0.000 0.914 231 L HN 0.020 nan 8.230 nan 0.000 0.439 232 E N -0.855 119.158 120.200 -0.313 0.000 2.274 232 E HA -0.223 4.127 4.350 -0.000 0.000 0.194 232 E C 1.426 177.995 176.600 -0.051 0.000 0.996 232 E CA 1.026 57.338 56.400 -0.146 0.000 0.840 232 E CB -0.013 29.660 29.700 -0.045 0.000 0.772 232 E HN 0.493 nan 8.360 nan 0.000 0.491 233 D N 0.360 120.747 120.400 -0.022 0.000 2.183 233 D HA -0.056 4.584 4.640 -0.000 0.000 0.205 233 D C 1.741 178.088 176.300 0.078 0.000 0.962 233 D CA 0.672 54.690 54.000 0.029 0.000 0.849 233 D CB 0.198 41.022 40.800 0.039 0.000 0.978 233 D HN 0.069 nan 8.370 nan 0.000 0.488 234 L N -0.129 121.172 121.223 0.130 0.000 2.249 234 L HA 0.216 4.556 4.340 -0.000 0.000 0.207 234 L C 2.562 179.687 176.870 0.424 0.000 1.090 234 L CA 0.627 55.661 54.840 0.323 0.000 0.802 234 L CB -0.407 41.879 42.059 0.379 0.000 0.947 234 L HN 0.030 nan 8.230 nan 0.000 0.453 235 A N 1.202 124.114 122.820 0.152 0.000 1.903 235 A HA -0.182 4.138 4.320 -0.000 0.000 0.219 235 A C -0.060 177.573 177.584 0.081 0.000 1.191 235 A CA 2.023 54.017 52.037 -0.071 0.000 0.638 235 A CB -1.934 16.850 19.000 -0.359 0.000 0.823 235 A HN 0.275 nan 8.150 nan 0.000 0.451 236 P HA -0.146 nan 4.420 nan 0.000 0.221 236 P C 0.977 178.274 177.300 -0.006 0.000 1.145 236 P CA 1.494 64.603 63.100 0.015 0.000 0.795 236 P CB -0.037 31.662 31.700 -0.001 0.000 0.775 237 R N -2.722 117.775 120.500 -0.005 0.000 2.596 237 R HA 0.349 4.689 4.340 -0.000 0.000 0.369 237 R C -0.781 175.223 176.300 -0.493 0.000 1.042 237 R CA -0.193 55.769 56.100 -0.230 0.000 1.120 237 R CB -0.002 30.107 30.300 -0.319 0.000 1.353 237 R HN -0.001 nan 8.270 nan 0.000 0.564 238 F N 0.370 120.408 119.950 0.147 0.000 2.604 238 F HA 0.328 4.854 4.527 -0.000 0.000 0.316 238 F C 0.163 176.111 175.800 0.247 0.000 1.136 238 F CA -1.095 57.000 58.000 0.159 0.000 0.989 238 F CB 2.278 41.355 39.000 0.128 0.000 1.258 238 F HN -0.173 nan 8.300 nan 0.000 0.451 239 D N 0.555 121.167 120.400 0.353 0.000 2.324 239 D HA 0.074 4.714 4.640 -0.000 0.000 0.212 239 D C 0.203 176.649 176.300 0.244 0.000 0.984 239 D CA 0.941 55.104 54.000 0.272 0.000 0.885 239 D CB 0.655 41.553 40.800 0.163 0.000 0.996 239 D HN 0.365 nan 8.370 nan 0.000 0.505 240 T N 1.092 115.749 114.554 0.171 0.000 2.841 240 T HA 0.538 4.888 4.350 -0.000 0.000 0.283 240 T C -0.252 174.372 174.700 -0.126 0.000 1.000 240 T CA -0.560 61.569 62.100 0.049 0.000 0.977 240 T CB 2.944 71.842 68.868 0.049 0.000 0.979 240 T HN -0.298 nan 8.240 nan 0.000 0.446 241 V N 1.414 121.185 119.914 -0.238 0.000 2.841 241 V HA 0.808 4.928 4.120 -0.000 0.000 0.310 241 V C 0.450 176.434 176.094 -0.183 0.000 1.090 241 V CA -0.927 61.127 62.300 -0.410 0.000 0.930 241 V CB 2.332 33.643 31.823 -0.853 0.000 1.014 241 V HN 1.058 nan 8.190 nan 0.000 0.425 242 G N 3.495 112.205 108.800 -0.151 0.000 2.412 242 G HA2 0.741 4.701 3.960 -0.000 0.000 0.318 242 G HA3 0.741 4.701 3.960 -0.000 0.000 0.318 242 G C -1.087 173.823 174.900 0.017 0.000 1.146 242 G CA -0.416 44.706 45.100 0.037 0.000 0.882 242 G HN 0.413 nan 8.290 nan 0.000 0.501 243 I N 1.515 122.182 120.570 0.161 0.000 2.571 243 I HA 0.279 4.449 4.170 -0.000 0.000 0.289 243 I C -2.695 173.543 176.117 0.201 0.000 1.115 243 I CA -2.663 58.714 61.300 0.128 0.000 1.045 243 I CB 2.381 40.454 38.000 0.123 0.000 1.238 243 I HN 0.169 nan 8.210 nan 0.000 0.424 244 P HA 0.317 nan 4.420 nan 0.000 0.273 244 P C -0.289 177.109 177.300 0.163 0.000 1.428 244 P CA -0.119 63.063 63.100 0.138 0.000 0.995 244 P CB 0.361 32.092 31.700 0.051 0.000 1.286 245 L N 3.039 124.389 121.223 0.212 0.000 2.278 245 L HA 0.161 4.501 4.340 -0.000 0.000 0.287 245 L C 1.196 178.186 176.870 0.201 0.000 1.072 245 L CA 0.148 55.109 54.840 0.201 0.000 0.819 245 L CB 0.897 43.089 42.059 0.222 0.000 1.176 245 L HN 0.334 nan 8.230 nan 0.000 0.435 246 S N 0.879 116.670 115.700 0.151 0.000 2.539 246 S HA 0.170 4.640 4.470 -0.000 0.000 0.221 246 S C 1.244 175.929 174.600 0.142 0.000 0.987 246 S CA 0.194 58.470 58.200 0.127 0.000 0.929 246 S CB 0.715 63.961 63.200 0.076 0.000 0.832 246 S HN 0.975 nan 8.310 nan 0.000 0.492 247 G N 0.606 109.499 108.800 0.156 0.000 2.184 247 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.264 247 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.264 247 G C 0.498 175.461 174.900 0.104 0.000 0.975 247 G CA -0.046 45.162 45.100 0.179 0.000 0.642 247 G HN 1.141 nan 8.290 nan 0.000 0.536 248 G N -0.741 108.100 108.800 0.068 0.000 2.507 248 G HA2 0.543 4.503 3.960 -0.000 0.000 0.271 248 G HA3 0.543 4.503 3.960 -0.000 0.000 0.271 248 G C 1.133 176.062 174.900 0.049 0.000 1.189 248 G CA 0.048 45.161 45.100 0.021 0.000 0.859 248 G HN 0.597 nan 8.290 nan 0.000 0.542 249 L N 0.277 121.524 121.223 0.039 0.000 2.021 249 L HA -0.130 4.210 4.340 -0.000 0.000 0.215 249 L C 1.990 178.918 176.870 0.097 0.000 1.074 249 L CA 2.507 57.389 54.840 0.070 0.000 0.760 249 L CB -0.889 41.206 42.059 0.059 0.000 0.889 249 L HN 0.573 nan 8.230 nan 0.000 0.433 250 D N 0.096 120.534 120.400 0.063 0.000 2.095 250 D HA -0.199 4.441 4.640 -0.000 0.000 0.192 250 D C 2.251 178.672 176.300 0.201 0.000 0.990 250 D CA 2.091 56.142 54.000 0.086 0.000 0.836 250 D CB -0.384 40.374 40.800 -0.071 0.000 0.979 250 D HN 0.533 nan 8.370 nan 0.000 0.447 251 S N 0.578 116.368 115.700 0.149 0.000 2.400 251 S HA -0.125 4.345 4.470 -0.000 0.000 0.232 251 S C 2.189 176.889 174.600 0.167 0.000 1.025 251 S CA 1.486 59.790 58.200 0.174 0.000 0.993 251 S CB -0.369 62.916 63.200 0.141 0.000 0.808 251 S HN 0.069 nan 8.310 nan 0.000 0.478 252 S N 1.993 117.777 115.700 0.140 0.000 2.368 252 S HA 0.029 4.499 4.470 -0.000 0.000 0.225 252 S C 1.736 176.413 174.600 0.129 0.000 1.030 252 S CA 1.167 59.439 58.200 0.119 0.000 0.999 252 S CB -0.662 62.596 63.200 0.097 0.000 0.844 252 S HN 0.461 nan 8.310 nan 0.000 0.459 253 L N 2.088 123.407 121.223 0.161 0.000 2.017 253 L HA -0.032 4.308 4.340 -0.000 0.000 0.208 253 L C 2.175 179.154 176.870 0.182 0.000 1.073 253 L CA 1.606 56.547 54.840 0.168 0.000 0.745 253 L CB -0.800 41.404 42.059 0.241 0.000 0.894 253 L HN 0.131 nan 8.230 nan 0.000 0.432 254 V N -0.622 119.434 119.914 0.236 0.000 2.392 254 V HA -0.304 3.816 4.120 -0.000 0.000 0.249 254 V C 2.460 178.657 176.094 0.172 0.000 1.059 254 V CA 2.188 64.613 62.300 0.208 0.000 1.051 254 V CB -1.127 30.850 31.823 0.256 0.000 0.658 254 V HN 0.563 nan 8.190 nan 0.000 0.455 255 T N 0.298 114.945 114.554 0.156 0.000 2.777 255 T HA -0.120 4.230 4.350 -0.000 0.000 0.266 255 T C 2.094 176.869 174.700 0.126 0.000 1.040 255 T CA 1.515 63.696 62.100 0.135 0.000 1.141 255 T CB -0.401 68.536 68.868 0.115 0.000 0.868 255 T HN 0.575 nan 8.240 nan 0.000 0.444 256 A N 1.215 124.099 122.820 0.106 0.000 1.908 256 A HA -0.006 4.314 4.320 -0.000 0.000 0.218 256 A C 2.296 179.936 177.584 0.094 0.000 1.181 256 A CA 1.279 53.362 52.037 0.076 0.000 0.627 256 A CB -0.839 18.187 19.000 0.043 0.000 0.818 256 A HN 0.467 nan 8.150 nan 0.000 0.445 257 L N -0.978 120.323 121.223 0.130 0.000 2.072 257 L HA -0.127 4.213 4.340 -0.000 0.000 0.205 257 L C 3.100 180.135 176.870 0.275 0.000 1.079 257 L CA 0.907 55.855 54.840 0.180 0.000 0.752 257 L CB -0.527 41.648 42.059 0.193 0.000 0.906 257 L HN 0.424 nan 8.230 nan 0.000 0.436 258 A N 0.269 123.257 122.820 0.281 0.000 1.940 258 A HA -0.248 4.072 4.320 -0.000 0.000 0.219 258 A C 2.482 180.287 177.584 0.368 0.000 1.176 258 A CA 2.017 54.304 52.037 0.417 0.000 0.631 258 A CB -0.815 18.391 19.000 0.343 0.000 0.814 258 A HN 0.527 nan 8.150 nan 0.000 0.446 259 S N -1.228 114.603 115.700 0.218 0.000 2.493 259 S HA -0.111 4.359 4.470 -0.000 0.000 0.243 259 S C 1.653 176.302 174.600 0.082 0.000 0.991 259 S CA 1.469 59.759 58.200 0.149 0.000 0.957 259 S CB -0.230 63.026 63.200 0.094 0.000 0.756 259 S HN 0.420 nan 8.310 nan 0.000 0.521 260 R N -0.335 120.187 120.500 0.037 0.000 2.362 260 R HA 0.333 4.673 4.340 -0.000 0.000 0.227 260 R C 1.275 177.373 176.300 -0.336 0.000 0.905 260 R CA 0.317 56.339 56.100 -0.130 0.000 1.067 260 R CB -0.189 30.010 30.300 -0.169 0.000 1.078 260 R HN 0.576 nan 8.270 nan 0.000 0.516 261 H N -2.293 116.716 119.070 -0.102 0.000 2.735 261 H HA 0.243 4.799 4.556 -0.000 0.000 0.250 261 H C -0.402 174.610 175.328 -0.526 0.000 0.948 261 H CA 0.353 56.178 56.048 -0.373 0.000 1.137 261 H CB 0.628 30.029 29.762 -0.601 0.000 1.440 261 H HN -0.072 nan 8.280 nan 0.000 0.444 262 F N 0.856 120.898 119.950 0.153 0.000 2.507 262 F HA 0.262 4.789 4.527 -0.000 0.000 0.327 262 F C 1.497 177.343 175.800 0.077 0.000 1.068 262 F CA -0.883 57.185 58.000 0.112 0.000 0.965 262 F CB 1.866 40.931 39.000 0.109 0.000 1.192 262 F HN -0.251 nan 8.300 nan 0.000 0.476 263 K N 1.417 121.969 120.400 0.254 0.000 1.985 263 K HA -0.024 4.296 4.320 -0.000 0.000 0.210 263 K C -0.288 176.403 176.600 0.151 0.000 1.047 263 K CA 1.763 58.144 56.287 0.157 0.000 0.932 263 K CB 0.067 32.643 32.500 0.128 0.000 0.716 263 K HN 0.556 nan 8.250 nan 0.000 0.439 264 K N 0.457 120.954 120.400 0.163 0.000 2.259 264 K HA 0.359 4.679 4.320 -0.000 0.000 0.252 264 K C -1.181 175.485 176.600 0.110 0.000 0.936 264 K CA -0.876 55.485 56.287 0.124 0.000 0.810 264 K CB 1.836 34.396 32.500 0.100 0.000 1.143 264 K HN -0.051 nan 8.250 nan 0.000 0.427 265 L N 2.690 123.972 121.223 0.099 0.000 2.381 265 L HA 0.376 4.716 4.340 -0.000 0.000 0.274 265 L C -0.945 175.968 176.870 0.071 0.000 0.988 265 L CA -0.724 54.161 54.840 0.076 0.000 0.824 265 L CB 1.462 43.581 42.059 0.101 0.000 1.263 265 L HN 0.611 nan 8.230 nan 0.000 0.410 266 N N 1.420 120.151 118.700 0.050 0.000 2.469 266 N HA 0.404 5.144 4.740 -0.000 0.000 0.253 266 N C -0.278 175.255 175.510 0.038 0.000 0.970 266 N CA -0.212 52.832 53.050 -0.010 0.000 0.940 266 N CB 1.505 40.006 38.487 0.023 0.000 1.128 266 N HN 0.550 nan 8.380 nan 0.000 0.503 267 T N -0.147 114.394 114.554 -0.022 0.000 2.799 267 T HA 0.513 4.863 4.350 -0.000 0.000 0.286 267 T C -0.630 174.027 174.700 -0.071 0.000 0.973 267 T CA -0.474 61.703 62.100 0.129 0.000 1.035 267 T CB 0.451 69.475 68.868 0.260 0.000 0.932 267 T HN 0.171 nan 8.240 nan 0.000 0.469 268 Y N 0.915 121.279 120.300 0.107 0.000 2.409 268 Y HA 0.686 5.236 4.550 -0.000 0.000 0.343 268 Y C 0.503 176.464 175.900 0.101 0.000 0.973 268 Y CA -1.028 57.092 58.100 0.032 0.000 1.064 268 Y CB 2.428 40.883 38.460 -0.008 0.000 1.207 268 Y HN 0.815 nan 8.280 nan 0.000 0.452 269 S N 4.531 120.359 115.700 0.213 0.000 2.548 269 S HA 0.871 5.341 4.470 -0.000 0.000 0.286 269 S C -1.409 173.423 174.600 0.387 0.000 1.098 269 S CA -0.607 57.788 58.200 0.324 0.000 0.930 269 S CB 0.719 64.211 63.200 0.487 0.000 1.070 269 S HN 0.591 nan 8.310 nan 0.000 0.480 270 I N 0.494 121.285 120.570 0.368 0.000 2.969 270 I HA 0.974 5.144 4.170 -0.000 0.000 0.307 270 I C -0.289 175.915 176.117 0.144 0.000 1.149 270 I CA -0.763 60.752 61.300 0.357 0.000 1.008 270 I CB 1.223 39.326 38.000 0.172 0.000 1.232 270 I HN 0.808 nan 8.210 nan 0.000 0.435 271 G N 1.428 110.337 108.800 0.183 0.000 2.698 271 G HA2 0.526 4.486 3.960 -0.000 0.000 0.293 271 G HA3 0.526 4.486 3.960 -0.000 0.000 0.293 271 G C -1.337 173.592 174.900 0.048 0.000 1.437 271 G CA -0.394 44.629 45.100 -0.129 0.000 0.852 271 G HN 0.921 nan 8.290 nan 0.000 0.499 272 T N -1.116 113.436 114.554 -0.004 0.000 2.862 272 T HA 0.325 4.675 4.350 -0.000 0.000 0.276 272 T C 1.102 175.829 174.700 0.045 0.000 0.974 272 T CA -0.186 61.935 62.100 0.034 0.000 0.966 272 T CB 1.158 70.037 68.868 0.020 0.000 1.072 272 T HN 0.473 nan 8.240 nan 0.000 0.538 273 E N 0.548 120.777 120.200 0.049 0.000 2.482 273 E HA 0.075 4.425 4.350 -0.000 0.000 0.196 273 E C 1.717 178.337 176.600 0.034 0.000 1.047 273 E CA 0.272 56.702 56.400 0.049 0.000 0.869 273 E CB 0.016 29.742 29.700 0.045 0.000 0.836 273 E HN 0.518 nan 8.360 nan 0.000 0.520 274 L N -0.014 121.223 121.223 0.023 0.000 2.249 274 L HA 0.049 4.389 4.340 -0.000 0.000 0.207 274 L C 0.987 177.863 176.870 0.010 0.000 1.090 274 L CA 0.229 55.079 54.840 0.017 0.000 0.802 274 L CB 0.164 42.232 42.059 0.016 0.000 0.947 274 L HN 0.045 nan 8.230 nan 0.000 0.453 275 S N -0.995 114.701 115.700 -0.005 0.000 2.663 275 S HA 0.503 4.973 4.470 -0.000 0.000 0.264 275 S C -1.287 173.255 174.600 -0.097 0.000 1.112 275 S CA -0.809 57.375 58.200 -0.027 0.000 0.823 275 S CB 1.738 64.930 63.200 -0.014 0.000 1.111 275 S HN 0.315 nan 8.310 nan 0.000 0.476 276 N N -0.862 117.744 118.700 -0.156 0.000 3.339 276 N HA 0.611 5.351 4.740 -0.000 0.000 0.275 276 N C -1.156 174.187 175.510 -0.279 0.000 1.514 276 N CA -0.738 52.079 53.050 -0.388 0.000 0.879 276 N CB 0.836 38.848 38.487 -0.793 0.000 1.557 276 N HN 0.605 nan 8.380 nan 0.000 0.524 277 E N -1.357 118.604 120.200 -0.398 0.000 2.921 277 E HA 0.444 4.794 4.350 -0.000 0.000 0.203 277 E C -0.504 176.104 176.600 0.013 0.000 0.975 277 E CA -0.386 55.983 56.400 -0.051 0.000 1.225 277 E CB -0.322 29.417 29.700 0.065 0.000 1.048 277 E HN 0.564 nan 8.360 nan 0.000 0.477 278 F N 0.193 120.192 119.950 0.082 0.000 2.250 278 F HA -0.167 4.360 4.527 -0.000 0.000 0.301 278 F C 2.218 178.027 175.800 0.014 0.000 1.077 278 F CA 0.842 58.889 58.000 0.079 0.000 1.348 278 F CB 0.186 39.221 39.000 0.057 0.000 1.040 278 F HN 0.167 nan 8.300 nan 0.000 0.509 279 E N 0.961 121.190 120.200 0.048 0.000 2.031 279 E HA -0.203 4.147 4.350 -0.000 0.000 0.193 279 E C 1.777 178.257 176.600 -0.200 0.000 0.994 279 E CA 1.809 58.102 56.400 -0.178 0.000 0.800 279 E CB -0.578 28.842 29.700 -0.465 0.000 0.752 279 E HN 0.337 nan 8.360 nan 0.000 0.447 280 F N 0.045 120.042 119.950 0.078 0.000 2.259 280 F HA 0.054 4.581 4.527 -0.000 0.000 0.298 280 F C 2.800 178.629 175.800 0.047 0.000 1.088 280 F CA 1.071 59.106 58.000 0.059 0.000 1.358 280 F CB -0.946 38.095 39.000 0.069 0.000 1.040 280 F HN 0.049 nan 8.300 nan 0.000 0.505 281 S N -0.320 115.524 115.700 0.239 0.000 2.383 281 S HA -0.234 4.236 4.470 -0.000 0.000 0.227 281 S C 2.154 176.720 174.600 -0.057 0.000 1.026 281 S CA 1.292 59.577 58.200 0.141 0.000 0.981 281 S CB -0.284 63.069 63.200 0.255 0.000 0.818 281 S HN 0.365 nan 8.310 nan 0.000 0.472 282 Q N 1.207 120.997 119.800 -0.016 0.000 2.170 282 Q HA -0.073 4.267 4.340 -0.000 0.000 0.203 282 Q C 2.076 178.015 176.000 -0.102 0.000 0.976 282 Q CA 1.800 57.530 55.803 -0.123 0.000 0.858 282 Q CB -0.514 28.234 28.738 0.017 0.000 0.907 282 Q HN 0.673 nan 8.270 nan 0.000 0.433 283 Q N -1.053 118.733 119.800 -0.023 0.000 2.084 283 Q HA -0.123 4.217 4.340 -0.000 0.000 0.202 283 Q C 2.052 178.044 176.000 -0.014 0.000 0.978 283 Q CA 1.705 57.507 55.803 -0.001 0.000 0.844 283 Q CB 0.031 28.802 28.738 0.056 0.000 0.898 283 Q HN 0.289 nan 8.270 nan 0.000 0.426 284 V N 0.692 120.597 119.914 -0.014 0.000 2.379 284 V HA -0.232 3.888 4.120 -0.000 0.000 0.245 284 V C 2.261 178.323 176.094 -0.054 0.000 1.044 284 V CA 1.654 63.947 62.300 -0.013 0.000 1.036 284 V CB -0.945 30.889 31.823 0.018 0.000 0.664 284 V HN 0.377 nan 8.190 nan 0.000 0.453 285 A N 0.172 122.902 122.820 -0.151 0.000 1.883 285 A HA -0.286 4.034 4.320 -0.000 0.000 0.217 285 A C 1.996 179.532 177.584 -0.079 0.000 1.186 285 A CA 2.261 54.201 52.037 -0.163 0.000 0.624 285 A CB -0.704 18.047 19.000 -0.416 0.000 0.822 285 A HN 0.545 nan 8.150 nan 0.000 0.444 286 D N -0.016 120.337 120.400 -0.079 0.000 2.084 286 D HA -0.063 4.577 4.640 -0.000 0.000 0.194 286 D C 2.304 178.589 176.300 -0.025 0.000 0.990 286 D CA 1.657 55.632 54.000 -0.041 0.000 0.826 286 D CB -0.652 40.126 40.800 -0.037 0.000 0.971 286 D HN 0.414 nan 8.370 nan 0.000 0.453 287 A N 0.535 123.342 122.820 -0.021 0.000 1.917 287 A HA -0.149 4.171 4.320 -0.000 0.000 0.219 287 A C 2.261 179.842 177.584 -0.005 0.000 1.182 287 A CA 1.230 53.260 52.037 -0.011 0.000 0.633 287 A CB -0.695 18.301 19.000 -0.006 0.000 0.819 287 A HN 0.267 nan 8.150 nan 0.000 0.448 288 L N -1.277 119.945 121.223 -0.001 0.000 2.607 288 L HA 0.255 4.595 4.340 -0.000 0.000 0.228 288 L C 1.282 178.162 176.870 0.016 0.000 1.123 288 L CA 0.269 55.116 54.840 0.013 0.000 0.890 288 L CB -0.184 41.891 42.059 0.027 0.000 1.103 288 L HN 0.547 nan 8.230 nan 0.000 0.468 289 G N 2.129 110.932 108.800 0.005 0.000 2.374 289 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.289 289 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.289 289 G C 0.197 175.114 174.900 0.028 0.000 1.004 289 G CA 0.581 45.686 45.100 0.008 0.000 1.292 289 G HN 0.392 nan 8.290 nan 0.000 0.502 290 T N -1.670 112.905 114.554 0.035 0.000 2.912 290 T HA 0.553 4.903 4.350 -0.000 0.000 0.288 290 T C 0.229 174.990 174.700 0.102 0.000 1.030 290 T CA -0.830 61.315 62.100 0.074 0.000 1.020 290 T CB 1.808 70.724 68.868 0.080 0.000 1.056 290 T HN 0.549 nan 8.240 nan 0.000 0.480 291 H N 2.406 121.483 119.070 0.011 0.000 3.362 291 H HA 0.158 4.714 4.556 -0.000 0.000 0.248 291 H C -0.250 175.054 175.328 -0.040 0.000 1.276 291 H CA 0.282 56.320 56.048 -0.017 0.000 1.520 291 H CB -0.895 28.844 29.762 -0.038 0.000 1.624 291 H HN 0.725 nan 8.280 nan 0.000 0.502 292 H N 3.566 122.651 119.070 0.024 0.000 2.488 292 H HA 0.376 4.932 4.556 -0.000 0.000 0.347 292 H C -0.547 174.748 175.328 -0.055 0.000 1.174 292 H CA -0.208 55.819 56.048 -0.035 0.000 1.307 292 H CB 0.831 30.572 29.762 -0.035 0.000 1.517 292 H HN 0.683 nan 8.280 nan 0.000 0.554 293 Q N 2.780 122.144 119.800 -0.727 0.000 2.320 293 Q HA 0.350 4.690 4.340 -0.000 0.000 0.272 293 Q C -1.124 174.522 176.000 -0.590 0.000 1.023 293 Q CA -0.623 54.869 55.803 -0.519 0.000 0.855 293 Q CB 2.842 31.364 28.738 -0.360 0.000 1.367 293 Q HN 0.564 nan 8.270 nan 0.000 0.406 294 M N 1.516 120.865 119.600 -0.418 0.000 2.644 294 M HA 0.601 5.081 4.480 -0.000 0.000 0.316 294 M C -0.956 175.193 176.300 -0.251 0.000 1.200 294 M CA -0.686 54.369 55.300 -0.408 0.000 0.944 294 M CB 1.845 34.059 32.600 -0.643 0.000 1.691 294 M HN 0.199 nan 8.290 nan 0.000 0.471 295 K N 2.702 122.994 120.400 -0.180 0.000 2.582 295 K HA 0.313 4.633 4.320 -0.000 0.000 0.259 295 K C -2.231 174.442 176.600 0.123 0.000 0.973 295 K CA -0.479 55.791 56.287 -0.027 0.000 0.880 295 K CB 1.668 34.191 32.500 0.039 0.000 1.310 295 K HN 0.673 nan 8.250 nan 0.000 0.443 296 I N 5.813 126.444 120.570 0.101 0.000 2.301 296 I HA 0.290 4.460 4.170 -0.000 0.000 0.292 296 I C -0.607 175.587 176.117 0.128 0.000 1.046 296 I CA -0.401 61.017 61.300 0.197 0.000 1.282 296 I CB 0.298 38.391 38.000 0.156 0.000 1.409 296 I HN 0.508 nan 8.210 nan 0.000 0.484 297 L N 7.188 128.490 121.223 0.131 0.000 2.397 297 L HA 0.386 4.726 4.340 -0.000 0.000 0.271 297 L C 0.717 177.628 176.870 0.069 0.000 1.148 297 L CA -0.416 54.475 54.840 0.086 0.000 0.825 297 L CB 0.788 42.892 42.059 0.075 0.000 1.117 297 L HN 0.749 nan 8.230 nan 0.000 0.456 298 S N 0.162 115.895 115.700 0.055 0.000 2.687 298 S HA 0.170 4.640 4.470 -0.000 0.000 0.283 298 S C 0.729 175.352 174.600 0.038 0.000 1.170 298 S CA -0.721 57.506 58.200 0.045 0.000 1.008 298 S CB 1.849 65.074 63.200 0.041 0.000 1.026 298 S HN 0.658 nan 8.310 nan 0.000 0.541 299 E N 1.321 121.541 120.200 0.033 0.000 2.187 299 E HA -0.151 4.199 4.350 -0.000 0.000 0.199 299 E C 1.616 178.231 176.600 0.026 0.000 1.004 299 E CA 2.330 58.746 56.400 0.027 0.000 0.813 299 E CB -0.801 28.913 29.700 0.023 0.000 0.736 299 E HN 0.793 nan 8.360 nan 0.000 0.468 300 T N 0.107 114.679 114.554 0.030 0.000 2.732 300 T HA -0.078 4.272 4.350 -0.000 0.000 0.261 300 T C 1.482 176.206 174.700 0.040 0.000 1.040 300 T CA 1.316 63.437 62.100 0.034 0.000 1.145 300 T CB -0.241 68.649 68.868 0.037 0.000 0.866 300 T HN 0.292 nan 8.240 nan 0.000 0.427 301 E N 0.600 120.827 120.200 0.045 0.000 2.153 301 E HA -0.083 4.267 4.350 -0.000 0.000 0.194 301 E C 2.312 178.936 176.600 0.040 0.000 0.988 301 E CA 0.712 57.144 56.400 0.052 0.000 0.811 301 E CB -0.225 29.509 29.700 0.057 0.000 0.746 301 E HN 0.222 nan 8.360 nan 0.000 0.466 302 V N 1.123 121.052 119.914 0.025 0.000 2.261 302 V HA -0.252 3.868 4.120 -0.000 0.000 0.246 302 V C 2.155 178.224 176.094 -0.042 0.000 1.047 302 V CA 1.441 63.740 62.300 -0.002 0.000 1.015 302 V CB -0.267 31.556 31.823 0.001 0.000 0.642 302 V HN 0.194 nan 8.190 nan 0.000 0.446 303 I N 0.622 121.172 120.570 -0.033 0.000 2.315 303 I HA -0.184 3.986 4.170 -0.000 0.000 0.248 303 I C 2.202 178.320 176.117 0.002 0.000 1.117 303 I CA 1.510 62.777 61.300 -0.054 0.000 1.404 303 I CB -0.932 37.067 38.000 -0.002 0.000 1.071 303 I HN 0.373 nan 8.210 nan 0.000 0.419 304 N N 0.603 119.328 118.700 0.041 0.000 2.205 304 N HA -0.140 4.600 4.740 -0.000 0.000 0.186 304 N C 2.013 177.566 175.510 0.072 0.000 1.015 304 N CA 1.526 54.623 53.050 0.079 0.000 0.862 304 N CB -0.392 38.151 38.487 0.095 0.000 0.986 304 N HN 0.347 nan 8.380 nan 0.000 0.429 305 G N 0.155 108.980 108.800 0.041 0.000 2.408 305 G HA2 -0.121 3.839 3.960 -0.000 0.000 0.217 305 G HA3 -0.121 3.839 3.960 -0.000 0.000 0.217 305 G C 1.541 176.396 174.900 -0.074 0.000 1.150 305 G CA 0.599 45.721 45.100 0.037 0.000 0.776 305 G HN 0.349 nan 8.290 nan 0.000 0.542 306 I N 1.242 121.754 120.570 -0.097 0.000 2.163 306 I HA -0.121 4.049 4.170 -0.000 0.000 0.240 306 I C 2.718 178.796 176.117 -0.065 0.000 1.081 306 I CA 1.270 62.485 61.300 -0.141 0.000 1.353 306 I CB -0.290 37.542 38.000 -0.280 0.000 1.054 306 I HN 0.313 nan 8.210 nan 0.000 0.407 307 I N -1.136 119.454 120.570 0.034 0.000 2.493 307 I HA -0.162 4.008 4.170 -0.000 0.000 0.254 307 I C 2.128 178.341 176.117 0.160 0.000 1.160 307 I CA 1.492 62.886 61.300 0.156 0.000 1.445 307 I CB -0.538 37.599 38.000 0.227 0.000 1.086 307 I HN 0.172 nan 8.210 nan 0.000 0.433 308 E N 1.649 121.862 120.200 0.021 0.000 2.072 308 E HA -0.165 4.185 4.350 -0.000 0.000 0.190 308 E C 2.443 178.851 176.600 -0.320 0.000 0.982 308 E CA 1.587 57.995 56.400 0.014 0.000 0.803 308 E CB -0.113 29.700 29.700 0.188 0.000 0.755 308 E HN 0.764 nan 8.360 nan 0.000 0.453 309 S N 1.021 116.235 115.700 -0.809 0.000 2.382 309 S HA -0.152 4.318 4.470 -0.000 0.000 0.228 309 S C 2.075 176.581 174.600 -0.157 0.000 1.027 309 S CA 0.714 58.373 58.200 -0.901 0.000 0.991 309 S CB -0.505 62.361 63.200 -0.557 0.000 0.823 309 S HN 0.158 nan 8.310 nan 0.000 0.469 310 I N 0.210 120.770 120.570 -0.016 0.000 2.113 310 I HA -0.143 4.027 4.170 -0.000 0.000 0.238 310 I C 2.556 178.787 176.117 0.191 0.000 1.070 310 I CA 2.021 63.427 61.300 0.177 0.000 1.332 310 I CB -0.640 37.518 38.000 0.263 0.000 1.044 310 I HN 0.303 nan 8.210 nan 0.000 0.402 311 Y N 1.075 121.337 120.300 -0.063 0.000 2.049 311 Y HA -0.358 4.192 4.550 -0.000 0.000 0.277 311 Y C 2.549 178.299 175.900 -0.250 0.000 1.143 311 Y CA 1.775 59.612 58.100 -0.439 0.000 1.115 311 Y CB -0.768 36.984 38.460 -1.180 0.000 0.975 311 Y HN 0.046 nan 8.280 nan 0.000 0.487 312 Y N 0.125 120.436 120.300 0.018 0.000 2.181 312 Y HA -0.181 4.369 4.550 -0.000 0.000 0.288 312 Y C 2.007 178.016 175.900 0.182 0.000 1.146 312 Y CA 1.842 60.002 58.100 0.100 0.000 1.164 312 Y CB -0.517 38.217 38.460 0.456 0.000 0.982 312 Y HN 0.211 nan 8.280 nan 0.000 0.515 313 N N -0.150 118.775 118.700 0.376 0.000 2.236 313 N HA 0.011 4.751 4.740 -0.000 0.000 0.196 313 N C -0.504 175.172 175.510 0.277 0.000 1.114 313 N CA 0.253 53.515 53.050 0.354 0.000 0.859 313 N CB -0.060 38.627 38.487 0.334 0.000 0.982 313 N HN 0.228 nan 8.380 nan 0.000 0.493 314 E N 0.427 120.761 120.200 0.224 0.000 2.210 314 E HA -0.202 4.148 4.350 -0.000 0.000 0.201 314 E C -0.789 176.110 176.600 0.499 0.000 1.339 314 E CA 0.336 56.944 56.400 0.348 0.000 0.699 314 E CB -1.279 28.578 29.700 0.261 0.000 1.126 314 E HN 0.422 nan 8.360 nan 0.000 0.355 315 I N 1.132 121.909 120.570 0.344 0.000 2.385 315 I HA 0.188 4.358 4.170 -0.000 0.000 0.294 315 I C 1.061 177.239 176.117 0.100 0.000 0.988 315 I CA -0.521 60.840 61.300 0.101 0.000 1.265 315 I CB 0.564 38.571 38.000 0.011 0.000 1.388 315 I HN 0.179 nan 8.210 nan 0.000 0.480 316 F N 1.194 121.083 119.950 -0.101 0.000 2.728 316 F HA 0.366 4.893 4.527 -0.000 0.000 0.314 316 F C 0.425 176.227 175.800 0.003 0.000 1.094 316 F CA -0.823 57.024 58.000 -0.255 0.000 1.217 316 F CB -0.274 38.220 39.000 -0.843 0.000 1.056 316 F HN 0.262 nan 8.300 nan 0.000 0.577 317 D N 1.534 121.747 120.400 -0.312 0.000 2.317 317 D HA 0.323 4.963 4.640 -0.000 0.000 0.252 317 D C 1.608 177.956 176.300 0.080 0.000 1.174 317 D CA 0.435 54.397 54.000 -0.063 0.000 0.866 317 D CB 1.716 42.401 40.800 -0.192 0.000 1.127 317 D HN 0.217 nan 8.370 nan 0.000 0.467 318 G N 3.539 112.464 108.800 0.208 0.000 2.514 318 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.217 318 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.217 318 G C 1.338 176.440 174.900 0.338 0.000 1.198 318 G CA 0.992 46.280 45.100 0.313 0.000 0.780 318 G HN 0.549 nan 8.290 nan 0.000 0.565 319 L N 1.163 122.588 121.223 0.336 0.000 1.971 319 L HA -0.107 4.233 4.340 -0.000 0.000 0.215 319 L C 2.942 179.887 176.870 0.124 0.000 1.072 319 L CA 2.890 57.903 54.840 0.290 0.000 0.758 319 L CB -0.954 41.134 42.059 0.049 0.000 0.889 319 L HN 0.204 nan 8.230 nan 0.000 0.433 320 S N -0.066 115.633 115.700 -0.002 0.000 2.370 320 S HA -0.198 4.272 4.470 -0.000 0.000 0.226 320 S C 2.072 176.661 174.600 -0.018 0.000 1.033 320 S CA 1.235 59.389 58.200 -0.077 0.000 1.011 320 S CB -0.791 62.281 63.200 -0.213 0.000 0.852 320 S HN 0.716 nan 8.310 nan 0.000 0.457 321 A N 1.279 124.109 122.820 0.017 0.000 1.930 321 A HA -0.140 4.180 4.320 -0.000 0.000 0.217 321 A C 2.040 179.623 177.584 -0.001 0.000 1.175 321 A CA 1.644 53.689 52.037 0.013 0.000 0.627 321 A CB -0.565 18.465 19.000 0.051 0.000 0.815 321 A HN 0.613 nan 8.150 nan 0.000 0.443 322 E N -0.086 120.152 120.200 0.064 0.000 2.110 322 E HA -0.161 4.189 4.350 -0.000 0.000 0.193 322 E C 1.798 178.420 176.600 0.037 0.000 0.988 322 E CA 1.254 57.679 56.400 0.043 0.000 0.804 322 E CB -0.204 29.650 29.700 0.257 0.000 0.745 322 E HN 0.689 nan 8.360 nan 0.000 0.458 323 I N 0.857 121.458 120.570 0.052 0.000 2.353 323 I HA -0.221 3.949 4.170 -0.000 0.000 0.248 323 I C 2.447 178.606 176.117 0.070 0.000 1.119 323 I CA 0.639 61.962 61.300 0.038 0.000 1.417 323 I CB -0.259 37.741 38.000 -0.000 0.000 1.078 323 I HN 0.138 nan 8.210 nan 0.000 0.421 324 Q N 0.202 120.052 119.800 0.085 0.000 2.224 324 Q HA -0.166 4.174 4.340 -0.000 0.000 0.203 324 Q C 2.312 178.413 176.000 0.169 0.000 0.970 324 Q CA 1.313 57.213 55.803 0.162 0.000 0.865 324 Q CB -0.449 28.405 28.738 0.194 0.000 0.922 324 Q HN 0.427 nan 8.270 nan 0.000 0.445 325 S N 0.528 116.262 115.700 0.056 0.000 2.378 325 S HA -0.229 4.241 4.470 -0.000 0.000 0.229 325 S C 1.989 176.617 174.600 0.047 0.000 1.052 325 S CA 1.899 60.115 58.200 0.027 0.000 1.084 325 S CB -0.560 62.613 63.200 -0.044 0.000 0.950 325 S HN 0.586 nan 8.310 nan 0.000 0.440 326 G N 1.177 109.991 108.800 0.023 0.000 2.446 326 G HA2 -0.142 3.818 3.960 -0.000 0.000 0.217 326 G HA3 -0.142 3.818 3.960 -0.000 0.000 0.217 326 G C 1.510 176.365 174.900 -0.076 0.000 1.168 326 G CA 0.921 46.018 45.100 -0.005 0.000 0.771 326 G HN 0.514 nan 8.290 nan 0.000 0.551 327 L N -0.944 120.210 121.223 -0.115 0.000 2.046 327 L HA 0.014 4.354 4.340 -0.000 0.000 0.208 327 L C 2.741 179.125 176.870 -0.809 0.000 1.077 327 L CA 1.081 55.666 54.840 -0.425 0.000 0.747 327 L CB -0.257 41.564 42.059 -0.397 0.000 0.896 327 L HN 0.233 nan 8.230 nan 0.000 0.432 328 F N -0.174 119.472 119.950 -0.508 0.000 2.234 328 F HA -0.189 4.338 4.527 -0.000 0.000 0.299 328 F C 2.470 178.069 175.800 -0.335 0.000 1.087 328 F CA 1.058 58.825 58.000 -0.388 0.000 1.340 328 F CB -0.285 38.689 39.000 -0.042 0.000 1.031 328 F HN 0.174 nan 8.300 nan 0.000 0.500 329 N N 0.119 118.781 118.700 -0.064 0.000 2.244 329 N HA -0.124 4.616 4.740 -0.000 0.000 0.183 329 N C 2.009 177.431 175.510 -0.146 0.000 1.016 329 N CA 1.090 54.108 53.050 -0.054 0.000 0.866 329 N CB -0.219 38.270 38.487 0.002 0.000 0.980 329 N HN 0.123 nan 8.380 nan 0.000 0.430 330 V N 0.809 120.568 119.914 -0.257 0.000 2.453 330 V HA -0.188 3.932 4.120 -0.000 0.000 0.247 330 V C 1.781 177.632 176.094 -0.405 0.000 1.048 330 V CA 1.170 63.290 62.300 -0.299 0.000 1.049 330 V CB -0.683 30.951 31.823 -0.314 0.000 0.672 330 V HN 0.184 nan 8.190 nan 0.000 0.457 331 Y N 0.659 120.644 120.300 -0.526 0.000 2.165 331 Y HA -0.211 4.339 4.550 -0.000 0.000 0.286 331 Y C 2.650 178.132 175.900 -0.695 0.000 1.155 331 Y CA 1.620 59.288 58.100 -0.720 0.000 1.164 331 Y CB -0.842 36.956 38.460 -1.104 0.000 0.978 331 Y HN 0.160 nan 8.280 nan 0.000 0.513 332 R N 0.124 120.324 120.500 -0.500 0.000 2.070 332 R HA -0.186 4.154 4.340 -0.000 0.000 0.233 332 R C 2.106 178.385 176.300 -0.035 0.000 1.137 332 R CA 1.669 57.673 56.100 -0.161 0.000 0.945 332 R CB -0.076 30.216 30.300 -0.013 0.000 0.845 332 R HN 0.267 nan 8.270 nan 0.000 0.430 333 Q N -0.391 119.369 119.800 -0.067 0.000 2.170 333 Q HA -0.088 4.252 4.340 -0.000 0.000 0.203 333 Q C 1.719 177.729 176.000 0.017 0.000 0.976 333 Q CA 1.577 57.396 55.803 0.028 0.000 0.858 333 Q CB -0.013 28.792 28.738 0.111 0.000 0.907 333 Q HN 0.457 nan 8.270 nan 0.000 0.433 334 A N 0.452 123.107 122.820 -0.275 0.000 2.238 334 A HA -0.012 4.308 4.320 -0.000 0.000 0.210 334 A C 1.063 178.585 177.584 -0.103 0.000 1.179 334 A CA -0.237 51.586 52.037 -0.357 0.000 0.827 334 A CB -0.124 18.330 19.000 -0.911 0.000 0.856 334 A HN 0.322 nan 8.150 nan 0.000 0.488 335 Q N -0.170 119.617 119.800 -0.022 0.000 2.269 335 Q HA 0.269 4.609 4.340 -0.000 0.000 0.300 335 Q C 1.220 177.251 176.000 0.053 0.000 1.070 335 Q CA 1.049 56.894 55.803 0.069 0.000 0.957 335 Q CB -0.029 28.832 28.738 0.205 0.000 1.131 335 Q HN 0.931 nan 8.270 nan 0.000 0.377 336 G N 3.169 111.993 108.800 0.039 0.000 2.245 336 G HA2 -0.361 3.599 3.960 -0.000 0.000 0.264 336 G HA3 -0.361 3.599 3.960 -0.000 0.000 0.264 336 G C 0.708 175.627 174.900 0.032 0.000 0.985 336 G CA 0.700 45.822 45.100 0.037 0.000 0.625 336 G HN 0.712 nan 8.290 nan 0.000 0.536 337 Q N -0.643 119.174 119.800 0.030 0.000 2.339 337 Q HA 0.435 4.774 4.340 -0.000 0.000 0.205 337 Q C 1.058 177.071 176.000 0.021 0.000 0.925 337 Q CA 1.239 57.062 55.803 0.034 0.000 0.898 337 Q CB 0.800 29.588 28.738 0.083 0.000 1.013 337 Q HN 1.049 nan 8.270 nan 0.000 0.504 338 V N -4.699 115.211 119.914 -0.007 0.000 3.114 338 V HA 0.492 4.612 4.120 -0.000 0.000 0.308 338 V C -0.139 175.916 176.094 -0.065 0.000 1.168 338 V CA -0.799 61.475 62.300 -0.043 0.000 1.015 338 V CB 2.097 33.866 31.823 -0.089 0.000 1.050 338 V HN -0.182 nan 8.190 nan 0.000 0.433 339 S N -0.096 115.551 115.700 -0.088 0.000 2.603 339 S HA 0.361 4.831 4.470 -0.000 0.000 0.232 339 S C -0.031 174.359 174.600 -0.349 0.000 1.016 339 S CA 0.429 58.591 58.200 -0.064 0.000 0.976 339 S CB 0.404 63.743 63.200 0.232 0.000 0.921 339 S HN 1.065 nan 8.310 nan 0.000 0.516 340 C N 1.717 120.667 119.300 -0.584 0.000 2.686 340 C HA 0.803 5.263 4.460 -0.000 0.000 0.318 340 C C -1.076 173.611 174.990 -0.506 0.000 1.160 340 C CA -0.654 57.896 59.018 -0.779 0.000 1.396 340 C CB 0.954 27.760 27.740 -1.556 0.000 1.924 340 C HN 0.533 nan 8.230 nan 0.000 0.471 341 M N 5.940 125.301 119.600 -0.398 0.000 2.446 341 M HA 0.706 5.185 4.480 -0.000 0.000 0.294 341 M C -1.916 174.231 176.300 -0.256 0.000 1.158 341 M CA -0.508 54.627 55.300 -0.276 0.000 0.899 341 M CB 1.611 34.104 32.600 -0.177 0.000 1.687 341 M HN 0.673 nan 8.290 nan 0.000 0.455 342 L N 3.005 124.124 121.223 -0.173 0.000 2.346 342 L HA 0.802 5.141 4.340 -0.000 0.000 0.274 342 L C -0.168 176.711 176.870 0.014 0.000 1.007 342 L CA -0.671 54.109 54.840 -0.099 0.000 0.818 342 L CB 2.225 44.253 42.059 -0.051 0.000 1.284 342 L HN 0.827 nan 8.230 nan 0.000 0.424 343 T N -2.213 112.404 114.554 0.105 0.000 2.887 343 T HA 0.506 4.856 4.350 -0.000 0.000 0.292 343 T C 0.458 175.390 174.700 0.385 0.000 1.087 343 T CA -0.227 62.016 62.100 0.238 0.000 1.009 343 T CB 1.873 70.929 68.868 0.314 0.000 1.203 343 T HN 0.620 nan 8.240 nan 0.000 0.518 344 G N -0.344 108.666 108.800 0.350 0.000 3.371 344 G HA2 0.199 4.159 3.960 -0.000 0.000 0.248 344 G HA3 0.199 4.159 3.960 -0.000 0.000 0.248 344 G C -0.174 174.844 174.900 0.196 0.000 1.161 344 G CA -0.436 44.872 45.100 0.347 0.000 0.796 344 G HN 0.706 nan 8.290 nan 0.000 0.539 345 Y N 0.937 121.357 120.300 0.199 0.000 2.717 345 Y HA 0.303 4.853 4.550 -0.000 0.000 0.330 345 Y C 1.579 177.510 175.900 0.053 0.000 1.217 345 Y CA 1.676 59.811 58.100 0.059 0.000 1.506 345 Y CB 0.894 39.377 38.460 0.038 0.000 1.268 345 Y HN 0.295 nan 8.280 nan 0.000 0.561 346 G N 2.179 110.928 108.800 -0.084 0.000 2.284 346 G HA2 -0.393 3.567 3.960 -0.000 0.000 0.230 346 G HA3 -0.393 3.567 3.960 -0.000 0.000 0.230 346 G C 1.450 176.437 174.900 0.145 0.000 1.021 346 G CA 0.746 45.899 45.100 0.088 0.000 0.619 346 G HN 0.826 nan 8.290 nan 0.000 0.510 347 S N 0.679 116.262 115.700 -0.196 0.000 2.368 347 S HA -0.224 4.246 4.470 -0.000 0.000 0.226 347 S C 1.958 176.548 174.600 -0.015 0.000 1.044 347 S CA 2.451 60.419 58.200 -0.387 0.000 1.062 347 S CB -0.437 62.160 63.200 -1.005 0.000 0.931 347 S HN 0.515 nan 8.310 nan 0.000 0.440 348 D N 1.042 121.397 120.400 -0.075 0.000 2.190 348 D HA -0.080 4.560 4.640 -0.000 0.000 0.200 348 D C 1.833 178.139 176.300 0.009 0.000 0.992 348 D CA 1.032 55.015 54.000 -0.028 0.000 0.854 348 D CB -0.358 40.386 40.800 -0.093 0.000 0.936 348 D HN 0.461 nan 8.370 nan 0.000 0.462 349 L N -0.253 120.996 121.223 0.044 0.000 2.313 349 L HA 0.005 4.345 4.340 -0.000 0.000 0.214 349 L C 2.236 179.145 176.870 0.064 0.000 1.119 349 L CA 0.412 55.306 54.840 0.090 0.000 0.809 349 L CB -0.151 42.037 42.059 0.216 0.000 0.933 349 L HN 0.042 nan 8.230 nan 0.000 0.449 350 L N -1.870 119.367 121.223 0.022 0.000 2.286 350 L HA 0.039 4.379 4.340 -0.000 0.000 0.203 350 L C 1.726 178.345 176.870 -0.418 0.000 1.068 350 L CA 0.645 55.348 54.840 -0.229 0.000 0.811 350 L CB -0.198 41.657 42.059 -0.339 0.000 0.989 350 L HN 0.078 nan 8.230 nan 0.000 0.467 351 F N 0.215 120.204 119.950 0.066 0.000 2.727 351 F HA 0.327 4.854 4.527 -0.000 0.000 0.302 351 F C 1.581 177.404 175.800 0.039 0.000 1.097 351 F CA 0.439 58.478 58.000 0.066 0.000 1.330 351 F CB 0.154 39.206 39.000 0.086 0.000 1.084 351 F HN 0.158 nan 8.300 nan 0.000 0.578 352 G N 0.042 108.900 108.800 0.096 0.000 2.141 352 G HA2 -0.248 3.711 3.960 -0.000 0.000 0.231 352 G HA3 -0.248 3.711 3.960 -0.000 0.000 0.231 352 G C 1.452 176.364 174.900 0.021 0.000 0.984 352 G CA 0.098 45.220 45.100 0.036 0.000 0.660 352 G HN 0.606 nan 8.290 nan 0.000 0.525 353 G N 0.924 109.743 108.800 0.032 0.000 2.479 353 G HA2 0.065 4.025 3.960 -0.000 0.000 0.220 353 G HA3 0.065 4.025 3.960 -0.000 0.000 0.220 353 G C 1.691 176.567 174.900 -0.041 0.000 1.115 353 G CA 1.446 46.542 45.100 -0.007 0.000 0.757 353 G HN 1.404 nan 8.290 nan 0.000 0.560 354 I N -1.787 118.750 120.570 -0.055 0.000 3.684 354 I HA 0.367 4.537 4.170 -0.000 0.000 0.304 354 I C 0.598 176.674 176.117 -0.068 0.000 1.278 354 I CA -0.339 60.920 61.300 -0.069 0.000 1.272 354 I CB -0.052 37.899 38.000 -0.082 0.000 1.029 354 I HN -0.113 nan 8.210 nan 0.000 0.458 355 L N 1.816 122.990 121.223 -0.082 0.000 2.456 355 L HA 0.315 4.655 4.340 -0.000 0.000 0.257 355 L C 0.449 177.366 176.870 0.079 0.000 1.162 355 L CA -0.420 54.372 54.840 -0.079 0.000 0.808 355 L CB 0.646 42.576 42.059 -0.215 0.000 1.136 355 L HN 0.115 nan 8.230 nan 0.000 0.466 356 K N 2.485 123.036 120.400 0.251 0.000 2.262 356 K HA 0.291 4.611 4.320 -0.000 0.000 0.282 356 K C -2.362 174.310 176.600 0.119 0.000 1.066 356 K CA -1.677 54.700 56.287 0.149 0.000 0.901 356 K CB 0.983 33.560 32.500 0.128 0.000 1.089 356 K HN 0.162 nan 8.250 nan 0.000 0.476 357 P HA -0.058 nan 4.420 nan 0.000 0.258 357 P C 0.346 177.642 177.300 -0.007 0.000 1.172 357 P CA 1.098 64.202 63.100 0.006 0.000 0.762 357 P CB 0.581 32.247 31.700 -0.057 0.000 0.764 358 G N 2.213 111.012 108.800 -0.002 0.000 2.225 358 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.254 358 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.254 358 G C 0.508 175.374 174.900 -0.056 0.000 0.988 358 G CA 0.028 45.105 45.100 -0.039 0.000 0.625 358 G HN 0.848 nan 8.290 nan 0.000 0.527 359 A N -0.408 122.380 122.820 -0.053 0.000 2.313 359 A HA 0.720 5.040 4.320 -0.000 0.000 0.261 359 A C 0.393 177.819 177.584 -0.262 0.000 1.090 359 A CA 0.854 52.775 52.037 -0.192 0.000 0.807 359 A CB 0.688 19.515 19.000 -0.289 0.000 1.055 359 A HN 0.874 nan 8.150 nan 0.000 0.492 360 Q N -0.434 119.136 119.800 -0.384 0.000 2.245 360 Q HA 0.600 4.940 4.340 -0.000 0.000 0.256 360 Q C -2.161 173.527 176.000 -0.520 0.000 0.942 360 Q CA 0.091 55.723 55.803 -0.285 0.000 0.896 360 Q CB 0.880 29.519 28.738 -0.165 0.000 1.272 360 Q HN 0.540 nan 8.270 nan 0.000 0.442 361 Y N 1.952 122.251 120.300 -0.001 0.000 2.386 361 Y HA 0.250 4.800 4.550 -0.000 0.000 0.334 361 Y C 0.291 176.187 175.900 -0.007 0.000 1.002 361 Y CA -0.887 57.210 58.100 -0.005 0.000 1.068 361 Y CB 2.120 40.579 38.460 -0.002 0.000 1.203 361 Y HN 0.703 nan 8.280 nan 0.000 0.443 362 D N 0.983 121.457 120.400 0.122 0.000 2.144 362 D HA -0.136 4.504 4.640 -0.000 0.000 0.199 362 D C 0.297 176.632 176.300 0.059 0.000 0.984 362 D CA 1.628 55.667 54.000 0.065 0.000 0.834 362 D CB 0.345 41.168 40.800 0.038 0.000 0.955 362 D HN 0.337 nan 8.370 nan 0.000 0.465 363 N N -0.507 118.237 118.700 0.073 0.000 2.726 363 N HA 0.084 4.824 4.740 -0.000 0.000 0.253 363 N C -2.138 173.372 175.510 -0.000 0.000 1.530 363 N CA -1.325 51.737 53.050 0.020 0.000 0.772 363 N CB 1.480 39.967 38.487 -0.001 0.000 1.220 363 N HN -0.162 nan 8.380 nan 0.000 0.508 364 P HA -0.115 nan 4.420 nan 0.000 0.215 364 P C 0.853 178.076 177.300 -0.128 0.000 1.153 364 P CA 1.088 64.114 63.100 -0.124 0.000 0.853 364 P CB 0.590 32.237 31.700 -0.089 0.000 0.788 365 N N 0.017 118.656 118.700 -0.102 0.000 2.223 365 N HA -0.163 4.577 4.740 -0.000 0.000 0.185 365 N C 2.040 177.479 175.510 -0.118 0.000 1.016 365 N CA 0.997 53.969 53.050 -0.129 0.000 0.863 365 N CB -0.725 37.657 38.487 -0.173 0.000 0.983 365 N HN 0.393 nan 8.380 nan 0.000 0.429 366 Q N 0.080 119.827 119.800 -0.088 0.000 2.079 366 Q HA -0.060 4.280 4.340 -0.000 0.000 0.200 366 Q C 1.645 177.620 176.000 -0.041 0.000 0.974 366 Q CA 0.874 56.644 55.803 -0.055 0.000 0.840 366 Q CB 0.027 28.742 28.738 -0.038 0.000 0.898 366 Q HN 0.122 nan 8.270 nan 0.000 0.430 367 L N 0.575 121.762 121.223 -0.059 0.000 2.017 367 L HA -0.202 4.138 4.340 -0.000 0.000 0.208 367 L C 2.293 179.132 176.870 -0.053 0.000 1.073 367 L CA 1.506 56.309 54.840 -0.062 0.000 0.745 367 L CB -0.712 41.276 42.059 -0.118 0.000 0.894 367 L HN 0.287 nan 8.230 nan 0.000 0.432 368 L N -1.125 120.054 121.223 -0.074 0.000 2.017 368 L HA -0.231 4.109 4.340 -0.000 0.000 0.208 368 L C 2.707 179.593 176.870 0.026 0.000 1.073 368 L CA 1.271 56.088 54.840 -0.038 0.000 0.745 368 L CB -0.919 41.103 42.059 -0.062 0.000 0.894 368 L HN 0.298 nan 8.230 nan 0.000 0.432 369 A N -0.071 122.764 122.820 0.024 0.000 1.940 369 A HA -0.249 4.071 4.320 -0.000 0.000 0.219 369 A C 2.154 179.813 177.584 0.126 0.000 1.176 369 A CA 1.841 53.937 52.037 0.098 0.000 0.631 369 A CB -0.491 18.574 19.000 0.107 0.000 0.814 369 A HN 0.462 nan 8.150 nan 0.000 0.446 370 E N -0.660 119.585 120.200 0.074 0.000 2.085 370 E HA -0.222 4.128 4.350 -0.000 0.000 0.194 370 E C 2.317 179.015 176.600 0.162 0.000 0.994 370 E CA 1.384 57.837 56.400 0.089 0.000 0.801 370 E CB -0.114 29.610 29.700 0.040 0.000 0.743 370 E HN 0.561 nan 8.360 nan 0.000 0.453 371 Q N 0.106 119.974 119.800 0.115 0.000 2.119 371 Q HA -0.096 4.244 4.340 -0.000 0.000 0.201 371 Q C 2.435 178.543 176.000 0.180 0.000 0.972 371 Q CA 0.793 56.659 55.803 0.105 0.000 0.847 371 Q CB -0.364 28.398 28.738 0.041 0.000 0.903 371 Q HN 0.216 nan 8.270 nan 0.000 0.433 372 V N 0.571 120.638 119.914 0.256 0.000 2.332 372 V HA -0.276 3.844 4.120 -0.000 0.000 0.248 372 V C 2.107 178.434 176.094 0.388 0.000 1.055 372 V CA 1.939 64.486 62.300 0.411 0.000 1.038 372 V CB -0.725 31.269 31.823 0.285 0.000 0.651 372 V HN 0.314 nan 8.190 nan 0.000 0.450 373 Y N 1.007 121.415 120.300 0.179 0.000 2.200 373 Y HA -0.215 4.335 4.550 -0.000 0.000 0.290 373 Y C 2.758 178.755 175.900 0.161 0.000 1.137 373 Y CA 2.073 60.274 58.100 0.168 0.000 1.163 373 Y CB -0.275 38.274 38.460 0.148 0.000 0.988 373 Y HN 0.063 nan 8.280 nan 0.000 0.518 374 R N -0.034 120.655 120.500 0.315 0.000 2.133 374 R HA -0.205 4.135 4.340 -0.000 0.000 0.247 374 R C 2.062 178.079 176.300 -0.473 0.000 1.151 374 R CA 2.246 58.386 56.100 0.066 0.000 0.971 374 R CB -0.693 29.645 30.300 0.062 0.000 0.866 374 R HN 0.577 nan 8.270 nan 0.000 0.447 375 T N -1.925 112.491 114.554 -0.230 0.000 3.025 375 T HA -0.076 4.274 4.350 -0.000 0.000 0.270 375 T C 1.610 176.200 174.700 -0.183 0.000 1.126 375 T CA 0.907 62.854 62.100 -0.256 0.000 1.105 375 T CB -0.255 68.625 68.868 0.019 0.000 0.884 375 T HN 0.392 nan 8.240 nan 0.000 0.522 376 R N 0.334 120.733 120.500 -0.169 0.000 2.115 376 R HA 0.044 4.384 4.340 -0.000 0.000 0.230 376 R C 2.345 178.633 176.300 -0.019 0.000 1.111 376 R CA 1.611 57.653 56.100 -0.097 0.000 0.976 376 R CB -0.262 29.923 30.300 -0.191 0.000 0.870 376 R HN 0.793 nan 8.270 nan 0.000 0.445 377 W N 0.506 121.783 121.300 -0.037 0.000 2.993 377 W HA 0.140 4.800 4.660 -0.000 0.000 0.290 377 W C 1.164 177.696 176.519 0.021 0.000 1.203 377 W CA 0.717 58.087 57.345 0.041 0.000 1.582 377 W CB -0.569 28.957 29.460 0.110 0.000 1.033 377 W HN -0.060 nan 8.180 nan 0.000 0.594 378 T N -1.052 113.087 114.554 -0.692 0.000 2.821 378 T HA 0.113 4.463 4.350 -0.000 0.000 0.267 378 T C 1.908 176.428 174.700 -0.299 0.000 1.046 378 T CA 2.280 63.954 62.100 -0.710 0.000 1.139 378 T CB -0.870 67.467 68.868 -0.884 0.000 0.871 378 T HN 0.567 nan 8.240 nan 0.000 0.454 379 G N 0.854 109.552 108.800 -0.169 0.000 2.179 379 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.220 379 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.220 379 G C 0.560 175.403 174.900 -0.095 0.000 0.990 379 G CA 0.350 45.432 45.100 -0.029 0.000 0.646 379 G HN 0.567 nan 8.290 nan 0.000 0.517 380 E N -0.619 119.410 120.200 -0.284 0.000 2.204 380 E HA 0.016 4.366 4.350 -0.000 0.000 0.195 380 E C 1.350 177.604 176.600 -0.575 0.000 0.990 380 E CA 1.019 57.146 56.400 -0.455 0.000 0.821 380 E CB -0.131 29.148 29.700 -0.701 0.000 0.750 380 E HN 0.561 nan 8.360 nan 0.000 0.477 381 F N 0.425 120.243 119.950 -0.219 0.000 2.693 381 F HA 0.286 4.813 4.527 -0.000 0.000 0.303 381 F C 0.901 176.764 175.800 0.104 0.000 1.097 381 F CA -0.520 57.406 58.000 -0.123 0.000 1.330 381 F CB -0.071 38.749 39.000 -0.300 0.000 1.067 381 F HN -0.158 nan 8.300 nan 0.000 0.565 382 A N 0.237 123.153 122.820 0.161 0.000 2.483 382 A HA 0.331 4.651 4.320 -0.000 0.000 0.238 382 A C 1.371 178.982 177.584 0.045 0.000 1.070 382 A CA 0.596 52.666 52.037 0.055 0.000 0.770 382 A CB -0.008 19.008 19.000 0.027 0.000 1.008 382 A HN 0.367 nan 8.150 nan 0.000 0.497 383 T N -1.789 112.698 114.554 -0.111 0.000 3.054 383 T HA 0.097 4.447 4.350 -0.000 0.000 0.255 383 T C 1.147 175.822 174.700 -0.042 0.000 1.035 383 T CA 0.549 62.632 62.100 -0.029 0.000 0.941 383 T CB -0.332 68.571 68.868 0.059 0.000 1.026 383 T HN 0.712 nan 8.240 nan 0.000 0.533 384 H N 2.070 121.236 119.070 0.160 0.000 2.319 384 H HA 0.010 4.566 4.556 -0.000 0.000 0.297 384 H C 2.602 177.986 175.328 0.092 0.000 1.097 384 H CA 1.562 57.701 56.048 0.152 0.000 1.285 384 H CB -1.103 28.785 29.762 0.210 0.000 1.368 384 H HN 0.536 nan 8.280 nan 0.000 0.495 385 G N 0.815 109.776 108.800 0.268 0.000 2.514 385 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.217 385 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.217 385 G C 2.059 176.753 174.900 -0.343 0.000 1.198 385 G CA 1.904 47.069 45.100 0.109 0.000 0.780 385 G HN 0.571 nan 8.290 nan 0.000 0.565 386 A N 0.241 122.684 122.820 -0.629 0.000 1.933 386 A HA -0.020 4.300 4.320 -0.000 0.000 0.218 386 A C 2.652 179.980 177.584 -0.427 0.000 1.175 386 A CA 2.396 53.830 52.037 -1.004 0.000 0.628 386 A CB -0.830 17.610 19.000 -0.934 0.000 0.814 386 A HN 0.497 nan 8.150 nan 0.000 0.444 387 S N -1.119 114.457 115.700 -0.207 0.000 2.370 387 S HA -0.205 4.265 4.470 -0.000 0.000 0.226 387 S C 1.849 176.393 174.600 -0.093 0.000 1.033 387 S CA 1.642 59.795 58.200 -0.079 0.000 1.011 387 S CB -0.785 62.438 63.200 0.038 0.000 0.852 387 S HN 0.639 nan 8.310 nan 0.000 0.457 388 C N 0.507 119.719 119.300 -0.147 0.000 2.449 388 C HA 0.133 4.593 4.460 -0.000 0.000 0.283 388 C C 1.497 176.268 174.990 -0.365 0.000 1.453 388 C CA 0.141 59.026 59.018 -0.220 0.000 1.779 388 C CB -1.797 25.764 27.740 -0.299 0.000 1.779 388 C HN 0.703 nan 8.230 nan 0.000 0.546 389 Y N -0.002 120.144 120.300 -0.257 0.000 2.524 389 Y HA 0.298 4.848 4.550 -0.000 0.000 0.266 389 Y C 1.791 177.588 175.900 -0.171 0.000 1.180 389 Y CA 0.571 58.543 58.100 -0.213 0.000 1.244 389 Y CB -0.321 37.962 38.460 -0.295 0.000 1.125 389 Y HN 0.295 nan 8.280 nan 0.000 0.524 390 G N 1.270 110.041 108.800 -0.048 0.000 2.198 390 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.260 390 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.260 390 G C -0.149 174.721 174.900 -0.051 0.000 1.025 390 G CA 0.302 45.387 45.100 -0.025 0.000 0.769 390 G HN 0.350 nan 8.290 nan 0.000 0.507 391 I N -0.039 120.453 120.570 -0.130 0.000 2.509 391 I HA 0.332 4.502 4.170 -0.000 0.000 0.293 391 I C -0.788 175.207 176.117 -0.204 0.000 1.020 391 I CA -0.984 60.195 61.300 -0.202 0.000 1.088 391 I CB 1.996 39.803 38.000 -0.322 0.000 1.267 391 I HN 0.017 nan 8.210 nan 0.000 0.430 392 D N 6.790 127.076 120.400 -0.189 0.000 2.456 392 D HA 0.240 4.880 4.640 -0.000 0.000 0.219 392 D C -0.555 175.591 176.300 -0.257 0.000 1.126 392 D CA -0.429 53.483 54.000 -0.147 0.000 0.890 392 D CB 0.771 41.531 40.800 -0.067 0.000 1.025 392 D HN 0.260 nan 8.370 nan 0.000 0.511 393 I N 3.360 123.781 120.570 -0.249 0.000 2.575 393 I HA 0.327 4.497 4.170 -0.000 0.000 0.285 393 I C -0.250 175.625 176.117 -0.403 0.000 1.085 393 I CA 0.099 61.221 61.300 -0.296 0.000 1.403 393 I CB 0.444 38.319 38.000 -0.208 0.000 1.409 393 I HN 0.300 nan 8.210 nan 0.000 0.557 394 R N 4.699 124.881 120.500 -0.531 0.000 2.626 394 R HA 0.497 4.837 4.340 -0.000 0.000 0.274 394 R C -1.538 174.421 176.300 -0.567 0.000 1.031 394 R CA -0.621 55.138 56.100 -0.568 0.000 0.898 394 R CB 1.207 31.235 30.300 -0.453 0.000 1.222 394 R HN 0.596 nan 8.270 nan 0.000 0.455 395 H N 4.009 123.097 119.070 0.031 0.000 2.645 395 H HA 0.212 4.768 4.556 -0.000 0.000 0.257 395 H C -2.012 173.480 175.328 0.274 0.000 1.269 395 H CA -1.923 54.271 56.048 0.243 0.000 1.409 395 H CB 1.459 31.468 29.762 0.411 0.000 1.434 395 H HN 0.347 nan 8.280 nan 0.000 0.505 396 P HA -0.226 nan 4.420 nan 0.000 0.218 396 P C 1.305 178.721 177.300 0.194 0.000 1.154 396 P CA 1.451 64.634 63.100 0.139 0.000 0.872 396 P CB 0.023 31.747 31.700 0.039 0.000 0.790 397 F N -3.049 117.102 119.950 0.335 0.000 2.216 397 F HA -0.095 4.432 4.527 -0.000 0.000 0.300 397 F C 1.690 177.721 175.800 0.386 0.000 1.085 397 F CA 0.673 58.897 58.000 0.373 0.000 1.326 397 F CB -0.728 38.548 39.000 0.460 0.000 1.027 397 F HN 0.022 nan 8.300 nan 0.000 0.497 398 W N 3.096 124.608 121.300 0.352 0.000 1.438 398 W HA 0.203 4.863 4.660 -0.000 0.000 0.455 398 W C 0.276 176.865 176.519 0.117 0.000 0.656 398 W CA -0.234 57.231 57.345 0.199 0.000 2.049 398 W CB -0.272 29.266 29.460 0.130 0.000 1.683 398 W HN -0.100 nan 8.180 nan 0.000 0.228 399 S N -0.370 115.313 115.700 -0.027 0.000 2.578 399 S HA 0.258 4.728 4.470 -0.000 0.000 0.301 399 S C 0.904 175.330 174.600 -0.290 0.000 1.091 399 S CA -0.683 57.413 58.200 -0.174 0.000 1.032 399 S CB 1.491 64.604 63.200 -0.145 0.000 1.064 399 S HN 0.308 nan 8.310 nan 0.000 0.508 400 H N 2.020 120.938 119.070 -0.253 0.000 2.352 400 H HA -0.031 4.525 4.556 -0.000 0.000 0.299 400 H C 2.186 177.285 175.328 -0.382 0.000 1.097 400 H CA 1.934 57.798 56.048 -0.306 0.000 1.311 400 H CB -0.787 28.822 29.762 -0.256 0.000 1.377 400 H HN 0.651 nan 8.280 nan 0.000 0.504 401 S N 0.572 116.031 115.700 -0.401 0.000 2.368 401 S HA -0.106 4.364 4.470 -0.000 0.000 0.225 401 S C 2.278 176.512 174.600 -0.610 0.000 1.030 401 S CA 0.939 58.717 58.200 -0.704 0.000 0.999 401 S CB -0.333 61.984 63.200 -1.470 0.000 0.844 401 S HN 0.146 nan 8.310 nan 0.000 0.459 402 L N 1.805 122.756 121.223 -0.454 0.000 2.056 402 L HA 0.091 4.431 4.340 -0.000 0.000 0.207 402 L C 1.901 178.656 176.870 -0.193 0.000 1.078 402 L CA 1.440 56.180 54.840 -0.165 0.000 0.749 402 L CB -0.615 41.445 42.059 0.003 0.000 0.901 402 L HN 0.277 nan 8.230 nan 0.000 0.433 403 I N -1.172 119.229 120.570 -0.282 0.000 2.163 403 I HA -0.328 3.842 4.170 -0.000 0.000 0.243 403 I C 2.365 178.357 176.117 -0.208 0.000 1.085 403 I CA 1.526 62.621 61.300 -0.343 0.000 1.347 403 I CB -0.494 37.187 38.000 -0.531 0.000 1.044 403 I HN 0.191 nan 8.210 nan 0.000 0.408 404 S N 0.674 116.261 115.700 -0.188 0.000 2.382 404 S HA -0.127 4.343 4.470 -0.000 0.000 0.228 404 S C 1.996 176.569 174.600 -0.045 0.000 1.027 404 S CA 1.017 59.147 58.200 -0.116 0.000 0.991 404 S CB -0.334 62.783 63.200 -0.139 0.000 0.823 404 S HN 0.380 nan 8.310 nan 0.000 0.469 405 L N 0.829 122.009 121.223 -0.071 0.000 2.017 405 L HA -0.155 4.185 4.340 -0.000 0.000 0.208 405 L C 1.921 178.777 176.870 -0.025 0.000 1.073 405 L CA 1.492 56.325 54.840 -0.012 0.000 0.745 405 L CB -0.428 41.655 42.059 0.039 0.000 0.894 405 L HN 0.397 nan 8.230 nan 0.000 0.432 406 C N -1.195 118.047 119.300 -0.096 0.000 2.481 406 C HA -0.087 4.373 4.460 -0.000 0.000 0.275 406 C C 2.410 177.344 174.990 -0.093 0.000 1.419 406 C CA 0.351 59.277 59.018 -0.154 0.000 1.773 406 C CB -1.452 26.072 27.740 -0.359 0.000 1.862 406 C HN 0.655 nan 8.230 nan 0.000 0.530 407 H N 1.989 120.987 119.070 -0.120 0.000 2.292 407 H HA -0.202 4.354 4.556 -0.000 0.000 0.292 407 H C 1.838 177.132 175.328 -0.057 0.000 1.100 407 H CA 2.506 58.501 56.048 -0.089 0.000 1.238 407 H CB -0.020 29.694 29.762 -0.080 0.000 1.355 407 H HN 0.384 nan 8.280 nan 0.000 0.484 408 A N -0.146 122.533 122.820 -0.235 0.000 2.571 408 A HA 0.281 4.601 4.320 -0.000 0.000 0.274 408 A C 0.167 177.705 177.584 -0.076 0.000 1.196 408 A CA -0.340 51.554 52.037 -0.238 0.000 0.957 408 A CB -0.176 18.740 19.000 -0.139 0.000 1.150 408 A HN 0.330 nan 8.150 nan 0.000 0.539 409 L N 1.487 122.696 121.223 -0.022 0.000 2.615 409 L HA -0.032 4.308 4.340 -0.000 0.000 0.284 409 L C 0.757 177.716 176.870 0.149 0.000 1.237 409 L CA 0.377 55.269 54.840 0.087 0.000 0.905 409 L CB -0.213 41.892 42.059 0.076 0.000 1.149 409 L HN 0.495 nan 8.230 nan 0.000 0.499 410 H N 7.276 126.445 119.070 0.165 0.000 3.214 410 H HA -0.047 4.509 4.556 -0.000 0.000 0.291 410 H C -1.726 173.654 175.328 0.086 0.000 0.926 410 H CA -0.831 55.273 56.048 0.094 0.000 1.409 410 H CB 0.697 30.478 29.762 0.031 0.000 1.406 410 H HN 0.537 nan 8.280 nan 0.000 0.561 411 P HA -0.168 nan 4.420 nan 0.000 0.217 411 P C 0.954 178.386 177.300 0.220 0.000 1.148 411 P CA 1.410 64.583 63.100 0.122 0.000 0.834 411 P CB 0.320 32.034 31.700 0.023 0.000 0.783 412 D N -2.588 117.990 120.400 0.295 0.000 2.351 412 D HA -0.151 4.489 4.640 -0.000 0.000 0.216 412 D C 1.324 177.551 176.300 -0.122 0.000 0.968 412 D CA 1.007 55.003 54.000 -0.006 0.000 0.899 412 D CB -0.546 39.995 40.800 -0.431 0.000 0.907 412 D HN 0.299 nan 8.370 nan 0.000 0.514 413 Y N 0.467 120.825 120.300 0.096 0.000 2.490 413 Y HA 0.116 4.666 4.550 -0.000 0.000 0.285 413 Y C 2.000 177.997 175.900 0.162 0.000 1.117 413 Y CA 0.543 58.700 58.100 0.094 0.000 1.262 413 Y CB 0.319 38.849 38.460 0.117 0.000 1.043 413 Y HN -0.071 nan 8.280 nan 0.000 0.553 414 K N -0.400 120.185 120.400 0.309 0.000 2.335 414 K HA 0.262 4.582 4.320 -0.000 0.000 0.195 414 K C 0.068 176.789 176.600 0.202 0.000 1.058 414 K CA 0.461 56.899 56.287 0.251 0.000 0.988 414 K CB 1.243 33.847 32.500 0.173 0.000 0.880 414 K HN 0.063 nan 8.250 nan 0.000 0.513 415 I N 0.367 121.068 120.570 0.218 0.000 2.571 415 I HA 0.358 4.528 4.170 -0.000 0.000 0.286 415 I C -2.021 174.293 176.117 0.329 0.000 1.134 415 I CA -0.872 60.559 61.300 0.219 0.000 1.052 415 I CB 1.168 39.280 38.000 0.186 0.000 1.237 415 I HN -0.085 nan 8.210 nan 0.000 0.435 416 F N 6.942 126.934 119.950 0.070 0.000 2.665 416 F HA 0.267 4.794 4.527 -0.000 0.000 0.308 416 F C -0.843 174.980 175.800 0.038 0.000 1.112 416 F CA -0.465 57.565 58.000 0.049 0.000 0.972 416 F CB 1.222 40.244 39.000 0.037 0.000 1.295 416 F HN 0.711 nan 8.300 nan 0.000 0.440 417 D N 4.573 124.641 120.400 -0.554 0.000 2.982 417 D HA -0.314 4.326 4.640 -0.000 0.000 0.207 417 D C -0.083 176.145 176.300 -0.119 0.000 1.258 417 D CA 1.346 55.132 54.000 -0.355 0.000 0.758 417 D CB -1.104 39.490 40.800 -0.344 0.000 0.886 417 D HN 0.752 nan 8.370 nan 0.000 0.389 418 N N -0.708 117.935 118.700 -0.094 0.000 2.714 418 N HA -0.210 4.530 4.740 -0.000 0.000 0.250 418 N C -0.379 175.108 175.510 -0.040 0.000 1.117 418 N CA 1.528 54.545 53.050 -0.056 0.000 0.719 418 N CB -0.421 38.033 38.487 -0.055 0.000 1.081 418 N HN 0.718 nan 8.380 nan 0.000 0.557 419 E N -0.465 119.734 120.200 -0.001 0.000 2.433 419 E HA 0.687 5.037 4.350 -0.000 0.000 0.273 419 E C -0.569 176.060 176.600 0.048 0.000 0.950 419 E CA -0.727 55.677 56.400 0.007 0.000 0.796 419 E CB 2.889 32.621 29.700 0.054 0.000 1.330 419 E HN -0.085 nan 8.360 nan 0.000 0.455 420 V N 1.220 121.154 119.914 0.032 0.000 3.007 420 V HA 0.301 4.421 4.120 -0.000 0.000 0.311 420 V C -0.274 175.869 176.094 0.082 0.000 1.120 420 V CA -0.747 61.591 62.300 0.064 0.000 0.980 420 V CB 1.993 33.830 31.823 0.023 0.000 1.033 420 V HN 0.742 nan 8.190 nan 0.000 0.429 421 K N 1.586 122.068 120.400 0.137 0.000 3.129 421 K HA -0.252 4.068 4.320 -0.000 0.000 0.273 421 K C 1.006 177.693 176.600 0.144 0.000 1.123 421 K CA 0.804 57.194 56.287 0.171 0.000 0.800 421 K CB -1.079 31.485 32.500 0.107 0.000 1.238 421 K HN 0.803 nan 8.250 nan 0.000 0.492 422 N N 1.088 119.896 118.700 0.179 0.000 2.027 422 N HA -0.225 4.515 4.740 -0.000 0.000 0.200 422 N C 1.579 177.190 175.510 0.167 0.000 1.042 422 N CA 1.854 55.012 53.050 0.181 0.000 0.871 422 N CB -0.195 38.424 38.487 0.221 0.000 1.063 422 N HN 0.370 nan 8.380 nan 0.000 0.438 423 I N 0.403 121.101 120.570 0.213 0.000 2.361 423 I HA -0.125 4.045 4.170 -0.000 0.000 0.251 423 I C 1.798 177.934 176.117 0.032 0.000 1.133 423 I CA 1.004 62.396 61.300 0.153 0.000 1.413 423 I CB -0.208 37.877 38.000 0.142 0.000 1.073 423 I HN 0.231 nan 8.210 nan 0.000 0.424 424 L N -0.201 120.963 121.223 -0.097 0.000 2.072 424 L HA -0.173 4.167 4.340 -0.000 0.000 0.205 424 L C 2.694 179.564 176.870 0.000 0.000 1.079 424 L CA 1.286 55.978 54.840 -0.246 0.000 0.752 424 L CB -0.365 41.399 42.059 -0.492 0.000 0.906 424 L HN 0.204 nan 8.230 nan 0.000 0.436 425 R N -0.255 120.268 120.500 0.037 0.000 2.096 425 R HA -0.178 4.162 4.340 -0.000 0.000 0.235 425 R C 2.050 178.393 176.300 0.073 0.000 1.127 425 R CA 1.463 57.607 56.100 0.073 0.000 0.968 425 R CB -0.183 30.179 30.300 0.104 0.000 0.861 425 R HN 0.475 nan 8.270 nan 0.000 0.440 426 E N -0.235 120.019 120.200 0.090 0.000 2.051 426 E HA -0.244 4.106 4.350 -0.000 0.000 0.192 426 E C 1.723 178.372 176.600 0.082 0.000 0.991 426 E CA 1.327 57.779 56.400 0.087 0.000 0.799 426 E CB -0.219 29.545 29.700 0.107 0.000 0.748 426 E HN 0.339 nan 8.360 nan 0.000 0.449 427 Y N 1.367 121.657 120.300 -0.017 0.000 2.181 427 Y HA -0.192 4.358 4.550 -0.000 0.000 0.288 427 Y C 2.144 178.036 175.900 -0.013 0.000 1.146 427 Y CA 1.275 59.359 58.100 -0.027 0.000 1.164 427 Y CB -0.454 37.970 38.460 -0.060 0.000 0.982 427 Y HN -0.015 nan 8.280 nan 0.000 0.515 428 A N -0.037 122.684 122.820 -0.165 0.000 1.877 428 A HA -0.205 4.115 4.320 -0.000 0.000 0.216 428 A C 2.007 179.483 177.584 -0.180 0.000 1.186 428 A CA 1.981 53.884 52.037 -0.223 0.000 0.620 428 A CB -1.167 17.815 19.000 -0.029 0.000 0.822 428 A HN 0.533 nan 8.150 nan 0.000 0.443 429 D N -0.060 120.291 120.400 -0.082 0.000 2.149 429 D HA -0.152 4.488 4.640 -0.000 0.000 0.198 429 D C 2.235 178.487 176.300 -0.081 0.000 0.990 429 D CA 1.835 55.803 54.000 -0.054 0.000 0.839 429 D CB -0.073 40.723 40.800 -0.006 0.000 0.948 429 D HN 0.490 nan 8.370 nan 0.000 0.460 430 S N -0.789 114.849 115.700 -0.104 0.000 2.500 430 S HA -0.088 4.382 4.470 -0.000 0.000 0.239 430 S C 2.030 176.550 174.600 -0.132 0.000 0.989 430 S CA 0.399 58.543 58.200 -0.093 0.000 0.951 430 S CB -0.513 62.650 63.200 -0.063 0.000 0.759 430 S HN 0.356 nan 8.310 nan 0.000 0.523 431 L N -0.239 120.863 121.223 -0.202 0.000 2.240 431 L HA 0.103 4.442 4.340 -0.000 0.000 0.211 431 L C 0.771 177.579 176.870 -0.103 0.000 1.106 431 L CA 0.263 54.994 54.840 -0.181 0.000 0.793 431 L CB -0.544 41.369 42.059 -0.242 0.000 0.927 431 L HN 0.269 nan 8.230 nan 0.000 0.446 432 Q N -0.166 119.584 119.800 -0.084 0.000 2.460 432 Q HA -0.219 4.121 4.340 -0.000 0.000 0.311 432 Q C 0.400 176.373 176.000 -0.047 0.000 1.396 432 Q CA 0.586 56.356 55.803 -0.054 0.000 0.838 432 Q CB -1.442 27.270 28.738 -0.044 0.000 1.140 432 Q HN 0.333 nan 8.270 nan 0.000 0.415 433 L N -1.531 119.664 121.223 -0.047 0.000 2.902 433 L HA 0.307 4.647 4.340 -0.000 0.000 0.254 433 L C 0.457 177.316 176.870 -0.018 0.000 1.115 433 L CA 0.861 55.683 54.840 -0.031 0.000 0.947 433 L CB 0.621 42.661 42.059 -0.031 0.000 1.369 433 L HN 0.227 nan 8.230 nan 0.000 0.538 434 L N 0.721 121.932 121.223 -0.020 0.000 2.330 434 L HA 0.514 4.854 4.340 -0.000 0.000 0.271 434 L C -2.117 174.745 176.870 -0.013 0.000 1.013 434 L CA -1.826 53.010 54.840 -0.006 0.000 0.816 434 L CB 1.289 43.352 42.059 0.007 0.000 1.287 434 L HN -0.107 nan 8.230 nan 0.000 0.435 435 P HA 0.096 nan 4.420 nan 0.000 0.271 435 P C -0.200 177.071 177.300 -0.049 0.000 1.218 435 P CA -0.466 62.619 63.100 -0.025 0.000 0.780 435 P CB 1.047 32.740 31.700 -0.011 0.000 0.901 436 K N 1.846 122.199 120.400 -0.079 0.000 2.113 436 K HA -0.164 4.156 4.320 -0.000 0.000 0.208 436 K C 1.361 177.805 176.600 -0.259 0.000 1.047 436 K CA 1.873 58.082 56.287 -0.130 0.000 0.928 436 K CB -0.724 31.695 32.500 -0.134 0.000 0.716 436 K HN 0.648 nan 8.250 nan 0.000 0.446 437 D N 0.114 120.358 120.400 -0.261 0.000 2.350 437 D HA -0.123 4.517 4.640 -0.000 0.000 0.216 437 D C 1.723 177.856 176.300 -0.278 0.000 0.968 437 D CA 0.699 54.453 54.000 -0.408 0.000 0.894 437 D CB -0.205 40.492 40.800 -0.171 0.000 0.909 437 D HN 0.265 nan 8.370 nan 0.000 0.520 438 I N -0.196 120.324 120.570 -0.084 0.000 2.927 438 I HA -0.084 4.086 4.170 -0.000 0.000 0.268 438 I C 2.144 178.336 176.117 0.125 0.000 1.153 438 I CA 0.162 61.487 61.300 0.042 0.000 1.459 438 I CB 0.453 38.490 38.000 0.062 0.000 1.149 438 I HN -0.132 nan 8.210 nan 0.000 0.443 439 V N -1.026 118.932 119.914 0.074 0.000 2.725 439 V HA -0.091 4.029 4.120 -0.000 0.000 0.247 439 V C 0.387 176.636 176.094 0.258 0.000 1.058 439 V CA 0.601 62.975 62.300 0.123 0.000 1.080 439 V CB -0.588 31.267 31.823 0.053 0.000 0.713 439 V HN 0.661 nan 8.190 nan 0.000 0.465 440 W N 0.629 121.921 121.300 -0.013 0.000 4.949 440 W HA -0.202 4.458 4.660 -0.000 0.000 0.380 440 W C 0.984 177.508 176.519 0.008 0.000 1.446 440 W CA 0.872 58.213 57.345 -0.006 0.000 0.869 440 W CB -1.103 28.347 29.460 -0.016 0.000 2.591 440 W HN 0.409 nan 8.180 nan 0.000 1.398 452 V N 2.607 122.543 119.914 0.036 0.000 2.490 452 V HA -0.213 3.907 4.120 -0.000 0.000 0.250 452 V C 2.631 178.784 176.094 0.097 0.000 1.061 452 V CA 2.208 64.537 62.300 0.050 0.000 1.064 452 V CB -0.547 31.295 31.823 0.032 0.000 0.670 452 V HN 0.837 nan 8.190 nan 0.000 0.461 453 N N 0.716 119.478 118.700 0.103 0.000 2.223 453 N HA -0.260 4.480 4.740 -0.000 0.000 0.185 453 N C 1.832 177.391 175.510 0.082 0.000 1.016 453 N CA 1.740 54.870 53.050 0.133 0.000 0.863 453 N CB -0.248 38.324 38.487 0.141 0.000 0.983 453 N HN 0.503 nan 8.380 nan 0.000 0.429 454 Q N 0.946 120.782 119.800 0.059 0.000 2.062 454 Q HA 0.228 4.568 4.340 -0.000 0.000 0.196 454 Q C 2.176 178.199 176.000 0.038 0.000 0.967 454 Q CA 1.830 57.650 55.803 0.029 0.000 0.832 454 Q CB -0.593 28.159 28.738 0.024 0.000 0.899 454 Q HN 0.440 nan 8.270 nan 0.000 0.442 455 A N -0.163 122.694 122.820 0.061 0.000 1.978 455 A HA -0.179 4.141 4.320 -0.000 0.000 0.220 455 A C 2.080 179.738 177.584 0.125 0.000 1.170 455 A CA 1.376 53.453 52.037 0.067 0.000 0.636 455 A CB -1.007 18.027 19.000 0.056 0.000 0.810 455 A HN 0.617 nan 8.150 nan 0.000 0.448 456 F N 0.232 120.146 119.950 -0.059 0.000 2.163 456 F HA 0.005 4.532 4.527 -0.000 0.000 0.297 456 F C 2.529 178.252 175.800 -0.128 0.000 1.094 456 F CA 0.717 58.664 58.000 -0.089 0.000 1.290 456 F CB 0.001 38.954 39.000 -0.079 0.000 1.017 456 F HN 0.306 nan 8.300 nan 0.000 0.483 457 A N 0.482 123.239 122.820 -0.106 0.000 2.070 457 A HA -0.189 4.131 4.320 -0.000 0.000 0.220 457 A C 1.709 179.204 177.584 -0.148 0.000 1.159 457 A CA 1.669 53.561 52.037 -0.242 0.000 0.656 457 A CB -0.691 18.197 19.000 -0.187 0.000 0.800 457 A HN 0.460 nan 8.150 nan 0.000 0.453 458 N N 0.005 118.667 118.700 -0.065 0.000 2.250 458 N HA -0.069 4.671 4.740 -0.000 0.000 0.181 458 N C 1.676 177.152 175.510 -0.056 0.000 1.017 458 N CA 1.459 54.480 53.050 -0.049 0.000 0.866 458 N CB -0.414 38.062 38.487 -0.017 0.000 0.985 458 N HN 0.262 nan 8.380 nan 0.000 0.429 459 V N 1.860 121.752 119.914 -0.038 0.000 2.407 459 V HA -0.142 3.978 4.120 -0.000 0.000 0.248 459 V C 2.321 178.339 176.094 -0.127 0.000 1.055 459 V CA 1.190 63.457 62.300 -0.056 0.000 1.049 459 V CB -0.483 31.331 31.823 -0.015 0.000 0.662 459 V HN 0.204 nan 8.190 nan 0.000 0.455 460 L N 0.023 121.132 121.223 -0.190 0.000 2.095 460 L HA 0.223 4.563 4.340 -0.000 0.000 0.204 460 L C 1.843 178.619 176.870 -0.158 0.000 1.080 460 L CA 1.328 56.024 54.840 -0.239 0.000 0.759 460 L CB -0.584 41.263 42.059 -0.353 0.000 0.914 460 L HN 0.547 nan 8.230 nan 0.000 0.439 461 G N -0.435 108.282 108.800 -0.140 0.000 2.143 461 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.175 461 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.175 461 G C 0.119 174.960 174.900 -0.099 0.000 1.004 461 G CA 0.193 45.234 45.100 -0.098 0.000 0.671 461 G HN 0.305 nan 8.290 nan 0.000 0.512 462 S N -1.340 114.279 115.700 -0.134 0.000 2.798 462 S HA 0.833 5.303 4.470 -0.000 0.000 0.312 462 S C 0.500 175.027 174.600 -0.123 0.000 1.122 462 S CA 0.674 58.801 58.200 -0.123 0.000 0.949 462 S CB 1.729 64.841 63.200 -0.148 0.000 1.235 462 S HN 1.068 nan 8.310 nan 0.000 0.552 463 T N 0.610 115.104 114.554 -0.100 0.000 2.909 463 T HA 0.306 4.656 4.350 -0.000 0.000 0.289 463 T C 1.604 176.239 174.700 -0.110 0.000 1.005 463 T CA -0.113 61.940 62.100 -0.079 0.000 1.084 463 T CB 0.498 69.342 68.868 -0.040 0.000 0.975 463 T HN 0.788 nan 8.240 nan 0.000 0.509 464 V N 1.791 121.657 119.914 -0.080 0.000 2.594 464 V HA -0.016 4.104 4.120 -0.000 0.000 0.253 464 V C 2.138 178.238 176.094 0.010 0.000 1.069 464 V CA 2.040 64.291 62.300 -0.082 0.000 1.082 464 V CB -0.936 30.884 31.823 -0.004 0.000 0.680 464 V HN 0.868 nan 8.190 nan 0.000 0.469 465 D N 1.572 122.002 120.400 0.051 0.000 2.123 465 D HA -0.138 4.502 4.640 -0.000 0.000 0.200 465 D C 1.174 177.576 176.300 0.169 0.000 0.976 465 D CA 0.901 54.979 54.000 0.130 0.000 0.831 465 D CB -0.526 40.314 40.800 0.067 0.000 0.974 465 D HN 0.589 nan 8.370 nan 0.000 0.469 466 N N 0.274 119.001 118.700 0.044 0.000 2.406 466 N HA -0.090 4.650 4.740 -0.000 0.000 0.269 466 N C -0.490 175.005 175.510 -0.024 0.000 1.210 466 N CA 0.199 53.264 53.050 0.026 0.000 0.966 466 N CB -0.459 38.010 38.487 -0.030 0.000 1.293 466 N HN 0.093 nan 8.380 nan 0.000 0.491 467 Y N 1.123 121.409 120.300 -0.023 0.000 2.466 467 Y HA 0.120 4.670 4.550 -0.000 0.000 0.272 467 Y C 2.027 177.933 175.900 0.010 0.000 1.169 467 Y CA 0.213 58.305 58.100 -0.013 0.000 1.285 467 Y CB 0.265 38.735 38.460 0.017 0.000 1.078 467 Y HN 0.624 nan 8.280 nan 0.000 0.523 468 Q N -0.838 119.032 119.800 0.116 0.000 2.245 468 Q HA -0.138 4.202 4.340 -0.000 0.000 0.201 468 Q C 2.244 178.280 176.000 0.060 0.000 0.955 468 Q CA 1.538 57.397 55.803 0.093 0.000 0.870 468 Q CB 0.113 28.894 28.738 0.071 0.000 0.945 468 Q HN 0.320 nan 8.270 nan 0.000 0.461 469 T N -0.340 114.212 114.554 -0.004 0.000 2.942 469 T HA -0.027 4.323 4.350 -0.000 0.000 0.265 469 T C 1.495 176.168 174.700 -0.045 0.000 1.062 469 T CA 1.054 63.135 62.100 -0.032 0.000 1.139 469 T CB 0.116 68.925 68.868 -0.098 0.000 0.883 469 T HN 0.210 nan 8.240 nan 0.000 0.468 470 K N 0.456 120.774 120.400 -0.136 0.000 2.062 470 K HA 0.058 4.378 4.320 -0.000 0.000 0.205 470 K C 2.690 179.404 176.600 0.190 0.000 1.051 470 K CA 1.321 57.512 56.287 -0.160 0.000 0.941 470 K CB -0.089 32.171 32.500 -0.399 0.000 0.719 470 K HN 0.189 nan 8.250 nan 0.000 0.440 471 S N 0.799 116.608 115.700 0.183 0.000 2.383 471 S HA -0.101 4.369 4.470 -0.000 0.000 0.227 471 S C 1.863 176.617 174.600 0.256 0.000 1.026 471 S CA 1.070 59.414 58.200 0.239 0.000 0.981 471 S CB -0.104 63.221 63.200 0.208 0.000 0.818 471 S HN 0.173 nan 8.310 nan 0.000 0.472 472 R N 0.804 121.432 120.500 0.214 0.000 2.080 472 R HA -0.062 4.278 4.340 -0.000 0.000 0.236 472 R C 1.916 178.353 176.300 0.228 0.000 1.137 472 R CA 1.631 57.860 56.100 0.214 0.000 0.943 472 R CB -0.817 29.575 30.300 0.152 0.000 0.846 472 R HN 0.448 nan 8.270 nan 0.000 0.431 473 F N 0.906 120.920 119.950 0.107 0.000 2.102 473 F HA -0.216 4.311 4.527 -0.000 0.000 0.298 473 F C 2.245 178.142 175.800 0.163 0.000 1.105 473 F CA 2.161 60.228 58.000 0.112 0.000 1.239 473 F CB -0.967 38.109 39.000 0.126 0.000 0.991 473 F HN 0.205 nan 8.300 nan 0.000 0.474 474 T N -2.049 112.583 114.554 0.129 0.000 2.746 474 T HA -0.307 4.043 4.350 -0.000 0.000 0.267 474 T C 2.081 176.860 174.700 0.132 0.000 1.039 474 T CA 1.712 63.849 62.100 0.062 0.000 1.142 474 T CB -1.586 67.430 68.868 0.245 0.000 0.866 474 T HN 0.599 nan 8.240 nan 0.000 0.444 475 Y N 1.499 121.834 120.300 0.060 0.000 2.352 475 Y HA 0.011 4.561 4.550 -0.000 0.000 0.292 475 Y C 2.897 178.801 175.900 0.007 0.000 1.136 475 Y CA 0.720 58.864 58.100 0.073 0.000 1.227 475 Y CB -0.010 38.496 38.460 0.078 0.000 0.991 475 Y HN 0.087 nan 8.280 nan 0.000 0.545 476 R N -0.306 120.109 120.500 -0.142 0.000 2.073 476 R HA -0.109 4.231 4.340 -0.000 0.000 0.229 476 R C 1.999 178.095 176.300 -0.339 0.000 1.120 476 R CA 1.603 57.528 56.100 -0.293 0.000 0.967 476 R CB -0.539 29.648 30.300 -0.188 0.000 0.862 476 R HN 0.253 nan 8.270 nan 0.000 0.436 477 V N 0.107 119.788 119.914 -0.387 0.000 2.427 477 V HA -0.224 3.896 4.120 -0.000 0.000 0.248 477 V C 1.798 177.768 176.094 -0.207 0.000 1.051 477 V CA 1.713 63.748 62.300 -0.442 0.000 1.048 477 V CB -0.686 30.813 31.823 -0.539 0.000 0.666 477 V HN 0.367 nan 8.190 nan 0.000 0.456 478 Y N 1.286 121.497 120.300 -0.147 0.000 2.053 478 Y HA -0.353 4.197 4.550 -0.000 0.000 0.277 478 Y C 2.701 178.494 175.900 -0.177 0.000 1.159 478 Y CA 2.317 60.423 58.100 0.009 0.000 1.125 478 Y CB -0.421 38.144 38.460 0.174 0.000 0.969 478 Y HN 0.266 nan 8.280 nan 0.000 0.492 479 Q N -0.201 119.364 119.800 -0.392 0.000 2.061 479 Q HA -0.241 4.099 4.340 -0.000 0.000 0.204 479 Q C 2.535 178.241 176.000 -0.489 0.000 0.984 479 Q CA 1.748 57.017 55.803 -0.890 0.000 0.846 479 Q CB -0.524 27.583 28.738 -1.051 0.000 0.902 479 Q HN 0.643 nan 8.270 nan 0.000 0.421 480 A N 0.349 122.952 122.820 -0.360 0.000 1.908 480 A HA -0.192 4.128 4.320 -0.000 0.000 0.218 480 A C 1.877 179.385 177.584 -0.127 0.000 1.181 480 A CA 1.285 53.165 52.037 -0.262 0.000 0.627 480 A CB -0.953 17.843 19.000 -0.340 0.000 0.818 480 A HN 0.392 nan 8.150 nan 0.000 0.445 481 F N -0.965 118.910 119.950 -0.125 0.000 2.146 481 F HA -0.142 4.385 4.527 -0.000 0.000 0.298 481 F C 1.977 177.743 175.800 -0.056 0.000 1.096 481 F CA 0.595 58.577 58.000 -0.030 0.000 1.275 481 F CB -0.068 38.965 39.000 0.055 0.000 1.008 481 F HN 0.143 nan 8.300 nan 0.000 0.480 482 L N -0.231 121.005 121.223 0.022 0.000 2.291 482 L HA -0.084 4.256 4.340 -0.000 0.000 0.214 482 L C 1.940 178.846 176.870 0.059 0.000 1.120 482 L CA 1.434 56.257 54.840 -0.029 0.000 0.799 482 L CB -0.653 41.336 42.059 -0.116 0.000 0.925 482 L HN -0.054 nan 8.230 nan 0.000 0.446 483 R N -0.885 119.653 120.500 0.063 0.000 2.297 483 R HA 0.164 4.504 4.340 -0.000 0.000 0.197 483 R C 1.340 177.668 176.300 0.046 0.000 0.943 483 R CA 0.642 56.791 56.100 0.082 0.000 1.038 483 R CB 0.016 30.357 30.300 0.068 0.000 0.957 483 R HN 0.406 nan 8.270 nan 0.000 0.484 484 G N 0.897 109.737 108.800 0.066 0.000 2.179 484 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.260 484 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.260 484 G C 0.959 175.883 174.900 0.040 0.000 0.977 484 G CA 0.313 45.451 45.100 0.063 0.000 0.641 484 G HN 0.206 nan 8.290 nan 0.000 0.533 485 R N -0.358 120.154 120.500 0.019 0.000 2.070 485 R HA 0.100 4.440 4.340 -0.000 0.000 0.232 485 R C 1.528 177.821 176.300 -0.011 0.000 1.138 485 R CA 0.994 57.084 56.100 -0.017 0.000 0.936 485 R CB -0.515 29.751 30.300 -0.058 0.000 0.839 485 R HN 0.473 nan 8.270 nan 0.000 0.429 486 L N 0.879 122.098 121.223 -0.007 0.000 2.357 486 L HA 0.205 4.545 4.340 -0.000 0.000 0.273 486 L C 0.361 177.384 176.870 0.255 0.000 1.080 486 L CA -0.331 54.517 54.840 0.014 0.000 0.803 486 L CB 1.610 43.477 42.059 -0.319 0.000 1.174 486 L HN 0.043 nan 8.230 nan 0.000 0.443 487 S N 2.092 117.895 115.700 0.171 0.000 2.482 487 S HA 0.315 4.785 4.470 -0.000 0.000 0.303 487 S C 0.855 175.433 174.600 -0.037 0.000 1.091 487 S CA -0.711 57.516 58.200 0.045 0.000 1.057 487 S CB 1.198 64.373 63.200 -0.042 0.000 1.031 487 S HN 0.586 nan 8.310 nan 0.000 0.485 488 I N 4.562 124.821 120.570 -0.517 0.000 2.916 488 I HA -0.060 4.110 4.170 -0.000 0.000 0.267 488 I C 1.613 177.531 176.117 -0.332 0.000 1.263 488 I CA 1.338 62.203 61.300 -0.724 0.000 1.471 488 I CB -1.066 35.834 38.000 -1.833 0.000 1.089 488 I HN 0.701 nan 8.210 nan 0.000 0.468 489 T N 1.148 115.558 114.554 -0.240 0.000 2.812 489 T HA -0.108 4.242 4.350 -0.000 0.000 0.264 489 T C 0.899 175.562 174.700 -0.063 0.000 1.042 489 T CA 1.606 63.630 62.100 -0.126 0.000 1.140 489 T CB -0.150 68.651 68.868 -0.111 0.000 0.870 489 T HN 0.518 nan 8.240 nan 0.000 0.445 490 D N 0.206 120.578 120.400 -0.047 0.000 2.563 490 D HA 0.253 4.893 4.640 -0.000 0.000 0.237 490 D C 0.163 176.464 176.300 0.001 0.000 1.282 490 D CA -0.475 53.514 54.000 -0.018 0.000 0.816 490 D CB -0.553 40.234 40.800 -0.021 0.000 1.066 490 D HN 0.215 nan 8.370 nan 0.000 0.501 491 V N 1.503 121.429 119.914 0.020 0.000 2.763 491 V HA 0.423 4.543 4.120 -0.000 0.000 0.306 491 V C 0.177 176.293 176.094 0.036 0.000 1.059 491 V CA 0.917 63.242 62.300 0.043 0.000 1.138 491 V CB 0.906 32.809 31.823 0.133 0.000 0.940 491 V HN 0.564 nan 8.190 nan 0.000 0.489 492 T N 4.027 118.594 114.554 0.023 0.000 2.901 492 T HA 0.599 4.949 4.350 -0.000 0.000 0.293 492 T C -1.955 172.764 174.700 0.033 0.000 1.084 492 T CA -1.183 60.933 62.100 0.028 0.000 1.008 492 T CB 1.863 70.741 68.868 0.017 0.000 1.170 492 T HN 0.457 nan 8.240 nan 0.000 0.509 493 P HA -0.079 nan 4.420 nan 0.000 0.220 493 P C 1.683 179.004 177.300 0.036 0.000 1.148 493 P CA 0.953 64.081 63.100 0.047 0.000 0.803 493 P CB 0.033 31.756 31.700 0.039 0.000 0.782 494 S N -0.104 115.609 115.700 0.022 0.000 2.383 494 S HA -0.202 4.268 4.470 -0.000 0.000 0.229 494 S C 2.139 176.746 174.600 0.012 0.000 1.030 494 S CA 1.302 59.510 58.200 0.014 0.000 1.002 494 S CB -0.704 62.501 63.200 0.008 0.000 0.829 494 S HN 0.192 nan 8.310 nan 0.000 0.467 495 Q N -0.385 119.418 119.800 0.005 0.000 2.230 495 Q HA 0.023 4.363 4.340 -0.000 0.000 0.202 495 Q C 1.909 177.910 176.000 0.001 0.000 0.963 495 Q CA 0.946 56.742 55.803 -0.013 0.000 0.866 495 Q CB -0.130 28.585 28.738 -0.039 0.000 0.931 495 Q HN 0.409 nan 8.270 nan 0.000 0.452 496 L N 0.698 121.948 121.223 0.044 0.000 2.156 496 L HA -0.110 4.230 4.340 -0.000 0.000 0.208 496 L C 2.140 179.123 176.870 0.188 0.000 1.095 496 L CA 1.477 56.406 54.840 0.149 0.000 0.770 496 L CB -0.516 41.680 42.059 0.228 0.000 0.914 496 L HN 0.019 nan 8.230 nan 0.000 0.439 497 K N -0.023 120.429 120.400 0.086 0.000 2.148 497 K HA -0.143 4.177 4.320 -0.000 0.000 0.204 497 K C 1.434 178.062 176.600 0.047 0.000 1.050 497 K CA 1.044 57.359 56.287 0.047 0.000 0.942 497 K CB -0.133 32.377 32.500 0.016 0.000 0.724 497 K HN 0.334 nan 8.250 nan 0.000 0.446 498 D N 0.712 121.134 120.400 0.038 0.000 2.218 498 D HA -0.123 4.517 4.640 -0.000 0.000 0.204 498 D C 1.916 178.236 176.300 0.033 0.000 0.976 498 D CA 0.698 54.710 54.000 0.020 0.000 0.853 498 D CB 0.168 40.968 40.800 -0.000 0.000 0.939 498 D HN 0.226 nan 8.370 nan 0.000 0.481 499 L N 0.300 121.566 121.223 0.070 0.000 2.162 499 L HA 0.008 4.348 4.340 -0.000 0.000 0.205 499 L C 2.458 179.423 176.870 0.158 0.000 1.086 499 L CA 0.303 55.195 54.840 0.086 0.000 0.778 499 L CB -0.121 41.978 42.059 0.067 0.000 0.928 499 L HN -0.046 nan 8.230 nan 0.000 0.446 500 I N -0.498 120.187 120.570 0.192 0.000 2.335 500 I HA -0.225 3.945 4.170 -0.000 0.000 0.251 500 I C 1.225 177.376 176.117 0.056 0.000 1.129 500 I CA 1.333 62.705 61.300 0.119 0.000 1.402 500 I CB -0.090 37.903 38.000 -0.012 0.000 1.069 500 I HN 0.244 nan 8.210 nan 0.000 0.424 501 K N 0.000 120.424 120.400 0.040 0.000 2.780 501 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 501 K CA 0.000 56.299 56.287 0.019 0.000 0.838 501 K CB 0.000 32.503 32.500 0.005 0.000 1.064 501 K HN 0.000 nan 8.250 nan 0.000 0.543