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 1w1j_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 AANGWGEYRS 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 0.000 176.620 176.600 0.033 0.000 1.382 6 E CA 0.000 56.354 56.400 -0.077 0.000 0.976 6 E CB 0.000 29.759 29.700 0.099 0.000 0.812 7 F N 0.825 120.846 119.950 0.119 0.000 1.999 7 F HA 0.195 4.722 4.527 -0.001 0.000 0.293 7 F C 1.493 177.339 175.800 0.076 0.000 1.173 7 F CA 1.802 59.857 58.000 0.093 0.000 1.162 7 F CB 0.117 39.148 39.000 0.053 0.000 0.981 7 F HN 0.482 nan 8.300 nan 0.000 0.479 8 R N 0.272 120.913 120.500 0.236 0.000 2.502 8 R HA 0.378 4.717 4.340 -0.001 0.000 0.298 8 R C -2.841 173.430 176.300 -0.048 0.000 1.018 8 R CA -1.824 54.302 56.100 0.044 0.000 0.899 8 R CB 0.967 31.293 30.300 0.044 0.000 1.181 8 R HN -0.021 nan 8.270 nan 0.000 0.444 9 P HA 0.235 nan 4.420 nan 0.000 0.283 9 P C 0.120 177.326 177.300 -0.157 0.000 1.278 9 P CA -0.758 62.202 63.100 -0.234 0.000 0.834 9 P CB 1.233 32.568 31.700 -0.609 0.000 1.150 10 L N -0.682 120.491 121.223 -0.084 0.000 2.240 10 L HA 0.064 4.404 4.340 -0.001 0.000 0.211 10 L C 0.311 177.144 176.870 -0.063 0.000 1.106 10 L CA 1.432 56.239 54.840 -0.055 0.000 0.793 10 L CB 0.032 42.078 42.059 -0.022 0.000 0.927 10 L HN 0.445 nan 8.230 nan 0.000 0.446 11 T N -0.209 114.306 114.554 -0.065 0.000 3.071 11 T HA 0.379 4.728 4.350 -0.001 0.000 0.311 11 T C -0.531 174.130 174.700 -0.065 0.000 1.042 11 T CA -0.522 61.546 62.100 -0.053 0.000 1.028 11 T CB 2.124 70.983 68.868 -0.014 0.000 1.068 11 T HN -0.146 nan 8.240 nan 0.000 0.451 12 L N 4.940 126.105 121.223 -0.098 0.000 2.418 12 L HA 0.436 4.776 4.340 -0.001 0.000 0.265 12 L C -1.595 175.267 176.870 -0.013 0.000 1.143 12 L CA -2.022 52.756 54.840 -0.103 0.000 0.809 12 L CB 0.644 42.617 42.059 -0.143 0.000 1.124 12 L HN 0.367 nan 8.230 nan 0.000 0.456 13 P HA 0.146 nan 4.420 nan 0.000 0.271 13 P C -2.653 174.641 177.300 -0.009 0.000 1.233 13 P CA -1.327 61.771 63.100 -0.005 0.000 0.789 13 P CB -0.433 31.153 31.700 -0.189 0.000 0.951 14 P HA 0.168 nan 4.420 nan 0.000 0.276 14 P C -0.034 177.256 177.300 -0.016 0.000 1.235 14 P CA 0.128 63.282 63.100 0.092 0.000 0.772 14 P CB 0.174 32.011 31.700 0.227 0.000 0.871 15 K N -0.583 119.805 120.400 -0.020 0.000 3.500 15 K HA -0.197 4.123 4.320 -0.001 0.000 0.313 15 K C -0.220 176.352 176.600 -0.047 0.000 1.338 15 K CA 0.463 56.727 56.287 -0.039 0.000 0.963 15 K CB -1.433 31.038 32.500 -0.049 0.000 1.267 15 K HN 0.259 nan 8.250 nan 0.000 0.448 16 L N 1.468 122.649 121.223 -0.071 0.000 2.282 16 L HA 0.306 4.646 4.340 -0.001 0.000 0.288 16 L C 0.457 177.296 176.870 -0.051 0.000 1.033 16 L CA 0.049 54.840 54.840 -0.083 0.000 0.807 16 L CB 1.490 43.424 42.059 -0.209 0.000 1.209 16 L HN 0.195 nan 8.230 nan 0.000 0.423 17 S N 3.749 119.444 115.700 -0.008 0.000 2.593 17 S HA 0.123 4.593 4.470 -0.001 0.000 0.269 17 S C 1.184 175.803 174.600 0.031 0.000 1.334 17 S CA -0.366 57.840 58.200 0.010 0.000 1.015 17 S CB 0.698 63.917 63.200 0.031 0.000 0.912 17 S HN 0.733 nan 8.310 nan 0.000 0.541 18 L N 2.368 123.604 121.223 0.022 0.000 2.042 18 L HA -0.068 4.272 4.340 -0.001 0.000 0.210 18 L C 2.893 179.835 176.870 0.120 0.000 1.076 18 L CA 2.187 57.051 54.840 0.040 0.000 0.749 18 L CB -0.937 41.128 42.059 0.010 0.000 0.893 18 L HN 0.994 nan 8.230 nan 0.000 0.432 19 S N -0.657 115.104 115.700 0.102 0.000 2.368 19 S HA -0.274 4.196 4.470 -0.001 0.000 0.226 19 S C 1.751 176.448 174.600 0.161 0.000 1.044 19 S CA 1.996 60.268 58.200 0.120 0.000 1.062 19 S CB -0.446 62.813 63.200 0.098 0.000 0.931 19 S HN 0.565 nan 8.310 nan 0.000 0.440 20 D N 0.140 120.649 120.400 0.182 0.000 2.084 20 D HA -0.091 4.549 4.640 -0.001 0.000 0.194 20 D C 1.658 178.039 176.300 0.135 0.000 0.990 20 D CA 1.151 55.300 54.000 0.248 0.000 0.826 20 D CB -0.750 40.239 40.800 0.317 0.000 0.971 20 D HN 0.528 nan 8.370 nan 0.000 0.453 21 F N 1.841 121.768 119.950 -0.039 0.000 2.141 21 F HA -0.275 4.252 4.527 -0.001 0.000 0.300 21 F C 1.962 177.813 175.800 0.085 0.000 1.079 21 F CA 1.420 59.408 58.000 -0.021 0.000 1.264 21 F CB 0.021 38.995 39.000 -0.042 0.000 1.011 21 F HN -0.084 nan 8.300 nan 0.000 0.487 22 N N 0.069 118.935 118.700 0.277 0.000 2.148 22 N HA -0.178 4.561 4.740 -0.001 0.000 0.186 22 N C 1.824 177.360 175.510 0.042 0.000 1.031 22 N CA 1.193 54.342 53.050 0.165 0.000 0.848 22 N CB -0.445 38.136 38.487 0.157 0.000 1.005 22 N HN 0.446 nan 8.380 nan 0.000 0.427 23 E N -0.254 119.981 120.200 0.057 0.000 2.472 23 E HA -0.142 4.208 4.350 -0.001 0.000 0.200 23 E C 1.283 177.812 176.600 -0.118 0.000 1.046 23 E CA 0.339 56.760 56.400 0.035 0.000 0.871 23 E CB 0.071 29.870 29.700 0.165 0.000 0.806 23 E HN 0.251 nan 8.360 nan 0.000 0.533 24 F N -0.064 119.621 119.950 -0.442 0.000 2.222 24 F HA 0.050 4.576 4.527 -0.001 0.000 0.285 24 F C 1.945 177.507 175.800 -0.398 0.000 1.068 24 F CA 0.493 58.087 58.000 -0.677 0.000 1.265 24 F CB -0.122 38.431 39.000 -0.744 0.000 1.087 24 F HN -0.082 nan 8.300 nan 0.000 0.511 25 I N 0.564 121.075 120.570 -0.098 0.000 2.614 25 I HA -0.223 3.947 4.170 -0.001 0.000 0.258 25 I C 2.099 178.112 176.117 -0.175 0.000 1.189 25 I CA 0.793 61.994 61.300 -0.166 0.000 1.462 25 I CB -0.354 37.520 38.000 -0.210 0.000 1.092 25 I HN 0.205 nan 8.210 nan 0.000 0.442 26 Q N 0.266 119.979 119.800 -0.146 0.000 2.124 26 Q HA -0.204 4.136 4.340 -0.001 0.000 0.202 26 Q C 1.669 177.580 176.000 -0.150 0.000 0.977 26 Q CA 1.567 57.296 55.803 -0.123 0.000 0.850 26 Q CB -0.284 28.405 28.738 -0.081 0.000 0.901 26 Q HN 0.449 nan 8.270 nan 0.000 0.429 27 D N -0.919 119.349 120.400 -0.220 0.000 2.213 27 D HA -0.013 4.627 4.640 -0.001 0.000 0.205 27 D C 1.752 177.889 176.300 -0.272 0.000 0.961 27 D CA 0.332 54.196 54.000 -0.228 0.000 0.853 27 D CB 0.182 40.828 40.800 -0.257 0.000 0.967 27 D HN 0.223 nan 8.370 nan 0.000 0.496 28 I N 0.613 120.962 120.570 -0.369 0.000 2.252 28 I HA -0.164 4.005 4.170 -0.001 0.000 0.245 28 I C 2.349 178.354 176.117 -0.187 0.000 1.102 28 I CA 0.678 61.789 61.300 -0.315 0.000 1.385 28 I CB -0.373 37.408 38.000 -0.365 0.000 1.064 28 I HN -0.024 nan 8.210 nan 0.000 0.414 29 I N 0.564 121.039 120.570 -0.157 0.000 2.361 29 I HA -0.268 3.902 4.170 -0.001 0.000 0.251 29 I C 2.801 178.864 176.117 -0.090 0.000 1.133 29 I CA 1.143 62.380 61.300 -0.106 0.000 1.413 29 I CB -0.278 37.667 38.000 -0.091 0.000 1.073 29 I HN 0.120 nan 8.210 nan 0.000 0.424 30 R N 0.421 120.862 120.500 -0.099 0.000 2.096 30 R HA -0.136 4.203 4.340 -0.001 0.000 0.235 30 R C 2.206 178.462 176.300 -0.074 0.000 1.127 30 R CA 1.471 57.524 56.100 -0.078 0.000 0.968 30 R CB -0.113 30.141 30.300 -0.076 0.000 0.861 30 R HN 0.327 nan 8.270 nan 0.000 0.440 31 I N -0.395 120.119 120.570 -0.093 0.000 2.188 31 I HA -0.200 3.970 4.170 -0.001 0.000 0.237 31 I C 2.181 178.255 176.117 -0.071 0.000 1.073 31 I CA 0.980 62.230 61.300 -0.083 0.000 1.359 31 I CB -0.158 37.782 38.000 -0.101 0.000 1.083 31 I HN 0.066 nan 8.210 nan 0.000 0.412 32 V N -0.871 118.995 119.914 -0.080 0.000 3.129 32 V HA 0.413 4.532 4.120 -0.001 0.000 0.259 32 V C 0.919 176.983 176.094 -0.050 0.000 1.116 32 V CA 0.268 62.529 62.300 -0.065 0.000 1.127 32 V CB -1.224 30.556 31.823 -0.072 0.000 0.742 32 V HN 0.576 nan 8.190 nan 0.000 0.474 33 G N 0.876 109.645 108.800 -0.051 0.000 2.722 33 G HA2 -0.142 3.817 3.960 -0.001 0.000 0.686 33 G HA3 -0.142 3.817 3.960 -0.001 0.000 0.686 33 G C 0.368 175.246 174.900 -0.036 0.000 1.282 33 G CA 0.244 45.321 45.100 -0.039 0.000 0.817 33 G HN 1.428 nan 8.290 nan 0.000 0.605 34 S N -0.180 115.502 115.700 -0.029 0.000 2.474 34 S HA -0.044 4.426 4.470 -0.001 0.000 0.235 34 S C 1.591 176.186 174.600 -0.008 0.000 0.997 34 S CA 1.646 59.833 58.200 -0.022 0.000 0.949 34 S CB 0.094 63.283 63.200 -0.018 0.000 0.766 34 S HN 0.656 nan 8.310 nan 0.000 0.517 35 E N 2.084 122.280 120.200 -0.008 0.000 2.268 35 E HA 0.058 4.408 4.350 -0.001 0.000 0.195 35 E C 0.631 177.231 176.600 0.001 0.000 0.995 35 E CA 0.516 56.916 56.400 0.001 0.000 0.836 35 E CB -0.290 29.410 29.700 -0.001 0.000 0.763 35 E HN 0.547 nan 8.360 nan 0.000 0.491 36 N N 0.148 118.841 118.700 -0.011 0.000 2.275 36 N HA 0.085 4.825 4.740 -0.001 0.000 0.236 36 N C -0.918 174.582 175.510 -0.018 0.000 1.154 36 N CA 0.080 53.121 53.050 -0.015 0.000 0.866 36 N CB 1.590 40.061 38.487 -0.027 0.000 1.093 36 N HN -0.147 nan 8.380 nan 0.000 0.515 37 V N 0.340 120.251 119.914 -0.007 0.000 2.569 37 V HA 0.339 4.458 4.120 -0.001 0.000 0.301 37 V C -0.264 175.849 176.094 0.032 0.000 1.044 37 V CA -0.855 61.445 62.300 -0.000 0.000 0.874 37 V CB 2.978 34.787 31.823 -0.023 0.000 1.002 37 V HN -0.016 nan 8.190 nan 0.000 0.424 38 E N 3.022 123.256 120.200 0.057 0.000 2.191 38 E HA 0.607 4.957 4.350 -0.001 0.000 0.263 38 E C -1.587 175.082 176.600 0.116 0.000 0.881 38 E CA -0.426 56.026 56.400 0.086 0.000 0.757 38 E CB 2.354 32.113 29.700 0.098 0.000 1.147 38 E HN 0.508 nan 8.360 nan 0.000 0.414 39 V N 5.465 125.462 119.914 0.138 0.000 2.427 39 V HA 0.277 4.397 4.120 -0.001 0.000 0.286 39 V C 0.086 176.283 176.094 0.172 0.000 1.034 39 V CA -0.781 61.641 62.300 0.204 0.000 0.893 39 V CB 1.376 33.352 31.823 0.255 0.000 0.982 39 V HN 0.573 nan 8.190 nan 0.000 0.452 40 I N 4.707 125.380 120.570 0.173 0.000 2.301 40 I HA 0.436 4.606 4.170 -0.001 0.000 0.292 40 I C 0.523 176.688 176.117 0.080 0.000 1.046 40 I CA 0.324 61.694 61.300 0.117 0.000 1.282 40 I CB 0.270 38.337 38.000 0.112 0.000 1.409 40 I HN 0.694 nan 8.210 nan 0.000 0.484 48 D N 2.681 123.250 120.400 0.282 0.000 2.144 48 D HA 0.086 4.725 4.640 -0.001 0.000 0.199 48 D C 1.489 177.869 176.300 0.133 0.000 0.984 48 D CA 2.255 56.451 54.000 0.327 0.000 0.834 48 D CB 0.146 41.090 40.800 0.241 0.000 0.955 48 D HN 1.173 nan 8.370 nan 0.000 0.465 49 G N -0.020 108.831 108.800 0.086 0.000 2.527 49 G HA2 -0.222 3.738 3.960 -0.001 0.000 0.268 49 G HA3 -0.222 3.738 3.960 -0.001 0.000 0.268 49 G C 0.012 174.919 174.900 0.010 0.000 1.175 49 G CA 0.735 45.854 45.100 0.033 0.000 0.962 49 G HN 0.784 nan 8.290 nan 0.000 0.560 50 S N -2.759 112.944 115.700 0.004 0.000 2.688 50 S HA 0.608 5.077 4.470 -0.001 0.000 0.275 50 S C 0.278 174.915 174.600 0.062 0.000 1.175 50 S CA 0.457 58.673 58.200 0.026 0.000 0.818 50 S CB 1.433 64.648 63.200 0.025 0.000 1.157 50 S HN 1.738 nan 8.310 nan 0.000 0.482 51 Y N 0.538 120.837 120.300 -0.001 0.000 2.242 51 Y HA 0.063 4.612 4.550 -0.001 0.000 0.291 51 Y C 2.231 178.156 175.900 0.042 0.000 1.137 51 Y CA 1.886 60.011 58.100 0.041 0.000 1.181 51 Y CB -0.293 38.198 38.460 0.052 0.000 0.989 51 Y HN 0.619 nan 8.280 nan 0.000 0.527 52 M N -0.138 119.508 119.600 0.077 0.000 2.156 52 M HA -0.060 4.420 4.480 -0.001 0.000 0.264 52 M C 0.300 176.562 176.300 -0.064 0.000 1.067 52 M CA 1.347 56.646 55.300 -0.002 0.000 1.131 52 M CB 0.120 32.734 32.600 0.023 0.000 1.368 52 M HN -0.290 nan 8.290 nan 0.000 0.416 53 K N 1.015 121.384 120.400 -0.051 0.000 2.357 53 K HA 0.384 4.704 4.320 -0.001 0.000 0.251 53 K C -2.594 173.941 176.600 -0.109 0.000 1.069 53 K CA -1.925 54.321 56.287 -0.069 0.000 0.994 53 K CB 0.427 32.901 32.500 -0.043 0.000 1.411 53 K HN -0.009 nan 8.250 nan 0.000 0.450 54 P HA 0.083 nan 4.420 nan 0.000 0.279 54 P C -0.053 177.056 177.300 -0.319 0.000 1.239 54 P CA -0.333 62.659 63.100 -0.181 0.000 0.789 54 P CB 0.789 32.400 31.700 -0.148 0.000 0.933 55 T N 1.106 115.533 114.554 -0.212 0.000 2.918 55 T HA 0.115 4.465 4.350 -0.001 0.000 0.302 55 T C 0.457 175.041 174.700 -0.193 0.000 1.045 55 T CA 0.159 62.135 62.100 -0.206 0.000 1.114 55 T CB -0.107 68.704 68.868 -0.094 0.000 0.965 55 T HN 0.426 nan 8.240 nan 0.000 0.540 56 H N 1.274 120.394 119.070 0.083 0.000 2.672 56 H HA 0.204 4.759 4.556 -0.001 0.000 0.277 56 H C 1.866 177.271 175.328 0.128 0.000 1.074 56 H CA 0.305 56.410 56.048 0.095 0.000 1.173 56 H CB 0.689 30.503 29.762 0.086 0.000 1.558 56 H HN 0.721 nan 8.280 nan 0.000 0.539 57 T N -2.033 112.673 114.554 0.254 0.000 3.018 57 T HA 0.020 4.370 4.350 -0.001 0.000 0.246 57 T C 0.745 175.635 174.700 0.316 0.000 1.026 57 T CA 0.162 62.432 62.100 0.284 0.000 1.081 57 T CB 0.359 69.412 68.868 0.308 0.000 0.970 57 T HN 0.447 nan 8.240 nan 0.000 0.475 58 H N -0.662 118.493 119.070 0.143 0.000 2.918 58 H HA 0.525 5.081 4.556 -0.001 0.000 0.303 58 H C -2.051 173.402 175.328 0.208 0.000 1.380 58 H CA -0.801 55.350 56.048 0.173 0.000 1.134 58 H CB 0.740 30.603 29.762 0.168 0.000 1.842 58 H HN 0.018 nan 8.280 nan 0.000 0.533 59 D N 2.150 122.675 120.400 0.208 0.000 2.352 59 D HA 0.179 4.819 4.640 -0.001 0.000 0.245 59 D C -1.512 174.925 176.300 0.227 0.000 1.224 59 D CA -2.298 51.838 54.000 0.228 0.000 0.879 59 D CB 1.184 42.245 40.800 0.435 0.000 1.057 59 D HN 0.229 nan 8.370 nan 0.000 0.491 60 P HA -0.090 nan 4.420 nan 0.000 0.222 60 P C 0.148 177.450 177.300 0.003 0.000 1.153 60 P CA 0.852 63.980 63.100 0.046 0.000 0.798 60 P CB 0.214 31.927 31.700 0.021 0.000 0.796 61 H N -0.232 118.870 119.070 0.052 0.000 2.540 61 H HA 0.124 4.679 4.556 -0.001 0.000 0.264 61 H C 0.141 175.604 175.328 0.225 0.000 1.427 61 H CA -0.631 55.421 56.048 0.005 0.000 1.103 61 H CB -0.779 29.059 29.762 0.126 0.000 1.572 61 H HN 0.402 nan 8.280 nan 0.000 0.511 62 H N -1.128 118.214 119.070 0.453 0.000 3.004 62 H HA 0.051 4.606 4.556 -0.001 0.000 0.316 62 H C 1.177 176.776 175.328 0.453 0.000 1.014 62 H CA -0.412 55.907 56.048 0.452 0.000 1.454 62 H CB 0.687 30.668 29.762 0.365 0.000 1.472 62 H HN 0.085 nan 8.280 nan 0.000 0.571 63 V N 0.279 120.407 119.914 0.357 0.000 2.949 63 V HA 0.059 4.179 4.120 -0.001 0.000 0.245 63 V C 1.068 177.190 176.094 0.046 0.000 1.086 63 V CA 0.174 62.485 62.300 0.017 0.000 1.097 63 V CB -0.374 31.362 31.823 -0.145 0.000 0.762 63 V HN 0.570 nan 8.190 nan 0.000 0.470 64 M N 0.549 120.208 119.600 0.097 0.000 2.363 64 M HA 0.418 4.898 4.480 -0.001 0.000 0.280 64 M C -0.245 176.082 176.300 0.045 0.000 1.182 64 M CA -0.592 54.672 55.300 -0.060 0.000 0.974 64 M CB -0.032 32.359 32.600 -0.347 0.000 1.452 64 M HN 0.107 nan 8.290 nan 0.000 0.507 65 D N 1.405 121.776 120.400 -0.049 0.000 2.515 65 D HA -0.095 4.544 4.640 -0.001 0.000 0.232 65 D C 0.938 177.248 176.300 0.017 0.000 1.157 65 D CA 0.352 54.351 54.000 -0.001 0.000 0.871 65 D CB 0.503 41.319 40.800 0.026 0.000 1.200 65 D HN 0.569 nan 8.370 nan 0.000 0.466 66 Q N 1.091 120.791 119.800 -0.167 0.000 2.135 66 Q HA -0.198 4.142 4.340 -0.001 0.000 0.204 66 Q C 0.609 176.619 176.000 0.017 0.000 0.981 66 Q CA 1.514 57.163 55.803 -0.256 0.000 0.856 66 Q CB 0.207 28.693 28.738 -0.420 0.000 0.902 66 Q HN 0.543 nan 8.270 nan 0.000 0.425 67 D N -1.134 119.270 120.400 0.006 0.000 2.388 67 D HA -0.078 4.562 4.640 -0.001 0.000 0.221 67 D C 0.927 177.259 176.300 0.053 0.000 1.133 67 D CA -0.287 53.728 54.000 0.026 0.000 0.831 67 D CB -0.303 40.477 40.800 -0.033 0.000 0.962 67 D HN 0.301 nan 8.370 nan 0.000 0.502 68 Y N 1.127 121.389 120.300 -0.063 0.000 2.109 68 Y HA 0.032 4.582 4.550 -0.001 0.000 0.285 68 Y C 0.249 175.952 175.900 -0.328 0.000 1.131 68 Y CA 1.089 59.048 58.100 -0.235 0.000 1.121 68 Y CB -0.027 38.221 38.460 -0.352 0.000 0.987 68 Y HN -0.196 nan 8.280 nan 0.000 0.495 69 F N 1.342 121.409 119.950 0.196 0.000 2.313 69 F HA 0.418 4.944 4.527 -0.001 0.000 0.369 69 F C -0.648 175.193 175.800 0.067 0.000 1.109 69 F CA -0.673 57.367 58.000 0.068 0.000 1.132 69 F CB 0.907 39.954 39.000 0.078 0.000 1.291 69 F HN -0.165 nan 8.300 nan 0.000 0.496 70 L N 2.923 124.233 121.223 0.146 0.000 2.431 70 L HA 0.884 5.223 4.340 -0.001 0.000 0.266 70 L C -0.574 176.365 176.870 0.115 0.000 0.978 70 L CA -0.634 54.286 54.840 0.134 0.000 0.822 70 L CB 1.676 43.782 42.059 0.079 0.000 1.310 70 L HN 0.536 nan 8.230 nan 0.000 0.409 71 A N 2.224 125.128 122.820 0.139 0.000 2.351 71 A HA 0.514 4.833 4.320 -0.001 0.000 0.257 71 A C 0.964 178.651 177.584 0.172 0.000 1.087 71 A CA 0.352 52.481 52.037 0.153 0.000 0.798 71 A CB 0.480 19.581 19.000 0.167 0.000 1.033 71 A HN 1.082 nan 8.150 nan 0.000 0.488 72 S N 0.783 116.627 115.700 0.239 0.000 2.427 72 S HA 0.481 4.950 4.470 -0.001 0.000 0.224 72 S C 0.822 175.655 174.600 0.389 0.000 1.047 72 S CA 0.847 59.242 58.200 0.326 0.000 0.953 72 S CB -0.294 63.224 63.200 0.531 0.000 0.824 72 S HN 1.802 nan 8.310 nan 0.000 0.502 73 A N 0.124 123.123 122.820 0.299 0.000 2.483 73 A HA 0.852 5.171 4.320 -0.001 0.000 0.286 73 A C -1.544 176.113 177.584 0.122 0.000 1.207 73 A CA -0.832 51.325 52.037 0.199 0.000 0.764 73 A CB 0.993 20.054 19.000 0.101 0.000 1.341 73 A HN 0.351 nan 8.150 nan 0.000 0.428 74 I N -0.109 120.514 120.570 0.088 0.000 2.534 74 I HA 0.480 4.650 4.170 -0.001 0.000 0.288 74 I C -1.070 175.055 176.117 0.014 0.000 1.077 74 I CA -0.291 61.046 61.300 0.062 0.000 1.051 74 I CB 2.280 40.345 38.000 0.109 0.000 1.234 74 I HN 0.348 nan 8.210 nan 0.000 0.425 75 V N 5.014 124.914 119.914 -0.025 0.000 2.604 75 V HA 0.792 4.912 4.120 -0.001 0.000 0.305 75 V C -0.117 175.940 176.094 -0.062 0.000 1.043 75 V CA -0.702 61.569 62.300 -0.048 0.000 0.888 75 V CB 1.871 33.650 31.823 -0.072 0.000 0.995 75 V HN 0.761 nan 8.190 nan 0.000 0.429 76 A N 6.594 129.379 122.820 -0.058 0.000 2.511 76 A HA 0.732 5.052 4.320 -0.001 0.000 0.340 76 A C -2.500 175.048 177.584 -0.059 0.000 1.396 76 A CA -1.632 50.366 52.037 -0.065 0.000 0.887 76 A CB 0.322 19.290 19.000 -0.054 0.000 1.145 76 A HN 0.578 nan 8.150 nan 0.000 0.497 77 P HA 0.064 nan 4.420 nan 0.000 0.266 77 P C 0.379 177.649 177.300 -0.049 0.000 1.195 77 P CA 0.090 63.154 63.100 -0.060 0.000 0.768 77 P CB 0.903 32.566 31.700 -0.063 0.000 0.838 78 R N 2.111 122.585 120.500 -0.044 0.000 2.093 78 R HA 0.032 4.372 4.340 -0.001 0.000 0.224 78 R C 1.237 177.519 176.300 -0.030 0.000 1.101 78 R CA 1.019 57.099 56.100 -0.034 0.000 0.979 78 R CB -0.097 30.185 30.300 -0.031 0.000 0.877 78 R HN 0.713 nan 8.270 nan 0.000 0.441 79 N N -2.592 116.088 118.700 -0.033 0.000 3.243 79 N HA 0.077 4.817 4.740 -0.001 0.000 0.280 79 N C 0.471 175.961 175.510 -0.034 0.000 1.545 79 N CA -0.666 52.367 53.050 -0.028 0.000 0.854 79 N CB 1.360 39.833 38.487 -0.023 0.000 1.612 79 N HN -0.347 nan 8.380 nan 0.000 0.577 80 V N 0.198 120.094 119.914 -0.030 0.000 2.332 80 V HA -0.245 3.875 4.120 -0.001 0.000 0.248 80 V C 2.650 178.720 176.094 -0.040 0.000 1.055 80 V CA 2.683 64.962 62.300 -0.035 0.000 1.038 80 V CB -1.328 30.476 31.823 -0.032 0.000 0.651 80 V HN 0.837 nan 8.190 nan 0.000 0.450 81 A N -0.055 122.743 122.820 -0.037 0.000 1.933 81 A HA -0.232 4.088 4.320 -0.001 0.000 0.218 81 A C 1.945 179.503 177.584 -0.044 0.000 1.175 81 A CA 1.917 53.931 52.037 -0.039 0.000 0.628 81 A CB -0.601 18.378 19.000 -0.035 0.000 0.814 81 A HN 0.535 nan 8.150 nan 0.000 0.444 82 D N -0.143 120.229 120.400 -0.047 0.000 2.178 82 D HA -0.101 4.539 4.640 -0.001 0.000 0.201 82 D C 2.013 178.277 176.300 -0.061 0.000 0.980 82 D CA 1.329 55.295 54.000 -0.057 0.000 0.842 82 D CB -0.418 40.347 40.800 -0.057 0.000 0.948 82 D HN 0.251 nan 8.370 nan 0.000 0.472 83 V N 0.816 120.697 119.914 -0.055 0.000 2.295 83 V HA -0.277 3.842 4.120 -0.001 0.000 0.246 83 V C 2.425 178.490 176.094 -0.047 0.000 1.049 83 V CA 1.661 63.928 62.300 -0.055 0.000 1.024 83 V CB -0.634 31.155 31.823 -0.056 0.000 0.648 83 V HN 0.219 nan 8.190 nan 0.000 0.447 84 Q N -0.165 119.609 119.800 -0.043 0.000 2.084 84 Q HA -0.166 4.174 4.340 -0.001 0.000 0.202 84 Q C 2.552 178.533 176.000 -0.031 0.000 0.978 84 Q CA 1.890 57.672 55.803 -0.035 0.000 0.844 84 Q CB -0.270 28.447 28.738 -0.034 0.000 0.898 84 Q HN 0.600 nan 8.270 nan 0.000 0.426 85 S N 0.804 116.478 115.700 -0.043 0.000 2.348 85 S HA -0.136 4.333 4.470 -0.001 0.000 0.221 85 S C 1.970 176.530 174.600 -0.067 0.000 1.033 85 S CA 0.992 59.161 58.200 -0.053 0.000 1.010 85 S CB -0.239 62.922 63.200 -0.065 0.000 0.891 85 S HN 0.248 nan 8.310 nan 0.000 0.442 86 I N 1.161 121.682 120.570 -0.081 0.000 2.091 86 I HA -0.216 3.953 4.170 -0.001 0.000 0.239 86 I C 2.259 178.368 176.117 -0.013 0.000 1.061 86 I CA 1.122 62.368 61.300 -0.091 0.000 1.317 86 I CB -0.608 37.343 38.000 -0.082 0.000 1.031 86 I HN 0.127 nan 8.210 nan 0.000 0.401 87 V N 1.024 120.940 119.914 0.002 0.000 2.287 87 V HA -0.290 3.829 4.120 -0.001 0.000 0.248 87 V C 2.590 178.723 176.094 0.065 0.000 1.053 87 V CA 2.295 64.617 62.300 0.037 0.000 1.027 87 V CB -1.619 30.209 31.823 0.009 0.000 0.646 87 V HN 0.646 nan 8.190 nan 0.000 0.447 88 G N -0.154 108.668 108.800 0.037 0.000 2.529 88 G HA2 -0.294 3.665 3.960 -0.001 0.000 0.219 88 G HA3 -0.294 3.665 3.960 -0.001 0.000 0.219 88 G C 1.579 176.543 174.900 0.106 0.000 1.177 88 G CA 1.489 46.619 45.100 0.050 0.000 0.773 88 G HN 0.479 nan 8.290 nan 0.000 0.573 89 L N 0.697 121.985 121.223 0.108 0.000 2.017 89 L HA -0.030 4.309 4.340 -0.001 0.000 0.208 89 L C 3.462 180.653 176.870 0.534 0.000 1.073 89 L CA 1.122 56.100 54.840 0.230 0.000 0.745 89 L CB -0.522 41.473 42.059 -0.107 0.000 0.894 89 L HN 0.300 nan 8.230 nan 0.000 0.432 90 A N 0.165 123.266 122.820 0.469 0.000 1.917 90 A HA -0.270 4.049 4.320 -0.001 0.000 0.219 90 A C 2.115 179.918 177.584 0.365 0.000 1.182 90 A CA 2.201 54.541 52.037 0.505 0.000 0.633 90 A CB -0.697 18.481 19.000 0.296 0.000 0.819 90 A HN 0.465 nan 8.150 nan 0.000 0.448 91 N N -0.195 118.647 118.700 0.238 0.000 2.025 91 N HA -0.193 4.546 4.740 -0.001 0.000 0.194 91 N C 1.724 177.324 175.510 0.149 0.000 1.044 91 N CA 1.812 54.958 53.050 0.160 0.000 0.851 91 N CB -0.465 38.081 38.487 0.098 0.000 1.036 91 N HN 0.692 nan 8.380 nan 0.000 0.422 92 K N -0.353 120.137 120.400 0.149 0.000 2.173 92 K HA -0.120 4.199 4.320 -0.001 0.000 0.207 92 K C 1.027 177.545 176.600 -0.136 0.000 1.046 92 K CA 1.362 57.648 56.287 -0.002 0.000 0.929 92 K CB -0.128 32.364 32.500 -0.013 0.000 0.720 92 K HN 0.117 nan 8.250 nan 0.000 0.453 93 F N 0.061 120.137 119.950 0.211 0.000 2.678 93 F HA 0.250 4.777 4.527 -0.001 0.000 0.305 93 F C 0.332 176.186 175.800 0.091 0.000 1.090 93 F CA -0.162 57.947 58.000 0.183 0.000 1.272 93 F CB 0.688 39.891 39.000 0.338 0.000 1.060 93 F HN -0.212 nan 8.300 nan 0.000 0.576 94 S N 1.164 117.006 115.700 0.238 0.000 3.524 94 S HA -0.251 4.219 4.470 -0.001 0.000 0.377 94 S C -0.402 174.310 174.600 0.186 0.000 0.949 94 S CA 0.089 58.392 58.200 0.172 0.000 1.264 94 S CB -1.764 61.486 63.200 0.082 0.000 0.918 94 S HN 0.250 nan 8.310 nan 0.000 0.517 95 F N 3.646 123.640 119.950 0.073 0.000 2.361 95 F HA 0.444 4.970 4.527 -0.001 0.000 0.364 95 F C -2.105 173.702 175.800 0.012 0.000 1.117 95 F CA -2.744 55.213 58.000 -0.071 0.000 1.071 95 F CB 0.868 39.592 39.000 -0.460 0.000 1.188 95 F HN -0.000 nan 8.300 nan 0.000 0.464 96 P HA 0.143 nan 4.420 nan 0.000 0.268 96 P C -1.006 176.412 177.300 0.197 0.000 1.205 96 P CA 0.167 63.441 63.100 0.290 0.000 0.771 96 P CB 1.029 32.891 31.700 0.271 0.000 0.858 97 L N 2.602 123.897 121.223 0.119 0.000 2.346 97 L HA 0.507 4.847 4.340 -0.001 0.000 0.276 97 L C -0.131 176.825 176.870 0.143 0.000 1.006 97 L CA -0.496 54.386 54.840 0.070 0.000 0.817 97 L CB 2.310 44.375 42.059 0.011 0.000 1.272 97 L HN 0.453 nan 8.230 nan 0.000 0.421 98 W N 6.317 127.586 121.300 -0.053 0.000 2.338 98 W HA 0.376 5.036 4.660 -0.001 0.000 0.315 98 W C -2.610 173.874 176.519 -0.057 0.000 1.005 98 W CA -1.762 55.550 57.345 -0.055 0.000 1.380 98 W CB 2.080 31.523 29.460 -0.028 0.000 1.235 98 W HN 0.210 nan 8.180 nan 0.000 0.409 99 P HA 0.222 nan 4.420 nan 0.000 0.293 99 P C -0.456 176.650 177.300 -0.324 0.000 1.313 99 P CA 0.106 63.032 63.100 -0.290 0.000 0.787 99 P CB 1.488 33.015 31.700 -0.288 0.000 0.910 100 I N -0.557 119.923 120.570 -0.149 0.000 2.910 100 I HA 0.586 4.755 4.170 -0.001 0.000 0.310 100 I C 0.439 176.503 176.117 -0.089 0.000 1.043 100 I CA -0.665 60.580 61.300 -0.091 0.000 1.053 100 I CB 2.024 40.043 38.000 0.033 0.000 1.242 100 I HN 0.006 nan 8.210 nan 0.000 0.452 101 S N 1.961 117.626 115.700 -0.057 0.000 2.655 101 S HA 0.376 4.845 4.470 -0.001 0.000 0.231 101 S C 1.205 175.789 174.600 -0.027 0.000 1.044 101 S CA 0.309 58.478 58.200 -0.052 0.000 0.910 101 S CB 0.190 63.361 63.200 -0.048 0.000 0.833 101 S HN 0.677 nan 8.310 nan 0.000 0.581 102 I N -0.284 120.295 120.570 0.014 0.000 4.433 102 I HA 0.282 4.452 4.170 -0.001 0.000 0.322 102 I C 1.534 177.717 176.117 0.110 0.000 1.284 102 I CA 1.006 62.336 61.300 0.051 0.000 1.269 102 I CB -0.374 37.656 38.000 0.049 0.000 1.219 102 I HN 0.480 nan 8.210 nan 0.000 0.436 103 G N 1.965 110.832 108.800 0.112 0.000 2.136 103 G HA2 -0.310 3.650 3.960 -0.001 0.000 0.242 103 G HA3 -0.310 3.650 3.960 -0.001 0.000 0.242 103 G C 0.915 175.894 174.900 0.133 0.000 0.989 103 G CA 0.226 45.425 45.100 0.166 0.000 0.682 103 G HN 0.337 nan 8.290 nan 0.000 0.522 104 R N -0.175 120.388 120.500 0.106 0.000 2.449 104 R HA 0.158 4.497 4.340 -0.001 0.000 0.262 104 R C 1.234 177.650 176.300 0.193 0.000 1.006 104 R CA -0.146 56.012 56.100 0.096 0.000 1.104 104 R CB -0.100 30.214 30.300 0.022 0.000 1.206 104 R HN 0.180 nan 8.270 nan 0.000 0.538 105 N N 0.527 119.341 118.700 0.189 0.000 2.683 105 N HA 0.001 4.741 4.740 -0.001 0.000 0.256 105 N C -0.759 174.872 175.510 0.203 0.000 1.270 105 N CA 0.222 53.409 53.050 0.229 0.000 0.954 105 N CB 0.003 38.617 38.487 0.210 0.000 1.289 105 N HN -0.008 nan 8.380 nan 0.000 0.508 106 S N -1.134 114.670 115.700 0.173 0.000 2.573 106 S HA 0.357 4.826 4.470 -0.001 0.000 0.277 106 S C 1.449 175.925 174.600 -0.208 0.000 1.346 106 S CA 0.442 58.675 58.200 0.054 0.000 1.034 106 S CB 0.707 63.959 63.200 0.087 0.000 0.879 106 S HN 0.614 nan 8.310 nan 0.000 0.528 107 G N 0.926 109.474 108.800 -0.420 0.000 2.234 107 G HA2 -0.276 3.684 3.960 -0.001 0.000 0.260 107 G HA3 -0.276 3.684 3.960 -0.001 0.000 0.260 107 G C 0.280 174.968 174.900 -0.353 0.000 0.987 107 G CA 0.574 45.227 45.100 -0.744 0.000 0.625 107 G HN 0.697 nan 8.290 nan 0.000 0.532 108 Y N -0.486 119.883 120.300 0.116 0.000 2.563 108 Y HA 0.478 5.027 4.550 -0.001 0.000 0.250 108 Y C 1.966 177.596 175.900 -0.451 0.000 1.126 108 Y CA 0.161 58.259 58.100 -0.004 0.000 1.231 108 Y CB 1.128 39.619 38.460 0.053 0.000 1.288 108 Y HN 0.971 nan 8.280 nan 0.000 0.537 109 G N -1.258 107.412 108.800 -0.217 0.000 2.551 109 G HA2 0.139 4.098 3.960 -0.001 0.000 0.186 109 G HA3 0.139 4.098 3.960 -0.001 0.000 0.186 109 G C 0.958 175.858 174.900 0.000 0.000 1.002 109 G CA 0.052 44.978 45.100 -0.289 0.000 0.723 109 G HN 0.837 nan 8.290 nan 0.000 0.481 110 G N 0.518 109.367 108.800 0.081 0.000 2.574 110 G HA2 0.137 4.097 3.960 -0.001 0.000 0.286 110 G HA3 0.137 4.097 3.960 -0.001 0.000 0.286 110 G C 1.251 176.242 174.900 0.151 0.000 1.212 110 G CA 2.250 47.426 45.100 0.128 0.000 0.979 110 G HN 1.916 nan 8.290 nan 0.000 0.557 111 A N 0.388 123.302 122.820 0.157 0.000 2.337 111 A HA 0.734 5.053 4.320 -0.001 0.000 0.227 111 A C 1.408 179.103 177.584 0.184 0.000 1.259 111 A CA 1.625 53.804 52.037 0.237 0.000 0.870 111 A CB -0.702 18.461 19.000 0.273 0.000 0.927 111 A HN 2.339 nan 8.150 nan 0.000 0.497 112 A N 1.581 124.423 122.820 0.037 0.000 2.425 112 A HA 0.557 4.877 4.320 -0.001 0.000 0.249 112 A C -2.443 174.740 177.584 -0.669 0.000 1.084 112 A CA -1.280 50.687 52.037 -0.115 0.000 0.781 112 A CB -0.034 18.969 19.000 0.005 0.000 1.019 112 A HN 0.271 nan 8.150 nan 0.000 0.490 113 P HA 0.242 nan 4.420 nan 0.000 0.284 113 P C 0.254 177.014 177.300 -0.899 0.000 1.253 113 P CA -0.426 61.850 63.100 -1.374 0.000 0.800 113 P CB 1.187 32.619 31.700 -0.446 0.000 0.961 114 R N 2.829 122.595 120.500 -1.224 0.000 2.115 114 R HA -0.002 4.338 4.340 -0.001 0.000 0.230 114 R C 0.054 176.393 176.300 0.065 0.000 1.111 114 R CA 1.476 57.315 56.100 -0.435 0.000 0.976 114 R CB -0.899 29.166 30.300 -0.392 0.000 0.870 114 R HN 0.330 nan 8.270 nan 0.000 0.445 115 V N 1.668 121.533 119.914 -0.081 0.000 2.350 115 V HA 0.300 4.420 4.120 -0.001 0.000 0.276 115 V C -0.305 175.825 176.094 0.058 0.000 1.028 115 V CA -0.749 61.557 62.300 0.010 0.000 0.860 115 V CB 1.471 33.209 31.823 -0.142 0.000 0.990 115 V HN 0.188 nan 8.190 nan 0.000 0.453 116 S N 3.586 119.363 115.700 0.128 0.000 2.533 116 S HA 0.478 4.947 4.470 -0.001 0.000 0.282 116 S C 1.219 175.901 174.600 0.136 0.000 1.304 116 S CA 0.649 58.906 58.200 0.094 0.000 1.063 116 S CB 0.813 64.024 63.200 0.018 0.000 0.881 116 S HN 1.433 nan 8.310 nan 0.000 0.493 117 G N 2.426 111.317 108.800 0.150 0.000 2.255 117 G HA2 -0.197 3.763 3.960 -0.001 0.000 0.196 117 G HA3 -0.197 3.763 3.960 -0.001 0.000 0.196 117 G C 0.159 175.275 174.900 0.360 0.000 0.998 117 G CA -0.200 45.026 45.100 0.209 0.000 0.656 117 G HN 0.678 nan 8.290 nan 0.000 0.490 118 S N 0.057 115.926 115.700 0.282 0.000 2.579 118 S HA 0.452 4.921 4.470 -0.001 0.000 0.275 118 S C 0.752 175.472 174.600 0.199 0.000 1.345 118 S CA -0.209 58.168 58.200 0.295 0.000 1.031 118 S CB 2.001 65.327 63.200 0.209 0.000 0.892 118 S HN 0.652 nan 8.310 nan 0.000 0.529 119 V N 3.684 123.577 119.914 -0.035 0.000 2.446 119 V HA 0.066 4.186 4.120 -0.001 0.000 0.276 119 V C 0.186 176.302 176.094 0.035 0.000 1.030 119 V CA -0.297 61.930 62.300 -0.121 0.000 1.033 119 V CB 0.524 32.107 31.823 -0.400 0.000 0.993 119 V HN 0.643 nan 8.190 nan 0.000 0.477 120 V N 7.250 127.223 119.914 0.098 0.000 2.521 120 V HA 0.091 4.210 4.120 -0.001 0.000 0.286 120 V C 0.214 176.335 176.094 0.045 0.000 1.034 120 V CA -0.232 62.157 62.300 0.147 0.000 1.045 120 V CB 1.146 33.077 31.823 0.181 0.000 0.974 120 V HN 0.537 nan 8.190 nan 0.000 0.480 121 L N 5.095 126.330 121.223 0.020 0.000 2.270 121 L HA 0.374 4.714 4.340 -0.001 0.000 0.286 121 L C 0.412 177.230 176.870 -0.085 0.000 1.059 121 L CA 0.067 54.878 54.840 -0.049 0.000 0.839 121 L CB 0.737 42.756 42.059 -0.066 0.000 1.221 121 L HN 0.574 nan 8.230 nan 0.000 0.431 122 D N 4.371 124.698 120.400 -0.122 0.000 2.600 122 D HA 0.008 4.647 4.640 -0.001 0.000 0.226 122 D C 1.285 177.506 176.300 -0.131 0.000 1.119 122 D CA 0.022 53.905 54.000 -0.193 0.000 1.051 122 D CB 0.471 41.101 40.800 -0.283 0.000 1.106 122 D HN 0.392 nan 8.370 nan 0.000 0.491 123 M N 0.386 119.921 119.600 -0.109 0.000 2.279 123 M HA -0.034 4.446 4.480 -0.001 0.000 0.264 123 M C 1.918 178.173 176.300 -0.074 0.000 1.062 123 M CA 0.795 56.043 55.300 -0.087 0.000 1.099 123 M CB -0.692 31.855 32.600 -0.088 0.000 1.394 123 M HN 0.306 nan 8.290 nan 0.000 0.426 124 G N -0.211 108.541 108.800 -0.079 0.000 2.603 124 G HA2 -0.145 3.815 3.960 -0.001 0.000 0.214 124 G HA3 -0.145 3.815 3.960 -0.001 0.000 0.214 124 G C 1.651 176.526 174.900 -0.041 0.000 1.140 124 G CA 0.481 45.548 45.100 -0.055 0.000 0.800 124 G HN 0.441 nan 8.290 nan 0.000 0.533 125 K N 0.930 121.298 120.400 -0.054 0.000 1.991 125 K HA -0.125 4.194 4.320 -0.001 0.000 0.212 125 K C 2.007 178.596 176.600 -0.019 0.000 1.049 125 K CA 1.906 58.176 56.287 -0.027 0.000 0.932 125 K CB -0.071 32.409 32.500 -0.034 0.000 0.717 125 K HN 0.228 nan 8.250 nan 0.000 0.441 126 N N -0.429 118.254 118.700 -0.028 0.000 2.482 126 N HA 0.042 4.782 4.740 -0.001 0.000 0.179 126 N C 0.084 175.582 175.510 -0.021 0.000 1.039 126 N CA 0.417 53.455 53.050 -0.021 0.000 0.884 126 N CB 0.200 38.673 38.487 -0.023 0.000 1.113 126 N HN 0.170 nan 8.380 nan 0.000 0.440 127 M N 1.452 121.035 119.600 -0.029 0.000 2.618 127 M HA 0.094 4.574 4.480 -0.001 0.000 0.322 127 M C 0.404 176.687 176.300 -0.028 0.000 1.471 127 M CA 0.329 55.613 55.300 -0.027 0.000 1.450 127 M CB -0.162 32.418 32.600 -0.034 0.000 1.444 127 M HN 0.114 nan 8.290 nan 0.000 0.471 128 N N 0.454 119.142 118.700 -0.020 0.000 2.211 128 N HA 0.161 4.901 4.740 -0.001 0.000 0.216 128 N C -0.327 175.171 175.510 -0.019 0.000 1.240 128 N CA -0.250 52.790 53.050 -0.016 0.000 0.895 128 N CB 0.872 39.356 38.487 -0.004 0.000 1.102 128 N HN 0.435 nan 8.380 nan 0.000 0.498 129 R N 1.246 121.735 120.500 -0.018 0.000 2.442 129 R HA 0.188 4.528 4.340 -0.001 0.000 0.291 129 R C -0.474 175.787 176.300 -0.066 0.000 1.069 129 R CA -0.196 55.893 56.100 -0.018 0.000 1.022 129 R CB 1.349 31.648 30.300 -0.002 0.000 0.976 129 R HN -0.104 nan 8.270 nan 0.000 0.443 130 V N 6.119 125.971 119.914 -0.104 0.000 2.403 130 V HA -0.055 4.064 4.120 -0.001 0.000 0.265 130 V C 1.618 177.588 176.094 -0.205 0.000 1.034 130 V CA 0.449 62.594 62.300 -0.259 0.000 1.036 130 V CB 0.312 31.779 31.823 -0.592 0.000 1.032 130 V HN 0.777 nan 8.190 nan 0.000 0.478 131 L N 3.236 124.364 121.223 -0.158 0.000 2.044 131 L HA 0.171 4.510 4.340 -0.001 0.000 0.205 131 L C 1.146 177.970 176.870 -0.075 0.000 1.075 131 L CA 1.316 56.111 54.840 -0.075 0.000 0.747 131 L CB 0.157 42.196 42.059 -0.033 0.000 0.903 131 L HN 0.626 nan 8.230 nan 0.000 0.435 132 E N -0.884 119.230 120.200 -0.144 0.000 2.366 132 E HA 0.380 4.730 4.350 -0.001 0.000 0.278 132 E C -1.732 174.730 176.600 -0.230 0.000 0.923 132 E CA -0.350 55.972 56.400 -0.129 0.000 0.761 132 E CB 3.100 32.768 29.700 -0.053 0.000 1.231 132 E HN -0.275 nan 8.360 nan 0.000 0.443 133 V N 4.017 123.809 119.914 -0.203 0.000 2.409 133 V HA 0.305 4.424 4.120 -0.001 0.000 0.290 133 V C -0.270 175.670 176.094 -0.256 0.000 1.017 133 V CA -0.927 61.235 62.300 -0.231 0.000 0.841 133 V CB 1.509 33.269 31.823 -0.106 0.000 1.003 133 V HN 0.511 nan 8.190 nan 0.000 0.426 134 N N 3.762 122.157 118.700 -0.509 0.000 2.425 134 N HA 0.325 5.065 4.740 -0.001 0.000 0.268 134 N C 0.551 175.861 175.510 -0.333 0.000 0.991 134 N CA -0.193 52.556 53.050 -0.502 0.000 0.931 134 N CB 2.324 40.208 38.487 -1.005 0.000 1.130 134 N HN 0.319 nan 8.380 nan 0.000 0.493 135 V N 4.237 124.051 119.914 -0.168 0.000 2.302 135 V HA -0.182 3.938 4.120 -0.001 0.000 0.243 135 V C 2.193 178.240 176.094 -0.078 0.000 1.036 135 V CA 1.891 64.129 62.300 -0.103 0.000 1.020 135 V CB -0.481 31.305 31.823 -0.063 0.000 0.657 135 V HN 0.797 nan 8.190 nan 0.000 0.453 136 E N 1.048 121.215 120.200 -0.056 0.000 2.208 136 E HA -0.080 4.270 4.350 -0.001 0.000 0.193 136 E C 2.029 178.625 176.600 -0.007 0.000 0.988 136 E CA 1.365 57.748 56.400 -0.029 0.000 0.828 136 E CB -0.488 29.203 29.700 -0.015 0.000 0.763 136 E HN 0.506 nan 8.360 nan 0.000 0.478 137 G N 0.699 109.516 108.800 0.029 0.000 2.939 137 G HA2 0.257 4.216 3.960 -0.001 0.000 0.210 137 G HA3 0.257 4.216 3.960 -0.001 0.000 0.210 137 G C 0.697 175.692 174.900 0.158 0.000 1.160 137 G CA -0.067 45.119 45.100 0.143 0.000 0.770 137 G HN 0.581 nan 8.290 nan 0.000 0.543 138 A N -1.159 121.671 122.820 0.016 0.000 2.416 138 A HA 0.029 4.349 4.320 -0.001 0.000 0.293 138 A C 0.062 177.741 177.584 0.157 0.000 1.452 138 A CA 1.313 53.355 52.037 0.008 0.000 0.738 138 A CB -2.514 16.475 19.000 -0.019 0.000 1.123 138 A HN 1.899 nan 8.150 nan 0.000 0.389 139 Y N -2.751 117.581 120.300 0.055 0.000 2.705 139 Y HA 0.743 5.293 4.550 -0.001 0.000 0.332 139 Y C -0.097 175.793 175.900 -0.016 0.000 1.221 139 Y CA -1.437 56.726 58.100 0.106 0.000 1.059 139 Y CB 0.220 38.820 38.460 0.233 0.000 1.298 139 Y HN 1.336 nan 8.280 nan 0.000 0.459 140 C N 0.179 119.556 119.300 0.127 0.000 3.090 140 C HA 0.935 5.395 4.460 -0.001 0.000 0.305 140 C C -1.088 173.834 174.990 -0.112 0.000 1.292 140 C CA -0.984 57.984 59.018 -0.083 0.000 1.482 140 C CB 1.120 28.773 27.740 -0.144 0.000 1.897 140 C HN 0.866 nan 8.230 nan 0.000 0.469 141 V N 1.665 121.436 119.914 -0.239 0.000 2.547 141 V HA 0.822 4.942 4.120 -0.001 0.000 0.299 141 V C -0.181 175.767 176.094 -0.243 0.000 1.040 141 V CA -0.376 61.710 62.300 -0.358 0.000 0.913 141 V CB 1.466 33.013 31.823 -0.460 0.000 0.992 141 V HN 0.917 nan 8.190 nan 0.000 0.449 142 V N 3.022 122.810 119.914 -0.210 0.000 2.925 142 V HA 0.459 4.579 4.120 -0.001 0.000 0.311 142 V C -0.325 175.701 176.094 -0.112 0.000 1.104 142 V CA -0.569 61.633 62.300 -0.165 0.000 0.954 142 V CB 2.452 34.167 31.823 -0.181 0.000 1.022 142 V HN 0.980 nan 8.190 nan 0.000 0.427 143 E N 4.550 124.697 120.200 -0.088 0.000 2.280 143 E HA 0.318 4.668 4.350 -0.001 0.000 0.264 143 E C -1.843 174.714 176.600 -0.072 0.000 1.064 143 E CA -1.675 54.690 56.400 -0.059 0.000 0.900 143 E CB 1.479 31.155 29.700 -0.039 0.000 1.123 143 E HN 0.404 nan 8.360 nan 0.000 0.418 144 P HA -0.144 nan 4.420 nan 0.000 0.218 144 P C 0.930 178.192 177.300 -0.063 0.000 1.146 144 P CA 1.136 64.195 63.100 -0.068 0.000 0.813 144 P CB 0.130 31.790 31.700 -0.066 0.000 0.778 145 G N -1.294 107.474 108.800 -0.053 0.000 2.985 145 G HA2 0.055 4.014 3.960 -0.001 0.000 0.209 145 G HA3 0.055 4.014 3.960 -0.001 0.000 0.209 145 G C 0.185 175.064 174.900 -0.035 0.000 1.165 145 G CA -0.026 45.051 45.100 -0.037 0.000 0.776 145 G HN 0.149 nan 8.290 nan 0.000 0.541 146 V N 2.907 122.783 119.914 -0.063 0.000 2.405 146 V HA 0.250 4.370 4.120 -0.001 0.000 0.264 146 V C 1.051 177.088 176.094 -0.095 0.000 1.048 146 V CA -0.454 61.804 62.300 -0.070 0.000 0.966 146 V CB 0.053 31.811 31.823 -0.109 0.000 1.015 146 V HN 0.376 nan 8.190 nan 0.000 0.477 147 T N 1.807 116.348 114.554 -0.022 0.000 2.754 147 T HA 0.189 4.539 4.350 -0.001 0.000 0.286 147 T C 0.992 175.675 174.700 -0.027 0.000 0.997 147 T CA -0.037 62.067 62.100 0.007 0.000 0.982 147 T CB 0.484 69.444 68.868 0.153 0.000 1.027 147 T HN 0.396 nan 8.240 nan 0.000 0.529 148 Y N -0.493 119.865 120.300 0.097 0.000 2.165 148 Y HA -0.102 4.448 4.550 -0.001 0.000 0.286 148 Y C 2.847 178.831 175.900 0.141 0.000 1.155 148 Y CA 2.066 60.206 58.100 0.067 0.000 1.164 148 Y CB -0.812 37.655 38.460 0.011 0.000 0.978 148 Y HN 0.900 nan 8.280 nan 0.000 0.513 149 H N -0.496 118.726 119.070 0.253 0.000 2.357 149 H HA -0.167 4.389 4.556 -0.001 0.000 0.301 149 H C 1.794 177.247 175.328 0.209 0.000 1.082 149 H CA 0.993 57.191 56.048 0.248 0.000 1.342 149 H CB 0.126 30.069 29.762 0.302 0.000 1.389 149 H HN 0.240 nan 8.280 nan 0.000 0.511 150 D N 0.539 121.106 120.400 0.278 0.000 2.126 150 D HA -0.189 4.450 4.640 -0.001 0.000 0.190 150 D C 2.216 178.625 176.300 0.181 0.000 1.001 150 D CA 1.056 55.153 54.000 0.162 0.000 0.841 150 D CB -0.392 40.460 40.800 0.087 0.000 0.949 150 D HN 0.278 nan 8.370 nan 0.000 0.446 151 L N 0.504 121.816 121.223 0.149 0.000 2.056 151 L HA -0.139 4.200 4.340 -0.001 0.000 0.207 151 L C 2.279 179.276 176.870 0.212 0.000 1.078 151 L CA 1.738 56.652 54.840 0.123 0.000 0.749 151 L CB -0.733 41.343 42.059 0.028 0.000 0.901 151 L HN 0.194 nan 8.230 nan 0.000 0.433 152 H N -0.392 118.770 119.070 0.155 0.000 2.290 152 H HA -0.185 4.371 4.556 -0.001 0.000 0.298 152 H C 1.726 177.150 175.328 0.161 0.000 1.087 152 H CA 1.971 58.102 56.048 0.139 0.000 1.291 152 H CB 0.156 29.988 29.762 0.116 0.000 1.369 152 H HN 0.416 nan 8.280 nan 0.000 0.492 153 N N 0.238 119.028 118.700 0.150 0.000 2.272 153 N HA -0.179 4.561 4.740 -0.001 0.000 0.185 153 N C 1.834 177.354 175.510 0.016 0.000 1.014 153 N CA 0.928 53.998 53.050 0.034 0.000 0.870 153 N CB -0.646 37.892 38.487 0.085 0.000 0.975 153 N HN 0.487 nan 8.380 nan 0.000 0.433 154 Y N 1.573 121.861 120.300 -0.021 0.000 2.242 154 Y HA -0.029 4.521 4.550 -0.001 0.000 0.291 154 Y C 2.193 178.062 175.900 -0.050 0.000 1.137 154 Y CA 1.164 59.246 58.100 -0.029 0.000 1.181 154 Y CB -0.240 38.211 38.460 -0.016 0.000 0.989 154 Y HN -0.036 nan 8.280 nan 0.000 0.527 155 L N -0.467 120.846 121.223 0.149 0.000 2.109 155 L HA -0.140 4.200 4.340 -0.001 0.000 0.207 155 L C 2.429 179.261 176.870 -0.062 0.000 1.086 155 L CA 1.139 56.021 54.840 0.070 0.000 0.760 155 L CB -0.503 41.600 42.059 0.073 0.000 0.910 155 L HN 0.208 nan 8.230 nan 0.000 0.437 156 E N 0.745 120.850 120.200 -0.158 0.000 2.015 156 E HA -0.157 4.193 4.350 -0.001 0.000 0.191 156 E C 2.044 178.573 176.600 -0.119 0.000 0.991 156 E CA 1.354 57.659 56.400 -0.159 0.000 0.802 156 E CB -0.175 29.388 29.700 -0.228 0.000 0.759 156 E HN 0.378 nan 8.360 nan 0.000 0.447 157 A N 0.756 123.493 122.820 -0.139 0.000 2.263 157 A HA -0.080 4.240 4.320 -0.001 0.000 0.205 157 A C 1.057 178.527 177.584 -0.191 0.000 1.226 157 A CA 0.783 52.732 52.037 -0.148 0.000 0.810 157 A CB -0.655 18.254 19.000 -0.151 0.000 0.784 157 A HN 0.171 nan 8.150 nan 0.000 0.486 158 N N -0.405 118.189 118.700 -0.177 0.000 2.167 158 N HA 0.076 4.815 4.740 -0.001 0.000 0.234 158 N C -0.187 175.276 175.510 -0.079 0.000 1.312 158 N CA -0.152 52.803 53.050 -0.160 0.000 0.861 158 N CB 0.283 38.631 38.487 -0.231 0.000 1.217 158 N HN 0.334 nan 8.380 nan 0.000 0.504 159 N N 0.367 119.030 118.700 -0.062 0.000 2.708 159 N HA -0.213 4.527 4.740 -0.001 0.000 0.251 159 N C 0.310 175.816 175.510 -0.007 0.000 1.123 159 N CA 0.576 53.608 53.050 -0.030 0.000 0.739 159 N CB -1.121 37.350 38.487 -0.026 0.000 1.113 159 N HN 0.412 nan 8.380 nan 0.000 0.561 160 L N 0.560 121.783 121.223 -0.001 0.000 2.446 160 L HA 0.025 4.365 4.340 -0.001 0.000 0.219 160 L C 2.496 179.406 176.870 0.067 0.000 1.116 160 L CA 0.292 55.150 54.840 0.029 0.000 0.844 160 L CB -0.175 41.914 42.059 0.050 0.000 0.970 160 L HN 0.186 nan 8.230 nan 0.000 0.457 161 R N 0.464 121.008 120.500 0.074 0.000 2.293 161 R HA -0.179 4.161 4.340 -0.001 0.000 0.219 161 R C 0.571 177.005 176.300 0.223 0.000 1.091 161 R CA 1.421 57.616 56.100 0.158 0.000 1.004 161 R CB -0.221 30.133 30.300 0.090 0.000 0.865 161 R HN 0.298 nan 8.270 nan 0.000 0.469 162 D N 0.239 120.708 120.400 0.115 0.000 2.348 162 D HA 0.019 4.658 4.640 -0.001 0.000 0.211 162 D C 1.019 177.325 176.300 0.010 0.000 0.998 162 D CA 0.853 54.899 54.000 0.077 0.000 0.873 162 D CB 0.389 41.212 40.800 0.040 0.000 0.925 162 D HN 0.300 nan 8.370 nan 0.000 0.524 163 K N -1.114 119.289 120.400 0.005 0.000 2.424 163 K HA 0.323 4.643 4.320 -0.001 0.000 0.198 163 K C 0.145 176.696 176.600 -0.083 0.000 1.190 163 K CA 0.268 56.524 56.287 -0.051 0.000 0.935 163 K CB 1.439 33.918 32.500 -0.034 0.000 1.087 163 K HN -0.076 nan 8.250 nan 0.000 0.524 164 L N 0.376 121.595 121.223 -0.006 0.000 2.422 164 L HA 0.476 4.816 4.340 -0.001 0.000 0.264 164 L C -1.424 175.586 176.870 0.232 0.000 0.984 164 L CA -1.011 53.833 54.840 0.007 0.000 0.819 164 L CB 1.710 43.769 42.059 0.001 0.000 1.330 164 L HN -0.053 nan 8.230 nan 0.000 0.410 165 W N 2.022 123.255 121.300 -0.111 0.000 2.719 165 W HA 0.638 5.298 4.660 -0.001 0.000 0.352 165 W C -0.167 176.294 176.519 -0.096 0.000 1.085 165 W CA -0.856 56.433 57.345 -0.093 0.000 1.187 165 W CB 1.199 30.589 29.460 -0.117 0.000 1.417 165 W HN 0.189 nan 8.180 nan 0.000 0.557 166 L N 1.535 122.836 121.223 0.129 0.000 2.488 166 L HA 0.382 4.721 4.340 -0.001 0.000 0.249 166 L C -0.121 176.776 176.870 0.045 0.000 1.151 166 L CA -0.306 54.576 54.840 0.071 0.000 0.806 166 L CB 0.843 42.947 42.059 0.075 0.000 1.261 166 L HN 0.250 nan 8.230 nan 0.000 0.484 167 D N 0.535 120.964 120.400 0.048 0.000 2.575 167 D HA 0.386 5.026 4.640 -0.001 0.000 0.250 167 D C -1.261 174.994 176.300 -0.075 0.000 1.279 167 D CA -0.163 53.861 54.000 0.039 0.000 0.925 167 D CB 2.038 42.924 40.800 0.143 0.000 1.261 167 D HN 0.218 nan 8.370 nan 0.000 0.567 168 V N 1.765 121.579 119.914 -0.167 0.000 2.667 168 V HA 0.683 4.803 4.120 -0.001 0.000 0.308 168 V C -2.461 173.403 176.094 -0.383 0.000 1.048 168 V CA -1.921 60.100 62.300 -0.465 0.000 0.928 168 V CB 1.447 33.047 31.823 -0.371 0.000 1.004 168 V HN 0.308 nan 8.190 nan 0.000 0.444 169 P HA 0.180 nan 4.420 nan 0.000 0.321 169 P C 0.287 177.530 177.300 -0.095 0.000 1.338 169 P CA 0.066 62.975 63.100 -0.319 0.000 0.764 169 P CB 0.434 32.008 31.700 -0.211 0.000 1.641 170 D N -1.547 118.878 120.400 0.042 0.000 2.224 170 D HA 0.043 4.683 4.640 -0.001 0.000 0.205 170 D C 0.608 176.848 176.300 -0.099 0.000 0.965 170 D CA 1.113 55.150 54.000 0.063 0.000 0.852 170 D CB -0.129 40.746 40.800 0.125 0.000 0.947 170 D HN 0.167 nan 8.370 nan 0.000 0.494 171 L N -2.266 118.868 121.223 -0.148 0.000 2.283 171 L HA 0.595 4.934 4.340 -0.001 0.000 0.259 171 L C 1.402 178.110 176.870 -0.269 0.000 1.027 171 L CA -0.950 53.730 54.840 -0.268 0.000 0.828 171 L CB 2.006 43.982 42.059 -0.138 0.000 1.380 171 L HN -0.299 nan 8.230 nan 0.000 0.425 172 G N -0.800 107.724 108.800 -0.459 0.000 2.921 172 G HA2 0.118 4.078 3.960 -0.001 0.000 0.213 172 G HA3 0.118 4.078 3.960 -0.001 0.000 0.213 172 G C 1.068 176.161 174.900 0.323 0.000 1.143 172 G CA 0.579 45.583 45.100 -0.161 0.000 0.764 172 G HN 0.824 nan 8.290 nan 0.000 0.542 173 G N 0.537 109.642 108.800 0.508 0.000 2.712 173 G HA2 0.336 4.295 3.960 -0.001 0.000 0.212 173 G HA3 0.336 4.295 3.960 -0.001 0.000 0.212 173 G C 0.920 176.016 174.900 0.328 0.000 1.142 173 G CA 0.476 45.873 45.100 0.495 0.000 0.789 173 G HN 0.551 nan 8.290 nan 0.000 0.535 174 G N 0.168 109.217 108.800 0.415 0.000 2.483 174 G HA2 0.359 4.318 3.960 -0.001 0.000 0.248 174 G HA3 0.359 4.318 3.960 -0.001 0.000 0.248 174 G C 0.221 175.260 174.900 0.231 0.000 1.248 174 G CA 0.070 45.390 45.100 0.366 0.000 0.838 174 G HN 0.196 nan 8.290 nan 0.000 0.566 175 S N 0.449 116.200 115.700 0.085 0.000 2.549 175 S HA 0.012 4.481 4.470 -0.001 0.000 0.286 175 S C 1.656 176.074 174.600 -0.304 0.000 1.314 175 S CA -0.657 57.490 58.200 -0.088 0.000 1.062 175 S CB 0.860 64.038 63.200 -0.036 0.000 0.865 175 S HN 0.381 nan 8.310 nan 0.000 0.498 176 V N 5.757 125.343 119.914 -0.548 0.000 2.295 176 V HA -0.156 3.963 4.120 -0.001 0.000 0.246 176 V C 2.201 178.139 176.094 -0.261 0.000 1.049 176 V CA 2.182 64.072 62.300 -0.684 0.000 1.024 176 V CB -0.842 30.646 31.823 -0.559 0.000 0.648 176 V HN 0.917 nan 8.190 nan 0.000 0.447 177 L N 0.929 122.051 121.223 -0.167 0.000 2.162 177 L HA 0.291 4.630 4.340 -0.001 0.000 0.205 177 L C 2.228 179.086 176.870 -0.019 0.000 1.086 177 L CA 2.273 57.068 54.840 -0.074 0.000 0.778 177 L CB -1.720 40.291 42.059 -0.080 0.000 0.928 177 L HN 0.133 nan 8.230 nan 0.000 0.446 178 G N 0.429 109.209 108.800 -0.032 0.000 2.480 178 G HA2 -0.383 3.577 3.960 -0.001 0.000 0.216 178 G HA3 -0.383 3.577 3.960 -0.001 0.000 0.216 178 G C 1.574 176.502 174.900 0.046 0.000 1.200 178 G CA 0.903 45.999 45.100 -0.006 0.000 0.782 178 G HN 0.591 nan 8.290 nan 0.000 0.554 179 N N 1.380 120.148 118.700 0.113 0.000 2.094 179 N HA -0.162 4.577 4.740 -0.001 0.000 0.191 179 N C 2.481 178.117 175.510 0.211 0.000 1.023 179 N CA 1.630 54.804 53.050 0.207 0.000 0.857 179 N CB -0.238 38.486 38.487 0.396 0.000 1.013 179 N HN 0.265 nan 8.380 nan 0.000 0.426 180 A N 1.013 123.959 122.820 0.210 0.000 1.902 180 A HA -0.098 4.222 4.320 -0.001 0.000 0.217 180 A C 2.395 180.166 177.584 0.311 0.000 1.181 180 A CA 1.866 54.077 52.037 0.289 0.000 0.623 180 A CB -0.973 18.152 19.000 0.209 0.000 0.818 180 A HN 0.328 nan 8.150 nan 0.000 0.443 181 V N -2.872 117.133 119.914 0.153 0.000 3.078 181 V HA -0.040 4.080 4.120 -0.001 0.000 0.265 181 V C 1.415 177.391 176.094 -0.197 0.000 1.122 181 V CA 2.017 64.281 62.300 -0.059 0.000 1.141 181 V CB -0.575 31.208 31.823 -0.066 0.000 0.735 181 V HN 0.393 nan 8.190 nan 0.000 0.498 182 E N 0.710 120.856 120.200 -0.091 0.000 2.489 182 E HA 0.144 4.494 4.350 -0.001 0.000 0.193 182 E C 0.884 177.407 176.600 -0.129 0.000 1.057 182 E CA 0.026 56.338 56.400 -0.145 0.000 0.866 182 E CB -0.075 29.571 29.700 -0.090 0.000 0.916 182 E HN 0.701 nan 8.360 nan 0.000 0.500 183 R N -0.761 119.713 120.500 -0.043 0.000 3.758 183 R HA -0.164 4.176 4.340 -0.001 0.000 0.299 183 R C 0.834 177.253 176.300 0.199 0.000 1.182 183 R CA 0.522 56.672 56.100 0.084 0.000 0.809 183 R CB -2.465 27.815 30.300 -0.032 0.000 1.249 183 R HN 0.174 nan 8.270 nan 0.000 0.497 184 G N 0.155 109.051 108.800 0.159 0.000 2.712 184 G HA2 0.358 4.318 3.960 -0.001 0.000 0.258 184 G HA3 0.358 4.318 3.960 -0.001 0.000 0.258 184 G C -0.008 174.791 174.900 -0.169 0.000 1.241 184 G CA -0.196 44.970 45.100 0.110 0.000 0.923 184 G HN 0.043 nan 8.290 nan 0.000 0.548 185 V N -0.158 119.529 119.914 -0.378 0.000 2.709 185 V HA 0.765 4.885 4.120 -0.001 0.000 0.308 185 V C 0.725 176.250 176.094 -0.949 0.000 1.062 185 V CA 0.049 61.945 62.300 -0.673 0.000 0.901 185 V CB 1.417 32.899 31.823 -0.568 0.000 1.003 185 V HN 1.164 nan 8.190 nan 0.000 0.425 186 G N 1.623 109.784 108.800 -1.064 0.000 3.175 186 G HA2 0.581 4.541 3.960 -0.001 0.000 0.255 186 G HA3 0.581 4.541 3.960 -0.001 0.000 0.255 186 G C -1.014 173.398 174.900 -0.813 0.000 1.352 186 G CA -0.229 44.267 45.100 -1.008 0.000 1.037 186 G HN 0.524 nan 8.290 nan 0.000 0.556 187 Y N -0.446 119.862 120.300 0.013 0.000 2.626 187 Y HA 0.296 4.845 4.550 -0.001 0.000 0.248 187 Y C 1.593 177.552 175.900 0.099 0.000 1.147 187 Y CA -0.369 57.746 58.100 0.026 0.000 1.219 187 Y CB 0.108 38.562 38.460 -0.009 0.000 1.279 187 Y HN 0.600 nan 8.280 nan 0.000 0.541 188 T N -3.109 111.560 114.554 0.192 0.000 2.893 188 T HA 0.297 4.646 4.350 -0.001 0.000 0.279 188 T C -1.846 172.886 174.700 0.052 0.000 0.991 188 T CA -2.197 59.976 62.100 0.121 0.000 0.950 188 T CB 1.503 70.424 68.868 0.089 0.000 1.223 188 T HN -0.294 nan 8.240 nan 0.000 0.585 189 P HA -0.038 nan 4.420 nan 0.000 0.222 189 P C 0.019 177.438 177.300 0.198 0.000 1.142 189 P CA 1.061 64.186 63.100 0.043 0.000 0.788 189 P CB -0.182 31.516 31.700 -0.004 0.000 0.767 190 Y N -1.703 118.602 120.300 0.009 0.000 2.708 190 Y HA 0.374 4.923 4.550 -0.001 0.000 0.287 190 Y C 2.101 178.081 175.900 0.134 0.000 1.145 190 Y CA -0.609 57.542 58.100 0.084 0.000 1.249 190 Y CB -0.812 37.709 38.460 0.101 0.000 1.152 190 Y HN -0.088 nan 8.280 nan 0.000 0.532 191 G N -0.761 108.149 108.800 0.182 0.000 2.559 191 G HA2 -0.192 3.768 3.960 -0.001 0.000 0.216 191 G HA3 -0.192 3.768 3.960 -0.001 0.000 0.216 191 G C 0.530 175.403 174.900 -0.045 0.000 1.126 191 G CA 0.345 45.480 45.100 0.059 0.000 0.778 191 G HN 0.200 nan 8.290 nan 0.000 0.543 192 D N -0.104 120.322 120.400 0.043 0.000 2.522 192 D HA 0.143 4.782 4.640 -0.001 0.000 0.218 192 D C 1.100 177.502 176.300 0.169 0.000 1.149 192 D CA -0.372 53.649 54.000 0.035 0.000 0.981 192 D CB -0.256 40.569 40.800 0.042 0.000 1.041 192 D HN 0.456 nan 8.370 nan 0.000 0.518 193 H N 1.715 120.828 119.070 0.072 0.000 2.352 193 H HA -0.158 4.398 4.556 -0.001 0.000 0.299 193 H C 1.735 177.134 175.328 0.117 0.000 1.097 193 H CA 0.728 56.837 56.048 0.103 0.000 1.311 193 H CB 0.295 30.136 29.762 0.133 0.000 1.377 193 H HN 0.572 nan 8.280 nan 0.000 0.504 194 W N 1.284 122.660 121.300 0.126 0.000 2.388 194 W HA -0.195 4.465 4.660 -0.001 0.000 0.294 194 W C 1.677 178.254 176.519 0.096 0.000 1.212 194 W CA 0.677 58.052 57.345 0.051 0.000 1.271 194 W CB -0.085 29.384 29.460 0.014 0.000 1.126 194 W HN 0.188 nan 8.180 nan 0.000 0.535 195 M N 0.445 120.049 119.600 0.007 0.000 2.460 195 M HA -0.150 4.329 4.480 -0.001 0.000 0.263 195 M C 1.501 177.606 176.300 -0.324 0.000 1.071 195 M CA 1.331 56.568 55.300 -0.104 0.000 1.096 195 M CB -0.433 32.184 32.600 0.029 0.000 1.408 195 M HN -0.194 nan 8.290 nan 0.000 0.463 196 M N -1.143 118.268 119.600 -0.315 0.000 2.431 196 M HA 0.134 4.614 4.480 -0.001 0.000 0.237 196 M C 0.115 175.851 176.300 -0.940 0.000 1.130 196 M CA 0.126 55.161 55.300 -0.441 0.000 1.002 196 M CB -1.681 30.916 32.600 -0.005 0.000 1.524 196 M HN 0.306 nan 8.290 nan 0.000 0.482 197 H N -1.465 117.004 119.070 -1.001 0.000 2.505 197 H HA 0.613 5.169 4.556 -0.001 0.000 0.351 197 H C -0.692 173.999 175.328 -1.061 0.000 1.151 197 H CA -0.527 54.951 56.048 -0.950 0.000 1.339 197 H CB 1.240 30.459 29.762 -0.904 0.000 1.483 197 H HN 0.003 nan 8.280 nan 0.000 0.558 198 S N 2.374 117.496 115.700 -0.963 0.000 2.584 198 S HA 0.481 4.951 4.470 -0.001 0.000 0.280 198 S C -0.587 173.863 174.600 -0.249 0.000 1.162 198 S CA -0.044 57.732 58.200 -0.706 0.000 0.951 198 S CB 0.202 63.110 63.200 -0.488 0.000 1.108 198 S HN 1.816 nan 8.310 nan 0.000 0.464 199 G N 4.959 113.705 108.800 -0.090 0.000 2.788 199 G HA2 -0.159 3.800 3.960 -0.001 0.000 0.249 199 G HA3 -0.159 3.800 3.960 -0.001 0.000 0.249 199 G C -0.454 174.508 174.900 0.103 0.000 1.008 199 G CA 0.080 45.223 45.100 0.072 0.000 1.220 199 G HN 0.758 nan 8.290 nan 0.000 0.506 200 M N 0.770 120.515 119.600 0.243 0.000 2.367 200 M HA 0.513 4.993 4.480 -0.001 0.000 0.339 200 M C 0.426 176.925 176.300 0.332 0.000 1.177 200 M CA -0.463 54.962 55.300 0.208 0.000 1.068 200 M CB 1.825 34.489 32.600 0.107 0.000 1.602 200 M HN 0.496 nan 8.290 nan 0.000 0.457 201 E N 1.673 122.035 120.200 0.272 0.000 2.179 201 E HA 0.629 4.979 4.350 -0.001 0.000 0.275 201 E C -1.832 174.731 176.600 -0.063 0.000 0.945 201 E CA -0.647 55.833 56.400 0.132 0.000 0.792 201 E CB 1.730 31.546 29.700 0.193 0.000 1.125 201 E HN 0.486 nan 8.360 nan 0.000 0.397 202 V N 4.083 123.899 119.914 -0.164 0.000 2.808 202 V HA 0.244 4.364 4.120 -0.001 0.000 0.308 202 V C -0.609 175.368 176.094 -0.195 0.000 1.099 202 V CA -0.915 61.217 62.300 -0.281 0.000 0.920 202 V CB 2.114 33.538 31.823 -0.664 0.000 1.014 202 V HN 0.516 nan 8.190 nan 0.000 0.425 203 V N 5.830 125.651 119.914 -0.154 0.000 2.406 203 V HA 0.389 4.509 4.120 -0.001 0.000 0.272 203 V C 0.263 176.305 176.094 -0.087 0.000 1.043 203 V CA -0.279 61.960 62.300 -0.102 0.000 0.915 203 V CB 1.156 32.933 31.823 -0.077 0.000 0.988 203 V HN 0.611 nan 8.190 nan 0.000 0.466 204 L N 3.581 124.772 121.223 -0.052 0.000 2.475 204 L HA 0.350 4.690 4.340 -0.001 0.000 0.253 204 L C 1.897 178.767 176.870 -0.001 0.000 1.198 204 L CA 0.023 54.859 54.840 -0.006 0.000 0.814 204 L CB 0.433 42.504 42.059 0.020 0.000 1.134 204 L HN 0.721 nan 8.230 nan 0.000 0.478 205 A N 1.290 124.119 122.820 0.015 0.000 1.978 205 A HA -0.199 4.121 4.320 -0.001 0.000 0.220 205 A C 1.724 179.318 177.584 0.018 0.000 1.170 205 A CA 1.951 53.995 52.037 0.012 0.000 0.636 205 A CB -0.781 18.226 19.000 0.012 0.000 0.810 205 A HN 0.940 nan 8.150 nan 0.000 0.448 206 N N -1.381 117.329 118.700 0.016 0.000 2.467 206 N HA 0.221 4.960 4.740 -0.001 0.000 0.184 206 N C 1.053 176.569 175.510 0.009 0.000 1.106 206 N CA 1.532 54.592 53.050 0.015 0.000 0.892 206 N CB -0.185 38.310 38.487 0.014 0.000 0.969 206 N HN 0.795 nan 8.380 nan 0.000 0.454 207 G N -0.644 108.156 108.800 0.001 0.000 2.238 207 G HA2 -0.241 3.718 3.960 -0.001 0.000 0.217 207 G HA3 -0.241 3.718 3.960 -0.001 0.000 0.217 207 G C -0.392 174.497 174.900 -0.018 0.000 0.996 207 G CA -0.049 45.047 45.100 -0.008 0.000 0.632 207 G HN 0.470 nan 8.290 nan 0.000 0.503 208 E N 0.206 120.397 120.200 -0.016 0.000 2.366 208 E HA 0.593 4.942 4.350 -0.001 0.000 0.266 208 E C 0.206 176.784 176.600 -0.038 0.000 1.051 208 E CA -0.400 55.986 56.400 -0.023 0.000 0.884 208 E CB 1.378 31.070 29.700 -0.013 0.000 1.006 208 E HN 0.284 nan 8.360 nan 0.000 0.417 209 L N 3.413 124.606 121.223 -0.049 0.000 2.312 209 L HA 0.415 4.755 4.340 -0.001 0.000 0.281 209 L C -0.708 176.120 176.870 -0.070 0.000 1.070 209 L CA -0.452 54.346 54.840 -0.070 0.000 0.805 209 L CB 0.702 42.714 42.059 -0.079 0.000 1.174 209 L HN 0.387 nan 8.230 nan 0.000 0.434 210 L N 4.618 125.790 121.223 -0.085 0.000 2.410 210 L HA 0.584 4.924 4.340 -0.001 0.000 0.270 210 L C -0.940 175.880 176.870 -0.083 0.000 0.983 210 L CA -0.492 54.308 54.840 -0.068 0.000 0.822 210 L CB 1.348 43.387 42.059 -0.033 0.000 1.285 210 L HN 0.544 nan 8.230 nan 0.000 0.409 211 R N 2.256 122.712 120.500 -0.074 0.000 2.604 211 R HA 0.617 4.957 4.340 -0.001 0.000 0.287 211 R C -0.580 175.774 176.300 0.090 0.000 0.970 211 R CA -0.558 55.537 56.100 -0.008 0.000 0.946 211 R CB 1.460 31.649 30.300 -0.186 0.000 1.127 211 R HN 0.729 nan 8.270 nan 0.000 0.473 212 T N -2.241 112.427 114.554 0.190 0.000 2.948 212 T HA 0.628 4.978 4.350 -0.001 0.000 0.285 212 T C 0.889 175.728 174.700 0.231 0.000 1.019 212 T CA 0.133 62.362 62.100 0.214 0.000 1.013 212 T CB 1.802 70.819 68.868 0.248 0.000 1.117 212 T HN 0.839 nan 8.240 nan 0.000 0.533 213 G N 1.455 110.399 108.800 0.239 0.000 2.583 213 G HA2 -0.264 3.696 3.960 -0.001 0.000 0.292 213 G HA3 -0.264 3.696 3.960 -0.001 0.000 0.292 213 G C 0.828 175.838 174.900 0.184 0.000 1.203 213 G CA 0.318 45.541 45.100 0.205 0.000 0.987 213 G HN 0.795 nan 8.290 nan 0.000 0.554 214 M N 2.361 122.056 119.600 0.159 0.000 2.618 214 M HA 0.127 4.607 4.480 -0.001 0.000 0.240 214 M C 2.565 178.954 176.300 0.150 0.000 1.123 214 M CA 1.404 56.798 55.300 0.156 0.000 1.060 214 M CB -0.995 31.698 32.600 0.155 0.000 1.535 214 M HN 0.739 nan 8.290 nan 0.000 0.507 215 G N 0.532 109.461 108.800 0.214 0.000 2.470 215 G HA2 -0.075 3.885 3.960 -0.001 0.000 0.220 215 G HA3 -0.075 3.885 3.960 -0.001 0.000 0.220 215 G C 1.537 176.464 174.900 0.046 0.000 1.121 215 G CA 0.981 46.235 45.100 0.256 0.000 0.766 215 G HN 0.546 nan 8.290 nan 0.000 0.553 216 A N -0.406 122.462 122.820 0.079 0.000 2.123 216 A HA 0.346 4.666 4.320 -0.001 0.000 0.214 216 A C 1.128 178.727 177.584 0.025 0.000 1.152 216 A CA 0.030 52.092 52.037 0.043 0.000 0.728 216 A CB -0.034 19.019 19.000 0.088 0.000 0.814 216 A HN 0.311 nan 8.150 nan 0.000 0.464 217 L N 2.499 123.747 121.223 0.042 0.000 2.385 217 L HA 0.281 4.620 4.340 -0.001 0.000 0.281 217 L C -2.392 174.477 176.870 -0.003 0.000 1.106 217 L CA -2.004 52.850 54.840 0.024 0.000 0.856 217 L CB 0.513 42.598 42.059 0.044 0.000 1.186 217 L HN 0.066 nan 8.230 nan 0.000 0.453 218 P HA 0.044 nan 4.420 nan 0.000 0.271 218 P C -0.727 176.562 177.300 -0.019 0.000 1.216 218 P CA -0.377 62.699 63.100 -0.040 0.000 0.776 218 P CB 0.787 32.463 31.700 -0.040 0.000 0.881 219 D N 3.356 123.744 120.400 -0.020 0.000 2.390 219 D HA 0.178 4.817 4.640 -0.001 0.000 0.249 219 D C -1.916 174.382 176.300 -0.003 0.000 1.144 219 D CA -1.449 52.554 54.000 0.005 0.000 0.880 219 D CB -0.378 40.435 40.800 0.022 0.000 1.182 219 D HN 0.167 nan 8.370 nan 0.000 0.451 220 P HA 0.043 nan 4.420 nan 0.000 0.267 220 P C -0.643 176.656 177.300 -0.002 0.000 1.200 220 P CA -0.054 63.044 63.100 -0.002 0.000 0.772 220 P CB 0.312 32.013 31.700 0.001 0.000 0.855 221 K N 3.250 123.647 120.400 -0.006 0.000 2.489 221 K HA 0.148 4.467 4.320 -0.001 0.000 0.278 221 K C 0.690 177.290 176.600 -0.001 0.000 1.000 221 K CA 0.178 56.461 56.287 -0.006 0.000 1.012 221 K CB 0.214 32.709 32.500 -0.008 0.000 0.903 221 K HN 0.560 nan 8.250 nan 0.000 0.485 222 R N 1.645 122.146 120.500 0.001 0.000 2.739 222 R HA 0.261 4.601 4.340 -0.001 0.000 0.271 222 R C -2.730 173.571 176.300 0.002 0.000 1.010 222 R CA -1.946 54.156 56.100 0.003 0.000 0.897 222 R CB 0.793 31.097 30.300 0.008 0.000 1.236 222 R HN 0.148 nan 8.270 nan 0.000 0.466 223 P HA -0.186 nan 4.420 nan 0.000 0.216 223 P C 0.353 177.654 177.300 0.003 0.000 1.153 223 P CA 1.433 64.534 63.100 0.002 0.000 0.858 223 P CB 0.208 31.910 31.700 0.002 0.000 0.789 224 E N -1.090 119.114 120.200 0.006 0.000 2.160 224 E HA -0.127 4.223 4.350 -0.001 0.000 0.195 224 E C 1.647 178.252 176.600 0.008 0.000 0.991 224 E CA 1.838 58.243 56.400 0.009 0.000 0.810 224 E CB -1.314 28.394 29.700 0.014 0.000 0.742 224 E HN 0.414 nan 8.360 nan 0.000 0.466 225 T N -2.139 112.419 114.554 0.006 0.000 3.105 225 T HA 0.224 4.574 4.350 -0.001 0.000 0.253 225 T C 0.563 175.260 174.700 -0.006 0.000 1.047 225 T CA -0.347 61.755 62.100 0.002 0.000 0.944 225 T CB 0.052 68.922 68.868 0.004 0.000 1.016 225 T HN -0.147 nan 8.240 nan 0.000 0.544 226 M N 1.946 121.543 119.600 -0.005 0.000 2.219 226 M HA 0.381 4.861 4.480 -0.001 0.000 0.353 226 M C 1.685 177.979 176.300 -0.010 0.000 1.304 226 M CA 0.712 56.007 55.300 -0.009 0.000 1.115 226 M CB -0.333 32.263 32.600 -0.007 0.000 1.664 226 M HN 0.567 nan 8.290 nan 0.000 0.459 227 G N 2.980 111.771 108.800 -0.014 0.000 2.155 227 G HA2 -0.243 3.717 3.960 -0.001 0.000 0.257 227 G HA3 -0.243 3.717 3.960 -0.001 0.000 0.257 227 G C 0.102 174.992 174.900 -0.017 0.000 0.983 227 G CA -0.134 44.957 45.100 -0.015 0.000 0.676 227 G HN 0.619 nan 8.290 nan 0.000 0.528 228 L N 0.625 121.837 121.223 -0.018 0.000 2.410 228 L HA 0.210 4.550 4.340 -0.001 0.000 0.273 228 L C 1.272 178.125 176.870 -0.029 0.000 1.152 228 L CA -0.286 54.542 54.840 -0.020 0.000 0.855 228 L CB 0.544 42.592 42.059 -0.019 0.000 1.129 228 L HN 0.096 nan 8.230 nan 0.000 0.463 229 K N 4.539 124.922 120.400 -0.028 0.000 2.524 229 K HA -0.034 4.286 4.320 -0.001 0.000 0.279 229 K C -1.525 175.045 176.600 -0.051 0.000 0.993 229 K CA -1.148 55.118 56.287 -0.036 0.000 1.030 229 K CB 0.473 32.955 32.500 -0.031 0.000 0.891 229 K HN 0.327 nan 8.250 nan 0.000 0.488 230 P HA -0.249 nan 4.420 nan 0.000 0.216 230 P C 0.483 177.715 177.300 -0.113 0.000 1.154 230 P CA 1.576 64.620 63.100 -0.093 0.000 0.865 230 P CB 0.150 31.797 31.700 -0.088 0.000 0.789 231 E N -0.580 119.570 120.200 -0.083 0.000 2.114 231 E HA -0.219 4.131 4.350 -0.001 0.000 0.199 231 E C 1.249 177.821 176.600 -0.047 0.000 1.008 231 E CA 1.475 57.835 56.400 -0.065 0.000 0.810 231 E CB -0.714 28.961 29.700 -0.041 0.000 0.739 231 E HN 0.346 nan 8.360 nan 0.000 0.456 232 D N 0.149 120.526 120.400 -0.039 0.000 2.339 232 D HA 0.025 4.665 4.640 -0.001 0.000 0.217 232 D C 0.084 176.375 176.300 -0.015 0.000 1.050 232 D CA 0.224 54.218 54.000 -0.011 0.000 0.856 232 D CB 0.150 40.947 40.800 -0.006 0.000 0.922 232 D HN 0.208 nan 8.370 nan 0.000 0.518 233 Q N 1.702 121.463 119.800 -0.066 0.000 2.373 233 Q HA 0.176 4.515 4.340 -0.001 0.000 0.255 233 Q C -2.037 173.915 176.000 -0.080 0.000 0.980 233 Q CA -1.270 54.484 55.803 -0.081 0.000 0.882 233 Q CB 0.894 29.552 28.738 -0.133 0.000 1.249 233 Q HN 0.077 nan 8.270 nan 0.000 0.438 234 P HA 0.045 nan 4.420 nan 0.000 0.274 234 P C -1.265 176.059 177.300 0.040 0.000 1.256 234 P CA -0.178 62.988 63.100 0.111 0.000 0.795 234 P CB 0.529 32.298 31.700 0.114 0.000 1.038 235 W N 0.061 121.387 121.300 0.043 0.000 2.448 235 W HA 0.356 5.015 4.660 -0.001 0.000 0.339 235 W C 0.760 177.264 176.519 -0.025 0.000 1.124 235 W CA -0.162 57.174 57.345 -0.016 0.000 1.262 235 W CB 0.357 29.764 29.460 -0.088 0.000 1.251 235 W HN 0.280 nan 8.180 nan 0.000 0.597 236 S N 1.548 117.343 115.700 0.158 0.000 2.585 236 S HA 0.134 4.604 4.470 -0.001 0.000 0.273 236 S C 1.172 175.823 174.600 0.086 0.000 1.339 236 S CA -0.487 57.770 58.200 0.094 0.000 1.028 236 S CB 1.049 64.282 63.200 0.054 0.000 0.906 236 S HN 0.635 nan 8.310 nan 0.000 0.528 237 K N 1.526 121.969 120.400 0.073 0.000 2.071 237 K HA -0.224 4.096 4.320 -0.001 0.000 0.217 237 K C 1.427 178.048 176.600 0.034 0.000 1.054 237 K CA 1.920 58.249 56.287 0.070 0.000 0.937 237 K CB -0.886 31.650 32.500 0.059 0.000 0.719 237 K HN 0.659 nan 8.250 nan 0.000 0.454 238 I N 1.263 121.846 120.570 0.022 0.000 3.291 238 I HA -0.001 4.169 4.170 -0.001 0.000 0.279 238 I C 2.566 178.673 176.117 -0.016 0.000 1.294 238 I CA 0.681 61.992 61.300 0.018 0.000 1.428 238 I CB -1.452 36.576 38.000 0.046 0.000 1.070 238 I HN 0.244 nan 8.210 nan 0.000 0.478 239 A N 1.668 124.431 122.820 -0.094 0.000 1.869 239 A HA -0.242 4.077 4.320 -0.001 0.000 0.218 239 A C 1.714 179.088 177.584 -0.350 0.000 1.203 239 A CA 1.929 53.845 52.037 -0.202 0.000 0.638 239 A CB -1.306 17.537 19.000 -0.262 0.000 0.831 239 A HN 0.616 nan 8.150 nan 0.000 0.450 240 H N -1.293 117.593 119.070 -0.307 0.000 2.568 240 H HA 0.490 5.046 4.556 -0.001 0.000 0.302 240 H C 0.880 176.036 175.328 -0.288 0.000 1.065 240 H CA -0.076 55.660 56.048 -0.521 0.000 1.140 240 H CB 0.088 29.183 29.762 -1.111 0.000 1.474 240 H HN 0.380 nan 8.280 nan 0.000 0.545 241 L N -1.015 120.208 121.223 0.000 0.000 2.685 241 L HA 0.224 4.564 4.340 -0.001 0.000 0.235 241 L C -0.393 176.616 176.870 0.233 0.000 1.070 241 L CA -0.016 54.880 54.840 0.093 0.000 0.888 241 L CB 0.833 42.897 42.059 0.009 0.000 1.203 241 L HN 0.142 nan 8.230 nan 0.000 0.499 242 F N 1.254 121.214 119.950 0.016 0.000 2.579 242 F HA 0.467 4.993 4.527 -0.001 0.000 0.325 242 F C -2.385 173.354 175.800 -0.102 0.000 1.162 242 F CA -2.455 55.514 58.000 -0.051 0.000 0.946 242 F CB 1.848 40.808 39.000 -0.067 0.000 1.211 242 F HN -0.247 nan 8.300 nan 0.000 0.447 243 P HA -0.120 nan 4.420 nan 0.000 0.217 243 P C 1.118 178.092 177.300 -0.544 0.000 1.151 243 P CA 1.361 64.106 63.100 -0.591 0.000 0.828 243 P CB 0.071 31.343 31.700 -0.712 0.000 0.788 244 Y N -0.043 119.562 120.300 -1.158 0.000 2.421 244 Y HA 0.073 4.622 4.550 -0.001 0.000 0.292 244 Y C 2.222 177.925 175.900 -0.328 0.000 1.136 244 Y CA 0.443 57.949 58.100 -0.991 0.000 1.255 244 Y CB -1.581 36.235 38.460 -1.073 0.000 0.991 244 Y HN -0.022 nan 8.280 nan 0.000 0.552 245 G N 0.726 109.526 108.800 0.000 0.000 2.684 245 G HA2 -0.369 3.590 3.960 -0.001 0.000 0.332 245 G HA3 -0.369 3.590 3.960 -0.001 0.000 0.332 245 G C -0.254 174.882 174.900 0.394 0.000 1.306 245 G CA 0.875 46.145 45.100 0.284 0.000 1.002 245 G HN 0.419 nan 8.290 nan 0.000 0.545 246 F N 0.531 120.582 119.950 0.168 0.000 2.588 246 F HA 0.605 5.132 4.527 -0.001 0.000 0.310 246 F C 0.629 176.493 175.800 0.108 0.000 1.082 246 F CA 1.256 59.337 58.000 0.135 0.000 0.929 246 F CB 1.528 40.596 39.000 0.114 0.000 1.254 246 F HN 2.252 nan 8.300 nan 0.000 0.455 247 G N 3.708 111.982 108.800 -0.878 0.000 2.660 247 G HA2 -0.092 3.868 3.960 -0.001 0.000 0.215 247 G HA3 -0.092 3.868 3.960 -0.001 0.000 0.215 247 G C -2.878 171.902 174.900 -0.201 0.000 1.345 247 G CA -0.747 43.995 45.100 -0.597 0.000 0.877 247 G HN 0.688 nan 8.290 nan 0.000 0.549 248 P HA 0.348 nan 4.420 nan 0.000 0.266 248 P C -0.778 176.594 177.300 0.121 0.000 1.195 248 P CA 0.042 63.148 63.100 0.009 0.000 0.768 248 P CB 0.269 31.980 31.700 0.018 0.000 0.838 249 Y N 3.950 124.239 120.300 -0.019 0.000 2.880 249 Y HA 0.284 4.834 4.550 -0.001 0.000 0.329 249 Y C 1.022 176.968 175.900 0.077 0.000 1.156 249 Y CA -1.147 56.973 58.100 0.034 0.000 1.348 249 Y CB -0.568 37.893 38.460 0.003 0.000 1.280 249 Y HN 0.300 nan 8.280 nan 0.000 0.516 250 I N -0.963 119.601 120.570 -0.012 0.000 3.564 250 I HA 0.056 4.226 4.170 -0.001 0.000 0.294 250 I C 1.087 177.131 176.117 -0.121 0.000 1.289 250 I CA 0.630 61.882 61.300 -0.081 0.000 1.325 250 I CB 0.035 38.043 38.000 0.013 0.000 1.039 250 I HN 0.187 nan 8.210 nan 0.000 0.474 251 D N 2.634 122.907 120.400 -0.211 0.000 2.133 251 D HA -0.164 4.476 4.640 -0.001 0.000 0.195 251 D C 2.314 178.735 176.300 0.201 0.000 0.997 251 D CA 1.943 55.987 54.000 0.074 0.000 0.840 251 D CB -0.456 40.338 40.800 -0.010 0.000 0.947 251 D HN 0.549 nan 8.370 nan 0.000 0.452 252 G N -0.267 108.524 108.800 -0.016 0.000 2.679 252 G HA2 -0.092 3.867 3.960 -0.001 0.000 0.212 252 G HA3 -0.092 3.867 3.960 -0.001 0.000 0.212 252 G C 1.423 176.149 174.900 -0.290 0.000 1.137 252 G CA -0.094 44.953 45.100 -0.087 0.000 0.787 252 G HN 0.257 nan 8.290 nan 0.000 0.534 253 L N -0.651 120.337 121.223 -0.391 0.000 2.551 253 L HA 0.187 4.527 4.340 -0.001 0.000 0.228 253 L C 1.216 177.658 176.870 -0.714 0.000 1.153 253 L CA 0.309 54.789 54.840 -0.599 0.000 0.851 253 L CB -0.022 41.577 42.059 -0.768 0.000 0.959 253 L HN 0.157 nan 8.230 nan 0.000 0.451 254 F N -1.604 118.224 119.950 -0.204 0.000 2.661 254 F HA 0.159 4.685 4.527 -0.001 0.000 0.306 254 F C 1.106 176.692 175.800 -0.356 0.000 1.094 254 F CA -0.661 57.213 58.000 -0.209 0.000 1.254 254 F CB 0.058 39.006 39.000 -0.086 0.000 1.040 254 F HN -0.097 nan 8.300 nan 0.000 0.562 255 S N -0.059 115.365 115.700 -0.461 0.000 2.478 255 S HA 0.380 4.849 4.470 -0.001 0.000 0.312 255 S C -0.071 174.247 174.600 -0.470 0.000 1.094 255 S CA -0.525 57.276 58.200 -0.666 0.000 1.081 255 S CB 1.383 63.723 63.200 -1.433 0.000 1.007 255 S HN 0.336 nan 8.310 nan 0.000 0.475 256 Q N 0.660 120.237 119.800 -0.372 0.000 2.452 256 Q HA -0.182 4.158 4.340 -0.001 0.000 0.318 256 Q C -0.124 175.714 176.000 -0.269 0.000 1.386 256 Q CA 1.007 56.630 55.803 -0.301 0.000 0.872 256 Q CB -2.509 26.053 28.738 -0.294 0.000 1.151 256 Q HN 1.093 nan 8.270 nan 0.000 0.417 257 S N -0.705 114.836 115.700 -0.266 0.000 2.651 257 S HA 0.672 5.141 4.470 -0.001 0.000 0.279 257 S C -0.042 174.413 174.600 -0.243 0.000 1.148 257 S CA -0.476 57.575 58.200 -0.249 0.000 0.837 257 S CB 1.373 64.422 63.200 -0.251 0.000 1.138 257 S HN 0.315 nan 8.310 nan 0.000 0.478 258 N N 0.066 118.629 118.700 -0.227 0.000 2.275 258 N HA 0.230 4.970 4.740 -0.001 0.000 0.236 258 N C 0.663 176.095 175.510 -0.130 0.000 1.154 258 N CA -0.439 52.486 53.050 -0.208 0.000 0.866 258 N CB -0.010 38.338 38.487 -0.232 0.000 1.093 258 N HN 0.394 nan 8.380 nan 0.000 0.515 259 M N -0.194 119.347 119.600 -0.098 0.000 2.288 259 M HA 0.244 4.723 4.480 -0.001 0.000 0.266 259 M C 0.934 177.350 176.300 0.194 0.000 1.072 259 M CA 0.578 55.859 55.300 -0.031 0.000 1.132 259 M CB -0.718 31.732 32.600 -0.251 0.000 1.386 259 M HN 0.334 nan 8.290 nan 0.000 0.432 260 G N -0.399 108.555 108.800 0.256 0.000 2.708 260 G HA2 0.653 4.612 3.960 -0.001 0.000 0.289 260 G HA3 0.653 4.612 3.960 -0.001 0.000 0.289 260 G C -1.511 173.354 174.900 -0.058 0.000 1.416 260 G CA -0.694 44.472 45.100 0.110 0.000 0.829 260 G HN 0.123 nan 8.290 nan 0.000 0.480 261 I N 0.831 121.328 120.570 -0.121 0.000 2.355 261 I HA 0.329 4.498 4.170 -0.001 0.000 0.288 261 I C -0.195 175.825 176.117 -0.162 0.000 0.999 261 I CA -0.821 60.396 61.300 -0.139 0.000 1.163 261 I CB 1.960 39.889 38.000 -0.117 0.000 1.316 261 I HN 0.082 nan 8.210 nan 0.000 0.454 262 V N 5.171 124.995 119.914 -0.150 0.000 2.432 262 V HA 0.228 4.348 4.120 -0.001 0.000 0.275 262 V C 1.031 177.071 176.094 -0.091 0.000 1.043 262 V CA -0.107 62.112 62.300 -0.135 0.000 0.925 262 V CB 1.076 32.839 31.823 -0.100 0.000 0.985 262 V HN 0.940 nan 8.190 nan 0.000 0.466 263 T N 0.765 115.281 114.554 -0.064 0.000 2.959 263 T HA 0.367 4.717 4.350 -0.001 0.000 0.254 263 T C 0.341 175.043 174.700 0.003 0.000 1.003 263 T CA -0.105 61.973 62.100 -0.036 0.000 0.950 263 T CB 0.311 69.160 68.868 -0.032 0.000 1.090 263 T HN 0.493 nan 8.240 nan 0.000 0.503 264 K N 0.191 120.611 120.400 0.033 0.000 2.542 264 K HA 0.714 5.033 4.320 -0.001 0.000 0.259 264 K C -2.070 174.545 176.600 0.024 0.000 0.932 264 K CA -0.652 55.675 56.287 0.065 0.000 0.820 264 K CB 2.989 35.643 32.500 0.257 0.000 1.345 264 K HN 0.187 nan 8.250 nan 0.000 0.432 265 I N 0.487 121.011 120.570 -0.076 0.000 2.802 265 I HA 0.520 4.689 4.170 -0.001 0.000 0.298 265 I C -0.724 175.223 176.117 -0.284 0.000 1.176 265 I CA -0.553 60.669 61.300 -0.130 0.000 1.025 265 I CB 2.084 40.029 38.000 -0.092 0.000 1.243 265 I HN 0.705 nan 8.210 nan 0.000 0.424 266 G N 7.107 115.693 108.800 -0.357 0.000 2.332 266 G HA2 0.599 4.559 3.960 -0.001 0.000 0.310 266 G HA3 0.599 4.559 3.960 -0.001 0.000 0.310 266 G C -0.949 173.756 174.900 -0.324 0.000 1.123 266 G CA -0.310 44.506 45.100 -0.473 0.000 0.873 266 G HN 0.321 nan 8.290 nan 0.000 0.460 267 I N 2.010 122.457 120.570 -0.206 0.000 2.436 267 I HA 0.303 4.473 4.170 -0.001 0.000 0.289 267 I C -0.682 175.494 176.117 0.100 0.000 1.010 267 I CA -1.480 59.734 61.300 -0.144 0.000 1.098 267 I CB 1.623 39.565 38.000 -0.096 0.000 1.266 267 I HN 0.448 nan 8.210 nan 0.000 0.434 268 W N 6.485 127.827 121.300 0.069 0.000 2.210 268 W HA 0.300 4.960 4.660 -0.001 0.000 0.330 268 W C -0.086 176.572 176.519 0.232 0.000 1.334 268 W CA -0.476 56.982 57.345 0.188 0.000 1.227 268 W CB -0.010 29.579 29.460 0.215 0.000 1.178 268 W HN 0.238 nan 8.180 nan 0.000 0.560 269 L N 4.719 126.140 121.223 0.331 0.000 2.329 269 L HA 0.448 4.787 4.340 -0.001 0.000 0.279 269 L C 0.390 177.070 176.870 -0.316 0.000 1.014 269 L CA -1.025 53.822 54.840 0.013 0.000 0.814 269 L CB 1.624 43.691 42.059 0.014 0.000 1.257 269 L HN 0.258 nan 8.230 nan 0.000 0.424 270 M N 4.529 123.625 119.600 -0.841 0.000 2.184 270 M HA 0.282 4.761 4.480 -0.001 0.000 0.351 270 M C -2.291 173.767 176.300 -0.404 0.000 1.395 270 M CA -1.352 53.350 55.300 -0.997 0.000 1.117 270 M CB 1.078 33.025 32.600 -1.089 0.000 1.708 270 M HN 0.191 nan 8.290 nan 0.000 0.468 271 P HA -0.071 nan 4.420 nan 0.000 0.264 271 P C -0.703 176.352 177.300 -0.409 0.000 1.183 271 P CA 0.117 63.063 63.100 -0.256 0.000 0.763 271 P CB 0.243 31.837 31.700 -0.176 0.000 0.807 272 N N 4.660 123.037 118.700 -0.539 0.000 2.217 272 N HA -0.106 4.634 4.740 -0.001 0.000 0.268 272 N C -1.091 174.071 175.510 -0.581 0.000 1.290 272 N CA -0.390 52.135 53.050 -0.876 0.000 0.831 272 N CB 0.372 38.518 38.487 -0.569 0.000 1.057 272 N HN 0.292 nan 8.380 nan 0.000 0.481 273 P HA -0.046 nan 4.420 nan 0.000 0.236 273 P C 0.285 177.488 177.300 -0.162 0.000 1.177 273 P CA 0.955 63.895 63.100 -0.267 0.000 0.773 273 P CB 0.131 31.768 31.700 -0.105 0.000 0.878 274 R N -1.304 119.078 120.500 -0.198 0.000 3.527 274 R HA 0.077 4.417 4.340 -0.001 0.000 0.288 274 R C 0.511 176.794 176.300 -0.029 0.000 1.146 274 R CA 1.004 57.048 56.100 -0.093 0.000 0.778 274 R CB -2.948 nan 30.300 nan 0.000 1.289 274 R HN 0.784 nan 8.270 nan 0.000 0.454 275 G N -1.802 106.999 108.800 0.001 0.000 2.046 275 G HA2 0.537 4.497 3.960 -0.001 0.000 0.245 275 G HA3 0.537 4.497 3.960 -0.001 0.000 0.245 275 G C -1.281 173.701 174.900 0.138 0.000 1.723 275 G CA 0.165 45.297 45.100 0.054 0.000 0.909 275 G HN 1.703 nan 8.290 nan 0.000 0.737 276 Y N 1.511 121.805 120.300 -0.011 0.000 2.524 276 Y HA 0.834 5.383 4.550 -0.001 0.000 0.347 276 Y C -0.699 175.096 175.900 -0.175 0.000 1.005 276 Y CA -1.384 56.690 58.100 -0.044 0.000 1.025 276 Y CB 2.959 41.539 38.460 0.200 0.000 1.275 276 Y HN 0.752 nan 8.280 nan 0.000 0.460 277 Q N 3.180 122.292 119.800 -1.146 0.000 2.536 277 Q HA 0.390 4.730 4.340 -0.001 0.000 0.231 277 Q C -1.530 173.830 176.000 -1.067 0.000 0.811 277 Q CA -0.389 54.760 55.803 -1.090 0.000 0.966 277 Q CB 1.152 29.378 28.738 -0.853 0.000 1.512 277 Q HN 0.764 nan 8.270 nan 0.000 0.456 278 S N 2.222 117.324 115.700 -0.997 0.000 2.661 278 S HA 0.894 5.364 4.470 -0.001 0.000 0.265 278 S C -0.378 174.023 174.600 -0.331 0.000 1.225 278 S CA 0.107 57.967 58.200 -0.567 0.000 0.986 278 S CB 0.733 63.733 63.200 -0.333 0.000 1.008 278 S HN 0.964 nan 8.310 nan 0.000 0.565 279 Y N -2.466 117.680 120.300 -0.257 0.000 2.774 279 Y HA 0.715 5.265 4.550 -0.001 0.000 0.346 279 Y C -2.043 173.783 175.900 -0.123 0.000 1.222 279 Y CA -1.633 56.387 58.100 -0.133 0.000 1.088 279 Y CB 0.487 38.835 38.460 -0.186 0.000 1.354 279 Y HN 0.757 nan 8.280 nan 0.000 0.455 280 L N 2.744 124.092 121.223 0.208 0.000 2.410 280 L HA 0.782 5.122 4.340 -0.001 0.000 0.270 280 L C -1.803 175.161 176.870 0.156 0.000 0.983 280 L CA -1.240 53.552 54.840 -0.080 0.000 0.822 280 L CB 1.769 43.720 42.059 -0.180 0.000 1.285 280 L HN 0.707 nan 8.230 nan 0.000 0.409 281 I N 3.980 124.568 120.570 0.031 0.000 2.389 281 I HA 0.425 4.595 4.170 -0.001 0.000 0.288 281 I C -0.167 175.923 176.117 -0.045 0.000 0.999 281 I CA -0.561 60.712 61.300 -0.044 0.000 1.129 281 I CB 2.080 40.030 38.000 -0.083 0.000 1.288 281 I HN 0.702 nan 8.210 nan 0.000 0.444 282 T N 4.762 119.272 114.554 -0.073 0.000 2.875 282 T HA 0.727 5.077 4.350 -0.001 0.000 0.284 282 T C -0.482 174.223 174.700 0.009 0.000 0.995 282 T CA -0.742 61.369 62.100 0.019 0.000 1.060 282 T CB 1.486 70.410 68.868 0.094 0.000 0.967 282 T HN 0.342 nan 8.240 nan 0.000 0.476 283 L N 4.256 125.531 121.223 0.085 0.000 2.318 283 L HA 0.362 4.702 4.340 -0.001 0.000 0.277 283 L C -1.897 175.029 176.870 0.093 0.000 1.008 283 L CA -2.361 52.546 54.840 0.111 0.000 0.846 283 L CB 1.819 43.999 42.059 0.202 0.000 1.220 283 L HN 0.388 nan 8.230 nan 0.000 0.423 284 P HA -0.159 nan 4.420 nan 0.000 0.211 284 P C -0.138 177.188 177.300 0.042 0.000 1.181 284 P CA 1.367 64.487 63.100 0.034 0.000 0.929 284 P CB 0.201 31.915 31.700 0.022 0.000 0.789 285 K N -0.327 120.113 120.400 0.066 0.000 2.118 285 K HA 0.045 4.365 4.320 -0.001 0.000 0.264 285 K C 0.810 177.498 176.600 0.148 0.000 1.000 285 K CA -0.280 56.054 56.287 0.077 0.000 0.929 285 K CB 0.338 32.880 32.500 0.070 0.000 1.021 285 K HN -0.096 nan 8.250 nan 0.000 0.463 286 D N 1.675 122.155 120.400 0.132 0.000 2.158 286 D HA -0.117 4.522 4.640 -0.001 0.000 0.197 286 D C 1.496 178.042 176.300 0.410 0.000 0.995 286 D CA 1.418 55.568 54.000 0.250 0.000 0.846 286 D CB -0.066 40.860 40.800 0.210 0.000 0.941 286 D HN 0.796 nan 8.370 nan 0.000 0.456 287 G N -0.795 108.148 108.800 0.238 0.000 2.920 287 G HA2 -0.104 3.856 3.960 -0.001 0.000 0.208 287 G HA3 -0.104 3.856 3.960 -0.001 0.000 0.208 287 G C 0.865 175.822 174.900 0.094 0.000 1.159 287 G CA 0.064 45.265 45.100 0.169 0.000 0.784 287 G HN 0.151 nan 8.290 nan 0.000 0.535 288 D N 0.154 120.630 120.400 0.128 0.000 2.363 288 D HA -0.025 4.614 4.640 -0.001 0.000 0.220 288 D C 2.227 178.486 176.300 -0.068 0.000 0.994 288 D CA -0.139 53.890 54.000 0.048 0.000 0.890 288 D CB 0.234 41.089 40.800 0.091 0.000 0.906 288 D HN 0.270 nan 8.370 nan 0.000 0.530 289 L N 1.397 122.505 121.223 -0.191 0.000 2.013 289 L HA -0.255 4.085 4.340 -0.001 0.000 0.212 289 L C 2.141 178.768 176.870 -0.406 0.000 1.073 289 L CA 1.829 56.308 54.840 -0.603 0.000 0.753 289 L CB -0.395 41.012 42.059 -1.086 0.000 0.890 289 L HN -0.159 nan 8.230 nan 0.000 0.432 290 K N -0.438 119.816 120.400 -0.244 0.000 2.020 290 K HA -0.254 4.066 4.320 -0.001 0.000 0.212 290 K C 2.145 178.623 176.600 -0.204 0.000 1.050 290 K CA 2.222 58.393 56.287 -0.194 0.000 0.929 290 K CB -0.615 31.828 32.500 -0.094 0.000 0.714 290 K HN 0.547 nan 8.250 nan 0.000 0.443 291 Q N -0.992 118.702 119.800 -0.176 0.000 2.311 291 Q HA 0.081 4.421 4.340 -0.001 0.000 0.203 291 Q C 1.913 177.743 176.000 -0.283 0.000 0.954 291 Q CA 0.803 56.489 55.803 -0.195 0.000 0.885 291 Q CB 0.004 28.651 28.738 -0.151 0.000 0.963 291 Q HN 0.495 nan 8.270 nan 0.000 0.471 292 A N 0.131 122.777 122.820 -0.291 0.000 1.845 292 A HA -0.152 4.168 4.320 -0.001 0.000 0.215 292 A C 2.190 179.533 177.584 -0.402 0.000 1.195 292 A CA 1.487 53.308 52.037 -0.360 0.000 0.616 292 A CB -0.878 18.009 19.000 -0.188 0.000 0.832 292 A HN 0.222 nan 8.150 nan 0.000 0.443 293 V N 0.871 120.557 119.914 -0.380 0.000 2.324 293 V HA -0.302 3.817 4.120 -0.001 0.000 0.250 293 V C 2.139 178.064 176.094 -0.282 0.000 1.060 293 V CA 2.443 64.528 62.300 -0.359 0.000 1.042 293 V CB -1.015 30.550 31.823 -0.429 0.000 0.650 293 V HN 0.484 nan 8.190 nan 0.000 0.450 294 D N -0.440 119.801 120.400 -0.265 0.000 2.218 294 D HA -0.081 4.559 4.640 -0.001 0.000 0.204 294 D C 1.951 178.113 176.300 -0.231 0.000 0.976 294 D CA 1.131 55.004 54.000 -0.212 0.000 0.853 294 D CB -0.063 40.625 40.800 -0.186 0.000 0.939 294 D HN 0.453 nan 8.370 nan 0.000 0.481 295 I N 0.128 120.498 120.570 -0.333 0.000 2.494 295 I HA -0.086 4.083 4.170 -0.001 0.000 0.250 295 I C 2.059 178.002 176.117 -0.290 0.000 1.112 295 I CA 0.309 61.376 61.300 -0.389 0.000 1.438 295 I CB 0.109 37.681 38.000 -0.714 0.000 1.111 295 I HN -0.083 nan 8.210 nan 0.000 0.431 296 I N 0.545 120.943 120.570 -0.288 0.000 2.530 296 I HA -0.298 3.872 4.170 -0.001 0.000 0.257 296 I C 2.634 178.713 176.117 -0.064 0.000 1.179 296 I CA 1.084 62.305 61.300 -0.131 0.000 1.440 296 I CB -0.634 37.262 38.000 -0.174 0.000 1.087 296 I HN 0.275 nan 8.210 nan 0.000 0.440 297 R N 1.699 122.140 120.500 -0.099 0.000 2.061 297 R HA -0.103 4.237 4.340 -0.001 0.000 0.230 297 R C -0.330 175.952 176.300 -0.029 0.000 1.140 297 R CA 1.612 57.676 56.100 -0.061 0.000 0.940 297 R CB -1.082 29.170 30.300 -0.080 0.000 0.839 297 R HN 0.230 nan 8.270 nan 0.000 0.429 298 P HA -0.108 nan 4.420 nan 0.000 0.223 298 P C 1.293 178.598 177.300 0.009 0.000 1.151 298 P CA 1.155 64.245 63.100 -0.017 0.000 0.787 298 P CB -0.016 31.665 31.700 -0.033 0.000 0.788 299 L N -1.074 120.160 121.223 0.018 0.000 2.109 299 L HA -0.034 4.305 4.340 -0.001 0.000 0.207 299 L C 2.957 179.888 176.870 0.102 0.000 1.086 299 L CA 0.936 55.817 54.840 0.069 0.000 0.760 299 L CB -0.597 41.525 42.059 0.104 0.000 0.910 299 L HN -0.098 nan 8.230 nan 0.000 0.437 300 R N 0.420 120.975 120.500 0.092 0.000 2.061 300 R HA -0.105 4.235 4.340 -0.001 0.000 0.230 300 R C 2.014 178.360 176.300 0.077 0.000 1.140 300 R CA 1.385 57.546 56.100 0.102 0.000 0.940 300 R CB -0.653 29.700 30.300 0.088 0.000 0.839 300 R HN 0.055 nan 8.270 nan 0.000 0.429 301 L N 0.046 121.300 121.223 0.051 0.000 2.447 301 L HA 0.013 4.352 4.340 -0.001 0.000 0.225 301 L C 1.338 178.234 176.870 0.043 0.000 1.148 301 L CA 2.003 56.868 54.840 0.041 0.000 0.808 301 L CB -0.994 41.080 42.059 0.025 0.000 0.928 301 L HN 0.498 nan 8.230 nan 0.000 0.448 302 G N -2.927 105.904 108.800 0.051 0.000 3.596 302 G HA2 0.215 4.175 3.960 -0.001 0.000 0.274 302 G HA3 0.215 4.175 3.960 -0.001 0.000 0.274 302 G C 0.714 175.653 174.900 0.065 0.000 1.007 302 G CA -0.255 44.874 45.100 0.049 0.000 0.825 302 G HN 0.196 nan 8.290 nan 0.000 0.508 303 M N -0.050 119.600 119.600 0.082 0.000 2.249 303 M HA -0.252 4.228 4.480 -0.001 0.000 0.198 303 M C 1.574 177.945 176.300 0.118 0.000 0.394 303 M CA 0.669 56.029 55.300 0.100 0.000 0.427 303 M CB -1.237 31.412 32.600 0.081 0.000 1.307 303 M HN 0.357 nan 8.290 nan 0.000 0.924 304 A N -0.949 121.950 122.820 0.132 0.000 1.997 304 A HA 0.415 4.735 4.320 -0.001 0.000 0.212 304 A C 0.698 178.420 177.584 0.229 0.000 1.178 304 A CA 0.448 52.580 52.037 0.159 0.000 0.698 304 A CB 0.408 19.490 19.000 0.137 0.000 0.842 304 A HN 0.462 nan 8.150 nan 0.000 0.458 305 L N 0.507 121.877 121.223 0.246 0.000 2.264 305 L HA 0.298 4.638 4.340 -0.001 0.000 0.289 305 L C 0.770 177.794 176.870 0.257 0.000 1.044 305 L CA -0.239 54.785 54.840 0.307 0.000 0.807 305 L CB 1.436 43.702 42.059 0.345 0.000 1.192 305 L HN 0.327 nan 8.230 nan 0.000 0.425 306 Q N 1.453 121.431 119.800 0.298 0.000 2.396 306 Q HA 0.039 4.379 4.340 -0.001 0.000 0.209 306 Q C 0.403 176.507 176.000 0.175 0.000 0.906 306 Q CA 0.229 56.176 55.803 0.240 0.000 0.927 306 Q CB 0.437 29.367 28.738 0.320 0.000 1.069 306 Q HN 0.774 nan 8.270 nan 0.000 0.523 307 N N -1.247 117.594 118.700 0.235 0.000 3.312 307 N HA 0.204 4.944 4.740 -0.001 0.000 0.361 307 N C -0.656 174.965 175.510 0.186 0.000 1.476 307 N CA -0.614 52.550 53.050 0.191 0.000 0.669 307 N CB 0.671 39.344 38.487 0.310 0.000 1.629 307 N HN -0.218 nan 8.380 nan 0.000 0.612 308 V N 1.294 121.329 119.914 0.201 0.000 2.257 308 V HA 0.418 4.538 4.120 -0.001 0.000 0.269 308 V C -2.360 173.869 176.094 0.225 0.000 1.040 308 V CA -1.267 61.155 62.300 0.202 0.000 0.813 308 V CB 0.303 32.227 31.823 0.169 0.000 1.065 308 V HN 0.566 nan 8.190 nan 0.000 0.457 309 P HA 0.366 nan 4.420 nan 0.000 0.274 309 P C -0.163 177.212 177.300 0.124 0.000 1.237 309 P CA 0.042 63.202 63.100 0.099 0.000 0.793 309 P CB 0.792 32.620 31.700 0.213 0.000 0.977 310 T N -0.989 113.575 114.554 0.016 0.000 2.856 310 T HA 0.706 5.056 4.350 -0.001 0.000 0.283 310 T C 0.043 174.904 174.700 0.268 0.000 1.008 310 T CA -0.738 61.401 62.100 0.065 0.000 0.997 310 T CB 0.655 69.404 68.868 -0.197 0.000 0.992 310 T HN 0.167 nan 8.240 nan 0.000 0.454 311 I N 2.353 123.128 120.570 0.342 0.000 2.330 311 I HA 0.406 4.575 4.170 -0.001 0.000 0.286 311 I C 0.486 176.871 176.117 0.446 0.000 1.025 311 I CA -0.789 60.773 61.300 0.436 0.000 1.197 311 I CB 0.847 39.043 38.000 0.327 0.000 1.358 311 I HN 0.375 nan 8.210 nan 0.000 0.467 312 R N 3.586 124.340 120.500 0.424 0.000 2.457 312 R HA 0.350 4.690 4.340 -0.001 0.000 0.284 312 R C -0.010 176.504 176.300 0.357 0.000 1.024 312 R CA -0.777 55.500 56.100 0.295 0.000 1.025 312 R CB 1.062 31.433 30.300 0.119 0.000 1.063 312 R HN 0.521 nan 8.270 nan 0.000 0.493 313 H N 2.431 121.537 119.070 0.060 0.000 2.652 313 H HA 0.003 4.559 4.556 -0.001 0.000 0.349 313 H C 1.115 176.279 175.328 -0.274 0.000 1.099 313 H CA -0.020 55.845 56.048 -0.305 0.000 1.417 313 H CB 1.188 30.783 29.762 -0.277 0.000 1.457 313 H HN 0.540 nan 8.280 nan 0.000 0.568 314 I N 4.548 124.744 120.570 -0.623 0.000 2.502 314 I HA -0.248 3.922 4.170 -0.001 0.000 0.258 314 I C 1.748 177.700 176.117 -0.275 0.000 1.172 314 I CA 1.243 62.317 61.300 -0.377 0.000 1.430 314 I CB -0.160 37.583 38.000 -0.428 0.000 1.086 314 I HN 0.644 nan 8.210 nan 0.000 0.440 315 L N -1.019 120.087 121.223 -0.194 0.000 2.418 315 L HA -0.054 4.286 4.340 -0.001 0.000 0.218 315 L C 2.113 178.705 176.870 -0.464 0.000 1.125 315 L CA 0.059 54.661 54.840 -0.397 0.000 0.835 315 L CB -0.325 41.454 42.059 -0.466 0.000 0.953 315 L HN 0.309 nan 8.230 nan 0.000 0.454 316 L N 0.227 121.247 121.223 -0.337 0.000 2.027 316 L HA -0.184 4.155 4.340 -0.001 0.000 0.206 316 L C 2.006 178.752 176.870 -0.207 0.000 1.074 316 L CA 1.915 56.522 54.840 -0.388 0.000 0.745 316 L CB -0.587 41.254 42.059 -0.363 0.000 0.898 316 L HN 0.199 nan 8.230 nan 0.000 0.433 317 D N -0.526 119.795 120.400 -0.131 0.000 2.149 317 D HA -0.077 4.563 4.640 -0.001 0.000 0.201 317 D C 2.205 178.512 176.300 0.012 0.000 0.972 317 D CA 1.315 55.294 54.000 -0.034 0.000 0.835 317 D CB -0.224 40.579 40.800 0.004 0.000 0.966 317 D HN 0.387 nan 8.370 nan 0.000 0.476 318 A N 1.097 123.877 122.820 -0.066 0.000 1.940 318 A HA -0.081 4.239 4.320 -0.001 0.000 0.219 318 A C 2.278 180.003 177.584 0.235 0.000 1.176 318 A CA 2.254 54.276 52.037 -0.025 0.000 0.631 318 A CB -0.633 18.128 19.000 -0.398 0.000 0.814 318 A HN 0.251 nan 8.150 nan 0.000 0.446 319 A N -0.939 121.954 122.820 0.122 0.000 2.016 319 A HA 0.169 4.489 4.320 -0.001 0.000 0.217 319 A C 2.141 179.931 177.584 0.344 0.000 1.162 319 A CA 1.285 53.535 52.037 0.354 0.000 0.662 319 A CB -0.620 18.515 19.000 0.225 0.000 0.812 319 A HN 0.325 nan 8.150 nan 0.000 0.450 320 V N 0.126 120.196 119.914 0.259 0.000 2.343 320 V HA -0.241 3.879 4.120 -0.001 0.000 0.247 320 V C 2.504 178.701 176.094 0.172 0.000 1.051 320 V CA 1.953 64.382 62.300 0.214 0.000 1.036 320 V CB -0.591 31.329 31.823 0.162 0.000 0.654 320 V HN 0.573 nan 8.190 nan 0.000 0.451 321 L N -0.880 120.459 121.223 0.194 0.000 2.095 321 L HA 0.277 4.616 4.340 -0.001 0.000 0.204 321 L C 1.105 178.070 176.870 0.159 0.000 1.080 321 L CA 1.195 56.136 54.840 0.168 0.000 0.759 321 L CB -0.308 41.861 42.059 0.184 0.000 0.914 321 L HN 0.496 nan 8.230 nan 0.000 0.439 322 G N -0.571 108.381 108.800 0.254 0.000 2.742 322 G HA2 0.339 4.298 3.960 -0.001 0.000 0.296 322 G HA3 0.339 4.298 3.960 -0.001 0.000 0.296 322 G C -1.591 173.488 174.900 0.298 0.000 1.436 322 G CA -0.575 44.608 45.100 0.137 0.000 0.928 322 G HN 0.042 nan 8.290 nan 0.000 0.520 323 D N 0.522 121.013 120.400 0.152 0.000 2.335 323 D HA -0.042 4.597 4.640 -0.001 0.000 0.236 323 D C 1.263 177.597 176.300 0.057 0.000 1.297 323 D CA -0.333 53.751 54.000 0.140 0.000 0.906 323 D CB 1.165 41.968 40.800 0.006 0.000 1.164 323 D HN 0.452 nan 8.370 nan 0.000 0.469 324 K N -0.232 119.960 120.400 -0.346 0.000 2.097 324 K HA -0.144 4.176 4.320 -0.001 0.000 0.205 324 K C 2.152 178.581 176.600 -0.285 0.000 1.050 324 K CA 0.712 56.533 56.287 -0.776 0.000 0.938 324 K CB -0.002 31.673 32.500 -1.376 0.000 0.718 324 K HN 0.276 nan 8.250 nan 0.000 0.442 325 R N 0.256 120.625 120.500 -0.218 0.000 2.152 325 R HA -0.081 4.258 4.340 -0.001 0.000 0.232 325 R C 2.267 178.502 176.300 -0.109 0.000 1.117 325 R CA 1.643 57.660 56.100 -0.138 0.000 0.981 325 R CB -0.068 30.163 30.300 -0.114 0.000 0.870 325 R HN 0.297 nan 8.270 nan 0.000 0.451 326 S N -1.203 114.406 115.700 -0.151 0.000 2.527 326 S HA -0.041 4.429 4.470 -0.001 0.000 0.222 326 S C 1.311 175.763 174.600 -0.248 0.000 0.985 326 S CA 0.392 58.459 58.200 -0.222 0.000 0.921 326 S CB -0.034 62.977 63.200 -0.314 0.000 0.772 326 S HN 0.293 nan 8.310 nan 0.000 0.529 327 Y N 1.241 121.537 120.300 -0.006 0.000 2.441 327 Y HA 0.498 5.048 4.550 -0.001 0.000 0.288 327 Y C 1.370 177.283 175.900 0.022 0.000 1.118 327 Y CA 0.177 58.301 58.100 0.040 0.000 1.215 327 Y CB 0.176 38.709 38.460 0.122 0.000 1.118 327 Y HN 0.370 nan 8.280 nan 0.000 0.547 328 S N -1.789 113.991 115.700 0.134 0.000 2.547 328 S HA 0.321 4.790 4.470 -0.001 0.000 0.270 328 S C 0.204 174.807 174.600 0.005 0.000 1.150 328 S CA -0.487 57.755 58.200 0.069 0.000 0.850 328 S CB 1.489 64.742 63.200 0.089 0.000 1.118 328 S HN -0.057 nan 8.310 nan 0.000 0.461 329 S N 1.249 116.950 115.700 0.001 0.000 2.548 329 S HA 0.286 4.755 4.470 -0.001 0.000 0.215 329 S C 0.785 175.375 174.600 -0.018 0.000 0.976 329 S CA 0.061 58.250 58.200 -0.019 0.000 0.908 329 S CB -0.167 63.025 63.200 -0.013 0.000 0.781 329 S HN 0.624 nan 8.310 nan 0.000 0.519 330 R N 0.558 121.057 120.500 -0.002 0.000 2.756 330 R HA 0.099 4.438 4.340 -0.001 0.000 0.264 330 R C 1.218 177.517 176.300 -0.002 0.000 1.026 330 R CA 0.492 56.596 56.100 0.007 0.000 1.121 330 R CB 0.351 30.668 30.300 0.029 0.000 0.999 330 R HN 0.091 nan 8.270 nan 0.000 0.449 331 T N 1.017 115.575 114.554 0.007 0.000 3.010 331 T HA 0.004 4.354 4.350 -0.001 0.000 0.252 331 T C 0.325 175.042 174.700 0.027 0.000 1.047 331 T CA 0.609 62.714 62.100 0.008 0.000 1.140 331 T CB 0.181 69.054 68.868 0.008 0.000 0.885 331 T HN 0.376 nan 8.240 nan 0.000 0.464 332 E N 1.616 121.837 120.200 0.036 0.000 2.416 332 E HA 0.231 4.580 4.350 -0.001 0.000 0.254 332 E C -2.249 174.397 176.600 0.077 0.000 1.241 332 E CA -1.915 54.517 56.400 0.052 0.000 0.969 332 E CB -0.233 29.494 29.700 0.045 0.000 0.999 332 E HN 0.155 nan 8.360 nan 0.000 0.481 333 P HA 0.133 nan 4.420 nan 0.000 0.273 333 P C -0.311 177.064 177.300 0.126 0.000 1.250 333 P CA -0.142 63.038 63.100 0.134 0.000 0.793 333 P CB 0.431 32.209 31.700 0.130 0.000 1.011 334 L N 0.403 121.723 121.223 0.161 0.000 2.371 334 L HA 0.239 4.578 4.340 -0.001 0.000 0.272 334 L C 1.178 178.113 176.870 0.109 0.000 1.124 334 L CA -0.357 54.568 54.840 0.141 0.000 0.816 334 L CB 0.577 42.746 42.059 0.183 0.000 1.129 334 L HN 0.494 nan 8.230 nan 0.000 0.448 335 S N 0.038 115.789 115.700 0.085 0.000 2.634 335 S HA 0.061 4.531 4.470 -0.001 0.000 0.261 335 S C 0.474 175.111 174.600 0.063 0.000 1.271 335 S CA -0.624 57.616 58.200 0.066 0.000 0.985 335 S CB 1.181 64.413 63.200 0.053 0.000 0.968 335 S HN 0.655 nan 8.310 nan 0.000 0.568 336 D N 0.432 120.863 120.400 0.052 0.000 2.183 336 D HA -0.003 4.636 4.640 -0.001 0.000 0.203 336 D C 1.718 178.038 176.300 0.033 0.000 0.969 336 D CA 1.121 55.148 54.000 0.045 0.000 0.842 336 D CB -0.090 40.736 40.800 0.043 0.000 0.957 336 D HN 0.703 nan 8.370 nan 0.000 0.484 337 E N 0.302 120.523 120.200 0.034 0.000 2.106 337 E HA -0.103 4.247 4.350 -0.001 0.000 0.192 337 E C 1.694 178.312 176.600 0.031 0.000 0.984 337 E CA 0.703 57.121 56.400 0.029 0.000 0.806 337 E CB -0.117 29.601 29.700 0.030 0.000 0.750 337 E HN 0.318 nan 8.360 nan 0.000 0.458 338 E N -0.075 120.149 120.200 0.041 0.000 2.418 338 E HA -0.036 4.314 4.350 -0.001 0.000 0.197 338 E C 1.472 178.093 176.600 0.035 0.000 1.026 338 E CA 0.329 56.759 56.400 0.049 0.000 0.862 338 E CB 0.128 29.869 29.700 0.068 0.000 0.799 338 E HN 0.246 nan 8.360 nan 0.000 0.518 339 L N 0.228 121.461 121.223 0.015 0.000 2.298 339 L HA -0.036 4.304 4.340 -0.001 0.000 0.209 339 L C 1.549 178.389 176.870 -0.051 0.000 1.084 339 L CA 0.309 55.131 54.840 -0.029 0.000 0.816 339 L CB 0.025 42.065 42.059 -0.032 0.000 0.967 339 L HN 0.027 nan 8.230 nan 0.000 0.460 340 D N 0.615 121.000 120.400 -0.024 0.000 2.178 340 D HA -0.165 4.475 4.640 -0.001 0.000 0.202 340 D C 2.024 178.321 176.300 -0.005 0.000 0.974 340 D CA 1.067 55.055 54.000 -0.020 0.000 0.841 340 D CB 0.142 40.941 40.800 -0.002 0.000 0.953 340 D HN 0.220 nan 8.370 nan 0.000 0.478 341 K N 0.248 120.654 120.400 0.010 0.000 2.103 341 K HA 0.031 4.350 4.320 -0.001 0.000 0.204 341 K C 2.147 178.768 176.600 0.035 0.000 1.052 341 K CA 0.376 56.681 56.287 0.029 0.000 0.945 341 K CB 0.112 32.640 32.500 0.046 0.000 0.722 341 K HN 0.129 nan 8.250 nan 0.000 0.443 342 I N 0.452 121.028 120.570 0.009 0.000 2.761 342 I HA -0.168 4.001 4.170 -0.001 0.000 0.261 342 I C 2.229 178.327 176.117 -0.031 0.000 1.198 342 I CA 0.418 61.709 61.300 -0.015 0.000 1.482 342 I CB -0.139 37.770 38.000 -0.152 0.000 1.100 342 I HN 0.121 nan 8.210 nan 0.000 0.445 343 A N 2.327 125.121 122.820 -0.044 0.000 1.840 343 A HA -0.218 4.102 4.320 -0.001 0.000 0.214 343 A C 2.291 179.870 177.584 -0.009 0.000 1.198 343 A CA 1.897 53.907 52.037 -0.044 0.000 0.608 343 A CB -0.517 18.447 19.000 -0.060 0.000 0.839 343 A HN 0.449 nan 8.150 nan 0.000 0.443 344 K N -0.042 120.361 120.400 0.004 0.000 2.147 344 K HA -0.178 4.142 4.320 -0.001 0.000 0.205 344 K C 2.031 178.646 176.600 0.026 0.000 1.049 344 K CA 1.737 58.035 56.287 0.017 0.000 0.936 344 K CB -0.405 32.106 32.500 0.019 0.000 0.722 344 K HN 0.553 nan 8.250 nan 0.000 0.446 345 Q N 0.943 120.765 119.800 0.038 0.000 1.927 345 Q HA -0.106 4.233 4.340 -0.001 0.000 0.210 345 Q C 1.993 178.022 176.000 0.048 0.000 1.001 345 Q CA 2.278 58.116 55.803 0.058 0.000 0.862 345 Q CB -0.193 28.606 28.738 0.102 0.000 0.934 345 Q HN 0.431 nan 8.270 nan 0.000 0.420 346 L N 0.339 121.591 121.223 0.048 0.000 2.551 346 L HA -0.042 4.297 4.340 -0.001 0.000 0.228 346 L C 0.506 177.369 176.870 -0.011 0.000 1.153 346 L CA 0.083 54.942 54.840 0.033 0.000 0.851 346 L CB -0.191 41.895 42.059 0.044 0.000 0.959 346 L HN 0.465 nan 8.230 nan 0.000 0.451 347 N N -0.725 117.969 118.700 -0.010 0.000 2.925 347 N HA -0.158 4.581 4.740 -0.001 0.000 0.244 347 N C -0.274 175.220 175.510 -0.027 0.000 1.000 347 N CA 0.773 53.807 53.050 -0.026 0.000 0.895 347 N CB -1.171 37.269 38.487 -0.078 0.000 1.119 347 N HN 0.211 nan 8.380 nan 0.000 0.569 348 L N -0.745 120.468 121.223 -0.017 0.000 2.400 348 L HA 0.709 5.049 4.340 -0.001 0.000 0.264 348 L C 1.711 178.582 176.870 0.001 0.000 1.061 348 L CA -0.387 54.451 54.840 -0.004 0.000 0.799 348 L CB 0.954 43.006 42.059 -0.010 0.000 1.240 348 L HN 0.081 nan 8.230 nan 0.000 0.461 349 G N -0.586 108.219 108.800 0.008 0.000 2.531 349 G HA2 0.242 4.201 3.960 -0.001 0.000 0.281 349 G HA3 0.242 4.201 3.960 -0.001 0.000 0.281 349 G C 0.554 175.401 174.900 -0.088 0.000 1.382 349 G CA -0.415 44.681 45.100 -0.007 0.000 1.045 349 G HN 0.468 nan 8.290 nan 0.000 0.533 350 R N -1.237 119.186 120.500 -0.127 0.000 2.090 350 R HA 0.037 4.377 4.340 -0.001 0.000 0.228 350 R C -0.065 175.860 176.300 -0.626 0.000 1.110 350 R CA 0.537 56.411 56.100 -0.376 0.000 0.973 350 R CB -0.172 29.936 30.300 -0.320 0.000 0.869 350 R HN 0.533 nan 8.270 nan 0.000 0.440 351 W N 0.294 121.549 121.300 -0.074 0.000 2.706 351 W HA 0.358 5.018 4.660 -0.001 0.000 0.346 351 W C -0.624 175.922 176.519 0.044 0.000 1.071 351 W CA -0.847 56.489 57.345 -0.014 0.000 1.206 351 W CB 1.115 30.584 29.460 0.015 0.000 1.413 351 W HN -0.136 nan 8.180 nan 0.000 0.542 352 N N 1.636 120.569 118.700 0.389 0.000 2.397 352 N HA 0.352 5.091 4.740 -0.001 0.000 0.291 352 N C -1.943 173.786 175.510 0.364 0.000 1.065 352 N CA -0.656 52.555 53.050 0.269 0.000 0.884 352 N CB 1.766 40.396 38.487 0.238 0.000 1.551 352 N HN 0.277 nan 8.380 nan 0.000 0.487 353 F N 3.291 123.264 119.950 0.039 0.000 2.388 353 F HA 0.492 5.019 4.527 -0.001 0.000 0.358 353 F C -1.473 174.286 175.800 -0.068 0.000 1.122 353 F CA -0.796 57.246 58.000 0.070 0.000 1.056 353 F CB 0.322 39.348 39.000 0.042 0.000 1.155 353 F HN 0.413 nan 8.300 nan 0.000 0.461 354 Y N 5.006 124.956 120.300 -0.582 0.000 2.369 354 Y HA 0.630 5.179 4.550 -0.001 0.000 0.337 354 Y C 0.589 175.901 175.900 -0.980 0.000 0.961 354 Y CA -0.648 57.063 58.100 -0.647 0.000 1.186 354 Y CB 1.481 39.720 38.460 -0.369 0.000 1.139 354 Y HN 0.765 nan 8.280 nan 0.000 0.494 355 G N 0.948 108.967 108.800 -1.302 0.000 3.108 355 G HA2 0.876 4.836 3.960 -0.001 0.000 0.268 355 G HA3 0.876 4.836 3.960 -0.001 0.000 0.268 355 G C -1.545 172.713 174.900 -1.071 0.000 1.361 355 G CA -0.845 43.554 45.100 -1.169 0.000 1.047 355 G HN 0.764 nan 8.290 nan 0.000 0.540 356 A N -1.079 121.474 122.820 -0.445 0.000 2.589 356 A HA 0.692 5.012 4.320 -0.001 0.000 0.296 356 A C -1.414 176.116 177.584 -0.090 0.000 1.062 356 A CA -0.514 51.350 52.037 -0.288 0.000 0.686 356 A CB 1.106 19.973 19.000 -0.222 0.000 1.282 356 A HN 0.692 nan 8.150 nan 0.000 0.404 357 L N 1.092 122.147 121.223 -0.280 0.000 2.325 357 L HA 0.695 5.035 4.340 -0.001 0.000 0.278 357 L C -1.328 175.315 176.870 -0.378 0.000 1.023 357 L CA -0.585 54.177 54.840 -0.130 0.000 0.811 357 L CB 1.458 43.476 42.059 -0.068 0.000 1.249 357 L HN 0.696 nan 8.230 nan 0.000 0.431 358 Y N 0.888 121.280 120.300 0.154 0.000 2.361 358 Y HA 0.798 5.348 4.550 -0.001 0.000 0.337 358 Y C 0.597 176.544 175.900 0.078 0.000 0.965 358 Y CA -0.595 57.600 58.100 0.158 0.000 1.091 358 Y CB 2.153 40.716 38.460 0.172 0.000 1.182 358 Y HN 0.751 nan 8.280 nan 0.000 0.450 359 G N 2.722 111.618 108.800 0.161 0.000 2.325 359 G HA2 0.112 4.072 3.960 -0.001 0.000 0.285 359 G HA3 0.112 4.072 3.960 -0.001 0.000 0.285 359 G C -3.464 171.459 174.900 0.040 0.000 1.303 359 G CA -1.359 43.791 45.100 0.084 0.000 0.970 359 G HN 0.298 nan 8.290 nan 0.000 0.490 360 P HA 0.289 nan 4.420 nan 0.000 0.279 360 P C 0.808 178.118 177.300 0.016 0.000 1.239 360 P CA -0.317 62.791 63.100 0.014 0.000 0.789 360 P CB 1.364 33.069 31.700 0.009 0.000 0.933 361 E N 4.476 124.680 120.200 0.007 0.000 2.086 361 E HA -0.228 4.122 4.350 -0.001 0.000 0.205 361 E C -0.845 175.767 176.600 0.019 0.000 1.027 361 E CA 2.538 58.942 56.400 0.006 0.000 0.830 361 E CB -1.865 27.837 29.700 0.004 0.000 0.751 361 E HN 0.354 nan 8.360 nan 0.000 0.456 362 P HA -0.203 nan 4.420 nan 0.000 0.222 362 P C 1.745 179.065 177.300 0.033 0.000 1.157 362 P CA 1.600 64.715 63.100 0.024 0.000 0.905 362 P CB -0.194 31.518 31.700 0.019 0.000 0.792 363 I N -1.862 118.730 120.570 0.037 0.000 2.277 363 I HA -0.127 4.043 4.170 -0.001 0.000 0.243 363 I C 2.704 178.860 176.117 0.065 0.000 1.094 363 I CA 0.968 62.298 61.300 0.050 0.000 1.393 363 I CB -0.230 37.802 38.000 0.053 0.000 1.078 363 I HN -0.225 nan 8.210 nan 0.000 0.417 364 R N 0.100 120.634 120.500 0.055 0.000 2.103 364 R HA -0.244 4.096 4.340 -0.001 0.000 0.242 364 R C 2.395 178.752 176.300 0.095 0.000 1.142 364 R CA 1.593 57.725 56.100 0.054 0.000 0.960 364 R CB -0.421 29.870 30.300 -0.015 0.000 0.858 364 R HN 0.285 nan 8.270 nan 0.000 0.439 365 R N 0.243 120.790 120.500 0.079 0.000 2.122 365 R HA -0.201 4.139 4.340 -0.001 0.000 0.236 365 R C 2.217 178.583 176.300 0.111 0.000 1.129 365 R CA 2.262 58.425 56.100 0.103 0.000 0.925 365 R CB -0.424 29.914 30.300 0.064 0.000 0.850 365 R HN 0.077 nan 8.270 nan 0.000 0.431 366 V N 1.298 121.256 119.914 0.074 0.000 2.295 366 V HA -0.259 3.861 4.120 -0.001 0.000 0.246 366 V C 2.432 178.560 176.094 0.057 0.000 1.049 366 V CA 1.799 64.129 62.300 0.049 0.000 1.024 366 V CB -0.546 31.300 31.823 0.039 0.000 0.648 366 V HN 0.338 nan 8.190 nan 0.000 0.447 367 L N -0.900 120.380 121.223 0.094 0.000 1.971 367 L HA -0.290 4.050 4.340 -0.001 0.000 0.215 367 L C 2.479 179.422 176.870 0.121 0.000 1.072 367 L CA 2.591 57.502 54.840 0.117 0.000 0.758 367 L CB -0.747 41.408 42.059 0.160 0.000 0.889 367 L HN 0.554 nan 8.230 nan 0.000 0.433 368 W N 1.449 122.711 121.300 -0.063 0.000 2.321 368 W HA -0.263 4.396 4.660 -0.001 0.000 0.306 368 W C 2.234 178.655 176.519 -0.164 0.000 1.217 368 W CA 1.919 59.180 57.345 -0.141 0.000 1.257 368 W CB -0.006 29.382 29.460 -0.120 0.000 1.145 368 W HN 0.296 nan 8.180 nan 0.000 0.509 369 E N -0.562 119.504 120.200 -0.223 0.000 2.077 369 E HA -0.195 4.154 4.350 -0.001 0.000 0.193 369 E C 2.117 178.534 176.600 -0.304 0.000 0.989 369 E CA 2.420 58.624 56.400 -0.328 0.000 0.800 369 E CB -0.340 29.275 29.700 -0.142 0.000 0.746 369 E HN 0.130 nan 8.360 nan 0.000 0.452 370 T N 0.976 115.431 114.554 -0.165 0.000 2.720 370 T HA -0.164 4.185 4.350 -0.001 0.000 0.268 370 T C 1.922 176.550 174.700 -0.120 0.000 1.037 370 T CA 1.166 63.201 62.100 -0.107 0.000 1.144 370 T CB -0.223 68.628 68.868 -0.027 0.000 0.864 370 T HN 0.109 nan 8.240 nan 0.000 0.444 371 I N 0.551 121.025 120.570 -0.160 0.000 2.163 371 I HA -0.116 4.054 4.170 -0.001 0.000 0.240 371 I C 2.659 178.630 176.117 -0.243 0.000 1.081 371 I CA 1.239 62.483 61.300 -0.094 0.000 1.353 371 I CB -0.328 37.645 38.000 -0.044 0.000 1.054 371 I HN 0.095 nan 8.210 nan 0.000 0.407 372 K N 0.754 120.630 120.400 -0.873 0.000 2.015 372 K HA -0.319 4.001 4.320 -0.001 0.000 0.216 372 K C 1.749 178.126 176.600 -0.372 0.000 1.052 372 K CA 2.539 58.152 56.287 -1.124 0.000 0.937 372 K CB -0.386 31.180 32.500 -1.558 0.000 0.719 372 K HN 0.331 nan 8.250 nan 0.000 0.446 373 D N -0.724 119.486 120.400 -0.317 0.000 2.351 373 D HA -0.101 4.538 4.640 -0.001 0.000 0.216 373 D C 1.286 177.548 176.300 -0.062 0.000 0.968 373 D CA 0.981 54.890 54.000 -0.152 0.000 0.899 373 D CB 0.229 40.935 40.800 -0.156 0.000 0.907 373 D HN 0.293 nan 8.370 nan 0.000 0.514 374 A N -0.771 122.037 122.820 -0.021 0.000 1.956 374 A HA 0.138 4.458 4.320 -0.001 0.000 0.212 374 A C 1.545 179.099 177.584 -0.049 0.000 1.188 374 A CA 0.079 52.095 52.037 -0.036 0.000 0.675 374 A CB -0.581 18.397 19.000 -0.036 0.000 0.845 374 A HN 0.302 nan 8.150 nan 0.000 0.455 375 F N 0.348 120.306 119.950 0.013 0.000 2.811 375 F HA 0.075 4.602 4.527 -0.001 0.000 0.301 375 F C 2.224 178.061 175.800 0.062 0.000 1.151 375 F CA 0.600 58.632 58.000 0.054 0.000 1.412 375 F CB 0.276 39.371 39.000 0.157 0.000 1.113 375 F HN 0.118 nan 8.300 nan 0.000 0.579 376 S N -0.229 115.590 115.700 0.199 0.000 2.489 376 S HA -0.023 4.446 4.470 -0.001 0.000 0.228 376 S C 2.202 176.825 174.600 0.038 0.000 0.995 376 S CA 0.743 59.019 58.200 0.127 0.000 0.934 376 S CB -0.167 63.080 63.200 0.078 0.000 0.771 376 S HN 0.347 nan 8.310 nan 0.000 0.522 377 A N 0.649 123.466 122.820 -0.005 0.000 2.239 377 A HA 0.248 4.568 4.320 -0.001 0.000 0.209 377 A C 0.668 178.229 177.584 -0.038 0.000 1.171 377 A CA 0.316 52.331 52.037 -0.036 0.000 0.768 377 A CB -0.324 18.634 19.000 -0.069 0.000 0.790 377 A HN 0.453 nan 8.150 nan 0.000 0.478 378 I N 1.418 121.977 120.570 -0.020 0.000 2.306 378 I HA 0.223 4.393 4.170 -0.001 0.000 0.288 378 I C -2.508 173.607 176.117 -0.004 0.000 1.036 378 I CA -2.274 59.017 61.300 -0.014 0.000 1.221 378 I CB 1.486 39.487 38.000 0.002 0.000 1.385 378 I HN -0.025 nan 8.210 nan 0.000 0.472 379 P HA 0.039 nan 4.420 nan 0.000 0.265 379 P C 0.864 178.157 177.300 -0.012 0.000 1.187 379 P CA 0.573 63.669 63.100 -0.008 0.000 0.766 379 P CB 0.586 32.283 31.700 -0.005 0.000 0.820 380 G N 1.019 109.806 108.800 -0.020 0.000 2.148 380 G HA2 -0.239 3.721 3.960 -0.001 0.000 0.254 380 G HA3 -0.239 3.721 3.960 -0.001 0.000 0.254 380 G C 0.295 175.158 174.900 -0.062 0.000 0.981 380 G CA -0.008 45.075 45.100 -0.029 0.000 0.670 380 G HN 0.647 nan 8.290 nan 0.000 0.528 381 V N -0.274 119.582 119.914 -0.097 0.000 3.096 381 V HA 0.614 4.733 4.120 -0.001 0.000 0.306 381 V C 0.565 176.436 176.094 -0.371 0.000 1.088 381 V CA 0.714 62.885 62.300 -0.215 0.000 1.129 381 V CB 1.463 33.153 31.823 -0.221 0.000 1.014 381 V HN 0.400 nan 8.190 nan 0.000 0.486 382 K N 3.774 123.832 120.400 -0.570 0.000 2.535 382 K HA 0.497 4.817 4.320 -0.001 0.000 0.251 382 K C -1.802 174.220 176.600 -0.964 0.000 0.942 382 K CA -0.317 55.567 56.287 -0.671 0.000 0.798 382 K CB 1.618 33.869 32.500 -0.415 0.000 1.267 382 K HN 0.480 nan 8.250 nan 0.000 0.434 383 F N 3.393 123.041 119.950 -0.503 0.000 2.427 383 F HA 0.445 4.971 4.527 -0.001 0.000 0.346 383 F C -0.582 174.915 175.800 -0.505 0.000 1.120 383 F CA -0.555 57.253 58.000 -0.320 0.000 1.033 383 F CB 0.855 39.846 39.000 -0.015 0.000 1.126 383 F HN 0.309 nan 8.300 nan 0.000 0.462 384 Y N 2.871 123.304 120.300 0.222 0.000 2.391 384 Y HA 0.537 5.087 4.550 -0.001 0.000 0.341 384 Y C -0.541 175.497 175.900 0.230 0.000 0.965 384 Y CA -1.463 56.704 58.100 0.111 0.000 1.067 384 Y CB 1.030 39.520 38.460 0.050 0.000 1.199 384 Y HN 0.316 nan 8.280 nan 0.000 0.450 385 F N 3.935 123.948 119.950 0.106 0.000 2.370 385 F HA 0.310 4.837 4.527 -0.001 0.000 0.319 385 F C -1.175 174.636 175.800 0.018 0.000 1.129 385 F CA -3.049 54.937 58.000 -0.022 0.000 1.109 385 F CB 0.450 39.387 39.000 -0.104 0.000 1.262 385 F HN 0.308 nan 8.300 nan 0.000 0.534 386 P HA -0.185 nan 4.420 nan 0.000 0.216 386 P C 1.030 178.379 177.300 0.081 0.000 1.150 386 P CA 1.690 64.839 63.100 0.081 0.000 0.843 386 P CB 0.238 31.951 31.700 0.023 0.000 0.787 387 E N 0.145 120.407 120.200 0.103 0.000 2.153 387 E HA -0.157 4.192 4.350 -0.001 0.000 0.194 387 E C 1.495 178.141 176.600 0.077 0.000 0.988 387 E CA 0.986 57.435 56.400 0.082 0.000 0.811 387 E CB -0.610 29.144 29.700 0.091 0.000 0.746 387 E HN 0.378 nan 8.360 nan 0.000 0.466 388 D N 0.754 121.219 120.400 0.109 0.000 2.264 388 D HA -0.065 4.575 4.640 -0.001 0.000 0.208 388 D C 1.190 177.518 176.300 0.046 0.000 0.966 388 D CA 0.824 54.889 54.000 0.109 0.000 0.864 388 D CB -0.111 40.816 40.800 0.212 0.000 0.933 388 D HN 0.242 nan 8.370 nan 0.000 0.499 389 T N -1.368 113.186 114.554 0.001 0.000 2.912 389 T HA 0.480 4.830 4.350 -0.001 0.000 0.280 389 T C -2.504 172.169 174.700 -0.044 0.000 0.989 389 T CA -1.871 60.175 62.100 -0.090 0.000 0.995 389 T CB 1.487 70.281 68.868 -0.123 0.000 1.077 389 T HN -0.295 nan 8.240 nan 0.000 0.531 390 P HA 0.061 nan 4.420 nan 0.000 0.271 390 P C 0.696 177.991 177.300 -0.008 0.000 1.228 390 P CA -0.145 62.940 63.100 -0.025 0.000 0.797 390 P CB 0.387 32.071 31.700 -0.027 0.000 0.914 391 E N 1.069 121.270 120.200 0.002 0.000 2.400 391 E HA -0.093 4.256 4.350 -0.001 0.000 0.195 391 E C 0.719 177.327 176.600 0.013 0.000 1.012 391 E CA 0.414 56.820 56.400 0.009 0.000 0.875 391 E CB -0.077 29.630 29.700 0.011 0.000 0.859 391 E HN 0.410 nan 8.360 nan 0.000 0.498 392 N N 0.579 119.287 118.700 0.014 0.000 2.336 392 N HA -0.078 4.661 4.740 -0.001 0.000 0.189 392 N C 0.383 175.908 175.510 0.025 0.000 1.113 392 N CA 0.144 53.206 53.050 0.021 0.000 0.858 392 N CB -0.282 38.220 38.487 0.025 0.000 0.970 392 N HN -0.077 nan 8.380 nan 0.000 0.471 393 S N -0.527 115.185 115.700 0.019 0.000 2.559 393 S HA 0.042 4.512 4.470 -0.001 0.000 0.282 393 S C 1.463 176.088 174.600 0.042 0.000 1.336 393 S CA -0.432 57.785 58.200 0.027 0.000 1.037 393 S CB 0.869 64.075 63.200 0.009 0.000 0.853 393 S HN -0.031 nan 8.310 nan 0.000 0.523 394 V N 2.736 122.689 119.914 0.065 0.000 2.427 394 V HA -0.115 4.004 4.120 -0.001 0.000 0.248 394 V C 2.358 178.485 176.094 0.055 0.000 1.051 394 V CA 1.603 63.920 62.300 0.027 0.000 1.048 394 V CB -1.228 30.581 31.823 -0.024 0.000 0.666 394 V HN 0.854 nan 8.190 nan 0.000 0.456 395 L N 0.591 121.961 121.223 0.245 0.000 2.043 395 L HA -0.176 4.163 4.340 -0.001 0.000 0.212 395 L C 2.484 179.407 176.870 0.087 0.000 1.075 395 L CA 1.982 56.977 54.840 0.259 0.000 0.752 395 L CB -0.748 41.427 42.059 0.194 0.000 0.891 395 L HN 0.153 nan 8.230 nan 0.000 0.432 396 R N -1.490 119.042 120.500 0.053 0.000 2.293 396 R HA -0.075 4.265 4.340 -0.001 0.000 0.219 396 R C 1.827 178.129 176.300 0.003 0.000 1.091 396 R CA 1.020 57.135 56.100 0.024 0.000 1.004 396 R CB -0.003 30.309 30.300 0.020 0.000 0.865 396 R HN 0.368 nan 8.270 nan 0.000 0.469 397 V N -0.542 119.366 119.914 -0.009 0.000 2.672 397 V HA -0.040 4.080 4.120 -0.001 0.000 0.242 397 V C 1.844 177.898 176.094 -0.066 0.000 1.059 397 V CA 1.081 63.356 62.300 -0.041 0.000 1.081 397 V CB -0.146 31.649 31.823 -0.046 0.000 0.752 397 V HN 0.230 nan 8.190 nan 0.000 0.472 398 R N 0.311 120.766 120.500 -0.076 0.000 2.276 398 R HA -0.086 4.253 4.340 -0.001 0.000 0.203 398 R C 1.743 178.030 176.300 -0.022 0.000 1.017 398 R CA 1.100 57.144 56.100 -0.094 0.000 1.010 398 R CB -0.249 29.931 30.300 -0.199 0.000 0.900 398 R HN 0.547 nan 8.270 nan 0.000 0.469 399 D N 1.367 121.770 120.400 0.006 0.000 2.144 399 D HA -0.147 4.493 4.640 -0.001 0.000 0.199 399 D C 1.385 177.722 176.300 0.062 0.000 0.984 399 D CA 1.380 55.415 54.000 0.058 0.000 0.834 399 D CB 0.304 41.125 40.800 0.034 0.000 0.955 399 D HN 0.108 nan 8.370 nan 0.000 0.465 400 K N -0.865 119.511 120.400 -0.040 0.000 2.076 400 K HA -0.002 4.317 4.320 -0.001 0.000 0.204 400 K C 2.158 178.649 176.600 -0.182 0.000 1.051 400 K CA 1.336 57.541 56.287 -0.136 0.000 0.949 400 K CB -0.137 32.278 32.500 -0.142 0.000 0.726 400 K HN 0.036 nan 8.250 nan 0.000 0.443 401 T N 1.597 116.082 114.554 -0.116 0.000 2.833 401 T HA -0.066 4.284 4.350 -0.001 0.000 0.269 401 T C 1.421 176.115 174.700 -0.009 0.000 1.054 401 T CA 1.173 63.224 62.100 -0.082 0.000 1.135 401 T CB -0.050 68.794 68.868 -0.040 0.000 0.869 401 T HN 0.191 nan 8.240 nan 0.000 0.466 402 M N 1.350 120.972 119.600 0.037 0.000 2.549 402 M HA 0.200 4.680 4.480 -0.001 0.000 0.273 402 M C 1.135 177.480 176.300 0.075 0.000 1.213 402 M CA 0.172 55.577 55.300 0.175 0.000 0.976 402 M CB 0.107 32.865 32.600 0.263 0.000 1.457 402 M HN 0.307 nan 8.290 nan 0.000 0.485 403 Q N -0.764 118.844 119.800 -0.319 0.000 2.086 403 Q HA 0.386 4.726 4.340 -0.001 0.000 0.220 403 Q C 0.566 176.060 176.000 -0.843 0.000 0.792 403 Q CA 0.257 55.528 55.803 -0.887 0.000 1.062 403 Q CB 0.797 28.524 28.738 -1.684 0.000 1.198 403 Q HN 0.394 nan 8.270 nan 0.000 0.466 404 G N 1.458 110.019 108.800 -0.399 0.000 2.137 404 G HA2 -0.227 3.732 3.960 -0.001 0.000 0.237 404 G HA3 -0.227 3.732 3.960 -0.001 0.000 0.237 404 G C -0.130 174.552 174.900 -0.363 0.000 1.002 404 G CA 0.177 45.098 45.100 -0.299 0.000 0.702 404 G HN 0.432 nan 8.290 nan 0.000 0.515 405 I N 2.234 122.552 120.570 -0.420 0.000 2.321 405 I HA 0.316 4.486 4.170 -0.001 0.000 0.291 405 I C -1.823 174.020 176.117 -0.456 0.000 0.998 405 I CA -2.530 58.455 61.300 -0.525 0.000 1.227 405 I CB 1.731 39.461 38.000 -0.451 0.000 1.368 405 I HN -0.108 nan 8.210 nan 0.000 0.466 406 P HA 0.085 nan 4.420 nan 0.000 0.271 406 P C -0.358 176.638 177.300 -0.507 0.000 1.226 406 P CA 0.066 62.853 63.100 -0.521 0.000 0.765 406 P CB 0.978 32.328 31.700 -0.583 0.000 0.835 407 T N 1.009 115.270 114.554 -0.489 0.000 2.888 407 T HA 0.530 4.880 4.350 -0.001 0.000 0.288 407 T C -0.322 174.024 174.700 -0.591 0.000 1.063 407 T CA -0.392 61.498 62.100 -0.351 0.000 1.010 407 T CB 1.235 69.999 68.868 -0.173 0.000 1.214 407 T HN 0.260 nan 8.240 nan 0.000 0.533 408 Y N -0.921 119.339 120.300 -0.066 0.000 2.610 408 Y HA 0.295 4.845 4.550 -0.001 0.000 0.254 408 Y C 1.760 177.593 175.900 -0.111 0.000 1.110 408 Y CA -0.667 57.376 58.100 -0.095 0.000 1.238 408 Y CB 0.547 38.979 38.460 -0.046 0.000 1.322 408 Y HN 0.614 nan 8.280 nan 0.000 0.547 409 D N 1.278 121.695 120.400 0.029 0.000 2.149 409 D HA -0.177 4.463 4.640 -0.001 0.000 0.198 409 D C 1.120 177.409 176.300 -0.019 0.000 0.990 409 D CA 1.335 55.342 54.000 0.011 0.000 0.839 409 D CB 0.063 40.869 40.800 0.010 0.000 0.948 409 D HN 0.527 nan 8.370 nan 0.000 0.460 410 E N 0.494 120.670 120.200 -0.040 0.000 2.515 410 E HA -0.045 4.305 4.350 -0.001 0.000 0.201 410 E C 2.153 178.614 176.600 -0.232 0.000 1.071 410 E CA -0.116 56.279 56.400 -0.008 0.000 0.880 410 E CB 0.002 29.736 29.700 0.057 0.000 0.828 410 E HN 0.367 nan 8.360 nan 0.000 0.540 411 L N 0.790 121.852 121.223 -0.269 0.000 2.275 411 L HA -0.143 4.197 4.340 -0.001 0.000 0.215 411 L C 2.442 179.085 176.870 -0.379 0.000 1.119 411 L CA 0.803 55.397 54.840 -0.409 0.000 0.790 411 L CB -0.056 41.817 42.059 -0.310 0.000 0.919 411 L HN -0.040 nan 8.230 nan 0.000 0.443 412 K N 0.168 120.455 120.400 -0.187 0.000 2.283 412 K HA -0.182 4.137 4.320 -0.001 0.000 0.202 412 K C 1.872 178.489 176.600 0.028 0.000 1.048 412 K CA 1.249 57.501 56.287 -0.059 0.000 0.948 412 K CB -0.185 32.333 32.500 0.030 0.000 0.742 412 K HN 0.606 nan 8.250 nan 0.000 0.458 413 W N 0.344 121.658 121.300 0.023 0.000 2.519 413 W HA -0.049 4.611 4.660 -0.001 0.000 0.266 413 W C 1.229 177.786 176.519 0.063 0.000 1.253 413 W CA 0.137 57.514 57.345 0.053 0.000 1.274 413 W CB -0.831 28.631 29.460 0.002 0.000 1.114 413 W HN -0.141 nan 8.180 nan 0.000 0.596 414 I N 1.808 122.207 120.570 -0.285 0.000 2.530 414 I HA -0.262 3.908 4.170 -0.001 0.000 0.257 414 I C 1.042 177.148 176.117 -0.019 0.000 1.179 414 I CA 1.476 62.619 61.300 -0.263 0.000 1.440 414 I CB -0.702 36.951 38.000 -0.578 0.000 1.087 414 I HN -0.160 nan 8.210 nan 0.000 0.440 415 D N 0.128 120.550 120.400 0.035 0.000 2.352 415 D HA -0.085 4.555 4.640 -0.001 0.000 0.236 415 D C 1.436 177.839 176.300 0.172 0.000 1.148 415 D CA 0.054 54.089 54.000 0.058 0.000 0.844 415 D CB -0.211 40.600 40.800 0.019 0.000 0.933 415 D HN 0.527 nan 8.370 nan 0.000 0.507 416 W N 1.091 122.442 121.300 0.085 0.000 2.611 416 W HA 0.002 4.662 4.660 -0.001 0.000 0.251 416 W C -0.707 175.858 176.519 0.076 0.000 1.265 416 W CA 0.652 58.065 57.345 0.113 0.000 1.295 416 W CB 0.359 29.911 29.460 0.154 0.000 1.129 416 W HN -0.059 nan 8.180 nan 0.000 0.630 417 L N 0.468 121.716 121.223 0.043 0.000 2.445 417 L HA 0.242 4.582 4.340 -0.001 0.000 0.262 417 L C -1.156 175.684 176.870 -0.049 0.000 0.974 417 L CA -2.226 52.577 54.840 -0.062 0.000 0.822 417 L CB 1.518 43.582 42.059 0.009 0.000 1.339 417 L HN -0.423 nan 8.230 nan 0.000 0.409 418 P HA -0.261 nan 4.420 nan 0.000 0.220 418 P C -0.263 177.002 177.300 -0.057 0.000 0.849 418 P CA 1.586 64.655 63.100 -0.052 0.000 1.048 418 P CB -0.029 31.649 31.700 -0.037 0.000 0.727 419 N N 0.351 119.015 118.700 -0.061 0.000 2.767 419 N HA 0.231 4.971 4.740 -0.001 0.000 0.238 419 N C 0.432 175.841 175.510 -0.168 0.000 1.083 419 N CA -0.012 52.981 53.050 -0.095 0.000 0.964 419 N CB 0.445 38.894 38.487 -0.064 0.000 1.252 419 N HN 0.136 nan 8.380 nan 0.000 0.512 420 G N 0.738 109.432 108.800 -0.178 0.000 2.441 420 G HA2 0.472 4.432 3.960 -0.001 0.000 0.243 420 G HA3 0.472 4.432 3.960 -0.001 0.000 0.243 420 G C -0.450 174.210 174.900 -0.400 0.000 1.281 420 G CA -0.262 44.702 45.100 -0.226 0.000 0.854 420 G HN 0.537 nan 8.290 nan 0.000 0.560 421 A N 2.559 125.078 122.820 -0.502 0.000 2.547 421 A HA 0.713 5.033 4.320 -0.001 0.000 0.297 421 A C -0.715 176.732 177.584 -0.229 0.000 1.056 421 A CA -0.846 50.901 52.037 -0.484 0.000 0.688 421 A CB 1.441 19.851 19.000 -0.983 0.000 1.282 421 A HN 1.231 nan 8.150 nan 0.000 0.400 422 H N 0.352 119.488 119.070 0.109 0.000 2.616 422 H HA 0.889 5.445 4.556 -0.001 0.000 0.353 422 H C -1.503 173.725 175.328 -0.167 0.000 1.170 422 H CA -2.236 53.746 56.048 -0.109 0.000 1.212 422 H CB 1.408 31.034 29.762 -0.227 0.000 1.653 422 H HN 0.901 nan 8.280 nan 0.000 0.537 423 L N 1.800 122.890 121.223 -0.222 0.000 2.562 423 L HA 0.400 4.739 4.340 -0.001 0.000 0.266 423 L C -2.051 174.619 176.870 -0.334 0.000 0.949 423 L CA -0.425 54.280 54.840 -0.224 0.000 0.879 423 L CB 1.138 43.280 42.059 0.140 0.000 1.278 423 L HN 0.491 nan 8.230 nan 0.000 0.404 424 F N 5.213 125.103 119.950 -0.100 0.000 2.411 424 F HA 0.421 4.948 4.527 -0.001 0.000 0.350 424 F C -0.218 175.684 175.800 0.169 0.000 1.114 424 F CA -0.223 57.764 58.000 -0.022 0.000 1.135 424 F CB 1.097 40.004 39.000 -0.155 0.000 1.120 424 F HN 0.365 nan 8.300 nan 0.000 0.495 425 F N 2.895 122.946 119.950 0.167 0.000 2.361 425 F HA 0.481 5.007 4.527 -0.001 0.000 0.364 425 F C -0.153 175.707 175.800 0.101 0.000 1.120 425 F CA -0.729 57.318 58.000 0.079 0.000 1.102 425 F CB 0.858 39.825 39.000 -0.056 0.000 1.183 425 F HN 0.326 nan 8.300 nan 0.000 0.476 426 S N 7.959 123.453 115.700 -0.343 0.000 2.143 426 S HA 0.289 4.759 4.470 -0.001 0.000 0.188 426 S C -2.685 171.743 174.600 -0.287 0.000 1.431 426 S CA -1.118 56.975 58.200 -0.179 0.000 1.253 426 S CB -0.152 63.207 63.200 0.264 0.000 1.137 426 S HN 0.470 nan 8.310 nan 0.000 0.457 427 P HA 0.208 nan 4.420 nan 0.000 0.271 427 P C -0.599 176.590 177.300 -0.184 0.000 1.244 427 P CA -0.283 62.609 63.100 -0.346 0.000 0.793 427 P CB 0.666 32.125 31.700 -0.402 0.000 0.984 428 I N -0.066 120.440 120.570 -0.106 0.000 2.433 428 I HA 0.504 4.674 4.170 -0.001 0.000 0.292 428 I C 0.426 176.505 176.117 -0.064 0.000 1.001 428 I CA -0.966 60.274 61.300 -0.101 0.000 1.119 428 I CB 1.116 39.060 38.000 -0.093 0.000 1.289 428 I HN 0.406 nan 8.210 nan 0.000 0.438 429 A N 6.069 128.855 122.820 -0.057 0.000 2.354 429 A HA 0.639 4.958 4.320 -0.001 0.000 0.321 429 A C -0.066 177.538 177.584 0.033 0.000 1.125 429 A CA -0.755 51.239 52.037 -0.071 0.000 0.799 429 A CB 1.177 20.085 19.000 -0.154 0.000 1.293 429 A HN 0.680 nan 8.150 nan 0.000 0.452 430 K N -0.331 120.123 120.400 0.089 0.000 2.397 430 K HA 0.242 4.562 4.320 -0.001 0.000 0.265 430 K C -0.020 176.566 176.600 -0.022 0.000 0.982 430 K CA 0.073 56.394 56.287 0.057 0.000 0.931 430 K CB 0.481 33.032 32.500 0.085 0.000 0.943 430 K HN 0.334 nan 8.250 nan 0.000 0.501 431 V N 2.502 122.399 119.914 -0.028 0.000 3.099 431 V HA 0.004 4.124 4.120 -0.001 0.000 0.387 431 V C -0.047 175.987 176.094 -0.100 0.000 1.358 431 V CA 0.021 62.275 62.300 -0.076 0.000 1.528 431 V CB -0.894 30.903 31.823 -0.044 0.000 1.342 431 V HN 0.683 nan 8.190 nan 0.000 0.513 432 S N -0.184 115.455 115.700 -0.102 0.000 2.500 432 S HA 0.613 5.082 4.470 -0.001 0.000 0.301 432 S C 1.263 175.775 174.600 -0.148 0.000 1.092 432 S CA 0.083 58.222 58.200 -0.102 0.000 1.030 432 S CB 1.984 65.156 63.200 -0.046 0.000 1.031 432 S HN 0.390 nan 8.310 nan 0.000 0.483 433 G N 1.977 110.676 108.800 -0.168 0.000 2.440 433 G HA2 -0.217 3.743 3.960 -0.001 0.000 0.218 433 G HA3 -0.217 3.743 3.960 -0.001 0.000 0.218 433 G C 1.069 175.889 174.900 -0.133 0.000 1.154 433 G CA 1.063 46.043 45.100 -0.201 0.000 0.767 433 G HN 0.900 nan 8.290 nan 0.000 0.552 434 E N 0.327 120.486 120.200 -0.069 0.000 2.038 434 E HA -0.216 4.134 4.350 -0.001 0.000 0.195 434 E C 2.028 178.649 176.600 0.036 0.000 1.000 434 E CA 1.583 57.976 56.400 -0.012 0.000 0.803 434 E CB -0.245 29.456 29.700 0.002 0.000 0.750 434 E HN 0.416 nan 8.360 nan 0.000 0.448 435 D N -0.600 119.831 120.400 0.051 0.000 2.144 435 D HA -0.073 4.567 4.640 -0.001 0.000 0.200 435 D C 1.816 178.184 176.300 0.112 0.000 0.978 435 D CA 1.467 55.570 54.000 0.172 0.000 0.833 435 D CB -0.090 40.824 40.800 0.190 0.000 0.961 435 D HN 0.297 nan 8.370 nan 0.000 0.470 436 A N 0.090 122.864 122.820 -0.077 0.000 1.930 436 A HA -0.127 4.193 4.320 -0.001 0.000 0.217 436 A C 2.135 179.689 177.584 -0.049 0.000 1.175 436 A CA 1.113 53.019 52.037 -0.217 0.000 0.627 436 A CB -0.467 18.159 19.000 -0.623 0.000 0.815 436 A HN 0.209 nan 8.150 nan 0.000 0.443 437 M N -1.213 118.380 119.600 -0.012 0.000 2.080 437 M HA -0.143 4.337 4.480 -0.001 0.000 0.260 437 M C 2.339 178.761 176.300 0.203 0.000 1.068 437 M CA 1.897 57.277 55.300 0.133 0.000 1.109 437 M CB -1.115 31.538 32.600 0.088 0.000 1.342 437 M HN 0.616 nan 8.290 nan 0.000 0.405 438 M N -0.273 119.448 119.600 0.201 0.000 2.082 438 M HA -0.309 4.171 4.480 -0.001 0.000 0.258 438 M C 2.264 178.776 176.300 0.354 0.000 1.069 438 M CA 1.910 57.395 55.300 0.309 0.000 1.102 438 M CB -0.255 32.606 32.600 0.435 0.000 1.336 438 M HN 0.283 nan 8.290 nan 0.000 0.404 439 Q N -1.062 118.811 119.800 0.122 0.000 2.061 439 Q HA -0.257 4.082 4.340 -0.001 0.000 0.204 439 Q C 1.964 178.081 176.000 0.195 0.000 0.984 439 Q CA 2.147 57.824 55.803 -0.210 0.000 0.846 439 Q CB -0.389 28.006 28.738 -0.571 0.000 0.902 439 Q HN 0.634 nan 8.270 nan 0.000 0.421 440 Y N 0.458 120.854 120.300 0.159 0.000 2.040 440 Y HA -0.322 4.228 4.550 -0.001 0.000 0.275 440 Y C 2.063 177.958 175.900 -0.008 0.000 1.171 440 Y CA 1.776 59.943 58.100 0.111 0.000 1.123 440 Y CB -0.949 37.597 38.460 0.145 0.000 0.963 440 Y HN 0.199 nan 8.280 nan 0.000 0.493 441 A N -0.944 121.819 122.820 -0.094 0.000 1.972 441 A HA -0.132 4.188 4.320 -0.001 0.000 0.219 441 A C 2.449 179.996 177.584 -0.062 0.000 1.169 441 A CA 1.946 53.880 52.037 -0.172 0.000 0.635 441 A CB -1.264 17.714 19.000 -0.037 0.000 0.810 441 A HN 0.366 nan 8.150 nan 0.000 0.446 442 V N -0.524 119.429 119.914 0.065 0.000 2.379 442 V HA -0.175 3.945 4.120 -0.001 0.000 0.245 442 V C 2.725 178.852 176.094 0.055 0.000 1.044 442 V CA 2.409 64.774 62.300 0.109 0.000 1.036 442 V CB -0.923 31.064 31.823 0.274 0.000 0.664 442 V HN 0.622 nan 8.190 nan 0.000 0.453 443 T N -0.767 113.827 114.554 0.067 0.000 2.809 443 T HA -0.158 4.192 4.350 -0.001 0.000 0.260 443 T C 1.949 176.671 174.700 0.037 0.000 1.039 443 T CA 1.335 63.485 62.100 0.082 0.000 1.141 443 T CB -0.137 68.885 68.868 0.257 0.000 0.869 443 T HN 0.350 nan 8.240 nan 0.000 0.437 444 K N 1.264 121.565 120.400 -0.164 0.000 2.063 444 K HA -0.162 4.158 4.320 -0.001 0.000 0.208 444 K C 2.354 178.894 176.600 -0.099 0.000 1.048 444 K CA 1.393 57.519 56.287 -0.268 0.000 0.928 444 K CB -0.079 31.978 32.500 -0.738 0.000 0.713 444 K HN 0.183 nan 8.250 nan 0.000 0.442 445 K N 0.184 120.532 120.400 -0.087 0.000 2.009 445 K HA -0.154 4.166 4.320 -0.001 0.000 0.210 445 K C 2.116 178.735 176.600 0.031 0.000 1.049 445 K CA 1.404 57.678 56.287 -0.022 0.000 0.929 445 K CB 0.056 32.550 32.500 -0.011 0.000 0.714 445 K HN 0.020 nan 8.250 nan 0.000 0.440 446 R N 0.334 120.848 120.500 0.023 0.000 2.115 446 R HA -0.058 4.282 4.340 -0.001 0.000 0.230 446 R C 2.433 178.791 176.300 0.096 0.000 1.111 446 R CA 1.009 57.138 56.100 0.047 0.000 0.976 446 R CB -1.252 28.982 30.300 -0.110 0.000 0.870 446 R HN 0.372 nan 8.270 nan 0.000 0.445 447 C N 0.788 120.131 119.300 0.071 0.000 2.413 447 C HA -0.111 4.348 4.460 -0.001 0.000 0.276 447 C C 2.677 177.741 174.990 0.124 0.000 1.236 447 C CA 0.736 59.818 59.018 0.108 0.000 1.735 447 C CB -0.701 27.135 27.740 0.161 0.000 2.031 447 C HN 0.441 nan 8.230 nan 0.000 0.474 448 Q N 0.543 120.404 119.800 0.102 0.000 2.172 448 Q HA -0.096 4.243 4.340 -0.001 0.000 0.200 448 Q C 2.048 178.106 176.000 0.097 0.000 0.964 448 Q CA 1.302 57.160 55.803 0.092 0.000 0.855 448 Q CB -0.249 28.527 28.738 0.063 0.000 0.918 448 Q HN 0.667 nan 8.270 nan 0.000 0.444 449 E N -0.423 119.853 120.200 0.125 0.000 2.077 449 E HA -0.152 4.198 4.350 -0.001 0.000 0.193 449 E C 1.553 178.234 176.600 0.135 0.000 0.989 449 E CA 1.049 57.532 56.400 0.138 0.000 0.800 449 E CB -0.160 29.681 29.700 0.236 0.000 0.746 449 E HN 0.354 nan 8.360 nan 0.000 0.452 450 A N 0.525 123.490 122.820 0.241 0.000 2.235 450 A HA 0.181 4.500 4.320 -0.001 0.000 0.208 450 A C 1.699 179.356 177.584 0.123 0.000 1.172 450 A CA 0.792 52.957 52.037 0.214 0.000 0.786 450 A CB -0.502 18.681 19.000 0.306 0.000 0.804 450 A HN 0.337 nan 8.150 nan 0.000 0.479 451 G N -1.044 107.821 108.800 0.108 0.000 2.221 451 G HA2 -0.215 3.745 3.960 -0.001 0.000 0.265 451 G HA3 -0.215 3.745 3.960 -0.001 0.000 0.265 451 G C -0.029 174.943 174.900 0.120 0.000 1.041 451 G CA 0.526 45.684 45.100 0.096 0.000 0.807 451 G HN 0.444 nan 8.290 nan 0.000 0.502 452 L N 0.012 121.317 121.223 0.137 0.000 2.344 452 L HA 0.416 4.756 4.340 -0.001 0.000 0.272 452 L C 0.372 177.342 176.870 0.166 0.000 1.035 452 L CA -0.988 53.948 54.840 0.159 0.000 0.807 452 L CB 0.955 43.100 42.059 0.143 0.000 1.237 452 L HN 0.088 nan 8.230 nan 0.000 0.442 453 D N 1.079 121.604 120.400 0.209 0.000 2.362 453 D HA 0.079 4.719 4.640 -0.001 0.000 0.242 453 D C -0.584 175.771 176.300 0.092 0.000 1.132 453 D CA 0.136 54.248 54.000 0.187 0.000 0.907 453 D CB 1.416 42.379 40.800 0.271 0.000 1.195 453 D HN 0.156 nan 8.370 nan 0.000 0.429 454 F N 1.923 121.827 119.950 -0.078 0.000 2.427 454 F HA 0.359 4.886 4.527 -0.001 0.000 0.352 454 F C -0.377 175.171 175.800 -0.420 0.000 1.100 454 F CA -0.237 57.652 58.000 -0.185 0.000 1.191 454 F CB 0.289 39.208 39.000 -0.136 0.000 1.128 454 F HN 0.142 nan 8.300 nan 0.000 0.533 455 I N 5.638 125.469 120.570 -1.233 0.000 2.548 455 I HA 0.681 4.850 4.170 -0.001 0.000 0.287 455 I C -0.175 175.294 176.117 -1.081 0.000 1.103 455 I CA -0.525 60.155 61.300 -1.033 0.000 1.049 455 I CB 1.851 39.419 38.000 -0.719 0.000 1.232 455 I HN 0.777 nan 8.210 nan 0.000 0.429 456 G N 2.978 111.350 108.800 -0.713 0.000 2.601 456 G HA2 0.713 4.672 3.960 -0.001 0.000 0.291 456 G HA3 0.713 4.672 3.960 -0.001 0.000 0.291 456 G C -1.454 173.400 174.900 -0.076 0.000 1.456 456 G CA -0.517 44.373 45.100 -0.349 0.000 0.804 456 G HN 0.406 nan 8.290 nan 0.000 0.499 457 T N -0.198 114.300 114.554 -0.093 0.000 2.908 457 T HA 0.667 5.017 4.350 -0.001 0.000 0.290 457 T C -1.170 173.406 174.700 -0.207 0.000 1.034 457 T CA -0.444 61.629 62.100 -0.046 0.000 1.010 457 T CB 1.725 70.570 68.868 -0.038 0.000 1.068 457 T HN 0.295 nan 8.240 nan 0.000 0.481 458 F N 2.110 122.072 119.950 0.020 0.000 2.415 458 F HA 0.469 4.996 4.527 -0.001 0.000 0.348 458 F C 1.169 176.981 175.800 0.019 0.000 1.119 458 F CA -0.821 57.153 58.000 -0.045 0.000 1.069 458 F CB 1.404 40.299 39.000 -0.174 0.000 1.124 458 F HN 0.581 nan 8.300 nan 0.000 0.472 459 T N 0.332 115.002 114.554 0.194 0.000 2.749 459 T HA 0.517 4.866 4.350 -0.001 0.000 0.287 459 T C -0.448 174.330 174.700 0.130 0.000 0.970 459 T CA -0.848 61.339 62.100 0.145 0.000 0.980 459 T CB 0.867 69.797 68.868 0.103 0.000 0.924 459 T HN 0.274 nan 8.240 nan 0.000 0.456 460 V N 4.330 124.333 119.914 0.148 0.000 2.364 460 V HA 0.454 4.573 4.120 -0.001 0.000 0.252 460 V C 1.370 177.521 176.094 0.095 0.000 1.075 460 V CA -0.411 61.967 62.300 0.130 0.000 1.033 460 V CB -0.521 31.409 31.823 0.179 0.000 1.116 460 V HN 1.119 nan 8.190 nan 0.000 0.488 461 G N 2.805 111.649 108.800 0.072 0.000 2.562 461 G HA2 0.372 4.332 3.960 -0.001 0.000 0.275 461 G HA3 0.372 4.332 3.960 -0.001 0.000 0.275 461 G C 0.684 175.625 174.900 0.068 0.000 1.196 461 G CA -0.620 44.515 45.100 0.058 0.000 0.908 461 G HN 0.593 nan 8.290 nan 0.000 0.524 462 M N -0.231 119.407 119.600 0.063 0.000 2.088 462 M HA -0.089 4.390 4.480 -0.001 0.000 0.256 462 M C 2.176 178.505 176.300 0.048 0.000 1.071 462 M CA 1.898 57.233 55.300 0.059 0.000 1.097 462 M CB -0.062 32.570 32.600 0.055 0.000 1.315 462 M HN 0.528 nan 8.290 nan 0.000 0.406 463 R N -0.794 119.735 120.500 0.048 0.000 2.549 463 R HA 0.182 4.522 4.340 -0.001 0.000 0.344 463 R C -0.778 175.548 176.300 0.043 0.000 0.979 463 R CA 0.051 56.173 56.100 0.038 0.000 1.140 463 R CB 0.621 30.943 30.300 0.036 0.000 1.377 463 R HN 0.430 nan 8.270 nan 0.000 0.541 464 E N -0.026 120.210 120.200 0.060 0.000 2.343 464 E HA 0.451 4.801 4.350 -0.001 0.000 0.270 464 E C -0.839 175.820 176.600 0.097 0.000 0.895 464 E CA -0.754 55.690 56.400 0.074 0.000 0.767 464 E CB 1.605 31.358 29.700 0.089 0.000 1.248 464 E HN -0.146 nan 8.360 nan 0.000 0.440 465 M N 2.166 121.825 119.600 0.097 0.000 2.197 465 M HA 0.319 4.799 4.480 -0.001 0.000 0.301 465 M C -1.385 175.027 176.300 0.187 0.000 0.987 465 M CA -0.857 54.534 55.300 0.152 0.000 0.921 465 M CB 1.678 34.338 32.600 0.100 0.000 1.569 465 M HN 0.616 nan 8.290 nan 0.000 0.431 466 H N 1.962 121.016 119.070 -0.025 0.000 2.819 466 H HA 0.158 4.713 4.556 -0.001 0.000 0.303 466 H C -0.349 174.986 175.328 0.011 0.000 1.058 466 H CA 0.361 56.344 56.048 -0.109 0.000 1.471 466 H CB 0.044 29.621 29.762 -0.308 0.000 1.480 466 H HN 0.323 nan 8.280 nan 0.000 0.517 467 H N 5.121 124.158 119.070 -0.055 0.000 2.724 467 H HA 0.154 4.709 4.556 -0.001 0.000 0.278 467 H C -0.630 174.588 175.328 -0.183 0.000 1.159 467 H CA -1.206 54.715 56.048 -0.213 0.000 1.254 467 H CB -0.223 29.410 29.762 -0.214 0.000 1.412 467 H HN 0.436 nan 8.280 nan 0.000 0.488 468 I N 7.251 127.860 120.570 0.064 0.000 2.260 468 I HA 0.024 4.194 4.170 -0.001 0.000 0.297 468 I C 0.232 176.335 176.117 -0.023 0.000 1.143 468 I CA -0.498 60.810 61.300 0.013 0.000 1.271 468 I CB -0.136 37.843 38.000 -0.036 0.000 1.461 468 I HN 0.229 nan 8.210 nan 0.000 0.530 469 V N 5.985 125.852 119.914 -0.078 0.000 2.397 469 V HA 0.015 4.135 4.120 -0.001 0.000 0.262 469 V C 0.480 176.555 176.094 -0.031 0.000 1.047 469 V CA -0.235 61.977 62.300 -0.146 0.000 1.003 469 V CB 0.283 32.130 31.823 0.040 0.000 1.037 469 V HN 0.737 nan 8.190 nan 0.000 0.480 470 C N 7.170 126.353 119.300 -0.195 0.000 2.218 470 C HA 0.427 4.887 4.460 -0.001 0.000 0.353 470 C C 0.686 175.594 174.990 -0.138 0.000 1.070 470 C CA -0.913 58.026 59.018 -0.133 0.000 1.497 470 C CB -1.608 25.884 27.740 -0.415 0.000 1.951 470 C HN 0.673 nan 8.230 nan 0.000 0.493 471 I N 3.761 124.314 120.570 -0.028 0.000 2.347 471 I HA 0.178 4.348 4.170 -0.001 0.000 0.294 471 I C 0.473 176.729 176.117 0.230 0.000 1.090 471 I CA 0.484 61.828 61.300 0.073 0.000 1.314 471 I CB 0.365 38.408 38.000 0.072 0.000 1.423 471 I HN 0.505 nan 8.210 nan 0.000 0.503 472 V N 8.350 128.416 119.914 0.252 0.000 2.532 472 V HA 0.749 4.869 4.120 -0.001 0.000 0.295 472 V C -0.797 175.493 176.094 0.328 0.000 1.041 472 V CA -0.308 62.159 62.300 0.279 0.000 0.926 472 V CB 1.389 33.404 31.823 0.320 0.000 0.992 472 V HN 0.571 nan 8.190 nan 0.000 0.457 473 F N 2.616 122.648 119.950 0.138 0.000 2.641 473 F HA 0.559 5.085 4.527 -0.001 0.000 0.308 473 F C -0.833 175.009 175.800 0.070 0.000 1.105 473 F CA -1.281 56.781 58.000 0.102 0.000 0.964 473 F CB 1.281 40.334 39.000 0.088 0.000 1.294 473 F HN 0.475 nan 8.300 nan 0.000 0.442 474 N N 2.559 121.367 118.700 0.179 0.000 2.400 474 N HA 0.077 4.817 4.740 -0.001 0.000 0.267 474 N C 0.588 176.206 175.510 0.180 0.000 1.208 474 N CA -0.156 52.941 53.050 0.078 0.000 0.951 474 N CB 0.830 39.366 38.487 0.082 0.000 1.227 474 N HN 0.828 nan 8.380 nan 0.000 0.488 475 K N 1.652 122.065 120.400 0.022 0.000 2.585 475 K HA -0.046 4.273 4.320 -0.001 0.000 0.194 475 K C 0.467 177.227 176.600 0.266 0.000 1.037 475 K CA 1.170 57.559 56.287 0.170 0.000 0.964 475 K CB 0.224 32.591 32.500 -0.221 0.000 0.787 475 K HN 0.301 nan 8.250 nan 0.000 0.488 476 K N 0.702 121.204 120.400 0.170 0.000 2.469 476 K HA 0.049 4.369 4.320 -0.001 0.000 0.204 476 K C -0.730 175.940 176.600 0.117 0.000 1.047 476 K CA -0.149 56.226 56.287 0.147 0.000 1.072 476 K CB 0.627 33.185 32.500 0.097 0.000 0.863 476 K HN 0.091 nan 8.250 nan 0.000 0.530 477 D N 1.320 121.803 120.400 0.138 0.000 2.454 477 D HA 0.137 4.776 4.640 -0.001 0.000 0.225 477 D C 0.816 177.186 176.300 0.116 0.000 1.081 477 D CA -0.292 53.774 54.000 0.110 0.000 0.864 477 D CB 0.890 41.752 40.800 0.104 0.000 1.040 477 D HN -0.035 nan 8.370 nan 0.000 0.517 478 L N 3.616 124.890 121.223 0.086 0.000 2.201 478 L HA -0.050 4.289 4.340 -0.001 0.000 0.212 478 L C 2.253 179.153 176.870 0.050 0.000 1.105 478 L CA 0.641 55.523 54.840 0.069 0.000 0.775 478 L CB -0.100 41.989 42.059 0.049 0.000 0.913 478 L HN 0.550 nan 8.230 nan 0.000 0.440 479 I N -0.862 119.734 120.570 0.044 0.000 2.252 479 I HA -0.306 3.863 4.170 -0.001 0.000 0.245 479 I C 2.605 178.746 176.117 0.039 0.000 1.102 479 I CA 1.387 62.704 61.300 0.029 0.000 1.385 479 I CB -0.250 37.762 38.000 0.021 0.000 1.064 479 I HN 0.398 nan 8.210 nan 0.000 0.414 480 Q N 1.047 120.886 119.800 0.064 0.000 2.137 480 Q HA -0.173 4.166 4.340 -0.001 0.000 0.198 480 Q C 2.168 178.200 176.000 0.053 0.000 0.960 480 Q CA 1.138 56.990 55.803 0.082 0.000 0.847 480 Q CB 0.194 29.009 28.738 0.127 0.000 0.915 480 Q HN 0.418 nan 8.270 nan 0.000 0.448 481 K N 0.048 120.478 120.400 0.051 0.000 2.063 481 K HA -0.167 4.152 4.320 -0.001 0.000 0.208 481 K C 2.125 178.687 176.600 -0.064 0.000 1.048 481 K CA 1.327 57.574 56.287 -0.066 0.000 0.928 481 K CB -0.080 32.441 32.500 0.034 0.000 0.713 481 K HN 0.122 nan 8.250 nan 0.000 0.442 482 R N 0.727 121.229 120.500 0.004 0.000 2.115 482 R HA -0.036 4.304 4.340 -0.001 0.000 0.230 482 R C 2.071 178.415 176.300 0.074 0.000 1.111 482 R CA 0.941 57.058 56.100 0.029 0.000 0.976 482 R CB 0.036 30.350 30.300 0.024 0.000 0.870 482 R HN 0.121 nan 8.270 nan 0.000 0.445 483 K N 0.187 120.627 120.400 0.067 0.000 2.228 483 K HA -0.020 4.300 4.320 -0.001 0.000 0.202 483 K C 1.934 178.637 176.600 0.173 0.000 1.051 483 K CA 0.710 57.075 56.287 0.130 0.000 0.960 483 K CB 0.227 32.775 32.500 0.080 0.000 0.743 483 K HN 0.025 nan 8.250 nan 0.000 0.458 484 V N 1.428 121.363 119.914 0.034 0.000 2.379 484 V HA -0.222 3.897 4.120 -0.001 0.000 0.245 484 V C 2.255 178.316 176.094 -0.055 0.000 1.044 484 V CA 1.499 63.764 62.300 -0.059 0.000 1.036 484 V CB -0.347 31.311 31.823 -0.275 0.000 0.664 484 V HN 0.324 nan 8.190 nan 0.000 0.453 485 Q N -1.321 118.484 119.800 0.008 0.000 2.045 485 Q HA -0.318 4.021 4.340 -0.001 0.000 0.206 485 Q C 2.056 178.116 176.000 0.101 0.000 0.991 485 Q CA 2.704 58.580 55.803 0.120 0.000 0.851 485 Q CB -0.327 28.493 28.738 0.137 0.000 0.911 485 Q HN 0.803 nan 8.270 nan 0.000 0.418 486 W N 1.032 122.319 121.300 -0.020 0.000 2.358 486 W HA -0.238 4.422 4.660 -0.001 0.000 0.303 486 W C 1.861 178.338 176.519 -0.071 0.000 1.208 486 W CA 1.436 58.765 57.345 -0.026 0.000 1.274 486 W CB -0.431 29.017 29.460 -0.021 0.000 1.138 486 W HN 0.214 nan 8.180 nan 0.000 0.515 487 L N 0.952 122.109 121.223 -0.110 0.000 1.990 487 L HA -0.229 4.110 4.340 -0.001 0.000 0.213 487 L C 2.524 179.063 176.870 -0.552 0.000 1.072 487 L CA 2.935 57.530 54.840 -0.409 0.000 0.755 487 L CB -1.118 40.876 42.059 -0.109 0.000 0.889 487 L HN 0.193 nan 8.230 nan 0.000 0.432 488 M N -0.261 119.061 119.600 -0.463 0.000 2.084 488 M HA -0.197 4.283 4.480 -0.001 0.000 0.259 488 M C 2.317 178.281 176.300 -0.560 0.000 1.072 488 M CA 1.844 56.768 55.300 -0.626 0.000 1.107 488 M CB -0.486 31.538 32.600 -0.960 0.000 1.299 488 M HN 0.164 nan 8.290 nan 0.000 0.413 489 R N -0.824 119.439 120.500 -0.395 0.000 2.226 489 R HA -0.148 4.192 4.340 -0.001 0.000 0.246 489 R C 1.822 177.948 176.300 -0.290 0.000 1.161 489 R CA 1.860 57.837 56.100 -0.205 0.000 0.997 489 R CB -1.251 29.021 30.300 -0.048 0.000 0.870 489 R HN 0.527 nan 8.270 nan 0.000 0.465 490 T N 0.887 115.133 114.554 -0.514 0.000 2.983 490 T HA 0.094 4.444 4.350 -0.001 0.000 0.250 490 T C 2.042 176.500 174.700 -0.403 0.000 1.037 490 T CA 0.217 62.004 62.100 -0.523 0.000 1.142 490 T CB -0.017 68.296 68.868 -0.926 0.000 0.876 490 T HN 0.068 nan 8.240 nan 0.000 0.455 491 L N 0.715 121.616 121.223 -0.538 0.000 2.042 491 L HA -0.060 4.280 4.340 -0.001 0.000 0.210 491 L C 2.395 179.112 176.870 -0.255 0.000 1.076 491 L CA 1.230 55.722 54.840 -0.579 0.000 0.749 491 L CB -0.641 40.610 42.059 -1.348 0.000 0.893 491 L HN 0.241 nan 8.230 nan 0.000 0.432 492 I N -0.089 120.381 120.570 -0.166 0.000 2.068 492 I HA -0.388 3.781 4.170 -0.001 0.000 0.238 492 I C 2.197 178.363 176.117 0.081 0.000 1.046 492 I CA 1.691 63.074 61.300 0.138 0.000 1.306 492 I CB -0.517 37.543 38.000 0.100 0.000 1.023 492 I HN 0.303 nan 8.210 nan 0.000 0.399 493 D N 0.643 121.040 120.400 -0.005 0.000 2.092 493 D HA -0.189 4.451 4.640 -0.001 0.000 0.193 493 D C 1.835 178.140 176.300 0.008 0.000 0.994 493 D CA 1.378 55.377 54.000 -0.001 0.000 0.828 493 D CB -0.578 40.207 40.800 -0.025 0.000 0.963 493 D HN 0.277 nan 8.370 nan 0.000 0.450 494 D N -0.247 120.146 120.400 -0.012 0.000 2.106 494 D HA -0.143 4.497 4.640 -0.001 0.000 0.191 494 D C 2.173 178.537 176.300 0.107 0.000 0.997 494 D CA 0.834 54.849 54.000 0.025 0.000 0.834 494 D CB -0.458 40.344 40.800 0.004 0.000 0.956 494 D HN 0.192 nan 8.370 nan 0.000 0.448 495 C N 0.472 119.906 119.300 0.222 0.000 2.425 495 C HA -0.041 4.419 4.460 -0.001 0.000 0.277 495 C C 2.814 177.924 174.990 0.199 0.000 1.280 495 C CA 0.714 59.986 59.018 0.424 0.000 1.744 495 C CB -1.124 26.982 27.740 0.611 0.000 1.989 495 C HN 0.385 nan 8.230 nan 0.000 0.491 496 A N 0.637 123.512 122.820 0.091 0.000 1.877 496 A HA 0.024 4.344 4.320 -0.001 0.000 0.216 496 A C 2.369 179.905 177.584 -0.079 0.000 1.186 496 A CA 2.031 54.056 52.037 -0.020 0.000 0.620 496 A CB -1.046 17.941 19.000 -0.021 0.000 0.822 496 A HN 0.600 nan 8.150 nan 0.000 0.443 497 A N -0.493 122.293 122.820 -0.056 0.000 2.194 497 A HA -0.149 4.171 4.320 -0.001 0.000 0.220 497 A C 1.530 179.018 177.584 -0.160 0.000 1.162 497 A CA 1.531 53.520 52.037 -0.079 0.000 0.674 497 A CB -0.473 18.501 19.000 -0.043 0.000 0.789 497 A HN 0.600 nan 8.150 nan 0.000 0.470 498 N N -1.238 117.300 118.700 -0.270 0.000 2.204 498 N HA 0.203 4.942 4.740 -0.001 0.000 0.219 498 N C 0.767 175.779 175.510 -0.829 0.000 1.151 498 N CA 0.708 53.411 53.050 -0.580 0.000 0.867 498 N CB 0.736 38.703 38.487 -0.867 0.000 1.043 498 N HN 0.546 nan 8.380 nan 0.000 0.516 499 G N 0.989 109.506 108.800 -0.472 0.000 2.198 499 G HA2 -0.202 3.758 3.960 -0.001 0.000 0.257 499 G HA3 -0.202 3.758 3.960 -0.001 0.000 0.257 499 G C -0.775 173.941 174.900 -0.306 0.000 1.042 499 G CA -0.293 44.585 45.100 -0.371 0.000 0.791 499 G HN 0.224 nan 8.290 nan 0.000 0.502 500 W N -0.298 120.987 121.300 -0.024 0.000 2.656 500 W HA 0.697 5.356 4.660 -0.001 0.000 0.327 500 W C 0.440 176.913 176.519 -0.077 0.000 1.041 500 W CA -1.122 56.209 57.345 -0.023 0.000 1.229 500 W CB 1.907 31.386 29.460 0.032 0.000 1.397 500 W HN 0.530 nan 8.180 nan 0.000 0.479 501 G N 1.666 110.533 108.800 0.112 0.000 2.473 501 G HA2 0.558 4.518 3.960 -0.001 0.000 0.321 501 G HA3 0.558 4.518 3.960 -0.001 0.000 0.321 501 G C -1.148 173.816 174.900 0.107 0.000 1.200 501 G CA -0.548 44.533 45.100 -0.031 0.000 0.963 501 G HN 0.176 nan 8.290 nan 0.000 0.483 502 E N -0.356 119.923 120.200 0.131 0.000 2.301 502 E HA 0.239 4.589 4.350 -0.001 0.000 0.275 502 E C 0.228 176.924 176.600 0.161 0.000 1.030 502 E CA -0.599 55.845 56.400 0.073 0.000 0.852 502 E CB 1.184 30.903 29.700 0.031 0.000 1.060 502 E HN 0.565 nan 8.360 nan 0.000 0.401 503 Y N 2.611 122.865 120.300 -0.076 0.000 2.544 503 Y HA 0.245 4.794 4.550 -0.001 0.000 0.286 503 Y C 0.320 176.150 175.900 -0.117 0.000 1.141 503 Y CA 0.045 58.077 58.100 -0.114 0.000 1.299 503 Y CB 0.388 38.696 38.460 -0.254 0.000 1.030 503 Y HN 0.405 nan 8.280 nan 0.000 0.543 504 R N 0.027 120.165 120.500 -0.604 0.000 2.687 504 R HA 0.516 4.855 4.340 -0.001 0.000 0.265 504 R C -2.121 173.957 176.300 -0.370 0.000 1.048 504 R CA -0.251 55.392 56.100 -0.762 0.000 0.884 504 R CB 1.145 30.570 30.300 -1.458 0.000 1.258 504 R HN 0.046 nan 8.270 nan 0.000 0.469 505 S N 0.820 116.343 115.700 -0.296 0.000 2.546 505 S HA 0.364 4.834 4.470 -0.001 0.000 0.274 505 S C -1.420 173.320 174.600 0.233 0.000 1.121 505 S CA -0.778 57.470 58.200 0.081 0.000 0.887 505 S CB 0.900 64.176 63.200 0.127 0.000 1.094 505 S HN 0.640 nan 8.310 nan 0.000 0.474 506 H N 3.473 122.805 119.070 0.438 0.000 2.671 506 H HA 0.281 4.836 4.556 -0.001 0.000 0.372 506 H C 1.291 176.725 175.328 0.178 0.000 1.227 506 H CA 0.274 56.569 56.048 0.412 0.000 1.426 506 H CB 0.650 30.728 29.762 0.526 0.000 1.480 506 H HN 0.712 nan 8.280 nan 0.000 0.611 507 L N 2.186 123.287 121.223 -0.204 0.000 2.079 507 L HA -0.198 4.141 4.340 -0.001 0.000 0.210 507 L C 2.260 179.036 176.870 -0.158 0.000 1.081 507 L CA 1.633 56.273 54.840 -0.333 0.000 0.752 507 L CB -0.456 41.032 42.059 -0.952 0.000 0.896 507 L HN 0.668 nan 8.230 nan 0.000 0.433 508 A N -1.921 120.896 122.820 -0.005 0.000 2.275 508 A HA 0.082 4.402 4.320 -0.001 0.000 0.212 508 A C 1.099 178.347 177.584 -0.561 0.000 1.201 508 A CA 0.250 52.168 52.037 -0.199 0.000 0.843 508 A CB -0.192 18.589 19.000 -0.366 0.000 0.873 508 A HN 0.394 nan 8.150 nan 0.000 0.492 509 F N -1.934 118.181 119.950 0.275 0.000 2.798 509 F HA 0.291 4.818 4.527 -0.001 0.000 0.328 509 F C 1.794 177.721 175.800 0.211 0.000 1.098 509 F CA -0.377 57.758 58.000 0.225 0.000 1.172 509 F CB -0.357 38.767 39.000 0.206 0.000 1.072 509 F HN 0.034 nan 8.300 nan 0.000 0.555 510 M N 0.223 119.994 119.600 0.285 0.000 2.088 510 M HA -0.261 4.218 4.480 -0.001 0.000 0.256 510 M C 1.643 178.090 176.300 0.244 0.000 1.071 510 M CA 1.956 57.381 55.300 0.209 0.000 1.097 510 M CB -0.531 32.140 32.600 0.118 0.000 1.315 510 M HN 0.126 nan 8.290 nan 0.000 0.406 511 D N -0.175 120.400 120.400 0.291 0.000 2.084 511 D HA -0.197 4.443 4.640 -0.001 0.000 0.194 511 D C 1.963 178.438 176.300 0.292 0.000 0.990 511 D CA 1.380 55.578 54.000 0.331 0.000 0.826 511 D CB -0.415 40.618 40.800 0.388 0.000 0.971 511 D HN 0.495 nan 8.370 nan 0.000 0.453 512 Q N 0.321 120.296 119.800 0.292 0.000 2.084 512 Q HA -0.125 4.215 4.340 -0.001 0.000 0.202 512 Q C 2.461 178.612 176.000 0.253 0.000 0.978 512 Q CA 0.825 56.786 55.803 0.263 0.000 0.844 512 Q CB -0.054 28.857 28.738 0.288 0.000 0.898 512 Q HN 0.263 nan 8.270 nan 0.000 0.426 513 I N 0.168 120.910 120.570 0.286 0.000 2.226 513 I HA -0.298 3.871 4.170 -0.001 0.000 0.245 513 I C 2.452 178.771 176.117 0.336 0.000 1.100 513 I CA 0.932 62.401 61.300 0.282 0.000 1.374 513 I CB -0.073 38.099 38.000 0.287 0.000 1.057 513 I HN 0.376 nan 8.210 nan 0.000 0.413 514 M N 0.939 120.727 119.600 0.313 0.000 2.108 514 M HA -0.250 4.230 4.480 -0.001 0.000 0.261 514 M C 1.988 178.488 176.300 0.334 0.000 1.066 514 M CA 1.864 57.367 55.300 0.337 0.000 1.107 514 M CB -0.450 32.302 32.600 0.253 0.000 1.356 514 M HN 0.058 nan 8.290 nan 0.000 0.406 515 E N -0.983 119.375 120.200 0.264 0.000 2.463 515 E HA -0.130 4.219 4.350 -0.001 0.000 0.201 515 E C 1.548 178.255 176.600 0.178 0.000 1.045 515 E CA 1.523 58.050 56.400 0.211 0.000 0.872 515 E CB -0.513 29.296 29.700 0.182 0.000 0.797 515 E HN 0.566 nan 8.360 nan 0.000 0.538 516 T N -0.866 113.797 114.554 0.181 0.000 2.937 516 T HA -0.039 4.311 4.350 -0.001 0.000 0.260 516 T C -0.136 174.551 174.700 -0.023 0.000 1.051 516 T CA 0.536 62.661 62.100 0.040 0.000 1.141 516 T CB -0.173 68.675 68.868 -0.034 0.000 0.879 516 T HN 0.197 nan 8.240 nan 0.000 0.459 517 Y N 3.136 123.505 120.300 0.114 0.000 2.903 517 Y HA 0.244 4.794 4.550 -0.001 0.000 0.387 517 Y C 1.099 177.100 175.900 0.168 0.000 1.189 517 Y CA -1.000 57.161 58.100 0.102 0.000 1.856 517 Y CB -0.692 37.783 38.460 0.025 0.000 1.917 517 Y HN 0.235 nan 8.280 nan 0.000 0.448 518 N N -1.215 117.633 118.700 0.247 0.000 2.322 518 N HA -0.092 4.648 4.740 -0.001 0.000 0.216 518 N C -0.072 175.564 175.510 0.211 0.000 1.144 518 N CA -0.483 52.695 53.050 0.214 0.000 0.830 518 N CB -0.335 38.233 38.487 0.136 0.000 1.034 518 N HN 0.460 nan 8.380 nan 0.000 0.484 519 W N 2.620 123.972 121.300 0.087 0.000 2.293 519 W HA 0.025 4.685 4.660 -0.001 0.000 0.342 519 W C 0.871 177.432 176.519 0.069 0.000 1.274 519 W CA 0.988 58.368 57.345 0.058 0.000 1.290 519 W CB -0.058 29.430 29.460 0.047 0.000 1.176 519 W HN 0.475 nan 8.180 nan 0.000 0.570 520 N N 5.038 123.263 118.700 -0.792 0.000 2.714 520 N HA -0.344 4.396 4.740 -0.001 0.000 0.253 520 N C -0.336 175.008 175.510 -0.276 0.000 1.024 520 N CA 0.819 53.398 53.050 -0.784 0.000 0.726 520 N CB -1.264 36.444 38.487 -1.299 0.000 0.908 520 N HN 0.813 nan 8.380 nan 0.000 0.542 521 N N -0.612 117.993 118.700 -0.159 0.000 2.738 521 N HA -0.172 4.567 4.740 -0.001 0.000 0.249 521 N C -0.584 174.940 175.510 0.023 0.000 1.047 521 N CA 1.374 54.392 53.050 -0.052 0.000 0.707 521 N CB -1.680 36.769 38.487 -0.064 0.000 0.937 521 N HN 0.604 nan 8.380 nan 0.000 0.545 522 S N -2.089 113.663 115.700 0.086 0.000 3.711 522 S HA -0.220 4.249 4.470 -0.001 0.000 0.374 522 S C 1.203 175.911 174.600 0.180 0.000 0.969 522 S CA 0.931 59.229 58.200 0.163 0.000 1.198 522 S CB -1.305 61.976 63.200 0.134 0.000 0.903 522 S HN 0.769 nan 8.310 nan 0.000 0.493 523 S N -0.538 115.284 115.700 0.203 0.000 2.447 523 S HA -0.026 4.443 4.470 -0.001 0.000 0.233 523 S C 1.262 176.049 174.600 0.313 0.000 1.006 523 S CA 1.246 59.580 58.200 0.223 0.000 0.957 523 S CB -0.199 63.126 63.200 0.209 0.000 0.773 523 S HN 0.632 nan 8.310 nan 0.000 0.507 524 F N 1.341 121.414 119.950 0.205 0.000 2.149 524 F HA 0.152 4.678 4.527 -0.001 0.000 0.294 524 F C 1.748 177.658 175.800 0.183 0.000 1.095 524 F CA 0.960 59.079 58.000 0.199 0.000 1.276 524 F CB -0.506 38.591 39.000 0.161 0.000 1.023 524 F HN 0.282 nan 8.300 nan 0.000 0.480 525 L N 0.678 122.019 121.223 0.197 0.000 2.093 525 L HA -0.086 4.253 4.340 -0.001 0.000 0.208 525 L C 2.401 179.297 176.870 0.044 0.000 1.085 525 L CA 1.512 56.399 54.840 0.078 0.000 0.755 525 L CB -0.839 41.322 42.059 0.169 0.000 0.904 525 L HN -0.045 nan 8.230 nan 0.000 0.435 526 R N -0.927 119.633 120.500 0.100 0.000 2.070 526 R HA -0.194 4.146 4.340 -0.001 0.000 0.233 526 R C 2.249 178.589 176.300 0.068 0.000 1.137 526 R CA 1.898 58.052 56.100 0.090 0.000 0.945 526 R CB -1.469 28.896 30.300 0.108 0.000 0.845 526 R HN 0.438 nan 8.270 nan 0.000 0.430 527 F N 2.448 122.371 119.950 -0.045 0.000 2.216 527 F HA -0.123 4.404 4.527 -0.001 0.000 0.300 527 F C 1.934 177.639 175.800 -0.159 0.000 1.085 527 F CA 1.119 59.070 58.000 -0.082 0.000 1.326 527 F CB -0.237 38.720 39.000 -0.072 0.000 1.027 527 F HN -0.028 nan 8.300 nan 0.000 0.497 528 N N 0.872 119.380 118.700 -0.320 0.000 2.106 528 N HA -0.172 4.568 4.740 -0.001 0.000 0.188 528 N C 1.777 177.090 175.510 -0.329 0.000 1.029 528 N CA 1.730 54.506 53.050 -0.456 0.000 0.848 528 N CB -0.374 37.838 38.487 -0.458 0.000 1.007 528 N HN 0.477 nan 8.380 nan 0.000 0.423 529 E N 0.363 120.462 120.200 -0.167 0.000 2.114 529 E HA -0.156 4.194 4.350 -0.001 0.000 0.199 529 E C 1.995 178.524 176.600 -0.117 0.000 1.008 529 E CA 1.021 57.374 56.400 -0.079 0.000 0.810 529 E CB -0.064 29.662 29.700 0.043 0.000 0.739 529 E HN 0.090 nan 8.360 nan 0.000 0.456 530 V N 1.274 121.090 119.914 -0.164 0.000 2.392 530 V HA -0.252 3.868 4.120 -0.001 0.000 0.249 530 V C 2.213 178.176 176.094 -0.217 0.000 1.059 530 V CA 1.534 63.740 62.300 -0.157 0.000 1.051 530 V CB -0.359 31.379 31.823 -0.142 0.000 0.658 530 V HN 0.272 nan 8.190 nan 0.000 0.455 531 L N -0.457 120.545 121.223 -0.367 0.000 2.156 531 L HA -0.112 4.228 4.340 -0.001 0.000 0.208 531 L C 2.506 179.239 176.870 -0.229 0.000 1.095 531 L CA 1.212 55.844 54.840 -0.346 0.000 0.770 531 L CB -0.522 41.230 42.059 -0.512 0.000 0.914 531 L HN 0.275 nan 8.230 nan 0.000 0.439 532 K N 0.861 121.136 120.400 -0.208 0.000 2.002 532 K HA -0.141 4.178 4.320 -0.001 0.000 0.209 532 K C 1.813 178.363 176.600 -0.083 0.000 1.048 532 K CA 1.537 57.739 56.287 -0.142 0.000 0.930 532 K CB -0.194 32.227 32.500 -0.131 0.000 0.714 532 K HN 0.120 nan 8.250 nan 0.000 0.438 533 N N 0.240 118.904 118.700 -0.061 0.000 2.443 533 N HA -0.091 4.649 4.740 -0.001 0.000 0.184 533 N C 1.266 176.761 175.510 -0.024 0.000 1.037 533 N CA 1.107 54.144 53.050 -0.022 0.000 0.896 533 N CB -0.057 38.430 38.487 -0.000 0.000 0.959 533 N HN 0.382 nan 8.380 nan 0.000 0.442 534 A N 0.179 122.969 122.820 -0.049 0.000 1.984 534 A HA 0.013 4.332 4.320 -0.001 0.000 0.214 534 A C 2.193 179.760 177.584 -0.029 0.000 1.173 534 A CA 1.044 53.058 52.037 -0.038 0.000 0.673 534 A CB -0.162 18.804 19.000 -0.056 0.000 0.830 534 A HN 0.182 nan 8.150 nan 0.000 0.453 535 V N -3.709 116.181 119.914 -0.040 0.000 3.307 535 V HA 0.232 4.352 4.120 -0.001 0.000 0.253 535 V C 0.263 176.352 176.094 -0.008 0.000 1.149 535 V CA 1.097 63.384 62.300 -0.021 0.000 1.112 535 V CB 0.232 32.037 31.823 -0.030 0.000 0.777 535 V HN 0.273 nan 8.190 nan 0.000 0.464 536 D N 0.530 120.922 120.400 -0.013 0.000 2.513 536 D HA 0.393 5.033 4.640 -0.001 0.000 0.295 536 D C -1.963 174.347 176.300 0.018 0.000 1.202 536 D CA -1.890 52.112 54.000 0.003 0.000 0.849 536 D CB 1.672 42.466 40.800 -0.010 0.000 1.116 536 D HN 0.136 nan 8.370 nan 0.000 0.502 537 P HA -0.106 nan 4.420 nan 0.000 0.214 537 P C 0.755 178.083 177.300 0.046 0.000 1.163 537 P CA 1.081 64.198 63.100 0.028 0.000 0.889 537 P CB 0.298 32.012 31.700 0.024 0.000 0.790 538 N N -1.196 117.537 118.700 0.056 0.000 2.370 538 N HA 0.075 4.814 4.740 -0.001 0.000 0.198 538 N C 0.802 176.381 175.510 0.116 0.000 1.156 538 N CA 0.900 53.996 53.050 0.076 0.000 0.839 538 N CB -0.409 38.122 38.487 0.074 0.000 0.989 538 N HN 0.133 nan 8.380 nan 0.000 0.468 539 G N 2.135 110.999 108.800 0.106 0.000 2.386 539 G HA2 -0.251 3.708 3.960 -0.001 0.000 0.295 539 G HA3 -0.251 3.708 3.960 -0.001 0.000 0.295 539 G C 0.799 175.786 174.900 0.145 0.000 0.979 539 G CA 0.730 45.907 45.100 0.128 0.000 1.193 539 G HN 0.544 nan 8.290 nan 0.000 0.508 540 I N -2.574 118.053 120.570 0.095 0.000 3.790 540 I HA 0.414 4.583 4.170 -0.001 0.000 0.305 540 I C 0.857 177.003 176.117 0.049 0.000 1.253 540 I CA -0.283 61.083 61.300 0.110 0.000 1.355 540 I CB 0.072 38.156 38.000 0.141 0.000 1.137 540 I HN 0.079 nan 8.210 nan 0.000 0.435 541 I N 3.397 123.965 120.570 -0.004 0.000 2.452 541 I HA 0.257 4.427 4.170 -0.001 0.000 0.287 541 I C 1.278 177.333 176.117 -0.103 0.000 1.079 541 I CA -0.423 60.845 61.300 -0.054 0.000 1.387 541 I CB -0.146 37.810 38.000 -0.072 0.000 1.404 541 I HN 0.394 nan 8.210 nan 0.000 0.522 542 A N 7.855 130.622 122.820 -0.088 0.000 2.409 542 A HA -0.147 4.173 4.320 -0.001 0.000 0.290 542 A C -1.950 175.555 177.584 -0.131 0.000 1.440 542 A CA -0.285 51.707 52.037 -0.074 0.000 0.775 542 A CB -1.870 16.875 19.000 -0.424 0.000 1.069 542 A HN 0.591 nan 8.150 nan 0.000 0.389 543 P HA 0.313 nan 4.420 nan 0.000 0.265 543 P C 1.244 178.021 177.300 -0.871 0.000 1.193 543 P CA 1.541 64.294 63.100 -0.578 0.000 0.765 543 P CB 0.766 31.913 31.700 -0.922 0.000 0.823 544 G N 1.915 109.867 108.800 -1.414 0.000 2.234 544 G HA2 -0.259 3.701 3.960 -0.001 0.000 0.235 544 G HA3 -0.259 3.701 3.960 -0.001 0.000 0.235 544 G C 0.296 174.659 174.900 -0.895 0.000 0.997 544 G CA 0.292 44.099 45.100 -2.155 0.000 0.623 544 G HN 0.754 nan 8.290 nan 0.000 0.514 545 K N 1.572 121.716 120.400 -0.427 0.000 2.484 545 K HA 0.433 4.752 4.320 -0.001 0.000 0.280 545 K C 1.253 177.713 176.600 -0.232 0.000 1.013 545 K CA 1.210 57.390 56.287 -0.178 0.000 1.029 545 K CB 0.018 32.409 32.500 -0.181 0.000 0.902 545 K HN 0.871 nan 8.250 nan 0.000 0.481 546 S N 2.767 118.385 115.700 -0.136 0.000 3.358 546 S HA -0.201 4.268 4.470 -0.001 0.000 0.309 546 S C 0.928 175.499 174.600 -0.049 0.000 1.247 546 S CA 1.242 59.387 58.200 -0.091 0.000 0.961 546 S CB -2.045 61.084 63.200 -0.119 0.000 1.074 546 S HN 1.396 nan 8.310 nan 0.000 0.625 547 G N -1.387 107.358 108.800 -0.092 0.000 2.179 547 G HA2 -0.286 3.674 3.960 -0.001 0.000 0.260 547 G HA3 -0.286 3.674 3.960 -0.001 0.000 0.260 547 G C 0.030 174.893 174.900 -0.062 0.000 0.977 547 G CA -0.002 45.110 45.100 0.020 0.000 0.641 547 G HN 1.292 nan 8.290 nan 0.000 0.533 548 V N 0.724 120.487 119.914 -0.252 0.000 2.372 548 V HA 0.509 4.628 4.120 -0.001 0.000 0.261 548 V C 0.084 175.982 176.094 -0.328 0.000 1.055 548 V CA -0.326 61.861 62.300 -0.188 0.000 0.930 548 V CB -0.026 31.679 31.823 -0.196 0.000 1.031 548 V HN 0.293 nan 8.190 nan 0.000 0.479 549 W N 7.211 128.497 121.300 -0.024 0.000 2.429 549 W HA 0.515 5.174 4.660 -0.001 0.000 0.314 549 W C -1.941 174.533 176.519 -0.075 0.000 1.062 549 W CA -2.188 55.094 57.345 -0.105 0.000 1.211 549 W CB 1.278 30.659 29.460 -0.131 0.000 1.305 549 W HN 0.326 nan 8.180 nan 0.000 0.476 550 P HA 0.015 nan 4.420 nan 0.000 0.274 550 P C 0.819 178.237 177.300 0.196 0.000 1.246 550 P CA 0.013 63.196 63.100 0.138 0.000 0.795 550 P CB 1.448 33.221 31.700 0.122 0.000 1.006 551 S N 0.618 116.401 115.700 0.138 0.000 2.423 551 S HA -0.194 4.275 4.470 -0.001 0.000 0.231 551 S C 1.580 176.244 174.600 0.106 0.000 1.014 551 S CA 0.768 59.036 58.200 0.114 0.000 0.965 551 S CB -0.935 62.318 63.200 0.089 0.000 0.785 551 S HN 0.582 nan 8.310 nan 0.000 0.495 552 Q N 0.011 119.886 119.800 0.124 0.000 2.488 552 Q HA -0.014 4.326 4.340 -0.001 0.000 0.211 552 Q C -0.592 175.397 176.000 -0.017 0.000 0.967 552 Q CA 0.552 56.383 55.803 0.047 0.000 0.926 552 Q CB -0.763 27.978 28.738 0.006 0.000 0.992 552 Q HN 0.714 nan 8.270 nan 0.000 0.506 553 Y N 1.707 122.035 120.300 0.046 0.000 2.504 553 Y HA 0.275 4.824 4.550 -0.001 0.000 0.339 553 Y C 0.337 176.228 175.900 -0.016 0.000 0.974 553 Y CA -0.990 57.144 58.100 0.056 0.000 1.232 553 Y CB 1.301 39.745 38.460 -0.027 0.000 1.108 553 Y HN -0.032 nan 8.280 nan 0.000 0.509 554 S N 3.269 119.060 115.700 0.151 0.000 2.593 554 S HA -0.116 4.354 4.470 -0.001 0.000 0.300 554 S C 1.391 175.938 174.600 -0.088 0.000 1.267 554 S CA -0.181 58.034 58.200 0.025 0.000 1.065 554 S CB 0.300 63.502 63.200 0.003 0.000 0.807 554 S HN 0.737 nan 8.310 nan 0.000 0.499 555 H N 3.757 122.812 119.070 -0.025 0.000 2.353 555 H HA -0.069 4.487 4.556 -0.001 0.000 0.300 555 H C 2.108 177.371 175.328 -0.110 0.000 1.090 555 H CA 1.811 57.798 56.048 -0.102 0.000 1.327 555 H CB -0.370 29.383 29.762 -0.014 0.000 1.383 555 H HN 0.504 nan 8.280 nan 0.000 0.508 556 V N 0.874 120.809 119.914 0.034 0.000 2.343 556 V HA -0.232 3.887 4.120 -0.001 0.000 0.247 556 V C 2.432 178.450 176.094 -0.127 0.000 1.051 556 V CA 2.219 64.502 62.300 -0.028 0.000 1.036 556 V CB -0.728 31.079 31.823 -0.027 0.000 0.654 556 V HN 0.490 nan 8.190 nan 0.000 0.451 557 T N -1.794 112.627 114.554 -0.222 0.000 2.812 557 T HA -0.184 4.166 4.350 -0.001 0.000 0.264 557 T C 1.451 175.806 174.700 -0.576 0.000 1.042 557 T CA 1.717 63.537 62.100 -0.467 0.000 1.140 557 T CB -0.292 68.185 68.868 -0.651 0.000 0.870 557 T HN 0.629 nan 8.240 nan 0.000 0.445 558 W N 1.026 122.138 121.300 -0.314 0.000 2.907 558 W HA 0.341 5.000 4.660 -0.001 0.000 0.271 558 W C 0.782 177.112 176.519 -0.315 0.000 1.253 558 W CA -0.674 56.398 57.345 -0.454 0.000 1.501 558 W CB 0.389 29.212 29.460 -1.062 0.000 1.047 558 W HN -0.177 nan 8.180 nan 0.000 0.610 559 K N 1.869 122.236 120.400 -0.054 0.000 2.368 559 K HA 0.306 4.625 4.320 -0.001 0.000 0.282 559 K C -0.327 176.388 176.600 0.192 0.000 1.035 559 K CA 0.209 56.581 56.287 0.143 0.000 0.973 559 K CB 0.709 33.291 32.500 0.138 0.000 0.957 559 K HN -0.044 nan 8.250 nan 0.000 0.474 560 L N 0.000 121.389 121.223 0.277 0.000 2.949 560 L HA 0.000 4.340 4.340 -0.001 0.000 0.249 560 L CA 0.000 54.974 54.840 0.223 0.000 0.813 560 L CB 0.000 42.208 42.059 0.248 0.000 0.961 560 L HN 0.000 nan 8.230 nan 0.000 0.502