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 1y4s_1_B DATA FIRST_RESID 1 DATA SEQUENCE MKGQETRGFQ SEVKQLLHLM IHSLYSNKEI FLRELISNAS DAADKLRFRA DATA SEQUENCE LSNPDLYEGD GELRVRVSFD KDKRTLTISD NGVGMTRDEV IDHLGTIAKS DATA SEQUENCE GTKSFLESXX XXXXXXSQLI GQFGVGFYSA FIVADKVTVR TRAAGEKPEN DATA SEQUENCE GVFWESAGEG EYTVADITKE DRGTEITLHL REGEDEFLDD WRVRSIISKY DATA SEQUENCE SDHIALPVEI EKREEKDGET VISWEKINKA QALWTRNKSE ITDEEYKEFY DATA SEQUENCE KHIAHDFNDP LTWSHNRVEG KQEYTSLLYI PSQAPWDMWN RDHKHGLKLY DATA SEQUENCE VQRVFIMDDA EQFMPNYLRF VRGLIDSSDL PLNVSREILQ DSTVTRNLRN DATA SEQUENCE ALTKRVLQML EKLAKDDAEK YQTFWQQFGL VLKEGPAEDF ANQEAIAKLL DATA SEQUENCE RFASTHTDSS AQTVSLEDYV SRMKEGQEKI YYITADSYAA AKSSPHLELL DATA SEQUENCE RKKGIEVLLL SDRIDEWMMN YLTEFDGKPF QSV VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.253 176.300 -0.078 0.000 1.140 1 M CA 0.000 55.246 55.300 -0.090 0.000 0.988 1 M CB 0.000 32.488 32.600 -0.187 0.000 1.302 2 K N 0.740 121.116 120.400 -0.040 0.000 2.207 2 K HA 0.953 5.273 4.320 -0.000 0.000 0.255 2 K C 0.363 176.959 176.600 -0.008 0.000 0.941 2 K CA 0.049 56.319 56.287 -0.028 0.000 0.825 2 K CB 1.901 34.388 32.500 -0.022 0.000 1.119 2 K HN 0.616 nan 8.250 nan 0.000 0.430 3 G N 1.341 110.138 108.800 -0.004 0.000 2.240 3 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.181 3 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.181 3 G C -0.554 174.357 174.900 0.019 0.000 1.028 3 G CA -0.661 44.446 45.100 0.013 0.000 0.760 3 G HN 0.539 nan 8.290 nan 0.000 0.508 4 Q N 0.513 120.315 119.800 0.002 0.000 2.283 4 Q HA 0.323 4.663 4.340 -0.000 0.000 0.301 4 Q C 0.136 176.131 176.000 -0.009 0.000 1.063 4 Q CA 1.106 56.911 55.803 0.003 0.000 0.952 4 Q CB 0.707 29.433 28.738 -0.020 0.000 1.166 4 Q HN 0.657 nan 8.270 nan 0.000 0.381 5 E N 1.632 121.825 120.200 -0.012 0.000 2.390 5 E HA 0.428 4.778 4.350 -0.000 0.000 0.277 5 E C -1.532 175.000 176.600 -0.115 0.000 0.939 5 E CA -0.572 55.798 56.400 -0.049 0.000 0.769 5 E CB 2.083 31.771 29.700 -0.021 0.000 1.251 5 E HN 0.432 nan 8.360 nan 0.000 0.450 6 T N 2.587 117.032 114.554 -0.182 0.000 2.881 6 T HA 0.543 4.893 4.350 -0.000 0.000 0.290 6 T C -0.675 173.779 174.700 -0.410 0.000 1.000 6 T CA -0.633 61.277 62.100 -0.316 0.000 0.978 6 T CB 1.301 70.021 68.868 -0.247 0.000 0.997 6 T HN 0.401 nan 8.240 nan 0.000 0.443 7 R N 0.431 120.485 120.500 -0.744 0.000 2.923 7 R HA 0.795 5.135 4.340 -0.000 0.000 0.252 7 R C 0.237 176.178 176.300 -0.598 0.000 1.130 7 R CA -0.777 54.933 56.100 -0.649 0.000 1.043 7 R CB 1.351 31.232 30.300 -0.698 0.000 1.205 7 R HN 0.730 nan 8.270 nan 0.000 0.495 8 G N 0.459 109.072 108.800 -0.311 0.000 2.388 8 G HA2 0.501 4.461 3.960 -0.000 0.000 0.330 8 G HA3 0.501 4.461 3.960 -0.000 0.000 0.330 8 G C -1.045 173.842 174.900 -0.022 0.000 1.142 8 G CA -0.371 44.608 45.100 -0.202 0.000 0.908 8 G HN 0.203 nan 8.290 nan 0.000 0.473 9 F N 0.382 120.378 119.950 0.076 0.000 2.471 9 F HA 0.242 4.769 4.527 -0.000 0.000 0.353 9 F C 1.310 177.138 175.800 0.047 0.000 1.113 9 F CA -0.471 57.599 58.000 0.116 0.000 1.262 9 F CB 1.050 40.083 39.000 0.056 0.000 1.146 9 F HN 0.390 nan 8.300 nan 0.000 0.578 10 Q N 1.143 121.110 119.800 0.279 0.000 2.304 10 Q HA -0.118 4.222 4.340 -0.000 0.000 0.315 10 Q C 1.625 177.668 176.000 0.072 0.000 1.075 10 Q CA 0.502 56.385 55.803 0.134 0.000 0.988 10 Q CB 0.673 29.471 28.738 0.101 0.000 1.146 10 Q HN 0.895 nan 8.270 nan 0.000 0.383 11 S N 2.991 118.715 115.700 0.041 0.000 2.409 11 S HA -0.268 4.202 4.470 -0.000 0.000 0.237 11 S C 1.373 175.933 174.600 -0.066 0.000 1.060 11 S CA 2.180 60.381 58.200 0.002 0.000 1.052 11 S CB -0.129 63.075 63.200 0.007 0.000 0.871 11 S HN 0.803 nan 8.310 nan 0.000 0.465 12 E N -0.123 120.024 120.200 -0.088 0.000 2.285 12 E HA -0.021 4.329 4.350 -0.000 0.000 0.194 12 E C 1.995 178.423 176.600 -0.286 0.000 0.997 12 E CA 1.033 57.307 56.400 -0.210 0.000 0.845 12 E CB -0.424 29.193 29.700 -0.139 0.000 0.782 12 E HN 0.509 nan 8.360 nan 0.000 0.491 13 V N 2.097 121.895 119.914 -0.193 0.000 2.358 13 V HA -0.252 3.868 4.120 -0.000 0.000 0.246 13 V C 2.584 178.477 176.094 -0.336 0.000 1.047 13 V CA 2.188 64.313 62.300 -0.293 0.000 1.035 13 V CB -0.589 31.030 31.823 -0.340 0.000 0.658 13 V HN 0.268 nan 8.190 nan 0.000 0.452 14 K N -0.057 120.219 120.400 -0.206 0.000 2.147 14 K HA -0.215 4.105 4.320 -0.000 0.000 0.205 14 K C 2.143 178.620 176.600 -0.205 0.000 1.049 14 K CA 1.462 57.657 56.287 -0.154 0.000 0.936 14 K CB -0.095 32.372 32.500 -0.056 0.000 0.722 14 K HN 0.575 nan 8.250 nan 0.000 0.446 15 Q N 0.270 119.856 119.800 -0.356 0.000 2.224 15 Q HA -0.148 4.191 4.340 -0.000 0.000 0.203 15 Q C 2.063 177.714 176.000 -0.582 0.000 0.970 15 Q CA 0.954 56.367 55.803 -0.651 0.000 0.865 15 Q CB -0.079 27.852 28.738 -1.344 0.000 0.922 15 Q HN 0.305 nan 8.270 nan 0.000 0.445 16 L N 0.238 121.203 121.223 -0.430 0.000 2.062 16 L HA -0.062 4.278 4.340 -0.000 0.000 0.202 16 L C 1.909 178.669 176.870 -0.184 0.000 1.079 16 L CA 1.228 55.896 54.840 -0.287 0.000 0.755 16 L CB -0.656 41.244 42.059 -0.265 0.000 0.913 16 L HN 0.085 nan 8.230 nan 0.000 0.445 17 L N -0.207 120.890 121.223 -0.209 0.000 1.950 17 L HA -0.359 3.981 4.340 -0.000 0.000 0.233 17 L C 2.739 179.600 176.870 -0.016 0.000 1.090 17 L CA 2.074 56.841 54.840 -0.121 0.000 0.809 17 L CB -1.572 40.364 42.059 -0.207 0.000 0.905 17 L HN 0.494 nan 8.230 nan 0.000 0.439 18 H N -0.355 118.657 119.070 -0.096 0.000 2.437 18 H HA -0.231 4.325 4.556 -0.000 0.000 0.296 18 H C 1.786 177.081 175.328 -0.055 0.000 1.121 18 H CA 2.111 58.133 56.048 -0.043 0.000 1.255 18 H CB -0.104 29.616 29.762 -0.068 0.000 1.366 18 H HN 0.183 nan 8.280 nan 0.000 0.512 19 L N -0.134 120.974 121.223 -0.191 0.000 2.022 19 L HA -0.070 4.270 4.340 -0.000 0.000 0.204 19 L C 2.771 179.567 176.870 -0.122 0.000 1.076 19 L CA 2.097 56.807 54.840 -0.217 0.000 0.749 19 L CB -0.854 41.184 42.059 -0.036 0.000 0.903 19 L HN 0.502 nan 8.230 nan 0.000 0.439 20 M N -0.689 118.869 119.600 -0.069 0.000 2.116 20 M HA -0.314 4.166 4.480 -0.000 0.000 0.255 20 M C 2.180 178.486 176.300 0.010 0.000 1.075 20 M CA 2.324 57.599 55.300 -0.042 0.000 1.087 20 M CB -0.552 32.028 32.600 -0.034 0.000 1.340 20 M HN 0.359 nan 8.290 nan 0.000 0.402 21 I N 0.182 120.792 120.570 0.068 0.000 2.068 21 I HA -0.382 3.788 4.170 -0.000 0.000 0.238 21 I C 2.437 178.660 176.117 0.176 0.000 1.046 21 I CA 2.076 63.461 61.300 0.141 0.000 1.306 21 I CB -1.151 36.973 38.000 0.206 0.000 1.023 21 I HN 0.418 nan 8.210 nan 0.000 0.399 22 H N -0.007 119.041 119.070 -0.036 0.000 2.319 22 H HA -0.167 4.389 4.556 -0.000 0.000 0.299 22 H C 2.486 177.814 175.328 0.001 0.000 1.092 22 H CA 1.679 57.714 56.048 -0.023 0.000 1.302 22 H CB -0.728 28.981 29.762 -0.088 0.000 1.373 22 H HN 0.288 nan 8.280 nan 0.000 0.497 23 S N -0.173 115.591 115.700 0.107 0.000 2.440 23 S HA -0.091 4.379 4.470 -0.000 0.000 0.240 23 S C 1.436 176.040 174.600 0.007 0.000 1.014 23 S CA 1.065 59.281 58.200 0.027 0.000 0.980 23 S CB -0.156 63.024 63.200 -0.034 0.000 0.775 23 S HN 0.415 nan 8.310 nan 0.000 0.499 24 L N -0.580 120.660 121.223 0.028 0.000 3.016 24 L HA 0.331 4.671 4.340 -0.000 0.000 0.267 24 L C 1.129 178.042 176.870 0.071 0.000 1.182 24 L CA -0.114 54.723 54.840 -0.004 0.000 0.997 24 L CB -0.097 41.906 42.059 -0.093 0.000 1.354 24 L HN 0.262 nan 8.230 nan 0.000 0.569 25 Y N 1.431 121.736 120.300 0.009 0.000 2.569 25 Y HA -0.257 4.293 4.550 -0.000 0.000 0.293 25 Y C 2.605 178.541 175.900 0.060 0.000 1.144 25 Y CA 1.516 59.631 58.100 0.025 0.000 1.321 25 Y CB 0.207 38.661 38.460 -0.009 0.000 0.982 25 Y HN 0.340 nan 8.280 nan 0.000 0.558 26 S N -0.617 115.187 115.700 0.173 0.000 2.355 26 S HA -0.122 4.348 4.470 -0.000 0.000 0.222 26 S C 0.678 175.345 174.600 0.112 0.000 1.031 26 S CA 1.081 59.370 58.200 0.147 0.000 0.993 26 S CB -0.387 62.899 63.200 0.143 0.000 0.859 26 S HN 0.420 nan 8.310 nan 0.000 0.453 27 N N 1.776 120.546 118.700 0.118 0.000 2.936 27 N HA 0.311 5.051 4.740 -0.000 0.000 0.243 27 N C 0.471 176.044 175.510 0.104 0.000 1.149 27 N CA -0.386 52.764 53.050 0.166 0.000 0.914 27 N CB 1.278 39.961 38.487 0.327 0.000 1.179 27 N HN 0.641 nan 8.380 nan 0.000 0.502 28 K N -0.280 120.153 120.400 0.055 0.000 2.352 28 K HA 0.132 4.451 4.320 -0.000 0.000 0.194 28 K C 0.291 177.057 176.600 0.277 0.000 1.038 28 K CA 0.526 56.846 56.287 0.054 0.000 1.023 28 K CB 0.332 32.719 32.500 -0.189 0.000 0.840 28 K HN -0.026 nan 8.250 nan 0.000 0.519 29 E N 1.695 122.068 120.200 0.288 0.000 2.455 29 E HA -0.073 4.277 4.350 -0.000 0.000 0.202 29 E C 1.459 178.117 176.600 0.096 0.000 1.045 29 E CA 0.636 57.232 56.400 0.326 0.000 0.872 29 E CB -0.432 29.465 29.700 0.329 0.000 0.792 29 E HN 0.393 nan 8.360 nan 0.000 0.542 30 I N 0.625 121.249 120.570 0.091 0.000 2.099 30 I HA -0.330 3.840 4.170 -0.000 0.000 0.239 30 I C 2.149 178.172 176.117 -0.158 0.000 1.066 30 I CA 1.530 62.785 61.300 -0.076 0.000 1.324 30 I CB -0.588 37.445 38.000 0.055 0.000 1.037 30 I HN 0.209 nan 8.210 nan 0.000 0.401 31 F N 1.096 120.947 119.950 -0.166 0.000 2.082 31 F HA -0.306 4.221 4.527 -0.000 0.000 0.298 31 F C 2.121 177.812 175.800 -0.182 0.000 1.091 31 F CA 1.387 59.265 58.000 -0.204 0.000 1.230 31 F CB -1.549 37.294 39.000 -0.261 0.000 0.983 31 F HN -0.017 nan 8.300 nan 0.000 0.485 32 L N 0.692 121.128 121.223 -1.312 0.000 2.187 32 L HA -0.117 4.223 4.340 -0.000 0.000 0.213 32 L C 2.696 179.322 176.870 -0.407 0.000 1.100 32 L CA 1.565 55.888 54.840 -0.861 0.000 0.765 32 L CB -1.153 40.419 42.059 -0.812 0.000 0.904 32 L HN 0.379 nan 8.230 nan 0.000 0.437 33 R N -0.822 119.406 120.500 -0.454 0.000 2.075 33 R HA -0.084 4.256 4.340 -0.000 0.000 0.226 33 R C 1.905 178.051 176.300 -0.257 0.000 1.114 33 R CA 0.847 56.691 56.100 -0.426 0.000 0.972 33 R CB -0.014 29.747 30.300 -0.897 0.000 0.869 33 R HN 0.282 nan 8.270 nan 0.000 0.437 34 E N 1.032 121.102 120.200 -0.216 0.000 2.153 34 E HA -0.126 4.224 4.350 -0.000 0.000 0.194 34 E C 2.084 178.623 176.600 -0.102 0.000 0.988 34 E CA 0.800 57.126 56.400 -0.123 0.000 0.811 34 E CB -0.099 29.549 29.700 -0.086 0.000 0.746 34 E HN 0.380 nan 8.360 nan 0.000 0.466 35 L N -0.095 121.057 121.223 -0.118 0.000 2.072 35 L HA -0.080 4.260 4.340 -0.000 0.000 0.205 35 L C 2.478 179.291 176.870 -0.094 0.000 1.079 35 L CA 0.691 55.482 54.840 -0.082 0.000 0.752 35 L CB -0.330 41.687 42.059 -0.070 0.000 0.906 35 L HN 0.077 nan 8.230 nan 0.000 0.436 36 I N -0.624 119.871 120.570 -0.125 0.000 2.179 36 I HA -0.307 3.863 4.170 -0.000 0.000 0.242 36 I C 2.891 178.904 176.117 -0.174 0.000 1.088 36 I CA 1.409 62.625 61.300 -0.139 0.000 1.357 36 I CB -0.332 37.580 38.000 -0.148 0.000 1.051 36 I HN 0.256 nan 8.210 nan 0.000 0.409 37 S N 1.413 117.005 115.700 -0.180 0.000 2.374 37 S HA -0.249 4.221 4.470 -0.000 0.000 0.227 37 S C 1.917 176.490 174.600 -0.045 0.000 1.037 37 S CA 2.125 60.230 58.200 -0.158 0.000 1.024 37 S CB -0.366 62.831 63.200 -0.006 0.000 0.861 37 S HN 0.413 nan 8.310 nan 0.000 0.456 38 N N 1.751 120.414 118.700 -0.062 0.000 2.188 38 N HA 0.086 4.826 4.740 -0.000 0.000 0.184 38 N C 1.964 177.419 175.510 -0.092 0.000 1.018 38 N CA 1.331 54.334 53.050 -0.078 0.000 0.858 38 N CB -1.032 37.400 38.487 -0.092 0.000 0.989 38 N HN 0.566 nan 8.380 nan 0.000 0.426 39 A N 0.222 122.988 122.820 -0.091 0.000 1.933 39 A HA -0.141 4.179 4.320 -0.000 0.000 0.218 39 A C 2.459 179.993 177.584 -0.083 0.000 1.175 39 A CA 1.956 53.941 52.037 -0.085 0.000 0.628 39 A CB -0.801 18.150 19.000 -0.082 0.000 0.814 39 A HN 0.335 nan 8.150 nan 0.000 0.444 40 S N -0.119 115.524 115.700 -0.095 0.000 2.345 40 S HA -0.183 4.287 4.470 -0.000 0.000 0.220 40 S C 1.685 176.247 174.600 -0.062 0.000 1.031 40 S CA 1.568 59.721 58.200 -0.078 0.000 0.996 40 S CB -0.548 62.571 63.200 -0.135 0.000 0.882 40 S HN 0.596 nan 8.310 nan 0.000 0.445 41 D N 1.436 121.794 120.400 -0.071 0.000 2.182 41 D HA -0.068 4.572 4.640 -0.000 0.000 0.201 41 D C 2.101 178.299 176.300 -0.170 0.000 0.986 41 D CA 1.250 55.144 54.000 -0.177 0.000 0.847 41 D CB -0.399 40.302 40.800 -0.167 0.000 0.942 41 D HN 0.552 nan 8.370 nan 0.000 0.467 42 A N 0.964 123.714 122.820 -0.117 0.000 2.014 42 A HA 0.086 4.406 4.320 -0.000 0.000 0.218 42 A C 2.296 179.857 177.584 -0.038 0.000 1.163 42 A CA 1.566 53.550 52.037 -0.089 0.000 0.652 42 A CB -0.242 18.705 19.000 -0.089 0.000 0.808 42 A HN 0.239 nan 8.150 nan 0.000 0.449 43 A N 0.144 122.948 122.820 -0.027 0.000 1.898 43 A HA -0.052 4.268 4.320 -0.000 0.000 0.214 43 A C 1.685 179.313 177.584 0.073 0.000 1.183 43 A CA 1.535 53.588 52.037 0.027 0.000 0.622 43 A CB -0.403 18.608 19.000 0.018 0.000 0.824 43 A HN 0.398 nan 8.150 nan 0.000 0.444 44 D N 0.331 120.745 120.400 0.023 0.000 2.144 44 D HA -0.121 4.519 4.640 -0.000 0.000 0.199 44 D C 1.770 178.210 176.300 0.233 0.000 0.984 44 D CA 0.983 55.039 54.000 0.093 0.000 0.834 44 D CB -0.169 40.489 40.800 -0.236 0.000 0.955 44 D HN 0.201 nan 8.370 nan 0.000 0.465 45 K N 0.425 120.899 120.400 0.124 0.000 2.063 45 K HA -0.122 4.198 4.320 -0.000 0.000 0.208 45 K C 2.074 178.802 176.600 0.213 0.000 1.048 45 K CA 0.311 56.727 56.287 0.215 0.000 0.928 45 K CB -0.720 31.830 32.500 0.082 0.000 0.713 45 K HN 0.176 nan 8.250 nan 0.000 0.442 46 L N 1.850 123.154 121.223 0.136 0.000 1.976 46 L HA -0.141 4.199 4.340 -0.000 0.000 0.209 46 L C 2.276 179.209 176.870 0.105 0.000 1.071 46 L CA 1.682 56.578 54.840 0.095 0.000 0.746 46 L CB -0.571 41.561 42.059 0.121 0.000 0.890 46 L HN 0.072 nan 8.230 nan 0.000 0.432 47 R N -1.422 119.218 120.500 0.232 0.000 2.154 47 R HA -0.247 4.093 4.340 -0.000 0.000 0.248 47 R C 2.184 178.619 176.300 0.226 0.000 1.155 47 R CA 1.755 58.024 56.100 0.282 0.000 0.979 47 R CB -0.800 29.685 30.300 0.308 0.000 0.869 47 R HN 0.375 nan 8.270 nan 0.000 0.452 48 F N 1.856 121.849 119.950 0.071 0.000 2.039 48 F HA -0.130 4.397 4.527 -0.000 0.000 0.294 48 F C 2.300 178.077 175.800 -0.039 0.000 1.130 48 F CA 1.354 59.361 58.000 0.011 0.000 1.189 48 F CB -0.393 38.618 39.000 0.018 0.000 0.983 48 F HN -0.214 nan 8.300 nan 0.000 0.471 49 R N 0.475 120.836 120.500 -0.232 0.000 2.103 49 R HA -0.183 4.157 4.340 -0.000 0.000 0.242 49 R C 2.342 178.455 176.300 -0.311 0.000 1.142 49 R CA 1.426 57.309 56.100 -0.361 0.000 0.960 49 R CB -1.201 28.978 30.300 -0.202 0.000 0.858 49 R HN 0.417 nan 8.270 nan 0.000 0.439 50 A N 1.523 124.166 122.820 -0.294 0.000 2.024 50 A HA -0.149 4.171 4.320 -0.000 0.000 0.220 50 A C 2.204 179.662 177.584 -0.209 0.000 1.164 50 A CA 1.192 52.992 52.037 -0.395 0.000 0.643 50 A CB -0.516 18.025 19.000 -0.765 0.000 0.806 50 A HN 0.174 nan 8.150 nan 0.000 0.451 51 L N -1.000 120.141 121.223 -0.136 0.000 1.955 51 L HA -0.216 4.124 4.340 -0.000 0.000 0.213 51 L C 2.898 179.700 176.870 -0.113 0.000 1.072 51 L CA 1.752 56.548 54.840 -0.073 0.000 0.755 51 L CB -0.896 41.133 42.059 -0.049 0.000 0.888 51 L HN 0.478 nan 8.230 nan 0.000 0.432 52 S N 0.023 115.609 115.700 -0.189 0.000 2.368 52 S HA -0.229 4.241 4.470 -0.000 0.000 0.226 52 S C 1.059 175.579 174.600 -0.132 0.000 1.044 52 S CA 2.017 60.114 58.200 -0.172 0.000 1.062 52 S CB -0.298 62.757 63.200 -0.242 0.000 0.931 52 S HN 0.528 nan 8.310 nan 0.000 0.440 53 N N 0.152 118.758 118.700 -0.156 0.000 2.664 53 N HA 0.420 5.160 4.740 -0.000 0.000 0.257 53 N C -2.813 172.603 175.510 -0.157 0.000 1.108 53 N CA -1.986 50.986 53.050 -0.129 0.000 0.822 53 N CB 1.621 40.036 38.487 -0.120 0.000 1.199 53 N HN -0.042 nan 8.380 nan 0.000 0.529 54 P HA -0.000 nan 4.420 nan 0.000 0.240 54 P C -0.122 177.142 177.300 -0.061 0.000 1.186 54 P CA 0.755 63.799 63.100 -0.095 0.000 0.755 54 P CB 0.273 31.981 31.700 0.013 0.000 0.870 55 D N -1.704 118.646 120.400 -0.082 0.000 2.349 55 D HA 0.118 4.758 4.640 -0.000 0.000 0.214 55 D C 1.676 177.941 176.300 -0.060 0.000 1.063 55 D CA 0.176 54.155 54.000 -0.035 0.000 0.847 55 D CB -0.016 40.768 40.800 -0.026 0.000 0.933 55 D HN 0.200 nan 8.370 nan 0.000 0.513 56 L N -0.192 120.930 121.223 -0.167 0.000 2.265 56 L HA -0.116 4.223 4.340 -0.000 0.000 0.215 56 L C 1.190 178.015 176.870 -0.074 0.000 1.117 56 L CA 0.833 55.576 54.840 -0.162 0.000 0.782 56 L CB -0.293 41.614 42.059 -0.252 0.000 0.914 56 L HN 0.127 nan 8.230 nan 0.000 0.441 57 Y N -0.237 120.057 120.300 -0.010 0.000 2.506 57 Y HA 0.010 4.560 4.550 -0.000 0.000 0.333 57 Y C 0.918 176.812 175.900 -0.009 0.000 1.177 57 Y CA -0.630 57.465 58.100 -0.008 0.000 1.292 57 Y CB -0.452 38.005 38.460 -0.005 0.000 1.124 57 Y HN 0.135 nan 8.280 nan 0.000 0.507 58 E N 1.452 121.719 120.200 0.112 0.000 2.637 58 E HA 0.063 4.413 4.350 -0.000 0.000 0.231 58 E C 1.061 177.695 176.600 0.056 0.000 1.226 58 E CA 0.999 57.438 56.400 0.066 0.000 0.950 58 E CB -0.697 29.022 29.700 0.032 0.000 1.049 58 E HN 0.716 nan 8.360 nan 0.000 0.494 59 G N 4.201 113.033 108.800 0.054 0.000 2.780 59 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.237 59 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.237 59 G C -0.754 174.156 174.900 0.017 0.000 1.965 59 G CA -0.236 44.882 45.100 0.030 0.000 1.577 59 G HN 0.678 nan 8.290 nan 0.000 0.543 60 D N 1.822 122.229 120.400 0.012 0.000 2.198 60 D HA 0.587 5.227 4.640 -0.000 0.000 0.245 60 D C 0.726 176.995 176.300 -0.052 0.000 1.079 60 D CA 0.079 54.065 54.000 -0.024 0.000 0.854 60 D CB 1.168 41.949 40.800 -0.032 0.000 1.148 60 D HN 1.044 nan 8.370 nan 0.000 0.456 61 G N 1.588 110.297 108.800 -0.151 0.000 3.993 61 G HA2 0.132 4.092 3.960 -0.000 0.000 0.294 61 G HA3 0.132 4.092 3.960 -0.000 0.000 0.294 61 G C -0.230 174.481 174.900 -0.315 0.000 1.043 61 G CA -0.593 44.276 45.100 -0.386 0.000 0.839 61 G HN 0.487 nan 8.290 nan 0.000 0.516 62 E N 1.494 121.591 120.200 -0.172 0.000 2.255 62 E HA 0.287 4.637 4.350 -0.000 0.000 0.245 62 E C -0.190 176.353 176.600 -0.096 0.000 0.909 62 E CA -0.436 55.887 56.400 -0.128 0.000 0.747 62 E CB 1.754 31.396 29.700 -0.097 0.000 1.215 62 E HN 0.201 nan 8.360 nan 0.000 0.424 63 L N 3.481 124.656 121.223 -0.081 0.000 2.461 63 L HA 0.401 4.741 4.340 -0.000 0.000 0.272 63 L C 0.599 177.431 176.870 -0.062 0.000 1.197 63 L CA 0.182 54.990 54.840 -0.052 0.000 0.836 63 L CB 0.050 42.099 42.059 -0.017 0.000 1.105 63 L HN 0.510 nan 8.230 nan 0.000 0.477 64 R N 1.025 121.482 120.500 -0.071 0.000 2.709 64 R HA 0.686 5.026 4.340 -0.000 0.000 0.270 64 R C -1.910 174.333 176.300 -0.095 0.000 1.038 64 R CA -0.958 55.091 56.100 -0.084 0.000 0.872 64 R CB 1.694 31.930 30.300 -0.106 0.000 1.259 64 R HN 0.272 nan 8.270 nan 0.000 0.473 65 V N 1.505 121.366 119.914 -0.088 0.000 2.540 65 V HA 0.622 4.742 4.120 -0.000 0.000 0.302 65 V C -0.966 175.082 176.094 -0.076 0.000 1.035 65 V CA -0.738 61.512 62.300 -0.083 0.000 0.873 65 V CB 1.769 33.551 31.823 -0.067 0.000 0.992 65 V HN 0.730 nan 8.190 nan 0.000 0.428 66 R N 4.985 125.425 120.500 -0.099 0.000 2.445 66 R HA 0.754 5.094 4.340 -0.000 0.000 0.308 66 R C -1.326 175.029 176.300 0.091 0.000 0.961 66 R CA -0.655 55.405 56.100 -0.066 0.000 0.862 66 R CB 2.215 32.262 30.300 -0.422 0.000 1.144 66 R HN 0.568 nan 8.270 nan 0.000 0.447 67 V N 1.712 121.759 119.914 0.221 0.000 2.667 67 V HA 0.631 4.751 4.120 -0.000 0.000 0.308 67 V C -0.164 176.123 176.094 0.322 0.000 1.048 67 V CA -0.508 61.935 62.300 0.239 0.000 0.928 67 V CB 1.875 33.816 31.823 0.196 0.000 1.004 67 V HN 1.071 nan 8.190 nan 0.000 0.444 68 S N 2.520 118.395 115.700 0.291 0.000 2.595 68 S HA 0.834 5.304 4.470 -0.000 0.000 0.270 68 S C -1.273 173.479 174.600 0.252 0.000 1.145 68 S CA -0.901 57.388 58.200 0.149 0.000 0.825 68 S CB 1.735 65.015 63.200 0.133 0.000 1.107 68 S HN 1.067 nan 8.310 nan 0.000 0.461 69 F N -0.684 119.314 119.950 0.080 0.000 2.596 69 F HA 0.671 5.198 4.527 -0.000 0.000 0.311 69 F C -1.032 174.799 175.800 0.052 0.000 1.116 69 F CA -0.892 57.153 58.000 0.075 0.000 0.957 69 F CB 1.340 40.392 39.000 0.087 0.000 1.250 69 F HN 0.589 nan 8.300 nan 0.000 0.444 70 D N 3.649 124.180 120.400 0.218 0.000 2.468 70 D HA 0.074 4.713 4.640 -0.000 0.000 0.218 70 D C 0.885 177.287 176.300 0.170 0.000 1.155 70 D CA -0.012 54.067 54.000 0.132 0.000 0.924 70 D CB 1.111 41.971 40.800 0.099 0.000 1.029 70 D HN 0.884 nan 8.370 nan 0.000 0.515 71 K N 2.483 123.011 120.400 0.214 0.000 2.286 71 K HA -0.159 4.161 4.320 -0.000 0.000 0.203 71 K C 0.733 177.395 176.600 0.104 0.000 1.045 71 K CA 1.174 57.575 56.287 0.190 0.000 0.935 71 K CB 0.387 33.007 32.500 0.200 0.000 0.737 71 K HN 0.335 nan 8.250 nan 0.000 0.460 72 D N -0.075 120.375 120.400 0.084 0.000 2.216 72 D HA -0.023 4.617 4.640 -0.000 0.000 0.208 72 D C 1.122 177.455 176.300 0.054 0.000 0.960 72 D CA 0.896 54.933 54.000 0.061 0.000 0.861 72 D CB 0.301 41.133 40.800 0.052 0.000 0.985 72 D HN 0.177 nan 8.370 nan 0.000 0.493 73 K N 0.444 120.879 120.400 0.058 0.000 2.404 73 K HA 0.178 4.498 4.320 -0.000 0.000 0.194 73 K C -0.073 176.512 176.600 -0.024 0.000 1.023 73 K CA -0.103 56.214 56.287 0.051 0.000 1.094 73 K CB 0.709 33.257 32.500 0.079 0.000 0.841 73 K HN -0.034 nan 8.250 nan 0.000 0.523 74 R N 1.121 121.612 120.500 -0.016 0.000 3.423 74 R HA -0.133 4.207 4.340 -0.000 0.000 0.271 74 R C -0.323 175.914 176.300 -0.106 0.000 1.093 74 R CA 0.981 57.034 56.100 -0.078 0.000 0.730 74 R CB -2.738 27.442 30.300 -0.199 0.000 1.190 74 R HN 0.388 nan 8.270 nan 0.000 0.437 75 T N -2.446 112.123 114.554 0.024 0.000 2.924 75 T HA 0.742 5.092 4.350 -0.000 0.000 0.291 75 T C -0.522 174.277 174.700 0.164 0.000 1.045 75 T CA -1.098 61.041 62.100 0.066 0.000 1.015 75 T CB 2.403 71.330 68.868 0.098 0.000 1.103 75 T HN 0.128 nan 8.240 nan 0.000 0.496 76 L N 1.239 122.558 121.223 0.159 0.000 2.408 76 L HA 0.771 5.111 4.340 -0.000 0.000 0.268 76 L C -0.821 176.158 176.870 0.183 0.000 0.986 76 L CA -0.076 54.898 54.840 0.224 0.000 0.820 76 L CB 2.329 44.520 42.059 0.219 0.000 1.303 76 L HN 0.994 nan 8.230 nan 0.000 0.411 77 T N 6.049 120.721 114.554 0.197 0.000 2.848 77 T HA 0.641 4.991 4.350 -0.000 0.000 0.285 77 T C -0.512 174.271 174.700 0.139 0.000 0.995 77 T CA -0.150 62.043 62.100 0.155 0.000 0.970 77 T CB 1.065 70.026 68.868 0.155 0.000 0.976 77 T HN 0.428 nan 8.240 nan 0.000 0.441 78 I N 3.489 124.116 120.570 0.095 0.000 2.410 78 I HA 0.438 4.608 4.170 -0.000 0.000 0.286 78 I C -0.089 176.044 176.117 0.026 0.000 1.009 78 I CA -0.670 60.665 61.300 0.058 0.000 1.111 78 I CB 1.565 39.585 38.000 0.034 0.000 1.262 78 I HN 0.662 nan 8.210 nan 0.000 0.443 79 S N 3.151 118.848 115.700 -0.005 0.000 2.707 79 S HA 0.611 5.080 4.470 -0.000 0.000 0.303 79 S C -0.957 173.596 174.600 -0.079 0.000 1.132 79 S CA -0.947 57.231 58.200 -0.037 0.000 1.046 79 S CB 1.668 64.844 63.200 -0.038 0.000 1.004 79 S HN 0.647 nan 8.310 nan 0.000 0.483 80 D N 0.865 121.226 120.400 -0.065 0.000 2.494 80 D HA 0.515 5.155 4.640 -0.000 0.000 0.259 80 D C -0.275 175.988 176.300 -0.063 0.000 1.109 80 D CA -0.838 53.119 54.000 -0.072 0.000 1.040 80 D CB 0.585 41.348 40.800 -0.062 0.000 1.175 80 D HN 0.444 nan 8.370 nan 0.000 0.584 81 N N -0.590 118.078 118.700 -0.054 0.000 2.723 81 N HA 0.304 5.044 4.740 -0.000 0.000 0.290 81 N C -0.361 175.146 175.510 -0.004 0.000 1.882 81 N CA -0.764 52.267 53.050 -0.033 0.000 0.851 81 N CB 0.903 39.365 38.487 -0.042 0.000 1.234 81 N HN 0.531 nan 8.380 nan 0.000 0.491 82 G N -0.457 108.338 108.800 -0.009 0.000 2.828 82 G HA2 0.402 4.362 3.960 -0.000 0.000 0.244 82 G HA3 0.402 4.362 3.960 -0.000 0.000 0.244 82 G C 1.188 176.092 174.900 0.006 0.000 1.365 82 G CA -0.226 44.879 45.100 0.009 0.000 1.041 82 G HN 0.179 nan 8.290 nan 0.000 0.560 83 V N -1.227 118.690 119.914 0.005 0.000 2.357 83 V HA 0.117 4.237 4.120 -0.000 0.000 0.257 83 V C 1.792 177.875 176.094 -0.019 0.000 1.082 83 V CA 1.540 63.837 62.300 -0.006 0.000 1.078 83 V CB -2.006 29.812 31.823 -0.008 0.000 0.663 83 V HN 2.410 nan 8.190 nan 0.000 0.455 84 G N -0.491 108.288 108.800 -0.034 0.000 2.877 84 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.279 84 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.279 84 G C -0.666 174.209 174.900 -0.041 0.000 1.431 84 G CA 0.241 45.319 45.100 -0.037 0.000 0.883 84 G HN 0.660 nan 8.290 nan 0.000 0.547 85 M N -0.512 119.066 119.600 -0.037 0.000 2.761 85 M HA 0.591 5.071 4.480 -0.000 0.000 0.305 85 M C 0.349 176.649 176.300 0.001 0.000 1.235 85 M CA -0.729 54.555 55.300 -0.026 0.000 0.850 85 M CB 2.499 35.066 32.600 -0.055 0.000 1.744 85 M HN 0.603 nan 8.290 nan 0.000 0.480 86 T N -0.084 114.477 114.554 0.012 0.000 2.929 86 T HA 0.306 4.656 4.350 -0.000 0.000 0.284 86 T C 0.782 175.500 174.700 0.030 0.000 1.014 86 T CA -0.519 61.593 62.100 0.021 0.000 1.051 86 T CB 1.724 70.603 68.868 0.018 0.000 1.028 86 T HN 0.696 nan 8.240 nan 0.000 0.485 87 R N 1.493 122.020 120.500 0.044 0.000 2.096 87 R HA -0.144 4.196 4.340 -0.000 0.000 0.240 87 R C 1.404 177.736 176.300 0.053 0.000 1.139 87 R CA 2.215 58.354 56.100 0.064 0.000 0.952 87 R CB -0.214 30.130 30.300 0.073 0.000 0.854 87 R HN 0.590 nan 8.270 nan 0.000 0.436 88 D N 0.169 120.589 120.400 0.033 0.000 2.178 88 D HA -0.154 4.486 4.640 -0.000 0.000 0.201 88 D C 1.661 177.950 176.300 -0.019 0.000 0.980 88 D CA 1.366 55.375 54.000 0.015 0.000 0.842 88 D CB -0.067 40.736 40.800 0.006 0.000 0.948 88 D HN 0.535 nan 8.370 nan 0.000 0.472 89 E N 0.439 120.631 120.200 -0.013 0.000 2.072 89 E HA -0.084 4.266 4.350 -0.000 0.000 0.190 89 E C 2.399 178.974 176.600 -0.041 0.000 0.982 89 E CA 0.352 56.736 56.400 -0.027 0.000 0.803 89 E CB 0.075 29.821 29.700 0.076 0.000 0.755 89 E HN 0.047 nan 8.360 nan 0.000 0.453 90 V N 2.081 121.982 119.914 -0.022 0.000 2.282 90 V HA -0.286 3.834 4.120 -0.000 0.000 0.249 90 V C 2.259 178.303 176.094 -0.083 0.000 1.057 90 V CA 1.702 63.957 62.300 -0.076 0.000 1.032 90 V CB -0.434 31.395 31.823 0.009 0.000 0.645 90 V HN 0.296 nan 8.190 nan 0.000 0.447 91 I N -0.416 120.163 120.570 0.016 0.000 2.546 91 I HA -0.152 4.018 4.170 -0.000 0.000 0.255 91 I C 2.110 178.223 176.117 -0.007 0.000 1.163 91 I CA 1.141 62.487 61.300 0.077 0.000 1.457 91 I CB -0.510 37.581 38.000 0.151 0.000 1.092 91 I HN 0.375 nan 8.210 nan 0.000 0.434 92 D N 0.196 120.519 120.400 -0.129 0.000 2.106 92 D HA -0.123 4.517 4.640 -0.000 0.000 0.203 92 D C 2.130 178.267 176.300 -0.271 0.000 0.977 92 D CA 1.315 55.174 54.000 -0.235 0.000 0.844 92 D CB -0.319 40.227 40.800 -0.423 0.000 1.002 92 D HN 0.374 nan 8.370 nan 0.000 0.461 93 H N 0.714 119.697 119.070 -0.145 0.000 2.284 93 H HA 0.050 4.606 4.556 -0.000 0.000 0.304 93 H C 2.586 177.705 175.328 -0.348 0.000 1.069 93 H CA 0.613 56.522 56.048 -0.233 0.000 1.327 93 H CB -0.454 29.136 29.762 -0.286 0.000 1.387 93 H HN 0.082 nan 8.280 nan 0.000 0.498 94 L N -0.051 120.934 121.223 -0.397 0.000 2.044 94 L HA -0.020 4.320 4.340 -0.000 0.000 0.205 94 L C 2.854 179.555 176.870 -0.282 0.000 1.075 94 L CA 1.021 55.420 54.840 -0.735 0.000 0.747 94 L CB -0.826 40.407 42.059 -1.377 0.000 0.903 94 L HN 0.306 nan 8.230 nan 0.000 0.435 95 G N -0.959 107.724 108.800 -0.195 0.000 2.450 95 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.220 95 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.220 95 G C 0.918 175.994 174.900 0.294 0.000 1.130 95 G CA 1.413 46.496 45.100 -0.028 0.000 0.760 95 G HN 0.364 nan 8.290 nan 0.000 0.557 96 T N -1.304 113.356 114.554 0.176 0.000 2.548 96 T HA 0.611 4.961 4.350 -0.000 0.000 0.214 96 T C -0.754 174.047 174.700 0.168 0.000 0.873 96 T CA -0.353 61.864 62.100 0.195 0.000 1.180 96 T CB 1.363 70.303 68.868 0.120 0.000 1.960 96 T HN 0.169 nan 8.240 nan 0.000 0.505 97 I N 0.183 120.821 120.570 0.114 0.000 2.693 97 I HA 0.401 4.570 4.170 -0.000 0.000 0.271 97 I C 0.676 176.842 176.117 0.082 0.000 1.408 97 I CA -0.497 60.865 61.300 0.104 0.000 1.179 97 I CB 0.418 38.505 38.000 0.145 0.000 1.497 97 I HN 0.661 nan 8.210 nan 0.000 0.434 98 A N 6.467 129.326 122.820 0.064 0.000 1.997 98 A HA -0.173 4.147 4.320 -0.000 0.000 0.221 98 A C 1.561 179.196 177.584 0.086 0.000 1.172 98 A CA 1.587 53.662 52.037 0.062 0.000 0.645 98 A CB -0.132 18.899 19.000 0.053 0.000 0.813 98 A HN 0.736 nan 8.150 nan 0.000 0.454 99 K N -1.034 119.429 120.400 0.105 0.000 2.948 99 K HA 0.366 4.686 4.320 -0.000 0.000 0.323 99 K C 0.370 177.074 176.600 0.173 0.000 1.015 99 K CA 0.359 56.738 56.287 0.153 0.000 1.117 99 K CB 0.189 32.801 32.500 0.187 0.000 1.264 99 K HN 0.300 nan 8.250 nan 0.000 0.486 100 S N -2.574 113.270 115.700 0.241 0.000 2.685 100 S HA 0.672 5.142 4.470 -0.000 0.000 0.282 100 S C -1.050 173.709 174.600 0.265 0.000 1.159 100 S CA -0.098 58.281 58.200 0.299 0.000 0.833 100 S CB 1.965 65.409 63.200 0.407 0.000 1.151 100 S HN 0.719 nan 8.310 nan 0.000 0.485 101 G N 0.803 109.698 108.800 0.157 0.000 4.154 101 G HA2 0.163 4.123 3.960 -0.000 0.000 0.228 101 G HA3 0.163 4.123 3.960 -0.000 0.000 0.228 101 G C 0.074 174.822 174.900 -0.253 0.000 2.157 101 G CA 0.337 45.174 45.100 -0.438 0.000 1.088 101 G HN 0.633 nan 8.290 nan 0.000 0.506 102 T N -0.397 114.192 114.554 0.059 0.000 3.085 102 T HA 0.120 4.470 4.350 -0.000 0.000 0.241 102 T C 2.036 176.874 174.700 0.229 0.000 0.988 102 T CA 0.818 63.000 62.100 0.136 0.000 1.117 102 T CB 0.196 69.149 68.868 0.141 0.000 0.978 102 T HN 0.248 nan 8.240 nan 0.000 0.454 103 K N 1.189 121.822 120.400 0.388 0.000 2.360 103 K HA 0.001 4.321 4.320 -0.000 0.000 0.201 103 K C 2.117 178.933 176.600 0.359 0.000 1.046 103 K CA 1.070 57.578 56.287 0.368 0.000 0.940 103 K CB -0.023 32.702 32.500 0.375 0.000 0.748 103 K HN 0.179 nan 8.250 nan 0.000 0.465 104 S N -0.613 115.270 115.700 0.305 0.000 2.527 104 S HA 0.007 4.477 4.470 -0.000 0.000 0.227 104 S C 1.285 175.827 174.600 -0.096 0.000 1.059 104 S CA -0.240 58.012 58.200 0.086 0.000 0.919 104 S CB -0.320 62.793 63.200 -0.146 0.000 0.805 104 S HN 0.440 nan 8.310 nan 0.000 0.500 105 F N 3.358 123.163 119.950 -0.241 0.000 2.063 105 F HA -0.100 4.427 4.527 -0.000 0.000 0.297 105 F C 0.671 176.399 175.800 -0.120 0.000 1.099 105 F CA 1.553 59.430 58.000 -0.205 0.000 1.220 105 F CB -0.677 38.218 39.000 -0.174 0.000 0.972 105 F HN 0.154 nan 8.300 nan 0.000 0.487 106 L N 1.520 122.407 121.223 -0.561 0.000 2.544 106 L HA 0.188 4.528 4.340 -0.000 0.000 0.240 106 L C -0.295 176.385 176.870 -0.317 0.000 1.421 106 L CA 0.352 54.843 54.840 -0.582 0.000 1.206 106 L CB -1.030 40.875 42.059 -0.257 0.000 1.463 106 L HN 0.303 nan 8.230 nan 0.000 0.437 107 E N -0.882 119.123 120.200 -0.324 0.000 2.415 107 E HA 0.537 4.887 4.350 -0.000 0.000 0.271 107 E C -0.557 175.939 176.600 -0.173 0.000 1.094 107 E CA -0.371 55.919 56.400 -0.183 0.000 0.881 107 E CB 1.602 31.241 29.700 -0.101 0.000 1.581 107 E HN 0.245 nan 8.360 nan 0.000 0.460 118 Q N 2.741 122.592 119.800 0.085 0.000 2.673 118 Q HA 0.385 4.725 4.340 -0.000 0.000 0.224 118 Q C -0.525 175.526 176.000 0.085 0.000 1.226 118 Q CA -0.245 55.618 55.803 0.100 0.000 1.019 118 Q CB 0.458 29.277 28.738 0.135 0.000 1.312 118 Q HN 0.667 nan 8.270 nan 0.000 0.566 119 L N 2.814 124.072 121.223 0.059 0.000 2.369 119 L HA 0.184 4.524 4.340 -0.000 0.000 0.279 119 L C 0.713 177.593 176.870 0.017 0.000 1.108 119 L CA 0.275 55.136 54.840 0.036 0.000 0.852 119 L CB 0.167 42.238 42.059 0.021 0.000 1.169 119 L HN 0.596 nan 8.230 nan 0.000 0.452 120 I N 1.056 121.641 120.570 0.025 0.000 3.739 120 I HA 0.235 4.405 4.170 -0.000 0.000 0.272 120 I C 1.765 177.871 176.117 -0.018 0.000 1.167 120 I CA 0.710 62.010 61.300 0.001 0.000 1.386 120 I CB -0.016 38.039 38.000 0.091 0.000 1.490 120 I HN 0.839 nan 8.210 nan 0.000 0.452 121 G N 1.156 109.960 108.800 0.007 0.000 4.766 121 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.314 121 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.314 121 G C 0.236 175.124 174.900 -0.019 0.000 1.427 121 G CA 0.221 45.306 45.100 -0.026 0.000 1.024 121 G HN 0.429 nan 8.290 nan 0.000 0.754 122 Q N 0.262 120.003 119.800 -0.099 0.000 2.759 122 Q HA 0.482 4.822 4.340 -0.000 0.000 0.225 122 Q C -0.017 175.754 176.000 -0.380 0.000 0.823 122 Q CA -0.335 55.366 55.803 -0.171 0.000 0.828 122 Q CB 1.250 29.815 28.738 -0.289 0.000 1.425 122 Q HN 1.399 nan 8.270 nan 0.000 0.449 123 F N -0.181 119.793 119.950 0.039 0.000 1.963 123 F HA -0.201 4.326 4.527 -0.000 0.000 0.300 123 F C 0.756 176.533 175.800 -0.040 0.000 0.648 123 F CA 0.771 58.776 58.000 0.009 0.000 0.878 123 F CB -0.146 38.935 39.000 0.136 0.000 0.798 123 F HN 0.483 nan 8.300 nan 0.000 0.600 124 G N 2.063 110.929 108.800 0.109 0.000 2.928 124 G HA2 0.553 4.513 3.960 -0.000 0.000 0.163 124 G HA3 0.553 4.513 3.960 -0.000 0.000 0.163 124 G C -0.787 174.243 174.900 0.218 0.000 1.573 124 G CA -0.168 44.964 45.100 0.054 0.000 1.084 124 G HN 1.004 nan 8.290 nan 0.000 0.569 125 V N -0.219 119.790 119.914 0.159 0.000 2.686 125 V HA 0.545 4.665 4.120 -0.000 0.000 0.306 125 V C 1.452 177.600 176.094 0.090 0.000 1.065 125 V CA -0.264 62.136 62.300 0.167 0.000 0.894 125 V CB 0.701 32.630 31.823 0.178 0.000 1.004 125 V HN 1.063 nan 8.190 nan 0.000 0.424 126 G N 2.883 111.706 108.800 0.037 0.000 3.026 126 G HA2 -0.398 3.562 3.960 -0.000 0.000 0.247 126 G HA3 -0.398 3.562 3.960 -0.000 0.000 0.247 126 G C 1.138 176.004 174.900 -0.057 0.000 1.106 126 G CA 2.148 47.237 45.100 -0.018 0.000 0.754 126 G HN 0.848 nan 8.290 nan 0.000 0.899 127 F N 0.515 120.287 119.950 -0.295 0.000 2.087 127 F HA -0.174 4.353 4.527 -0.000 0.000 0.299 127 F C 2.539 178.075 175.800 -0.441 0.000 1.100 127 F CA 2.077 59.818 58.000 -0.432 0.000 1.226 127 F CB -0.434 38.180 39.000 -0.644 0.000 0.983 127 F HN 0.252 nan 8.300 nan 0.000 0.479 128 Y N -0.168 119.998 120.300 -0.224 0.000 2.639 128 Y HA -0.083 4.467 4.550 -0.000 0.000 0.297 128 Y C 2.780 178.505 175.900 -0.292 0.000 1.151 128 Y CA 0.875 58.787 58.100 -0.313 0.000 1.335 128 Y CB -1.445 37.020 38.460 0.009 0.000 0.994 128 Y HN 0.178 nan 8.280 nan 0.000 0.548 129 S N 0.366 115.988 115.700 -0.129 0.000 2.392 129 S HA -0.315 4.155 4.470 -0.000 0.000 0.232 129 S C 2.451 176.947 174.600 -0.174 0.000 1.041 129 S CA 1.235 59.388 58.200 -0.078 0.000 1.026 129 S CB -0.445 62.731 63.200 -0.040 0.000 0.845 129 S HN 0.527 nan 8.310 nan 0.000 0.465 130 A N 0.298 122.885 122.820 -0.388 0.000 1.997 130 A HA -0.096 4.224 4.320 -0.000 0.000 0.221 130 A C 1.829 179.107 177.584 -0.510 0.000 1.172 130 A CA 1.732 53.444 52.037 -0.543 0.000 0.645 130 A CB -1.128 17.397 19.000 -0.792 0.000 0.813 130 A HN 0.720 nan 8.150 nan 0.000 0.454 131 F N -0.534 119.312 119.950 -0.173 0.000 2.771 131 F HA 0.069 4.596 4.527 -0.000 0.000 0.299 131 F C 1.776 177.505 175.800 -0.118 0.000 1.177 131 F CA 0.104 58.040 58.000 -0.107 0.000 1.450 131 F CB -0.188 38.802 39.000 -0.016 0.000 1.114 131 F HN 0.164 nan 8.300 nan 0.000 0.587 132 I N -1.059 119.492 120.570 -0.032 0.000 2.546 132 I HA -0.170 4.000 4.170 -0.000 0.000 0.255 132 I C 1.650 177.689 176.117 -0.130 0.000 1.163 132 I CA 0.777 62.054 61.300 -0.039 0.000 1.457 132 I CB -0.093 37.864 38.000 -0.072 0.000 1.092 132 I HN -0.008 nan 8.210 nan 0.000 0.434 133 V N -0.170 119.527 119.914 -0.363 0.000 3.572 133 V HA 0.347 4.467 4.120 -0.000 0.000 0.260 133 V C 0.682 176.587 176.094 -0.315 0.000 1.324 133 V CA 0.209 62.216 62.300 -0.487 0.000 1.068 133 V CB 0.595 31.695 31.823 -1.206 0.000 0.837 133 V HN 0.258 nan 8.190 nan 0.000 0.450 134 A N 1.005 123.689 122.820 -0.227 0.000 2.337 134 A HA 0.586 4.906 4.320 -0.000 0.000 0.329 134 A C 0.263 177.947 177.584 0.168 0.000 1.146 134 A CA -0.051 51.966 52.037 -0.033 0.000 0.800 134 A CB 0.930 19.887 19.000 -0.071 0.000 1.220 134 A HN 0.362 nan 8.150 nan 0.000 0.472 135 D N 0.592 121.104 120.400 0.186 0.000 2.349 135 D HA 0.132 4.772 4.640 -0.000 0.000 0.214 135 D C 0.205 176.599 176.300 0.157 0.000 1.063 135 D CA 0.397 54.489 54.000 0.153 0.000 0.847 135 D CB 0.218 41.078 40.800 0.100 0.000 0.933 135 D HN 0.394 nan 8.370 nan 0.000 0.513 136 K N 0.376 120.919 120.400 0.237 0.000 2.589 136 K HA 0.408 4.728 4.320 -0.000 0.000 0.253 136 K C -2.077 174.688 176.600 0.275 0.000 0.974 136 K CA -0.636 55.788 56.287 0.228 0.000 0.835 136 K CB 2.239 34.779 32.500 0.067 0.000 1.272 136 K HN -0.133 nan 8.250 nan 0.000 0.444 137 V N 2.557 122.688 119.914 0.361 0.000 2.628 137 V HA 0.546 4.666 4.120 -0.000 0.000 0.306 137 V C -0.436 175.817 176.094 0.265 0.000 1.045 137 V CA -0.495 61.955 62.300 0.250 0.000 0.905 137 V CB 2.073 33.969 31.823 0.121 0.000 0.997 137 V HN 0.828 nan 8.190 nan 0.000 0.436 138 T N 3.528 118.193 114.554 0.186 0.000 2.861 138 T HA 0.678 5.028 4.350 -0.000 0.000 0.287 138 T C -0.895 173.865 174.700 0.099 0.000 1.003 138 T CA -0.349 61.801 62.100 0.085 0.000 0.977 138 T CB 1.781 70.692 68.868 0.071 0.000 0.996 138 T HN 0.367 nan 8.240 nan 0.000 0.448 139 V N 3.859 123.796 119.914 0.038 0.000 2.735 139 V HA 0.631 4.751 4.120 -0.000 0.000 0.310 139 V C -0.488 175.613 176.094 0.011 0.000 1.061 139 V CA -0.989 61.346 62.300 0.058 0.000 0.913 139 V CB 2.190 34.056 31.823 0.070 0.000 1.005 139 V HN 0.747 nan 8.190 nan 0.000 0.428 140 R N 1.724 122.269 120.500 0.076 0.000 2.521 140 R HA 0.554 4.894 4.340 -0.000 0.000 0.295 140 R C -0.817 175.534 176.300 0.086 0.000 1.183 140 R CA -0.302 55.882 56.100 0.139 0.000 0.957 140 R CB 1.968 32.385 30.300 0.194 0.000 1.171 140 R HN 0.738 nan 8.270 nan 0.000 0.494 141 T N 1.288 115.885 114.554 0.072 0.000 2.856 141 T HA 0.419 4.769 4.350 -0.000 0.000 0.283 141 T C -0.879 173.847 174.700 0.042 0.000 1.008 141 T CA -0.731 61.389 62.100 0.033 0.000 0.997 141 T CB 1.128 69.991 68.868 -0.009 0.000 0.992 141 T HN 0.324 nan 8.240 nan 0.000 0.454 142 R N 3.333 123.849 120.500 0.027 0.000 2.422 142 R HA 0.590 4.930 4.340 -0.000 0.000 0.307 142 R C -0.118 176.189 176.300 0.012 0.000 1.004 142 R CA -0.455 55.661 56.100 0.027 0.000 0.882 142 R CB 0.855 31.173 30.300 0.029 0.000 1.164 142 R HN 0.892 nan 8.270 nan 0.000 0.489 143 A N 2.983 125.809 122.820 0.010 0.000 2.583 143 A HA 0.311 4.631 4.320 -0.000 0.000 0.231 143 A C 0.280 177.863 177.584 -0.002 0.000 1.065 143 A CA 0.512 52.550 52.037 0.000 0.000 0.760 143 A CB 0.118 19.119 19.000 0.002 0.000 1.001 143 A HN 0.842 nan 8.150 nan 0.000 0.509 144 A N 0.860 123.674 122.820 -0.010 0.000 2.477 144 A HA 0.520 4.840 4.320 -0.000 0.000 0.246 144 A C 1.768 179.338 177.584 -0.024 0.000 1.078 144 A CA 0.797 52.824 52.037 -0.016 0.000 0.770 144 A CB -0.620 18.363 19.000 -0.028 0.000 1.011 144 A HN 2.796 nan 8.150 nan 0.000 0.494 145 G N 1.403 110.189 108.800 -0.022 0.000 2.550 145 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.233 145 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.233 145 G C 0.455 175.347 174.900 -0.014 0.000 1.170 145 G CA 0.674 45.759 45.100 -0.025 0.000 0.693 145 G HN 0.892 nan 8.290 nan 0.000 0.512 146 E N 0.938 121.132 120.200 -0.009 0.000 2.563 146 E HA 0.315 4.665 4.350 -0.000 0.000 0.260 146 E C 0.328 176.931 176.600 0.004 0.000 1.391 146 E CA 0.107 56.506 56.400 -0.002 0.000 1.079 146 E CB 0.253 29.955 29.700 0.003 0.000 0.984 146 E HN 0.372 nan 8.360 nan 0.000 0.563 147 K N 1.749 122.153 120.400 0.008 0.000 2.234 147 K HA 0.109 4.429 4.320 -0.000 0.000 0.282 147 K C -1.733 174.877 176.600 0.016 0.000 1.039 147 K CA -1.540 54.754 56.287 0.011 0.000 0.928 147 K CB 0.966 33.472 32.500 0.010 0.000 1.039 147 K HN 0.287 nan 8.250 nan 0.000 0.470 148 P HA -0.157 nan 4.420 nan 0.000 0.234 148 P C -0.400 176.914 177.300 0.024 0.000 1.162 148 P CA 1.204 64.317 63.100 0.021 0.000 0.759 148 P CB 0.245 31.956 31.700 0.018 0.000 0.813 149 E N -0.999 119.215 120.200 0.022 0.000 2.489 149 E HA 0.103 4.453 4.350 -0.000 0.000 0.204 149 E C 0.711 177.328 176.600 0.029 0.000 1.006 149 E CA -0.134 56.279 56.400 0.023 0.000 0.936 149 E CB 0.007 29.717 29.700 0.017 0.000 1.002 149 E HN 0.171 nan 8.360 nan 0.000 0.488 150 N N 1.228 119.947 118.700 0.032 0.000 2.328 150 N HA 0.091 4.831 4.740 -0.000 0.000 0.247 150 N C 0.034 175.574 175.510 0.051 0.000 1.165 150 N CA 0.040 53.114 53.050 0.039 0.000 0.873 150 N CB 1.051 39.556 38.487 0.030 0.000 1.125 150 N HN 0.054 nan 8.380 nan 0.000 0.513 151 G N 0.165 108.999 108.800 0.058 0.000 2.544 151 G HA2 0.334 4.294 3.960 -0.000 0.000 0.242 151 G HA3 0.334 4.294 3.960 -0.000 0.000 0.242 151 G C 0.408 175.372 174.900 0.108 0.000 1.247 151 G CA -0.048 45.097 45.100 0.075 0.000 0.840 151 G HN -0.032 nan 8.290 nan 0.000 0.578 152 V N 0.465 120.456 119.914 0.129 0.000 3.267 152 V HA 0.779 4.899 4.120 -0.000 0.000 0.317 152 V C -0.573 175.696 176.094 0.291 0.000 1.131 152 V CA -0.648 61.761 62.300 0.181 0.000 1.031 152 V CB 1.778 33.689 31.823 0.145 0.000 1.159 152 V HN 0.682 nan 8.190 nan 0.000 0.454 153 F N 0.605 120.646 119.950 0.151 0.000 2.615 153 F HA 0.597 5.124 4.527 -0.000 0.000 0.312 153 F C -1.999 173.968 175.800 0.279 0.000 1.119 153 F CA -0.792 57.316 58.000 0.180 0.000 0.979 153 F CB 1.750 40.822 39.000 0.120 0.000 1.266 153 F HN 0.572 nan 8.300 nan 0.000 0.444 154 W N 7.749 128.700 121.300 -0.582 0.000 2.756 154 W HA 0.538 5.198 4.660 0.000 0.000 0.333 154 W C -1.720 174.526 176.519 -0.455 0.000 1.025 154 W CA -0.385 56.784 57.345 -0.295 0.000 1.246 154 W CB 1.428 30.811 29.460 -0.130 0.000 1.358 154 W HN 0.711 nan 8.180 nan 0.000 0.444 155 E N 3.901 123.714 120.200 -0.644 0.000 2.312 155 E HA 0.752 5.102 4.350 -0.000 0.000 0.267 155 E C -1.489 174.770 176.600 -0.568 0.000 0.894 155 E CA -0.801 55.341 56.400 -0.430 0.000 0.773 155 E CB 2.230 31.874 29.700 -0.093 0.000 1.241 155 E HN 0.169 nan 8.360 nan 0.000 0.432 156 S N 1.917 117.467 115.700 -0.251 0.000 2.582 156 S HA 0.453 4.923 4.470 -0.000 0.000 0.296 156 S C -0.561 174.077 174.600 0.064 0.000 1.118 156 S CA 0.089 58.203 58.200 -0.144 0.000 0.947 156 S CB 0.952 64.056 63.200 -0.160 0.000 1.131 156 S HN 0.742 nan 8.310 nan 0.000 0.453 157 A N 2.743 125.533 122.820 -0.050 0.000 2.235 157 A HA 0.496 4.816 4.320 -0.000 0.000 0.208 157 A C 1.820 179.231 177.584 -0.288 0.000 1.172 157 A CA 0.879 52.869 52.037 -0.079 0.000 0.786 157 A CB -1.282 17.666 19.000 -0.085 0.000 0.804 157 A HN 2.319 nan 8.150 nan 0.000 0.479 158 G N -0.378 108.175 108.800 -0.412 0.000 2.205 158 G HA2 -0.380 3.580 3.960 -0.000 0.000 0.269 158 G HA3 -0.380 3.580 3.960 -0.000 0.000 0.269 158 G C 0.743 175.456 174.900 -0.311 0.000 0.977 158 G CA 1.048 45.676 45.100 -0.787 0.000 0.652 158 G HN 0.645 nan 8.290 nan 0.000 0.539 159 E N -0.821 119.278 120.200 -0.168 0.000 2.047 159 E HA 0.210 4.560 4.350 -0.000 0.000 0.191 159 E C 2.335 178.923 176.600 -0.020 0.000 0.987 159 E CA 1.223 57.559 56.400 -0.107 0.000 0.799 159 E CB -0.092 29.546 29.700 -0.103 0.000 0.752 159 E HN 0.795 nan 8.360 nan 0.000 0.449 160 G N -0.077 108.737 108.800 0.022 0.000 3.812 160 G HA2 -0.010 3.950 3.960 -0.000 0.000 0.149 160 G HA3 -0.010 3.950 3.960 -0.000 0.000 0.149 160 G C -0.182 174.624 174.900 -0.156 0.000 1.225 160 G CA -0.328 44.821 45.100 0.081 0.000 0.812 160 G HN 0.211 nan 8.290 nan 0.000 0.753 161 E N -0.347 119.639 120.200 -0.356 0.000 2.423 161 E HA 0.716 5.066 4.350 -0.000 0.000 0.269 161 E C -1.173 175.053 176.600 -0.624 0.000 0.948 161 E CA -1.296 54.733 56.400 -0.618 0.000 0.802 161 E CB 1.965 31.421 29.700 -0.407 0.000 1.339 161 E HN 0.377 nan 8.360 nan 0.000 0.445 162 Y N -2.107 117.794 120.300 -0.666 0.000 2.644 162 Y HA 0.743 5.293 4.550 -0.000 0.000 0.338 162 Y C -1.033 174.584 175.900 -0.471 0.000 1.119 162 Y CA -1.021 56.694 58.100 -0.642 0.000 1.060 162 Y CB 1.798 39.821 38.460 -0.729 0.000 1.294 162 Y HN 0.417 nan 8.280 nan 0.000 0.472 163 T N 1.885 116.271 114.554 -0.280 0.000 2.876 163 T HA 0.721 5.071 4.350 -0.000 0.000 0.289 163 T C -1.371 173.358 174.700 0.048 0.000 1.014 163 T CA -0.575 61.448 62.100 -0.128 0.000 0.986 163 T CB 1.687 70.525 68.868 -0.049 0.000 1.021 163 T HN 0.640 nan 8.240 nan 0.000 0.458 164 V N 1.424 121.432 119.914 0.155 0.000 2.914 164 V HA 1.026 5.146 4.120 -0.000 0.000 0.314 164 V C -0.414 175.819 176.094 0.232 0.000 1.084 164 V CA -0.793 61.672 62.300 0.275 0.000 0.963 164 V CB 1.798 33.809 31.823 0.313 0.000 1.025 164 V HN 1.169 nan 8.190 nan 0.000 0.432 165 A N 1.539 124.523 122.820 0.273 0.000 2.597 165 A HA 0.647 4.967 4.320 -0.000 0.000 0.292 165 A C -1.873 175.814 177.584 0.172 0.000 1.057 165 A CA -0.751 51.385 52.037 0.166 0.000 0.674 165 A CB 1.349 20.403 19.000 0.090 0.000 1.278 165 A HN 0.719 nan 8.150 nan 0.000 0.416 166 D N 0.850 121.308 120.400 0.097 0.000 2.225 166 D HA 0.695 5.335 4.640 -0.000 0.000 0.249 166 D C 0.089 176.425 176.300 0.061 0.000 1.052 166 D CA 0.376 54.428 54.000 0.087 0.000 0.909 166 D CB 1.809 42.644 40.800 0.058 0.000 1.186 166 D HN 0.752 nan 8.370 nan 0.000 0.431 167 I N -2.894 117.720 120.570 0.074 0.000 3.334 167 I HA 0.478 4.648 4.170 -0.000 0.000 0.316 167 I C -0.607 175.542 176.117 0.054 0.000 1.251 167 I CA -0.885 60.446 61.300 0.050 0.000 0.929 167 I CB 2.227 40.267 38.000 0.067 0.000 1.317 167 I HN 0.191 nan 8.210 nan 0.000 0.479 168 T N 0.904 115.484 114.554 0.042 0.000 2.952 168 T HA 0.638 4.988 4.350 -0.000 0.000 0.286 168 T C -0.960 173.769 174.700 0.049 0.000 1.024 168 T CA -0.484 61.640 62.100 0.039 0.000 1.029 168 T CB 1.207 70.091 68.868 0.026 0.000 1.094 168 T HN 0.875 nan 8.240 nan 0.000 0.515 169 K N 2.605 123.031 120.400 0.043 0.000 2.579 169 K HA 0.148 4.468 4.320 -0.000 0.000 0.283 169 K C 0.493 177.112 176.600 0.032 0.000 1.069 169 K CA -0.537 55.777 56.287 0.044 0.000 0.977 169 K CB 1.123 33.657 32.500 0.056 0.000 1.334 169 K HN 0.604 nan 8.250 nan 0.000 0.462 170 E N 1.607 121.823 120.200 0.027 0.000 2.005 170 E HA -0.142 4.208 4.350 -0.000 0.000 0.198 170 E C -0.311 176.300 176.600 0.017 0.000 1.010 170 E CA 1.929 58.342 56.400 0.021 0.000 0.825 170 E CB -0.143 29.568 29.700 0.019 0.000 0.769 170 E HN 0.799 nan 8.360 nan 0.000 0.456 171 D N 0.229 120.637 120.400 0.014 0.000 2.419 171 D HA 0.009 4.649 4.640 -0.000 0.000 0.236 171 D C 0.480 176.785 176.300 0.008 0.000 1.165 171 D CA 0.058 54.062 54.000 0.006 0.000 0.882 171 D CB 0.643 41.440 40.800 -0.006 0.000 1.201 171 D HN -0.082 nan 8.370 nan 0.000 0.443 172 R N 0.675 121.177 120.500 0.005 0.000 2.536 172 R HA 0.544 4.884 4.340 -0.000 0.000 0.279 172 R C 0.407 176.706 176.300 -0.002 0.000 1.001 172 R CA 0.082 56.186 56.100 0.007 0.000 1.027 172 R CB 0.700 31.008 30.300 0.014 0.000 1.096 172 R HN 0.791 nan 8.270 nan 0.000 0.502 173 G N 0.738 109.536 108.800 -0.003 0.000 2.297 173 G HA2 -0.113 3.847 3.960 -0.000 0.000 0.209 173 G HA3 -0.113 3.847 3.960 -0.000 0.000 0.209 173 G C -1.416 173.474 174.900 -0.016 0.000 1.267 173 G CA -0.396 44.695 45.100 -0.015 0.000 1.127 173 G HN 0.657 nan 8.290 nan 0.000 0.498 174 T N 0.245 114.784 114.554 -0.025 0.000 2.916 174 T HA 0.645 4.995 4.350 -0.000 0.000 0.298 174 T C -0.902 173.794 174.700 -0.007 0.000 1.031 174 T CA -0.391 61.696 62.100 -0.022 0.000 0.993 174 T CB 2.335 71.173 68.868 -0.051 0.000 1.045 174 T HN 0.744 nan 8.240 nan 0.000 0.454 175 E N 2.958 123.169 120.200 0.019 0.000 2.220 175 E HA 0.484 4.834 4.350 -0.000 0.000 0.256 175 E C -1.204 175.432 176.600 0.060 0.000 0.881 175 E CA -0.626 55.798 56.400 0.040 0.000 0.766 175 E CB 0.827 30.562 29.700 0.059 0.000 1.187 175 E HN 0.575 nan 8.360 nan 0.000 0.419 176 I N 3.878 124.485 120.570 0.062 0.000 2.355 176 I HA 0.235 4.405 4.170 -0.000 0.000 0.288 176 I C -0.285 175.886 176.117 0.090 0.000 0.999 176 I CA -0.517 60.831 61.300 0.080 0.000 1.163 176 I CB 1.944 39.987 38.000 0.072 0.000 1.316 176 I HN 0.384 nan 8.210 nan 0.000 0.454 177 T N 7.344 121.961 114.554 0.106 0.000 2.758 177 T HA 0.515 4.865 4.350 -0.000 0.000 0.285 177 T C -0.389 174.379 174.700 0.112 0.000 0.981 177 T CA -0.414 61.758 62.100 0.119 0.000 0.965 177 T CB 0.876 69.829 68.868 0.142 0.000 0.927 177 T HN 0.094 nan 8.240 nan 0.000 0.448 178 L N 4.052 125.329 121.223 0.091 0.000 2.296 178 L HA 0.348 4.688 4.340 -0.000 0.000 0.286 178 L C 0.364 177.291 176.870 0.095 0.000 1.023 178 L CA -0.649 54.225 54.840 0.057 0.000 0.812 178 L CB 0.868 42.902 42.059 -0.041 0.000 1.223 178 L HN 0.629 nan 8.230 nan 0.000 0.421 179 H N 5.154 124.250 119.070 0.043 0.000 2.787 179 H HA 0.305 4.861 4.556 -0.000 0.000 0.275 179 H C -0.438 174.905 175.328 0.024 0.000 1.183 179 H CA -0.630 55.450 56.048 0.053 0.000 1.290 179 H CB 0.389 30.194 29.762 0.073 0.000 1.438 179 H HN 0.489 nan 8.280 nan 0.000 0.487 180 L N 4.890 126.042 121.223 -0.118 0.000 2.559 180 L HA -0.019 4.321 4.340 -0.000 0.000 0.282 180 L C 1.416 178.301 176.870 0.026 0.000 1.232 180 L CA 0.431 55.229 54.840 -0.070 0.000 0.885 180 L CB 0.342 42.359 42.059 -0.071 0.000 1.131 180 L HN 0.511 nan 8.230 nan 0.000 0.498 181 R N 1.794 122.327 120.500 0.056 0.000 2.840 181 R HA 0.146 4.486 4.340 -0.000 0.000 0.282 181 R C -0.274 176.074 176.300 0.081 0.000 1.133 181 R CA -0.513 55.644 56.100 0.094 0.000 1.208 181 R CB 0.280 30.629 30.300 0.081 0.000 1.160 181 R HN 0.551 nan 8.270 nan 0.000 0.576 182 E N 0.115 120.364 120.200 0.081 0.000 2.130 182 E HA 0.268 4.618 4.350 -0.000 0.000 0.284 182 E C 0.018 176.664 176.600 0.076 0.000 1.018 182 E CA -0.004 56.438 56.400 0.070 0.000 0.817 182 E CB 1.272 31.008 29.700 0.059 0.000 1.078 182 E HN 0.838 nan 8.360 nan 0.000 0.396 183 G N 3.242 112.095 108.800 0.087 0.000 2.245 183 G HA2 -0.155 3.805 3.960 -0.000 0.000 0.130 183 G HA3 -0.155 3.805 3.960 -0.000 0.000 0.130 183 G C 0.117 175.117 174.900 0.167 0.000 1.040 183 G CA -0.588 44.578 45.100 0.109 0.000 0.713 183 G HN 0.510 nan 8.290 nan 0.000 0.488 184 E N -0.191 120.101 120.200 0.154 0.000 2.789 184 E HA 0.119 4.469 4.350 -0.000 0.000 0.217 184 E C 0.613 177.347 176.600 0.224 0.000 0.970 184 E CA 0.018 56.563 56.400 0.241 0.000 1.201 184 E CB 0.268 30.081 29.700 0.187 0.000 1.069 184 E HN 0.423 nan 8.360 nan 0.000 0.499 185 D N 1.677 122.139 120.400 0.104 0.000 2.411 185 D HA -0.152 4.488 4.640 -0.000 0.000 0.226 185 D C 1.469 177.753 176.300 -0.026 0.000 0.988 185 D CA 0.808 54.836 54.000 0.045 0.000 0.938 185 D CB 0.101 40.918 40.800 0.028 0.000 0.883 185 D HN 0.387 nan 8.370 nan 0.000 0.525 186 E N 0.179 120.332 120.200 -0.079 0.000 2.051 186 E HA -0.165 4.185 4.350 -0.000 0.000 0.192 186 E C 0.997 177.336 176.600 -0.435 0.000 0.991 186 E CA 0.726 56.938 56.400 -0.312 0.000 0.799 186 E CB -0.376 29.000 29.700 -0.541 0.000 0.748 186 E HN 0.382 nan 8.360 nan 0.000 0.449 187 F N 0.852 120.733 119.950 -0.115 0.000 2.772 187 F HA 0.043 4.570 4.527 -0.000 0.000 0.301 187 F C 1.247 176.801 175.800 -0.411 0.000 1.250 187 F CA 0.551 58.445 58.000 -0.176 0.000 1.441 187 F CB -0.105 38.901 39.000 0.009 0.000 1.112 187 F HN -0.040 nan 8.300 nan 0.000 0.563 188 L N -0.557 120.465 121.223 -0.336 0.000 3.066 188 L HA 0.276 4.616 4.340 -0.000 0.000 0.265 188 L C -0.527 175.996 176.870 -0.578 0.000 1.232 188 L CA -0.082 54.446 54.840 -0.520 0.000 1.031 188 L CB 0.175 42.189 42.059 -0.076 0.000 1.379 188 L HN -0.092 nan 8.230 nan 0.000 0.563 189 D N -0.231 119.819 120.400 -0.582 0.000 2.391 189 D HA 0.073 4.713 4.640 -0.000 0.000 0.245 189 D C 0.817 176.996 176.300 -0.202 0.000 1.069 189 D CA -0.291 53.561 54.000 -0.246 0.000 0.831 189 D CB 1.690 42.412 40.800 -0.131 0.000 1.204 189 D HN -0.007 nan 8.370 nan 0.000 0.503 190 D N 3.366 123.859 120.400 0.155 0.000 2.106 190 D HA -0.197 4.443 4.640 -0.000 0.000 0.191 190 D C 1.441 177.864 176.300 0.205 0.000 0.997 190 D CA 1.008 55.198 54.000 0.317 0.000 0.834 190 D CB -0.057 40.938 40.800 0.326 0.000 0.956 190 D HN 0.669 nan 8.370 nan 0.000 0.448 191 W N 1.640 122.947 121.300 0.011 0.000 2.358 191 W HA -0.237 4.423 4.660 -0.000 0.000 0.303 191 W C 2.465 178.952 176.519 -0.055 0.000 1.208 191 W CA 1.046 58.381 57.345 -0.017 0.000 1.274 191 W CB -0.242 29.202 29.460 -0.025 0.000 1.138 191 W HN -0.036 nan 8.180 nan 0.000 0.515 192 R N 0.957 121.274 120.500 -0.305 0.000 2.082 192 R HA -0.186 4.154 4.340 -0.000 0.000 0.234 192 R C 2.225 178.271 176.300 -0.424 0.000 1.136 192 R CA 2.802 58.603 56.100 -0.498 0.000 0.935 192 R CB -1.233 28.829 30.300 -0.396 0.000 0.842 192 R HN 0.107 nan 8.270 nan 0.000 0.430 193 V N 0.752 120.497 119.914 -0.282 0.000 2.287 193 V HA -0.244 3.876 4.120 -0.000 0.000 0.248 193 V C 2.531 178.563 176.094 -0.104 0.000 1.053 193 V CA 2.287 64.501 62.300 -0.143 0.000 1.027 193 V CB -0.548 31.222 31.823 -0.088 0.000 0.646 193 V HN 0.363 nan 8.190 nan 0.000 0.447 194 R N -0.111 120.348 120.500 -0.069 0.000 2.096 194 R HA -0.197 4.143 4.340 -0.000 0.000 0.240 194 R C 2.650 178.847 176.300 -0.171 0.000 1.139 194 R CA 2.040 58.120 56.100 -0.033 0.000 0.952 194 R CB -0.705 29.636 30.300 0.068 0.000 0.854 194 R HN 0.458 nan 8.270 nan 0.000 0.436 195 S N -0.300 115.146 115.700 -0.424 0.000 2.359 195 S HA -0.108 4.362 4.470 -0.000 0.000 0.224 195 S C 1.824 176.194 174.600 -0.382 0.000 1.035 195 S CA 1.567 59.401 58.200 -0.609 0.000 1.018 195 S CB -0.224 62.305 63.200 -1.118 0.000 0.876 195 S HN 0.343 nan 8.310 nan 0.000 0.448 196 I N 1.146 121.530 120.570 -0.311 0.000 2.179 196 I HA -0.181 3.989 4.170 -0.000 0.000 0.242 196 I C 2.057 178.097 176.117 -0.128 0.000 1.088 196 I CA 1.306 62.477 61.300 -0.214 0.000 1.357 196 I CB -0.502 37.452 38.000 -0.077 0.000 1.051 196 I HN 0.310 nan 8.210 nan 0.000 0.409 197 I N 0.040 120.571 120.570 -0.066 0.000 2.361 197 I HA -0.263 3.907 4.170 -0.000 0.000 0.251 197 I C 2.764 178.861 176.117 -0.033 0.000 1.133 197 I CA 1.036 62.329 61.300 -0.012 0.000 1.413 197 I CB -0.389 37.615 38.000 0.007 0.000 1.073 197 I HN 0.220 nan 8.210 nan 0.000 0.424 198 S N 1.107 116.757 115.700 -0.083 0.000 2.338 198 S HA -0.250 4.220 4.470 -0.000 0.000 0.218 198 S C 2.195 176.728 174.600 -0.111 0.000 1.032 198 S CA 1.704 59.857 58.200 -0.079 0.000 0.999 198 S CB -0.178 62.964 63.200 -0.096 0.000 0.905 198 S HN 0.352 nan 8.310 nan 0.000 0.439 199 K N -0.639 119.623 120.400 -0.230 0.000 2.063 199 K HA -0.130 4.190 4.320 -0.000 0.000 0.208 199 K C 1.053 177.449 176.600 -0.339 0.000 1.048 199 K CA 1.649 57.720 56.287 -0.360 0.000 0.928 199 K CB -0.292 31.849 32.500 -0.599 0.000 0.713 199 K HN 0.606 nan 8.250 nan 0.000 0.442 200 Y N 0.456 120.755 120.300 -0.003 0.000 2.495 200 Y HA 0.072 4.622 4.550 -0.000 0.000 0.293 200 Y C -0.092 175.916 175.900 0.180 0.000 1.186 200 Y CA -0.548 57.603 58.100 0.086 0.000 1.266 200 Y CB 0.641 39.101 38.460 0.000 0.000 1.101 200 Y HN 0.027 nan 8.280 nan 0.000 0.517 201 S N -1.075 114.748 115.700 0.204 0.000 2.423 201 S HA 0.276 4.746 4.470 -0.000 0.000 0.213 201 S C -0.748 173.892 174.600 0.066 0.000 1.131 201 S CA -0.777 57.449 58.200 0.043 0.000 1.155 201 S CB 0.408 63.578 63.200 -0.050 0.000 1.202 201 S HN 0.317 nan 8.310 nan 0.000 0.441 202 D N 2.024 122.546 120.400 0.204 0.000 2.123 202 D HA -0.001 4.639 4.640 -0.000 0.000 0.323 202 D C 1.174 177.542 176.300 0.113 0.000 1.075 202 D CA 0.403 54.462 54.000 0.099 0.000 0.892 202 D CB -0.397 40.444 40.800 0.068 0.000 1.716 202 D HN 0.832 nan 8.370 nan 0.000 0.531 203 H N 0.536 119.606 119.070 0.000 0.000 2.547 203 H HA 0.294 4.850 4.556 -0.000 0.000 0.272 203 H C 0.884 176.315 175.328 0.171 0.000 0.989 203 H CA 0.066 56.189 56.048 0.125 0.000 1.214 203 H CB 0.269 30.221 29.762 0.317 0.000 1.389 203 H HN 0.015 nan 8.280 nan 0.000 0.577 204 I N 1.894 122.332 120.570 -0.219 0.000 2.304 204 I HA 0.174 4.344 4.170 -0.000 0.000 0.291 204 I C 0.998 177.050 176.117 -0.107 0.000 1.018 204 I CA -0.554 60.603 61.300 -0.239 0.000 1.260 204 I CB 1.550 39.292 38.000 -0.430 0.000 1.390 204 I HN 0.353 nan 8.210 nan 0.000 0.475 205 A N 6.835 129.632 122.820 -0.039 0.000 1.933 205 A HA -0.113 4.207 4.320 -0.000 0.000 0.218 205 A C 1.132 178.685 177.584 -0.051 0.000 1.175 205 A CA 0.707 52.717 52.037 -0.046 0.000 0.628 205 A CB -0.223 18.771 19.000 -0.009 0.000 0.814 205 A HN 0.602 nan 8.150 nan 0.000 0.444 206 L N 1.277 122.468 121.223 -0.054 0.000 2.513 206 L HA 0.215 4.555 4.340 -0.000 0.000 0.272 206 L C -2.493 174.337 176.870 -0.067 0.000 1.187 206 L CA -1.594 53.211 54.840 -0.058 0.000 0.895 206 L CB 0.195 42.212 42.059 -0.070 0.000 1.147 206 L HN -0.013 nan 8.230 nan 0.000 0.483 207 P HA 0.057 nan 4.420 nan 0.000 0.268 207 P C -1.220 176.054 177.300 -0.045 0.000 1.204 207 P CA -0.011 63.062 63.100 -0.046 0.000 0.768 207 P CB 0.694 32.369 31.700 -0.041 0.000 0.842 208 V N 4.316 124.212 119.914 -0.030 0.000 2.304 208 V HA 0.192 4.312 4.120 -0.000 0.000 0.278 208 V C 0.429 176.538 176.094 0.026 0.000 1.018 208 V CA -0.367 61.923 62.300 -0.016 0.000 0.814 208 V CB 0.454 32.262 31.823 -0.025 0.000 1.021 208 V HN 0.505 nan 8.190 nan 0.000 0.440 209 E N 3.613 123.840 120.200 0.046 0.000 2.314 209 E HA 0.680 5.030 4.350 -0.000 0.000 0.262 209 E C -0.681 176.042 176.600 0.205 0.000 1.093 209 E CA -0.656 55.822 56.400 0.129 0.000 0.908 209 E CB 2.588 32.378 29.700 0.150 0.000 1.091 209 E HN 0.585 nan 8.360 nan 0.000 0.425 210 I N 0.247 120.978 120.570 0.268 0.000 2.607 210 I HA 0.130 4.300 4.170 -0.000 0.000 0.290 210 I C -0.801 175.425 176.117 0.182 0.000 1.129 210 I CA -0.585 60.868 61.300 0.255 0.000 1.042 210 I CB 1.713 39.809 38.000 0.160 0.000 1.242 210 I HN 0.509 nan 8.210 nan 0.000 0.421 211 E N 7.339 127.566 120.200 0.044 0.000 2.415 211 E HA -0.004 4.346 4.350 -0.000 0.000 0.260 211 E C -0.975 175.363 176.600 -0.436 0.000 1.016 211 E CA 0.061 56.111 56.400 -0.582 0.000 0.924 211 E CB 0.645 29.876 29.700 -0.782 0.000 0.961 211 E HN 0.465 nan 8.360 nan 0.000 0.459 212 K N 4.731 124.854 120.400 -0.462 0.000 2.323 212 K HA 0.342 4.662 4.320 -0.000 0.000 0.259 212 K C -0.892 175.520 176.600 -0.313 0.000 0.947 212 K CA -0.685 55.431 56.287 -0.286 0.000 0.819 212 K CB 1.072 33.472 32.500 -0.167 0.000 1.109 212 K HN 0.408 nan 8.250 nan 0.000 0.429 213 R N 2.616 122.971 120.500 -0.242 0.000 2.494 213 R HA 0.261 4.601 4.340 -0.000 0.000 0.305 213 R C -1.205 175.020 176.300 -0.124 0.000 0.959 213 R CA -0.762 55.219 56.100 -0.199 0.000 0.864 213 R CB 1.841 32.022 30.300 -0.200 0.000 1.159 213 R HN 0.629 nan 8.270 nan 0.000 0.446 214 E N 1.119 121.258 120.200 -0.102 0.000 2.293 214 E HA 0.111 4.461 4.350 -0.000 0.000 0.270 214 E C -1.553 175.013 176.600 -0.056 0.000 0.879 214 E CA -0.564 55.796 56.400 -0.067 0.000 0.756 214 E CB 1.780 31.445 29.700 -0.059 0.000 1.208 214 E HN 0.437 nan 8.360 nan 0.000 0.428 215 E N 3.333 123.509 120.200 -0.040 0.000 2.079 215 E HA 0.174 4.524 4.350 -0.000 0.000 0.252 215 E C -0.834 175.751 176.600 -0.025 0.000 0.992 215 E CA -0.241 56.140 56.400 -0.032 0.000 0.829 215 E CB 0.276 29.961 29.700 -0.025 0.000 1.158 215 E HN 0.261 nan 8.360 nan 0.000 0.435 216 K N 4.710 125.095 120.400 -0.025 0.000 2.363 216 K HA 0.121 4.441 4.320 -0.000 0.000 0.240 216 K C -0.565 176.026 176.600 -0.015 0.000 1.169 216 K CA -0.412 55.863 56.287 -0.020 0.000 1.131 216 K CB 0.263 32.751 32.500 -0.021 0.000 1.771 216 K HN 0.551 nan 8.250 nan 0.000 0.380 217 D N 0.362 120.754 120.400 -0.013 0.000 3.439 217 D HA -0.253 4.387 4.640 -0.000 0.000 0.238 217 D C 1.177 177.471 176.300 -0.010 0.000 1.727 217 D CA 1.361 55.355 54.000 -0.010 0.000 1.145 217 D CB -0.619 40.176 40.800 -0.008 0.000 0.764 217 D HN 0.508 nan 8.370 nan 0.000 0.938 218 G N 0.653 109.449 108.800 -0.007 0.000 2.808 218 G HA2 -0.378 3.582 3.960 -0.000 0.000 0.470 218 G HA3 -0.378 3.582 3.960 -0.000 0.000 0.470 218 G C 0.743 175.638 174.900 -0.007 0.000 1.041 218 G CA 2.283 47.379 45.100 -0.006 0.000 0.839 218 G HN 0.758 nan 8.290 nan 0.000 0.825 219 E N -1.002 119.193 120.200 -0.008 0.000 4.019 219 E HA 0.444 4.794 4.350 -0.000 0.000 0.547 219 E C 0.232 176.823 176.600 -0.015 0.000 0.480 219 E CA 0.403 56.798 56.400 -0.009 0.000 3.361 219 E CB -0.091 29.605 29.700 -0.006 0.000 2.299 219 E HN 0.428 nan 8.360 nan 0.000 0.456 220 T N 0.457 114.999 114.554 -0.020 0.000 2.912 220 T HA 0.447 4.796 4.350 -0.000 0.000 0.288 220 T C -0.776 173.900 174.700 -0.041 0.000 1.030 220 T CA -0.729 61.351 62.100 -0.033 0.000 1.020 220 T CB 1.702 70.546 68.868 -0.039 0.000 1.056 220 T HN 0.070 nan 8.240 nan 0.000 0.480 221 V N 3.190 123.070 119.914 -0.057 0.000 2.304 221 V HA 0.404 4.524 4.120 -0.000 0.000 0.278 221 V C -0.199 175.830 176.094 -0.108 0.000 1.018 221 V CA -0.643 61.618 62.300 -0.064 0.000 0.814 221 V CB 0.480 32.271 31.823 -0.052 0.000 1.021 221 V HN 0.758 nan 8.190 nan 0.000 0.440 222 I N 3.673 124.169 120.570 -0.124 0.000 2.440 222 I HA 0.591 4.761 4.170 -0.000 0.000 0.294 222 I C 0.448 176.417 176.117 -0.247 0.000 0.995 222 I CA 0.395 61.556 61.300 -0.231 0.000 1.306 222 I CB 1.936 39.803 38.000 -0.221 0.000 1.407 222 I HN 0.649 nan 8.210 nan 0.000 0.501 223 S N 3.353 118.791 115.700 -0.437 0.000 2.819 223 S HA 0.598 5.068 4.470 -0.000 0.000 0.299 223 S C -1.860 172.338 174.600 -0.670 0.000 1.192 223 S CA -0.706 57.301 58.200 -0.322 0.000 0.847 223 S CB 1.586 64.695 63.200 -0.152 0.000 1.224 223 S HN 0.575 nan 8.310 nan 0.000 0.537 224 W N 1.879 123.169 121.300 -0.016 0.000 2.288 224 W HA 0.324 4.984 4.660 -0.000 0.000 0.287 224 W C -0.848 175.665 176.519 -0.009 0.000 1.046 224 W CA -0.539 56.798 57.345 -0.014 0.000 1.074 224 W CB 0.375 29.826 29.460 -0.013 0.000 0.955 224 W HN 0.768 nan 8.180 nan 0.000 0.277 225 E N 2.082 122.367 120.200 0.142 0.000 2.301 225 E HA 0.436 4.785 4.350 -0.000 0.000 0.275 225 E C 0.025 176.689 176.600 0.107 0.000 1.030 225 E CA -0.996 55.464 56.400 0.101 0.000 0.852 225 E CB 1.373 31.104 29.700 0.052 0.000 1.060 225 E HN 0.313 nan 8.360 nan 0.000 0.401 226 K N 3.137 123.584 120.400 0.078 0.000 2.174 226 K HA 0.225 4.545 4.320 -0.000 0.000 0.275 226 K C -0.005 176.622 176.600 0.044 0.000 1.015 226 K CA -0.546 55.777 56.287 0.060 0.000 0.933 226 K CB 0.977 33.497 32.500 0.033 0.000 1.025 226 K HN 0.680 nan 8.250 nan 0.000 0.463 227 I N 0.791 121.385 120.570 0.040 0.000 3.854 227 I HA -0.027 4.143 4.170 -0.000 0.000 0.312 227 I C 0.319 176.443 176.117 0.012 0.000 1.273 227 I CA -0.289 61.029 61.300 0.031 0.000 1.298 227 I CB -0.037 37.984 38.000 0.035 0.000 1.071 227 I HN 0.736 nan 8.210 nan 0.000 0.428 228 N N 1.560 120.262 118.700 0.003 0.000 2.530 228 N HA 0.023 4.763 4.740 -0.000 0.000 0.277 228 N C 0.799 176.298 175.510 -0.018 0.000 1.168 228 N CA 0.380 53.421 53.050 -0.015 0.000 0.979 228 N CB 1.168 39.638 38.487 -0.028 0.000 1.141 228 N HN -0.042 nan 8.380 nan 0.000 0.459 229 K N 2.636 123.020 120.400 -0.027 0.000 2.128 229 K HA 0.225 4.545 4.320 -0.000 0.000 0.202 229 K C -0.644 175.928 176.600 -0.046 0.000 1.050 229 K CA 0.790 57.057 56.287 -0.033 0.000 0.966 229 K CB -0.025 32.452 32.500 -0.038 0.000 0.759 229 K HN 0.716 nan 8.250 nan 0.000 0.454 230 A N 1.390 124.176 122.820 -0.056 0.000 2.012 230 A HA -0.139 4.181 4.320 -0.000 0.000 0.504 230 A C -0.786 176.745 177.584 -0.089 0.000 0.596 230 A CA 0.681 52.677 52.037 -0.068 0.000 0.413 230 A CB -1.266 17.699 19.000 -0.058 0.000 2.918 230 A HN 0.470 nan 8.150 nan 0.000 0.406 231 Q N -0.076 119.655 119.800 -0.115 0.000 2.613 231 Q HA 0.481 4.821 4.340 -0.000 0.000 0.231 231 Q C -0.199 175.657 176.000 -0.240 0.000 0.879 231 Q CA -0.039 55.663 55.803 -0.169 0.000 1.083 231 Q CB 1.750 30.395 28.738 -0.155 0.000 1.588 231 Q HN 2.392 nan 8.270 nan 0.000 0.500 232 A N 2.614 125.216 122.820 -0.363 0.000 2.563 232 A HA -0.044 4.276 4.320 -0.000 0.000 0.256 232 A C 1.088 178.301 177.584 -0.618 0.000 1.056 232 A CA 0.232 51.891 52.037 -0.630 0.000 0.775 232 A CB 0.025 18.248 19.000 -1.294 0.000 0.973 232 A HN 0.822 nan 8.150 nan 0.000 0.516 233 L N 3.356 124.342 121.223 -0.395 0.000 1.997 233 L HA -0.192 4.148 4.340 -0.000 0.000 0.216 233 L C 2.184 178.796 176.870 -0.429 0.000 1.074 233 L CA 2.984 57.547 54.840 -0.462 0.000 0.763 233 L CB -0.739 40.825 42.059 -0.825 0.000 0.890 233 L HN 0.993 nan 8.230 nan 0.000 0.434 234 W N -2.334 118.632 121.300 -0.557 0.000 2.848 234 W HA 0.017 4.677 4.660 -0.000 0.000 0.241 234 W C 1.531 178.013 176.519 -0.063 0.000 1.289 234 W CA 0.683 57.759 57.345 -0.448 0.000 1.396 234 W CB -1.298 27.942 29.460 -0.366 0.000 1.138 234 W HN -0.074 nan 8.180 nan 0.000 0.677 235 T N 0.887 115.154 114.554 -0.478 0.000 2.901 235 T HA 0.056 4.406 4.350 -0.000 0.000 0.252 235 T C 1.189 175.811 174.700 -0.130 0.000 1.035 235 T CA 0.330 62.215 62.100 -0.358 0.000 1.142 235 T CB -0.037 68.530 68.868 -0.503 0.000 0.869 235 T HN 0.020 nan 8.240 nan 0.000 0.442 236 R N 2.447 122.873 120.500 -0.125 0.000 2.774 236 R HA 0.192 4.532 4.340 -0.000 0.000 0.269 236 R C -0.127 176.190 176.300 0.028 0.000 1.068 236 R CA -0.296 55.766 56.100 -0.063 0.000 1.180 236 R CB 0.132 30.374 30.300 -0.097 0.000 1.077 236 R HN 0.286 nan 8.270 nan 0.000 0.513 237 N N 2.377 121.075 118.700 -0.004 0.000 2.430 237 N HA 0.002 4.742 4.740 -0.000 0.000 0.265 237 N C 0.513 176.050 175.510 0.045 0.000 1.100 237 N CA -0.013 53.031 53.050 -0.010 0.000 0.961 237 N CB 1.093 39.566 38.487 -0.024 0.000 1.075 237 N HN 0.451 nan 8.380 nan 0.000 0.478 238 K N 1.113 121.546 120.400 0.055 0.000 2.148 238 K HA -0.235 4.085 4.320 -0.000 0.000 0.213 238 K C 1.543 178.257 176.600 0.191 0.000 1.050 238 K CA 1.799 58.228 56.287 0.236 0.000 0.932 238 K CB -0.257 32.332 32.500 0.149 0.000 0.717 238 K HN 0.411 nan 8.250 nan 0.000 0.462 239 S N 1.355 117.108 115.700 0.088 0.000 2.420 239 S HA -0.185 4.285 4.470 -0.000 0.000 0.237 239 S C 1.584 176.224 174.600 0.066 0.000 1.023 239 S CA 1.767 60.007 58.200 0.066 0.000 0.991 239 S CB -0.263 62.953 63.200 0.026 0.000 0.792 239 S HN 0.491 nan 8.310 nan 0.000 0.488 240 E N 0.142 120.375 120.200 0.054 0.000 2.413 240 E HA 0.223 4.573 4.350 -0.000 0.000 0.203 240 E C 0.102 176.710 176.600 0.013 0.000 0.957 240 E CA -0.053 56.362 56.400 0.026 0.000 0.950 240 E CB 0.151 29.848 29.700 -0.004 0.000 0.957 240 E HN 0.449 nan 8.360 nan 0.000 0.497 241 I N 3.860 124.439 120.570 0.015 0.000 2.396 241 I HA 0.022 4.192 4.170 -0.000 0.000 0.289 241 I C 0.825 176.964 176.117 0.036 0.000 1.056 241 I CA -0.273 60.954 61.300 -0.121 0.000 1.365 241 I CB 0.732 38.459 38.000 -0.455 0.000 1.407 241 I HN 0.010 nan 8.210 nan 0.000 0.509 242 T N 0.731 115.285 114.554 -0.000 0.000 2.849 242 T HA 0.141 4.491 4.350 -0.000 0.000 0.284 242 T C 0.856 175.688 174.700 0.219 0.000 1.004 242 T CA -0.777 61.401 62.100 0.131 0.000 1.021 242 T CB 1.341 70.249 68.868 0.065 0.000 1.013 242 T HN 0.483 nan 8.240 nan 0.000 0.527 243 D N -0.070 120.523 120.400 0.321 0.000 2.178 243 D HA -0.124 4.516 4.640 -0.000 0.000 0.201 243 D C 1.764 178.147 176.300 0.138 0.000 0.980 243 D CA 1.119 55.344 54.000 0.375 0.000 0.842 243 D CB -0.113 40.972 40.800 0.475 0.000 0.948 243 D HN 0.860 nan 8.370 nan 0.000 0.472 244 E N 1.277 121.523 120.200 0.077 0.000 2.038 244 E HA -0.216 4.134 4.350 -0.000 0.000 0.195 244 E C 1.692 178.244 176.600 -0.079 0.000 1.000 244 E CA 1.050 57.451 56.400 0.001 0.000 0.803 244 E CB 0.095 29.784 29.700 -0.019 0.000 0.750 244 E HN 0.299 nan 8.360 nan 0.000 0.448 245 E N -0.679 119.453 120.200 -0.113 0.000 2.110 245 E HA -0.197 4.153 4.350 -0.000 0.000 0.193 245 E C 1.966 178.431 176.600 -0.224 0.000 0.988 245 E CA 1.114 57.396 56.400 -0.198 0.000 0.804 245 E CB -0.187 29.377 29.700 -0.227 0.000 0.745 245 E HN 0.466 nan 8.360 nan 0.000 0.458 246 Y N 1.001 121.126 120.300 -0.292 0.000 2.314 246 Y HA -0.122 4.428 4.550 -0.000 0.000 0.293 246 Y C 2.200 177.896 175.900 -0.340 0.000 1.129 246 Y CA 0.902 58.690 58.100 -0.519 0.000 1.201 246 Y CB 0.220 37.841 38.460 -1.399 0.000 0.999 246 Y HN -0.074 nan 8.280 nan 0.000 0.541 247 K N -0.335 119.993 120.400 -0.120 0.000 2.044 247 K HA -0.106 4.214 4.320 -0.000 0.000 0.204 247 K C 1.846 178.438 176.600 -0.014 0.000 1.049 247 K CA 1.088 57.371 56.287 -0.007 0.000 0.945 247 K CB -0.031 32.496 32.500 0.046 0.000 0.724 247 K HN 0.111 nan 8.250 nan 0.000 0.440 248 E N 0.766 120.892 120.200 -0.123 0.000 2.110 248 E HA -0.178 4.172 4.350 -0.000 0.000 0.193 248 E C 1.794 178.274 176.600 -0.200 0.000 0.988 248 E CA 0.938 57.202 56.400 -0.227 0.000 0.804 248 E CB -0.315 29.125 29.700 -0.434 0.000 0.745 248 E HN 0.234 nan 8.360 nan 0.000 0.458 249 F N 0.951 120.738 119.950 -0.273 0.000 2.202 249 F HA -0.294 4.233 4.527 -0.000 0.000 0.301 249 F C 2.349 178.074 175.800 -0.124 0.000 1.082 249 F CA 1.398 59.425 58.000 0.045 0.000 1.313 249 F CB -0.306 38.736 39.000 0.070 0.000 1.024 249 F HN 0.071 nan 8.300 nan 0.000 0.495 250 Y N 1.428 121.486 120.300 -0.403 0.000 2.145 250 Y HA -0.179 4.371 4.550 -0.000 0.000 0.286 250 Y C 2.263 177.826 175.900 -0.562 0.000 1.145 250 Y CA 2.054 59.617 58.100 -0.895 0.000 1.148 250 Y CB -0.757 37.040 38.460 -1.105 0.000 0.981 250 Y HN -0.018 nan 8.280 nan 0.000 0.507 251 K N -0.710 119.354 120.400 -0.559 0.000 2.059 251 K HA -0.334 3.986 4.320 -0.000 0.000 0.212 251 K C 2.057 178.333 176.600 -0.539 0.000 1.050 251 K CA 1.961 57.923 56.287 -0.541 0.000 0.927 251 K CB -0.756 31.613 32.500 -0.218 0.000 0.714 251 K HN 0.480 nan 8.250 nan 0.000 0.447 252 H N 1.975 120.741 119.070 -0.507 0.000 2.265 252 H HA -0.142 4.414 4.556 -0.000 0.000 0.295 252 H C 1.827 176.706 175.328 -0.749 0.000 1.084 252 H CA 2.341 58.087 56.048 -0.504 0.000 1.261 252 H CB -0.392 29.118 29.762 -0.420 0.000 1.360 252 H HN 0.311 nan 8.280 nan 0.000 0.487 253 I N -1.950 117.924 120.570 -1.161 0.000 2.928 253 I HA 0.142 4.311 4.170 -0.000 0.000 0.266 253 I C 2.228 177.735 176.117 -1.017 0.000 1.234 253 I CA 1.161 61.778 61.300 -1.138 0.000 1.483 253 I CB -0.430 37.064 38.000 -0.844 0.000 1.097 253 I HN 0.328 nan 8.210 nan 0.000 0.455 254 A N -0.283 121.923 122.820 -1.023 0.000 2.147 254 A HA 0.055 4.375 4.320 -0.000 0.000 0.211 254 A C 0.737 177.958 177.584 -0.604 0.000 1.160 254 A CA 0.017 51.561 52.037 -0.822 0.000 0.781 254 A CB -0.486 17.787 19.000 -1.213 0.000 0.842 254 A HN 0.619 nan 8.150 nan 0.000 0.475 255 H N -0.121 118.662 119.070 -0.480 0.000 2.750 255 H HA -0.158 4.398 4.556 -0.000 0.000 0.327 255 H C -0.781 174.275 175.328 -0.455 0.000 1.199 255 H CA 1.267 57.098 56.048 -0.362 0.000 1.149 255 H CB -1.409 28.194 29.762 -0.265 0.000 1.543 255 H HN 0.737 nan 8.280 nan 0.000 0.427 256 D N -1.179 118.977 120.400 -0.407 0.000 2.934 256 D HA 0.226 4.866 4.640 -0.000 0.000 0.230 256 D C 0.515 176.714 176.300 -0.167 0.000 1.204 256 D CA -0.722 52.994 54.000 -0.473 0.000 0.873 256 D CB 0.562 41.106 40.800 -0.427 0.000 1.645 256 D HN -0.072 nan 8.370 nan 0.000 0.502 257 F N 3.284 123.136 119.950 -0.164 0.000 2.146 257 F HA 0.096 4.623 4.527 -0.000 0.000 0.298 257 F C 0.820 176.652 175.800 0.053 0.000 1.096 257 F CA 0.846 58.844 58.000 -0.003 0.000 1.275 257 F CB -0.245 38.823 39.000 0.113 0.000 1.008 257 F HN 0.304 nan 8.300 nan 0.000 0.480 258 N N 1.762 120.468 118.700 0.008 0.000 2.260 258 N HA -0.040 4.700 4.740 -0.000 0.000 0.230 258 N C -0.477 175.048 175.510 0.025 0.000 1.323 258 N CA 0.198 53.228 53.050 -0.034 0.000 0.897 258 N CB 0.091 38.674 38.487 0.160 0.000 1.146 258 N HN 0.230 nan 8.380 nan 0.000 0.460 259 D N 0.129 120.549 120.400 0.034 0.000 2.437 259 D HA 0.410 5.050 4.640 -0.000 0.000 0.259 259 D C -1.993 174.340 176.300 0.054 0.000 1.118 259 D CA -0.852 53.194 54.000 0.077 0.000 1.017 259 D CB 1.253 42.087 40.800 0.056 0.000 1.120 259 D HN 0.320 nan 8.370 nan 0.000 0.541 260 P HA 0.312 nan 4.420 nan 0.000 0.287 260 P C 0.388 177.744 177.300 0.093 0.000 1.292 260 P CA -0.576 62.446 63.100 -0.130 0.000 0.879 260 P CB 1.909 33.448 31.700 -0.268 0.000 1.214 261 L N -0.419 120.861 121.223 0.094 0.000 2.168 261 L HA 0.138 4.478 4.340 -0.000 0.000 0.203 261 L C 1.233 178.124 176.870 0.035 0.000 1.078 261 L CA 1.341 56.236 54.840 0.092 0.000 0.780 261 L CB -0.442 41.681 42.059 0.108 0.000 0.939 261 L HN 0.584 nan 8.230 nan 0.000 0.451 262 T N -3.788 110.789 114.554 0.038 0.000 2.665 262 T HA 0.466 4.816 4.350 -0.000 0.000 0.303 262 T C -1.987 172.736 174.700 0.038 0.000 1.334 262 T CA -0.799 61.203 62.100 -0.163 0.000 1.011 262 T CB 1.727 70.429 68.868 -0.276 0.000 1.573 262 T HN 0.226 nan 8.240 nan 0.000 0.492 263 W N -0.948 120.206 121.300 -0.244 0.000 3.248 263 W HA 0.784 5.444 4.660 -0.000 0.000 0.311 263 W C -1.321 174.988 176.519 -0.349 0.000 1.258 263 W CA -0.902 56.180 57.345 -0.438 0.000 1.191 263 W CB 1.282 30.295 29.460 -0.746 0.000 1.389 263 W HN 0.810 nan 8.180 nan 0.000 0.561 264 S N 1.293 116.954 115.700 -0.066 0.000 2.653 264 S HA 0.267 4.737 4.470 -0.000 0.000 0.272 264 S C -1.297 173.355 174.600 0.087 0.000 1.221 264 S CA -0.461 57.723 58.200 -0.027 0.000 1.149 264 S CB -0.275 62.900 63.200 -0.043 0.000 1.029 264 S HN 0.646 nan 8.310 nan 0.000 0.481 265 H N 5.166 124.256 119.070 0.033 0.000 2.604 265 H HA 0.449 5.005 4.556 -0.000 0.000 0.306 265 H C -0.624 174.740 175.328 0.060 0.000 1.075 265 H CA -0.535 55.565 56.048 0.086 0.000 1.357 265 H CB 0.252 30.135 29.762 0.202 0.000 1.426 265 H HN 0.548 nan 8.280 nan 0.000 0.470 266 N N 4.691 123.528 118.700 0.228 0.000 2.260 266 N HA 0.217 4.957 4.740 -0.000 0.000 0.293 266 N C -1.144 174.372 175.510 0.009 0.000 1.058 266 N CA -0.771 52.303 53.050 0.040 0.000 0.824 266 N CB 2.831 41.345 38.487 0.046 0.000 1.551 266 N HN 0.605 nan 8.380 nan 0.000 0.475 267 R N 0.817 121.261 120.500 -0.094 0.000 2.664 267 R HA 0.763 5.102 4.340 -0.000 0.000 0.286 267 R C -1.424 174.750 176.300 -0.210 0.000 0.967 267 R CA -0.627 55.402 56.100 -0.118 0.000 0.933 267 R CB 1.292 31.536 30.300 -0.094 0.000 1.146 267 R HN 0.331 nan 8.270 nan 0.000 0.468 268 V N 2.952 122.688 119.914 -0.296 0.000 2.817 268 V HA 0.287 4.407 4.120 -0.000 0.000 0.303 268 V C -1.537 174.429 176.094 -0.214 0.000 1.151 268 V CA -0.822 61.281 62.300 -0.328 0.000 0.929 268 V CB 2.134 33.562 31.823 -0.659 0.000 1.030 268 V HN 0.879 nan 8.190 nan 0.000 0.427 269 E N 3.101 123.230 120.200 -0.119 0.000 2.316 269 E HA 0.741 5.091 4.350 -0.000 0.000 0.254 269 E C 0.331 176.911 176.600 -0.032 0.000 0.902 269 E CA -0.278 56.086 56.400 -0.060 0.000 0.801 269 E CB 2.259 31.934 29.700 -0.041 0.000 1.270 269 E HN 0.826 nan 8.360 nan 0.000 0.414 270 G N 2.555 111.349 108.800 -0.009 0.000 3.394 270 G HA2 -0.031 3.929 3.960 -0.000 0.000 0.132 270 G HA3 -0.031 3.929 3.960 -0.000 0.000 0.132 270 G C 0.323 175.240 174.900 0.027 0.000 1.220 270 G CA -0.323 44.781 45.100 0.007 0.000 1.421 270 G HN 0.234 nan 8.290 nan 0.000 0.711 271 K N 0.173 120.598 120.400 0.043 0.000 2.335 271 K HA 0.293 4.612 4.320 -0.000 0.000 0.195 271 K C 0.338 176.988 176.600 0.085 0.000 1.058 271 K CA 0.427 56.747 56.287 0.055 0.000 0.988 271 K CB 0.724 33.255 32.500 0.051 0.000 0.880 271 K HN 0.224 nan 8.250 nan 0.000 0.513 272 Q N 1.773 121.645 119.800 0.121 0.000 2.798 272 Q HA 0.130 4.470 4.340 -0.000 0.000 0.250 272 Q C -1.395 174.746 176.000 0.234 0.000 1.006 272 Q CA -0.192 55.742 55.803 0.218 0.000 0.759 272 Q CB 1.557 30.490 28.738 0.326 0.000 1.201 272 Q HN 0.125 nan 8.270 nan 0.000 0.486 273 E N 3.163 123.454 120.200 0.151 0.000 1.944 273 E HA 0.099 4.449 4.350 -0.000 0.000 0.272 273 E C -1.028 175.676 176.600 0.175 0.000 1.195 273 E CA -0.002 56.448 56.400 0.084 0.000 0.926 273 E CB 0.188 29.923 29.700 0.058 0.000 1.051 273 E HN 0.464 nan 8.360 nan 0.000 0.404 274 Y N 0.721 121.056 120.300 0.059 0.000 3.159 274 Y HA 0.737 5.287 4.550 -0.000 0.000 0.299 274 Y C -0.625 175.323 175.900 0.080 0.000 1.666 274 Y CA -1.200 56.940 58.100 0.067 0.000 1.049 274 Y CB 1.262 39.754 38.460 0.053 0.000 1.413 274 Y HN 0.018 nan 8.280 nan 0.000 0.576 275 T N 1.315 116.040 114.554 0.286 0.000 3.888 275 T HA 0.275 4.625 4.350 -0.000 0.000 0.274 275 T C -1.137 173.730 174.700 0.279 0.000 0.639 275 T CA -0.704 61.515 62.100 0.198 0.000 1.047 275 T CB -0.203 68.817 68.868 0.253 0.000 1.111 275 T HN 0.932 nan 8.240 nan 0.000 0.497 276 S N 1.972 117.866 115.700 0.324 0.000 2.655 276 S HA 0.828 5.298 4.470 -0.000 0.000 0.265 276 S C -0.092 174.594 174.600 0.142 0.000 1.240 276 S CA -0.899 57.412 58.200 0.185 0.000 0.986 276 S CB 1.545 64.872 63.200 0.212 0.000 0.985 276 S HN 0.652 nan 8.310 nan 0.000 0.562 277 L N 0.806 122.052 121.223 0.039 0.000 2.367 277 L HA 0.439 4.778 4.340 -0.000 0.000 0.263 277 L C -1.820 175.048 176.870 -0.004 0.000 1.473 277 L CA -0.336 54.511 54.840 0.012 0.000 0.807 277 L CB -0.051 41.982 42.059 -0.044 0.000 0.968 277 L HN 0.647 nan 8.230 nan 0.000 0.520 278 L N 1.966 123.172 121.223 -0.028 0.000 2.439 278 L HA 0.508 4.848 4.340 -0.000 0.000 0.261 278 L C -0.472 176.348 176.870 -0.084 0.000 1.153 278 L CA 0.289 55.131 54.840 0.003 0.000 0.808 278 L CB 0.428 42.474 42.059 -0.023 0.000 1.126 278 L HN 0.300 nan 8.230 nan 0.000 0.460 279 Y N 0.956 121.307 120.300 0.086 0.000 2.512 279 Y HA 0.598 5.148 4.550 0.000 0.000 0.348 279 Y C -0.354 175.549 175.900 0.005 0.000 0.990 279 Y CA -0.571 57.575 58.100 0.077 0.000 1.033 279 Y CB 1.901 40.422 38.460 0.102 0.000 1.259 279 Y HN 0.312 nan 8.280 nan 0.000 0.461 280 I N 5.829 126.483 120.570 0.140 0.000 2.390 280 I HA 0.275 4.444 4.170 -0.000 0.000 0.283 280 I C -1.885 174.278 176.117 0.077 0.000 1.016 280 I CA -2.259 59.110 61.300 0.115 0.000 1.151 280 I CB 1.460 39.499 38.000 0.065 0.000 1.293 280 I HN 0.393 nan 8.210 nan 0.000 0.458 281 P HA -0.172 nan 4.420 nan 0.000 0.281 281 P C 0.521 177.964 177.300 0.238 0.000 1.461 281 P CA 0.702 63.903 63.100 0.168 0.000 0.967 281 P CB 0.537 32.497 31.700 0.433 0.000 1.357 282 S N -4.045 111.859 115.700 0.339 0.000 2.079 282 S HA 0.044 4.514 4.470 -0.000 0.000 0.237 282 S C -0.221 174.466 174.600 0.146 0.000 0.900 282 S CA 0.011 58.344 58.200 0.222 0.000 1.599 282 S CB -0.342 62.948 63.200 0.149 0.000 1.167 282 S HN 0.492 nan 8.310 nan 0.000 0.551 283 Q N 1.272 121.187 119.800 0.191 0.000 2.359 283 Q HA 0.802 5.142 4.340 -0.000 0.000 0.274 283 Q C -1.030 175.041 176.000 0.119 0.000 1.074 283 Q CA -0.029 55.832 55.803 0.097 0.000 0.810 283 Q CB 1.994 30.852 28.738 0.201 0.000 1.342 283 Q HN 0.402 nan 8.270 nan 0.000 0.427 284 A N 4.464 127.217 122.820 -0.110 0.000 2.331 284 A HA 0.651 4.971 4.320 -0.000 0.000 0.283 284 A C -2.192 175.488 177.584 0.161 0.000 1.142 284 A CA -1.331 50.678 52.037 -0.047 0.000 0.812 284 A CB -0.141 18.646 19.000 -0.354 0.000 1.074 284 A HN 0.690 nan 8.150 nan 0.000 0.497 285 P HA -0.096 nan 4.420 nan 0.000 0.264 285 P C 0.210 177.601 177.300 0.152 0.000 1.193 285 P CA -0.058 63.222 63.100 0.301 0.000 0.763 285 P CB 0.413 32.282 31.700 0.281 0.000 0.810 286 W N 4.186 125.529 121.300 0.071 0.000 2.359 286 W HA -0.136 4.524 4.660 -0.000 0.000 0.275 286 W C 0.742 177.221 176.519 -0.068 0.000 1.217 286 W CA 1.449 58.776 57.345 -0.029 0.000 1.196 286 W CB -0.149 29.252 29.460 -0.098 0.000 1.129 286 W HN 0.324 nan 8.180 nan 0.000 0.566 287 D N -0.064 120.221 120.400 -0.192 0.000 2.491 287 D HA 0.001 4.641 4.640 -0.000 0.000 0.228 287 D C 1.657 177.522 176.300 -0.725 0.000 1.183 287 D CA 0.052 53.792 54.000 -0.433 0.000 0.827 287 D CB -0.353 40.400 40.800 -0.078 0.000 0.989 287 D HN 0.298 nan 8.370 nan 0.000 0.494 288 M N -0.764 118.400 119.600 -0.727 0.000 2.686 288 M HA -0.046 4.434 4.480 -0.000 0.000 0.246 288 M C 0.045 175.848 176.300 -0.828 0.000 1.096 288 M CA 1.045 55.829 55.300 -0.859 0.000 1.076 288 M CB 0.133 32.296 32.600 -0.728 0.000 1.504 288 M HN 0.047 nan 8.290 nan 0.000 0.524 289 W N 1.426 122.567 121.300 -0.264 0.000 2.145 289 W HA 0.233 4.893 4.660 -0.000 0.000 0.370 289 W C -0.686 175.741 176.519 -0.154 0.000 0.850 289 W CA -0.977 56.259 57.345 -0.182 0.000 2.615 289 W CB 0.172 29.521 29.460 -0.185 0.000 1.376 289 W HN 0.229 nan 8.180 nan 0.000 0.654 290 N N -1.727 116.989 118.700 0.028 0.000 2.336 290 N HA 0.457 5.197 4.740 -0.000 0.000 0.290 290 N C 0.367 175.911 175.510 0.057 0.000 1.058 290 N CA -0.871 52.197 53.050 0.030 0.000 0.865 290 N CB 1.340 39.812 38.487 -0.023 0.000 1.581 290 N HN -0.266 nan 8.380 nan 0.000 0.480 291 R N 0.639 121.175 120.500 0.060 0.000 2.401 291 R HA -0.217 4.123 4.340 -0.000 0.000 0.210 291 R C -0.232 176.125 176.300 0.095 0.000 1.054 291 R CA 1.938 58.078 56.100 0.066 0.000 0.789 291 R CB -0.736 29.594 30.300 0.051 0.000 0.869 291 R HN 0.728 nan 8.270 nan 0.000 0.406 292 D N 0.907 121.360 120.400 0.087 0.000 2.483 292 D HA -0.056 4.584 4.640 -0.000 0.000 0.261 292 D C -0.670 175.723 176.300 0.154 0.000 1.318 292 D CA 0.719 54.779 54.000 0.099 0.000 1.201 292 D CB -0.357 40.487 40.800 0.073 0.000 1.127 292 D HN 0.262 nan 8.370 nan 0.000 0.519 293 H N 1.136 120.253 119.070 0.078 0.000 2.934 293 H HA 0.179 4.735 4.556 -0.000 0.000 0.340 293 H C -0.604 174.829 175.328 0.175 0.000 1.008 293 H CA -1.075 55.026 56.048 0.087 0.000 1.317 293 H CB 0.904 30.681 29.762 0.025 0.000 1.670 293 H HN 0.068 nan 8.280 nan 0.000 0.516 294 K N 4.931 125.040 120.400 -0.484 0.000 2.511 294 K HA 0.147 4.467 4.320 -0.000 0.000 0.280 294 K C -0.773 175.551 176.600 -0.460 0.000 1.008 294 K CA 0.375 56.435 56.287 -0.379 0.000 1.050 294 K CB 0.282 32.646 32.500 -0.226 0.000 0.889 294 K HN 0.871 nan 8.250 nan 0.000 0.484 295 H N -0.371 118.519 119.070 -0.301 0.000 3.068 295 H HA 0.595 5.151 4.556 -0.000 0.000 0.342 295 H C -0.343 174.911 175.328 -0.123 0.000 1.284 295 H CA -0.436 55.499 56.048 -0.188 0.000 1.181 295 H CB 1.408 31.090 29.762 -0.133 0.000 1.898 295 H HN 1.054 nan 8.280 nan 0.000 0.540 296 G N 0.615 109.372 108.800 -0.072 0.000 2.340 296 G HA2 0.245 4.205 3.960 -0.000 0.000 0.527 296 G HA3 0.245 4.205 3.960 -0.000 0.000 0.527 296 G C -2.142 172.696 174.900 -0.103 0.000 1.381 296 G CA -0.807 44.220 45.100 -0.120 0.000 1.001 296 G HN 0.485 nan 8.290 nan 0.000 0.626 297 L N 0.364 121.521 121.223 -0.110 0.000 2.360 297 L HA 0.624 4.964 4.340 -0.000 0.000 0.271 297 L C 0.946 177.714 176.870 -0.171 0.000 1.057 297 L CA -0.691 54.058 54.840 -0.153 0.000 0.803 297 L CB 1.522 43.444 42.059 -0.228 0.000 1.207 297 L HN 0.687 nan 8.230 nan 0.000 0.445 298 K N 2.654 122.970 120.400 -0.140 0.000 2.338 298 K HA 0.262 4.582 4.320 -0.000 0.000 0.290 298 K C -0.693 175.845 176.600 -0.103 0.000 1.069 298 K CA -0.238 56.002 56.287 -0.079 0.000 0.941 298 K CB 0.227 32.712 32.500 -0.024 0.000 1.023 298 K HN 0.568 nan 8.250 nan 0.000 0.477 299 L N 5.772 126.872 121.223 -0.205 0.000 2.305 299 L HA 0.280 4.620 4.340 -0.000 0.000 0.281 299 L C -1.253 175.471 176.870 -0.244 0.000 1.085 299 L CA -0.474 54.199 54.840 -0.279 0.000 0.813 299 L CB 0.267 42.143 42.059 -0.306 0.000 1.157 299 L HN 0.666 nan 8.230 nan 0.000 0.436 300 Y N 3.123 123.284 120.300 -0.231 0.000 2.662 300 Y HA 0.691 5.241 4.550 -0.000 0.000 0.335 300 Y C -0.463 175.414 175.900 -0.039 0.000 1.066 300 Y CA -0.686 57.356 58.100 -0.096 0.000 1.116 300 Y CB 2.326 40.795 38.460 0.016 0.000 1.308 300 Y HN 0.185 nan 8.280 nan 0.000 0.502 301 V N 1.329 121.370 119.914 0.213 0.000 2.737 301 V HA 0.162 4.282 4.120 -0.000 0.000 0.298 301 V C -1.036 175.176 176.094 0.198 0.000 1.163 301 V CA -1.323 61.074 62.300 0.161 0.000 0.925 301 V CB 1.662 33.534 31.823 0.082 0.000 1.037 301 V HN 0.864 nan 8.190 nan 0.000 0.433 302 Q N 4.437 124.355 119.800 0.196 0.000 2.475 302 Q HA -0.250 4.090 4.340 -0.000 0.000 0.280 302 Q C 0.764 176.895 176.000 0.219 0.000 1.234 302 Q CA 0.834 56.740 55.803 0.173 0.000 0.873 302 Q CB -1.043 27.772 28.738 0.128 0.000 1.256 302 Q HN 0.851 nan 8.270 nan 0.000 0.475 303 R N -3.093 117.606 120.500 0.332 0.000 4.000 303 R HA -0.201 4.139 4.340 -0.000 0.000 0.362 303 R C -0.554 176.058 176.300 0.521 0.000 1.183 303 R CA 1.067 57.427 56.100 0.433 0.000 1.011 303 R CB -1.821 28.585 30.300 0.177 0.000 1.501 303 R HN 0.195 nan 8.270 nan 0.000 0.553 304 V N 2.302 122.470 119.914 0.422 0.000 2.333 304 V HA 0.207 4.327 4.120 -0.000 0.000 0.274 304 V C 0.244 176.425 176.094 0.145 0.000 1.028 304 V CA -0.622 61.861 62.300 0.305 0.000 0.851 304 V CB 0.782 32.723 31.823 0.197 0.000 1.000 304 V HN 0.165 nan 8.190 nan 0.000 0.456 305 F N 6.166 126.040 119.950 -0.128 0.000 2.607 305 F HA 0.175 4.702 4.527 -0.000 0.000 0.374 305 F C 0.683 176.153 175.800 -0.549 0.000 1.104 305 F CA 0.609 58.140 58.000 -0.783 0.000 1.296 305 F CB 0.364 39.006 39.000 -0.596 0.000 1.085 305 F HN 0.450 nan 8.300 nan 0.000 0.584 306 I N 4.186 123.693 120.570 -1.772 0.000 3.809 306 I HA 0.136 4.306 4.170 -0.000 0.000 0.245 306 I C 0.127 175.055 176.117 -1.980 0.000 1.119 306 I CA -0.179 60.142 61.300 -1.632 0.000 1.597 306 I CB 0.302 37.843 38.000 -0.764 0.000 1.605 306 I HN 0.643 nan 8.210 nan 0.000 0.441 307 M N -1.099 117.712 119.600 -1.315 0.000 2.719 307 M HA 0.613 5.093 4.480 -0.000 0.000 0.291 307 M C -1.722 174.324 176.300 -0.424 0.000 1.264 307 M CA -0.624 54.197 55.300 -0.797 0.000 0.811 307 M CB 2.317 34.657 32.600 -0.433 0.000 1.756 307 M HN -0.178 nan 8.290 nan 0.000 0.464 308 D N -0.800 119.501 120.400 -0.166 0.000 2.553 308 D HA 0.369 5.009 4.640 -0.000 0.000 0.249 308 D C -1.024 175.213 176.300 -0.105 0.000 1.062 308 D CA 0.283 54.248 54.000 -0.057 0.000 1.085 308 D CB 1.164 41.979 40.800 0.025 0.000 1.350 308 D HN 0.833 nan 8.370 nan 0.000 0.575 309 D N -0.084 120.250 120.400 -0.111 0.000 2.733 309 D HA -0.192 4.447 4.640 -0.000 0.000 0.228 309 D C -0.744 175.447 176.300 -0.183 0.000 1.182 309 D CA 0.715 54.618 54.000 -0.161 0.000 0.620 309 D CB -1.267 39.433 40.800 -0.167 0.000 1.027 309 D HN 0.354 nan 8.370 nan 0.000 0.415 310 A N 1.318 124.063 122.820 -0.124 0.000 2.671 310 A HA 0.205 4.525 4.320 -0.000 0.000 0.306 310 A C 1.620 179.193 177.584 -0.019 0.000 1.473 310 A CA -0.378 51.631 52.037 -0.047 0.000 1.155 310 A CB 0.330 19.364 19.000 0.057 0.000 1.123 310 A HN 0.175 nan 8.150 nan 0.000 0.545 311 E N 2.077 122.185 120.200 -0.154 0.000 2.409 311 E HA -0.160 4.190 4.350 -0.000 0.000 0.198 311 E C 0.023 176.611 176.600 -0.020 0.000 1.024 311 E CA 0.606 56.914 56.400 -0.153 0.000 0.861 311 E CB -0.076 29.397 29.700 -0.378 0.000 0.788 311 E HN 0.651 nan 8.360 nan 0.000 0.521 312 Q N -0.054 119.727 119.800 -0.031 0.000 2.283 312 Q HA 0.118 4.458 4.340 -0.000 0.000 0.223 312 Q C -0.276 175.517 176.000 -0.345 0.000 0.918 312 Q CA 0.218 55.912 55.803 -0.181 0.000 0.952 312 Q CB -0.674 27.885 28.738 -0.298 0.000 1.030 312 Q HN 0.357 nan 8.270 nan 0.000 0.452 313 F N -1.340 118.543 119.950 -0.113 0.000 2.899 313 F HA 0.302 4.829 4.527 -0.000 0.000 0.337 313 F C 0.143 175.860 175.800 -0.138 0.000 1.129 313 F CA -0.154 57.769 58.000 -0.128 0.000 1.128 313 F CB 0.934 39.849 39.000 -0.142 0.000 1.154 313 F HN -0.025 nan 8.300 nan 0.000 0.531 314 M N 2.509 122.124 119.600 0.025 0.000 2.224 314 M HA 0.356 4.836 4.480 -0.000 0.000 0.281 314 M C -2.792 173.442 176.300 -0.111 0.000 1.025 314 M CA -2.027 53.225 55.300 -0.079 0.000 0.954 314 M CB 2.319 34.858 32.600 -0.102 0.000 1.639 314 M HN -0.241 nan 8.290 nan 0.000 0.461 315 P HA 0.057 nan 4.420 nan 0.000 0.269 315 P C 0.515 177.691 177.300 -0.206 0.000 1.209 315 P CA 0.053 63.054 63.100 -0.165 0.000 0.776 315 P CB 0.835 32.410 31.700 -0.207 0.000 0.876 316 N N 2.627 121.295 118.700 -0.054 0.000 2.049 316 N HA -0.253 4.487 4.740 -0.000 0.000 0.198 316 N C 1.501 176.991 175.510 -0.033 0.000 1.030 316 N CA 1.810 54.846 53.050 -0.024 0.000 0.870 316 N CB -0.815 37.707 38.487 0.059 0.000 1.045 316 N HN 0.617 nan 8.380 nan 0.000 0.434 317 Y N -0.035 120.296 120.300 0.052 0.000 2.715 317 Y HA 0.195 4.745 4.550 -0.000 0.000 0.332 317 Y C 0.933 176.912 175.900 0.130 0.000 1.213 317 Y CA 0.317 58.483 58.100 0.110 0.000 1.304 317 Y CB -0.520 38.019 38.460 0.131 0.000 1.041 317 Y HN 0.078 nan 8.280 nan 0.000 0.502 318 L N -0.275 120.721 121.223 -0.379 0.000 3.429 318 L HA 0.306 4.646 4.340 -0.000 0.000 0.311 318 L C 1.432 177.935 176.870 -0.611 0.000 1.274 318 L CA -0.335 54.128 54.840 -0.628 0.000 1.037 318 L CB 0.194 41.816 42.059 -0.729 0.000 1.433 318 L HN 0.064 nan 8.230 nan 0.000 0.614 319 R N 1.181 121.518 120.500 -0.271 0.000 2.133 319 R HA -0.259 4.081 4.340 -0.000 0.000 0.245 319 R C 2.026 178.215 176.300 -0.185 0.000 1.137 319 R CA 2.542 58.535 56.100 -0.177 0.000 0.947 319 R CB -1.038 29.140 30.300 -0.203 0.000 0.865 319 R HN 0.447 nan 8.270 nan 0.000 0.437 320 F N 0.708 120.566 119.950 -0.154 0.000 2.354 320 F HA -0.101 4.426 4.527 -0.000 0.000 0.300 320 F C 0.407 176.059 175.800 -0.246 0.000 1.052 320 F CA -0.116 57.724 58.000 -0.268 0.000 1.425 320 F CB -0.913 37.688 39.000 -0.665 0.000 1.095 320 F HN -0.236 nan 8.300 nan 0.000 0.560 321 V N 1.865 121.381 119.914 -0.665 0.000 3.185 321 V HA 0.336 4.456 4.120 -0.000 0.000 0.305 321 V C 0.416 176.447 176.094 -0.104 0.000 1.090 321 V CA -0.697 61.366 62.300 -0.395 0.000 1.107 321 V CB 0.990 32.542 31.823 -0.452 0.000 1.061 321 V HN 0.276 nan 8.190 nan 0.000 0.480 322 R N 0.569 121.083 120.500 0.023 0.000 2.710 322 R HA 0.733 5.073 4.340 -0.000 0.000 0.270 322 R C -0.186 176.220 176.300 0.177 0.000 1.021 322 R CA 0.037 56.198 56.100 0.101 0.000 0.889 322 R CB 2.013 32.451 30.300 0.230 0.000 1.243 322 R HN 1.182 nan 8.270 nan 0.000 0.464 323 G N 0.454 109.319 108.800 0.108 0.000 2.359 323 G HA2 0.201 4.161 3.960 -0.000 0.000 0.303 323 G HA3 0.201 4.161 3.960 -0.000 0.000 0.303 323 G C -1.628 173.256 174.900 -0.026 0.000 1.293 323 G CA -0.556 44.642 45.100 0.163 0.000 0.964 323 G HN 0.466 nan 8.290 nan 0.000 0.531 324 L N -1.828 119.347 121.223 -0.080 0.000 2.421 324 L HA 0.994 5.334 4.340 -0.000 0.000 0.267 324 L C 0.150 176.858 176.870 -0.269 0.000 1.036 324 L CA -1.406 53.295 54.840 -0.231 0.000 0.829 324 L CB 1.149 42.926 42.059 -0.470 0.000 1.437 324 L HN 0.699 nan 8.230 nan 0.000 0.488 325 I N 0.240 120.625 120.570 -0.308 0.000 2.599 325 I HA 0.213 4.383 4.170 -0.000 0.000 0.285 325 I C -1.491 174.544 176.117 -0.137 0.000 1.168 325 I CA -0.138 61.016 61.300 -0.242 0.000 1.060 325 I CB 1.843 39.586 38.000 -0.429 0.000 1.249 325 I HN 0.649 nan 8.210 nan 0.000 0.442 326 D N 4.715 125.107 120.400 -0.014 0.000 2.639 326 D HA 0.136 4.776 4.640 -0.000 0.000 0.233 326 D C 0.424 176.852 176.300 0.213 0.000 1.161 326 D CA 0.264 54.370 54.000 0.176 0.000 1.003 326 D CB 0.604 41.678 40.800 0.457 0.000 1.034 326 D HN 0.430 nan 8.370 nan 0.000 0.514 327 S N 0.866 116.658 115.700 0.153 0.000 2.580 327 S HA 0.200 4.670 4.470 -0.000 0.000 0.266 327 S C 0.935 175.635 174.600 0.167 0.000 1.354 327 S CA -0.081 58.226 58.200 0.179 0.000 1.008 327 S CB 0.927 64.204 63.200 0.129 0.000 0.898 327 S HN 0.223 nan 8.310 nan 0.000 0.555 328 S N 0.462 116.256 115.700 0.157 0.000 2.744 328 S HA 0.197 4.667 4.470 -0.000 0.000 0.265 328 S C 0.357 175.021 174.600 0.105 0.000 1.065 328 S CA -0.475 57.799 58.200 0.124 0.000 1.191 328 S CB 0.232 63.499 63.200 0.112 0.000 1.150 328 S HN 0.753 nan 8.310 nan 0.000 0.646 329 D N 1.438 121.908 120.400 0.117 0.000 2.305 329 D HA 0.146 4.786 4.640 -0.000 0.000 0.206 329 D C 0.501 176.849 176.300 0.080 0.000 0.974 329 D CA 0.409 54.466 54.000 0.095 0.000 0.871 329 D CB 0.296 41.159 40.800 0.105 0.000 0.947 329 D HN 0.329 nan 8.370 nan 0.000 0.516 330 L N 2.887 124.164 121.223 0.091 0.000 2.395 330 L HA 0.246 4.586 4.340 -0.000 0.000 0.269 330 L C -1.950 174.958 176.870 0.063 0.000 1.133 330 L CA -1.587 53.298 54.840 0.076 0.000 0.812 330 L CB 0.592 42.711 42.059 0.099 0.000 1.125 330 L HN -0.193 nan 8.230 nan 0.000 0.452 331 P HA 0.003 nan 4.420 nan 0.000 0.271 331 P C 0.645 177.973 177.300 0.047 0.000 1.216 331 P CA -0.310 62.815 63.100 0.042 0.000 0.776 331 P CB 1.291 33.009 31.700 0.029 0.000 0.881 332 L N 2.531 123.784 121.223 0.050 0.000 2.447 332 L HA -0.117 4.223 4.340 -0.000 0.000 0.225 332 L C 1.195 178.101 176.870 0.061 0.000 1.148 332 L CA 1.072 55.948 54.840 0.059 0.000 0.808 332 L CB -0.312 41.784 42.059 0.061 0.000 0.928 332 L HN 0.344 nan 8.230 nan 0.000 0.448 333 N N -0.519 118.208 118.700 0.044 0.000 2.276 333 N HA 0.069 4.809 4.740 -0.000 0.000 0.212 333 N C -0.074 175.458 175.510 0.038 0.000 1.127 333 N CA -0.041 53.032 53.050 0.039 0.000 0.834 333 N CB 0.421 38.919 38.487 0.019 0.000 1.014 333 N HN 0.055 nan 8.380 nan 0.000 0.491 334 V N 1.757 121.693 119.914 0.037 0.000 2.584 334 V HA -0.082 4.038 4.120 -0.000 0.000 0.303 334 V C 0.799 176.905 176.094 0.019 0.000 1.035 334 V CA 0.637 62.950 62.300 0.022 0.000 1.172 334 V CB 0.248 32.085 31.823 0.023 0.000 0.896 334 V HN 0.188 nan 8.190 nan 0.000 0.486 335 S N 3.932 119.636 115.700 0.006 0.000 2.739 335 S HA 0.498 4.968 4.470 -0.000 0.000 0.306 335 S C 0.876 175.466 174.600 -0.018 0.000 1.115 335 S CA -0.852 57.349 58.200 0.003 0.000 0.985 335 S CB 1.707 64.908 63.200 0.002 0.000 1.133 335 S HN 0.720 nan 8.310 nan 0.000 0.541 336 R N 1.006 121.493 120.500 -0.021 0.000 2.115 336 R HA 0.026 4.366 4.340 -0.000 0.000 0.226 336 R C 1.693 177.970 176.300 -0.039 0.000 1.100 336 R CA 1.623 57.701 56.100 -0.036 0.000 0.980 336 R CB -0.320 29.960 30.300 -0.033 0.000 0.875 336 R HN 0.749 nan 8.270 nan 0.000 0.445 337 E N -0.082 120.100 120.200 -0.029 0.000 2.008 337 E HA -0.136 4.214 4.350 -0.000 0.000 0.191 337 E C 1.998 178.576 176.600 -0.038 0.000 0.986 337 E CA 1.443 57.825 56.400 -0.030 0.000 0.807 337 E CB -0.199 29.488 29.700 -0.020 0.000 0.766 337 E HN 0.251 nan 8.360 nan 0.000 0.450 338 I N 1.538 122.089 120.570 -0.031 0.000 2.093 338 I HA -0.401 3.769 4.170 -0.000 0.000 0.239 338 I C 2.630 178.712 176.117 -0.059 0.000 1.026 338 I CA 1.406 62.685 61.300 -0.035 0.000 1.295 338 I CB -0.546 37.441 38.000 -0.022 0.000 1.007 338 I HN 0.203 nan 8.210 nan 0.000 0.401 339 L N -0.014 121.165 121.223 -0.072 0.000 2.034 339 L HA -0.360 3.980 4.340 -0.000 0.000 0.217 339 L C 2.737 179.506 176.870 -0.168 0.000 1.077 339 L CA 2.003 56.763 54.840 -0.133 0.000 0.769 339 L CB -0.607 41.366 42.059 -0.143 0.000 0.890 339 L HN 0.455 nan 8.230 nan 0.000 0.435 340 Q N -0.115 119.611 119.800 -0.125 0.000 2.084 340 Q HA -0.213 4.127 4.340 -0.000 0.000 0.202 340 Q C 0.355 176.297 176.000 -0.096 0.000 0.978 340 Q CA 1.731 57.465 55.803 -0.116 0.000 0.844 340 Q CB 0.165 28.856 28.738 -0.079 0.000 0.898 340 Q HN 0.372 nan 8.270 nan 0.000 0.426 341 D N 0.481 120.836 120.400 -0.074 0.000 3.168 341 D HA 0.178 4.818 4.640 -0.000 0.000 0.255 341 D C -1.420 174.844 176.300 -0.060 0.000 1.314 341 D CA -0.016 53.949 54.000 -0.058 0.000 0.900 341 D CB 0.618 41.395 40.800 -0.039 0.000 1.072 341 D HN -0.015 nan 8.370 nan 0.000 0.487 342 S N -1.354 114.294 115.700 -0.086 0.000 2.536 342 S HA 0.388 4.858 4.470 -0.000 0.000 0.298 342 S C 1.147 175.696 174.600 -0.085 0.000 1.083 342 S CA -0.595 57.556 58.200 -0.082 0.000 0.995 342 S CB 1.540 64.678 63.200 -0.103 0.000 1.058 342 S HN 0.100 nan 8.310 nan 0.000 0.488 343 T N 2.673 117.192 114.554 -0.058 0.000 3.010 343 T HA 0.020 4.370 4.350 -0.000 0.000 0.252 343 T C 1.793 176.463 174.700 -0.050 0.000 1.047 343 T CA 0.802 62.873 62.100 -0.047 0.000 1.140 343 T CB -0.136 68.718 68.868 -0.024 0.000 0.885 343 T HN 0.464 nan 8.240 nan 0.000 0.464 344 V N 2.209 122.099 119.914 -0.041 0.000 2.720 344 V HA -0.154 3.966 4.120 -0.000 0.000 0.256 344 V C 2.548 178.604 176.094 -0.064 0.000 1.082 344 V CA 1.668 63.954 62.300 -0.023 0.000 1.101 344 V CB -1.225 30.604 31.823 0.010 0.000 0.693 344 V HN 0.525 nan 8.190 nan 0.000 0.479 345 T N -0.291 114.174 114.554 -0.149 0.000 2.684 345 T HA -0.144 4.206 4.350 -0.000 0.000 0.253 345 T C 2.033 176.594 174.700 -0.232 0.000 1.057 345 T CA 1.323 63.229 62.100 -0.323 0.000 1.162 345 T CB -0.262 68.342 68.868 -0.440 0.000 0.868 345 T HN 0.328 nan 8.240 nan 0.000 0.409 346 R N 1.080 121.476 120.500 -0.172 0.000 2.153 346 R HA -0.205 4.135 4.340 -0.000 0.000 0.252 346 R C 2.110 178.362 176.300 -0.080 0.000 1.158 346 R CA 1.737 57.768 56.100 -0.115 0.000 0.975 346 R CB -0.247 30.005 30.300 -0.080 0.000 0.871 346 R HN 0.256 nan 8.270 nan 0.000 0.450 347 N N 0.380 119.043 118.700 -0.063 0.000 2.051 347 N HA -0.147 4.593 4.740 -0.000 0.000 0.192 347 N C 1.690 177.175 175.510 -0.041 0.000 1.049 347 N CA 1.010 54.041 53.050 -0.031 0.000 0.845 347 N CB -0.537 37.946 38.487 -0.006 0.000 1.031 347 N HN 0.070 nan 8.380 nan 0.000 0.425 348 L N 2.011 123.199 121.223 -0.058 0.000 2.021 348 L HA -0.182 4.158 4.340 -0.000 0.000 0.215 348 L C 2.470 179.299 176.870 -0.069 0.000 1.074 348 L CA 1.477 56.252 54.840 -0.109 0.000 0.760 348 L CB -0.738 41.312 42.059 -0.016 0.000 0.889 348 L HN 0.227 nan 8.230 nan 0.000 0.433 349 R N -0.434 120.036 120.500 -0.050 0.000 2.132 349 R HA -0.242 4.098 4.340 -0.000 0.000 0.233 349 R C 2.090 178.364 176.300 -0.043 0.000 1.125 349 R CA 2.295 58.367 56.100 -0.046 0.000 0.914 349 R CB -0.400 29.839 30.300 -0.101 0.000 0.845 349 R HN 0.468 nan 8.270 nan 0.000 0.431 350 N N 0.353 119.030 118.700 -0.039 0.000 2.166 350 N HA -0.160 4.580 4.740 -0.000 0.000 0.186 350 N C 1.683 177.190 175.510 -0.004 0.000 1.019 350 N CA 1.453 54.491 53.050 -0.020 0.000 0.856 350 N CB -0.410 38.066 38.487 -0.019 0.000 0.993 350 N HN 0.419 nan 8.380 nan 0.000 0.426 351 A N 1.120 123.937 122.820 -0.005 0.000 1.972 351 A HA -0.044 4.275 4.320 -0.000 0.000 0.219 351 A C 2.345 179.947 177.584 0.030 0.000 1.169 351 A CA 0.910 52.965 52.037 0.030 0.000 0.635 351 A CB -0.491 18.539 19.000 0.050 0.000 0.810 351 A HN 0.198 nan 8.150 nan 0.000 0.446 352 L N -1.578 119.630 121.223 -0.024 0.000 2.202 352 L HA -0.064 4.276 4.340 -0.000 0.000 0.205 352 L C 2.681 179.538 176.870 -0.021 0.000 1.083 352 L CA 1.233 56.059 54.840 -0.024 0.000 0.790 352 L CB -0.686 41.331 42.059 -0.069 0.000 0.942 352 L HN 0.294 nan 8.230 nan 0.000 0.452 353 T N 0.124 114.660 114.554 -0.030 0.000 2.653 353 T HA -0.276 4.074 4.350 -0.000 0.000 0.268 353 T C 1.893 176.608 174.700 0.024 0.000 1.035 353 T CA 1.624 63.707 62.100 -0.029 0.000 1.154 353 T CB -0.126 68.741 68.868 -0.002 0.000 0.862 353 T HN 0.263 nan 8.240 nan 0.000 0.441 354 K N 0.411 120.835 120.400 0.039 0.000 2.057 354 K HA 0.008 4.328 4.320 -0.000 0.000 0.207 354 K C 2.614 179.241 176.600 0.044 0.000 1.049 354 K CA 0.954 57.274 56.287 0.054 0.000 0.931 354 K CB -0.150 32.380 32.500 0.050 0.000 0.714 354 K HN 0.193 nan 8.250 nan 0.000 0.440 355 R N 0.516 121.038 120.500 0.036 0.000 2.159 355 R HA -0.117 4.223 4.340 -0.000 0.000 0.237 355 R C 2.116 178.421 176.300 0.008 0.000 1.131 355 R CA 0.986 57.103 56.100 0.029 0.000 0.982 355 R CB -0.179 30.151 30.300 0.049 0.000 0.868 355 R HN 0.054 nan 8.270 nan 0.000 0.453 356 V N 0.900 120.814 119.914 -0.000 0.000 2.407 356 V HA -0.161 3.959 4.120 -0.000 0.000 0.245 356 V C 2.198 178.311 176.094 0.032 0.000 1.041 356 V CA 1.292 63.585 62.300 -0.012 0.000 1.040 356 V CB -0.248 31.538 31.823 -0.062 0.000 0.671 356 V HN 0.263 nan 8.190 nan 0.000 0.455 357 L N -0.415 120.851 121.223 0.071 0.000 2.056 357 L HA -0.221 4.119 4.340 -0.000 0.000 0.207 357 L C 2.661 179.565 176.870 0.056 0.000 1.078 357 L CA 1.625 56.528 54.840 0.106 0.000 0.749 357 L CB -0.703 41.436 42.059 0.133 0.000 0.901 357 L HN 0.367 nan 8.230 nan 0.000 0.433 358 Q N -0.424 119.396 119.800 0.032 0.000 2.084 358 Q HA -0.254 4.086 4.340 -0.000 0.000 0.202 358 Q C 2.267 178.253 176.000 -0.023 0.000 0.978 358 Q CA 1.797 57.603 55.803 0.006 0.000 0.844 358 Q CB -0.221 28.520 28.738 0.005 0.000 0.898 358 Q HN 0.500 nan 8.270 nan 0.000 0.426 359 M N 0.491 120.073 119.600 -0.031 0.000 2.117 359 M HA -0.170 4.309 4.480 -0.000 0.000 0.262 359 M C 1.793 178.050 176.300 -0.072 0.000 1.065 359 M CA 1.415 56.675 55.300 -0.068 0.000 1.114 359 M CB 0.090 32.647 32.600 -0.071 0.000 1.361 359 M HN 0.191 nan 8.290 nan 0.000 0.408 360 L N -0.171 121.027 121.223 -0.041 0.000 2.056 360 L HA -0.189 4.151 4.340 -0.000 0.000 0.207 360 L C 2.456 179.303 176.870 -0.039 0.000 1.078 360 L CA 1.277 56.106 54.840 -0.019 0.000 0.749 360 L CB -0.676 41.411 42.059 0.047 0.000 0.901 360 L HN 0.318 nan 8.230 nan 0.000 0.433 361 E N 0.790 120.964 120.200 -0.044 0.000 2.058 361 E HA -0.275 4.075 4.350 -0.000 0.000 0.194 361 E C 2.114 178.640 176.600 -0.125 0.000 0.997 361 E CA 1.547 57.894 56.400 -0.089 0.000 0.801 361 E CB -0.056 29.623 29.700 -0.035 0.000 0.746 361 E HN 0.182 nan 8.360 nan 0.000 0.450 362 K N -0.427 119.916 120.400 -0.095 0.000 2.103 362 K HA -0.181 4.139 4.320 -0.000 0.000 0.207 362 K C 2.082 178.611 176.600 -0.118 0.000 1.048 362 K CA 1.270 57.495 56.287 -0.103 0.000 0.930 362 K CB -0.239 32.199 32.500 -0.104 0.000 0.716 362 K HN 0.164 nan 8.250 nan 0.000 0.444 363 L N 0.977 122.135 121.223 -0.108 0.000 1.973 363 L HA -0.059 4.281 4.340 -0.000 0.000 0.208 363 L C 2.233 179.055 176.870 -0.080 0.000 1.073 363 L CA 2.208 57.013 54.840 -0.059 0.000 0.746 363 L CB -1.022 41.058 42.059 0.036 0.000 0.891 363 L HN 0.210 nan 8.230 nan 0.000 0.433 364 A N -0.854 121.778 122.820 -0.312 0.000 2.093 364 A HA -0.281 4.039 4.320 -0.000 0.000 0.222 364 A C 2.247 179.669 177.584 -0.270 0.000 1.162 364 A CA 2.255 53.914 52.037 -0.630 0.000 0.655 364 A CB -0.593 17.622 19.000 -1.309 0.000 0.805 364 A HN 0.617 nan 8.150 nan 0.000 0.461 365 K N -0.954 119.335 120.400 -0.185 0.000 2.099 365 K HA -0.016 4.304 4.320 -0.000 0.000 0.203 365 K C 1.513 178.069 176.600 -0.073 0.000 1.047 365 K CA 1.291 57.510 56.287 -0.113 0.000 0.963 365 K CB -0.195 32.247 32.500 -0.097 0.000 0.759 365 K HN 0.393 nan 8.250 nan 0.000 0.451 366 D N 0.532 120.889 120.400 -0.072 0.000 2.117 366 D HA -0.096 4.544 4.640 -0.000 0.000 0.198 366 D C -0.106 176.176 176.300 -0.029 0.000 0.982 366 D CA 1.218 55.185 54.000 -0.055 0.000 0.828 366 D CB 0.167 40.921 40.800 -0.077 0.000 0.967 366 D HN 0.050 nan 8.370 nan 0.000 0.464 367 D N -1.681 118.714 120.400 -0.008 0.000 2.386 367 D HA 0.457 5.097 4.640 -0.000 0.000 0.247 367 D C 0.176 176.527 176.300 0.085 0.000 1.336 367 D CA -0.314 53.703 54.000 0.029 0.000 0.976 367 D CB 1.167 41.983 40.800 0.026 0.000 1.257 367 D HN -0.028 nan 8.370 nan 0.000 0.570 368 A N 3.383 126.249 122.820 0.076 0.000 1.929 368 A HA -0.132 4.188 4.320 -0.000 0.000 0.216 368 A C 1.721 179.402 177.584 0.161 0.000 1.176 368 A CA 1.219 53.331 52.037 0.125 0.000 0.628 368 A CB -0.366 18.675 19.000 0.068 0.000 0.816 368 A HN 0.704 nan 8.150 nan 0.000 0.444 369 E N 0.272 120.537 120.200 0.108 0.000 2.153 369 E HA -0.209 4.141 4.350 -0.000 0.000 0.194 369 E C 1.823 178.492 176.600 0.116 0.000 0.988 369 E CA 1.305 57.764 56.400 0.098 0.000 0.811 369 E CB -0.252 29.489 29.700 0.069 0.000 0.746 369 E HN 0.576 nan 8.360 nan 0.000 0.466 370 K N 0.016 120.492 120.400 0.127 0.000 2.076 370 K HA -0.105 4.215 4.320 -0.000 0.000 0.204 370 K C 2.019 178.733 176.600 0.190 0.000 1.051 370 K CA 0.979 57.345 56.287 0.132 0.000 0.949 370 K CB -0.211 32.352 32.500 0.105 0.000 0.726 370 K HN 0.081 nan 8.250 nan 0.000 0.443 371 Y N 2.133 122.510 120.300 0.129 0.000 2.224 371 Y HA -0.251 4.299 4.550 -0.000 0.000 0.289 371 Y C 2.331 178.411 175.900 0.300 0.000 1.146 371 Y CA 1.498 59.728 58.100 0.216 0.000 1.182 371 Y CB 0.074 38.617 38.460 0.138 0.000 0.983 371 Y HN 0.067 nan 8.280 nan 0.000 0.524 372 Q N -0.592 119.354 119.800 0.243 0.000 2.170 372 Q HA -0.151 4.189 4.340 -0.000 0.000 0.203 372 Q C 2.214 178.276 176.000 0.102 0.000 0.976 372 Q CA 1.949 57.861 55.803 0.183 0.000 0.858 372 Q CB -0.771 28.054 28.738 0.145 0.000 0.907 372 Q HN 0.470 nan 8.270 nan 0.000 0.433 373 T N 1.119 115.723 114.554 0.084 0.000 2.674 373 T HA -0.140 4.210 4.350 -0.000 0.000 0.265 373 T C 1.480 176.160 174.700 -0.033 0.000 1.039 373 T CA 1.254 63.371 62.100 0.028 0.000 1.150 373 T CB -0.520 68.384 68.868 0.060 0.000 0.864 373 T HN 0.312 nan 8.240 nan 0.000 0.427 374 F N 1.173 121.056 119.950 -0.111 0.000 2.063 374 F HA -0.204 4.323 4.527 -0.000 0.000 0.298 374 F C 2.274 177.933 175.800 -0.234 0.000 1.109 374 F CA 1.514 59.423 58.000 -0.150 0.000 1.212 374 F CB -0.585 38.241 39.000 -0.290 0.000 0.973 374 F HN 0.301 nan 8.300 nan 0.000 0.480 375 W N 1.738 122.680 121.300 -0.597 0.000 2.318 375 W HA -0.286 4.374 4.660 -0.000 0.000 0.313 375 W C 2.253 178.487 176.519 -0.476 0.000 1.221 375 W CA 2.374 59.364 57.345 -0.592 0.000 1.266 375 W CB -0.606 28.689 29.460 -0.274 0.000 1.150 375 W HN 0.294 nan 8.180 nan 0.000 0.496 376 Q N -0.224 119.331 119.800 -0.407 0.000 2.030 376 Q HA -0.283 4.057 4.340 -0.000 0.000 0.204 376 Q C 2.250 177.913 176.000 -0.562 0.000 0.986 376 Q CA 1.620 57.186 55.803 -0.394 0.000 0.843 376 Q CB -0.756 27.863 28.738 -0.198 0.000 0.904 376 Q HN 0.263 nan 8.270 nan 0.000 0.420 377 Q N 0.059 119.462 119.800 -0.662 0.000 2.050 377 Q HA -0.082 4.258 4.340 -0.000 0.000 0.202 377 Q C 1.042 176.299 176.000 -1.238 0.000 0.980 377 Q CA 1.357 56.587 55.803 -0.955 0.000 0.840 377 Q CB -0.009 27.989 28.738 -1.233 0.000 0.898 377 Q HN 0.414 nan 8.270 nan 0.000 0.424 378 F N -0.409 119.028 119.950 -0.855 0.000 2.963 378 F HA 0.380 4.907 4.527 -0.000 0.000 0.321 378 F C 1.517 176.632 175.800 -1.141 0.000 1.234 378 F CA -0.386 57.022 58.000 -0.986 0.000 1.296 378 F CB 0.254 38.417 39.000 -1.395 0.000 0.981 378 F HN -0.004 nan 8.300 nan 0.000 0.507 379 G N 0.567 108.717 108.800 -1.084 0.000 2.434 379 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.214 379 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.214 379 G C 1.381 175.835 174.900 -0.743 0.000 1.202 379 G CA 0.605 44.787 45.100 -1.530 0.000 0.788 379 G HN 0.252 nan 8.290 nan 0.000 0.539 380 L N 0.760 121.785 121.223 -0.330 0.000 2.549 380 L HA 0.110 4.450 4.340 -0.000 0.000 0.229 380 L C 2.512 179.451 176.870 0.115 0.000 1.158 380 L CA 0.408 55.214 54.840 -0.058 0.000 0.842 380 L CB -0.148 41.898 42.059 -0.022 0.000 0.952 380 L HN 0.078 nan 8.230 nan 0.000 0.452 381 V N -1.329 118.642 119.914 0.095 0.000 2.725 381 V HA -0.061 4.059 4.120 -0.000 0.000 0.247 381 V C 2.030 178.284 176.094 0.268 0.000 1.058 381 V CA 0.704 63.133 62.300 0.216 0.000 1.080 381 V CB 0.137 32.072 31.823 0.188 0.000 0.713 381 V HN 0.305 nan 8.190 nan 0.000 0.465 382 L N -0.257 121.070 121.223 0.173 0.000 2.270 382 L HA 0.050 4.390 4.340 -0.000 0.000 0.210 382 L C 2.228 179.234 176.870 0.227 0.000 1.104 382 L CA 1.699 56.733 54.840 0.323 0.000 0.804 382 L CB -0.465 41.785 42.059 0.317 0.000 0.937 382 L HN 0.164 nan 8.230 nan 0.000 0.450 383 K N -0.004 120.490 120.400 0.158 0.000 2.097 383 K HA -0.151 4.169 4.320 -0.000 0.000 0.205 383 K C 1.489 178.167 176.600 0.129 0.000 1.050 383 K CA 1.545 57.923 56.287 0.151 0.000 0.938 383 K CB -0.110 32.477 32.500 0.145 0.000 0.718 383 K HN 0.536 nan 8.250 nan 0.000 0.442 384 E N 0.496 120.809 120.200 0.188 0.000 2.526 384 E HA -0.038 4.312 4.350 -0.000 0.000 0.198 384 E C 1.520 178.199 176.600 0.131 0.000 1.091 384 E CA 0.431 56.987 56.400 0.260 0.000 0.880 384 E CB -0.025 29.844 29.700 0.282 0.000 0.873 384 E HN 0.264 nan 8.360 nan 0.000 0.527 385 G N 3.245 112.036 108.800 -0.015 0.000 2.556 385 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.215 385 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.215 385 G C -0.793 173.835 174.900 -0.453 0.000 1.258 385 G CA 0.305 45.129 45.100 -0.460 0.000 0.811 385 G HN 0.299 nan 8.290 nan 0.000 0.557 386 P HA 0.241 nan 4.420 nan 0.000 0.277 386 P C -0.021 177.123 177.300 -0.260 0.000 1.617 386 P CA 0.815 63.801 63.100 -0.190 0.000 0.829 386 P CB 0.137 31.784 31.700 -0.088 0.000 1.774 387 A N -0.276 122.298 122.820 -0.411 0.000 2.551 387 A HA 0.210 4.530 4.320 -0.000 0.000 0.252 387 A C 1.097 178.414 177.584 -0.446 0.000 1.199 387 A CA -0.057 51.368 52.037 -1.020 0.000 0.972 387 A CB 0.218 18.492 19.000 -1.210 0.000 1.153 387 A HN 0.263 nan 8.150 nan 0.000 0.559 388 E N -0.029 120.126 120.200 -0.075 0.000 2.866 388 E HA 0.024 4.374 4.350 -0.000 0.000 0.149 388 E C -1.414 175.249 176.600 0.104 0.000 0.884 388 E CA 0.098 56.563 56.400 0.110 0.000 1.393 388 E CB 0.411 30.200 29.700 0.148 0.000 0.986 388 E HN 0.220 nan 8.360 nan 0.000 0.440 389 D N 0.283 120.712 120.400 0.048 0.000 3.250 389 D HA 0.017 4.657 4.640 -0.000 0.000 0.252 389 D C 0.397 176.646 176.300 -0.085 0.000 1.342 389 D CA -0.275 53.690 54.000 -0.058 0.000 0.807 389 D CB -0.487 40.339 40.800 0.043 0.000 1.449 389 D HN 0.227 nan 8.370 nan 0.000 0.610 390 F N 0.428 120.397 119.950 0.031 0.000 2.546 390 F HA 0.204 4.731 4.527 -0.000 0.000 0.298 390 F C 2.006 177.831 175.800 0.043 0.000 1.120 390 F CA 0.595 58.614 58.000 0.033 0.000 1.456 390 F CB -0.657 38.371 39.000 0.047 0.000 1.088 390 F HN 0.166 nan 8.300 nan 0.000 0.572 391 A N 1.860 124.404 122.820 -0.460 0.000 1.881 391 A HA -0.287 4.033 4.320 -0.000 0.000 0.219 391 A C 1.854 179.428 177.584 -0.018 0.000 1.215 391 A CA 2.217 54.109 52.037 -0.243 0.000 0.648 391 A CB -1.000 17.851 19.000 -0.248 0.000 0.832 391 A HN 0.574 nan 8.150 nan 0.000 0.455 392 N N -0.672 118.033 118.700 0.008 0.000 2.279 392 N HA 0.033 4.773 4.740 -0.000 0.000 0.226 392 N C 1.295 176.857 175.510 0.087 0.000 1.126 392 N CA 0.434 53.522 53.050 0.063 0.000 0.846 392 N CB 0.406 38.944 38.487 0.085 0.000 1.050 392 N HN 0.750 nan 8.380 nan 0.000 0.502 393 Q N 1.399 121.260 119.800 0.102 0.000 2.197 393 Q HA -0.242 4.098 4.340 -0.000 0.000 0.211 393 Q C 1.650 177.741 176.000 0.153 0.000 0.993 393 Q CA 1.657 57.532 55.803 0.121 0.000 0.883 393 Q CB 0.156 28.992 28.738 0.164 0.000 0.916 393 Q HN 0.428 nan 8.270 nan 0.000 0.418 394 E N -0.753 119.542 120.200 0.158 0.000 2.016 394 E HA -0.172 4.178 4.350 -0.000 0.000 0.190 394 E C 1.909 178.636 176.600 0.211 0.000 0.985 394 E CA 0.873 57.395 56.400 0.203 0.000 0.802 394 E CB -0.212 29.573 29.700 0.142 0.000 0.762 394 E HN 0.481 nan 8.360 nan 0.000 0.448 395 A N 1.149 124.062 122.820 0.154 0.000 1.986 395 A HA -0.185 4.135 4.320 -0.000 0.000 0.220 395 A C 2.084 179.763 177.584 0.158 0.000 1.171 395 A CA 1.283 53.405 52.037 0.142 0.000 0.640 395 A CB -0.631 18.439 19.000 0.115 0.000 0.811 395 A HN 0.361 nan 8.150 nan 0.000 0.451 396 I N -1.086 119.576 120.570 0.154 0.000 2.928 396 I HA -0.116 4.054 4.170 -0.000 0.000 0.266 396 I C 2.601 178.802 176.117 0.140 0.000 1.234 396 I CA 0.718 62.108 61.300 0.150 0.000 1.483 396 I CB -0.153 37.889 38.000 0.070 0.000 1.097 396 I HN 0.385 nan 8.210 nan 0.000 0.455 397 A N 0.754 123.668 122.820 0.156 0.000 1.943 397 A HA -0.048 4.272 4.320 -0.000 0.000 0.213 397 A C 2.255 179.847 177.584 0.014 0.000 1.181 397 A CA 0.627 52.735 52.037 0.118 0.000 0.653 397 A CB -0.124 19.028 19.000 0.253 0.000 0.833 397 A HN 0.177 nan 8.150 nan 0.000 0.451 398 K N -0.046 120.425 120.400 0.119 0.000 2.097 398 K HA -0.016 4.304 4.320 -0.000 0.000 0.206 398 K C 1.692 178.298 176.600 0.011 0.000 1.049 398 K CA 1.263 57.593 56.287 0.073 0.000 0.933 398 K CB -0.346 32.254 32.500 0.167 0.000 0.717 398 K HN 0.429 nan 8.250 nan 0.000 0.442 399 L N 1.203 122.478 121.223 0.087 0.000 2.201 399 L HA -0.071 4.269 4.340 -0.000 0.000 0.212 399 L C 0.890 177.831 176.870 0.118 0.000 1.105 399 L CA 0.271 55.222 54.840 0.185 0.000 0.775 399 L CB -0.327 41.935 42.059 0.338 0.000 0.913 399 L HN 0.141 nan 8.230 nan 0.000 0.440 400 L N 1.145 122.330 121.223 -0.063 0.000 2.490 400 L HA 0.047 4.387 4.340 -0.000 0.000 0.274 400 L C 0.129 176.413 176.870 -0.977 0.000 1.201 400 L CA 0.201 54.745 54.840 -0.493 0.000 0.869 400 L CB 0.070 41.951 42.059 -0.296 0.000 1.123 400 L HN 0.156 nan 8.230 nan 0.000 0.484 401 R N 2.997 122.352 120.500 -1.908 0.000 2.807 401 R HA 0.694 5.034 4.340 -0.000 0.000 0.276 401 R C -1.066 174.381 176.300 -1.422 0.000 0.979 401 R CA -0.781 54.444 56.100 -1.457 0.000 0.928 401 R CB 1.898 31.374 30.300 -1.374 0.000 1.191 401 R HN 0.287 nan 8.270 nan 0.000 0.471 402 F N -0.757 119.018 119.950 -0.292 0.000 2.706 402 F HA 0.714 5.241 4.527 -0.000 0.000 0.328 402 F C -0.074 175.721 175.800 -0.010 0.000 1.123 402 F CA -1.252 56.699 58.000 -0.083 0.000 0.978 402 F CB 1.391 40.371 39.000 -0.033 0.000 1.404 402 F HN 0.497 nan 8.300 nan 0.000 0.497 403 A N 0.988 123.989 122.820 0.302 0.000 2.271 403 A HA 0.660 4.980 4.320 -0.000 0.000 0.317 403 A C -0.380 177.360 177.584 0.259 0.000 1.245 403 A CA -0.354 51.820 52.037 0.229 0.000 0.857 403 A CB 0.958 20.099 19.000 0.235 0.000 1.175 403 A HN 0.655 nan 8.150 nan 0.000 0.512 404 S N 1.056 116.898 115.700 0.236 0.000 2.739 404 S HA 0.517 4.987 4.470 -0.000 0.000 0.306 404 S C 0.994 175.741 174.600 0.245 0.000 1.115 404 S CA 0.200 58.550 58.200 0.250 0.000 0.985 404 S CB 1.275 64.633 63.200 0.264 0.000 1.133 404 S HN 0.603 nan 8.310 nan 0.000 0.541 405 T N 1.339 116.029 114.554 0.227 0.000 3.067 405 T HA -0.003 4.347 4.350 -0.000 0.000 0.261 405 T C 1.520 176.320 174.700 0.167 0.000 1.110 405 T CA 0.702 62.907 62.100 0.176 0.000 1.113 405 T CB -0.467 68.477 68.868 0.128 0.000 0.917 405 T HN 0.701 nan 8.240 nan 0.000 0.499 406 H N 2.428 121.555 119.070 0.095 0.000 2.321 406 H HA -0.045 4.511 4.556 -0.000 0.000 0.300 406 H C 1.142 176.511 175.328 0.068 0.000 1.087 406 H CA 1.615 57.701 56.048 0.065 0.000 1.319 406 H CB -0.443 29.352 29.762 0.055 0.000 1.379 406 H HN 0.403 nan 8.280 nan 0.000 0.501 407 T N -0.427 114.322 114.554 0.324 0.000 2.897 407 T HA 0.053 4.403 4.350 -0.000 0.000 0.294 407 T C 0.281 175.080 174.700 0.165 0.000 1.004 407 T CA -0.701 61.537 62.100 0.230 0.000 1.106 407 T CB 1.101 70.067 68.868 0.164 0.000 0.949 407 T HN 0.122 nan 8.240 nan 0.000 0.520 408 D N 2.776 123.250 120.400 0.123 0.000 3.110 408 D HA 0.276 4.916 4.640 -0.000 0.000 0.254 408 D C 0.001 176.370 176.300 0.116 0.000 1.283 408 D CA -0.004 54.068 54.000 0.121 0.000 0.944 408 D CB 0.009 40.856 40.800 0.078 0.000 1.066 408 D HN 0.773 nan 8.370 nan 0.000 0.496 409 S N -1.860 113.906 115.700 0.110 0.000 2.672 409 S HA 0.245 4.715 4.470 -0.000 0.000 0.271 409 S C 0.383 174.770 174.600 -0.354 0.000 1.171 409 S CA -0.667 57.499 58.200 -0.055 0.000 0.817 409 S CB 1.821 64.994 63.200 -0.044 0.000 1.150 409 S HN -0.103 nan 8.310 nan 0.000 0.478 410 S N -0.460 114.813 115.700 -0.712 0.000 2.540 410 S HA 0.452 4.921 4.470 -0.000 0.000 0.218 410 S C 0.728 175.127 174.600 -0.336 0.000 0.977 410 S CA 0.084 57.645 58.200 -1.064 0.000 0.918 410 S CB -0.920 61.627 63.200 -1.089 0.000 0.806 410 S HN 1.185 nan 8.310 nan 0.000 0.496 411 A N 2.008 124.719 122.820 -0.182 0.000 2.515 411 A HA 0.194 4.513 4.320 -0.000 0.000 0.263 411 A C 0.542 178.129 177.584 0.005 0.000 1.096 411 A CA -0.007 51.998 52.037 -0.053 0.000 0.769 411 A CB -0.000 18.987 19.000 -0.021 0.000 1.040 411 A HN 0.616 nan 8.150 nan 0.000 0.505 412 Q N 2.485 122.311 119.800 0.045 0.000 3.141 412 Q HA 0.017 4.357 4.340 -0.000 0.000 0.304 412 Q C 0.704 176.676 176.000 -0.047 0.000 1.305 412 Q CA 0.353 56.178 55.803 0.037 0.000 0.929 412 Q CB -0.366 28.462 28.738 0.151 0.000 1.701 412 Q HN 0.792 nan 8.270 nan 0.000 0.483 413 T N -0.875 113.674 114.554 -0.009 0.000 3.188 413 T HA 0.175 4.525 4.350 -0.000 0.000 0.250 413 T C 0.048 174.731 174.700 -0.028 0.000 1.077 413 T CA -0.119 61.974 62.100 -0.012 0.000 0.967 413 T CB 0.150 69.028 68.868 0.017 0.000 1.006 413 T HN 0.087 nan 8.240 nan 0.000 0.552 414 V N 2.687 122.582 119.914 -0.032 0.000 2.448 414 V HA 0.545 4.665 4.120 -0.000 0.000 0.295 414 V C 0.207 176.294 176.094 -0.012 0.000 1.025 414 V CA -0.952 61.350 62.300 0.003 0.000 0.859 414 V CB 1.832 33.709 31.823 0.090 0.000 0.988 414 V HN 0.571 nan 8.190 nan 0.000 0.431 415 S N 4.989 120.676 115.700 -0.021 0.000 2.632 415 S HA 0.510 4.980 4.470 -0.000 0.000 0.271 415 S C 0.990 175.615 174.600 0.042 0.000 1.260 415 S CA -0.682 57.493 58.200 -0.041 0.000 1.010 415 S CB 1.147 64.312 63.200 -0.059 0.000 0.965 415 S HN 0.517 nan 8.310 nan 0.000 0.534 416 L N 0.664 121.865 121.223 -0.036 0.000 2.131 416 L HA -0.083 4.257 4.340 -0.000 0.000 0.210 416 L C 2.745 179.671 176.870 0.095 0.000 1.092 416 L CA 1.412 56.194 54.840 -0.097 0.000 0.759 416 L CB -0.579 41.058 42.059 -0.703 0.000 0.903 416 L HN 0.811 nan 8.230 nan 0.000 0.435 417 E N -0.138 120.133 120.200 0.119 0.000 2.204 417 E HA -0.205 4.145 4.350 -0.000 0.000 0.194 417 E C 1.538 178.215 176.600 0.127 0.000 0.989 417 E CA 0.893 57.423 56.400 0.218 0.000 0.824 417 E CB 0.045 29.852 29.700 0.178 0.000 0.756 417 E HN 0.489 nan 8.360 nan 0.000 0.477 418 D N -0.141 120.311 120.400 0.086 0.000 2.149 418 D HA -0.148 4.492 4.640 -0.000 0.000 0.201 418 D C 1.646 177.981 176.300 0.059 0.000 0.972 418 D CA 0.811 54.835 54.000 0.040 0.000 0.835 418 D CB -0.188 40.616 40.800 0.007 0.000 0.966 418 D HN 0.222 nan 8.370 nan 0.000 0.476 419 Y N 1.446 121.755 120.300 0.015 0.000 2.242 419 Y HA -0.188 4.362 4.550 -0.000 0.000 0.291 419 Y C 2.205 178.123 175.900 0.030 0.000 1.137 419 Y CA 1.032 59.144 58.100 0.020 0.000 1.181 419 Y CB -0.124 38.336 38.460 -0.001 0.000 0.989 419 Y HN -0.244 nan 8.280 nan 0.000 0.527 420 V N -0.891 119.131 119.914 0.180 0.000 2.244 420 V HA -0.272 3.848 4.120 -0.000 0.000 0.244 420 V C 2.202 178.297 176.094 0.002 0.000 1.042 420 V CA 2.179 64.546 62.300 0.111 0.000 1.006 420 V CB -0.881 31.053 31.823 0.185 0.000 0.641 420 V HN 0.332 nan 8.190 nan 0.000 0.446 421 S N -0.520 115.191 115.700 0.018 0.000 2.571 421 S HA -0.081 4.389 4.470 -0.000 0.000 0.245 421 S C 1.290 175.867 174.600 -0.038 0.000 0.976 421 S CA 0.961 59.158 58.200 -0.006 0.000 0.954 421 S CB -0.363 62.841 63.200 0.006 0.000 0.756 421 S HN 0.531 nan 8.310 nan 0.000 0.535 422 R N -0.514 119.932 120.500 -0.089 0.000 2.642 422 R HA 0.348 4.688 4.340 -0.000 0.000 0.435 422 R C 0.039 176.241 176.300 -0.164 0.000 1.046 422 R CA -0.108 55.930 56.100 -0.103 0.000 1.103 422 R CB 0.319 30.566 30.300 -0.088 0.000 1.425 422 R HN 0.337 nan 8.270 nan 0.000 0.586 423 M N 0.123 119.634 119.600 -0.148 0.000 1.898 423 M HA 0.263 4.742 4.480 -0.000 0.000 0.191 423 M C 0.767 177.030 176.300 -0.062 0.000 1.181 423 M CA 0.508 55.730 55.300 -0.131 0.000 0.990 423 M CB 0.562 33.115 32.600 -0.078 0.000 1.143 423 M HN -0.058 nan 8.290 nan 0.000 0.540 424 K N -0.011 120.372 120.400 -0.029 0.000 2.359 424 K HA 0.264 4.584 4.320 -0.000 0.000 0.315 424 K C -1.168 175.429 176.600 -0.004 0.000 1.027 424 K CA -0.549 55.729 56.287 -0.016 0.000 0.806 424 K CB 0.654 33.145 32.500 -0.014 0.000 3.499 424 K HN 0.662 nan 8.250 nan 0.000 1.216 425 E N -0.352 119.850 120.200 0.003 0.000 2.274 425 E HA 0.524 4.874 4.350 -0.000 0.000 0.269 425 E C -0.258 176.352 176.600 0.016 0.000 0.891 425 E CA -0.844 55.560 56.400 0.007 0.000 0.784 425 E CB 1.835 31.536 29.700 0.001 0.000 1.225 425 E HN 0.687 nan 8.360 nan 0.000 0.412 426 G N 2.432 111.247 108.800 0.025 0.000 2.237 426 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.153 426 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.153 426 G C 0.139 175.085 174.900 0.076 0.000 1.039 426 G CA 0.062 45.186 45.100 0.039 0.000 0.719 426 G HN 0.478 nan 8.290 nan 0.000 0.491 427 Q N -0.603 119.231 119.800 0.057 0.000 2.823 427 Q HA 0.513 4.853 4.340 -0.000 0.000 0.426 427 Q C 1.412 177.435 176.000 0.037 0.000 1.118 427 Q CA 0.470 56.310 55.803 0.062 0.000 0.461 427 Q CB 0.175 28.927 28.738 0.023 0.000 5.137 427 Q HN 0.404 nan 8.270 nan 0.000 0.311 428 E N -0.701 119.494 120.200 -0.008 0.000 4.067 428 E HA -0.214 4.136 4.350 -0.000 0.000 0.346 428 E C -0.765 175.761 176.600 -0.122 0.000 0.613 428 E CA 1.297 57.670 56.400 -0.046 0.000 1.252 428 E CB -0.552 29.132 29.700 -0.027 0.000 1.731 428 E HN 0.332 nan 8.360 nan 0.000 0.406 429 K N -0.199 120.093 120.400 -0.180 0.000 2.533 429 K HA 0.630 4.950 4.320 -0.000 0.000 0.272 429 K C -0.824 175.491 176.600 -0.475 0.000 0.985 429 K CA -0.709 55.316 56.287 -0.437 0.000 0.876 429 K CB 1.934 33.983 32.500 -0.750 0.000 1.452 429 K HN -0.107 nan 8.250 nan 0.000 0.439 430 I N 2.906 123.122 120.570 -0.590 0.000 2.390 430 I HA 0.267 4.437 4.170 -0.000 0.000 0.283 430 I C -1.147 174.639 176.117 -0.552 0.000 1.016 430 I CA -0.704 60.262 61.300 -0.557 0.000 1.151 430 I CB 0.458 37.896 38.000 -0.937 0.000 1.293 430 I HN 0.417 nan 8.210 nan 0.000 0.458 431 Y N 6.562 126.772 120.300 -0.150 0.000 2.313 431 Y HA 0.398 4.948 4.550 -0.000 0.000 0.332 431 Y C 0.125 175.964 175.900 -0.102 0.000 1.071 431 Y CA -0.584 57.425 58.100 -0.151 0.000 1.169 431 Y CB 0.525 38.949 38.460 -0.060 0.000 1.192 431 Y HN 0.447 nan 8.280 nan 0.000 0.487 432 Y N 0.225 120.573 120.300 0.080 0.000 2.753 432 Y HA 0.912 5.462 4.550 -0.000 0.000 0.324 432 Y C -1.286 174.650 175.900 0.061 0.000 1.147 432 Y CA -2.930 55.183 58.100 0.022 0.000 1.173 432 Y CB 1.203 39.644 38.460 -0.032 0.000 1.361 432 Y HN 0.406 nan 8.280 nan 0.000 0.545 433 I N 0.944 121.786 120.570 0.453 0.000 2.610 433 I HA 0.249 4.419 4.170 -0.000 0.000 0.289 433 I C -1.340 174.923 176.117 0.243 0.000 1.163 433 I CA -0.700 60.786 61.300 0.309 0.000 1.044 433 I CB 2.654 40.745 38.000 0.153 0.000 1.251 433 I HN 0.688 nan 8.210 nan 0.000 0.424 434 T N 5.437 120.120 114.554 0.215 0.000 2.947 434 T HA 0.648 4.998 4.350 -0.000 0.000 0.337 434 T C 0.225 174.975 174.700 0.084 0.000 1.139 434 T CA -0.295 61.868 62.100 0.106 0.000 0.992 434 T CB 1.004 69.912 68.868 0.067 0.000 1.043 434 T HN 0.690 nan 8.240 nan 0.000 0.498 435 A N 2.568 125.429 122.820 0.067 0.000 3.158 435 A HA 0.760 5.080 4.320 -0.000 0.000 0.217 435 A C 0.600 178.208 177.584 0.040 0.000 1.469 435 A CA -0.374 51.691 52.037 0.046 0.000 0.885 435 A CB 0.634 19.650 19.000 0.028 0.000 1.662 435 A HN 0.548 nan 8.150 nan 0.000 0.512 436 D N -0.993 119.425 120.400 0.029 0.000 3.012 436 D HA 0.179 4.819 4.640 -0.000 0.000 0.284 436 D C 0.431 176.753 176.300 0.037 0.000 1.259 436 D CA 0.854 54.869 54.000 0.025 0.000 1.036 436 D CB -0.117 40.690 40.800 0.013 0.000 1.167 436 D HN 0.326 nan 8.370 nan 0.000 0.429 437 S N -0.796 114.926 115.700 0.037 0.000 2.565 437 S HA 0.123 4.593 4.470 -0.000 0.000 0.290 437 S C 0.755 175.409 174.600 0.090 0.000 1.150 437 S CA -0.640 57.600 58.200 0.066 0.000 1.058 437 S CB 0.784 64.014 63.200 0.051 0.000 1.032 437 S HN 0.200 nan 8.310 nan 0.000 0.510 438 Y N 4.339 124.656 120.300 0.029 0.000 2.173 438 Y HA -0.303 4.246 4.550 -0.000 0.000 0.282 438 Y C 2.040 177.961 175.900 0.034 0.000 1.192 438 Y CA 2.426 60.550 58.100 0.041 0.000 1.176 438 Y CB -0.771 37.715 38.460 0.043 0.000 0.969 438 Y HN 0.743 nan 8.280 nan 0.000 0.519 439 A N 0.692 123.452 122.820 -0.100 0.000 1.877 439 A HA -0.050 4.270 4.320 -0.000 0.000 0.216 439 A C 2.357 179.839 177.584 -0.170 0.000 1.186 439 A CA 1.775 53.702 52.037 -0.182 0.000 0.620 439 A CB -1.549 17.432 19.000 -0.032 0.000 0.822 439 A HN 0.693 nan 8.150 nan 0.000 0.443 440 A N -1.289 121.479 122.820 -0.086 0.000 2.259 440 A HA 0.367 4.687 4.320 -0.000 0.000 0.212 440 A C 1.720 179.262 177.584 -0.071 0.000 1.178 440 A CA 1.619 53.618 52.037 -0.063 0.000 0.734 440 A CB -0.548 18.438 19.000 -0.022 0.000 0.774 440 A HN 1.163 nan 8.150 nan 0.000 0.481 441 A N -1.742 121.007 122.820 -0.119 0.000 2.474 441 A HA 0.295 4.615 4.320 -0.000 0.000 0.221 441 A C 1.661 179.159 177.584 -0.143 0.000 1.298 441 A CA 0.527 52.512 52.037 -0.086 0.000 1.008 441 A CB 0.157 19.148 19.000 -0.014 0.000 1.217 441 A HN 0.244 nan 8.150 nan 0.000 0.553 442 K N -0.392 119.831 120.400 -0.295 0.000 2.361 442 K HA 0.212 4.532 4.320 -0.000 0.000 0.194 442 K C 0.529 177.019 176.600 -0.183 0.000 1.032 442 K CA 1.111 57.217 56.287 -0.302 0.000 1.048 442 K CB 0.292 32.398 32.500 -0.657 0.000 0.842 442 K HN 0.349 nan 8.250 nan 0.000 0.526 443 S N -1.361 114.240 115.700 -0.166 0.000 2.590 443 S HA -0.025 4.445 4.470 -0.000 0.000 0.281 443 S C 0.867 175.395 174.600 -0.121 0.000 1.068 443 S CA -0.243 57.885 58.200 -0.120 0.000 1.193 443 S CB 0.567 63.706 63.200 -0.102 0.000 1.040 443 S HN 0.162 nan 8.310 nan 0.000 0.544 444 S N 2.465 118.092 115.700 -0.122 0.000 2.660 444 S HA 0.155 4.625 4.470 -0.000 0.000 0.228 444 S C -0.932 173.563 174.600 -0.176 0.000 0.966 444 S CA 0.065 58.193 58.200 -0.122 0.000 0.940 444 S CB -0.501 62.648 63.200 -0.085 0.000 0.773 444 S HN 0.531 nan 8.310 nan 0.000 0.535 445 P HA 0.439 nan 4.420 nan 0.000 0.298 445 P C -0.770 176.132 177.300 -0.663 0.000 1.189 445 P CA -0.189 62.707 63.100 -0.341 0.000 0.735 445 P CB 0.442 32.068 31.700 -0.123 0.000 1.855 446 H N -0.057 119.005 119.070 -0.014 0.000 2.637 446 H HA 0.186 4.742 4.556 -0.000 0.000 0.245 446 H C 1.139 176.447 175.328 -0.034 0.000 1.190 446 H CA -0.060 55.975 56.048 -0.022 0.000 0.934 446 H CB 0.328 30.077 29.762 -0.021 0.000 1.950 446 H HN 0.068 nan 8.280 nan 0.000 0.614 447 L N -0.964 120.269 121.223 0.016 0.000 2.362 447 L HA 0.051 4.391 4.340 -0.000 0.000 0.219 447 L C 1.806 178.666 176.870 -0.017 0.000 1.134 447 L CA 1.452 56.290 54.840 -0.004 0.000 0.807 447 L CB -0.538 41.519 42.059 -0.002 0.000 0.927 447 L HN 0.096 nan 8.230 nan 0.000 0.447 448 E N 0.557 120.755 120.200 -0.003 0.000 2.209 448 E HA -0.207 4.143 4.350 -0.000 0.000 0.196 448 E C 2.082 178.676 176.600 -0.010 0.000 0.993 448 E CA 1.374 57.771 56.400 -0.005 0.000 0.819 448 E CB -0.177 29.527 29.700 0.006 0.000 0.745 448 E HN 0.727 nan 8.360 nan 0.000 0.477 449 L N 0.140 121.361 121.223 -0.004 0.000 2.079 449 L HA -0.223 4.117 4.340 -0.000 0.000 0.210 449 L C 2.441 179.269 176.870 -0.070 0.000 1.081 449 L CA 0.947 55.769 54.840 -0.031 0.000 0.752 449 L CB -0.407 41.630 42.059 -0.036 0.000 0.896 449 L HN 0.221 nan 8.230 nan 0.000 0.433 450 L N -1.057 120.108 121.223 -0.097 0.000 2.162 450 L HA -0.032 4.308 4.340 -0.000 0.000 0.205 450 L C 2.825 179.648 176.870 -0.079 0.000 1.086 450 L CA 0.465 55.223 54.840 -0.137 0.000 0.778 450 L CB -0.414 41.520 42.059 -0.209 0.000 0.928 450 L HN 0.161 nan 8.230 nan 0.000 0.446 451 R N 1.118 121.589 120.500 -0.049 0.000 2.152 451 R HA -0.198 4.142 4.340 -0.000 0.000 0.232 451 R C 2.109 178.392 176.300 -0.029 0.000 1.117 451 R CA 1.320 57.402 56.100 -0.030 0.000 0.981 451 R CB -0.113 30.176 30.300 -0.019 0.000 0.870 451 R HN 0.296 nan 8.270 nan 0.000 0.451 452 K N 0.547 120.928 120.400 -0.031 0.000 2.288 452 K HA -0.095 4.224 4.320 -0.000 0.000 0.201 452 K C 1.275 177.857 176.600 -0.030 0.000 1.048 452 K CA 1.142 57.413 56.287 -0.027 0.000 0.956 452 K CB 0.201 32.687 32.500 -0.024 0.000 0.746 452 K HN 0.074 nan 8.250 nan 0.000 0.461 453 K N -1.088 119.289 120.400 -0.039 0.000 2.348 453 K HA 0.094 4.414 4.320 -0.000 0.000 0.194 453 K C 0.331 176.912 176.600 -0.032 0.000 1.052 453 K CA 0.596 56.860 56.287 -0.037 0.000 1.004 453 K CB 0.942 33.413 32.500 -0.048 0.000 0.873 453 K HN 0.310 nan 8.250 nan 0.000 0.523 454 G N 2.348 111.128 108.800 -0.034 0.000 2.270 454 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.224 454 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.224 454 G C -0.274 174.611 174.900 -0.026 0.000 1.079 454 G CA -0.394 44.689 45.100 -0.028 0.000 0.807 454 G HN 0.142 nan 8.290 nan 0.000 0.492 455 I N -0.043 120.510 120.570 -0.028 0.000 2.441 455 I HA 0.401 4.571 4.170 -0.000 0.000 0.295 455 I C 0.608 176.744 176.117 0.032 0.000 0.994 455 I CA -0.937 60.358 61.300 -0.009 0.000 1.144 455 I CB 1.884 39.863 38.000 -0.034 0.000 1.314 455 I HN 0.229 nan 8.210 nan 0.000 0.445 456 E N 4.481 124.708 120.200 0.045 0.000 2.360 456 E HA 0.349 4.699 4.350 -0.000 0.000 0.269 456 E C -1.416 175.429 176.600 0.409 0.000 1.022 456 E CA -0.326 56.161 56.400 0.145 0.000 0.887 456 E CB 1.117 30.768 29.700 -0.082 0.000 0.990 456 E HN 0.327 nan 8.360 nan 0.000 0.426 457 V N 5.871 125.978 119.914 0.322 0.000 2.531 457 V HA 0.240 4.360 4.120 -0.000 0.000 0.301 457 V C -0.152 176.081 176.094 0.232 0.000 1.034 457 V CA -0.789 61.674 62.300 0.273 0.000 0.865 457 V CB 1.554 33.468 31.823 0.152 0.000 0.995 457 V HN 0.645 nan 8.190 nan 0.000 0.424 458 L N 5.706 127.015 121.223 0.144 0.000 2.283 458 L HA 0.403 4.743 4.340 -0.000 0.000 0.287 458 L C -0.334 176.619 176.870 0.138 0.000 1.073 458 L CA -0.259 54.632 54.840 0.084 0.000 0.822 458 L CB 0.663 42.622 42.059 -0.167 0.000 1.186 458 L HN 0.507 nan 8.230 nan 0.000 0.436 459 L N 6.020 127.353 121.223 0.183 0.000 2.356 459 L HA 0.332 4.672 4.340 -0.000 0.000 0.282 459 L C -0.076 176.924 176.870 0.217 0.000 1.132 459 L CA -0.056 54.895 54.840 0.186 0.000 0.923 459 L CB -0.027 42.152 42.059 0.200 0.000 1.278 459 L HN 0.476 nan 8.230 nan 0.000 0.436 460 L N 2.849 124.176 121.223 0.173 0.000 2.292 460 L HA 0.309 4.649 4.340 -0.000 0.000 0.284 460 L C 0.791 177.744 176.870 0.140 0.000 1.065 460 L CA 0.061 55.007 54.840 0.176 0.000 0.806 460 L CB 1.562 43.680 42.059 0.098 0.000 1.175 460 L HN 0.697 nan 8.230 nan 0.000 0.431 461 S N -0.687 115.102 115.700 0.149 0.000 3.041 461 S HA 0.239 4.709 4.470 -0.000 0.000 0.250 461 S C -0.577 174.072 174.600 0.082 0.000 0.898 461 S CA -0.808 57.459 58.200 0.111 0.000 1.100 461 S CB 0.069 63.352 63.200 0.138 0.000 1.149 461 S HN 0.499 nan 8.310 nan 0.000 0.540 462 D N 1.997 122.444 120.400 0.078 0.000 2.303 462 D HA 0.334 4.974 4.640 -0.000 0.000 0.236 462 D C 1.074 177.385 176.300 0.018 0.000 1.068 462 D CA -0.495 53.527 54.000 0.037 0.000 0.830 462 D CB 1.863 42.692 40.800 0.047 0.000 1.109 462 D HN 0.076 nan 8.370 nan 0.000 0.496 463 R N 2.718 123.206 120.500 -0.021 0.000 2.279 463 R HA -0.240 4.100 4.340 -0.000 0.000 0.264 463 R C 1.593 177.892 176.300 -0.002 0.000 1.138 463 R CA 1.567 57.648 56.100 -0.033 0.000 0.981 463 R CB -0.766 29.477 30.300 -0.095 0.000 0.909 463 R HN 0.696 nan 8.270 nan 0.000 0.462 464 I N -0.778 119.801 120.570 0.014 0.000 2.876 464 I HA -0.149 4.021 4.170 -0.000 0.000 0.264 464 I C 0.862 177.071 176.117 0.152 0.000 1.204 464 I CA 1.014 62.370 61.300 0.093 0.000 1.485 464 I CB -0.250 37.812 38.000 0.103 0.000 1.103 464 I HN 0.186 nan 8.210 nan 0.000 0.446 465 D N 1.332 121.790 120.400 0.097 0.000 2.192 465 D HA -0.334 4.306 4.640 -0.000 0.000 0.189 465 D C 1.858 178.166 176.300 0.013 0.000 1.007 465 D CA 1.892 55.930 54.000 0.063 0.000 0.859 465 D CB -0.272 40.556 40.800 0.047 0.000 0.936 465 D HN 0.531 nan 8.370 nan 0.000 0.447 466 E N -0.467 119.756 120.200 0.038 0.000 2.058 466 E HA -0.201 4.149 4.350 -0.000 0.000 0.194 466 E C 2.152 178.822 176.600 0.116 0.000 0.997 466 E CA 1.064 57.488 56.400 0.039 0.000 0.801 466 E CB -0.309 29.440 29.700 0.081 0.000 0.746 466 E HN 0.391 nan 8.360 nan 0.000 0.450 467 W N 1.140 122.445 121.300 0.009 0.000 2.425 467 W HA -0.129 4.531 4.660 0.000 0.000 0.277 467 W C 2.272 178.842 176.519 0.085 0.000 1.231 467 W CA 1.808 59.189 57.345 0.059 0.000 1.248 467 W CB -0.202 29.280 29.460 0.036 0.000 1.117 467 W HN 0.093 nan 8.180 nan 0.000 0.568 468 M N -0.179 119.421 119.600 -0.001 0.000 2.132 468 M HA -0.168 4.312 4.480 -0.000 0.000 0.263 468 M C 1.527 177.725 176.300 -0.169 0.000 1.065 468 M CA 1.485 56.673 55.300 -0.188 0.000 1.122 468 M CB -0.321 32.256 32.600 -0.038 0.000 1.365 468 M HN -0.165 nan 8.290 nan 0.000 0.411 469 M N 1.036 120.539 119.600 -0.162 0.000 2.776 469 M HA -0.066 4.414 4.480 -0.000 0.000 0.233 469 M C 0.446 176.683 176.300 -0.105 0.000 1.078 469 M CA 0.802 55.982 55.300 -0.201 0.000 1.058 469 M CB -1.466 30.951 32.600 -0.304 0.000 1.611 469 M HN 0.368 nan 8.290 nan 0.000 0.541 470 N N -1.205 117.450 118.700 -0.076 0.000 2.236 470 N HA 0.045 4.785 4.740 -0.000 0.000 0.196 470 N C 0.611 175.948 175.510 -0.288 0.000 1.114 470 N CA 0.527 53.486 53.050 -0.151 0.000 0.859 470 N CB 0.416 38.783 38.487 -0.201 0.000 0.982 470 N HN 0.376 nan 8.380 nan 0.000 0.493 471 Y N -0.211 119.918 120.300 -0.285 0.000 2.512 471 Y HA 0.365 4.915 4.550 -0.000 0.000 0.268 471 Y C 0.746 176.540 175.900 -0.177 0.000 1.102 471 Y CA -0.302 57.659 58.100 -0.233 0.000 1.261 471 Y CB 0.864 39.153 38.460 -0.285 0.000 1.250 471 Y HN -0.135 nan 8.280 nan 0.000 0.506 472 L N 2.587 123.771 121.223 -0.065 0.000 2.328 472 L HA 0.208 4.548 4.340 -0.000 0.000 0.280 472 L C 0.447 177.197 176.870 -0.200 0.000 1.111 472 L CA -0.027 54.711 54.840 -0.170 0.000 0.909 472 L CB 0.241 42.086 42.059 -0.357 0.000 1.277 472 L HN 0.220 nan 8.230 nan 0.000 0.433 473 T N -0.282 114.255 114.554 -0.028 0.000 3.258 473 T HA 0.308 4.658 4.350 -0.000 0.000 0.263 473 T C 0.026 174.856 174.700 0.217 0.000 0.983 473 T CA -0.433 61.707 62.100 0.066 0.000 0.907 473 T CB 0.017 68.893 68.868 0.013 0.000 1.096 473 T HN 0.684 nan 8.240 nan 0.000 0.556 474 E N 0.057 120.519 120.200 0.436 0.000 2.693 474 E HA 0.157 4.507 4.350 -0.000 0.000 0.293 474 E C -2.291 174.652 176.600 0.573 0.000 1.208 474 E CA -0.791 55.894 56.400 0.476 0.000 0.988 474 E CB -0.013 29.800 29.700 0.188 0.000 1.101 474 E HN 0.154 nan 8.360 nan 0.000 0.442 475 F N 4.072 124.197 119.950 0.291 0.000 2.610 475 F HA 0.387 4.915 4.527 0.000 0.000 0.355 475 F C -0.983 174.863 175.800 0.077 0.000 1.140 475 F CA -0.409 57.732 58.000 0.235 0.000 1.037 475 F CB 0.806 39.989 39.000 0.305 0.000 1.287 475 F HN 0.584 nan 8.300 nan 0.000 0.457 476 D N 4.867 124.981 120.400 -0.477 0.000 3.038 476 D HA 0.056 4.696 4.640 -0.000 0.000 0.229 476 D C 0.939 177.093 176.300 -0.244 0.000 1.182 476 D CA 2.160 55.895 54.000 -0.441 0.000 0.852 476 D CB -0.716 39.648 40.800 -0.727 0.000 0.932 476 D HN 1.250 nan 8.370 nan 0.000 0.406 477 G N 0.737 109.462 108.800 -0.126 0.000 4.269 477 G HA2 -0.385 3.575 3.960 -0.000 0.000 0.290 477 G HA3 -0.385 3.575 3.960 -0.000 0.000 0.290 477 G C -0.250 174.611 174.900 -0.065 0.000 1.570 477 G CA 0.037 45.089 45.100 -0.080 0.000 1.072 477 G HN 0.463 nan 8.290 nan 0.000 0.681 478 K N 3.389 123.740 120.400 -0.081 0.000 2.364 478 K HA 0.110 4.430 4.320 -0.000 0.000 0.265 478 K C -2.014 174.499 176.600 -0.145 0.000 1.189 478 K CA 0.266 56.489 56.287 -0.106 0.000 1.224 478 K CB -0.163 32.279 32.500 -0.097 0.000 0.813 478 K HN 0.533 nan 8.250 nan 0.000 0.490 479 P HA 0.159 nan 4.420 nan 0.000 0.274 479 P C -0.513 176.697 177.300 -0.150 0.000 1.246 479 P CA -0.391 62.684 63.100 -0.042 0.000 0.795 479 P CB 0.508 32.196 31.700 -0.020 0.000 1.006 480 F N 0.390 120.307 119.950 -0.055 0.000 2.394 480 F HA 0.415 4.942 4.527 -0.000 0.000 0.340 480 F C 1.115 176.837 175.800 -0.131 0.000 1.105 480 F CA 0.365 58.323 58.000 -0.070 0.000 1.124 480 F CB 1.308 40.348 39.000 0.067 0.000 1.145 480 F HN 0.240 nan 8.300 nan 0.000 0.505 481 Q N 2.080 121.781 119.800 -0.164 0.000 2.284 481 Q HA 0.388 4.728 4.340 -0.000 0.000 0.269 481 Q C -0.969 174.641 176.000 -0.650 0.000 1.026 481 Q CA -0.599 55.029 55.803 -0.291 0.000 0.831 481 Q CB 2.062 30.667 28.738 -0.221 0.000 1.322 481 Q HN 0.799 nan 8.270 nan 0.000 0.419 482 S N 0.786 116.040 115.700 -0.743 0.000 2.634 482 S HA 0.407 4.877 4.470 -0.000 0.000 0.254 482 S C 0.251 174.687 174.600 -0.273 0.000 1.299 482 S CA -0.616 57.086 58.200 -0.830 0.000 0.974 482 S CB 0.660 63.720 63.200 -0.233 0.000 1.001 482 S HN 0.480 nan 8.310 nan 0.000 0.584 483 V N 0.000 119.847 119.914 -0.111 0.000 2.409 483 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 483 V CA 0.000 62.298 62.300 -0.003 0.000 1.235 483 V CB 0.000 31.837 31.823 0.023 0.000 1.184 483 V HN 0.000 nan 8.190 nan 0.000 0.556