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 2iop_1_A DATA FIRST_RESID 1 DATA SEQUENCE MKGQETRGFQ SEVKQLLHLM IHSLYSNKEI FLRELISNAS DAADKLRFRA DATA SEQUENCE LSNPDLYEGD GELRVRVSFD KDKRTLTISD NGVGMTRDEV IDHLGTIAKS DATA SEQUENCE GTKSFLESLG SDQAKDSQLI 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 QSVSKVDESL EKLXXXXXXS DATA SEQUENCE AKEAEKALTP FIDRVKALLG ERVKDVRLTH RLTDTPAIVS TDADEMSTQM DATA SEQUENCE AKLFAAAGQK VPEVKYIFEL NPDHVLVKRA ADTEDEAKFS EWVELLLDQA DATA SEQUENCE LLAERGTLED PNLFIRRMNQ LLVS 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 0.000 176.257 176.300 -0.072 0.000 1.140 1 M CA 0.000 55.227 55.300 -0.122 0.000 0.988 1 M CB 0.000 32.484 32.600 -0.193 0.000 1.302 2 K N 0.123 120.506 120.400 -0.029 0.000 2.183 2 K HA 0.614 4.935 4.320 0.001 0.000 0.274 2 K C 1.029 177.627 176.600 -0.002 0.000 1.009 2 K CA 1.025 57.305 56.287 -0.013 0.000 0.888 2 K CB 1.134 33.636 32.500 0.002 0.000 1.078 2 K HN 0.605 nan 8.250 nan 0.000 0.459 3 G N 2.802 111.599 108.800 -0.005 0.000 2.171 3 G HA2 -0.277 3.684 3.960 0.001 0.000 0.238 3 G HA3 -0.277 3.684 3.960 0.001 0.000 0.238 3 G C -0.047 174.857 174.900 0.005 0.000 1.039 3 G CA 0.296 45.399 45.100 0.006 0.000 0.759 3 G HN 0.700 nan 8.290 nan 0.000 0.501 4 Q N -0.251 119.538 119.800 -0.019 0.000 2.479 4 Q HA 0.489 4.830 4.340 0.001 0.000 0.267 4 Q C 0.095 176.087 176.000 -0.012 0.000 1.071 4 Q CA 0.672 56.458 55.803 -0.030 0.000 0.935 4 Q CB 0.419 29.116 28.738 -0.068 0.000 1.295 4 Q HN 0.530 nan 8.270 nan 0.000 0.476 5 E N 0.809 121.004 120.200 -0.007 0.000 2.481 5 E HA 0.145 4.496 4.350 0.001 0.000 0.301 5 E C -1.813 174.761 176.600 -0.043 0.000 0.948 5 E CA -0.381 56.011 56.400 -0.015 0.000 0.804 5 E CB 1.343 31.052 29.700 0.015 0.000 1.265 5 E HN 0.691 nan 8.360 nan 0.000 0.406 6 T N 1.694 116.198 114.554 -0.083 0.000 2.770 6 T HA 0.594 4.945 4.350 0.001 0.000 0.297 6 T C -0.081 174.499 174.700 -0.201 0.000 0.997 6 T CA -0.822 61.193 62.100 -0.142 0.000 0.949 6 T CB 0.779 69.578 68.868 -0.114 0.000 0.941 6 T HN 0.300 nan 8.240 nan 0.000 0.457 7 R N 1.794 122.073 120.500 -0.368 0.000 2.604 7 R HA 0.789 5.129 4.340 0.001 0.000 0.287 7 R C -0.018 176.050 176.300 -0.387 0.000 0.970 7 R CA -1.042 54.830 56.100 -0.380 0.000 0.946 7 R CB 2.148 32.181 30.300 -0.444 0.000 1.127 7 R HN 0.908 nan 8.270 nan 0.000 0.473 8 G N 1.735 110.418 108.800 -0.194 0.000 2.766 8 G HA2 0.522 4.483 3.960 0.001 0.000 0.297 8 G HA3 0.522 4.483 3.960 0.001 0.000 0.297 8 G C -1.815 173.048 174.900 -0.063 0.000 1.431 8 G CA -0.433 44.618 45.100 -0.083 0.000 1.042 8 G HN 0.345 nan 8.290 nan 0.000 0.542 9 F N 1.336 121.293 119.950 0.012 0.000 2.493 9 F HA 0.435 4.962 4.527 0.001 0.000 0.329 9 F C 1.173 176.982 175.800 0.015 0.000 1.126 9 F CA -0.628 57.383 58.000 0.019 0.000 0.937 9 F CB 2.639 41.664 39.000 0.042 0.000 1.146 9 F HN 0.358 nan 8.300 nan 0.000 0.442 10 Q N 2.387 122.260 119.800 0.122 0.000 1.962 10 Q HA 0.121 4.462 4.340 0.001 0.000 0.204 10 Q C 2.033 178.065 176.000 0.052 0.000 0.979 10 Q CA 1.109 56.934 55.803 0.036 0.000 0.847 10 Q CB -0.784 27.936 28.738 -0.030 0.000 0.906 10 Q HN 0.869 nan 8.270 nan 0.000 0.458 11 S N 1.517 117.249 115.700 0.052 0.000 2.363 11 S HA -0.078 4.392 4.470 0.001 0.000 0.184 11 S C 1.789 176.401 174.600 0.020 0.000 1.256 11 S CA 1.628 59.843 58.200 0.025 0.000 1.818 11 S CB -1.072 62.144 63.200 0.027 0.000 0.781 11 S HN 0.429 nan 8.310 nan 0.000 0.371 12 E N 0.693 120.906 120.200 0.022 0.000 2.482 12 E HA 0.321 4.672 4.350 0.001 0.000 0.200 12 E C 1.621 178.231 176.600 0.016 0.000 1.147 12 E CA 0.767 57.178 56.400 0.018 0.000 0.912 12 E CB -1.256 28.457 29.700 0.022 0.000 0.938 12 E HN 0.431 nan 8.360 nan 0.000 0.519 13 V N 0.929 120.857 119.914 0.023 0.000 2.283 13 V HA -0.247 3.873 4.120 0.001 0.000 0.243 13 V C 2.545 178.640 176.094 0.002 0.000 1.039 13 V CA 2.037 64.347 62.300 0.017 0.000 1.016 13 V CB -0.267 31.585 31.823 0.049 0.000 0.650 13 V HN 0.685 nan 8.190 nan 0.000 0.449 14 K N -0.250 120.154 120.400 0.006 0.000 2.107 14 K HA -0.313 4.008 4.320 0.001 0.000 0.211 14 K C 2.193 178.785 176.600 -0.013 0.000 1.049 14 K CA 2.099 58.380 56.287 -0.009 0.000 0.927 14 K CB -0.136 32.358 32.500 -0.010 0.000 0.714 14 K HN 0.432 nan 8.250 nan 0.000 0.452 15 Q N 0.466 120.264 119.800 -0.003 0.000 2.049 15 Q HA -0.062 4.279 4.340 0.001 0.000 0.198 15 Q C 2.390 178.390 176.000 -0.000 0.000 0.971 15 Q CA 1.010 56.814 55.803 0.003 0.000 0.833 15 Q CB -0.217 28.529 28.738 0.013 0.000 0.896 15 Q HN 0.413 nan 8.270 nan 0.000 0.434 16 L N 0.355 121.572 121.223 -0.010 0.000 2.129 16 L HA -0.233 4.108 4.340 0.001 0.000 0.212 16 L C 2.137 178.966 176.870 -0.068 0.000 1.087 16 L CA 0.716 55.535 54.840 -0.035 0.000 0.757 16 L CB -0.351 41.681 42.059 -0.045 0.000 0.896 16 L HN 0.184 nan 8.230 nan 0.000 0.434 17 L N -0.778 120.412 121.223 -0.055 0.000 2.095 17 L HA -0.131 4.210 4.340 0.001 0.000 0.204 17 L C 3.049 179.916 176.870 -0.005 0.000 1.080 17 L CA 2.226 57.034 54.840 -0.053 0.000 0.759 17 L CB -1.654 40.371 42.059 -0.057 0.000 0.914 17 L HN 0.387 nan 8.230 nan 0.000 0.439 18 H N -0.909 118.161 119.070 0.000 0.000 2.568 18 H HA 0.057 4.614 4.556 0.001 0.000 0.281 18 H C 1.842 177.221 175.328 0.086 0.000 1.028 18 H CA 1.461 57.523 56.048 0.022 0.000 1.199 18 H CB -0.420 29.338 29.762 -0.008 0.000 1.352 18 H HN 0.290 nan 8.280 nan 0.000 0.605 19 L N -1.094 120.162 121.223 0.056 0.000 2.296 19 L HA 0.189 4.529 4.340 0.001 0.000 0.193 19 L C 2.418 179.312 176.870 0.039 0.000 1.123 19 L CA 1.547 56.432 54.840 0.075 0.000 0.805 19 L CB -0.544 41.527 42.059 0.021 0.000 1.004 19 L HN 0.430 nan 8.230 nan 0.000 0.478 20 M N -0.232 119.293 119.600 -0.125 0.000 2.059 20 M HA -0.169 4.312 4.480 0.001 0.000 0.259 20 M C 2.240 178.556 176.300 0.026 0.000 1.072 20 M CA 2.161 57.352 55.300 -0.183 0.000 1.117 20 M CB -0.548 31.840 32.600 -0.354 0.000 1.320 20 M HN 0.257 nan 8.290 nan 0.000 0.408 21 I N -0.868 119.742 120.570 0.067 0.000 2.315 21 I HA -0.368 3.803 4.170 0.001 0.000 0.251 21 I C 2.487 178.717 176.117 0.188 0.000 1.125 21 I CA 1.638 63.026 61.300 0.146 0.000 1.392 21 I CB -1.014 37.098 38.000 0.188 0.000 1.065 21 I HN 0.490 nan 8.210 nan 0.000 0.424 22 H N 0.529 119.636 119.070 0.063 0.000 2.512 22 H HA -0.034 4.522 4.556 0.001 0.000 0.279 22 H C 2.294 177.670 175.328 0.080 0.000 0.999 22 H CA 0.715 56.802 56.048 0.065 0.000 1.283 22 H CB 0.483 30.279 29.762 0.056 0.000 1.421 22 H HN 0.228 nan 8.280 nan 0.000 0.554 23 S N 0.861 116.605 115.700 0.073 0.000 2.382 23 S HA -0.099 4.371 4.470 0.001 0.000 0.228 23 S C 1.947 176.559 174.600 0.020 0.000 1.027 23 S CA 0.666 58.899 58.200 0.056 0.000 0.991 23 S CB -0.117 63.230 63.200 0.246 0.000 0.823 23 S HN 0.421 nan 8.310 nan 0.000 0.469 24 L N 1.019 122.282 121.223 0.066 0.000 2.675 24 L HA -0.036 4.304 4.340 0.001 0.000 0.238 24 L C 2.669 179.577 176.870 0.064 0.000 1.155 24 L CA 0.830 55.706 54.840 0.060 0.000 0.881 24 L CB -1.539 40.577 42.059 0.095 0.000 1.008 24 L HN 0.580 nan 8.230 nan 0.000 0.443 25 Y N -0.058 120.273 120.300 0.053 0.000 2.256 25 Y HA -0.321 4.230 4.550 0.001 0.000 0.288 25 Y C 2.758 178.690 175.900 0.053 0.000 1.155 25 Y CA 2.014 60.164 58.100 0.083 0.000 1.203 25 Y CB -0.757 37.754 38.460 0.086 0.000 0.980 25 Y HN 0.403 nan 8.280 nan 0.000 0.530 26 S N 0.025 115.736 115.700 0.019 0.000 2.348 26 S HA -0.173 4.298 4.470 0.001 0.000 0.221 26 S C 0.930 175.556 174.600 0.044 0.000 1.033 26 S CA 1.410 59.620 58.200 0.017 0.000 1.010 26 S CB -0.614 62.581 63.200 -0.009 0.000 0.891 26 S HN 0.783 nan 8.310 nan 0.000 0.442 27 N N 1.196 119.930 118.700 0.057 0.000 2.806 27 N HA 0.154 4.894 4.740 0.001 0.000 0.315 27 N C 0.728 176.325 175.510 0.145 0.000 1.738 27 N CA -0.156 52.950 53.050 0.093 0.000 0.993 27 N CB 0.779 39.309 38.487 0.072 0.000 1.324 27 N HN 0.544 nan 8.380 nan 0.000 0.493 28 K N 1.106 121.605 120.400 0.166 0.000 2.117 28 K HA -0.277 4.044 4.320 0.001 0.000 0.215 28 K C 1.236 178.076 176.600 0.400 0.000 1.053 28 K CA 1.528 57.960 56.287 0.243 0.000 0.935 28 K CB -0.370 32.257 32.500 0.211 0.000 0.719 28 K HN 0.334 nan 8.250 nan 0.000 0.460 29 E N 1.484 121.942 120.200 0.430 0.000 2.284 29 E HA -0.214 4.136 4.350 0.001 0.000 0.200 29 E C 1.987 178.742 176.600 0.258 0.000 1.008 29 E CA 1.045 57.690 56.400 0.409 0.000 0.829 29 E CB -0.559 29.316 29.700 0.292 0.000 0.744 29 E HN 0.339 nan 8.360 nan 0.000 0.491 30 I N 2.184 122.885 120.570 0.220 0.000 2.185 30 I HA -0.289 3.881 4.170 0.001 0.000 0.246 30 I C 2.574 178.710 176.117 0.030 0.000 1.088 30 I CA 1.390 62.750 61.300 0.100 0.000 1.347 30 I CB -1.460 36.594 38.000 0.090 0.000 1.041 30 I HN 0.217 nan 8.210 nan 0.000 0.415 31 F N 0.249 120.179 119.950 -0.033 0.000 2.287 31 F HA -0.201 4.327 4.527 0.001 0.000 0.301 31 F C 2.122 177.848 175.800 -0.123 0.000 1.069 31 F CA 1.206 59.156 58.000 -0.084 0.000 1.372 31 F CB -0.888 38.065 39.000 -0.079 0.000 1.056 31 F HN -0.015 nan 8.300 nan 0.000 0.523 32 L N 0.119 120.732 121.223 -1.016 0.000 1.993 32 L HA -0.127 4.214 4.340 0.001 0.000 0.206 32 L C 2.976 179.593 176.870 -0.422 0.000 1.074 32 L CA 1.214 55.543 54.840 -0.851 0.000 0.746 32 L CB -0.770 40.941 42.059 -0.581 0.000 0.896 32 L HN 0.093 nan 8.230 nan 0.000 0.435 33 R N 0.367 120.612 120.500 -0.426 0.000 2.134 33 R HA -0.226 4.115 4.340 0.001 0.000 0.248 33 R C 2.083 178.148 176.300 -0.392 0.000 1.143 33 R CA 1.804 57.450 56.100 -0.757 0.000 0.957 33 R CB -0.375 29.298 30.300 -1.046 0.000 0.867 33 R HN 0.381 nan 8.270 nan 0.000 0.441 34 E N 0.368 120.405 120.200 -0.271 0.000 2.028 34 E HA -0.129 4.222 4.350 0.001 0.000 0.191 34 E C 2.229 178.754 176.600 -0.126 0.000 0.988 34 E CA 0.885 57.194 56.400 -0.151 0.000 0.799 34 E CB -0.325 29.332 29.700 -0.073 0.000 0.755 34 E HN 0.352 nan 8.360 nan 0.000 0.447 35 L N 0.600 121.723 121.223 -0.167 0.000 2.027 35 L HA -0.164 4.177 4.340 0.001 0.000 0.206 35 L C 2.500 179.297 176.870 -0.120 0.000 1.074 35 L CA 0.580 55.347 54.840 -0.122 0.000 0.745 35 L CB -0.320 41.635 42.059 -0.174 0.000 0.898 35 L HN 0.146 nan 8.230 nan 0.000 0.433 36 I N -0.319 120.153 120.570 -0.163 0.000 2.151 36 I HA -0.344 3.827 4.170 0.001 0.000 0.243 36 I C 2.860 178.921 176.117 -0.094 0.000 1.080 36 I CA 1.792 63.022 61.300 -0.117 0.000 1.339 36 I CB -1.081 36.864 38.000 -0.092 0.000 1.039 36 I HN 0.335 nan 8.210 nan 0.000 0.409 37 S N 1.681 117.313 115.700 -0.113 0.000 2.359 37 S HA -0.249 4.222 4.470 0.001 0.000 0.222 37 S C 1.850 176.408 174.600 -0.070 0.000 1.038 37 S CA 2.021 60.166 58.200 -0.092 0.000 1.051 37 S CB -0.343 62.797 63.200 -0.100 0.000 0.944 37 S HN 0.427 nan 8.310 nan 0.000 0.433 38 N N 2.095 120.759 118.700 -0.060 0.000 2.132 38 N HA -0.101 4.640 4.740 0.001 0.000 0.191 38 N C 1.842 177.322 175.510 -0.050 0.000 1.015 38 N CA 1.542 54.564 53.050 -0.047 0.000 0.864 38 N CB -1.014 37.462 38.487 -0.018 0.000 1.006 38 N HN 0.622 nan 8.380 nan 0.000 0.430 39 A N 0.112 122.900 122.820 -0.054 0.000 1.929 39 A HA -0.096 4.224 4.320 0.001 0.000 0.216 39 A C 2.412 179.969 177.584 -0.045 0.000 1.176 39 A CA 1.734 53.740 52.037 -0.052 0.000 0.628 39 A CB -0.834 18.129 19.000 -0.061 0.000 0.816 39 A HN 0.365 nan 8.150 nan 0.000 0.444 40 S N 0.648 116.319 115.700 -0.049 0.000 2.378 40 S HA -0.264 4.207 4.470 0.001 0.000 0.221 40 S C 1.659 176.237 174.600 -0.038 0.000 1.037 40 S CA 2.013 60.188 58.200 -0.043 0.000 1.069 40 S CB -0.729 62.436 63.200 -0.058 0.000 1.006 40 S HN 0.526 nan 8.310 nan 0.000 0.423 41 D N 1.962 122.334 120.400 -0.047 0.000 2.191 41 D HA -0.116 4.524 4.640 0.001 0.000 0.195 41 D C 2.216 178.495 176.300 -0.035 0.000 1.003 41 D CA 1.463 55.436 54.000 -0.046 0.000 0.867 41 D CB -0.971 39.796 40.800 -0.055 0.000 0.926 41 D HN 0.543 nan 8.370 nan 0.000 0.450 42 A N 1.238 124.037 122.820 -0.035 0.000 1.842 42 A HA -0.134 4.187 4.320 0.001 0.000 0.217 42 A C 2.379 179.956 177.584 -0.011 0.000 1.206 42 A CA 3.018 55.038 52.037 -0.028 0.000 0.630 42 A CB -1.238 17.741 19.000 -0.035 0.000 0.839 42 A HN 0.267 nan 8.150 nan 0.000 0.447 43 A N -0.331 122.487 122.820 -0.003 0.000 1.849 43 A HA -0.304 4.017 4.320 0.001 0.000 0.217 43 A C 1.863 179.472 177.584 0.041 0.000 1.202 43 A CA 2.582 54.633 52.037 0.024 0.000 0.629 43 A CB -1.222 17.793 19.000 0.024 0.000 0.834 43 A HN 0.609 nan 8.150 nan 0.000 0.447 44 D N -1.103 119.316 120.400 0.032 0.000 2.158 44 D HA -0.208 4.433 4.640 0.001 0.000 0.197 44 D C 1.934 178.276 176.300 0.070 0.000 0.995 44 D CA 1.858 55.889 54.000 0.052 0.000 0.846 44 D CB -0.066 40.747 40.800 0.021 0.000 0.941 44 D HN 0.497 nan 8.370 nan 0.000 0.456 45 K N -0.524 119.895 120.400 0.031 0.000 2.009 45 K HA -0.153 4.168 4.320 0.001 0.000 0.210 45 K C 2.018 178.664 176.600 0.076 0.000 1.049 45 K CA 1.146 57.453 56.287 0.034 0.000 0.929 45 K CB -0.409 32.087 32.500 -0.007 0.000 0.714 45 K HN 0.165 nan 8.250 nan 0.000 0.440 46 L N 1.423 122.663 121.223 0.029 0.000 2.017 46 L HA -0.154 4.187 4.340 0.001 0.000 0.208 46 L C 1.989 178.833 176.870 -0.043 0.000 1.073 46 L CA 1.687 56.513 54.840 -0.024 0.000 0.745 46 L CB -0.612 41.423 42.059 -0.039 0.000 0.894 46 L HN 0.142 nan 8.230 nan 0.000 0.432 47 R N -1.247 119.284 120.500 0.051 0.000 2.112 47 R HA -0.273 4.068 4.340 0.001 0.000 0.242 47 R C 2.312 178.659 176.300 0.079 0.000 1.137 47 R CA 2.320 58.487 56.100 0.111 0.000 0.944 47 R CB -0.954 29.442 30.300 0.161 0.000 0.857 47 R HN 0.477 nan 8.270 nan 0.000 0.435 48 F N 1.657 121.596 119.950 -0.019 0.000 2.186 48 F HA -0.123 4.405 4.527 0.001 0.000 0.299 48 F C 2.187 177.960 175.800 -0.045 0.000 1.090 48 F CA 1.323 59.311 58.000 -0.020 0.000 1.307 48 F CB 0.075 39.065 39.000 -0.017 0.000 1.019 48 F HN -0.154 nan 8.300 nan 0.000 0.489 49 R N 0.280 120.830 120.500 0.083 0.000 2.280 49 R HA 0.053 4.394 4.340 0.001 0.000 0.207 49 R C 1.781 177.985 176.300 -0.160 0.000 1.043 49 R CA 0.910 56.995 56.100 -0.024 0.000 1.006 49 R CB -0.858 29.447 30.300 0.008 0.000 0.885 49 R HN 0.386 nan 8.270 nan 0.000 0.467 50 A N 0.547 123.241 122.820 -0.210 0.000 2.303 50 A HA 0.172 4.493 4.320 0.001 0.000 0.217 50 A C 2.019 179.519 177.584 -0.139 0.000 1.205 50 A CA -0.208 51.676 52.037 -0.255 0.000 0.875 50 A CB -0.014 18.636 19.000 -0.583 0.000 0.910 50 A HN 0.091 nan 8.150 nan 0.000 0.501 51 L N -0.053 121.057 121.223 -0.188 0.000 2.187 51 L HA -0.175 4.166 4.340 0.001 0.000 0.213 51 L C 1.947 178.712 176.870 -0.175 0.000 1.100 51 L CA 1.306 56.028 54.840 -0.196 0.000 0.765 51 L CB -0.388 41.454 42.059 -0.362 0.000 0.904 51 L HN 0.421 nan 8.230 nan 0.000 0.437 52 S N -0.957 114.631 115.700 -0.187 0.000 3.798 52 S HA 0.010 4.481 4.470 0.001 0.000 0.185 52 S C 0.442 174.986 174.600 -0.093 0.000 0.882 52 S CA -0.530 57.590 58.200 -0.132 0.000 1.488 52 S CB -0.281 62.840 63.200 -0.131 0.000 0.639 52 S HN 0.254 nan 8.310 nan 0.000 0.687 53 N N 3.820 122.470 118.700 -0.083 0.000 2.328 53 N HA 0.041 4.782 4.740 0.001 0.000 0.290 53 N C -2.150 173.324 175.510 -0.061 0.000 1.355 53 N CA -1.079 51.935 53.050 -0.061 0.000 1.009 53 N CB 0.365 38.819 38.487 -0.055 0.000 1.426 53 N HN 0.029 nan 8.380 nan 0.000 0.488 54 P HA -0.144 nan 4.420 nan 0.000 0.218 54 P C 0.251 177.572 177.300 0.034 0.000 1.148 54 P CA 1.152 64.258 63.100 0.011 0.000 0.822 54 P CB 0.038 31.755 31.700 0.029 0.000 0.784 55 D N -0.751 119.656 120.400 0.011 0.000 2.352 55 D HA -0.059 4.582 4.640 0.001 0.000 0.232 55 D C 1.627 177.926 176.300 -0.002 0.000 1.055 55 D CA 0.201 54.218 54.000 0.027 0.000 0.891 55 D CB -0.554 40.256 40.800 0.016 0.000 0.897 55 D HN 0.245 nan 8.370 nan 0.000 0.529 56 L N -0.287 120.889 121.223 -0.080 0.000 2.353 56 L HA -0.170 4.171 4.340 0.001 0.000 0.220 56 L C 1.555 178.330 176.870 -0.159 0.000 1.133 56 L CA 0.805 55.555 54.840 -0.151 0.000 0.798 56 L CB -0.299 41.610 42.059 -0.250 0.000 0.922 56 L HN 0.026 nan 8.230 nan 0.000 0.445 57 Y N -0.085 120.215 120.300 -0.000 0.000 2.519 57 Y HA -0.103 4.448 4.550 0.001 0.000 0.287 57 Y C 1.265 177.166 175.900 0.001 0.000 1.128 57 Y CA -0.005 58.096 58.100 0.002 0.000 1.282 57 Y CB -0.116 38.347 38.460 0.006 0.000 1.027 57 Y HN 0.189 nan 8.280 nan 0.000 0.551 58 E N -0.800 119.478 120.200 0.130 0.000 2.805 58 E HA -0.331 4.020 4.350 0.001 0.000 0.266 58 E C 1.446 178.095 176.600 0.083 0.000 1.092 58 E CA 0.402 56.850 56.400 0.081 0.000 0.781 58 E CB -1.396 28.337 29.700 0.056 0.000 1.379 58 E HN 0.695 nan 8.360 nan 0.000 0.433 59 G N 0.035 108.901 108.800 0.109 0.000 3.079 59 G HA2 -0.291 3.670 3.960 0.001 0.000 0.214 59 G HA3 -0.291 3.670 3.960 0.001 0.000 0.214 59 G C -0.313 174.610 174.900 0.038 0.000 1.335 59 G CA -0.065 45.073 45.100 0.063 0.000 0.822 59 G HN 0.273 nan 8.290 nan 0.000 0.545 60 D N 2.486 122.916 120.400 0.051 0.000 2.382 60 D HA 0.435 5.076 4.640 0.001 0.000 0.259 60 D C 1.331 177.615 176.300 -0.027 0.000 1.224 60 D CA 0.718 54.726 54.000 0.014 0.000 0.894 60 D CB 0.965 41.782 40.800 0.027 0.000 1.127 60 D HN 0.451 nan 8.370 nan 0.000 0.487 61 G N 1.762 110.499 108.800 -0.105 0.000 2.417 61 G HA2 -0.042 3.919 3.960 0.001 0.000 0.212 61 G HA3 -0.042 3.919 3.960 0.001 0.000 0.212 61 G C 0.704 175.518 174.900 -0.143 0.000 1.187 61 G CA 0.319 45.281 45.100 -0.229 0.000 0.804 61 G HN 0.658 nan 8.290 nan 0.000 0.534 62 E N 0.602 120.755 120.200 -0.078 0.000 2.406 62 E HA 0.503 4.854 4.350 0.001 0.000 0.258 62 E C -0.313 176.270 176.600 -0.029 0.000 1.043 62 E CA -0.152 56.218 56.400 -0.050 0.000 0.929 62 E CB -0.055 29.619 29.700 -0.045 0.000 0.969 62 E HN 0.356 nan 8.360 nan 0.000 0.462 63 L N 3.768 124.986 121.223 -0.008 0.000 2.264 63 L HA 0.641 4.982 4.340 0.001 0.000 0.289 63 L C 0.448 177.304 176.870 -0.022 0.000 1.044 63 L CA -0.900 53.944 54.840 0.006 0.000 0.807 63 L CB 0.884 42.973 42.059 0.050 0.000 1.192 63 L HN 0.791 nan 8.230 nan 0.000 0.425 64 R N 3.557 124.026 120.500 -0.052 0.000 2.680 64 R HA 0.565 4.906 4.340 0.001 0.000 0.269 64 R C -2.148 174.088 176.300 -0.106 0.000 1.026 64 R CA -0.732 55.320 56.100 -0.079 0.000 0.889 64 R CB 1.476 31.710 30.300 -0.111 0.000 1.241 64 R HN 0.295 nan 8.270 nan 0.000 0.463 65 V N 2.957 122.809 119.914 -0.103 0.000 2.417 65 V HA 0.600 4.721 4.120 0.001 0.000 0.291 65 V C -0.540 175.464 176.094 -0.151 0.000 1.024 65 V CA -0.804 61.425 62.300 -0.119 0.000 0.861 65 V CB 1.286 33.058 31.823 -0.086 0.000 0.985 65 V HN 0.718 nan 8.190 nan 0.000 0.436 66 R N 4.943 125.317 120.500 -0.210 0.000 2.393 66 R HA 0.603 4.944 4.340 0.001 0.000 0.315 66 R C -1.338 174.875 176.300 -0.146 0.000 0.952 66 R CA -0.665 55.277 56.100 -0.265 0.000 0.842 66 R CB 2.172 32.081 30.300 -0.653 0.000 1.163 66 R HN 0.568 nan 8.270 nan 0.000 0.450 67 V N 3.317 123.198 119.914 -0.056 0.000 2.364 67 V HA 0.242 4.362 4.120 0.001 0.000 0.272 67 V C 0.236 176.241 176.094 -0.149 0.000 1.036 67 V CA -0.297 61.915 62.300 -0.147 0.000 0.880 67 V CB 1.047 32.763 31.823 -0.178 0.000 0.991 67 V HN 0.928 nan 8.190 nan 0.000 0.460 68 S N 4.571 120.114 115.700 -0.262 0.000 2.715 68 S HA 0.921 5.392 4.470 0.001 0.000 0.307 68 S C -0.973 173.284 174.600 -0.572 0.000 1.119 68 S CA -0.703 57.378 58.200 -0.199 0.000 0.937 68 S CB 2.082 65.403 63.200 0.201 0.000 1.150 68 S HN 0.277 nan 8.310 nan 0.000 0.521 69 F N -0.253 119.755 119.950 0.096 0.000 2.764 69 F HA 0.734 5.262 4.527 0.001 0.000 0.347 69 F C -0.789 175.039 175.800 0.047 0.000 1.151 69 F CA -0.780 57.261 58.000 0.069 0.000 1.021 69 F CB 1.452 40.489 39.000 0.062 0.000 1.438 69 F HN 0.663 nan 8.300 nan 0.000 0.516 70 D N -0.529 120.023 120.400 0.254 0.000 2.354 70 D HA 0.280 4.921 4.640 0.001 0.000 0.230 70 D C 0.143 176.502 176.300 0.099 0.000 1.361 70 D CA -0.128 53.955 54.000 0.137 0.000 0.992 70 D CB 1.227 42.075 40.800 0.079 0.000 1.409 70 D HN 0.597 nan 8.370 nan 0.000 0.573 71 K N 2.189 122.636 120.400 0.077 0.000 2.515 71 K HA -0.051 4.270 4.320 0.001 0.000 0.196 71 K C 1.033 177.648 176.600 0.024 0.000 1.038 71 K CA 1.203 57.513 56.287 0.039 0.000 0.967 71 K CB -0.374 32.133 32.500 0.012 0.000 0.780 71 K HN 0.507 nan 8.250 nan 0.000 0.483 72 D N 0.348 120.764 120.400 0.026 0.000 2.119 72 D HA -0.010 4.631 4.640 0.001 0.000 0.231 72 D C 2.370 178.671 176.300 0.003 0.000 0.999 72 D CA 1.793 55.803 54.000 0.016 0.000 0.915 72 D CB -0.200 40.612 40.800 0.021 0.000 1.017 72 D HN 0.382 nan 8.370 nan 0.000 0.437 73 K N 1.090 121.487 120.400 -0.004 0.000 2.574 73 K HA -0.057 4.264 4.320 0.001 0.000 0.193 73 K C 0.754 177.275 176.600 -0.132 0.000 1.035 73 K CA 0.368 56.629 56.287 -0.043 0.000 0.982 73 K CB -0.874 31.611 32.500 -0.024 0.000 0.795 73 K HN 0.286 nan 8.250 nan 0.000 0.491 74 R N 0.549 121.008 120.500 -0.069 0.000 3.267 74 R HA -0.111 4.230 4.340 0.001 0.000 0.254 74 R C -0.371 175.859 176.300 -0.117 0.000 0.993 74 R CA 0.856 56.913 56.100 -0.071 0.000 0.670 74 R CB -2.833 27.414 30.300 -0.088 0.000 1.125 74 R HN 0.760 nan 8.270 nan 0.000 0.434 75 T N -2.004 112.527 114.554 -0.038 0.000 2.888 75 T HA 0.662 5.013 4.350 0.001 0.000 0.284 75 T C -0.036 174.710 174.700 0.077 0.000 1.017 75 T CA -1.079 61.013 62.100 -0.013 0.000 1.022 75 T CB 2.500 71.362 68.868 -0.010 0.000 1.013 75 T HN 0.225 nan 8.240 nan 0.000 0.465 76 L N 2.240 123.502 121.223 0.066 0.000 2.316 76 L HA 0.556 4.897 4.340 0.001 0.000 0.280 76 L C -0.581 176.271 176.870 -0.030 0.000 1.006 76 L CA -0.172 54.688 54.840 0.033 0.000 0.836 76 L CB 1.556 43.694 42.059 0.133 0.000 1.221 76 L HN 0.886 nan 8.230 nan 0.000 0.418 77 T N 6.457 120.951 114.554 -0.100 0.000 2.801 77 T HA 0.513 4.863 4.350 0.001 0.000 0.306 77 T C 0.045 174.681 174.700 -0.106 0.000 1.020 77 T CA -0.131 61.929 62.100 -0.066 0.000 0.948 77 T CB 0.270 69.125 68.868 -0.022 0.000 0.962 77 T HN 0.353 nan 8.240 nan 0.000 0.465 78 I N 3.739 124.256 120.570 -0.087 0.000 2.353 78 I HA 0.431 4.602 4.170 0.001 0.000 0.293 78 I C 0.422 176.492 176.117 -0.079 0.000 0.992 78 I CA -0.420 60.819 61.300 -0.102 0.000 1.268 78 I CB 1.117 39.052 38.000 -0.108 0.000 1.387 78 I HN 0.612 nan 8.210 nan 0.000 0.478 79 S N 3.362 119.004 115.700 -0.098 0.000 2.540 79 S HA 0.701 5.172 4.470 0.001 0.000 0.275 79 S C -1.291 173.242 174.600 -0.111 0.000 1.123 79 S CA -1.037 57.108 58.200 -0.091 0.000 0.907 79 S CB 2.204 65.351 63.200 -0.088 0.000 1.081 79 S HN 0.652 nan 8.310 nan 0.000 0.476 80 D N -0.460 119.887 120.400 -0.087 0.000 2.671 80 D HA 0.375 5.016 4.640 0.001 0.000 0.232 80 D C -0.304 175.956 176.300 -0.067 0.000 1.114 80 D CA -0.890 53.060 54.000 -0.084 0.000 0.858 80 D CB 0.763 41.524 40.800 -0.066 0.000 1.544 80 D HN 0.388 nan 8.370 nan 0.000 0.471 81 N N 0.882 119.546 118.700 -0.061 0.000 2.597 81 N HA 0.175 4.916 4.740 0.001 0.000 0.269 81 N C 0.615 176.119 175.510 -0.010 0.000 1.204 81 N CA -0.550 52.480 53.050 -0.033 0.000 0.947 81 N CB 0.181 38.651 38.487 -0.029 0.000 1.258 81 N HN 0.531 nan 8.380 nan 0.000 0.508 82 G N -0.114 108.674 108.800 -0.020 0.000 2.481 82 G HA2 0.053 4.013 3.960 0.001 0.000 0.251 82 G HA3 0.053 4.013 3.960 0.001 0.000 0.251 82 G C 0.824 175.716 174.900 -0.014 0.000 1.492 82 G CA -0.012 45.081 45.100 -0.012 0.000 1.060 82 G HN 0.141 nan 8.290 nan 0.000 0.553 83 V N -0.101 119.800 119.914 -0.021 0.000 2.788 83 V HA 0.406 4.527 4.120 0.001 0.000 0.251 83 V C 1.427 177.500 176.094 -0.034 0.000 1.068 83 V CA 1.997 64.279 62.300 -0.029 0.000 1.090 83 V CB -1.144 30.663 31.823 -0.027 0.000 0.710 83 V HN 2.007 nan 8.190 nan 0.000 0.467 84 G N 0.363 109.139 108.800 -0.040 0.000 2.846 84 G HA2 -0.244 3.717 3.960 0.001 0.000 0.660 84 G HA3 -0.244 3.717 3.960 0.001 0.000 0.660 84 G C -0.643 174.222 174.900 -0.059 0.000 1.464 84 G CA 0.139 45.209 45.100 -0.050 0.000 0.891 84 G HN 0.544 nan 8.290 nan 0.000 0.552 85 M N 0.847 120.401 119.600 -0.076 0.000 2.528 85 M HA 0.609 5.090 4.480 0.001 0.000 0.318 85 M C 1.207 177.462 176.300 -0.075 0.000 1.195 85 M CA -0.094 55.149 55.300 -0.096 0.000 1.000 85 M CB 1.998 34.509 32.600 -0.148 0.000 1.615 85 M HN 1.069 nan 8.290 nan 0.000 0.469 86 T N -2.107 112.399 114.554 -0.080 0.000 2.867 86 T HA 0.373 4.724 4.350 0.001 0.000 0.286 86 T C 1.000 175.666 174.700 -0.057 0.000 1.022 86 T CA -0.500 61.568 62.100 -0.054 0.000 0.933 86 T CB 0.911 69.749 68.868 -0.049 0.000 1.280 86 T HN 0.765 nan 8.240 nan 0.000 0.566 87 R N 0.054 120.540 120.500 -0.023 0.000 2.057 87 R HA -0.092 4.249 4.340 0.001 0.000 0.229 87 R C 1.891 178.180 176.300 -0.018 0.000 1.136 87 R CA 1.799 57.903 56.100 0.006 0.000 0.952 87 R CB -0.611 29.712 30.300 0.038 0.000 0.848 87 R HN 0.727 nan 8.270 nan 0.000 0.430 88 D N 0.715 121.093 120.400 -0.036 0.000 2.092 88 D HA -0.193 4.448 4.640 0.001 0.000 0.193 88 D C 1.767 177.977 176.300 -0.150 0.000 0.994 88 D CA 1.473 55.438 54.000 -0.057 0.000 0.828 88 D CB -0.216 40.553 40.800 -0.052 0.000 0.963 88 D HN 0.431 nan 8.370 nan 0.000 0.450 89 E N 0.783 120.854 120.200 -0.215 0.000 2.048 89 E HA -0.171 4.179 4.350 0.001 0.000 0.202 89 E C 2.480 178.807 176.600 -0.455 0.000 1.021 89 E CA 0.913 57.060 56.400 -0.421 0.000 0.825 89 E CB -0.387 29.121 29.700 -0.320 0.000 0.756 89 E HN 0.109 nan 8.360 nan 0.000 0.454 90 V N 2.578 122.320 119.914 -0.286 0.000 2.220 90 V HA -0.303 3.818 4.120 0.001 0.000 0.250 90 V C 2.631 178.549 176.094 -0.293 0.000 1.056 90 V CA 2.414 64.532 62.300 -0.304 0.000 1.016 90 V CB -0.798 30.928 31.823 -0.162 0.000 0.639 90 V HN 0.405 nan 8.190 nan 0.000 0.446 91 I N -1.877 118.623 120.570 -0.117 0.000 2.756 91 I HA -0.155 4.016 4.170 0.001 0.000 0.262 91 I C 2.001 178.098 176.117 -0.033 0.000 1.225 91 I CA 2.219 63.516 61.300 -0.005 0.000 1.472 91 I CB -0.524 37.580 38.000 0.173 0.000 1.094 91 I HN 0.356 nan 8.210 nan 0.000 0.454 92 D N -0.274 120.054 120.400 -0.120 0.000 2.366 92 D HA -0.090 4.551 4.640 0.001 0.000 0.205 92 D C 1.481 177.832 176.300 0.086 0.000 1.022 92 D CA 0.576 54.542 54.000 -0.057 0.000 0.868 92 D CB 0.294 41.019 40.800 -0.127 0.000 0.953 92 D HN 0.465 nan 8.370 nan 0.000 0.514 93 H N -0.022 118.945 119.070 -0.172 0.000 2.398 93 H HA 0.220 4.777 4.556 0.001 0.000 0.279 93 H C 2.217 177.380 175.328 -0.276 0.000 1.114 93 H CA 0.135 56.060 56.048 -0.205 0.000 1.609 93 H CB -0.583 29.023 29.762 -0.260 0.000 1.460 93 H HN -0.065 nan 8.280 nan 0.000 0.608 94 L N 0.536 121.499 121.223 -0.433 0.000 2.129 94 L HA -0.131 4.210 4.340 0.001 0.000 0.212 94 L C 2.480 179.082 176.870 -0.445 0.000 1.087 94 L CA 1.406 55.712 54.840 -0.891 0.000 0.757 94 L CB -0.888 40.106 42.059 -1.775 0.000 0.896 94 L HN 0.371 nan 8.230 nan 0.000 0.434 95 G N -1.057 107.527 108.800 -0.359 0.000 2.418 95 G HA2 -0.282 3.679 3.960 0.001 0.000 0.217 95 G HA3 -0.282 3.679 3.960 0.001 0.000 0.217 95 G C 1.587 176.565 174.900 0.129 0.000 1.158 95 G CA 1.423 46.342 45.100 -0.303 0.000 0.771 95 G HN 0.393 nan 8.290 nan 0.000 0.545 96 T N -1.947 112.682 114.554 0.125 0.000 3.356 96 T HA 0.418 4.769 4.350 0.001 0.000 0.220 96 T C 1.499 176.222 174.700 0.038 0.000 0.963 96 T CA 1.698 63.865 62.100 0.112 0.000 1.540 96 T CB 0.063 68.962 68.868 0.053 0.000 1.320 96 T HN 0.323 nan 8.240 nan 0.000 0.448 97 I N -1.598 118.991 120.570 0.032 0.000 1.779 97 I HA 0.439 4.610 4.170 0.001 0.000 0.293 97 I C -1.695 174.460 176.117 0.064 0.000 0.681 97 I CA 0.178 61.428 61.300 -0.085 0.000 2.765 97 I CB -0.144 37.633 38.000 -0.373 0.000 1.838 97 I HN 0.519 nan 8.210 nan 0.000 0.469 98 A N 0.757 123.572 122.820 -0.008 0.000 2.364 98 A HA 0.557 4.878 4.320 0.001 0.000 0.303 98 A C 0.038 177.616 177.584 -0.009 0.000 1.078 98 A CA 0.312 52.356 52.037 0.011 0.000 0.970 98 A CB 0.441 19.472 19.000 0.051 0.000 1.497 98 A HN 0.496 nan 8.150 nan 0.000 0.376 99 K N 0.776 121.165 120.400 -0.017 0.000 2.026 99 K HA -0.105 4.215 4.320 0.001 0.000 0.208 99 K C 2.284 178.886 176.600 0.003 0.000 1.048 99 K CA 2.677 58.956 56.287 -0.014 0.000 0.929 99 K CB -0.893 31.592 32.500 -0.024 0.000 0.713 99 K HN 1.869 nan 8.250 nan 0.000 0.439 100 S N -0.033 115.671 115.700 0.007 0.000 2.383 100 S HA 0.037 4.508 4.470 0.001 0.000 0.227 100 S C 2.391 177.024 174.600 0.054 0.000 1.026 100 S CA 1.187 59.402 58.200 0.025 0.000 0.981 100 S CB -0.912 62.300 63.200 0.020 0.000 0.818 100 S HN 0.746 nan 8.310 nan 0.000 0.472 101 G N 2.366 111.199 108.800 0.055 0.000 2.739 101 G HA2 -0.325 3.636 3.960 0.001 0.000 0.216 101 G HA3 -0.325 3.636 3.960 0.001 0.000 0.216 101 G C 1.785 176.740 174.900 0.091 0.000 1.298 101 G CA 2.694 47.842 45.100 0.079 0.000 0.804 101 G HN 0.760 nan 8.290 nan 0.000 0.623 102 T N -0.604 113.969 114.554 0.033 0.000 2.685 102 T HA -0.223 4.128 4.350 0.001 0.000 0.268 102 T C 2.128 176.891 174.700 0.106 0.000 1.034 102 T CA 2.211 64.336 62.100 0.043 0.000 1.149 102 T CB -0.368 68.498 68.868 -0.003 0.000 0.860 102 T HN 0.337 nan 8.240 nan 0.000 0.449 103 K N 0.558 120.996 120.400 0.065 0.000 1.978 103 K HA -0.076 4.245 4.320 0.001 0.000 0.214 103 K C 2.730 179.360 176.600 0.050 0.000 1.049 103 K CA 1.838 58.153 56.287 0.046 0.000 0.939 103 K CB -0.644 31.873 32.500 0.028 0.000 0.721 103 K HN 0.416 nan 8.250 nan 0.000 0.441 104 S N 0.363 116.105 115.700 0.070 0.000 2.447 104 S HA -0.099 4.372 4.470 0.001 0.000 0.233 104 S C 1.444 176.050 174.600 0.010 0.000 1.006 104 S CA 0.735 58.970 58.200 0.058 0.000 0.957 104 S CB -0.273 62.990 63.200 0.104 0.000 0.773 104 S HN 0.339 nan 8.310 nan 0.000 0.507 105 F N 2.099 121.978 119.950 -0.118 0.000 2.113 105 F HA -0.024 4.504 4.527 0.001 0.000 0.297 105 F C 1.812 177.430 175.800 -0.304 0.000 1.103 105 F CA 1.254 59.062 58.000 -0.320 0.000 1.248 105 F CB -0.233 38.660 39.000 -0.179 0.000 0.999 105 F HN 0.091 nan 8.300 nan 0.000 0.475 106 L N 0.490 121.714 121.223 0.001 0.000 1.994 106 L HA -0.236 4.104 4.340 0.001 0.000 0.208 106 L C 2.562 179.334 176.870 -0.162 0.000 1.071 106 L CA 2.194 56.997 54.840 -0.062 0.000 0.745 106 L CB -1.105 40.969 42.059 0.025 0.000 0.892 106 L HN 0.335 nan 8.230 nan 0.000 0.431 107 E N -0.945 119.185 120.200 -0.117 0.000 2.418 107 E HA -0.187 4.164 4.350 0.001 0.000 0.197 107 E C 2.055 178.560 176.600 -0.158 0.000 1.026 107 E CA 1.117 57.453 56.400 -0.107 0.000 0.862 107 E CB -0.032 29.634 29.700 -0.058 0.000 0.799 107 E HN 0.236 nan 8.360 nan 0.000 0.518 108 S N 0.154 115.692 115.700 -0.270 0.000 2.406 108 S HA 0.034 4.505 4.470 0.001 0.000 0.228 108 S C 1.016 175.387 174.600 -0.381 0.000 1.020 108 S CA -0.133 57.859 58.200 -0.347 0.000 0.965 108 S CB -0.314 62.506 63.200 -0.635 0.000 0.798 108 S HN 0.276 nan 8.310 nan 0.000 0.488 109 L N 1.353 122.308 121.223 -0.445 0.000 2.540 109 L HA 0.211 4.551 4.340 0.001 0.000 0.276 109 L C 1.542 178.284 176.870 -0.213 0.000 1.212 109 L CA 0.723 55.326 54.840 -0.395 0.000 0.893 109 L CB 0.281 42.141 42.059 -0.331 0.000 1.138 109 L HN 0.502 nan 8.230 nan 0.000 0.491 110 G N 1.455 110.153 108.800 -0.169 0.000 2.176 110 G HA2 -0.269 3.692 3.960 0.001 0.000 0.253 110 G HA3 -0.269 3.692 3.960 0.001 0.000 0.253 110 G C 0.299 175.156 174.900 -0.071 0.000 0.979 110 G CA 0.134 45.176 45.100 -0.096 0.000 0.641 110 G HN 0.971 nan 8.290 nan 0.000 0.530 111 S N 0.155 115.807 115.700 -0.080 0.000 2.617 111 S HA 0.631 5.102 4.470 0.001 0.000 0.283 111 S C 1.023 175.609 174.600 -0.022 0.000 1.189 111 S CA 0.321 58.493 58.200 -0.046 0.000 1.036 111 S CB 0.740 63.912 63.200 -0.046 0.000 1.014 111 S HN 0.102 nan 8.310 nan 0.000 0.522 112 D N 1.336 121.730 120.400 -0.009 0.000 2.133 112 D HA -0.231 4.409 4.640 0.001 0.000 0.192 112 D C 2.216 178.526 176.300 0.016 0.000 1.001 112 D CA 1.983 55.984 54.000 0.002 0.000 0.844 112 D CB -0.084 40.718 40.800 0.002 0.000 0.944 112 D HN 0.820 nan 8.370 nan 0.000 0.447 113 Q N 1.543 121.358 119.800 0.025 0.000 2.012 113 Q HA -0.251 4.090 4.340 0.001 0.000 0.211 113 Q C 2.315 178.373 176.000 0.096 0.000 1.009 113 Q CA 2.018 57.853 55.803 0.054 0.000 0.866 113 Q CB -0.978 27.801 28.738 0.069 0.000 0.945 113 Q HN 0.243 nan 8.270 nan 0.000 0.414 114 A N 2.248 125.124 122.820 0.094 0.000 1.859 114 A HA -0.258 4.063 4.320 0.001 0.000 0.217 114 A C 2.577 180.220 177.584 0.098 0.000 1.198 114 A CA 3.757 55.869 52.037 0.124 0.000 0.629 114 A CB -1.401 17.529 19.000 -0.117 0.000 0.830 114 A HN 0.662 nan 8.150 nan 0.000 0.446 115 K N 0.770 121.188 120.400 0.031 0.000 1.975 115 K HA -0.174 4.146 4.320 0.001 0.000 0.225 115 K C 0.777 177.402 176.600 0.042 0.000 1.050 115 K CA 2.051 58.355 56.287 0.028 0.000 0.992 115 K CB -1.884 30.622 32.500 0.010 0.000 0.738 115 K HN 0.881 nan 8.250 nan 0.000 0.446 116 D N -0.909 119.510 120.400 0.031 0.000 2.345 116 D HA 0.448 5.089 4.640 0.001 0.000 0.247 116 D C 0.213 176.524 176.300 0.019 0.000 1.108 116 D CA 0.366 54.379 54.000 0.022 0.000 0.894 116 D CB 1.320 42.129 40.800 0.014 0.000 1.203 116 D HN 0.544 nan 8.370 nan 0.000 0.430 117 S N 0.925 116.632 115.700 0.011 0.000 3.683 117 S HA -0.226 4.245 4.470 0.001 0.000 0.636 117 S C 0.377 174.969 174.600 -0.013 0.000 2.235 117 S CA 0.104 58.304 58.200 -0.001 0.000 2.445 117 S CB -0.929 62.269 63.200 -0.004 0.000 0.330 117 S HN 0.781 nan 8.310 nan 0.000 1.763 118 Q N 0.953 120.737 119.800 -0.027 0.000 2.239 118 Q HA 0.341 4.682 4.340 0.001 0.000 0.219 118 Q C 1.930 177.878 176.000 -0.086 0.000 0.901 118 Q CA 0.554 56.327 55.803 -0.049 0.000 0.949 118 Q CB -0.577 28.137 28.738 -0.040 0.000 1.038 118 Q HN 0.707 nan 8.270 nan 0.000 0.458 119 L N -0.565 120.609 121.223 -0.081 0.000 2.456 119 L HA -0.047 4.294 4.340 0.001 0.000 0.224 119 L C 2.577 179.241 176.870 -0.343 0.000 1.148 119 L CA 1.725 56.484 54.840 -0.135 0.000 0.825 119 L CB -1.945 40.087 42.059 -0.045 0.000 0.937 119 L HN 0.521 nan 8.230 nan 0.000 0.450 120 I N -0.014 120.397 120.570 -0.265 0.000 2.657 120 I HA 0.183 4.354 4.170 0.001 0.000 0.261 120 I C 2.078 177.891 176.117 -0.506 0.000 1.212 120 I CA 1.364 62.429 61.300 -0.392 0.000 1.453 120 I CB -1.687 36.287 38.000 -0.043 0.000 1.092 120 I HN 0.551 nan 8.210 nan 0.000 0.452 121 G N -0.232 108.370 108.800 -0.331 0.000 3.284 121 G HA2 0.440 4.401 3.960 0.001 0.000 0.251 121 G HA3 0.440 4.401 3.960 0.001 0.000 0.251 121 G C 0.600 175.307 174.900 -0.322 0.000 0.913 121 G CA 0.903 45.856 45.100 -0.245 0.000 1.947 121 G HN 1.226 nan 8.290 nan 0.000 0.635 122 Q N 0.059 119.494 119.800 -0.608 0.000 2.123 122 Q HA 0.375 4.715 4.340 0.001 0.000 0.244 122 Q C 0.332 176.250 176.000 -0.137 0.000 0.769 122 Q CA -0.193 55.339 55.803 -0.452 0.000 0.938 122 Q CB 0.203 28.626 28.738 -0.524 0.000 1.170 122 Q HN 0.341 nan 8.270 nan 0.000 0.469 123 F N 1.565 121.587 119.950 0.120 0.000 2.344 123 F HA 0.619 5.146 4.527 0.001 0.000 0.344 123 F C 1.065 176.947 175.800 0.136 0.000 1.140 123 F CA -2.124 55.985 58.000 0.183 0.000 1.256 123 F CB 0.835 40.082 39.000 0.412 0.000 1.573 123 F HN 0.150 nan 8.300 nan 0.000 0.547 124 G N 2.089 111.025 108.800 0.226 0.000 2.494 124 G HA2 0.410 4.370 3.960 0.001 0.000 0.297 124 G HA3 0.410 4.370 3.960 0.001 0.000 0.297 124 G C 0.277 175.248 174.900 0.119 0.000 0.971 124 G CA -0.153 45.025 45.100 0.131 0.000 1.378 124 G HN 0.682 nan 8.290 nan 0.000 0.456 125 V N 2.602 122.585 119.914 0.116 0.000 3.376 125 V HA 0.729 4.850 4.120 0.001 0.000 0.303 125 V C 1.195 177.355 176.094 0.109 0.000 1.100 125 V CA 0.422 62.786 62.300 0.105 0.000 1.126 125 V CB 0.661 32.552 31.823 0.113 0.000 1.085 125 V HN 0.792 nan 8.190 nan 0.000 0.480 126 G N -0.531 108.355 108.800 0.143 0.000 3.434 126 G HA2 0.305 4.266 3.960 0.001 0.000 0.197 126 G HA3 0.305 4.266 3.960 0.001 0.000 0.197 126 G C 0.802 175.815 174.900 0.188 0.000 1.559 126 G CA 0.781 45.968 45.100 0.145 0.000 0.852 126 G HN 0.945 nan 8.290 nan 0.000 0.682 127 F N 0.187 120.182 119.950 0.075 0.000 2.115 127 F HA -0.193 4.335 4.527 0.001 0.000 0.300 127 F C 2.344 178.182 175.800 0.063 0.000 1.092 127 F CA 1.793 59.804 58.000 0.018 0.000 1.245 127 F CB -0.283 38.681 39.000 -0.061 0.000 0.995 127 F HN 0.237 nan 8.300 nan 0.000 0.481 128 Y N 0.844 121.204 120.300 0.100 0.000 2.651 128 Y HA -0.177 4.373 4.550 0.001 0.000 0.296 128 Y C 2.859 178.815 175.900 0.094 0.000 1.150 128 Y CA 1.094 59.296 58.100 0.170 0.000 1.348 128 Y CB -1.051 37.615 38.460 0.342 0.000 0.983 128 Y HN 0.309 nan 8.280 nan 0.000 0.555 129 S N -0.048 115.730 115.700 0.131 0.000 2.407 129 S HA -0.343 4.128 4.470 0.001 0.000 0.235 129 S C 2.363 176.979 174.600 0.027 0.000 1.036 129 S CA 1.112 59.378 58.200 0.111 0.000 1.013 129 S CB -0.705 62.561 63.200 0.110 0.000 0.820 129 S HN 0.422 nan 8.310 nan 0.000 0.476 130 A N 1.029 123.733 122.820 -0.195 0.000 1.958 130 A HA -0.013 4.308 4.320 0.001 0.000 0.221 130 A C 1.840 179.207 177.584 -0.363 0.000 1.178 130 A CA 1.610 53.440 52.037 -0.347 0.000 0.642 130 A CB -1.258 17.308 19.000 -0.724 0.000 0.816 130 A HN 0.679 nan 8.150 nan 0.000 0.453 131 F N -0.798 119.097 119.950 -0.093 0.000 2.771 131 F HA 0.097 4.625 4.527 0.001 0.000 0.299 131 F C 1.728 177.515 175.800 -0.022 0.000 1.177 131 F CA 0.396 58.377 58.000 -0.033 0.000 1.450 131 F CB -0.160 38.871 39.000 0.052 0.000 1.114 131 F HN 0.259 nan 8.300 nan 0.000 0.587 132 I N 0.167 120.790 120.570 0.089 0.000 2.761 132 I HA -0.126 4.045 4.170 0.001 0.000 0.261 132 I C 1.582 177.693 176.117 -0.009 0.000 1.198 132 I CA 0.986 62.329 61.300 0.072 0.000 1.482 132 I CB 0.205 38.259 38.000 0.090 0.000 1.100 132 I HN 0.067 nan 8.210 nan 0.000 0.445 133 V N -2.601 117.236 119.914 -0.127 0.000 3.451 133 V HA 0.556 4.676 4.120 0.001 0.000 0.288 133 V C 0.692 176.716 176.094 -0.118 0.000 1.502 133 V CA -0.002 62.205 62.300 -0.156 0.000 1.026 133 V CB -0.477 31.189 31.823 -0.261 0.000 0.840 133 V HN 0.141 nan 8.190 nan 0.000 0.437 134 A N 1.778 124.533 122.820 -0.109 0.000 2.311 134 A HA 0.723 5.044 4.320 0.001 0.000 0.334 134 A C 0.404 178.057 177.584 0.115 0.000 1.139 134 A CA 0.282 52.305 52.037 -0.024 0.000 0.830 134 A CB 1.159 20.070 19.000 -0.150 0.000 1.234 134 A HN 0.445 nan 8.150 nan 0.000 0.483 135 D N -0.457 120.025 120.400 0.135 0.000 2.500 135 D HA 0.158 4.799 4.640 0.001 0.000 0.217 135 D C -0.101 176.282 176.300 0.138 0.000 1.159 135 D CA 0.107 54.194 54.000 0.145 0.000 0.828 135 D CB 0.209 41.035 40.800 0.043 0.000 1.039 135 D HN 0.357 nan 8.370 nan 0.000 0.512 136 K N 0.715 121.205 120.400 0.151 0.000 2.656 136 K HA 0.367 4.687 4.320 0.001 0.000 0.253 136 K C -1.983 174.698 176.600 0.135 0.000 1.002 136 K CA -0.524 55.857 56.287 0.156 0.000 0.880 136 K CB 2.260 34.770 32.500 0.016 0.000 1.232 136 K HN -0.182 nan 8.250 nan 0.000 0.456 137 V N 3.310 123.310 119.914 0.143 0.000 2.394 137 V HA 0.441 4.561 4.120 0.001 0.000 0.282 137 V C -0.455 175.726 176.094 0.145 0.000 1.031 137 V CA -0.383 61.926 62.300 0.014 0.000 0.881 137 V CB 1.742 33.390 31.823 -0.292 0.000 0.982 137 V HN 0.788 nan 8.190 nan 0.000 0.451 138 T N 4.689 119.292 114.554 0.082 0.000 2.864 138 T HA 0.425 4.776 4.350 0.001 0.000 0.310 138 T C -0.383 174.277 174.700 -0.067 0.000 1.040 138 T CA -0.310 61.773 62.100 -0.029 0.000 0.977 138 T CB 1.178 70.024 68.868 -0.035 0.000 0.976 138 T HN 0.308 nan 8.240 nan 0.000 0.459 139 V N 5.338 125.223 119.914 -0.047 0.000 2.383 139 V HA 0.482 4.603 4.120 0.001 0.000 0.275 139 V C 0.274 176.257 176.094 -0.184 0.000 1.036 139 V CA -0.847 61.431 62.300 -0.037 0.000 0.889 139 V CB 0.885 32.745 31.823 0.062 0.000 0.985 139 V HN 0.702 nan 8.190 nan 0.000 0.459 140 R N 2.915 123.349 120.500 -0.111 0.000 2.445 140 R HA 0.810 5.150 4.340 0.001 0.000 0.308 140 R C -0.533 175.757 176.300 -0.016 0.000 0.961 140 R CA -0.503 55.570 56.100 -0.045 0.000 0.862 140 R CB 2.108 32.411 30.300 0.005 0.000 1.144 140 R HN 0.664 nan 8.270 nan 0.000 0.447 141 T N 1.325 115.881 114.554 0.004 0.000 2.885 141 T HA 0.388 4.739 4.350 0.001 0.000 0.322 141 T C -1.770 172.932 174.700 0.003 0.000 1.387 141 T CA -0.808 61.285 62.100 -0.012 0.000 1.041 141 T CB 1.616 70.455 68.868 -0.048 0.000 1.287 141 T HN 0.565 nan 8.240 nan 0.000 0.491 142 R N 2.110 122.607 120.500 -0.006 0.000 2.626 142 R HA 0.760 5.101 4.340 0.001 0.000 0.274 142 R C -1.707 174.585 176.300 -0.014 0.000 1.031 142 R CA -0.485 55.614 56.100 -0.002 0.000 0.898 142 R CB 1.724 32.030 30.300 0.011 0.000 1.222 142 R HN 0.784 nan 8.270 nan 0.000 0.455 143 A N 2.599 125.408 122.820 -0.018 0.000 2.305 143 A HA 0.691 5.012 4.320 0.001 0.000 0.322 143 A C -0.043 177.528 177.584 -0.022 0.000 1.187 143 A CA -0.171 51.851 52.037 -0.026 0.000 0.825 143 A CB 1.062 20.042 19.000 -0.033 0.000 1.164 143 A HN 0.919 nan 8.150 nan 0.000 0.498 144 A N 1.096 123.899 122.820 -0.028 0.000 2.587 144 A HA 0.433 4.754 4.320 0.001 0.000 0.235 144 A C 1.689 179.255 177.584 -0.030 0.000 1.044 144 A CA 1.261 53.279 52.037 -0.032 0.000 0.754 144 A CB -0.648 18.319 19.000 -0.056 0.000 0.968 144 A HN 2.803 nan 8.150 nan 0.000 0.509 145 G N 1.003 109.789 108.800 -0.024 0.000 2.579 145 G HA2 -0.211 3.749 3.960 0.001 0.000 0.222 145 G HA3 -0.211 3.749 3.960 0.001 0.000 0.222 145 G C 0.230 175.124 174.900 -0.010 0.000 1.201 145 G CA 0.281 45.369 45.100 -0.020 0.000 0.710 145 G HN 0.914 nan 8.290 nan 0.000 0.516 146 E N 2.218 122.413 120.200 -0.009 0.000 2.414 146 E HA 0.251 4.602 4.350 0.001 0.000 0.263 146 E C 0.415 177.017 176.600 0.002 0.000 1.000 146 E CA 0.082 56.480 56.400 -0.003 0.000 0.914 146 E CB 0.578 30.276 29.700 -0.004 0.000 0.948 146 E HN 0.504 nan 8.360 nan 0.000 0.444 147 K N 3.569 123.972 120.400 0.005 0.000 2.485 147 K HA -0.036 4.285 4.320 0.001 0.000 0.277 147 K C -1.633 174.975 176.600 0.013 0.000 0.990 147 K CA -0.920 55.372 56.287 0.009 0.000 0.994 147 K CB 0.061 32.567 32.500 0.010 0.000 0.906 147 K HN 0.193 nan 8.250 nan 0.000 0.488 148 P HA -0.161 nan 4.420 nan 0.000 0.226 148 P C -0.104 177.212 177.300 0.026 0.000 1.146 148 P CA 1.162 64.274 63.100 0.020 0.000 0.773 148 P CB 0.247 31.959 31.700 0.021 0.000 0.772 149 E N -1.193 119.021 120.200 0.024 0.000 2.435 149 E HA -0.007 4.344 4.350 0.001 0.000 0.195 149 E C 0.841 177.461 176.600 0.032 0.000 1.029 149 E CA 0.351 56.768 56.400 0.028 0.000 0.865 149 E CB -0.636 29.078 29.700 0.024 0.000 0.833 149 E HN 0.277 nan 8.360 nan 0.000 0.510 150 N N 1.371 120.087 118.700 0.027 0.000 2.375 150 N HA 0.051 4.791 4.740 0.001 0.000 0.220 150 N C 0.421 175.952 175.510 0.035 0.000 1.170 150 N CA 0.259 53.326 53.050 0.028 0.000 0.833 150 N CB 0.220 38.718 38.487 0.018 0.000 1.069 150 N HN 0.083 nan 8.380 nan 0.000 0.479 151 G N 0.033 108.860 108.800 0.046 0.000 2.699 151 G HA2 0.328 4.288 3.960 0.001 0.000 0.246 151 G HA3 0.328 4.288 3.960 0.001 0.000 0.246 151 G C -0.190 174.759 174.900 0.082 0.000 1.219 151 G CA -0.078 45.057 45.100 0.058 0.000 0.866 151 G HN 0.043 nan 8.290 nan 0.000 0.572 152 V N 0.151 120.123 119.914 0.096 0.000 2.760 152 V HA 0.478 4.598 4.120 0.001 0.000 0.309 152 V C -0.976 175.242 176.094 0.207 0.000 1.077 152 V CA -0.736 61.650 62.300 0.142 0.000 0.910 152 V CB 1.795 33.675 31.823 0.094 0.000 1.008 152 V HN 0.675 nan 8.190 nan 0.000 0.424 153 F N 3.526 123.555 119.950 0.131 0.000 2.443 153 F HA 0.717 5.245 4.527 0.001 0.000 0.335 153 F C -0.981 174.981 175.800 0.270 0.000 1.104 153 F CA -0.507 57.591 58.000 0.162 0.000 1.013 153 F CB 1.637 40.704 39.000 0.112 0.000 1.136 153 F HN 0.647 nan 8.300 nan 0.000 0.470 154 W N 8.116 129.263 121.300 -0.254 0.000 2.642 154 W HA 0.336 4.997 4.660 0.001 0.000 0.304 154 W C -1.507 174.946 176.519 -0.110 0.000 1.023 154 W CA -0.489 56.846 57.345 -0.016 0.000 1.290 154 W CB 0.889 30.317 29.460 -0.053 0.000 1.190 154 W HN 0.558 nan 8.180 nan 0.000 0.374 155 E N 3.217 123.328 120.200 -0.149 0.000 2.222 155 E HA 0.694 5.045 4.350 0.001 0.000 0.272 155 E C -0.871 175.446 176.600 -0.472 0.000 0.982 155 E CA -0.448 55.868 56.400 -0.141 0.000 0.842 155 E CB 1.876 31.712 29.700 0.228 0.000 1.144 155 E HN 0.169 nan 8.360 nan 0.000 0.397 156 S N 1.554 117.089 115.700 -0.275 0.000 2.547 156 S HA 0.530 5.001 4.470 0.001 0.000 0.270 156 S C -0.612 174.040 174.600 0.086 0.000 1.150 156 S CA 0.067 58.140 58.200 -0.211 0.000 0.850 156 S CB 1.342 64.278 63.200 -0.440 0.000 1.118 156 S HN 0.575 nan 8.310 nan 0.000 0.461 157 A N 1.667 124.465 122.820 -0.036 0.000 2.275 157 A HA 0.558 4.879 4.320 0.001 0.000 0.212 157 A C 1.545 178.959 177.584 -0.282 0.000 1.201 157 A CA 0.741 52.758 52.037 -0.033 0.000 0.843 157 A CB -1.017 17.949 19.000 -0.057 0.000 0.873 157 A HN 2.307 nan 8.150 nan 0.000 0.492 158 G N -0.417 107.912 108.800 -0.785 0.000 2.143 158 G HA2 -0.224 3.736 3.960 0.001 0.000 0.248 158 G HA3 -0.224 3.736 3.960 0.001 0.000 0.248 158 G C 0.139 174.781 174.900 -0.431 0.000 0.991 158 G CA 0.568 44.852 45.100 -1.360 0.000 0.689 158 G HN 0.522 nan 8.290 nan 0.000 0.522 159 E N -0.522 119.546 120.200 -0.219 0.000 4.138 159 E HA 0.500 4.851 4.350 0.001 0.000 0.369 159 E C 1.847 178.440 176.600 -0.011 0.000 0.995 159 E CA 0.047 56.392 56.400 -0.090 0.000 2.264 159 E CB -0.583 29.077 29.700 -0.066 0.000 1.876 159 E HN 0.420 nan 8.360 nan 0.000 0.697 160 G N 0.080 108.888 108.800 0.013 0.000 2.985 160 G HA2 -0.019 3.942 3.960 0.001 0.000 0.209 160 G HA3 -0.019 3.942 3.960 0.001 0.000 0.209 160 G C 0.045 175.007 174.900 0.104 0.000 1.165 160 G CA 0.011 45.153 45.100 0.070 0.000 0.776 160 G HN 0.340 nan 8.290 nan 0.000 0.541 161 E N -0.087 120.150 120.200 0.061 0.000 2.246 161 E HA 0.538 4.889 4.350 0.001 0.000 0.266 161 E C -1.396 175.212 176.600 0.013 0.000 0.880 161 E CA -1.222 55.178 56.400 -0.001 0.000 0.762 161 E CB 1.439 31.098 29.700 -0.069 0.000 1.180 161 E HN 0.275 nan 8.360 nan 0.000 0.416 162 Y N -0.549 119.723 120.300 -0.047 0.000 2.562 162 Y HA 0.706 5.257 4.550 0.001 0.000 0.343 162 Y C -0.788 174.988 175.900 -0.206 0.000 1.025 162 Y CA -1.116 56.825 58.100 -0.264 0.000 1.082 162 Y CB 1.837 40.087 38.460 -0.350 0.000 1.264 162 Y HN 0.293 nan 8.280 nan 0.000 0.478 163 T N 3.020 117.495 114.554 -0.132 0.000 2.797 163 T HA 0.536 4.886 4.350 0.001 0.000 0.279 163 T C -1.192 173.616 174.700 0.180 0.000 0.991 163 T CA -0.714 61.379 62.100 -0.013 0.000 0.979 163 T CB 1.430 70.308 68.868 0.015 0.000 0.943 163 T HN 0.772 nan 8.240 nan 0.000 0.444 164 V N 1.824 121.891 119.914 0.255 0.000 2.656 164 V HA 0.943 5.064 4.120 0.001 0.000 0.307 164 V C -1.271 174.971 176.094 0.246 0.000 1.051 164 V CA -0.591 61.932 62.300 0.372 0.000 0.893 164 V CB 1.314 33.423 31.823 0.477 0.000 0.999 164 V HN 1.220 nan 8.190 nan 0.000 0.426 165 A N 3.976 126.960 122.820 0.274 0.000 2.566 165 A HA 0.676 4.997 4.320 0.001 0.000 0.297 165 A C -1.259 176.427 177.584 0.171 0.000 1.059 165 A CA -0.709 51.420 52.037 0.154 0.000 0.691 165 A CB 1.477 20.490 19.000 0.022 0.000 1.282 165 A HN 0.861 nan 8.150 nan 0.000 0.401 166 D N 1.875 122.338 120.400 0.104 0.000 2.339 166 D HA 0.452 5.093 4.640 0.001 0.000 0.256 166 D C 0.686 177.038 176.300 0.086 0.000 1.214 166 D CA 0.452 54.508 54.000 0.093 0.000 0.877 166 D CB 0.538 41.375 40.800 0.061 0.000 1.111 166 D HN 0.596 nan 8.370 nan 0.000 0.478 167 I N -1.641 118.998 120.570 0.115 0.000 3.617 167 I HA 0.681 4.852 4.170 0.001 0.000 0.283 167 I C -0.541 175.626 176.117 0.083 0.000 1.160 167 I CA -0.773 60.591 61.300 0.107 0.000 1.084 167 I CB 2.134 40.241 38.000 0.178 0.000 1.365 167 I HN 0.057 nan 8.210 nan 0.000 0.494 168 T N 1.109 115.709 114.554 0.077 0.000 2.912 168 T HA 0.593 4.944 4.350 0.001 0.000 0.299 168 T C -1.060 173.676 174.700 0.060 0.000 1.052 168 T CA -0.553 61.583 62.100 0.059 0.000 0.996 168 T CB 1.816 70.710 68.868 0.045 0.000 1.070 168 T HN 0.580 nan 8.240 nan 0.000 0.465 169 K N 1.915 122.344 120.400 0.048 0.000 2.619 169 K HA 0.263 4.584 4.320 0.001 0.000 0.251 169 K C -0.433 176.186 176.600 0.032 0.000 0.987 169 K CA -0.376 55.936 56.287 0.043 0.000 0.844 169 K CB 1.169 33.696 32.500 0.045 0.000 1.237 169 K HN 0.407 nan 8.250 nan 0.000 0.447 170 E N 3.712 123.930 120.200 0.030 0.000 2.424 170 E HA 0.060 4.411 4.350 0.001 0.000 0.237 170 E C -0.856 175.757 176.600 0.022 0.000 1.381 170 E CA 0.266 56.681 56.400 0.025 0.000 1.587 170 E CB -0.255 29.460 29.700 0.025 0.000 1.398 170 E HN 0.539 nan 8.360 nan 0.000 0.439 171 D N -0.062 120.349 120.400 0.019 0.000 2.300 171 D HA 0.008 4.649 4.640 0.001 0.000 0.218 171 D C -0.031 176.274 176.300 0.007 0.000 1.326 171 D CA -0.587 53.421 54.000 0.013 0.000 0.942 171 D CB 0.420 41.227 40.800 0.012 0.000 1.495 171 D HN 0.048 nan 8.370 nan 0.000 0.545 172 R N 1.154 121.658 120.500 0.007 0.000 2.756 172 R HA 0.419 4.760 4.340 0.001 0.000 0.264 172 R C 0.499 176.794 176.300 -0.009 0.000 1.026 172 R CA 1.212 57.313 56.100 0.001 0.000 1.121 172 R CB 0.318 30.620 30.300 0.005 0.000 0.999 172 R HN 0.733 nan 8.270 nan 0.000 0.449 173 G N 0.687 109.478 108.800 -0.015 0.000 2.298 173 G HA2 -0.020 3.941 3.960 0.001 0.000 0.309 173 G HA3 -0.020 3.941 3.960 0.001 0.000 0.309 173 G C -1.332 173.548 174.900 -0.033 0.000 1.279 173 G CA -0.350 44.734 45.100 -0.027 0.000 1.042 173 G HN 0.692 nan 8.290 nan 0.000 0.480 174 T N 0.897 115.426 114.554 -0.042 0.000 2.840 174 T HA 0.578 4.929 4.350 0.001 0.000 0.287 174 T C -0.694 173.982 174.700 -0.041 0.000 0.991 174 T CA -0.371 61.701 62.100 -0.047 0.000 0.964 174 T CB 1.813 70.644 68.868 -0.060 0.000 0.954 174 T HN 0.611 nan 8.240 nan 0.000 0.438 175 E N 4.221 124.402 120.200 -0.032 0.000 2.101 175 E HA 0.281 4.631 4.350 0.001 0.000 0.260 175 E C -0.631 175.959 176.600 -0.017 0.000 0.897 175 E CA -0.643 55.742 56.400 -0.025 0.000 0.744 175 E CB 0.424 30.117 29.700 -0.013 0.000 1.140 175 E HN 0.402 nan 8.360 nan 0.000 0.419 176 I N 4.650 125.215 120.570 -0.009 0.000 2.291 176 I HA 0.142 4.312 4.170 0.001 0.000 0.290 176 I C -0.049 176.069 176.117 0.002 0.000 1.050 176 I CA -0.310 61.000 61.300 0.016 0.000 1.245 176 I CB 0.775 38.798 38.000 0.038 0.000 1.405 176 I HN 0.363 nan 8.210 nan 0.000 0.478 177 T N 6.961 121.520 114.554 0.009 0.000 2.770 177 T HA 0.532 4.883 4.350 0.001 0.000 0.297 177 T C -0.028 174.685 174.700 0.021 0.000 0.997 177 T CA -0.587 61.522 62.100 0.016 0.000 0.949 177 T CB 1.104 69.990 68.868 0.029 0.000 0.941 177 T HN 0.136 nan 8.240 nan 0.000 0.457 178 L N 3.768 125.001 121.223 0.017 0.000 2.276 178 L HA 0.294 4.635 4.340 0.001 0.000 0.286 178 L C 0.565 177.474 176.870 0.064 0.000 1.061 178 L CA -0.471 54.376 54.840 0.011 0.000 0.807 178 L CB 0.509 42.563 42.059 -0.008 0.000 1.177 178 L HN 0.648 nan 8.230 nan 0.000 0.429 179 H N 5.231 124.301 119.070 0.001 0.000 2.761 179 H HA 0.317 4.873 4.556 0.001 0.000 0.284 179 H C -0.497 174.842 175.328 0.018 0.000 1.105 179 H CA -0.435 55.630 56.048 0.028 0.000 1.352 179 H CB 0.525 30.312 29.762 0.043 0.000 1.423 179 H HN 0.470 nan 8.280 nan 0.000 0.464 180 L N 4.756 126.036 121.223 0.095 0.000 2.452 180 L HA 0.198 4.539 4.340 0.001 0.000 0.267 180 L C 1.158 178.121 176.870 0.155 0.000 1.188 180 L CA -0.316 54.581 54.840 0.096 0.000 0.821 180 L CB 0.527 42.617 42.059 0.053 0.000 1.102 180 L HN 0.484 nan 8.230 nan 0.000 0.470 181 R N 1.289 121.834 120.500 0.075 0.000 2.490 181 R HA 0.236 4.576 4.340 0.001 0.000 0.278 181 R C -0.024 176.296 176.300 0.035 0.000 1.069 181 R CA -0.309 55.826 56.100 0.059 0.000 1.080 181 R CB 0.514 30.823 30.300 0.015 0.000 1.030 181 R HN 0.717 nan 8.270 nan 0.000 0.491 182 E N 0.620 120.843 120.200 0.038 0.000 2.708 182 E HA 0.137 4.488 4.350 0.001 0.000 0.260 182 E C 1.205 177.799 176.600 -0.010 0.000 0.937 182 E CA 0.789 57.199 56.400 0.017 0.000 0.953 182 E CB -0.364 29.346 29.700 0.016 0.000 0.915 182 E HN 0.764 nan 8.360 nan 0.000 0.487 183 G N 1.646 110.434 108.800 -0.020 0.000 2.490 183 G HA2 -0.244 3.717 3.960 0.001 0.000 0.214 183 G HA3 -0.244 3.717 3.960 0.001 0.000 0.214 183 G C 0.833 175.687 174.900 -0.078 0.000 1.151 183 G CA 0.352 45.426 45.100 -0.042 0.000 0.684 183 G HN 0.653 nan 8.290 nan 0.000 0.518 184 E N 1.526 121.668 120.200 -0.097 0.000 2.320 184 E HA 0.175 4.525 4.350 0.001 0.000 0.189 184 E C 0.867 177.371 176.600 -0.160 0.000 1.100 184 E CA 0.220 56.504 56.400 -0.193 0.000 1.009 184 E CB 0.017 29.588 29.700 -0.216 0.000 1.145 184 E HN 0.530 nan 8.360 nan 0.000 0.454 185 D N 1.350 121.700 120.400 -0.082 0.000 2.393 185 D HA -0.187 4.454 4.640 0.001 0.000 0.220 185 D C 1.648 177.931 176.300 -0.029 0.000 0.974 185 D CA 0.696 54.678 54.000 -0.029 0.000 0.931 185 D CB 0.065 40.855 40.800 -0.017 0.000 0.889 185 D HN 0.376 nan 8.370 nan 0.000 0.512 186 E N -0.610 119.512 120.200 -0.130 0.000 2.265 186 E HA -0.152 4.199 4.350 0.001 0.000 0.196 186 E C 0.663 177.323 176.600 0.100 0.000 0.996 186 E CA 0.574 56.905 56.400 -0.115 0.000 0.832 186 E CB -0.063 29.459 29.700 -0.296 0.000 0.756 186 E HN 0.417 nan 8.360 nan 0.000 0.491 187 F N 0.169 120.160 119.950 0.067 0.000 2.730 187 F HA 0.187 4.715 4.527 0.001 0.000 0.295 187 F C 1.116 177.042 175.800 0.210 0.000 1.143 187 F CA -0.518 57.571 58.000 0.148 0.000 1.367 187 F CB 0.558 39.663 39.000 0.176 0.000 0.970 187 F HN 0.005 nan 8.300 nan 0.000 0.514 188 L N -1.021 120.362 121.223 0.268 0.000 2.638 188 L HA 0.106 4.447 4.340 0.001 0.000 0.232 188 L C 0.323 177.087 176.870 -0.177 0.000 1.099 188 L CA 0.026 54.943 54.840 0.127 0.000 0.883 188 L CB 0.019 42.124 42.059 0.078 0.000 1.136 188 L HN -0.069 nan 8.230 nan 0.000 0.492 189 D N 1.544 121.925 120.400 -0.032 0.000 2.367 189 D HA -0.078 4.563 4.640 0.001 0.000 0.255 189 D C 1.197 177.430 176.300 -0.111 0.000 1.300 189 D CA 0.010 53.977 54.000 -0.055 0.000 0.959 189 D CB 0.542 41.385 40.800 0.072 0.000 1.064 189 D HN 0.216 nan 8.370 nan 0.000 0.509 190 D N 2.834 122.999 120.400 -0.392 0.000 2.228 190 D HA -0.236 4.405 4.640 0.001 0.000 0.203 190 D C 1.636 178.012 176.300 0.127 0.000 0.988 190 D CA 0.509 54.361 54.000 -0.246 0.000 0.864 190 D CB -0.488 40.128 40.800 -0.306 0.000 0.928 190 D HN 0.556 nan 8.370 nan 0.000 0.469 191 W N 2.495 123.767 121.300 -0.046 0.000 2.381 191 W HA -0.054 4.607 4.660 0.001 0.000 0.321 191 W C 2.722 179.261 176.519 0.033 0.000 1.196 191 W CA 1.416 58.760 57.345 -0.001 0.000 1.304 191 W CB -0.737 28.714 29.460 -0.015 0.000 1.166 191 W HN -0.139 nan 8.180 nan 0.000 0.473 192 R N 0.297 120.576 120.500 -0.369 0.000 2.096 192 R HA -0.211 4.130 4.340 0.001 0.000 0.240 192 R C 2.145 178.293 176.300 -0.254 0.000 1.139 192 R CA 2.823 58.578 56.100 -0.575 0.000 0.952 192 R CB -0.901 29.240 30.300 -0.264 0.000 0.854 192 R HN 0.176 nan 8.270 nan 0.000 0.436 193 V N 1.185 121.075 119.914 -0.039 0.000 2.252 193 V HA -0.344 3.777 4.120 0.001 0.000 0.249 193 V C 2.572 178.642 176.094 -0.040 0.000 1.056 193 V CA 2.390 64.689 62.300 -0.002 0.000 1.022 193 V CB -0.783 31.161 31.823 0.203 0.000 0.641 193 V HN 0.477 nan 8.190 nan 0.000 0.445 194 R N 0.094 120.612 120.500 0.031 0.000 2.115 194 R HA -0.264 4.077 4.340 0.001 0.000 0.239 194 R C 2.598 178.867 176.300 -0.051 0.000 1.133 194 R CA 2.494 58.618 56.100 0.040 0.000 0.935 194 R CB -0.773 29.616 30.300 0.149 0.000 0.853 194 R HN 0.478 nan 8.270 nan 0.000 0.433 195 S N 0.007 115.633 115.700 -0.123 0.000 2.382 195 S HA -0.101 4.370 4.470 0.001 0.000 0.228 195 S C 2.056 176.528 174.600 -0.212 0.000 1.027 195 S CA 1.329 59.443 58.200 -0.142 0.000 0.991 195 S CB -0.265 62.777 63.200 -0.263 0.000 0.823 195 S HN 0.402 nan 8.310 nan 0.000 0.469 196 I N 1.475 121.890 120.570 -0.258 0.000 2.076 196 I HA -0.220 3.950 4.170 0.001 0.000 0.237 196 I C 2.163 177.939 176.117 -0.569 0.000 1.059 196 I CA 1.683 62.778 61.300 -0.341 0.000 1.317 196 I CB -0.543 37.312 38.000 -0.241 0.000 1.037 196 I HN 0.334 nan 8.210 nan 0.000 0.398 197 I N 0.852 121.200 120.570 -0.369 0.000 2.530 197 I HA -0.269 3.902 4.170 0.001 0.000 0.257 197 I C 2.769 178.718 176.117 -0.280 0.000 1.179 197 I CA 1.506 62.626 61.300 -0.300 0.000 1.440 197 I CB -0.535 37.422 38.000 -0.072 0.000 1.087 197 I HN 0.384 nan 8.210 nan 0.000 0.440 198 S N 1.678 117.241 115.700 -0.228 0.000 2.402 198 S HA -0.210 4.261 4.470 0.001 0.000 0.229 198 S C 2.404 176.921 174.600 -0.138 0.000 1.021 198 S CA 1.507 59.634 58.200 -0.121 0.000 0.974 198 S CB -0.370 62.789 63.200 -0.068 0.000 0.800 198 S HN 0.447 nan 8.310 nan 0.000 0.484 199 K N 0.744 120.979 120.400 -0.276 0.000 2.147 199 K HA 0.006 4.327 4.320 0.001 0.000 0.205 199 K C 1.793 178.369 176.600 -0.039 0.000 1.049 199 K CA 1.582 57.753 56.287 -0.194 0.000 0.936 199 K CB -1.578 30.758 32.500 -0.273 0.000 0.722 199 K HN 0.875 nan 8.250 nan 0.000 0.446 200 Y N 0.275 120.576 120.300 0.002 0.000 2.314 200 Y HA 0.057 4.607 4.550 0.001 0.000 0.294 200 Y C 3.337 179.260 175.900 0.039 0.000 1.119 200 Y CA 0.464 58.575 58.100 0.018 0.000 1.179 200 Y CB -0.042 38.412 38.460 -0.011 0.000 1.025 200 Y HN 0.347 nan 8.280 nan 0.000 0.541 201 S N 0.688 116.477 115.700 0.148 0.000 2.537 201 S HA -0.125 4.346 4.470 0.001 0.000 0.240 201 S C 1.379 176.034 174.600 0.092 0.000 0.981 201 S CA 1.435 59.695 58.200 0.100 0.000 0.948 201 S CB -1.263 61.968 63.200 0.052 0.000 0.759 201 S HN 0.577 nan 8.310 nan 0.000 0.531 202 D N -1.124 119.343 120.400 0.112 0.000 2.339 202 D HA 0.143 4.784 4.640 0.001 0.000 0.217 202 D C 1.268 177.673 176.300 0.176 0.000 1.050 202 D CA 0.460 54.528 54.000 0.113 0.000 0.856 202 D CB -0.549 40.305 40.800 0.089 0.000 0.922 202 D HN 0.808 nan 8.370 nan 0.000 0.518 203 H N -1.532 117.577 119.070 0.065 0.000 3.058 203 H HA 0.280 4.836 4.556 0.001 0.000 0.258 203 H C 0.232 175.586 175.328 0.043 0.000 1.015 203 H CA -0.376 55.703 56.048 0.051 0.000 1.210 203 H CB 0.808 30.597 29.762 0.045 0.000 1.481 203 H HN 0.261 nan 8.280 nan 0.000 0.492 204 I N 1.178 121.759 120.570 0.019 0.000 3.060 204 I HA 0.030 4.201 4.170 0.001 0.000 0.285 204 I C 1.217 177.297 176.117 -0.062 0.000 1.190 204 I CA 0.580 61.852 61.300 -0.047 0.000 1.363 204 I CB 1.128 39.140 38.000 0.020 0.000 1.396 204 I HN 0.201 nan 8.210 nan 0.000 0.607 205 A N 5.307 128.089 122.820 -0.064 0.000 2.390 205 A HA 0.452 4.772 4.320 0.001 0.000 0.232 205 A C -0.110 177.470 177.584 -0.007 0.000 1.233 205 A CA 0.049 52.061 52.037 -0.042 0.000 0.907 205 A CB -0.139 18.828 19.000 -0.056 0.000 0.967 205 A HN 0.483 nan 8.150 nan 0.000 0.512 206 L N -0.681 120.539 121.223 -0.006 0.000 2.415 206 L HA 0.621 4.962 4.340 0.001 0.000 0.256 206 L C -2.916 173.955 176.870 0.001 0.000 1.010 206 L CA -1.958 52.881 54.840 -0.002 0.000 0.826 206 L CB 1.874 43.923 42.059 -0.016 0.000 1.405 206 L HN -0.176 nan 8.230 nan 0.000 0.410 207 P HA 0.180 nan 4.420 nan 0.000 0.265 207 P C -1.218 176.071 177.300 -0.018 0.000 1.222 207 P CA -0.011 63.085 63.100 -0.006 0.000 0.767 207 P CB 0.480 32.173 31.700 -0.012 0.000 0.801 208 V N 4.723 124.634 119.914 -0.005 0.000 2.333 208 V HA 0.196 4.317 4.120 0.001 0.000 0.274 208 V C 0.527 176.630 176.094 0.015 0.000 1.028 208 V CA -0.318 61.976 62.300 -0.009 0.000 0.851 208 V CB 0.702 32.527 31.823 0.002 0.000 1.000 208 V HN 0.474 nan 8.190 nan 0.000 0.456 209 E N 4.949 125.152 120.200 0.005 0.000 2.179 209 E HA 0.620 4.971 4.350 0.001 0.000 0.275 209 E C -0.953 175.758 176.600 0.184 0.000 0.945 209 E CA -0.580 55.870 56.400 0.085 0.000 0.792 209 E CB 2.632 32.352 29.700 0.033 0.000 1.125 209 E HN 0.535 nan 8.360 nan 0.000 0.397 210 I N 1.695 122.428 120.570 0.273 0.000 2.493 210 I HA 0.124 4.295 4.170 0.001 0.000 0.298 210 I C 0.198 176.554 176.117 0.398 0.000 0.998 210 I CA -0.710 60.784 61.300 0.323 0.000 1.137 210 I CB 1.822 39.972 38.000 0.251 0.000 1.310 210 I HN 0.537 nan 8.210 nan 0.000 0.445 211 E N 5.558 125.986 120.200 0.380 0.000 2.104 211 E HA 0.288 4.639 4.350 0.001 0.000 0.278 211 E C -0.633 175.982 176.600 0.026 0.000 1.127 211 E CA -0.368 56.039 56.400 0.012 0.000 0.897 211 E CB 0.574 30.261 29.700 -0.022 0.000 1.043 211 E HN 0.598 nan 8.360 nan 0.000 0.410 212 K N 5.686 126.036 120.400 -0.083 0.000 2.521 212 K HA 0.251 4.572 4.320 0.001 0.000 0.248 212 K C -0.605 175.938 176.600 -0.094 0.000 0.978 212 K CA -0.962 55.303 56.287 -0.038 0.000 0.947 212 K CB 0.754 33.258 32.500 0.008 0.000 1.165 212 K HN 0.609 nan 8.250 nan 0.000 0.445 213 R N 1.234 121.684 120.500 -0.084 0.000 2.664 213 R HA 0.656 4.997 4.340 0.001 0.000 0.286 213 R C -1.031 175.231 176.300 -0.064 0.000 0.967 213 R CA -0.536 55.509 56.100 -0.091 0.000 0.933 213 R CB 1.390 31.635 30.300 -0.092 0.000 1.146 213 R HN 0.658 nan 8.270 nan 0.000 0.468 214 E N 0.334 120.499 120.200 -0.059 0.000 2.304 214 E HA 0.213 4.563 4.350 0.001 0.000 0.277 214 E C -1.082 175.493 176.600 -0.041 0.000 0.898 214 E CA -0.632 55.740 56.400 -0.047 0.000 0.764 214 E CB 1.327 31.001 29.700 -0.042 0.000 1.216 214 E HN 0.721 nan 8.360 nan 0.000 0.419 215 E N 1.651 121.830 120.200 -0.036 0.000 1.833 215 E HA 0.412 4.763 4.350 0.001 0.000 0.258 215 E C -0.062 176.522 176.600 -0.027 0.000 1.257 215 E CA 0.338 56.720 56.400 -0.030 0.000 1.003 215 E CB -0.558 29.127 29.700 -0.026 0.000 1.068 215 E HN 0.735 nan 8.360 nan 0.000 0.422 216 K N 0.704 121.087 120.400 -0.027 0.000 2.340 216 K HA 0.632 4.953 4.320 0.001 0.000 0.244 216 K C 0.268 176.856 176.600 -0.020 0.000 0.973 216 K CA -0.257 56.015 56.287 -0.024 0.000 0.828 216 K CB 0.428 32.913 32.500 -0.025 0.000 1.226 216 K HN 0.577 nan 8.250 nan 0.000 0.437 217 D N 0.265 120.655 120.400 -0.017 0.000 2.699 217 D HA -0.151 4.489 4.640 0.001 0.000 0.239 217 D C 1.079 177.371 176.300 -0.013 0.000 1.136 217 D CA 2.411 56.403 54.000 -0.014 0.000 0.668 217 D CB -1.505 39.287 40.800 -0.013 0.000 1.060 217 D HN 1.694 nan 8.370 nan 0.000 0.429 218 G N -1.661 107.131 108.800 -0.014 0.000 2.451 218 G HA2 -0.231 3.730 3.960 0.001 0.000 0.253 218 G HA3 -0.231 3.730 3.960 0.001 0.000 0.253 218 G C 0.356 175.248 174.900 -0.014 0.000 1.033 218 G CA 1.433 46.525 45.100 -0.013 0.000 0.633 218 G HN 1.105 nan 8.290 nan 0.000 0.537 219 E N 0.203 120.394 120.200 -0.015 0.000 2.207 219 E HA 0.732 5.083 4.350 0.001 0.000 0.270 219 E C 0.219 176.806 176.600 -0.022 0.000 0.927 219 E CA 0.132 56.522 56.400 -0.016 0.000 0.799 219 E CB 0.839 30.531 29.700 -0.014 0.000 1.172 219 E HN 1.334 nan 8.360 nan 0.000 0.404 220 T N -0.949 113.591 114.554 -0.024 0.000 2.747 220 T HA 0.463 4.814 4.350 0.001 0.000 0.301 220 T C 0.455 175.130 174.700 -0.041 0.000 0.952 220 T CA -0.008 62.073 62.100 -0.032 0.000 0.983 220 T CB -0.534 68.317 68.868 -0.030 0.000 0.930 220 T HN 1.238 nan 8.240 nan 0.000 0.494 221 V N 2.225 122.110 119.914 -0.048 0.000 2.644 221 V HA 0.676 4.797 4.120 0.001 0.000 0.295 221 V C -0.225 175.811 176.094 -0.097 0.000 1.053 221 V CA -1.122 61.141 62.300 -0.062 0.000 0.987 221 V CB 0.762 32.553 31.823 -0.052 0.000 1.006 221 V HN 0.869 nan 8.190 nan 0.000 0.472 222 I N 4.652 125.139 120.570 -0.137 0.000 2.359 222 I HA 0.605 4.776 4.170 0.001 0.000 0.284 222 I C 0.674 176.611 176.117 -0.301 0.000 1.018 222 I CA 0.015 61.169 61.300 -0.243 0.000 1.173 222 I CB 1.031 38.841 38.000 -0.316 0.000 1.326 222 I HN 0.965 nan 8.210 nan 0.000 0.462 223 S N 5.661 121.210 115.700 -0.251 0.000 2.489 223 S HA 0.549 5.020 4.470 0.001 0.000 0.291 223 S C -0.893 173.555 174.600 -0.253 0.000 1.151 223 S CA -0.546 57.538 58.200 -0.195 0.000 1.082 223 S CB 0.437 63.599 63.200 -0.062 0.000 1.019 223 S HN 0.489 nan 8.310 nan 0.000 0.492 224 W N 1.409 122.725 121.300 0.028 0.000 2.345 224 W HA 0.511 5.172 4.660 0.001 0.000 0.308 224 W C 0.661 177.195 176.519 0.025 0.000 1.273 224 W CA -0.004 57.358 57.345 0.030 0.000 1.243 224 W CB 0.434 29.906 29.460 0.020 0.000 1.260 224 W HN 0.824 nan 8.180 nan 0.000 0.509 225 E N 4.020 124.370 120.200 0.249 0.000 2.179 225 E HA 0.374 4.725 4.350 0.001 0.000 0.275 225 E C -0.380 176.307 176.600 0.146 0.000 0.945 225 E CA -1.128 55.364 56.400 0.154 0.000 0.792 225 E CB 0.914 30.675 29.700 0.103 0.000 1.125 225 E HN 0.476 nan 8.360 nan 0.000 0.397 226 K N 1.787 122.245 120.400 0.098 0.000 2.154 226 K HA 0.411 4.732 4.320 0.001 0.000 0.264 226 K C 0.360 176.993 176.600 0.056 0.000 1.008 226 K CA -0.712 55.616 56.287 0.069 0.000 0.937 226 K CB 1.593 34.118 32.500 0.042 0.000 1.002 226 K HN 0.400 nan 8.250 nan 0.000 0.469 227 I N 1.195 121.793 120.570 0.047 0.000 2.333 227 I HA -0.185 3.986 4.170 0.001 0.000 0.246 227 I C 0.833 176.966 176.117 0.027 0.000 1.106 227 I CA 1.071 62.395 61.300 0.041 0.000 1.411 227 I CB -0.462 37.557 38.000 0.033 0.000 1.082 227 I HN 0.793 nan 8.210 nan 0.000 0.420 228 N N -1.008 117.703 118.700 0.020 0.000 2.443 228 N HA 0.277 5.017 4.740 0.001 0.000 0.293 228 N C 0.238 175.746 175.510 -0.003 0.000 1.159 228 N CA -0.350 52.706 53.050 0.009 0.000 0.904 228 N CB 1.463 39.958 38.487 0.013 0.000 1.214 228 N HN -0.219 nan 8.380 nan 0.000 0.513 229 K N 1.078 121.466 120.400 -0.020 0.000 2.387 229 K HA 0.516 4.837 4.320 0.001 0.000 0.197 229 K C -0.771 175.786 176.600 -0.073 0.000 1.127 229 K CA 0.474 56.737 56.287 -0.040 0.000 0.950 229 K CB 0.427 32.902 32.500 -0.043 0.000 1.017 229 K HN 0.796 nan 8.250 nan 0.000 0.519 230 A N 0.548 123.324 122.820 -0.074 0.000 2.302 230 A HA 0.030 4.351 4.320 0.001 0.000 0.634 230 A C -0.067 177.404 177.584 -0.188 0.000 0.278 230 A CA 0.522 52.489 52.037 -0.116 0.000 0.218 230 A CB -2.009 16.916 19.000 -0.126 0.000 3.675 230 A HN 0.316 nan 8.150 nan 0.000 0.507 231 Q N 0.781 120.473 119.800 -0.180 0.000 2.452 231 Q HA 0.691 5.032 4.340 0.001 0.000 0.230 231 Q C 0.314 176.084 176.000 -0.383 0.000 1.180 231 Q CA 0.749 56.421 55.803 -0.218 0.000 0.914 231 Q CB 0.351 29.009 28.738 -0.133 0.000 1.408 231 Q HN 2.570 nan 8.270 nan 0.000 0.520 232 A N 2.654 125.156 122.820 -0.529 0.000 2.745 232 A HA 0.517 4.838 4.320 0.001 0.000 0.301 232 A C 0.484 177.548 177.584 -0.866 0.000 1.188 232 A CA -0.396 51.039 52.037 -1.004 0.000 0.746 232 A CB 0.607 18.976 19.000 -1.050 0.000 1.207 232 A HN 0.988 nan 8.150 nan 0.000 0.432 233 L N 1.325 122.081 121.223 -0.778 0.000 2.456 233 L HA -0.021 4.320 4.340 0.001 0.000 0.224 233 L C 1.440 178.119 176.870 -0.318 0.000 1.148 233 L CA 1.424 55.932 54.840 -0.553 0.000 0.825 233 L CB -0.075 41.537 42.059 -0.745 0.000 0.937 233 L HN 0.956 nan 8.230 nan 0.000 0.450 234 W N -3.219 117.989 121.300 -0.153 0.000 3.194 234 W HA 0.358 5.019 4.660 0.001 0.000 0.408 234 W C 0.967 177.634 176.519 0.247 0.000 1.072 234 W CA -0.255 57.220 57.345 0.216 0.000 1.953 234 W CB -0.720 28.856 29.460 0.194 0.000 1.091 234 W HN -0.266 nan 8.180 nan 0.000 0.699 235 T N 0.060 114.536 114.554 -0.129 0.000 3.114 235 T HA 0.137 4.488 4.350 0.001 0.000 0.240 235 T C 0.666 175.346 174.700 -0.033 0.000 0.983 235 T CA -0.165 61.876 62.100 -0.098 0.000 1.151 235 T CB -0.035 68.669 68.868 -0.273 0.000 0.974 235 T HN -0.167 nan 8.240 nan 0.000 0.442 236 R N 3.179 123.608 120.500 -0.118 0.000 2.488 236 R HA 0.084 4.425 4.340 0.001 0.000 0.317 236 R C -0.062 176.204 176.300 -0.057 0.000 0.941 236 R CA -0.117 55.922 56.100 -0.102 0.000 1.076 236 R CB 0.029 30.231 30.300 -0.163 0.000 0.917 236 R HN 0.315 nan 8.270 nan 0.000 0.407 237 N N 2.117 120.819 118.700 0.004 0.000 2.260 237 N HA -0.072 4.669 4.740 0.001 0.000 0.230 237 N C 0.854 176.382 175.510 0.030 0.000 1.323 237 N CA -0.075 53.017 53.050 0.070 0.000 0.897 237 N CB 0.379 38.905 38.487 0.065 0.000 1.146 237 N HN 0.407 nan 8.380 nan 0.000 0.460 238 K N -0.347 120.116 120.400 0.106 0.000 2.442 238 K HA 0.004 4.325 4.320 0.001 0.000 0.199 238 K C -0.023 176.627 176.600 0.084 0.000 1.044 238 K CA 0.791 57.159 56.287 0.136 0.000 0.941 238 K CB 0.043 32.665 32.500 0.203 0.000 0.759 238 K HN 0.317 nan 8.250 nan 0.000 0.472 239 S N 0.948 116.673 115.700 0.042 0.000 2.738 239 S HA 0.162 4.633 4.470 0.001 0.000 0.227 239 S C -0.333 174.257 174.600 -0.016 0.000 1.311 239 S CA -0.334 57.879 58.200 0.021 0.000 1.249 239 S CB 0.394 63.608 63.200 0.023 0.000 1.030 239 S HN 0.224 nan 8.310 nan 0.000 0.512 240 E N 0.823 120.992 120.200 -0.052 0.000 2.694 240 E HA 0.225 4.576 4.350 0.001 0.000 0.142 240 E C -0.721 175.786 176.600 -0.154 0.000 0.861 240 E CA 0.160 56.507 56.400 -0.088 0.000 1.387 240 E CB 0.522 30.170 29.700 -0.087 0.000 0.989 240 E HN 0.427 nan 8.360 nan 0.000 0.462 241 I N 0.531 120.987 120.570 -0.189 0.000 2.828 241 I HA 0.345 4.515 4.170 0.001 0.000 0.302 241 I C -0.023 175.940 176.117 -0.257 0.000 1.101 241 I CA -0.747 60.346 61.300 -0.346 0.000 1.031 241 I CB 2.362 39.931 38.000 -0.718 0.000 1.231 241 I HN -0.250 nan 8.210 nan 0.000 0.427 242 T N 1.504 115.899 114.554 -0.265 0.000 2.875 242 T HA 0.142 4.493 4.350 0.001 0.000 0.284 242 T C 0.373 175.040 174.700 -0.055 0.000 0.995 242 T CA -0.470 61.567 62.100 -0.105 0.000 1.060 242 T CB 1.577 70.400 68.868 -0.076 0.000 0.967 242 T HN 0.476 nan 8.240 nan 0.000 0.476 243 D N 1.060 121.545 120.400 0.141 0.000 2.190 243 D HA -0.115 4.526 4.640 0.001 0.000 0.200 243 D C 1.938 178.331 176.300 0.154 0.000 0.992 243 D CA 1.122 55.305 54.000 0.305 0.000 0.854 243 D CB 0.127 41.158 40.800 0.384 0.000 0.936 243 D HN 0.618 nan 8.370 nan 0.000 0.462 244 E N 0.685 120.937 120.200 0.086 0.000 2.047 244 E HA -0.129 4.222 4.350 0.001 0.000 0.191 244 E C 1.786 178.388 176.600 0.004 0.000 0.987 244 E CA 1.008 57.442 56.400 0.056 0.000 0.799 244 E CB -0.017 29.706 29.700 0.039 0.000 0.752 244 E HN 0.308 nan 8.360 nan 0.000 0.449 245 E N -0.682 119.476 120.200 -0.070 0.000 2.049 245 E HA -0.243 4.108 4.350 0.001 0.000 0.198 245 E C 2.111 178.656 176.600 -0.091 0.000 1.007 245 E CA 1.541 57.860 56.400 -0.134 0.000 0.809 245 E CB -0.383 29.154 29.700 -0.271 0.000 0.749 245 E HN 0.445 nan 8.360 nan 0.000 0.450 246 Y N 1.034 121.227 120.300 -0.178 0.000 2.053 246 Y HA -0.287 4.264 4.550 0.001 0.000 0.277 246 Y C 2.604 178.417 175.900 -0.145 0.000 1.159 246 Y CA 1.269 59.202 58.100 -0.279 0.000 1.125 246 Y CB -0.057 37.794 38.460 -1.015 0.000 0.969 246 Y HN -0.023 nan 8.280 nan 0.000 0.492 247 K N -0.142 120.255 120.400 -0.006 0.000 2.020 247 K HA -0.226 4.094 4.320 0.001 0.000 0.212 247 K C 1.927 178.584 176.600 0.095 0.000 1.050 247 K CA 1.632 57.963 56.287 0.073 0.000 0.929 247 K CB -0.230 32.352 32.500 0.136 0.000 0.714 247 K HN 0.236 nan 8.250 nan 0.000 0.443 248 E N 0.435 120.688 120.200 0.087 0.000 2.070 248 E HA -0.212 4.139 4.350 0.001 0.000 0.197 248 E C 1.823 178.501 176.600 0.129 0.000 1.004 248 E CA 1.110 57.558 56.400 0.081 0.000 0.805 248 E CB -0.341 29.387 29.700 0.046 0.000 0.744 248 E HN 0.197 nan 8.360 nan 0.000 0.451 249 F N 1.117 121.072 119.950 0.008 0.000 2.026 249 F HA -0.288 4.240 4.527 0.001 0.000 0.296 249 F C 2.454 178.268 175.800 0.023 0.000 1.133 249 F CA 1.715 59.760 58.000 0.075 0.000 1.188 249 F CB -1.281 37.831 39.000 0.186 0.000 0.968 249 F HN 0.103 nan 8.300 nan 0.000 0.476 250 Y N 1.555 121.593 120.300 -0.435 0.000 2.102 250 Y HA -0.331 4.220 4.550 0.001 0.000 0.280 250 Y C 2.362 178.029 175.900 -0.388 0.000 1.178 250 Y CA 2.556 60.144 58.100 -0.853 0.000 1.146 250 Y CB -0.927 36.601 38.460 -1.552 0.000 0.968 250 Y HN 0.149 nan 8.280 nan 0.000 0.504 251 K N -0.819 119.260 120.400 -0.534 0.000 2.034 251 K HA -0.322 3.999 4.320 0.001 0.000 0.214 251 K C 2.270 178.705 176.600 -0.275 0.000 1.051 251 K CA 2.008 58.032 56.287 -0.438 0.000 0.931 251 K CB -0.671 31.774 32.500 -0.092 0.000 0.715 251 K HN 0.593 nan 8.250 nan 0.000 0.446 252 H N 0.694 119.628 119.070 -0.226 0.000 2.293 252 H HA -0.079 4.478 4.556 0.001 0.000 0.300 252 H C 1.930 177.198 175.328 -0.100 0.000 1.082 252 H CA 1.767 57.752 56.048 -0.106 0.000 1.308 252 H CB 0.050 29.819 29.762 0.012 0.000 1.375 252 H HN 0.240 nan 8.280 nan 0.000 0.495 253 I N -1.517 118.945 120.570 -0.181 0.000 3.686 253 I HA 0.202 4.373 4.170 0.001 0.000 0.308 253 I C 1.425 177.413 176.117 -0.214 0.000 1.254 253 I CA 0.741 61.928 61.300 -0.188 0.000 1.175 253 I CB 0.205 38.021 38.000 -0.307 0.000 1.009 253 I HN 0.087 nan 8.210 nan 0.000 0.459 254 A N -0.280 122.369 122.820 -0.285 0.000 2.312 254 A HA 0.186 4.507 4.320 0.001 0.000 0.215 254 A C 1.148 178.625 177.584 -0.177 0.000 1.256 254 A CA 0.060 51.905 52.037 -0.320 0.000 0.966 254 A CB -0.475 18.127 19.000 -0.664 0.000 1.053 254 A HN 0.646 nan 8.150 nan 0.000 0.510 255 H N -0.398 118.487 119.070 -0.309 0.000 3.179 255 H HA -0.177 4.380 4.556 0.001 0.000 0.250 255 H C -0.180 174.950 175.328 -0.330 0.000 1.142 255 H CA 0.878 56.783 56.048 -0.239 0.000 1.165 255 H CB -0.727 28.939 29.762 -0.160 0.000 1.253 255 H HN 0.673 nan 8.280 nan 0.000 0.325 256 D N -0.541 119.643 120.400 -0.360 0.000 2.326 256 D HA 0.226 4.867 4.640 0.001 0.000 0.251 256 D C 0.624 176.639 176.300 -0.475 0.000 1.023 256 D CA -0.387 53.232 54.000 -0.634 0.000 0.966 256 D CB 0.930 41.446 40.800 -0.473 0.000 1.156 256 D HN 0.096 nan 8.370 nan 0.000 0.494 257 F N -0.570 119.358 119.950 -0.038 0.000 2.880 257 F HA 0.375 4.903 4.527 0.001 0.000 0.346 257 F C 0.344 176.166 175.800 0.037 0.000 1.054 257 F CA -0.890 57.102 58.000 -0.014 0.000 1.151 257 F CB -1.089 37.911 39.000 -0.001 0.000 1.066 257 F HN 0.039 nan 8.300 nan 0.000 0.566 258 N N 2.575 121.512 118.700 0.395 0.000 2.415 258 N HA 0.048 4.788 4.740 0.001 0.000 0.248 258 N C -0.464 175.216 175.510 0.283 0.000 1.271 258 N CA -0.067 53.165 53.050 0.303 0.000 0.913 258 N CB 0.449 39.096 38.487 0.266 0.000 1.129 258 N HN 0.125 nan 8.380 nan 0.000 0.444 259 D N 1.311 121.869 120.400 0.263 0.000 2.344 259 D HA 0.125 4.766 4.640 0.001 0.000 0.244 259 D C -2.192 174.290 176.300 0.303 0.000 1.134 259 D CA -0.886 53.288 54.000 0.289 0.000 0.930 259 D CB 0.419 41.360 40.800 0.236 0.000 1.175 259 D HN 0.311 nan 8.370 nan 0.000 0.437 260 P HA 0.079 nan 4.420 nan 0.000 0.274 260 P C 0.760 178.169 177.300 0.182 0.000 1.231 260 P CA -0.320 62.784 63.100 0.008 0.000 0.790 260 P CB 1.239 32.884 31.700 -0.093 0.000 0.951 261 L N -0.323 120.976 121.223 0.127 0.000 2.341 261 L HA 0.088 4.429 4.340 0.001 0.000 0.214 261 L C 1.353 178.254 176.870 0.052 0.000 1.115 261 L CA 1.232 56.144 54.840 0.119 0.000 0.820 261 L CB -0.115 42.024 42.059 0.132 0.000 0.944 261 L HN 0.555 nan 8.230 nan 0.000 0.452 262 T N -1.757 112.840 114.554 0.070 0.000 2.717 262 T HA 0.364 4.715 4.350 0.001 0.000 0.315 262 T C -2.409 172.337 174.700 0.078 0.000 1.746 262 T CA -0.664 61.356 62.100 -0.133 0.000 1.001 262 T CB 1.098 69.829 68.868 -0.228 0.000 1.673 262 T HN 0.231 nan 8.240 nan 0.000 0.498 263 W N 0.490 121.721 121.300 -0.115 0.000 3.213 263 W HA 0.807 5.468 4.660 0.001 0.000 0.318 263 W C -1.362 174.995 176.519 -0.270 0.000 1.248 263 W CA -0.881 56.297 57.345 -0.278 0.000 1.187 263 W CB 1.057 30.229 29.460 -0.480 0.000 1.403 263 W HN 0.646 nan 8.180 nan 0.000 0.556 264 S N 1.624 117.296 115.700 -0.047 0.000 2.659 264 S HA 0.340 4.810 4.470 0.001 0.000 0.312 264 S C -1.671 172.947 174.600 0.031 0.000 1.114 264 S CA -0.462 57.721 58.200 -0.028 0.000 1.063 264 S CB 0.265 63.428 63.200 -0.062 0.000 0.996 264 S HN 0.665 nan 8.310 nan 0.000 0.478 265 H N 4.947 124.016 119.070 -0.001 0.000 2.762 265 H HA 0.519 5.076 4.556 0.001 0.000 0.310 265 H C -1.063 174.295 175.328 0.051 0.000 1.004 265 H CA -0.337 55.728 56.048 0.028 0.000 1.267 265 H CB 0.338 30.145 29.762 0.076 0.000 1.437 265 H HN 0.781 nan 8.280 nan 0.000 0.498 266 N N 3.233 121.806 118.700 -0.213 0.000 2.629 266 N HA 0.442 5.182 4.740 0.001 0.000 0.279 266 N C -1.168 174.200 175.510 -0.236 0.000 1.344 266 N CA -1.087 51.885 53.050 -0.131 0.000 0.789 266 N CB 2.291 40.724 38.487 -0.089 0.000 1.508 266 N HN 0.431 nan 8.380 nan 0.000 0.516 267 R N 0.852 121.248 120.500 -0.173 0.000 2.502 267 R HA 0.475 4.816 4.340 0.001 0.000 0.298 267 R C -2.051 174.100 176.300 -0.248 0.000 1.018 267 R CA -0.554 55.423 56.100 -0.205 0.000 0.899 267 R CB 1.124 31.368 30.300 -0.094 0.000 1.181 267 R HN 0.426 nan 8.270 nan 0.000 0.444 268 V N 4.856 124.514 119.914 -0.427 0.000 2.350 268 V HA 0.305 4.426 4.120 0.001 0.000 0.276 268 V C 0.131 176.070 176.094 -0.258 0.000 1.028 268 V CA -0.725 61.341 62.300 -0.390 0.000 0.860 268 V CB 1.251 32.692 31.823 -0.636 0.000 0.990 268 V HN 0.738 nan 8.190 nan 0.000 0.453 269 E N 2.681 122.792 120.200 -0.148 0.000 2.280 269 E HA 0.750 5.101 4.350 0.001 0.000 0.261 269 E C 0.731 177.283 176.600 -0.080 0.000 1.088 269 E CA 0.421 56.762 56.400 -0.099 0.000 0.915 269 E CB 1.718 31.378 29.700 -0.067 0.000 1.141 269 E HN 0.929 nan 8.360 nan 0.000 0.433 270 G N 0.929 109.688 108.800 -0.069 0.000 2.516 270 G HA2 -0.279 3.682 3.960 0.001 0.000 0.220 270 G HA3 -0.279 3.682 3.960 0.001 0.000 0.220 270 G C 0.656 175.519 174.900 -0.062 0.000 1.165 270 G CA 0.143 45.213 45.100 -0.051 0.000 1.013 270 G HN 0.417 nan 8.290 nan 0.000 0.590 271 K N 0.003 120.389 120.400 -0.024 0.000 1.969 271 K HA -0.039 4.282 4.320 0.001 0.000 0.223 271 K C 1.408 177.973 176.600 -0.058 0.000 1.048 271 K CA 1.602 57.882 56.287 -0.011 0.000 0.983 271 K CB -0.234 32.284 32.500 0.030 0.000 0.738 271 K HN 0.421 nan 8.250 nan 0.000 0.446 272 Q N 0.858 120.665 119.800 0.011 0.000 2.221 272 Q HA 0.211 4.551 4.340 0.001 0.000 0.242 272 Q C -1.224 174.845 176.000 0.114 0.000 0.940 272 Q CA -0.012 55.806 55.803 0.024 0.000 0.896 272 Q CB 1.962 30.751 28.738 0.085 0.000 1.226 272 Q HN 0.169 nan 8.270 nan 0.000 0.463 273 E N 1.637 121.917 120.200 0.134 0.000 2.260 273 E HA 0.475 4.826 4.350 0.001 0.000 0.266 273 E C -1.919 174.802 176.600 0.201 0.000 0.887 273 E CA -0.508 55.934 56.400 0.070 0.000 0.777 273 E CB 0.933 30.590 29.700 -0.072 0.000 1.205 273 E HN 0.503 nan 8.360 nan 0.000 0.414 274 Y N -0.390 119.882 120.300 -0.047 0.000 2.527 274 Y HA 0.380 4.931 4.550 0.001 0.000 0.328 274 Y C -1.531 174.343 175.900 -0.044 0.000 1.216 274 Y CA -1.176 56.901 58.100 -0.038 0.000 1.152 274 Y CB 0.744 39.175 38.460 -0.049 0.000 1.342 274 Y HN 0.172 nan 8.280 nan 0.000 0.465 275 T N 3.092 117.662 114.554 0.026 0.000 2.744 275 T HA 0.546 4.897 4.350 0.001 0.000 0.291 275 T C -0.252 174.426 174.700 -0.037 0.000 0.957 275 T CA -0.420 61.647 62.100 -0.056 0.000 1.002 275 T CB 0.906 69.825 68.868 0.085 0.000 0.919 275 T HN 0.823 nan 8.240 nan 0.000 0.468 276 S N 3.657 119.285 115.700 -0.121 0.000 2.482 276 S HA 0.749 5.220 4.470 0.001 0.000 0.303 276 S C -1.003 173.489 174.600 -0.181 0.000 1.091 276 S CA -0.936 57.220 58.200 -0.074 0.000 1.057 276 S CB 1.236 64.487 63.200 0.086 0.000 1.031 276 S HN 0.521 nan 8.310 nan 0.000 0.485 277 L N 3.935 125.086 121.223 -0.120 0.000 2.406 277 L HA 0.795 5.136 4.340 0.001 0.000 0.272 277 L C -2.130 174.662 176.870 -0.129 0.000 0.980 277 L CA -0.589 54.213 54.840 -0.063 0.000 0.831 277 L CB 1.258 43.427 42.059 0.183 0.000 1.253 277 L HN 0.786 nan 8.230 nan 0.000 0.406 278 L N 5.702 126.794 121.223 -0.219 0.000 2.401 278 L HA 0.618 4.959 4.340 0.001 0.000 0.266 278 L C -1.178 175.504 176.870 -0.314 0.000 0.991 278 L CA -0.285 54.443 54.840 -0.186 0.000 0.818 278 L CB 2.120 44.125 42.059 -0.091 0.000 1.321 278 L HN 0.458 nan 8.230 nan 0.000 0.413 279 Y N 1.935 122.248 120.300 0.022 0.000 2.524 279 Y HA 0.632 5.183 4.550 0.001 0.000 0.344 279 Y C -0.157 175.685 175.900 -0.097 0.000 1.012 279 Y CA -0.822 57.243 58.100 -0.058 0.000 1.068 279 Y CB 2.249 40.551 38.460 -0.264 0.000 1.249 279 Y HN 0.288 nan 8.280 nan 0.000 0.468 280 I N 4.787 125.390 120.570 0.055 0.000 2.371 280 I HA 0.281 4.452 4.170 0.001 0.000 0.282 280 I C -2.493 173.618 176.117 -0.011 0.000 1.031 280 I CA -2.130 59.175 61.300 0.008 0.000 1.180 280 I CB 1.205 39.198 38.000 -0.012 0.000 1.336 280 I HN 0.269 nan 8.210 nan 0.000 0.467 281 P HA 0.030 nan 4.420 nan 0.000 0.272 281 P C 0.602 178.094 177.300 0.320 0.000 1.248 281 P CA 0.073 63.249 63.100 0.127 0.000 0.799 281 P CB 0.601 32.477 31.700 0.293 0.000 0.997 282 S N -2.454 113.402 115.700 0.259 0.000 2.526 282 S HA 0.208 4.679 4.470 0.001 0.000 0.220 282 S C 0.401 175.028 174.600 0.044 0.000 1.017 282 S CA 0.043 58.346 58.200 0.172 0.000 0.930 282 S CB -0.066 63.224 63.200 0.149 0.000 0.856 282 S HN 0.428 nan 8.310 nan 0.000 0.497 283 Q N 1.431 121.289 119.800 0.095 0.000 2.444 283 Q HA 0.658 4.999 4.340 0.001 0.000 0.251 283 Q C -1.000 175.023 176.000 0.039 0.000 0.939 283 Q CA -0.172 55.626 55.803 -0.008 0.000 0.740 283 Q CB 1.688 30.460 28.738 0.056 0.000 1.308 283 Q HN 0.437 nan 8.270 nan 0.000 0.461 284 A N 5.211 127.957 122.820 -0.123 0.000 2.537 284 A HA 0.323 4.644 4.320 0.001 0.000 0.260 284 A C -2.032 175.570 177.584 0.029 0.000 1.082 284 A CA -0.549 51.529 52.037 0.068 0.000 0.765 284 A CB -0.449 18.512 19.000 -0.065 0.000 1.019 284 A HN 0.543 nan 8.150 nan 0.000 0.507 285 P HA -0.010 nan 4.420 nan 0.000 0.285 285 P C 1.275 178.545 177.300 -0.050 0.000 1.282 285 P CA -0.295 62.755 63.100 -0.082 0.000 0.778 285 P CB 0.149 31.646 31.700 -0.339 0.000 1.222 286 W N 0.673 121.986 121.300 0.022 0.000 2.354 286 W HA -0.138 4.522 4.660 0.001 0.000 0.315 286 W C 0.944 177.497 176.519 0.056 0.000 1.206 286 W CA 1.791 59.159 57.345 0.038 0.000 1.290 286 W CB -2.280 27.195 29.460 0.025 0.000 1.152 286 W HN 0.316 nan 8.180 nan 0.000 0.489 287 D N 0.053 120.175 120.400 -0.463 0.000 2.351 287 D HA -0.220 4.421 4.640 0.001 0.000 0.216 287 D C 1.986 178.194 176.300 -0.154 0.000 0.968 287 D CA 1.057 54.876 54.000 -0.302 0.000 0.899 287 D CB -0.667 39.705 40.800 -0.714 0.000 0.907 287 D HN -0.146 nan 8.370 nan 0.000 0.514 288 M N -0.305 119.196 119.600 -0.164 0.000 2.204 288 M HA -0.193 4.288 4.480 0.001 0.000 0.255 288 M C 0.610 176.732 176.300 -0.297 0.000 1.073 288 M CA 1.627 56.795 55.300 -0.221 0.000 1.084 288 M CB -0.761 31.758 32.600 -0.134 0.000 1.289 288 M HN 0.328 nan 8.290 nan 0.000 0.419 289 W N 0.266 121.545 121.300 -0.035 0.000 3.151 289 W HA 0.210 4.871 4.660 0.002 0.000 0.424 289 W C -0.426 176.076 176.519 -0.027 0.000 1.012 289 W CA -0.292 57.030 57.345 -0.039 0.000 2.018 289 W CB 0.134 29.571 29.460 -0.038 0.000 1.087 289 W HN 0.272 nan 8.180 nan 0.000 0.740 290 N N 0.591 119.372 118.700 0.135 0.000 3.112 290 N HA 0.503 5.244 4.740 0.001 0.000 0.231 290 N C -0.923 174.631 175.510 0.073 0.000 1.385 290 N CA -0.208 52.907 53.050 0.108 0.000 0.790 290 N CB 0.510 39.074 38.487 0.128 0.000 1.563 290 N HN 0.004 nan 8.380 nan 0.000 0.613 291 R N -0.219 120.297 120.500 0.028 0.000 2.907 291 R HA 0.521 4.862 4.340 0.001 0.000 0.246 291 R C -0.953 175.341 176.300 -0.010 0.000 1.082 291 R CA -0.124 55.998 56.100 0.037 0.000 1.003 291 R CB -0.794 29.548 30.300 0.071 0.000 1.261 291 R HN 0.399 nan 8.270 nan 0.000 0.474 292 D N 0.797 121.194 120.400 -0.005 0.000 2.941 292 D HA 0.324 4.964 4.640 0.001 0.000 0.236 292 D C 0.089 176.381 176.300 -0.014 0.000 1.147 292 D CA 0.938 54.917 54.000 -0.034 0.000 0.975 292 D CB -0.537 40.238 40.800 -0.041 0.000 1.162 292 D HN 0.685 nan 8.370 nan 0.000 0.444 293 H N -0.550 118.404 119.070 -0.194 0.000 3.059 293 H HA 0.313 4.870 4.556 0.001 0.000 0.302 293 H C -0.604 174.369 175.328 -0.591 0.000 1.264 293 H CA -0.711 55.154 56.048 -0.304 0.000 1.615 293 H CB 0.526 30.178 29.762 -0.183 0.000 1.795 293 H HN 0.166 nan 8.280 nan 0.000 0.556 294 K N 1.536 121.676 120.400 -0.434 0.000 2.107 294 K HA 0.273 4.594 4.320 0.001 0.000 0.251 294 K C -0.184 175.918 176.600 -0.831 0.000 1.012 294 K CA -0.004 55.920 56.287 -0.605 0.000 0.920 294 K CB 1.111 33.407 32.500 -0.340 0.000 1.033 294 K HN 0.567 nan 8.250 nan 0.000 0.478 295 H N -0.857 118.033 119.070 -0.299 0.000 5.295 295 H HA 0.362 4.919 4.556 0.001 0.000 0.122 295 H C 1.129 176.336 175.328 -0.202 0.000 1.318 295 H CA -0.147 55.732 56.048 -0.281 0.000 0.249 295 H CB -0.474 29.067 29.762 -0.368 0.000 1.675 295 H HN 0.683 nan 8.280 nan 0.000 0.189 296 G N 1.562 110.351 108.800 -0.017 0.000 2.793 296 G HA2 -0.358 3.603 3.960 0.001 0.000 0.334 296 G HA3 -0.358 3.603 3.960 0.001 0.000 0.334 296 G C -0.051 174.801 174.900 -0.080 0.000 1.186 296 G CA 0.424 45.490 45.100 -0.056 0.000 0.960 296 G HN 0.387 nan 8.290 nan 0.000 0.562 297 L N 2.070 123.229 121.223 -0.107 0.000 2.660 297 L HA 0.117 4.458 4.340 0.001 0.000 0.272 297 L C 0.757 177.504 176.870 -0.205 0.000 1.194 297 L CA 1.073 55.823 54.840 -0.149 0.000 0.945 297 L CB 0.180 42.142 42.059 -0.162 0.000 1.212 297 L HN 0.458 nan 8.230 nan 0.000 0.490 298 K N 4.532 124.789 120.400 -0.239 0.000 2.248 298 K HA 0.292 4.613 4.320 0.001 0.000 0.281 298 K C -0.403 175.885 176.600 -0.520 0.000 1.054 298 K CA -0.745 55.305 56.287 -0.395 0.000 0.903 298 K CB 1.528 33.817 32.500 -0.351 0.000 1.077 298 K HN 0.264 nan 8.250 nan 0.000 0.474 299 L N 4.729 125.569 121.223 -0.638 0.000 2.255 299 L HA 0.312 4.653 4.340 0.001 0.000 0.289 299 L C -1.463 175.005 176.870 -0.669 0.000 1.046 299 L CA -0.122 54.366 54.840 -0.587 0.000 0.816 299 L CB -0.069 41.672 42.059 -0.530 0.000 1.197 299 L HN 0.413 nan 8.230 nan 0.000 0.427 300 Y N 3.553 123.613 120.300 -0.401 0.000 2.387 300 Y HA 0.655 5.206 4.550 0.001 0.000 0.330 300 Y C -0.069 175.763 175.900 -0.114 0.000 1.133 300 Y CA -0.656 57.301 58.100 -0.238 0.000 1.152 300 Y CB 2.039 40.408 38.460 -0.152 0.000 1.215 300 Y HN 0.293 nan 8.280 nan 0.000 0.466 301 V N 3.554 123.544 119.914 0.126 0.000 2.409 301 V HA 0.207 4.328 4.120 0.001 0.000 0.290 301 V C -0.804 175.375 176.094 0.142 0.000 1.017 301 V CA -1.006 61.355 62.300 0.102 0.000 0.841 301 V CB 1.242 33.101 31.823 0.061 0.000 1.003 301 V HN 0.820 nan 8.190 nan 0.000 0.426 302 Q N 4.460 124.343 119.800 0.137 0.000 2.464 302 Q HA -0.212 4.129 4.340 0.001 0.000 0.304 302 Q C 0.826 176.924 176.000 0.164 0.000 1.401 302 Q CA 0.736 56.615 55.803 0.127 0.000 0.806 302 Q CB -1.102 27.692 28.738 0.094 0.000 1.134 302 Q HN 0.984 nan 8.270 nan 0.000 0.411 303 R N -3.081 117.556 120.500 0.229 0.000 3.847 303 R HA -0.230 4.111 4.340 0.001 0.000 0.304 303 R C -0.002 176.488 176.300 0.317 0.000 1.203 303 R CA 1.204 57.465 56.100 0.268 0.000 0.835 303 R CB -1.743 28.629 30.300 0.120 0.000 1.253 303 R HN 0.247 nan 8.270 nan 0.000 0.516 304 V N 0.244 120.372 119.914 0.357 0.000 2.769 304 V HA 0.418 4.539 4.120 0.001 0.000 0.312 304 V C 0.188 176.602 176.094 0.534 0.000 1.058 304 V CA -0.805 61.730 62.300 0.392 0.000 0.952 304 V CB 1.654 33.619 31.823 0.236 0.000 1.019 304 V HN 0.126 nan 8.190 nan 0.000 0.445 305 F N 3.134 123.280 119.950 0.327 0.000 2.427 305 F HA 0.370 4.897 4.527 0.001 0.000 0.352 305 F C 0.661 176.407 175.800 -0.090 0.000 1.100 305 F CA -0.090 57.891 58.000 -0.032 0.000 1.191 305 F CB 0.595 39.605 39.000 0.016 0.000 1.128 305 F HN 0.297 nan 8.300 nan 0.000 0.533 306 I N 4.699 125.165 120.570 -0.173 0.000 4.728 306 I HA 0.120 4.291 4.170 0.001 0.000 0.233 306 I C 0.345 176.554 176.117 0.154 0.000 1.004 306 I CA 0.393 61.702 61.300 0.014 0.000 1.677 306 I CB -0.395 37.536 38.000 -0.115 0.000 1.509 306 I HN 0.486 nan 8.210 nan 0.000 0.463 307 M N 0.467 119.998 119.600 -0.115 0.000 2.311 307 M HA 0.444 4.925 4.480 0.001 0.000 0.325 307 M C -0.909 175.302 176.300 -0.148 0.000 1.061 307 M CA -0.580 54.753 55.300 0.055 0.000 0.957 307 M CB 2.031 34.634 32.600 0.006 0.000 1.646 307 M HN 0.088 nan 8.290 nan 0.000 0.434 308 D N 4.375 124.934 120.400 0.265 0.000 2.660 308 D HA -0.015 4.625 4.640 0.001 0.000 0.253 308 D C -0.896 175.406 176.300 0.003 0.000 1.256 308 D CA 1.956 56.036 54.000 0.133 0.000 0.914 308 D CB 0.134 41.058 40.800 0.205 0.000 1.137 308 D HN 0.698 nan 8.370 nan 0.000 0.542 309 D N 0.684 121.031 120.400 -0.089 0.000 4.280 309 D HA -0.069 4.572 4.640 0.001 0.000 0.225 309 D C -0.856 175.419 176.300 -0.040 0.000 1.273 309 D CA 0.445 54.412 54.000 -0.055 0.000 0.948 309 D CB -0.880 39.932 40.800 0.019 0.000 0.545 309 D HN 0.398 nan 8.370 nan 0.000 0.247 310 A N 2.773 125.559 122.820 -0.056 0.000 2.342 310 A HA 0.667 4.988 4.320 0.001 0.000 0.323 310 A C 0.404 177.990 177.584 0.003 0.000 1.125 310 A CA -0.828 51.217 52.037 0.015 0.000 0.785 310 A CB 0.954 20.026 19.000 0.120 0.000 1.221 310 A HN 0.363 nan 8.150 nan 0.000 0.463 311 E N 1.890 122.075 120.200 -0.026 0.000 2.360 311 E HA 0.335 4.686 4.350 0.001 0.000 0.253 311 E C -0.413 176.141 176.600 -0.076 0.000 1.189 311 E CA -0.246 56.110 56.400 -0.074 0.000 1.252 311 E CB 0.247 29.873 29.700 -0.124 0.000 1.408 311 E HN 0.725 nan 8.360 nan 0.000 0.464 312 Q N 0.003 119.778 119.800 -0.041 0.000 2.167 312 Q HA 0.206 4.547 4.340 0.001 0.000 0.251 312 Q C 0.351 176.131 176.000 -0.368 0.000 0.768 312 Q CA -0.057 55.612 55.803 -0.225 0.000 0.944 312 Q CB 0.389 28.936 28.738 -0.319 0.000 1.179 312 Q HN 0.433 nan 8.270 nan 0.000 0.478 313 F N 0.362 120.215 119.950 -0.162 0.000 2.645 313 F HA 0.347 4.875 4.527 0.001 0.000 0.300 313 F C 0.161 175.844 175.800 -0.195 0.000 1.115 313 F CA 0.171 58.066 58.000 -0.175 0.000 1.355 313 F CB 0.697 39.589 39.000 -0.181 0.000 1.026 313 F HN -0.039 nan 8.300 nan 0.000 0.536 314 M N 1.613 121.159 119.600 -0.090 0.000 2.271 314 M HA 0.324 4.804 4.480 0.001 0.000 0.285 314 M C -2.780 173.363 176.300 -0.262 0.000 1.059 314 M CA -1.948 53.230 55.300 -0.204 0.000 0.940 314 M CB 2.426 34.885 32.600 -0.235 0.000 1.636 314 M HN -0.256 nan 8.290 nan 0.000 0.460 315 P HA 0.241 nan 4.420 nan 0.000 0.272 315 P C 0.009 177.065 177.300 -0.407 0.000 1.223 315 P CA 0.048 62.951 63.100 -0.329 0.000 0.784 315 P CB 0.784 32.276 31.700 -0.347 0.000 0.923 316 N N 0.669 119.211 118.700 -0.263 0.000 2.137 316 N HA -0.225 4.516 4.740 0.001 0.000 0.190 316 N C 1.429 176.744 175.510 -0.324 0.000 1.017 316 N CA 1.485 54.373 53.050 -0.269 0.000 0.859 316 N CB -1.083 37.299 38.487 -0.175 0.000 1.002 316 N HN 0.636 nan 8.380 nan 0.000 0.428 317 Y N -0.627 119.499 120.300 -0.289 0.000 2.519 317 Y HA 0.351 4.901 4.550 0.001 0.000 0.311 317 Y C 0.240 175.900 175.900 -0.400 0.000 1.207 317 Y CA 0.152 58.090 58.100 -0.271 0.000 1.289 317 Y CB -0.322 38.039 38.460 -0.166 0.000 1.059 317 Y HN -0.025 nan 8.280 nan 0.000 0.507 318 L N 1.548 122.219 121.223 -0.920 0.000 3.510 318 L HA 0.276 4.617 4.340 0.001 0.000 0.324 318 L C 1.397 177.497 176.870 -1.283 0.000 1.307 318 L CA -0.224 53.821 54.840 -1.326 0.000 1.011 318 L CB 0.272 41.748 42.059 -0.973 0.000 1.422 318 L HN 0.177 nan 8.230 nan 0.000 0.617 319 R N 0.380 120.323 120.500 -0.929 0.000 2.346 319 R HA -0.029 4.311 4.340 0.001 0.000 0.208 319 R C 1.051 177.035 176.300 -0.526 0.000 1.052 319 R CA 0.635 56.365 56.100 -0.618 0.000 1.116 319 R CB -0.606 29.408 30.300 -0.476 0.000 1.003 319 R HN 0.493 nan 8.270 nan 0.000 0.482 320 F N -1.445 118.270 119.950 -0.391 0.000 2.656 320 F HA 0.291 4.818 4.527 0.001 0.000 0.291 320 F C 0.607 176.194 175.800 -0.355 0.000 1.122 320 F CA -0.977 56.740 58.000 -0.470 0.000 1.427 320 F CB -0.212 38.183 39.000 -1.008 0.000 1.125 320 F HN -0.287 nan 8.300 nan 0.000 0.583 321 V N 4.125 123.965 119.914 -0.123 0.000 2.555 321 V HA -0.039 4.082 4.120 0.001 0.000 0.299 321 V C 0.120 176.200 176.094 -0.023 0.000 1.012 321 V CA 0.287 62.577 62.300 -0.016 0.000 1.180 321 V CB -0.684 31.051 31.823 -0.146 0.000 0.887 321 V HN 0.233 nan 8.190 nan 0.000 0.476 322 R N 3.032 123.576 120.500 0.073 0.000 2.758 322 R HA 0.918 5.259 4.340 0.001 0.000 0.265 322 R C 0.503 176.910 176.300 0.179 0.000 1.016 322 R CA -0.087 56.088 56.100 0.125 0.000 1.040 322 R CB 1.529 31.986 30.300 0.262 0.000 1.152 322 R HN 0.974 nan 8.270 nan 0.000 0.503 323 G N 0.007 108.899 108.800 0.154 0.000 2.291 323 G HA2 0.246 4.207 3.960 0.001 0.000 0.249 323 G HA3 0.246 4.207 3.960 0.001 0.000 0.249 323 G C -2.059 172.842 174.900 0.001 0.000 1.340 323 G CA -0.282 44.914 45.100 0.160 0.000 1.017 323 G HN 0.554 nan 8.290 nan 0.000 0.470 324 L N -1.562 119.627 121.223 -0.057 0.000 2.506 324 L HA 0.892 5.233 4.340 0.001 0.000 0.257 324 L C -1.061 175.672 176.870 -0.230 0.000 0.964 324 L CA -1.198 53.541 54.840 -0.168 0.000 0.836 324 L CB 1.103 43.054 42.059 -0.179 0.000 1.384 324 L HN 1.151 nan 8.230 nan 0.000 0.410 325 I N 1.972 122.384 120.570 -0.263 0.000 2.493 325 I HA 0.541 4.712 4.170 0.001 0.000 0.298 325 I C -1.287 174.701 176.117 -0.215 0.000 0.998 325 I CA 0.181 61.341 61.300 -0.232 0.000 1.137 325 I CB 1.992 39.826 38.000 -0.277 0.000 1.310 325 I HN 0.880 nan 8.210 nan 0.000 0.445 326 D N 5.735 126.063 120.400 -0.120 0.000 2.438 326 D HA 0.204 4.845 4.640 0.001 0.000 0.257 326 D C -0.693 175.662 176.300 0.091 0.000 1.148 326 D CA 0.025 54.022 54.000 -0.006 0.000 0.902 326 D CB 1.047 41.875 40.800 0.046 0.000 1.062 326 D HN 0.449 nan 8.370 nan 0.000 0.518 327 S N 1.926 117.653 115.700 0.045 0.000 2.565 327 S HA 0.477 4.948 4.470 0.001 0.000 0.274 327 S C 0.033 174.689 174.600 0.093 0.000 1.309 327 S CA -0.367 57.882 58.200 0.081 0.000 1.043 327 S CB 0.529 63.730 63.200 0.002 0.000 0.939 327 S HN 0.371 nan 8.310 nan 0.000 0.504 328 S N 2.751 118.507 115.700 0.093 0.000 2.690 328 S HA 0.439 4.910 4.470 0.001 0.000 0.291 328 S C 0.015 174.650 174.600 0.059 0.000 1.138 328 S CA -0.743 57.498 58.200 0.069 0.000 1.013 328 S CB 0.853 64.080 63.200 0.045 0.000 1.053 328 S HN 0.871 nan 8.310 nan 0.000 0.539 329 D N -1.305 119.144 120.400 0.082 0.000 2.705 329 D HA -0.152 4.489 4.640 0.001 0.000 0.187 329 D C -0.195 176.212 176.300 0.179 0.000 1.015 329 D CA 0.611 54.699 54.000 0.146 0.000 1.030 329 D CB -0.900 39.878 40.800 -0.036 0.000 1.100 329 D HN 0.339 nan 8.370 nan 0.000 0.439 330 L N 3.160 124.448 121.223 0.108 0.000 2.433 330 L HA 0.250 4.590 4.340 0.001 0.000 0.275 330 L C -1.851 175.079 176.870 0.099 0.000 1.128 330 L CA -1.118 53.778 54.840 0.093 0.000 0.875 330 L CB 0.231 42.324 42.059 0.058 0.000 1.171 330 L HN -0.210 nan 8.230 nan 0.000 0.463 331 P HA -0.012 nan 4.420 nan 0.000 0.264 331 P C -0.243 177.124 177.300 0.112 0.000 1.229 331 P CA -0.532 62.648 63.100 0.134 0.000 0.780 331 P CB 0.504 32.328 31.700 0.207 0.000 0.808 332 L N 4.058 125.334 121.223 0.088 0.000 2.558 332 L HA -0.106 4.235 4.340 0.001 0.000 0.301 332 L C 1.168 178.083 176.870 0.076 0.000 1.267 332 L CA 1.867 56.751 54.840 0.073 0.000 0.854 332 L CB -0.788 41.307 42.059 0.061 0.000 1.103 332 L HN 0.756 nan 8.230 nan 0.000 0.522 333 N N 0.405 119.145 118.700 0.067 0.000 2.938 333 N HA -0.231 4.510 4.740 0.001 0.000 0.195 333 N C -0.031 175.526 175.510 0.080 0.000 0.990 333 N CA 1.237 54.326 53.050 0.065 0.000 1.020 333 N CB -1.763 36.756 38.487 0.054 0.000 0.986 333 N HN 0.784 nan 8.380 nan 0.000 0.575 334 V N 0.411 120.380 119.914 0.093 0.000 2.843 334 V HA 0.380 4.501 4.120 0.001 0.000 0.305 334 V C 0.547 176.677 176.094 0.061 0.000 1.120 334 V CA 1.268 63.620 62.300 0.086 0.000 1.254 334 V CB 0.861 32.729 31.823 0.075 0.000 0.901 334 V HN 0.662 nan 8.190 nan 0.000 0.503 335 S N 4.098 119.831 115.700 0.057 0.000 2.638 335 S HA 0.526 4.997 4.470 0.001 0.000 0.274 335 S C 0.731 175.353 174.600 0.037 0.000 1.157 335 S CA -0.379 57.847 58.200 0.043 0.000 0.826 335 S CB 1.799 65.022 63.200 0.038 0.000 1.139 335 S HN 0.820 nan 8.310 nan 0.000 0.474 336 R N 1.112 121.630 120.500 0.030 0.000 2.159 336 R HA -0.193 4.147 4.340 0.001 0.000 0.249 336 R C 1.955 178.254 176.300 -0.001 0.000 1.136 336 R CA 2.466 58.577 56.100 0.019 0.000 0.951 336 R CB -0.610 29.696 30.300 0.009 0.000 0.876 336 R HN 0.719 nan 8.270 nan 0.000 0.440 337 E N 1.016 121.217 120.200 0.002 0.000 2.035 337 E HA -0.240 4.110 4.350 0.001 0.000 0.204 337 E C 2.064 178.660 176.600 -0.007 0.000 1.025 337 E CA 1.647 58.045 56.400 -0.004 0.000 0.835 337 E CB -0.651 29.052 29.700 0.006 0.000 0.764 337 E HN 0.322 nan 8.360 nan 0.000 0.457 338 I N 1.629 122.206 120.570 0.011 0.000 2.163 338 I HA -0.262 3.909 4.170 0.001 0.000 0.243 338 I C 2.796 178.895 176.117 -0.029 0.000 1.085 338 I CA 1.092 62.397 61.300 0.007 0.000 1.347 338 I CB -0.617 37.411 38.000 0.048 0.000 1.044 338 I HN 0.007 nan 8.210 nan 0.000 0.408 339 L N -0.430 120.781 121.223 -0.019 0.000 2.012 339 L HA -0.282 4.058 4.340 0.001 0.000 0.210 339 L C 2.496 179.308 176.870 -0.096 0.000 1.073 339 L CA 1.574 56.383 54.840 -0.050 0.000 0.748 339 L CB -0.539 41.508 42.059 -0.021 0.000 0.891 339 L HN 0.339 nan 8.230 nan 0.000 0.431 340 Q N -0.674 119.077 119.800 -0.082 0.000 2.515 340 Q HA -0.162 4.179 4.340 0.001 0.000 0.212 340 Q C 0.812 176.766 176.000 -0.077 0.000 0.970 340 Q CA 0.675 56.423 55.803 -0.093 0.000 0.941 340 Q CB 0.235 28.928 28.738 -0.074 0.000 0.998 340 Q HN 0.457 nan 8.270 nan 0.000 0.518 341 D N -1.085 119.273 120.400 -0.070 0.000 2.379 341 D HA 0.010 4.651 4.640 0.001 0.000 0.218 341 D C 0.546 176.795 176.300 -0.085 0.000 1.006 341 D CA 0.232 54.192 54.000 -0.067 0.000 0.893 341 D CB 0.155 40.924 40.800 -0.052 0.000 1.019 341 D HN 0.030 nan 8.370 nan 0.000 0.503 342 S N -0.689 114.949 115.700 -0.102 0.000 2.617 342 S HA 0.147 4.618 4.470 0.001 0.000 0.259 342 S C 1.270 175.807 174.600 -0.104 0.000 1.301 342 S CA 0.014 58.146 58.200 -0.113 0.000 0.984 342 S CB 0.991 64.118 63.200 -0.121 0.000 0.954 342 S HN 0.104 nan 8.310 nan 0.000 0.572 343 T N 1.594 116.092 114.554 -0.093 0.000 3.039 343 T HA 0.041 4.392 4.350 0.001 0.000 0.250 343 T C 1.904 176.549 174.700 -0.092 0.000 1.052 343 T CA 0.613 62.662 62.100 -0.085 0.000 1.125 343 T CB -0.391 68.441 68.868 -0.062 0.000 0.908 343 T HN 0.408 nan 8.240 nan 0.000 0.473 344 V N 2.567 122.434 119.914 -0.078 0.000 2.363 344 V HA -0.274 3.847 4.120 0.001 0.000 0.254 344 V C 2.764 178.786 176.094 -0.119 0.000 1.074 344 V CA 2.281 64.543 62.300 -0.063 0.000 1.069 344 V CB -1.336 30.472 31.823 -0.025 0.000 0.659 344 V HN 0.561 nan 8.190 nan 0.000 0.455 345 T N -0.607 113.835 114.554 -0.185 0.000 2.595 345 T HA -0.296 4.055 4.350 0.001 0.000 0.264 345 T C 1.979 176.473 174.700 -0.342 0.000 1.058 345 T CA 1.973 63.847 62.100 -0.377 0.000 1.166 345 T CB -0.323 68.305 68.868 -0.400 0.000 0.863 345 T HN 0.371 nan 8.240 nan 0.000 0.415 346 R N 1.264 121.625 120.500 -0.231 0.000 2.159 346 R HA -0.201 4.139 4.340 0.001 0.000 0.249 346 R C 2.353 178.568 176.300 -0.142 0.000 1.136 346 R CA 2.080 58.078 56.100 -0.170 0.000 0.951 346 R CB -0.458 29.775 30.300 -0.112 0.000 0.876 346 R HN 0.244 nan 8.270 nan 0.000 0.440 347 N N -0.124 118.509 118.700 -0.112 0.000 2.080 347 N HA -0.123 4.618 4.740 0.001 0.000 0.189 347 N C 1.743 177.204 175.510 -0.083 0.000 1.036 347 N CA 1.327 54.334 53.050 -0.071 0.000 0.846 347 N CB -0.265 38.198 38.487 -0.041 0.000 1.015 347 N HN 0.206 nan 8.380 nan 0.000 0.423 348 L N 0.960 122.112 121.223 -0.118 0.000 2.012 348 L HA -0.198 4.143 4.340 0.001 0.000 0.210 348 L C 2.605 179.422 176.870 -0.089 0.000 1.073 348 L CA 1.275 56.040 54.840 -0.125 0.000 0.748 348 L CB -0.269 41.757 42.059 -0.055 0.000 0.891 348 L HN 0.193 nan 8.230 nan 0.000 0.431 349 R N 0.217 120.615 120.500 -0.169 0.000 2.143 349 R HA -0.285 4.056 4.340 0.001 0.000 0.239 349 R C 2.000 178.247 176.300 -0.088 0.000 1.126 349 R CA 2.769 58.778 56.100 -0.153 0.000 0.927 349 R CB -0.523 29.631 30.300 -0.244 0.000 0.860 349 R HN 0.444 nan 8.270 nan 0.000 0.433 350 N N -0.541 118.111 118.700 -0.080 0.000 2.061 350 N HA -0.241 4.500 4.740 0.001 0.000 0.193 350 N C 1.820 177.323 175.510 -0.012 0.000 1.030 350 N CA 1.499 54.526 53.050 -0.039 0.000 0.856 350 N CB -0.259 38.212 38.487 -0.026 0.000 1.023 350 N HN 0.429 nan 8.380 nan 0.000 0.424 351 A N 1.319 124.139 122.820 -0.000 0.000 1.873 351 A HA -0.185 4.136 4.320 0.001 0.000 0.218 351 A C 2.183 179.792 177.584 0.041 0.000 1.193 351 A CA 1.344 53.406 52.037 0.041 0.000 0.629 351 A CB -1.009 18.045 19.000 0.090 0.000 0.826 351 A HN 0.228 nan 8.150 nan 0.000 0.447 352 L N -0.920 120.316 121.223 0.023 0.000 2.042 352 L HA -0.197 4.144 4.340 0.001 0.000 0.210 352 L C 2.845 179.701 176.870 -0.022 0.000 1.076 352 L CA 1.867 56.715 54.840 0.013 0.000 0.749 352 L CB -1.052 41.004 42.059 -0.004 0.000 0.893 352 L HN 0.394 nan 8.230 nan 0.000 0.432 353 T N -0.528 113.999 114.554 -0.046 0.000 2.699 353 T HA -0.295 4.056 4.350 0.001 0.000 0.268 353 T C 1.880 176.574 174.700 -0.011 0.000 1.036 353 T CA 1.849 63.910 62.100 -0.066 0.000 1.147 353 T CB -0.168 68.663 68.868 -0.061 0.000 0.862 353 T HN 0.266 nan 8.240 nan 0.000 0.446 354 K N 0.560 120.967 120.400 0.012 0.000 2.020 354 K HA -0.198 4.122 4.320 0.001 0.000 0.212 354 K C 2.510 179.120 176.600 0.015 0.000 1.050 354 K CA 1.427 57.730 56.287 0.026 0.000 0.929 354 K CB -0.085 32.433 32.500 0.030 0.000 0.714 354 K HN -0.054 nan 8.250 nan 0.000 0.443 355 R N 0.666 121.172 120.500 0.010 0.000 2.091 355 R HA -0.077 4.264 4.340 0.001 0.000 0.238 355 R C 2.074 178.365 176.300 -0.016 0.000 1.136 355 R CA 1.461 57.561 56.100 -0.000 0.000 0.959 355 R CB -0.871 29.435 30.300 0.009 0.000 0.856 355 R HN 0.168 nan 8.270 nan 0.000 0.437 356 V N 0.679 120.580 119.914 -0.021 0.000 2.255 356 V HA -0.264 3.857 4.120 0.001 0.000 0.247 356 V C 2.410 178.505 176.094 0.001 0.000 1.051 356 V CA 2.014 64.300 62.300 -0.023 0.000 1.018 356 V CB -0.497 31.295 31.823 -0.052 0.000 0.641 356 V HN 0.285 nan 8.190 nan 0.000 0.445 357 L N -0.681 120.558 121.223 0.026 0.000 2.012 357 L HA -0.295 4.046 4.340 0.001 0.000 0.210 357 L C 2.737 179.619 176.870 0.019 0.000 1.073 357 L CA 1.849 56.725 54.840 0.060 0.000 0.748 357 L CB -0.632 41.482 42.059 0.091 0.000 0.891 357 L HN 0.415 nan 8.230 nan 0.000 0.431 358 Q N -0.734 119.068 119.800 0.002 0.000 2.045 358 Q HA -0.313 4.028 4.340 0.001 0.000 0.206 358 Q C 2.274 178.241 176.000 -0.054 0.000 0.991 358 Q CA 2.143 57.933 55.803 -0.021 0.000 0.851 358 Q CB -0.264 28.463 28.738 -0.019 0.000 0.911 358 Q HN 0.491 nan 8.270 nan 0.000 0.418 359 M N 0.390 119.953 119.600 -0.062 0.000 2.144 359 M HA -0.229 4.252 4.480 0.001 0.000 0.260 359 M C 1.820 178.044 176.300 -0.126 0.000 1.067 359 M CA 1.446 56.685 55.300 -0.100 0.000 1.095 359 M CB 0.031 32.574 32.600 -0.095 0.000 1.365 359 M HN 0.224 nan 8.290 nan 0.000 0.406 360 L N -0.232 120.928 121.223 -0.105 0.000 1.988 360 L HA -0.200 4.141 4.340 0.001 0.000 0.207 360 L C 2.536 179.304 176.870 -0.171 0.000 1.071 360 L CA 1.243 56.000 54.840 -0.138 0.000 0.744 360 L CB -0.853 41.166 42.059 -0.067 0.000 0.893 360 L HN 0.285 nan 8.230 nan 0.000 0.433 361 E N 0.338 120.466 120.200 -0.120 0.000 2.108 361 E HA -0.356 3.994 4.350 0.001 0.000 0.203 361 E C 2.105 178.590 176.600 -0.192 0.000 1.022 361 E CA 1.862 58.174 56.400 -0.147 0.000 0.823 361 E CB -0.242 29.415 29.700 -0.072 0.000 0.744 361 E HN 0.381 nan 8.360 nan 0.000 0.456 362 K N 0.603 120.911 120.400 -0.154 0.000 2.057 362 K HA -0.161 4.160 4.320 0.001 0.000 0.206 362 K C 2.314 178.806 176.600 -0.181 0.000 1.050 362 K CA 0.740 56.938 56.287 -0.149 0.000 0.935 362 K CB -0.190 32.232 32.500 -0.130 0.000 0.715 362 K HN 0.005 nan 8.250 nan 0.000 0.439 363 L N 1.194 122.297 121.223 -0.199 0.000 2.129 363 L HA -0.142 4.199 4.340 0.001 0.000 0.212 363 L C 2.039 178.766 176.870 -0.237 0.000 1.087 363 L CA 2.122 56.858 54.840 -0.173 0.000 0.757 363 L CB -0.692 41.301 42.059 -0.109 0.000 0.896 363 L HN 0.243 nan 8.230 nan 0.000 0.434 364 A N -1.771 120.767 122.820 -0.470 0.000 2.123 364 A HA -0.041 4.280 4.320 0.001 0.000 0.214 364 A C 2.210 179.610 177.584 -0.306 0.000 1.152 364 A CA 0.723 52.368 52.037 -0.655 0.000 0.728 364 A CB -0.309 18.084 19.000 -1.012 0.000 0.814 364 A HN 0.358 nan 8.150 nan 0.000 0.464 365 K N -0.333 119.938 120.400 -0.214 0.000 2.186 365 K HA -0.017 4.304 4.320 0.001 0.000 0.202 365 K C 0.088 176.632 176.600 -0.093 0.000 1.052 365 K CA 1.076 57.286 56.287 -0.128 0.000 0.965 365 K CB 0.082 32.520 32.500 -0.104 0.000 0.746 365 K HN 0.321 nan 8.250 nan 0.000 0.457 366 D N -0.229 120.112 120.400 -0.098 0.000 2.469 366 D HA 0.028 4.669 4.640 0.001 0.000 0.213 366 D C -0.541 175.729 176.300 -0.049 0.000 1.135 366 D CA 0.270 54.227 54.000 -0.071 0.000 0.834 366 D CB 0.756 41.505 40.800 -0.085 0.000 1.009 366 D HN -0.008 nan 8.370 nan 0.000 0.507 367 D N -0.291 120.086 120.400 -0.038 0.000 3.443 367 D HA 0.150 4.791 4.640 0.001 0.000 0.243 367 D C 0.914 177.245 176.300 0.052 0.000 1.446 367 D CA -0.155 53.848 54.000 0.005 0.000 0.880 367 D CB -0.180 40.623 40.800 0.004 0.000 1.470 367 D HN -0.082 nan 8.370 nan 0.000 0.658 368 A N 0.821 123.668 122.820 0.045 0.000 2.024 368 A HA -0.179 4.142 4.320 0.001 0.000 0.220 368 A C 1.905 179.575 177.584 0.144 0.000 1.164 368 A CA 2.030 54.128 52.037 0.101 0.000 0.643 368 A CB -0.217 18.816 19.000 0.056 0.000 0.806 368 A HN 0.464 nan 8.150 nan 0.000 0.451 369 E N 0.628 120.886 120.200 0.096 0.000 2.026 369 E HA -0.254 4.096 4.350 0.001 0.000 0.206 369 E C 1.884 178.552 176.600 0.113 0.000 1.028 369 E CA 2.342 58.796 56.400 0.090 0.000 0.845 369 E CB -0.356 29.384 29.700 0.066 0.000 0.772 369 E HN 0.569 nan 8.360 nan 0.000 0.462 370 K N -1.096 119.372 120.400 0.113 0.000 2.063 370 K HA -0.212 4.109 4.320 0.001 0.000 0.208 370 K C 2.363 179.068 176.600 0.176 0.000 1.048 370 K CA 1.528 57.889 56.287 0.123 0.000 0.928 370 K CB -0.535 32.027 32.500 0.103 0.000 0.713 370 K HN 0.263 nan 8.250 nan 0.000 0.442 371 Y N 2.266 122.614 120.300 0.081 0.000 2.165 371 Y HA -0.302 4.249 4.550 0.001 0.000 0.286 371 Y C 2.379 178.428 175.900 0.248 0.000 1.155 371 Y CA 1.539 59.716 58.100 0.129 0.000 1.164 371 Y CB -0.135 38.352 38.460 0.044 0.000 0.978 371 Y HN 0.084 nan 8.280 nan 0.000 0.513 372 Q N -0.236 119.667 119.800 0.171 0.000 2.096 372 Q HA -0.197 4.144 4.340 0.001 0.000 0.208 372 Q C 2.203 178.242 176.000 0.066 0.000 0.993 372 Q CA 2.469 58.335 55.803 0.105 0.000 0.862 372 Q CB -0.997 27.808 28.738 0.112 0.000 0.915 372 Q HN 0.552 nan 8.270 nan 0.000 0.416 373 T N 0.943 115.536 114.554 0.065 0.000 2.788 373 T HA -0.150 4.201 4.350 0.001 0.000 0.268 373 T C 1.495 176.173 174.700 -0.037 0.000 1.044 373 T CA 1.208 63.318 62.100 0.017 0.000 1.139 373 T CB -0.493 68.401 68.868 0.044 0.000 0.867 373 T HN 0.303 nan 8.240 nan 0.000 0.454 374 F N 1.106 120.978 119.950 -0.130 0.000 2.046 374 F HA -0.148 4.380 4.527 0.001 0.000 0.297 374 F C 2.295 177.973 175.800 -0.203 0.000 1.123 374 F CA 1.417 59.325 58.000 -0.154 0.000 1.199 374 F CB -0.446 38.427 39.000 -0.212 0.000 0.972 374 F HN 0.245 nan 8.300 nan 0.000 0.474 375 W N 1.518 122.549 121.300 -0.447 0.000 2.402 375 W HA -0.188 4.473 4.660 0.001 0.000 0.286 375 W C 2.187 178.486 176.519 -0.367 0.000 1.221 375 W CA 1.683 58.745 57.345 -0.471 0.000 1.257 375 W CB -0.640 28.647 29.460 -0.287 0.000 1.120 375 W HN 0.257 nan 8.180 nan 0.000 0.551 376 Q N -0.019 119.691 119.800 -0.149 0.000 2.077 376 Q HA -0.288 4.053 4.340 0.001 0.000 0.206 376 Q C 2.366 178.115 176.000 -0.417 0.000 0.989 376 Q CA 2.393 58.072 55.803 -0.208 0.000 0.853 376 Q CB -0.279 28.386 28.738 -0.121 0.000 0.907 376 Q HN 0.179 nan 8.270 nan 0.000 0.418 377 Q N -1.736 117.688 119.800 -0.627 0.000 2.250 377 Q HA 0.026 4.367 4.340 0.001 0.000 0.200 377 Q C 1.061 176.402 176.000 -1.098 0.000 0.941 377 Q CA 1.049 56.288 55.803 -0.939 0.000 0.872 377 Q CB 0.484 28.415 28.738 -1.345 0.000 0.965 377 Q HN 0.427 nan 8.270 nan 0.000 0.480 378 F N -2.013 117.485 119.950 -0.754 0.000 2.831 378 F HA 0.265 4.793 4.527 0.001 0.000 0.334 378 F C 1.908 177.259 175.800 -0.748 0.000 1.071 378 F CA -0.037 57.500 58.000 -0.771 0.000 1.172 378 F CB 0.220 38.416 39.000 -1.340 0.000 1.054 378 F HN 0.034 nan 8.300 nan 0.000 0.572 379 G N 1.391 109.585 108.800 -1.009 0.000 2.505 379 G HA2 -0.311 3.649 3.960 0.001 0.000 0.220 379 G HA3 -0.311 3.649 3.960 0.001 0.000 0.220 379 G C 1.599 175.998 174.900 -0.836 0.000 1.145 379 G CA 1.083 45.193 45.100 -1.650 0.000 0.761 379 G HN 0.245 nan 8.290 nan 0.000 0.571 380 L N 0.727 121.680 121.223 -0.449 0.000 2.261 380 L HA -0.010 4.331 4.340 0.001 0.000 0.216 380 L C 2.794 179.782 176.870 0.196 0.000 1.114 380 L CA 1.165 55.953 54.840 -0.086 0.000 0.777 380 L CB -0.279 41.779 42.059 -0.001 0.000 0.910 380 L HN 0.135 nan 8.230 nan 0.000 0.440 381 V N -1.628 118.394 119.914 0.180 0.000 2.379 381 V HA -0.147 3.973 4.120 0.001 0.000 0.243 381 V C 2.257 178.428 176.094 0.129 0.000 1.035 381 V CA 0.895 63.283 62.300 0.146 0.000 1.035 381 V CB -0.526 31.324 31.823 0.045 0.000 0.673 381 V HN 0.321 nan 8.190 nan 0.000 0.457 382 L N 0.472 121.785 121.223 0.149 0.000 2.261 382 L HA -0.139 4.202 4.340 0.001 0.000 0.216 382 L C 2.159 179.116 176.870 0.145 0.000 1.114 382 L CA 1.795 56.786 54.840 0.251 0.000 0.777 382 L CB -0.918 41.339 42.059 0.329 0.000 0.910 382 L HN 0.264 nan 8.230 nan 0.000 0.440 383 K N -0.852 119.589 120.400 0.068 0.000 2.504 383 K HA -0.123 4.198 4.320 0.001 0.000 0.195 383 K C 1.739 178.362 176.600 0.039 0.000 1.036 383 K CA 0.548 56.883 56.287 0.080 0.000 0.984 383 K CB 0.124 32.670 32.500 0.077 0.000 0.788 383 K HN 0.439 nan 8.250 nan 0.000 0.488 384 E N 0.004 120.217 120.200 0.021 0.000 2.072 384 E HA -0.117 4.234 4.350 0.001 0.000 0.191 384 E C 2.027 178.514 176.600 -0.189 0.000 0.985 384 E CA 0.896 57.262 56.400 -0.056 0.000 0.801 384 E CB -0.106 29.580 29.700 -0.024 0.000 0.750 384 E HN 0.405 nan 8.360 nan 0.000 0.452 385 G N 1.957 110.579 108.800 -0.297 0.000 2.649 385 G HA2 -0.279 3.682 3.960 0.001 0.000 0.220 385 G HA3 -0.279 3.682 3.960 0.001 0.000 0.220 385 G C -0.870 173.652 174.900 -0.629 0.000 1.189 385 G CA 1.237 45.777 45.100 -0.934 0.000 0.777 385 G HN 0.294 nan 8.290 nan 0.000 0.602 386 P HA 0.004 nan 4.420 nan 0.000 0.219 386 P C 1.654 178.773 177.300 -0.302 0.000 1.146 386 P CA 1.830 64.806 63.100 -0.205 0.000 0.808 386 P CB -0.093 31.579 31.700 -0.045 0.000 0.779 387 A N -1.605 120.981 122.820 -0.390 0.000 2.275 387 A HA 0.061 4.382 4.320 0.001 0.000 0.212 387 A C 1.874 179.032 177.584 -0.710 0.000 1.201 387 A CA 0.819 52.447 52.037 -0.682 0.000 0.843 387 A CB -0.394 18.426 19.000 -0.300 0.000 0.873 387 A HN 0.030 nan 8.150 nan 0.000 0.492 388 E N -0.827 118.982 120.200 -0.651 0.000 2.367 388 E HA 0.104 4.455 4.350 0.001 0.000 0.204 388 E C -0.357 175.895 176.600 -0.581 0.000 0.840 388 E CA 0.529 56.620 56.400 -0.514 0.000 1.051 388 E CB 0.608 30.146 29.700 -0.270 0.000 1.051 388 E HN 0.431 nan 8.360 nan 0.000 0.509 389 D N -0.679 119.341 120.400 -0.632 0.000 2.552 389 D HA 0.149 4.790 4.640 0.001 0.000 0.285 389 D C -0.196 175.933 176.300 -0.285 0.000 1.206 389 D CA -0.173 53.608 54.000 -0.365 0.000 0.826 389 D CB -0.342 40.389 40.800 -0.115 0.000 1.179 389 D HN -0.052 nan 8.370 nan 0.000 0.508 390 F N 1.445 121.369 119.950 -0.044 0.000 2.192 390 F HA -0.151 4.377 4.527 0.001 0.000 0.301 390 F C 2.563 178.366 175.800 0.005 0.000 1.079 390 F CA 0.881 58.872 58.000 -0.015 0.000 1.303 390 F CB -0.284 38.722 39.000 0.010 0.000 1.024 390 F HN 0.417 nan 8.300 nan 0.000 0.494 391 A N 0.061 122.981 122.820 0.167 0.000 2.186 391 A HA -0.179 4.142 4.320 0.001 0.000 0.219 391 A C 1.187 178.826 177.584 0.092 0.000 1.159 391 A CA 1.877 53.987 52.037 0.120 0.000 0.680 391 A CB -0.821 18.233 19.000 0.091 0.000 0.787 391 A HN 0.598 nan 8.150 nan 0.000 0.467 392 N N -2.271 116.475 118.700 0.076 0.000 2.167 392 N HA 0.090 4.831 4.740 0.001 0.000 0.234 392 N C 1.001 176.550 175.510 0.065 0.000 1.312 392 N CA 0.086 53.179 53.050 0.072 0.000 0.861 392 N CB 0.164 38.699 38.487 0.080 0.000 1.217 392 N HN 0.476 nan 8.380 nan 0.000 0.504 393 Q N 1.340 121.183 119.800 0.071 0.000 2.268 393 Q HA -0.244 4.096 4.340 0.001 0.000 0.210 393 Q C 1.620 177.688 176.000 0.114 0.000 0.988 393 Q CA 1.531 57.378 55.803 0.074 0.000 0.883 393 Q CB 0.190 29.008 28.738 0.134 0.000 0.911 393 Q HN 0.452 nan 8.270 nan 0.000 0.430 394 E N -0.558 119.724 120.200 0.135 0.000 1.998 394 E HA -0.187 4.164 4.350 0.001 0.000 0.196 394 E C 1.699 178.391 176.600 0.153 0.000 1.003 394 E CA 1.029 57.535 56.400 0.177 0.000 0.829 394 E CB -0.211 29.581 29.700 0.152 0.000 0.777 394 E HN 0.443 nan 8.360 nan 0.000 0.460 395 A N 0.869 123.760 122.820 0.118 0.000 2.178 395 A HA -0.117 4.203 4.320 0.001 0.000 0.218 395 A C 2.025 179.672 177.584 0.105 0.000 1.157 395 A CA 0.761 52.860 52.037 0.104 0.000 0.689 395 A CB -0.515 18.536 19.000 0.085 0.000 0.787 395 A HN 0.293 nan 8.150 nan 0.000 0.465 396 I N -0.790 119.840 120.570 0.100 0.000 2.206 396 I HA -0.185 3.986 4.170 0.001 0.000 0.239 396 I C 2.995 179.167 176.117 0.092 0.000 1.078 396 I CA 1.023 62.385 61.300 0.103 0.000 1.367 396 I CB -0.650 37.364 38.000 0.024 0.000 1.078 396 I HN 0.346 nan 8.210 nan 0.000 0.413 397 A N 1.148 124.010 122.820 0.070 0.000 1.948 397 A HA -0.255 4.065 4.320 0.001 0.000 0.220 397 A C 2.264 179.801 177.584 -0.078 0.000 1.177 397 A CA 1.809 53.858 52.037 0.020 0.000 0.636 397 A CB -0.565 18.462 19.000 0.046 0.000 0.815 397 A HN 0.364 nan 8.150 nan 0.000 0.449 398 K N -0.511 119.872 120.400 -0.029 0.000 2.032 398 K HA -0.087 4.234 4.320 0.001 0.000 0.209 398 K C 1.781 178.352 176.600 -0.048 0.000 1.048 398 K CA 1.507 57.765 56.287 -0.048 0.000 0.927 398 K CB -0.415 32.122 32.500 0.062 0.000 0.712 398 K HN 0.474 nan 8.250 nan 0.000 0.441 399 L N 1.275 122.520 121.223 0.035 0.000 2.265 399 L HA -0.086 4.255 4.340 0.001 0.000 0.215 399 L C 1.073 177.996 176.870 0.088 0.000 1.117 399 L CA 0.188 55.109 54.840 0.135 0.000 0.782 399 L CB -0.301 41.919 42.059 0.269 0.000 0.914 399 L HN 0.159 nan 8.230 nan 0.000 0.441 400 L N 0.270 121.459 121.223 -0.057 0.000 2.492 400 L HA 0.014 4.354 4.340 0.001 0.000 0.280 400 L C 0.213 176.482 176.870 -1.002 0.000 1.240 400 L CA 0.480 55.080 54.840 -0.400 0.000 0.831 400 L CB 0.139 42.037 42.059 -0.269 0.000 1.100 400 L HN 0.156 nan 8.230 nan 0.000 0.505 401 R N 1.786 121.136 120.500 -1.916 0.000 2.668 401 R HA 0.599 4.940 4.340 0.001 0.000 0.272 401 R C -1.502 174.015 176.300 -1.305 0.000 1.019 401 R CA -0.778 54.383 56.100 -1.565 0.000 0.894 401 R CB 1.864 31.061 30.300 -1.839 0.000 1.228 401 R HN 0.349 nan 8.270 nan 0.000 0.460 402 F N -0.453 119.382 119.950 -0.191 0.000 2.664 402 F HA 0.740 5.268 4.527 0.001 0.000 0.317 402 F C 0.010 175.857 175.800 0.078 0.000 1.108 402 F CA -1.209 56.804 58.000 0.022 0.000 0.957 402 F CB 1.926 40.948 39.000 0.036 0.000 1.365 402 F HN 0.533 nan 8.300 nan 0.000 0.475 403 A N 0.930 123.971 122.820 0.368 0.000 2.312 403 A HA 0.837 5.158 4.320 0.001 0.000 0.326 403 A C -0.486 177.243 177.584 0.241 0.000 1.172 403 A CA -0.117 52.101 52.037 0.301 0.000 0.821 403 A CB 0.960 20.192 19.000 0.386 0.000 1.166 403 A HN 0.884 nan 8.150 nan 0.000 0.493 404 S N -0.311 115.513 115.700 0.206 0.000 2.705 404 S HA 0.558 5.028 4.470 0.001 0.000 0.280 404 S C 0.988 175.666 174.600 0.130 0.000 1.174 404 S CA 0.234 58.527 58.200 0.156 0.000 0.823 404 S CB 0.504 63.824 63.200 0.199 0.000 1.162 404 S HN 1.391 nan 8.310 nan 0.000 0.487 405 T N -1.328 113.275 114.554 0.083 0.000 2.720 405 T HA -0.190 4.161 4.350 0.001 0.000 0.268 405 T C 1.129 175.936 174.700 0.178 0.000 1.037 405 T CA 1.788 63.932 62.100 0.073 0.000 1.144 405 T CB -1.287 67.579 68.868 -0.003 0.000 0.864 405 T HN 0.783 nan 8.240 nan 0.000 0.444 406 H N 1.802 120.920 119.070 0.080 0.000 2.682 406 H HA 0.249 4.806 4.556 0.001 0.000 0.293 406 H C -0.064 175.313 175.328 0.081 0.000 1.080 406 H CA -0.423 55.665 56.048 0.066 0.000 1.189 406 H CB -0.128 29.662 29.762 0.047 0.000 1.311 406 H HN 0.413 nan 8.280 nan 0.000 0.599 407 T N -0.497 114.186 114.554 0.216 0.000 2.865 407 T HA 0.075 4.425 4.350 0.001 0.000 0.294 407 T C 0.048 174.861 174.700 0.188 0.000 1.119 407 T CA -0.982 61.223 62.100 0.175 0.000 1.007 407 T CB 2.070 71.043 68.868 0.175 0.000 1.225 407 T HN 0.315 nan 8.240 nan 0.000 0.515 408 D N -0.652 119.853 120.400 0.175 0.000 2.692 408 D HA 0.127 4.768 4.640 0.001 0.000 0.290 408 D C -0.122 176.288 176.300 0.183 0.000 1.455 408 D CA -0.412 53.714 54.000 0.209 0.000 0.796 408 D CB -0.146 40.742 40.800 0.148 0.000 1.131 408 D HN 0.437 nan 8.370 nan 0.000 0.467 409 S N -1.051 114.741 115.700 0.153 0.000 2.525 409 S HA 0.338 4.809 4.470 0.001 0.000 0.290 409 S C 1.170 175.717 174.600 -0.088 0.000 1.152 409 S CA -0.273 57.944 58.200 0.027 0.000 1.072 409 S CB 2.109 65.327 63.200 0.029 0.000 1.027 409 S HN 0.008 nan 8.310 nan 0.000 0.500 410 S N 2.373 117.800 115.700 -0.456 0.000 2.392 410 S HA -0.095 4.376 4.470 0.001 0.000 0.232 410 S C 1.126 175.606 174.600 -0.199 0.000 1.041 410 S CA 1.037 58.732 58.200 -0.841 0.000 1.026 410 S CB -1.114 61.736 63.200 -0.583 0.000 0.845 410 S HN 1.224 nan 8.310 nan 0.000 0.465 411 A N 1.503 124.288 122.820 -0.059 0.000 2.507 411 A HA 0.339 4.660 4.320 0.001 0.000 0.235 411 A C 0.135 177.799 177.584 0.133 0.000 1.070 411 A CA -0.166 51.900 52.037 0.048 0.000 0.768 411 A CB 0.047 19.071 19.000 0.040 0.000 1.011 411 A HN 0.726 nan 8.150 nan 0.000 0.502 412 Q N 0.325 120.221 119.800 0.160 0.000 2.331 412 Q HA 0.579 4.920 4.340 0.001 0.000 0.267 412 Q C -0.267 175.766 176.000 0.054 0.000 1.006 412 Q CA -0.182 55.719 55.803 0.163 0.000 0.818 412 Q CB 1.167 30.047 28.738 0.236 0.000 1.276 412 Q HN 0.714 nan 8.270 nan 0.000 0.450 413 T N -2.760 111.817 114.554 0.039 0.000 3.186 413 T HA 0.161 4.512 4.350 0.001 0.000 0.292 413 T C 0.098 174.799 174.700 0.001 0.000 0.915 413 T CA -0.135 61.965 62.100 -0.001 0.000 0.902 413 T CB 0.286 69.184 68.868 0.050 0.000 1.192 413 T HN 0.323 nan 8.240 nan 0.000 0.563 414 V N 3.200 123.138 119.914 0.040 0.000 2.405 414 V HA 0.492 4.613 4.120 0.001 0.000 0.264 414 V C 0.790 176.920 176.094 0.060 0.000 1.048 414 V CA -0.426 61.936 62.300 0.103 0.000 0.966 414 V CB 0.737 32.687 31.823 0.212 0.000 1.015 414 V HN 0.589 nan 8.190 nan 0.000 0.477 415 S N 4.716 120.439 115.700 0.038 0.000 2.576 415 S HA 0.253 4.724 4.470 0.001 0.000 0.276 415 S C 1.234 175.894 174.600 0.100 0.000 1.339 415 S CA -0.579 57.626 58.200 0.009 0.000 1.039 415 S CB 0.593 63.798 63.200 0.008 0.000 0.902 415 S HN 0.643 nan 8.310 nan 0.000 0.516 416 L N 3.139 124.374 121.223 0.019 0.000 2.083 416 L HA -0.085 4.256 4.340 0.001 0.000 0.209 416 L C 2.506 179.494 176.870 0.197 0.000 1.083 416 L CA 1.331 56.164 54.840 -0.012 0.000 0.752 416 L CB -0.639 41.086 42.059 -0.558 0.000 0.899 416 L HN 0.781 nan 8.230 nan 0.000 0.433 417 E N 0.224 120.543 120.200 0.197 0.000 2.049 417 E HA -0.259 4.092 4.350 0.001 0.000 0.198 417 E C 1.593 178.324 176.600 0.219 0.000 1.007 417 E CA 1.520 58.092 56.400 0.288 0.000 0.809 417 E CB -0.375 29.441 29.700 0.192 0.000 0.749 417 E HN 0.513 nan 8.360 nan 0.000 0.450 418 D N -0.108 120.392 120.400 0.166 0.000 2.265 418 D HA -0.150 4.491 4.640 0.001 0.000 0.208 418 D C 1.626 178.031 176.300 0.175 0.000 0.977 418 D CA 0.754 54.840 54.000 0.142 0.000 0.871 418 D CB -0.329 40.542 40.800 0.119 0.000 0.925 418 D HN 0.274 nan 8.370 nan 0.000 0.485 419 Y N 0.970 121.331 120.300 0.103 0.000 2.138 419 Y HA -0.160 4.391 4.550 0.001 0.000 0.286 419 Y C 2.304 178.253 175.900 0.082 0.000 1.115 419 Y CA 1.086 59.239 58.100 0.089 0.000 1.105 419 Y CB -0.412 38.096 38.460 0.080 0.000 1.004 419 Y HN -0.226 nan 8.280 nan 0.000 0.494 420 V N -0.222 119.902 119.914 0.350 0.000 2.392 420 V HA -0.327 3.794 4.120 0.001 0.000 0.249 420 V C 2.640 178.778 176.094 0.073 0.000 1.059 420 V CA 2.070 64.490 62.300 0.200 0.000 1.051 420 V CB -1.132 30.827 31.823 0.227 0.000 0.658 420 V HN 0.572 nan 8.190 nan 0.000 0.455 421 S N 1.003 116.758 115.700 0.092 0.000 2.368 421 S HA -0.270 4.201 4.470 0.001 0.000 0.226 421 S C 1.880 176.490 174.600 0.016 0.000 1.044 421 S CA 2.192 60.424 58.200 0.053 0.000 1.062 421 S CB -0.272 62.967 63.200 0.066 0.000 0.931 421 S HN 0.805 nan 8.310 nan 0.000 0.440 422 R N -0.023 120.474 120.500 -0.005 0.000 2.480 422 R HA 0.360 4.701 4.340 0.001 0.000 0.277 422 R C 0.263 176.514 176.300 -0.081 0.000 1.008 422 R CA -0.210 55.880 56.100 -0.017 0.000 1.090 422 R CB -0.312 30.004 30.300 0.027 0.000 1.234 422 R HN 0.350 nan 8.270 nan 0.000 0.549 423 M N 1.794 121.322 119.600 -0.121 0.000 2.250 423 M HA 0.106 4.586 4.480 0.001 0.000 0.325 423 M C 0.080 176.349 176.300 -0.052 0.000 1.084 423 M CA 0.806 56.027 55.300 -0.132 0.000 1.161 423 M CB 0.746 33.291 32.600 -0.091 0.000 1.481 423 M HN 0.071 nan 8.290 nan 0.000 0.449 424 K N 1.353 121.732 120.400 -0.036 0.000 2.095 424 K HA 0.299 4.619 4.320 0.001 0.000 0.252 424 K C -0.626 175.974 176.600 -0.001 0.000 0.977 424 K CA -0.782 55.500 56.287 -0.009 0.000 0.900 424 K CB 0.817 33.318 32.500 0.001 0.000 1.060 424 K HN 0.538 nan 8.250 nan 0.000 0.449 425 E N 0.230 120.431 120.200 0.002 0.000 2.480 425 E HA -0.044 4.306 4.350 0.001 0.000 0.258 425 E C 0.775 177.380 176.600 0.008 0.000 0.984 425 E CA 0.872 57.274 56.400 0.003 0.000 0.930 425 E CB 0.223 29.925 29.700 0.003 0.000 0.936 425 E HN 0.877 nan 8.360 nan 0.000 0.466 426 G N 3.147 111.952 108.800 0.008 0.000 2.268 426 G HA2 -0.365 3.595 3.960 0.001 0.000 0.240 426 G HA3 -0.365 3.595 3.960 0.001 0.000 0.240 426 G C 0.376 175.290 174.900 0.022 0.000 1.010 426 G CA 0.218 45.325 45.100 0.013 0.000 0.618 426 G HN 0.572 nan 8.290 nan 0.000 0.516 427 Q N 1.413 121.230 119.800 0.027 0.000 2.262 427 Q HA 0.404 4.745 4.340 0.001 0.000 0.272 427 Q C 1.486 177.500 176.000 0.024 0.000 1.076 427 Q CA 0.915 56.748 55.803 0.049 0.000 0.905 427 Q CB 0.285 29.055 28.738 0.055 0.000 1.182 427 Q HN 0.772 nan 8.270 nan 0.000 0.390 428 E N 3.098 123.308 120.200 0.016 0.000 2.340 428 E HA 0.133 4.484 4.350 0.001 0.000 0.198 428 E C -0.257 176.291 176.600 -0.087 0.000 0.961 428 E CA 0.055 56.441 56.400 -0.025 0.000 0.905 428 E CB 0.459 30.149 29.700 -0.015 0.000 0.884 428 E HN 0.291 nan 8.360 nan 0.000 0.491 429 K N 0.784 121.086 120.400 -0.162 0.000 2.139 429 K HA 0.516 4.837 4.320 0.001 0.000 0.243 429 K C -0.711 175.595 176.600 -0.490 0.000 0.983 429 K CA -0.776 55.279 56.287 -0.387 0.000 0.890 429 K CB 1.818 33.969 32.500 -0.581 0.000 1.090 429 K HN -0.020 nan 8.250 nan 0.000 0.445 430 I N 2.678 122.914 120.570 -0.557 0.000 2.355 430 I HA 0.236 4.406 4.170 0.001 0.000 0.288 430 I C -0.980 174.884 176.117 -0.423 0.000 0.999 430 I CA -0.680 60.322 61.300 -0.497 0.000 1.163 430 I CB 0.591 38.035 38.000 -0.928 0.000 1.316 430 I HN 0.415 nan 8.210 nan 0.000 0.454 431 Y N 6.293 126.639 120.300 0.075 0.000 2.334 431 Y HA 0.520 5.071 4.550 0.001 0.000 0.328 431 Y C -0.228 175.744 175.900 0.121 0.000 1.130 431 Y CA -0.628 57.521 58.100 0.080 0.000 1.163 431 Y CB 1.241 39.734 38.460 0.055 0.000 1.207 431 Y HN 0.472 nan 8.280 nan 0.000 0.471 432 Y N 1.047 121.430 120.300 0.138 0.000 2.562 432 Y HA 0.758 5.309 4.550 0.001 0.000 0.345 432 Y C -1.923 173.996 175.900 0.032 0.000 1.045 432 Y CA -1.791 56.331 58.100 0.038 0.000 1.028 432 Y CB 1.137 39.577 38.460 -0.034 0.000 1.297 432 Y HN 0.494 nan 8.280 nan 0.000 0.463 433 I N 2.024 122.631 120.570 0.062 0.000 2.562 433 I HA 0.646 4.817 4.170 0.001 0.000 0.301 433 I C -0.657 175.536 176.117 0.128 0.000 1.003 433 I CA -0.404 60.886 61.300 -0.018 0.000 1.127 433 I CB 2.250 40.238 38.000 -0.019 0.000 1.304 433 I HN 0.858 nan 8.210 nan 0.000 0.446 434 T N 6.620 121.225 114.554 0.085 0.000 2.934 434 T HA 0.885 5.236 4.350 0.001 0.000 0.328 434 T C -0.854 173.889 174.700 0.073 0.000 1.068 434 T CA -0.108 62.073 62.100 0.135 0.000 1.018 434 T CB -0.078 68.912 68.868 0.203 0.000 1.009 434 T HN 0.877 nan 8.240 nan 0.000 0.471 435 A N 3.368 126.228 122.820 0.067 0.000 2.387 435 A HA 0.710 5.031 4.320 0.001 0.000 0.298 435 A C 0.615 178.234 177.584 0.059 0.000 1.165 435 A CA -0.694 51.374 52.037 0.051 0.000 0.814 435 A CB 1.029 20.050 19.000 0.035 0.000 1.357 435 A HN 0.682 nan 8.150 nan 0.000 0.443 436 D N 0.400 120.830 120.400 0.050 0.000 2.348 436 D HA 0.102 4.743 4.640 0.001 0.000 0.216 436 D C 0.440 176.773 176.300 0.055 0.000 0.970 436 D CA 1.754 55.783 54.000 0.048 0.000 0.889 436 D CB 0.011 40.834 40.800 0.037 0.000 0.912 436 D HN 0.643 nan 8.370 nan 0.000 0.524 437 S N -2.019 113.722 115.700 0.069 0.000 2.565 437 S HA 0.144 4.615 4.470 0.001 0.000 0.274 437 S C 0.256 174.935 174.600 0.132 0.000 1.144 437 S CA -0.963 57.297 58.200 0.099 0.000 0.849 437 S CB 0.577 63.827 63.200 0.084 0.000 1.103 437 S HN -0.010 nan 8.310 nan 0.000 0.455 438 Y N 2.597 122.927 120.300 0.051 0.000 2.114 438 Y HA -0.140 4.411 4.550 0.001 0.000 0.282 438 Y C 2.468 178.400 175.900 0.054 0.000 1.165 438 Y CA 2.978 61.114 58.100 0.062 0.000 1.148 438 Y CB -0.864 37.633 38.460 0.061 0.000 0.972 438 Y HN 1.006 nan 8.280 nan 0.000 0.504 439 A N 0.891 123.885 122.820 0.291 0.000 1.870 439 A HA -0.374 3.946 4.320 0.001 0.000 0.219 439 A C 2.474 180.092 177.584 0.056 0.000 1.286 439 A CA 3.101 55.241 52.037 0.172 0.000 0.682 439 A CB -1.887 17.188 19.000 0.125 0.000 0.844 439 A HN 0.758 nan 8.150 nan 0.000 0.460 440 A N -0.791 122.054 122.820 0.043 0.000 1.927 440 A HA 0.029 4.350 4.320 0.001 0.000 0.220 440 A C 2.568 180.147 177.584 -0.007 0.000 1.185 440 A CA 3.051 55.099 52.037 0.018 0.000 0.639 440 A CB -1.322 17.692 19.000 0.024 0.000 0.820 440 A HN 1.461 nan 8.150 nan 0.000 0.451 441 A N -0.220 122.578 122.820 -0.038 0.000 1.849 441 A HA -0.259 4.062 4.320 0.001 0.000 0.217 441 A C 2.154 179.668 177.584 -0.116 0.000 1.202 441 A CA 2.331 54.319 52.037 -0.082 0.000 0.629 441 A CB -0.698 18.217 19.000 -0.142 0.000 0.834 441 A HN 0.565 nan 8.150 nan 0.000 0.447 442 K N -0.026 120.242 120.400 -0.219 0.000 2.160 442 K HA -0.147 4.174 4.320 0.001 0.000 0.206 442 K C 0.900 177.471 176.600 -0.048 0.000 1.047 442 K CA 1.689 57.878 56.287 -0.164 0.000 0.930 442 K CB -0.177 32.225 32.500 -0.163 0.000 0.720 442 K HN 0.594 nan 8.250 nan 0.000 0.450 443 S N -0.280 115.406 115.700 -0.024 0.000 2.499 443 S HA 0.224 4.695 4.470 0.001 0.000 0.238 443 S C -0.463 174.133 174.600 -0.006 0.000 1.205 443 S CA -0.916 57.282 58.200 -0.003 0.000 1.203 443 S CB 0.923 64.132 63.200 0.013 0.000 0.954 443 S HN 0.116 nan 8.310 nan 0.000 0.484 444 S N 1.727 117.427 115.700 0.001 0.000 2.617 444 S HA 0.556 5.026 4.470 0.001 0.000 0.283 444 S C -1.691 172.897 174.600 -0.021 0.000 1.189 444 S CA -1.686 56.526 58.200 0.020 0.000 1.036 444 S CB 0.983 64.241 63.200 0.098 0.000 1.014 444 S HN 0.208 nan 8.310 nan 0.000 0.522 445 P HA -0.124 nan 4.420 nan 0.000 0.215 445 P C 1.016 178.205 177.300 -0.185 0.000 1.157 445 P CA 1.331 64.317 63.100 -0.190 0.000 0.868 445 P CB -0.111 31.403 31.700 -0.310 0.000 0.788 446 H N -1.100 117.941 119.070 -0.049 0.000 2.518 446 H HA -0.094 4.463 4.556 0.001 0.000 0.294 446 H C 1.926 177.215 175.328 -0.066 0.000 1.083 446 H CA 0.724 56.739 56.048 -0.056 0.000 1.264 446 H CB -0.652 29.074 29.762 -0.059 0.000 1.370 446 H HN 0.138 nan 8.280 nan 0.000 0.560 447 L N 1.074 122.322 121.223 0.042 0.000 2.095 447 L HA -0.105 4.236 4.340 0.001 0.000 0.204 447 L C 2.163 179.021 176.870 -0.019 0.000 1.080 447 L CA 1.237 56.079 54.840 0.004 0.000 0.759 447 L CB -0.299 41.760 42.059 0.001 0.000 0.914 447 L HN 0.264 nan 8.230 nan 0.000 0.439 448 E N -0.223 119.961 120.200 -0.026 0.000 2.153 448 E HA -0.261 4.090 4.350 0.001 0.000 0.194 448 E C 2.005 178.592 176.600 -0.020 0.000 0.988 448 E CA 0.997 57.384 56.400 -0.023 0.000 0.811 448 E CB -0.092 29.589 29.700 -0.032 0.000 0.746 448 E HN 0.299 nan 8.360 nan 0.000 0.466 449 L N 1.074 122.279 121.223 -0.029 0.000 1.988 449 L HA -0.155 4.186 4.340 0.001 0.000 0.207 449 L C 2.148 178.994 176.870 -0.040 0.000 1.071 449 L CA 1.490 56.313 54.840 -0.028 0.000 0.744 449 L CB -0.688 41.352 42.059 -0.032 0.000 0.893 449 L HN 0.047 nan 8.230 nan 0.000 0.433 450 L N 0.323 121.505 121.223 -0.068 0.000 2.043 450 L HA -0.228 4.112 4.340 0.001 0.000 0.212 450 L C 2.811 179.651 176.870 -0.049 0.000 1.075 450 L CA 1.979 56.764 54.840 -0.090 0.000 0.752 450 L CB -1.547 40.426 42.059 -0.144 0.000 0.891 450 L HN 0.534 nan 8.230 nan 0.000 0.432 451 R N 0.465 120.948 120.500 -0.028 0.000 2.148 451 R HA -0.174 4.166 4.340 0.001 0.000 0.227 451 R C 2.228 178.540 176.300 0.020 0.000 1.103 451 R CA 1.241 57.342 56.100 0.002 0.000 0.983 451 R CB 0.047 30.352 30.300 0.010 0.000 0.874 451 R HN 0.322 nan 8.270 nan 0.000 0.451 452 K N 0.340 120.744 120.400 0.007 0.000 2.044 452 K HA -0.045 4.275 4.320 0.001 0.000 0.204 452 K C 1.781 178.391 176.600 0.017 0.000 1.049 452 K CA 0.739 57.035 56.287 0.014 0.000 0.945 452 K CB 0.130 32.634 32.500 0.007 0.000 0.724 452 K HN -0.053 nan 8.250 nan 0.000 0.440 453 K N -0.437 119.966 120.400 0.004 0.000 2.362 453 K HA -0.059 4.262 4.320 0.001 0.000 0.200 453 K C 1.069 177.683 176.600 0.023 0.000 1.046 453 K CA 1.155 57.446 56.287 0.006 0.000 0.952 453 K CB 0.307 32.800 32.500 -0.011 0.000 0.753 453 K HN 0.572 nan 8.250 nan 0.000 0.466 454 G N 1.075 109.896 108.800 0.034 0.000 2.179 454 G HA2 -0.213 3.748 3.960 0.001 0.000 0.220 454 G HA3 -0.213 3.748 3.960 0.001 0.000 0.220 454 G C 0.271 175.178 174.900 0.012 0.000 0.990 454 G CA -0.204 44.953 45.100 0.095 0.000 0.646 454 G HN 0.219 nan 8.290 nan 0.000 0.517 455 I N 1.535 122.076 120.570 -0.049 0.000 2.648 455 I HA 0.148 4.319 4.170 0.001 0.000 0.284 455 I C 0.957 176.969 176.117 -0.175 0.000 1.153 455 I CA 0.032 61.276 61.300 -0.094 0.000 1.426 455 I CB 0.980 38.946 38.000 -0.057 0.000 1.381 455 I HN 0.288 nan 8.210 nan 0.000 0.571 456 E N 5.831 125.875 120.200 -0.259 0.000 2.257 456 E HA 0.286 4.637 4.350 0.001 0.000 0.278 456 E C -1.266 175.397 176.600 0.104 0.000 1.049 456 E CA -0.396 55.837 56.400 -0.277 0.000 0.876 456 E CB 0.815 30.238 29.700 -0.462 0.000 1.035 456 E HN 0.331 nan 8.360 nan 0.000 0.419 457 V N 5.587 125.563 119.914 0.103 0.000 2.715 457 V HA 0.343 4.464 4.120 0.001 0.000 0.310 457 V C 0.064 176.262 176.094 0.173 0.000 1.054 457 V CA -0.923 61.489 62.300 0.187 0.000 0.928 457 V CB 1.660 33.529 31.823 0.077 0.000 1.007 457 V HN 0.671 nan 8.190 nan 0.000 0.437 458 L N 4.156 125.477 121.223 0.163 0.000 2.307 458 L HA 0.521 4.862 4.340 0.001 0.000 0.282 458 L C -0.682 176.237 176.870 0.082 0.000 1.051 458 L CA -0.490 54.401 54.840 0.084 0.000 0.804 458 L CB 1.435 43.448 42.059 -0.076 0.000 1.197 458 L HN 0.463 nan 8.230 nan 0.000 0.431 459 L N 5.659 126.926 121.223 0.074 0.000 2.321 459 L HA 0.404 4.745 4.340 0.001 0.000 0.272 459 L C -0.556 176.377 176.870 0.105 0.000 1.050 459 L CA -0.177 54.687 54.840 0.040 0.000 0.893 459 L CB 0.616 42.634 42.059 -0.068 0.000 1.272 459 L HN 0.420 nan 8.230 nan 0.000 0.435 460 L N 2.496 123.790 121.223 0.120 0.000 2.257 460 L HA 0.323 4.663 4.340 0.001 0.000 0.290 460 L C 0.843 177.794 176.870 0.135 0.000 1.044 460 L CA -0.018 54.916 54.840 0.156 0.000 0.810 460 L CB 1.557 43.698 42.059 0.136 0.000 1.193 460 L HN 0.629 nan 8.230 nan 0.000 0.425 461 S N -0.857 114.933 115.700 0.149 0.000 2.632 461 S HA 0.199 4.669 4.470 0.001 0.000 0.237 461 S C 0.189 174.849 174.600 0.100 0.000 1.037 461 S CA -0.618 57.656 58.200 0.124 0.000 1.009 461 S CB 0.498 63.795 63.200 0.161 0.000 0.974 461 S HN 0.498 nan 8.310 nan 0.000 0.544 462 D N 1.794 122.255 120.400 0.102 0.000 2.175 462 D HA 0.350 4.991 4.640 0.001 0.000 0.248 462 D C 0.747 177.078 176.300 0.051 0.000 1.047 462 D CA -0.409 53.623 54.000 0.052 0.000 0.883 462 D CB 1.667 42.491 40.800 0.039 0.000 1.180 462 D HN -0.016 nan 8.370 nan 0.000 0.438 463 R N 1.585 122.092 120.500 0.012 0.000 2.120 463 R HA -0.026 4.314 4.340 0.001 0.000 0.234 463 R C 1.974 178.313 176.300 0.065 0.000 1.123 463 R CA 0.722 56.840 56.100 0.031 0.000 0.975 463 R CB -0.283 30.011 30.300 -0.011 0.000 0.866 463 R HN 0.557 nan 8.270 nan 0.000 0.446 464 I N 0.296 120.881 120.570 0.026 0.000 2.830 464 I HA -0.219 3.951 4.170 0.001 0.000 0.263 464 I C 0.485 176.705 176.117 0.172 0.000 1.230 464 I CA 1.245 62.580 61.300 0.058 0.000 1.480 464 I CB -0.088 37.895 38.000 -0.028 0.000 1.095 464 I HN 0.236 nan 8.210 nan 0.000 0.455 465 D N 1.274 121.757 120.400 0.138 0.000 2.084 465 D HA -0.234 4.407 4.640 0.001 0.000 0.194 465 D C 1.808 178.181 176.300 0.122 0.000 0.990 465 D CA 1.477 55.556 54.000 0.132 0.000 0.826 465 D CB -0.396 40.477 40.800 0.123 0.000 0.971 465 D HN 0.517 nan 8.370 nan 0.000 0.453 466 E N -0.497 119.790 120.200 0.145 0.000 2.333 466 E HA -0.196 4.154 4.350 0.001 0.000 0.200 466 E C 1.722 178.419 176.600 0.163 0.000 1.010 466 E CA 0.593 57.078 56.400 0.142 0.000 0.841 466 E CB -0.086 29.702 29.700 0.146 0.000 0.757 466 E HN 0.407 nan 8.360 nan 0.000 0.508 467 W N 0.631 121.951 121.300 0.035 0.000 2.560 467 W HA 0.073 4.734 4.660 0.001 0.000 0.303 467 W C 2.410 178.990 176.519 0.102 0.000 1.151 467 W CA 0.838 58.225 57.345 0.070 0.000 1.426 467 W CB -0.272 29.226 29.460 0.065 0.000 1.135 467 W HN -0.078 nan 8.180 nan 0.000 0.522 468 M N -0.053 119.767 119.600 0.368 0.000 2.082 468 M HA -0.312 4.168 4.480 0.001 0.000 0.258 468 M C 1.798 178.151 176.300 0.089 0.000 1.069 468 M CA 1.963 57.411 55.300 0.248 0.000 1.102 468 M CB -0.412 32.278 32.600 0.150 0.000 1.336 468 M HN -0.063 nan 8.290 nan 0.000 0.404 469 M N 0.950 120.501 119.600 -0.083 0.000 2.144 469 M HA -0.214 4.266 4.480 0.001 0.000 0.260 469 M C 1.611 177.807 176.300 -0.174 0.000 1.067 469 M CA 1.623 56.752 55.300 -0.285 0.000 1.095 469 M CB -2.177 30.156 32.600 -0.445 0.000 1.365 469 M HN 0.394 nan 8.290 nan 0.000 0.406 470 N N -0.535 118.086 118.700 -0.131 0.000 2.348 470 N HA -0.164 4.577 4.740 0.001 0.000 0.185 470 N C 1.506 176.820 175.510 -0.326 0.000 1.019 470 N CA 1.306 54.200 53.050 -0.259 0.000 0.880 470 N CB -0.234 37.992 38.487 -0.435 0.000 0.965 470 N HN 0.516 nan 8.380 nan 0.000 0.437 471 Y N 0.047 120.299 120.300 -0.080 0.000 2.472 471 Y HA 0.294 4.845 4.550 0.001 0.000 0.288 471 Y C 1.079 176.974 175.900 -0.008 0.000 1.154 471 Y CA -0.466 57.635 58.100 0.002 0.000 1.238 471 Y CB 0.142 38.650 38.460 0.081 0.000 1.287 471 Y HN -0.111 nan 8.280 nan 0.000 0.524 472 L N 2.897 124.175 121.223 0.091 0.000 2.600 472 L HA -0.020 4.321 4.340 0.001 0.000 0.278 472 L C 0.773 177.537 176.870 -0.177 0.000 1.139 472 L CA 0.497 55.297 54.840 -0.067 0.000 0.933 472 L CB 0.297 42.220 42.059 -0.226 0.000 1.266 472 L HN 0.462 nan 8.230 nan 0.000 0.471 473 T N 0.338 114.910 114.554 0.030 0.000 3.040 473 T HA 0.096 4.447 4.350 0.001 0.000 0.252 473 T C 0.457 175.393 174.700 0.394 0.000 1.064 473 T CA -0.118 62.053 62.100 0.118 0.000 1.110 473 T CB 0.460 69.384 68.868 0.094 0.000 0.921 473 T HN 0.613 nan 8.240 nan 0.000 0.480 474 E N -0.312 120.192 120.200 0.508 0.000 2.879 474 E HA 0.333 4.683 4.350 0.001 0.000 0.345 474 E C -2.182 174.662 176.600 0.407 0.000 0.955 474 E CA -0.707 55.944 56.400 0.419 0.000 0.801 474 E CB 0.830 30.641 29.700 0.186 0.000 1.324 474 E HN 0.156 nan 8.360 nan 0.000 0.417 475 F N 4.885 124.929 119.950 0.156 0.000 2.426 475 F HA 0.403 4.930 4.527 0.001 0.000 0.348 475 F C 0.256 176.066 175.800 0.017 0.000 1.124 475 F CA -0.449 57.622 58.000 0.118 0.000 1.008 475 F CB 1.256 40.356 39.000 0.166 0.000 1.139 475 F HN 0.698 nan 8.300 nan 0.000 0.452 476 D N 4.474 124.491 120.400 -0.640 0.000 2.772 476 D HA -0.169 4.472 4.640 0.001 0.000 0.233 476 D C 0.997 177.118 176.300 -0.297 0.000 1.143 476 D CA 1.907 55.525 54.000 -0.637 0.000 0.700 476 D CB -1.119 39.045 40.800 -1.061 0.000 1.076 476 D HN 1.377 nan 8.370 nan 0.000 0.430 477 G N -0.936 107.763 108.800 -0.168 0.000 2.195 477 G HA2 -0.284 3.677 3.960 0.001 0.000 0.246 477 G HA3 -0.284 3.677 3.960 0.001 0.000 0.246 477 G C -0.040 174.808 174.900 -0.087 0.000 0.984 477 G CA 0.406 45.445 45.100 -0.101 0.000 0.633 477 G HN 0.436 nan 8.290 nan 0.000 0.525 478 K N 1.683 122.015 120.400 -0.113 0.000 2.367 478 K HA 0.478 4.799 4.320 0.001 0.000 0.263 478 K C -2.644 173.845 176.600 -0.185 0.000 1.000 478 K CA -2.214 53.994 56.287 -0.133 0.000 0.891 478 K CB 2.591 35.011 32.500 -0.134 0.000 1.117 478 K HN 0.236 nan 8.250 nan 0.000 0.443 479 P HA 0.180 nan 4.420 nan 0.000 0.272 479 P C -0.620 176.576 177.300 -0.174 0.000 1.230 479 P CA -0.337 62.728 63.100 -0.060 0.000 0.788 479 P CB 0.445 32.141 31.700 -0.006 0.000 0.949 480 F N 0.777 120.712 119.950 -0.026 0.000 2.404 480 F HA 0.410 4.937 4.527 0.001 0.000 0.345 480 F C 1.160 176.989 175.800 0.048 0.000 1.110 480 F CA 0.382 58.377 58.000 -0.007 0.000 1.130 480 F CB 1.223 40.222 39.000 -0.002 0.000 1.129 480 F HN 0.270 nan 8.300 nan 0.000 0.500 481 Q N 1.771 121.660 119.800 0.149 0.000 2.423 481 Q HA 0.604 4.944 4.340 0.001 0.000 0.278 481 Q C -1.155 174.856 176.000 0.019 0.000 1.097 481 Q CA -0.810 55.051 55.803 0.097 0.000 0.809 481 Q CB 2.191 30.931 28.738 0.003 0.000 1.391 481 Q HN 0.617 nan 8.270 nan 0.000 0.428 482 S N 1.215 116.809 115.700 -0.176 0.000 2.482 482 S HA 0.383 4.854 4.470 0.001 0.000 0.303 482 S C 0.875 175.327 174.600 -0.247 0.000 1.091 482 S CA -0.167 57.681 58.200 -0.586 0.000 1.057 482 S CB 1.188 63.856 63.200 -0.886 0.000 1.031 482 S HN 0.941 nan 8.310 nan 0.000 0.485 483 V N 1.230 121.006 119.914 -0.230 0.000 2.568 483 V HA -0.060 4.061 4.120 0.001 0.000 0.253 483 V C 1.830 177.792 176.094 -0.219 0.000 1.072 483 V CA 1.940 64.152 62.300 -0.147 0.000 1.084 483 V CB -1.451 30.311 31.823 -0.102 0.000 0.676 483 V HN 0.810 nan 8.190 nan 0.000 0.469 484 S N -0.066 115.402 115.700 -0.388 0.000 2.660 484 S HA 0.121 4.592 4.470 0.001 0.000 0.228 484 S C 0.768 175.218 174.600 -0.249 0.000 0.966 484 S CA 0.537 58.386 58.200 -0.586 0.000 0.940 484 S CB -0.507 62.405 63.200 -0.480 0.000 0.773 484 S HN 0.758 nan 8.310 nan 0.000 0.535 485 K N 1.647 121.968 120.400 -0.132 0.000 2.675 485 K HA 0.277 4.598 4.320 0.001 0.000 0.224 485 K C -1.092 175.511 176.600 0.005 0.000 1.003 485 K CA -0.279 55.984 56.287 -0.041 0.000 1.034 485 K CB 0.939 33.412 32.500 -0.045 0.000 1.218 485 K HN -0.126 nan 8.250 nan 0.000 0.507 486 V N 5.230 125.166 119.914 0.037 0.000 2.452 486 V HA -0.084 4.036 4.120 0.001 0.000 0.286 486 V C 0.418 176.536 176.094 0.041 0.000 0.995 486 V CA 0.337 62.663 62.300 0.045 0.000 1.116 486 V CB -0.280 31.578 31.823 0.058 0.000 0.954 486 V HN 0.755 nan 8.190 nan 0.000 0.473 487 D N 4.234 124.661 120.400 0.046 0.000 2.437 487 D HA 0.234 4.875 4.640 0.001 0.000 0.259 487 D C 0.448 176.777 176.300 0.048 0.000 1.118 487 D CA -1.028 53.003 54.000 0.052 0.000 1.017 487 D CB 1.135 41.982 40.800 0.078 0.000 1.120 487 D HN 0.554 nan 8.370 nan 0.000 0.541 488 E N -0.700 119.526 120.200 0.044 0.000 2.437 488 E HA 0.138 4.488 4.350 0.001 0.000 0.189 488 E C 0.841 177.468 176.600 0.044 0.000 1.054 488 E CA -0.108 56.316 56.400 0.040 0.000 0.874 488 E CB 0.234 29.953 29.700 0.032 0.000 1.011 488 E HN 0.241 nan 8.360 nan 0.000 0.474 489 S N 0.372 116.106 115.700 0.058 0.000 2.412 489 S HA 0.155 4.626 4.470 0.001 0.000 0.223 489 S C 1.555 176.193 174.600 0.064 0.000 1.048 489 S CA 0.187 58.428 58.200 0.067 0.000 0.954 489 S CB 0.051 63.309 63.200 0.096 0.000 0.840 489 S HN 0.226 nan 8.310 nan 0.000 0.503 490 L N 1.477 122.736 121.223 0.061 0.000 2.558 490 L HA 0.191 4.532 4.340 0.001 0.000 0.225 490 L C 2.262 179.147 176.870 0.025 0.000 1.128 490 L CA 0.479 55.332 54.840 0.023 0.000 0.868 490 L CB -0.260 41.779 42.059 -0.033 0.000 1.006 490 L HN 0.361 nan 8.230 nan 0.000 0.454 491 E N 1.589 121.812 120.200 0.038 0.000 2.265 491 E HA -0.210 4.141 4.350 0.001 0.000 0.196 491 E C 1.528 178.162 176.600 0.057 0.000 0.996 491 E CA 1.031 57.459 56.400 0.047 0.000 0.832 491 E CB 0.299 30.026 29.700 0.045 0.000 0.756 491 E HN 0.523 nan 8.360 nan 0.000 0.491 492 K N -0.616 119.808 120.400 0.040 0.000 2.402 492 K HA 0.194 4.515 4.320 0.001 0.000 0.204 492 K C 0.872 177.477 176.600 0.008 0.000 1.056 492 K CA -0.309 55.995 56.287 0.028 0.000 1.069 492 K CB 0.333 32.847 32.500 0.022 0.000 0.888 492 K HN 0.032 nan 8.250 nan 0.000 0.546 501 A N 2.862 125.660 122.820 -0.036 0.000 2.969 501 A HA 0.564 4.885 4.320 0.001 0.000 0.328 501 A C -0.169 177.397 177.584 -0.031 0.000 1.355 501 A CA -0.279 51.742 52.037 -0.027 0.000 1.018 501 A CB -0.803 18.190 19.000 -0.012 0.000 1.159 501 A HN 0.485 nan 8.150 nan 0.000 0.505 502 K N 1.482 121.853 120.400 -0.048 0.000 2.292 502 K HA 0.437 4.758 4.320 0.001 0.000 0.270 502 K C -0.206 176.378 176.600 -0.027 0.000 1.062 502 K CA -0.664 55.594 56.287 -0.049 0.000 0.916 502 K CB 1.941 34.382 32.500 -0.099 0.000 1.166 502 K HN 0.396 nan 8.250 nan 0.000 0.458 503 E N 3.009 123.202 120.200 -0.013 0.000 2.275 503 E HA 0.116 4.467 4.350 0.001 0.000 0.239 503 E C -0.086 176.513 176.600 -0.003 0.000 0.897 503 E CA 0.184 56.579 56.400 -0.008 0.000 1.044 503 E CB 0.131 29.829 29.700 -0.005 0.000 1.416 503 E HN 0.716 nan 8.360 nan 0.000 0.513 504 A N 1.591 124.412 122.820 0.002 0.000 2.450 504 A HA 0.240 4.561 4.320 0.001 0.000 0.255 504 A C -0.282 177.310 177.584 0.013 0.000 1.096 504 A CA 0.274 52.313 52.037 0.004 0.000 0.778 504 A CB 0.190 19.192 19.000 0.002 0.000 1.031 504 A HN 0.273 nan 8.150 nan 0.000 0.494 505 E N 0.887 121.095 120.200 0.013 0.000 2.369 505 E HA 0.739 5.089 4.350 0.001 0.000 0.270 505 E C 0.233 176.846 176.600 0.020 0.000 0.909 505 E CA -0.325 56.090 56.400 0.025 0.000 0.775 505 E CB 2.048 31.762 29.700 0.024 0.000 1.270 505 E HN 0.832 nan 8.360 nan 0.000 0.445 506 K N -0.009 120.407 120.400 0.028 0.000 1.833 506 K HA 0.873 5.194 4.320 0.001 0.000 0.253 506 K C -1.691 174.925 176.600 0.025 0.000 0.656 506 K CA 0.015 56.314 56.287 0.019 0.000 0.463 506 K CB 0.717 33.224 32.500 0.010 0.000 1.873 506 K HN 0.705 nan 8.250 nan 0.000 0.599 507 A N -1.140 121.692 122.820 0.020 0.000 2.513 507 A HA 0.815 5.135 4.320 0.001 0.000 0.296 507 A C -0.536 177.064 177.584 0.026 0.000 1.052 507 A CA 0.109 52.161 52.037 0.024 0.000 0.714 507 A CB 0.295 19.307 19.000 0.020 0.000 1.279 507 A HN 2.265 nan 8.150 nan 0.000 0.397 508 L N 0.395 121.644 121.223 0.042 0.000 2.343 508 L HA 1.049 5.390 4.340 0.001 0.000 0.275 508 L C 0.945 177.852 176.870 0.062 0.000 1.056 508 L CA 0.599 55.480 54.840 0.069 0.000 0.804 508 L CB 0.153 42.295 42.059 0.138 0.000 1.203 508 L HN 1.857 nan 8.230 nan 0.000 0.440 509 T N -0.274 114.317 114.554 0.062 0.000 3.525 509 T HA 0.291 4.642 4.350 0.001 0.000 0.286 509 T C -0.216 174.508 174.700 0.041 0.000 0.944 509 T CA 0.979 63.101 62.100 0.037 0.000 1.063 509 T CB -0.584 68.296 68.868 0.019 0.000 1.179 509 T HN 0.478 nan 8.240 nan 0.000 0.493 510 P HA -0.020 nan 4.420 nan 0.000 0.215 510 P C 1.230 178.580 177.300 0.084 0.000 1.153 510 P CA 0.631 63.752 63.100 0.035 0.000 0.853 510 P CB -0.110 31.596 31.700 0.009 0.000 0.788 511 F N 0.385 120.303 119.950 -0.053 0.000 2.031 511 F HA -0.140 4.387 4.527 0.001 0.000 0.295 511 F C 2.106 177.923 175.800 0.029 0.000 1.133 511 F CA 1.278 59.264 58.000 -0.024 0.000 1.188 511 F CB -1.138 37.855 39.000 -0.012 0.000 0.974 511 F HN -0.246 nan 8.300 nan 0.000 0.473 512 I N 0.248 120.727 120.570 -0.153 0.000 2.286 512 I HA -0.290 3.881 4.170 0.001 0.000 0.248 512 I C 1.776 177.800 176.117 -0.154 0.000 1.115 512 I CA 1.627 62.759 61.300 -0.280 0.000 1.392 512 I CB -0.582 37.333 38.000 -0.142 0.000 1.065 512 I HN 0.170 nan 8.210 nan 0.000 0.418 513 D N 0.171 120.533 120.400 -0.063 0.000 2.289 513 D HA -0.100 4.541 4.640 0.001 0.000 0.207 513 D C 2.164 178.460 176.300 -0.006 0.000 0.966 513 D CA 0.587 54.570 54.000 -0.028 0.000 0.868 513 D CB -0.096 40.698 40.800 -0.009 0.000 0.943 513 D HN 0.312 nan 8.370 nan 0.000 0.514 514 R N 0.801 121.304 120.500 0.004 0.000 2.119 514 R HA -0.040 4.301 4.340 0.001 0.000 0.222 514 R C 1.986 178.365 176.300 0.131 0.000 1.088 514 R CA 0.585 56.719 56.100 0.057 0.000 0.984 514 R CB 0.106 30.420 30.300 0.024 0.000 0.884 514 R HN -0.057 nan 8.270 nan 0.000 0.447 515 V N 1.334 121.286 119.914 0.064 0.000 2.379 515 V HA -0.176 3.945 4.120 0.001 0.000 0.245 515 V C 2.155 178.267 176.094 0.030 0.000 1.044 515 V CA 1.630 63.954 62.300 0.040 0.000 1.036 515 V CB -0.367 31.355 31.823 -0.168 0.000 0.664 515 V HN 0.314 nan 8.190 nan 0.000 0.453 516 K N 0.371 120.768 120.400 -0.006 0.000 2.032 516 K HA -0.189 4.132 4.320 0.001 0.000 0.209 516 K C 2.305 178.925 176.600 0.034 0.000 1.048 516 K CA 1.664 57.959 56.287 0.013 0.000 0.927 516 K CB -0.414 32.083 32.500 -0.004 0.000 0.712 516 K HN 0.477 nan 8.250 nan 0.000 0.441 517 A N 1.185 124.028 122.820 0.038 0.000 1.898 517 A HA -0.137 4.184 4.320 0.001 0.000 0.216 517 A C 2.048 179.668 177.584 0.060 0.000 1.181 517 A CA 1.054 53.117 52.037 0.044 0.000 0.620 517 A CB -0.430 18.595 19.000 0.042 0.000 0.819 517 A HN 0.239 nan 8.150 nan 0.000 0.442 518 L N -0.471 120.803 121.223 0.086 0.000 2.093 518 L HA -0.023 4.318 4.340 0.001 0.000 0.208 518 L C 2.109 179.023 176.870 0.073 0.000 1.085 518 L CA 1.581 56.480 54.840 0.098 0.000 0.755 518 L CB -0.338 41.812 42.059 0.151 0.000 0.904 518 L HN 0.394 nan 8.230 nan 0.000 0.435 519 L N -1.819 119.445 121.223 0.069 0.000 2.145 519 L HA 0.306 4.646 4.340 0.001 0.000 0.201 519 L C 1.827 178.724 176.870 0.046 0.000 1.075 519 L CA 0.573 55.449 54.840 0.060 0.000 0.773 519 L CB -0.853 41.253 42.059 0.079 0.000 0.936 519 L HN 0.469 nan 8.230 nan 0.000 0.451 520 G N 0.676 109.503 108.800 0.044 0.000 2.728 520 G HA2 -0.334 3.627 3.960 0.001 0.000 0.269 520 G HA3 -0.334 3.627 3.960 0.001 0.000 0.269 520 G C 0.534 175.452 174.900 0.030 0.000 1.334 520 G CA 0.353 45.473 45.100 0.033 0.000 0.974 520 G HN 0.338 nan 8.290 nan 0.000 0.550 521 E N 0.864 121.078 120.200 0.024 0.000 2.476 521 E HA 0.293 4.644 4.350 0.001 0.000 0.199 521 E C 2.380 178.993 176.600 0.021 0.000 1.021 521 E CA 0.049 56.460 56.400 0.019 0.000 0.907 521 E CB 0.249 29.955 29.700 0.010 0.000 0.974 521 E HN 0.477 nan 8.360 nan 0.000 0.489 522 R N 0.375 120.891 120.500 0.026 0.000 2.081 522 R HA -0.007 4.333 4.340 0.001 0.000 0.235 522 R C 0.287 176.612 176.300 0.040 0.000 1.131 522 R CA 0.801 56.916 56.100 0.026 0.000 0.960 522 R CB 0.060 30.372 30.300 0.019 0.000 0.856 522 R HN -0.015 nan 8.270 nan 0.000 0.436 523 V N 1.128 121.074 119.914 0.053 0.000 2.459 523 V HA 0.113 4.233 4.120 0.001 0.000 0.295 523 V C 0.878 177.017 176.094 0.074 0.000 1.029 523 V CA -0.643 61.705 62.300 0.080 0.000 0.874 523 V CB 1.871 33.758 31.823 0.106 0.000 0.985 523 V HN 0.102 nan 8.190 nan 0.000 0.438 524 K N 1.809 122.251 120.400 0.071 0.000 2.211 524 K HA -0.033 4.287 4.320 0.001 0.000 0.203 524 K C 0.230 176.860 176.600 0.050 0.000 1.050 524 K CA 1.233 57.547 56.287 0.046 0.000 0.945 524 K CB 0.282 32.800 32.500 0.030 0.000 0.732 524 K HN 0.787 nan 8.250 nan 0.000 0.451 525 D N -1.052 119.392 120.400 0.073 0.000 2.654 525 D HA 0.217 4.858 4.640 0.001 0.000 0.231 525 D C -1.777 174.573 176.300 0.084 0.000 1.239 525 D CA -0.496 53.540 54.000 0.060 0.000 0.790 525 D CB 2.470 43.298 40.800 0.046 0.000 1.480 525 D HN -0.196 nan 8.370 nan 0.000 0.442 526 V N 2.646 122.581 119.914 0.035 0.000 2.604 526 V HA 0.709 4.830 4.120 0.001 0.000 0.305 526 V C 0.160 176.218 176.094 -0.060 0.000 1.043 526 V CA -0.619 61.674 62.300 -0.013 0.000 0.888 526 V CB 2.012 33.787 31.823 -0.080 0.000 0.995 526 V HN 0.453 nan 8.190 nan 0.000 0.429 527 R N 2.880 123.329 120.500 -0.086 0.000 2.781 527 R HA 0.705 5.046 4.340 0.001 0.000 0.269 527 R C -1.527 174.702 176.300 -0.117 0.000 1.025 527 R CA -1.007 55.044 56.100 -0.082 0.000 0.914 527 R CB 2.165 32.442 30.300 -0.038 0.000 1.236 527 R HN 0.489 nan 8.270 nan 0.000 0.465 528 L N 0.005 121.165 121.223 -0.105 0.000 2.399 528 L HA 0.598 4.939 4.340 0.001 0.000 0.265 528 L C 0.218 176.994 176.870 -0.157 0.000 1.089 528 L CA -0.449 54.312 54.840 -0.132 0.000 0.802 528 L CB 1.722 43.697 42.059 -0.141 0.000 1.180 528 L HN 0.565 nan 8.230 nan 0.000 0.454 529 T N -1.690 112.748 114.554 -0.193 0.000 3.041 529 T HA 0.295 4.646 4.350 0.001 0.000 0.321 529 T C -0.331 174.242 174.700 -0.212 0.000 1.184 529 T CA -0.598 61.391 62.100 -0.186 0.000 1.050 529 T CB 0.585 69.412 68.868 -0.068 0.000 1.159 529 T HN 0.626 nan 8.240 nan 0.000 0.469 530 H N 2.821 121.890 119.070 -0.001 0.000 2.787 530 H HA 0.255 4.812 4.556 0.001 0.000 0.302 530 H C 0.996 176.318 175.328 -0.010 0.000 1.098 530 H CA -0.254 55.792 56.048 -0.002 0.000 1.192 530 H CB 0.087 29.848 29.762 -0.001 0.000 1.316 530 H HN 0.016 nan 8.280 nan 0.000 0.590 531 R N 1.542 122.067 120.500 0.042 0.000 4.113 531 R HA 0.051 4.391 4.340 0.001 0.000 0.179 531 R C -0.385 175.918 176.300 0.005 0.000 1.781 531 R CA -0.075 56.032 56.100 0.011 0.000 1.402 531 R CB -0.653 29.634 30.300 -0.022 0.000 1.375 531 R HN 0.417 nan 8.270 nan 0.000 0.786 532 L N 0.899 122.143 121.223 0.035 0.000 2.281 532 L HA 0.215 4.555 4.340 0.001 0.000 0.285 532 L C 0.168 177.049 176.870 0.018 0.000 1.074 532 L CA 0.477 55.340 54.840 0.038 0.000 0.817 532 L CB 1.074 43.177 42.059 0.073 0.000 1.168 532 L HN 0.378 nan 8.230 nan 0.000 0.434 533 T N 1.459 116.017 114.554 0.006 0.000 2.737 533 T HA -0.031 4.320 4.350 0.001 0.000 0.312 533 T C -0.418 174.257 174.700 -0.041 0.000 1.857 533 T CA -0.693 61.403 62.100 -0.007 0.000 0.999 533 T CB 0.915 69.768 68.868 -0.024 0.000 1.854 533 T HN 0.666 nan 8.240 nan 0.000 0.513 534 D N 1.329 121.708 120.400 -0.035 0.000 2.370 534 D HA 0.084 4.725 4.640 0.001 0.000 0.256 534 D C -0.148 176.009 176.300 -0.239 0.000 1.197 534 D CA 0.548 54.507 54.000 -0.069 0.000 0.922 534 D CB 0.014 40.826 40.800 0.020 0.000 0.911 534 D HN 0.417 nan 8.370 nan 0.000 0.517 535 T N 1.268 115.672 114.554 -0.249 0.000 2.779 535 T HA 0.224 4.575 4.350 0.001 0.000 0.280 535 T C -1.495 173.012 174.700 -0.321 0.000 0.987 535 T CA -1.387 60.552 62.100 -0.268 0.000 0.966 535 T CB 2.424 71.197 68.868 -0.159 0.000 0.933 535 T HN 0.013 nan 8.240 nan 0.000 0.442 536 P HA 0.114 nan 4.420 nan 0.000 0.211 536 P C 0.155 177.444 177.300 -0.019 0.000 1.191 536 P CA 0.480 63.495 63.100 -0.141 0.000 0.909 536 P CB 0.298 32.027 31.700 0.049 0.000 0.770 537 A N -0.277 122.563 122.820 0.033 0.000 2.337 537 A HA 0.764 5.084 4.320 0.001 0.000 0.331 537 A C -0.611 177.022 177.584 0.082 0.000 1.137 537 A CA -0.817 51.288 52.037 0.113 0.000 0.807 537 A CB 0.834 20.017 19.000 0.305 0.000 1.250 537 A HN 0.273 nan 8.150 nan 0.000 0.468 538 I N 1.437 122.079 120.570 0.121 0.000 2.743 538 I HA 0.544 4.715 4.170 0.001 0.000 0.292 538 I C -1.915 174.230 176.117 0.046 0.000 1.343 538 I CA -0.714 60.572 61.300 -0.024 0.000 1.038 538 I CB 1.846 39.744 38.000 -0.171 0.000 1.311 538 I HN 0.629 nan 8.210 nan 0.000 0.426 539 V N 6.627 126.504 119.914 -0.061 0.000 2.555 539 V HA 0.777 4.898 4.120 0.001 0.000 0.302 539 V C -0.473 175.650 176.094 0.048 0.000 1.038 539 V CA 0.257 62.518 62.300 -0.065 0.000 0.887 539 V CB 2.007 33.593 31.823 -0.395 0.000 0.991 539 V HN 0.914 nan 8.190 nan 0.000 0.434 540 S N 3.504 119.298 115.700 0.157 0.000 2.811 540 S HA 0.832 5.303 4.470 0.001 0.000 0.311 540 S C -0.558 174.214 174.600 0.287 0.000 1.152 540 S CA -0.499 57.843 58.200 0.237 0.000 0.864 540 S CB 2.072 65.387 63.200 0.192 0.000 1.226 540 S HN 1.062 nan 8.310 nan 0.000 0.541 541 T N 0.071 114.734 114.554 0.181 0.000 2.885 541 T HA 0.507 4.858 4.350 0.001 0.000 0.322 541 T C -1.841 172.883 174.700 0.041 0.000 1.387 541 T CA -0.536 61.623 62.100 0.098 0.000 1.041 541 T CB 1.163 70.049 68.868 0.029 0.000 1.287 541 T HN 0.574 nan 8.240 nan 0.000 0.491 542 D N 1.328 121.741 120.400 0.023 0.000 3.680 542 D HA 0.534 5.175 4.640 0.001 0.000 0.177 542 D C 0.939 177.237 176.300 -0.003 0.000 1.239 542 D CA 0.349 54.355 54.000 0.010 0.000 1.316 542 D CB -0.514 40.298 40.800 0.020 0.000 1.156 542 D HN 1.121 nan 8.370 nan 0.000 0.384 543 A N 0.708 123.529 122.820 0.001 0.000 2.799 543 A HA -0.238 4.083 4.320 0.001 0.000 0.287 543 A C 0.286 177.860 177.584 -0.016 0.000 1.484 543 A CA 1.728 53.762 52.037 -0.005 0.000 0.813 543 A CB -2.082 16.915 19.000 -0.006 0.000 1.009 543 A HN 0.607 nan 8.150 nan 0.000 0.545 544 D N -1.673 118.717 120.400 -0.016 0.000 2.751 544 D HA -0.145 4.496 4.640 0.001 0.000 0.233 544 D C 0.147 176.426 176.300 -0.036 0.000 1.149 544 D CA 1.859 55.845 54.000 -0.024 0.000 0.682 544 D CB -0.360 40.427 40.800 -0.022 0.000 1.068 544 D HN 0.809 nan 8.370 nan 0.000 0.429 545 E N -0.477 119.697 120.200 -0.042 0.000 2.243 545 E HA 0.342 4.693 4.350 0.001 0.000 0.260 545 E C 0.523 177.078 176.600 -0.075 0.000 0.985 545 E CA -1.172 55.190 56.400 -0.063 0.000 0.858 545 E CB 0.636 30.292 29.700 -0.073 0.000 1.210 545 E HN 0.244 nan 8.360 nan 0.000 0.411 546 M N 2.060 121.599 119.600 -0.103 0.000 2.611 546 M HA -0.043 4.438 4.480 0.001 0.000 0.361 546 M C -0.510 175.728 176.300 -0.103 0.000 1.761 546 M CA 0.274 55.508 55.300 -0.111 0.000 1.145 546 M CB -0.465 32.034 32.600 -0.168 0.000 2.121 546 M HN 0.338 nan 8.290 nan 0.000 0.465 547 S N 2.582 118.249 115.700 -0.054 0.000 2.584 547 S HA 0.079 4.550 4.470 0.001 0.000 0.270 547 S C 1.200 175.789 174.600 -0.017 0.000 1.346 547 S CA -0.251 57.930 58.200 -0.032 0.000 1.018 547 S CB 0.959 64.156 63.200 -0.005 0.000 0.899 547 S HN 0.809 nan 8.310 nan 0.000 0.542 548 T N 0.333 114.894 114.554 0.011 0.000 2.708 548 T HA -0.144 4.207 4.350 0.001 0.000 0.266 548 T C 1.694 176.431 174.700 0.062 0.000 1.037 548 T CA 1.310 63.441 62.100 0.051 0.000 1.146 548 T CB -0.422 68.522 68.868 0.127 0.000 0.865 548 T HN 0.530 nan 8.240 nan 0.000 0.435 549 Q N -0.064 119.774 119.800 0.064 0.000 2.172 549 Q HA 0.049 4.389 4.340 0.001 0.000 0.200 549 Q C 2.226 178.288 176.000 0.105 0.000 0.964 549 Q CA 0.846 56.699 55.803 0.083 0.000 0.855 549 Q CB -0.492 28.298 28.738 0.086 0.000 0.918 549 Q HN 0.457 nan 8.270 nan 0.000 0.444 550 M N 0.830 120.489 119.600 0.099 0.000 2.108 550 M HA -0.138 4.342 4.480 0.001 0.000 0.261 550 M C 1.957 178.405 176.300 0.246 0.000 1.066 550 M CA 1.730 57.120 55.300 0.150 0.000 1.107 550 M CB -0.803 31.862 32.600 0.108 0.000 1.356 550 M HN 0.160 nan 8.290 nan 0.000 0.406 551 A N -0.252 122.646 122.820 0.130 0.000 1.865 551 A HA -0.222 4.098 4.320 0.001 0.000 0.217 551 A C 2.208 179.892 177.584 0.167 0.000 1.191 551 A CA 2.034 54.132 52.037 0.102 0.000 0.623 551 A CB -0.747 18.252 19.000 -0.001 0.000 0.826 551 A HN 0.551 nan 8.150 nan 0.000 0.444 552 K N -1.070 119.405 120.400 0.125 0.000 2.211 552 K HA -0.128 4.193 4.320 0.001 0.000 0.204 552 K C 1.803 178.480 176.600 0.128 0.000 1.047 552 K CA 1.162 57.515 56.287 0.111 0.000 0.935 552 K CB -0.342 32.211 32.500 0.087 0.000 0.728 552 K HN 0.369 nan 8.250 nan 0.000 0.452 553 L N -0.015 121.302 121.223 0.157 0.000 2.072 553 L HA -0.074 4.266 4.340 0.001 0.000 0.205 553 L C 1.928 178.855 176.870 0.094 0.000 1.079 553 L CA 1.472 56.386 54.840 0.124 0.000 0.752 553 L CB -0.454 41.679 42.059 0.125 0.000 0.906 553 L HN 0.002 nan 8.230 nan 0.000 0.436 554 F N -0.486 119.491 119.950 0.045 0.000 2.126 554 F HA -0.253 4.275 4.527 0.001 0.000 0.299 554 F C 2.473 178.291 175.800 0.030 0.000 1.096 554 F CA 1.458 59.479 58.000 0.035 0.000 1.255 554 F CB -0.928 38.081 39.000 0.016 0.000 0.997 554 F HN 0.145 nan 8.300 nan 0.000 0.479 555 A N -0.185 122.764 122.820 0.214 0.000 1.908 555 A HA -0.155 4.166 4.320 0.001 0.000 0.218 555 A C 2.347 179.979 177.584 0.080 0.000 1.181 555 A CA 1.989 54.099 52.037 0.122 0.000 0.627 555 A CB -1.279 17.777 19.000 0.093 0.000 0.818 555 A HN 0.331 nan 8.150 nan 0.000 0.445 556 A N -0.897 121.965 122.820 0.069 0.000 2.016 556 A HA 0.417 4.738 4.320 0.001 0.000 0.217 556 A C 2.141 179.736 177.584 0.018 0.000 1.162 556 A CA 1.355 53.414 52.037 0.037 0.000 0.662 556 A CB -0.536 18.485 19.000 0.034 0.000 0.812 556 A HN 1.049 nan 8.150 nan 0.000 0.450 557 A N -1.086 121.742 122.820 0.012 0.000 2.278 557 A HA 0.440 4.761 4.320 0.001 0.000 0.212 557 A C 1.468 179.062 177.584 0.016 0.000 1.213 557 A CA 0.827 52.861 52.037 -0.006 0.000 0.840 557 A CB -1.079 17.892 19.000 -0.049 0.000 0.866 557 A HN 1.803 nan 8.150 nan 0.000 0.489 558 G N 0.105 108.930 108.800 0.042 0.000 2.333 558 G HA2 -0.202 3.758 3.960 0.001 0.000 0.296 558 G HA3 -0.202 3.758 3.960 0.001 0.000 0.296 558 G C -0.217 174.723 174.900 0.067 0.000 1.059 558 G CA 0.388 45.518 45.100 0.050 0.000 1.050 558 G HN 0.695 nan 8.290 nan 0.000 0.508 559 Q N -0.521 119.347 119.800 0.114 0.000 2.445 559 Q HA 0.453 4.794 4.340 0.001 0.000 0.281 559 Q C -0.008 176.079 176.000 0.146 0.000 1.101 559 Q CA -1.159 54.732 55.803 0.146 0.000 0.833 559 Q CB 1.615 30.493 28.738 0.234 0.000 1.416 559 Q HN 0.334 nan 8.270 nan 0.000 0.451 560 K N 1.195 121.658 120.400 0.104 0.000 2.402 560 K HA 0.069 4.390 4.320 0.001 0.000 0.279 560 K C -0.367 176.247 176.600 0.023 0.000 1.082 560 K CA -0.022 56.294 56.287 0.049 0.000 1.080 560 K CB -0.071 32.440 32.500 0.019 0.000 0.899 560 K HN 0.295 nan 8.250 nan 0.000 0.469 561 V N 6.582 126.509 119.914 0.022 0.000 2.441 561 V HA -0.030 4.091 4.120 0.001 0.000 0.279 561 V C -1.740 174.299 176.094 -0.091 0.000 0.990 561 V CA -1.071 61.227 62.300 -0.002 0.000 1.116 561 V CB -0.839 30.994 31.823 0.017 0.000 0.977 561 V HN 0.636 nan 8.190 nan 0.000 0.470 562 P HA 0.060 nan 4.420 nan 0.000 0.267 562 P C 0.189 177.371 177.300 -0.197 0.000 1.200 562 P CA -0.209 62.728 63.100 -0.272 0.000 0.772 562 P CB 0.493 31.889 31.700 -0.508 0.000 0.855 563 E N 1.544 121.642 120.200 -0.170 0.000 2.414 563 E HA 0.099 4.450 4.350 0.001 0.000 0.263 563 E C -0.938 175.539 176.600 -0.204 0.000 1.000 563 E CA -0.275 56.035 56.400 -0.150 0.000 0.914 563 E CB 0.408 30.037 29.700 -0.119 0.000 0.948 563 E HN 0.110 nan 8.360 nan 0.000 0.444 564 V N 3.130 122.889 119.914 -0.258 0.000 2.427 564 V HA 0.394 4.515 4.120 0.001 0.000 0.286 564 V C 0.485 176.312 176.094 -0.444 0.000 1.034 564 V CA -0.398 61.632 62.300 -0.451 0.000 0.893 564 V CB 0.974 32.325 31.823 -0.787 0.000 0.982 564 V HN 0.715 nan 8.190 nan 0.000 0.452 565 K N 4.113 124.295 120.400 -0.362 0.000 2.244 565 K HA 0.515 4.836 4.320 0.001 0.000 0.263 565 K C -0.820 175.687 176.600 -0.155 0.000 1.103 565 K CA -0.411 55.755 56.287 -0.200 0.000 0.966 565 K CB 0.002 32.431 32.500 -0.117 0.000 1.429 565 K HN 0.570 nan 8.250 nan 0.000 0.434 566 Y N 0.717 121.003 120.300 -0.023 0.000 2.335 566 Y HA 0.498 5.049 4.550 0.001 0.000 0.323 566 Y C 0.630 176.535 175.900 0.008 0.000 1.224 566 Y CA -1.585 56.504 58.100 -0.019 0.000 1.241 566 Y CB 1.549 39.977 38.460 -0.053 0.000 1.235 566 Y HN 0.416 nan 8.280 nan 0.000 0.492 567 I N 4.221 124.943 120.570 0.254 0.000 2.464 567 I HA 0.060 4.231 4.170 0.001 0.000 0.277 567 I C -0.614 175.630 176.117 0.211 0.000 1.040 567 I CA -1.074 60.332 61.300 0.177 0.000 1.153 567 I CB -0.033 38.046 38.000 0.131 0.000 1.274 567 I HN 0.340 nan 8.210 nan 0.000 0.469 568 F N 6.265 126.225 119.950 0.017 0.000 2.538 568 F HA 0.230 4.758 4.527 0.001 0.000 0.371 568 F C 0.667 176.448 175.800 -0.031 0.000 1.087 568 F CA 0.014 58.000 58.000 -0.024 0.000 1.250 568 F CB 0.406 39.385 39.000 -0.035 0.000 1.110 568 F HN 0.457 nan 8.300 nan 0.000 0.570 569 E N 5.854 126.215 120.200 0.268 0.000 2.266 569 E HA 0.553 4.903 4.350 0.001 0.000 0.268 569 E C -1.336 175.185 176.600 -0.131 0.000 0.879 569 E CA -0.902 55.493 56.400 -0.008 0.000 0.762 569 E CB 2.846 32.565 29.700 0.030 0.000 1.199 569 E HN 0.448 nan 8.360 nan 0.000 0.422 570 L N 1.775 122.891 121.223 -0.178 0.000 2.333 570 L HA 0.426 4.767 4.340 0.001 0.000 0.263 570 L C -0.484 176.346 176.870 -0.067 0.000 1.014 570 L CA -0.927 53.825 54.840 -0.147 0.000 0.820 570 L CB 1.776 43.723 42.059 -0.188 0.000 1.352 570 L HN 0.354 nan 8.230 nan 0.000 0.421 571 N N 1.375 120.066 118.700 -0.015 0.000 2.621 571 N HA 0.358 5.099 4.740 0.001 0.000 0.237 571 N C -2.227 173.308 175.510 0.041 0.000 0.997 571 N CA -2.194 50.855 53.050 -0.000 0.000 0.918 571 N CB 1.493 39.983 38.487 0.005 0.000 1.122 571 N HN 0.167 nan 8.380 nan 0.000 0.510 572 P HA -0.004 nan 4.420 nan 0.000 0.229 572 P C -0.501 176.821 177.300 0.036 0.000 1.150 572 P CA 1.128 64.243 63.100 0.025 0.000 0.765 572 P CB 0.345 32.046 31.700 0.001 0.000 0.783 573 D N -3.559 116.878 120.400 0.062 0.000 2.440 573 D HA 0.026 4.667 4.640 0.001 0.000 0.216 573 D C 0.221 176.582 176.300 0.101 0.000 1.150 573 D CA 0.000 54.040 54.000 0.067 0.000 0.832 573 D CB -0.152 40.693 40.800 0.075 0.000 0.992 573 D HN 0.236 nan 8.370 nan 0.000 0.502 574 H N 0.505 119.576 119.070 0.002 0.000 2.492 574 H HA 0.167 4.724 4.556 0.001 0.000 0.345 574 H C 1.300 176.626 175.328 -0.004 0.000 1.136 574 H CA -0.725 55.327 56.048 0.008 0.000 1.202 574 H CB 1.736 31.512 29.762 0.023 0.000 1.524 574 H HN -0.246 nan 8.280 nan 0.000 0.506 575 V N 5.045 124.617 119.914 -0.570 0.000 2.238 575 V HA -0.410 3.711 4.120 0.001 0.000 0.253 575 V C 2.675 178.648 176.094 -0.202 0.000 1.050 575 V CA 2.367 64.438 62.300 -0.382 0.000 1.045 575 V CB -1.006 30.561 31.823 -0.426 0.000 0.670 575 V HN 0.746 nan 8.190 nan 0.000 0.469 576 L N -0.409 120.768 121.223 -0.076 0.000 2.187 576 L HA -0.164 4.177 4.340 0.001 0.000 0.213 576 L C 2.396 179.309 176.870 0.072 0.000 1.100 576 L CA 0.962 55.876 54.840 0.122 0.000 0.765 576 L CB -0.790 41.536 42.059 0.445 0.000 0.904 576 L HN 0.256 nan 8.230 nan 0.000 0.437 577 V N 0.224 120.218 119.914 0.133 0.000 2.237 577 V HA -0.303 3.818 4.120 0.001 0.000 0.245 577 V C 2.493 178.527 176.094 -0.099 0.000 1.046 577 V CA 1.993 64.348 62.300 0.092 0.000 1.007 577 V CB -0.555 31.343 31.823 0.125 0.000 0.638 577 V HN 0.455 nan 8.190 nan 0.000 0.445 578 K N -0.207 120.105 120.400 -0.147 0.000 2.026 578 K HA -0.174 4.147 4.320 0.001 0.000 0.208 578 K C 2.432 178.832 176.600 -0.335 0.000 1.048 578 K CA 1.268 57.403 56.287 -0.253 0.000 0.929 578 K CB -0.312 32.081 32.500 -0.179 0.000 0.713 578 K HN 0.203 nan 8.250 nan 0.000 0.439 579 R N 1.086 121.387 120.500 -0.331 0.000 2.096 579 R HA -0.087 4.254 4.340 0.001 0.000 0.235 579 R C 2.116 178.030 176.300 -0.643 0.000 1.127 579 R CA 1.520 57.361 56.100 -0.432 0.000 0.968 579 R CB -0.201 29.842 30.300 -0.428 0.000 0.861 579 R HN 0.233 nan 8.270 nan 0.000 0.440 580 A N 0.393 122.766 122.820 -0.745 0.000 1.968 580 A HA 0.040 4.361 4.320 0.001 0.000 0.217 580 A C 2.287 179.746 177.584 -0.207 0.000 1.169 580 A CA 1.235 52.888 52.037 -0.640 0.000 0.638 580 A CB -0.432 18.402 19.000 -0.277 0.000 0.812 580 A HN 0.442 nan 8.150 nan 0.000 0.446 581 A N 0.026 122.554 122.820 -0.487 0.000 1.978 581 A HA -0.187 4.134 4.320 0.001 0.000 0.220 581 A C 1.727 178.983 177.584 -0.546 0.000 1.170 581 A CA 1.909 53.314 52.037 -1.054 0.000 0.636 581 A CB -0.395 17.709 19.000 -1.493 0.000 0.810 581 A HN 0.462 nan 8.150 nan 0.000 0.448 582 D N -0.603 119.573 120.400 -0.373 0.000 2.162 582 D HA 0.013 4.654 4.640 0.001 0.000 0.205 582 D C 0.515 176.697 176.300 -0.197 0.000 0.964 582 D CA 0.795 54.637 54.000 -0.263 0.000 0.847 582 D CB -0.613 40.052 40.800 -0.225 0.000 0.988 582 D HN 0.257 nan 8.370 nan 0.000 0.480 583 T N 1.405 115.862 114.554 -0.162 0.000 2.934 583 T HA 0.005 4.356 4.350 0.001 0.000 0.306 583 T C 1.131 175.785 174.700 -0.076 0.000 1.042 583 T CA 0.508 62.557 62.100 -0.084 0.000 1.145 583 T CB 0.947 69.790 68.868 -0.041 0.000 0.982 583 T HN 0.093 nan 8.240 nan 0.000 0.544 584 E N 0.790 120.952 120.200 -0.063 0.000 2.498 584 E HA 0.042 4.393 4.350 0.001 0.000 0.203 584 E C 0.260 176.844 176.600 -0.027 0.000 1.013 584 E CA -0.241 56.106 56.400 -0.089 0.000 0.927 584 E CB 0.528 30.180 29.700 -0.081 0.000 1.012 584 E HN 0.606 nan 8.360 nan 0.000 0.482 585 D N 1.675 122.096 120.400 0.035 0.000 2.425 585 D HA -0.031 4.610 4.640 0.001 0.000 0.247 585 D C 0.621 177.003 176.300 0.136 0.000 1.147 585 D CA 0.358 54.403 54.000 0.075 0.000 0.879 585 D CB 1.002 41.858 40.800 0.092 0.000 1.179 585 D HN 0.132 nan 8.370 nan 0.000 0.456 586 E N 2.295 122.564 120.200 0.115 0.000 2.107 586 E HA -0.145 4.206 4.350 0.001 0.000 0.191 586 E C 1.749 178.470 176.600 0.202 0.000 0.982 586 E CA 0.706 57.203 56.400 0.162 0.000 0.809 586 E CB 0.104 29.866 29.700 0.103 0.000 0.756 586 E HN 0.535 nan 8.360 nan 0.000 0.459 587 A N 1.796 124.703 122.820 0.146 0.000 1.872 587 A HA -0.178 4.143 4.320 0.001 0.000 0.214 587 A C 2.102 179.779 177.584 0.154 0.000 1.187 587 A CA 1.637 53.749 52.037 0.126 0.000 0.614 587 A CB -0.263 18.789 19.000 0.086 0.000 0.826 587 A HN 0.031 nan 8.150 nan 0.000 0.442 588 K N -0.687 119.825 120.400 0.186 0.000 2.002 588 K HA -0.131 4.190 4.320 0.001 0.000 0.209 588 K C 1.681 178.497 176.600 0.360 0.000 1.048 588 K CA 1.827 58.261 56.287 0.245 0.000 0.930 588 K CB -0.658 31.985 32.500 0.237 0.000 0.714 588 K HN 0.318 nan 8.250 nan 0.000 0.438 589 F N 1.007 121.076 119.950 0.199 0.000 2.095 589 F HA -0.221 4.306 4.527 0.001 0.000 0.298 589 F C 2.423 178.370 175.800 0.245 0.000 1.104 589 F CA 2.053 60.183 58.000 0.218 0.000 1.232 589 F CB -1.100 37.980 39.000 0.134 0.000 0.987 589 F HN 0.187 nan 8.300 nan 0.000 0.475 590 S N 0.013 115.808 115.700 0.158 0.000 2.368 590 S HA -0.309 4.162 4.470 0.001 0.000 0.226 590 S C 1.991 176.583 174.600 -0.013 0.000 1.044 590 S CA 2.005 60.223 58.200 0.029 0.000 1.062 590 S CB -0.613 62.651 63.200 0.107 0.000 0.931 590 S HN 0.646 nan 8.310 nan 0.000 0.440 591 E N -0.969 119.257 120.200 0.043 0.000 2.171 591 E HA -0.202 4.148 4.350 0.001 0.000 0.197 591 E C 1.687 178.246 176.600 -0.069 0.000 0.997 591 E CA 1.588 57.976 56.400 -0.021 0.000 0.810 591 E CB -0.197 29.488 29.700 -0.024 0.000 0.738 591 E HN 0.709 nan 8.360 nan 0.000 0.467 592 W N -0.131 121.103 121.300 -0.110 0.000 2.501 592 W HA -0.070 4.591 4.660 0.001 0.000 0.309 592 W C 2.333 178.783 176.519 -0.115 0.000 1.165 592 W CA 0.535 57.823 57.345 -0.096 0.000 1.381 592 W CB -0.620 28.794 29.460 -0.078 0.000 1.142 592 W HN -0.119 nan 8.180 nan 0.000 0.509 593 V N 0.862 120.761 119.914 -0.025 0.000 2.469 593 V HA -0.284 3.836 4.120 0.001 0.000 0.251 593 V C 2.064 178.209 176.094 0.086 0.000 1.064 593 V CA 2.173 64.456 62.300 -0.027 0.000 1.066 593 V CB -0.334 31.323 31.823 -0.277 0.000 0.667 593 V HN 0.157 nan 8.190 nan 0.000 0.461 594 E N -0.441 119.769 120.200 0.016 0.000 2.047 594 E HA -0.199 4.151 4.350 0.001 0.000 0.191 594 E C 2.133 178.755 176.600 0.036 0.000 0.987 594 E CA 1.641 58.053 56.400 0.020 0.000 0.799 594 E CB -0.240 29.451 29.700 -0.015 0.000 0.752 594 E HN 0.589 nan 8.360 nan 0.000 0.449 595 L N 1.165 122.384 121.223 -0.005 0.000 2.079 595 L HA -0.177 4.164 4.340 0.001 0.000 0.210 595 L C 2.144 179.093 176.870 0.132 0.000 1.081 595 L CA 1.464 56.304 54.840 0.000 0.000 0.752 595 L CB -0.436 41.493 42.059 -0.216 0.000 0.896 595 L HN 0.099 nan 8.230 nan 0.000 0.433 596 L N -1.374 119.958 121.223 0.182 0.000 2.056 596 L HA -0.186 4.154 4.340 0.001 0.000 0.207 596 L C 2.503 179.538 176.870 0.275 0.000 1.078 596 L CA 1.291 56.297 54.840 0.278 0.000 0.749 596 L CB -0.549 41.724 42.059 0.358 0.000 0.901 596 L HN 0.395 nan 8.230 nan 0.000 0.433 597 L N 0.112 121.454 121.223 0.199 0.000 1.988 597 L HA -0.225 4.116 4.340 0.001 0.000 0.207 597 L C 2.018 178.762 176.870 -0.209 0.000 1.071 597 L CA 1.944 56.629 54.840 -0.258 0.000 0.744 597 L CB -0.604 41.250 42.059 -0.341 0.000 0.893 597 L HN 0.149 nan 8.230 nan 0.000 0.433 598 D N -0.660 119.703 120.400 -0.062 0.000 2.149 598 D HA -0.283 4.358 4.640 0.001 0.000 0.194 598 D C 2.105 178.321 176.300 -0.139 0.000 1.001 598 D CA 1.526 55.510 54.000 -0.027 0.000 0.849 598 D CB -0.179 40.730 40.800 0.181 0.000 0.939 598 D HN 0.534 nan 8.370 nan 0.000 0.449 599 Q N -0.165 119.599 119.800 -0.061 0.000 2.061 599 Q HA -0.181 4.160 4.340 0.001 0.000 0.204 599 Q C 2.039 177.901 176.000 -0.229 0.000 0.984 599 Q CA 1.756 57.432 55.803 -0.212 0.000 0.846 599 Q CB -0.090 28.667 28.738 0.032 0.000 0.902 599 Q HN 0.283 nan 8.270 nan 0.000 0.421 600 A N 0.554 123.278 122.820 -0.161 0.000 1.898 600 A HA -0.123 4.198 4.320 0.001 0.000 0.216 600 A C 2.055 179.484 177.584 -0.259 0.000 1.181 600 A CA 0.904 52.829 52.037 -0.186 0.000 0.620 600 A CB -0.663 18.243 19.000 -0.156 0.000 0.819 600 A HN 0.425 nan 8.150 nan 0.000 0.442 601 L N -0.864 120.175 121.223 -0.307 0.000 1.971 601 L HA -0.240 4.101 4.340 0.001 0.000 0.215 601 L C 2.647 179.383 176.870 -0.224 0.000 1.072 601 L CA 1.895 56.553 54.840 -0.303 0.000 0.758 601 L CB -0.723 41.182 42.059 -0.256 0.000 0.889 601 L HN 0.500 nan 8.230 nan 0.000 0.433 602 L N -0.194 120.883 121.223 -0.244 0.000 2.129 602 L HA -0.242 4.099 4.340 0.001 0.000 0.212 602 L C 2.561 179.330 176.870 -0.168 0.000 1.087 602 L CA 1.526 56.231 54.840 -0.224 0.000 0.757 602 L CB -0.233 41.607 42.059 -0.365 0.000 0.896 602 L HN 0.260 nan 8.230 nan 0.000 0.434 603 A N -1.300 121.415 122.820 -0.174 0.000 2.067 603 A HA -0.145 4.175 4.320 0.001 0.000 0.217 603 A C 2.008 179.559 177.584 -0.055 0.000 1.156 603 A CA 1.358 53.326 52.037 -0.115 0.000 0.683 603 A CB -0.221 18.701 19.000 -0.130 0.000 0.808 603 A HN 0.538 nan 8.150 nan 0.000 0.455 604 E N 0.130 120.288 120.200 -0.070 0.000 2.048 604 E HA 0.067 4.418 4.350 0.001 0.000 0.193 604 E C 1.846 178.446 176.600 0.001 0.000 0.956 604 E CA 0.482 56.879 56.400 -0.005 0.000 0.846 604 E CB -0.213 29.454 29.700 -0.056 0.000 0.827 604 E HN 0.355 nan 8.360 nan 0.000 0.466 605 R N 0.335 120.822 120.500 -0.022 0.000 2.357 605 R HA 0.054 4.395 4.340 0.001 0.000 0.202 605 R C 1.340 177.642 176.300 0.002 0.000 1.047 605 R CA 0.511 56.625 56.100 0.022 0.000 1.034 605 R CB -0.334 29.985 30.300 0.031 0.000 0.875 605 R HN 0.444 nan 8.270 nan 0.000 0.473 606 G N 1.065 109.853 108.800 -0.020 0.000 4.230 606 G HA2 -0.457 3.503 3.960 0.001 0.000 0.340 606 G HA3 -0.457 3.503 3.960 0.001 0.000 0.340 606 G C 0.574 175.464 174.900 -0.016 0.000 1.315 606 G CA 0.931 46.023 45.100 -0.013 0.000 1.033 606 G HN 0.471 nan 8.290 nan 0.000 0.741 607 T N 0.943 115.498 114.554 0.000 0.000 3.859 607 T HA 0.503 4.854 4.350 0.001 0.000 0.251 607 T C 0.697 175.395 174.700 -0.004 0.000 1.079 607 T CA 0.022 62.123 62.100 0.001 0.000 1.151 607 T CB 0.178 69.053 68.868 0.012 0.000 1.173 607 T HN 0.696 nan 8.240 nan 0.000 0.885 608 L N 2.814 124.025 121.223 -0.021 0.000 2.500 608 L HA 0.144 4.485 4.340 0.001 0.000 0.272 608 L C 0.673 177.539 176.870 -0.005 0.000 1.149 608 L CA -0.128 54.696 54.840 -0.027 0.000 0.897 608 L CB 0.372 42.395 42.059 -0.060 0.000 1.178 608 L HN 0.604 nan 8.230 nan 0.000 0.473 609 E N 2.740 122.941 120.200 0.002 0.000 2.335 609 E HA 0.015 4.365 4.350 0.001 0.000 0.191 609 E C -0.890 175.718 176.600 0.014 0.000 1.150 609 E CA 0.294 56.700 56.400 0.010 0.000 1.001 609 E CB -0.133 29.575 29.700 0.013 0.000 1.127 609 E HN 0.364 nan 8.360 nan 0.000 0.462 610 D N -1.550 118.861 120.400 0.018 0.000 2.732 610 D HA 0.031 4.672 4.640 0.001 0.000 0.203 610 D C -2.357 173.977 176.300 0.058 0.000 1.342 610 D CA -1.029 52.990 54.000 0.031 0.000 1.190 610 D CB 0.526 41.343 40.800 0.029 0.000 1.406 610 D HN -0.175 nan 8.370 nan 0.000 0.597 611 P HA -0.103 nan 4.420 nan 0.000 0.218 611 P C 1.369 178.770 177.300 0.168 0.000 1.148 611 P CA 0.829 63.997 63.100 0.113 0.000 0.822 611 P CB 0.251 31.995 31.700 0.073 0.000 0.784 612 N N -0.628 118.123 118.700 0.086 0.000 2.104 612 N HA -0.176 4.565 4.740 0.001 0.000 0.190 612 N C 1.640 177.169 175.510 0.033 0.000 1.024 612 N CA 0.799 53.877 53.050 0.047 0.000 0.853 612 N CB -0.331 38.169 38.487 0.021 0.000 1.008 612 N HN -0.055 nan 8.380 nan 0.000 0.424 613 L N 0.839 122.094 121.223 0.053 0.000 1.994 613 L HA -0.120 4.220 4.340 0.001 0.000 0.208 613 L C 2.188 179.077 176.870 0.032 0.000 1.071 613 L CA 1.519 56.378 54.840 0.030 0.000 0.745 613 L CB -1.187 40.895 42.059 0.038 0.000 0.892 613 L HN 0.253 nan 8.230 nan 0.000 0.431 614 F N -0.065 119.856 119.950 -0.048 0.000 2.091 614 F HA -0.272 4.257 4.527 0.002 0.000 0.299 614 F C 2.223 177.984 175.800 -0.065 0.000 1.103 614 F CA 1.991 59.955 58.000 -0.060 0.000 1.228 614 F CB -0.607 38.358 39.000 -0.058 0.000 0.984 614 F HN 0.074 nan 8.300 nan 0.000 0.477 615 I N 0.379 120.670 120.570 -0.465 0.000 2.208 615 I HA -0.317 3.854 4.170 0.001 0.000 0.245 615 I C 2.758 178.646 176.117 -0.383 0.000 1.097 615 I CA 1.582 62.544 61.300 -0.563 0.000 1.363 615 I CB -0.531 37.370 38.000 -0.164 0.000 1.051 615 I HN 0.163 nan 8.210 nan 0.000 0.413 616 R N 0.071 120.440 120.500 -0.219 0.000 2.081 616 R HA -0.184 4.157 4.340 0.001 0.000 0.235 616 R C 2.447 178.637 176.300 -0.183 0.000 1.131 616 R CA 1.249 57.254 56.100 -0.157 0.000 0.960 616 R CB -0.220 30.026 30.300 -0.090 0.000 0.856 616 R HN 0.140 nan 8.270 nan 0.000 0.436 617 R N 0.696 121.072 120.500 -0.207 0.000 2.073 617 R HA -0.085 4.256 4.340 0.001 0.000 0.234 617 R C 2.206 178.339 176.300 -0.279 0.000 1.134 617 R CA 1.480 57.461 56.100 -0.199 0.000 0.952 617 R CB -0.420 29.782 30.300 -0.163 0.000 0.850 617 R HN 0.128 nan 8.270 nan 0.000 0.433 618 M N 0.537 119.891 119.600 -0.408 0.000 2.175 618 M HA -0.153 4.328 4.480 0.001 0.000 0.264 618 M C 0.840 176.956 176.300 -0.306 0.000 1.063 618 M CA 1.682 56.724 55.300 -0.431 0.000 1.119 618 M CB -0.607 31.635 32.600 -0.597 0.000 1.377 618 M HN 0.111 nan 8.290 nan 0.000 0.415 619 N N 0.972 119.517 118.700 -0.259 0.000 2.036 619 N HA -0.253 4.488 4.740 0.001 0.000 0.195 619 N C 1.646 177.073 175.510 -0.139 0.000 1.037 619 N CA 1.894 54.841 53.050 -0.171 0.000 0.855 619 N CB -0.778 37.626 38.487 -0.138 0.000 1.033 619 N HN 0.468 nan 8.380 nan 0.000 0.423 620 Q N 0.868 120.587 119.800 -0.136 0.000 2.084 620 Q HA 0.019 4.359 4.340 0.001 0.000 0.202 620 Q C 2.005 177.940 176.000 -0.108 0.000 0.978 620 Q CA 0.986 56.729 55.803 -0.100 0.000 0.844 620 Q CB -0.484 28.202 28.738 -0.086 0.000 0.898 620 Q HN 0.452 nan 8.270 nan 0.000 0.426 621 L N -0.566 120.550 121.223 -0.177 0.000 2.353 621 L HA -0.060 4.280 4.340 0.001 0.000 0.220 621 L C 1.465 178.247 176.870 -0.147 0.000 1.133 621 L CA 0.799 55.506 54.840 -0.221 0.000 0.798 621 L CB 0.078 41.857 42.059 -0.468 0.000 0.922 621 L HN 0.343 nan 8.230 nan 0.000 0.445 622 L N -2.697 118.451 121.223 -0.125 0.000 2.470 622 L HA 0.006 4.347 4.340 0.001 0.000 0.219 622 L C 2.108 178.953 176.870 -0.040 0.000 1.071 622 L CA -0.048 54.749 54.840 -0.072 0.000 0.850 622 L CB 0.186 42.194 42.059 -0.085 0.000 1.040 622 L HN -0.002 nan 8.230 nan 0.000 0.475 623 V N -0.315 119.570 119.914 -0.048 0.000 2.283 623 V HA -0.114 4.007 4.120 0.001 0.000 0.243 623 V C 1.500 177.587 176.094 -0.013 0.000 1.039 623 V CA 1.471 63.753 62.300 -0.030 0.000 1.016 623 V CB -0.185 31.617 31.823 -0.036 0.000 0.650 623 V HN 0.524 nan 8.190 nan 0.000 0.449 624 S N 0.000 115.694 115.700 -0.009 0.000 2.498 624 S HA 0.000 4.471 4.470 0.001 0.000 0.327 624 S CA 0.000 58.204 58.200 0.007 0.000 1.107 624 S CB 0.000 63.204 63.200 0.007 0.000 0.593 624 S HN 0.000 nan 8.310 nan 0.000 0.517