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 1u15_1_B DATA FIRST_RESID 17 DATA SEQUENCE TDPIMEKLNS SIAYDQRLSE VDIQASIAYA KALEKAGILT KTELEKILSG DATA SEQUENCE LEKISEEWSK GVFVVKQSDE DIHTANERRL KELIGDIAGK LHTGRSRNEQ DATA SEQUENCE VVTDLKLFMK NSLSIISTHL LQLIKTLVER AAIEIDVILP GYTHLQKAQP DATA SEQUENCE IRWSQFLLSH AVALTRDSER LGEVKKRINV LPLGSGALAG NPLDIDREML DATA SEQUENCE RSELEFASIS LNSMDAISER DFVVEFLSVA TLLLIHLSKM AEDLIIYSTS DATA SEQUENCE EFGFLTLSDA FSTGSSLMPQ KKNPDSLELI RSKAGRVFGR LASILMVLKG DATA SEQUENCE LPSTYNKDLQ EDKEAVIDVV DTLTAVLQVA TGVISTLQIS KENMEKALTP DATA SEQUENCE EMLATDLALY LVRKGMPFRQ AHTASGKAVH LAETKGIAIN NLTLEDLKSI DATA SEQUENCE SPLFSSDVSQ VFNFVNSVEQ YTALGGTAKS SVTTQIEQLR ELMKKQKEQA 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 17 T HA 0.000 nan 4.350 nan 0.000 0.228 17 T C 0.000 174.704 174.700 0.007 0.000 1.109 17 T CA 0.000 62.104 62.100 0.007 0.000 1.349 17 T CB 0.000 68.873 68.868 0.009 0.000 0.612 18 D N 3.357 123.761 120.400 0.007 0.000 2.414 18 D HA 0.094 4.734 4.640 -0.000 0.000 0.242 18 D C -1.102 175.202 176.300 0.007 0.000 1.129 18 D CA -1.601 52.403 54.000 0.006 0.000 0.885 18 D CB 1.515 42.319 40.800 0.006 0.000 1.198 18 D HN 0.108 nan 8.370 nan 0.000 0.437 19 P HA -0.169 nan 4.420 nan 0.000 0.213 19 P C 1.929 179.234 177.300 0.008 0.000 1.170 19 P CA 1.107 64.211 63.100 0.007 0.000 0.898 19 P CB 0.194 31.898 31.700 0.006 0.000 0.787 20 I N -1.360 119.215 120.570 0.008 0.000 2.335 20 I HA -0.223 3.947 4.170 -0.000 0.000 0.251 20 I C 2.748 178.871 176.117 0.010 0.000 1.129 20 I CA 1.251 62.556 61.300 0.009 0.000 1.402 20 I CB -0.653 37.351 38.000 0.007 0.000 1.069 20 I HN -0.097 nan 8.210 nan 0.000 0.424 21 M N 0.241 119.847 119.600 0.010 0.000 2.213 21 M HA -0.167 4.313 4.480 -0.000 0.000 0.263 21 M C 2.162 178.471 176.300 0.014 0.000 1.062 21 M CA 1.712 57.019 55.300 0.012 0.000 1.105 21 M CB -0.752 31.854 32.600 0.011 0.000 1.385 21 M HN 0.283 nan 8.290 nan 0.000 0.417 22 E N 0.002 120.210 120.200 0.012 0.000 2.107 22 E HA -0.152 4.198 4.350 -0.000 0.000 0.191 22 E C 2.233 178.840 176.600 0.012 0.000 0.982 22 E CA 1.577 57.984 56.400 0.011 0.000 0.809 22 E CB -0.148 29.557 29.700 0.009 0.000 0.756 22 E HN 0.578 nan 8.360 nan 0.000 0.459 23 K N 1.664 122.072 120.400 0.013 0.000 2.057 23 K HA -0.064 4.256 4.320 -0.000 0.000 0.207 23 K C 2.003 178.617 176.600 0.023 0.000 1.049 23 K CA 0.922 57.218 56.287 0.015 0.000 0.931 23 K CB -1.099 31.410 32.500 0.015 0.000 0.714 23 K HN 0.040 nan 8.250 nan 0.000 0.440 24 L N 0.882 122.119 121.223 0.024 0.000 2.261 24 L HA -0.169 4.171 4.340 -0.000 0.000 0.216 24 L C 1.722 178.616 176.870 0.040 0.000 1.114 24 L CA 1.217 56.075 54.840 0.031 0.000 0.777 24 L CB -0.250 41.822 42.059 0.023 0.000 0.910 24 L HN 0.523 nan 8.230 nan 0.000 0.440 25 N N -1.043 117.676 118.700 0.031 0.000 2.415 25 N HA -0.044 4.696 4.740 -0.000 0.000 0.174 25 N C 0.785 176.306 175.510 0.018 0.000 1.048 25 N CA 0.115 53.186 53.050 0.034 0.000 0.895 25 N CB 0.437 38.941 38.487 0.028 0.000 1.036 25 N HN -0.004 nan 8.380 nan 0.000 0.449 26 S N 0.994 116.695 115.700 0.001 0.000 2.629 26 S HA 0.026 4.496 4.470 -0.000 0.000 0.302 26 S C 1.123 175.663 174.600 -0.100 0.000 1.244 26 S CA 0.020 58.196 58.200 -0.039 0.000 1.098 26 S CB 0.107 63.289 63.200 -0.029 0.000 0.858 26 S HN 0.389 nan 8.310 nan 0.000 0.502 27 S N 5.187 120.763 115.700 -0.207 0.000 2.733 27 S HA 0.184 4.654 4.470 -0.000 0.000 0.247 27 S C 1.450 175.616 174.600 -0.724 0.000 1.043 27 S CA -0.476 57.394 58.200 -0.550 0.000 1.066 27 S CB -0.047 63.004 63.200 -0.250 0.000 1.045 27 S HN 0.650 nan 8.310 nan 0.000 0.586 28 I N 3.072 123.420 120.570 -0.371 0.000 2.248 28 I HA -0.140 4.030 4.170 -0.000 0.000 0.248 28 I C 2.628 178.568 176.117 -0.294 0.000 1.107 28 I CA 1.492 62.629 61.300 -0.271 0.000 1.373 28 I CB -1.421 36.509 38.000 -0.117 0.000 1.055 28 I HN 0.465 nan 8.210 nan 0.000 0.418 29 A N 0.872 123.505 122.820 -0.312 0.000 1.859 29 A HA -0.283 4.037 4.320 -0.000 0.000 0.217 29 A C 2.133 179.623 177.584 -0.157 0.000 1.198 29 A CA 2.469 54.398 52.037 -0.180 0.000 0.629 29 A CB -1.228 17.717 19.000 -0.092 0.000 0.830 29 A HN 0.621 nan 8.150 nan 0.000 0.446 30 Y N -0.217 120.046 120.300 -0.061 0.000 2.476 30 Y HA 0.178 4.728 4.550 -0.000 0.000 0.283 30 Y C 1.335 177.139 175.900 -0.160 0.000 1.109 30 Y CA 0.185 58.230 58.100 -0.091 0.000 1.246 30 Y CB -0.676 37.741 38.460 -0.072 0.000 1.068 30 Y HN 0.395 nan 8.280 nan 0.000 0.552 31 D N 0.638 120.875 120.400 -0.271 0.000 2.352 31 D HA -0.112 4.528 4.640 -0.000 0.000 0.232 31 D C 1.120 177.205 176.300 -0.357 0.000 1.055 31 D CA 0.296 54.162 54.000 -0.223 0.000 0.891 31 D CB -0.400 40.277 40.800 -0.205 0.000 0.897 31 D HN 0.558 nan 8.370 nan 0.000 0.529 32 Q N -0.234 119.351 119.800 -0.359 0.000 2.291 32 Q HA 0.032 4.372 4.340 -0.000 0.000 0.205 32 Q C 1.596 177.267 176.000 -0.549 0.000 0.970 32 Q CA 0.379 55.859 55.803 -0.540 0.000 0.876 32 Q CB 0.104 28.617 28.738 -0.375 0.000 0.935 32 Q HN 0.157 nan 8.270 nan 0.000 0.455 33 R N 0.397 120.674 120.500 -0.372 0.000 2.293 33 R HA -0.061 4.279 4.340 -0.000 0.000 0.219 33 R C 1.421 177.482 176.300 -0.398 0.000 1.091 33 R CA 0.828 56.730 56.100 -0.331 0.000 1.004 33 R CB -0.078 30.020 30.300 -0.337 0.000 0.865 33 R HN 0.344 nan 8.270 nan 0.000 0.469 34 L N 0.284 121.233 121.223 -0.458 0.000 2.640 34 L HA 0.080 4.420 4.340 -0.000 0.000 0.230 34 L C 2.064 178.687 176.870 -0.413 0.000 1.123 34 L CA 0.078 54.696 54.840 -0.371 0.000 0.900 34 L CB -0.092 41.762 42.059 -0.341 0.000 1.146 34 L HN 0.063 nan 8.230 nan 0.000 0.484 35 S N 0.704 116.012 115.700 -0.653 0.000 2.369 35 S HA -0.306 4.164 4.470 -0.000 0.000 0.225 35 S C 1.841 176.141 174.600 -0.502 0.000 1.043 35 S CA 1.837 59.485 58.200 -0.919 0.000 1.074 35 S CB -0.290 61.698 63.200 -2.020 0.000 0.962 35 S HN 0.476 nan 8.310 nan 0.000 0.433 36 E N 1.868 121.869 120.200 -0.332 0.000 2.031 36 E HA -0.132 4.218 4.350 -0.000 0.000 0.193 36 E C 2.142 178.708 176.600 -0.056 0.000 0.994 36 E CA 2.042 58.373 56.400 -0.114 0.000 0.800 36 E CB -0.848 28.827 29.700 -0.041 0.000 0.752 36 E HN 0.609 nan 8.360 nan 0.000 0.447 37 V N -0.415 119.473 119.914 -0.044 0.000 2.594 37 V HA -0.186 3.934 4.120 -0.000 0.000 0.253 37 V C 2.085 178.182 176.094 0.004 0.000 1.069 37 V CA 2.225 64.532 62.300 0.011 0.000 1.082 37 V CB -0.915 30.944 31.823 0.061 0.000 0.680 37 V HN 0.214 nan 8.190 nan 0.000 0.469 38 D N 0.415 120.778 120.400 -0.062 0.000 2.117 38 D HA -0.134 4.506 4.640 -0.000 0.000 0.198 38 D C 1.962 178.272 176.300 0.016 0.000 0.982 38 D CA 1.389 55.366 54.000 -0.038 0.000 0.828 38 D CB -0.086 40.625 40.800 -0.148 0.000 0.967 38 D HN 0.341 nan 8.370 nan 0.000 0.464 39 I N 0.712 121.289 120.570 0.011 0.000 2.315 39 I HA -0.163 4.007 4.170 -0.000 0.000 0.248 39 I C 2.158 178.319 176.117 0.072 0.000 1.117 39 I CA 0.993 62.331 61.300 0.065 0.000 1.404 39 I CB -1.093 36.961 38.000 0.091 0.000 1.071 39 I HN 0.211 nan 8.210 nan 0.000 0.419 40 Q N 0.620 120.456 119.800 0.060 0.000 2.124 40 Q HA -0.072 4.268 4.340 -0.000 0.000 0.202 40 Q C 2.425 178.476 176.000 0.085 0.000 0.977 40 Q CA 1.778 57.623 55.803 0.069 0.000 0.850 40 Q CB -0.514 28.261 28.738 0.062 0.000 0.901 40 Q HN 0.527 nan 8.270 nan 0.000 0.429 41 A N 0.217 123.087 122.820 0.084 0.000 1.898 41 A HA -0.120 4.200 4.320 -0.000 0.000 0.216 41 A C 2.464 180.114 177.584 0.111 0.000 1.181 41 A CA 1.700 53.792 52.037 0.091 0.000 0.620 41 A CB -0.449 18.593 19.000 0.071 0.000 0.819 41 A HN 0.315 nan 8.150 nan 0.000 0.442 42 S N -0.160 115.605 115.700 0.109 0.000 2.368 42 S HA -0.096 4.374 4.470 -0.000 0.000 0.224 42 S C 1.814 176.506 174.600 0.153 0.000 1.029 42 S CA 1.346 59.631 58.200 0.142 0.000 0.988 42 S CB -0.482 62.794 63.200 0.126 0.000 0.838 42 S HN 0.532 nan 8.310 nan 0.000 0.462 43 I N 1.738 122.376 120.570 0.114 0.000 2.118 43 I HA -0.296 3.874 4.170 -0.000 0.000 0.241 43 I C 2.708 178.878 176.117 0.089 0.000 1.070 43 I CA 1.231 62.587 61.300 0.092 0.000 1.327 43 I CB -0.594 37.451 38.000 0.076 0.000 1.034 43 I HN 0.275 nan 8.210 nan 0.000 0.405 44 A N 0.264 123.144 122.820 0.100 0.000 1.849 44 A HA -0.326 3.994 4.320 -0.000 0.000 0.217 44 A C 2.294 179.939 177.584 0.101 0.000 1.202 44 A CA 2.019 54.111 52.037 0.091 0.000 0.629 44 A CB -1.386 17.675 19.000 0.101 0.000 0.834 44 A HN 0.481 nan 8.150 nan 0.000 0.447 45 Y N 0.570 120.876 120.300 0.010 0.000 2.069 45 Y HA -0.243 4.307 4.550 -0.000 0.000 0.278 45 Y C 2.802 178.705 175.900 0.005 0.000 1.175 45 Y CA 1.664 59.763 58.100 -0.001 0.000 1.134 45 Y CB -0.836 37.624 38.460 -0.000 0.000 0.965 45 Y HN 0.363 nan 8.280 nan 0.000 0.498 46 A N 0.309 123.185 122.820 0.092 0.000 1.869 46 A HA -0.332 3.988 4.320 -0.000 0.000 0.218 46 A C 2.238 179.784 177.584 -0.062 0.000 1.203 46 A CA 2.634 54.678 52.037 0.013 0.000 0.638 46 A CB -0.867 18.175 19.000 0.069 0.000 0.831 46 A HN 0.560 nan 8.150 nan 0.000 0.450 47 K N -0.567 119.816 120.400 -0.028 0.000 2.160 47 K HA -0.119 4.201 4.320 -0.000 0.000 0.206 47 K C 2.039 178.591 176.600 -0.080 0.000 1.047 47 K CA 1.214 57.479 56.287 -0.037 0.000 0.930 47 K CB -0.325 32.169 32.500 -0.010 0.000 0.720 47 K HN 0.496 nan 8.250 nan 0.000 0.450 48 A N 0.647 123.388 122.820 -0.131 0.000 2.167 48 A HA 0.021 4.341 4.320 -0.000 0.000 0.214 48 A C 1.885 179.324 177.584 -0.243 0.000 1.151 48 A CA 0.660 52.594 52.037 -0.172 0.000 0.735 48 A CB -0.220 18.670 19.000 -0.184 0.000 0.802 48 A HN 0.145 nan 8.150 nan 0.000 0.467 49 L N -0.994 120.054 121.223 -0.292 0.000 2.270 49 L HA -0.055 4.285 4.340 -0.000 0.000 0.210 49 L C 2.634 179.422 176.870 -0.136 0.000 1.104 49 L CA 0.960 55.642 54.840 -0.264 0.000 0.804 49 L CB -0.201 41.699 42.059 -0.266 0.000 0.937 49 L HN 0.470 nan 8.230 nan 0.000 0.450 50 E N 1.336 121.475 120.200 -0.101 0.000 2.015 50 E HA -0.282 4.068 4.350 -0.000 0.000 0.191 50 E C 2.043 178.608 176.600 -0.059 0.000 0.991 50 E CA 1.421 57.785 56.400 -0.061 0.000 0.802 50 E CB 0.020 29.695 29.700 -0.042 0.000 0.759 50 E HN 0.283 nan 8.360 nan 0.000 0.447 51 K N 0.049 120.411 120.400 -0.063 0.000 2.160 51 K HA -0.139 4.181 4.320 -0.000 0.000 0.206 51 K C 1.825 178.391 176.600 -0.056 0.000 1.047 51 K CA 1.311 57.566 56.287 -0.053 0.000 0.930 51 K CB -0.166 32.303 32.500 -0.053 0.000 0.720 51 K HN 0.130 nan 8.250 nan 0.000 0.450 52 A N -0.310 122.464 122.820 -0.077 0.000 2.167 52 A HA 0.152 4.472 4.320 -0.000 0.000 0.214 52 A C 1.566 179.118 177.584 -0.054 0.000 1.151 52 A CA 1.173 53.167 52.037 -0.071 0.000 0.735 52 A CB -0.286 18.654 19.000 -0.101 0.000 0.802 52 A HN 0.589 nan 8.150 nan 0.000 0.467 53 G N -0.782 107.989 108.800 -0.050 0.000 2.213 53 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.236 53 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.236 53 G C 0.806 175.686 174.900 -0.033 0.000 0.991 53 G CA 0.316 45.394 45.100 -0.035 0.000 0.629 53 G HN 0.311 nan 8.290 nan 0.000 0.517 54 I N 0.633 121.176 120.570 -0.045 0.000 2.614 54 I HA 0.196 4.366 4.170 -0.000 0.000 0.258 54 I C 1.463 177.564 176.117 -0.027 0.000 1.189 54 I CA 1.177 62.456 61.300 -0.035 0.000 1.462 54 I CB -0.829 37.142 38.000 -0.049 0.000 1.092 54 I HN 0.253 nan 8.210 nan 0.000 0.442 55 L N -0.145 121.057 121.223 -0.034 0.000 2.354 55 L HA 0.338 4.678 4.340 -0.000 0.000 0.264 55 L C 0.386 177.245 176.870 -0.019 0.000 1.008 55 L CA -0.576 54.251 54.840 -0.022 0.000 0.819 55 L CB 2.271 44.315 42.059 -0.025 0.000 1.339 55 L HN 0.031 nan 8.230 nan 0.000 0.420 56 T N -2.609 111.939 114.554 -0.010 0.000 2.927 56 T HA 0.237 4.587 4.350 -0.000 0.000 0.281 56 T C 0.707 175.402 174.700 -0.008 0.000 0.998 56 T CA -0.677 61.418 62.100 -0.009 0.000 1.019 56 T CB 1.997 70.862 68.868 -0.004 0.000 1.061 56 T HN 0.508 nan 8.240 nan 0.000 0.518 57 K N 0.859 121.255 120.400 -0.007 0.000 2.063 57 K HA -0.090 4.230 4.320 -0.000 0.000 0.208 57 K C 2.126 178.725 176.600 -0.001 0.000 1.048 57 K CA 2.210 58.494 56.287 -0.005 0.000 0.928 57 K CB -1.382 31.116 32.500 -0.004 0.000 0.713 57 K HN 0.763 nan 8.250 nan 0.000 0.442 58 T N 1.138 115.692 114.554 0.000 0.000 2.607 58 T HA -0.179 4.171 4.350 -0.000 0.000 0.267 58 T C 1.559 176.262 174.700 0.005 0.000 1.049 58 T CA 1.949 64.050 62.100 0.003 0.000 1.162 58 T CB -0.421 68.449 68.868 0.002 0.000 0.863 58 T HN 0.422 nan 8.240 nan 0.000 0.424 59 E N 0.652 120.855 120.200 0.005 0.000 2.086 59 E HA -0.168 4.182 4.350 -0.000 0.000 0.200 59 E C 2.185 178.793 176.600 0.012 0.000 1.012 59 E CA 1.077 57.482 56.400 0.009 0.000 0.812 59 E CB -0.377 29.328 29.700 0.008 0.000 0.743 59 E HN 0.216 nan 8.360 nan 0.000 0.453 60 L N 1.698 122.926 121.223 0.007 0.000 2.012 60 L HA -0.238 4.102 4.340 -0.000 0.000 0.210 60 L C 1.979 178.858 176.870 0.016 0.000 1.073 60 L CA 1.915 56.761 54.840 0.010 0.000 0.748 60 L CB -0.307 41.752 42.059 0.001 0.000 0.891 60 L HN 0.069 nan 8.230 nan 0.000 0.431 61 E N -0.549 119.658 120.200 0.012 0.000 2.085 61 E HA -0.265 4.085 4.350 -0.000 0.000 0.194 61 E C 2.107 178.718 176.600 0.018 0.000 0.994 61 E CA 1.617 58.026 56.400 0.014 0.000 0.801 61 E CB -0.149 29.557 29.700 0.010 0.000 0.743 61 E HN 0.550 nan 8.360 nan 0.000 0.453 62 K N 0.260 120.671 120.400 0.017 0.000 2.148 62 K HA -0.057 4.263 4.320 -0.000 0.000 0.204 62 K C 2.114 178.730 176.600 0.026 0.000 1.050 62 K CA 0.801 57.099 56.287 0.019 0.000 0.942 62 K CB 0.035 32.544 32.500 0.015 0.000 0.724 62 K HN 0.160 nan 8.250 nan 0.000 0.446 63 I N 1.010 121.599 120.570 0.031 0.000 2.333 63 I HA -0.213 3.957 4.170 -0.000 0.000 0.246 63 I C 2.114 178.260 176.117 0.048 0.000 1.106 63 I CA 0.891 62.217 61.300 0.043 0.000 1.411 63 I CB -0.160 37.869 38.000 0.049 0.000 1.082 63 I HN 0.073 nan 8.210 nan 0.000 0.420 64 L N -0.090 121.159 121.223 0.042 0.000 2.083 64 L HA -0.210 4.130 4.340 -0.000 0.000 0.209 64 L C 2.725 179.621 176.870 0.044 0.000 1.083 64 L CA 1.397 56.264 54.840 0.045 0.000 0.752 64 L CB -0.672 41.409 42.059 0.036 0.000 0.899 64 L HN 0.256 nan 8.230 nan 0.000 0.433 65 S N 0.105 115.826 115.700 0.035 0.000 2.399 65 S HA -0.116 4.354 4.470 -0.000 0.000 0.231 65 S C 1.947 176.569 174.600 0.036 0.000 1.022 65 S CA 1.336 59.555 58.200 0.032 0.000 0.983 65 S CB -0.299 62.915 63.200 0.023 0.000 0.803 65 S HN 0.510 nan 8.310 nan 0.000 0.480 66 G N 1.490 110.314 108.800 0.040 0.000 2.404 66 G HA2 -0.016 3.944 3.960 -0.000 0.000 0.214 66 G HA3 -0.016 3.944 3.960 -0.000 0.000 0.214 66 G C 1.412 176.352 174.900 0.067 0.000 1.189 66 G CA 0.713 45.840 45.100 0.045 0.000 0.789 66 G HN 0.491 nan 8.290 nan 0.000 0.533 67 L N 0.067 121.337 121.223 0.078 0.000 1.971 67 L HA -0.139 4.201 4.340 -0.000 0.000 0.215 67 L C 2.841 179.774 176.870 0.105 0.000 1.072 67 L CA 1.682 56.583 54.840 0.102 0.000 0.758 67 L CB -0.443 41.673 42.059 0.095 0.000 0.889 67 L HN 0.185 nan 8.230 nan 0.000 0.433 68 E N 0.331 120.580 120.200 0.081 0.000 2.130 68 E HA -0.246 4.104 4.350 -0.000 0.000 0.196 68 E C 2.123 178.771 176.600 0.080 0.000 0.998 68 E CA 1.473 57.919 56.400 0.077 0.000 0.806 68 E CB -0.006 29.728 29.700 0.056 0.000 0.738 68 E HN 0.254 nan 8.360 nan 0.000 0.459 69 K N -0.409 120.031 120.400 0.067 0.000 2.057 69 K HA -0.102 4.218 4.320 -0.000 0.000 0.207 69 K C 2.171 178.814 176.600 0.072 0.000 1.049 69 K CA 1.366 57.684 56.287 0.051 0.000 0.931 69 K CB -0.183 32.333 32.500 0.026 0.000 0.714 69 K HN 0.197 nan 8.250 nan 0.000 0.440 70 I N 0.334 120.974 120.570 0.116 0.000 2.252 70 I HA -0.296 3.874 4.170 -0.000 0.000 0.245 70 I C 2.582 178.864 176.117 0.274 0.000 1.102 70 I CA 0.849 62.265 61.300 0.194 0.000 1.385 70 I CB -0.330 37.838 38.000 0.280 0.000 1.064 70 I HN 0.157 nan 8.210 nan 0.000 0.414 71 S N 0.609 116.460 115.700 0.251 0.000 2.369 71 S HA -0.259 4.211 4.470 -0.000 0.000 0.225 71 S C 2.052 176.793 174.600 0.235 0.000 1.043 71 S CA 1.781 60.138 58.200 0.262 0.000 1.074 71 S CB -0.243 63.052 63.200 0.159 0.000 0.962 71 S HN 0.359 nan 8.310 nan 0.000 0.433 72 E N 0.964 121.252 120.200 0.148 0.000 2.097 72 E HA -0.164 4.186 4.350 -0.000 0.000 0.196 72 E C 2.096 178.760 176.600 0.107 0.000 1.000 72 E CA 1.275 57.740 56.400 0.110 0.000 0.804 72 E CB -0.561 29.178 29.700 0.066 0.000 0.740 72 E HN 0.718 nan 8.360 nan 0.000 0.454 73 E N -0.628 119.619 120.200 0.078 0.000 2.160 73 E HA -0.191 4.159 4.350 -0.000 0.000 0.195 73 E C 1.941 178.566 176.600 0.041 0.000 0.991 73 E CA 0.947 57.349 56.400 0.004 0.000 0.810 73 E CB -0.181 29.464 29.700 -0.092 0.000 0.742 73 E HN 0.397 nan 8.360 nan 0.000 0.466 74 W N 0.590 121.986 121.300 0.160 0.000 2.488 74 W HA -0.120 4.540 4.660 0.000 0.000 0.304 74 W C 2.956 179.506 176.519 0.052 0.000 1.175 74 W CA 1.026 58.417 57.345 0.076 0.000 1.365 74 W CB -0.303 29.143 29.460 -0.023 0.000 1.131 74 W HN 0.025 nan 8.180 nan 0.000 0.520 75 S N 0.529 116.406 115.700 0.294 0.000 2.400 75 S HA -0.181 4.289 4.470 -0.000 0.000 0.232 75 S C 1.470 176.147 174.600 0.130 0.000 1.025 75 S CA 1.277 59.582 58.200 0.175 0.000 0.993 75 S CB -0.505 62.775 63.200 0.133 0.000 0.808 75 S HN 0.287 nan 8.310 nan 0.000 0.478 76 K N 0.786 121.255 120.400 0.115 0.000 2.365 76 K HA 0.202 4.522 4.320 -0.000 0.000 0.197 76 K C 1.279 177.926 176.600 0.078 0.000 1.042 76 K CA 0.424 56.756 56.287 0.075 0.000 0.987 76 K CB -0.315 32.213 32.500 0.047 0.000 0.779 76 K HN 0.574 nan 8.250 nan 0.000 0.484 77 G N 1.180 110.048 108.800 0.114 0.000 2.147 77 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.244 77 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.244 77 G C 0.387 175.326 174.900 0.065 0.000 1.005 77 G CA 0.231 45.401 45.100 0.117 0.000 0.713 77 G HN 0.167 nan 8.290 nan 0.000 0.515 78 V N -0.068 119.860 119.914 0.024 0.000 3.121 78 V HA 0.390 4.510 4.120 -0.000 0.000 0.344 78 V C 0.701 176.731 176.094 -0.107 0.000 1.390 78 V CA -0.345 61.936 62.300 -0.032 0.000 1.177 78 V CB -0.274 31.524 31.823 -0.042 0.000 1.163 78 V HN 0.428 nan 8.190 nan 0.000 0.484 79 F N 1.062 120.807 119.950 -0.342 0.000 2.467 79 F HA 0.442 4.969 4.527 -0.000 0.000 0.362 79 F C 0.174 175.730 175.800 -0.406 0.000 1.090 79 F CA 0.031 57.677 58.000 -0.591 0.000 1.202 79 F CB 1.206 39.350 39.000 -1.427 0.000 1.113 79 F HN -0.044 nan 8.300 nan 0.000 0.541 80 V N 8.330 127.953 119.914 -0.485 0.000 2.383 80 V HA 0.380 4.500 4.120 -0.000 0.000 0.275 80 V C -0.750 175.296 176.094 -0.080 0.000 1.036 80 V CA -0.457 61.721 62.300 -0.202 0.000 0.889 80 V CB 1.295 32.990 31.823 -0.213 0.000 0.985 80 V HN 0.584 nan 8.190 nan 0.000 0.459 81 V N 7.406 127.398 119.914 0.131 0.000 2.567 81 V HA 0.482 4.602 4.120 -0.000 0.000 0.289 81 V C 0.121 176.267 176.094 0.086 0.000 1.049 81 V CA -0.681 61.741 62.300 0.203 0.000 0.969 81 V CB 1.693 33.642 31.823 0.211 0.000 0.995 81 V HN 0.830 nan 8.190 nan 0.000 0.471 82 K N 2.255 122.704 120.400 0.081 0.000 2.118 82 K HA 0.434 4.754 4.320 -0.000 0.000 0.254 82 K C 0.527 177.150 176.600 0.038 0.000 0.961 82 K CA -0.595 55.715 56.287 0.037 0.000 0.876 82 K CB 1.042 33.555 32.500 0.022 0.000 1.077 82 K HN 0.433 nan 8.250 nan 0.000 0.440 83 Q N 0.087 119.900 119.800 0.022 0.000 2.541 83 Q HA -0.001 4.339 4.340 -0.000 0.000 0.215 83 Q C 0.573 176.582 176.000 0.016 0.000 0.977 83 Q CA 1.026 56.839 55.803 0.017 0.000 0.934 83 Q CB 0.021 28.765 28.738 0.010 0.000 0.988 83 Q HN 0.606 nan 8.270 nan 0.000 0.521 84 S N 0.123 115.834 115.700 0.020 0.000 2.470 84 S HA 0.016 4.486 4.470 -0.000 0.000 0.225 84 S C 0.099 174.714 174.600 0.024 0.000 1.006 84 S CA 0.071 58.282 58.200 0.018 0.000 0.934 84 S CB 0.176 63.386 63.200 0.016 0.000 0.778 84 S HN 0.339 nan 8.310 nan 0.000 0.517 85 D N 2.669 123.091 120.400 0.037 0.000 2.346 85 D HA 0.036 4.676 4.640 -0.000 0.000 0.260 85 D C 1.137 177.446 176.300 0.014 0.000 1.252 85 D CA 0.087 54.112 54.000 0.042 0.000 0.895 85 D CB 0.870 41.718 40.800 0.079 0.000 1.097 85 D HN 0.600 nan 8.370 nan 0.000 0.489 86 E N 2.025 122.230 120.200 0.008 0.000 2.250 86 E HA -0.082 4.268 4.350 -0.000 0.000 0.192 86 E C -0.289 176.293 176.600 -0.030 0.000 0.986 86 E CA 0.305 56.700 56.400 -0.008 0.000 0.849 86 E CB 0.281 29.984 29.700 0.005 0.000 0.797 86 E HN 0.511 nan 8.360 nan 0.000 0.482 87 D N -1.185 119.206 120.400 -0.016 0.000 2.643 87 D HA 0.093 4.733 4.640 -0.000 0.000 0.283 87 D C 0.446 176.706 176.300 -0.067 0.000 1.242 87 D CA -0.776 53.199 54.000 -0.041 0.000 0.863 87 D CB 0.461 41.293 40.800 0.053 0.000 1.382 87 D HN -0.075 nan 8.370 nan 0.000 0.444 88 I N 0.202 120.655 120.570 -0.196 0.000 2.286 88 I HA -0.151 4.019 4.170 -0.000 0.000 0.248 88 I C 1.507 177.466 176.117 -0.264 0.000 1.115 88 I CA 1.794 62.910 61.300 -0.307 0.000 1.392 88 I CB -0.586 37.097 38.000 -0.528 0.000 1.065 88 I HN 0.527 nan 8.210 nan 0.000 0.418 89 H N -0.968 118.066 119.070 -0.060 0.000 2.456 89 H HA -0.069 4.487 4.556 -0.000 0.000 0.296 89 H C 2.116 177.434 175.328 -0.017 0.000 1.079 89 H CA 1.725 57.751 56.048 -0.037 0.000 1.322 89 H CB -0.602 29.134 29.762 -0.043 0.000 1.388 89 H HN 0.287 nan 8.280 nan 0.000 0.538 90 T N -0.015 114.592 114.554 0.088 0.000 2.852 90 T HA -0.010 4.340 4.350 -0.000 0.000 0.256 90 T C 2.440 177.195 174.700 0.092 0.000 1.038 90 T CA 0.881 63.019 62.100 0.063 0.000 1.141 90 T CB -0.406 68.489 68.868 0.045 0.000 0.869 90 T HN 0.489 nan 8.240 nan 0.000 0.439 91 A N 2.779 125.668 122.820 0.116 0.000 1.903 91 A HA -0.235 4.085 4.320 -0.000 0.000 0.219 91 A C 2.218 179.999 177.584 0.329 0.000 1.191 91 A CA 1.844 54.025 52.037 0.240 0.000 0.638 91 A CB -0.698 18.454 19.000 0.253 0.000 0.823 91 A HN 0.422 nan 8.150 nan 0.000 0.451 92 N N -0.676 118.167 118.700 0.239 0.000 2.135 92 N HA -0.136 4.604 4.740 -0.000 0.000 0.186 92 N C 1.769 177.386 175.510 0.179 0.000 1.027 92 N CA 1.406 54.615 53.050 0.264 0.000 0.849 92 N CB -0.514 38.083 38.487 0.183 0.000 1.002 92 N HN 0.754 nan 8.380 nan 0.000 0.425 93 E N 1.234 121.503 120.200 0.115 0.000 2.070 93 E HA -0.235 4.115 4.350 -0.000 0.000 0.197 93 E C 2.140 178.779 176.600 0.064 0.000 1.004 93 E CA 1.138 57.577 56.400 0.065 0.000 0.805 93 E CB 0.109 29.812 29.700 0.006 0.000 0.744 93 E HN 0.253 nan 8.360 nan 0.000 0.451 94 R N 0.225 120.771 120.500 0.076 0.000 2.061 94 R HA -0.165 4.175 4.340 -0.000 0.000 0.230 94 R C 2.474 178.804 176.300 0.051 0.000 1.140 94 R CA 1.615 57.748 56.100 0.055 0.000 0.940 94 R CB -0.278 30.057 30.300 0.059 0.000 0.839 94 R HN -0.041 nan 8.270 nan 0.000 0.429 95 R N 0.980 121.534 120.500 0.090 0.000 2.139 95 R HA -0.149 4.191 4.340 -0.000 0.000 0.243 95 R C 2.116 178.436 176.300 0.033 0.000 1.145 95 R CA 1.477 57.596 56.100 0.032 0.000 0.976 95 R CB -0.923 29.435 30.300 0.097 0.000 0.866 95 R HN 0.402 nan 8.270 nan 0.000 0.449 96 L N 0.545 121.813 121.223 0.076 0.000 2.072 96 L HA -0.017 4.323 4.340 -0.000 0.000 0.205 96 L C 2.142 179.033 176.870 0.034 0.000 1.079 96 L CA 1.941 56.819 54.840 0.063 0.000 0.752 96 L CB -0.556 41.553 42.059 0.083 0.000 0.906 96 L HN 0.199 nan 8.230 nan 0.000 0.436 97 K N -0.436 119.982 120.400 0.030 0.000 2.097 97 K HA -0.177 4.143 4.320 -0.000 0.000 0.205 97 K C 1.877 178.477 176.600 0.000 0.000 1.050 97 K CA 1.626 57.922 56.287 0.016 0.000 0.938 97 K CB -0.082 32.427 32.500 0.014 0.000 0.718 97 K HN 0.491 nan 8.250 nan 0.000 0.442 98 E N 0.504 120.697 120.200 -0.012 0.000 2.153 98 E HA -0.197 4.153 4.350 -0.000 0.000 0.194 98 E C 2.051 178.632 176.600 -0.031 0.000 0.988 98 E CA 1.096 57.477 56.400 -0.032 0.000 0.811 98 E CB -0.025 29.637 29.700 -0.062 0.000 0.746 98 E HN 0.342 nan 8.360 nan 0.000 0.466 99 L N 0.325 121.534 121.223 -0.024 0.000 2.068 99 L HA -0.012 4.328 4.340 -0.000 0.000 0.204 99 L C 2.443 179.309 176.870 -0.006 0.000 1.076 99 L CA 0.902 55.730 54.840 -0.019 0.000 0.753 99 L CB -0.122 41.929 42.059 -0.012 0.000 0.910 99 L HN 0.208 nan 8.230 nan 0.000 0.439 100 I N -4.196 116.377 120.570 0.004 0.000 4.154 100 I HA 0.485 4.655 4.170 -0.000 0.000 0.334 100 I C 1.013 177.136 176.117 0.009 0.000 1.371 100 I CA 0.039 61.344 61.300 0.008 0.000 1.110 100 I CB 0.151 38.161 38.000 0.017 0.000 1.085 100 I HN 0.180 nan 8.210 nan 0.000 0.398 101 G N 2.223 111.027 108.800 0.007 0.000 2.601 101 G HA2 -0.329 3.631 3.960 -0.000 0.000 0.252 101 G HA3 -0.329 3.631 3.960 -0.000 0.000 0.252 101 G C 0.363 175.271 174.900 0.013 0.000 1.294 101 G CA 0.461 45.565 45.100 0.007 0.000 0.912 101 G HN 0.317 nan 8.290 nan 0.000 0.574 102 D N -0.748 119.659 120.400 0.012 0.000 2.218 102 D HA -0.174 4.466 4.640 -0.000 0.000 0.194 102 D C 2.363 178.676 176.300 0.022 0.000 1.007 102 D CA 1.773 55.783 54.000 0.016 0.000 0.879 102 D CB -0.086 40.721 40.800 0.012 0.000 0.918 102 D HN 0.419 nan 8.370 nan 0.000 0.449 103 I N 0.615 121.198 120.570 0.021 0.000 2.567 103 I HA -0.171 3.999 4.170 -0.000 0.000 0.257 103 I C 2.079 178.219 176.117 0.037 0.000 1.184 103 I CA 0.663 61.978 61.300 0.026 0.000 1.451 103 I CB -0.315 37.698 38.000 0.022 0.000 1.089 103 I HN -0.074 nan 8.210 nan 0.000 0.441 104 A N 0.135 122.978 122.820 0.039 0.000 1.972 104 A HA -0.076 4.244 4.320 -0.000 0.000 0.219 104 A C 2.468 180.090 177.584 0.064 0.000 1.169 104 A CA 1.429 53.497 52.037 0.052 0.000 0.635 104 A CB -1.609 17.419 19.000 0.046 0.000 0.810 104 A HN 0.464 nan 8.150 nan 0.000 0.446 105 G N -0.032 108.801 108.800 0.054 0.000 2.475 105 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.220 105 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.220 105 G C 1.571 176.527 174.900 0.092 0.000 1.125 105 G CA 1.111 46.250 45.100 0.065 0.000 0.755 105 G HN 0.615 nan 8.290 nan 0.000 0.565 106 K N -0.364 120.083 120.400 0.078 0.000 2.283 106 K HA 0.048 4.368 4.320 -0.000 0.000 0.202 106 K C 2.250 178.919 176.600 0.115 0.000 1.048 106 K CA 0.502 56.837 56.287 0.080 0.000 0.948 106 K CB -0.145 32.385 32.500 0.050 0.000 0.742 106 K HN 0.332 nan 8.250 nan 0.000 0.458 107 L N 0.511 121.818 121.223 0.140 0.000 2.131 107 L HA -0.153 4.187 4.340 -0.000 0.000 0.210 107 L C 1.731 178.778 176.870 0.294 0.000 1.092 107 L CA 1.923 56.884 54.840 0.201 0.000 0.759 107 L CB -0.468 41.698 42.059 0.179 0.000 0.903 107 L HN 0.155 nan 8.230 nan 0.000 0.435 108 H N -0.841 118.298 119.070 0.115 0.000 2.547 108 H HA 0.198 4.754 4.556 0.000 0.000 0.274 108 H C -0.089 175.295 175.328 0.093 0.000 1.024 108 H CA 0.044 56.133 56.048 0.069 0.000 1.155 108 H CB -0.568 29.205 29.762 0.019 0.000 1.344 108 H HN 0.222 nan 8.280 nan 0.000 0.598 109 T N 0.308 114.946 114.554 0.140 0.000 2.761 109 T HA 0.266 4.616 4.350 -0.000 0.000 0.287 109 T C 1.255 176.010 174.700 0.092 0.000 0.931 109 T CA 0.809 62.960 62.100 0.085 0.000 1.164 109 T CB 0.036 68.950 68.868 0.076 0.000 0.876 109 T HN 0.685 nan 8.240 nan 0.000 0.534 110 G N 3.528 112.324 108.800 -0.008 0.000 2.179 110 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.260 110 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.260 110 G C 0.283 175.124 174.900 -0.099 0.000 0.977 110 G CA 0.206 45.301 45.100 -0.008 0.000 0.641 110 G HN 0.746 nan 8.290 nan 0.000 0.533 111 R N 0.502 120.812 120.500 -0.316 0.000 2.457 111 R HA 0.618 4.957 4.340 -0.000 0.000 0.284 111 R C -0.205 175.742 176.300 -0.588 0.000 1.024 111 R CA 0.318 56.071 56.100 -0.577 0.000 1.025 111 R CB 1.059 30.801 30.300 -0.931 0.000 1.063 111 R HN 0.238 nan 8.270 nan 0.000 0.493 112 S N 1.513 116.988 115.700 -0.376 0.000 2.500 112 S HA 0.218 4.688 4.470 -0.000 0.000 0.301 112 S C 0.778 175.261 174.600 -0.195 0.000 1.092 112 S CA -0.808 57.249 58.200 -0.239 0.000 1.030 112 S CB 1.701 64.782 63.200 -0.199 0.000 1.031 112 S HN 0.804 nan 8.310 nan 0.000 0.483 113 R N 3.894 124.318 120.500 -0.127 0.000 2.127 113 R HA -0.068 4.272 4.340 -0.000 0.000 0.238 113 R C 1.563 177.691 176.300 -0.288 0.000 1.134 113 R CA 2.293 58.274 56.100 -0.198 0.000 0.975 113 R CB -0.461 29.721 30.300 -0.196 0.000 0.865 113 R HN 0.835 nan 8.270 nan 0.000 0.447 114 N N 0.070 118.567 118.700 -0.338 0.000 2.205 114 N HA -0.221 4.519 4.740 -0.000 0.000 0.186 114 N C 1.375 176.767 175.510 -0.197 0.000 1.015 114 N CA 1.513 54.327 53.050 -0.393 0.000 0.862 114 N CB -0.049 38.130 38.487 -0.514 0.000 0.986 114 N HN 0.554 nan 8.380 nan 0.000 0.429 115 E N 0.957 121.045 120.200 -0.186 0.000 2.385 115 E HA -0.080 4.270 4.350 -0.000 0.000 0.194 115 E C 1.506 178.025 176.600 -0.136 0.000 1.013 115 E CA 0.290 56.605 56.400 -0.142 0.000 0.866 115 E CB -0.036 29.568 29.700 -0.159 0.000 0.832 115 E HN 0.418 nan 8.360 nan 0.000 0.500 116 Q N 1.067 120.767 119.800 -0.166 0.000 2.046 116 Q HA -0.088 4.252 4.340 -0.000 0.000 0.200 116 Q C 2.433 178.399 176.000 -0.056 0.000 0.975 116 Q CA 1.642 57.371 55.803 -0.123 0.000 0.836 116 Q CB -0.019 28.610 28.738 -0.181 0.000 0.896 116 Q HN 0.164 nan 8.270 nan 0.000 0.428 117 V N 1.169 121.007 119.914 -0.126 0.000 2.219 117 V HA -0.294 3.826 4.120 -0.000 0.000 0.248 117 V C 2.491 178.648 176.094 0.106 0.000 1.053 117 V CA 2.200 64.507 62.300 0.010 0.000 1.009 117 V CB -1.047 30.780 31.823 0.008 0.000 0.636 117 V HN 0.411 nan 8.190 nan 0.000 0.445 118 V N -1.928 118.044 119.914 0.096 0.000 2.343 118 V HA -0.242 3.878 4.120 -0.000 0.000 0.247 118 V C 2.231 178.340 176.094 0.024 0.000 1.051 118 V CA 2.578 64.959 62.300 0.135 0.000 1.036 118 V CB -1.667 30.230 31.823 0.125 0.000 0.654 118 V HN 0.569 nan 8.190 nan 0.000 0.451 119 T N 0.798 115.342 114.554 -0.017 0.000 2.652 119 T HA -0.206 4.144 4.350 -0.000 0.000 0.267 119 T C 1.622 176.370 174.700 0.080 0.000 1.039 119 T CA 2.298 64.382 62.100 -0.026 0.000 1.153 119 T CB -0.599 68.231 68.868 -0.064 0.000 0.863 119 T HN 0.595 nan 8.240 nan 0.000 0.428 120 D N 0.622 121.081 120.400 0.097 0.000 2.144 120 D HA -0.029 4.611 4.640 -0.000 0.000 0.199 120 D C 1.905 178.292 176.300 0.145 0.000 0.984 120 D CA 0.429 54.501 54.000 0.120 0.000 0.834 120 D CB -0.419 40.462 40.800 0.135 0.000 0.955 120 D HN 0.129 nan 8.370 nan 0.000 0.465 121 L N 0.811 122.132 121.223 0.164 0.000 2.109 121 L HA -0.053 4.287 4.340 -0.000 0.000 0.207 121 L C 1.762 178.763 176.870 0.218 0.000 1.086 121 L CA 1.714 56.691 54.840 0.229 0.000 0.760 121 L CB -0.256 41.988 42.059 0.309 0.000 0.910 121 L HN -0.144 nan 8.230 nan 0.000 0.437 122 K N -0.976 119.472 120.400 0.080 0.000 2.148 122 K HA -0.102 4.218 4.320 -0.000 0.000 0.204 122 K C 2.042 178.666 176.600 0.040 0.000 1.050 122 K CA 1.268 57.536 56.287 -0.032 0.000 0.942 122 K CB -0.165 32.258 32.500 -0.128 0.000 0.724 122 K HN 0.306 nan 8.250 nan 0.000 0.446 123 L N -0.308 120.991 121.223 0.125 0.000 2.027 123 L HA -0.161 4.179 4.340 -0.000 0.000 0.206 123 L C 2.281 179.165 176.870 0.024 0.000 1.074 123 L CA 1.040 55.911 54.840 0.052 0.000 0.745 123 L CB -0.396 41.736 42.059 0.121 0.000 0.898 123 L HN 0.128 nan 8.230 nan 0.000 0.433 124 F N 0.568 120.491 119.950 -0.044 0.000 2.126 124 F HA -0.259 4.268 4.527 -0.000 0.000 0.299 124 F C 2.448 178.188 175.800 -0.100 0.000 1.096 124 F CA 1.602 59.564 58.000 -0.063 0.000 1.255 124 F CB -0.180 38.794 39.000 -0.043 0.000 0.997 124 F HN -0.046 nan 8.300 nan 0.000 0.479 125 M N -0.047 119.477 119.600 -0.127 0.000 2.159 125 M HA -0.204 4.276 4.480 -0.000 0.000 0.263 125 M C 2.317 178.415 176.300 -0.337 0.000 1.063 125 M CA 1.810 56.916 55.300 -0.323 0.000 1.110 125 M CB -0.502 31.981 32.600 -0.194 0.000 1.374 125 M HN 0.108 nan 8.290 nan 0.000 0.411 126 K N 0.879 121.131 120.400 -0.247 0.000 2.002 126 K HA -0.148 4.172 4.320 -0.000 0.000 0.209 126 K C 1.477 177.933 176.600 -0.240 0.000 1.048 126 K CA 1.841 57.984 56.287 -0.240 0.000 0.930 126 K CB -0.096 32.235 32.500 -0.281 0.000 0.714 126 K HN 0.400 nan 8.250 nan 0.000 0.438 127 N N -0.176 118.372 118.700 -0.252 0.000 2.069 127 N HA -0.148 4.592 4.740 -0.000 0.000 0.191 127 N C 1.848 177.194 175.510 -0.274 0.000 1.031 127 N CA 1.524 54.436 53.050 -0.230 0.000 0.852 127 N CB -0.086 38.279 38.487 -0.203 0.000 1.018 127 N HN 0.086 nan 8.380 nan 0.000 0.423 128 S N 0.894 116.335 115.700 -0.432 0.000 2.353 128 S HA -0.090 4.380 4.470 -0.000 0.000 0.222 128 S C 1.839 176.301 174.600 -0.229 0.000 1.035 128 S CA 0.772 58.723 58.200 -0.415 0.000 1.025 128 S CB -0.358 62.430 63.200 -0.687 0.000 0.902 128 S HN 0.167 nan 8.310 nan 0.000 0.440 129 L N 1.543 122.631 121.223 -0.224 0.000 2.187 129 L HA -0.031 4.309 4.340 -0.000 0.000 0.213 129 L C 2.436 179.255 176.870 -0.085 0.000 1.100 129 L CA 1.325 56.102 54.840 -0.105 0.000 0.765 129 L CB -0.967 41.028 42.059 -0.107 0.000 0.904 129 L HN 0.259 nan 8.230 nan 0.000 0.437 130 S N -1.230 114.396 115.700 -0.123 0.000 2.406 130 S HA -0.069 4.401 4.470 -0.000 0.000 0.228 130 S C 1.944 176.476 174.600 -0.112 0.000 1.020 130 S CA 0.699 58.834 58.200 -0.109 0.000 0.965 130 S CB -0.050 63.078 63.200 -0.120 0.000 0.798 130 S HN 0.326 nan 8.310 nan 0.000 0.488 131 I N 1.370 121.869 120.570 -0.119 0.000 2.233 131 I HA -0.074 4.096 4.170 -0.000 0.000 0.243 131 I C 2.181 178.230 176.117 -0.113 0.000 1.093 131 I CA 1.092 62.312 61.300 -0.133 0.000 1.380 131 I CB -1.176 36.779 38.000 -0.075 0.000 1.067 131 I HN 0.322 nan 8.210 nan 0.000 0.413 132 I N 0.637 121.202 120.570 -0.008 0.000 2.208 132 I HA -0.343 3.827 4.170 -0.000 0.000 0.245 132 I C 2.859 179.002 176.117 0.042 0.000 1.097 132 I CA 1.701 63.048 61.300 0.078 0.000 1.363 132 I CB -0.340 37.721 38.000 0.102 0.000 1.051 132 I HN 0.215 nan 8.210 nan 0.000 0.413 133 S N -0.019 115.677 115.700 -0.006 0.000 2.370 133 S HA -0.218 4.252 4.470 -0.000 0.000 0.226 133 S C 2.101 176.677 174.600 -0.039 0.000 1.033 133 S CA 2.271 60.464 58.200 -0.012 0.000 1.011 133 S CB -0.460 62.724 63.200 -0.026 0.000 0.852 133 S HN 0.450 nan 8.310 nan 0.000 0.457 134 T N 1.598 116.086 114.554 -0.110 0.000 2.665 134 T HA -0.136 4.214 4.350 -0.000 0.000 0.268 134 T C 1.651 176.276 174.700 -0.124 0.000 1.035 134 T CA 1.783 63.785 62.100 -0.164 0.000 1.151 134 T CB -0.662 68.025 68.868 -0.302 0.000 0.862 134 T HN 0.557 nan 8.240 nan 0.000 0.438 135 H N 0.415 119.481 119.070 -0.006 0.000 2.389 135 H HA 0.140 4.696 4.556 -0.000 0.000 0.299 135 H C 2.383 177.705 175.328 -0.009 0.000 1.081 135 H CA 0.624 56.669 56.048 -0.005 0.000 1.345 135 H CB -0.587 29.174 29.762 -0.001 0.000 1.393 135 H HN 0.235 nan 8.280 nan 0.000 0.520 136 L N 0.220 121.507 121.223 0.107 0.000 2.027 136 L HA -0.165 4.174 4.340 -0.000 0.000 0.206 136 L C 2.069 178.956 176.870 0.027 0.000 1.074 136 L CA 0.767 55.640 54.840 0.055 0.000 0.745 136 L CB -0.148 41.936 42.059 0.042 0.000 0.898 136 L HN 0.182 nan 8.230 nan 0.000 0.433 137 L N -0.242 120.990 121.223 0.015 0.000 2.083 137 L HA -0.230 4.110 4.340 -0.000 0.000 0.209 137 L C 2.480 179.353 176.870 0.005 0.000 1.083 137 L CA 1.529 56.370 54.840 0.002 0.000 0.752 137 L CB -1.337 40.716 42.059 -0.009 0.000 0.899 137 L HN 0.361 nan 8.230 nan 0.000 0.433 138 Q N -0.490 119.322 119.800 0.020 0.000 2.119 138 Q HA -0.156 4.183 4.340 -0.000 0.000 0.201 138 Q C 2.226 178.235 176.000 0.016 0.000 0.972 138 Q CA 1.388 57.207 55.803 0.027 0.000 0.847 138 Q CB -0.309 28.465 28.738 0.061 0.000 0.903 138 Q HN 0.461 nan 8.270 nan 0.000 0.433 139 L N -0.486 120.746 121.223 0.015 0.000 2.027 139 L HA -0.120 4.220 4.340 -0.000 0.000 0.206 139 L C 2.078 178.934 176.870 -0.023 0.000 1.074 139 L CA 1.313 56.145 54.840 -0.012 0.000 0.745 139 L CB -0.272 41.778 42.059 -0.016 0.000 0.898 139 L HN 0.319 nan 8.230 nan 0.000 0.433 140 I N -0.069 120.490 120.570 -0.018 0.000 2.264 140 I HA -0.357 3.813 4.170 -0.000 0.000 0.248 140 I C 2.616 178.717 176.117 -0.028 0.000 1.111 140 I CA 1.245 62.528 61.300 -0.029 0.000 1.382 140 I CB -0.381 37.605 38.000 -0.024 0.000 1.060 140 I HN 0.314 nan 8.210 nan 0.000 0.418 141 K N 0.849 121.239 120.400 -0.017 0.000 1.991 141 K HA -0.194 4.126 4.320 -0.000 0.000 0.212 141 K C 2.116 178.708 176.600 -0.014 0.000 1.049 141 K CA 2.332 58.611 56.287 -0.013 0.000 0.932 141 K CB -0.213 32.285 32.500 -0.004 0.000 0.717 141 K HN 0.213 nan 8.250 nan 0.000 0.441 142 T N 2.461 117.008 114.554 -0.011 0.000 2.620 142 T HA -0.246 4.104 4.350 -0.000 0.000 0.267 142 T C 1.868 176.558 174.700 -0.018 0.000 1.044 142 T CA 1.986 64.080 62.100 -0.009 0.000 1.161 142 T CB -0.422 68.437 68.868 -0.016 0.000 0.862 142 T HN 0.179 nan 8.240 nan 0.000 0.438 143 L N 0.401 121.602 121.223 -0.038 0.000 1.989 143 L HA -0.143 4.197 4.340 -0.000 0.000 0.211 143 L C 2.774 179.607 176.870 -0.061 0.000 1.071 143 L CA 1.228 56.031 54.840 -0.061 0.000 0.749 143 L CB -0.874 41.135 42.059 -0.083 0.000 0.890 143 L HN 0.160 nan 8.230 nan 0.000 0.431 144 V N -0.368 119.515 119.914 -0.051 0.000 2.252 144 V HA -0.287 3.833 4.120 -0.000 0.000 0.249 144 V C 2.602 178.682 176.094 -0.025 0.000 1.056 144 V CA 1.827 64.100 62.300 -0.044 0.000 1.022 144 V CB -0.527 31.275 31.823 -0.035 0.000 0.641 144 V HN 0.445 nan 8.190 nan 0.000 0.445 145 E N 0.011 120.205 120.200 -0.011 0.000 2.031 145 E HA -0.229 4.121 4.350 -0.000 0.000 0.193 145 E C 2.304 178.914 176.600 0.017 0.000 0.994 145 E CA 1.500 57.903 56.400 0.005 0.000 0.800 145 E CB -0.474 29.233 29.700 0.011 0.000 0.752 145 E HN 0.559 nan 8.360 nan 0.000 0.447 146 R N 0.872 121.385 120.500 0.021 0.000 2.117 146 R HA -0.163 4.177 4.340 -0.000 0.000 0.243 146 R C 2.203 178.529 176.300 0.045 0.000 1.143 146 R CA 1.613 57.745 56.100 0.052 0.000 0.968 146 R CB -0.257 30.084 30.300 0.067 0.000 0.863 146 R HN 0.156 nan 8.270 nan 0.000 0.444 147 A N 0.632 123.444 122.820 -0.013 0.000 1.883 147 A HA -0.167 4.153 4.320 -0.000 0.000 0.217 147 A C 2.408 180.000 177.584 0.014 0.000 1.186 147 A CA 1.893 53.908 52.037 -0.038 0.000 0.624 147 A CB -1.006 17.949 19.000 -0.075 0.000 0.822 147 A HN 0.577 nan 8.150 nan 0.000 0.444 148 A N -0.009 122.820 122.820 0.015 0.000 1.877 148 A HA -0.068 4.252 4.320 -0.000 0.000 0.216 148 A C 2.021 179.633 177.584 0.046 0.000 1.186 148 A CA 1.675 53.728 52.037 0.026 0.000 0.620 148 A CB -0.551 18.460 19.000 0.018 0.000 0.822 148 A HN 0.409 nan 8.150 nan 0.000 0.443 149 I N 0.325 120.928 120.570 0.055 0.000 2.127 149 I HA -0.216 3.954 4.170 -0.000 0.000 0.241 149 I C 1.662 177.833 176.117 0.091 0.000 1.075 149 I CA 1.529 62.869 61.300 0.068 0.000 1.334 149 I CB -1.656 36.388 38.000 0.073 0.000 1.040 149 I HN 0.451 nan 8.210 nan 0.000 0.405 150 E N 0.388 120.669 120.200 0.135 0.000 2.359 150 E HA 0.055 4.405 4.350 -0.000 0.000 0.187 150 E C 1.883 178.594 176.600 0.186 0.000 1.081 150 E CA -0.214 56.304 56.400 0.196 0.000 0.929 150 E CB -0.121 29.803 29.700 0.373 0.000 1.086 150 E HN 0.426 nan 8.360 nan 0.000 0.462 151 I N 1.046 121.685 120.570 0.115 0.000 2.657 151 I HA -0.260 3.910 4.170 -0.000 0.000 0.261 151 I C 0.928 177.100 176.117 0.092 0.000 1.212 151 I CA 1.214 62.569 61.300 0.091 0.000 1.453 151 I CB 0.259 38.294 38.000 0.058 0.000 1.092 151 I HN 0.069 nan 8.210 nan 0.000 0.452 152 D N 0.004 120.457 120.400 0.089 0.000 2.346 152 D HA 0.085 4.725 4.640 -0.000 0.000 0.206 152 D C 0.777 177.118 176.300 0.069 0.000 1.001 152 D CA 0.279 54.321 54.000 0.070 0.000 0.871 152 D CB 0.255 41.087 40.800 0.053 0.000 0.943 152 D HN 0.102 nan 8.370 nan 0.000 0.518 153 V N 2.161 122.129 119.914 0.090 0.000 2.673 153 V HA 0.024 4.144 4.120 -0.000 0.000 0.303 153 V C 0.609 176.737 176.094 0.056 0.000 1.046 153 V CA 0.431 62.759 62.300 0.048 0.000 1.126 153 V CB 0.774 32.620 31.823 0.038 0.000 0.934 153 V HN -0.020 nan 8.190 nan 0.000 0.487 154 I N 5.884 126.434 120.570 -0.032 0.000 2.533 154 I HA 0.638 4.808 4.170 -0.000 0.000 0.290 154 I C -0.353 175.649 176.117 -0.193 0.000 1.056 154 I CA -0.434 60.832 61.300 -0.057 0.000 1.057 154 I CB 1.753 39.730 38.000 -0.038 0.000 1.240 154 I HN 0.596 nan 8.210 nan 0.000 0.423 155 L N 4.536 125.631 121.223 -0.214 0.000 2.503 155 L HA 0.824 5.163 4.340 -0.000 0.000 0.248 155 L C -3.011 173.680 176.870 -0.298 0.000 1.126 155 L CA -2.228 52.385 54.840 -0.378 0.000 0.929 155 L CB 2.007 43.709 42.059 -0.596 0.000 1.544 155 L HN 0.138 nan 8.230 nan 0.000 0.404 156 P HA 0.281 nan 4.420 nan 0.000 0.271 156 P C -0.721 176.424 177.300 -0.258 0.000 1.218 156 P CA 0.075 62.976 63.100 -0.331 0.000 0.780 156 P CB 0.980 32.435 31.700 -0.409 0.000 0.901 157 G N 1.533 110.167 108.800 -0.278 0.000 2.388 157 G HA2 0.556 4.516 3.960 -0.000 0.000 0.330 157 G HA3 0.556 4.516 3.960 -0.000 0.000 0.330 157 G C -1.666 173.120 174.900 -0.190 0.000 1.142 157 G CA -0.197 44.859 45.100 -0.073 0.000 0.908 157 G HN 0.311 nan 8.290 nan 0.000 0.473 158 Y N 0.043 120.434 120.300 0.150 0.000 2.468 158 Y HA 0.673 5.223 4.550 -0.000 0.000 0.342 158 Y C 0.609 176.557 175.900 0.080 0.000 1.021 158 Y CA -0.819 57.370 58.100 0.149 0.000 1.079 158 Y CB 2.845 41.444 38.460 0.232 0.000 1.226 158 Y HN 0.650 nan 8.280 nan 0.000 0.460 159 T N -0.750 113.923 114.554 0.199 0.000 2.991 159 T HA 0.358 4.708 4.350 -0.000 0.000 0.303 159 T C -0.669 174.054 174.700 0.039 0.000 1.015 159 T CA -0.630 61.459 62.100 -0.019 0.000 1.007 159 T CB 0.827 69.630 68.868 -0.108 0.000 1.034 159 T HN 0.905 nan 8.240 nan 0.000 0.446 160 H N 1.559 120.715 119.070 0.142 0.000 3.415 160 H HA -0.132 4.424 4.556 -0.000 0.000 0.213 160 H C 0.972 176.394 175.328 0.158 0.000 1.091 160 H CA 0.792 56.913 56.048 0.122 0.000 1.182 160 H CB -1.283 28.541 29.762 0.104 0.000 1.160 160 H HN 0.947 nan 8.280 nan 0.000 0.319 161 L N -0.881 120.513 121.223 0.284 0.000 4.351 161 L HA -0.229 4.111 4.340 -0.000 0.000 0.410 161 L C -0.132 177.015 176.870 0.462 0.000 1.150 161 L CA 1.389 56.415 54.840 0.309 0.000 0.961 161 L CB -0.724 41.440 42.059 0.176 0.000 2.130 161 L HN 0.458 nan 8.230 nan 0.000 0.787 162 Q N 0.301 120.382 119.800 0.469 0.000 2.377 162 Q HA 0.433 4.773 4.340 -0.000 0.000 0.271 162 Q C 0.002 176.152 176.000 0.249 0.000 1.077 162 Q CA -0.781 55.237 55.803 0.359 0.000 0.820 162 Q CB 1.780 30.658 28.738 0.234 0.000 1.347 162 Q HN 0.287 nan 8.270 nan 0.000 0.444 163 K N 0.913 121.337 120.400 0.040 0.000 2.447 163 K HA 0.269 4.589 4.320 -0.000 0.000 0.281 163 K C 0.032 176.574 176.600 -0.097 0.000 1.031 163 K CA 0.084 56.227 56.287 -0.240 0.000 1.019 163 K CB 0.597 32.976 32.500 -0.202 0.000 0.918 163 K HN 0.644 nan 8.250 nan 0.000 0.476 164 A N 3.552 126.296 122.820 -0.128 0.000 3.411 164 A HA 0.137 4.457 4.320 -0.000 0.000 0.197 164 A C -0.677 176.884 177.584 -0.039 0.000 1.630 164 A CA -0.330 51.689 52.037 -0.030 0.000 1.807 164 A CB 0.106 19.106 19.000 -0.001 0.000 1.519 164 A HN 0.731 nan 8.150 nan 0.000 0.502 165 Q N 1.280 121.065 119.800 -0.026 0.000 2.256 165 Q HA 0.481 4.821 4.340 -0.000 0.000 0.254 165 Q C -2.623 173.350 176.000 -0.044 0.000 0.916 165 Q CA -2.153 53.650 55.803 0.001 0.000 0.932 165 Q CB 0.850 29.611 28.738 0.039 0.000 1.207 165 Q HN 0.376 nan 8.270 nan 0.000 0.426 166 P HA 0.034 nan 4.420 nan 0.000 0.268 166 P C -0.387 176.892 177.300 -0.034 0.000 1.208 166 P CA 0.252 63.305 63.100 -0.078 0.000 0.777 166 P CB 0.663 32.308 31.700 -0.092 0.000 0.875 167 I N -2.563 117.980 120.570 -0.044 0.000 3.279 167 I HA 0.584 4.754 4.170 -0.000 0.000 0.315 167 I C -0.470 175.666 176.117 0.032 0.000 1.187 167 I CA -1.887 59.412 61.300 -0.001 0.000 0.953 167 I CB 2.150 40.153 38.000 0.005 0.000 1.279 167 I HN 0.086 nan 8.210 nan 0.000 0.465 168 R N 1.317 121.857 120.500 0.067 0.000 2.410 168 R HA 0.143 4.483 4.340 -0.000 0.000 0.288 168 R C 0.508 176.920 176.300 0.186 0.000 1.051 168 R CA -0.442 55.722 56.100 0.107 0.000 1.021 168 R CB 1.306 31.660 30.300 0.091 0.000 1.032 168 R HN 0.868 nan 8.270 nan 0.000 0.481 169 W N 2.904 124.205 121.300 0.002 0.000 2.363 169 W HA -0.205 4.455 4.660 0.000 0.000 0.296 169 W C 0.768 177.380 176.519 0.156 0.000 1.212 169 W CA 1.449 58.820 57.345 0.043 0.000 1.260 169 W CB 0.091 29.539 29.460 -0.020 0.000 1.131 169 W HN 0.508 nan 8.180 nan 0.000 0.530 170 S N 0.739 116.462 115.700 0.038 0.000 2.382 170 S HA -0.302 4.168 4.470 -0.000 0.000 0.228 170 S C 1.564 176.107 174.600 -0.094 0.000 1.027 170 S CA 1.914 60.053 58.200 -0.101 0.000 0.991 170 S CB -0.514 62.685 63.200 -0.002 0.000 0.823 170 S HN 0.346 nan 8.310 nan 0.000 0.469 171 Q N 1.062 120.854 119.800 -0.013 0.000 2.030 171 Q HA -0.137 4.203 4.340 -0.000 0.000 0.204 171 Q C 1.753 177.716 176.000 -0.061 0.000 0.986 171 Q CA 1.767 57.553 55.803 -0.029 0.000 0.843 171 Q CB -0.724 28.019 28.738 0.008 0.000 0.904 171 Q HN 0.486 nan 8.270 nan 0.000 0.420 172 F N 0.332 120.197 119.950 -0.142 0.000 2.027 172 F HA -0.280 4.247 4.527 0.000 0.000 0.297 172 F C 1.742 177.390 175.800 -0.253 0.000 1.129 172 F CA 2.017 59.923 58.000 -0.156 0.000 1.195 172 F CB -0.623 38.341 39.000 -0.060 0.000 0.960 172 F HN 0.172 nan 8.300 nan 0.000 0.485 173 L N 0.044 121.050 121.223 -0.362 0.000 2.021 173 L HA -0.311 4.029 4.340 -0.000 0.000 0.215 173 L C 2.585 179.258 176.870 -0.329 0.000 1.074 173 L CA 1.788 56.374 54.840 -0.424 0.000 0.760 173 L CB -1.006 40.790 42.059 -0.438 0.000 0.889 173 L HN 0.313 nan 8.230 nan 0.000 0.433 174 L N -0.369 120.697 121.223 -0.262 0.000 2.191 174 L HA -0.184 4.156 4.340 -0.000 0.000 0.212 174 L C 2.863 179.575 176.870 -0.262 0.000 1.103 174 L CA 1.336 56.050 54.840 -0.209 0.000 0.769 174 L CB -0.682 41.288 42.059 -0.147 0.000 0.908 174 L HN 0.434 nan 8.230 nan 0.000 0.438 175 S N -1.389 114.084 115.700 -0.377 0.000 2.400 175 S HA -0.222 4.248 4.470 -0.000 0.000 0.232 175 S C 1.885 176.169 174.600 -0.527 0.000 1.025 175 S CA 1.002 58.931 58.200 -0.451 0.000 0.993 175 S CB -0.546 62.323 63.200 -0.552 0.000 0.808 175 S HN 0.475 nan 8.310 nan 0.000 0.478 176 H N 1.407 120.241 119.070 -0.392 0.000 2.436 176 H HA 0.330 4.886 4.556 -0.000 0.000 0.294 176 H C 2.602 177.772 175.328 -0.263 0.000 1.048 176 H CA 1.060 56.896 56.048 -0.353 0.000 1.353 176 H CB -0.660 28.870 29.762 -0.387 0.000 1.414 176 H HN 0.599 nan 8.280 nan 0.000 0.536 177 A N 0.743 123.484 122.820 -0.132 0.000 1.930 177 A HA -0.078 4.242 4.320 -0.000 0.000 0.217 177 A C 2.749 180.264 177.584 -0.116 0.000 1.175 177 A CA 1.251 53.223 52.037 -0.107 0.000 0.627 177 A CB -0.704 18.234 19.000 -0.103 0.000 0.815 177 A HN 0.184 nan 8.150 nan 0.000 0.443 178 V N -0.154 119.669 119.914 -0.152 0.000 2.307 178 V HA -0.225 3.895 4.120 -0.000 0.000 0.245 178 V C 3.067 179.066 176.094 -0.158 0.000 1.045 178 V CA 1.910 64.126 62.300 -0.140 0.000 1.024 178 V CB -1.219 30.514 31.823 -0.151 0.000 0.651 178 V HN 0.603 nan 8.190 nan 0.000 0.449 179 A N -0.234 122.436 122.820 -0.251 0.000 1.877 179 A HA -0.168 4.152 4.320 -0.000 0.000 0.216 179 A C 2.217 179.677 177.584 -0.206 0.000 1.186 179 A CA 1.826 53.632 52.037 -0.386 0.000 0.620 179 A CB -0.616 17.893 19.000 -0.819 0.000 0.822 179 A HN 0.492 nan 8.150 nan 0.000 0.443 180 L N -0.782 120.364 121.223 -0.130 0.000 2.079 180 L HA -0.172 4.168 4.340 -0.000 0.000 0.210 180 L C 2.705 179.576 176.870 0.002 0.000 1.081 180 L CA 1.703 56.540 54.840 -0.005 0.000 0.752 180 L CB -0.783 41.265 42.059 -0.019 0.000 0.896 180 L HN 0.343 nan 8.230 nan 0.000 0.433 181 T N -0.850 113.684 114.554 -0.033 0.000 2.833 181 T HA -0.141 4.209 4.350 -0.000 0.000 0.269 181 T C 2.002 176.699 174.700 -0.005 0.000 1.054 181 T CA 1.016 63.103 62.100 -0.022 0.000 1.135 181 T CB -0.092 68.753 68.868 -0.038 0.000 0.869 181 T HN 0.294 nan 8.240 nan 0.000 0.466 182 R N 0.740 121.240 120.500 0.001 0.000 2.115 182 R HA -0.031 4.309 4.340 -0.000 0.000 0.226 182 R C 1.958 178.286 176.300 0.047 0.000 1.100 182 R CA 1.042 57.156 56.100 0.023 0.000 0.980 182 R CB -0.145 30.175 30.300 0.033 0.000 0.875 182 R HN 0.343 nan 8.270 nan 0.000 0.445 183 D N -0.026 120.418 120.400 0.073 0.000 2.117 183 D HA -0.120 4.520 4.640 -0.000 0.000 0.198 183 D C 1.802 178.123 176.300 0.035 0.000 0.982 183 D CA 1.190 55.226 54.000 0.061 0.000 0.828 183 D CB -0.189 40.663 40.800 0.085 0.000 0.967 183 D HN -0.006 nan 8.370 nan 0.000 0.464 184 S N -0.002 115.715 115.700 0.029 0.000 2.382 184 S HA -0.181 4.289 4.470 -0.000 0.000 0.228 184 S C 1.812 176.423 174.600 0.018 0.000 1.027 184 S CA 1.263 59.475 58.200 0.021 0.000 0.991 184 S CB -0.009 63.198 63.200 0.011 0.000 0.823 184 S HN 0.246 nan 8.310 nan 0.000 0.469 185 E N 0.296 120.506 120.200 0.016 0.000 2.072 185 E HA -0.100 4.250 4.350 -0.000 0.000 0.191 185 E C 2.387 178.999 176.600 0.020 0.000 0.985 185 E CA 0.756 57.164 56.400 0.013 0.000 0.801 185 E CB -0.032 29.673 29.700 0.009 0.000 0.750 185 E HN 0.408 nan 8.360 nan 0.000 0.452 186 R N 0.041 120.556 120.500 0.024 0.000 2.096 186 R HA -0.102 4.238 4.340 -0.000 0.000 0.235 186 R C 2.521 178.847 176.300 0.042 0.000 1.127 186 R CA 0.995 57.111 56.100 0.028 0.000 0.968 186 R CB -0.203 30.109 30.300 0.019 0.000 0.861 186 R HN 0.276 nan 8.270 nan 0.000 0.440 187 L N -0.666 120.584 121.223 0.046 0.000 2.056 187 L HA -0.098 4.242 4.340 -0.000 0.000 0.207 187 L C 2.555 179.458 176.870 0.055 0.000 1.078 187 L CA 1.389 56.272 54.840 0.071 0.000 0.749 187 L CB -0.775 41.327 42.059 0.072 0.000 0.901 187 L HN 0.362 nan 8.230 nan 0.000 0.433 188 G N -0.335 108.484 108.800 0.032 0.000 2.440 188 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.218 188 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.218 188 G C 1.390 176.303 174.900 0.023 0.000 1.154 188 G CA 0.735 45.846 45.100 0.018 0.000 0.767 188 G HN 0.443 nan 8.290 nan 0.000 0.552 189 E N -0.055 120.164 120.200 0.030 0.000 2.106 189 E HA -0.064 4.286 4.350 -0.000 0.000 0.192 189 E C 2.686 179.316 176.600 0.050 0.000 0.984 189 E CA 0.909 57.329 56.400 0.034 0.000 0.806 189 E CB -0.071 29.648 29.700 0.032 0.000 0.750 189 E HN 0.369 nan 8.360 nan 0.000 0.458 190 V N 1.560 121.516 119.914 0.070 0.000 2.453 190 V HA -0.210 3.910 4.120 -0.000 0.000 0.247 190 V C 2.307 178.448 176.094 0.080 0.000 1.048 190 V CA 1.457 63.819 62.300 0.102 0.000 1.049 190 V CB -0.429 31.492 31.823 0.163 0.000 0.672 190 V HN 0.162 nan 8.190 nan 0.000 0.457 191 K N 0.364 120.793 120.400 0.048 0.000 2.103 191 K HA -0.235 4.085 4.320 -0.000 0.000 0.207 191 K C 2.258 178.854 176.600 -0.007 0.000 1.048 191 K CA 1.566 57.855 56.287 0.002 0.000 0.930 191 K CB -0.088 32.401 32.500 -0.018 0.000 0.716 191 K HN 0.406 nan 8.250 nan 0.000 0.444 192 K N -0.010 120.397 120.400 0.011 0.000 2.026 192 K HA -0.128 4.192 4.320 -0.000 0.000 0.208 192 K C 2.238 178.854 176.600 0.027 0.000 1.048 192 K CA 1.403 57.696 56.287 0.011 0.000 0.929 192 K CB -0.058 32.452 32.500 0.017 0.000 0.713 192 K HN 0.120 nan 8.250 nan 0.000 0.439 193 R N 0.497 121.026 120.500 0.048 0.000 2.148 193 R HA 0.013 4.353 4.340 -0.000 0.000 0.227 193 R C 2.245 178.579 176.300 0.057 0.000 1.103 193 R CA 0.776 56.914 56.100 0.064 0.000 0.983 193 R CB -0.117 30.236 30.300 0.089 0.000 0.874 193 R HN 0.216 nan 8.270 nan 0.000 0.451 194 I N 0.795 121.393 120.570 0.046 0.000 2.394 194 I HA -0.209 3.961 4.170 -0.000 0.000 0.251 194 I C 1.214 177.323 176.117 -0.013 0.000 1.136 194 I CA 0.758 62.051 61.300 -0.011 0.000 1.425 194 I CB -0.183 37.814 38.000 -0.005 0.000 1.079 194 I HN 0.071 nan 8.210 nan 0.000 0.425 195 N N 1.126 119.820 118.700 -0.010 0.000 2.542 195 N HA 0.028 4.768 4.740 -0.000 0.000 0.234 195 N C -0.822 174.849 175.510 0.268 0.000 1.257 195 N CA 0.189 53.224 53.050 -0.025 0.000 0.883 195 N CB -0.148 38.273 38.487 -0.111 0.000 1.197 195 N HN -0.073 nan 8.380 nan 0.000 0.488 196 V N 1.630 121.747 119.914 0.339 0.000 2.409 196 V HA 0.284 4.404 4.120 -0.000 0.000 0.291 196 V C -0.037 176.064 176.094 0.011 0.000 1.020 196 V CA -1.147 61.284 62.300 0.218 0.000 0.848 196 V CB 1.598 33.458 31.823 0.060 0.000 0.990 196 V HN 0.105 nan 8.190 nan 0.000 0.430 197 L N 9.716 130.737 121.223 -0.336 0.000 2.477 197 L HA 0.354 4.694 4.340 -0.000 0.000 0.272 197 L C -1.301 175.290 176.870 -0.466 0.000 1.157 197 L CA -0.434 53.826 54.840 -0.967 0.000 0.889 197 L CB 0.922 42.471 42.059 -0.850 0.000 1.158 197 L HN 0.416 nan 8.230 nan 0.000 0.473 198 P HA -0.025 nan 4.420 nan 0.000 0.244 198 P C 0.540 177.723 177.300 -0.196 0.000 1.191 198 P CA -0.027 62.934 63.100 -0.233 0.000 0.829 198 P CB 0.411 31.996 31.700 -0.190 0.000 1.008 199 L N 1.185 122.264 121.223 -0.241 0.000 2.628 199 L HA 0.098 4.438 4.340 -0.000 0.000 0.274 199 L C 1.085 177.898 176.870 -0.094 0.000 1.209 199 L CA 2.060 56.804 54.840 -0.160 0.000 0.930 199 L CB -0.696 41.277 42.059 -0.143 0.000 1.183 199 L HN 0.382 nan 8.230 nan 0.000 0.492 200 G N 2.484 111.247 108.800 -0.061 0.000 2.148 200 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.157 200 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.157 200 G C 0.617 175.496 174.900 -0.036 0.000 1.012 200 G CA 0.175 45.269 45.100 -0.010 0.000 0.677 200 G HN 0.636 nan 8.290 nan 0.000 0.506 201 S N -0.124 115.538 115.700 -0.064 0.000 2.511 201 S HA 0.490 4.960 4.470 -0.000 0.000 0.214 201 S C 1.827 176.391 174.600 -0.060 0.000 0.997 201 S CA 1.185 59.352 58.200 -0.055 0.000 0.908 201 S CB 0.450 63.617 63.200 -0.056 0.000 0.803 201 S HN 2.207 nan 8.310 nan 0.000 0.504 202 G N 1.837 110.586 108.800 -0.084 0.000 2.601 202 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.261 202 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.261 202 G C 0.885 175.719 174.900 -0.109 0.000 1.289 202 G CA -0.077 44.964 45.100 -0.099 0.000 0.920 202 G HN 0.676 nan 8.290 nan 0.000 0.571 203 A N -1.077 121.683 122.820 -0.100 0.000 2.015 203 A HA 0.426 4.746 4.320 -0.000 0.000 0.219 203 A C 2.128 179.673 177.584 -0.064 0.000 1.163 203 A CA 3.153 55.127 52.037 -0.105 0.000 0.646 203 A CB -0.370 18.580 19.000 -0.085 0.000 0.806 203 A HN 2.296 nan 8.150 nan 0.000 0.448 204 L N -7.433 113.768 121.223 -0.037 0.000 5.204 204 L HA 0.350 4.690 4.340 -0.000 0.000 0.544 204 L C 1.204 178.071 176.870 -0.006 0.000 0.708 204 L CA 0.635 55.471 54.840 -0.007 0.000 2.326 204 L CB -0.631 41.438 42.059 0.017 0.000 2.233 204 L HN 0.037 nan 8.230 nan 0.000 0.566 205 A N 0.918 123.730 122.820 -0.013 0.000 2.348 205 A HA 0.773 5.093 4.320 -0.000 0.000 0.224 205 A C 1.204 178.780 177.584 -0.013 0.000 1.227 205 A CA 0.748 52.779 52.037 -0.009 0.000 0.885 205 A CB -0.103 18.892 19.000 -0.008 0.000 0.933 205 A HN 1.431 nan 8.150 nan 0.000 0.506 206 G N -0.310 108.478 108.800 -0.021 0.000 2.525 206 G HA2 -0.047 3.913 3.960 -0.000 0.000 0.685 206 G HA3 -0.047 3.913 3.960 -0.000 0.000 0.685 206 G C -0.608 174.278 174.900 -0.022 0.000 1.290 206 G CA -0.358 44.729 45.100 -0.022 0.000 0.915 206 G HN 0.655 nan 8.290 nan 0.000 0.548 207 N N 1.159 119.850 118.700 -0.014 0.000 2.497 207 N HA 0.522 5.262 4.740 -0.000 0.000 0.268 207 N C -0.075 175.433 175.510 -0.003 0.000 1.171 207 N CA -0.714 52.336 53.050 -0.000 0.000 0.948 207 N CB 1.213 39.715 38.487 0.025 0.000 1.069 207 N HN 0.371 nan 8.380 nan 0.000 0.460 208 P HA 0.034 nan 4.420 nan 0.000 0.245 208 P C 0.212 177.508 177.300 -0.006 0.000 1.203 208 P CA 0.747 63.843 63.100 -0.006 0.000 0.792 208 P CB 0.379 32.073 31.700 -0.009 0.000 0.997 209 L N -0.201 121.020 121.223 -0.003 0.000 2.741 209 L HA 0.260 4.600 4.340 -0.000 0.000 0.237 209 L C 0.331 177.189 176.870 -0.019 0.000 1.178 209 L CA -0.157 54.676 54.840 -0.011 0.000 0.973 209 L CB -0.763 41.288 42.059 -0.014 0.000 1.255 209 L HN -0.105 nan 8.230 nan 0.000 0.498 210 D N 1.704 122.095 120.400 -0.015 0.000 2.689 210 D HA -0.243 4.397 4.640 -0.000 0.000 0.237 210 D C 0.158 176.442 176.300 -0.027 0.000 1.148 210 D CA 0.533 54.522 54.000 -0.018 0.000 0.656 210 D CB -0.612 40.177 40.800 -0.018 0.000 1.050 210 D HN 0.341 nan 8.370 nan 0.000 0.426 211 I N 0.452 121.005 120.570 -0.028 0.000 2.754 211 I HA -0.059 4.111 4.170 -0.000 0.000 0.285 211 I C 0.767 176.862 176.117 -0.037 0.000 1.166 211 I CA -0.064 61.206 61.300 -0.050 0.000 1.417 211 I CB 0.525 38.493 38.000 -0.053 0.000 1.382 211 I HN -0.055 nan 8.210 nan 0.000 0.588 212 D N 7.432 127.803 120.400 -0.048 0.000 2.441 212 D HA 0.022 4.662 4.640 -0.000 0.000 0.243 212 D C 1.246 177.530 176.300 -0.027 0.000 1.257 212 D CA 0.286 54.265 54.000 -0.034 0.000 1.027 212 D CB 0.444 41.223 40.800 -0.036 0.000 1.084 212 D HN 0.478 nan 8.370 nan 0.000 0.514 213 R N 2.207 122.695 120.500 -0.021 0.000 2.083 213 R HA -0.210 4.130 4.340 -0.000 0.000 0.237 213 R C 1.719 178.006 176.300 -0.022 0.000 1.137 213 R CA 1.395 57.481 56.100 -0.023 0.000 0.951 213 R CB -0.124 30.159 30.300 -0.029 0.000 0.851 213 R HN 0.382 nan 8.270 nan 0.000 0.434 214 E N 1.228 121.419 120.200 -0.015 0.000 2.171 214 E HA -0.222 4.128 4.350 -0.000 0.000 0.197 214 E C 1.872 178.472 176.600 0.000 0.000 0.997 214 E CA 1.484 57.880 56.400 -0.006 0.000 0.810 214 E CB -0.233 29.465 29.700 -0.004 0.000 0.738 214 E HN 0.264 nan 8.360 nan 0.000 0.467 215 M N -0.441 119.156 119.600 -0.006 0.000 2.175 215 M HA -0.070 4.410 4.480 -0.000 0.000 0.264 215 M C 1.854 178.158 176.300 0.007 0.000 1.063 215 M CA 1.204 56.502 55.300 -0.003 0.000 1.119 215 M CB 0.018 32.609 32.600 -0.016 0.000 1.377 215 M HN 0.259 nan 8.290 nan 0.000 0.415 216 L N -0.635 120.589 121.223 0.002 0.000 2.093 216 L HA -0.203 4.137 4.340 -0.000 0.000 0.208 216 L C 2.699 179.585 176.870 0.027 0.000 1.085 216 L CA 1.078 55.927 54.840 0.015 0.000 0.755 216 L CB -0.711 41.352 42.059 0.007 0.000 0.904 216 L HN 0.359 nan 8.230 nan 0.000 0.435 217 R N -0.170 120.338 120.500 0.015 0.000 2.080 217 R HA -0.222 4.118 4.340 -0.000 0.000 0.236 217 R C 2.566 178.932 176.300 0.110 0.000 1.137 217 R CA 2.075 58.212 56.100 0.062 0.000 0.943 217 R CB -0.405 29.921 30.300 0.042 0.000 0.846 217 R HN 0.261 nan 8.270 nan 0.000 0.431 218 S N 0.389 116.127 115.700 0.064 0.000 2.359 218 S HA -0.196 4.274 4.470 -0.000 0.000 0.222 218 S C 1.817 176.455 174.600 0.063 0.000 1.038 218 S CA 1.608 59.840 58.200 0.054 0.000 1.051 218 S CB -0.338 62.880 63.200 0.031 0.000 0.944 218 S HN 0.403 nan 8.310 nan 0.000 0.433 219 E N 0.698 120.932 120.200 0.057 0.000 2.086 219 E HA -0.154 4.196 4.350 -0.000 0.000 0.200 219 E C 2.029 178.682 176.600 0.088 0.000 1.012 219 E CA 1.412 57.848 56.400 0.060 0.000 0.812 219 E CB -0.422 29.310 29.700 0.053 0.000 0.743 219 E HN 0.584 nan 8.360 nan 0.000 0.453 220 L N 0.299 121.608 121.223 0.143 0.000 2.558 220 L HA 0.018 4.357 4.340 -0.000 0.000 0.225 220 L C 0.276 177.262 176.870 0.193 0.000 1.128 220 L CA 0.199 55.175 54.840 0.226 0.000 0.868 220 L CB -0.120 42.169 42.059 0.384 0.000 1.006 220 L HN 0.073 nan 8.230 nan 0.000 0.454 221 E N -1.127 119.155 120.200 0.137 0.000 2.694 221 E HA -0.236 4.114 4.350 -0.000 0.000 0.272 221 E C -0.285 176.305 176.600 -0.016 0.000 1.040 221 E CA 0.307 56.729 56.400 0.038 0.000 0.809 221 E CB -1.986 27.691 29.700 -0.037 0.000 1.389 221 E HN 0.242 nan 8.360 nan 0.000 0.413 222 F N 0.252 120.188 119.950 -0.024 0.000 2.389 222 F HA 0.317 4.844 4.527 -0.000 0.000 0.337 222 F C 1.787 177.571 175.800 -0.026 0.000 1.112 222 F CA 0.486 58.467 58.000 -0.032 0.000 1.192 222 F CB 0.748 39.726 39.000 -0.037 0.000 1.185 222 F HN 0.030 nan 8.300 nan 0.000 0.552 223 A N 1.761 124.646 122.820 0.109 0.000 1.877 223 A HA 0.022 4.342 4.320 -0.000 0.000 0.216 223 A C 0.936 178.570 177.584 0.083 0.000 1.186 223 A CA 1.863 53.938 52.037 0.063 0.000 0.620 223 A CB -0.564 18.454 19.000 0.031 0.000 0.822 223 A HN 0.718 nan 8.150 nan 0.000 0.443 224 S N -2.183 113.583 115.700 0.112 0.000 2.776 224 S HA 0.667 5.137 4.470 -0.000 0.000 0.292 224 S C -0.468 174.161 174.600 0.049 0.000 1.187 224 S CA -0.240 58.000 58.200 0.067 0.000 0.834 224 S CB 0.598 63.823 63.200 0.042 0.000 1.199 224 S HN 1.025 nan 8.310 nan 0.000 0.514 225 I N -0.166 120.406 120.570 0.004 0.000 2.750 225 I HA 0.755 4.925 4.170 -0.000 0.000 0.308 225 I C 0.026 176.121 176.117 -0.038 0.000 1.016 225 I CA -0.873 60.401 61.300 -0.044 0.000 1.098 225 I CB 2.105 40.075 38.000 -0.050 0.000 1.279 225 I HN 0.831 nan 8.210 nan 0.000 0.454 226 S N 4.098 119.759 115.700 -0.065 0.000 2.572 226 S HA 0.278 4.748 4.470 -0.000 0.000 0.279 226 S C 0.717 175.302 174.600 -0.025 0.000 1.341 226 S CA -0.641 57.533 58.200 -0.042 0.000 1.043 226 S CB 1.071 64.236 63.200 -0.059 0.000 0.887 226 S HN 0.707 nan 8.310 nan 0.000 0.516 227 L N 0.967 122.184 121.223 -0.010 0.000 2.307 227 L HA 0.273 4.613 4.340 -0.000 0.000 0.211 227 L C 0.920 177.788 176.870 -0.003 0.000 1.099 227 L CA 0.400 55.238 54.840 -0.004 0.000 0.816 227 L CB -0.542 41.519 42.059 0.004 0.000 0.952 227 L HN 0.722 nan 8.230 nan 0.000 0.455 228 N N -1.119 117.581 118.700 -0.001 0.000 2.430 228 N HA 0.095 4.835 4.740 -0.000 0.000 0.290 228 N C 0.856 176.367 175.510 0.001 0.000 1.063 228 N CA 0.042 53.094 53.050 0.002 0.000 0.883 228 N CB 1.419 39.912 38.487 0.010 0.000 1.465 228 N HN -0.023 nan 8.380 nan 0.000 0.493 229 S N 3.364 119.062 115.700 -0.004 0.000 2.370 229 S HA -0.241 4.229 4.470 -0.000 0.000 0.226 229 S C 1.682 176.286 174.600 0.007 0.000 1.033 229 S CA 1.028 59.224 58.200 -0.007 0.000 1.011 229 S CB -0.335 62.858 63.200 -0.012 0.000 0.852 229 S HN 0.666 nan 8.310 nan 0.000 0.457 230 M N 1.523 121.131 119.600 0.014 0.000 2.159 230 M HA -0.078 4.401 4.480 -0.000 0.000 0.263 230 M C 2.235 178.558 176.300 0.038 0.000 1.063 230 M CA 1.953 57.270 55.300 0.027 0.000 1.110 230 M CB -0.588 32.026 32.600 0.024 0.000 1.374 230 M HN 0.376 nan 8.290 nan 0.000 0.411 231 D N 0.405 120.825 120.400 0.033 0.000 2.097 231 D HA -0.086 4.554 4.640 -0.000 0.000 0.197 231 D C 1.914 178.249 176.300 0.059 0.000 0.984 231 D CA 1.668 55.694 54.000 0.044 0.000 0.826 231 D CB 0.089 40.911 40.800 0.037 0.000 0.973 231 D HN 0.239 nan 8.370 nan 0.000 0.460 232 A N 0.592 123.436 122.820 0.040 0.000 1.883 232 A HA -0.161 4.159 4.320 -0.000 0.000 0.217 232 A C 2.274 179.899 177.584 0.069 0.000 1.186 232 A CA 1.343 53.403 52.037 0.037 0.000 0.624 232 A CB -0.761 18.233 19.000 -0.009 0.000 0.822 232 A HN 0.355 nan 8.150 nan 0.000 0.444 233 I N 0.649 121.257 120.570 0.062 0.000 2.315 233 I HA -0.146 4.024 4.170 -0.000 0.000 0.248 233 I C 2.597 178.814 176.117 0.166 0.000 1.117 233 I CA 2.107 63.464 61.300 0.096 0.000 1.404 233 I CB -1.116 36.925 38.000 0.068 0.000 1.071 233 I HN 0.536 nan 8.210 nan 0.000 0.419 234 S N -0.016 115.761 115.700 0.128 0.000 2.503 234 S HA 0.014 4.484 4.470 -0.000 0.000 0.215 234 S C 0.678 175.327 174.600 0.081 0.000 1.003 234 S CA -0.483 57.780 58.200 0.105 0.000 0.910 234 S CB -0.321 62.919 63.200 0.067 0.000 0.790 234 S HN 0.534 nan 8.310 nan 0.000 0.514 235 E N 1.250 121.514 120.200 0.107 0.000 2.373 235 E HA 0.425 4.775 4.350 -0.000 0.000 0.263 235 E C 0.225 176.895 176.600 0.117 0.000 1.073 235 E CA -0.704 55.758 56.400 0.104 0.000 0.894 235 E CB 0.463 30.240 29.700 0.129 0.000 1.008 235 E HN -0.037 nan 8.360 nan 0.000 0.420 236 R N 1.795 122.291 120.500 -0.006 0.000 2.548 236 R HA 0.109 4.449 4.340 -0.000 0.000 0.449 236 R C -0.448 175.686 176.300 -0.277 0.000 0.928 236 R CA -0.203 55.734 56.100 -0.271 0.000 1.107 236 R CB -0.041 30.112 30.300 -0.245 0.000 1.557 236 R HN 0.618 nan 8.270 nan 0.000 0.584 237 D N 0.831 121.210 120.400 -0.034 0.000 2.116 237 D HA -0.197 4.443 4.640 -0.000 0.000 0.193 237 D C 1.669 177.995 176.300 0.044 0.000 0.998 237 D CA 1.590 55.610 54.000 0.033 0.000 0.836 237 D CB -0.252 40.620 40.800 0.120 0.000 0.951 237 D HN 0.353 nan 8.370 nan 0.000 0.449 238 F N -0.146 119.846 119.950 0.070 0.000 2.202 238 F HA -0.146 4.381 4.527 -0.000 0.000 0.301 238 F C 2.061 177.936 175.800 0.126 0.000 1.082 238 F CA 0.596 58.648 58.000 0.086 0.000 1.313 238 F CB -0.988 38.053 39.000 0.067 0.000 1.024 238 F HN -0.149 nan 8.300 nan 0.000 0.495 239 V N 0.787 120.354 119.914 -0.579 0.000 2.283 239 V HA -0.220 3.899 4.120 -0.000 0.000 0.243 239 V C 2.586 178.667 176.094 -0.022 0.000 1.039 239 V CA 1.565 63.714 62.300 -0.250 0.000 1.016 239 V CB -0.622 30.973 31.823 -0.380 0.000 0.650 239 V HN 0.357 nan 8.190 nan 0.000 0.449 240 V N 1.438 121.304 119.914 -0.081 0.000 2.231 240 V HA -0.351 3.769 4.120 -0.000 0.000 0.248 240 V C 2.570 178.675 176.094 0.018 0.000 1.054 240 V CA 2.661 64.944 62.300 -0.028 0.000 1.015 240 V CB -1.090 30.712 31.823 -0.036 0.000 0.638 240 V HN 0.850 nan 8.190 nan 0.000 0.444 241 E N 0.018 120.251 120.200 0.054 0.000 2.110 241 E HA -0.286 4.064 4.350 -0.000 0.000 0.193 241 E C 2.161 178.818 176.600 0.094 0.000 0.988 241 E CA 1.751 58.193 56.400 0.069 0.000 0.804 241 E CB -0.595 29.158 29.700 0.090 0.000 0.745 241 E HN 0.555 nan 8.360 nan 0.000 0.458 242 F N 2.396 122.358 119.950 0.021 0.000 2.095 242 F HA -0.106 4.421 4.527 -0.000 0.000 0.298 242 F C 1.935 177.741 175.800 0.010 0.000 1.104 242 F CA 1.408 59.424 58.000 0.027 0.000 1.232 242 F CB -0.257 38.773 39.000 0.051 0.000 0.987 242 F HN -0.085 nan 8.300 nan 0.000 0.475 243 L N -0.835 120.262 121.223 -0.210 0.000 2.131 243 L HA -0.190 4.150 4.340 -0.000 0.000 0.210 243 L C 2.729 179.476 176.870 -0.206 0.000 1.092 243 L CA 1.306 55.972 54.840 -0.290 0.000 0.759 243 L CB -1.072 40.923 42.059 -0.106 0.000 0.903 243 L HN 0.221 nan 8.230 nan 0.000 0.435 244 S N -0.190 115.441 115.700 -0.115 0.000 2.348 244 S HA -0.146 4.324 4.470 -0.000 0.000 0.221 244 S C 1.970 176.506 174.600 -0.106 0.000 1.033 244 S CA 1.363 59.520 58.200 -0.073 0.000 1.010 244 S CB -0.095 63.087 63.200 -0.030 0.000 0.891 244 S HN 0.174 nan 8.310 nan 0.000 0.442 245 V N 2.022 121.867 119.914 -0.116 0.000 2.427 245 V HA -0.096 4.024 4.120 -0.000 0.000 0.248 245 V C 2.732 178.723 176.094 -0.170 0.000 1.051 245 V CA 1.644 63.878 62.300 -0.111 0.000 1.048 245 V CB -1.219 30.574 31.823 -0.050 0.000 0.666 245 V HN 0.585 nan 8.190 nan 0.000 0.456 246 A N -0.306 122.345 122.820 -0.281 0.000 1.902 246 A HA -0.213 4.107 4.320 -0.000 0.000 0.217 246 A C 2.406 179.873 177.584 -0.195 0.000 1.181 246 A CA 2.427 54.288 52.037 -0.292 0.000 0.623 246 A CB -0.946 17.752 19.000 -0.503 0.000 0.818 246 A HN 0.481 nan 8.150 nan 0.000 0.443 247 T N 0.194 114.647 114.554 -0.168 0.000 2.746 247 T HA -0.103 4.247 4.350 -0.000 0.000 0.267 247 T C 1.822 176.427 174.700 -0.159 0.000 1.039 247 T CA 1.304 63.339 62.100 -0.109 0.000 1.142 247 T CB -0.322 68.528 68.868 -0.030 0.000 0.866 247 T HN 0.352 nan 8.240 nan 0.000 0.444 248 L N 0.663 121.769 121.223 -0.194 0.000 2.056 248 L HA -0.056 4.284 4.340 -0.000 0.000 0.207 248 L C 2.399 179.006 176.870 -0.437 0.000 1.078 248 L CA 1.135 55.791 54.840 -0.307 0.000 0.749 248 L CB -0.374 41.523 42.059 -0.271 0.000 0.901 248 L HN 0.263 nan 8.230 nan 0.000 0.433 249 L N -0.239 120.822 121.223 -0.269 0.000 2.012 249 L HA -0.255 4.085 4.340 -0.000 0.000 0.210 249 L C 2.294 179.090 176.870 -0.123 0.000 1.073 249 L CA 1.851 56.593 54.840 -0.163 0.000 0.748 249 L CB -0.950 41.063 42.059 -0.078 0.000 0.891 249 L HN 0.141 nan 8.230 nan 0.000 0.431 250 L N -0.526 120.624 121.223 -0.122 0.000 2.083 250 L HA -0.214 4.126 4.340 -0.000 0.000 0.209 250 L C 2.693 179.509 176.870 -0.089 0.000 1.083 250 L CA 1.349 56.138 54.840 -0.085 0.000 0.752 250 L CB -1.106 40.909 42.059 -0.073 0.000 0.899 250 L HN 0.331 nan 8.230 nan 0.000 0.433 251 I N -0.380 120.100 120.570 -0.149 0.000 2.127 251 I HA -0.333 3.837 4.170 -0.000 0.000 0.241 251 I C 2.516 178.612 176.117 -0.035 0.000 1.075 251 I CA 1.471 62.692 61.300 -0.132 0.000 1.334 251 I CB -1.147 36.731 38.000 -0.204 0.000 1.040 251 I HN 0.407 nan 8.210 nan 0.000 0.405 252 H N 0.142 119.178 119.070 -0.056 0.000 2.353 252 H HA -0.175 4.381 4.556 -0.000 0.000 0.298 252 H C 2.378 177.671 175.328 -0.058 0.000 1.103 252 H CA 1.037 57.062 56.048 -0.039 0.000 1.293 252 H CB -0.008 29.735 29.762 -0.033 0.000 1.372 252 H HN 0.255 nan 8.280 nan 0.000 0.501 253 L N 0.361 121.613 121.223 0.048 0.000 2.141 253 L HA -0.152 4.188 4.340 -0.000 0.000 0.209 253 L C 2.753 179.586 176.870 -0.061 0.000 1.094 253 L CA 1.144 55.960 54.840 -0.039 0.000 0.763 253 L CB -0.390 41.642 42.059 -0.046 0.000 0.908 253 L HN 0.374 nan 8.230 nan 0.000 0.437 254 S N -0.121 115.554 115.700 -0.042 0.000 2.423 254 S HA -0.239 4.231 4.470 -0.000 0.000 0.231 254 S C 1.960 176.530 174.600 -0.050 0.000 1.014 254 S CA 1.267 59.437 58.200 -0.050 0.000 0.965 254 S CB -0.189 62.982 63.200 -0.049 0.000 0.785 254 S HN 0.435 nan 8.310 nan 0.000 0.495 255 K N 0.812 121.197 120.400 -0.025 0.000 2.044 255 K HA 0.105 4.425 4.320 -0.000 0.000 0.204 255 K C 2.406 178.976 176.600 -0.049 0.000 1.049 255 K CA 1.028 57.311 56.287 -0.007 0.000 0.945 255 K CB -0.341 32.194 32.500 0.059 0.000 0.724 255 K HN 0.423 nan 8.250 nan 0.000 0.440 256 M N 0.635 120.144 119.600 -0.151 0.000 2.108 256 M HA -0.165 4.315 4.480 -0.000 0.000 0.261 256 M C 2.065 178.227 176.300 -0.230 0.000 1.066 256 M CA 1.853 56.895 55.300 -0.431 0.000 1.107 256 M CB -0.179 32.009 32.600 -0.687 0.000 1.356 256 M HN 0.341 nan 8.290 nan 0.000 0.406 257 A N 0.081 122.806 122.820 -0.157 0.000 1.865 257 A HA -0.261 4.059 4.320 -0.000 0.000 0.217 257 A C 1.817 179.329 177.584 -0.119 0.000 1.191 257 A CA 2.218 54.186 52.037 -0.114 0.000 0.623 257 A CB -0.998 17.952 19.000 -0.085 0.000 0.826 257 A HN 0.646 nan 8.150 nan 0.000 0.444 258 E N 0.429 120.561 120.200 -0.114 0.000 2.097 258 E HA -0.240 4.110 4.350 -0.000 0.000 0.196 258 E C 1.450 177.920 176.600 -0.217 0.000 1.000 258 E CA 1.930 58.250 56.400 -0.132 0.000 0.804 258 E CB -0.258 29.382 29.700 -0.101 0.000 0.740 258 E HN 0.576 nan 8.360 nan 0.000 0.454 259 D N -0.391 119.873 120.400 -0.226 0.000 2.087 259 D HA -0.157 4.483 4.640 -0.000 0.000 0.192 259 D C 1.888 177.826 176.300 -0.602 0.000 0.993 259 D CA 1.049 54.779 54.000 -0.450 0.000 0.828 259 D CB -0.340 40.396 40.800 -0.107 0.000 0.968 259 D HN 0.188 nan 8.370 nan 0.000 0.448 260 L N 0.952 122.033 121.223 -0.237 0.000 2.083 260 L HA -0.104 4.236 4.340 -0.000 0.000 0.209 260 L C 2.478 179.300 176.870 -0.081 0.000 1.083 260 L CA 0.945 55.747 54.840 -0.063 0.000 0.752 260 L CB -0.855 41.223 42.059 0.032 0.000 0.899 260 L HN 0.115 nan 8.230 nan 0.000 0.433 261 I N -0.932 119.562 120.570 -0.127 0.000 2.127 261 I HA -0.355 3.815 4.170 -0.000 0.000 0.241 261 I C 2.411 178.431 176.117 -0.162 0.000 1.075 261 I CA 1.541 62.776 61.300 -0.108 0.000 1.334 261 I CB -0.282 37.656 38.000 -0.104 0.000 1.040 261 I HN 0.175 nan 8.210 nan 0.000 0.405 262 I N -0.382 120.016 120.570 -0.287 0.000 2.226 262 I HA -0.306 3.864 4.170 -0.000 0.000 0.245 262 I C 2.409 178.226 176.117 -0.501 0.000 1.100 262 I CA 1.298 62.325 61.300 -0.454 0.000 1.374 262 I CB -0.452 37.172 38.000 -0.626 0.000 1.057 262 I HN 0.191 nan 8.210 nan 0.000 0.413 263 Y N 0.882 120.901 120.300 -0.468 0.000 2.403 263 Y HA -0.151 4.399 4.550 -0.000 0.000 0.291 263 Y C 2.861 178.675 175.900 -0.144 0.000 1.143 263 Y CA 0.880 58.800 58.100 -0.299 0.000 1.257 263 Y CB -1.153 37.304 38.460 -0.006 0.000 0.984 263 Y HN 0.294 nan 8.280 nan 0.000 0.550 264 S N -1.075 114.646 115.700 0.034 0.000 2.593 264 S HA 0.012 4.482 4.470 -0.000 0.000 0.217 264 S C 0.871 175.473 174.600 0.003 0.000 0.966 264 S CA -0.025 58.195 58.200 0.034 0.000 0.914 264 S CB -1.098 62.121 63.200 0.033 0.000 0.776 264 S HN 0.362 nan 8.310 nan 0.000 0.523 265 T N 0.805 115.343 114.554 -0.026 0.000 2.919 265 T HA 0.329 4.679 4.350 -0.000 0.000 0.302 265 T C 1.403 176.120 174.700 0.029 0.000 1.031 265 T CA 0.006 62.108 62.100 0.005 0.000 1.127 265 T CB 1.335 70.217 68.868 0.024 0.000 0.952 265 T HN 0.325 nan 8.240 nan 0.000 0.540 266 S N 1.845 117.557 115.700 0.019 0.000 2.402 266 S HA -0.218 4.252 4.470 -0.000 0.000 0.233 266 S C 1.571 176.172 174.600 0.001 0.000 1.030 266 S CA 1.245 59.451 58.200 0.009 0.000 1.003 266 S CB -0.661 62.543 63.200 0.006 0.000 0.813 266 S HN 0.818 nan 8.310 nan 0.000 0.477 267 E N 0.724 120.940 120.200 0.027 0.000 2.118 267 E HA 0.011 4.361 4.350 -0.000 0.000 0.195 267 E C 1.482 178.030 176.600 -0.086 0.000 0.992 267 E CA 1.396 57.797 56.400 0.002 0.000 0.804 267 E CB -0.391 29.350 29.700 0.068 0.000 0.741 267 E HN 0.690 nan 8.360 nan 0.000 0.458 268 F N -0.898 118.880 119.950 -0.287 0.000 2.317 268 F HA 0.236 4.763 4.527 -0.000 0.000 0.290 268 F C 1.748 177.171 175.800 -0.628 0.000 1.075 268 F CA 0.890 58.518 58.000 -0.620 0.000 1.380 268 F CB -0.196 38.335 39.000 -0.782 0.000 1.093 268 F HN 0.106 nan 8.300 nan 0.000 0.524 269 G N 0.176 108.906 108.800 -0.118 0.000 2.341 269 G HA2 -0.335 3.625 3.960 -0.000 0.000 0.292 269 G HA3 -0.335 3.625 3.960 -0.000 0.000 0.292 269 G C 0.863 175.838 174.900 0.125 0.000 1.021 269 G CA 0.589 45.679 45.100 -0.017 0.000 0.905 269 G HN 0.472 nan 8.290 nan 0.000 0.508 270 F N -1.112 118.824 119.950 -0.023 0.000 2.530 270 F HA 0.366 4.893 4.527 -0.000 0.000 0.292 270 F C 1.446 177.130 175.800 -0.193 0.000 1.109 270 F CA 0.510 58.410 58.000 -0.167 0.000 1.450 270 F CB 0.185 39.008 39.000 -0.294 0.000 1.114 270 F HN 0.369 nan 8.300 nan 0.000 0.560 271 L N -2.924 118.363 121.223 0.106 0.000 2.892 271 L HA 0.722 5.062 4.340 -0.000 0.000 0.269 271 L C -1.144 175.763 176.870 0.063 0.000 1.058 271 L CA -0.556 54.311 54.840 0.045 0.000 0.923 271 L CB 2.084 44.174 42.059 0.052 0.000 1.518 271 L HN -0.401 nan 8.230 nan 0.000 0.402 272 T N 1.055 115.644 114.554 0.058 0.000 2.956 272 T HA 0.649 4.998 4.350 -0.000 0.000 0.312 272 T C -0.700 174.045 174.700 0.075 0.000 1.151 272 T CA -0.533 61.602 62.100 0.059 0.000 1.024 272 T CB 1.591 70.485 68.868 0.043 0.000 1.140 272 T HN 0.659 nan 8.240 nan 0.000 0.473 273 L N 2.252 123.524 121.223 0.081 0.000 2.439 273 L HA 0.515 4.855 4.340 -0.000 0.000 0.261 273 L C 1.318 178.256 176.870 0.114 0.000 1.153 273 L CA -0.770 54.136 54.840 0.109 0.000 0.808 273 L CB 0.978 43.109 42.059 0.120 0.000 1.126 273 L HN 0.802 nan 8.230 nan 0.000 0.460 274 S N -0.465 115.330 115.700 0.160 0.000 2.608 274 S HA 0.039 4.509 4.470 -0.000 0.000 0.261 274 S C 0.480 175.136 174.600 0.092 0.000 1.314 274 S CA -0.525 57.755 58.200 0.133 0.000 0.992 274 S CB 0.870 64.180 63.200 0.183 0.000 0.935 274 S HN 0.598 nan 8.310 nan 0.000 0.564 275 D N 1.016 121.435 120.400 0.033 0.000 2.224 275 D HA 0.076 4.715 4.640 -0.000 0.000 0.205 275 D C 2.125 178.376 176.300 -0.083 0.000 0.965 275 D CA 1.483 55.476 54.000 -0.011 0.000 0.852 275 D CB -0.825 39.963 40.800 -0.019 0.000 0.947 275 D HN 0.685 nan 8.370 nan 0.000 0.494 276 A N -0.225 122.496 122.820 -0.166 0.000 2.019 276 A HA -0.113 4.207 4.320 -0.000 0.000 0.219 276 A C 1.188 178.329 177.584 -0.739 0.000 1.164 276 A CA 0.910 52.660 52.037 -0.477 0.000 0.644 276 A CB -0.527 18.086 19.000 -0.645 0.000 0.805 276 A HN 0.238 nan 8.150 nan 0.000 0.449 277 F N -0.213 119.743 119.950 0.010 0.000 2.735 277 F HA 0.265 4.792 4.527 -0.000 0.000 0.304 277 F C 0.905 176.708 175.800 0.006 0.000 1.119 277 F CA 0.241 58.245 58.000 0.007 0.000 1.280 277 F CB 0.380 39.386 39.000 0.009 0.000 0.994 277 F HN 0.198 nan 8.300 nan 0.000 0.520 278 S N -1.890 113.856 115.700 0.077 0.000 2.806 278 S HA 0.840 5.310 4.470 -0.000 0.000 0.306 278 S C -0.496 174.114 174.600 0.018 0.000 1.167 278 S CA -0.615 57.620 58.200 0.058 0.000 0.847 278 S CB 2.581 65.817 63.200 0.060 0.000 1.216 278 S HN -0.119 nan 8.310 nan 0.000 0.532 279 T N -0.582 113.982 114.554 0.017 0.000 2.883 279 T HA 0.871 5.221 4.350 -0.000 0.000 0.301 279 T C -0.280 174.424 174.700 0.007 0.000 1.158 279 T CA 0.003 62.106 62.100 0.006 0.000 1.007 279 T CB 1.564 70.436 68.868 0.006 0.000 1.186 279 T HN 1.452 nan 8.240 nan 0.000 0.499 280 G N 0.812 109.614 108.800 0.003 0.000 2.430 280 G HA2 0.604 4.564 3.960 -0.000 0.000 0.300 280 G HA3 0.604 4.564 3.960 -0.000 0.000 0.300 280 G C -1.161 173.739 174.900 0.001 0.000 1.330 280 G CA -0.013 45.089 45.100 0.004 0.000 0.813 280 G HN 1.057 nan 8.290 nan 0.000 0.487 281 S N -1.784 113.917 115.700 0.002 0.000 2.740 281 S HA 0.728 5.197 4.470 -0.000 0.000 0.300 281 S C 0.891 175.491 174.600 0.001 0.000 1.147 281 S CA 0.465 58.665 58.200 0.000 0.000 0.871 281 S CB 1.504 64.705 63.200 0.001 0.000 1.173 281 S HN 0.839 nan 8.310 nan 0.000 0.510 282 S N 0.422 116.122 115.700 0.000 0.000 2.436 282 S HA 0.063 4.533 4.470 -0.000 0.000 0.228 282 S C 1.666 176.267 174.600 0.001 0.000 1.014 282 S CA 0.359 58.559 58.200 0.000 0.000 0.950 282 S CB -0.510 62.690 63.200 -0.000 0.000 0.784 282 S HN 0.552 nan 8.310 nan 0.000 0.504 283 L N 0.497 121.721 121.223 0.001 0.000 2.093 283 L HA 0.186 4.526 4.340 -0.000 0.000 0.208 283 L C 0.975 177.846 176.870 0.002 0.000 1.085 283 L CA 1.572 56.413 54.840 0.001 0.000 0.755 283 L CB -1.034 41.026 42.059 0.001 0.000 0.904 283 L HN 0.376 nan 8.230 nan 0.000 0.435 284 M N 0.956 120.557 119.600 0.002 0.000 2.126 284 M HA 0.187 4.667 4.480 -0.000 0.000 0.217 284 M C -1.664 174.638 176.300 0.004 0.000 0.873 284 M CA -0.981 54.321 55.300 0.003 0.000 0.707 284 M CB 2.071 34.673 32.600 0.004 0.000 1.515 284 M HN -0.174 nan 8.290 nan 0.000 0.369 285 P HA -0.083 nan 4.420 nan 0.000 0.233 285 P C 0.792 178.096 177.300 0.006 0.000 1.167 285 P CA 1.059 64.161 63.100 0.004 0.000 0.770 285 P CB 0.402 32.104 31.700 0.003 0.000 0.837 286 Q N -0.053 119.751 119.800 0.006 0.000 2.280 286 Q HA 0.149 4.489 4.340 -0.000 0.000 0.201 286 Q C 0.486 176.492 176.000 0.010 0.000 0.890 286 Q CA 0.143 55.951 55.803 0.008 0.000 0.947 286 Q CB -0.067 28.675 28.738 0.007 0.000 1.081 286 Q HN 0.125 nan 8.270 nan 0.000 0.502 287 K N 0.300 120.706 120.400 0.009 0.000 2.259 287 K HA 0.426 4.746 4.320 -0.000 0.000 0.249 287 K C -1.137 175.470 176.600 0.013 0.000 0.942 287 K CA -0.608 55.685 56.287 0.010 0.000 0.816 287 K CB 0.968 33.472 32.500 0.008 0.000 1.155 287 K HN -0.159 nan 8.250 nan 0.000 0.428 288 K N 2.741 123.151 120.400 0.016 0.000 2.471 288 K HA 0.321 4.641 4.320 -0.000 0.000 0.252 288 K C -1.100 175.512 176.600 0.020 0.000 0.938 288 K CA -0.994 55.305 56.287 0.020 0.000 0.796 288 K CB 1.544 34.061 32.500 0.029 0.000 1.161 288 K HN 0.529 nan 8.250 nan 0.000 0.425 289 N N 3.848 122.559 118.700 0.018 0.000 2.472 289 N HA 0.144 4.884 4.740 -0.000 0.000 0.277 289 N C -2.247 173.278 175.510 0.026 0.000 1.081 289 N CA -1.484 51.575 53.050 0.016 0.000 0.973 289 N CB 0.958 39.452 38.487 0.012 0.000 1.105 289 N HN 0.308 nan 8.380 nan 0.000 0.470 290 P HA 0.146 nan 4.420 nan 0.000 0.218 290 P C -0.349 176.969 177.300 0.030 0.000 1.793 290 P CA -0.139 62.979 63.100 0.031 0.000 0.941 290 P CB 0.093 31.800 31.700 0.012 0.000 1.919 291 D N 0.872 121.295 120.400 0.038 0.000 2.116 291 D HA -0.200 4.440 4.640 -0.000 0.000 0.193 291 D C 2.264 178.591 176.300 0.046 0.000 0.998 291 D CA 2.310 56.331 54.000 0.035 0.000 0.836 291 D CB -0.330 40.490 40.800 0.034 0.000 0.951 291 D HN 0.282 nan 8.370 nan 0.000 0.449 292 S N 0.464 116.213 115.700 0.082 0.000 2.359 292 S HA -0.211 4.259 4.470 -0.000 0.000 0.222 292 S C 2.158 176.779 174.600 0.035 0.000 1.038 292 S CA 0.958 59.216 58.200 0.097 0.000 1.051 292 S CB -0.947 62.361 63.200 0.179 0.000 0.944 292 S HN 0.275 nan 8.310 nan 0.000 0.433 293 L N 1.445 122.678 121.223 0.016 0.000 2.131 293 L HA -0.095 4.245 4.340 -0.000 0.000 0.210 293 L C 2.941 179.799 176.870 -0.021 0.000 1.092 293 L CA 1.646 56.476 54.840 -0.018 0.000 0.759 293 L CB -0.694 41.349 42.059 -0.027 0.000 0.903 293 L HN 0.467 nan 8.230 nan 0.000 0.435 294 E N 0.107 120.302 120.200 -0.009 0.000 2.107 294 E HA -0.160 4.190 4.350 -0.000 0.000 0.191 294 E C 2.379 178.974 176.600 -0.008 0.000 0.982 294 E CA 0.774 57.166 56.400 -0.012 0.000 0.809 294 E CB -0.042 29.654 29.700 -0.007 0.000 0.756 294 E HN 0.454 nan 8.360 nan 0.000 0.459 295 L N 0.825 122.050 121.223 0.002 0.000 1.989 295 L HA -0.226 4.114 4.340 -0.000 0.000 0.211 295 L C 2.543 179.410 176.870 -0.005 0.000 1.071 295 L CA 1.172 56.014 54.840 0.004 0.000 0.749 295 L CB -0.479 41.590 42.059 0.015 0.000 0.890 295 L HN 0.161 nan 8.230 nan 0.000 0.431 296 I N -0.470 120.094 120.570 -0.011 0.000 2.194 296 I HA -0.352 3.818 4.170 -0.000 0.000 0.246 296 I C 2.873 178.974 176.117 -0.028 0.000 1.093 296 I CA 1.349 62.636 61.300 -0.023 0.000 1.355 296 I CB -0.343 37.635 38.000 -0.037 0.000 1.046 296 I HN 0.260 nan 8.210 nan 0.000 0.413 297 R N 0.971 121.454 120.500 -0.030 0.000 2.073 297 R HA -0.204 4.136 4.340 -0.000 0.000 0.234 297 R C 2.556 178.843 176.300 -0.022 0.000 1.134 297 R CA 2.065 58.145 56.100 -0.033 0.000 0.952 297 R CB -0.267 30.012 30.300 -0.036 0.000 0.850 297 R HN 0.463 nan 8.270 nan 0.000 0.433 298 S N 0.281 115.973 115.700 -0.014 0.000 2.419 298 S HA -0.082 4.388 4.470 -0.000 0.000 0.233 298 S C 1.572 176.172 174.600 0.001 0.000 1.016 298 S CA 0.846 59.044 58.200 -0.004 0.000 0.974 298 S CB -0.074 63.125 63.200 -0.001 0.000 0.786 298 S HN 0.233 nan 8.310 nan 0.000 0.492 299 K N 1.603 122.000 120.400 -0.005 0.000 2.365 299 K HA 0.264 4.584 4.320 -0.000 0.000 0.199 299 K C 2.250 178.850 176.600 -0.001 0.000 1.045 299 K CA 0.931 57.216 56.287 -0.003 0.000 0.962 299 K CB -0.940 31.555 32.500 -0.009 0.000 0.759 299 K HN 0.550 nan 8.250 nan 0.000 0.469 300 A N 1.050 123.866 122.820 -0.006 0.000 1.930 300 A HA -0.048 4.272 4.320 -0.000 0.000 0.217 300 A C 2.424 180.039 177.584 0.053 0.000 1.175 300 A CA 1.882 53.915 52.037 -0.006 0.000 0.627 300 A CB -0.871 18.107 19.000 -0.037 0.000 0.815 300 A HN 0.346 nan 8.150 nan 0.000 0.443 301 G N -0.622 108.214 108.800 0.061 0.000 2.414 301 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.215 301 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.215 301 G C 1.732 176.700 174.900 0.112 0.000 1.188 301 G CA 0.927 46.106 45.100 0.132 0.000 0.783 301 G HN 0.507 nan 8.290 nan 0.000 0.537 302 R N -0.040 120.486 120.500 0.044 0.000 2.112 302 R HA -0.129 4.210 4.340 -0.000 0.000 0.242 302 R C 2.661 178.960 176.300 -0.001 0.000 1.137 302 R CA 2.079 58.184 56.100 0.009 0.000 0.944 302 R CB -0.631 29.669 30.300 0.001 0.000 0.857 302 R HN 0.277 nan 8.270 nan 0.000 0.435 303 V N 0.918 120.840 119.914 0.013 0.000 2.295 303 V HA -0.243 3.877 4.120 -0.000 0.000 0.246 303 V C 2.123 178.232 176.094 0.025 0.000 1.049 303 V CA 1.899 64.195 62.300 -0.007 0.000 1.024 303 V CB -0.787 31.018 31.823 -0.029 0.000 0.648 303 V HN 0.358 nan 8.190 nan 0.000 0.447 304 F N 2.379 122.283 119.950 -0.078 0.000 2.120 304 F HA -0.112 4.415 4.527 -0.000 0.000 0.300 304 F C 2.112 177.876 175.800 -0.061 0.000 1.095 304 F CA 1.560 59.517 58.000 -0.073 0.000 1.249 304 F CB -1.084 37.878 39.000 -0.064 0.000 0.995 304 F HN 0.127 nan 8.300 nan 0.000 0.480 305 G N 0.794 109.404 108.800 -0.316 0.000 2.446 305 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.217 305 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.217 305 G C 1.812 176.539 174.900 -0.288 0.000 1.168 305 G CA 0.642 45.500 45.100 -0.403 0.000 0.771 305 G HN 0.217 nan 8.290 nan 0.000 0.551 306 R N -0.084 120.314 120.500 -0.170 0.000 2.105 306 R HA -0.018 4.322 4.340 -0.000 0.000 0.239 306 R C 2.462 178.682 176.300 -0.133 0.000 1.135 306 R CA 0.933 56.957 56.100 -0.126 0.000 0.967 306 R CB -1.294 28.959 30.300 -0.078 0.000 0.861 306 R HN 0.467 nan 8.270 nan 0.000 0.442 307 L N 0.800 121.940 121.223 -0.137 0.000 2.017 307 L HA -0.059 4.281 4.340 -0.000 0.000 0.208 307 L C 2.220 179.000 176.870 -0.150 0.000 1.073 307 L CA 2.193 56.971 54.840 -0.104 0.000 0.745 307 L CB -0.911 41.138 42.059 -0.016 0.000 0.894 307 L HN 0.152 nan 8.230 nan 0.000 0.432 308 A N -0.544 122.100 122.820 -0.294 0.000 1.883 308 A HA -0.263 4.057 4.320 -0.000 0.000 0.217 308 A C 2.512 179.984 177.584 -0.187 0.000 1.186 308 A CA 2.572 54.434 52.037 -0.291 0.000 0.624 308 A CB -1.346 17.344 19.000 -0.517 0.000 0.822 308 A HN 0.721 nan 8.150 nan 0.000 0.444 309 S N 0.181 115.772 115.700 -0.183 0.000 2.359 309 S HA -0.165 4.305 4.470 -0.000 0.000 0.224 309 S C 1.783 176.320 174.600 -0.104 0.000 1.035 309 S CA 1.616 59.738 58.200 -0.131 0.000 1.018 309 S CB -0.644 62.482 63.200 -0.123 0.000 0.876 309 S HN 0.348 nan 8.310 nan 0.000 0.448 310 I N 2.196 122.706 120.570 -0.100 0.000 2.361 310 I HA -0.030 4.140 4.170 -0.000 0.000 0.251 310 I C 2.467 178.537 176.117 -0.078 0.000 1.133 310 I CA 0.721 61.969 61.300 -0.087 0.000 1.413 310 I CB -1.613 36.336 38.000 -0.086 0.000 1.073 310 I HN 0.326 nan 8.210 nan 0.000 0.424 311 L N -0.292 120.886 121.223 -0.076 0.000 2.046 311 L HA -0.213 4.127 4.340 -0.000 0.000 0.208 311 L C 2.693 179.529 176.870 -0.057 0.000 1.077 311 L CA 1.424 56.229 54.840 -0.058 0.000 0.747 311 L CB -0.417 41.614 42.059 -0.047 0.000 0.896 311 L HN 0.228 nan 8.230 nan 0.000 0.432 312 M N -0.689 118.872 119.600 -0.066 0.000 2.132 312 M HA -0.166 4.314 4.480 -0.000 0.000 0.263 312 M C 2.216 178.482 176.300 -0.057 0.000 1.065 312 M CA 1.424 56.688 55.300 -0.059 0.000 1.122 312 M CB 0.056 32.617 32.600 -0.065 0.000 1.365 312 M HN -0.000 nan 8.290 nan 0.000 0.411 313 V N 1.398 121.273 119.914 -0.065 0.000 2.250 313 V HA -0.333 3.787 4.120 -0.000 0.000 0.250 313 V C 2.300 178.356 176.094 -0.064 0.000 1.060 313 V CA 2.173 64.434 62.300 -0.066 0.000 1.030 313 V CB -0.799 30.981 31.823 -0.072 0.000 0.643 313 V HN 0.567 nan 8.190 nan 0.000 0.445 314 L N -0.499 120.686 121.223 -0.063 0.000 2.291 314 L HA -0.020 4.320 4.340 -0.000 0.000 0.214 314 L C 1.495 178.338 176.870 -0.044 0.000 1.120 314 L CA 0.562 55.368 54.840 -0.057 0.000 0.799 314 L CB -0.471 41.555 42.059 -0.055 0.000 0.925 314 L HN 0.202 nan 8.230 nan 0.000 0.446 315 K N 1.703 122.079 120.400 -0.040 0.000 2.447 315 K HA 0.026 4.346 4.320 -0.000 0.000 0.281 315 K C 0.936 177.518 176.600 -0.030 0.000 1.031 315 K CA 0.931 57.200 56.287 -0.031 0.000 1.019 315 K CB 0.506 32.989 32.500 -0.028 0.000 0.918 315 K HN 0.260 nan 8.250 nan 0.000 0.476 316 G N 3.811 112.596 108.800 -0.024 0.000 2.168 316 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.257 316 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.257 316 G C 0.180 175.064 174.900 -0.027 0.000 0.997 316 G CA 0.487 45.573 45.100 -0.022 0.000 0.708 316 G HN 0.558 nan 8.290 nan 0.000 0.520 317 L N 1.665 122.868 121.223 -0.034 0.000 2.397 317 L HA 0.433 4.773 4.340 -0.000 0.000 0.271 317 L C -0.727 176.123 176.870 -0.033 0.000 1.148 317 L CA -1.740 53.075 54.840 -0.042 0.000 0.825 317 L CB 0.511 42.534 42.059 -0.060 0.000 1.117 317 L HN 0.085 nan 8.230 nan 0.000 0.456 318 P HA 0.208 nan 4.420 nan 0.000 0.279 318 P C -0.817 176.473 177.300 -0.016 0.000 1.252 318 P CA -0.558 62.530 63.100 -0.020 0.000 0.811 318 P CB 1.192 32.882 31.700 -0.017 0.000 1.035 319 S N 0.177 115.876 115.700 -0.003 0.000 2.576 319 S HA 0.210 4.680 4.470 -0.000 0.000 0.276 319 S C 1.421 176.031 174.600 0.017 0.000 1.339 319 S CA 0.152 58.358 58.200 0.009 0.000 1.039 319 S CB 0.575 63.784 63.200 0.014 0.000 0.902 319 S HN 0.754 nan 8.310 nan 0.000 0.516 320 T N -0.211 114.366 114.554 0.039 0.000 3.286 320 T HA 0.179 4.529 4.350 -0.000 0.000 0.237 320 T C 0.123 174.869 174.700 0.077 0.000 0.969 320 T CA -0.112 62.022 62.100 0.057 0.000 1.298 320 T CB -0.480 68.432 68.868 0.072 0.000 1.053 320 T HN 0.502 nan 8.240 nan 0.000 0.402 321 Y N 2.943 123.243 120.300 -0.001 0.000 2.323 321 Y HA 0.634 5.184 4.550 -0.000 0.000 0.331 321 Y C -0.672 175.227 175.900 -0.002 0.000 1.092 321 Y CA -1.178 56.922 58.100 -0.001 0.000 1.150 321 Y CB 0.826 39.283 38.460 -0.005 0.000 1.200 321 Y HN 0.307 nan 8.280 nan 0.000 0.472 322 N N 4.433 122.589 118.700 -0.907 0.000 2.277 322 N HA 0.110 4.850 4.740 -0.000 0.000 0.286 322 N C -0.154 174.903 175.510 -0.754 0.000 1.140 322 N CA -0.741 51.969 53.050 -0.566 0.000 0.799 322 N CB 2.111 40.430 38.487 -0.280 0.000 1.596 322 N HN 0.502 nan 8.380 nan 0.000 0.473 323 K N 1.255 121.459 120.400 -0.327 0.000 2.211 323 K HA -0.122 4.198 4.320 -0.000 0.000 0.204 323 K C 0.405 176.914 176.600 -0.151 0.000 1.047 323 K CA 1.659 57.851 56.287 -0.158 0.000 0.935 323 K CB -0.209 32.280 32.500 -0.017 0.000 0.728 323 K HN 0.481 nan 8.250 nan 0.000 0.452 324 D N 0.322 120.620 120.400 -0.170 0.000 2.172 324 D HA -0.207 4.433 4.640 -0.000 0.000 0.196 324 D C 1.515 177.745 176.300 -0.116 0.000 0.999 324 D CA 1.441 55.369 54.000 -0.120 0.000 0.856 324 D CB -0.210 40.519 40.800 -0.118 0.000 0.934 324 D HN 0.222 nan 8.370 nan 0.000 0.453 325 L N 0.267 121.381 121.223 -0.180 0.000 2.447 325 L HA -0.191 4.149 4.340 -0.000 0.000 0.225 325 L C 2.282 179.136 176.870 -0.026 0.000 1.148 325 L CA 0.781 55.554 54.840 -0.112 0.000 0.808 325 L CB -0.463 41.515 42.059 -0.136 0.000 0.928 325 L HN 0.121 nan 8.230 nan 0.000 0.448 326 Q N -0.049 119.749 119.800 -0.004 0.000 2.364 326 Q HA -0.167 4.173 4.340 -0.000 0.000 0.207 326 Q C 1.715 177.738 176.000 0.038 0.000 0.970 326 Q CA 0.714 56.552 55.803 0.058 0.000 0.888 326 Q CB 0.211 28.998 28.738 0.080 0.000 0.951 326 Q HN 0.420 nan 8.270 nan 0.000 0.469 327 E N 0.827 121.022 120.200 -0.008 0.000 2.478 327 E HA -0.147 4.203 4.350 -0.000 0.000 0.198 327 E C 1.162 177.728 176.600 -0.057 0.000 1.046 327 E CA 0.858 57.236 56.400 -0.037 0.000 0.870 327 E CB 0.104 29.773 29.700 -0.053 0.000 0.818 327 E HN 0.573 nan 8.360 nan 0.000 0.527 328 D N 0.814 121.192 120.400 -0.038 0.000 2.123 328 D HA -0.164 4.476 4.640 -0.000 0.000 0.200 328 D C 1.560 177.841 176.300 -0.031 0.000 0.976 328 D CA 0.802 54.775 54.000 -0.046 0.000 0.831 328 D CB -0.310 40.456 40.800 -0.056 0.000 0.974 328 D HN 0.031 nan 8.370 nan 0.000 0.469 329 K N 0.562 120.960 120.400 -0.004 0.000 2.001 329 K HA -0.225 4.095 4.320 -0.000 0.000 0.223 329 K C 2.323 178.854 176.600 -0.115 0.000 1.055 329 K CA 1.887 58.173 56.287 -0.002 0.000 0.965 329 K CB -0.263 32.304 32.500 0.112 0.000 0.730 329 K HN 0.233 nan 8.250 nan 0.000 0.449 330 E N 0.047 120.051 120.200 -0.328 0.000 2.070 330 E HA -0.244 4.106 4.350 -0.000 0.000 0.197 330 E C 2.079 178.549 176.600 -0.217 0.000 1.004 330 E CA 1.204 57.307 56.400 -0.494 0.000 0.805 330 E CB -0.137 29.113 29.700 -0.749 0.000 0.744 330 E HN 0.393 nan 8.360 nan 0.000 0.451 331 A N 0.670 123.404 122.820 -0.144 0.000 1.883 331 A HA -0.194 4.126 4.320 -0.000 0.000 0.217 331 A C 2.485 180.086 177.584 0.029 0.000 1.186 331 A CA 1.626 53.625 52.037 -0.063 0.000 0.624 331 A CB -0.861 18.104 19.000 -0.058 0.000 0.822 331 A HN 0.162 nan 8.150 nan 0.000 0.444 332 V N 0.312 120.271 119.914 0.074 0.000 2.255 332 V HA -0.316 3.804 4.120 -0.000 0.000 0.247 332 V C 2.464 178.712 176.094 0.256 0.000 1.051 332 V CA 2.280 64.709 62.300 0.214 0.000 1.018 332 V CB -0.743 31.192 31.823 0.186 0.000 0.641 332 V HN 0.594 nan 8.190 nan 0.000 0.445 333 I N 0.224 120.887 120.570 0.154 0.000 2.179 333 I HA -0.242 3.928 4.170 -0.000 0.000 0.242 333 I C 2.444 178.652 176.117 0.152 0.000 1.088 333 I CA 1.983 63.394 61.300 0.185 0.000 1.357 333 I CB -0.600 37.398 38.000 -0.003 0.000 1.051 333 I HN 0.391 nan 8.210 nan 0.000 0.409 334 D N 1.278 121.717 120.400 0.066 0.000 2.103 334 D HA -0.170 4.470 4.640 -0.000 0.000 0.190 334 D C 2.149 178.498 176.300 0.083 0.000 0.997 334 D CA 1.630 55.658 54.000 0.047 0.000 0.833 334 D CB -0.185 40.610 40.800 -0.007 0.000 0.961 334 D HN 0.101 nan 8.370 nan 0.000 0.447 335 V N 0.015 119.992 119.914 0.105 0.000 2.469 335 V HA -0.193 3.927 4.120 -0.000 0.000 0.251 335 V C 2.698 178.900 176.094 0.179 0.000 1.064 335 V CA 1.200 63.561 62.300 0.102 0.000 1.066 335 V CB -0.270 31.593 31.823 0.066 0.000 0.667 335 V HN 0.144 nan 8.190 nan 0.000 0.461 336 V N 0.020 120.103 119.914 0.281 0.000 2.307 336 V HA -0.200 3.920 4.120 -0.000 0.000 0.245 336 V C 2.203 178.397 176.094 0.167 0.000 1.045 336 V CA 2.114 64.579 62.300 0.275 0.000 1.024 336 V CB -0.523 31.450 31.823 0.250 0.000 0.651 336 V HN 0.566 nan 8.190 nan 0.000 0.449 337 D N -0.600 119.887 120.400 0.145 0.000 2.224 337 D HA -0.100 4.540 4.640 -0.000 0.000 0.205 337 D C 2.207 178.546 176.300 0.066 0.000 0.965 337 D CA 1.389 55.449 54.000 0.101 0.000 0.852 337 D CB -0.146 40.711 40.800 0.095 0.000 0.947 337 D HN 0.374 nan 8.370 nan 0.000 0.494 338 T N 1.200 115.790 114.554 0.060 0.000 2.701 338 T HA -0.034 4.316 4.350 -0.000 0.000 0.263 338 T C 2.230 176.943 174.700 0.021 0.000 1.040 338 T CA 0.428 62.547 62.100 0.031 0.000 1.147 338 T CB -0.206 68.674 68.868 0.019 0.000 0.865 338 T HN 0.102 nan 8.240 nan 0.000 0.426 339 L N 0.577 121.821 121.223 0.036 0.000 2.012 339 L HA -0.153 4.186 4.340 -0.000 0.000 0.210 339 L C 2.952 179.839 176.870 0.029 0.000 1.073 339 L CA 1.332 56.190 54.840 0.030 0.000 0.748 339 L CB -0.967 41.127 42.059 0.059 0.000 0.891 339 L HN 0.301 nan 8.230 nan 0.000 0.431 340 T N -0.402 114.184 114.554 0.054 0.000 2.720 340 T HA -0.218 4.132 4.350 -0.000 0.000 0.268 340 T C 1.818 176.466 174.700 -0.087 0.000 1.037 340 T CA 1.593 63.713 62.100 0.032 0.000 1.144 340 T CB -0.108 68.807 68.868 0.079 0.000 0.864 340 T HN 0.488 nan 8.240 nan 0.000 0.444 341 A N 0.314 123.110 122.820 -0.041 0.000 1.898 341 A HA 0.073 4.393 4.320 -0.000 0.000 0.214 341 A C 2.533 180.083 177.584 -0.057 0.000 1.183 341 A CA 0.870 52.875 52.037 -0.052 0.000 0.622 341 A CB -0.744 18.252 19.000 -0.008 0.000 0.824 341 A HN 0.345 nan 8.150 nan 0.000 0.444 342 V N 0.269 120.159 119.914 -0.039 0.000 2.343 342 V HA -0.267 3.853 4.120 -0.000 0.000 0.247 342 V C 2.573 178.628 176.094 -0.065 0.000 1.051 342 V CA 2.029 64.305 62.300 -0.041 0.000 1.036 342 V CB -0.747 31.058 31.823 -0.030 0.000 0.654 342 V HN 0.560 nan 8.190 nan 0.000 0.451 343 L N -0.803 120.378 121.223 -0.070 0.000 2.046 343 L HA -0.232 4.108 4.340 -0.000 0.000 0.208 343 L C 2.681 179.482 176.870 -0.115 0.000 1.077 343 L CA 1.639 56.437 54.840 -0.070 0.000 0.747 343 L CB -0.534 41.514 42.059 -0.019 0.000 0.896 343 L HN 0.360 nan 8.230 nan 0.000 0.432 344 Q N -0.758 118.926 119.800 -0.193 0.000 2.050 344 Q HA -0.197 4.143 4.340 -0.000 0.000 0.202 344 Q C 2.345 178.275 176.000 -0.117 0.000 0.980 344 Q CA 1.618 57.306 55.803 -0.190 0.000 0.840 344 Q CB -0.202 28.379 28.738 -0.261 0.000 0.898 344 Q HN 0.323 nan 8.270 nan 0.000 0.424 345 V N 0.839 120.701 119.914 -0.086 0.000 2.407 345 V HA -0.272 3.847 4.120 -0.000 0.000 0.248 345 V C 2.185 178.119 176.094 -0.265 0.000 1.055 345 V CA 1.718 63.959 62.300 -0.099 0.000 1.049 345 V CB -0.850 30.983 31.823 0.017 0.000 0.662 345 V HN 0.403 nan 8.190 nan 0.000 0.455 346 A N -0.472 122.242 122.820 -0.176 0.000 1.933 346 A HA -0.202 4.117 4.320 -0.000 0.000 0.218 346 A C 2.389 179.851 177.584 -0.204 0.000 1.175 346 A CA 2.382 54.311 52.037 -0.179 0.000 0.628 346 A CB -0.779 18.149 19.000 -0.120 0.000 0.814 346 A HN 0.502 nan 8.150 nan 0.000 0.444 347 T N -0.387 114.062 114.554 -0.175 0.000 2.812 347 T HA 0.018 4.368 4.350 -0.000 0.000 0.264 347 T C 1.999 176.572 174.700 -0.212 0.000 1.042 347 T CA 1.236 63.253 62.100 -0.139 0.000 1.140 347 T CB -0.570 68.258 68.868 -0.068 0.000 0.870 347 T HN 0.565 nan 8.240 nan 0.000 0.445 348 G N 1.382 109.966 108.800 -0.359 0.000 2.459 348 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.217 348 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.217 348 G C 1.700 176.144 174.900 -0.760 0.000 1.183 348 G CA 1.019 45.764 45.100 -0.592 0.000 0.776 348 G HN 0.411 nan 8.290 nan 0.000 0.552 349 V N 1.584 120.953 119.914 -0.907 0.000 2.233 349 V HA -0.192 3.928 4.120 -0.000 0.000 0.247 349 V C 2.831 178.823 176.094 -0.171 0.000 1.050 349 V CA 1.511 63.525 62.300 -0.476 0.000 1.010 349 V CB -0.411 31.224 31.823 -0.313 0.000 0.637 349 V HN 0.285 nan 8.190 nan 0.000 0.444 350 I N 0.258 120.745 120.570 -0.138 0.000 2.208 350 I HA -0.215 3.954 4.170 -0.000 0.000 0.245 350 I C 2.736 178.857 176.117 0.007 0.000 1.097 350 I CA 2.164 63.446 61.300 -0.029 0.000 1.363 350 I CB -1.441 36.530 38.000 -0.048 0.000 1.051 350 I HN 0.440 nan 8.210 nan 0.000 0.413 351 S N 0.544 116.223 115.700 -0.035 0.000 2.368 351 S HA -0.158 4.312 4.470 -0.000 0.000 0.225 351 S C 1.964 176.596 174.600 0.053 0.000 1.030 351 S CA 2.263 60.470 58.200 0.012 0.000 0.999 351 S CB -0.302 62.899 63.200 0.001 0.000 0.844 351 S HN 0.645 nan 8.310 nan 0.000 0.459 352 T N 0.179 114.768 114.554 0.058 0.000 3.040 352 T HA 0.341 4.691 4.350 -0.000 0.000 0.250 352 T C 0.531 175.300 174.700 0.114 0.000 1.058 352 T CA -0.137 62.030 62.100 0.112 0.000 0.988 352 T CB -0.673 68.313 68.868 0.196 0.000 0.993 352 T HN 0.395 nan 8.240 nan 0.000 0.519 353 L N 0.559 121.846 121.223 0.106 0.000 2.490 353 L HA 0.486 4.826 4.340 -0.000 0.000 0.274 353 L C -0.019 176.917 176.870 0.109 0.000 1.201 353 L CA -0.175 54.735 54.840 0.117 0.000 0.869 353 L CB 0.164 42.307 42.059 0.141 0.000 1.123 353 L HN -0.088 nan 8.230 nan 0.000 0.484 354 Q N 4.378 124.226 119.800 0.081 0.000 2.347 354 Q HA 0.493 4.833 4.340 -0.000 0.000 0.262 354 Q C -0.287 175.719 176.000 0.009 0.000 0.980 354 Q CA -0.520 55.312 55.803 0.048 0.000 0.867 354 Q CB 1.863 30.625 28.738 0.040 0.000 1.242 354 Q HN 0.869 nan 8.270 nan 0.000 0.453 355 I N -1.015 119.528 120.570 -0.045 0.000 3.244 355 I HA 0.528 4.698 4.170 -0.000 0.000 0.314 355 I C 0.213 176.247 176.117 -0.139 0.000 1.043 355 I CA -0.662 60.538 61.300 -0.167 0.000 1.099 355 I CB 1.445 39.198 38.000 -0.411 0.000 1.449 355 I HN 0.357 nan 8.210 nan 0.000 0.625 356 S N 0.928 116.520 115.700 -0.181 0.000 2.542 356 S HA 0.361 4.831 4.470 -0.000 0.000 0.245 356 S C 0.416 174.913 174.600 -0.172 0.000 1.325 356 S CA -0.826 57.303 58.200 -0.117 0.000 1.176 356 S CB 0.690 63.865 63.200 -0.041 0.000 1.045 356 S HN 0.742 nan 8.310 nan 0.000 0.481 357 K N 2.477 122.779 120.400 -0.162 0.000 2.147 357 K HA -0.139 4.181 4.320 -0.000 0.000 0.205 357 K C 1.869 178.397 176.600 -0.121 0.000 1.049 357 K CA 1.552 57.739 56.287 -0.167 0.000 0.936 357 K CB -0.027 32.407 32.500 -0.109 0.000 0.722 357 K HN 0.798 nan 8.250 nan 0.000 0.446 358 E N 1.129 121.283 120.200 -0.075 0.000 2.070 358 E HA -0.234 4.116 4.350 -0.000 0.000 0.197 358 E C 1.511 178.087 176.600 -0.039 0.000 1.004 358 E CA 1.453 57.826 56.400 -0.044 0.000 0.805 358 E CB 0.122 29.808 29.700 -0.023 0.000 0.744 358 E HN 0.277 nan 8.360 nan 0.000 0.451 359 N N -0.089 118.594 118.700 -0.028 0.000 2.290 359 N HA -0.046 4.694 4.740 -0.000 0.000 0.179 359 N C 1.868 177.370 175.510 -0.013 0.000 1.016 359 N CA 1.010 54.081 53.050 0.035 0.000 0.871 359 N CB -0.224 38.340 38.487 0.128 0.000 0.987 359 N HN 0.269 nan 8.380 nan 0.000 0.431 360 M N 0.809 120.277 119.600 -0.221 0.000 2.267 360 M HA -0.113 4.367 4.480 -0.000 0.000 0.263 360 M C 1.973 178.058 176.300 -0.359 0.000 1.063 360 M CA 1.198 56.161 55.300 -0.561 0.000 1.090 360 M CB -0.014 32.178 32.600 -0.680 0.000 1.392 360 M HN 0.076 nan 8.290 nan 0.000 0.422 361 E N 0.952 121.021 120.200 -0.218 0.000 2.028 361 E HA -0.143 4.207 4.350 -0.000 0.000 0.190 361 E C 1.793 178.306 176.600 -0.145 0.000 0.984 361 E CA 1.340 57.637 56.400 -0.173 0.000 0.800 361 E CB 0.029 29.682 29.700 -0.078 0.000 0.758 361 E HN 0.424 nan 8.360 nan 0.000 0.448 362 K N 0.473 120.832 120.400 -0.067 0.000 2.074 362 K HA -0.138 4.182 4.320 -0.000 0.000 0.209 362 K C 2.078 178.655 176.600 -0.038 0.000 1.048 362 K CA 1.450 57.724 56.287 -0.022 0.000 0.926 362 K CB -0.260 32.243 32.500 0.005 0.000 0.713 362 K HN 0.102 nan 8.250 nan 0.000 0.444 363 A N 1.074 123.872 122.820 -0.037 0.000 2.076 363 A HA -0.096 4.224 4.320 -0.000 0.000 0.220 363 A C 0.803 178.309 177.584 -0.131 0.000 1.160 363 A CA 0.837 52.865 52.037 -0.016 0.000 0.653 363 A CB -0.590 18.492 19.000 0.136 0.000 0.801 363 A HN 0.173 nan 8.150 nan 0.000 0.455 364 L N 1.692 122.745 121.223 -0.283 0.000 2.418 364 L HA 0.267 4.607 4.340 -0.000 0.000 0.274 364 L C 0.593 177.350 176.870 -0.187 0.000 1.135 364 L CA -0.013 54.492 54.840 -0.559 0.000 0.870 364 L CB 0.658 41.893 42.059 -1.373 0.000 1.154 364 L HN 0.377 nan 8.230 nan 0.000 0.462 365 T N -0.239 114.318 114.554 0.004 0.000 2.907 365 T HA 0.433 4.783 4.350 -0.000 0.000 0.292 365 T C -2.129 172.755 174.700 0.307 0.000 1.043 365 T CA -2.082 60.140 62.100 0.204 0.000 1.003 365 T CB 2.166 71.088 68.868 0.090 0.000 1.084 365 T HN 0.154 nan 8.240 nan 0.000 0.483 366 P HA -0.131 nan 4.420 nan 0.000 0.216 366 P C 1.146 178.559 177.300 0.188 0.000 1.154 366 P CA 1.182 64.419 63.100 0.228 0.000 0.865 366 P CB 0.071 31.874 31.700 0.171 0.000 0.789 367 E N -1.250 119.033 120.200 0.139 0.000 2.160 367 E HA -0.140 4.210 4.350 -0.000 0.000 0.195 367 E C 1.775 178.430 176.600 0.091 0.000 0.991 367 E CA 1.134 57.596 56.400 0.103 0.000 0.810 367 E CB -0.975 28.770 29.700 0.075 0.000 0.742 367 E HN 0.325 nan 8.360 nan 0.000 0.466 368 M N -0.374 119.289 119.600 0.105 0.000 2.686 368 M HA -0.001 4.479 4.480 -0.000 0.000 0.246 368 M C 0.698 177.053 176.300 0.091 0.000 1.096 368 M CA 0.722 56.073 55.300 0.086 0.000 1.076 368 M CB 0.189 32.832 32.600 0.071 0.000 1.504 368 M HN 0.062 nan 8.290 nan 0.000 0.524 369 L N -1.488 119.781 121.223 0.077 0.000 2.808 369 L HA 0.286 4.626 4.340 -0.000 0.000 0.246 369 L C 2.244 179.068 176.870 -0.077 0.000 1.153 369 L CA -0.324 54.501 54.840 -0.024 0.000 0.956 369 L CB -0.267 41.712 42.059 -0.133 0.000 1.270 369 L HN 0.161 nan 8.230 nan 0.000 0.528 370 A N 0.121 122.941 122.820 -0.000 0.000 1.972 370 A HA -0.163 4.157 4.320 -0.000 0.000 0.219 370 A C 2.310 179.875 177.584 -0.031 0.000 1.169 370 A CA 2.244 54.281 52.037 -0.001 0.000 0.635 370 A CB -0.545 18.465 19.000 0.018 0.000 0.810 370 A HN 0.312 nan 8.150 nan 0.000 0.446 371 T N 0.322 114.871 114.554 -0.010 0.000 2.708 371 T HA -0.122 4.228 4.350 -0.000 0.000 0.266 371 T C 1.503 176.211 174.700 0.013 0.000 1.037 371 T CA 1.625 63.736 62.100 0.017 0.000 1.146 371 T CB -0.424 68.487 68.868 0.071 0.000 0.865 371 T HN 0.504 nan 8.240 nan 0.000 0.435 372 D N 0.999 121.387 120.400 -0.020 0.000 2.144 372 D HA -0.051 4.589 4.640 -0.000 0.000 0.199 372 D C 1.980 178.240 176.300 -0.066 0.000 0.984 372 D CA 0.501 54.468 54.000 -0.055 0.000 0.834 372 D CB -0.525 40.206 40.800 -0.115 0.000 0.955 372 D HN 0.169 nan 8.370 nan 0.000 0.465 373 L N 0.837 121.991 121.223 -0.114 0.000 2.046 373 L HA -0.082 4.258 4.340 -0.000 0.000 0.208 373 L C 2.088 178.990 176.870 0.053 0.000 1.077 373 L CA 1.695 56.499 54.840 -0.059 0.000 0.747 373 L CB -0.794 41.269 42.059 0.007 0.000 0.896 373 L HN -0.005 nan 8.230 nan 0.000 0.432 374 A N -0.798 122.039 122.820 0.029 0.000 1.898 374 A HA -0.135 4.185 4.320 -0.000 0.000 0.216 374 A C 2.261 179.885 177.584 0.066 0.000 1.181 374 A CA 1.726 53.782 52.037 0.032 0.000 0.620 374 A CB -0.817 18.158 19.000 -0.040 0.000 0.819 374 A HN 0.480 nan 8.150 nan 0.000 0.442 375 L N -1.897 119.370 121.223 0.073 0.000 2.042 375 L HA -0.233 4.107 4.340 -0.000 0.000 0.210 375 L C 2.559 179.442 176.870 0.021 0.000 1.076 375 L CA 1.901 56.778 54.840 0.062 0.000 0.749 375 L CB -0.717 41.360 42.059 0.031 0.000 0.893 375 L HN 0.627 nan 8.230 nan 0.000 0.432 376 Y N 0.772 121.011 120.300 -0.101 0.000 2.139 376 Y HA -0.294 4.256 4.550 -0.000 0.000 0.282 376 Y C 2.238 178.037 175.900 -0.170 0.000 1.179 376 Y CA 1.682 59.696 58.100 -0.145 0.000 1.161 376 Y CB -0.179 38.170 38.460 -0.185 0.000 0.970 376 Y HN 0.049 nan 8.280 nan 0.000 0.511 377 L N -0.997 120.141 121.223 -0.142 0.000 2.313 377 L HA -0.119 4.221 4.340 -0.000 0.000 0.214 377 L C 2.107 178.882 176.870 -0.159 0.000 1.119 377 L CA 0.496 55.205 54.840 -0.218 0.000 0.809 377 L CB -0.453 41.552 42.059 -0.091 0.000 0.933 377 L HN 0.176 nan 8.230 nan 0.000 0.449 378 V N -0.264 119.597 119.914 -0.088 0.000 2.488 378 V HA -0.170 3.950 4.120 -0.000 0.000 0.246 378 V C 2.464 178.501 176.094 -0.095 0.000 1.046 378 V CA 1.346 63.624 62.300 -0.036 0.000 1.053 378 V CB -0.588 31.259 31.823 0.039 0.000 0.679 378 V HN 0.425 nan 8.190 nan 0.000 0.458 379 R N 0.737 121.142 120.500 -0.159 0.000 2.148 379 R HA -0.066 4.274 4.340 -0.000 0.000 0.227 379 R C 1.732 177.905 176.300 -0.213 0.000 1.103 379 R CA 0.926 56.919 56.100 -0.178 0.000 0.983 379 R CB -0.244 29.929 30.300 -0.212 0.000 0.874 379 R HN 0.483 nan 8.270 nan 0.000 0.451 380 K N -0.266 119.959 120.400 -0.291 0.000 2.469 380 K HA 0.157 4.477 4.320 -0.000 0.000 0.201 380 K C 0.766 177.275 176.600 -0.152 0.000 1.028 380 K CA 0.461 56.593 56.287 -0.258 0.000 1.170 380 K CB 1.074 33.346 32.500 -0.380 0.000 0.874 380 K HN 0.373 nan 8.250 nan 0.000 0.507 381 G N 1.749 110.481 108.800 -0.113 0.000 2.308 381 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.221 381 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.221 381 G C 0.213 175.090 174.900 -0.038 0.000 1.032 381 G CA -0.073 44.989 45.100 -0.064 0.000 0.623 381 G HN 0.337 nan 8.290 nan 0.000 0.506 382 M N 4.018 123.591 119.600 -0.046 0.000 2.251 382 M HA 0.337 4.817 4.480 -0.000 0.000 0.343 382 M C -1.404 174.908 176.300 0.021 0.000 1.245 382 M CA -0.905 54.388 55.300 -0.013 0.000 1.061 382 M CB 0.530 33.120 32.600 -0.017 0.000 1.723 382 M HN 0.205 nan 8.290 nan 0.000 0.449 383 P HA -0.059 nan 4.420 nan 0.000 0.273 383 P C 0.059 177.438 177.300 0.132 0.000 1.250 383 P CA -0.066 63.084 63.100 0.083 0.000 0.793 383 P CB 0.309 32.050 31.700 0.068 0.000 1.011 384 F N 1.825 121.790 119.950 0.026 0.000 2.075 384 F HA -0.170 4.357 4.527 0.000 0.000 0.297 384 F C 2.530 178.381 175.800 0.086 0.000 1.113 384 F CA 1.691 59.722 58.000 0.052 0.000 1.218 384 F CB -0.657 38.371 39.000 0.047 0.000 0.984 384 F HN 0.139 nan 8.300 nan 0.000 0.472 385 R N 0.361 120.812 120.500 -0.081 0.000 2.080 385 R HA -0.180 4.159 4.340 -0.000 0.000 0.236 385 R C 2.381 178.608 176.300 -0.122 0.000 1.137 385 R CA 2.193 58.182 56.100 -0.185 0.000 0.943 385 R CB -0.708 29.571 30.300 -0.036 0.000 0.846 385 R HN 0.451 nan 8.270 nan 0.000 0.431 386 Q N -1.006 118.769 119.800 -0.041 0.000 2.084 386 Q HA -0.099 4.241 4.340 -0.000 0.000 0.202 386 Q C 2.074 178.071 176.000 -0.004 0.000 0.978 386 Q CA 1.621 57.419 55.803 -0.009 0.000 0.844 386 Q CB -0.164 28.582 28.738 0.013 0.000 0.898 386 Q HN 0.419 nan 8.270 nan 0.000 0.426 387 A N 0.555 123.362 122.820 -0.021 0.000 1.969 387 A HA -0.217 4.103 4.320 -0.000 0.000 0.218 387 A C 1.914 179.471 177.584 -0.045 0.000 1.169 387 A CA 1.348 53.379 52.037 -0.010 0.000 0.635 387 A CB -0.638 18.365 19.000 0.005 0.000 0.810 387 A HN 0.404 nan 8.150 nan 0.000 0.445 388 H N 0.297 119.216 119.070 -0.252 0.000 2.357 388 H HA -0.084 4.472 4.556 -0.000 0.000 0.301 388 H C 1.970 177.225 175.328 -0.122 0.000 1.082 388 H CA 2.043 57.928 56.048 -0.272 0.000 1.342 388 H CB -0.223 29.219 29.762 -0.532 0.000 1.389 388 H HN 0.434 nan 8.280 nan 0.000 0.511 389 T N 0.946 115.548 114.554 0.081 0.000 2.746 389 T HA -0.080 4.270 4.350 -0.000 0.000 0.267 389 T C 2.263 177.000 174.700 0.062 0.000 1.039 389 T CA 1.287 63.431 62.100 0.073 0.000 1.142 389 T CB -0.565 68.325 68.868 0.037 0.000 0.866 389 T HN 0.462 nan 8.240 nan 0.000 0.444 390 A N 1.334 124.193 122.820 0.065 0.000 1.851 390 A HA -0.153 4.167 4.320 -0.000 0.000 0.216 390 A C 2.589 180.248 177.584 0.125 0.000 1.195 390 A CA 2.286 54.391 52.037 0.115 0.000 0.622 390 A CB -1.304 17.790 19.000 0.156 0.000 0.831 390 A HN 0.448 nan 8.150 nan 0.000 0.444 391 S N -0.807 114.945 115.700 0.086 0.000 2.400 391 S HA -0.047 4.423 4.470 -0.000 0.000 0.232 391 S C 1.958 176.583 174.600 0.041 0.000 1.025 391 S CA 1.692 59.936 58.200 0.072 0.000 0.993 391 S CB -0.722 62.461 63.200 -0.027 0.000 0.808 391 S HN 0.759 nan 8.310 nan 0.000 0.478 392 G N 1.248 110.058 108.800 0.017 0.000 2.453 392 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.215 392 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.215 392 G C 1.477 176.427 174.900 0.083 0.000 1.201 392 G CA 0.865 45.988 45.100 0.039 0.000 0.784 392 G HN 0.544 nan 8.290 nan 0.000 0.545 393 K N 0.688 121.142 120.400 0.090 0.000 2.074 393 K HA -0.094 4.226 4.320 -0.000 0.000 0.209 393 K C 2.933 179.595 176.600 0.104 0.000 1.048 393 K CA 1.134 57.494 56.287 0.122 0.000 0.926 393 K CB -0.292 32.261 32.500 0.088 0.000 0.713 393 K HN 0.286 nan 8.250 nan 0.000 0.444 394 A N 1.025 123.887 122.820 0.070 0.000 1.865 394 A HA -0.154 4.165 4.320 -0.000 0.000 0.217 394 A C 2.370 179.985 177.584 0.051 0.000 1.191 394 A CA 1.810 53.868 52.037 0.034 0.000 0.623 394 A CB -0.791 18.246 19.000 0.062 0.000 0.826 394 A HN 0.100 nan 8.150 nan 0.000 0.444 395 V N -0.178 119.787 119.914 0.085 0.000 2.759 395 V HA -0.244 3.876 4.120 -0.000 0.000 0.256 395 V C 2.345 178.505 176.094 0.110 0.000 1.080 395 V CA 2.018 64.370 62.300 0.087 0.000 1.101 395 V CB -1.167 30.707 31.823 0.084 0.000 0.698 395 V HN 0.798 nan 8.190 nan 0.000 0.477 396 H N -0.162 118.913 119.070 0.008 0.000 2.333 396 H HA -0.066 4.490 4.556 -0.000 0.000 0.302 396 H C 2.337 177.661 175.328 -0.008 0.000 1.075 396 H CA 1.653 57.703 56.048 0.004 0.000 1.348 396 H CB 0.258 30.024 29.762 0.006 0.000 1.393 396 H HN 0.398 nan 8.280 nan 0.000 0.509 397 L N 0.567 121.720 121.223 -0.117 0.000 2.201 397 L HA -0.057 4.283 4.340 -0.000 0.000 0.212 397 L C 2.629 179.422 176.870 -0.130 0.000 1.105 397 L CA 1.096 55.820 54.840 -0.193 0.000 0.775 397 L CB -0.411 41.573 42.059 -0.125 0.000 0.913 397 L HN 0.335 nan 8.230 nan 0.000 0.440 398 A N -0.385 122.391 122.820 -0.073 0.000 1.972 398 A HA -0.230 4.090 4.320 -0.000 0.000 0.219 398 A C 2.060 179.614 177.584 -0.051 0.000 1.169 398 A CA 1.691 53.692 52.037 -0.060 0.000 0.635 398 A CB -0.394 18.589 19.000 -0.028 0.000 0.810 398 A HN 0.572 nan 8.150 nan 0.000 0.446 399 E N -0.814 119.361 120.200 -0.041 0.000 2.047 399 E HA -0.114 4.236 4.350 -0.000 0.000 0.191 399 E C 2.120 178.684 176.600 -0.061 0.000 0.987 399 E CA 1.536 57.921 56.400 -0.026 0.000 0.799 399 E CB -0.267 29.448 29.700 0.024 0.000 0.752 399 E HN 0.612 nan 8.360 nan 0.000 0.449 400 T N 1.580 116.060 114.554 -0.124 0.000 2.635 400 T HA -0.191 4.159 4.350 -0.000 0.000 0.267 400 T C 1.596 176.245 174.700 -0.085 0.000 1.040 400 T CA 1.424 63.448 62.100 -0.125 0.000 1.156 400 T CB -0.202 68.553 68.868 -0.188 0.000 0.863 400 T HN 0.084 nan 8.240 nan 0.000 0.430 401 K N 0.752 121.101 120.400 -0.086 0.000 2.555 401 K HA 0.191 4.511 4.320 -0.000 0.000 0.193 401 K C 1.269 177.836 176.600 -0.055 0.000 1.032 401 K CA 0.305 56.550 56.287 -0.069 0.000 1.004 401 K CB -0.189 32.265 32.500 -0.077 0.000 0.804 401 K HN 0.460 nan 8.250 nan 0.000 0.496 402 G N 2.721 111.491 108.800 -0.049 0.000 2.323 402 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.292 402 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.292 402 G C 0.033 174.913 174.900 -0.034 0.000 1.040 402 G CA 0.783 45.863 45.100 -0.034 0.000 0.942 402 G HN 0.501 nan 8.290 nan 0.000 0.506 403 I N -3.771 116.774 120.570 -0.042 0.000 2.934 403 I HA 0.896 5.066 4.170 -0.000 0.000 0.306 403 I C 0.375 176.466 176.117 -0.042 0.000 1.110 403 I CA -1.368 59.904 61.300 -0.046 0.000 1.019 403 I CB 1.932 39.892 38.000 -0.066 0.000 1.227 403 I HN 0.409 nan 8.210 nan 0.000 0.434 404 A N 2.738 125.533 122.820 -0.042 0.000 2.445 404 A HA 0.387 4.707 4.320 -0.000 0.000 0.242 404 A C 0.880 178.425 177.584 -0.066 0.000 1.075 404 A CA -0.271 51.749 52.037 -0.028 0.000 0.777 404 A CB -0.007 18.982 19.000 -0.018 0.000 1.013 404 A HN 0.722 nan 8.150 nan 0.000 0.493 405 I N 1.848 122.410 120.570 -0.013 0.000 2.248 405 I HA -0.321 3.849 4.170 -0.000 0.000 0.248 405 I C 2.331 178.253 176.117 -0.324 0.000 1.107 405 I CA 1.910 63.194 61.300 -0.027 0.000 1.373 405 I CB -0.847 37.267 38.000 0.190 0.000 1.055 405 I HN 0.847 nan 8.210 nan 0.000 0.418 406 N N 0.988 119.425 118.700 -0.438 0.000 2.513 406 N HA -0.214 4.526 4.740 -0.000 0.000 0.187 406 N C 0.849 175.934 175.510 -0.708 0.000 1.056 406 N CA 1.407 53.807 53.050 -1.084 0.000 0.907 406 N CB -1.019 37.198 38.487 -0.452 0.000 0.954 406 N HN 0.537 nan 8.380 nan 0.000 0.445 407 N N -0.290 118.169 118.700 -0.400 0.000 2.235 407 N HA 0.260 5.000 4.740 -0.000 0.000 0.209 407 N C -0.106 175.258 175.510 -0.242 0.000 1.122 407 N CA -0.287 52.598 53.050 -0.276 0.000 0.845 407 N CB 0.548 38.930 38.487 -0.175 0.000 1.004 407 N HN 0.115 nan 8.380 nan 0.000 0.499 408 L N 0.395 121.447 121.223 -0.286 0.000 2.473 408 L HA 0.114 4.454 4.340 -0.000 0.000 0.265 408 L C 0.720 177.462 176.870 -0.214 0.000 1.243 408 L CA 0.239 54.943 54.840 -0.227 0.000 0.822 408 L CB 0.365 42.282 42.059 -0.238 0.000 1.101 408 L HN 0.097 nan 8.230 nan 0.000 0.507 409 T N 0.992 115.440 114.554 -0.177 0.000 2.928 409 T HA 0.151 4.501 4.350 -0.000 0.000 0.284 409 T C 0.820 175.428 174.700 -0.154 0.000 1.008 409 T CA -0.611 61.403 62.100 -0.144 0.000 1.057 409 T CB 1.507 70.310 68.868 -0.109 0.000 1.018 409 T HN 0.429 nan 8.240 nan 0.000 0.493 410 L N 1.982 123.143 121.223 -0.103 0.000 2.187 410 L HA -0.020 4.320 4.340 -0.000 0.000 0.213 410 L C 2.103 178.926 176.870 -0.078 0.000 1.100 410 L CA 1.825 56.623 54.840 -0.069 0.000 0.765 410 L CB -0.658 41.395 42.059 -0.010 0.000 0.904 410 L HN 0.822 nan 8.230 nan 0.000 0.437 411 E N -1.038 119.114 120.200 -0.079 0.000 2.060 411 E HA -0.176 4.174 4.350 -0.000 0.000 0.189 411 E C 1.652 178.189 176.600 -0.105 0.000 0.974 411 E CA 0.903 57.263 56.400 -0.068 0.000 0.808 411 E CB 0.002 29.671 29.700 -0.052 0.000 0.768 411 E HN 0.508 nan 8.360 nan 0.000 0.453 412 D N 1.044 121.365 120.400 -0.131 0.000 2.116 412 D HA -0.211 4.429 4.640 -0.000 0.000 0.193 412 D C 2.177 178.340 176.300 -0.227 0.000 0.998 412 D CA 1.115 55.023 54.000 -0.154 0.000 0.836 412 D CB -0.290 40.413 40.800 -0.162 0.000 0.951 412 D HN 0.278 nan 8.370 nan 0.000 0.449 413 L N 0.234 121.246 121.223 -0.351 0.000 2.046 413 L HA -0.172 4.168 4.340 -0.000 0.000 0.208 413 L C 2.429 179.026 176.870 -0.456 0.000 1.077 413 L CA 1.007 55.420 54.840 -0.711 0.000 0.747 413 L CB -0.334 41.062 42.059 -1.104 0.000 0.896 413 L HN -0.036 nan 8.230 nan 0.000 0.432 414 K N 0.402 120.696 120.400 -0.176 0.000 2.209 414 K HA -0.149 4.171 4.320 -0.000 0.000 0.204 414 K C 2.268 178.868 176.600 0.000 0.000 1.048 414 K CA 1.349 57.638 56.287 0.004 0.000 0.940 414 K CB -0.136 32.380 32.500 0.026 0.000 0.729 414 K HN 0.335 nan 8.250 nan 0.000 0.451 415 S N -0.186 115.483 115.700 -0.050 0.000 2.402 415 S HA -0.097 4.373 4.470 -0.000 0.000 0.229 415 S C 1.896 176.492 174.600 -0.007 0.000 1.021 415 S CA 1.028 59.212 58.200 -0.027 0.000 0.974 415 S CB -0.474 62.699 63.200 -0.046 0.000 0.800 415 S HN 0.334 nan 8.310 nan 0.000 0.484 416 I N 0.529 121.087 120.570 -0.021 0.000 2.162 416 I HA 0.073 4.243 4.170 -0.000 0.000 0.238 416 I C 1.267 177.444 176.117 0.101 0.000 1.076 416 I CA 0.758 62.078 61.300 0.032 0.000 1.353 416 I CB -0.304 37.708 38.000 0.021 0.000 1.063 416 I HN 0.320 nan 8.210 nan 0.000 0.408 417 S N -0.643 115.166 115.700 0.182 0.000 2.575 417 S HA 0.367 4.837 4.470 -0.000 0.000 0.278 417 S C -2.158 172.580 174.600 0.230 0.000 1.139 417 S CA -1.279 57.049 58.200 0.213 0.000 0.954 417 S CB 1.695 65.050 63.200 0.258 0.000 1.054 417 S HN -0.208 nan 8.310 nan 0.000 0.483 418 P HA 0.002 nan 4.420 nan 0.000 0.221 418 P C 1.167 178.551 177.300 0.141 0.000 1.145 418 P CA 0.745 63.917 63.100 0.121 0.000 0.795 418 P CB 0.088 31.832 31.700 0.074 0.000 0.775 419 L N -2.927 118.375 121.223 0.132 0.000 2.450 419 L HA -0.065 4.275 4.340 -0.000 0.000 0.224 419 L C 0.888 177.820 176.870 0.102 0.000 1.149 419 L CA 0.198 55.081 54.840 0.071 0.000 0.816 419 L CB -0.620 41.435 42.059 -0.005 0.000 0.932 419 L HN -0.067 nan 8.230 nan 0.000 0.449 420 F N -0.602 119.432 119.950 0.141 0.000 2.495 420 F HA 0.063 4.590 4.527 0.000 0.000 0.365 420 F C 0.996 176.890 175.800 0.157 0.000 1.090 420 F CA 0.343 58.465 58.000 0.202 0.000 1.235 420 F CB 0.687 39.755 39.000 0.113 0.000 1.119 420 F HN -0.144 nan 8.300 nan 0.000 0.562 421 S N 0.328 116.238 115.700 0.350 0.000 2.806 421 S HA 0.236 4.706 4.470 -0.000 0.000 0.315 421 S C 0.625 175.350 174.600 0.209 0.000 1.127 421 S CA -0.357 57.983 58.200 0.234 0.000 0.918 421 S CB 1.605 64.921 63.200 0.193 0.000 1.240 421 S HN 0.596 nan 8.310 nan 0.000 0.552 422 S N 0.422 116.203 115.700 0.135 0.000 2.562 422 S HA -0.062 4.408 4.470 -0.000 0.000 0.221 422 S C 0.832 175.484 174.600 0.086 0.000 0.975 422 S CA 0.713 58.969 58.200 0.093 0.000 0.918 422 S CB -0.582 62.653 63.200 0.059 0.000 0.772 422 S HN 0.756 nan 8.310 nan 0.000 0.531 423 D N 1.376 121.850 120.400 0.124 0.000 2.347 423 D HA 0.012 4.652 4.640 -0.000 0.000 0.215 423 D C 1.568 177.917 176.300 0.081 0.000 0.976 423 D CA 0.196 54.269 54.000 0.123 0.000 0.884 423 D CB -0.701 40.197 40.800 0.163 0.000 0.915 423 D HN 0.339 nan 8.370 nan 0.000 0.526 424 V N 1.233 121.117 119.914 -0.050 0.000 3.026 424 V HA -0.213 3.907 4.120 -0.000 0.000 0.265 424 V C 2.155 178.234 176.094 -0.025 0.000 1.121 424 V CA 1.989 64.041 62.300 -0.414 0.000 1.142 424 V CB -0.880 30.663 31.823 -0.466 0.000 0.730 424 V HN 0.429 nan 8.190 nan 0.000 0.503 425 S N -1.096 114.636 115.700 0.053 0.000 2.447 425 S HA -0.227 4.243 4.470 -0.000 0.000 0.233 425 S C 1.757 176.423 174.600 0.109 0.000 1.006 425 S CA 1.454 59.714 58.200 0.101 0.000 0.957 425 S CB -0.341 62.882 63.200 0.038 0.000 0.773 425 S HN 0.782 nan 8.310 nan 0.000 0.507 426 Q N 0.337 120.167 119.800 0.051 0.000 2.245 426 Q HA 0.084 4.423 4.340 -0.000 0.000 0.201 426 Q C 2.181 178.162 176.000 -0.032 0.000 0.955 426 Q CA 0.967 56.782 55.803 0.019 0.000 0.870 426 Q CB -0.275 28.474 28.738 0.019 0.000 0.945 426 Q HN 0.499 nan 8.270 nan 0.000 0.461 427 V N 0.568 120.428 119.914 -0.090 0.000 2.380 427 V HA -0.229 3.891 4.120 -0.000 0.000 0.251 427 V C 0.858 176.662 176.094 -0.484 0.000 1.063 427 V CA 1.494 63.609 62.300 -0.309 0.000 1.055 427 V CB -0.433 31.080 31.823 -0.517 0.000 0.657 427 V HN 0.247 nan 8.190 nan 0.000 0.455 428 F N 1.655 121.529 119.950 -0.127 0.000 2.606 428 F HA 0.384 4.911 4.527 0.000 0.000 0.347 428 F C 0.561 176.200 175.800 -0.270 0.000 1.207 428 F CA -0.126 57.765 58.000 -0.183 0.000 1.306 428 F CB -0.471 38.437 39.000 -0.154 0.000 1.657 428 F HN 0.126 nan 8.300 nan 0.000 0.606 429 N N 0.918 119.472 118.700 -0.243 0.000 2.503 429 N HA 0.123 4.863 4.740 -0.000 0.000 0.287 429 N C 0.251 175.625 175.510 -0.226 0.000 1.096 429 N CA -0.400 52.487 53.050 -0.272 0.000 0.936 429 N CB 0.689 39.111 38.487 -0.109 0.000 1.570 429 N HN 0.191 nan 8.380 nan 0.000 0.504 430 F N 1.542 121.499 119.950 0.011 0.000 2.075 430 F HA -0.155 4.372 4.527 -0.000 0.000 0.297 430 F C 2.394 178.202 175.800 0.014 0.000 1.113 430 F CA 0.950 58.954 58.000 0.007 0.000 1.218 430 F CB 0.031 39.033 39.000 0.004 0.000 0.984 430 F HN 0.286 nan 8.300 nan 0.000 0.472 431 V N 0.643 120.669 119.914 0.188 0.000 2.282 431 V HA -0.347 3.773 4.120 -0.000 0.000 0.249 431 V C 1.986 178.127 176.094 0.079 0.000 1.057 431 V CA 2.169 64.539 62.300 0.118 0.000 1.032 431 V CB -0.731 31.141 31.823 0.081 0.000 0.645 431 V HN 0.343 nan 8.190 nan 0.000 0.447 432 N N -0.133 118.591 118.700 0.041 0.000 2.104 432 N HA -0.156 4.584 4.740 -0.000 0.000 0.190 432 N C 2.125 177.641 175.510 0.010 0.000 1.024 432 N CA 1.714 54.769 53.050 0.009 0.000 0.853 432 N CB -0.679 37.795 38.487 -0.021 0.000 1.008 432 N HN 0.446 nan 8.380 nan 0.000 0.424 433 S N 0.358 116.084 115.700 0.042 0.000 2.359 433 S HA -0.142 4.328 4.470 -0.000 0.000 0.223 433 S C 2.079 176.759 174.600 0.135 0.000 1.039 433 S CA 1.916 60.160 58.200 0.074 0.000 1.042 433 S CB -0.422 62.874 63.200 0.160 0.000 0.915 433 S HN 0.259 nan 8.310 nan 0.000 0.439 434 V N -0.136 119.888 119.914 0.184 0.000 2.548 434 V HA 0.073 4.193 4.120 -0.000 0.000 0.249 434 V C 1.996 178.218 176.094 0.212 0.000 1.055 434 V CA 1.621 64.080 62.300 0.265 0.000 1.065 434 V CB -0.944 30.986 31.823 0.178 0.000 0.681 434 V HN 0.293 nan 8.190 nan 0.000 0.462 435 E N 0.609 120.861 120.200 0.086 0.000 2.515 435 E HA -0.151 4.199 4.350 -0.000 0.000 0.201 435 E C 2.133 178.700 176.600 -0.056 0.000 1.071 435 E CA 0.813 57.233 56.400 0.033 0.000 0.880 435 E CB -0.190 29.522 29.700 0.019 0.000 0.828 435 E HN 0.776 nan 8.360 nan 0.000 0.540 436 Q N -0.649 119.036 119.800 -0.191 0.000 2.230 436 Q HA -0.098 4.242 4.340 -0.000 0.000 0.202 436 Q C 0.061 175.756 176.000 -0.508 0.000 0.963 436 Q CA 0.708 56.254 55.803 -0.428 0.000 0.866 436 Q CB 0.065 28.375 28.738 -0.713 0.000 0.931 436 Q HN 0.364 nan 8.270 nan 0.000 0.452 437 Y N 0.409 120.712 120.300 0.006 0.000 2.736 437 Y HA 0.074 4.624 4.550 -0.000 0.000 0.339 437 Y C 1.335 177.235 175.900 -0.000 0.000 1.301 437 Y CA -0.103 57.998 58.100 0.001 0.000 1.676 437 Y CB -0.081 38.381 38.460 0.003 0.000 1.725 437 Y HN 0.069 nan 8.280 nan 0.000 0.466 438 T N -2.316 112.270 114.554 0.053 0.000 3.054 438 T HA 0.251 4.601 4.350 -0.000 0.000 0.259 438 T C 1.137 175.861 174.700 0.040 0.000 1.092 438 T CA 0.141 62.264 62.100 0.038 0.000 1.121 438 T CB -0.009 68.861 68.868 0.003 0.000 0.912 438 T HN 0.446 nan 8.240 nan 0.000 0.489 439 A N 3.032 125.881 122.820 0.048 0.000 2.498 439 A HA 0.466 4.786 4.320 -0.000 0.000 0.239 439 A C 0.545 178.152 177.584 0.038 0.000 1.068 439 A CA -0.584 51.475 52.037 0.037 0.000 0.766 439 A CB -0.199 18.826 19.000 0.041 0.000 1.003 439 A HN 0.415 nan 8.150 nan 0.000 0.497 440 L N 1.919 123.153 121.223 0.018 0.000 2.601 440 L HA 0.216 4.556 4.340 -0.000 0.000 0.277 440 L C 1.603 178.476 176.870 0.005 0.000 1.219 440 L CA 2.297 57.142 54.840 0.009 0.000 0.915 440 L CB -0.924 41.134 42.059 -0.001 0.000 1.160 440 L HN 1.379 nan 8.230 nan 0.000 0.494 441 G N 2.373 111.172 108.800 -0.002 0.000 2.259 441 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.217 441 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.217 441 G C 0.607 175.496 174.900 -0.018 0.000 1.001 441 G CA -0.079 45.010 45.100 -0.019 0.000 0.627 441 G HN 1.023 nan 8.290 nan 0.000 0.501 442 G N -0.617 108.194 108.800 0.018 0.000 2.634 442 G HA2 0.436 4.396 3.960 -0.000 0.000 0.255 442 G HA3 0.436 4.396 3.960 -0.000 0.000 0.255 442 G C 1.046 175.965 174.900 0.031 0.000 1.205 442 G CA 1.111 46.233 45.100 0.036 0.000 0.884 442 G HN 0.806 nan 8.290 nan 0.000 0.549 443 T N -0.491 114.075 114.554 0.021 0.000 3.160 443 T HA 0.311 4.661 4.350 -0.000 0.000 0.257 443 T C 1.394 176.153 174.700 0.098 0.000 1.147 443 T CA 0.785 62.906 62.100 0.036 0.000 1.064 443 T CB -0.744 68.120 68.868 -0.006 0.000 0.949 443 T HN 0.852 nan 8.240 nan 0.000 0.526 444 A N 1.134 124.041 122.820 0.145 0.000 2.520 444 A HA 0.254 4.574 4.320 -0.000 0.000 0.235 444 A C 1.548 179.173 177.584 0.070 0.000 1.065 444 A CA 0.067 52.172 52.037 0.114 0.000 0.764 444 A CB 0.047 19.106 19.000 0.099 0.000 1.002 444 A HN 0.556 nan 8.150 nan 0.000 0.502 445 K N 1.001 121.436 120.400 0.059 0.000 2.059 445 K HA -0.221 4.099 4.320 -0.000 0.000 0.212 445 K C 2.193 178.813 176.600 0.033 0.000 1.050 445 K CA 2.281 58.594 56.287 0.044 0.000 0.927 445 K CB -0.199 32.326 32.500 0.042 0.000 0.714 445 K HN 0.907 nan 8.250 nan 0.000 0.447 446 S N -0.549 115.168 115.700 0.030 0.000 2.402 446 S HA -0.114 4.356 4.470 -0.000 0.000 0.229 446 S C 2.104 176.715 174.600 0.018 0.000 1.021 446 S CA 1.501 59.713 58.200 0.021 0.000 0.974 446 S CB -0.221 62.989 63.200 0.017 0.000 0.800 446 S HN 0.304 nan 8.310 nan 0.000 0.484 447 S N 0.648 116.364 115.700 0.026 0.000 2.402 447 S HA -0.003 4.467 4.470 -0.000 0.000 0.229 447 S C 1.768 176.374 174.600 0.010 0.000 1.021 447 S CA 1.082 59.295 58.200 0.021 0.000 0.974 447 S CB -0.529 62.694 63.200 0.038 0.000 0.800 447 S HN 0.442 nan 8.310 nan 0.000 0.484 448 V N 1.293 121.216 119.914 0.014 0.000 2.379 448 V HA -0.093 4.027 4.120 -0.000 0.000 0.245 448 V C 2.611 178.705 176.094 -0.001 0.000 1.044 448 V CA 2.145 64.447 62.300 0.003 0.000 1.036 448 V CB -1.342 30.489 31.823 0.014 0.000 0.664 448 V HN 0.511 nan 8.190 nan 0.000 0.453 449 T N -0.373 114.186 114.554 0.007 0.000 2.759 449 T HA -0.218 4.132 4.350 -0.000 0.000 0.269 449 T C 1.958 176.657 174.700 -0.001 0.000 1.042 449 T CA 2.119 64.222 62.100 0.005 0.000 1.140 449 T CB -0.419 68.454 68.868 0.010 0.000 0.864 449 T HN 0.510 nan 8.240 nan 0.000 0.455 450 T N 2.217 116.770 114.554 -0.002 0.000 2.708 450 T HA -0.134 4.216 4.350 -0.000 0.000 0.266 450 T C 2.176 176.869 174.700 -0.013 0.000 1.037 450 T CA 1.237 63.334 62.100 -0.006 0.000 1.146 450 T CB -0.324 68.541 68.868 -0.004 0.000 0.865 450 T HN 0.494 nan 8.240 nan 0.000 0.435 451 Q N 0.179 119.968 119.800 -0.018 0.000 2.096 451 Q HA -0.042 4.298 4.340 -0.000 0.000 0.204 451 Q C 2.334 178.316 176.000 -0.030 0.000 0.982 451 Q CA 1.254 57.039 55.803 -0.030 0.000 0.850 451 Q CB -0.390 28.323 28.738 -0.041 0.000 0.901 451 Q HN 0.541 nan 8.270 nan 0.000 0.422 452 I N 0.762 121.317 120.570 -0.025 0.000 2.361 452 I HA -0.256 3.914 4.170 -0.000 0.000 0.251 452 I C 1.870 177.976 176.117 -0.017 0.000 1.133 452 I CA 1.150 62.436 61.300 -0.022 0.000 1.413 452 I CB -0.282 37.709 38.000 -0.015 0.000 1.073 452 I HN 0.258 nan 8.210 nan 0.000 0.424 453 E N 0.663 120.855 120.200 -0.014 0.000 2.051 453 E HA -0.207 4.143 4.350 -0.000 0.000 0.189 453 E C 2.165 178.756 176.600 -0.015 0.000 0.979 453 E CA 0.825 57.218 56.400 -0.011 0.000 0.803 453 E CB -0.177 29.518 29.700 -0.008 0.000 0.761 453 E HN 0.544 nan 8.360 nan 0.000 0.451 454 Q N 0.531 120.321 119.800 -0.018 0.000 2.096 454 Q HA -0.164 4.176 4.340 -0.000 0.000 0.204 454 Q C 2.301 178.287 176.000 -0.024 0.000 0.982 454 Q CA 1.014 56.805 55.803 -0.020 0.000 0.850 454 Q CB -0.043 28.681 28.738 -0.023 0.000 0.901 454 Q HN 0.216 nan 8.270 nan 0.000 0.422 455 L N 0.473 121.679 121.223 -0.028 0.000 2.046 455 L HA -0.166 4.174 4.340 -0.000 0.000 0.208 455 L C 2.329 179.185 176.870 -0.024 0.000 1.077 455 L CA 1.707 56.528 54.840 -0.031 0.000 0.747 455 L CB -0.823 41.212 42.059 -0.039 0.000 0.896 455 L HN 0.249 nan 8.230 nan 0.000 0.432 456 R N -0.593 119.895 120.500 -0.020 0.000 2.091 456 R HA -0.174 4.166 4.340 -0.000 0.000 0.238 456 R C 2.179 178.471 176.300 -0.014 0.000 1.136 456 R CA 1.072 57.163 56.100 -0.015 0.000 0.959 456 R CB -0.020 30.273 30.300 -0.012 0.000 0.856 456 R HN 0.342 nan 8.270 nan 0.000 0.437 457 E N 0.764 120.956 120.200 -0.014 0.000 2.015 457 E HA -0.164 4.186 4.350 -0.000 0.000 0.191 457 E C 2.110 178.702 176.600 -0.014 0.000 0.991 457 E CA 0.953 57.345 56.400 -0.012 0.000 0.802 457 E CB -0.276 29.417 29.700 -0.012 0.000 0.759 457 E HN 0.291 nan 8.360 nan 0.000 0.447 458 L N 0.345 121.559 121.223 -0.016 0.000 2.051 458 L HA -0.239 4.101 4.340 -0.000 0.000 0.214 458 L C 2.668 179.529 176.870 -0.015 0.000 1.076 458 L CA 1.243 56.073 54.840 -0.016 0.000 0.758 458 L CB -0.245 41.802 42.059 -0.020 0.000 0.890 458 L HN 0.212 nan 8.230 nan 0.000 0.433 459 M N -1.176 118.414 119.600 -0.016 0.000 2.229 459 M HA -0.235 4.245 4.480 -0.000 0.000 0.264 459 M C 2.277 178.568 176.300 -0.014 0.000 1.063 459 M CA 1.452 56.744 55.300 -0.015 0.000 1.114 459 M CB -0.303 32.288 32.600 -0.015 0.000 1.387 459 M HN 0.159 nan 8.290 nan 0.000 0.420 460 K N 1.165 121.558 120.400 -0.013 0.000 1.991 460 K HA -0.196 4.124 4.320 -0.000 0.000 0.212 460 K C 1.833 178.425 176.600 -0.012 0.000 1.049 460 K CA 1.693 57.973 56.287 -0.012 0.000 0.932 460 K CB 0.016 32.510 32.500 -0.010 0.000 0.717 460 K HN 0.211 nan 8.250 nan 0.000 0.441 461 K N 0.379 120.772 120.400 -0.012 0.000 2.074 461 K HA -0.215 4.105 4.320 -0.000 0.000 0.209 461 K C 2.365 178.957 176.600 -0.012 0.000 1.048 461 K CA 2.011 58.292 56.287 -0.011 0.000 0.926 461 K CB -0.121 32.373 32.500 -0.010 0.000 0.713 461 K HN 0.338 nan 8.250 nan 0.000 0.444 462 Q N 0.565 120.358 119.800 -0.012 0.000 2.083 462 Q HA -0.063 4.277 4.340 -0.000 0.000 0.198 462 Q C 2.042 178.032 176.000 -0.016 0.000 0.969 462 Q CA 0.792 56.587 55.803 -0.012 0.000 0.838 462 Q CB 0.056 28.788 28.738 -0.010 0.000 0.900 462 Q HN 0.143 nan 8.270 nan 0.000 0.436 463 K N 1.406 121.796 120.400 -0.017 0.000 2.032 463 K HA -0.185 4.135 4.320 -0.000 0.000 0.209 463 K C 1.605 178.192 176.600 -0.022 0.000 1.048 463 K CA 1.495 57.769 56.287 -0.021 0.000 0.927 463 K CB -0.208 32.281 32.500 -0.019 0.000 0.712 463 K HN 0.497 nan 8.250 nan 0.000 0.441 464 E N 0.984 121.173 120.200 -0.018 0.000 2.438 464 E HA -0.096 4.254 4.350 -0.000 0.000 0.192 464 E C 0.311 176.899 176.600 -0.019 0.000 1.110 464 E CA 0.084 56.473 56.400 -0.018 0.000 0.893 464 E CB -0.062 29.630 29.700 -0.014 0.000 0.990 464 E HN 0.045 nan 8.360 nan 0.000 0.490 465 Q N 1.316 121.104 119.800 -0.020 0.000 2.788 465 Q HA 0.511 4.851 4.340 -0.000 0.000 0.285 465 Q C -0.961 175.022 176.000 -0.028 0.000 1.063 465 Q CA -0.075 55.716 55.803 -0.021 0.000 0.958 465 Q CB 0.887 29.615 28.738 -0.016 0.000 1.211 465 Q HN 0.371 nan 8.270 nan 0.000 0.478 466 A N 0.000 122.801 122.820 -0.032 0.000 2.254 466 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 466 A CA 0.000 52.012 52.037 -0.042 0.000 0.836 466 A CB 0.000 18.972 19.000 -0.047 0.000 0.831 466 A HN 0.000 nan 8.150 nan 0.000 0.486