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 1w1m_1_B DATA FIRST_RESID 6 DATA SEQUENCE EFRPLTLPPK LSLSDFNEFI QDIIRIVGSE NVEVISXXXX XVDGSYMKPT DATA SEQUENCE HTHDPHHVMD QDYFLASAIV APRNVADVQS IVGLANKFSF PLWPISIGRN DATA SEQUENCE SGYGGAAPRV SGSVVLDMGK NMNRVLEVNV EGAYCVVEPG VTYHDLHNYL DATA SEQUENCE EANNLRDKLW LDVPDLGGGS VLGNAVERGV GYTPYGDHWM MHSGMEVVLA DATA SEQUENCE NGELLRTGMG ALPDPKRPET MGLKPEDQPW SKIAHLFPYG FGPYIDGLFS DATA SEQUENCE QSNMGIVTKI GIWLMPNPRG YQSYLITLPK DGDLKQAVDI IRPLRLGMAL DATA SEQUENCE QNVPTIRHIL LDAAVLGDKR SYSSRTEPLS DEELDKIAKQ LNLGRWNFYG DATA SEQUENCE ALYGPEPIRR VLWETIKDAF SAIPGVKFYF PEDTPENSVL RVRDKTMQGI DATA SEQUENCE PTYDELKWID WLPNGAHLFF SPIAKVSGED AMMQYAVTKK RCQEAGLDFI DATA SEQUENCE GTFTVGMREM HHIVCIVFNK KDLIQKRKVQ WLMRTLIDDC AANGWGGYRT DATA SEQUENCE HLAFMDQIME TYNWNNSSFL RFNEVLKNAV DPNGIIAPGK SGVWPSQYSH DATA SEQUENCE VTWKL 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 6 E HA 0.000 nan 4.350 nan 0.000 0.291 6 E C 0.000 176.516 176.600 -0.140 0.000 1.382 6 E CA 0.000 56.202 56.400 -0.331 0.000 0.976 6 E CB 0.000 29.571 29.700 -0.215 0.000 0.812 7 F N 0.903 120.902 119.950 0.082 0.000 2.017 7 F HA 0.310 4.837 4.527 -0.001 0.000 0.289 7 F C 1.447 177.220 175.800 -0.046 0.000 1.233 7 F CA 0.510 58.539 58.000 0.047 0.000 1.140 7 F CB -0.538 38.480 39.000 0.030 0.000 0.987 7 F HN 0.427 nan 8.300 nan 0.000 0.489 8 R N 2.778 123.459 120.500 0.302 0.000 2.220 8 R HA 0.325 4.665 4.340 -0.001 0.000 0.340 8 R C -2.517 173.752 176.300 -0.053 0.000 1.076 8 R CA -1.769 54.356 56.100 0.041 0.000 0.920 8 R CB -0.096 30.218 30.300 0.023 0.000 1.062 8 R HN 0.224 nan 8.270 nan 0.000 0.469 9 P HA 0.096 nan 4.420 nan 0.000 0.281 9 P C 0.366 177.580 177.300 -0.142 0.000 1.264 9 P CA -0.583 62.370 63.100 -0.245 0.000 0.824 9 P CB 1.166 32.511 31.700 -0.592 0.000 1.092 10 L N -0.282 120.898 121.223 -0.073 0.000 2.109 10 L HA 0.021 4.361 4.340 -0.001 0.000 0.207 10 L C 0.450 177.293 176.870 -0.045 0.000 1.086 10 L CA 1.574 56.389 54.840 -0.042 0.000 0.760 10 L CB -0.068 41.984 42.059 -0.012 0.000 0.910 10 L HN 0.463 nan 8.230 nan 0.000 0.437 11 T N -0.301 114.232 114.554 -0.036 0.000 2.971 11 T HA 0.438 4.788 4.350 -0.001 0.000 0.304 11 T C -0.575 174.124 174.700 -0.001 0.000 1.038 11 T CA -0.498 61.591 62.100 -0.018 0.000 1.007 11 T CB 2.417 71.289 68.868 0.007 0.000 1.055 11 T HN -0.148 nan 8.240 nan 0.000 0.451 12 L N 4.580 125.793 121.223 -0.016 0.000 2.379 12 L HA 0.526 4.866 4.340 -0.001 0.000 0.269 12 L C -1.715 175.188 176.870 0.055 0.000 1.084 12 L CA -2.194 52.647 54.840 0.002 0.000 0.802 12 L CB 0.988 43.014 42.059 -0.054 0.000 1.175 12 L HN 0.385 nan 8.230 nan 0.000 0.448 13 P HA 0.186 nan 4.420 nan 0.000 0.273 13 P C -2.683 174.636 177.300 0.032 0.000 1.250 13 P CA -1.330 61.801 63.100 0.051 0.000 0.793 13 P CB -0.466 31.166 31.700 -0.114 0.000 1.011 14 P HA 0.137 nan 4.420 nan 0.000 0.271 14 P C -0.001 177.306 177.300 0.011 0.000 1.216 14 P CA 0.093 63.255 63.100 0.104 0.000 0.776 14 P CB 0.099 31.914 31.700 0.193 0.000 0.881 15 K N -1.444 118.956 120.400 0.000 0.000 3.495 15 K HA -0.216 4.104 4.320 -0.001 0.000 0.315 15 K C -0.031 176.557 176.600 -0.020 0.000 1.301 15 K CA 0.701 56.978 56.287 -0.016 0.000 0.985 15 K CB -1.592 30.897 32.500 -0.020 0.000 1.244 15 K HN 0.215 nan 8.250 nan 0.000 0.433 16 L N 1.600 122.797 121.223 -0.042 0.000 2.275 16 L HA 0.274 4.614 4.340 -0.001 0.000 0.288 16 L C 0.552 177.408 176.870 -0.024 0.000 1.046 16 L CA 0.051 54.859 54.840 -0.054 0.000 0.805 16 L CB 1.371 43.321 42.059 -0.181 0.000 1.193 16 L HN 0.216 nan 8.230 nan 0.000 0.426 17 S N 3.648 119.356 115.700 0.014 0.000 2.600 17 S HA 0.147 4.616 4.470 -0.001 0.000 0.265 17 S C 1.094 175.724 174.600 0.049 0.000 1.325 17 S CA -0.428 57.788 58.200 0.028 0.000 1.002 17 S CB 0.680 63.905 63.200 0.043 0.000 0.921 17 S HN 0.685 nan 8.310 nan 0.000 0.554 18 L N 1.701 122.949 121.223 0.042 0.000 2.093 18 L HA -0.013 4.326 4.340 -0.001 0.000 0.208 18 L C 2.837 179.782 176.870 0.125 0.000 1.085 18 L CA 1.912 56.787 54.840 0.057 0.000 0.755 18 L CB -0.868 41.201 42.059 0.018 0.000 0.904 18 L HN 0.964 nan 8.230 nan 0.000 0.435 19 S N -0.674 115.092 115.700 0.110 0.000 2.365 19 S HA -0.259 4.211 4.470 -0.001 0.000 0.225 19 S C 1.784 176.494 174.600 0.183 0.000 1.039 19 S CA 1.952 60.232 58.200 0.134 0.000 1.033 19 S CB -0.393 62.871 63.200 0.107 0.000 0.887 19 S HN 0.546 nan 8.310 nan 0.000 0.447 20 D N -0.274 120.241 120.400 0.192 0.000 2.178 20 D HA -0.032 4.608 4.640 -0.001 0.000 0.202 20 D C 1.579 177.955 176.300 0.127 0.000 0.974 20 D CA 0.641 54.800 54.000 0.267 0.000 0.841 20 D CB -0.422 40.563 40.800 0.308 0.000 0.953 20 D HN 0.502 nan 8.370 nan 0.000 0.478 21 F N 1.838 121.757 119.950 -0.052 0.000 2.095 21 F HA -0.201 4.326 4.527 -0.001 0.000 0.298 21 F C 2.051 177.886 175.800 0.059 0.000 1.104 21 F CA 1.433 59.390 58.000 -0.072 0.000 1.232 21 F CB -0.070 38.899 39.000 -0.052 0.000 0.987 21 F HN -0.073 nan 8.300 nan 0.000 0.475 22 N N -0.149 118.760 118.700 0.348 0.000 2.188 22 N HA -0.200 4.539 4.740 -0.001 0.000 0.184 22 N C 1.861 177.461 175.510 0.150 0.000 1.018 22 N CA 1.187 54.397 53.050 0.268 0.000 0.858 22 N CB -0.269 38.365 38.487 0.245 0.000 0.989 22 N HN 0.499 nan 8.380 nan 0.000 0.426 23 E N 0.176 120.468 120.200 0.153 0.000 2.152 23 E HA -0.143 4.207 4.350 -0.001 0.000 0.192 23 E C 1.694 178.331 176.600 0.062 0.000 0.983 23 E CA 0.450 56.944 56.400 0.156 0.000 0.818 23 E CB 0.019 29.889 29.700 0.283 0.000 0.758 23 E HN 0.227 nan 8.360 nan 0.000 0.467 24 F N 0.863 120.611 119.950 -0.336 0.000 2.084 24 F HA -0.177 4.350 4.527 -0.001 0.000 0.296 24 F C 2.051 177.661 175.800 -0.318 0.000 1.111 24 F CA 1.125 58.758 58.000 -0.611 0.000 1.224 24 F CB -0.249 38.191 39.000 -0.932 0.000 0.991 24 F HN -0.013 nan 8.300 nan 0.000 0.471 25 I N 0.644 121.214 120.570 0.000 0.000 2.361 25 I HA -0.268 3.902 4.170 -0.001 0.000 0.251 25 I C 2.291 178.360 176.117 -0.080 0.000 1.133 25 I CA 1.127 62.398 61.300 -0.048 0.000 1.413 25 I CB -0.676 37.304 38.000 -0.033 0.000 1.073 25 I HN 0.206 nan 8.210 nan 0.000 0.424 26 Q N 0.504 120.278 119.800 -0.042 0.000 2.061 26 Q HA -0.212 4.128 4.340 -0.001 0.000 0.204 26 Q C 1.826 177.788 176.000 -0.065 0.000 0.984 26 Q CA 1.894 57.681 55.803 -0.027 0.000 0.846 26 Q CB -0.591 28.156 28.738 0.016 0.000 0.902 26 Q HN 0.569 nan 8.270 nan 0.000 0.421 27 D N -0.488 119.847 120.400 -0.109 0.000 2.183 27 D HA -0.080 4.559 4.640 -0.001 0.000 0.203 27 D C 1.990 178.188 176.300 -0.170 0.000 0.969 27 D CA 0.533 54.459 54.000 -0.124 0.000 0.842 27 D CB 0.028 40.753 40.800 -0.124 0.000 0.957 27 D HN 0.293 nan 8.370 nan 0.000 0.484 28 I N 0.781 121.203 120.570 -0.246 0.000 2.233 28 I HA -0.182 3.988 4.170 -0.001 0.000 0.243 28 I C 2.557 178.602 176.117 -0.120 0.000 1.093 28 I CA 0.636 61.805 61.300 -0.219 0.000 1.380 28 I CB -0.117 37.722 38.000 -0.268 0.000 1.067 28 I HN -0.100 nan 8.210 nan 0.000 0.413 29 I N 0.551 121.066 120.570 -0.092 0.000 2.208 29 I HA -0.323 3.846 4.170 -0.001 0.000 0.245 29 I C 2.801 178.888 176.117 -0.050 0.000 1.097 29 I CA 1.344 62.611 61.300 -0.055 0.000 1.363 29 I CB -0.251 37.726 38.000 -0.039 0.000 1.051 29 I HN 0.144 nan 8.210 nan 0.000 0.413 30 R N 0.677 121.143 120.500 -0.056 0.000 2.080 30 R HA -0.178 4.161 4.340 -0.001 0.000 0.236 30 R C 2.284 178.556 176.300 -0.047 0.000 1.137 30 R CA 1.846 57.920 56.100 -0.044 0.000 0.943 30 R CB -0.243 30.033 30.300 -0.041 0.000 0.846 30 R HN 0.273 nan 8.270 nan 0.000 0.431 31 I N -0.082 120.449 120.570 -0.064 0.000 2.202 31 I HA -0.218 3.951 4.170 -0.001 0.000 0.242 31 I C 2.109 178.196 176.117 -0.051 0.000 1.091 31 I CA 1.129 62.393 61.300 -0.060 0.000 1.368 31 I CB 0.017 37.969 38.000 -0.079 0.000 1.058 31 I HN 0.171 nan 8.210 nan 0.000 0.410 32 V N -1.586 118.296 119.914 -0.055 0.000 3.354 32 V HA 0.472 4.592 4.120 -0.001 0.000 0.258 32 V C 0.942 177.018 176.094 -0.030 0.000 1.159 32 V CA 0.222 62.497 62.300 -0.042 0.000 1.125 32 V CB -1.003 30.793 31.823 -0.046 0.000 0.774 32 V HN 0.471 nan 8.190 nan 0.000 0.464 33 G N 1.173 109.955 108.800 -0.030 0.000 2.764 33 G HA2 -0.154 3.806 3.960 -0.001 0.000 0.686 33 G HA3 -0.154 3.806 3.960 -0.001 0.000 0.686 33 G C 0.374 175.263 174.900 -0.019 0.000 1.258 33 G CA 0.346 45.433 45.100 -0.021 0.000 0.846 33 G HN 1.599 nan 8.290 nan 0.000 0.596 34 S N -0.086 115.604 115.700 -0.016 0.000 2.595 34 S HA -0.006 4.463 4.470 -0.001 0.000 0.235 34 S C 1.567 176.163 174.600 -0.007 0.000 0.974 34 S CA 1.555 59.746 58.200 -0.014 0.000 0.942 34 S CB 0.124 63.315 63.200 -0.016 0.000 0.766 34 S HN 0.638 nan 8.310 nan 0.000 0.536 35 E N 2.354 122.551 120.200 -0.005 0.000 2.107 35 E HA 0.051 4.400 4.350 -0.001 0.000 0.191 35 E C 0.622 177.225 176.600 0.005 0.000 0.982 35 E CA 0.663 57.063 56.400 0.000 0.000 0.809 35 E CB -0.298 29.402 29.700 -0.000 0.000 0.756 35 E HN 0.579 nan 8.360 nan 0.000 0.459 36 N N 0.226 118.926 118.700 -0.000 0.000 2.321 36 N HA 0.091 4.831 4.740 -0.001 0.000 0.242 36 N C -0.904 174.608 175.510 0.002 0.000 1.141 36 N CA 0.073 53.124 53.050 0.002 0.000 0.864 36 N CB 1.567 40.049 38.487 -0.008 0.000 1.100 36 N HN -0.149 nan 8.380 nan 0.000 0.510 37 V N 0.304 120.223 119.914 0.008 0.000 2.567 37 V HA 0.301 4.420 4.120 -0.001 0.000 0.298 37 V C -0.366 175.747 176.094 0.031 0.000 1.047 37 V CA -0.874 61.435 62.300 0.015 0.000 0.880 37 V CB 2.865 34.688 31.823 0.001 0.000 1.009 37 V HN 0.030 nan 8.190 nan 0.000 0.429 38 E N 3.730 123.961 120.200 0.053 0.000 2.182 38 E HA 0.558 4.907 4.350 -0.001 0.000 0.258 38 E C -1.240 175.416 176.600 0.095 0.000 0.879 38 E CA -0.424 56.014 56.400 0.064 0.000 0.754 38 E CB 2.118 31.857 29.700 0.065 0.000 1.162 38 E HN 0.525 nan 8.360 nan 0.000 0.419 39 V N 4.907 124.883 119.914 0.104 0.000 2.649 39 V HA 0.187 4.306 4.120 -0.001 0.000 0.292 39 V C 0.298 176.461 176.094 0.115 0.000 1.055 39 V CA -0.499 61.896 62.300 0.158 0.000 1.023 39 V CB 1.085 33.017 31.823 0.182 0.000 0.992 39 V HN 0.596 nan 8.190 nan 0.000 0.480 40 I N 3.640 124.283 120.570 0.122 0.000 2.328 40 I HA 0.418 4.588 4.170 -0.001 0.000 0.287 40 I C 0.444 176.593 176.117 0.054 0.000 1.012 40 I CA 0.320 61.673 61.300 0.088 0.000 1.195 40 I CB 0.521 38.583 38.000 0.103 0.000 1.350 40 I HN 0.598 nan 8.210 nan 0.000 0.464 48 D N 1.959 122.535 120.400 0.294 0.000 2.183 48 D HA 0.198 4.838 4.640 -0.001 0.000 0.203 48 D C 1.427 177.787 176.300 0.100 0.000 0.969 48 D CA 2.205 56.387 54.000 0.302 0.000 0.842 48 D CB 0.251 41.206 40.800 0.260 0.000 0.957 48 D HN 1.184 nan 8.370 nan 0.000 0.484 49 G N -0.184 108.649 108.800 0.056 0.000 2.566 49 G HA2 -0.231 3.728 3.960 -0.001 0.000 0.280 49 G HA3 -0.231 3.728 3.960 -0.001 0.000 0.280 49 G C -0.035 174.861 174.900 -0.006 0.000 1.225 49 G CA 0.739 45.843 45.100 0.006 0.000 0.966 49 G HN 0.671 nan 8.290 nan 0.000 0.560 50 S N -3.010 112.683 115.700 -0.010 0.000 2.752 50 S HA 0.550 5.020 4.470 -0.001 0.000 0.284 50 S C 0.122 174.760 174.600 0.063 0.000 1.189 50 S CA 0.379 58.586 58.200 0.012 0.000 0.835 50 S CB 1.379 64.578 63.200 -0.002 0.000 1.192 50 S HN 1.547 nan 8.310 nan 0.000 0.506 51 Y N 0.664 120.940 120.300 -0.039 0.000 2.352 51 Y HA 0.081 4.631 4.550 -0.001 0.000 0.292 51 Y C 1.880 177.762 175.900 -0.030 0.000 1.136 51 Y CA 1.533 59.629 58.100 -0.007 0.000 1.227 51 Y CB -0.450 38.010 38.460 0.000 0.000 0.991 51 Y HN 0.556 nan 8.280 nan 0.000 0.545 52 M N -0.586 118.957 119.600 -0.095 0.000 2.357 52 M HA 0.034 4.513 4.480 -0.001 0.000 0.266 52 M C 0.578 176.776 176.300 -0.169 0.000 1.095 52 M CA 1.228 56.414 55.300 -0.188 0.000 1.156 52 M CB 0.091 32.611 32.600 -0.135 0.000 1.365 52 M HN -0.351 nan 8.290 nan 0.000 0.447 53 K N 1.772 122.099 120.400 -0.122 0.000 2.499 53 K HA 0.375 4.695 4.320 -0.001 0.000 0.215 53 K C -2.562 173.952 176.600 -0.144 0.000 1.041 53 K CA -1.814 54.399 56.287 -0.123 0.000 1.031 53 K CB 0.336 32.779 32.500 -0.095 0.000 1.479 53 K HN 0.060 nan 8.250 nan 0.000 0.518 54 P HA 0.004 nan 4.420 nan 0.000 0.271 54 P C 0.092 177.230 177.300 -0.270 0.000 1.216 54 P CA -0.137 62.881 63.100 -0.136 0.000 0.776 54 P CB 0.703 32.373 31.700 -0.050 0.000 0.881 55 T N 1.497 115.951 114.554 -0.168 0.000 2.907 55 T HA 0.105 4.455 4.350 -0.001 0.000 0.298 55 T C 0.524 175.182 174.700 -0.069 0.000 1.017 55 T CA 0.013 61.991 62.100 -0.203 0.000 1.118 55 T CB -0.217 68.492 68.868 -0.265 0.000 0.948 55 T HN 0.427 nan 8.240 nan 0.000 0.531 56 H N 1.678 120.744 119.070 -0.008 0.000 2.674 56 H HA 0.193 4.748 4.556 -0.001 0.000 0.274 56 H C 1.739 177.102 175.328 0.058 0.000 1.121 56 H CA 0.166 56.235 56.048 0.035 0.000 1.132 56 H CB 0.730 30.518 29.762 0.044 0.000 1.606 56 H HN 0.747 nan 8.280 nan 0.000 0.558 57 T N -2.011 112.628 114.554 0.142 0.000 3.046 57 T HA 0.003 4.353 4.350 -0.001 0.000 0.242 57 T C 0.796 175.631 174.700 0.225 0.000 1.018 57 T CA 0.112 62.324 62.100 0.187 0.000 1.131 57 T CB 0.285 69.298 68.868 0.242 0.000 0.904 57 T HN 0.437 nan 8.240 nan 0.000 0.459 58 H N -0.260 118.900 119.070 0.150 0.000 2.990 58 H HA 0.538 5.094 4.556 -0.001 0.000 0.343 58 H C -1.924 173.535 175.328 0.218 0.000 1.270 58 H CA -0.806 55.346 56.048 0.172 0.000 1.118 58 H CB 1.148 31.003 29.762 0.155 0.000 1.861 58 H HN 0.092 nan 8.280 nan 0.000 0.544 59 D N 2.420 123.061 120.400 0.402 0.000 2.344 59 D HA 0.118 4.758 4.640 -0.001 0.000 0.253 59 D C -1.434 175.174 176.300 0.513 0.000 1.255 59 D CA -2.046 52.191 54.000 0.395 0.000 0.894 59 D CB 1.226 42.314 40.800 0.480 0.000 1.067 59 D HN 0.220 nan 8.370 nan 0.000 0.492 60 P HA -0.139 nan 4.420 nan 0.000 0.216 60 P C 0.065 177.411 177.300 0.076 0.000 1.153 60 P CA 1.030 64.272 63.100 0.237 0.000 0.844 60 P CB 0.082 31.822 31.700 0.067 0.000 0.787 61 H N 0.161 119.326 119.070 0.159 0.000 2.640 61 H HA 0.119 4.675 4.556 -0.001 0.000 0.220 61 H C 0.176 175.679 175.328 0.293 0.000 1.852 61 H CA -0.443 55.647 56.048 0.070 0.000 1.275 61 H CB -1.055 28.807 29.762 0.166 0.000 1.675 61 H HN 0.434 nan 8.280 nan 0.000 0.523 62 H N -1.436 117.946 119.070 0.519 0.000 2.722 62 H HA 0.146 4.701 4.556 -0.001 0.000 0.328 62 H C 1.169 176.786 175.328 0.482 0.000 1.067 62 H CA -0.708 55.643 56.048 0.505 0.000 1.447 62 H CB 0.977 30.965 29.762 0.377 0.000 1.469 62 H HN 0.116 nan 8.280 nan 0.000 0.544 63 V N -0.261 119.857 119.914 0.340 0.000 3.125 63 V HA 0.091 4.211 4.120 -0.001 0.000 0.249 63 V C 0.968 177.069 176.094 0.010 0.000 1.113 63 V CA 0.094 62.380 62.300 -0.023 0.000 1.106 63 V CB -0.374 31.363 31.823 -0.143 0.000 0.768 63 V HN 0.549 nan 8.190 nan 0.000 0.468 64 M N 0.571 120.211 119.600 0.065 0.000 2.116 64 M HA 0.407 4.886 4.480 -0.001 0.000 0.235 64 M C -0.110 176.178 176.300 -0.021 0.000 1.193 64 M CA -0.501 54.736 55.300 -0.107 0.000 0.959 64 M CB -0.198 32.184 32.600 -0.363 0.000 1.313 64 M HN 0.105 nan 8.290 nan 0.000 0.530 65 D N 1.367 121.696 120.400 -0.118 0.000 2.515 65 D HA -0.085 4.555 4.640 -0.001 0.000 0.232 65 D C 0.917 177.194 176.300 -0.038 0.000 1.157 65 D CA 0.374 54.353 54.000 -0.034 0.000 0.871 65 D CB 0.485 41.310 40.800 0.043 0.000 1.200 65 D HN 0.455 nan 8.370 nan 0.000 0.466 66 Q N 1.205 120.895 119.800 -0.185 0.000 2.119 66 Q HA -0.147 4.193 4.340 -0.001 0.000 0.201 66 Q C 0.491 176.392 176.000 -0.166 0.000 0.972 66 Q CA 1.125 56.707 55.803 -0.368 0.000 0.847 66 Q CB 0.223 28.645 28.738 -0.528 0.000 0.903 66 Q HN 0.633 nan 8.270 nan 0.000 0.433 67 D N -1.130 119.213 120.400 -0.094 0.000 2.395 67 D HA -0.069 4.570 4.640 -0.001 0.000 0.226 67 D C 0.788 177.083 176.300 -0.009 0.000 1.146 67 D CA -0.283 53.687 54.000 -0.051 0.000 0.830 67 D CB -0.129 40.630 40.800 -0.068 0.000 0.958 67 D HN 0.220 nan 8.370 nan 0.000 0.501 68 Y N 1.349 121.564 120.300 -0.141 0.000 2.196 68 Y HA 0.041 4.591 4.550 -0.001 0.000 0.265 68 Y C 0.455 176.191 175.900 -0.273 0.000 1.076 68 Y CA 0.956 58.884 58.100 -0.287 0.000 1.070 68 Y CB -0.259 37.917 38.460 -0.472 0.000 1.009 68 Y HN -0.203 nan 8.280 nan 0.000 0.473 69 F N 2.013 122.118 119.950 0.260 0.000 2.439 69 F HA 0.360 4.887 4.527 -0.001 0.000 0.356 69 F C -0.492 175.360 175.800 0.085 0.000 1.161 69 F CA -0.125 57.946 58.000 0.118 0.000 1.151 69 F CB 0.069 39.153 39.000 0.140 0.000 1.222 69 F HN -0.047 nan 8.300 nan 0.000 0.558 70 L N 2.869 124.188 121.223 0.160 0.000 2.493 70 L HA 0.833 5.172 4.340 -0.001 0.000 0.265 70 L C -0.428 176.504 176.870 0.104 0.000 0.954 70 L CA -0.573 54.347 54.840 0.135 0.000 0.844 70 L CB 1.498 43.608 42.059 0.084 0.000 1.302 70 L HN 0.520 nan 8.230 nan 0.000 0.405 71 A N 2.327 125.219 122.820 0.119 0.000 2.327 71 A HA 0.532 4.851 4.320 -0.001 0.000 0.255 71 A C 0.965 178.637 177.584 0.147 0.000 1.099 71 A CA 0.408 52.519 52.037 0.122 0.000 0.801 71 A CB 0.368 19.445 19.000 0.128 0.000 1.062 71 A HN 1.110 nan 8.150 nan 0.000 0.496 72 S N -0.645 115.175 115.700 0.200 0.000 2.502 72 S HA 0.545 5.014 4.470 -0.001 0.000 0.228 72 S C 0.769 175.562 174.600 0.321 0.000 1.061 72 S CA 0.780 59.145 58.200 0.275 0.000 0.935 72 S CB -0.288 63.191 63.200 0.464 0.000 0.809 72 S HN 1.785 nan 8.310 nan 0.000 0.510 73 A N 0.291 123.263 122.820 0.253 0.000 2.548 73 A HA 0.883 5.202 4.320 -0.001 0.000 0.282 73 A C -1.746 175.905 177.584 0.112 0.000 1.288 73 A CA -0.810 51.342 52.037 0.193 0.000 0.748 73 A CB 0.736 19.833 19.000 0.162 0.000 1.339 73 A HN 0.342 nan 8.150 nan 0.000 0.475 74 I N -0.647 119.973 120.570 0.083 0.000 2.710 74 I HA 0.464 4.634 4.170 -0.001 0.000 0.290 74 I C -1.240 174.900 176.117 0.038 0.000 1.318 74 I CA -0.139 61.203 61.300 0.070 0.000 1.045 74 I CB 2.343 40.411 38.000 0.114 0.000 1.307 74 I HN 0.397 nan 8.210 nan 0.000 0.424 75 V N 4.255 124.173 119.914 0.007 0.000 2.823 75 V HA 0.837 4.957 4.120 -0.001 0.000 0.312 75 V C -0.160 175.923 176.094 -0.017 0.000 1.072 75 V CA -0.739 61.555 62.300 -0.010 0.000 0.937 75 V CB 1.969 33.771 31.823 -0.035 0.000 1.013 75 V HN 0.765 nan 8.190 nan 0.000 0.430 76 A N 4.967 127.779 122.820 -0.014 0.000 2.786 76 A HA 0.680 5.000 4.320 -0.001 0.000 0.346 76 A C -2.473 175.095 177.584 -0.027 0.000 1.265 76 A CA -1.570 50.456 52.037 -0.019 0.000 0.858 76 A CB 0.062 19.064 19.000 0.003 0.000 1.118 76 A HN 0.587 nan 8.150 nan 0.000 0.482 77 P HA -0.040 nan 4.420 nan 0.000 0.261 77 P C 0.355 177.637 177.300 -0.031 0.000 1.173 77 P CA 0.348 63.424 63.100 -0.039 0.000 0.760 77 P CB 0.660 32.331 31.700 -0.047 0.000 0.783 78 R N 2.574 123.058 120.500 -0.027 0.000 2.127 78 R HA 0.044 4.383 4.340 -0.001 0.000 0.217 78 R C 1.229 177.518 176.300 -0.018 0.000 1.074 78 R CA 0.819 56.908 56.100 -0.019 0.000 0.991 78 R CB -0.238 30.053 30.300 -0.016 0.000 0.895 78 R HN 0.684 nan 8.270 nan 0.000 0.450 79 N N -2.213 116.474 118.700 -0.023 0.000 3.204 79 N HA 0.132 4.872 4.740 -0.001 0.000 0.285 79 N C 0.385 175.879 175.510 -0.027 0.000 1.536 79 N CA -0.750 52.288 53.050 -0.020 0.000 0.832 79 N CB 1.371 39.849 38.487 -0.015 0.000 1.645 79 N HN -0.338 nan 8.380 nan 0.000 0.586 80 V N 0.040 119.940 119.914 -0.024 0.000 2.343 80 V HA -0.193 3.926 4.120 -0.001 0.000 0.247 80 V C 2.496 178.569 176.094 -0.035 0.000 1.051 80 V CA 2.555 64.837 62.300 -0.031 0.000 1.036 80 V CB -1.222 30.584 31.823 -0.029 0.000 0.654 80 V HN 0.843 nan 8.190 nan 0.000 0.451 81 A N -0.586 122.215 122.820 -0.032 0.000 2.119 81 A HA -0.174 4.146 4.320 -0.001 0.000 0.217 81 A C 1.883 179.445 177.584 -0.037 0.000 1.153 81 A CA 1.519 53.536 52.037 -0.033 0.000 0.692 81 A CB -0.474 18.509 19.000 -0.029 0.000 0.799 81 A HN 0.512 nan 8.150 nan 0.000 0.458 82 D N -0.238 120.139 120.400 -0.038 0.000 2.144 82 D HA -0.090 4.550 4.640 -0.001 0.000 0.200 82 D C 1.952 178.222 176.300 -0.050 0.000 0.978 82 D CA 1.360 55.333 54.000 -0.046 0.000 0.833 82 D CB -0.100 40.674 40.800 -0.043 0.000 0.961 82 D HN 0.246 nan 8.370 nan 0.000 0.470 83 V N 0.282 120.167 119.914 -0.047 0.000 2.667 83 V HA -0.174 3.945 4.120 -0.001 0.000 0.252 83 V C 2.310 178.379 176.094 -0.042 0.000 1.065 83 V CA 1.227 63.498 62.300 -0.049 0.000 1.083 83 V CB -0.487 31.305 31.823 -0.052 0.000 0.692 83 V HN 0.151 nan 8.190 nan 0.000 0.468 84 Q N -0.003 119.773 119.800 -0.039 0.000 2.049 84 Q HA -0.130 4.210 4.340 -0.001 0.000 0.198 84 Q C 2.615 178.598 176.000 -0.028 0.000 0.971 84 Q CA 1.816 57.600 55.803 -0.031 0.000 0.833 84 Q CB -0.173 28.547 28.738 -0.031 0.000 0.896 84 Q HN 0.589 nan 8.270 nan 0.000 0.434 85 S N 0.708 116.385 115.700 -0.038 0.000 2.353 85 S HA -0.173 4.296 4.470 -0.001 0.000 0.222 85 S C 1.913 176.476 174.600 -0.061 0.000 1.035 85 S CA 1.165 59.337 58.200 -0.047 0.000 1.025 85 S CB -0.301 62.864 63.200 -0.057 0.000 0.902 85 S HN 0.287 nan 8.310 nan 0.000 0.440 86 I N 0.950 121.476 120.570 -0.074 0.000 2.163 86 I HA -0.189 3.980 4.170 -0.001 0.000 0.243 86 I C 2.211 178.316 176.117 -0.020 0.000 1.085 86 I CA 0.982 62.229 61.300 -0.088 0.000 1.347 86 I CB -0.459 37.495 38.000 -0.077 0.000 1.044 86 I HN 0.152 nan 8.210 nan 0.000 0.408 87 V N 0.901 120.814 119.914 -0.002 0.000 2.237 87 V HA -0.248 3.872 4.120 -0.001 0.000 0.245 87 V C 2.620 178.749 176.094 0.059 0.000 1.046 87 V CA 2.291 64.611 62.300 0.032 0.000 1.007 87 V CB -1.519 30.309 31.823 0.008 0.000 0.638 87 V HN 0.588 nan 8.190 nan 0.000 0.445 88 G N -0.574 108.246 108.800 0.032 0.000 2.507 88 G HA2 -0.269 3.691 3.960 -0.001 0.000 0.221 88 G HA3 -0.269 3.691 3.960 -0.001 0.000 0.221 88 G C 1.606 176.552 174.900 0.078 0.000 1.119 88 G CA 1.269 46.394 45.100 0.041 0.000 0.751 88 G HN 0.460 nan 8.290 nan 0.000 0.574 89 L N 0.251 121.518 121.223 0.073 0.000 2.068 89 L HA 0.085 4.425 4.340 -0.001 0.000 0.204 89 L C 3.372 180.475 176.870 0.389 0.000 1.076 89 L CA 0.950 55.871 54.840 0.135 0.000 0.753 89 L CB -0.347 41.640 42.059 -0.121 0.000 0.910 89 L HN 0.273 nan 8.230 nan 0.000 0.439 90 A N -0.140 122.912 122.820 0.386 0.000 2.024 90 A HA -0.226 4.093 4.320 -0.001 0.000 0.220 90 A C 1.993 179.808 177.584 0.384 0.000 1.164 90 A CA 1.855 54.204 52.037 0.520 0.000 0.643 90 A CB -0.573 18.620 19.000 0.322 0.000 0.806 90 A HN 0.427 nan 8.150 nan 0.000 0.451 91 N N 0.010 118.862 118.700 0.254 0.000 2.080 91 N HA -0.158 4.581 4.740 -0.001 0.000 0.189 91 N C 1.676 177.294 175.510 0.179 0.000 1.036 91 N CA 1.733 54.890 53.050 0.179 0.000 0.846 91 N CB -0.387 38.167 38.487 0.110 0.000 1.015 91 N HN 0.654 nan 8.380 nan 0.000 0.423 92 K N -0.416 120.093 120.400 0.183 0.000 2.113 92 K HA -0.107 4.213 4.320 -0.001 0.000 0.208 92 K C 1.400 177.974 176.600 -0.043 0.000 1.047 92 K CA 1.415 57.734 56.287 0.054 0.000 0.928 92 K CB -0.176 32.342 32.500 0.030 0.000 0.716 92 K HN 0.097 nan 8.250 nan 0.000 0.446 93 F N -0.038 120.029 119.950 0.196 0.000 2.437 93 F HA 0.231 4.758 4.527 -0.001 0.000 0.288 93 F C 0.234 176.098 175.800 0.107 0.000 1.085 93 F CA 0.432 58.529 58.000 0.162 0.000 1.430 93 F CB 0.392 39.538 39.000 0.244 0.000 1.120 93 F HN -0.194 nan 8.300 nan 0.000 0.556 94 S N 0.581 116.482 115.700 0.334 0.000 3.956 94 S HA -0.178 4.292 4.470 -0.001 0.000 0.543 94 S C -0.812 173.936 174.600 0.248 0.000 0.751 94 S CA -0.288 58.057 58.200 0.241 0.000 1.360 94 S CB -2.103 61.186 63.200 0.148 0.000 0.824 94 S HN 0.199 nan 8.310 nan 0.000 0.719 95 F N 3.414 123.431 119.950 0.111 0.000 2.445 95 F HA 0.550 5.077 4.527 -0.001 0.000 0.348 95 F C -2.587 173.229 175.800 0.027 0.000 1.125 95 F CA -2.424 55.552 58.000 -0.040 0.000 0.983 95 F CB 1.212 39.990 39.000 -0.369 0.000 1.198 95 F HN 0.030 nan 8.300 nan 0.000 0.436 96 P HA 0.228 nan 4.420 nan 0.000 0.268 96 P C -0.865 176.517 177.300 0.136 0.000 1.205 96 P CA 0.230 63.483 63.100 0.256 0.000 0.771 96 P CB 0.675 32.524 31.700 0.249 0.000 0.858 97 L N 2.207 123.483 121.223 0.089 0.000 2.322 97 L HA 0.626 4.966 4.340 -0.001 0.000 0.269 97 L C -0.368 176.604 176.870 0.169 0.000 1.012 97 L CA -0.521 54.349 54.840 0.050 0.000 0.815 97 L CB 1.863 43.922 42.059 0.001 0.000 1.295 97 L HN 0.428 nan 8.230 nan 0.000 0.438 98 W N 3.841 125.092 121.300 -0.081 0.000 2.631 98 W HA 0.365 5.025 4.660 -0.001 0.000 0.321 98 W C -2.801 173.670 176.519 -0.080 0.000 1.004 98 W CA -1.629 55.669 57.345 -0.077 0.000 1.291 98 W CB 2.368 31.797 29.460 -0.052 0.000 1.300 98 W HN 0.175 nan 8.180 nan 0.000 0.422 99 P HA 0.306 nan 4.420 nan 0.000 0.293 99 P C -0.618 176.474 177.300 -0.347 0.000 1.300 99 P CA 0.065 62.981 63.100 -0.306 0.000 0.792 99 P CB 1.475 32.990 31.700 -0.308 0.000 0.925 100 I N -0.808 119.652 120.570 -0.184 0.000 2.892 100 I HA 0.583 4.752 4.170 -0.001 0.000 0.306 100 I C 0.578 176.612 176.117 -0.137 0.000 1.078 100 I CA -0.546 60.670 61.300 -0.141 0.000 1.032 100 I CB 2.038 40.009 38.000 -0.048 0.000 1.229 100 I HN -0.019 nan 8.210 nan 0.000 0.435 101 S N 2.685 118.322 115.700 -0.105 0.000 2.438 101 S HA 0.373 4.843 4.470 -0.001 0.000 0.220 101 S C 1.178 175.734 174.600 -0.073 0.000 1.045 101 S CA 0.532 58.679 58.200 -0.090 0.000 0.940 101 S CB 0.143 63.299 63.200 -0.074 0.000 0.863 101 S HN 0.692 nan 8.310 nan 0.000 0.539 102 I N -0.320 120.233 120.570 -0.028 0.000 4.730 102 I HA 0.225 4.395 4.170 -0.001 0.000 0.332 102 I C 1.292 177.465 176.117 0.095 0.000 1.299 102 I CA 0.688 62.003 61.300 0.025 0.000 1.294 102 I CB -0.039 37.983 38.000 0.037 0.000 1.317 102 I HN 0.476 nan 8.210 nan 0.000 0.457 103 G N 2.604 111.453 108.800 0.082 0.000 2.198 103 G HA2 -0.317 3.642 3.960 -0.001 0.000 0.260 103 G HA3 -0.317 3.642 3.960 -0.001 0.000 0.260 103 G C 0.784 175.809 174.900 0.209 0.000 1.025 103 G CA 0.308 45.503 45.100 0.158 0.000 0.769 103 G HN 0.398 nan 8.290 nan 0.000 0.507 104 R N -0.581 120.043 120.500 0.206 0.000 2.466 104 R HA 0.137 4.476 4.340 -0.001 0.000 0.279 104 R C 1.052 177.549 176.300 0.329 0.000 0.976 104 R CA -0.259 56.011 56.100 0.284 0.000 1.081 104 R CB 0.022 30.489 30.300 0.278 0.000 1.215 104 R HN 0.198 nan 8.270 nan 0.000 0.546 105 N N 1.167 120.032 118.700 0.275 0.000 3.058 105 N HA -0.029 4.710 4.740 -0.001 0.000 0.317 105 N C -0.845 174.843 175.510 0.298 0.000 1.266 105 N CA 0.372 53.601 53.050 0.298 0.000 1.145 105 N CB -0.032 38.601 38.487 0.243 0.000 1.426 105 N HN 0.002 nan 8.380 nan 0.000 0.561 106 S N -0.734 115.138 115.700 0.286 0.000 2.564 106 S HA 0.387 4.857 4.470 -0.001 0.000 0.278 106 S C 1.461 175.976 174.600 -0.141 0.000 1.333 106 S CA 0.051 58.381 58.200 0.218 0.000 1.048 106 S CB 1.016 64.416 63.200 0.333 0.000 0.900 106 S HN 0.622 nan 8.310 nan 0.000 0.505 107 G N 1.476 110.151 108.800 -0.209 0.000 2.228 107 G HA2 -0.310 3.649 3.960 -0.001 0.000 0.270 107 G HA3 -0.310 3.649 3.960 -0.001 0.000 0.270 107 G C 0.383 175.197 174.900 -0.144 0.000 0.976 107 G CA 0.642 45.479 45.100 -0.439 0.000 0.636 107 G HN 0.717 nan 8.290 nan 0.000 0.542 108 Y N -0.085 120.275 120.300 0.100 0.000 2.467 108 Y HA 0.442 4.992 4.550 -0.001 0.000 0.250 108 Y C 2.138 177.904 175.900 -0.223 0.000 1.155 108 Y CA 0.301 58.447 58.100 0.075 0.000 1.249 108 Y CB 0.925 39.455 38.460 0.117 0.000 1.146 108 Y HN 0.900 nan 8.280 nan 0.000 0.524 109 G N -1.437 107.325 108.800 -0.063 0.000 2.260 109 G HA2 0.032 3.992 3.960 -0.001 0.000 0.179 109 G HA3 0.032 3.992 3.960 -0.001 0.000 0.179 109 G C 1.005 175.954 174.900 0.083 0.000 1.002 109 G CA 0.023 44.999 45.100 -0.207 0.000 0.677 109 G HN 0.804 nan 8.290 nan 0.000 0.486 110 G N 0.518 109.422 108.800 0.174 0.000 2.614 110 G HA2 0.123 4.082 3.960 -0.001 0.000 0.303 110 G HA3 0.123 4.082 3.960 -0.001 0.000 0.303 110 G C 1.231 176.258 174.900 0.211 0.000 1.270 110 G CA 2.330 47.559 45.100 0.215 0.000 0.988 110 G HN 1.965 nan 8.290 nan 0.000 0.551 111 A N 0.376 123.321 122.820 0.208 0.000 2.370 111 A HA 0.749 5.069 4.320 -0.001 0.000 0.238 111 A C 1.302 178.983 177.584 0.161 0.000 1.289 111 A CA 1.536 53.717 52.037 0.241 0.000 0.885 111 A CB -0.746 18.397 19.000 0.238 0.000 0.961 111 A HN 2.317 nan 8.150 nan 0.000 0.499 112 A N 1.539 124.402 122.820 0.072 0.000 2.462 112 A HA 0.550 4.870 4.320 -0.001 0.000 0.243 112 A C -2.527 174.753 177.584 -0.507 0.000 1.076 112 A CA -1.095 50.917 52.037 -0.043 0.000 0.773 112 A CB -0.089 18.964 19.000 0.087 0.000 1.010 112 A HN 0.277 nan 8.150 nan 0.000 0.493 113 P HA 0.315 nan 4.420 nan 0.000 0.290 113 P C 0.269 177.146 177.300 -0.704 0.000 1.276 113 P CA -0.564 61.865 63.100 -1.117 0.000 0.808 113 P CB 1.357 32.783 31.700 -0.458 0.000 0.966 114 R N 3.137 123.009 120.500 -1.046 0.000 2.120 114 R HA -0.025 4.314 4.340 -0.001 0.000 0.234 114 R C 0.066 176.399 176.300 0.056 0.000 1.123 114 R CA 1.532 57.392 56.100 -0.400 0.000 0.975 114 R CB -0.966 29.101 30.300 -0.389 0.000 0.866 114 R HN 0.319 nan 8.270 nan 0.000 0.446 115 V N 2.293 122.153 119.914 -0.091 0.000 2.288 115 V HA 0.248 4.367 4.120 -0.001 0.000 0.266 115 V C -0.409 175.721 176.094 0.059 0.000 1.048 115 V CA -0.704 61.596 62.300 -0.000 0.000 0.842 115 V CB 0.832 32.583 31.823 -0.120 0.000 1.064 115 V HN 0.247 nan 8.190 nan 0.000 0.472 116 S N 3.478 119.248 115.700 0.116 0.000 2.702 116 S HA 0.301 4.770 4.470 -0.001 0.000 0.314 116 S C 1.343 176.018 174.600 0.126 0.000 1.244 116 S CA 0.696 58.945 58.200 0.082 0.000 1.058 116 S CB 0.179 63.378 63.200 -0.002 0.000 0.783 116 S HN 1.568 nan 8.310 nan 0.000 0.503 117 G N 1.980 110.862 108.800 0.137 0.000 2.183 117 G HA2 -0.175 3.785 3.960 -0.001 0.000 0.168 117 G HA3 -0.175 3.785 3.960 -0.001 0.000 0.168 117 G C 0.131 175.227 174.900 0.328 0.000 1.008 117 G CA -0.065 45.156 45.100 0.203 0.000 0.677 117 G HN 0.714 nan 8.290 nan 0.000 0.498 118 S N -1.123 114.717 115.700 0.233 0.000 2.669 118 S HA 0.557 5.027 4.470 -0.001 0.000 0.270 118 S C 0.751 175.396 174.600 0.076 0.000 1.225 118 S CA -0.163 58.156 58.200 0.199 0.000 0.991 118 S CB 1.703 64.979 63.200 0.126 0.000 0.987 118 S HN 0.590 nan 8.310 nan 0.000 0.552 119 V N 3.137 122.972 119.914 -0.132 0.000 2.154 119 V HA 0.173 4.293 4.120 -0.001 0.000 0.265 119 V C -0.261 175.823 176.094 -0.018 0.000 1.293 119 V CA -0.417 61.763 62.300 -0.201 0.000 1.205 119 V CB 0.112 31.625 31.823 -0.517 0.000 1.306 119 V HN 0.655 nan 8.190 nan 0.000 0.479 120 V N 4.760 124.722 119.914 0.080 0.000 2.678 120 V HA -0.114 4.006 4.120 -0.001 0.000 0.304 120 V C 0.235 176.357 176.094 0.047 0.000 1.086 120 V CA 0.581 62.965 62.300 0.140 0.000 1.246 120 V CB 0.389 32.307 31.823 0.158 0.000 0.861 120 V HN 0.555 nan 8.190 nan 0.000 0.491 121 L N 5.356 126.589 121.223 0.017 0.000 2.277 121 L HA 0.451 4.790 4.340 -0.001 0.000 0.284 121 L C 0.109 176.927 176.870 -0.087 0.000 1.028 121 L CA -0.029 54.785 54.840 -0.044 0.000 0.835 121 L CB 1.304 43.327 42.059 -0.060 0.000 1.215 121 L HN 0.615 nan 8.230 nan 0.000 0.425 122 D N 4.945 125.286 120.400 -0.100 0.000 2.551 122 D HA 0.054 4.693 4.640 -0.001 0.000 0.223 122 D C 1.192 177.426 176.300 -0.109 0.000 1.144 122 D CA -0.025 53.879 54.000 -0.160 0.000 1.025 122 D CB 0.536 41.252 40.800 -0.140 0.000 1.085 122 D HN 0.444 nan 8.370 nan 0.000 0.506 123 M N 0.853 120.386 119.600 -0.111 0.000 2.358 123 M HA -0.005 4.474 4.480 -0.001 0.000 0.264 123 M C 1.860 178.118 176.300 -0.071 0.000 1.064 123 M CA 0.657 55.905 55.300 -0.086 0.000 1.093 123 M CB -0.626 31.918 32.600 -0.094 0.000 1.401 123 M HN 0.324 nan 8.290 nan 0.000 0.440 124 G N -0.100 108.651 108.800 -0.081 0.000 2.492 124 G HA2 -0.131 3.828 3.960 -0.001 0.000 0.214 124 G HA3 -0.131 3.828 3.960 -0.001 0.000 0.214 124 G C 1.700 176.587 174.900 -0.021 0.000 1.147 124 G CA 0.168 45.237 45.100 -0.052 0.000 0.809 124 G HN 0.415 nan 8.290 nan 0.000 0.533 125 K N 0.334 120.728 120.400 -0.010 0.000 2.103 125 K HA -0.071 4.249 4.320 -0.001 0.000 0.207 125 K C 1.834 178.440 176.600 0.010 0.000 1.048 125 K CA 1.554 57.855 56.287 0.023 0.000 0.930 125 K CB -0.055 32.473 32.500 0.046 0.000 0.716 125 K HN 0.280 nan 8.250 nan 0.000 0.444 126 N N -0.945 117.753 118.700 -0.003 0.000 2.503 126 N HA 0.079 4.818 4.740 -0.001 0.000 0.210 126 N C -0.141 175.365 175.510 -0.006 0.000 1.077 126 N CA -0.019 53.029 53.050 -0.002 0.000 0.855 126 N CB 0.424 38.909 38.487 -0.004 0.000 1.323 126 N HN 0.078 nan 8.380 nan 0.000 0.452 127 M N 1.568 121.159 119.600 -0.016 0.000 2.429 127 M HA 0.089 4.569 4.480 -0.001 0.000 0.334 127 M C 0.308 176.595 176.300 -0.020 0.000 1.560 127 M CA 0.634 55.923 55.300 -0.018 0.000 1.291 127 M CB 0.005 32.589 32.600 -0.027 0.000 1.754 127 M HN 0.162 nan 8.290 nan 0.000 0.456 128 N N 0.885 119.578 118.700 -0.012 0.000 2.028 128 N HA 0.138 4.878 4.740 -0.001 0.000 0.230 128 N C -0.444 175.063 175.510 -0.005 0.000 1.354 128 N CA -0.245 52.801 53.050 -0.007 0.000 0.855 128 N CB 0.998 39.489 38.487 0.006 0.000 1.111 128 N HN 0.475 nan 8.380 nan 0.000 0.480 129 R N 1.269 121.766 120.500 -0.006 0.000 2.340 129 R HA 0.282 4.621 4.340 -0.001 0.000 0.300 129 R C -0.500 175.774 176.300 -0.043 0.000 1.069 129 R CA -0.302 55.798 56.100 0.001 0.000 0.984 129 R CB 1.779 32.088 30.300 0.015 0.000 1.003 129 R HN -0.126 nan 8.270 nan 0.000 0.459 130 V N 6.222 126.097 119.914 -0.066 0.000 2.397 130 V HA -0.017 4.102 4.120 -0.001 0.000 0.262 130 V C 1.298 177.276 176.094 -0.193 0.000 1.047 130 V CA 0.372 62.532 62.300 -0.234 0.000 1.003 130 V CB 0.349 31.833 31.823 -0.565 0.000 1.037 130 V HN 0.739 nan 8.190 nan 0.000 0.480 131 L N 3.337 124.471 121.223 -0.147 0.000 2.270 131 L HA 0.297 4.637 4.340 -0.001 0.000 0.210 131 L C 1.021 177.852 176.870 -0.065 0.000 1.104 131 L CA 0.970 55.775 54.840 -0.058 0.000 0.804 131 L CB 0.102 42.158 42.059 -0.006 0.000 0.937 131 L HN 0.608 nan 8.230 nan 0.000 0.450 132 E N -0.712 119.393 120.200 -0.159 0.000 2.388 132 E HA 0.357 4.707 4.350 -0.001 0.000 0.282 132 E C -1.866 174.583 176.600 -0.252 0.000 1.026 132 E CA -0.280 56.035 56.400 -0.143 0.000 0.820 132 E CB 2.972 32.641 29.700 -0.053 0.000 1.226 132 E HN -0.299 nan 8.360 nan 0.000 0.432 133 V N 3.335 123.112 119.914 -0.229 0.000 2.525 133 V HA 0.393 4.513 4.120 -0.001 0.000 0.299 133 V C -0.328 175.596 176.094 -0.283 0.000 1.034 133 V CA -0.907 61.234 62.300 -0.266 0.000 0.863 133 V CB 1.759 33.495 31.823 -0.146 0.000 0.999 133 V HN 0.519 nan 8.190 nan 0.000 0.423 134 N N 3.334 121.721 118.700 -0.520 0.000 2.511 134 N HA 0.284 5.023 4.740 -0.001 0.000 0.249 134 N C 0.658 175.977 175.510 -0.319 0.000 0.971 134 N CA -0.211 52.550 53.050 -0.481 0.000 0.938 134 N CB 2.236 40.189 38.487 -0.889 0.000 1.131 134 N HN 0.425 nan 8.380 nan 0.000 0.505 135 V N 3.302 123.121 119.914 -0.158 0.000 2.453 135 V HA -0.193 3.926 4.120 -0.001 0.000 0.247 135 V C 2.161 178.211 176.094 -0.072 0.000 1.048 135 V CA 1.770 64.010 62.300 -0.099 0.000 1.049 135 V CB -0.535 31.252 31.823 -0.061 0.000 0.672 135 V HN 0.745 nan 8.190 nan 0.000 0.457 136 E N 1.493 121.662 120.200 -0.051 0.000 2.299 136 E HA 0.019 4.369 4.350 -0.001 0.000 0.193 136 E C 2.126 178.727 176.600 0.003 0.000 0.998 136 E CA 1.025 57.411 56.400 -0.024 0.000 0.851 136 E CB -0.390 29.303 29.700 -0.012 0.000 0.795 136 E HN 0.466 nan 8.360 nan 0.000 0.492 137 G N 1.191 110.017 108.800 0.042 0.000 2.623 137 G HA2 0.142 4.102 3.960 -0.001 0.000 0.214 137 G HA3 0.142 4.102 3.960 -0.001 0.000 0.214 137 G C 0.863 175.865 174.900 0.170 0.000 1.138 137 G CA 0.068 45.283 45.100 0.193 0.000 0.794 137 G HN 0.604 nan 8.290 nan 0.000 0.535 138 A N -1.320 121.508 122.820 0.014 0.000 2.362 138 A HA 0.035 4.355 4.320 -0.001 0.000 0.290 138 A C 0.104 177.774 177.584 0.143 0.000 1.441 138 A CA 1.411 53.450 52.037 0.002 0.000 0.743 138 A CB -2.447 16.541 19.000 -0.019 0.000 1.125 138 A HN 1.915 nan 8.150 nan 0.000 0.378 139 Y N -3.015 117.310 120.300 0.041 0.000 2.764 139 Y HA 0.720 5.269 4.550 -0.001 0.000 0.331 139 Y C -0.214 175.679 175.900 -0.011 0.000 1.280 139 Y CA -1.390 56.768 58.100 0.096 0.000 1.065 139 Y CB 0.242 38.826 38.460 0.207 0.000 1.319 139 Y HN 1.445 nan 8.280 nan 0.000 0.453 140 C N 0.004 119.352 119.300 0.081 0.000 3.082 140 C HA 0.868 5.328 4.460 -0.001 0.000 0.324 140 C C -1.357 173.551 174.990 -0.136 0.000 1.210 140 C CA -0.948 57.996 59.018 -0.125 0.000 1.366 140 C CB 1.040 28.678 27.740 -0.169 0.000 1.756 140 C HN 0.885 nan 8.230 nan 0.000 0.485 141 V N 2.358 122.134 119.914 -0.231 0.000 2.427 141 V HA 0.730 4.849 4.120 -0.001 0.000 0.286 141 V C -0.030 175.924 176.094 -0.233 0.000 1.034 141 V CA -0.287 61.815 62.300 -0.329 0.000 0.893 141 V CB 1.336 32.942 31.823 -0.360 0.000 0.982 141 V HN 0.881 nan 8.190 nan 0.000 0.452 142 V N 4.049 123.837 119.914 -0.211 0.000 2.735 142 V HA 0.447 4.567 4.120 -0.001 0.000 0.310 142 V C -0.039 175.987 176.094 -0.114 0.000 1.061 142 V CA -0.577 61.623 62.300 -0.166 0.000 0.913 142 V CB 2.284 33.995 31.823 -0.186 0.000 1.005 142 V HN 0.952 nan 8.190 nan 0.000 0.428 143 E N 4.878 125.026 120.200 -0.087 0.000 2.280 143 E HA 0.296 4.645 4.350 -0.001 0.000 0.264 143 E C -1.781 174.772 176.600 -0.078 0.000 1.064 143 E CA -1.662 54.702 56.400 -0.060 0.000 0.900 143 E CB 1.550 31.229 29.700 -0.036 0.000 1.123 143 E HN 0.417 nan 8.360 nan 0.000 0.418 144 P HA -0.126 nan 4.420 nan 0.000 0.218 144 P C 1.061 178.316 177.300 -0.076 0.000 1.148 144 P CA 1.105 64.156 63.100 -0.081 0.000 0.822 144 P CB 0.135 31.787 31.700 -0.079 0.000 0.784 145 G N -0.698 108.067 108.800 -0.058 0.000 2.534 145 G HA2 -0.067 3.893 3.960 -0.001 0.000 0.217 145 G HA3 -0.067 3.893 3.960 -0.001 0.000 0.217 145 G C 0.375 175.250 174.900 -0.041 0.000 1.128 145 G CA 0.022 45.098 45.100 -0.041 0.000 0.784 145 G HN 0.174 nan 8.290 nan 0.000 0.542 146 V N 2.803 122.677 119.914 -0.067 0.000 2.446 146 V HA 0.218 4.337 4.120 -0.001 0.000 0.276 146 V C 1.169 177.194 176.094 -0.114 0.000 1.030 146 V CA -0.028 62.228 62.300 -0.074 0.000 1.033 146 V CB 0.002 31.759 31.823 -0.109 0.000 0.993 146 V HN 0.405 nan 8.190 nan 0.000 0.477 147 T N 2.166 116.691 114.554 -0.047 0.000 2.729 147 T HA 0.209 4.558 4.350 -0.001 0.000 0.298 147 T C 0.928 175.565 174.700 -0.104 0.000 1.013 147 T CA -0.009 62.064 62.100 -0.044 0.000 0.957 147 T CB 0.422 69.358 68.868 0.114 0.000 1.130 147 T HN 0.384 nan 8.240 nan 0.000 0.526 148 Y N -0.771 119.592 120.300 0.104 0.000 2.263 148 Y HA 0.026 4.576 4.550 -0.001 0.000 0.292 148 Y C 2.850 178.831 175.900 0.134 0.000 1.130 148 Y CA 1.627 59.777 58.100 0.084 0.000 1.179 148 Y CB -0.820 37.679 38.460 0.065 0.000 0.998 148 Y HN 0.837 nan 8.280 nan 0.000 0.532 149 H N -0.104 119.112 119.070 0.243 0.000 2.299 149 H HA -0.141 4.414 4.556 -0.001 0.000 0.302 149 H C 1.878 177.324 175.328 0.196 0.000 1.078 149 H CA 1.972 58.158 56.048 0.230 0.000 1.323 149 H CB -0.166 29.753 29.762 0.262 0.000 1.381 149 H HN 0.119 nan 8.280 nan 0.000 0.498 150 D N 0.120 120.681 120.400 0.269 0.000 2.160 150 D HA -0.203 4.437 4.640 -0.001 0.000 0.189 150 D C 2.290 178.668 176.300 0.130 0.000 1.003 150 D CA 1.442 55.540 54.000 0.162 0.000 0.846 150 D CB -0.600 40.257 40.800 0.096 0.000 0.949 150 D HN 0.255 nan 8.370 nan 0.000 0.446 151 L N 0.540 121.820 121.223 0.095 0.000 2.012 151 L HA -0.173 4.167 4.340 -0.001 0.000 0.210 151 L C 2.330 179.272 176.870 0.119 0.000 1.073 151 L CA 1.859 56.741 54.840 0.070 0.000 0.748 151 L CB -0.787 41.276 42.059 0.008 0.000 0.891 151 L HN 0.244 nan 8.230 nan 0.000 0.431 152 H N -0.881 118.201 119.070 0.019 0.000 2.352 152 H HA -0.167 4.389 4.556 -0.001 0.000 0.299 152 H C 1.639 176.942 175.328 -0.042 0.000 1.097 152 H CA 1.783 57.809 56.048 -0.038 0.000 1.311 152 H CB 0.248 29.931 29.762 -0.131 0.000 1.377 152 H HN 0.395 nan 8.280 nan 0.000 0.504 153 N N 0.056 118.696 118.700 -0.101 0.000 2.396 153 N HA -0.134 4.606 4.740 -0.001 0.000 0.180 153 N C 1.614 177.091 175.510 -0.056 0.000 1.028 153 N CA 0.479 53.455 53.050 -0.123 0.000 0.893 153 N CB -0.499 37.983 38.487 -0.009 0.000 0.967 153 N HN 0.448 nan 8.380 nan 0.000 0.440 154 Y N 1.217 121.462 120.300 -0.092 0.000 2.242 154 Y HA 0.007 4.557 4.550 -0.001 0.000 0.291 154 Y C 2.052 177.891 175.900 -0.102 0.000 1.137 154 Y CA 1.095 59.150 58.100 -0.075 0.000 1.181 154 Y CB -0.155 38.275 38.460 -0.050 0.000 0.989 154 Y HN -0.019 nan 8.280 nan 0.000 0.527 155 L N -0.222 121.060 121.223 0.098 0.000 2.027 155 L HA -0.179 4.160 4.340 -0.001 0.000 0.206 155 L C 2.297 179.107 176.870 -0.100 0.000 1.074 155 L CA 1.719 56.575 54.840 0.027 0.000 0.745 155 L CB -0.609 41.439 42.059 -0.019 0.000 0.898 155 L HN 0.273 nan 8.230 nan 0.000 0.433 156 E N -0.031 120.037 120.200 -0.220 0.000 2.208 156 E HA -0.104 4.245 4.350 -0.001 0.000 0.193 156 E C 2.075 178.584 176.600 -0.152 0.000 0.988 156 E CA 0.977 57.251 56.400 -0.211 0.000 0.828 156 E CB 0.131 29.647 29.700 -0.306 0.000 0.763 156 E HN 0.397 nan 8.360 nan 0.000 0.478 157 A N 1.008 123.726 122.820 -0.170 0.000 2.168 157 A HA -0.086 4.234 4.320 -0.001 0.000 0.215 157 A C 1.389 178.868 177.584 -0.176 0.000 1.152 157 A CA 0.963 52.900 52.037 -0.168 0.000 0.716 157 A CB -0.151 18.731 19.000 -0.198 0.000 0.794 157 A HN 0.090 nan 8.150 nan 0.000 0.465 158 N N -0.822 117.776 118.700 -0.170 0.000 2.177 158 N HA 0.097 4.836 4.740 -0.001 0.000 0.218 158 N C -0.283 175.186 175.510 -0.068 0.000 1.182 158 N CA 0.026 52.995 53.050 -0.134 0.000 0.882 158 N CB 0.459 38.849 38.487 -0.162 0.000 1.052 158 N HN 0.291 nan 8.380 nan 0.000 0.519 159 N N -0.424 118.239 118.700 -0.061 0.000 2.753 159 N HA -0.172 4.568 4.740 -0.001 0.000 0.251 159 N C 0.209 175.714 175.510 -0.009 0.000 1.097 159 N CA 0.535 53.565 53.050 -0.033 0.000 0.786 159 N CB -1.468 37.002 38.487 -0.028 0.000 1.137 159 N HN 0.323 nan 8.380 nan 0.000 0.566 160 L N -0.444 120.778 121.223 -0.002 0.000 2.395 160 L HA 0.063 4.403 4.340 -0.001 0.000 0.218 160 L C 2.413 179.316 176.870 0.055 0.000 1.130 160 L CA 0.359 55.214 54.840 0.026 0.000 0.826 160 L CB -0.206 41.880 42.059 0.045 0.000 0.941 160 L HN 0.206 nan 8.230 nan 0.000 0.451 161 R N 0.862 121.384 120.500 0.036 0.000 2.211 161 R HA -0.196 4.144 4.340 -0.001 0.000 0.240 161 R C 0.193 176.589 176.300 0.159 0.000 1.144 161 R CA 1.420 57.559 56.100 0.066 0.000 0.992 161 R CB -0.162 30.130 30.300 -0.014 0.000 0.869 161 R HN 0.335 nan 8.270 nan 0.000 0.462 162 D N -0.630 119.838 120.400 0.114 0.000 2.463 162 D HA 0.123 4.763 4.640 -0.001 0.000 0.224 162 D C 0.419 176.767 176.300 0.080 0.000 1.174 162 D CA 0.204 54.278 54.000 0.124 0.000 0.829 162 D CB 0.674 41.516 40.800 0.070 0.000 0.993 162 D HN 0.186 nan 8.370 nan 0.000 0.497 163 K N -1.014 119.431 120.400 0.075 0.000 2.598 163 K HA 0.310 4.630 4.320 -0.001 0.000 0.214 163 K C -0.227 176.355 176.600 -0.031 0.000 1.575 163 K CA 0.186 56.474 56.287 0.001 0.000 1.042 163 K CB 1.672 34.167 32.500 -0.008 0.000 1.338 163 K HN -0.097 nan 8.250 nan 0.000 0.590 164 L N 0.847 122.104 121.223 0.057 0.000 2.493 164 L HA 0.482 4.821 4.340 -0.001 0.000 0.265 164 L C -1.577 175.460 176.870 0.277 0.000 0.954 164 L CA -0.929 53.935 54.840 0.039 0.000 0.844 164 L CB 1.510 43.575 42.059 0.009 0.000 1.302 164 L HN -0.104 nan 8.230 nan 0.000 0.405 165 W N 2.937 124.162 121.300 -0.125 0.000 2.570 165 W HA 0.691 5.350 4.660 -0.001 0.000 0.337 165 W C 0.070 176.528 176.519 -0.101 0.000 1.067 165 W CA -0.999 56.281 57.345 -0.108 0.000 1.229 165 W CB 0.923 30.298 29.460 -0.143 0.000 1.355 165 W HN 0.277 nan 8.180 nan 0.000 0.555 166 L N 1.446 122.767 121.223 0.165 0.000 2.682 166 L HA 0.462 4.802 4.340 -0.001 0.000 0.209 166 L C 0.150 177.088 176.870 0.114 0.000 1.195 166 L CA -0.407 54.505 54.840 0.119 0.000 0.869 166 L CB 0.338 42.470 42.059 0.122 0.000 1.599 166 L HN 0.250 nan 8.230 nan 0.000 0.518 167 D N 0.049 120.527 120.400 0.129 0.000 2.891 167 D HA 0.433 5.073 4.640 -0.001 0.000 0.224 167 D C -1.615 174.742 176.300 0.095 0.000 1.321 167 D CA -0.145 53.946 54.000 0.151 0.000 0.929 167 D CB 2.150 43.111 40.800 0.269 0.000 1.551 167 D HN 0.279 nan 8.370 nan 0.000 0.574 168 V N 1.346 121.242 119.914 -0.030 0.000 2.656 168 V HA 0.690 4.810 4.120 -0.001 0.000 0.307 168 V C -2.630 173.327 176.094 -0.228 0.000 1.051 168 V CA -2.022 60.084 62.300 -0.323 0.000 0.893 168 V CB 1.533 33.186 31.823 -0.284 0.000 0.999 168 V HN 0.305 nan 8.190 nan 0.000 0.426 169 P HA 0.162 nan 4.420 nan 0.000 0.281 169 P C 0.228 177.543 177.300 0.024 0.000 1.274 169 P CA -0.003 63.012 63.100 -0.140 0.000 0.794 169 P CB 0.440 32.086 31.700 -0.090 0.000 1.201 170 D N -1.339 119.146 120.400 0.141 0.000 2.309 170 D HA -0.019 4.620 4.640 -0.001 0.000 0.212 170 D C 0.474 176.782 176.300 0.014 0.000 0.968 170 D CA 1.306 55.381 54.000 0.126 0.000 0.882 170 D CB -0.260 40.650 40.800 0.185 0.000 0.918 170 D HN 0.205 nan 8.370 nan 0.000 0.503 171 L N -3.515 117.701 121.223 -0.011 0.000 2.469 171 L HA 0.592 4.931 4.340 -0.001 0.000 0.256 171 L C 1.144 177.999 176.870 -0.026 0.000 1.006 171 L CA -1.114 53.692 54.840 -0.057 0.000 0.832 171 L CB 1.927 44.019 42.059 0.055 0.000 1.421 171 L HN -0.342 nan 8.230 nan 0.000 0.410 172 G N -0.597 108.112 108.800 -0.153 0.000 3.088 172 G HA2 0.215 4.174 3.960 -0.001 0.000 0.217 172 G HA3 0.215 4.174 3.960 -0.001 0.000 0.217 172 G C 1.035 176.168 174.900 0.387 0.000 1.159 172 G CA 0.549 45.689 45.100 0.066 0.000 0.760 172 G HN 0.871 nan 8.290 nan 0.000 0.550 173 G N 0.855 109.966 108.800 0.517 0.000 2.421 173 G HA2 0.241 4.200 3.960 -0.001 0.000 0.217 173 G HA3 0.241 4.200 3.960 -0.001 0.000 0.217 173 G C 1.087 176.164 174.900 0.296 0.000 1.143 173 G CA 0.535 45.851 45.100 0.360 0.000 0.784 173 G HN 0.583 nan 8.290 nan 0.000 0.541 174 G N 0.151 109.217 108.800 0.444 0.000 2.484 174 G HA2 0.319 4.279 3.960 -0.001 0.000 0.235 174 G HA3 0.319 4.279 3.960 -0.001 0.000 0.235 174 G C 0.319 175.319 174.900 0.166 0.000 1.282 174 G CA 0.412 45.749 45.100 0.395 0.000 0.857 174 G HN 0.318 nan 8.290 nan 0.000 0.571 175 S N 0.242 115.962 115.700 0.033 0.000 2.562 175 S HA 0.067 4.537 4.470 -0.001 0.000 0.281 175 S C 1.619 175.971 174.600 -0.413 0.000 1.333 175 S CA -0.614 57.491 58.200 -0.159 0.000 1.052 175 S CB 1.085 64.239 63.200 -0.078 0.000 0.884 175 S HN 0.397 nan 8.310 nan 0.000 0.506 176 V N 5.375 124.916 119.914 -0.620 0.000 2.295 176 V HA -0.135 3.984 4.120 -0.001 0.000 0.246 176 V C 2.199 178.121 176.094 -0.287 0.000 1.049 176 V CA 2.152 64.027 62.300 -0.709 0.000 1.024 176 V CB -0.869 30.628 31.823 -0.543 0.000 0.648 176 V HN 0.900 nan 8.190 nan 0.000 0.447 177 L N 1.204 122.309 121.223 -0.196 0.000 2.068 177 L HA 0.260 4.600 4.340 -0.001 0.000 0.204 177 L C 2.352 179.192 176.870 -0.050 0.000 1.076 177 L CA 2.450 57.227 54.840 -0.105 0.000 0.753 177 L CB -1.936 40.059 42.059 -0.107 0.000 0.910 177 L HN 0.164 nan 8.230 nan 0.000 0.439 178 G N 0.297 109.061 108.800 -0.061 0.000 2.505 178 G HA2 -0.408 3.552 3.960 -0.001 0.000 0.220 178 G HA3 -0.408 3.552 3.960 -0.001 0.000 0.220 178 G C 1.641 176.549 174.900 0.013 0.000 1.145 178 G CA 1.100 46.178 45.100 -0.036 0.000 0.761 178 G HN 0.579 nan 8.290 nan 0.000 0.571 179 N N 1.009 119.748 118.700 0.066 0.000 2.106 179 N HA -0.073 4.666 4.740 -0.001 0.000 0.188 179 N C 2.628 178.241 175.510 0.171 0.000 1.029 179 N CA 1.331 54.476 53.050 0.158 0.000 0.848 179 N CB -0.232 38.441 38.487 0.309 0.000 1.007 179 N HN 0.271 nan 8.380 nan 0.000 0.423 180 A N 1.097 124.013 122.820 0.159 0.000 1.902 180 A HA -0.123 4.197 4.320 -0.001 0.000 0.217 180 A C 2.466 180.237 177.584 0.313 0.000 1.181 180 A CA 2.058 54.237 52.037 0.238 0.000 0.623 180 A CB -1.013 18.061 19.000 0.123 0.000 0.818 180 A HN 0.280 nan 8.150 nan 0.000 0.443 181 V N -2.358 117.659 119.914 0.172 0.000 2.343 181 V HA -0.178 3.942 4.120 -0.001 0.000 0.247 181 V C 1.728 177.752 176.094 -0.116 0.000 1.051 181 V CA 2.187 64.523 62.300 0.060 0.000 1.036 181 V CB -0.962 30.846 31.823 -0.026 0.000 0.654 181 V HN 0.427 nan 8.190 nan 0.000 0.451 182 E N 0.246 120.400 120.200 -0.077 0.000 2.515 182 E HA 0.002 4.351 4.350 -0.001 0.000 0.201 182 E C 0.954 177.461 176.600 -0.155 0.000 1.071 182 E CA 0.251 56.556 56.400 -0.158 0.000 0.880 182 E CB -0.372 29.245 29.700 -0.139 0.000 0.828 182 E HN 0.664 nan 8.360 nan 0.000 0.540 183 R N -1.085 119.389 120.500 -0.042 0.000 3.651 183 R HA -0.157 4.183 4.340 -0.001 0.000 0.292 183 R C 0.760 177.155 176.300 0.158 0.000 1.161 183 R CA 0.498 56.627 56.100 0.049 0.000 0.787 183 R CB -2.171 28.051 30.300 -0.130 0.000 1.249 183 R HN 0.226 nan 8.270 nan 0.000 0.476 184 G N -0.239 108.661 108.800 0.166 0.000 2.611 184 G HA2 0.457 4.417 3.960 -0.001 0.000 0.273 184 G HA3 0.457 4.417 3.960 -0.001 0.000 0.273 184 G C -0.275 174.630 174.900 0.009 0.000 1.305 184 G CA -0.317 44.884 45.100 0.168 0.000 1.010 184 G HN 0.032 nan 8.290 nan 0.000 0.509 185 V N -0.234 119.553 119.914 -0.212 0.000 2.623 185 V HA 0.680 4.799 4.120 -0.001 0.000 0.304 185 V C 0.729 176.283 176.094 -0.900 0.000 1.054 185 V CA 0.051 62.012 62.300 -0.565 0.000 0.882 185 V CB 1.410 32.972 31.823 -0.434 0.000 1.002 185 V HN 1.124 nan 8.190 nan 0.000 0.424 186 G N 2.323 110.436 108.800 -1.146 0.000 2.990 186 G HA2 0.539 4.499 3.960 -0.001 0.000 0.208 186 G HA3 0.539 4.499 3.960 -0.001 0.000 0.208 186 G C -0.814 173.547 174.900 -0.897 0.000 1.334 186 G CA -0.121 44.406 45.100 -0.956 0.000 1.024 186 G HN 0.576 nan 8.290 nan 0.000 0.574 187 Y N -0.388 119.900 120.300 -0.020 0.000 2.779 187 Y HA 0.289 4.839 4.550 -0.001 0.000 0.251 187 Y C 1.325 177.276 175.900 0.085 0.000 1.145 187 Y CA -0.362 57.749 58.100 0.018 0.000 1.201 187 Y CB 0.103 38.567 38.460 0.007 0.000 1.281 187 Y HN 0.603 nan 8.280 nan 0.000 0.563 188 T N -3.793 110.861 114.554 0.167 0.000 2.910 188 T HA 0.323 4.673 4.350 -0.001 0.000 0.279 188 T C -1.895 172.834 174.700 0.048 0.000 0.989 188 T CA -2.258 59.889 62.100 0.078 0.000 0.968 188 T CB 1.667 70.543 68.868 0.013 0.000 1.135 188 T HN -0.306 nan 8.240 nan 0.000 0.562 189 P HA -0.067 nan 4.420 nan 0.000 0.220 189 P C 0.259 177.698 177.300 0.232 0.000 1.144 189 P CA 1.043 64.185 63.100 0.070 0.000 0.800 189 P CB -0.191 31.518 31.700 0.016 0.000 0.772 190 Y N -1.131 119.163 120.300 -0.011 0.000 2.537 190 Y HA 0.291 4.841 4.550 -0.001 0.000 0.303 190 Y C 2.207 178.159 175.900 0.087 0.000 1.176 190 Y CA -0.468 57.671 58.100 0.064 0.000 1.273 190 Y CB -1.169 37.345 38.460 0.089 0.000 1.110 190 Y HN -0.065 nan 8.280 nan 0.000 0.518 191 G N -0.569 108.309 108.800 0.130 0.000 2.432 191 G HA2 -0.238 3.722 3.960 -0.001 0.000 0.219 191 G HA3 -0.238 3.722 3.960 -0.001 0.000 0.219 191 G C 0.746 175.562 174.900 -0.139 0.000 1.135 191 G CA 0.543 45.626 45.100 -0.028 0.000 0.767 191 G HN 0.245 nan 8.290 nan 0.000 0.550 192 D N 0.030 120.412 120.400 -0.028 0.000 2.498 192 D HA 0.107 4.747 4.640 -0.001 0.000 0.229 192 D C 1.235 177.597 176.300 0.102 0.000 1.188 192 D CA -0.242 53.753 54.000 -0.008 0.000 1.028 192 D CB -0.451 40.369 40.800 0.033 0.000 1.087 192 D HN 0.495 nan 8.370 nan 0.000 0.510 193 H N 1.736 120.842 119.070 0.059 0.000 2.265 193 H HA -0.212 4.344 4.556 -0.001 0.000 0.293 193 H C 1.855 177.235 175.328 0.087 0.000 1.089 193 H CA 1.403 57.500 56.048 0.082 0.000 1.244 193 H CB 0.024 29.855 29.762 0.115 0.000 1.355 193 H HN 0.576 nan 8.280 nan 0.000 0.485 194 W N 1.373 122.752 121.300 0.132 0.000 2.335 194 W HA -0.244 4.416 4.660 -0.001 0.000 0.311 194 W C 1.731 178.303 176.519 0.088 0.000 1.213 194 W CA 1.009 58.394 57.345 0.067 0.000 1.274 194 W CB -0.211 29.268 29.460 0.032 0.000 1.148 194 W HN 0.208 nan 8.180 nan 0.000 0.498 195 M N 0.419 120.024 119.600 0.008 0.000 2.426 195 M HA -0.216 4.263 4.480 -0.001 0.000 0.261 195 M C 1.470 177.536 176.300 -0.389 0.000 1.068 195 M CA 1.323 56.543 55.300 -0.133 0.000 1.066 195 M CB -1.031 31.577 32.600 0.013 0.000 1.399 195 M HN 0.010 nan 8.290 nan 0.000 0.449 196 M N -1.060 118.318 119.600 -0.371 0.000 2.431 196 M HA 0.068 4.548 4.480 -0.001 0.000 0.237 196 M C 0.366 176.085 176.300 -0.968 0.000 1.130 196 M CA 0.070 55.060 55.300 -0.516 0.000 1.002 196 M CB -1.645 30.895 32.600 -0.100 0.000 1.524 196 M HN 0.284 nan 8.290 nan 0.000 0.482 197 H N -1.547 116.913 119.070 -1.016 0.000 2.505 197 H HA 0.604 5.160 4.556 -0.001 0.000 0.351 197 H C -0.666 174.020 175.328 -1.070 0.000 1.151 197 H CA -0.535 54.936 56.048 -0.962 0.000 1.339 197 H CB 1.121 30.298 29.762 -0.974 0.000 1.483 197 H HN 0.002 nan 8.280 nan 0.000 0.558 198 S N 2.132 117.322 115.700 -0.850 0.000 2.562 198 S HA 0.504 4.973 4.470 -0.001 0.000 0.274 198 S C -0.516 174.010 174.600 -0.124 0.000 1.160 198 S CA -0.069 57.789 58.200 -0.570 0.000 0.933 198 S CB 0.448 63.415 63.200 -0.389 0.000 1.100 198 S HN 1.794 nan 8.310 nan 0.000 0.468 199 G N 4.548 113.390 108.800 0.069 0.000 2.636 199 G HA2 -0.167 3.793 3.960 -0.001 0.000 0.261 199 G HA3 -0.167 3.793 3.960 -0.001 0.000 0.261 199 G C -0.491 174.557 174.900 0.247 0.000 1.018 199 G CA 0.042 45.299 45.100 0.261 0.000 1.308 199 G HN 0.712 nan 8.290 nan 0.000 0.514 200 M N 0.675 120.457 119.600 0.302 0.000 2.318 200 M HA 0.444 4.923 4.480 -0.001 0.000 0.347 200 M C 0.374 176.849 176.300 0.292 0.000 1.175 200 M CA -0.451 54.970 55.300 0.202 0.000 1.075 200 M CB 1.783 34.418 32.600 0.059 0.000 1.614 200 M HN 0.525 nan 8.290 nan 0.000 0.456 201 E N 2.460 122.808 120.200 0.247 0.000 2.151 201 E HA 0.576 4.925 4.350 -0.001 0.000 0.275 201 E C -1.811 174.741 176.600 -0.079 0.000 0.936 201 E CA -0.648 55.811 56.400 0.097 0.000 0.777 201 E CB 1.448 31.243 29.700 0.158 0.000 1.108 201 E HN 0.468 nan 8.360 nan 0.000 0.401 202 V N 4.412 124.218 119.914 -0.179 0.000 2.709 202 V HA 0.271 4.391 4.120 -0.001 0.000 0.308 202 V C -0.430 175.551 176.094 -0.189 0.000 1.062 202 V CA -0.991 61.135 62.300 -0.290 0.000 0.901 202 V CB 1.937 33.368 31.823 -0.653 0.000 1.003 202 V HN 0.528 nan 8.190 nan 0.000 0.425 203 V N 5.734 125.558 119.914 -0.149 0.000 2.432 203 V HA 0.327 4.447 4.120 -0.001 0.000 0.271 203 V C 0.377 176.425 176.094 -0.076 0.000 1.046 203 V CA -0.214 62.029 62.300 -0.096 0.000 0.945 203 V CB 1.040 32.816 31.823 -0.077 0.000 0.992 203 V HN 0.607 nan 8.190 nan 0.000 0.471 204 L N 3.537 124.736 121.223 -0.039 0.000 2.475 204 L HA 0.305 4.644 4.340 -0.001 0.000 0.253 204 L C 1.884 178.757 176.870 0.005 0.000 1.198 204 L CA 0.046 54.890 54.840 0.008 0.000 0.814 204 L CB 0.611 42.688 42.059 0.031 0.000 1.134 204 L HN 0.739 nan 8.230 nan 0.000 0.478 205 A N 1.140 123.971 122.820 0.019 0.000 1.972 205 A HA -0.198 4.121 4.320 -0.001 0.000 0.219 205 A C 1.686 179.280 177.584 0.018 0.000 1.169 205 A CA 1.877 53.922 52.037 0.012 0.000 0.635 205 A CB -0.760 18.246 19.000 0.010 0.000 0.810 205 A HN 0.941 nan 8.150 nan 0.000 0.446 206 N N -1.706 117.004 118.700 0.017 0.000 2.409 206 N HA 0.245 4.985 4.740 -0.001 0.000 0.179 206 N C 1.134 176.650 175.510 0.011 0.000 1.032 206 N CA 1.810 54.870 53.050 0.016 0.000 0.898 206 N CB -0.243 38.252 38.487 0.014 0.000 0.971 206 N HN 0.731 nan 8.380 nan 0.000 0.441 207 G N -0.853 107.949 108.800 0.004 0.000 2.380 207 G HA2 -0.220 3.740 3.960 -0.001 0.000 0.197 207 G HA3 -0.220 3.740 3.960 -0.001 0.000 0.197 207 G C -0.471 174.420 174.900 -0.014 0.000 1.001 207 G CA -0.183 44.914 45.100 -0.005 0.000 0.668 207 G HN 0.405 nan 8.290 nan 0.000 0.483 208 E N 0.663 120.857 120.200 -0.010 0.000 2.373 208 E HA 0.539 4.889 4.350 -0.001 0.000 0.267 208 E C 0.263 176.847 176.600 -0.027 0.000 1.032 208 E CA -0.219 56.172 56.400 -0.016 0.000 0.889 208 E CB 1.338 31.035 29.700 -0.006 0.000 0.984 208 E HN 0.316 nan 8.360 nan 0.000 0.425 209 L N 3.592 124.791 121.223 -0.041 0.000 2.375 209 L HA 0.450 4.789 4.340 -0.001 0.000 0.271 209 L C -0.712 176.121 176.870 -0.062 0.000 1.107 209 L CA -0.497 54.306 54.840 -0.061 0.000 0.806 209 L CB 0.721 42.735 42.059 -0.074 0.000 1.146 209 L HN 0.428 nan 8.230 nan 0.000 0.447 210 L N 4.123 125.298 121.223 -0.080 0.000 2.455 210 L HA 0.530 4.870 4.340 -0.001 0.000 0.264 210 L C -1.118 175.697 176.870 -0.091 0.000 0.968 210 L CA -0.382 54.419 54.840 -0.064 0.000 0.827 210 L CB 1.549 43.588 42.059 -0.033 0.000 1.317 210 L HN 0.561 nan 8.230 nan 0.000 0.407 211 R N 1.679 122.131 120.500 -0.080 0.000 2.686 211 R HA 0.669 5.009 4.340 -0.001 0.000 0.286 211 R C -0.750 175.592 176.300 0.070 0.000 0.969 211 R CA -0.590 55.490 56.100 -0.032 0.000 0.898 211 R CB 1.558 31.746 30.300 -0.186 0.000 1.183 211 R HN 0.618 nan 8.270 nan 0.000 0.456 212 T N -1.377 113.273 114.554 0.160 0.000 2.897 212 T HA 0.640 4.989 4.350 -0.001 0.000 0.278 212 T C 0.891 175.733 174.700 0.236 0.000 0.981 212 T CA 0.344 62.568 62.100 0.206 0.000 0.973 212 T CB 1.434 70.449 68.868 0.245 0.000 1.092 212 T HN 0.974 nan 8.240 nan 0.000 0.543 213 G N 1.145 110.094 108.800 0.248 0.000 2.547 213 G HA2 -0.243 3.717 3.960 -0.001 0.000 0.271 213 G HA3 -0.243 3.717 3.960 -0.001 0.000 0.271 213 G C 0.819 175.836 174.900 0.196 0.000 1.209 213 G CA 0.213 45.445 45.100 0.219 0.000 0.959 213 G HN 0.821 nan 8.290 nan 0.000 0.563 214 M N 2.053 121.761 119.600 0.180 0.000 2.686 214 M HA 0.075 4.555 4.480 -0.001 0.000 0.246 214 M C 2.575 178.959 176.300 0.141 0.000 1.096 214 M CA 1.519 56.916 55.300 0.162 0.000 1.076 214 M CB -1.072 31.623 32.600 0.158 0.000 1.504 214 M HN 0.781 nan 8.290 nan 0.000 0.524 215 G N 0.393 109.310 108.800 0.194 0.000 2.470 215 G HA2 -0.039 3.921 3.960 -0.001 0.000 0.220 215 G HA3 -0.039 3.921 3.960 -0.001 0.000 0.220 215 G C 1.514 176.438 174.900 0.040 0.000 1.121 215 G CA 0.946 46.172 45.100 0.209 0.000 0.766 215 G HN 0.552 nan 8.290 nan 0.000 0.553 216 A N -0.431 122.433 122.820 0.075 0.000 2.132 216 A HA 0.390 4.710 4.320 -0.001 0.000 0.213 216 A C 1.057 178.658 177.584 0.029 0.000 1.154 216 A CA -0.068 51.993 52.037 0.041 0.000 0.753 216 A CB 0.019 19.069 19.000 0.084 0.000 0.826 216 A HN 0.299 nan 8.150 nan 0.000 0.469 217 L N 2.807 124.058 121.223 0.047 0.000 2.407 217 L HA 0.272 4.611 4.340 -0.001 0.000 0.282 217 L C -2.353 174.518 176.870 0.002 0.000 1.110 217 L CA -2.123 52.733 54.840 0.028 0.000 0.863 217 L CB 0.324 42.410 42.059 0.045 0.000 1.207 217 L HN 0.072 nan 8.230 nan 0.000 0.454 218 P HA -0.008 nan 4.420 nan 0.000 0.266 218 P C -0.639 176.648 177.300 -0.021 0.000 1.195 218 P CA -0.267 62.812 63.100 -0.036 0.000 0.768 218 P CB 0.736 32.415 31.700 -0.034 0.000 0.838 219 D N 3.701 124.086 120.400 -0.024 0.000 2.425 219 D HA 0.152 4.792 4.640 -0.001 0.000 0.247 219 D C -1.858 174.438 176.300 -0.007 0.000 1.147 219 D CA -1.420 52.578 54.000 -0.002 0.000 0.879 219 D CB -0.454 40.353 40.800 0.011 0.000 1.179 219 D HN 0.165 nan 8.370 nan 0.000 0.456 220 P HA -0.022 nan 4.420 nan 0.000 0.263 220 P C -0.523 176.775 177.300 -0.004 0.000 1.175 220 P CA 0.230 63.327 63.100 -0.004 0.000 0.761 220 P CB 0.344 32.044 31.700 0.000 0.000 0.794 221 K N 3.584 123.980 120.400 -0.007 0.000 2.448 221 K HA 0.127 4.447 4.320 -0.001 0.000 0.278 221 K C 0.779 177.378 176.600 -0.002 0.000 1.009 221 K CA 0.263 56.546 56.287 -0.007 0.000 0.995 221 K CB 0.338 32.833 32.500 -0.009 0.000 0.917 221 K HN 0.540 nan 8.250 nan 0.000 0.481 222 R N 2.076 122.576 120.500 -0.001 0.000 2.774 222 R HA 0.303 4.642 4.340 -0.001 0.000 0.272 222 R C -2.639 173.661 176.300 0.001 0.000 1.000 222 R CA -1.953 54.148 56.100 0.002 0.000 0.906 222 R CB 0.719 31.023 30.300 0.006 0.000 1.227 222 R HN 0.179 nan 8.270 nan 0.000 0.468 223 P HA -0.166 nan 4.420 nan 0.000 0.216 223 P C 0.346 177.648 177.300 0.003 0.000 1.153 223 P CA 1.373 64.474 63.100 0.001 0.000 0.858 223 P CB 0.202 31.903 31.700 0.002 0.000 0.789 224 E N -1.259 118.944 120.200 0.006 0.000 2.268 224 E HA -0.100 4.250 4.350 -0.001 0.000 0.195 224 E C 1.579 178.183 176.600 0.008 0.000 0.995 224 E CA 1.612 58.017 56.400 0.008 0.000 0.836 224 E CB -1.028 28.679 29.700 0.012 0.000 0.763 224 E HN 0.418 nan 8.360 nan 0.000 0.491 225 T N -2.414 112.143 114.554 0.006 0.000 3.054 225 T HA 0.202 4.552 4.350 -0.001 0.000 0.255 225 T C 0.594 175.291 174.700 -0.004 0.000 1.035 225 T CA -0.430 61.672 62.100 0.003 0.000 0.941 225 T CB 0.061 68.932 68.868 0.004 0.000 1.026 225 T HN -0.159 nan 8.240 nan 0.000 0.533 226 M N 2.166 121.763 119.600 -0.004 0.000 2.260 226 M HA 0.316 4.796 4.480 -0.001 0.000 0.348 226 M C 1.716 178.011 176.300 -0.009 0.000 1.342 226 M CA 0.895 56.191 55.300 -0.008 0.000 1.040 226 M CB -0.970 31.626 32.600 -0.006 0.000 1.810 226 M HN 0.620 nan 8.290 nan 0.000 0.453 227 G N 3.058 111.850 108.800 -0.013 0.000 2.153 227 G HA2 -0.233 3.727 3.960 -0.001 0.000 0.252 227 G HA3 -0.233 3.727 3.960 -0.001 0.000 0.252 227 G C 0.052 174.944 174.900 -0.015 0.000 0.994 227 G CA -0.192 44.900 45.100 -0.013 0.000 0.698 227 G HN 0.612 nan 8.290 nan 0.000 0.521 228 L N 0.395 121.609 121.223 -0.016 0.000 2.349 228 L HA 0.272 4.612 4.340 -0.001 0.000 0.275 228 L C 1.171 178.025 176.870 -0.027 0.000 1.115 228 L CA -0.459 54.370 54.840 -0.017 0.000 0.820 228 L CB 0.734 42.784 42.059 -0.015 0.000 1.135 228 L HN 0.082 nan 8.230 nan 0.000 0.445 229 K N 5.059 125.444 120.400 -0.026 0.000 2.448 229 K HA 0.025 4.344 4.320 -0.001 0.000 0.278 229 K C -1.364 175.206 176.600 -0.049 0.000 1.009 229 K CA -1.286 54.981 56.287 -0.034 0.000 0.995 229 K CB 0.620 33.103 32.500 -0.028 0.000 0.917 229 K HN 0.371 nan 8.250 nan 0.000 0.481 230 P HA -0.266 nan 4.420 nan 0.000 0.220 230 P C 0.403 177.637 177.300 -0.109 0.000 1.155 230 P CA 1.726 64.771 63.100 -0.091 0.000 0.880 230 P CB 0.168 31.817 31.700 -0.085 0.000 0.790 231 E N -0.344 119.810 120.200 -0.077 0.000 2.118 231 E HA -0.177 4.172 4.350 -0.001 0.000 0.195 231 E C 1.303 177.875 176.600 -0.047 0.000 0.992 231 E CA 1.322 57.684 56.400 -0.063 0.000 0.804 231 E CB -0.532 29.145 29.700 -0.038 0.000 0.741 231 E HN 0.340 nan 8.360 nan 0.000 0.458 232 D N -0.003 120.374 120.400 -0.037 0.000 2.369 232 D HA 0.036 4.675 4.640 -0.001 0.000 0.211 232 D C 0.120 176.413 176.300 -0.011 0.000 1.077 232 D CA 0.107 54.103 54.000 -0.007 0.000 0.842 232 D CB 0.145 40.945 40.800 -0.000 0.000 0.947 232 D HN 0.147 nan 8.370 nan 0.000 0.509 233 Q N 1.525 121.289 119.800 -0.060 0.000 2.474 233 Q HA 0.129 4.469 4.340 -0.001 0.000 0.256 233 Q C -1.955 174.014 176.000 -0.052 0.000 1.048 233 Q CA -0.900 54.861 55.803 -0.070 0.000 0.922 233 Q CB 0.611 29.275 28.738 -0.125 0.000 1.288 233 Q HN 0.080 nan 8.270 nan 0.000 0.484 234 P HA 0.135 nan 4.420 nan 0.000 0.279 234 P C -1.371 175.964 177.300 0.059 0.000 1.282 234 P CA -0.289 62.883 63.100 0.120 0.000 0.788 234 P CB 0.503 32.270 31.700 0.112 0.000 1.139 235 W N -0.479 120.823 121.300 0.003 0.000 2.627 235 W HA 0.408 5.068 4.660 -0.001 0.000 0.339 235 W C 0.767 177.246 176.519 -0.066 0.000 1.058 235 W CA -0.193 57.118 57.345 -0.056 0.000 1.223 235 W CB 0.761 30.133 29.460 -0.147 0.000 1.389 235 W HN 0.302 nan 8.180 nan 0.000 0.541 236 S N 1.887 117.668 115.700 0.135 0.000 2.576 236 S HA 0.050 4.519 4.470 -0.001 0.000 0.272 236 S C 1.205 175.839 174.600 0.057 0.000 1.352 236 S CA -0.029 58.214 58.200 0.072 0.000 1.021 236 S CB 0.866 64.091 63.200 0.042 0.000 0.887 236 S HN 0.637 nan 8.310 nan 0.000 0.542 237 K N 1.238 121.664 120.400 0.044 0.000 2.160 237 K HA -0.100 4.219 4.320 -0.001 0.000 0.206 237 K C 1.275 177.880 176.600 0.008 0.000 1.047 237 K CA 1.508 57.818 56.287 0.039 0.000 0.930 237 K CB -0.616 31.906 32.500 0.037 0.000 0.720 237 K HN 0.673 nan 8.250 nan 0.000 0.450 238 I N 0.822 121.393 120.570 0.002 0.000 3.883 238 I HA 0.146 4.316 4.170 -0.001 0.000 0.326 238 I C 2.129 178.236 176.117 -0.017 0.000 1.283 238 I CA 0.231 61.532 61.300 0.002 0.000 1.161 238 I CB -0.775 37.246 38.000 0.034 0.000 1.012 238 I HN 0.126 nan 8.210 nan 0.000 0.421 239 A N 1.298 124.063 122.820 -0.091 0.000 1.917 239 A HA -0.214 4.105 4.320 -0.001 0.000 0.219 239 A C 1.700 179.146 177.584 -0.229 0.000 1.182 239 A CA 1.727 53.684 52.037 -0.132 0.000 0.633 239 A CB -0.997 17.919 19.000 -0.140 0.000 0.819 239 A HN 0.613 nan 8.150 nan 0.000 0.448 240 H N -1.596 117.339 119.070 -0.225 0.000 2.505 240 H HA 0.446 5.001 4.556 -0.001 0.000 0.286 240 H C 0.985 176.184 175.328 -0.215 0.000 1.072 240 H CA -0.110 55.687 56.048 -0.417 0.000 1.141 240 H CB 0.231 29.407 29.762 -0.976 0.000 1.550 240 H HN 0.403 nan 8.280 nan 0.000 0.547 241 L N -1.147 120.088 121.223 0.020 0.000 2.609 241 L HA 0.240 4.579 4.340 -0.001 0.000 0.230 241 L C -0.232 176.770 176.870 0.219 0.000 1.064 241 L CA 0.015 54.898 54.840 0.071 0.000 0.873 241 L CB 0.630 42.675 42.059 -0.022 0.000 1.139 241 L HN 0.078 nan 8.230 nan 0.000 0.490 242 F N 2.590 122.546 119.950 0.010 0.000 2.493 242 F HA 0.496 5.022 4.527 -0.001 0.000 0.329 242 F C -2.072 173.674 175.800 -0.089 0.000 1.126 242 F CA -2.877 55.093 58.000 -0.049 0.000 0.937 242 F CB 1.917 40.887 39.000 -0.051 0.000 1.146 242 F HN -0.266 nan 8.300 nan 0.000 0.442 243 P HA -0.116 nan 4.420 nan 0.000 0.217 243 P C 1.198 178.178 177.300 -0.533 0.000 1.154 243 P CA 1.361 64.126 63.100 -0.557 0.000 0.841 243 P CB 0.180 31.421 31.700 -0.765 0.000 0.790 244 Y N 0.712 120.353 120.300 -1.097 0.000 2.242 244 Y HA 0.052 4.601 4.550 -0.001 0.000 0.291 244 Y C 2.323 178.051 175.900 -0.287 0.000 1.137 244 Y CA 0.600 58.120 58.100 -0.967 0.000 1.181 244 Y CB -1.649 36.156 38.460 -1.091 0.000 0.989 244 Y HN 0.070 nan 8.280 nan 0.000 0.527 245 G N 0.422 109.259 108.800 0.062 0.000 2.634 245 G HA2 -0.368 3.591 3.960 -0.001 0.000 0.309 245 G HA3 -0.368 3.591 3.960 -0.001 0.000 0.309 245 G C -0.389 174.743 174.900 0.386 0.000 1.265 245 G CA 0.590 45.887 45.100 0.328 0.000 0.998 245 G HN 0.367 nan 8.290 nan 0.000 0.551 246 F N 1.364 121.415 119.950 0.170 0.000 2.563 246 F HA 0.602 5.129 4.527 -0.001 0.000 0.316 246 F C 0.893 176.758 175.800 0.108 0.000 1.076 246 F CA 1.314 59.393 58.000 0.131 0.000 0.921 246 F CB 1.488 40.552 39.000 0.107 0.000 1.209 246 F HN 2.198 nan 8.300 nan 0.000 0.462 247 G N 4.184 112.457 108.800 -0.879 0.000 2.601 247 G HA2 -0.200 3.759 3.960 -0.001 0.000 0.252 247 G HA3 -0.200 3.759 3.960 -0.001 0.000 0.252 247 G C -2.679 172.113 174.900 -0.179 0.000 1.294 247 G CA -0.701 44.055 45.100 -0.573 0.000 0.912 247 G HN 0.671 nan 8.290 nan 0.000 0.574 248 P HA 0.337 nan 4.420 nan 0.000 0.266 248 P C -0.767 176.608 177.300 0.125 0.000 1.195 248 P CA 0.193 63.303 63.100 0.017 0.000 0.768 248 P CB 0.283 31.994 31.700 0.019 0.000 0.838 249 Y N 4.310 124.612 120.300 0.002 0.000 2.593 249 Y HA 0.329 4.879 4.550 -0.001 0.000 0.331 249 Y C 0.889 176.849 175.900 0.100 0.000 0.986 249 Y CA -1.015 57.124 58.100 0.065 0.000 1.262 249 Y CB -0.144 38.350 38.460 0.056 0.000 1.098 249 Y HN 0.326 nan 8.280 nan 0.000 0.506 250 I N -0.348 120.233 120.570 0.018 0.000 3.728 250 I HA 0.121 4.290 4.170 -0.001 0.000 0.307 250 I C 0.770 176.862 176.117 -0.042 0.000 1.276 250 I CA 0.311 61.581 61.300 -0.051 0.000 1.285 250 I CB 0.160 38.171 38.000 0.019 0.000 1.038 250 I HN 0.246 nan 8.210 nan 0.000 0.445 251 D N 2.875 123.245 120.400 -0.051 0.000 2.116 251 D HA -0.173 4.466 4.640 -0.001 0.000 0.193 251 D C 2.326 178.786 176.300 0.266 0.000 0.998 251 D CA 1.886 56.013 54.000 0.211 0.000 0.836 251 D CB -0.713 40.216 40.800 0.215 0.000 0.951 251 D HN 0.512 nan 8.370 nan 0.000 0.449 252 G N 0.232 109.073 108.800 0.068 0.000 2.535 252 G HA2 -0.161 3.799 3.960 -0.001 0.000 0.218 252 G HA3 -0.161 3.799 3.960 -0.001 0.000 0.218 252 G C 1.421 176.168 174.900 -0.254 0.000 1.122 252 G CA -0.048 45.011 45.100 -0.068 0.000 0.769 252 G HN 0.264 nan 8.290 nan 0.000 0.549 253 L N -0.789 120.265 121.223 -0.281 0.000 2.551 253 L HA 0.165 4.505 4.340 -0.001 0.000 0.228 253 L C 1.267 177.844 176.870 -0.488 0.000 1.153 253 L CA 0.428 55.006 54.840 -0.437 0.000 0.851 253 L CB -0.060 41.625 42.059 -0.623 0.000 0.959 253 L HN 0.193 nan 8.230 nan 0.000 0.451 254 F N -1.491 118.324 119.950 -0.224 0.000 2.688 254 F HA 0.128 4.654 4.527 -0.001 0.000 0.310 254 F C 1.055 176.661 175.800 -0.323 0.000 1.098 254 F CA -0.628 57.246 58.000 -0.209 0.000 1.228 254 F CB 0.323 39.264 39.000 -0.098 0.000 1.042 254 F HN -0.093 nan 8.300 nan 0.000 0.557 255 S N -0.318 115.150 115.700 -0.386 0.000 2.478 255 S HA 0.391 4.861 4.470 -0.001 0.000 0.312 255 S C 0.006 174.333 174.600 -0.455 0.000 1.094 255 S CA -0.472 57.379 58.200 -0.582 0.000 1.081 255 S CB 1.707 64.115 63.200 -1.320 0.000 1.007 255 S HN 0.299 nan 8.310 nan 0.000 0.475 256 Q N 0.166 119.751 119.800 -0.357 0.000 2.475 256 Q HA -0.184 4.156 4.340 -0.001 0.000 0.280 256 Q C -0.037 175.805 176.000 -0.263 0.000 1.234 256 Q CA 1.120 56.743 55.803 -0.300 0.000 0.873 256 Q CB -2.492 26.062 28.738 -0.307 0.000 1.256 256 Q HN 1.088 nan 8.270 nan 0.000 0.475 257 S N -0.491 115.056 115.700 -0.255 0.000 2.704 257 S HA 0.682 5.152 4.470 -0.001 0.000 0.296 257 S C 0.043 174.504 174.600 -0.232 0.000 1.138 257 S CA -0.518 57.540 58.200 -0.237 0.000 0.875 257 S CB 1.354 64.416 63.200 -0.230 0.000 1.151 257 S HN 0.268 nan 8.310 nan 0.000 0.500 258 N N 0.026 118.593 118.700 -0.222 0.000 2.458 258 N HA 0.244 4.984 4.740 -0.001 0.000 0.274 258 N C 0.250 175.679 175.510 -0.136 0.000 1.242 258 N CA -0.504 52.421 53.050 -0.208 0.000 0.904 258 N CB 0.091 38.438 38.487 -0.235 0.000 1.206 258 N HN 0.369 nan 8.380 nan 0.000 0.510 259 M N -0.275 119.275 119.600 -0.082 0.000 2.287 259 M HA 0.286 4.766 4.480 -0.001 0.000 0.266 259 M C 1.008 177.404 176.300 0.161 0.000 1.079 259 M CA 0.445 55.729 55.300 -0.026 0.000 1.146 259 M CB -0.580 31.876 32.600 -0.239 0.000 1.374 259 M HN 0.381 nan 8.290 nan 0.000 0.435 260 G N -0.704 108.213 108.800 0.194 0.000 2.749 260 G HA2 0.642 4.602 3.960 -0.001 0.000 0.300 260 G HA3 0.642 4.602 3.960 -0.001 0.000 0.300 260 G C -1.559 173.293 174.900 -0.081 0.000 1.352 260 G CA -0.695 44.440 45.100 0.059 0.000 0.789 260 G HN 0.104 nan 8.290 nan 0.000 0.509 261 I N 0.737 121.233 120.570 -0.124 0.000 2.362 261 I HA 0.372 4.542 4.170 -0.001 0.000 0.289 261 I C -0.135 175.882 176.117 -0.167 0.000 0.994 261 I CA -0.807 60.404 61.300 -0.147 0.000 1.158 261 I CB 1.998 39.925 38.000 -0.123 0.000 1.315 261 I HN 0.121 nan 8.210 nan 0.000 0.451 262 V N 4.912 124.727 119.914 -0.165 0.000 2.546 262 V HA 0.282 4.402 4.120 -0.001 0.000 0.284 262 V C 0.998 177.028 176.094 -0.106 0.000 1.050 262 V CA 0.035 62.243 62.300 -0.153 0.000 0.981 262 V CB 1.175 32.918 31.823 -0.133 0.000 0.990 262 V HN 0.956 nan 8.190 nan 0.000 0.474 263 T N 0.413 114.922 114.554 -0.074 0.000 2.969 263 T HA 0.378 4.728 4.350 -0.001 0.000 0.258 263 T C 0.289 174.989 174.700 0.001 0.000 0.962 263 T CA -0.132 61.942 62.100 -0.043 0.000 0.903 263 T CB 0.343 69.187 68.868 -0.040 0.000 1.177 263 T HN 0.528 nan 8.240 nan 0.000 0.511 264 K N 0.092 120.512 120.400 0.034 0.000 2.556 264 K HA 0.749 5.069 4.320 -0.001 0.000 0.274 264 K C -2.145 174.474 176.600 0.032 0.000 0.966 264 K CA -0.812 55.525 56.287 0.083 0.000 0.865 264 K CB 2.957 35.647 32.500 0.317 0.000 1.444 264 K HN 0.210 nan 8.250 nan 0.000 0.433 265 I N 0.280 120.800 120.570 -0.084 0.000 2.735 265 I HA 0.290 4.459 4.170 -0.001 0.000 0.287 265 I C -1.058 174.857 176.117 -0.337 0.000 1.452 265 I CA -0.270 60.932 61.300 -0.163 0.000 1.061 265 I CB 1.798 39.720 38.000 -0.130 0.000 1.383 265 I HN 0.710 nan 8.210 nan 0.000 0.425 266 G N 7.993 116.518 108.800 -0.458 0.000 2.353 266 G HA2 0.592 4.552 3.960 -0.001 0.000 0.284 266 G HA3 0.592 4.552 3.960 -0.001 0.000 0.284 266 G C -0.788 173.874 174.900 -0.396 0.000 1.172 266 G CA -0.287 44.420 45.100 -0.654 0.000 0.854 266 G HN 0.375 nan 8.290 nan 0.000 0.485 267 I N 2.085 122.508 120.570 -0.246 0.000 2.498 267 I HA 0.314 4.484 4.170 -0.001 0.000 0.290 267 I C -0.735 175.456 176.117 0.123 0.000 1.032 267 I CA -1.214 59.996 61.300 -0.150 0.000 1.073 267 I CB 1.849 39.786 38.000 -0.104 0.000 1.251 267 I HN 0.448 nan 8.210 nan 0.000 0.426 268 W N 6.329 127.647 121.300 0.029 0.000 2.190 268 W HA 0.373 5.032 4.660 -0.001 0.000 0.330 268 W C -0.172 176.510 176.519 0.271 0.000 1.299 268 W CA -0.492 56.944 57.345 0.153 0.000 1.215 268 W CB 0.244 29.746 29.460 0.069 0.000 1.147 268 W HN 0.181 nan 8.180 nan 0.000 0.563 269 L N 4.739 126.229 121.223 0.445 0.000 2.365 269 L HA 0.427 4.767 4.340 -0.001 0.000 0.273 269 L C 0.190 177.008 176.870 -0.086 0.000 1.000 269 L CA -1.070 53.877 54.840 0.179 0.000 0.819 269 L CB 1.881 43.980 42.059 0.067 0.000 1.284 269 L HN 0.259 nan 8.230 nan 0.000 0.418 270 M N 6.116 125.315 119.600 -0.669 0.000 2.184 270 M HA 0.267 4.747 4.480 -0.001 0.000 0.351 270 M C -2.202 173.819 176.300 -0.466 0.000 1.395 270 M CA -1.381 53.322 55.300 -0.996 0.000 1.117 270 M CB 1.130 32.883 32.600 -1.412 0.000 1.708 270 M HN 0.215 nan 8.290 nan 0.000 0.468 271 P HA -0.072 nan 4.420 nan 0.000 0.268 271 P C -0.758 176.243 177.300 -0.499 0.000 1.204 271 P CA 0.040 62.957 63.100 -0.305 0.000 0.768 271 P CB 0.205 31.779 31.700 -0.209 0.000 0.842 272 N N 4.314 122.661 118.700 -0.589 0.000 2.034 272 N HA -0.112 4.627 4.740 -0.001 0.000 0.293 272 N C -0.859 174.289 175.510 -0.603 0.000 1.336 272 N CA -0.317 52.215 53.050 -0.864 0.000 0.819 272 N CB 0.302 38.555 38.487 -0.390 0.000 1.071 272 N HN 0.337 nan 8.380 nan 0.000 0.495 273 P HA -0.099 nan 4.420 nan 0.000 0.223 273 P C 0.412 177.597 177.300 -0.192 0.000 1.151 273 P CA 1.389 64.276 63.100 -0.354 0.000 0.787 273 P CB 0.216 31.756 31.700 -0.268 0.000 0.788 274 R N -1.831 118.561 120.500 -0.180 0.000 3.647 274 R HA 0.172 4.512 4.340 -0.001 0.000 0.364 274 R C 0.470 176.769 176.300 -0.003 0.000 1.114 274 R CA 0.890 56.951 56.100 -0.064 0.000 0.896 274 R CB -2.698 nan 30.300 nan 0.000 1.558 274 R HN 0.816 nan 8.270 nan 0.000 0.497 275 G N -1.805 107.019 108.800 0.040 0.000 2.282 275 G HA2 0.551 4.511 3.960 -0.001 0.000 0.274 275 G HA3 0.551 4.511 3.960 -0.001 0.000 0.274 275 G C -1.365 173.648 174.900 0.187 0.000 1.718 275 G CA 0.197 45.351 45.100 0.090 0.000 0.927 275 G HN 1.806 nan 8.290 nan 0.000 0.733 276 Y N 1.085 121.395 120.300 0.017 0.000 2.513 276 Y HA 0.809 5.359 4.550 -0.001 0.000 0.340 276 Y C -0.890 174.907 175.900 -0.172 0.000 1.055 276 Y CA -1.177 56.907 58.100 -0.026 0.000 1.020 276 Y CB 2.791 41.376 38.460 0.209 0.000 1.301 276 Y HN 0.886 nan 8.280 nan 0.000 0.453 277 Q N 3.202 122.440 119.800 -0.936 0.000 2.313 277 Q HA 0.570 4.910 4.340 -0.001 0.000 0.260 277 Q C -1.620 173.754 176.000 -1.044 0.000 0.972 277 Q CA -0.531 54.646 55.803 -1.043 0.000 0.886 277 Q CB 1.841 30.053 28.738 -0.876 0.000 1.373 277 Q HN 0.756 nan 8.270 nan 0.000 0.416 278 S N 2.297 117.436 115.700 -0.935 0.000 2.693 278 S HA 0.900 5.369 4.470 -0.001 0.000 0.276 278 S C -0.718 173.697 174.600 -0.308 0.000 1.192 278 S CA -0.277 57.576 58.200 -0.579 0.000 0.994 278 S CB 0.847 63.821 63.200 -0.378 0.000 1.012 278 S HN 0.790 nan 8.310 nan 0.000 0.550 279 Y N -1.371 118.795 120.300 -0.223 0.000 2.689 279 Y HA 0.807 5.357 4.550 -0.001 0.000 0.333 279 Y C -1.768 174.055 175.900 -0.129 0.000 1.208 279 Y CA -1.716 56.330 58.100 -0.089 0.000 1.055 279 Y CB 0.886 39.267 38.460 -0.133 0.000 1.304 279 Y HN 0.758 nan 8.280 nan 0.000 0.455 280 L N 2.767 124.117 121.223 0.212 0.000 2.438 280 L HA 0.735 5.075 4.340 -0.001 0.000 0.270 280 L C -1.912 175.069 176.870 0.185 0.000 0.972 280 L CA -0.987 53.816 54.840 -0.061 0.000 0.831 280 L CB 1.657 43.501 42.059 -0.358 0.000 1.273 280 L HN 0.722 nan 8.230 nan 0.000 0.405 281 I N 3.825 124.452 120.570 0.095 0.000 2.404 281 I HA 0.509 4.679 4.170 -0.001 0.000 0.293 281 I C -0.158 175.935 176.117 -0.041 0.000 0.992 281 I CA -0.549 60.745 61.300 -0.010 0.000 1.149 281 I CB 2.091 40.027 38.000 -0.105 0.000 1.315 281 I HN 0.697 nan 8.210 nan 0.000 0.446 282 T N 4.903 119.418 114.554 -0.065 0.000 2.824 282 T HA 0.697 5.046 4.350 -0.001 0.000 0.280 282 T C -0.472 174.216 174.700 -0.021 0.000 0.995 282 T CA -0.794 61.302 62.100 -0.006 0.000 1.009 282 T CB 1.434 70.332 68.868 0.051 0.000 0.955 282 T HN 0.322 nan 8.240 nan 0.000 0.452 283 L N 4.059 125.311 121.223 0.049 0.000 2.294 283 L HA 0.367 4.706 4.340 -0.001 0.000 0.283 283 L C -1.924 174.991 176.870 0.075 0.000 1.015 283 L CA -2.399 52.487 54.840 0.076 0.000 0.831 283 L CB 1.605 43.756 42.059 0.152 0.000 1.217 283 L HN 0.378 nan 8.230 nan 0.000 0.420 284 P HA -0.107 nan 4.420 nan 0.000 0.214 284 P C 0.073 177.400 177.300 0.045 0.000 1.162 284 P CA 1.283 64.400 63.100 0.028 0.000 0.879 284 P CB 0.242 31.951 31.700 0.014 0.000 0.786 285 K N -0.550 119.894 120.400 0.073 0.000 2.090 285 K HA 0.090 4.409 4.320 -0.001 0.000 0.249 285 K C 0.842 177.550 176.600 0.180 0.000 0.995 285 K CA -0.337 56.005 56.287 0.093 0.000 0.914 285 K CB 0.220 32.766 32.500 0.076 0.000 1.057 285 K HN -0.167 nan 8.250 nan 0.000 0.462 286 D N 0.713 121.227 120.400 0.191 0.000 2.117 286 D HA -0.073 4.566 4.640 -0.001 0.000 0.198 286 D C 1.282 177.806 176.300 0.372 0.000 0.982 286 D CA 1.297 55.502 54.000 0.341 0.000 0.828 286 D CB -0.104 40.878 40.800 0.303 0.000 0.967 286 D HN 0.744 nan 8.370 nan 0.000 0.464 287 G N -0.638 108.285 108.800 0.204 0.000 3.124 287 G HA2 -0.078 3.882 3.960 -0.001 0.000 0.212 287 G HA3 -0.078 3.882 3.960 -0.001 0.000 0.212 287 G C 0.841 175.756 174.900 0.026 0.000 1.181 287 G CA -0.054 45.114 45.100 0.112 0.000 0.803 287 G HN 0.152 nan 8.290 nan 0.000 0.529 288 D N 0.070 120.498 120.400 0.047 0.000 2.347 288 D HA -0.016 4.623 4.640 -0.001 0.000 0.213 288 D C 2.285 178.491 176.300 -0.157 0.000 0.985 288 D CA -0.210 53.783 54.000 -0.012 0.000 0.879 288 D CB 0.389 41.229 40.800 0.067 0.000 0.919 288 D HN 0.245 nan 8.370 nan 0.000 0.526 289 L N 2.125 123.125 121.223 -0.372 0.000 1.951 289 L HA -0.278 4.062 4.340 -0.001 0.000 0.222 289 L C 2.311 178.926 176.870 -0.425 0.000 1.078 289 L CA 2.125 56.551 54.840 -0.690 0.000 0.778 289 L CB -0.754 40.656 42.059 -1.081 0.000 0.893 289 L HN -0.142 nan 8.230 nan 0.000 0.436 290 K N -0.665 119.561 120.400 -0.290 0.000 2.059 290 K HA -0.308 4.012 4.320 -0.001 0.000 0.212 290 K C 2.256 178.740 176.600 -0.193 0.000 1.050 290 K CA 2.495 58.655 56.287 -0.212 0.000 0.927 290 K CB -0.542 31.886 32.500 -0.120 0.000 0.714 290 K HN 0.592 nan 8.250 nan 0.000 0.447 291 Q N -0.895 118.809 119.800 -0.160 0.000 2.245 291 Q HA 0.042 4.382 4.340 -0.001 0.000 0.201 291 Q C 1.825 177.702 176.000 -0.204 0.000 0.955 291 Q CA 0.916 56.625 55.803 -0.156 0.000 0.870 291 Q CB -0.130 28.539 28.738 -0.114 0.000 0.945 291 Q HN 0.474 nan 8.270 nan 0.000 0.461 292 A N 0.047 122.751 122.820 -0.194 0.000 1.842 292 A HA -0.210 4.110 4.320 -0.001 0.000 0.217 292 A C 2.127 179.538 177.584 -0.289 0.000 1.206 292 A CA 1.945 53.870 52.037 -0.188 0.000 0.630 292 A CB -1.231 17.696 19.000 -0.121 0.000 0.839 292 A HN 0.278 nan 8.150 nan 0.000 0.447 293 V N 0.751 120.471 119.914 -0.324 0.000 2.428 293 V HA -0.313 3.806 4.120 -0.001 0.000 0.255 293 V C 2.009 177.957 176.094 -0.244 0.000 1.080 293 V CA 2.482 64.593 62.300 -0.315 0.000 1.083 293 V CB -1.094 30.507 31.823 -0.370 0.000 0.665 293 V HN 0.504 nan 8.190 nan 0.000 0.461 294 D N -0.569 119.692 120.400 -0.230 0.000 2.269 294 D HA 0.008 4.647 4.640 -0.001 0.000 0.208 294 D C 1.932 178.103 176.300 -0.214 0.000 0.963 294 D CA 0.865 54.752 54.000 -0.187 0.000 0.864 294 D CB -0.015 40.688 40.800 -0.162 0.000 0.936 294 D HN 0.458 nan 8.370 nan 0.000 0.505 295 I N -0.165 120.219 120.570 -0.310 0.000 2.339 295 I HA -0.102 4.068 4.170 -0.001 0.000 0.245 295 I C 2.045 177.969 176.117 -0.321 0.000 1.096 295 I CA 0.363 61.415 61.300 -0.414 0.000 1.408 295 I CB 0.060 37.571 38.000 -0.815 0.000 1.092 295 I HN -0.106 nan 8.210 nan 0.000 0.423 296 I N 0.659 121.059 120.570 -0.284 0.000 2.248 296 I HA -0.342 3.828 4.170 -0.001 0.000 0.248 296 I C 2.684 178.763 176.117 -0.063 0.000 1.107 296 I CA 1.320 62.545 61.300 -0.126 0.000 1.373 296 I CB -0.489 37.415 38.000 -0.161 0.000 1.055 296 I HN 0.186 nan 8.210 nan 0.000 0.418 297 R N 1.378 121.821 120.500 -0.095 0.000 2.143 297 R HA -0.209 4.130 4.340 -0.001 0.000 0.239 297 R C -0.753 175.532 176.300 -0.025 0.000 1.126 297 R CA 2.557 58.623 56.100 -0.056 0.000 0.927 297 R CB -1.387 28.870 30.300 -0.073 0.000 0.860 297 R HN 0.252 nan 8.270 nan 0.000 0.433 298 P HA 0.029 nan 4.420 nan 0.000 0.255 298 P C 0.880 178.182 177.300 0.004 0.000 1.248 298 P CA 0.738 63.829 63.100 -0.015 0.000 0.807 298 P CB 0.155 31.836 31.700 -0.032 0.000 1.150 299 L N -1.102 120.129 121.223 0.012 0.000 2.249 299 L HA 0.092 4.431 4.340 -0.001 0.000 0.207 299 L C 2.747 179.679 176.870 0.103 0.000 1.090 299 L CA 0.617 55.495 54.840 0.063 0.000 0.802 299 L CB -0.327 41.787 42.059 0.092 0.000 0.947 299 L HN -0.102 nan 8.230 nan 0.000 0.453 300 R N 0.337 120.894 120.500 0.094 0.000 2.057 300 R HA -0.073 4.266 4.340 -0.001 0.000 0.229 300 R C 2.052 178.403 176.300 0.085 0.000 1.136 300 R CA 1.374 57.541 56.100 0.111 0.000 0.952 300 R CB -0.617 29.742 30.300 0.099 0.000 0.848 300 R HN 0.058 nan 8.270 nan 0.000 0.430 301 L N -0.158 121.100 121.223 0.058 0.000 2.265 301 L HA 0.026 4.365 4.340 -0.001 0.000 0.215 301 L C 1.471 178.370 176.870 0.047 0.000 1.117 301 L CA 2.123 56.991 54.840 0.046 0.000 0.782 301 L CB -1.175 40.901 42.059 0.029 0.000 0.914 301 L HN 0.446 nan 8.230 nan 0.000 0.441 302 G N -2.523 106.307 108.800 0.051 0.000 3.502 302 G HA2 0.207 4.166 3.960 -0.001 0.000 0.267 302 G HA3 0.207 4.166 3.960 -0.001 0.000 0.267 302 G C 0.829 175.769 174.900 0.067 0.000 1.090 302 G CA -0.261 44.868 45.100 0.050 0.000 0.795 302 G HN 0.265 nan 8.290 nan 0.000 0.535 303 M N -0.480 119.170 119.600 0.084 0.000 2.393 303 M HA -0.273 4.207 4.480 -0.001 0.000 0.201 303 M C 1.674 178.047 176.300 0.122 0.000 0.403 303 M CA 0.693 56.055 55.300 0.104 0.000 0.471 303 M CB -1.399 31.253 32.600 0.087 0.000 1.669 303 M HN 0.322 nan 8.290 nan 0.000 0.864 304 A N -0.870 122.028 122.820 0.131 0.000 2.123 304 A HA 0.379 4.699 4.320 -0.001 0.000 0.214 304 A C 0.821 178.540 177.584 0.226 0.000 1.152 304 A CA 0.515 52.647 52.037 0.157 0.000 0.728 304 A CB 0.377 19.456 19.000 0.132 0.000 0.814 304 A HN 0.475 nan 8.150 nan 0.000 0.464 305 L N 0.497 121.864 121.223 0.241 0.000 2.318 305 L HA 0.251 4.591 4.340 -0.001 0.000 0.277 305 L C 0.553 177.584 176.870 0.269 0.000 1.008 305 L CA -0.308 54.718 54.840 0.311 0.000 0.846 305 L CB 1.629 43.895 42.059 0.346 0.000 1.220 305 L HN 0.378 nan 8.230 nan 0.000 0.423 306 Q N 0.823 120.805 119.800 0.302 0.000 2.302 306 Q HA 0.001 4.341 4.340 -0.001 0.000 0.202 306 Q C 0.598 176.733 176.000 0.225 0.000 0.936 306 Q CA 0.444 56.402 55.803 0.258 0.000 0.886 306 Q CB 0.253 29.178 28.738 0.311 0.000 0.986 306 Q HN 0.694 nan 8.270 nan 0.000 0.487 307 N N -0.268 118.614 118.700 0.303 0.000 2.717 307 N HA 0.190 4.929 4.740 -0.001 0.000 0.314 307 N C -0.566 175.076 175.510 0.220 0.000 1.324 307 N CA -0.720 52.480 53.050 0.251 0.000 0.902 307 N CB 0.340 39.077 38.487 0.416 0.000 1.126 307 N HN -0.185 nan 8.380 nan 0.000 0.579 308 V N 1.556 121.601 119.914 0.218 0.000 2.277 308 V HA 0.369 4.489 4.120 -0.001 0.000 0.269 308 V C -2.101 174.151 176.094 0.264 0.000 1.036 308 V CA -1.287 61.141 62.300 0.213 0.000 0.821 308 V CB 0.421 32.331 31.823 0.145 0.000 1.052 308 V HN 0.645 nan 8.190 nan 0.000 0.462 309 P HA 0.326 nan 4.420 nan 0.000 0.274 309 P C -0.261 177.171 177.300 0.219 0.000 1.246 309 P CA 0.006 63.220 63.100 0.190 0.000 0.795 309 P CB 0.874 32.793 31.700 0.364 0.000 1.006 310 T N -1.321 113.312 114.554 0.132 0.000 2.908 310 T HA 0.669 5.018 4.350 -0.001 0.000 0.290 310 T C 0.132 175.054 174.700 0.370 0.000 1.034 310 T CA -0.697 61.502 62.100 0.166 0.000 1.010 310 T CB 1.026 69.838 68.868 -0.093 0.000 1.068 310 T HN 0.213 nan 8.240 nan 0.000 0.481 311 I N 1.989 122.788 120.570 0.381 0.000 2.503 311 I HA 0.322 4.491 4.170 -0.001 0.000 0.277 311 I C 0.334 176.749 176.117 0.496 0.000 1.078 311 I CA -0.695 60.886 61.300 0.469 0.000 1.184 311 I CB 0.627 38.826 38.000 0.333 0.000 1.353 311 I HN 0.361 nan 8.210 nan 0.000 0.490 312 R N 3.371 124.102 120.500 0.384 0.000 2.441 312 R HA 0.261 4.600 4.340 -0.001 0.000 0.284 312 R C 0.265 176.698 176.300 0.222 0.000 1.070 312 R CA -0.527 55.702 56.100 0.216 0.000 1.047 312 R CB 0.732 31.043 30.300 0.019 0.000 1.016 312 R HN 0.474 nan 8.270 nan 0.000 0.477 313 H N 2.413 121.424 119.070 -0.098 0.000 2.629 313 H HA -0.020 4.535 4.556 -0.001 0.000 0.357 313 H C 1.190 176.301 175.328 -0.360 0.000 1.121 313 H CA -0.148 55.602 56.048 -0.498 0.000 1.406 313 H CB 1.104 30.604 29.762 -0.436 0.000 1.456 313 H HN 0.569 nan 8.280 nan 0.000 0.579 314 I N 4.079 124.127 120.570 -0.871 0.000 2.194 314 I HA -0.273 3.896 4.170 -0.001 0.000 0.246 314 I C 1.984 177.870 176.117 -0.386 0.000 1.093 314 I CA 1.408 62.388 61.300 -0.534 0.000 1.355 314 I CB -0.230 37.442 38.000 -0.546 0.000 1.046 314 I HN 0.668 nan 8.210 nan 0.000 0.413 315 L N -0.242 120.778 121.223 -0.339 0.000 2.622 315 L HA -0.078 4.262 4.340 -0.001 0.000 0.233 315 L C 1.953 178.548 176.870 -0.458 0.000 1.156 315 L CA 0.231 54.841 54.840 -0.385 0.000 0.866 315 L CB -0.254 41.596 42.059 -0.348 0.000 0.980 315 L HN 0.394 nan 8.230 nan 0.000 0.448 316 L N -0.557 120.458 121.223 -0.346 0.000 2.145 316 L HA -0.043 4.296 4.340 -0.001 0.000 0.201 316 L C 1.914 178.634 176.870 -0.250 0.000 1.075 316 L CA 1.716 56.310 54.840 -0.411 0.000 0.773 316 L CB -0.335 41.477 42.059 -0.412 0.000 0.936 316 L HN 0.099 nan 8.230 nan 0.000 0.451 317 D N 0.029 120.326 120.400 -0.172 0.000 2.117 317 D HA -0.079 4.560 4.640 -0.001 0.000 0.198 317 D C 2.214 178.514 176.300 0.001 0.000 0.982 317 D CA 1.376 55.336 54.000 -0.067 0.000 0.828 317 D CB -0.193 40.583 40.800 -0.041 0.000 0.967 317 D HN 0.417 nan 8.370 nan 0.000 0.464 318 A N 1.022 123.803 122.820 -0.066 0.000 1.948 318 A HA -0.135 4.185 4.320 -0.001 0.000 0.220 318 A C 2.258 180.025 177.584 0.304 0.000 1.177 318 A CA 2.300 54.334 52.037 -0.006 0.000 0.636 318 A CB -0.586 18.225 19.000 -0.315 0.000 0.815 318 A HN 0.256 nan 8.150 nan 0.000 0.449 319 A N -1.061 121.878 122.820 0.198 0.000 2.016 319 A HA 0.200 4.519 4.320 -0.001 0.000 0.217 319 A C 2.146 179.962 177.584 0.386 0.000 1.162 319 A CA 1.268 53.567 52.037 0.436 0.000 0.662 319 A CB -0.529 18.642 19.000 0.284 0.000 0.812 319 A HN 0.320 nan 8.150 nan 0.000 0.450 320 V N 0.117 120.201 119.914 0.282 0.000 2.307 320 V HA -0.187 3.933 4.120 -0.001 0.000 0.245 320 V C 2.365 178.569 176.094 0.183 0.000 1.045 320 V CA 1.738 64.179 62.300 0.236 0.000 1.024 320 V CB -0.556 31.375 31.823 0.179 0.000 0.651 320 V HN 0.570 nan 8.190 nan 0.000 0.449 321 L N -0.485 120.854 121.223 0.193 0.000 2.478 321 L HA 0.308 4.648 4.340 -0.001 0.000 0.223 321 L C 0.885 177.847 176.870 0.154 0.000 1.140 321 L CA 0.812 55.750 54.840 0.163 0.000 0.842 321 L CB -0.220 41.939 42.059 0.166 0.000 0.953 321 L HN 0.523 nan 8.230 nan 0.000 0.452 322 G N -0.313 108.618 108.800 0.218 0.000 2.443 322 G HA2 0.182 4.141 3.960 -0.001 0.000 0.303 322 G HA3 0.182 4.141 3.960 -0.001 0.000 0.303 322 G C -1.497 173.519 174.900 0.194 0.000 1.613 322 G CA -0.752 44.401 45.100 0.090 0.000 0.879 322 G HN 0.039 nan 8.290 nan 0.000 0.632 323 D N 0.796 121.236 120.400 0.068 0.000 2.319 323 D HA -0.003 4.636 4.640 -0.001 0.000 0.235 323 D C 1.457 177.682 176.300 -0.125 0.000 1.304 323 D CA -0.079 53.950 54.000 0.048 0.000 0.894 323 D CB 0.862 41.625 40.800 -0.062 0.000 1.183 323 D HN 0.520 nan 8.370 nan 0.000 0.472 324 K N 0.032 120.072 120.400 -0.600 0.000 2.009 324 K HA -0.219 4.101 4.320 -0.001 0.000 0.210 324 K C 2.185 178.516 176.600 -0.448 0.000 1.049 324 K CA 1.096 56.689 56.287 -1.157 0.000 0.929 324 K CB -0.114 31.407 32.500 -1.631 0.000 0.714 324 K HN 0.337 nan 8.250 nan 0.000 0.440 325 R N 0.468 120.764 120.500 -0.340 0.000 2.154 325 R HA -0.105 4.235 4.340 -0.001 0.000 0.248 325 R C 1.992 178.185 176.300 -0.180 0.000 1.155 325 R CA 1.801 57.776 56.100 -0.208 0.000 0.979 325 R CB -0.214 29.990 30.300 -0.161 0.000 0.869 325 R HN 0.331 nan 8.270 nan 0.000 0.452 326 S N -1.059 114.484 115.700 -0.262 0.000 2.754 326 S HA 0.006 4.475 4.470 -0.001 0.000 0.223 326 S C 0.555 174.893 174.600 -0.437 0.000 0.951 326 S CA 0.138 58.138 58.200 -0.333 0.000 0.954 326 S CB 0.095 63.055 63.200 -0.400 0.000 0.780 326 S HN 0.307 nan 8.310 nan 0.000 0.509 327 Y N 0.171 120.440 120.300 -0.051 0.000 2.550 327 Y HA 0.505 5.054 4.550 -0.001 0.000 0.275 327 Y C 0.870 176.767 175.900 -0.004 0.000 1.148 327 Y CA -0.481 57.619 58.100 0.001 0.000 1.200 327 Y CB 0.611 39.109 38.460 0.063 0.000 1.299 327 Y HN 0.399 nan 8.280 nan 0.000 0.509 328 S N -1.301 114.459 115.700 0.100 0.000 2.556 328 S HA 0.310 4.780 4.470 -0.001 0.000 0.280 328 S C -0.126 174.470 174.600 -0.007 0.000 1.141 328 S CA -0.457 57.775 58.200 0.054 0.000 0.883 328 S CB 1.392 64.642 63.200 0.083 0.000 1.103 328 S HN -0.081 nan 8.310 nan 0.000 0.453 329 S N 1.928 117.626 115.700 -0.004 0.000 2.634 329 S HA 0.295 4.765 4.470 -0.001 0.000 0.221 329 S C 0.707 175.302 174.600 -0.009 0.000 0.952 329 S CA -0.063 58.126 58.200 -0.019 0.000 0.930 329 S CB -0.232 62.960 63.200 -0.015 0.000 0.780 329 S HN 0.562 nan 8.310 nan 0.000 0.498 330 R N -0.054 120.449 120.500 0.005 0.000 2.582 330 R HA 0.265 4.604 4.340 -0.001 0.000 0.271 330 R C 1.174 177.484 176.300 0.017 0.000 1.078 330 R CA 0.183 56.295 56.100 0.020 0.000 1.127 330 R CB 0.645 30.970 30.300 0.041 0.000 1.038 330 R HN 0.071 nan 8.270 nan 0.000 0.500 331 T N 0.831 115.400 114.554 0.025 0.000 2.953 331 T HA 0.038 4.387 4.350 -0.001 0.000 0.247 331 T C 0.174 174.905 174.700 0.052 0.000 1.029 331 T CA 0.428 62.545 62.100 0.029 0.000 1.144 331 T CB 0.155 69.037 68.868 0.023 0.000 0.870 331 T HN 0.399 nan 8.240 nan 0.000 0.446 332 E N 1.719 121.952 120.200 0.056 0.000 2.435 332 E HA 0.157 4.507 4.350 -0.001 0.000 0.256 332 E C -2.350 174.312 176.600 0.102 0.000 1.245 332 E CA -1.460 54.983 56.400 0.072 0.000 0.989 332 E CB -0.248 29.488 29.700 0.060 0.000 0.983 332 E HN 0.180 nan 8.360 nan 0.000 0.480 333 P HA 0.152 nan 4.420 nan 0.000 0.277 333 P C -0.452 176.934 177.300 0.143 0.000 1.240 333 P CA -0.156 63.040 63.100 0.159 0.000 0.798 333 P CB 0.391 32.182 31.700 0.152 0.000 0.979 334 L N 0.757 122.087 121.223 0.178 0.000 2.426 334 L HA 0.206 4.545 4.340 -0.001 0.000 0.271 334 L C 1.171 178.110 176.870 0.115 0.000 1.169 334 L CA -0.359 54.570 54.840 0.149 0.000 0.836 334 L CB -0.114 42.058 42.059 0.188 0.000 1.112 334 L HN 0.449 nan 8.230 nan 0.000 0.465 335 S N 0.198 115.951 115.700 0.089 0.000 2.617 335 S HA 0.021 4.491 4.470 -0.001 0.000 0.259 335 S C 0.531 175.172 174.600 0.068 0.000 1.301 335 S CA -0.503 57.740 58.200 0.071 0.000 0.984 335 S CB 1.005 64.239 63.200 0.057 0.000 0.954 335 S HN 0.701 nan 8.310 nan 0.000 0.572 336 D N 0.444 120.879 120.400 0.059 0.000 2.178 336 D HA -0.032 4.608 4.640 -0.001 0.000 0.202 336 D C 1.648 177.972 176.300 0.041 0.000 0.974 336 D CA 1.159 55.193 54.000 0.056 0.000 0.841 336 D CB -0.029 40.805 40.800 0.057 0.000 0.953 336 D HN 0.674 nan 8.370 nan 0.000 0.478 337 E N 0.345 120.568 120.200 0.038 0.000 2.152 337 E HA -0.075 4.275 4.350 -0.001 0.000 0.192 337 E C 1.751 178.368 176.600 0.029 0.000 0.983 337 E CA 0.585 57.004 56.400 0.031 0.000 0.818 337 E CB -0.075 29.643 29.700 0.031 0.000 0.758 337 E HN 0.351 nan 8.360 nan 0.000 0.467 338 E N 0.237 120.460 120.200 0.038 0.000 2.150 338 E HA -0.112 4.238 4.350 -0.001 0.000 0.193 338 E C 1.897 178.512 176.600 0.025 0.000 0.985 338 E CA 0.623 57.049 56.400 0.043 0.000 0.814 338 E CB -0.024 29.715 29.700 0.064 0.000 0.752 338 E HN 0.282 nan 8.360 nan 0.000 0.466 339 L N 0.716 121.948 121.223 0.014 0.000 2.131 339 L HA -0.141 4.199 4.340 -0.001 0.000 0.206 339 L C 1.958 178.794 176.870 -0.056 0.000 1.087 339 L CA 0.686 55.507 54.840 -0.032 0.000 0.767 339 L CB -0.226 41.816 42.059 -0.028 0.000 0.917 339 L HN -0.002 nan 8.230 nan 0.000 0.441 340 D N 0.485 120.869 120.400 -0.026 0.000 2.116 340 D HA -0.197 4.443 4.640 -0.001 0.000 0.193 340 D C 2.202 178.490 176.300 -0.020 0.000 0.998 340 D CA 1.238 55.224 54.000 -0.024 0.000 0.836 340 D CB 0.025 40.824 40.800 -0.001 0.000 0.951 340 D HN 0.126 nan 8.370 nan 0.000 0.449 341 K N -0.073 120.324 120.400 -0.005 0.000 2.032 341 K HA -0.093 4.227 4.320 -0.001 0.000 0.209 341 K C 2.222 178.820 176.600 -0.003 0.000 1.048 341 K CA 0.754 57.045 56.287 0.007 0.000 0.927 341 K CB -0.221 32.294 32.500 0.025 0.000 0.712 341 K HN 0.180 nan 8.250 nan 0.000 0.441 342 I N 0.740 121.292 120.570 -0.030 0.000 2.423 342 I HA -0.290 3.879 4.170 -0.001 0.000 0.254 342 I C 2.304 178.374 176.117 -0.079 0.000 1.151 342 I CA 0.873 62.129 61.300 -0.074 0.000 1.421 342 I CB -0.226 37.662 38.000 -0.186 0.000 1.079 342 I HN 0.195 nan 8.210 nan 0.000 0.431 343 A N 1.957 124.730 122.820 -0.078 0.000 1.840 343 A HA -0.226 4.094 4.320 -0.001 0.000 0.214 343 A C 2.276 179.837 177.584 -0.038 0.000 1.198 343 A CA 1.925 53.917 52.037 -0.074 0.000 0.608 343 A CB -0.564 18.387 19.000 -0.080 0.000 0.839 343 A HN 0.477 nan 8.150 nan 0.000 0.443 344 K N -0.045 120.344 120.400 -0.019 0.000 2.147 344 K HA -0.149 4.171 4.320 -0.001 0.000 0.205 344 K C 1.957 178.562 176.600 0.008 0.000 1.049 344 K CA 1.562 57.849 56.287 -0.001 0.000 0.936 344 K CB -0.354 32.150 32.500 0.006 0.000 0.722 344 K HN 0.584 nan 8.250 nan 0.000 0.446 345 Q N 1.035 120.843 119.800 0.013 0.000 1.927 345 Q HA -0.102 4.238 4.340 -0.001 0.000 0.210 345 Q C 1.982 177.998 176.000 0.028 0.000 1.001 345 Q CA 2.046 57.869 55.803 0.034 0.000 0.862 345 Q CB -0.271 28.503 28.738 0.060 0.000 0.934 345 Q HN 0.393 nan 8.270 nan 0.000 0.420 346 L N 0.655 121.888 121.223 0.017 0.000 2.610 346 L HA -0.002 4.338 4.340 -0.001 0.000 0.232 346 L C 0.244 177.093 176.870 -0.035 0.000 1.149 346 L CA -0.030 54.813 54.840 0.006 0.000 0.872 346 L CB -0.403 41.658 42.059 0.004 0.000 0.992 346 L HN 0.410 nan 8.230 nan 0.000 0.447 347 N N 0.107 118.788 118.700 -0.033 0.000 2.782 347 N HA -0.164 4.576 4.740 -0.001 0.000 0.251 347 N C -0.117 175.338 175.510 -0.091 0.000 1.101 347 N CA 0.781 53.802 53.050 -0.050 0.000 0.764 347 N CB -0.991 37.457 38.487 -0.064 0.000 1.122 347 N HN 0.318 nan 8.380 nan 0.000 0.561 348 L N -0.772 120.404 121.223 -0.078 0.000 2.335 348 L HA 0.684 5.024 4.340 -0.001 0.000 0.268 348 L C 1.635 178.470 176.870 -0.058 0.000 1.016 348 L CA -0.435 54.354 54.840 -0.085 0.000 0.805 348 L CB 1.153 43.161 42.059 -0.085 0.000 1.311 348 L HN 0.053 nan 8.230 nan 0.000 0.456 349 G N -0.636 108.134 108.800 -0.051 0.000 2.641 349 G HA2 0.257 4.217 3.960 -0.001 0.000 0.239 349 G HA3 0.257 4.217 3.960 -0.001 0.000 0.239 349 G C 0.509 175.342 174.900 -0.112 0.000 1.402 349 G CA -0.312 44.763 45.100 -0.041 0.000 1.046 349 G HN 0.433 nan 8.290 nan 0.000 0.565 350 R N -1.445 118.990 120.500 -0.108 0.000 2.140 350 R HA 0.101 4.441 4.340 -0.001 0.000 0.213 350 R C -0.359 175.603 176.300 -0.562 0.000 1.059 350 R CA 0.312 56.226 56.100 -0.309 0.000 1.000 350 R CB -0.004 30.198 30.300 -0.164 0.000 0.910 350 R HN 0.487 nan 8.270 nan 0.000 0.455 351 W N 0.662 121.922 121.300 -0.066 0.000 2.785 351 W HA 0.359 5.018 4.660 -0.001 0.000 0.333 351 W C -0.765 175.773 176.519 0.032 0.000 1.062 351 W CA -0.741 56.597 57.345 -0.012 0.000 1.233 351 W CB 1.166 30.622 29.460 -0.006 0.000 1.413 351 W HN -0.141 nan 8.180 nan 0.000 0.489 352 N N 2.203 121.096 118.700 0.322 0.000 2.314 352 N HA 0.486 5.225 4.740 -0.001 0.000 0.294 352 N C -1.769 173.985 175.510 0.405 0.000 1.029 352 N CA -0.732 52.473 53.050 0.260 0.000 0.845 352 N CB 1.774 40.416 38.487 0.259 0.000 1.321 352 N HN 0.261 nan 8.380 nan 0.000 0.481 353 F N 3.250 123.242 119.950 0.071 0.000 2.403 353 F HA 0.461 4.988 4.527 -0.001 0.000 0.355 353 F C -1.576 174.237 175.800 0.021 0.000 1.119 353 F CA -1.015 57.052 58.000 0.112 0.000 1.007 353 F CB 0.240 39.263 39.000 0.039 0.000 1.194 353 F HN 0.414 nan 8.300 nan 0.000 0.443 354 Y N 4.525 124.567 120.300 -0.430 0.000 2.331 354 Y HA 0.679 5.229 4.550 -0.001 0.000 0.338 354 Y C 0.594 176.007 175.900 -0.813 0.000 0.976 354 Y CA -0.680 57.102 58.100 -0.530 0.000 1.137 354 Y CB 1.636 39.904 38.460 -0.320 0.000 1.172 354 Y HN 0.771 nan 8.280 nan 0.000 0.478 355 G N 0.681 108.844 108.800 -1.061 0.000 2.766 355 G HA2 0.855 4.814 3.960 -0.001 0.000 0.288 355 G HA3 0.855 4.814 3.960 -0.001 0.000 0.288 355 G C -1.830 172.308 174.900 -1.270 0.000 1.408 355 G CA -0.818 43.606 45.100 -1.127 0.000 0.852 355 G HN 0.771 nan 8.290 nan 0.000 0.487 356 A N -0.753 121.707 122.820 -0.600 0.000 2.574 356 A HA 0.748 5.067 4.320 -0.001 0.000 0.297 356 A C -1.353 176.115 177.584 -0.194 0.000 1.062 356 A CA -0.559 51.239 52.037 -0.397 0.000 0.686 356 A CB 1.245 20.094 19.000 -0.251 0.000 1.285 356 A HN 0.916 nan 8.150 nan 0.000 0.403 357 L N 0.733 121.761 121.223 -0.326 0.000 2.331 357 L HA 0.778 5.117 4.340 -0.001 0.000 0.275 357 L C -1.158 175.479 176.870 -0.389 0.000 1.022 357 L CA -0.566 54.173 54.840 -0.169 0.000 0.812 357 L CB 1.098 43.126 42.059 -0.052 0.000 1.257 357 L HN 0.655 nan 8.230 nan 0.000 0.435 358 Y N 0.515 120.902 120.300 0.144 0.000 2.442 358 Y HA 0.794 5.344 4.550 -0.001 0.000 0.344 358 Y C 0.627 176.556 175.900 0.048 0.000 0.976 358 Y CA -0.472 57.703 58.100 0.124 0.000 1.040 358 Y CB 2.374 40.899 38.460 0.108 0.000 1.228 358 Y HN 0.873 nan 8.280 nan 0.000 0.451 359 G N 2.468 111.357 108.800 0.148 0.000 2.373 359 G HA2 -0.012 3.947 3.960 -0.001 0.000 0.634 359 G HA3 -0.012 3.947 3.960 -0.001 0.000 0.634 359 G C -3.376 171.544 174.900 0.034 0.000 1.267 359 G CA -1.508 43.629 45.100 0.062 0.000 1.008 359 G HN 0.369 nan 8.290 nan 0.000 0.497 360 P HA 0.234 nan 4.420 nan 0.000 0.271 360 P C 0.859 178.167 177.300 0.013 0.000 1.218 360 P CA -0.166 62.941 63.100 0.011 0.000 0.780 360 P CB 0.996 32.699 31.700 0.006 0.000 0.901 361 E N 4.294 124.497 120.200 0.005 0.000 2.086 361 E HA -0.207 4.143 4.350 -0.001 0.000 0.200 361 E C -0.819 175.790 176.600 0.016 0.000 1.012 361 E CA 2.318 58.719 56.400 0.002 0.000 0.812 361 E CB -1.837 27.861 29.700 -0.003 0.000 0.743 361 E HN 0.346 nan 8.360 nan 0.000 0.453 362 P HA -0.183 nan 4.420 nan 0.000 0.218 362 P C 1.592 178.912 177.300 0.034 0.000 1.152 362 P CA 1.464 64.579 63.100 0.024 0.000 0.857 362 P CB -0.147 31.564 31.700 0.018 0.000 0.787 363 I N -1.794 118.799 120.570 0.038 0.000 2.429 363 I HA -0.069 4.101 4.170 -0.001 0.000 0.247 363 I C 2.699 178.858 176.117 0.071 0.000 1.099 363 I CA 0.700 62.031 61.300 0.052 0.000 1.422 363 I CB -0.257 37.775 38.000 0.052 0.000 1.112 363 I HN -0.256 nan 8.210 nan 0.000 0.430 364 R N 0.368 120.903 120.500 0.059 0.000 2.113 364 R HA -0.244 4.095 4.340 -0.001 0.000 0.244 364 R C 2.388 178.753 176.300 0.108 0.000 1.142 364 R CA 1.644 57.779 56.100 0.059 0.000 0.953 364 R CB -0.480 29.809 30.300 -0.018 0.000 0.860 364 R HN 0.263 nan 8.270 nan 0.000 0.438 365 R N 0.263 120.817 120.500 0.090 0.000 2.159 365 R HA -0.221 4.119 4.340 -0.001 0.000 0.252 365 R C 2.067 178.450 176.300 0.138 0.000 1.144 365 R CA 2.217 58.390 56.100 0.121 0.000 0.961 365 R CB -0.234 30.110 30.300 0.072 0.000 0.877 365 R HN 0.123 nan 8.270 nan 0.000 0.444 366 V N 0.639 120.614 119.914 0.101 0.000 2.500 366 V HA -0.141 3.978 4.120 -0.001 0.000 0.243 366 V C 2.242 178.387 176.094 0.085 0.000 1.039 366 V CA 1.202 63.545 62.300 0.072 0.000 1.053 366 V CB -0.289 31.565 31.823 0.051 0.000 0.695 366 V HN 0.292 nan 8.190 nan 0.000 0.463 367 L N -0.763 120.535 121.223 0.125 0.000 2.012 367 L HA -0.262 4.077 4.340 -0.001 0.000 0.210 367 L C 2.437 179.421 176.870 0.190 0.000 1.073 367 L CA 2.302 57.234 54.840 0.155 0.000 0.748 367 L CB -0.702 41.472 42.059 0.192 0.000 0.891 367 L HN 0.506 nan 8.230 nan 0.000 0.431 368 W N 1.550 122.829 121.300 -0.034 0.000 2.363 368 W HA -0.199 4.460 4.660 -0.001 0.000 0.296 368 W C 2.224 178.665 176.519 -0.130 0.000 1.212 368 W CA 1.461 58.746 57.345 -0.099 0.000 1.260 368 W CB 0.136 29.560 29.460 -0.059 0.000 1.131 368 W HN 0.256 nan 8.180 nan 0.000 0.530 369 E N -0.566 119.555 120.200 -0.132 0.000 2.107 369 E HA -0.159 4.191 4.350 -0.001 0.000 0.191 369 E C 2.097 178.553 176.600 -0.240 0.000 0.982 369 E CA 1.897 58.141 56.400 -0.260 0.000 0.809 369 E CB -0.139 29.495 29.700 -0.111 0.000 0.756 369 E HN 0.095 nan 8.360 nan 0.000 0.459 370 T N 1.064 115.546 114.554 -0.121 0.000 2.674 370 T HA -0.155 4.194 4.350 -0.001 0.000 0.265 370 T C 1.933 176.574 174.700 -0.098 0.000 1.039 370 T CA 1.085 63.136 62.100 -0.081 0.000 1.150 370 T CB -0.207 68.656 68.868 -0.009 0.000 0.864 370 T HN 0.097 nan 8.240 nan 0.000 0.427 371 I N 0.513 121.031 120.570 -0.086 0.000 2.163 371 I HA -0.157 4.013 4.170 -0.001 0.000 0.240 371 I C 2.656 178.731 176.117 -0.071 0.000 1.081 371 I CA 1.323 62.638 61.300 0.024 0.000 1.353 371 I CB -0.283 37.782 38.000 0.109 0.000 1.054 371 I HN 0.145 nan 8.210 nan 0.000 0.407 372 K N 0.679 120.685 120.400 -0.657 0.000 2.000 372 K HA -0.330 3.989 4.320 -0.001 0.000 0.218 372 K C 1.812 178.213 176.600 -0.332 0.000 1.053 372 K CA 2.599 58.301 56.287 -0.975 0.000 0.946 372 K CB -0.372 31.188 32.500 -1.566 0.000 0.723 372 K HN 0.262 nan 8.250 nan 0.000 0.446 373 D N -0.689 119.521 120.400 -0.316 0.000 2.228 373 D HA -0.175 4.464 4.640 -0.001 0.000 0.203 373 D C 1.497 177.752 176.300 -0.074 0.000 0.988 373 D CA 1.283 55.186 54.000 -0.161 0.000 0.864 373 D CB 0.087 40.789 40.800 -0.163 0.000 0.928 373 D HN 0.351 nan 8.370 nan 0.000 0.469 374 A N -0.737 122.051 122.820 -0.054 0.000 1.930 374 A HA 0.029 4.348 4.320 -0.001 0.000 0.215 374 A C 1.533 179.029 177.584 -0.147 0.000 1.176 374 A CA 0.453 52.421 52.037 -0.115 0.000 0.632 374 A CB -0.616 18.283 19.000 -0.169 0.000 0.819 374 A HN 0.315 nan 8.150 nan 0.000 0.445 375 F N 0.396 120.355 119.950 0.014 0.000 2.731 375 F HA 0.130 4.656 4.527 -0.001 0.000 0.304 375 F C 2.042 177.886 175.800 0.074 0.000 1.133 375 F CA 0.412 58.446 58.000 0.058 0.000 1.380 375 F CB 0.223 39.317 39.000 0.156 0.000 1.079 375 F HN 0.099 nan 8.300 nan 0.000 0.550 376 S N -0.124 115.681 115.700 0.176 0.000 2.446 376 S HA 0.007 4.477 4.470 -0.001 0.000 0.225 376 S C 2.246 176.872 174.600 0.043 0.000 1.016 376 S CA 0.705 58.978 58.200 0.122 0.000 0.943 376 S CB -0.116 63.125 63.200 0.068 0.000 0.786 376 S HN 0.341 nan 8.310 nan 0.000 0.508 377 A N 0.789 123.611 122.820 0.002 0.000 2.248 377 A HA 0.189 4.509 4.320 -0.001 0.000 0.210 377 A C 0.608 178.182 177.584 -0.017 0.000 1.174 377 A CA 0.461 52.485 52.037 -0.023 0.000 0.750 377 A CB -0.556 18.412 19.000 -0.053 0.000 0.780 377 A HN 0.456 nan 8.150 nan 0.000 0.478 378 I N 1.193 121.767 120.570 0.007 0.000 2.328 378 I HA 0.237 4.407 4.170 -0.001 0.000 0.287 378 I C -2.491 173.627 176.117 0.002 0.000 1.012 378 I CA -2.336 58.969 61.300 0.009 0.000 1.195 378 I CB 1.679 39.702 38.000 0.039 0.000 1.350 378 I HN -0.037 nan 8.210 nan 0.000 0.464 379 P HA 0.114 nan 4.420 nan 0.000 0.264 379 P C 0.840 178.130 177.300 -0.018 0.000 1.193 379 P CA 0.529 63.622 63.100 -0.010 0.000 0.763 379 P CB 0.684 32.380 31.700 -0.006 0.000 0.810 380 G N 1.330 110.111 108.800 -0.031 0.000 2.175 380 G HA2 -0.230 3.730 3.960 -0.001 0.000 0.244 380 G HA3 -0.230 3.730 3.960 -0.001 0.000 0.244 380 G C 0.258 175.112 174.900 -0.077 0.000 0.982 380 G CA -0.059 45.017 45.100 -0.040 0.000 0.641 380 G HN 0.662 nan 8.290 nan 0.000 0.527 381 V N 0.288 120.131 119.914 -0.117 0.000 3.287 381 V HA 0.591 4.711 4.120 -0.001 0.000 0.306 381 V C 0.513 176.382 176.094 -0.374 0.000 1.103 381 V CA 0.851 63.005 62.300 -0.243 0.000 1.159 381 V CB 1.354 33.002 31.823 -0.292 0.000 1.036 381 V HN 0.384 nan 8.190 nan 0.000 0.487 382 K N 3.587 123.659 120.400 -0.547 0.000 2.550 382 K HA 0.447 4.767 4.320 -0.001 0.000 0.252 382 K C -1.940 174.219 176.600 -0.736 0.000 0.943 382 K CA -0.388 55.556 56.287 -0.572 0.000 0.806 382 K CB 1.829 34.147 32.500 -0.304 0.000 1.289 382 K HN 0.498 nan 8.250 nan 0.000 0.435 383 F N 2.712 122.437 119.950 -0.375 0.000 2.427 383 F HA 0.443 4.970 4.527 -0.001 0.000 0.346 383 F C -0.528 175.014 175.800 -0.429 0.000 1.120 383 F CA -0.585 57.270 58.000 -0.241 0.000 1.033 383 F CB 0.879 39.799 39.000 -0.134 0.000 1.126 383 F HN 0.313 nan 8.300 nan 0.000 0.462 384 Y N 2.782 123.158 120.300 0.126 0.000 2.376 384 Y HA 0.551 5.101 4.550 -0.001 0.000 0.340 384 Y C -0.573 175.384 175.900 0.096 0.000 0.965 384 Y CA -1.206 56.908 58.100 0.024 0.000 1.078 384 Y CB 1.256 39.718 38.460 0.004 0.000 1.193 384 Y HN 0.330 nan 8.280 nan 0.000 0.452 385 F N 3.242 123.272 119.950 0.133 0.000 2.380 385 F HA 0.376 4.903 4.527 -0.001 0.000 0.321 385 F C -1.343 174.468 175.800 0.019 0.000 1.103 385 F CA -3.090 54.908 58.000 -0.004 0.000 1.067 385 F CB 0.581 39.536 39.000 -0.075 0.000 1.265 385 F HN 0.300 nan 8.300 nan 0.000 0.517 386 P HA -0.182 nan 4.420 nan 0.000 0.214 386 P C 1.330 178.677 177.300 0.079 0.000 1.163 386 P CA 1.940 65.082 63.100 0.069 0.000 0.889 386 P CB 0.126 31.827 31.700 0.001 0.000 0.790 387 E N -0.024 120.226 120.200 0.082 0.000 2.197 387 E HA -0.238 4.112 4.350 -0.001 0.000 0.205 387 E C 1.023 177.675 176.600 0.087 0.000 1.029 387 E CA 1.399 57.844 56.400 0.075 0.000 0.828 387 E CB -1.081 28.666 29.700 0.079 0.000 0.737 387 E HN 0.437 nan 8.360 nan 0.000 0.464 388 D N 0.836 121.313 120.400 0.128 0.000 2.352 388 D HA -0.018 4.622 4.640 -0.001 0.000 0.232 388 D C 0.748 177.120 176.300 0.121 0.000 1.055 388 D CA 0.540 54.629 54.000 0.149 0.000 0.891 388 D CB -0.037 40.905 40.800 0.237 0.000 0.897 388 D HN 0.243 nan 8.370 nan 0.000 0.529 389 T N -2.327 112.260 114.554 0.056 0.000 2.950 389 T HA 0.544 4.894 4.350 -0.001 0.000 0.288 389 T C -2.624 172.076 174.700 0.000 0.000 1.035 389 T CA -2.103 59.989 62.100 -0.013 0.000 1.028 389 T CB 1.872 70.700 68.868 -0.068 0.000 1.109 389 T HN -0.333 nan 8.240 nan 0.000 0.514 390 P HA 0.013 nan 4.420 nan 0.000 0.272 390 P C 0.719 178.025 177.300 0.009 0.000 1.210 390 P CA 0.010 63.111 63.100 0.002 0.000 0.789 390 P CB 0.446 32.144 31.700 -0.003 0.000 0.849 391 E N 1.140 121.349 120.200 0.016 0.000 2.340 391 E HA -0.099 4.250 4.350 -0.001 0.000 0.194 391 E C 1.047 177.659 176.600 0.021 0.000 0.996 391 E CA 0.450 56.861 56.400 0.019 0.000 0.869 391 E CB -0.082 29.629 29.700 0.019 0.000 0.835 391 E HN 0.427 nan 8.360 nan 0.000 0.493 392 N N 0.811 119.525 118.700 0.023 0.000 2.459 392 N HA -0.127 4.613 4.740 -0.001 0.000 0.181 392 N C 0.870 176.399 175.510 0.031 0.000 1.046 392 N CA 0.610 53.677 53.050 0.029 0.000 0.904 392 N CB -0.834 37.673 38.487 0.034 0.000 0.964 392 N HN -0.053 nan 8.380 nan 0.000 0.444 393 S N -0.179 115.535 115.700 0.024 0.000 2.571 393 S HA -0.043 4.427 4.470 -0.001 0.000 0.298 393 S C 1.483 176.106 174.600 0.037 0.000 1.280 393 S CA -0.342 57.873 58.200 0.024 0.000 1.052 393 S CB 0.518 63.720 63.200 0.003 0.000 0.799 393 S HN 0.030 nan 8.310 nan 0.000 0.501 394 V N 3.990 123.934 119.914 0.051 0.000 2.287 394 V HA -0.171 3.949 4.120 -0.001 0.000 0.248 394 V C 2.427 178.568 176.094 0.079 0.000 1.053 394 V CA 2.006 64.329 62.300 0.039 0.000 1.027 394 V CB -1.202 30.631 31.823 0.018 0.000 0.646 394 V HN 0.898 nan 8.190 nan 0.000 0.447 395 L N 0.315 121.656 121.223 0.196 0.000 2.043 395 L HA -0.187 4.153 4.340 -0.001 0.000 0.212 395 L C 2.492 179.407 176.870 0.076 0.000 1.075 395 L CA 1.995 56.957 54.840 0.205 0.000 0.752 395 L CB -0.823 41.287 42.059 0.085 0.000 0.891 395 L HN 0.164 nan 8.230 nan 0.000 0.432 396 R N -1.327 119.199 120.500 0.044 0.000 2.115 396 R HA -0.084 4.255 4.340 -0.001 0.000 0.230 396 R C 2.095 178.403 176.300 0.015 0.000 1.111 396 R CA 1.349 57.463 56.100 0.024 0.000 0.976 396 R CB -0.144 30.168 30.300 0.021 0.000 0.870 396 R HN 0.362 nan 8.270 nan 0.000 0.445 397 V N 0.431 120.352 119.914 0.011 0.000 2.302 397 V HA -0.178 3.941 4.120 -0.001 0.000 0.243 397 V C 2.191 178.270 176.094 -0.024 0.000 1.036 397 V CA 1.535 63.830 62.300 -0.007 0.000 1.020 397 V CB -0.343 31.475 31.823 -0.009 0.000 0.657 397 V HN 0.305 nan 8.190 nan 0.000 0.453 398 R N -0.049 120.433 120.500 -0.031 0.000 2.193 398 R HA -0.195 4.145 4.340 -0.001 0.000 0.229 398 R C 1.949 178.247 176.300 -0.003 0.000 1.110 398 R CA 1.509 57.576 56.100 -0.055 0.000 0.988 398 R CB -0.479 29.748 30.300 -0.122 0.000 0.871 398 R HN 0.580 nan 8.270 nan 0.000 0.458 399 D N 1.080 121.493 120.400 0.022 0.000 2.203 399 D HA -0.183 4.457 4.640 -0.001 0.000 0.199 399 D C 1.410 177.759 176.300 0.081 0.000 0.997 399 D CA 1.470 55.507 54.000 0.062 0.000 0.863 399 D CB 0.226 41.044 40.800 0.031 0.000 0.928 399 D HN 0.169 nan 8.370 nan 0.000 0.458 400 K N -1.231 119.166 120.400 -0.006 0.000 2.186 400 K HA 0.032 4.352 4.320 -0.001 0.000 0.202 400 K C 1.984 178.520 176.600 -0.106 0.000 1.052 400 K CA 1.083 57.321 56.287 -0.081 0.000 0.965 400 K CB 0.161 32.605 32.500 -0.092 0.000 0.746 400 K HN 0.075 nan 8.250 nan 0.000 0.457 401 T N 1.270 115.793 114.554 -0.053 0.000 2.995 401 T HA 0.027 4.377 4.350 -0.001 0.000 0.269 401 T C 1.392 176.121 174.700 0.048 0.000 1.091 401 T CA 0.920 63.007 62.100 -0.020 0.000 1.128 401 T CB 0.048 68.913 68.868 -0.004 0.000 0.891 401 T HN 0.123 nan 8.240 nan 0.000 0.492 402 M N 1.464 121.105 119.600 0.069 0.000 2.549 402 M HA 0.179 4.659 4.480 -0.001 0.000 0.273 402 M C 1.238 177.597 176.300 0.099 0.000 1.213 402 M CA 0.123 55.537 55.300 0.189 0.000 0.976 402 M CB 0.295 33.047 32.600 0.253 0.000 1.457 402 M HN 0.290 nan 8.290 nan 0.000 0.485 403 Q N -1.597 118.097 119.800 -0.177 0.000 2.073 403 Q HA 0.340 4.679 4.340 -0.001 0.000 0.215 403 Q C 0.546 176.268 176.000 -0.464 0.000 0.776 403 Q CA 0.331 55.821 55.803 -0.521 0.000 1.008 403 Q CB 0.904 28.901 28.738 -1.234 0.000 1.196 403 Q HN 0.301 nan 8.270 nan 0.000 0.458 404 G N 1.581 110.247 108.800 -0.224 0.000 2.203 404 G HA2 -0.199 3.761 3.960 -0.001 0.000 0.231 404 G HA3 -0.199 3.761 3.960 -0.001 0.000 0.231 404 G C -0.335 174.394 174.900 -0.285 0.000 1.058 404 G CA 0.119 45.117 45.100 -0.170 0.000 0.781 404 G HN 0.379 nan 8.290 nan 0.000 0.496 405 I N 1.974 122.343 120.570 -0.336 0.000 2.382 405 I HA 0.345 4.515 4.170 -0.001 0.000 0.285 405 I C -2.004 173.908 176.117 -0.342 0.000 1.007 405 I CA -2.529 58.488 61.300 -0.471 0.000 1.142 405 I CB 2.309 40.074 38.000 -0.393 0.000 1.289 405 I HN -0.072 nan 8.210 nan 0.000 0.453 406 P HA 0.170 nan 4.420 nan 0.000 0.282 406 P C -0.297 176.867 177.300 -0.226 0.000 1.262 406 P CA -0.092 62.868 63.100 -0.233 0.000 0.773 406 P CB 1.306 32.940 31.700 -0.110 0.000 0.879 407 T N 0.622 115.003 114.554 -0.288 0.000 2.819 407 T HA 0.477 4.827 4.350 -0.001 0.000 0.271 407 T C -0.060 174.276 174.700 -0.607 0.000 0.986 407 T CA -0.166 61.778 62.100 -0.261 0.000 0.989 407 T CB 0.898 69.704 68.868 -0.103 0.000 1.396 407 T HN 0.283 nan 8.240 nan 0.000 0.597 408 Y N -1.603 118.728 120.300 0.050 0.000 2.729 408 Y HA 0.273 4.823 4.550 -0.001 0.000 0.266 408 Y C 1.438 177.331 175.900 -0.012 0.000 1.064 408 Y CA -0.604 57.516 58.100 0.034 0.000 1.251 408 Y CB -0.025 38.471 38.460 0.060 0.000 1.379 408 Y HN 0.584 nan 8.280 nan 0.000 0.569 409 D N 1.164 121.624 120.400 0.100 0.000 2.133 409 D HA -0.191 4.449 4.640 -0.001 0.000 0.195 409 D C 1.518 177.839 176.300 0.035 0.000 0.997 409 D CA 1.856 55.895 54.000 0.065 0.000 0.840 409 D CB 0.078 40.906 40.800 0.048 0.000 0.947 409 D HN 0.399 nan 8.370 nan 0.000 0.452 410 E N 0.124 120.337 120.200 0.021 0.000 2.478 410 E HA -0.072 4.278 4.350 -0.001 0.000 0.198 410 E C 1.915 178.418 176.600 -0.161 0.000 1.046 410 E CA -0.107 56.318 56.400 0.043 0.000 0.870 410 E CB 0.026 29.789 29.700 0.105 0.000 0.818 410 E HN 0.377 nan 8.360 nan 0.000 0.527 411 L N 1.142 122.242 121.223 -0.204 0.000 2.261 411 L HA -0.197 4.142 4.340 -0.001 0.000 0.216 411 L C 2.241 178.873 176.870 -0.397 0.000 1.114 411 L CA 1.235 55.846 54.840 -0.383 0.000 0.777 411 L CB -0.161 41.743 42.059 -0.258 0.000 0.910 411 L HN 0.084 nan 8.230 nan 0.000 0.440 412 K N 0.059 120.342 120.400 -0.194 0.000 2.148 412 K HA -0.194 4.126 4.320 -0.001 0.000 0.204 412 K C 1.984 178.570 176.600 -0.022 0.000 1.050 412 K CA 1.596 57.834 56.287 -0.082 0.000 0.942 412 K CB -0.303 32.212 32.500 0.025 0.000 0.724 412 K HN 0.636 nan 8.250 nan 0.000 0.446 413 W N 0.619 121.922 121.300 0.005 0.000 2.421 413 W HA -0.118 4.542 4.660 -0.001 0.000 0.270 413 W C 1.174 177.711 176.519 0.029 0.000 1.233 413 W CA 0.190 57.558 57.345 0.038 0.000 1.226 413 W CB -0.842 28.616 29.460 -0.004 0.000 1.121 413 W HN -0.108 nan 8.180 nan 0.000 0.579 414 I N 1.758 122.112 120.570 -0.361 0.000 2.381 414 I HA -0.287 3.883 4.170 -0.001 0.000 0.255 414 I C 1.067 177.161 176.117 -0.038 0.000 1.140 414 I CA 1.570 62.660 61.300 -0.350 0.000 1.404 414 I CB -0.584 37.056 38.000 -0.600 0.000 1.075 414 I HN -0.130 nan 8.210 nan 0.000 0.433 415 D N -0.376 120.047 120.400 0.039 0.000 2.395 415 D HA -0.064 4.575 4.640 -0.001 0.000 0.226 415 D C 1.369 177.766 176.300 0.161 0.000 1.146 415 D CA -0.054 53.981 54.000 0.058 0.000 0.830 415 D CB -0.143 40.661 40.800 0.007 0.000 0.958 415 D HN 0.486 nan 8.370 nan 0.000 0.501 416 W N 0.954 122.304 121.300 0.084 0.000 2.421 416 W HA -0.041 4.618 4.660 -0.001 0.000 0.270 416 W C -0.526 176.040 176.519 0.078 0.000 1.233 416 W CA 0.842 58.256 57.345 0.115 0.000 1.226 416 W CB 0.426 29.978 29.460 0.153 0.000 1.121 416 W HN -0.035 nan 8.180 nan 0.000 0.579 417 L N 0.253 121.521 121.223 0.075 0.000 2.409 417 L HA 0.215 4.555 4.340 -0.001 0.000 0.262 417 L C -0.988 175.864 176.870 -0.030 0.000 0.992 417 L CA -2.134 52.690 54.840 -0.027 0.000 0.817 417 L CB 1.646 43.749 42.059 0.074 0.000 1.350 417 L HN -0.418 nan 8.230 nan 0.000 0.411 418 P HA -0.250 nan 4.420 nan 0.000 0.214 418 P C -0.144 177.129 177.300 -0.046 0.000 0.989 418 P CA 1.588 64.663 63.100 -0.042 0.000 1.008 418 P CB -0.017 31.669 31.700 -0.023 0.000 0.747 419 N N 0.143 118.815 118.700 -0.047 0.000 2.678 419 N HA 0.244 4.983 4.740 -0.001 0.000 0.231 419 N C 0.287 175.706 175.510 -0.151 0.000 1.038 419 N CA -0.040 52.964 53.050 -0.077 0.000 0.932 419 N CB 0.412 38.872 38.487 -0.046 0.000 1.176 419 N HN 0.073 nan 8.380 nan 0.000 0.511 420 G N 1.145 109.852 108.800 -0.155 0.000 2.178 420 G HA2 0.355 4.315 3.960 -0.001 0.000 0.244 420 G HA3 0.355 4.315 3.960 -0.001 0.000 0.244 420 G C -0.310 174.398 174.900 -0.322 0.000 1.213 420 G CA -0.094 44.887 45.100 -0.198 0.000 0.912 420 G HN 0.566 nan 8.290 nan 0.000 0.474 421 A N 3.554 126.155 122.820 -0.365 0.000 2.513 421 A HA 0.672 4.991 4.320 -0.001 0.000 0.296 421 A C -0.536 176.915 177.584 -0.222 0.000 1.052 421 A CA -0.861 51.012 52.037 -0.273 0.000 0.714 421 A CB 1.223 19.668 19.000 -0.926 0.000 1.279 421 A HN 1.226 nan 8.150 nan 0.000 0.397 422 H N 0.690 119.704 119.070 -0.094 0.000 2.676 422 H HA 0.920 5.476 4.556 -0.001 0.000 0.352 422 H C -1.206 174.031 175.328 -0.151 0.000 1.193 422 H CA -2.125 53.786 56.048 -0.228 0.000 1.243 422 H CB 1.358 30.889 29.762 -0.385 0.000 1.751 422 H HN 1.119 nan 8.280 nan 0.000 0.567 423 L N 0.612 121.699 121.223 -0.227 0.000 2.565 423 L HA 0.474 4.813 4.340 -0.001 0.000 0.261 423 L C -2.177 174.484 176.870 -0.348 0.000 0.932 423 L CA -0.495 54.223 54.840 -0.203 0.000 0.878 423 L CB 1.552 43.683 42.059 0.121 0.000 1.333 423 L HN 0.466 nan 8.230 nan 0.000 0.409 424 F N 4.756 124.647 119.950 -0.098 0.000 2.421 424 F HA 0.579 5.106 4.527 -0.001 0.000 0.337 424 F C -0.546 175.351 175.800 0.162 0.000 1.105 424 F CA -0.349 57.625 58.000 -0.043 0.000 1.049 424 F CB 1.735 40.596 39.000 -0.231 0.000 1.139 424 F HN 0.372 nan 8.300 nan 0.000 0.479 425 F N 2.232 122.301 119.950 0.198 0.000 2.427 425 F HA 0.528 5.055 4.527 -0.001 0.000 0.348 425 F C -0.452 175.426 175.800 0.130 0.000 1.125 425 F CA -1.065 57.004 58.000 0.114 0.000 0.989 425 F CB 1.330 40.318 39.000 -0.021 0.000 1.165 425 F HN 0.318 nan 8.300 nan 0.000 0.442 426 S N 7.823 123.328 115.700 -0.325 0.000 2.062 426 S HA 0.331 4.801 4.470 -0.001 0.000 0.163 426 S C -2.788 171.575 174.600 -0.395 0.000 1.612 426 S CA -1.150 56.897 58.200 -0.255 0.000 1.251 426 S CB 0.094 63.409 63.200 0.193 0.000 1.174 426 S HN 0.439 nan 8.310 nan 0.000 0.428 427 P HA 0.300 nan 4.420 nan 0.000 0.274 427 P C -0.658 176.490 177.300 -0.254 0.000 1.260 427 P CA -0.408 62.439 63.100 -0.422 0.000 0.793 427 P CB 0.678 32.103 31.700 -0.458 0.000 1.048 428 I N -0.235 120.266 120.570 -0.114 0.000 2.465 428 I HA 0.497 4.667 4.170 -0.001 0.000 0.291 428 I C 0.294 176.383 176.117 -0.048 0.000 1.014 428 I CA -1.011 60.219 61.300 -0.116 0.000 1.093 428 I CB 1.024 38.968 38.000 -0.093 0.000 1.267 428 I HN 0.401 nan 8.210 nan 0.000 0.431 429 A N 5.974 128.744 122.820 -0.082 0.000 2.354 429 A HA 0.656 4.975 4.320 -0.001 0.000 0.321 429 A C -0.049 177.575 177.584 0.067 0.000 1.125 429 A CA -0.739 51.260 52.037 -0.065 0.000 0.799 429 A CB 1.174 20.061 19.000 -0.189 0.000 1.293 429 A HN 0.671 nan 8.150 nan 0.000 0.452 430 K N -0.339 120.137 120.400 0.126 0.000 2.397 430 K HA 0.234 4.553 4.320 -0.001 0.000 0.265 430 K C 0.079 176.693 176.600 0.023 0.000 0.982 430 K CA 0.196 56.535 56.287 0.087 0.000 0.931 430 K CB 0.419 32.981 32.500 0.104 0.000 0.943 430 K HN 0.340 nan 8.250 nan 0.000 0.501 431 V N 2.649 122.568 119.914 0.008 0.000 3.226 431 V HA 0.010 4.130 4.120 -0.001 0.000 0.385 431 V C -0.008 176.049 176.094 -0.061 0.000 1.268 431 V CA -0.026 62.253 62.300 -0.035 0.000 1.443 431 V CB -0.985 30.830 31.823 -0.014 0.000 1.290 431 V HN 0.687 nan 8.190 nan 0.000 0.490 432 S N -0.046 115.619 115.700 -0.057 0.000 2.509 432 S HA 0.609 5.079 4.470 -0.001 0.000 0.297 432 S C 1.337 175.865 174.600 -0.120 0.000 1.118 432 S CA 0.091 58.249 58.200 -0.070 0.000 1.074 432 S CB 1.937 65.124 63.200 -0.022 0.000 1.038 432 S HN 0.380 nan 8.310 nan 0.000 0.498 433 G N 1.593 110.308 108.800 -0.142 0.000 2.418 433 G HA2 -0.196 3.764 3.960 -0.001 0.000 0.217 433 G HA3 -0.196 3.764 3.960 -0.001 0.000 0.217 433 G C 1.096 175.921 174.900 -0.124 0.000 1.158 433 G CA 0.945 45.936 45.100 -0.182 0.000 0.771 433 G HN 0.891 nan 8.290 nan 0.000 0.545 434 E N 0.245 120.407 120.200 -0.063 0.000 2.049 434 E HA -0.233 4.117 4.350 -0.001 0.000 0.198 434 E C 2.031 178.650 176.600 0.032 0.000 1.007 434 E CA 1.629 58.022 56.400 -0.012 0.000 0.809 434 E CB -0.204 29.499 29.700 0.006 0.000 0.749 434 E HN 0.416 nan 8.360 nan 0.000 0.450 435 D N -0.770 119.661 120.400 0.050 0.000 2.183 435 D HA -0.034 4.606 4.640 -0.001 0.000 0.203 435 D C 1.764 178.122 176.300 0.098 0.000 0.969 435 D CA 1.231 55.325 54.000 0.156 0.000 0.842 435 D CB -0.035 40.875 40.800 0.183 0.000 0.957 435 D HN 0.287 nan 8.370 nan 0.000 0.484 436 A N 0.230 123.023 122.820 -0.045 0.000 1.902 436 A HA -0.157 4.163 4.320 -0.001 0.000 0.217 436 A C 2.107 179.673 177.584 -0.030 0.000 1.181 436 A CA 1.243 53.193 52.037 -0.145 0.000 0.623 436 A CB -0.494 18.222 19.000 -0.473 0.000 0.818 436 A HN 0.191 nan 8.150 nan 0.000 0.443 437 M N -1.182 118.402 119.600 -0.026 0.000 2.065 437 M HA -0.176 4.304 4.480 -0.001 0.000 0.259 437 M C 2.348 178.754 176.300 0.176 0.000 1.069 437 M CA 2.165 57.522 55.300 0.094 0.000 1.110 437 M CB -1.236 31.399 32.600 0.057 0.000 1.328 437 M HN 0.623 nan 8.290 nan 0.000 0.405 438 M N -0.166 119.536 119.600 0.170 0.000 2.088 438 M HA -0.329 4.150 4.480 -0.001 0.000 0.256 438 M C 2.254 178.709 176.300 0.258 0.000 1.071 438 M CA 2.041 57.495 55.300 0.257 0.000 1.097 438 M CB -0.377 32.460 32.600 0.395 0.000 1.315 438 M HN 0.305 nan 8.290 nan 0.000 0.406 439 Q N -1.336 118.485 119.800 0.036 0.000 2.170 439 Q HA -0.248 4.092 4.340 -0.001 0.000 0.203 439 Q C 1.898 177.934 176.000 0.059 0.000 0.976 439 Q CA 1.881 57.502 55.803 -0.304 0.000 0.858 439 Q CB -0.283 28.007 28.738 -0.746 0.000 0.907 439 Q HN 0.737 nan 8.270 nan 0.000 0.433 440 Y N -0.141 120.215 120.300 0.093 0.000 2.263 440 Y HA -0.065 4.484 4.550 -0.001 0.000 0.292 440 Y C 1.883 177.764 175.900 -0.032 0.000 1.130 440 Y CA 1.287 59.442 58.100 0.091 0.000 1.179 440 Y CB -0.507 38.053 38.460 0.166 0.000 0.998 440 Y HN 0.127 nan 8.280 nan 0.000 0.532 441 A N -0.839 121.905 122.820 -0.126 0.000 2.015 441 A HA -0.048 4.271 4.320 -0.001 0.000 0.219 441 A C 2.275 179.802 177.584 -0.095 0.000 1.163 441 A CA 1.657 53.575 52.037 -0.197 0.000 0.646 441 A CB -1.058 17.915 19.000 -0.046 0.000 0.806 441 A HN 0.333 nan 8.150 nan 0.000 0.448 442 V N -1.144 118.778 119.914 0.014 0.000 2.535 442 V HA -0.117 4.002 4.120 -0.001 0.000 0.246 442 V C 2.642 178.750 176.094 0.024 0.000 1.045 442 V CA 2.256 64.598 62.300 0.069 0.000 1.058 442 V CB -0.559 31.400 31.823 0.226 0.000 0.689 442 V HN 0.556 nan 8.190 nan 0.000 0.461 443 T N -0.707 113.852 114.554 0.008 0.000 2.851 443 T HA -0.132 4.218 4.350 -0.001 0.000 0.262 443 T C 1.956 176.657 174.700 0.001 0.000 1.043 443 T CA 1.443 63.565 62.100 0.038 0.000 1.140 443 T CB -0.021 68.919 68.868 0.119 0.000 0.872 443 T HN 0.343 nan 8.240 nan 0.000 0.446 444 K N 1.189 121.476 120.400 -0.188 0.000 2.009 444 K HA -0.160 4.159 4.320 -0.001 0.000 0.210 444 K C 2.309 178.849 176.600 -0.101 0.000 1.049 444 K CA 1.615 57.746 56.287 -0.260 0.000 0.929 444 K CB -0.101 32.021 32.500 -0.629 0.000 0.714 444 K HN 0.108 nan 8.250 nan 0.000 0.440 445 K N 0.224 120.566 120.400 -0.095 0.000 2.015 445 K HA -0.188 4.132 4.320 -0.001 0.000 0.216 445 K C 2.015 178.633 176.600 0.031 0.000 1.052 445 K CA 1.754 58.026 56.287 -0.024 0.000 0.937 445 K CB 0.003 32.495 32.500 -0.013 0.000 0.719 445 K HN 0.049 nan 8.250 nan 0.000 0.446 446 R N -0.001 120.515 120.500 0.027 0.000 2.285 446 R HA -0.050 4.290 4.340 -0.001 0.000 0.213 446 R C 2.225 178.584 176.300 0.097 0.000 1.068 446 R CA 0.686 56.818 56.100 0.053 0.000 1.004 446 R CB -0.922 29.333 30.300 -0.075 0.000 0.873 446 R HN 0.380 nan 8.270 nan 0.000 0.467 447 C N 0.035 119.385 119.300 0.084 0.000 2.492 447 C HA 0.005 4.465 4.460 -0.001 0.000 0.279 447 C C 2.654 177.718 174.990 0.124 0.000 1.335 447 C CA 0.318 59.404 59.018 0.114 0.000 1.734 447 C CB -0.265 27.562 27.740 0.146 0.000 2.027 447 C HN 0.405 nan 8.230 nan 0.000 0.496 448 Q N 1.044 120.905 119.800 0.101 0.000 2.049 448 Q HA -0.098 4.242 4.340 -0.001 0.000 0.198 448 Q C 1.988 178.048 176.000 0.100 0.000 0.971 448 Q CA 1.498 57.356 55.803 0.092 0.000 0.833 448 Q CB -0.259 28.517 28.738 0.064 0.000 0.896 448 Q HN 0.597 nan 8.270 nan 0.000 0.434 449 E N -0.483 119.790 120.200 0.121 0.000 2.169 449 E HA -0.269 4.081 4.350 -0.001 0.000 0.202 449 E C 1.392 178.066 176.600 0.123 0.000 1.016 449 E CA 1.216 57.693 56.400 0.130 0.000 0.817 449 E CB -0.204 29.639 29.700 0.239 0.000 0.736 449 E HN 0.405 nan 8.360 nan 0.000 0.462 450 A N -0.206 122.738 122.820 0.207 0.000 2.251 450 A HA 0.288 4.608 4.320 -0.001 0.000 0.209 450 A C 1.726 179.384 177.584 0.123 0.000 1.187 450 A CA 0.754 52.905 52.037 0.191 0.000 0.823 450 A CB -0.087 19.074 19.000 0.269 0.000 0.846 450 A HN 0.338 nan 8.150 nan 0.000 0.486 451 G N -1.077 107.789 108.800 0.109 0.000 2.153 451 G HA2 -0.232 3.728 3.960 -0.001 0.000 0.252 451 G HA3 -0.232 3.728 3.960 -0.001 0.000 0.252 451 G C 0.142 175.119 174.900 0.128 0.000 0.994 451 G CA 0.608 45.769 45.100 0.101 0.000 0.698 451 G HN 0.442 nan 8.290 nan 0.000 0.521 452 L N 0.028 121.336 121.223 0.142 0.000 2.431 452 L HA 0.466 4.806 4.340 -0.001 0.000 0.260 452 L C 0.532 177.505 176.870 0.171 0.000 1.098 452 L CA -0.997 53.943 54.840 0.166 0.000 0.800 452 L CB 0.510 42.661 42.059 0.152 0.000 1.210 452 L HN 0.070 nan 8.230 nan 0.000 0.465 453 D N 0.081 120.598 120.400 0.195 0.000 2.329 453 D HA 0.161 4.801 4.640 -0.001 0.000 0.246 453 D C -0.851 175.505 176.300 0.093 0.000 1.111 453 D CA -0.100 53.993 54.000 0.156 0.000 0.941 453 D CB 1.713 42.604 40.800 0.152 0.000 1.169 453 D HN 0.146 nan 8.370 nan 0.000 0.441 454 F N 1.534 121.438 119.950 -0.076 0.000 2.411 454 F HA 0.418 4.945 4.527 -0.001 0.000 0.350 454 F C -0.655 174.955 175.800 -0.317 0.000 1.114 454 F CA -0.402 57.503 58.000 -0.158 0.000 1.135 454 F CB 0.339 39.252 39.000 -0.145 0.000 1.120 454 F HN 0.133 nan 8.300 nan 0.000 0.495 455 I N 5.918 125.888 120.570 -1.000 0.000 2.534 455 I HA 0.708 4.877 4.170 -0.001 0.000 0.288 455 I C -0.070 175.431 176.117 -1.027 0.000 1.077 455 I CA -0.500 60.263 61.300 -0.895 0.000 1.051 455 I CB 1.768 39.356 38.000 -0.686 0.000 1.234 455 I HN 0.783 nan 8.210 nan 0.000 0.425 456 G N 3.039 111.373 108.800 -0.777 0.000 2.649 456 G HA2 0.828 4.788 3.960 -0.001 0.000 0.290 456 G HA3 0.828 4.788 3.960 -0.001 0.000 0.290 456 G C -1.506 173.312 174.900 -0.138 0.000 1.426 456 G CA -0.558 44.272 45.100 -0.450 0.000 0.794 456 G HN 0.423 nan 8.290 nan 0.000 0.483 457 T N -0.322 114.160 114.554 -0.121 0.000 2.956 457 T HA 0.569 4.919 4.350 -0.001 0.000 0.312 457 T C -1.414 173.164 174.700 -0.203 0.000 1.151 457 T CA -0.426 61.658 62.100 -0.026 0.000 1.024 457 T CB 1.655 70.497 68.868 -0.044 0.000 1.140 457 T HN 0.337 nan 8.240 nan 0.000 0.473 458 F N 2.297 122.229 119.950 -0.030 0.000 2.415 458 F HA 0.503 5.030 4.527 -0.001 0.000 0.348 458 F C 1.205 177.009 175.800 0.008 0.000 1.119 458 F CA -0.730 57.214 58.000 -0.093 0.000 1.069 458 F CB 1.583 40.480 39.000 -0.171 0.000 1.124 458 F HN 0.594 nan 8.300 nan 0.000 0.472 459 T N 0.623 115.274 114.554 0.163 0.000 2.749 459 T HA 0.548 4.898 4.350 -0.001 0.000 0.287 459 T C -0.533 174.234 174.700 0.112 0.000 0.970 459 T CA -0.857 61.326 62.100 0.137 0.000 0.980 459 T CB 0.797 69.707 68.868 0.070 0.000 0.924 459 T HN 0.283 nan 8.240 nan 0.000 0.456 460 V N 3.844 123.849 119.914 0.152 0.000 2.356 460 V HA 0.566 4.686 4.120 -0.001 0.000 0.258 460 V C 1.230 177.383 176.094 0.097 0.000 1.065 460 V CA -0.619 61.763 62.300 0.137 0.000 0.935 460 V CB -0.163 31.770 31.823 0.184 0.000 1.061 460 V HN 1.121 nan 8.190 nan 0.000 0.484 461 G N 2.663 111.506 108.800 0.071 0.000 2.477 461 G HA2 0.434 4.393 3.960 -0.001 0.000 0.304 461 G HA3 0.434 4.393 3.960 -0.001 0.000 0.304 461 G C 0.631 175.578 174.900 0.078 0.000 1.175 461 G CA -0.768 44.367 45.100 0.060 0.000 0.907 461 G HN 0.594 nan 8.290 nan 0.000 0.509 462 M N -0.017 119.628 119.600 0.075 0.000 2.124 462 M HA -0.194 4.286 4.480 -0.001 0.000 0.253 462 M C 2.205 178.542 176.300 0.061 0.000 1.077 462 M CA 2.044 57.386 55.300 0.071 0.000 1.085 462 M CB -0.079 32.561 32.600 0.067 0.000 1.320 462 M HN 0.600 nan 8.290 nan 0.000 0.404 463 R N -1.602 118.936 120.500 0.063 0.000 2.556 463 R HA 0.149 4.489 4.340 -0.001 0.000 0.276 463 R C -0.571 175.765 176.300 0.060 0.000 0.931 463 R CA 0.247 56.379 56.100 0.053 0.000 1.061 463 R CB 0.831 31.161 30.300 0.050 0.000 1.432 463 R HN 0.453 nan 8.270 nan 0.000 0.547 464 E N -0.180 120.068 120.200 0.080 0.000 2.320 464 E HA 0.486 4.835 4.350 -0.001 0.000 0.264 464 E C -0.763 175.911 176.600 0.123 0.000 0.923 464 E CA -0.715 55.742 56.400 0.095 0.000 0.796 464 E CB 1.609 31.374 29.700 0.107 0.000 1.262 464 E HN -0.155 nan 8.360 nan 0.000 0.428 465 M N 1.561 121.238 119.600 0.129 0.000 2.224 465 M HA 0.276 4.755 4.480 -0.001 0.000 0.281 465 M C -1.621 174.782 176.300 0.172 0.000 1.025 465 M CA -0.733 54.674 55.300 0.179 0.000 0.954 465 M CB 1.936 34.627 32.600 0.151 0.000 1.639 465 M HN 0.635 nan 8.290 nan 0.000 0.461 466 H N 2.391 121.419 119.070 -0.069 0.000 2.782 466 H HA 0.213 4.768 4.556 -0.001 0.000 0.285 466 H C -0.364 174.844 175.328 -0.200 0.000 1.093 466 H CA 0.157 56.076 56.048 -0.215 0.000 1.410 466 H CB 0.124 29.666 29.762 -0.367 0.000 1.439 466 H HN 0.315 nan 8.280 nan 0.000 0.469 467 H N 5.246 124.152 119.070 -0.273 0.000 2.761 467 H HA 0.121 4.676 4.556 -0.001 0.000 0.284 467 H C -0.527 174.586 175.328 -0.359 0.000 1.105 467 H CA -0.822 54.938 56.048 -0.480 0.000 1.352 467 H CB -0.017 29.440 29.762 -0.509 0.000 1.423 467 H HN 0.454 nan 8.280 nan 0.000 0.464 468 I N 7.208 127.756 120.570 -0.037 0.000 2.291 468 I HA 0.053 4.223 4.170 -0.001 0.000 0.290 468 I C 0.206 176.338 176.117 0.026 0.000 1.050 468 I CA -0.669 60.621 61.300 -0.017 0.000 1.245 468 I CB 0.635 38.580 38.000 -0.092 0.000 1.405 468 I HN 0.193 nan 8.210 nan 0.000 0.478 469 V N 6.158 126.097 119.914 0.042 0.000 2.353 469 V HA 0.129 4.248 4.120 -0.001 0.000 0.264 469 V C 0.283 176.393 176.094 0.028 0.000 1.049 469 V CA -0.399 61.875 62.300 -0.044 0.000 0.896 469 V CB 0.782 32.650 31.823 0.076 0.000 1.025 469 V HN 0.776 nan 8.190 nan 0.000 0.475 470 C N 7.049 126.257 119.300 -0.152 0.000 2.210 470 C HA 0.430 4.889 4.460 -0.001 0.000 0.377 470 C C 0.702 175.625 174.990 -0.112 0.000 1.037 470 C CA -0.859 58.089 59.018 -0.117 0.000 1.405 470 C CB -1.643 25.849 27.740 -0.415 0.000 1.802 470 C HN 0.673 nan 8.230 nan 0.000 0.495 471 I N 3.184 123.741 120.570 -0.022 0.000 2.347 471 I HA 0.152 4.322 4.170 -0.001 0.000 0.294 471 I C 0.427 176.669 176.117 0.208 0.000 1.090 471 I CA 0.619 61.966 61.300 0.078 0.000 1.314 471 I CB 0.318 38.369 38.000 0.085 0.000 1.423 471 I HN 0.388 nan 8.210 nan 0.000 0.503 472 V N 8.992 129.045 119.914 0.232 0.000 2.472 472 V HA 0.678 4.798 4.120 -0.001 0.000 0.290 472 V C -0.652 175.639 176.094 0.328 0.000 1.037 472 V CA -0.321 62.133 62.300 0.257 0.000 0.908 472 V CB 1.265 33.263 31.823 0.292 0.000 0.985 472 V HN 0.569 nan 8.190 nan 0.000 0.454 473 F N 3.388 123.428 119.950 0.149 0.000 2.645 473 F HA 0.603 5.130 4.527 -0.001 0.000 0.310 473 F C -0.807 175.048 175.800 0.092 0.000 1.102 473 F CA -1.482 56.590 58.000 0.119 0.000 0.952 473 F CB 1.436 40.495 39.000 0.097 0.000 1.326 473 F HN 0.534 nan 8.300 nan 0.000 0.456 474 N N 1.451 120.260 118.700 0.182 0.000 2.414 474 N HA 0.214 4.954 4.740 -0.001 0.000 0.256 474 N C 0.175 175.793 175.510 0.179 0.000 1.029 474 N CA -0.620 52.464 53.050 0.056 0.000 0.948 474 N CB 1.339 39.864 38.487 0.063 0.000 1.102 474 N HN 0.815 nan 8.380 nan 0.000 0.496 475 K N 2.019 122.445 120.400 0.044 0.000 2.616 475 K HA -0.019 4.300 4.320 -0.001 0.000 0.192 475 K C 0.062 176.806 176.600 0.239 0.000 1.031 475 K CA 0.765 57.174 56.287 0.203 0.000 1.004 475 K CB 0.007 32.445 32.500 -0.104 0.000 0.810 475 K HN 0.462 nan 8.250 nan 0.000 0.497 476 K N 1.217 121.715 120.400 0.164 0.000 2.792 476 K HA 0.076 4.395 4.320 -0.001 0.000 0.207 476 K C -1.056 175.609 176.600 0.109 0.000 1.103 476 K CA -0.181 56.185 56.287 0.131 0.000 1.048 476 K CB 0.652 33.206 32.500 0.089 0.000 0.777 476 K HN 0.064 nan 8.250 nan 0.000 0.468 477 D N 1.413 121.894 120.400 0.135 0.000 2.438 477 D HA 0.145 4.785 4.640 -0.001 0.000 0.257 477 D C 0.872 177.232 176.300 0.100 0.000 1.148 477 D CA -0.345 53.718 54.000 0.105 0.000 0.902 477 D CB 0.868 41.734 40.800 0.111 0.000 1.062 477 D HN 0.069 nan 8.370 nan 0.000 0.518 478 L N 3.004 124.271 121.223 0.074 0.000 2.261 478 L HA -0.105 4.235 4.340 -0.001 0.000 0.216 478 L C 2.092 178.985 176.870 0.039 0.000 1.114 478 L CA 0.841 55.715 54.840 0.057 0.000 0.777 478 L CB -0.010 42.073 42.059 0.040 0.000 0.910 478 L HN 0.532 nan 8.230 nan 0.000 0.440 479 I N -0.973 119.619 120.570 0.038 0.000 2.400 479 I HA -0.238 3.931 4.170 -0.001 0.000 0.248 479 I C 2.597 178.731 176.117 0.028 0.000 1.109 479 I CA 0.924 62.238 61.300 0.023 0.000 1.425 479 I CB -0.112 37.899 38.000 0.017 0.000 1.094 479 I HN 0.365 nan 8.210 nan 0.000 0.425 480 Q N 1.690 121.521 119.800 0.050 0.000 2.123 480 Q HA -0.189 4.151 4.340 -0.001 0.000 0.199 480 Q C 1.956 177.965 176.000 0.014 0.000 0.966 480 Q CA 1.329 57.169 55.803 0.061 0.000 0.845 480 Q CB 0.023 28.828 28.738 0.112 0.000 0.907 480 Q HN 0.347 nan 8.270 nan 0.000 0.439 481 K N 0.021 120.415 120.400 -0.009 0.000 2.209 481 K HA -0.093 4.227 4.320 -0.001 0.000 0.204 481 K C 2.178 178.716 176.600 -0.104 0.000 1.048 481 K CA 1.101 57.298 56.287 -0.150 0.000 0.940 481 K CB 0.075 32.547 32.500 -0.045 0.000 0.729 481 K HN 0.228 nan 8.250 nan 0.000 0.451 482 R N 0.390 120.875 120.500 -0.025 0.000 2.100 482 R HA 0.031 4.371 4.340 -0.001 0.000 0.220 482 R C 1.971 178.304 176.300 0.056 0.000 1.091 482 R CA 0.660 56.766 56.100 0.010 0.000 0.986 482 R CB 0.120 30.427 30.300 0.011 0.000 0.888 482 R HN 0.038 nan 8.270 nan 0.000 0.444 483 K N 0.470 120.898 120.400 0.047 0.000 2.211 483 K HA -0.051 4.269 4.320 -0.001 0.000 0.203 483 K C 1.939 178.626 176.600 0.146 0.000 1.050 483 K CA 0.915 57.263 56.287 0.102 0.000 0.945 483 K CB 0.138 32.675 32.500 0.061 0.000 0.732 483 K HN 0.042 nan 8.250 nan 0.000 0.451 484 V N 1.310 121.241 119.914 0.028 0.000 2.346 484 V HA -0.203 3.917 4.120 -0.001 0.000 0.244 484 V C 2.301 178.378 176.094 -0.029 0.000 1.037 484 V CA 1.421 63.696 62.300 -0.043 0.000 1.029 484 V CB -0.428 31.252 31.823 -0.239 0.000 0.663 484 V HN 0.313 nan 8.190 nan 0.000 0.454 485 Q N -1.335 118.475 119.800 0.017 0.000 2.112 485 Q HA -0.306 4.034 4.340 -0.001 0.000 0.206 485 Q C 2.067 178.151 176.000 0.141 0.000 0.987 485 Q CA 2.529 58.402 55.803 0.117 0.000 0.858 485 Q CB -0.258 28.542 28.738 0.103 0.000 0.905 485 Q HN 0.818 nan 8.270 nan 0.000 0.420 486 W N 0.591 121.880 121.300 -0.018 0.000 2.418 486 W HA -0.153 4.506 4.660 -0.001 0.000 0.292 486 W C 1.746 178.229 176.519 -0.059 0.000 1.213 486 W CA 0.801 58.133 57.345 -0.022 0.000 1.283 486 W CB -0.191 29.257 29.460 -0.019 0.000 1.119 486 W HN 0.152 nan 8.180 nan 0.000 0.542 487 L N 0.799 122.013 121.223 -0.016 0.000 2.017 487 L HA -0.176 4.163 4.340 -0.001 0.000 0.208 487 L C 2.414 179.020 176.870 -0.440 0.000 1.073 487 L CA 2.425 57.111 54.840 -0.257 0.000 0.745 487 L CB -1.199 40.830 42.059 -0.050 0.000 0.894 487 L HN 0.093 nan 8.230 nan 0.000 0.432 488 M N -0.331 119.033 119.600 -0.392 0.000 2.080 488 M HA -0.177 4.303 4.480 -0.001 0.000 0.260 488 M C 2.298 178.273 176.300 -0.541 0.000 1.068 488 M CA 1.746 56.690 55.300 -0.594 0.000 1.109 488 M CB -0.559 31.480 32.600 -0.935 0.000 1.342 488 M HN 0.184 nan 8.290 nan 0.000 0.405 489 R N -1.277 119.018 120.500 -0.340 0.000 2.193 489 R HA -0.062 4.278 4.340 -0.001 0.000 0.229 489 R C 1.811 177.911 176.300 -0.333 0.000 1.110 489 R CA 1.745 57.718 56.100 -0.212 0.000 0.988 489 R CB -1.004 29.258 30.300 -0.063 0.000 0.871 489 R HN 0.460 nan 8.270 nan 0.000 0.458 490 T N 1.217 115.443 114.554 -0.548 0.000 2.976 490 T HA 0.081 4.431 4.350 -0.001 0.000 0.257 490 T C 2.040 176.483 174.700 -0.428 0.000 1.051 490 T CA 0.393 62.161 62.100 -0.554 0.000 1.141 490 T CB 0.016 68.335 68.868 -0.915 0.000 0.881 490 T HN 0.077 nan 8.240 nan 0.000 0.461 491 L N 0.469 121.367 121.223 -0.541 0.000 2.056 491 L HA 0.003 4.343 4.340 -0.001 0.000 0.207 491 L C 2.369 178.951 176.870 -0.479 0.000 1.078 491 L CA 1.141 55.629 54.840 -0.586 0.000 0.749 491 L CB -0.570 40.862 42.059 -1.045 0.000 0.901 491 L HN 0.226 nan 8.230 nan 0.000 0.433 492 I N -0.227 120.048 120.570 -0.492 0.000 2.127 492 I HA -0.327 3.842 4.170 -0.001 0.000 0.241 492 I C 2.152 178.259 176.117 -0.016 0.000 1.075 492 I CA 1.406 62.643 61.300 -0.106 0.000 1.334 492 I CB -0.405 37.580 38.000 -0.025 0.000 1.040 492 I HN 0.244 nan 8.210 nan 0.000 0.405 493 D N 0.797 121.149 120.400 -0.080 0.000 2.092 493 D HA -0.207 4.433 4.640 -0.001 0.000 0.193 493 D C 1.906 178.183 176.300 -0.038 0.000 0.994 493 D CA 1.354 55.323 54.000 -0.053 0.000 0.828 493 D CB -0.411 40.341 40.800 -0.080 0.000 0.963 493 D HN 0.254 nan 8.370 nan 0.000 0.450 494 D N -0.434 119.931 120.400 -0.059 0.000 2.104 494 D HA -0.123 4.517 4.640 -0.001 0.000 0.194 494 D C 2.185 178.524 176.300 0.065 0.000 0.994 494 D CA 0.718 54.711 54.000 -0.011 0.000 0.830 494 D CB -0.217 40.570 40.800 -0.020 0.000 0.959 494 D HN 0.223 nan 8.370 nan 0.000 0.452 495 C N 0.854 120.258 119.300 0.174 0.000 2.435 495 C HA 0.030 4.489 4.460 -0.001 0.000 0.279 495 C C 2.848 177.911 174.990 0.121 0.000 1.321 495 C CA 0.492 59.734 59.018 0.374 0.000 1.752 495 C CB -0.911 27.213 27.740 0.640 0.000 1.959 495 C HN 0.350 nan 8.230 nan 0.000 0.500 496 A N 1.045 123.896 122.820 0.051 0.000 1.845 496 A HA 0.014 4.333 4.320 -0.001 0.000 0.215 496 A C 2.417 179.934 177.584 -0.112 0.000 1.195 496 A CA 2.121 54.126 52.037 -0.053 0.000 0.616 496 A CB -1.249 17.725 19.000 -0.042 0.000 0.832 496 A HN 0.613 nan 8.150 nan 0.000 0.443 497 A N -0.645 122.124 122.820 -0.085 0.000 2.171 497 A HA -0.238 4.082 4.320 -0.001 0.000 0.223 497 A C 1.643 179.117 177.584 -0.184 0.000 1.166 497 A CA 1.992 53.968 52.037 -0.102 0.000 0.668 497 A CB -0.546 18.414 19.000 -0.067 0.000 0.807 497 A HN 0.612 nan 8.150 nan 0.000 0.475 498 N N -2.249 116.267 118.700 -0.307 0.000 2.170 498 N HA 0.215 4.955 4.740 -0.001 0.000 0.222 498 N C 0.871 175.863 175.510 -0.863 0.000 1.218 498 N CA 0.807 53.493 53.050 -0.606 0.000 0.889 498 N CB 0.903 38.867 38.487 -0.872 0.000 1.083 498 N HN 0.624 nan 8.380 nan 0.000 0.520 499 G N 0.741 109.222 108.800 -0.532 0.000 2.137 499 G HA2 -0.189 3.770 3.960 -0.001 0.000 0.237 499 G HA3 -0.189 3.770 3.960 -0.001 0.000 0.237 499 G C -0.555 174.128 174.900 -0.361 0.000 1.002 499 G CA -0.224 44.625 45.100 -0.419 0.000 0.702 499 G HN 0.176 nan 8.290 nan 0.000 0.515 500 W N -0.204 121.082 121.300 -0.025 0.000 2.689 500 W HA 0.745 5.405 4.660 -0.001 0.000 0.340 500 W C 0.493 176.975 176.519 -0.061 0.000 1.060 500 W CA -0.834 56.498 57.345 -0.023 0.000 1.218 500 W CB 1.863 31.334 29.460 0.019 0.000 1.410 500 W HN 0.545 nan 8.180 nan 0.000 0.528 501 G N 0.093 108.983 108.800 0.149 0.000 2.533 501 G HA2 0.572 4.532 3.960 -0.001 0.000 0.304 501 G HA3 0.572 4.532 3.960 -0.001 0.000 0.304 501 G C -0.556 174.452 174.900 0.179 0.000 1.263 501 G CA -0.753 44.375 45.100 0.047 0.000 0.964 501 G HN 0.529 nan 8.290 nan 0.000 0.479 502 G N -1.207 107.735 108.800 0.237 0.000 2.527 502 G HA2 0.374 4.334 3.960 -0.001 0.000 0.248 502 G HA3 0.374 4.334 3.960 -0.001 0.000 0.248 502 G C 0.374 175.436 174.900 0.270 0.000 1.231 502 G CA 0.076 45.285 45.100 0.181 0.000 0.838 502 G HN 0.910 nan 8.290 nan 0.000 0.570 503 Y N 0.144 120.431 120.300 -0.023 0.000 2.458 503 Y HA 0.462 5.012 4.550 -0.001 0.000 0.254 503 Y C 0.767 176.624 175.900 -0.071 0.000 1.120 503 Y CA -0.691 57.369 58.100 -0.067 0.000 1.282 503 Y CB 0.288 38.634 38.460 -0.189 0.000 1.109 503 Y HN 0.527 nan 8.280 nan 0.000 0.526 504 R N 0.274 120.574 120.500 -0.332 0.000 2.664 504 R HA 0.514 4.853 4.340 -0.001 0.000 0.260 504 R C -1.816 174.430 176.300 -0.090 0.000 1.062 504 R CA 0.190 55.991 56.100 -0.499 0.000 0.902 504 R CB 0.984 30.618 30.300 -1.110 0.000 1.258 504 R HN 0.224 nan 8.270 nan 0.000 0.465 505 T N -0.225 114.303 114.554 -0.044 0.000 2.762 505 T HA 0.315 4.665 4.350 -0.001 0.000 0.301 505 T C -1.117 173.850 174.700 0.445 0.000 1.299 505 T CA -0.918 61.384 62.100 0.338 0.000 1.005 505 T CB 0.804 69.907 68.868 0.391 0.000 1.377 505 T HN 0.602 nan 8.240 nan 0.000 0.504 506 H N 0.643 120.046 119.070 0.554 0.000 2.707 506 H HA 0.256 4.812 4.556 -0.001 0.000 0.359 506 H C 1.267 176.740 175.328 0.242 0.000 1.113 506 H CA -0.402 55.916 56.048 0.449 0.000 1.422 506 H CB 0.594 30.671 29.762 0.525 0.000 1.443 506 H HN 0.619 nan 8.280 nan 0.000 0.591 507 L N 3.479 124.716 121.223 0.024 0.000 2.103 507 L HA -0.294 4.045 4.340 -0.001 0.000 0.215 507 L C 2.527 179.346 176.870 -0.085 0.000 1.080 507 L CA 1.761 56.497 54.840 -0.173 0.000 0.764 507 L CB -0.703 40.900 42.059 -0.760 0.000 0.890 507 L HN 0.653 nan 8.230 nan 0.000 0.435 508 A N -1.081 121.746 122.820 0.011 0.000 2.168 508 A HA -0.029 4.291 4.320 -0.001 0.000 0.215 508 A C 1.461 178.675 177.584 -0.618 0.000 1.152 508 A CA 0.951 52.792 52.037 -0.327 0.000 0.716 508 A CB -0.398 18.197 19.000 -0.675 0.000 0.794 508 A HN 0.455 nan 8.150 nan 0.000 0.465 509 F N -2.033 118.059 119.950 0.237 0.000 2.729 509 F HA 0.307 4.833 4.527 -0.001 0.000 0.315 509 F C 1.793 177.713 175.800 0.200 0.000 1.102 509 F CA -0.333 57.787 58.000 0.200 0.000 1.204 509 F CB -0.329 38.778 39.000 0.178 0.000 1.052 509 F HN 0.011 nan 8.300 nan 0.000 0.551 510 M N 0.346 120.116 119.600 0.282 0.000 2.082 510 M HA -0.237 4.242 4.480 -0.001 0.000 0.258 510 M C 1.620 178.057 176.300 0.228 0.000 1.069 510 M CA 1.912 57.339 55.300 0.212 0.000 1.102 510 M CB -0.503 32.171 32.600 0.123 0.000 1.336 510 M HN 0.147 nan 8.290 nan 0.000 0.404 511 D N -0.114 120.442 120.400 0.260 0.000 2.097 511 D HA -0.194 4.445 4.640 -0.001 0.000 0.195 511 D C 1.972 178.421 176.300 0.248 0.000 0.989 511 D CA 1.358 55.530 54.000 0.287 0.000 0.827 511 D CB -0.401 40.603 40.800 0.340 0.000 0.966 511 D HN 0.503 nan 8.370 nan 0.000 0.456 512 Q N 0.491 120.439 119.800 0.247 0.000 2.030 512 Q HA -0.144 4.196 4.340 -0.001 0.000 0.204 512 Q C 2.496 178.638 176.000 0.237 0.000 0.986 512 Q CA 1.005 56.942 55.803 0.224 0.000 0.843 512 Q CB -0.139 28.741 28.738 0.236 0.000 0.904 512 Q HN 0.238 nan 8.270 nan 0.000 0.420 513 I N 0.181 120.920 120.570 0.281 0.000 2.208 513 I HA -0.310 3.860 4.170 -0.001 0.000 0.245 513 I C 2.437 178.788 176.117 0.391 0.000 1.097 513 I CA 0.999 62.489 61.300 0.316 0.000 1.363 513 I CB -0.049 38.155 38.000 0.340 0.000 1.051 513 I HN 0.420 nan 8.210 nan 0.000 0.413 514 M N 0.812 120.604 119.600 0.320 0.000 2.175 514 M HA -0.219 4.260 4.480 -0.001 0.000 0.264 514 M C 1.977 178.473 176.300 0.327 0.000 1.063 514 M CA 1.831 57.324 55.300 0.323 0.000 1.119 514 M CB -0.437 32.288 32.600 0.208 0.000 1.377 514 M HN 0.061 nan 8.290 nan 0.000 0.415 515 E N -1.001 119.347 120.200 0.247 0.000 2.401 515 E HA -0.122 4.228 4.350 -0.001 0.000 0.199 515 E C 1.536 178.238 176.600 0.171 0.000 1.023 515 E CA 1.473 57.987 56.400 0.190 0.000 0.859 515 E CB -0.523 29.267 29.700 0.150 0.000 0.780 515 E HN 0.532 nan 8.360 nan 0.000 0.523 516 T N -0.730 113.939 114.554 0.193 0.000 2.985 516 T HA -0.065 4.285 4.350 -0.001 0.000 0.266 516 T C -0.118 174.566 174.700 -0.026 0.000 1.076 516 T CA 0.663 62.796 62.100 0.055 0.000 1.135 516 T CB -0.202 68.665 68.868 -0.001 0.000 0.890 516 T HN 0.226 nan 8.240 nan 0.000 0.480 517 Y N 2.690 123.056 120.300 0.109 0.000 2.955 517 Y HA 0.239 4.789 4.550 -0.001 0.000 0.386 517 Y C 0.845 176.832 175.900 0.146 0.000 1.069 517 Y CA -0.981 57.176 58.100 0.094 0.000 1.764 517 Y CB -0.812 37.677 38.460 0.048 0.000 1.646 517 Y HN 0.267 nan 8.280 nan 0.000 0.486 518 N N -2.100 116.733 118.700 0.222 0.000 2.389 518 N HA -0.048 4.692 4.740 -0.001 0.000 0.237 518 N C -0.270 175.357 175.510 0.195 0.000 1.148 518 N CA -0.540 52.630 53.050 0.199 0.000 0.854 518 N CB -0.221 38.341 38.487 0.125 0.000 1.115 518 N HN 0.335 nan 8.380 nan 0.000 0.492 519 W N 2.128 123.473 121.300 0.074 0.000 2.293 519 W HA 0.010 4.670 4.660 -0.001 0.000 0.342 519 W C 0.925 177.479 176.519 0.059 0.000 1.274 519 W CA 0.816 58.189 57.345 0.047 0.000 1.290 519 W CB 0.015 29.496 29.460 0.035 0.000 1.176 519 W HN 0.526 nan 8.180 nan 0.000 0.570 520 N N 4.465 122.691 118.700 -0.791 0.000 2.710 520 N HA -0.350 4.390 4.740 -0.001 0.000 0.249 520 N C -0.399 174.945 175.510 -0.277 0.000 1.059 520 N CA 0.974 53.564 53.050 -0.768 0.000 0.720 520 N CB -1.241 36.528 38.487 -1.197 0.000 0.983 520 N HN 0.756 nan 8.380 nan 0.000 0.544 521 N N -1.168 117.443 118.700 -0.149 0.000 2.814 521 N HA -0.152 4.588 4.740 -0.001 0.000 0.247 521 N C -0.435 175.096 175.510 0.036 0.000 1.089 521 N CA 1.230 54.255 53.050 -0.042 0.000 0.682 521 N CB -1.787 36.669 38.487 -0.052 0.000 0.970 521 N HN 0.471 nan 8.380 nan 0.000 0.554 522 S N -2.097 113.659 115.700 0.093 0.000 3.749 522 S HA -0.236 4.234 4.470 -0.001 0.000 0.348 522 S C 1.279 175.997 174.600 0.196 0.000 1.045 522 S CA 1.068 59.369 58.200 0.169 0.000 1.051 522 S CB -1.328 61.953 63.200 0.134 0.000 0.898 522 S HN 0.854 nan 8.310 nan 0.000 0.472 523 S N -0.421 115.404 115.700 0.209 0.000 2.442 523 S HA -0.098 4.371 4.470 -0.001 0.000 0.236 523 S C 1.288 176.081 174.600 0.323 0.000 1.007 523 S CA 1.430 59.768 58.200 0.230 0.000 0.965 523 S CB -0.235 63.097 63.200 0.220 0.000 0.773 523 S HN 0.615 nan 8.310 nan 0.000 0.504 524 F N 1.303 121.370 119.950 0.195 0.000 2.128 524 F HA 0.149 4.676 4.527 -0.001 0.000 0.295 524 F C 1.829 177.743 175.800 0.189 0.000 1.100 524 F CA 1.041 59.153 58.000 0.187 0.000 1.260 524 F CB -0.665 38.426 39.000 0.150 0.000 1.009 524 F HN 0.293 nan 8.300 nan 0.000 0.476 525 L N 0.871 122.215 121.223 0.202 0.000 2.027 525 L HA -0.117 4.222 4.340 -0.001 0.000 0.206 525 L C 2.429 179.330 176.870 0.051 0.000 1.074 525 L CA 1.669 56.552 54.840 0.071 0.000 0.745 525 L CB -0.953 41.187 42.059 0.135 0.000 0.898 525 L HN -0.009 nan 8.230 nan 0.000 0.433 526 R N -1.023 119.545 120.500 0.114 0.000 2.105 526 R HA -0.212 4.128 4.340 -0.001 0.000 0.239 526 R C 2.227 178.582 176.300 0.092 0.000 1.135 526 R CA 1.741 57.906 56.100 0.108 0.000 0.967 526 R CB -1.279 29.095 30.300 0.124 0.000 0.861 526 R HN 0.457 nan 8.270 nan 0.000 0.442 527 F N 2.004 121.932 119.950 -0.036 0.000 2.259 527 F HA -0.010 4.517 4.527 -0.001 0.000 0.298 527 F C 1.876 177.586 175.800 -0.150 0.000 1.088 527 F CA 0.902 58.858 58.000 -0.074 0.000 1.358 527 F CB -0.135 38.829 39.000 -0.061 0.000 1.040 527 F HN -0.049 nan 8.300 nan 0.000 0.505 528 N N 0.697 119.231 118.700 -0.276 0.000 2.109 528 N HA -0.160 4.579 4.740 -0.001 0.000 0.188 528 N C 1.705 177.043 175.510 -0.286 0.000 1.034 528 N CA 1.623 54.434 53.050 -0.398 0.000 0.846 528 N CB -0.317 37.938 38.487 -0.387 0.000 1.010 528 N HN 0.453 nan 8.380 nan 0.000 0.425 529 E N 0.813 120.928 120.200 -0.141 0.000 2.114 529 E HA -0.170 4.179 4.350 -0.001 0.000 0.199 529 E C 2.078 178.618 176.600 -0.100 0.000 1.008 529 E CA 0.956 57.320 56.400 -0.060 0.000 0.810 529 E CB -0.140 29.595 29.700 0.059 0.000 0.739 529 E HN 0.083 nan 8.360 nan 0.000 0.456 530 V N 1.397 121.224 119.914 -0.144 0.000 2.250 530 V HA -0.303 3.817 4.120 -0.001 0.000 0.250 530 V C 2.304 178.273 176.094 -0.208 0.000 1.060 530 V CA 1.961 64.164 62.300 -0.162 0.000 1.030 530 V CB -0.438 31.270 31.823 -0.192 0.000 0.643 530 V HN 0.255 nan 8.190 nan 0.000 0.445 531 L N -0.635 120.386 121.223 -0.336 0.000 2.179 531 L HA -0.104 4.235 4.340 -0.001 0.000 0.208 531 L C 2.462 179.201 176.870 -0.219 0.000 1.096 531 L CA 1.362 56.014 54.840 -0.312 0.000 0.779 531 L CB -0.623 41.171 42.059 -0.441 0.000 0.922 531 L HN 0.277 nan 8.230 nan 0.000 0.443 532 K N 0.975 121.251 120.400 -0.206 0.000 1.991 532 K HA -0.177 4.143 4.320 -0.001 0.000 0.212 532 K C 1.802 178.347 176.600 -0.092 0.000 1.049 532 K CA 1.695 57.894 56.287 -0.147 0.000 0.932 532 K CB -0.258 32.160 32.500 -0.136 0.000 0.717 532 K HN 0.139 nan 8.250 nan 0.000 0.441 533 N N 0.072 118.730 118.700 -0.070 0.000 2.585 533 N HA -0.091 4.648 4.740 -0.001 0.000 0.188 533 N C 1.095 176.585 175.510 -0.035 0.000 1.102 533 N CA 1.058 54.090 53.050 -0.030 0.000 0.920 533 N CB 0.036 38.516 38.487 -0.011 0.000 0.963 533 N HN 0.417 nan 8.380 nan 0.000 0.447 534 A N -0.019 122.764 122.820 -0.062 0.000 1.942 534 A HA 0.048 4.368 4.320 -0.001 0.000 0.209 534 A C 2.200 179.758 177.584 -0.043 0.000 1.214 534 A CA 0.747 52.752 52.037 -0.054 0.000 0.686 534 A CB -0.274 18.680 19.000 -0.078 0.000 0.871 534 A HN 0.159 nan 8.150 nan 0.000 0.460 535 V N -2.234 117.646 119.914 -0.056 0.000 2.878 535 V HA 0.163 4.282 4.120 -0.001 0.000 0.250 535 V C 0.291 176.374 176.094 -0.018 0.000 1.075 535 V CA 1.703 63.980 62.300 -0.038 0.000 1.096 535 V CB 0.082 31.873 31.823 -0.053 0.000 0.724 535 V HN 0.301 nan 8.190 nan 0.000 0.467 536 D N 1.204 121.590 120.400 -0.022 0.000 2.441 536 D HA 0.389 5.028 4.640 -0.001 0.000 0.287 536 D C -1.614 174.695 176.300 0.014 0.000 1.198 536 D CA -2.190 51.808 54.000 -0.003 0.000 0.894 536 D CB 1.420 42.212 40.800 -0.014 0.000 1.070 536 D HN 0.258 nan 8.370 nan 0.000 0.499 537 P HA -0.073 nan 4.420 nan 0.000 0.226 537 P C 0.558 177.888 177.300 0.049 0.000 1.146 537 P CA 0.668 63.785 63.100 0.028 0.000 0.773 537 P CB 0.576 32.291 31.700 0.023 0.000 0.772 538 N N -1.281 117.456 118.700 0.063 0.000 2.159 538 N HA 0.099 4.839 4.740 -0.001 0.000 0.217 538 N C 0.675 176.265 175.510 0.133 0.000 1.223 538 N CA 0.527 53.631 53.050 0.091 0.000 0.896 538 N CB 0.386 38.926 38.487 0.088 0.000 1.064 538 N HN 0.017 nan 8.380 nan 0.000 0.518 539 G N 2.364 111.233 108.800 0.115 0.000 2.372 539 G HA2 -0.250 3.710 3.960 -0.001 0.000 0.290 539 G HA3 -0.250 3.710 3.960 -0.001 0.000 0.290 539 G C 0.817 175.801 174.900 0.140 0.000 0.965 539 G CA 0.920 46.099 45.100 0.130 0.000 1.263 539 G HN 0.481 nan 8.290 nan 0.000 0.498 540 I N -2.576 118.046 120.570 0.087 0.000 4.139 540 I HA 0.432 4.601 4.170 -0.001 0.000 0.320 540 I C 0.784 176.924 176.117 0.037 0.000 1.290 540 I CA -0.208 61.152 61.300 0.100 0.000 1.253 540 I CB 0.187 38.267 38.000 0.134 0.000 1.122 540 I HN 0.085 nan 8.210 nan 0.000 0.421 541 I N 3.736 124.299 120.570 -0.013 0.000 2.347 541 I HA 0.341 4.511 4.170 -0.001 0.000 0.294 541 I C 1.027 177.079 176.117 -0.109 0.000 1.090 541 I CA -0.407 60.857 61.300 -0.060 0.000 1.314 541 I CB -0.483 37.472 38.000 -0.075 0.000 1.423 541 I HN 0.420 nan 8.210 nan 0.000 0.503 542 A N 7.904 130.681 122.820 -0.071 0.000 2.203 542 A HA -0.132 4.187 4.320 -0.001 0.000 0.279 542 A C -2.152 175.351 177.584 -0.135 0.000 1.396 542 A CA -0.407 51.605 52.037 -0.041 0.000 0.747 542 A CB -1.755 17.020 19.000 -0.375 0.000 1.151 542 A HN 0.552 nan 8.150 nan 0.000 0.345 543 P HA 0.391 nan 4.420 nan 0.000 0.268 543 P C 1.304 178.154 177.300 -0.750 0.000 1.205 543 P CA 1.419 64.181 63.100 -0.563 0.000 0.771 543 P CB 1.029 32.168 31.700 -0.935 0.000 0.858 544 G N 1.922 109.925 108.800 -1.328 0.000 2.345 544 G HA2 -0.249 3.711 3.960 -0.001 0.000 0.218 544 G HA3 -0.249 3.711 3.960 -0.001 0.000 0.218 544 G C 0.306 174.747 174.900 -0.765 0.000 1.058 544 G CA 0.221 44.270 45.100 -1.751 0.000 0.632 544 G HN 0.761 nan 8.290 nan 0.000 0.508 545 K N 1.818 121.996 120.400 -0.369 0.000 2.504 545 K HA 0.375 4.695 4.320 -0.001 0.000 0.278 545 K C 1.098 177.561 176.600 -0.228 0.000 1.025 545 K CA 1.311 57.492 56.287 -0.176 0.000 1.093 545 K CB -0.172 32.209 32.500 -0.197 0.000 0.873 545 K HN 1.036 nan 8.250 nan 0.000 0.483 546 S N 2.956 118.575 115.700 -0.134 0.000 3.587 546 S HA -0.182 4.288 4.470 -0.001 0.000 0.337 546 S C 0.952 175.512 174.600 -0.067 0.000 1.119 546 S CA 1.043 59.188 58.200 -0.092 0.000 0.976 546 S CB -2.087 61.039 63.200 -0.123 0.000 0.922 546 S HN 1.363 nan 8.310 nan 0.000 0.503 547 G N -1.601 107.150 108.800 -0.081 0.000 2.205 547 G HA2 -0.308 3.651 3.960 -0.001 0.000 0.261 547 G HA3 -0.308 3.651 3.960 -0.001 0.000 0.261 547 G C 0.104 174.934 174.900 -0.117 0.000 0.980 547 G CA 0.022 45.133 45.100 0.018 0.000 0.632 547 G HN 1.308 nan 8.290 nan 0.000 0.533 548 V N 1.067 120.793 119.914 -0.314 0.000 2.322 548 V HA 0.484 4.604 4.120 -0.001 0.000 0.258 548 V C 0.099 175.979 176.094 -0.357 0.000 1.074 548 V CA -0.381 61.780 62.300 -0.232 0.000 0.909 548 V CB -0.187 31.505 31.823 -0.218 0.000 1.090 548 V HN 0.298 nan 8.190 nan 0.000 0.486 549 W N 7.161 128.509 121.300 0.080 0.000 2.433 549 W HA 0.527 5.186 4.660 -0.001 0.000 0.315 549 W C -1.935 174.610 176.519 0.044 0.000 1.087 549 W CA -2.145 55.239 57.345 0.065 0.000 1.205 549 W CB 1.094 30.689 29.460 0.224 0.000 1.288 549 W HN 0.319 nan 8.180 nan 0.000 0.504 550 P HA 0.062 nan 4.420 nan 0.000 0.276 550 P C 0.828 178.262 177.300 0.224 0.000 1.261 550 P CA -0.204 62.998 63.100 0.171 0.000 0.800 550 P CB 1.228 33.004 31.700 0.127 0.000 1.066 551 S N -0.039 115.745 115.700 0.141 0.000 2.419 551 S HA -0.204 4.266 4.470 -0.001 0.000 0.235 551 S C 1.367 176.026 174.600 0.098 0.000 1.019 551 S CA 0.981 59.234 58.200 0.088 0.000 0.982 551 S CB -0.930 62.305 63.200 0.058 0.000 0.789 551 S HN 0.622 nan 8.310 nan 0.000 0.490 552 Q N -0.334 119.564 119.800 0.163 0.000 2.280 552 Q HA 0.152 4.491 4.340 -0.001 0.000 0.202 552 Q C -0.954 175.073 176.000 0.045 0.000 0.903 552 Q CA -0.136 55.722 55.803 0.092 0.000 0.948 552 Q CB -0.457 28.315 28.738 0.056 0.000 1.058 552 Q HN 0.674 nan 8.270 nan 0.000 0.493 553 Y N 1.466 121.855 120.300 0.147 0.000 2.464 553 Y HA 0.297 4.847 4.550 -0.001 0.000 0.326 553 Y C 0.188 176.186 175.900 0.164 0.000 0.969 553 Y CA -1.088 57.170 58.100 0.264 0.000 1.270 553 Y CB 1.594 40.158 38.460 0.173 0.000 1.103 553 Y HN 0.016 nan 8.280 nan 0.000 0.491 554 S N 2.897 118.726 115.700 0.216 0.000 2.546 554 S HA -0.043 4.426 4.470 -0.001 0.000 0.290 554 S C 1.250 175.832 174.600 -0.030 0.000 1.290 554 S CA -0.299 57.900 58.200 -0.002 0.000 1.069 554 S CB 0.405 63.575 63.200 -0.050 0.000 0.846 554 S HN 0.703 nan 8.310 nan 0.000 0.495 555 H N 3.870 122.930 119.070 -0.017 0.000 2.352 555 H HA -0.074 4.481 4.556 -0.001 0.000 0.299 555 H C 2.090 177.338 175.328 -0.134 0.000 1.097 555 H CA 1.830 57.811 56.048 -0.113 0.000 1.311 555 H CB -0.673 29.077 29.762 -0.019 0.000 1.377 555 H HN 0.512 nan 8.280 nan 0.000 0.504 556 V N 0.400 120.325 119.914 0.019 0.000 2.295 556 V HA -0.215 3.904 4.120 -0.001 0.000 0.246 556 V C 2.430 178.439 176.094 -0.142 0.000 1.049 556 V CA 2.192 64.466 62.300 -0.044 0.000 1.024 556 V CB -0.850 30.949 31.823 -0.041 0.000 0.648 556 V HN 0.431 nan 8.190 nan 0.000 0.447 557 T N -1.503 112.896 114.554 -0.258 0.000 2.821 557 T HA -0.171 4.179 4.350 -0.001 0.000 0.267 557 T C 1.514 175.876 174.700 -0.565 0.000 1.046 557 T CA 1.751 63.558 62.100 -0.488 0.000 1.139 557 T CB -0.272 68.169 68.868 -0.713 0.000 0.871 557 T HN 0.612 nan 8.240 nan 0.000 0.454 558 W N 1.074 122.221 121.300 -0.255 0.000 2.580 558 W HA 0.285 4.945 4.660 -0.001 0.000 0.287 558 W C 0.935 177.254 176.519 -0.334 0.000 1.175 558 W CA -0.591 56.509 57.345 -0.409 0.000 1.409 558 W CB 0.147 29.053 29.460 -0.924 0.000 1.101 558 W HN -0.151 nan 8.180 nan 0.000 0.558 559 K N 1.799 122.122 120.400 -0.129 0.000 2.524 559 K HA 0.078 4.398 4.320 -0.001 0.000 0.279 559 K C -0.193 176.499 176.600 0.154 0.000 0.993 559 K CA 0.364 56.687 56.287 0.060 0.000 1.030 559 K CB 0.286 32.815 32.500 0.048 0.000 0.891 559 K HN 0.002 nan 8.250 nan 0.000 0.488 560 L N 0.000 121.366 121.223 0.238 0.000 2.949 560 L HA 0.000 4.340 4.340 -0.001 0.000 0.249 560 L CA 0.000 54.957 54.840 0.195 0.000 0.813 560 L CB 0.000 42.201 42.059 0.237 0.000 0.961 560 L HN 0.000 nan 8.230 nan 0.000 0.502