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 3nl2_1_E DATA FIRST_RESID 2 DATA SEQUENCE KFSKEQFDYS LYLVTDSGMI PEGKTLYGQV EAGLQNGVTL VQIREKDADT DATA SEQUENCE KFFIEEALQI KELCHAHNVP LIINDRIDVA MAIGADGIHV GQDDMPIPMI DATA SEQUENCE RKLVGPDMVI GWSVGFPEEV DELSKMGPDM VDYIGVGTLF PTXXXXXXXX DATA SEQUENCE XXMGTAGAIR VLDALERNNA HWCRTVGIGG LHPDNIERVL YQCVSSNGKR DATA SEQUENCE SLDGICVVSD IIASLDAAKS TKILRGLIDK TDYKFVNIGL STKNSLTTTD DATA SEQUENCE EIQSIISNTL KARPLVQHIT NXVHQNFGAN VTLALGSSPI MSEIQSEVND DATA SEQUENCE LAAIPHATLL LNTGSVAPPE MLKAAIRAYN DVKRPIVFDP VGYXXTETRL DATA SEQUENCE LLNNKLLTFG QFSCIKGNSS EILGLAELXX XXXXXXXXXX XXSNELLIQA DATA SEQUENCE TKIVAFKYKT VAVCTGEFDF IADGTIEGKY SLSKGTNGTS VEDIPCVAVE DATA SEQUENCE AGPIXXXXXX XXXGCSLGST IACMIGGQPS EGNLFHAVVA GVMLYKAAGK DATA SEQUENCE IASEKCNGSG SFQVELIDAL YRLTRENTPV TWAPKLTHT VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 K HA 0.000 nan 4.320 nan 0.000 0.191 2 K C 0.000 176.404 176.600 -0.327 0.000 0.988 2 K CA 0.000 56.178 56.287 -0.182 0.000 0.838 2 K CB 0.000 32.466 32.500 -0.057 0.000 1.064 3 F N 1.577 121.503 119.950 -0.040 0.000 2.432 3 F HA 0.661 4.737 4.527 -0.752 0.000 0.329 3 F C 1.389 177.258 175.800 0.115 0.000 1.076 3 F CA -0.392 57.583 58.000 -0.041 0.000 1.018 3 F CB 2.513 41.369 39.000 -0.240 0.000 1.201 3 F HN 0.596 nan 8.300 nan 0.000 0.489 4 S N 0.931 116.807 115.700 0.293 0.000 2.585 4 S HA 0.307 4.325 4.470 -0.755 0.000 0.277 4 S C 0.776 175.606 174.600 0.383 0.000 1.241 4 S CA -0.905 57.452 58.200 0.262 0.000 1.041 4 S CB 1.480 64.771 63.200 0.153 0.000 0.987 4 S HN 0.725 nan 8.310 nan 0.000 0.512 5 K N 1.160 121.733 120.400 0.289 0.000 2.163 5 K HA -0.243 3.624 4.320 -0.755 0.000 0.210 5 K C 1.446 178.229 176.600 0.305 0.000 1.048 5 K CA 2.329 58.747 56.287 0.218 0.000 0.928 5 K CB -0.257 32.303 32.500 0.101 0.000 0.716 5 K HN 0.689 nan 8.250 nan 0.000 0.459 6 E N 0.309 120.658 120.200 0.248 0.000 2.371 6 E HA -0.072 3.825 4.350 -0.755 0.000 0.194 6 E C 1.265 177.976 176.600 0.185 0.000 1.012 6 E CA 0.559 57.081 56.400 0.203 0.000 0.860 6 E CB 0.188 29.977 29.700 0.148 0.000 0.811 6 E HN 0.297 nan 8.360 nan 0.000 0.502 7 Q N -0.448 119.477 119.800 0.207 0.000 2.444 7 Q HA 0.059 3.946 4.340 -0.755 0.000 0.206 7 Q C -0.463 175.497 176.000 -0.066 0.000 0.948 7 Q CA -0.032 55.834 55.803 0.106 0.000 0.946 7 Q CB 0.109 28.955 28.738 0.179 0.000 1.027 7 Q HN 0.209 nan 8.270 nan 0.000 0.513 8 F N 1.689 121.526 119.950 -0.188 0.000 2.466 8 F HA 0.036 4.109 4.527 -0.757 0.000 0.363 8 F C 0.429 175.888 175.800 -0.569 0.000 1.109 8 F CA -0.578 57.122 58.000 -0.501 0.000 1.161 8 F CB 0.515 39.141 39.000 -0.623 0.000 1.117 8 F HN -0.145 nan 8.300 nan 0.000 0.539 9 D N 4.002 124.130 120.400 -0.453 0.000 2.411 9 D HA 0.070 4.257 4.640 -0.755 0.000 0.225 9 D C 0.248 176.333 176.300 -0.359 0.000 1.156 9 D CA -0.117 53.709 54.000 -0.290 0.000 0.874 9 D CB 0.239 40.919 40.800 -0.201 0.000 1.034 9 D HN 0.427 nan 8.370 nan 0.000 0.502 10 Y N 1.721 121.969 120.300 -0.087 0.000 2.529 10 Y HA -0.040 4.057 4.550 -0.755 0.000 0.290 10 Y C 2.394 178.270 175.900 -0.041 0.000 1.177 10 Y CA -0.132 57.895 58.100 -0.121 0.000 1.305 10 Y CB 0.077 38.469 38.460 -0.112 0.000 1.047 10 Y HN 0.295 nan 8.280 nan 0.000 0.522 11 S N 0.673 116.417 115.700 0.074 0.000 2.432 11 S HA -0.249 3.768 4.470 -0.755 0.000 0.266 11 S C 0.627 175.270 174.600 0.072 0.000 1.076 11 S CA 1.518 59.756 58.200 0.064 0.000 1.320 11 S CB -0.641 62.574 63.200 0.024 0.000 1.222 11 S HN 0.268 nan 8.310 nan 0.000 0.439 12 L N 1.327 122.578 121.223 0.047 0.000 2.356 12 L HA 0.418 4.306 4.340 -0.755 0.000 0.264 12 L C -1.382 175.549 176.870 0.101 0.000 1.029 12 L CA -0.573 54.303 54.840 0.060 0.000 0.897 12 L CB 0.629 42.702 42.059 0.024 0.000 1.256 12 L HN 0.311 nan 8.230 nan 0.000 0.444 13 Y N 5.526 125.815 120.300 -0.019 0.000 2.477 13 Y HA 0.386 4.484 4.550 -0.752 0.000 0.349 13 Y C -0.805 175.075 175.900 -0.034 0.000 0.977 13 Y CA -1.318 56.769 58.100 -0.021 0.000 1.214 13 Y CB 1.152 39.621 38.460 0.015 0.000 1.124 13 Y HN 0.580 nan 8.280 nan 0.000 0.521 14 L N 7.887 129.260 121.223 0.250 0.000 2.295 14 L HA 0.394 4.282 4.340 -0.755 0.000 0.288 14 L C -1.103 175.787 176.870 0.032 0.000 1.079 14 L CA -0.164 54.717 54.840 0.067 0.000 0.830 14 L CB 0.318 42.393 42.059 0.028 0.000 1.200 14 L HN 0.338 nan 8.230 nan 0.000 0.438 15 V N 4.539 124.381 119.914 -0.120 0.000 2.385 15 V HA 0.301 3.969 4.120 -0.755 0.000 0.269 15 V C 0.769 176.815 176.094 -0.081 0.000 1.043 15 V CA -0.216 61.994 62.300 -0.151 0.000 0.906 15 V CB 0.950 32.599 31.823 -0.291 0.000 0.995 15 V HN 0.879 nan 8.190 nan 0.000 0.467 16 T N 0.943 115.474 114.554 -0.037 0.000 2.897 16 T HA 0.338 4.235 4.350 -0.755 0.000 0.294 16 T C -0.398 174.278 174.700 -0.040 0.000 1.004 16 T CA -0.618 61.464 62.100 -0.031 0.000 1.106 16 T CB 1.386 70.245 68.868 -0.014 0.000 0.949 16 T HN 0.627 nan 8.240 nan 0.000 0.520 17 D N 2.031 122.410 120.400 -0.036 0.000 2.408 17 D HA 0.255 4.443 4.640 -0.755 0.000 0.261 17 D C 1.106 177.391 176.300 -0.024 0.000 1.190 17 D CA -0.459 53.519 54.000 -0.036 0.000 0.910 17 D CB 1.462 42.242 40.800 -0.033 0.000 1.097 17 D HN 0.542 nan 8.370 nan 0.000 0.522 18 S N 2.058 117.740 115.700 -0.029 0.000 2.380 18 S HA -0.138 3.880 4.470 -0.755 0.000 0.229 18 S C 1.593 176.195 174.600 0.004 0.000 1.043 18 S CA 1.664 59.861 58.200 -0.005 0.000 1.038 18 S CB -0.190 63.008 63.200 -0.003 0.000 0.872 18 S HN 0.584 nan 8.310 nan 0.000 0.456 19 G N 1.449 110.245 108.800 -0.007 0.000 3.455 19 G HA2 0.412 3.919 3.960 -0.755 0.000 0.250 19 G HA3 0.412 3.919 3.960 -0.755 0.000 0.250 19 G C 0.264 175.162 174.900 -0.003 0.000 1.071 19 G CA 0.061 45.159 45.100 -0.004 0.000 1.812 19 G HN 0.704 nan 8.290 nan 0.000 0.643 20 M N -1.618 117.982 119.600 0.001 0.000 5.540 20 M HA 0.350 4.377 4.480 -0.755 0.000 0.662 20 M C -1.125 175.178 176.300 0.005 0.000 2.370 20 M CA -0.357 54.944 55.300 0.002 0.000 0.329 20 M CB -0.442 32.158 32.600 0.000 0.000 1.452 20 M HN -0.119 nan 8.290 nan 0.000 0.702 21 I N 3.196 123.771 120.570 0.009 0.000 2.474 21 I HA 0.429 4.147 4.170 -0.755 0.000 0.287 21 I C -1.905 174.220 176.117 0.012 0.000 1.048 21 I CA -1.666 59.642 61.300 0.013 0.000 1.383 21 I CB 0.813 38.826 38.000 0.023 0.000 1.412 21 I HN 0.117 nan 8.210 nan 0.000 0.531 22 P HA 0.119 nan 4.420 nan 0.000 0.271 22 P C -0.628 176.679 177.300 0.012 0.000 1.218 22 P CA -0.410 62.696 63.100 0.009 0.000 0.780 22 P CB 0.416 32.121 31.700 0.008 0.000 0.901 23 E N 0.948 121.153 120.200 0.009 0.000 2.437 23 E HA 0.175 4.072 4.350 -0.755 0.000 0.263 23 E C 1.145 177.753 176.600 0.013 0.000 1.030 23 E CA 0.920 57.325 56.400 0.010 0.000 0.934 23 E CB -0.126 29.577 29.700 0.006 0.000 0.943 23 E HN 0.809 nan 8.360 nan 0.000 0.444 24 G N 2.282 111.091 108.800 0.015 0.000 2.162 24 G HA2 -0.320 3.187 3.960 -0.755 0.000 0.260 24 G HA3 -0.320 3.187 3.960 -0.755 0.000 0.260 24 G C 0.009 174.924 174.900 0.025 0.000 0.976 24 G CA 0.563 45.674 45.100 0.018 0.000 0.655 24 G HN 0.409 nan 8.290 nan 0.000 0.533 25 K N 0.516 120.933 120.400 0.028 0.000 2.422 25 K HA 0.621 4.489 4.320 -0.755 0.000 0.251 25 K C 0.297 176.926 176.600 0.048 0.000 0.933 25 K CA -0.188 56.121 56.287 0.036 0.000 0.798 25 K CB 1.889 34.407 32.500 0.029 0.000 1.238 25 K HN 0.239 nan 8.250 nan 0.000 0.428 26 T N -0.925 113.669 114.554 0.067 0.000 2.923 26 T HA 0.231 4.128 4.350 -0.755 0.000 0.281 26 T C 0.913 175.665 174.700 0.087 0.000 0.995 26 T CA -0.872 61.281 62.100 0.089 0.000 0.985 26 T CB 0.907 69.850 68.868 0.124 0.000 1.114 26 T HN 0.378 nan 8.240 nan 0.000 0.548 27 L N -0.258 121.024 121.223 0.099 0.000 2.109 27 L HA 0.107 3.994 4.340 -0.755 0.000 0.207 27 L C 2.250 179.165 176.870 0.076 0.000 1.086 27 L CA 1.494 56.377 54.840 0.072 0.000 0.760 27 L CB -1.211 40.889 42.059 0.069 0.000 0.910 27 L HN 0.808 nan 8.230 nan 0.000 0.437 28 Y N 0.023 120.331 120.300 0.012 0.000 2.128 28 Y HA -0.174 3.924 4.550 -0.753 0.000 0.284 28 Y C 2.334 178.236 175.900 0.003 0.000 1.154 28 Y CA 1.998 60.103 58.100 0.007 0.000 1.149 28 Y CB -0.750 37.720 38.460 0.016 0.000 0.976 28 Y HN 0.229 nan 8.280 nan 0.000 0.505 29 G N -0.334 108.579 108.800 0.189 0.000 2.491 29 G HA2 -0.291 3.216 3.960 -0.755 0.000 0.218 29 G HA3 -0.291 3.216 3.960 -0.755 0.000 0.218 29 G C 1.447 176.353 174.900 0.010 0.000 1.180 29 G CA 1.154 46.317 45.100 0.105 0.000 0.774 29 G HN 0.336 nan 8.290 nan 0.000 0.562 30 Q N 0.192 119.991 119.800 -0.000 0.000 1.967 30 Q HA -0.048 3.839 4.340 -0.755 0.000 0.202 30 Q C 3.018 178.972 176.000 -0.076 0.000 0.985 30 Q CA 1.238 57.024 55.803 -0.027 0.000 0.839 30 Q CB -1.264 27.465 28.738 -0.014 0.000 0.906 30 Q HN 0.355 nan 8.270 nan 0.000 0.423 31 V N 1.669 121.520 119.914 -0.105 0.000 2.568 31 V HA -0.261 3.406 4.120 -0.755 0.000 0.253 31 V C 2.305 178.250 176.094 -0.249 0.000 1.072 31 V CA 2.059 64.264 62.300 -0.159 0.000 1.084 31 V CB -0.622 31.104 31.823 -0.162 0.000 0.676 31 V HN 0.444 nan 8.190 nan 0.000 0.469 32 E N 0.519 120.546 120.200 -0.287 0.000 2.016 32 E HA -0.175 3.723 4.350 -0.755 0.000 0.190 32 E C 2.315 178.799 176.600 -0.195 0.000 0.985 32 E CA 1.211 57.425 56.400 -0.311 0.000 0.802 32 E CB -0.330 29.221 29.700 -0.248 0.000 0.762 32 E HN 0.491 nan 8.360 nan 0.000 0.448 33 A N 0.925 123.683 122.820 -0.104 0.000 1.903 33 A HA -0.205 3.662 4.320 -0.755 0.000 0.219 33 A C 2.472 180.012 177.584 -0.072 0.000 1.191 33 A CA 2.159 54.162 52.037 -0.058 0.000 0.638 33 A CB -1.626 17.357 19.000 -0.030 0.000 0.823 33 A HN 0.497 nan 8.150 nan 0.000 0.451 34 G N -0.930 107.817 108.800 -0.090 0.000 2.470 34 G HA2 -0.066 3.442 3.960 -0.755 0.000 0.220 34 G HA3 -0.066 3.442 3.960 -0.755 0.000 0.220 34 G C 1.494 176.329 174.900 -0.108 0.000 1.121 34 G CA 0.968 46.020 45.100 -0.081 0.000 0.766 34 G HN 0.454 nan 8.290 nan 0.000 0.553 35 L N -0.633 120.473 121.223 -0.194 0.000 2.131 35 L HA 0.016 3.903 4.340 -0.755 0.000 0.206 35 L C 3.024 179.816 176.870 -0.129 0.000 1.087 35 L CA 0.694 55.371 54.840 -0.271 0.000 0.767 35 L CB -0.237 41.422 42.059 -0.666 0.000 0.917 35 L HN 0.224 nan 8.230 nan 0.000 0.441 36 Q N -0.178 119.577 119.800 -0.074 0.000 2.291 36 Q HA -0.074 3.813 4.340 -0.755 0.000 0.205 36 Q C 0.919 176.939 176.000 0.034 0.000 0.970 36 Q CA 0.844 56.685 55.803 0.064 0.000 0.876 36 Q CB 0.124 28.906 28.738 0.074 0.000 0.935 36 Q HN 0.547 nan 8.270 nan 0.000 0.455 37 N N -1.850 116.850 118.700 -0.001 0.000 2.177 37 N HA 0.141 4.429 4.740 -0.755 0.000 0.218 37 N C 0.536 176.044 175.510 -0.003 0.000 1.182 37 N CA 0.739 53.790 53.050 0.001 0.000 0.882 37 N CB 2.011 40.496 38.487 -0.002 0.000 1.052 37 N HN 0.262 nan 8.380 nan 0.000 0.519 38 G N 0.329 109.122 108.800 -0.011 0.000 4.205 38 G HA2 -0.157 3.350 3.960 -0.755 0.000 0.200 38 G HA3 -0.157 3.350 3.960 -0.755 0.000 0.200 38 G C -0.152 174.733 174.900 -0.025 0.000 1.190 38 G CA -0.398 44.695 45.100 -0.011 0.000 0.861 38 G HN 0.045 nan 8.290 nan 0.000 0.326 39 V N 3.027 122.919 119.914 -0.037 0.000 2.742 39 V HA 0.259 3.926 4.120 -0.755 0.000 0.302 39 V C 1.706 177.759 176.094 -0.067 0.000 1.133 39 V CA 1.996 64.270 62.300 -0.044 0.000 1.284 39 V CB 0.891 32.680 31.823 -0.057 0.000 0.850 39 V HN 1.017 nan 8.190 nan 0.000 0.494 40 T N 1.861 116.366 114.554 -0.081 0.000 3.091 40 T HA 0.533 4.430 4.350 -0.755 0.000 0.277 40 T C -0.399 174.151 174.700 -0.250 0.000 0.996 40 T CA -0.209 61.805 62.100 -0.144 0.000 0.897 40 T CB 0.183 68.974 68.868 -0.128 0.000 1.109 40 T HN 0.369 nan 8.240 nan 0.000 0.534 41 L N 0.865 121.966 121.223 -0.204 0.000 2.666 41 L HA 0.665 4.553 4.340 -0.755 0.000 0.259 41 L C -1.950 174.881 176.870 -0.064 0.000 0.919 41 L CA -0.610 54.052 54.840 -0.298 0.000 0.927 41 L CB 2.218 43.912 42.059 -0.609 0.000 1.423 41 L HN 0.024 nan 8.230 nan 0.000 0.426 42 V N 4.035 123.936 119.914 -0.022 0.000 2.588 42 V HA 0.604 4.271 4.120 -0.755 0.000 0.304 42 V C -0.631 175.596 176.094 0.222 0.000 1.042 42 V CA -0.486 61.883 62.300 0.116 0.000 0.877 42 V CB 1.821 33.657 31.823 0.021 0.000 0.996 42 V HN 0.827 nan 8.190 nan 0.000 0.425 43 Q N 4.321 124.307 119.800 0.309 0.000 2.333 43 Q HA 0.673 4.560 4.340 -0.755 0.000 0.267 43 Q C -1.544 174.539 176.000 0.139 0.000 1.012 43 Q CA -0.606 55.361 55.803 0.272 0.000 0.824 43 Q CB 1.942 30.859 28.738 0.298 0.000 1.290 43 Q HN 0.740 nan 8.270 nan 0.000 0.449 44 I N 3.615 124.278 120.570 0.154 0.000 2.359 44 I HA 0.441 4.158 4.170 -0.755 0.000 0.294 44 I C -0.157 176.036 176.117 0.128 0.000 0.987 44 I CA -0.628 60.748 61.300 0.125 0.000 1.225 44 I CB 1.518 39.633 38.000 0.192 0.000 1.366 44 I HN 0.563 nan 8.210 nan 0.000 0.466 45 R N 4.862 125.367 120.500 0.007 0.000 2.589 45 R HA 0.556 4.443 4.340 -0.755 0.000 0.293 45 R C -0.956 175.183 176.300 -0.269 0.000 0.963 45 R CA -0.766 55.307 56.100 -0.044 0.000 0.905 45 R CB 1.704 31.978 30.300 -0.043 0.000 1.144 45 R HN 0.387 nan 8.270 nan 0.000 0.459 46 E N 2.361 122.323 120.200 -0.397 0.000 2.759 46 E HA 0.100 3.997 4.350 -0.755 0.000 0.318 46 E C -0.852 175.599 176.600 -0.249 0.000 1.093 46 E CA -0.229 55.807 56.400 -0.605 0.000 0.762 46 E CB 1.286 29.968 29.700 -1.697 0.000 1.543 46 E HN 0.496 nan 8.360 nan 0.000 0.381 47 K N 0.484 120.820 120.400 -0.105 0.000 2.437 47 K HA 0.221 4.088 4.320 -0.755 0.000 0.205 47 K C 0.108 176.707 176.600 -0.002 0.000 1.026 47 K CA 0.070 56.348 56.287 -0.014 0.000 1.153 47 K CB 1.140 33.642 32.500 0.004 0.000 0.863 47 K HN 0.108 nan 8.250 nan 0.000 0.502 48 D N -0.443 119.947 120.400 -0.017 0.000 2.249 48 D HA 0.066 4.253 4.640 -0.755 0.000 0.371 48 D C 0.259 176.569 176.300 0.017 0.000 1.055 48 D CA 0.069 54.071 54.000 0.004 0.000 0.897 48 D CB 0.665 41.463 40.800 -0.004 0.000 1.466 48 D HN 0.130 nan 8.370 nan 0.000 0.516 49 A N 0.790 123.619 122.820 0.016 0.000 2.250 49 A HA 0.314 4.181 4.320 -0.755 0.000 0.283 49 A C -0.041 177.624 177.584 0.134 0.000 1.206 49 A CA -0.071 52.015 52.037 0.083 0.000 0.840 49 A CB 0.381 19.487 19.000 0.177 0.000 1.220 49 A HN -0.176 nan 8.150 nan 0.000 0.505 50 D N 0.550 121.067 120.400 0.195 0.000 2.317 50 D HA 0.226 4.413 4.640 -0.755 0.000 0.252 50 D C 1.381 177.843 176.300 0.270 0.000 1.174 50 D CA 0.812 54.929 54.000 0.194 0.000 0.866 50 D CB 1.226 42.125 40.800 0.164 0.000 1.127 50 D HN 0.613 nan 8.370 nan 0.000 0.467 51 T N 0.438 115.130 114.554 0.231 0.000 3.118 51 T HA -0.207 3.690 4.350 -0.755 0.000 0.269 51 T C 1.253 176.068 174.700 0.191 0.000 1.166 51 T CA 1.201 63.459 62.100 0.264 0.000 1.073 51 T CB 0.074 69.047 68.868 0.175 0.000 0.884 51 T HN 0.367 nan 8.240 nan 0.000 0.550 52 K N -1.082 119.432 120.400 0.190 0.000 2.287 52 K HA 0.135 4.002 4.320 -0.755 0.000 0.199 52 K C 1.813 178.525 176.600 0.187 0.000 1.061 52 K CA 0.140 56.513 56.287 0.143 0.000 0.976 52 K CB -0.225 32.345 32.500 0.116 0.000 0.898 52 K HN 0.336 nan 8.250 nan 0.000 0.492 53 F N 1.525 121.544 119.950 0.115 0.000 2.146 53 F HA -0.141 3.933 4.527 -0.755 0.000 0.298 53 F C 1.798 177.711 175.800 0.189 0.000 1.096 53 F CA 0.924 58.992 58.000 0.113 0.000 1.275 53 F CB -0.401 38.645 39.000 0.078 0.000 1.008 53 F HN 0.034 nan 8.300 nan 0.000 0.480 54 F N 1.781 121.660 119.950 -0.119 0.000 2.045 54 F HA -0.314 3.761 4.527 -0.755 0.000 0.297 54 F C 2.199 177.875 175.800 -0.206 0.000 1.114 54 F CA 1.932 59.822 58.000 -0.183 0.000 1.207 54 F CB -1.191 37.801 39.000 -0.014 0.000 0.964 54 F HN 0.055 nan 8.300 nan 0.000 0.486 55 I N -0.227 120.371 120.570 0.046 0.000 2.454 55 I HA -0.268 3.449 4.170 -0.755 0.000 0.254 55 I C 2.068 178.148 176.117 -0.063 0.000 1.156 55 I CA 1.470 62.715 61.300 -0.091 0.000 1.433 55 I CB -0.582 37.365 38.000 -0.087 0.000 1.082 55 I HN 0.289 nan 8.210 nan 0.000 0.432 56 E N 0.453 120.606 120.200 -0.080 0.000 2.170 56 E HA -0.173 3.724 4.350 -0.755 0.000 0.191 56 E C 2.019 178.547 176.600 -0.120 0.000 0.981 56 E CA 0.515 56.867 56.400 -0.079 0.000 0.830 56 E CB 0.080 29.759 29.700 -0.035 0.000 0.775 56 E HN 0.417 nan 8.360 nan 0.000 0.470 57 E N 0.590 120.643 120.200 -0.245 0.000 2.107 57 E HA -0.136 3.761 4.350 -0.755 0.000 0.191 57 E C 2.015 178.598 176.600 -0.027 0.000 0.982 57 E CA 0.776 57.063 56.400 -0.189 0.000 0.809 57 E CB 0.023 29.502 29.700 -0.369 0.000 0.756 57 E HN 0.206 nan 8.360 nan 0.000 0.459 58 A N 0.981 123.814 122.820 0.021 0.000 1.902 58 A HA -0.156 3.712 4.320 -0.755 0.000 0.217 58 A C 2.150 179.729 177.584 -0.007 0.000 1.181 58 A CA 1.002 53.065 52.037 0.042 0.000 0.623 58 A CB -0.621 18.384 19.000 0.007 0.000 0.818 58 A HN 0.263 nan 8.150 nan 0.000 0.443 59 L N -0.956 120.251 121.223 -0.026 0.000 2.093 59 L HA -0.207 3.680 4.340 -0.755 0.000 0.208 59 L C 2.898 179.768 176.870 0.000 0.000 1.085 59 L CA 1.665 56.489 54.840 -0.027 0.000 0.755 59 L CB -0.440 41.604 42.059 -0.025 0.000 0.904 59 L HN 0.596 nan 8.230 nan 0.000 0.435 60 Q N 0.326 120.139 119.800 0.022 0.000 2.167 60 Q HA -0.181 3.707 4.340 -0.755 0.000 0.202 60 Q C 2.200 178.305 176.000 0.175 0.000 0.970 60 Q CA 1.356 57.205 55.803 0.077 0.000 0.855 60 Q CB 0.152 28.924 28.738 0.057 0.000 0.911 60 Q HN 0.551 nan 8.270 nan 0.000 0.438 61 I N 0.036 120.672 120.570 0.111 0.000 2.852 61 I HA -0.137 3.581 4.170 -0.755 0.000 0.264 61 I C 2.333 178.447 176.117 -0.005 0.000 1.179 61 I CA 0.404 61.746 61.300 0.070 0.000 1.480 61 I CB -0.090 37.931 38.000 0.034 0.000 1.111 61 I HN 0.140 nan 8.210 nan 0.000 0.441 62 K N 1.264 121.635 120.400 -0.048 0.000 2.147 62 K HA -0.189 3.679 4.320 -0.755 0.000 0.205 62 K C 1.791 178.269 176.600 -0.203 0.000 1.049 62 K CA 1.314 57.486 56.287 -0.191 0.000 0.936 62 K CB 0.134 32.485 32.500 -0.248 0.000 0.722 62 K HN 0.323 nan 8.250 nan 0.000 0.446 63 E N 0.732 120.910 120.200 -0.037 0.000 2.072 63 E HA -0.173 3.724 4.350 -0.755 0.000 0.191 63 E C 2.059 178.734 176.600 0.126 0.000 0.985 63 E CA 0.743 57.177 56.400 0.058 0.000 0.801 63 E CB -0.015 29.740 29.700 0.091 0.000 0.750 63 E HN 0.285 nan 8.360 nan 0.000 0.452 64 L N 0.615 121.917 121.223 0.132 0.000 1.989 64 L HA -0.257 3.630 4.340 -0.755 0.000 0.211 64 L C 2.438 179.376 176.870 0.113 0.000 1.071 64 L CA 1.402 56.297 54.840 0.091 0.000 0.749 64 L CB -0.284 41.654 42.059 -0.202 0.000 0.890 64 L HN 0.361 nan 8.230 nan 0.000 0.431 65 C N -0.689 118.636 119.300 0.042 0.000 2.418 65 C HA -0.207 3.800 4.460 -0.755 0.000 0.280 65 C C 2.581 177.724 174.990 0.255 0.000 1.223 65 C CA 0.715 59.784 59.018 0.085 0.000 1.736 65 C CB -1.432 26.331 27.740 0.037 0.000 2.056 65 C HN 0.589 nan 8.230 nan 0.000 0.459 66 H N 0.919 120.058 119.070 0.116 0.000 2.431 66 H HA -0.116 3.987 4.556 -0.755 0.000 0.297 66 H C 2.296 177.682 175.328 0.098 0.000 1.115 66 H CA 1.842 57.965 56.048 0.124 0.000 1.277 66 H CB -0.777 29.034 29.762 0.081 0.000 1.372 66 H HN 0.526 nan 8.280 nan 0.000 0.516 67 A N -0.045 122.918 122.820 0.238 0.000 2.015 67 A HA -0.159 3.708 4.320 -0.755 0.000 0.219 67 A C 1.280 178.880 177.584 0.027 0.000 1.163 67 A CA 1.488 53.600 52.037 0.124 0.000 0.646 67 A CB -0.374 18.705 19.000 0.132 0.000 0.806 67 A HN 0.477 nan 8.150 nan 0.000 0.448 68 H N -1.719 117.381 119.070 0.050 0.000 2.517 68 H HA 0.192 4.296 4.556 -0.754 0.000 0.282 68 H C 0.668 176.019 175.328 0.038 0.000 1.023 68 H CA 0.271 56.334 56.048 0.024 0.000 1.169 68 H CB -0.026 29.734 29.762 -0.003 0.000 1.454 68 H HN 0.554 nan 8.280 nan 0.000 0.556 69 N N 0.051 118.853 118.700 0.169 0.000 2.714 69 N HA -0.191 4.097 4.740 -0.755 0.000 0.250 69 N C -0.766 174.898 175.510 0.257 0.000 1.117 69 N CA 0.784 53.954 53.050 0.199 0.000 0.719 69 N CB -1.108 37.439 38.487 0.099 0.000 1.081 69 N HN 0.276 nan 8.380 nan 0.000 0.557 70 V N -0.466 119.535 119.914 0.144 0.000 2.459 70 V HA 0.769 4.436 4.120 -0.755 0.000 0.295 70 V C -2.208 173.757 176.094 -0.214 0.000 1.029 70 V CA -1.826 60.381 62.300 -0.156 0.000 0.874 70 V CB 1.611 33.356 31.823 -0.130 0.000 0.985 70 V HN 0.009 nan 8.190 nan 0.000 0.438 71 P HA 0.267 nan 4.420 nan 0.000 0.271 71 P C -1.185 176.034 177.300 -0.134 0.000 1.233 71 P CA -0.177 62.590 63.100 -0.555 0.000 0.789 71 P CB 0.523 31.513 31.700 -1.185 0.000 0.951 72 L N 2.280 123.536 121.223 0.056 0.000 2.362 72 L HA 0.543 4.431 4.340 -0.755 0.000 0.275 72 L C -1.063 175.895 176.870 0.148 0.000 0.998 72 L CA -0.292 54.592 54.840 0.074 0.000 0.820 72 L CB 0.802 42.885 42.059 0.040 0.000 1.270 72 L HN 0.232 nan 8.230 nan 0.000 0.415 73 I N 5.223 125.902 120.570 0.182 0.000 2.693 73 I HA 0.493 4.210 4.170 -0.755 0.000 0.303 73 I C -0.832 175.434 176.117 0.249 0.000 1.025 73 I CA -0.744 60.711 61.300 0.258 0.000 1.086 73 I CB 2.248 40.467 38.000 0.365 0.000 1.268 73 I HN 0.510 nan 8.210 nan 0.000 0.440 74 I N 4.042 124.760 120.570 0.247 0.000 2.533 74 I HA 0.297 4.014 4.170 -0.755 0.000 0.290 74 I C -0.632 175.637 176.117 0.254 0.000 1.056 74 I CA -0.305 61.135 61.300 0.234 0.000 1.057 74 I CB 2.119 40.209 38.000 0.150 0.000 1.240 74 I HN 0.556 nan 8.210 nan 0.000 0.423 75 N N 4.170 123.032 118.700 0.270 0.000 2.354 75 N HA 0.356 4.643 4.740 -0.755 0.000 0.287 75 N C -1.391 174.267 175.510 0.246 0.000 1.016 75 N CA -0.550 52.646 53.050 0.245 0.000 0.871 75 N CB 1.392 39.994 38.487 0.192 0.000 1.299 75 N HN 0.671 nan 8.380 nan 0.000 0.482 76 D N 1.890 122.417 120.400 0.212 0.000 2.891 76 D HA 0.165 4.353 4.640 -0.755 0.000 0.332 76 D C -0.534 175.849 176.300 0.139 0.000 1.369 76 D CA -0.383 53.723 54.000 0.177 0.000 0.827 76 D CB 0.253 41.148 40.800 0.159 0.000 1.141 76 D HN 0.229 nan 8.370 nan 0.000 0.464 77 R N 0.853 121.438 120.500 0.143 0.000 2.391 77 R HA 0.289 4.176 4.340 -0.755 0.000 0.310 77 R C 0.427 176.743 176.300 0.027 0.000 1.174 77 R CA -0.532 55.615 56.100 0.079 0.000 1.118 77 R CB 0.557 30.900 30.300 0.071 0.000 1.134 77 R HN 0.126 nan 8.270 nan 0.000 0.524 78 I N 2.044 122.634 120.570 0.034 0.000 2.194 78 I HA -0.379 3.338 4.170 -0.755 0.000 0.246 78 I C 1.985 178.099 176.117 -0.006 0.000 1.093 78 I CA 1.715 63.026 61.300 0.018 0.000 1.355 78 I CB -0.335 37.674 38.000 0.015 0.000 1.046 78 I HN 0.572 nan 8.210 nan 0.000 0.413 79 D N 0.595 120.986 120.400 -0.015 0.000 2.084 79 D HA -0.156 4.031 4.640 -0.755 0.000 0.194 79 D C 2.094 178.352 176.300 -0.070 0.000 0.990 79 D CA 1.488 55.470 54.000 -0.031 0.000 0.826 79 D CB -1.203 39.584 40.800 -0.022 0.000 0.971 79 D HN 0.226 nan 8.370 nan 0.000 0.453 80 V N 1.035 120.872 119.914 -0.128 0.000 2.380 80 V HA -0.238 3.429 4.120 -0.755 0.000 0.251 80 V C 2.717 178.709 176.094 -0.170 0.000 1.063 80 V CA 1.926 64.083 62.300 -0.239 0.000 1.055 80 V CB -1.089 30.411 31.823 -0.538 0.000 0.657 80 V HN 0.449 nan 8.190 nan 0.000 0.455 81 A N -0.588 122.174 122.820 -0.097 0.000 1.854 81 A HA -0.182 3.685 4.320 -0.755 0.000 0.214 81 A C 2.244 179.821 177.584 -0.012 0.000 1.192 81 A CA 2.015 54.032 52.037 -0.033 0.000 0.611 81 A CB -0.474 18.537 19.000 0.018 0.000 0.832 81 A HN 0.449 nan 8.150 nan 0.000 0.442 82 M N -0.315 119.279 119.600 -0.010 0.000 2.108 82 M HA -0.203 3.824 4.480 -0.755 0.000 0.261 82 M C 2.500 178.794 176.300 -0.010 0.000 1.066 82 M CA 1.532 56.831 55.300 -0.001 0.000 1.107 82 M CB -0.437 32.160 32.600 -0.004 0.000 1.356 82 M HN 0.512 nan 8.290 nan 0.000 0.406 83 A N 0.922 123.724 122.820 -0.031 0.000 1.865 83 A HA -0.161 3.707 4.320 -0.755 0.000 0.217 83 A C 1.887 179.451 177.584 -0.033 0.000 1.191 83 A CA 1.902 53.917 52.037 -0.036 0.000 0.623 83 A CB -1.019 17.946 19.000 -0.059 0.000 0.826 83 A HN 0.707 nan 8.150 nan 0.000 0.444 84 I N -3.700 116.842 120.570 -0.047 0.000 3.810 84 I HA 0.491 4.208 4.170 -0.755 0.000 0.322 84 I C 0.969 177.081 176.117 -0.008 0.000 1.288 84 I CA 0.385 61.662 61.300 -0.038 0.000 1.143 84 I CB -0.510 37.450 38.000 -0.068 0.000 1.012 84 I HN 0.390 nan 8.210 nan 0.000 0.423 85 G N 1.866 110.674 108.800 0.014 0.000 2.333 85 G HA2 -0.164 3.343 3.960 -0.755 0.000 0.296 85 G HA3 -0.164 3.343 3.960 -0.755 0.000 0.296 85 G C 0.297 175.247 174.900 0.083 0.000 1.059 85 G CA 0.129 45.260 45.100 0.052 0.000 1.050 85 G HN 0.974 nan 8.290 nan 0.000 0.508 86 A N -0.469 122.394 122.820 0.071 0.000 2.332 86 A HA 0.625 4.492 4.320 -0.755 0.000 0.258 86 A C 1.183 178.873 177.584 0.176 0.000 1.087 86 A CA 0.332 52.432 52.037 0.105 0.000 0.802 86 A CB 0.499 19.545 19.000 0.077 0.000 1.042 86 A HN 0.280 nan 8.150 nan 0.000 0.489 87 D N 0.228 120.775 120.400 0.245 0.000 2.333 87 D HA 0.238 4.426 4.640 -0.755 0.000 0.208 87 D C 0.774 177.286 176.300 0.353 0.000 0.984 87 D CA 1.569 55.777 54.000 0.348 0.000 0.873 87 D CB 0.468 41.517 40.800 0.415 0.000 0.935 87 D HN 0.738 nan 8.370 nan 0.000 0.521 88 G N 0.632 109.594 108.800 0.270 0.000 2.523 88 G HA2 0.510 4.017 3.960 -0.755 0.000 0.291 88 G HA3 0.510 4.017 3.960 -0.755 0.000 0.291 88 G C -1.619 173.412 174.900 0.217 0.000 1.450 88 G CA -0.813 44.424 45.100 0.229 0.000 0.790 88 G HN 0.086 nan 8.290 nan 0.000 0.496 89 I N -1.559 119.126 120.570 0.192 0.000 2.619 89 I HA 0.625 4.343 4.170 -0.755 0.000 0.292 89 I C -1.467 174.774 176.117 0.207 0.000 1.100 89 I CA -0.991 60.424 61.300 0.192 0.000 1.043 89 I CB 2.655 40.723 38.000 0.113 0.000 1.239 89 I HN 0.573 nan 8.210 nan 0.000 0.420 90 H N 6.283 125.464 119.070 0.185 0.000 2.476 90 H HA 0.662 4.766 4.556 -0.755 0.000 0.328 90 H C -1.209 174.199 175.328 0.133 0.000 1.073 90 H CA -0.298 55.849 56.048 0.163 0.000 1.229 90 H CB 2.063 31.973 29.762 0.247 0.000 1.432 90 H HN 0.715 nan 8.280 nan 0.000 0.477 91 V N 2.647 122.569 119.914 0.013 0.000 3.046 91 V HA 0.869 4.536 4.120 -0.755 0.000 0.316 91 V C 0.217 176.419 176.094 0.180 0.000 1.104 91 V CA -0.369 62.022 62.300 0.153 0.000 1.006 91 V CB 1.624 33.526 31.823 0.132 0.000 1.058 91 V HN 0.759 nan 8.190 nan 0.000 0.440 92 G N 0.455 109.364 108.800 0.182 0.000 2.671 92 G HA2 0.438 3.945 3.960 -0.755 0.000 0.275 92 G HA3 0.438 3.945 3.960 -0.755 0.000 0.275 92 G C 0.037 174.975 174.900 0.062 0.000 1.368 92 G CA -0.063 45.088 45.100 0.084 0.000 1.044 92 G HN 0.810 nan 8.290 nan 0.000 0.543 93 Q N -1.089 118.660 119.800 -0.085 0.000 2.245 93 Q HA 0.014 3.901 4.340 -0.755 0.000 0.201 93 Q C 1.273 177.316 176.000 0.071 0.000 0.955 93 Q CA 1.351 57.109 55.803 -0.075 0.000 0.870 93 Q CB 0.181 28.808 28.738 -0.185 0.000 0.945 93 Q HN 0.503 nan 8.270 nan 0.000 0.461 94 D N 0.164 120.597 120.400 0.055 0.000 2.349 94 D HA 0.049 4.236 4.640 -0.755 0.000 0.214 94 D C -0.411 175.937 176.300 0.080 0.000 1.063 94 D CA 0.148 54.184 54.000 0.061 0.000 0.847 94 D CB 0.230 41.053 40.800 0.038 0.000 0.933 94 D HN 0.223 nan 8.370 nan 0.000 0.513 95 D N -0.001 120.467 120.400 0.112 0.000 2.506 95 D HA 0.100 4.287 4.640 -0.755 0.000 0.272 95 D C 0.669 177.034 176.300 0.110 0.000 1.214 95 D CA -0.579 53.487 54.000 0.110 0.000 1.067 95 D CB 0.855 41.730 40.800 0.125 0.000 1.117 95 D HN -0.067 nan 8.370 nan 0.000 0.578 96 M N 1.317 120.965 119.600 0.079 0.000 2.290 96 M HA 0.043 4.070 4.480 -0.755 0.000 0.356 96 M C -2.218 174.102 176.300 0.034 0.000 1.448 96 M CA -0.534 54.795 55.300 0.048 0.000 0.993 96 M CB 0.378 32.994 32.600 0.028 0.000 1.934 96 M HN -0.070 nan 8.290 nan 0.000 0.461 97 P HA -0.115 nan 4.420 nan 0.000 0.264 97 P C 0.571 177.806 177.300 -0.109 0.000 1.173 97 P CA -0.002 63.083 63.100 -0.025 0.000 0.761 97 P CB 0.326 32.014 31.700 -0.020 0.000 0.794 98 I N 5.063 125.492 120.570 -0.235 0.000 2.163 98 I HA -0.102 3.615 4.170 -0.755 0.000 0.240 98 I C -0.578 175.414 176.117 -0.208 0.000 1.081 98 I CA 1.738 62.850 61.300 -0.313 0.000 1.353 98 I CB -2.725 34.927 38.000 -0.579 0.000 1.054 98 I HN 0.366 nan 8.210 nan 0.000 0.407 99 P HA -0.229 nan 4.420 nan 0.000 0.217 99 P C 2.050 179.292 177.300 -0.096 0.000 1.158 99 P CA 1.949 64.972 63.100 -0.129 0.000 0.887 99 P CB -0.188 31.449 31.700 -0.105 0.000 0.792 100 M N -1.303 118.248 119.600 -0.081 0.000 2.082 100 M HA -0.168 3.859 4.480 -0.755 0.000 0.258 100 M C 2.468 178.735 176.300 -0.055 0.000 1.069 100 M CA 1.923 57.190 55.300 -0.056 0.000 1.102 100 M CB -0.922 31.654 32.600 -0.040 0.000 1.336 100 M HN -0.120 nan 8.290 nan 0.000 0.404 101 I N -0.613 119.916 120.570 -0.069 0.000 2.179 101 I HA -0.290 3.427 4.170 -0.755 0.000 0.242 101 I C 2.692 178.773 176.117 -0.060 0.000 1.088 101 I CA 1.120 62.385 61.300 -0.060 0.000 1.357 101 I CB -0.502 37.452 38.000 -0.077 0.000 1.051 101 I HN 0.250 nan 8.210 nan 0.000 0.409 102 R N 1.727 122.178 120.500 -0.083 0.000 2.083 102 R HA -0.188 3.699 4.340 -0.755 0.000 0.237 102 R C 2.150 178.416 176.300 -0.057 0.000 1.137 102 R CA 1.684 57.738 56.100 -0.077 0.000 0.951 102 R CB -0.593 29.646 30.300 -0.102 0.000 0.851 102 R HN 0.194 nan 8.270 nan 0.000 0.434 103 K N -0.068 120.298 120.400 -0.056 0.000 2.089 103 K HA -0.163 3.704 4.320 -0.755 0.000 0.210 103 K C 1.921 178.502 176.600 -0.031 0.000 1.048 103 K CA 1.882 58.143 56.287 -0.042 0.000 0.926 103 K CB -0.173 32.303 32.500 -0.040 0.000 0.714 103 K HN 0.241 nan 8.250 nan 0.000 0.448 104 L N 0.152 121.359 121.223 -0.028 0.000 2.068 104 L HA -0.104 3.783 4.340 -0.755 0.000 0.204 104 L C 2.311 179.173 176.870 -0.013 0.000 1.076 104 L CA 0.770 55.600 54.840 -0.018 0.000 0.753 104 L CB -0.462 41.588 42.059 -0.014 0.000 0.910 104 L HN 0.059 nan 8.230 nan 0.000 0.439 105 V N -2.419 117.487 119.914 -0.014 0.000 3.306 105 V HA 0.358 4.026 4.120 -0.755 0.000 0.264 105 V C 1.172 177.264 176.094 -0.004 0.000 1.149 105 V CA 0.076 62.374 62.300 -0.003 0.000 1.143 105 V CB -1.471 30.354 31.823 0.003 0.000 0.767 105 V HN 0.490 nan 8.190 nan 0.000 0.476 106 G N 1.001 109.792 108.800 -0.016 0.000 2.953 106 G HA2 -0.163 3.345 3.960 -0.755 0.000 0.421 106 G HA3 -0.163 3.345 3.960 -0.755 0.000 0.421 106 G C -2.089 172.802 174.900 -0.016 0.000 1.531 106 G CA -0.247 44.842 45.100 -0.018 0.000 0.971 106 G HN 0.525 nan 8.290 nan 0.000 0.558 107 P HA 0.307 nan 4.420 nan 0.000 0.285 107 P C 0.583 177.888 177.300 0.009 0.000 1.282 107 P CA 0.788 63.878 63.100 -0.017 0.000 0.778 107 P CB 0.188 31.875 31.700 -0.023 0.000 1.222 108 D N -4.640 115.774 120.400 0.023 0.000 2.265 108 D HA -0.156 4.031 4.640 -0.755 0.000 0.165 108 D C 0.200 176.552 176.300 0.087 0.000 1.190 108 D CA 1.381 55.415 54.000 0.057 0.000 1.121 108 D CB -1.358 39.472 40.800 0.051 0.000 1.158 108 D HN 0.333 nan 8.370 nan 0.000 0.481 109 M N 1.263 120.901 119.600 0.062 0.000 2.404 109 M HA 0.435 4.462 4.480 -0.755 0.000 0.338 109 M C -0.607 175.711 176.300 0.031 0.000 1.150 109 M CA -0.777 54.571 55.300 0.081 0.000 1.016 109 M CB 1.907 34.552 32.600 0.075 0.000 1.672 109 M HN -0.205 nan 8.290 nan 0.000 0.448 110 V N 5.865 125.787 119.914 0.013 0.000 2.555 110 V HA 0.233 3.901 4.120 -0.755 0.000 0.286 110 V C -0.008 176.093 176.094 0.012 0.000 1.044 110 V CA 0.038 62.293 62.300 -0.074 0.000 1.026 110 V CB 0.911 32.519 31.823 -0.359 0.000 0.981 110 V HN 0.679 nan 8.190 nan 0.000 0.480 111 I N 4.548 125.097 120.570 -0.034 0.000 2.354 111 I HA 0.472 4.189 4.170 -0.755 0.000 0.286 111 I C 0.756 176.694 176.117 -0.298 0.000 1.007 111 I CA -0.176 61.062 61.300 -0.104 0.000 1.167 111 I CB 1.536 39.453 38.000 -0.138 0.000 1.320 111 I HN 0.700 nan 8.210 nan 0.000 0.458 112 G N 5.318 113.836 108.800 -0.470 0.000 2.348 112 G HA2 0.404 3.912 3.960 -0.755 0.000 0.312 112 G HA3 0.404 3.912 3.960 -0.755 0.000 0.312 112 G C -1.923 172.473 174.900 -0.840 0.000 1.126 112 G CA -0.195 44.173 45.100 -1.220 0.000 0.865 112 G HN 0.510 nan 8.290 nan 0.000 0.474 113 W N 1.355 122.122 121.300 -0.888 0.000 2.819 113 W HA 0.599 4.809 4.660 -0.750 0.000 0.337 113 W C -0.326 175.978 176.519 -0.357 0.000 1.077 113 W CA -1.292 55.730 57.345 -0.540 0.000 1.226 113 W CB 2.214 31.497 29.460 -0.296 0.000 1.419 113 W HN 0.375 nan 8.180 nan 0.000 0.502 114 S N 3.218 118.729 115.700 -0.315 0.000 2.473 114 S HA 0.436 4.453 4.470 -0.755 0.000 0.312 114 S C -0.486 173.859 174.600 -0.425 0.000 1.087 114 S CA -0.473 57.614 58.200 -0.189 0.000 1.077 114 S CB 0.145 63.334 63.200 -0.018 0.000 1.065 114 S HN 0.205 nan 8.310 nan 0.000 0.510 115 V N 2.647 122.370 119.914 -0.317 0.000 2.547 115 V HA 0.684 4.351 4.120 -0.755 0.000 0.299 115 V C 1.093 177.035 176.094 -0.254 0.000 1.040 115 V CA -0.315 61.781 62.300 -0.340 0.000 0.913 115 V CB 1.807 33.487 31.823 -0.239 0.000 0.992 115 V HN 0.904 nan 8.190 nan 0.000 0.449 116 G N 2.693 111.335 108.800 -0.263 0.000 2.797 116 G HA2 0.310 3.817 3.960 -0.755 0.000 0.209 116 G HA3 0.310 3.817 3.960 -0.755 0.000 0.209 116 G C -0.232 174.208 174.900 -0.767 0.000 1.080 116 G CA 0.129 44.930 45.100 -0.498 0.000 0.897 116 G HN 0.444 nan 8.290 nan 0.000 0.641 117 F N -0.699 119.165 119.950 -0.144 0.000 2.588 117 F HA 0.461 4.543 4.527 -0.742 0.000 0.314 117 F C -1.858 173.884 175.800 -0.096 0.000 1.069 117 F CA -2.301 55.633 58.000 -0.109 0.000 0.931 117 F CB 2.147 41.088 39.000 -0.098 0.000 1.260 117 F HN -0.241 nan 8.300 nan 0.000 0.465 118 P HA -0.164 nan 4.420 nan 0.000 0.215 118 P C 1.011 178.345 177.300 0.057 0.000 1.157 118 P CA 1.645 64.773 63.100 0.047 0.000 0.874 118 P CB 0.254 31.975 31.700 0.036 0.000 0.790 119 E N 0.019 120.260 120.200 0.069 0.000 2.147 119 E HA -0.226 3.672 4.350 -0.755 0.000 0.199 119 E C 1.800 178.438 176.600 0.063 0.000 1.005 119 E CA 1.430 57.856 56.400 0.042 0.000 0.810 119 E CB -0.891 28.808 29.700 -0.001 0.000 0.736 119 E HN 0.491 nan 8.360 nan 0.000 0.460 120 E N -0.336 119.901 120.200 0.061 0.000 2.285 120 E HA -0.061 3.837 4.350 -0.755 0.000 0.194 120 E C 1.797 178.491 176.600 0.156 0.000 0.997 120 E CA 0.641 57.077 56.400 0.060 0.000 0.845 120 E CB 0.217 29.832 29.700 -0.142 0.000 0.782 120 E HN 0.097 nan 8.360 nan 0.000 0.491 121 V N 1.668 121.636 119.914 0.090 0.000 2.488 121 V HA -0.183 3.484 4.120 -0.755 0.000 0.246 121 V C 1.568 177.717 176.094 0.093 0.000 1.046 121 V CA 1.489 63.840 62.300 0.084 0.000 1.053 121 V CB -0.335 31.493 31.823 0.008 0.000 0.679 121 V HN 0.175 nan 8.190 nan 0.000 0.458 122 D N 0.530 120.978 120.400 0.080 0.000 2.104 122 D HA -0.197 3.990 4.640 -0.755 0.000 0.194 122 D C 2.155 178.517 176.300 0.104 0.000 0.994 122 D CA 1.584 55.629 54.000 0.075 0.000 0.830 122 D CB -0.155 40.679 40.800 0.056 0.000 0.959 122 D HN 0.558 nan 8.370 nan 0.000 0.452 123 E N 0.560 120.844 120.200 0.140 0.000 2.031 123 E HA -0.133 3.765 4.350 -0.755 0.000 0.193 123 E C 2.340 179.023 176.600 0.138 0.000 0.994 123 E CA 0.299 56.788 56.400 0.150 0.000 0.800 123 E CB -0.272 29.566 29.700 0.231 0.000 0.752 123 E HN 0.215 nan 8.360 nan 0.000 0.447 124 L N 0.781 122.140 121.223 0.226 0.000 2.197 124 L HA -0.240 3.648 4.340 -0.755 0.000 0.215 124 L C 1.978 178.983 176.870 0.224 0.000 1.095 124 L CA 1.369 56.315 54.840 0.177 0.000 0.764 124 L CB -0.032 42.204 42.059 0.294 0.000 0.897 124 L HN 0.029 nan 8.230 nan 0.000 0.436 125 S N -0.450 115.377 115.700 0.211 0.000 2.421 125 S HA -0.030 3.988 4.470 -0.755 0.000 0.224 125 S C 1.654 176.388 174.600 0.224 0.000 1.035 125 S CA 0.583 58.967 58.200 0.306 0.000 0.953 125 S CB 0.062 63.366 63.200 0.173 0.000 0.810 125 S HN 0.413 nan 8.310 nan 0.000 0.497 126 K N 1.237 121.709 120.400 0.121 0.000 2.442 126 K HA 0.064 3.931 4.320 -0.755 0.000 0.199 126 K C 1.386 177.996 176.600 0.018 0.000 1.044 126 K CA 0.881 57.205 56.287 0.062 0.000 0.941 126 K CB -0.220 32.305 32.500 0.042 0.000 0.759 126 K HN 0.416 nan 8.250 nan 0.000 0.472 127 M N -0.099 119.510 119.600 0.015 0.000 2.441 127 M HA 0.122 4.149 4.480 -0.755 0.000 0.244 127 M C 0.873 177.080 176.300 -0.154 0.000 1.122 127 M CA 0.132 55.391 55.300 -0.069 0.000 1.041 127 M CB 0.261 32.799 32.600 -0.102 0.000 1.438 127 M HN 0.228 nan 8.290 nan 0.000 0.484 128 G N 1.817 110.519 108.800 -0.164 0.000 2.749 128 G HA2 -0.209 3.298 3.960 -0.755 0.000 0.242 128 G HA3 -0.209 3.298 3.960 -0.755 0.000 0.242 128 G C -2.950 171.281 174.900 -1.115 0.000 1.364 128 G CA -1.115 43.650 45.100 -0.559 0.000 0.888 128 G HN 0.158 nan 8.290 nan 0.000 0.566 129 P HA 0.453 nan 4.420 nan 0.000 0.275 129 P C 0.828 177.724 177.300 -0.674 0.000 1.266 129 P CA 1.637 63.813 63.100 -1.540 0.000 0.793 129 P CB -0.041 31.040 31.700 -1.033 0.000 1.074 130 D N -3.199 116.933 120.400 -0.447 0.000 3.006 130 D HA -0.259 3.929 4.640 -0.755 0.000 0.208 130 D C 0.879 177.061 176.300 -0.198 0.000 1.116 130 D CA 1.824 55.687 54.000 -0.227 0.000 0.998 130 D CB -1.943 38.750 40.800 -0.178 0.000 1.124 130 D HN 0.127 nan 8.370 nan 0.000 0.413 131 M N -0.493 118.962 119.600 -0.241 0.000 1.907 131 M HA 0.419 4.446 4.480 -0.755 0.000 0.174 131 M C 1.493 177.716 176.300 -0.128 0.000 1.396 131 M CA 0.256 55.446 55.300 -0.185 0.000 1.131 131 M CB -0.769 31.712 32.600 -0.198 0.000 0.867 131 M HN 0.329 nan 8.290 nan 0.000 0.432 132 V N 2.562 122.439 119.914 -0.061 0.000 2.508 132 V HA 0.032 3.699 4.120 -0.755 0.000 0.281 132 V C 0.375 176.548 176.094 0.132 0.000 1.041 132 V CA 0.085 62.370 62.300 -0.026 0.000 1.016 132 V CB 0.365 32.183 31.823 -0.009 0.000 0.984 132 V HN 0.446 nan 8.190 nan 0.000 0.478 133 D N 2.757 123.181 120.400 0.039 0.000 2.389 133 D HA 0.169 4.357 4.640 -0.755 0.000 0.206 133 D C -0.225 176.170 176.300 0.158 0.000 1.055 133 D CA 0.747 54.825 54.000 0.129 0.000 0.856 133 D CB 0.672 41.516 40.800 0.072 0.000 0.957 133 D HN 0.713 nan 8.370 nan 0.000 0.509 134 Y N -0.287 119.989 120.300 -0.040 0.000 2.583 134 Y HA 0.370 4.465 4.550 -0.758 0.000 0.330 134 Y C -2.004 173.869 175.900 -0.045 0.000 1.185 134 Y CA -1.771 56.243 58.100 -0.145 0.000 1.107 134 Y CB 0.161 38.409 38.460 -0.354 0.000 1.344 134 Y HN -0.169 nan 8.280 nan 0.000 0.463 135 I N 0.944 121.522 120.570 0.012 0.000 2.646 135 I HA 0.998 4.715 4.170 -0.755 0.000 0.299 135 I C -0.017 176.211 176.117 0.186 0.000 1.036 135 I CA -1.256 60.036 61.300 -0.013 0.000 1.074 135 I CB 2.493 40.490 38.000 -0.005 0.000 1.258 135 I HN 1.064 nan 8.210 nan 0.000 0.430 136 G N 4.463 113.398 108.800 0.225 0.000 2.320 136 G HA2 0.497 4.004 3.960 -0.755 0.000 0.300 136 G HA3 0.497 4.004 3.960 -0.755 0.000 0.300 136 G C -0.141 174.773 174.900 0.024 0.000 1.126 136 G CA -0.571 44.653 45.100 0.206 0.000 0.896 136 G HN 0.752 nan 8.290 nan 0.000 0.436 137 V N 2.636 122.530 119.914 -0.035 0.000 2.405 137 V HA 0.676 4.343 4.120 -0.755 0.000 0.264 137 V C 1.214 177.208 176.094 -0.166 0.000 1.048 137 V CA -0.139 62.092 62.300 -0.115 0.000 0.966 137 V CB -0.228 31.520 31.823 -0.126 0.000 1.015 137 V HN 1.620 nan 8.190 nan 0.000 0.477 138 G N 5.210 113.885 108.800 -0.208 0.000 2.561 138 G HA2 -0.221 3.286 3.960 -0.755 0.000 0.360 138 G HA3 -0.221 3.286 3.960 -0.755 0.000 0.360 138 G C 0.097 174.877 174.900 -0.199 0.000 1.328 138 G CA 0.232 45.179 45.100 -0.255 0.000 0.918 138 G HN 1.383 nan 8.290 nan 0.000 0.542 139 T N 1.401 115.833 114.554 -0.203 0.000 2.801 139 T HA 0.509 4.407 4.350 -0.755 0.000 0.306 139 T C 1.831 176.389 174.700 -0.236 0.000 1.020 139 T CA -0.287 61.715 62.100 -0.163 0.000 0.948 139 T CB 1.203 70.014 68.868 -0.096 0.000 0.962 139 T HN 0.521 nan 8.240 nan 0.000 0.465 140 L N 1.751 122.782 121.223 -0.321 0.000 2.012 140 L HA 0.018 3.905 4.340 -0.755 0.000 0.210 140 L C 0.101 176.498 176.870 -0.789 0.000 1.073 140 L CA 1.654 56.107 54.840 -0.645 0.000 0.748 140 L CB -0.190 41.387 42.059 -0.804 0.000 0.891 140 L HN 0.477 nan 8.230 nan 0.000 0.431 141 F N -1.969 117.957 119.950 -0.039 0.000 2.603 141 F HA 0.472 4.980 4.527 -0.031 0.000 0.317 141 F C -2.182 173.621 175.800 0.005 0.000 1.066 141 F CA -3.068 54.931 58.000 -0.002 0.000 0.941 141 F CB 0.193 39.206 39.000 0.021 0.000 1.291 141 F HN -0.356 nan 8.300 nan 0.000 0.472 142 P HA 0.202 nan 4.420 nan 0.000 0.269 142 P C -0.370 177.003 177.300 0.121 0.000 1.209 142 P CA 0.063 63.240 63.100 0.129 0.000 0.776 142 P CB 0.881 32.653 31.700 0.120 0.000 0.876 155 G N 1.658 110.255 108.800 -0.337 0.000 2.740 155 G HA2 -0.333 3.174 3.960 -0.755 0.000 0.250 155 G HA3 -0.333 3.174 3.960 -0.755 0.000 0.250 155 G C 0.523 175.211 174.900 -0.353 0.000 1.358 155 G CA 1.392 46.231 45.100 -0.434 0.000 0.897 155 G HN 1.111 nan 8.290 nan 0.000 0.567 156 T N -1.752 112.642 114.554 -0.265 0.000 2.759 156 T HA 0.083 3.980 4.350 -0.755 0.000 0.269 156 T C 2.726 177.321 174.700 -0.175 0.000 1.042 156 T CA 2.892 64.874 62.100 -0.196 0.000 1.140 156 T CB -0.650 68.148 68.868 -0.117 0.000 0.864 156 T HN 2.027 nan 8.240 nan 0.000 0.455 157 A N 2.094 124.844 122.820 -0.118 0.000 1.892 157 A HA 0.117 3.985 4.320 -0.755 0.000 0.218 157 A C 2.761 180.263 177.584 -0.137 0.000 1.188 157 A CA 1.936 53.906 52.037 -0.112 0.000 0.631 157 A CB -1.648 17.370 19.000 0.030 0.000 0.822 157 A HN 0.632 nan 8.150 nan 0.000 0.447 158 G N -1.138 107.568 108.800 -0.157 0.000 2.448 158 G HA2 0.111 3.618 3.960 -0.755 0.000 0.218 158 G HA3 0.111 3.618 3.960 -0.755 0.000 0.218 158 G C 1.648 176.424 174.900 -0.207 0.000 1.135 158 G CA 1.277 46.265 45.100 -0.188 0.000 0.784 158 G HN 0.793 nan 8.290 nan 0.000 0.543 159 A N 0.903 123.596 122.820 -0.213 0.000 1.873 159 A HA 0.094 3.961 4.320 -0.755 0.000 0.215 159 A C 2.345 179.837 177.584 -0.153 0.000 1.186 159 A CA 1.093 53.014 52.037 -0.195 0.000 0.616 159 A CB -0.362 18.518 19.000 -0.201 0.000 0.823 159 A HN 0.330 nan 8.150 nan 0.000 0.442 160 I N -0.619 119.860 120.570 -0.152 0.000 2.118 160 I HA -0.341 3.376 4.170 -0.755 0.000 0.241 160 I C 2.738 178.794 176.117 -0.101 0.000 1.070 160 I CA 1.714 62.938 61.300 -0.126 0.000 1.327 160 I CB -0.329 37.578 38.000 -0.154 0.000 1.034 160 I HN 0.289 nan 8.210 nan 0.000 0.405 161 R N -0.087 120.351 120.500 -0.104 0.000 2.139 161 R HA -0.168 3.720 4.340 -0.755 0.000 0.243 161 R C 2.219 178.476 176.300 -0.071 0.000 1.145 161 R CA 1.360 57.414 56.100 -0.076 0.000 0.976 161 R CB -0.372 29.888 30.300 -0.067 0.000 0.866 161 R HN 0.281 nan 8.270 nan 0.000 0.449 162 V N 1.058 120.915 119.914 -0.095 0.000 2.302 162 V HA -0.187 3.480 4.120 -0.755 0.000 0.243 162 V C 2.248 178.293 176.094 -0.080 0.000 1.036 162 V CA 1.457 63.704 62.300 -0.089 0.000 1.020 162 V CB -0.323 31.429 31.823 -0.119 0.000 0.657 162 V HN 0.279 nan 8.190 nan 0.000 0.453 163 L N -0.015 121.157 121.223 -0.085 0.000 2.129 163 L HA -0.251 3.636 4.340 -0.755 0.000 0.212 163 L C 2.255 179.088 176.870 -0.062 0.000 1.087 163 L CA 1.593 56.389 54.840 -0.074 0.000 0.757 163 L CB -0.738 41.282 42.059 -0.065 0.000 0.896 163 L HN 0.375 nan 8.230 nan 0.000 0.434 164 D N -0.086 120.281 120.400 -0.055 0.000 2.149 164 D HA -0.090 4.097 4.640 -0.755 0.000 0.201 164 D C 2.226 178.500 176.300 -0.043 0.000 0.972 164 D CA 1.360 55.334 54.000 -0.044 0.000 0.835 164 D CB 0.085 40.861 40.800 -0.039 0.000 0.966 164 D HN 0.292 nan 8.370 nan 0.000 0.476 165 A N 0.359 123.152 122.820 -0.045 0.000 1.968 165 A HA -0.036 3.831 4.320 -0.755 0.000 0.217 165 A C 2.208 179.757 177.584 -0.059 0.000 1.169 165 A CA 0.505 52.519 52.037 -0.038 0.000 0.638 165 A CB -0.626 18.359 19.000 -0.025 0.000 0.812 165 A HN 0.223 nan 8.150 nan 0.000 0.446 166 L N -1.095 120.078 121.223 -0.084 0.000 2.549 166 L HA -0.130 3.758 4.340 -0.755 0.000 0.230 166 L C 2.302 179.098 176.870 -0.124 0.000 1.162 166 L CA 1.245 56.005 54.840 -0.135 0.000 0.834 166 L CB -0.103 41.868 42.059 -0.148 0.000 0.947 166 L HN 0.453 nan 8.230 nan 0.000 0.452 167 E N -0.328 119.826 120.200 -0.076 0.000 2.288 167 E HA -0.064 3.833 4.350 -0.755 0.000 0.200 167 E C 2.101 178.680 176.600 -0.035 0.000 0.880 167 E CA 0.118 56.486 56.400 -0.054 0.000 0.971 167 E CB 0.103 29.778 29.700 -0.041 0.000 0.954 167 E HN 0.105 nan 8.360 nan 0.000 0.489 168 R N 0.420 120.901 120.500 -0.031 0.000 2.159 168 R HA -0.087 3.801 4.340 -0.755 0.000 0.237 168 R C 0.696 176.991 176.300 -0.008 0.000 1.131 168 R CA 1.812 57.902 56.100 -0.017 0.000 0.982 168 R CB -0.208 30.083 30.300 -0.015 0.000 0.868 168 R HN 0.068 nan 8.270 nan 0.000 0.453 169 N N 0.395 119.083 118.700 -0.020 0.000 2.280 169 N HA -0.032 4.255 4.740 -0.755 0.000 0.192 169 N C -0.649 174.860 175.510 -0.001 0.000 1.109 169 N CA 0.026 53.072 53.050 -0.006 0.000 0.855 169 N CB 0.310 38.785 38.487 -0.021 0.000 0.974 169 N HN 0.195 nan 8.380 nan 0.000 0.482 170 N N 1.058 119.750 118.700 -0.014 0.000 2.666 170 N HA -0.251 4.036 4.740 -0.755 0.000 0.274 170 N C -0.775 174.703 175.510 -0.053 0.000 1.043 170 N CA 0.560 53.619 53.050 0.015 0.000 0.782 170 N CB -0.859 37.686 38.487 0.097 0.000 0.912 170 N HN 0.285 nan 8.380 nan 0.000 0.556 171 A N 3.160 125.775 122.820 -0.342 0.000 3.260 171 A HA 0.129 3.997 4.320 -0.755 0.000 0.268 171 A C 1.563 178.640 177.584 -0.845 0.000 1.491 171 A CA 0.079 51.489 52.037 -1.045 0.000 1.181 171 A CB -0.566 17.762 19.000 -1.120 0.000 1.137 171 A HN 0.728 nan 8.150 nan 0.000 0.642 172 H N -1.091 117.821 119.070 -0.262 0.000 2.472 172 H HA -0.261 3.842 4.556 -0.755 0.000 0.296 172 H C 1.412 176.733 175.328 -0.013 0.000 1.120 172 H CA 1.963 57.972 56.048 -0.066 0.000 1.250 172 H CB -0.469 29.341 29.762 0.081 0.000 1.366 172 H HN 0.917 nan 8.280 nan 0.000 0.524 173 W N 1.054 122.051 121.300 -0.506 0.000 2.863 173 W HA 0.285 4.495 4.660 -0.751 0.000 0.258 173 W C 0.344 176.791 176.519 -0.120 0.000 1.298 173 W CA -0.631 56.533 57.345 -0.300 0.000 1.451 173 W CB -0.580 28.627 29.460 -0.421 0.000 1.107 173 W HN 0.168 nan 8.180 nan 0.000 0.641 174 C N 5.447 124.400 119.300 -0.579 0.000 2.239 174 C HA 0.511 4.518 4.460 -0.755 0.000 0.325 174 C C 0.778 175.646 174.990 -0.204 0.000 1.231 174 C CA -1.241 57.554 59.018 -0.372 0.000 1.652 174 C CB -0.524 26.849 27.740 -0.611 0.000 2.284 174 C HN 0.180 nan 8.230 nan 0.000 0.499 175 R N 3.318 123.752 120.500 -0.110 0.000 2.580 175 R HA 0.609 4.496 4.340 -0.755 0.000 0.267 175 R C 0.223 176.418 176.300 -0.175 0.000 1.125 175 R CA -0.059 55.938 56.100 -0.171 0.000 1.188 175 R CB 0.431 30.542 30.300 -0.314 0.000 1.155 175 R HN 0.852 nan 8.270 nan 0.000 0.586 176 T N -2.633 111.809 114.554 -0.186 0.000 2.952 176 T HA 0.539 4.436 4.350 -0.755 0.000 0.305 176 T C -0.255 174.396 174.700 -0.082 0.000 1.064 176 T CA -0.959 61.085 62.100 -0.093 0.000 1.008 176 T CB 1.514 70.340 68.868 -0.069 0.000 1.078 176 T HN 0.400 nan 8.240 nan 0.000 0.459 177 V N -0.435 119.490 119.914 0.018 0.000 2.680 177 V HA 0.985 4.652 4.120 -0.755 0.000 0.309 177 V C 0.488 176.598 176.094 0.027 0.000 1.052 177 V CA -0.859 61.475 62.300 0.058 0.000 0.908 177 V CB 1.364 33.299 31.823 0.186 0.000 1.001 177 V HN 1.285 nan 8.190 nan 0.000 0.431 178 G N 2.799 111.593 108.800 -0.010 0.000 2.415 178 G HA2 0.630 4.137 3.960 -0.755 0.000 0.269 178 G HA3 0.630 4.137 3.960 -0.755 0.000 0.269 178 G C -0.880 173.982 174.900 -0.064 0.000 1.209 178 G CA -0.437 44.630 45.100 -0.055 0.000 0.835 178 G HN 1.081 nan 8.290 nan 0.000 0.534 179 I N 0.212 120.725 120.570 -0.095 0.000 2.827 179 I HA 0.642 4.359 4.170 -0.755 0.000 0.298 179 I C -0.134 175.920 176.117 -0.106 0.000 1.235 179 I CA -0.264 60.971 61.300 -0.109 0.000 1.021 179 I CB 2.170 40.092 38.000 -0.129 0.000 1.259 179 I HN 1.180 nan 8.210 nan 0.000 0.427 180 G N 4.326 113.075 108.800 -0.084 0.000 2.992 180 G HA2 0.377 3.885 3.960 -0.755 0.000 0.677 180 G HA3 0.377 3.885 3.960 -0.755 0.000 0.677 180 G C 0.357 175.293 174.900 0.059 0.000 1.191 180 G CA -0.355 44.721 45.100 -0.041 0.000 1.178 180 G HN 1.823 nan 8.290 nan 0.000 0.506 181 G N -0.634 108.186 108.800 0.033 0.000 2.198 181 G HA2 0.010 3.518 3.960 -0.755 0.000 0.257 181 G HA3 0.010 3.518 3.960 -0.755 0.000 0.257 181 G C 0.313 175.259 174.900 0.077 0.000 1.042 181 G CA 0.447 45.622 45.100 0.125 0.000 0.791 181 G HN 1.564 nan 8.290 nan 0.000 0.502 182 L N 1.838 122.973 121.223 -0.147 0.000 2.281 182 L HA 0.594 4.481 4.340 -0.755 0.000 0.285 182 L C 0.659 177.231 176.870 -0.497 0.000 1.074 182 L CA -0.418 54.324 54.840 -0.163 0.000 0.817 182 L CB 0.527 42.527 42.059 -0.099 0.000 1.168 182 L HN 0.338 nan 8.230 nan 0.000 0.434 183 H N 3.639 122.678 119.070 -0.052 0.000 2.941 183 H HA 0.342 4.431 4.556 -0.779 0.000 0.344 183 H C -1.907 173.374 175.328 -0.078 0.000 1.235 183 H CA -1.583 54.427 56.048 -0.065 0.000 1.149 183 H CB 1.250 30.965 29.762 -0.078 0.000 1.885 183 H HN 0.187 nan 8.280 nan 0.000 0.558 184 P HA -0.119 nan 4.420 nan 0.000 0.220 184 P C 0.564 177.849 177.300 -0.026 0.000 1.148 184 P CA 1.504 64.606 63.100 0.003 0.000 0.803 184 P CB -0.042 31.664 31.700 0.010 0.000 0.782 185 D N -1.287 119.101 120.400 -0.020 0.000 2.371 185 D HA -0.087 4.100 4.640 -0.755 0.000 0.234 185 D C 0.809 177.048 176.300 -0.101 0.000 1.049 185 D CA 0.368 54.333 54.000 -0.058 0.000 0.907 185 D CB -0.878 39.874 40.800 -0.080 0.000 0.891 185 D HN 0.203 nan 8.370 nan 0.000 0.531 186 N N -0.852 117.778 118.700 -0.118 0.000 1.903 186 N HA -0.034 4.253 4.740 -0.755 0.000 0.220 186 N C 0.535 175.961 175.510 -0.141 0.000 1.427 186 N CA -0.305 52.646 53.050 -0.165 0.000 0.697 186 N CB -1.119 37.186 38.487 -0.305 0.000 1.097 186 N HN 0.253 nan 8.380 nan 0.000 0.564 187 I N 1.705 122.187 120.570 -0.146 0.000 2.286 187 I HA -0.161 3.556 4.170 -0.755 0.000 0.245 187 I C 2.106 178.041 176.117 -0.303 0.000 1.104 187 I CA 1.448 62.655 61.300 -0.156 0.000 1.397 187 I CB 0.099 38.031 38.000 -0.114 0.000 1.072 187 I HN 0.250 nan 8.210 nan 0.000 0.417 188 E N 0.839 120.773 120.200 -0.443 0.000 2.106 188 E HA -0.295 3.602 4.350 -0.755 0.000 0.192 188 E C 2.173 178.245 176.600 -0.881 0.000 0.984 188 E CA 0.959 56.878 56.400 -0.802 0.000 0.806 188 E CB -0.492 28.706 29.700 -0.837 0.000 0.750 188 E HN 0.456 nan 8.360 nan 0.000 0.458 189 R N 1.510 121.598 120.500 -0.686 0.000 2.096 189 R HA -0.111 3.776 4.340 -0.755 0.000 0.235 189 R C 2.203 178.435 176.300 -0.114 0.000 1.127 189 R CA 1.120 57.072 56.100 -0.246 0.000 0.968 189 R CB -0.152 30.116 30.300 -0.053 0.000 0.861 189 R HN 0.076 nan 8.270 nan 0.000 0.440 190 V N 1.011 120.848 119.914 -0.128 0.000 2.307 190 V HA -0.209 3.458 4.120 -0.755 0.000 0.245 190 V C 2.251 178.265 176.094 -0.134 0.000 1.045 190 V CA 1.225 63.482 62.300 -0.071 0.000 1.024 190 V CB -0.397 31.425 31.823 -0.002 0.000 0.651 190 V HN 0.276 nan 8.190 nan 0.000 0.449 191 L N -0.773 120.312 121.223 -0.231 0.000 2.042 191 L HA -0.223 3.664 4.340 -0.755 0.000 0.210 191 L C 2.230 179.026 176.870 -0.123 0.000 1.076 191 L CA 2.136 56.836 54.840 -0.234 0.000 0.749 191 L CB -1.224 40.541 42.059 -0.489 0.000 0.893 191 L HN 0.513 nan 8.230 nan 0.000 0.432 192 Y N 0.498 120.593 120.300 -0.341 0.000 2.163 192 Y HA -0.279 3.808 4.550 -0.772 0.000 0.288 192 Y C 2.451 178.307 175.900 -0.073 0.000 1.136 192 Y CA 1.650 59.697 58.100 -0.090 0.000 1.147 192 Y CB 0.205 38.665 38.460 -0.000 0.000 0.987 192 Y HN 0.453 nan 8.280 nan 0.000 0.509 193 Q N -1.561 118.068 119.800 -0.285 0.000 2.319 193 Q HA 0.139 4.027 4.340 -0.755 0.000 0.209 193 Q C 0.385 176.217 176.000 -0.280 0.000 0.884 193 Q CA 0.096 55.641 55.803 -0.431 0.000 0.938 193 Q CB -0.117 28.362 28.738 -0.432 0.000 1.098 193 Q HN 0.265 nan 8.270 nan 0.000 0.517 194 C N 3.308 122.501 119.300 -0.178 0.000 2.756 194 C HA 0.415 4.422 4.460 -0.755 0.000 0.504 194 C C 0.322 175.256 174.990 -0.094 0.000 1.028 194 C CA -0.863 58.073 59.018 -0.137 0.000 1.167 194 C CB -1.735 25.936 27.740 -0.114 0.000 1.444 194 C HN 0.379 nan 8.230 nan 0.000 0.577 195 V N 0.559 120.414 119.914 -0.099 0.000 2.962 195 V HA 0.710 4.377 4.120 -0.755 0.000 0.313 195 V C 0.085 176.198 176.094 0.031 0.000 1.099 195 V CA -0.557 61.733 62.300 -0.017 0.000 0.971 195 V CB 1.563 33.393 31.823 0.012 0.000 1.028 195 V HN 0.375 nan 8.190 nan 0.000 0.430 196 S N 1.878 117.611 115.700 0.055 0.000 2.569 196 S HA 0.125 4.142 4.470 -0.755 0.000 0.274 196 S C 1.368 176.040 174.600 0.120 0.000 1.353 196 S CA 0.541 58.768 58.200 0.046 0.000 1.023 196 S CB 0.985 64.196 63.200 0.018 0.000 0.876 196 S HN 1.006 nan 8.310 nan 0.000 0.540 197 S N 1.804 117.536 115.700 0.054 0.000 2.481 197 S HA -0.065 3.952 4.470 -0.755 0.000 0.231 197 S C 1.267 175.788 174.600 -0.132 0.000 0.996 197 S CA 1.044 59.260 58.200 0.028 0.000 0.942 197 S CB -0.512 62.679 63.200 -0.016 0.000 0.768 197 S HN 0.875 nan 8.310 nan 0.000 0.520 198 N N 0.371 119.020 118.700 -0.086 0.000 2.276 198 N HA 0.230 4.517 4.740 -0.755 0.000 0.212 198 N C 0.979 176.435 175.510 -0.091 0.000 1.127 198 N CA 0.640 53.615 53.050 -0.125 0.000 0.834 198 N CB -0.374 38.067 38.487 -0.077 0.000 1.014 198 N HN 0.199 nan 8.380 nan 0.000 0.491 199 G N 0.590 109.379 108.800 -0.019 0.000 2.238 199 G HA2 -0.435 3.072 3.960 -0.755 0.000 0.270 199 G HA3 -0.435 3.072 3.960 -0.755 0.000 0.270 199 G C 1.032 175.976 174.900 0.074 0.000 0.977 199 G CA 0.875 46.037 45.100 0.103 0.000 0.639 199 G HN 0.497 nan 8.290 nan 0.000 0.544 200 K N -0.304 120.114 120.400 0.030 0.000 2.432 200 K HA 0.073 3.941 4.320 -0.755 0.000 0.196 200 K C 1.248 177.865 176.600 0.029 0.000 1.038 200 K CA 0.519 56.821 56.287 0.024 0.000 0.986 200 K CB 0.189 32.692 32.500 0.005 0.000 0.782 200 K HN 0.432 nan 8.250 nan 0.000 0.485 201 R N 0.641 121.160 120.500 0.031 0.000 2.564 201 R HA 0.139 4.026 4.340 -0.755 0.000 0.284 201 R C -1.028 175.287 176.300 0.025 0.000 1.031 201 R CA -0.238 55.874 56.100 0.020 0.000 0.904 201 R CB 1.712 32.007 30.300 -0.008 0.000 1.199 201 R HN 0.023 nan 8.270 nan 0.000 0.443 202 S N 3.932 119.648 115.700 0.027 0.000 2.837 202 S HA 0.540 4.557 4.470 -0.755 0.000 0.314 202 S C -0.135 174.469 174.600 0.006 0.000 1.098 202 S CA -0.945 57.268 58.200 0.021 0.000 0.903 202 S CB 0.740 63.972 63.200 0.053 0.000 1.310 202 S HN 0.470 nan 8.310 nan 0.000 0.581 203 L N 1.363 122.589 121.223 0.004 0.000 2.410 203 L HA 0.260 4.148 4.340 -0.755 0.000 0.273 203 L C 0.221 177.105 176.870 0.024 0.000 1.152 203 L CA -0.135 54.703 54.840 -0.004 0.000 0.855 203 L CB 0.234 42.284 42.059 -0.015 0.000 1.129 203 L HN 0.760 nan 8.230 nan 0.000 0.463 204 D N 1.457 121.864 120.400 0.012 0.000 2.347 204 D HA 0.150 4.338 4.640 -0.755 0.000 0.215 204 D C 0.779 177.142 176.300 0.105 0.000 0.976 204 D CA 0.670 54.702 54.000 0.053 0.000 0.884 204 D CB 0.473 41.284 40.800 0.018 0.000 0.915 204 D HN 0.725 nan 8.370 nan 0.000 0.526 205 G N -0.650 108.200 108.800 0.084 0.000 2.340 205 G HA2 0.450 3.957 3.960 -0.755 0.000 0.299 205 G HA3 0.450 3.957 3.960 -0.755 0.000 0.299 205 G C -1.853 173.095 174.900 0.080 0.000 1.291 205 G CA -0.871 44.294 45.100 0.109 0.000 0.841 205 G HN 0.013 nan 8.290 nan 0.000 0.500 206 I N -0.115 120.504 120.570 0.082 0.000 2.498 206 I HA 0.367 4.085 4.170 -0.755 0.000 0.290 206 I C -0.533 175.607 176.117 0.039 0.000 1.032 206 I CA -0.648 60.672 61.300 0.034 0.000 1.073 206 I CB 2.223 40.223 38.000 -0.000 0.000 1.251 206 I HN 0.473 nan 8.210 nan 0.000 0.426 207 C N 6.766 126.047 119.300 -0.033 0.000 2.246 207 C HA 0.441 4.449 4.460 -0.755 0.000 0.329 207 C C 0.403 175.310 174.990 -0.137 0.000 1.221 207 C CA -0.714 58.228 59.018 -0.127 0.000 1.697 207 C CB -0.121 27.464 27.740 -0.259 0.000 2.312 207 C HN 0.469 nan 8.230 nan 0.000 0.509 208 V N 3.969 123.812 119.914 -0.117 0.000 2.612 208 V HA 0.833 4.500 4.120 -0.755 0.000 0.301 208 V C -0.094 175.923 176.094 -0.129 0.000 1.046 208 V CA -0.187 62.030 62.300 -0.138 0.000 0.946 208 V CB 1.382 33.142 31.823 -0.105 0.000 1.003 208 V HN 0.609 nan 8.190 nan 0.000 0.459 209 V N 2.377 122.211 119.914 -0.132 0.000 4.213 209 V HA 0.077 3.744 4.120 -0.755 0.000 0.179 209 V C 2.220 178.283 176.094 -0.050 0.000 1.148 209 V CA 1.073 63.318 62.300 -0.092 0.000 1.346 209 V CB 0.059 31.826 31.823 -0.093 0.000 1.703 209 V HN 0.972 nan 8.190 nan 0.000 0.525 210 S N 0.103 115.789 115.700 -0.023 0.000 2.547 210 S HA -0.171 3.846 4.470 -0.755 0.000 0.235 210 S C 1.171 175.814 174.600 0.072 0.000 0.980 210 S CA 1.757 59.982 58.200 0.042 0.000 0.941 210 S CB -0.395 62.867 63.200 0.103 0.000 0.763 210 S HN 0.641 nan 8.310 nan 0.000 0.532 211 D N 0.609 121.029 120.400 0.032 0.000 2.327 211 D HA 0.274 4.461 4.640 -0.755 0.000 0.205 211 D C 1.498 177.812 176.300 0.023 0.000 0.989 211 D CA 0.524 54.562 54.000 0.064 0.000 0.873 211 D CB 0.103 40.923 40.800 0.034 0.000 0.955 211 D HN 0.463 nan 8.370 nan 0.000 0.515 212 I N -0.387 120.181 120.570 -0.003 0.000 3.443 212 I HA -0.036 3.681 4.170 -0.755 0.000 0.277 212 I C 1.598 177.711 176.117 -0.007 0.000 1.169 212 I CA -0.098 61.197 61.300 -0.009 0.000 1.419 212 I CB 0.293 38.280 38.000 -0.022 0.000 1.331 212 I HN -0.052 nan 8.210 nan 0.000 0.458 213 I N 1.909 122.473 120.570 -0.010 0.000 2.127 213 I HA -0.251 3.467 4.170 -0.755 0.000 0.241 213 I C 2.569 178.687 176.117 0.002 0.000 1.075 213 I CA 1.925 63.221 61.300 -0.007 0.000 1.334 213 I CB -1.330 36.664 38.000 -0.011 0.000 1.040 213 I HN 0.156 nan 8.210 nan 0.000 0.405 214 A N -0.191 122.634 122.820 0.008 0.000 2.238 214 A HA 0.031 3.898 4.320 -0.755 0.000 0.208 214 A C 1.381 178.971 177.584 0.010 0.000 1.177 214 A CA 0.168 52.211 52.037 0.011 0.000 0.804 214 A CB -0.430 18.579 19.000 0.016 0.000 0.823 214 A HN 0.335 nan 8.150 nan 0.000 0.482 215 S N -0.382 115.324 115.700 0.010 0.000 2.533 215 S HA 0.304 4.321 4.470 -0.755 0.000 0.282 215 S C 1.055 175.658 174.600 0.005 0.000 1.304 215 S CA -0.483 57.721 58.200 0.008 0.000 1.063 215 S CB 0.189 63.393 63.200 0.007 0.000 0.881 215 S HN 0.382 nan 8.310 nan 0.000 0.493 216 L N 2.938 124.164 121.223 0.004 0.000 2.291 216 L HA 0.159 4.046 4.340 -0.755 0.000 0.214 216 L C 0.756 177.629 176.870 0.005 0.000 1.120 216 L CA 0.736 55.579 54.840 0.004 0.000 0.799 216 L CB -0.030 42.030 42.059 0.002 0.000 0.925 216 L HN 0.576 nan 8.230 nan 0.000 0.446 217 D N -0.680 119.723 120.400 0.004 0.000 2.400 217 D HA 0.301 4.489 4.640 -0.755 0.000 0.272 217 D C 0.774 177.075 176.300 0.002 0.000 1.220 217 D CA -0.008 53.995 54.000 0.004 0.000 0.897 217 D CB 1.306 42.108 40.800 0.004 0.000 1.134 217 D HN 0.015 nan 8.370 nan 0.000 0.507 218 A N 2.423 125.243 122.820 0.001 0.000 1.972 218 A HA 0.049 3.916 4.320 -0.755 0.000 0.219 218 A C 2.131 179.710 177.584 -0.008 0.000 1.169 218 A CA 1.674 53.708 52.037 -0.005 0.000 0.635 218 A CB -0.264 18.730 19.000 -0.011 0.000 0.810 218 A HN 0.539 nan 8.150 nan 0.000 0.446 219 A N -0.091 122.726 122.820 -0.004 0.000 1.902 219 A HA -0.167 3.700 4.320 -0.755 0.000 0.217 219 A C 2.135 179.719 177.584 -0.001 0.000 1.181 219 A CA 1.972 54.007 52.037 -0.003 0.000 0.623 219 A CB -0.410 18.592 19.000 0.003 0.000 0.818 219 A HN 0.556 nan 8.150 nan 0.000 0.443 220 K N -0.457 119.943 120.400 0.002 0.000 2.001 220 K HA -0.082 3.785 4.320 -0.755 0.000 0.208 220 K C 2.249 178.850 176.600 0.003 0.000 1.048 220 K CA 1.449 57.737 56.287 0.003 0.000 0.932 220 K CB -0.265 32.236 32.500 0.003 0.000 0.715 220 K HN 0.363 nan 8.250 nan 0.000 0.437 221 S N 0.214 115.915 115.700 0.002 0.000 2.402 221 S HA -0.140 3.877 4.470 -0.755 0.000 0.233 221 S C 1.753 176.354 174.600 0.001 0.000 1.030 221 S CA 1.888 60.091 58.200 0.005 0.000 1.003 221 S CB -0.309 62.895 63.200 0.007 0.000 0.813 221 S HN 0.475 nan 8.310 nan 0.000 0.477 222 T N 1.498 116.050 114.554 -0.003 0.000 2.851 222 T HA 0.013 3.910 4.350 -0.755 0.000 0.262 222 T C 2.426 177.125 174.700 -0.001 0.000 1.043 222 T CA 1.563 63.660 62.100 -0.006 0.000 1.140 222 T CB -0.460 68.400 68.868 -0.015 0.000 0.872 222 T HN 0.571 nan 8.240 nan 0.000 0.446 223 K N 1.471 121.871 120.400 0.001 0.000 2.103 223 K HA -0.025 3.843 4.320 -0.755 0.000 0.207 223 K C 2.125 178.729 176.600 0.008 0.000 1.048 223 K CA 1.524 57.814 56.287 0.005 0.000 0.930 223 K CB -1.324 31.180 32.500 0.006 0.000 0.716 223 K HN 0.495 nan 8.250 nan 0.000 0.444 224 I N 0.409 120.983 120.570 0.007 0.000 2.127 224 I HA -0.261 3.456 4.170 -0.755 0.000 0.241 224 I C 2.521 178.644 176.117 0.010 0.000 1.075 224 I CA 1.441 62.746 61.300 0.009 0.000 1.334 224 I CB -0.194 37.811 38.000 0.008 0.000 1.040 224 I HN 0.238 nan 8.210 nan 0.000 0.405 225 L N -0.216 121.010 121.223 0.005 0.000 2.191 225 L HA -0.171 3.716 4.340 -0.755 0.000 0.212 225 L C 2.674 179.551 176.870 0.012 0.000 1.103 225 L CA 0.691 55.532 54.840 0.002 0.000 0.769 225 L CB -0.595 41.460 42.059 -0.006 0.000 0.908 225 L HN 0.218 nan 8.230 nan 0.000 0.438 226 R N 0.534 121.042 120.500 0.013 0.000 2.062 226 R HA -0.034 3.853 4.340 -0.755 0.000 0.229 226 R C 2.302 178.619 176.300 0.029 0.000 1.128 226 R CA 1.348 57.460 56.100 0.019 0.000 0.960 226 R CB -1.174 29.134 30.300 0.013 0.000 0.855 226 R HN 0.358 nan 8.270 nan 0.000 0.432 227 G N 0.970 109.785 108.800 0.025 0.000 2.469 227 G HA2 -0.244 3.263 3.960 -0.755 0.000 0.220 227 G HA3 -0.244 3.263 3.960 -0.755 0.000 0.220 227 G C 1.302 176.232 174.900 0.051 0.000 1.136 227 G CA 0.688 45.807 45.100 0.031 0.000 0.759 227 G HN 0.188 nan 8.290 nan 0.000 0.562 228 L N 0.252 121.506 121.223 0.051 0.000 2.109 228 L HA 0.212 4.099 4.340 -0.755 0.000 0.207 228 L C 2.773 179.722 176.870 0.131 0.000 1.086 228 L CA 0.833 55.719 54.840 0.076 0.000 0.760 228 L CB -0.483 41.587 42.059 0.017 0.000 0.910 228 L HN 0.204 nan 8.230 nan 0.000 0.437 229 I N 0.112 120.736 120.570 0.091 0.000 2.353 229 I HA -0.217 3.500 4.170 -0.755 0.000 0.248 229 I C 1.039 177.243 176.117 0.146 0.000 1.119 229 I CA 1.241 62.609 61.300 0.114 0.000 1.417 229 I CB -0.246 37.791 38.000 0.063 0.000 1.078 229 I HN 0.388 nan 8.210 nan 0.000 0.421 230 D N -0.247 120.208 120.400 0.092 0.000 2.402 230 D HA 0.056 4.243 4.640 -0.755 0.000 0.216 230 D C 0.618 176.931 176.300 0.022 0.000 1.128 230 D CA -0.280 53.754 54.000 0.057 0.000 0.833 230 D CB -0.054 40.767 40.800 0.035 0.000 0.971 230 D HN 0.071 nan 8.370 nan 0.000 0.503 231 K N -0.033 120.390 120.400 0.037 0.000 2.118 231 K HA 0.342 4.209 4.320 -0.755 0.000 0.240 231 K C 0.525 176.969 176.600 -0.259 0.000 1.035 231 K CA 0.188 56.450 56.287 -0.043 0.000 0.899 231 K CB 0.645 33.168 32.500 0.040 0.000 1.085 231 K HN 0.081 nan 8.250 nan 0.000 0.498 232 T N -2.317 112.007 114.554 -0.384 0.000 3.130 232 T HA 0.217 4.114 4.350 -0.755 0.000 0.288 232 T C -0.838 173.490 174.700 -0.620 0.000 0.936 232 T CA -0.583 61.131 62.100 -0.643 0.000 0.897 232 T CB 0.185 68.871 68.868 -0.303 0.000 1.178 232 T HN 0.395 nan 8.240 nan 0.000 0.543 233 D N 1.785 121.956 120.400 -0.381 0.000 2.425 233 D HA 0.231 4.419 4.640 -0.755 0.000 0.240 233 D C -1.575 174.783 176.300 0.097 0.000 1.080 233 D CA -0.448 53.466 54.000 -0.143 0.000 0.836 233 D CB 1.567 42.324 40.800 -0.072 0.000 1.125 233 D HN 0.140 nan 8.370 nan 0.000 0.525 234 Y N 2.901 123.196 120.300 -0.009 0.000 2.804 234 Y HA 0.133 4.236 4.550 -0.745 0.000 0.330 234 Y C 0.030 175.908 175.900 -0.037 0.000 1.092 234 Y CA -0.997 57.128 58.100 0.042 0.000 1.315 234 Y CB 0.298 38.706 38.460 -0.087 0.000 1.188 234 Y HN -0.018 nan 8.280 nan 0.000 0.512 235 K N 7.021 127.404 120.400 -0.029 0.000 2.121 235 K HA -0.002 3.865 4.320 -0.755 0.000 0.235 235 K C 0.560 176.943 176.600 -0.362 0.000 1.200 235 K CA 0.081 56.225 56.287 -0.238 0.000 1.115 235 K CB -0.832 31.595 32.500 -0.122 0.000 1.474 235 K HN 0.745 nan 8.250 nan 0.000 0.295 236 F N -0.264 119.301 119.950 -0.641 0.000 2.615 236 F HA 0.126 4.210 4.527 -0.738 0.000 0.297 236 F C 0.564 176.203 175.800 -0.268 0.000 1.124 236 F CA -0.509 57.059 58.000 -0.721 0.000 1.451 236 F CB 0.265 38.573 39.000 -1.154 0.000 1.103 236 F HN -0.059 nan 8.300 nan 0.000 0.569 237 V N 1.525 121.053 119.914 -0.644 0.000 2.760 237 V HA 0.352 4.019 4.120 -0.755 0.000 0.309 237 V C -0.794 175.134 176.094 -0.276 0.000 1.077 237 V CA -0.964 61.142 62.300 -0.324 0.000 0.910 237 V CB 1.749 33.406 31.823 -0.277 0.000 1.008 237 V HN 0.183 nan 8.190 nan 0.000 0.424 238 N N 5.747 124.367 118.700 -0.133 0.000 3.210 238 N HA 0.350 4.637 4.740 -0.755 0.000 0.314 238 N C -0.765 174.697 175.510 -0.081 0.000 1.291 238 N CA 0.363 53.351 53.050 -0.103 0.000 1.202 238 N CB -0.767 37.679 38.487 -0.069 0.000 1.475 238 N HN 0.611 nan 8.380 nan 0.000 0.554 239 I N -1.176 119.324 120.570 -0.115 0.000 2.913 239 I HA 0.341 4.058 4.170 -0.755 0.000 0.302 239 I C 0.681 176.741 176.117 -0.096 0.000 1.246 239 I CA -1.591 59.667 61.300 -0.070 0.000 1.010 239 I CB 2.040 40.013 38.000 -0.044 0.000 1.259 239 I HN 0.079 nan 8.210 nan 0.000 0.434 240 G N 3.437 112.209 108.800 -0.047 0.000 2.353 240 G HA2 0.317 3.824 3.960 -0.755 0.000 0.239 240 G HA3 0.317 3.824 3.960 -0.755 0.000 0.239 240 G C 0.188 175.055 174.900 -0.054 0.000 1.295 240 G CA -0.032 45.041 45.100 -0.044 0.000 0.884 240 G HN 0.613 nan 8.290 nan 0.000 0.537 241 L N 1.694 122.878 121.223 -0.066 0.000 2.906 241 L HA 0.143 4.030 4.340 -0.755 0.000 0.255 241 L C 1.086 177.949 176.870 -0.011 0.000 1.166 241 L CA -0.223 54.589 54.840 -0.047 0.000 0.977 241 L CB 0.177 42.179 42.059 -0.095 0.000 1.313 241 L HN 0.387 nan 8.230 nan 0.000 0.549 242 S N 0.555 116.249 115.700 -0.011 0.000 2.561 242 S HA -0.017 4.000 4.470 -0.755 0.000 0.294 242 S C 0.556 175.153 174.600 -0.005 0.000 1.294 242 S CA 0.209 58.409 58.200 -0.000 0.000 1.055 242 S CB 0.362 63.567 63.200 0.009 0.000 0.819 242 S HN 0.168 nan 8.310 nan 0.000 0.503 243 T N 5.204 119.756 114.554 -0.003 0.000 2.761 243 T HA 0.191 4.088 4.350 -0.755 0.000 0.296 243 T C 0.030 174.732 174.700 0.004 0.000 0.934 243 T CA -0.458 61.627 62.100 -0.025 0.000 1.091 243 T CB 0.181 69.039 68.868 -0.016 0.000 0.896 243 T HN 0.276 nan 8.240 nan 0.000 0.515 244 K N 3.757 124.161 120.400 0.006 0.000 2.307 244 K HA 0.360 4.227 4.320 -0.755 0.000 0.263 244 K C 0.478 177.185 176.600 0.179 0.000 0.973 244 K CA -0.684 55.666 56.287 0.104 0.000 0.846 244 K CB 1.497 34.014 32.500 0.029 0.000 1.100 244 K HN 0.447 nan 8.250 nan 0.000 0.438 245 N N 0.223 119.037 118.700 0.189 0.000 2.348 245 N HA -0.009 4.279 4.740 -0.755 0.000 0.183 245 N C -0.227 175.476 175.510 0.321 0.000 1.094 245 N CA 0.023 53.215 53.050 0.237 0.000 0.885 245 N CB 0.519 39.096 38.487 0.150 0.000 1.065 245 N HN 0.269 nan 8.380 nan 0.000 0.472 246 S N 2.440 118.295 115.700 0.259 0.000 2.498 246 S HA 0.103 4.120 4.470 -0.755 0.000 0.281 246 S C 0.383 175.126 174.600 0.238 0.000 1.265 246 S CA -0.451 57.890 58.200 0.236 0.000 1.071 246 S CB 0.343 63.646 63.200 0.171 0.000 0.894 246 S HN 0.101 nan 8.310 nan 0.000 0.491 247 L N 3.665 124.981 121.223 0.155 0.000 2.605 247 L HA -0.030 3.858 4.340 -0.755 0.000 0.296 247 L C 1.120 177.996 176.870 0.010 0.000 1.255 247 L CA 0.875 55.732 54.840 0.029 0.000 0.879 247 L CB -0.552 41.472 42.059 -0.059 0.000 1.124 247 L HN 0.598 nan 8.230 nan 0.000 0.507 248 T N 2.707 117.235 114.554 -0.043 0.000 2.793 248 T HA 0.164 4.062 4.350 -0.755 0.000 0.289 248 T C 0.632 175.206 174.700 -0.211 0.000 0.956 248 T CA -0.174 61.780 62.100 -0.243 0.000 1.177 248 T CB -0.339 68.408 68.868 -0.201 0.000 0.897 248 T HN 0.806 nan 8.240 nan 0.000 0.533 249 T N 1.345 115.753 114.554 -0.244 0.000 2.868 249 T HA 0.127 4.025 4.350 -0.755 0.000 0.292 249 T C 1.728 176.313 174.700 -0.192 0.000 1.028 249 T CA -0.635 61.363 62.100 -0.170 0.000 1.059 249 T CB 0.840 69.627 68.868 -0.135 0.000 0.991 249 T HN 0.413 nan 8.240 nan 0.000 0.531 250 T N 1.396 115.843 114.554 -0.178 0.000 2.665 250 T HA -0.140 3.758 4.350 -0.755 0.000 0.268 250 T C 1.445 176.016 174.700 -0.215 0.000 1.035 250 T CA 1.955 63.918 62.100 -0.228 0.000 1.151 250 T CB -0.642 68.099 68.868 -0.212 0.000 0.862 250 T HN 0.718 nan 8.240 nan 0.000 0.438 251 D N 0.579 120.882 120.400 -0.162 0.000 2.178 251 D HA -0.047 4.140 4.640 -0.755 0.000 0.201 251 D C 2.199 178.418 176.300 -0.134 0.000 0.980 251 D CA 0.913 54.833 54.000 -0.133 0.000 0.842 251 D CB -0.212 40.530 40.800 -0.098 0.000 0.948 251 D HN 0.530 nan 8.370 nan 0.000 0.472 252 E N 0.134 120.236 120.200 -0.163 0.000 2.028 252 E HA -0.064 3.833 4.350 -0.755 0.000 0.191 252 E C 2.333 178.842 176.600 -0.151 0.000 0.988 252 E CA 0.382 56.678 56.400 -0.174 0.000 0.799 252 E CB -0.013 29.498 29.700 -0.314 0.000 0.755 252 E HN 0.234 nan 8.360 nan 0.000 0.447 253 I N 1.169 121.630 120.570 -0.181 0.000 2.194 253 I HA -0.369 3.348 4.170 -0.755 0.000 0.246 253 I C 2.751 178.790 176.117 -0.130 0.000 1.093 253 I CA 1.395 62.606 61.300 -0.148 0.000 1.355 253 I CB -0.332 37.534 38.000 -0.224 0.000 1.046 253 I HN 0.229 nan 8.210 nan 0.000 0.413 254 Q N 0.270 119.968 119.800 -0.171 0.000 2.084 254 Q HA -0.229 3.658 4.340 -0.755 0.000 0.202 254 Q C 2.329 178.285 176.000 -0.074 0.000 0.978 254 Q CA 2.125 57.848 55.803 -0.134 0.000 0.844 254 Q CB -0.036 28.613 28.738 -0.149 0.000 0.898 254 Q HN 0.334 nan 8.270 nan 0.000 0.426 255 S N -0.372 115.286 115.700 -0.070 0.000 2.406 255 S HA -0.047 3.971 4.470 -0.755 0.000 0.228 255 S C 1.815 176.400 174.600 -0.025 0.000 1.020 255 S CA 0.690 58.864 58.200 -0.043 0.000 0.965 255 S CB -0.169 63.008 63.200 -0.038 0.000 0.798 255 S HN 0.405 nan 8.310 nan 0.000 0.488 256 I N 1.742 122.299 120.570 -0.021 0.000 2.099 256 I HA -0.209 3.508 4.170 -0.755 0.000 0.239 256 I C 2.211 178.331 176.117 0.006 0.000 1.066 256 I CA 1.585 62.887 61.300 0.003 0.000 1.324 256 I CB -1.276 36.733 38.000 0.016 0.000 1.037 256 I HN 0.338 nan 8.210 nan 0.000 0.401 257 I N 0.631 121.210 120.570 0.016 0.000 2.208 257 I HA -0.272 3.445 4.170 -0.755 0.000 0.245 257 I C 2.739 178.855 176.117 -0.002 0.000 1.097 257 I CA 1.202 62.519 61.300 0.028 0.000 1.363 257 I CB -0.407 37.636 38.000 0.072 0.000 1.051 257 I HN 0.174 nan 8.210 nan 0.000 0.413 258 S N 0.704 116.395 115.700 -0.015 0.000 2.370 258 S HA -0.180 3.837 4.470 -0.755 0.000 0.226 258 S C 1.830 176.409 174.600 -0.036 0.000 1.033 258 S CA 1.379 59.563 58.200 -0.026 0.000 1.011 258 S CB -0.370 62.813 63.200 -0.029 0.000 0.852 258 S HN 0.451 nan 8.310 nan 0.000 0.457 259 N N 0.642 119.321 118.700 -0.036 0.000 2.106 259 N HA -0.099 4.188 4.740 -0.755 0.000 0.188 259 N C 2.100 177.557 175.510 -0.089 0.000 1.029 259 N CA 1.787 54.802 53.050 -0.059 0.000 0.848 259 N CB -0.682 37.782 38.487 -0.039 0.000 1.007 259 N HN 0.544 nan 8.380 nan 0.000 0.423 260 T N 0.537 115.058 114.554 -0.055 0.000 2.915 260 T HA 0.025 3.922 4.350 -0.755 0.000 0.269 260 T C 2.146 176.816 174.700 -0.050 0.000 1.071 260 T CA 0.498 62.566 62.100 -0.053 0.000 1.132 260 T CB -0.072 68.789 68.868 -0.012 0.000 0.878 260 T HN 0.081 nan 8.240 nan 0.000 0.479 261 L N 0.216 121.414 121.223 -0.042 0.000 2.044 261 L HA 0.087 3.974 4.340 -0.755 0.000 0.205 261 L C 2.976 179.820 176.870 -0.045 0.000 1.075 261 L CA 1.553 56.370 54.840 -0.038 0.000 0.747 261 L CB -0.443 41.592 42.059 -0.040 0.000 0.903 261 L HN 0.270 nan 8.230 nan 0.000 0.435 262 K N 0.277 120.642 120.400 -0.058 0.000 2.217 262 K HA -0.104 3.764 4.320 -0.755 0.000 0.202 262 K C 1.787 178.335 176.600 -0.087 0.000 1.051 262 K CA 1.152 57.403 56.287 -0.059 0.000 0.952 262 K CB 0.105 32.571 32.500 -0.055 0.000 0.736 262 K HN 0.268 nan 8.250 nan 0.000 0.453 263 A N 0.853 123.582 122.820 -0.151 0.000 2.195 263 A HA 0.050 3.917 4.320 -0.755 0.000 0.210 263 A C 0.651 178.161 177.584 -0.122 0.000 1.165 263 A CA 0.218 52.099 52.037 -0.259 0.000 0.806 263 A CB -0.184 18.422 19.000 -0.657 0.000 0.847 263 A HN 0.478 nan 8.150 nan 0.000 0.482 264 R N -0.526 119.939 120.500 -0.059 0.000 3.038 264 R HA -0.137 3.750 4.340 -0.755 0.000 0.242 264 R C -2.533 173.786 176.300 0.031 0.000 0.866 264 R CA 0.358 56.456 56.100 -0.002 0.000 0.601 264 R CB -1.587 28.722 30.300 0.014 0.000 1.107 264 R HN 0.251 nan 8.270 nan 0.000 0.492 265 P HA -0.023 nan 4.420 nan 0.000 0.268 265 P C -0.554 176.805 177.300 0.098 0.000 1.205 265 P CA -0.325 62.831 63.100 0.092 0.000 0.771 265 P CB 0.571 32.319 31.700 0.080 0.000 0.858 266 L N 5.162 126.457 121.223 0.121 0.000 2.260 266 L HA 0.311 4.198 4.340 -0.755 0.000 0.289 266 L C -0.985 175.966 176.870 0.136 0.000 1.057 266 L CA -0.216 54.697 54.840 0.121 0.000 0.811 266 L CB 0.492 42.622 42.059 0.119 0.000 1.184 266 L HN 0.033 nan 8.230 nan 0.000 0.429 267 V N 5.820 125.813 119.914 0.133 0.000 2.311 267 V HA 0.317 3.984 4.120 -0.755 0.000 0.275 267 V C 0.191 176.376 176.094 0.153 0.000 1.022 267 V CA -0.526 61.837 62.300 0.104 0.000 0.830 267 V CB 0.864 32.742 31.823 0.092 0.000 1.012 267 V HN 0.856 nan 8.190 nan 0.000 0.452 268 Q N 3.710 123.567 119.800 0.095 0.000 2.296 268 Q HA 0.195 4.083 4.340 -0.755 0.000 0.263 268 Q C -0.826 175.186 176.000 0.019 0.000 1.026 268 Q CA -0.212 55.662 55.803 0.119 0.000 0.912 268 Q CB 0.348 29.178 28.738 0.153 0.000 1.198 268 Q HN 0.781 nan 8.270 nan 0.000 0.407 269 H N 4.102 123.183 119.070 0.019 0.000 2.594 269 H HA 0.334 4.439 4.556 -0.752 0.000 0.304 269 H C -0.738 174.601 175.328 0.018 0.000 1.068 269 H CA -0.298 55.752 56.048 0.003 0.000 1.308 269 H CB 0.654 30.421 29.762 0.008 0.000 1.409 269 H HN 0.564 nan 8.280 nan 0.000 0.460 270 I N 3.763 124.375 120.570 0.071 0.000 2.388 270 I HA 0.255 3.973 4.170 -0.755 0.000 0.281 270 I C 0.252 176.407 176.117 0.063 0.000 1.046 270 I CA -0.100 61.245 61.300 0.075 0.000 1.187 270 I CB 0.667 38.705 38.000 0.063 0.000 1.351 270 I HN 0.522 nan 8.210 nan 0.000 0.472 271 T N 3.358 117.967 114.554 0.093 0.000 2.754 271 T HA 0.405 4.302 4.350 -0.755 0.000 0.296 271 T C -0.398 174.368 174.700 0.110 0.000 1.205 271 T CA -0.734 61.423 62.100 0.095 0.000 1.009 271 T CB 1.109 70.052 68.868 0.125 0.000 1.368 271 T HN 0.568 nan 8.240 nan 0.000 0.509 275 H N 1.536 120.658 119.070 0.086 0.000 2.551 275 H HA 0.242 4.346 4.556 -0.754 0.000 0.266 275 H C 2.166 177.538 175.328 0.073 0.000 0.977 275 H CA 1.070 57.188 56.048 0.117 0.000 1.163 275 H CB 0.145 29.958 29.762 0.084 0.000 1.381 275 H HN 0.429 nan 8.280 nan 0.000 0.581 276 Q N 0.978 120.851 119.800 0.123 0.000 1.935 276 Q HA -0.223 3.664 4.340 -0.755 0.000 0.212 276 Q C 1.994 178.011 176.000 0.027 0.000 1.008 276 Q CA 1.675 57.511 55.803 0.054 0.000 0.868 276 Q CB -0.638 28.122 28.738 0.037 0.000 0.946 276 Q HN 0.421 nan 8.270 nan 0.000 0.418 277 N N 0.115 118.847 118.700 0.053 0.000 2.043 277 N HA -0.154 4.134 4.740 -0.755 0.000 0.193 277 N C 1.520 177.112 175.510 0.136 0.000 1.037 277 N CA 1.037 54.123 53.050 0.060 0.000 0.851 277 N CB -0.433 38.084 38.487 0.050 0.000 1.027 277 N HN 0.127 nan 8.380 nan 0.000 0.422 278 F N 1.019 120.967 119.950 -0.004 0.000 2.069 278 F HA 0.015 4.089 4.527 -0.754 0.000 0.298 278 F C 2.252 178.066 175.800 0.023 0.000 1.113 278 F CA 1.745 59.759 58.000 0.024 0.000 1.214 278 F CB -1.100 37.940 39.000 0.066 0.000 0.978 278 F HN 0.110 nan 8.300 nan 0.000 0.474 279 G N -0.660 108.123 108.800 -0.029 0.000 2.432 279 G HA2 -0.176 3.332 3.960 -0.755 0.000 0.219 279 G HA3 -0.176 3.332 3.960 -0.755 0.000 0.219 279 G C 1.806 176.536 174.900 -0.283 0.000 1.135 279 G CA 0.887 45.879 45.100 -0.180 0.000 0.767 279 G HN 0.619 nan 8.290 nan 0.000 0.550 280 A N 0.774 123.431 122.820 -0.273 0.000 2.015 280 A HA 0.011 3.878 4.320 -0.755 0.000 0.219 280 A C 2.124 179.648 177.584 -0.100 0.000 1.163 280 A CA 1.588 53.477 52.037 -0.245 0.000 0.646 280 A CB -0.411 18.489 19.000 -0.168 0.000 0.806 280 A HN 0.496 nan 8.150 nan 0.000 0.448 281 N N -0.449 118.223 118.700 -0.046 0.000 2.250 281 N HA -0.064 4.223 4.740 -0.755 0.000 0.181 281 N C 1.497 176.997 175.510 -0.018 0.000 1.017 281 N CA 1.070 54.125 53.050 0.007 0.000 0.866 281 N CB -0.073 38.475 38.487 0.103 0.000 0.985 281 N HN 0.232 nan 8.380 nan 0.000 0.429 282 V N 0.803 120.656 119.914 -0.102 0.000 2.343 282 V HA -0.213 3.454 4.120 -0.755 0.000 0.247 282 V C 2.115 178.192 176.094 -0.028 0.000 1.051 282 V CA 1.717 63.955 62.300 -0.104 0.000 1.036 282 V CB -0.726 30.963 31.823 -0.222 0.000 0.654 282 V HN 0.389 nan 8.190 nan 0.000 0.451 283 T N 0.288 114.831 114.554 -0.019 0.000 2.737 283 T HA -0.130 3.767 4.350 -0.755 0.000 0.265 283 T C 1.893 176.615 174.700 0.036 0.000 1.038 283 T CA 1.281 63.402 62.100 0.036 0.000 1.144 283 T CB -0.331 68.584 68.868 0.079 0.000 0.866 283 T HN 0.175 nan 8.240 nan 0.000 0.434 284 L N 1.402 122.638 121.223 0.021 0.000 2.131 284 L HA 0.130 4.017 4.340 -0.755 0.000 0.210 284 L C 2.601 179.518 176.870 0.077 0.000 1.092 284 L CA 1.405 56.269 54.840 0.039 0.000 0.759 284 L CB -1.373 40.698 42.059 0.020 0.000 0.903 284 L HN 0.254 nan 8.230 nan 0.000 0.435 285 A N -1.212 121.657 122.820 0.083 0.000 1.969 285 A HA -0.084 3.783 4.320 -0.755 0.000 0.218 285 A C 1.985 179.648 177.584 0.131 0.000 1.169 285 A CA 0.958 53.094 52.037 0.165 0.000 0.635 285 A CB -0.555 18.521 19.000 0.126 0.000 0.810 285 A HN 0.413 nan 8.150 nan 0.000 0.445 286 L N -0.340 120.920 121.223 0.062 0.000 2.660 286 L HA 0.187 4.074 4.340 -0.755 0.000 0.238 286 L C 1.407 178.291 176.870 0.023 0.000 1.161 286 L CA 0.335 55.190 54.840 0.026 0.000 0.937 286 L CB -0.594 41.477 42.059 0.021 0.000 1.122 286 L HN 0.547 nan 8.230 nan 0.000 0.435 287 G N 0.673 109.502 108.800 0.048 0.000 2.249 287 G HA2 -0.272 3.235 3.960 -0.755 0.000 0.273 287 G HA3 -0.272 3.235 3.960 -0.755 0.000 0.273 287 G C 0.050 174.970 174.900 0.033 0.000 1.036 287 G CA 0.499 45.623 45.100 0.041 0.000 0.824 287 G HN 0.484 nan 8.290 nan 0.000 0.504 288 S N -1.106 114.620 115.700 0.043 0.000 2.541 288 S HA 0.780 4.797 4.470 -0.755 0.000 0.280 288 S C -0.229 174.405 174.600 0.058 0.000 1.112 288 S CA -0.071 58.158 58.200 0.047 0.000 0.925 288 S CB 2.076 65.305 63.200 0.049 0.000 1.067 288 S HN 1.362 nan 8.310 nan 0.000 0.479 289 S N 2.392 118.129 115.700 0.061 0.000 2.499 289 S HA 0.564 4.581 4.470 -0.755 0.000 0.275 289 S C -2.630 172.018 174.600 0.080 0.000 1.257 289 S CA -1.088 57.148 58.200 0.060 0.000 1.050 289 S CB 0.160 63.393 63.200 0.055 0.000 0.937 289 S HN 0.640 nan 8.310 nan 0.000 0.490 290 P HA 0.546 nan 4.420 nan 0.000 0.296 290 P C -0.962 176.386 177.300 0.080 0.000 1.301 290 P CA -0.704 62.451 63.100 0.092 0.000 0.862 290 P CB 1.080 32.760 31.700 -0.034 0.000 1.046 291 I N 3.968 124.618 120.570 0.134 0.000 2.465 291 I HA 0.291 4.008 4.170 -0.755 0.000 0.291 291 I C 0.995 177.188 176.117 0.126 0.000 1.014 291 I CA -0.945 60.419 61.300 0.106 0.000 1.093 291 I CB 2.416 40.481 38.000 0.109 0.000 1.267 291 I HN 0.152 nan 8.210 nan 0.000 0.431 292 M N 3.963 123.614 119.600 0.085 0.000 2.756 292 M HA 0.126 4.154 4.480 -0.755 0.000 0.320 292 M C 0.567 176.917 176.300 0.084 0.000 1.245 292 M CA -0.004 55.351 55.300 0.091 0.000 0.972 292 M CB -0.412 32.220 32.600 0.053 0.000 1.327 292 M HN 0.460 nan 8.290 nan 0.000 0.505 293 S N 1.754 117.507 115.700 0.089 0.000 2.465 293 S HA 0.105 4.122 4.470 -0.755 0.000 0.280 293 S C 0.599 175.249 174.600 0.082 0.000 1.232 293 S CA 0.104 58.351 58.200 0.078 0.000 1.066 293 S CB 0.312 63.559 63.200 0.078 0.000 0.929 293 S HN 0.502 nan 8.310 nan 0.000 0.494 294 E N 4.362 124.603 120.200 0.069 0.000 2.499 294 E HA 0.269 4.167 4.350 -0.755 0.000 0.207 294 E C -0.648 175.985 176.600 0.056 0.000 1.034 294 E CA -0.070 56.371 56.400 0.067 0.000 1.098 294 E CB 0.360 30.097 29.700 0.063 0.000 1.148 294 E HN 0.644 nan 8.360 nan 0.000 0.447 295 I N 1.622 122.225 120.570 0.054 0.000 2.321 295 I HA 0.039 3.757 4.170 -0.755 0.000 0.291 295 I C 1.484 177.624 176.117 0.039 0.000 0.998 295 I CA -0.170 61.155 61.300 0.041 0.000 1.227 295 I CB 1.406 39.427 38.000 0.036 0.000 1.368 295 I HN 0.081 nan 8.210 nan 0.000 0.466 296 Q N 2.705 122.522 119.800 0.029 0.000 2.084 296 Q HA -0.163 3.725 4.340 -0.755 0.000 0.202 296 Q C 2.081 178.087 176.000 0.011 0.000 0.978 296 Q CA 2.110 57.925 55.803 0.020 0.000 0.844 296 Q CB 0.161 28.904 28.738 0.008 0.000 0.898 296 Q HN 0.890 nan 8.270 nan 0.000 0.426 297 S N 0.692 116.397 115.700 0.008 0.000 2.382 297 S HA -0.162 3.855 4.470 -0.755 0.000 0.228 297 S C 1.630 176.232 174.600 0.002 0.000 1.027 297 S CA 1.012 59.212 58.200 0.001 0.000 0.991 297 S CB -0.292 62.908 63.200 0.001 0.000 0.823 297 S HN 0.341 nan 8.310 nan 0.000 0.469 298 E N 0.683 120.891 120.200 0.013 0.000 2.204 298 E HA -0.050 3.847 4.350 -0.755 0.000 0.194 298 E C 1.964 178.571 176.600 0.012 0.000 0.989 298 E CA 0.674 57.084 56.400 0.015 0.000 0.824 298 E CB -0.259 29.459 29.700 0.030 0.000 0.756 298 E HN 0.305 nan 8.360 nan 0.000 0.477 299 V N 1.949 121.876 119.914 0.023 0.000 2.380 299 V HA -0.300 3.367 4.120 -0.755 0.000 0.251 299 V C 1.964 178.034 176.094 -0.040 0.000 1.063 299 V CA 1.663 63.984 62.300 0.034 0.000 1.055 299 V CB -0.350 31.510 31.823 0.062 0.000 0.657 299 V HN 0.325 nan 8.190 nan 0.000 0.455 300 N N -0.257 118.412 118.700 -0.052 0.000 2.207 300 N HA -0.102 4.186 4.740 -0.755 0.000 0.182 300 N C 1.508 176.958 175.510 -0.100 0.000 1.020 300 N CA 1.416 54.410 53.050 -0.093 0.000 0.858 300 N CB -0.257 38.190 38.487 -0.067 0.000 0.991 300 N HN 0.514 nan 8.380 nan 0.000 0.427 301 D N 0.870 121.234 120.400 -0.060 0.000 2.144 301 D HA -0.125 4.063 4.640 -0.755 0.000 0.199 301 D C 1.991 178.258 176.300 -0.054 0.000 0.984 301 D CA 0.406 54.378 54.000 -0.048 0.000 0.834 301 D CB -0.178 40.608 40.800 -0.023 0.000 0.955 301 D HN 0.109 nan 8.370 nan 0.000 0.465 302 L N 1.209 122.403 121.223 -0.048 0.000 2.017 302 L HA -0.055 3.832 4.340 -0.755 0.000 0.208 302 L C 2.278 179.091 176.870 -0.095 0.000 1.073 302 L CA 1.367 56.194 54.840 -0.022 0.000 0.745 302 L CB -1.122 40.963 42.059 0.044 0.000 0.894 302 L HN -0.034 nan 8.230 nan 0.000 0.432 303 A N -1.555 121.082 122.820 -0.305 0.000 2.209 303 A HA 0.137 4.004 4.320 -0.755 0.000 0.212 303 A C 2.279 179.691 177.584 -0.287 0.000 1.158 303 A CA 1.105 52.786 52.037 -0.592 0.000 0.742 303 A CB -0.631 17.607 19.000 -1.269 0.000 0.790 303 A HN 0.407 nan 8.150 nan 0.000 0.472 304 A N -0.184 122.535 122.820 -0.169 0.000 1.975 304 A HA 0.271 4.138 4.320 -0.755 0.000 0.215 304 A C 0.950 178.496 177.584 -0.064 0.000 1.170 304 A CA 0.026 52.000 52.037 -0.105 0.000 0.656 304 A CB -0.334 18.619 19.000 -0.078 0.000 0.821 304 A HN 0.435 nan 8.150 nan 0.000 0.449 305 I N 1.564 122.110 120.570 -0.040 0.000 2.775 305 I HA 0.030 3.748 4.170 -0.755 0.000 0.290 305 I C -2.048 174.072 176.117 0.006 0.000 1.203 305 I CA -1.336 59.963 61.300 -0.003 0.000 1.433 305 I CB 0.547 38.561 38.000 0.024 0.000 1.354 305 I HN 0.119 nan 8.210 nan 0.000 0.579 306 P HA 0.009 nan 4.420 nan 0.000 0.268 306 P C -0.573 176.769 177.300 0.070 0.000 1.208 306 P CA 0.134 63.226 63.100 -0.012 0.000 0.777 306 P CB 0.166 31.887 31.700 0.035 0.000 0.875 307 H N -1.537 117.555 119.070 0.036 0.000 2.557 307 H HA -0.144 3.959 4.556 -0.754 0.000 0.319 307 H C 0.434 175.807 175.328 0.075 0.000 1.102 307 H CA 0.476 56.553 56.048 0.050 0.000 1.126 307 H CB -1.766 28.020 29.762 0.040 0.000 1.498 307 H HN 0.493 nan 8.280 nan 0.000 0.411 308 A N 0.295 123.206 122.820 0.153 0.000 2.287 308 A HA 0.744 4.611 4.320 -0.755 0.000 0.273 308 A C 0.579 178.326 177.584 0.271 0.000 1.091 308 A CA 0.362 52.523 52.037 0.206 0.000 0.817 308 A CB 1.071 20.183 19.000 0.186 0.000 1.069 308 A HN 0.314 nan 8.150 nan 0.000 0.492 309 T N 0.450 115.180 114.554 0.293 0.000 3.097 309 T HA 0.414 4.311 4.350 -0.755 0.000 0.332 309 T C -1.495 173.112 174.700 -0.154 0.000 1.269 309 T CA -0.357 61.808 62.100 0.108 0.000 1.076 309 T CB 1.112 70.013 68.868 0.055 0.000 1.209 309 T HN 0.673 nan 8.240 nan 0.000 0.474 310 L N 3.940 124.875 121.223 -0.480 0.000 2.287 310 L HA 0.677 4.564 4.340 -0.755 0.000 0.287 310 L C -0.993 175.691 176.870 -0.310 0.000 1.022 310 L CA -0.698 53.773 54.840 -0.617 0.000 0.814 310 L CB 0.913 42.332 42.059 -1.065 0.000 1.217 310 L HN 0.586 nan 8.230 nan 0.000 0.420 311 L N 6.791 127.832 121.223 -0.303 0.000 2.307 311 L HA 0.522 4.410 4.340 -0.755 0.000 0.284 311 L C -1.590 175.154 176.870 -0.210 0.000 1.023 311 L CA -0.566 54.095 54.840 -0.299 0.000 0.810 311 L CB 1.626 43.370 42.059 -0.526 0.000 1.231 311 L HN 0.689 nan 8.230 nan 0.000 0.423 312 L N 5.117 126.247 121.223 -0.154 0.000 2.404 312 L HA 0.424 4.311 4.340 -0.755 0.000 0.272 312 L C -0.923 175.845 176.870 -0.171 0.000 0.980 312 L CA -0.397 54.401 54.840 -0.071 0.000 0.836 312 L CB 1.934 44.042 42.059 0.081 0.000 1.238 312 L HN 0.655 nan 8.230 nan 0.000 0.408 313 N N 1.102 119.725 118.700 -0.128 0.000 2.456 313 N HA 0.487 4.774 4.740 -0.755 0.000 0.296 313 N C -0.664 174.781 175.510 -0.108 0.000 1.102 313 N CA -0.279 52.660 53.050 -0.186 0.000 0.924 313 N CB 1.884 40.305 38.487 -0.111 0.000 1.186 313 N HN 0.389 nan 8.380 nan 0.000 0.492 314 T N -0.022 114.430 114.554 -0.170 0.000 2.874 314 T HA 0.485 4.382 4.350 -0.755 0.000 0.281 314 T C 1.122 175.805 174.700 -0.028 0.000 0.994 314 T CA 0.376 62.444 62.100 -0.053 0.000 1.015 314 T CB 0.958 69.787 68.868 -0.066 0.000 1.028 314 T HN 0.712 nan 8.240 nan 0.000 0.523 315 G N 1.136 109.947 108.800 0.018 0.000 2.148 315 G HA2 -0.260 3.247 3.960 -0.755 0.000 0.254 315 G HA3 -0.260 3.247 3.960 -0.755 0.000 0.254 315 G C 0.371 175.296 174.900 0.042 0.000 0.981 315 G CA 0.371 45.488 45.100 0.029 0.000 0.670 315 G HN 0.924 nan 8.290 nan 0.000 0.528 316 S N -1.330 114.398 115.700 0.046 0.000 2.600 316 S HA 0.452 4.469 4.470 -0.755 0.000 0.265 316 S C 1.586 176.221 174.600 0.058 0.000 1.325 316 S CA 0.488 58.722 58.200 0.057 0.000 1.002 316 S CB 1.663 64.901 63.200 0.063 0.000 0.921 316 S HN 1.372 nan 8.310 nan 0.000 0.554 317 V N 2.968 122.916 119.914 0.056 0.000 3.406 317 V HA 0.422 4.089 4.120 -0.755 0.000 0.263 317 V C 0.896 177.023 176.094 0.055 0.000 1.172 317 V CA 0.927 63.257 62.300 0.050 0.000 1.140 317 V CB -0.847 31.002 31.823 0.042 0.000 0.784 317 V HN 0.920 nan 8.190 nan 0.000 0.467 318 A N 1.852 124.710 122.820 0.064 0.000 2.371 318 A HA 0.630 4.497 4.320 -0.755 0.000 0.257 318 A C -2.377 175.253 177.584 0.076 0.000 1.089 318 A CA -1.104 50.973 52.037 0.067 0.000 0.794 318 A CB -0.215 18.830 19.000 0.074 0.000 1.029 318 A HN 0.449 nan 8.150 nan 0.000 0.488 319 P HA 0.249 nan 4.420 nan 0.000 0.276 319 P C -2.108 175.248 177.300 0.093 0.000 1.230 319 P CA -1.377 61.766 63.100 0.071 0.000 0.776 319 P CB 0.285 32.014 31.700 0.050 0.000 0.888 320 P HA -0.296 nan 4.420 nan 0.000 0.218 320 P C 1.620 178.979 177.300 0.098 0.000 1.154 320 P CA 2.490 65.711 63.100 0.201 0.000 0.872 320 P CB -0.446 31.392 31.700 0.230 0.000 0.790 321 E N -0.449 119.769 120.200 0.030 0.000 2.209 321 E HA -0.256 3.641 4.350 -0.755 0.000 0.196 321 E C 1.730 178.286 176.600 -0.074 0.000 0.993 321 E CA 2.194 58.561 56.400 -0.056 0.000 0.819 321 E CB -1.422 28.261 29.700 -0.029 0.000 0.745 321 E HN 0.470 nan 8.360 nan 0.000 0.477 322 M N -1.006 118.589 119.600 -0.008 0.000 2.447 322 M HA 0.254 4.282 4.480 -0.755 0.000 0.266 322 M C 2.193 178.511 176.300 0.031 0.000 1.120 322 M CA 1.096 56.401 55.300 0.007 0.000 1.166 322 M CB 0.107 32.727 32.600 0.034 0.000 1.349 322 M HN 0.188 nan 8.290 nan 0.000 0.463 323 L N 0.609 121.880 121.223 0.080 0.000 2.012 323 L HA -0.198 3.689 4.340 -0.755 0.000 0.210 323 L C 2.751 179.685 176.870 0.106 0.000 1.073 323 L CA 1.954 56.887 54.840 0.155 0.000 0.748 323 L CB -1.073 41.144 42.059 0.264 0.000 0.891 323 L HN 0.463 nan 8.230 nan 0.000 0.431 324 K N 0.465 120.778 120.400 -0.145 0.000 2.009 324 K HA -0.245 3.622 4.320 -0.755 0.000 0.210 324 K C 2.187 178.641 176.600 -0.244 0.000 1.049 324 K CA 1.594 57.526 56.287 -0.591 0.000 0.929 324 K CB -0.207 31.501 32.500 -1.320 0.000 0.714 324 K HN 0.265 nan 8.250 nan 0.000 0.440 325 A N 0.840 123.563 122.820 -0.162 0.000 1.927 325 A HA -0.239 3.628 4.320 -0.755 0.000 0.220 325 A C 2.288 179.873 177.584 0.001 0.000 1.185 325 A CA 2.437 54.427 52.037 -0.078 0.000 0.639 325 A CB -0.887 18.086 19.000 -0.045 0.000 0.820 325 A HN 0.569 nan 8.150 nan 0.000 0.451 326 A N -0.469 122.391 122.820 0.066 0.000 1.850 326 A HA 0.116 3.984 4.320 -0.755 0.000 0.212 326 A C 2.073 179.803 177.584 0.245 0.000 1.208 326 A CA 1.044 53.190 52.037 0.183 0.000 0.609 326 A CB -0.614 18.505 19.000 0.198 0.000 0.860 326 A HN 0.435 nan 8.150 nan 0.000 0.448 327 I N -0.333 120.350 120.570 0.188 0.000 2.181 327 I HA -0.370 3.347 4.170 -0.755 0.000 0.247 327 I C 2.726 178.918 176.117 0.125 0.000 1.081 327 I CA 2.191 63.600 61.300 0.180 0.000 1.340 327 I CB -0.299 37.819 38.000 0.196 0.000 1.036 327 I HN 0.401 nan 8.210 nan 0.000 0.417 328 R N 1.461 121.997 120.500 0.059 0.000 2.062 328 R HA -0.103 3.785 4.340 -0.755 0.000 0.231 328 R C 2.336 178.665 176.300 0.049 0.000 1.136 328 R CA 1.765 57.876 56.100 0.017 0.000 0.948 328 R CB -0.688 29.579 30.300 -0.054 0.000 0.845 328 R HN 0.302 nan 8.270 nan 0.000 0.430 329 A N -0.421 122.433 122.820 0.056 0.000 1.958 329 A HA -0.219 3.648 4.320 -0.755 0.000 0.221 329 A C 2.047 179.608 177.584 -0.038 0.000 1.178 329 A CA 1.773 53.809 52.037 -0.002 0.000 0.642 329 A CB -0.910 18.077 19.000 -0.023 0.000 0.816 329 A HN 0.569 nan 8.150 nan 0.000 0.453 330 Y N -0.529 119.788 120.300 0.029 0.000 2.314 330 Y HA -0.049 4.045 4.550 -0.761 0.000 0.294 330 Y C 2.331 178.258 175.900 0.046 0.000 1.119 330 Y CA 1.404 59.530 58.100 0.042 0.000 1.179 330 Y CB -0.408 38.092 38.460 0.067 0.000 1.025 330 Y HN 0.413 nan 8.280 nan 0.000 0.541 331 N N -0.113 118.701 118.700 0.190 0.000 2.244 331 N HA -0.175 4.112 4.740 -0.755 0.000 0.183 331 N C 1.003 176.574 175.510 0.102 0.000 1.016 331 N CA 1.022 54.157 53.050 0.141 0.000 0.866 331 N CB -0.050 38.505 38.487 0.113 0.000 0.980 331 N HN 0.262 nan 8.380 nan 0.000 0.430 332 D N 0.323 120.758 120.400 0.058 0.000 2.097 332 D HA -0.089 4.098 4.640 -0.755 0.000 0.195 332 D C 1.629 177.938 176.300 0.014 0.000 0.989 332 D CA 0.922 54.938 54.000 0.026 0.000 0.827 332 D CB -0.153 40.642 40.800 -0.009 0.000 0.966 332 D HN 0.051 nan 8.370 nan 0.000 0.456 333 V N 0.114 120.023 119.914 -0.008 0.000 3.623 333 V HA 0.026 3.693 4.120 -0.755 0.000 0.271 333 V C 0.637 176.730 176.094 -0.002 0.000 1.248 333 V CA 0.141 62.424 62.300 -0.028 0.000 1.156 333 V CB -0.787 30.985 31.823 -0.086 0.000 0.870 333 V HN 0.280 nan 8.190 nan 0.000 0.453 334 K N -0.023 120.398 120.400 0.035 0.000 3.129 334 K HA -0.179 3.688 4.320 -0.755 0.000 0.273 334 K C 0.293 176.921 176.600 0.045 0.000 1.123 334 K CA 0.411 56.718 56.287 0.033 0.000 0.800 334 K CB -0.645 31.848 32.500 -0.012 0.000 1.238 334 K HN 0.384 nan 8.250 nan 0.000 0.492 335 R N -0.022 120.546 120.500 0.113 0.000 2.596 335 R HA 0.372 4.259 4.340 -0.755 0.000 0.267 335 R C -2.520 173.915 176.300 0.225 0.000 1.026 335 R CA -2.121 54.082 56.100 0.171 0.000 1.087 335 R CB 0.614 31.065 30.300 0.252 0.000 1.132 335 R HN -0.120 nan 8.270 nan 0.000 0.531 336 P HA 0.313 nan 4.420 nan 0.000 0.281 336 P C -0.480 176.887 177.300 0.111 0.000 1.252 336 P CA -0.050 63.147 63.100 0.161 0.000 0.778 336 P CB 0.570 32.342 31.700 0.120 0.000 0.895 337 I N 2.643 123.310 120.570 0.162 0.000 2.404 337 I HA 0.336 4.053 4.170 -0.755 0.000 0.293 337 I C -0.268 175.950 176.117 0.168 0.000 0.992 337 I CA -1.093 60.289 61.300 0.136 0.000 1.149 337 I CB 1.945 40.137 38.000 0.321 0.000 1.315 337 I HN -0.045 nan 8.210 nan 0.000 0.446 338 V N 6.477 126.414 119.914 0.039 0.000 2.398 338 V HA 0.315 3.982 4.120 -0.755 0.000 0.286 338 V C -0.659 175.393 176.094 -0.070 0.000 1.026 338 V CA -0.557 61.742 62.300 -0.002 0.000 0.868 338 V CB 1.592 33.376 31.823 -0.065 0.000 0.982 338 V HN 0.416 nan 8.190 nan 0.000 0.443 339 F N 4.545 124.292 119.950 -0.338 0.000 2.411 339 F HA 0.592 4.680 4.527 -0.730 0.000 0.352 339 F C -0.195 175.391 175.800 -0.356 0.000 1.123 339 F CA -0.938 56.742 58.000 -0.534 0.000 1.044 339 F CB 1.371 39.704 39.000 -1.110 0.000 1.135 339 F HN 0.492 nan 8.300 nan 0.000 0.461 340 D N 8.447 128.326 120.400 -0.867 0.000 2.438 340 D HA 0.342 4.529 4.640 -0.755 0.000 0.257 340 D C -2.913 172.850 176.300 -0.895 0.000 1.148 340 D CA -2.408 51.168 54.000 -0.707 0.000 0.902 340 D CB 1.493 42.020 40.800 -0.454 0.000 1.062 340 D HN 0.147 nan 8.370 nan 0.000 0.518 341 P HA 0.108 nan 4.420 nan 0.000 0.277 341 P C 0.171 177.178 177.300 -0.488 0.000 1.354 341 P CA -0.438 62.206 63.100 -0.760 0.000 0.891 341 P CB 0.854 32.227 31.700 -0.544 0.000 1.058 342 V N 3.125 122.821 119.914 -0.364 0.000 2.800 342 V HA 0.546 4.213 4.120 -0.755 0.000 0.365 342 V C 1.102 177.064 176.094 -0.221 0.000 1.527 342 V CA 0.279 62.425 62.300 -0.257 0.000 1.623 342 V CB -1.196 30.530 31.823 -0.162 0.000 1.407 342 V HN 0.864 nan 8.190 nan 0.000 0.527 343 G N 0.850 109.436 108.800 -0.357 0.000 2.354 343 G HA2 0.231 3.738 3.960 -0.755 0.000 0.582 343 G HA3 0.231 3.738 3.960 -0.755 0.000 0.582 343 G C -1.237 173.354 174.900 -0.514 0.000 1.316 343 G CA -0.269 44.621 45.100 -0.350 0.000 0.995 343 G HN 0.745 nan 8.290 nan 0.000 0.573 348 E N 1.763 121.992 120.200 0.049 0.000 2.136 348 E HA -0.204 3.693 4.350 -0.755 0.000 0.208 348 E C 1.856 178.479 176.600 0.039 0.000 1.035 348 E CA 2.573 58.993 56.400 0.033 0.000 0.838 348 E CB -0.526 29.187 29.700 0.021 0.000 0.748 348 E HN 0.846 nan 8.360 nan 0.000 0.459 349 T N 0.271 114.852 114.554 0.045 0.000 2.788 349 T HA -0.138 3.759 4.350 -0.755 0.000 0.268 349 T C 1.997 176.736 174.700 0.066 0.000 1.044 349 T CA 1.328 63.457 62.100 0.048 0.000 1.139 349 T CB -0.103 68.793 68.868 0.045 0.000 0.867 349 T HN 0.145 nan 8.240 nan 0.000 0.454 350 R N 0.001 120.555 120.500 0.089 0.000 2.062 350 R HA 0.133 4.020 4.340 -0.755 0.000 0.226 350 R C 2.414 178.826 176.300 0.186 0.000 1.125 350 R CA 0.661 56.838 56.100 0.128 0.000 0.966 350 R CB -0.534 29.841 30.300 0.125 0.000 0.861 350 R HN 0.235 nan 8.270 nan 0.000 0.433 351 L N 0.978 122.305 121.223 0.173 0.000 2.021 351 L HA -0.253 3.634 4.340 -0.755 0.000 0.215 351 L C 1.994 178.847 176.870 -0.029 0.000 1.074 351 L CA 1.734 56.572 54.840 -0.003 0.000 0.760 351 L CB -0.496 41.490 42.059 -0.122 0.000 0.889 351 L HN 0.203 nan 8.230 nan 0.000 0.433 352 L N -0.921 120.304 121.223 0.005 0.000 1.989 352 L HA -0.215 3.672 4.340 -0.755 0.000 0.211 352 L C 2.574 179.452 176.870 0.014 0.000 1.071 352 L CA 2.108 56.948 54.840 0.000 0.000 0.749 352 L CB -1.151 40.918 42.059 0.017 0.000 0.890 352 L HN 0.477 nan 8.230 nan 0.000 0.431 353 L N 0.450 121.703 121.223 0.051 0.000 2.046 353 L HA -0.207 3.680 4.340 -0.755 0.000 0.208 353 L C 2.195 179.097 176.870 0.054 0.000 1.077 353 L CA 1.701 56.578 54.840 0.061 0.000 0.747 353 L CB -0.934 41.180 42.059 0.092 0.000 0.896 353 L HN 0.271 nan 8.230 nan 0.000 0.432 354 N N 0.454 119.228 118.700 0.123 0.000 2.058 354 N HA -0.185 4.102 4.740 -0.755 0.000 0.191 354 N C 1.641 177.167 175.510 0.025 0.000 1.037 354 N CA 1.985 55.152 53.050 0.195 0.000 0.848 354 N CB -0.702 38.021 38.487 0.393 0.000 1.021 354 N HN 0.541 nan 8.380 nan 0.000 0.422 355 N N 0.439 119.127 118.700 -0.020 0.000 2.205 355 N HA -0.153 4.135 4.740 -0.755 0.000 0.186 355 N C 1.615 177.032 175.510 -0.155 0.000 1.015 355 N CA 0.843 53.847 53.050 -0.076 0.000 0.862 355 N CB 0.002 38.443 38.487 -0.076 0.000 0.986 355 N HN 0.296 nan 8.380 nan 0.000 0.429 356 K N 1.097 121.380 120.400 -0.195 0.000 2.057 356 K HA -0.036 3.831 4.320 -0.755 0.000 0.206 356 K C 1.836 177.900 176.600 -0.894 0.000 1.050 356 K CA 0.772 56.831 56.287 -0.380 0.000 0.935 356 K CB 0.039 32.409 32.500 -0.218 0.000 0.715 356 K HN 0.130 nan 8.250 nan 0.000 0.439 357 L N 0.819 121.662 121.223 -0.633 0.000 2.093 357 L HA -0.139 3.748 4.340 -0.755 0.000 0.208 357 L C 2.056 178.687 176.870 -0.398 0.000 1.085 357 L CA 0.795 55.269 54.840 -0.610 0.000 0.755 357 L CB -0.240 41.723 42.059 -0.160 0.000 0.904 357 L HN 0.203 nan 8.230 nan 0.000 0.435 358 L N -0.263 120.770 121.223 -0.316 0.000 2.633 358 L HA -0.100 3.788 4.340 -0.755 0.000 0.235 358 L C 1.939 178.752 176.870 -0.095 0.000 1.163 358 L CA 1.137 55.879 54.840 -0.163 0.000 0.859 358 L CB -0.607 41.313 42.059 -0.231 0.000 0.973 358 L HN 0.438 nan 8.230 nan 0.000 0.451 359 T N -6.086 108.378 114.554 -0.150 0.000 3.084 359 T HA 0.145 4.043 4.350 -0.755 0.000 0.270 359 T C 1.187 175.999 174.700 0.185 0.000 1.008 359 T CA -0.227 61.908 62.100 0.059 0.000 0.900 359 T CB -0.242 68.694 68.868 0.113 0.000 1.084 359 T HN 0.170 nan 8.240 nan 0.000 0.538 360 F N 1.702 121.632 119.950 -0.033 0.000 2.569 360 F HA 0.460 4.503 4.527 -0.807 0.000 0.295 360 F C 1.715 177.406 175.800 -0.182 0.000 1.115 360 F CA -0.067 57.880 58.000 -0.088 0.000 1.450 360 F CB 0.501 39.477 39.000 -0.040 0.000 1.107 360 F HN 0.526 nan 8.300 nan 0.000 0.563 361 G N -0.755 107.964 108.800 -0.135 0.000 2.428 361 G HA2 0.216 3.724 3.960 -0.755 0.000 0.304 361 G HA3 0.216 3.724 3.960 -0.755 0.000 0.304 361 G C -1.964 172.611 174.900 -0.543 0.000 1.303 361 G CA -0.607 44.328 45.100 -0.276 0.000 0.825 361 G HN -0.274 nan 8.290 nan 0.000 0.484 362 Q N 0.175 119.714 119.800 -0.435 0.000 2.314 362 Q HA 0.512 4.399 4.340 -0.755 0.000 0.259 362 Q C -1.205 174.481 176.000 -0.525 0.000 0.951 362 Q CA -0.325 55.189 55.803 -0.482 0.000 0.909 362 Q CB 1.201 29.719 28.738 -0.367 0.000 1.236 362 Q HN 0.356 nan 8.270 nan 0.000 0.444 363 F N 0.515 120.373 119.950 -0.153 0.000 2.394 363 F HA 0.182 4.276 4.527 -0.722 0.000 0.340 363 F C 1.655 177.475 175.800 0.034 0.000 1.105 363 F CA -0.367 57.606 58.000 -0.044 0.000 1.124 363 F CB 1.362 40.336 39.000 -0.044 0.000 1.145 363 F HN 0.460 nan 8.300 nan 0.000 0.505 364 S N 0.794 116.717 115.700 0.371 0.000 2.428 364 S HA -0.076 3.941 4.470 -0.755 0.000 0.230 364 S C 0.150 174.926 174.600 0.293 0.000 1.014 364 S CA 0.337 58.783 58.200 0.411 0.000 0.957 364 S CB 0.023 63.425 63.200 0.337 0.000 0.784 364 S HN 0.687 nan 8.310 nan 0.000 0.499 365 C N 1.102 120.546 119.300 0.240 0.000 2.811 365 C HA 0.608 4.615 4.460 -0.755 0.000 0.352 365 C C -1.465 173.598 174.990 0.122 0.000 1.098 365 C CA -1.214 57.908 59.018 0.173 0.000 1.295 365 C CB -0.052 27.763 27.740 0.124 0.000 1.758 365 C HN 0.387 nan 8.230 nan 0.000 0.488 366 I N 5.479 126.119 120.570 0.117 0.000 2.354 366 I HA 0.473 4.190 4.170 -0.755 0.000 0.292 366 I C -0.172 175.953 176.117 0.012 0.000 0.989 366 I CA -0.204 61.134 61.300 0.064 0.000 1.188 366 I CB 1.401 39.468 38.000 0.111 0.000 1.342 366 I HN 0.582 nan 8.210 nan 0.000 0.457 367 K N 5.376 125.725 120.400 -0.085 0.000 2.376 367 K HA 0.773 4.641 4.320 -0.755 0.000 0.257 367 K C -0.860 175.652 176.600 -0.147 0.000 0.939 367 K CA -0.363 55.865 56.287 -0.099 0.000 0.809 367 K CB 2.149 34.565 32.500 -0.141 0.000 1.121 367 K HN 0.858 nan 8.250 nan 0.000 0.425 368 G N 1.934 110.681 108.800 -0.090 0.000 2.687 368 G HA2 0.325 3.833 3.960 -0.755 0.000 0.291 368 G HA3 0.325 3.833 3.960 -0.755 0.000 0.291 368 G C -1.610 173.261 174.900 -0.049 0.000 1.420 368 G CA -0.812 44.224 45.100 -0.107 0.000 0.796 368 G HN 0.717 nan 8.290 nan 0.000 0.485 369 N N -1.400 117.271 118.700 -0.048 0.000 2.402 369 N HA 0.336 4.623 4.740 -0.755 0.000 0.294 369 N C 1.434 176.956 175.510 0.020 0.000 1.203 369 N CA 0.245 53.294 53.050 -0.001 0.000 0.838 369 N CB 1.605 40.085 38.487 -0.012 0.000 1.306 369 N HN 0.881 nan 8.380 nan 0.000 0.510 370 S N 1.482 117.218 115.700 0.059 0.000 2.507 370 S HA -0.386 3.631 4.470 -0.755 0.000 0.327 370 S C 1.685 176.312 174.600 0.046 0.000 1.255 370 S CA 2.513 60.754 58.200 0.068 0.000 1.276 370 S CB -1.564 61.677 63.200 0.068 0.000 1.296 370 S HN 0.667 nan 8.310 nan 0.000 0.459 371 S N 2.406 118.120 115.700 0.023 0.000 2.343 371 S HA -0.135 3.883 4.470 -0.755 0.000 0.219 371 S C 2.002 176.608 174.600 0.010 0.000 1.033 371 S CA 1.558 59.770 58.200 0.020 0.000 1.014 371 S CB -0.676 62.524 63.200 -0.001 0.000 0.915 371 S HN 0.793 nan 8.310 nan 0.000 0.435 372 E N 0.591 120.751 120.200 -0.066 0.000 2.153 372 E HA -0.096 3.801 4.350 -0.755 0.000 0.194 372 E C 1.796 178.389 176.600 -0.012 0.000 0.988 372 E CA 0.802 57.110 56.400 -0.153 0.000 0.811 372 E CB -0.178 29.366 29.700 -0.260 0.000 0.746 372 E HN 0.368 nan 8.360 nan 0.000 0.466 373 I N 0.833 121.421 120.570 0.029 0.000 2.480 373 I HA -0.137 3.580 4.170 -0.755 0.000 0.251 373 I C 2.300 178.482 176.117 0.108 0.000 1.124 373 I CA 0.898 62.246 61.300 0.080 0.000 1.444 373 I CB -0.666 37.386 38.000 0.086 0.000 1.098 373 I HN 0.158 nan 8.210 nan 0.000 0.428 374 L N 0.430 121.709 121.223 0.093 0.000 2.046 374 L HA -0.116 3.771 4.340 -0.755 0.000 0.208 374 L C 2.671 179.616 176.870 0.125 0.000 1.077 374 L CA 1.544 56.438 54.840 0.091 0.000 0.747 374 L CB -1.159 40.943 42.059 0.071 0.000 0.896 374 L HN 0.257 nan 8.230 nan 0.000 0.432 375 G N 0.164 109.070 108.800 0.176 0.000 2.446 375 G HA2 -0.258 3.249 3.960 -0.755 0.000 0.217 375 G HA3 -0.258 3.249 3.960 -0.755 0.000 0.217 375 G C 1.639 176.696 174.900 0.260 0.000 1.168 375 G CA 0.674 45.935 45.100 0.269 0.000 0.771 375 G HN 0.230 nan 8.290 nan 0.000 0.551 376 L N 0.537 121.946 121.223 0.310 0.000 2.131 376 L HA -0.000 3.887 4.340 -0.755 0.000 0.210 376 L C 3.197 180.229 176.870 0.270 0.000 1.092 376 L CA 0.882 55.910 54.840 0.312 0.000 0.759 376 L CB -0.127 42.104 42.059 0.287 0.000 0.903 376 L HN 0.334 nan 8.230 nan 0.000 0.435 377 A N -1.051 121.882 122.820 0.188 0.000 2.169 377 A HA -0.048 3.819 4.320 -0.755 0.000 0.212 377 A C 0.671 178.307 177.584 0.086 0.000 1.153 377 A CA 0.158 52.274 52.037 0.131 0.000 0.756 377 A CB -0.085 18.973 19.000 0.098 0.000 0.813 377 A HN 0.493 nan 8.150 nan 0.000 0.471 378 E N -2.275 117.979 120.200 0.089 0.000 2.266 378 E HA -0.166 3.732 4.350 -0.755 0.000 0.209 378 E C 0.354 176.977 176.600 0.038 0.000 1.286 378 E CA 0.034 56.465 56.400 0.053 0.000 0.677 378 E CB -2.724 26.995 29.700 0.033 0.000 1.173 378 E HN 1.037 nan 8.360 nan 0.000 0.384 395 N N -0.258 118.428 118.700 -0.023 0.000 2.324 395 N HA 0.314 4.602 4.740 -0.755 0.000 0.235 395 N C 0.943 176.349 175.510 -0.173 0.000 1.162 395 N CA 0.634 53.655 53.050 -0.049 0.000 0.834 395 N CB 0.290 38.738 38.487 -0.065 0.000 1.354 395 N HN 0.563 nan 8.380 nan 0.000 0.471 396 E N 0.230 120.343 120.200 -0.145 0.000 2.208 396 E HA -0.079 3.818 4.350 -0.755 0.000 0.193 396 E C 1.419 177.915 176.600 -0.174 0.000 0.988 396 E CA 0.511 56.805 56.400 -0.176 0.000 0.828 396 E CB 0.170 29.804 29.700 -0.110 0.000 0.763 396 E HN 0.177 nan 8.360 nan 0.000 0.478 397 L N 1.036 122.189 121.223 -0.117 0.000 2.027 397 L HA -0.136 3.751 4.340 -0.755 0.000 0.206 397 L C 1.994 178.800 176.870 -0.106 0.000 1.074 397 L CA 1.502 56.290 54.840 -0.085 0.000 0.745 397 L CB -0.297 41.737 42.059 -0.040 0.000 0.898 397 L HN 0.119 nan 8.230 nan 0.000 0.433 398 L N -0.899 120.251 121.223 -0.121 0.000 2.079 398 L HA -0.270 3.617 4.340 -0.755 0.000 0.210 398 L C 2.532 179.231 176.870 -0.285 0.000 1.081 398 L CA 1.377 56.151 54.840 -0.111 0.000 0.752 398 L CB -0.531 41.541 42.059 0.022 0.000 0.896 398 L HN 0.333 nan 8.230 nan 0.000 0.433 399 I N -0.736 119.510 120.570 -0.540 0.000 2.202 399 I HA -0.304 3.413 4.170 -0.755 0.000 0.242 399 I C 2.660 178.639 176.117 -0.230 0.000 1.091 399 I CA 1.305 62.270 61.300 -0.559 0.000 1.368 399 I CB -0.427 37.229 38.000 -0.574 0.000 1.058 399 I HN 0.438 nan 8.210 nan 0.000 0.410 400 Q N 1.079 120.777 119.800 -0.170 0.000 2.061 400 Q HA -0.237 3.650 4.340 -0.755 0.000 0.204 400 Q C 2.355 178.326 176.000 -0.049 0.000 0.984 400 Q CA 2.225 57.972 55.803 -0.092 0.000 0.846 400 Q CB -0.059 28.633 28.738 -0.077 0.000 0.902 400 Q HN 0.532 nan 8.270 nan 0.000 0.421 401 A N -0.055 122.743 122.820 -0.037 0.000 1.902 401 A HA -0.178 3.689 4.320 -0.755 0.000 0.217 401 A C 2.220 179.832 177.584 0.048 0.000 1.181 401 A CA 2.002 54.049 52.037 0.015 0.000 0.623 401 A CB -1.002 18.016 19.000 0.029 0.000 0.818 401 A HN 0.477 nan 8.150 nan 0.000 0.443 402 T N 0.098 114.674 114.554 0.038 0.000 2.759 402 T HA -0.133 3.764 4.350 -0.755 0.000 0.269 402 T C 1.884 176.643 174.700 0.098 0.000 1.042 402 T CA 1.668 63.824 62.100 0.093 0.000 1.140 402 T CB -0.182 68.762 68.868 0.126 0.000 0.864 402 T HN 0.528 nan 8.240 nan 0.000 0.455 403 K N 0.553 120.986 120.400 0.055 0.000 2.057 403 K HA 0.075 3.942 4.320 -0.755 0.000 0.206 403 K C 2.262 178.916 176.600 0.090 0.000 1.050 403 K CA 0.926 57.251 56.287 0.063 0.000 0.935 403 K CB -0.348 32.157 32.500 0.008 0.000 0.715 403 K HN 0.343 nan 8.250 nan 0.000 0.439 404 I N 0.973 121.581 120.570 0.063 0.000 2.127 404 I HA -0.305 3.412 4.170 -0.755 0.000 0.241 404 I C 2.358 178.553 176.117 0.129 0.000 1.075 404 I CA 1.204 62.550 61.300 0.076 0.000 1.334 404 I CB -0.362 37.665 38.000 0.044 0.000 1.040 404 I HN -0.095 nan 8.210 nan 0.000 0.405 405 V N 0.895 120.902 119.914 0.155 0.000 2.295 405 V HA -0.308 3.359 4.120 -0.755 0.000 0.246 405 V C 2.702 178.944 176.094 0.247 0.000 1.049 405 V CA 2.006 64.451 62.300 0.242 0.000 1.024 405 V CB -1.032 30.942 31.823 0.252 0.000 0.648 405 V HN 0.513 nan 8.190 nan 0.000 0.447 406 A N -0.582 122.358 122.820 0.200 0.000 1.883 406 A HA -0.281 3.587 4.320 -0.755 0.000 0.217 406 A C 2.147 179.820 177.584 0.148 0.000 1.186 406 A CA 2.303 54.449 52.037 0.182 0.000 0.624 406 A CB -0.791 18.307 19.000 0.163 0.000 0.822 406 A HN 0.527 nan 8.150 nan 0.000 0.444 407 F N 0.283 120.235 119.950 0.004 0.000 2.113 407 F HA -0.135 3.946 4.527 -0.743 0.000 0.297 407 F C 2.275 177.998 175.800 -0.128 0.000 1.103 407 F CA 2.277 60.246 58.000 -0.051 0.000 1.248 407 F CB -0.122 38.845 39.000 -0.055 0.000 0.999 407 F HN 0.177 nan 8.300 nan 0.000 0.475 408 K N -0.141 120.221 120.400 -0.064 0.000 2.020 408 K HA -0.241 3.626 4.320 -0.755 0.000 0.212 408 K C 1.312 177.557 176.600 -0.591 0.000 1.050 408 K CA 2.229 58.288 56.287 -0.381 0.000 0.929 408 K CB -0.679 31.492 32.500 -0.548 0.000 0.714 408 K HN 0.444 nan 8.250 nan 0.000 0.443 409 Y N 0.986 121.219 120.300 -0.112 0.000 2.532 409 Y HA 0.225 4.312 4.550 -0.773 0.000 0.283 409 Y C -0.378 175.393 175.900 -0.216 0.000 1.181 409 Y CA -0.524 57.499 58.100 -0.129 0.000 1.256 409 Y CB 0.444 38.903 38.460 -0.002 0.000 1.112 409 Y HN -0.128 nan 8.280 nan 0.000 0.521 410 K N 1.564 121.807 120.400 -0.261 0.000 4.040 410 K HA -0.222 3.646 4.320 -0.755 0.000 0.279 410 K C -0.206 176.363 176.600 -0.052 0.000 0.890 410 K CA 1.070 57.162 56.287 -0.325 0.000 0.782 410 K CB -1.405 30.574 32.500 -0.868 0.000 1.613 410 K HN 0.464 nan 8.250 nan 0.000 0.440 411 T N -1.665 112.935 114.554 0.076 0.000 2.802 411 T HA 0.390 4.287 4.350 -0.755 0.000 0.311 411 T C -1.001 173.817 174.700 0.197 0.000 1.405 411 T CA -0.569 61.636 62.100 0.176 0.000 1.016 411 T CB 1.471 70.451 68.868 0.187 0.000 1.352 411 T HN -0.021 nan 8.240 nan 0.000 0.498 412 V N 2.979 123.033 119.914 0.233 0.000 2.439 412 V HA 0.587 4.254 4.120 -0.755 0.000 0.271 412 V C 0.785 177.003 176.094 0.207 0.000 1.040 412 V CA -0.219 62.224 62.300 0.239 0.000 1.002 412 V CB 0.175 32.175 31.823 0.294 0.000 1.000 412 V HN 0.982 nan 8.190 nan 0.000 0.477 413 A N 5.548 128.488 122.820 0.199 0.000 2.304 413 A HA 0.783 4.650 4.320 -0.755 0.000 0.323 413 A C -0.586 177.100 177.584 0.170 0.000 1.195 413 A CA -0.507 51.634 52.037 0.172 0.000 0.826 413 A CB 1.306 20.412 19.000 0.176 0.000 1.184 413 A HN 0.624 nan 8.150 nan 0.000 0.496 414 V N 1.806 121.794 119.914 0.123 0.000 2.417 414 V HA 0.398 4.065 4.120 -0.755 0.000 0.291 414 V C -0.290 175.861 176.094 0.096 0.000 1.024 414 V CA -0.560 61.806 62.300 0.110 0.000 0.861 414 V CB 1.288 33.141 31.823 0.050 0.000 0.985 414 V HN 1.007 nan 8.190 nan 0.000 0.436 415 C N 5.999 125.389 119.300 0.149 0.000 2.291 415 C HA 0.683 4.690 4.460 -0.755 0.000 0.322 415 C C 0.801 175.858 174.990 0.111 0.000 1.205 415 C CA -0.419 58.691 59.018 0.153 0.000 1.495 415 C CB -0.192 27.703 27.740 0.259 0.000 2.127 415 C HN 1.023 nan 8.230 nan 0.000 0.452 416 T N 3.404 117.984 114.554 0.044 0.000 2.910 416 T HA 0.783 4.681 4.350 -0.755 0.000 0.293 416 T C 0.521 175.245 174.700 0.039 0.000 1.015 416 T CA 0.347 62.455 62.100 0.013 0.000 1.094 416 T CB 1.624 70.481 68.868 -0.019 0.000 0.968 416 T HN 1.427 nan 8.240 nan 0.000 0.521 417 G N 1.014 109.828 108.800 0.022 0.000 2.474 417 G HA2 0.275 3.782 3.960 -0.755 0.000 0.234 417 G HA3 0.275 3.782 3.960 -0.755 0.000 0.234 417 G C 0.188 175.097 174.900 0.015 0.000 1.204 417 G CA -0.011 45.119 45.100 0.050 0.000 0.939 417 G HN 0.670 nan 8.290 nan 0.000 0.491 418 E N -0.897 119.330 120.200 0.045 0.000 2.031 418 E HA 0.069 3.967 4.350 -0.755 0.000 0.193 418 E C 0.042 176.495 176.600 -0.245 0.000 0.994 418 E CA 0.764 57.122 56.400 -0.069 0.000 0.800 418 E CB -0.104 29.594 29.700 -0.002 0.000 0.752 418 E HN 0.280 nan 8.360 nan 0.000 0.447 419 F N 1.443 121.292 119.950 -0.168 0.000 2.404 419 F HA 0.271 4.345 4.527 -0.755 0.000 0.339 419 F C 0.052 175.490 175.800 -0.604 0.000 1.105 419 F CA -1.146 56.616 58.000 -0.397 0.000 1.087 419 F CB 1.057 39.728 39.000 -0.549 0.000 1.143 419 F HN -0.157 nan 8.300 nan 0.000 0.491 420 D N 3.116 123.304 120.400 -0.354 0.000 2.193 420 D HA 0.298 4.485 4.640 -0.755 0.000 0.244 420 D C -0.823 175.227 176.300 -0.417 0.000 1.064 420 D CA -0.045 53.777 54.000 -0.298 0.000 0.845 420 D CB 1.521 42.266 40.800 -0.092 0.000 1.148 420 D HN 0.208 nan 8.370 nan 0.000 0.464 421 F N 1.432 121.461 119.950 0.132 0.000 2.458 421 F HA 0.472 4.545 4.527 -0.756 0.000 0.336 421 F C 0.273 176.153 175.800 0.133 0.000 1.114 421 F CA -1.036 57.042 58.000 0.129 0.000 0.987 421 F CB 1.330 40.395 39.000 0.108 0.000 1.130 421 F HN 0.039 nan 8.300 nan 0.000 0.458 422 I N 2.959 123.734 120.570 0.342 0.000 2.418 422 I HA 0.615 4.333 4.170 -0.755 0.000 0.287 422 I C -0.472 175.884 176.117 0.398 0.000 1.008 422 I CA -0.390 61.108 61.300 0.329 0.000 1.104 422 I CB 1.767 39.938 38.000 0.286 0.000 1.264 422 I HN 0.668 nan 8.210 nan 0.000 0.438 423 A N 4.001 127.007 122.820 0.310 0.000 2.342 423 A HA 0.649 4.516 4.320 -0.755 0.000 0.323 423 A C -1.096 176.551 177.584 0.105 0.000 1.125 423 A CA -0.539 51.610 52.037 0.187 0.000 0.785 423 A CB 1.035 20.121 19.000 0.142 0.000 1.221 423 A HN 0.600 nan 8.150 nan 0.000 0.463 424 D N 2.364 122.667 120.400 -0.163 0.000 2.412 424 D HA 0.442 4.629 4.640 -0.755 0.000 0.224 424 D C 0.830 177.105 176.300 -0.041 0.000 1.093 424 D CA 0.273 54.145 54.000 -0.214 0.000 0.850 424 D CB 1.186 41.540 40.800 -0.743 0.000 1.046 424 D HN 0.518 nan 8.370 nan 0.000 0.507 425 G N 2.036 110.879 108.800 0.073 0.000 3.502 425 G HA2 -0.052 3.455 3.960 -0.755 0.000 0.267 425 G HA3 -0.052 3.455 3.960 -0.755 0.000 0.267 425 G C 1.261 176.214 174.900 0.089 0.000 1.090 425 G CA 0.309 45.481 45.100 0.121 0.000 0.795 425 G HN 0.534 nan 8.290 nan 0.000 0.535 426 T N -0.916 113.724 114.554 0.145 0.000 3.023 426 T HA 0.029 3.926 4.350 -0.755 0.000 0.266 426 T C 1.593 176.458 174.700 0.276 0.000 1.093 426 T CA 0.431 62.697 62.100 0.278 0.000 1.129 426 T CB -0.321 68.753 68.868 0.343 0.000 0.899 426 T HN 0.564 nan 8.240 nan 0.000 0.491 427 I N 1.976 122.647 120.570 0.168 0.000 6.572 427 I HA -0.291 3.426 4.170 -0.755 0.000 0.126 427 I C 0.390 176.597 176.117 0.149 0.000 1.771 427 I CA 0.904 62.300 61.300 0.159 0.000 2.241 427 I CB -2.248 35.871 38.000 0.198 0.000 3.401 427 I HN 0.514 nan 8.210 nan 0.000 0.227 428 E N -1.023 119.242 120.200 0.110 0.000 3.170 428 E HA -0.301 3.597 4.350 -0.755 0.000 0.284 428 E C 1.203 177.828 176.600 0.043 0.000 0.967 428 E CA 0.757 57.190 56.400 0.056 0.000 0.919 428 E CB -1.640 28.079 29.700 0.033 0.000 1.469 428 E HN 1.274 nan 8.360 nan 0.000 0.444 429 G N 0.422 109.292 108.800 0.118 0.000 2.160 429 G HA2 -0.342 3.166 3.960 -0.755 0.000 0.251 429 G HA3 -0.342 3.166 3.960 -0.755 0.000 0.251 429 G C 0.072 174.953 174.900 -0.031 0.000 1.008 429 G CA 0.629 45.712 45.100 -0.028 0.000 0.724 429 G HN 0.079 nan 8.290 nan 0.000 0.514 430 K N 0.087 120.561 120.400 0.123 0.000 2.276 430 K HA 0.505 4.372 4.320 -0.755 0.000 0.283 430 K C 0.122 176.876 176.600 0.256 0.000 1.044 430 K CA -0.217 56.121 56.287 0.085 0.000 0.944 430 K CB 0.823 33.370 32.500 0.079 0.000 1.012 430 K HN 0.665 nan 8.250 nan 0.000 0.472 431 Y N -1.665 118.718 120.300 0.139 0.000 2.581 431 Y HA 0.654 4.770 4.550 -0.723 0.000 0.345 431 Y C -0.417 175.537 175.900 0.091 0.000 1.036 431 Y CA -1.133 57.063 58.100 0.161 0.000 1.042 431 Y CB 1.716 40.297 38.460 0.202 0.000 1.289 431 Y HN 0.558 nan 8.280 nan 0.000 0.471 432 S N 1.540 117.403 115.700 0.272 0.000 2.588 432 S HA 0.702 4.719 4.470 -0.755 0.000 0.269 432 S C -1.807 172.898 174.600 0.175 0.000 1.157 432 S CA -1.133 57.167 58.200 0.167 0.000 0.824 432 S CB 1.091 64.333 63.200 0.070 0.000 1.126 432 S HN 0.887 nan 8.310 nan 0.000 0.464 433 L N 1.552 122.856 121.223 0.135 0.000 2.357 433 L HA 0.746 4.633 4.340 -0.755 0.000 0.273 433 L C 1.274 178.193 176.870 0.082 0.000 1.080 433 L CA -0.195 54.709 54.840 0.106 0.000 0.803 433 L CB 1.051 43.170 42.059 0.101 0.000 1.174 433 L HN 1.043 nan 8.230 nan 0.000 0.443 434 S N 0.911 116.654 115.700 0.070 0.000 2.677 434 S HA 0.251 4.268 4.470 -0.755 0.000 0.246 434 S C 1.654 176.287 174.600 0.054 0.000 1.005 434 S CA 0.251 58.485 58.200 0.056 0.000 1.062 434 S CB -0.302 62.920 63.200 0.037 0.000 0.778 434 S HN 0.688 nan 8.310 nan 0.000 0.461 435 K N 0.575 121.013 120.400 0.063 0.000 1.998 435 K HA -0.014 3.853 4.320 -0.755 0.000 0.228 435 K C 1.929 178.564 176.600 0.058 0.000 1.053 435 K CA 2.330 58.652 56.287 0.059 0.000 0.988 435 K CB -1.358 31.178 32.500 0.060 0.000 0.735 435 K HN 0.905 nan 8.250 nan 0.000 0.448 436 G N -2.547 106.298 108.800 0.075 0.000 2.571 436 G HA2 0.256 3.763 3.960 -0.755 0.000 0.204 436 G HA3 0.256 3.763 3.960 -0.755 0.000 0.204 436 G C 0.631 175.599 174.900 0.114 0.000 1.315 436 G CA 0.866 46.022 45.100 0.093 0.000 0.593 436 G HN 0.558 nan 8.290 nan 0.000 1.002 437 T N 2.540 117.171 114.554 0.128 0.000 2.767 437 T HA 0.307 4.204 4.350 -0.755 0.000 0.288 437 T C -0.159 174.603 174.700 0.103 0.000 0.963 437 T CA -0.596 61.593 62.100 0.147 0.000 1.019 437 T CB 0.508 69.521 68.868 0.241 0.000 0.923 437 T HN 0.116 nan 8.240 nan 0.000 0.468 438 N N 3.595 122.348 118.700 0.087 0.000 2.657 438 N HA 0.047 4.334 4.740 -0.755 0.000 0.308 438 N C 1.429 176.969 175.510 0.049 0.000 1.212 438 N CA 0.564 53.649 53.050 0.058 0.000 1.157 438 N CB -0.487 38.029 38.487 0.049 0.000 1.462 438 N HN 1.006 nan 8.380 nan 0.000 0.509 439 G N 0.784 109.609 108.800 0.042 0.000 2.280 439 G HA2 -0.328 3.179 3.960 -0.755 0.000 0.282 439 G HA3 -0.328 3.179 3.960 -0.755 0.000 0.282 439 G C 0.130 175.035 174.900 0.008 0.000 1.000 439 G CA 0.764 45.876 45.100 0.020 0.000 0.751 439 G HN 0.451 nan 8.290 nan 0.000 0.515 440 T N 1.461 116.038 114.554 0.039 0.000 2.863 440 T HA 0.535 4.432 4.350 -0.755 0.000 0.299 440 T C 0.810 175.464 174.700 -0.077 0.000 0.973 440 T CA 0.309 62.425 62.100 0.027 0.000 0.994 440 T CB 0.991 69.927 68.868 0.114 0.000 0.961 440 T HN 0.861 nan 8.240 nan 0.000 0.552 441 S N 2.194 117.760 115.700 -0.223 0.000 2.713 441 S HA 0.359 4.376 4.470 -0.755 0.000 0.277 441 S C 1.659 175.811 174.600 -0.746 0.000 1.168 441 S CA -0.855 57.041 58.200 -0.506 0.000 0.994 441 S CB 0.771 63.790 63.200 -0.302 0.000 1.054 441 S HN 0.207 nan 8.310 nan 0.000 0.555 442 V N 1.730 121.084 119.914 -0.933 0.000 2.370 442 V HA -0.179 3.489 4.120 -0.755 0.000 0.252 442 V C 2.677 178.603 176.094 -0.280 0.000 1.068 442 V CA 2.388 64.332 62.300 -0.594 0.000 1.061 442 V CB -1.033 30.581 31.823 -0.348 0.000 0.656 442 V HN 0.828 nan 8.190 nan 0.000 0.455 443 E N 0.781 120.841 120.200 -0.232 0.000 2.106 443 E HA -0.167 3.730 4.350 -0.755 0.000 0.192 443 E C 1.246 177.786 176.600 -0.100 0.000 0.984 443 E CA 1.555 57.874 56.400 -0.135 0.000 0.806 443 E CB -0.358 29.273 29.700 -0.114 0.000 0.750 443 E HN 0.941 nan 8.360 nan 0.000 0.458 444 D N 0.075 120.410 120.400 -0.108 0.000 2.593 444 D HA 0.136 4.323 4.640 -0.755 0.000 0.241 444 D C 0.689 176.966 176.300 -0.038 0.000 1.257 444 D CA -0.345 53.618 54.000 -0.061 0.000 0.828 444 D CB -0.805 39.962 40.800 -0.055 0.000 1.049 444 D HN 0.166 nan 8.370 nan 0.000 0.490 445 I N -2.688 117.862 120.570 -0.034 0.000 2.612 445 I HA 0.461 4.178 4.170 -0.755 0.000 0.295 445 I C -2.117 173.989 176.117 -0.018 0.000 1.011 445 I CA -2.495 58.800 61.300 -0.008 0.000 1.326 445 I CB 0.326 38.350 38.000 0.039 0.000 1.427 445 I HN -0.294 nan 8.210 nan 0.000 0.537 446 P HA -0.057 nan 4.420 nan 0.000 0.260 446 P C -0.790 176.502 177.300 -0.014 0.000 1.185 446 P CA -0.010 63.058 63.100 -0.054 0.000 0.763 446 P CB 0.369 31.923 31.700 -0.243 0.000 0.776 447 C N 5.410 124.786 119.300 0.126 0.000 2.516 447 C HA 0.558 4.565 4.460 -0.755 0.000 0.338 447 C C -0.116 175.037 174.990 0.272 0.000 1.132 447 C CA -0.381 58.755 59.018 0.196 0.000 1.310 447 C CB 0.476 28.295 27.740 0.131 0.000 1.898 447 C HN 0.560 nan 8.230 nan 0.000 0.452 448 V N 3.769 123.880 119.914 0.329 0.000 3.096 448 V HA 1.040 4.707 4.120 -0.755 0.000 0.319 448 V C 0.064 176.333 176.094 0.292 0.000 1.103 448 V CA -0.172 62.278 62.300 0.251 0.000 1.016 448 V CB 1.545 33.469 31.823 0.169 0.000 1.090 448 V HN 1.397 nan 8.190 nan 0.000 0.449 449 A N 1.564 124.526 122.820 0.237 0.000 2.380 449 A HA 0.909 4.776 4.320 -0.755 0.000 0.315 449 A C -0.945 176.701 177.584 0.102 0.000 1.101 449 A CA -0.731 51.437 52.037 0.217 0.000 0.771 449 A CB 2.060 21.263 19.000 0.338 0.000 1.287 449 A HN 1.463 nan 8.150 nan 0.000 0.436 450 V N 2.323 122.251 119.914 0.022 0.000 2.462 450 V HA 0.429 4.096 4.120 -0.755 0.000 0.288 450 V C -0.929 175.133 176.094 -0.053 0.000 1.020 450 V CA -0.402 61.902 62.300 0.006 0.000 0.857 450 V CB 1.245 33.069 31.823 0.001 0.000 1.013 450 V HN 1.068 nan 8.190 nan 0.000 0.431 451 E N 3.793 123.957 120.200 -0.060 0.000 2.299 451 E HA 0.914 4.811 4.350 -0.755 0.000 0.265 451 E C -0.164 176.335 176.600 -0.168 0.000 0.911 451 E CA -0.872 55.383 56.400 -0.243 0.000 0.789 451 E CB 2.445 31.868 29.700 -0.460 0.000 1.246 451 E HN 0.584 nan 8.360 nan 0.000 0.427 452 A N 1.632 124.324 122.820 -0.213 0.000 2.758 452 A HA 0.657 4.524 4.320 -0.755 0.000 0.223 452 A C 0.664 178.165 177.584 -0.139 0.000 0.877 452 A CA -0.045 51.917 52.037 -0.126 0.000 1.152 452 A CB -0.576 18.378 19.000 -0.076 0.000 1.239 452 A HN 1.301 nan 8.150 nan 0.000 0.470 453 G N 0.983 109.660 108.800 -0.205 0.000 2.894 453 G HA2 -0.109 3.398 3.960 -0.755 0.000 0.247 453 G HA3 -0.109 3.398 3.960 -0.755 0.000 0.247 453 G C -2.269 172.540 174.900 -0.152 0.000 1.442 453 G CA -0.302 44.699 45.100 -0.166 0.000 0.897 453 G HN 0.597 nan 8.290 nan 0.000 0.550 454 P HA 0.532 nan 4.420 nan 0.000 0.269 454 P C 0.153 177.416 177.300 -0.061 0.000 1.215 454 P CA 0.119 63.174 63.100 -0.074 0.000 0.780 454 P CB 0.830 32.503 31.700 -0.045 0.000 0.898 466 C N 2.242 121.450 119.300 -0.153 0.000 2.626 466 C HA 0.383 4.391 4.460 -0.755 0.000 0.266 466 C C 2.729 177.562 174.990 -0.261 0.000 1.317 466 C CA 0.969 59.791 59.018 -0.328 0.000 1.716 466 C CB -0.785 26.494 27.740 -0.769 0.000 1.819 466 C HN 0.420 nan 8.230 nan 0.000 0.578 467 S N 1.086 116.659 115.700 -0.212 0.000 2.425 467 S HA -0.057 3.960 4.470 -0.755 0.000 0.225 467 S C 1.717 176.079 174.600 -0.397 0.000 1.024 467 S CA 0.499 58.536 58.200 -0.271 0.000 0.951 467 S CB -0.196 62.964 63.200 -0.067 0.000 0.796 467 S HN 0.587 nan 8.310 nan 0.000 0.498 468 L N 2.490 123.235 121.223 -0.797 0.000 2.083 468 L HA 0.037 3.924 4.340 -0.755 0.000 0.209 468 L C 2.149 178.784 176.870 -0.391 0.000 1.083 468 L CA 1.867 56.188 54.840 -0.865 0.000 0.752 468 L CB -1.309 40.219 42.059 -0.885 0.000 0.899 468 L HN 0.285 nan 8.230 nan 0.000 0.433 469 G N -1.276 107.331 108.800 -0.322 0.000 2.459 469 G HA2 -0.292 3.216 3.960 -0.755 0.000 0.217 469 G HA3 -0.292 3.216 3.960 -0.755 0.000 0.217 469 G C 1.532 176.323 174.900 -0.182 0.000 1.183 469 G CA 0.990 45.948 45.100 -0.237 0.000 0.776 469 G HN 0.503 nan 8.290 nan 0.000 0.552 470 S N 0.297 115.909 115.700 -0.146 0.000 2.382 470 S HA -0.124 3.894 4.470 -0.755 0.000 0.228 470 S C 2.455 177.030 174.600 -0.041 0.000 1.027 470 S CA 1.724 59.898 58.200 -0.043 0.000 0.991 470 S CB -0.487 62.770 63.200 0.094 0.000 0.823 470 S HN 0.468 nan 8.310 nan 0.000 0.469 471 T N 2.968 117.481 114.554 -0.068 0.000 2.668 471 T HA 0.055 3.952 4.350 -0.755 0.000 0.262 471 T C 1.795 176.480 174.700 -0.024 0.000 1.045 471 T CA 1.167 63.253 62.100 -0.022 0.000 1.152 471 T CB -0.517 68.359 68.868 0.014 0.000 0.864 471 T HN 0.301 nan 8.240 nan 0.000 0.419 472 I N 1.651 122.187 120.570 -0.056 0.000 2.236 472 I HA -0.281 3.436 4.170 -0.755 0.000 0.249 472 I C 2.914 179.020 176.117 -0.019 0.000 1.102 472 I CA 1.293 62.574 61.300 -0.033 0.000 1.365 472 I CB -0.576 37.393 38.000 -0.051 0.000 1.051 472 I HN 0.221 nan 8.210 nan 0.000 0.420 473 A N -0.116 122.676 122.820 -0.047 0.000 1.908 473 A HA -0.243 3.624 4.320 -0.755 0.000 0.218 473 A C 2.425 180.007 177.584 -0.002 0.000 1.181 473 A CA 1.996 54.007 52.037 -0.044 0.000 0.627 473 A CB -1.180 17.754 19.000 -0.111 0.000 0.818 473 A HN 0.564 nan 8.150 nan 0.000 0.445 474 C N -0.855 118.450 119.300 0.008 0.000 2.450 474 C HA -0.040 3.967 4.460 -0.755 0.000 0.279 474 C C 2.878 177.886 174.990 0.029 0.000 1.335 474 C CA 1.080 60.114 59.018 0.027 0.000 1.749 474 C CB -0.976 26.782 27.740 0.030 0.000 1.963 474 C HN 0.565 nan 8.230 nan 0.000 0.501 475 M N 0.697 120.314 119.600 0.028 0.000 2.077 475 M HA -0.017 4.010 4.480 -0.755 0.000 0.261 475 M C 2.032 178.358 176.300 0.044 0.000 1.070 475 M CA 1.717 57.038 55.300 0.036 0.000 1.125 475 M CB -1.306 31.318 32.600 0.039 0.000 1.339 475 M HN 0.322 nan 8.290 nan 0.000 0.409 476 I N -0.031 120.567 120.570 0.048 0.000 2.286 476 I HA -0.188 3.529 4.170 -0.755 0.000 0.248 476 I C 2.541 178.704 176.117 0.077 0.000 1.115 476 I CA 1.277 62.615 61.300 0.063 0.000 1.392 476 I CB -1.088 36.952 38.000 0.066 0.000 1.065 476 I HN 0.342 nan 8.210 nan 0.000 0.418 477 G N 0.697 109.541 108.800 0.073 0.000 2.422 477 G HA2 -0.181 3.326 3.960 -0.755 0.000 0.218 477 G HA3 -0.181 3.326 3.960 -0.755 0.000 0.218 477 G C 1.686 176.664 174.900 0.129 0.000 1.146 477 G CA 0.837 46.000 45.100 0.105 0.000 0.769 477 G HN 0.506 nan 8.290 nan 0.000 0.547 478 G N -0.530 108.302 108.800 0.054 0.000 2.511 478 G HA2 0.045 3.553 3.960 -0.755 0.000 0.217 478 G HA3 0.045 3.553 3.960 -0.755 0.000 0.217 478 G C 0.870 175.777 174.900 0.012 0.000 1.133 478 G CA -0.113 44.967 45.100 -0.033 0.000 0.792 478 G HN 0.300 nan 8.290 nan 0.000 0.539 479 Q N 1.231 121.078 119.800 0.077 0.000 2.283 479 Q HA 0.155 4.042 4.340 -0.755 0.000 0.301 479 Q C -2.150 173.944 176.000 0.156 0.000 1.063 479 Q CA -0.727 55.130 55.803 0.090 0.000 0.952 479 Q CB 1.032 29.816 28.738 0.077 0.000 1.166 479 Q HN 0.247 nan 8.270 nan 0.000 0.381 480 P HA 0.241 nan 4.420 nan 0.000 0.286 480 P C 0.528 177.870 177.300 0.070 0.000 1.292 480 P CA -0.575 62.617 63.100 0.153 0.000 0.842 480 P CB 0.781 32.555 31.700 0.123 0.000 1.207 481 S N -0.066 115.658 115.700 0.040 0.000 2.408 481 S HA -0.262 3.756 4.470 -0.755 0.000 0.241 481 S C 1.191 175.795 174.600 0.006 0.000 1.080 481 S CA 2.202 60.405 58.200 0.005 0.000 1.109 481 S CB -0.895 62.304 63.200 -0.002 0.000 0.966 481 S HN 0.571 nan 8.310 nan 0.000 0.449 482 E N 0.709 120.921 120.200 0.020 0.000 2.502 482 E HA 0.259 4.157 4.350 -0.755 0.000 0.194 482 E C 1.165 177.782 176.600 0.029 0.000 1.062 482 E CA 0.345 56.756 56.400 0.019 0.000 0.867 482 E CB -0.414 29.299 29.700 0.022 0.000 0.888 482 E HN 0.487 nan 8.360 nan 0.000 0.510 483 G N 1.018 109.840 108.800 0.036 0.000 2.466 483 G HA2 0.045 3.552 3.960 -0.755 0.000 0.279 483 G HA3 0.045 3.552 3.960 -0.755 0.000 0.279 483 G C -0.331 174.600 174.900 0.052 0.000 1.410 483 G CA -0.366 44.764 45.100 0.050 0.000 1.065 483 G HN 0.260 nan 8.290 nan 0.000 0.547 484 N N -1.898 116.845 118.700 0.072 0.000 2.478 484 N HA 0.234 4.521 4.740 -0.755 0.000 0.291 484 N C 0.597 176.149 175.510 0.071 0.000 1.090 484 N CA -0.663 52.424 53.050 0.061 0.000 0.911 484 N CB 1.694 40.223 38.487 0.070 0.000 1.546 484 N HN 0.288 nan 8.380 nan 0.000 0.500 485 L N 4.175 125.436 121.223 0.063 0.000 2.046 485 L HA 0.115 4.002 4.340 -0.755 0.000 0.208 485 L C 1.508 178.470 176.870 0.154 0.000 1.077 485 L CA 1.823 56.721 54.840 0.096 0.000 0.747 485 L CB -0.787 41.326 42.059 0.089 0.000 0.896 485 L HN 0.743 nan 8.230 nan 0.000 0.432 486 F N -0.181 119.757 119.950 -0.020 0.000 2.102 486 F HA -0.219 3.855 4.527 -0.755 0.000 0.298 486 F C 2.591 178.408 175.800 0.029 0.000 1.105 486 F CA 1.945 59.933 58.000 -0.020 0.000 1.239 486 F CB -0.680 38.264 39.000 -0.093 0.000 0.991 486 F HN 0.264 nan 8.300 nan 0.000 0.474 487 H N 0.140 119.145 119.070 -0.109 0.000 2.319 487 H HA -0.062 4.042 4.556 -0.753 0.000 0.299 487 H C 2.424 177.664 175.328 -0.147 0.000 1.092 487 H CA 1.321 57.241 56.048 -0.213 0.000 1.302 487 H CB -1.171 28.549 29.762 -0.069 0.000 1.373 487 H HN 0.355 nan 8.280 nan 0.000 0.497 488 A N 0.684 123.549 122.820 0.076 0.000 1.892 488 A HA -0.176 3.691 4.320 -0.755 0.000 0.218 488 A C 2.882 180.479 177.584 0.021 0.000 1.188 488 A CA 2.239 54.306 52.037 0.051 0.000 0.631 488 A CB -1.005 18.033 19.000 0.064 0.000 0.822 488 A HN 0.238 nan 8.150 nan 0.000 0.447 489 V N -0.488 119.431 119.914 0.008 0.000 2.295 489 V HA -0.241 3.427 4.120 -0.755 0.000 0.246 489 V C 2.556 178.628 176.094 -0.037 0.000 1.049 489 V CA 1.973 64.278 62.300 0.008 0.000 1.024 489 V CB -0.966 30.896 31.823 0.064 0.000 0.648 489 V HN 0.373 nan 8.190 nan 0.000 0.447 490 V N 0.391 120.217 119.914 -0.146 0.000 2.287 490 V HA -0.291 3.376 4.120 -0.755 0.000 0.248 490 V C 2.770 178.847 176.094 -0.028 0.000 1.053 490 V CA 2.067 64.286 62.300 -0.136 0.000 1.027 490 V CB -1.263 30.391 31.823 -0.282 0.000 0.646 490 V HN 0.563 nan 8.190 nan 0.000 0.447 491 A N 0.631 123.446 122.820 -0.009 0.000 1.884 491 A HA -0.217 3.650 4.320 -0.755 0.000 0.219 491 A C 2.464 180.115 177.584 0.111 0.000 1.197 491 A CA 2.376 54.454 52.037 0.067 0.000 0.637 491 A CB -1.474 17.559 19.000 0.056 0.000 0.827 491 A HN 0.555 nan 8.150 nan 0.000 0.450 492 G N -0.819 108.021 108.800 0.065 0.000 2.440 492 G HA2 -0.157 3.350 3.960 -0.755 0.000 0.218 492 G HA3 -0.157 3.350 3.960 -0.755 0.000 0.218 492 G C 1.485 176.427 174.900 0.071 0.000 1.154 492 G CA 1.396 46.532 45.100 0.059 0.000 0.767 492 G HN 0.403 nan 8.290 nan 0.000 0.552 493 V N 1.131 121.076 119.914 0.052 0.000 2.515 493 V HA -0.131 3.536 4.120 -0.755 0.000 0.250 493 V C 2.905 179.058 176.094 0.097 0.000 1.058 493 V CA 1.520 63.857 62.300 0.062 0.000 1.064 493 V CB -0.299 31.541 31.823 0.030 0.000 0.675 493 V HN 0.299 nan 8.190 nan 0.000 0.461 494 M N -0.760 118.906 119.600 0.110 0.000 2.064 494 M HA -0.121 3.906 4.480 -0.755 0.000 0.260 494 M C 2.319 178.677 176.300 0.096 0.000 1.073 494 M CA 1.790 57.186 55.300 0.161 0.000 1.124 494 M CB -1.031 31.731 32.600 0.271 0.000 1.326 494 M HN 0.273 nan 8.290 nan 0.000 0.410 495 L N -0.735 120.536 121.223 0.080 0.000 2.051 495 L HA -0.302 3.586 4.340 -0.755 0.000 0.214 495 L C 2.607 179.344 176.870 -0.220 0.000 1.076 495 L CA 1.966 56.648 54.840 -0.264 0.000 0.758 495 L CB -0.553 41.458 42.059 -0.080 0.000 0.890 495 L HN 0.234 nan 8.230 nan 0.000 0.433 496 Y N 0.584 120.796 120.300 -0.147 0.000 2.153 496 Y HA -0.293 3.805 4.550 -0.752 0.000 0.289 496 Y C 2.648 178.484 175.900 -0.106 0.000 1.127 496 Y CA 1.973 60.002 58.100 -0.119 0.000 1.131 496 Y CB -0.093 38.325 38.460 -0.070 0.000 0.995 496 Y HN -0.010 nan 8.280 nan 0.000 0.505 497 K N 0.548 120.975 120.400 0.045 0.000 2.103 497 K HA -0.142 3.726 4.320 -0.755 0.000 0.207 497 K C 2.131 178.652 176.600 -0.131 0.000 1.048 497 K CA 1.354 57.629 56.287 -0.021 0.000 0.930 497 K CB -0.723 31.794 32.500 0.029 0.000 0.716 497 K HN 0.427 nan 8.250 nan 0.000 0.444 498 A N 0.283 122.989 122.820 -0.190 0.000 1.855 498 A HA -0.036 3.831 4.320 -0.755 0.000 0.215 498 A C 2.265 179.645 177.584 -0.340 0.000 1.191 498 A CA 1.888 53.757 52.037 -0.279 0.000 0.613 498 A CB -1.011 17.674 19.000 -0.524 0.000 0.829 498 A HN 0.334 nan 8.150 nan 0.000 0.442 499 A N -0.720 121.848 122.820 -0.421 0.000 2.216 499 A HA 0.227 4.095 4.320 -0.755 0.000 0.214 499 A C 2.079 179.439 177.584 -0.374 0.000 1.160 499 A CA 1.586 53.386 52.037 -0.395 0.000 0.725 499 A CB -0.927 17.830 19.000 -0.405 0.000 0.784 499 A HN 0.654 nan 8.150 nan 0.000 0.472 500 G N -0.607 107.997 108.800 -0.327 0.000 2.408 500 G HA2 0.112 3.619 3.960 -0.755 0.000 0.213 500 G HA3 0.112 3.619 3.960 -0.755 0.000 0.213 500 G C 1.750 176.623 174.900 -0.045 0.000 1.177 500 G CA 1.315 46.308 45.100 -0.178 0.000 0.802 500 G HN 0.700 nan 8.290 nan 0.000 0.533 501 K N 1.160 121.515 120.400 -0.075 0.000 2.009 501 K HA 0.049 3.916 4.320 -0.755 0.000 0.210 501 K C 2.343 178.914 176.600 -0.049 0.000 1.049 501 K CA 1.485 57.748 56.287 -0.040 0.000 0.929 501 K CB -0.947 31.523 32.500 -0.050 0.000 0.714 501 K HN 0.374 nan 8.250 nan 0.000 0.440 502 I N 0.636 121.143 120.570 -0.106 0.000 2.151 502 I HA -0.296 3.422 4.170 -0.755 0.000 0.243 502 I C 3.030 179.078 176.117 -0.115 0.000 1.080 502 I CA 1.420 62.654 61.300 -0.110 0.000 1.339 502 I CB -0.407 37.503 38.000 -0.150 0.000 1.039 502 I HN 0.465 nan 8.210 nan 0.000 0.409 503 A N 0.696 123.399 122.820 -0.196 0.000 1.877 503 A HA -0.241 3.626 4.320 -0.755 0.000 0.216 503 A C 2.499 180.045 177.584 -0.063 0.000 1.186 503 A CA 2.208 54.072 52.037 -0.289 0.000 0.620 503 A CB -0.969 17.577 19.000 -0.756 0.000 0.822 503 A HN 0.533 nan 8.150 nan 0.000 0.443 504 S N -0.023 115.774 115.700 0.162 0.000 2.419 504 S HA -0.241 3.776 4.470 -0.755 0.000 0.235 504 S C 1.607 176.277 174.600 0.116 0.000 1.019 504 S CA 1.752 60.134 58.200 0.304 0.000 0.982 504 S CB -0.438 62.905 63.200 0.239 0.000 0.789 504 S HN 0.676 nan 8.310 nan 0.000 0.490 505 E N 1.204 121.431 120.200 0.045 0.000 2.051 505 E HA 0.045 3.942 4.350 -0.755 0.000 0.189 505 E C 1.821 178.426 176.600 0.007 0.000 0.979 505 E CA 0.903 57.313 56.400 0.016 0.000 0.803 505 E CB -0.048 29.649 29.700 -0.004 0.000 0.761 505 E HN 0.564 nan 8.360 nan 0.000 0.451 506 K N 0.497 120.890 120.400 -0.012 0.000 2.569 506 K HA 0.053 3.921 4.320 -0.755 0.000 0.193 506 K C 0.241 176.833 176.600 -0.014 0.000 1.026 506 K CA -0.048 56.225 56.287 -0.023 0.000 1.093 506 K CB -0.214 32.257 32.500 -0.048 0.000 0.849 506 K HN 0.215 nan 8.250 nan 0.000 0.509 507 C N -1.429 117.880 119.300 0.015 0.000 2.719 507 C HA 0.460 4.467 4.460 -0.755 0.000 0.327 507 C C 0.549 175.560 174.990 0.035 0.000 1.238 507 C CA -1.042 57.994 59.018 0.031 0.000 1.727 507 C CB 1.253 29.046 27.740 0.088 0.000 2.256 507 C HN 0.242 nan 8.230 nan 0.000 0.489 508 N N 0.519 119.235 118.700 0.027 0.000 2.204 508 N HA 0.420 4.708 4.740 -0.755 0.000 0.219 508 N C 0.417 175.937 175.510 0.015 0.000 1.151 508 N CA 0.846 53.905 53.050 0.015 0.000 0.867 508 N CB 1.317 39.806 38.487 0.003 0.000 1.043 508 N HN 1.164 nan 8.380 nan 0.000 0.516 509 G N -0.553 108.267 108.800 0.033 0.000 2.327 509 G HA2 0.013 3.521 3.960 -0.755 0.000 0.291 509 G HA3 0.013 3.521 3.960 -0.755 0.000 0.291 509 G C 0.125 175.050 174.900 0.042 0.000 1.290 509 G CA -0.382 44.729 45.100 0.018 0.000 0.857 509 G HN -0.086 nan 8.290 nan 0.000 0.520 510 S N -0.348 115.354 115.700 0.003 0.000 2.353 510 S HA -0.093 3.925 4.470 -0.755 0.000 0.222 510 S C 2.570 177.194 174.600 0.040 0.000 1.035 510 S CA 2.647 60.848 58.200 0.002 0.000 1.025 510 S CB -0.858 62.319 63.200 -0.039 0.000 0.902 510 S HN 1.371 nan 8.310 nan 0.000 0.440 511 G N 1.804 110.605 108.800 0.002 0.000 2.545 511 G HA2 -0.277 3.230 3.960 -0.755 0.000 0.217 511 G HA3 -0.277 3.230 3.960 -0.755 0.000 0.217 511 G C 1.716 176.610 174.900 -0.010 0.000 1.218 511 G CA 1.701 46.788 45.100 -0.021 0.000 0.787 511 G HN 0.672 nan 8.290 nan 0.000 0.571 512 S N 0.292 115.996 115.700 0.008 0.000 2.399 512 S HA -0.088 3.929 4.470 -0.755 0.000 0.231 512 S C 2.113 176.714 174.600 0.002 0.000 1.022 512 S CA 1.339 59.536 58.200 -0.006 0.000 0.983 512 S CB -0.549 62.648 63.200 -0.005 0.000 0.803 512 S HN 0.380 nan 8.310 nan 0.000 0.480 513 F N 2.250 122.163 119.950 -0.063 0.000 2.154 513 F HA -0.141 3.933 4.527 -0.755 0.000 0.301 513 F C 2.628 178.394 175.800 -0.056 0.000 1.087 513 F CA 1.931 59.897 58.000 -0.057 0.000 1.274 513 F CB -0.392 38.576 39.000 -0.054 0.000 1.009 513 F HN 0.266 nan 8.300 nan 0.000 0.485 514 Q N -0.263 119.550 119.800 0.021 0.000 2.020 514 Q HA -0.167 3.720 4.340 -0.755 0.000 0.198 514 Q C 2.442 178.374 176.000 -0.114 0.000 0.974 514 Q CA 1.852 57.596 55.803 -0.098 0.000 0.829 514 Q CB -0.437 28.147 28.738 -0.255 0.000 0.894 514 Q HN 0.415 nan 8.270 nan 0.000 0.433 515 V N 0.637 120.491 119.914 -0.100 0.000 2.594 515 V HA -0.186 3.481 4.120 -0.755 0.000 0.253 515 V C 1.673 177.709 176.094 -0.096 0.000 1.069 515 V CA 1.873 64.133 62.300 -0.066 0.000 1.082 515 V CB -0.286 31.501 31.823 -0.059 0.000 0.680 515 V HN 0.357 nan 8.190 nan 0.000 0.469 516 E N -0.053 120.050 120.200 -0.163 0.000 2.208 516 E HA -0.072 3.825 4.350 -0.755 0.000 0.193 516 E C 2.058 178.499 176.600 -0.265 0.000 0.988 516 E CA 1.222 57.504 56.400 -0.196 0.000 0.828 516 E CB -0.122 29.452 29.700 -0.209 0.000 0.763 516 E HN 0.674 nan 8.360 nan 0.000 0.478 517 L N 0.468 121.473 121.223 -0.363 0.000 2.027 517 L HA -0.115 3.772 4.340 -0.755 0.000 0.206 517 L C 2.279 179.052 176.870 -0.163 0.000 1.074 517 L CA 0.874 55.492 54.840 -0.369 0.000 0.745 517 L CB -0.133 41.685 42.059 -0.401 0.000 0.898 517 L HN 0.071 nan 8.230 nan 0.000 0.433 518 I N -0.033 120.516 120.570 -0.036 0.000 2.226 518 I HA -0.331 3.387 4.170 -0.755 0.000 0.245 518 I C 2.073 178.188 176.117 -0.003 0.000 1.100 518 I CA 1.316 62.627 61.300 0.018 0.000 1.374 518 I CB -0.470 37.583 38.000 0.088 0.000 1.057 518 I HN 0.291 nan 8.210 nan 0.000 0.413 519 D N 1.113 121.492 120.400 -0.036 0.000 2.092 519 D HA -0.186 4.002 4.640 -0.755 0.000 0.193 519 D C 2.280 178.582 176.300 0.004 0.000 0.994 519 D CA 1.784 55.775 54.000 -0.016 0.000 0.828 519 D CB -0.291 40.477 40.800 -0.054 0.000 0.963 519 D HN 0.343 nan 8.370 nan 0.000 0.450 520 A N 0.402 123.170 122.820 -0.087 0.000 1.940 520 A HA -0.143 3.724 4.320 -0.755 0.000 0.219 520 A C 2.409 179.908 177.584 -0.143 0.000 1.176 520 A CA 0.980 52.939 52.037 -0.131 0.000 0.631 520 A CB -0.754 18.118 19.000 -0.213 0.000 0.814 520 A HN 0.242 nan 8.150 nan 0.000 0.446 521 L N -2.350 118.800 121.223 -0.122 0.000 2.056 521 L HA -0.183 3.704 4.340 -0.755 0.000 0.207 521 L C 2.566 179.410 176.870 -0.043 0.000 1.078 521 L CA 1.749 56.522 54.840 -0.113 0.000 0.749 521 L CB -0.566 41.449 42.059 -0.073 0.000 0.901 521 L HN 0.608 nan 8.230 nan 0.000 0.433 522 Y N 0.822 121.073 120.300 -0.081 0.000 2.114 522 Y HA -0.260 3.837 4.550 -0.755 0.000 0.284 522 Y C 2.816 178.691 175.900 -0.042 0.000 1.143 522 Y CA 1.617 59.687 58.100 -0.050 0.000 1.135 522 Y CB -0.088 38.347 38.460 -0.041 0.000 0.980 522 Y HN -0.036 nan 8.280 nan 0.000 0.499 523 R N -0.792 119.742 120.500 0.055 0.000 2.066 523 R HA -0.146 3.741 4.340 -0.755 0.000 0.232 523 R C 2.075 178.332 176.300 -0.071 0.000 1.131 523 R CA 1.294 57.391 56.100 -0.005 0.000 0.955 523 R CB -0.624 29.700 30.300 0.040 0.000 0.851 523 R HN 0.288 nan 8.270 nan 0.000 0.432 524 L N 0.808 121.972 121.223 -0.098 0.000 2.043 524 L HA -0.190 3.698 4.340 -0.755 0.000 0.212 524 L C 2.507 179.401 176.870 0.041 0.000 1.075 524 L CA 2.281 57.064 54.840 -0.095 0.000 0.752 524 L CB -1.161 40.671 42.059 -0.379 0.000 0.891 524 L HN 0.383 nan 8.230 nan 0.000 0.432 525 T N -5.297 109.228 114.554 -0.048 0.000 3.054 525 T HA -0.051 3.846 4.350 -0.755 0.000 0.259 525 T C 2.000 176.653 174.700 -0.078 0.000 1.092 525 T CA 0.084 62.177 62.100 -0.011 0.000 1.121 525 T CB -0.040 68.800 68.868 -0.047 0.000 0.912 525 T HN -0.017 nan 8.240 nan 0.000 0.489 526 R N 2.550 122.938 120.500 -0.187 0.000 2.189 526 R HA 0.120 4.007 4.340 -0.755 0.000 0.223 526 R C 0.649 176.904 176.300 -0.075 0.000 1.092 526 R CA 0.703 56.688 56.100 -0.192 0.000 0.989 526 R CB -0.322 29.787 30.300 -0.319 0.000 0.876 526 R HN 0.849 nan 8.270 nan 0.000 0.457 527 E N -0.027 120.161 120.200 -0.020 0.000 2.255 527 E HA 0.265 4.162 4.350 -0.755 0.000 0.245 527 E C -1.172 175.472 176.600 0.073 0.000 0.909 527 E CA -0.682 55.730 56.400 0.021 0.000 0.747 527 E CB 0.527 30.247 29.700 0.033 0.000 1.215 527 E HN -0.153 nan 8.360 nan 0.000 0.424 528 N N 2.421 121.141 118.700 0.034 0.000 2.410 528 N HA 0.023 4.311 4.740 -0.755 0.000 0.281 528 N C -0.531 174.944 175.510 -0.059 0.000 1.241 528 N CA 0.214 53.273 53.050 0.015 0.000 0.998 528 N CB 0.656 39.121 38.487 -0.037 0.000 1.376 528 N HN 0.617 nan 8.380 nan 0.000 0.490 529 T N -2.054 112.468 114.554 -0.054 0.000 3.483 529 T HA 0.298 4.195 4.350 -0.755 0.000 0.258 529 T C -2.004 172.452 174.700 -0.406 0.000 1.013 529 T CA -1.555 60.462 62.100 -0.139 0.000 1.078 529 T CB 0.880 69.740 68.868 -0.014 0.000 1.111 529 T HN 0.026 nan 8.240 nan 0.000 0.538 530 P HA -0.053 nan 4.420 nan 0.000 0.219 530 P C 2.016 178.869 177.300 -0.745 0.000 1.144 530 P CA 1.105 63.311 63.100 -1.491 0.000 0.806 530 P CB -0.219 30.776 31.700 -1.174 0.000 0.771 531 V N -0.966 118.710 119.914 -0.396 0.000 2.469 531 V HA -0.314 3.353 4.120 -0.755 0.000 0.251 531 V C 2.409 178.432 176.094 -0.117 0.000 1.064 531 V CA 2.942 65.121 62.300 -0.203 0.000 1.066 531 V CB -1.857 29.884 31.823 -0.137 0.000 0.667 531 V HN 0.111 nan 8.190 nan 0.000 0.461 532 T N -0.647 113.850 114.554 -0.096 0.000 2.720 532 T HA -0.099 3.798 4.350 -0.755 0.000 0.268 532 T C 0.530 175.350 174.700 0.201 0.000 1.037 532 T CA 0.985 63.127 62.100 0.070 0.000 1.144 532 T CB -0.342 68.629 68.868 0.172 0.000 0.864 532 T HN 0.715 nan 8.240 nan 0.000 0.444 533 W N 0.978 122.259 121.300 -0.031 0.000 2.210 533 W HA 0.511 4.718 4.660 -0.756 0.000 0.330 533 W C 1.520 178.020 176.519 -0.031 0.000 1.334 533 W CA -1.541 55.784 57.345 -0.033 0.000 1.227 533 W CB -0.556 28.882 29.460 -0.037 0.000 1.178 533 W HN 0.164 nan 8.180 nan 0.000 0.560 534 A N 4.863 127.792 122.820 0.181 0.000 1.948 534 A HA -0.107 3.761 4.320 -0.755 0.000 0.220 534 A C -0.991 176.632 177.584 0.065 0.000 1.177 534 A CA 1.017 53.102 52.037 0.080 0.000 0.636 534 A CB -2.123 16.889 19.000 0.021 0.000 0.815 534 A HN 0.430 nan 8.150 nan 0.000 0.449 535 P HA 0.301 nan 4.420 nan 0.000 0.286 535 P C -1.218 176.116 177.300 0.057 0.000 1.269 535 P CA -0.149 62.981 63.100 0.051 0.000 0.787 535 P CB 0.949 32.685 31.700 0.060 0.000 0.920 536 K N 2.619 123.037 120.400 0.030 0.000 2.211 536 K HA 0.372 4.240 4.320 -0.755 0.000 0.275 536 K C -0.260 176.366 176.600 0.042 0.000 1.024 536 K CA -0.868 55.441 56.287 0.036 0.000 0.887 536 K CB 0.914 33.436 32.500 0.037 0.000 1.084 536 K HN 0.323 nan 8.250 nan 0.000 0.463 537 L N 3.973 125.216 121.223 0.034 0.000 2.287 537 L HA 0.194 4.081 4.340 -0.755 0.000 0.280 537 L C -0.038 176.844 176.870 0.020 0.000 1.055 537 L CA 0.154 55.008 54.840 0.024 0.000 0.863 537 L CB 0.481 42.538 42.059 -0.003 0.000 1.245 537 L HN 0.760 nan 8.230 nan 0.000 0.432 538 T N 0.538 115.127 114.554 0.058 0.000 2.888 538 T HA 0.462 4.359 4.350 -0.755 0.000 0.283 538 T C 0.322 175.041 174.700 0.033 0.000 1.013 538 T CA -0.571 61.576 62.100 0.078 0.000 0.938 538 T CB 0.620 69.575 68.868 0.145 0.000 1.298 538 T HN 0.467 nan 8.240 nan 0.000 0.580 539 H N -0.145 119.002 119.070 0.128 0.000 2.495 539 H HA 0.597 4.700 4.556 -0.755 0.000 0.350 539 H C 0.892 176.304 175.328 0.139 0.000 1.202 539 H CA 0.067 56.196 56.048 0.134 0.000 1.322 539 H CB 1.274 31.098 29.762 0.103 0.000 1.544 539 H HN 1.073 nan 8.280 nan 0.000 0.565 540 T N 0.000 114.723 114.554 0.282 0.000 3.816 540 T HA 0.000 3.897 4.350 -0.755 0.000 0.228 540 T CA 0.000 62.210 62.100 0.183 0.000 1.349 540 T CB 0.000 68.967 68.868 0.165 0.000 0.612 540 T HN 0.000 nan 8.240 nan 0.000 0.658