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 1gm5_1_A DATA FIRST_RESID 7 DATA SEQUENCE FTSSLFLWGE ALPTLLEEFL NEVEKMLKNQ VNTRRIHQLL KELDDPLLEN DATA SEQUENCE KDLEEKLQAF LDYVKEIPNL PEARKRYRIQ KSLEMIEKLR SWFLIDYLEc DATA SEQUENCE SGEEVDLSTD IQYAKGVGPN RKKKLKKLGI ETLRDLLEFF PRDYEDRRKI DATA SEQUENCE FKLNDLLPGE KVTTQGKIVS VETKKFQNMN ILTAVLSDGL VHVPLKWFNQ DATA SEQUENCE DYLQTYLKQL TGKEVFVTGT VKSNAYTGQY EIHNAEVTPK EGEYVRRILP DATA SEQUENCE IYRLTSGISQ KQMRKIFEEN IPSLCcSLKE TLPERILEKR KLLGVKDAYY DATA SEQUENCE GMHFPKTFYH LEKARERLAY EELFVLQLAF QKIRKEREKH GGIPKKIEGK DATA SEQUENCE LAEEFIKSLP FKLTNAQKRA HQEIRNDMIS EKPMNRLLQG DVGSGKTVVA DATA SEQUENCE QLAILDNYEA GFQTAFMVPT SILAIQHYRR TVESFSKFNI HVALLIGATT DATA SEQUENCE PSEKEKIKSG LRNGQIDVVI GTHALIQEDV HFKNLGLVII DEQHRFXXXX DATA SEQUENCE XEALMNKGKM VDTLVMSATP IPRSMALAFY GDLDVTVIDE MPPGRKEVQT DATA SEQUENCE MLVPMDRVNE VYEFVRQEVM RGGQAFIVYP LIXXXXXXXX KSAVEMYEYL DATA SEQUENCE SKEVFXXXKL GLMHGRLSQE EKDRVMLEFA EGRYDILVST TVIEVGIDVP DATA SEQUENCE RANVMVIENP ERFGLAQLHQ LRGRVGRGGQ EAYCFLVVGD VGEEAMERLR DATA SEQUENCE FFTLNTDGFK IAEYDLKTRG PGEXXXXKQH GLSGFKVADL YRDLKLLEW 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 7 F HA 0.000 nan 4.527 nan 0.000 0.279 7 F C 0.000 175.640 175.800 -0.267 0.000 0.967 7 F CA 0.000 57.937 58.000 -0.104 0.000 1.383 7 F CB 0.000 38.971 39.000 -0.048 0.000 1.145 8 T N -0.019 114.445 114.554 -0.151 0.000 2.270 8 T HA -0.429 3.895 4.350 -0.044 0.000 0.212 8 T C 2.129 176.205 174.700 -1.039 0.000 1.575 8 T CA 2.677 64.459 62.100 -0.530 0.000 1.106 8 T CB -1.467 67.317 68.868 -0.140 0.000 0.844 8 T HN 0.431 nan 8.240 nan 0.000 0.414 9 S N 2.769 118.156 115.700 -0.521 0.000 2.359 9 S HA -0.207 4.236 4.470 -0.044 0.000 0.222 9 S C 2.198 176.515 174.600 -0.473 0.000 1.038 9 S CA 2.310 60.251 58.200 -0.430 0.000 1.051 9 S CB -1.385 61.656 63.200 -0.265 0.000 0.944 9 S HN 0.953 nan 8.310 nan 0.000 0.433 10 S N 1.053 116.517 115.700 -0.394 0.000 2.592 10 S HA 0.058 4.501 4.470 -0.044 0.000 0.256 10 S C 1.077 175.640 174.600 -0.063 0.000 0.974 10 S CA 1.158 59.191 58.200 -0.280 0.000 0.963 10 S CB -0.815 62.157 63.200 -0.380 0.000 0.750 10 S HN 0.660 nan 8.310 nan 0.000 0.538 11 L N -2.354 118.745 121.223 -0.206 0.000 3.689 11 L HA 0.435 4.748 4.340 -0.044 0.000 0.344 11 L C 1.101 178.170 176.870 0.332 0.000 1.221 11 L CA -0.017 54.885 54.840 0.103 0.000 1.171 11 L CB 0.130 42.280 42.059 0.152 0.000 1.540 11 L HN 0.262 nan 8.230 nan 0.000 0.631 12 F N -0.073 119.922 119.950 0.076 0.000 2.480 12 F HA 0.122 4.622 4.527 -0.044 0.000 0.280 12 F C 2.041 177.876 175.800 0.058 0.000 1.002 12 F CA -0.069 57.970 58.000 0.065 0.000 1.325 12 F CB 0.223 39.235 39.000 0.021 0.000 1.134 12 F HN -0.136 nan 8.300 nan 0.000 0.646 13 L N -0.804 120.515 121.223 0.160 0.000 2.042 13 L HA -0.233 4.080 4.340 -0.044 0.000 0.210 13 L C 2.175 179.128 176.870 0.138 0.000 1.076 13 L CA 1.601 56.476 54.840 0.059 0.000 0.749 13 L CB -1.265 40.709 42.059 -0.141 0.000 0.893 13 L HN 0.324 nan 8.230 nan 0.000 0.432 14 W N 1.212 122.554 121.300 0.069 0.000 2.301 14 W HA -0.214 4.419 4.660 -0.045 0.000 0.325 14 W C 2.642 179.198 176.519 0.062 0.000 1.250 14 W CA 0.772 58.138 57.345 0.034 0.000 1.261 14 W CB -0.691 28.780 29.460 0.019 0.000 1.157 14 W HN 0.227 nan 8.180 nan 0.000 0.473 15 G N 0.351 109.381 108.800 0.383 0.000 2.739 15 G HA2 -0.294 3.639 3.960 -0.044 0.000 0.216 15 G HA3 -0.294 3.639 3.960 -0.044 0.000 0.216 15 G C 0.314 175.332 174.900 0.196 0.000 1.298 15 G CA 0.826 46.078 45.100 0.254 0.000 0.804 15 G HN 0.257 nan 8.290 nan 0.000 0.623 16 E N 1.492 121.808 120.200 0.194 0.000 2.778 16 E HA 0.417 4.741 4.350 -0.044 0.000 0.318 16 E C 0.397 177.087 176.600 0.150 0.000 1.309 16 E CA 0.014 56.516 56.400 0.170 0.000 1.419 16 E CB -0.081 29.757 29.700 0.230 0.000 1.150 16 E HN 0.399 nan 8.360 nan 0.000 0.492 17 A N 1.554 124.456 122.820 0.137 0.000 2.709 17 A HA 0.254 4.547 4.320 -0.044 0.000 0.241 17 A C 0.338 177.973 177.584 0.085 0.000 0.879 17 A CA -0.283 51.825 52.037 0.118 0.000 1.120 17 A CB 0.008 19.115 19.000 0.178 0.000 1.226 17 A HN 0.362 nan 8.150 nan 0.000 0.468 18 L N -1.270 119.993 121.223 0.068 0.000 2.738 18 L HA 0.368 4.682 4.340 -0.044 0.000 0.175 18 L C -1.949 174.955 176.870 0.057 0.000 1.125 18 L CA -0.607 54.265 54.840 0.053 0.000 0.857 18 L CB -1.148 40.939 42.059 0.046 0.000 1.300 18 L HN 0.041 nan 8.230 nan 0.000 0.499 19 P HA 0.130 nan 4.420 nan 0.000 0.274 19 P C -0.355 176.972 177.300 0.046 0.000 1.237 19 P CA 0.642 63.781 63.100 0.065 0.000 0.793 19 P CB 1.227 32.958 31.700 0.051 0.000 0.977 20 T N -1.111 113.475 114.554 0.053 0.000 4.763 20 T HA -0.061 4.262 4.350 -0.044 0.000 0.311 20 T C -0.654 174.042 174.700 -0.008 0.000 1.048 20 T CA 0.078 62.178 62.100 0.001 0.000 2.268 20 T CB -1.668 67.185 68.868 -0.026 0.000 1.857 20 T HN 0.417 nan 8.240 nan 0.000 1.026 21 L N 0.216 121.452 121.223 0.021 0.000 2.666 21 L HA 0.447 4.760 4.340 -0.044 0.000 0.259 21 L C 0.920 177.823 176.870 0.054 0.000 0.919 21 L CA -0.524 54.325 54.840 0.016 0.000 0.927 21 L CB 1.018 43.098 42.059 0.035 0.000 1.423 21 L HN 0.158 nan 8.230 nan 0.000 0.426 22 L N 2.080 123.313 121.223 0.018 0.000 2.026 22 L HA -0.351 3.962 4.340 -0.044 0.000 0.231 22 L C 2.064 179.013 176.870 0.131 0.000 1.095 22 L CA 2.837 57.713 54.840 0.061 0.000 0.810 22 L CB 0.149 42.212 42.059 0.006 0.000 0.909 22 L HN 0.978 nan 8.230 nan 0.000 0.444 23 E N -0.454 119.800 120.200 0.090 0.000 2.033 23 E HA -0.302 4.021 4.350 -0.044 0.000 0.199 23 E C 1.688 178.349 176.600 0.101 0.000 1.011 23 E CA 1.702 58.154 56.400 0.086 0.000 0.815 23 E CB -0.696 29.071 29.700 0.112 0.000 0.755 23 E HN 0.628 nan 8.360 nan 0.000 0.451 24 E N 0.466 120.733 120.200 0.112 0.000 2.068 24 E HA -0.248 4.076 4.350 -0.044 0.000 0.207 24 E C 1.931 178.609 176.600 0.131 0.000 1.032 24 E CA 1.542 58.004 56.400 0.102 0.000 0.839 24 E CB -0.510 29.249 29.700 0.097 0.000 0.758 24 E HN 0.214 nan 8.360 nan 0.000 0.457 25 F N 1.687 121.637 119.950 -0.000 0.000 2.005 25 F HA -0.291 4.209 4.527 -0.044 0.000 0.297 25 F C 2.324 178.119 175.800 -0.008 0.000 1.175 25 F CA 1.634 59.632 58.000 -0.003 0.000 1.192 25 F CB -0.856 38.139 39.000 -0.009 0.000 0.953 25 F HN -0.061 nan 8.300 nan 0.000 0.504 26 L N -0.114 121.167 121.223 0.098 0.000 2.040 26 L HA -0.452 3.861 4.340 -0.044 0.000 0.228 26 L C 2.254 179.064 176.870 -0.101 0.000 1.092 26 L CA 1.855 56.652 54.840 -0.072 0.000 0.805 26 L CB -1.184 40.845 42.059 -0.050 0.000 0.905 26 L HN 0.330 nan 8.230 nan 0.000 0.443 27 N N 0.011 118.690 118.700 -0.036 0.000 2.029 27 N HA -0.284 4.430 4.740 -0.044 0.000 0.176 27 N C 1.532 177.000 175.510 -0.070 0.000 0.930 27 N CA 2.029 55.062 53.050 -0.030 0.000 0.884 27 N CB -0.568 37.922 38.487 0.004 0.000 1.015 27 N HN 0.299 nan 8.380 nan 0.000 0.848 28 E N -0.189 119.967 120.200 -0.074 0.000 2.172 28 E HA -0.242 4.082 4.350 -0.044 0.000 0.213 28 E C 2.026 178.539 176.600 -0.145 0.000 1.051 28 E CA 1.745 58.085 56.400 -0.099 0.000 0.860 28 E CB -0.622 29.017 29.700 -0.103 0.000 0.755 28 E HN 0.227 nan 8.360 nan 0.000 0.462 29 V N 1.430 121.203 119.914 -0.234 0.000 2.282 29 V HA -0.301 3.792 4.120 -0.044 0.000 0.249 29 V C 2.544 178.571 176.094 -0.113 0.000 1.057 29 V CA 2.355 64.525 62.300 -0.216 0.000 1.032 29 V CB -0.671 30.993 31.823 -0.265 0.000 0.645 29 V HN 0.371 nan 8.190 nan 0.000 0.447 30 E N 0.401 120.550 120.200 -0.085 0.000 2.058 30 E HA -0.322 4.002 4.350 -0.044 0.000 0.194 30 E C 2.203 178.767 176.600 -0.061 0.000 0.997 30 E CA 1.831 58.198 56.400 -0.056 0.000 0.801 30 E CB -0.122 29.551 29.700 -0.044 0.000 0.746 30 E HN 0.541 nan 8.360 nan 0.000 0.450 31 K N -0.138 120.224 120.400 -0.063 0.000 2.063 31 K HA -0.178 4.115 4.320 -0.044 0.000 0.208 31 K C 2.000 178.562 176.600 -0.064 0.000 1.048 31 K CA 1.582 57.835 56.287 -0.057 0.000 0.928 31 K CB -0.246 32.223 32.500 -0.052 0.000 0.713 31 K HN 0.126 nan 8.250 nan 0.000 0.442 32 M N 1.006 120.557 119.600 -0.081 0.000 2.706 32 M HA -0.217 4.236 4.480 -0.044 0.000 0.266 32 M C 1.798 178.052 176.300 -0.077 0.000 1.060 32 M CA 1.736 56.984 55.300 -0.086 0.000 1.070 32 M CB -0.938 31.594 32.600 -0.114 0.000 1.241 32 M HN 0.232 nan 8.290 nan 0.000 0.488 33 L N -0.046 121.128 121.223 -0.082 0.000 1.961 33 L HA -0.125 4.189 4.340 -0.044 0.000 0.210 33 L C 1.701 178.532 176.870 -0.066 0.000 1.072 33 L CA 2.006 56.796 54.840 -0.083 0.000 0.749 33 L CB -2.032 39.969 42.059 -0.096 0.000 0.889 33 L HN 0.386 nan 8.230 nan 0.000 0.432 34 K N 0.409 120.774 120.400 -0.059 0.000 2.588 34 K HA -0.211 4.083 4.320 -0.044 0.000 0.197 34 K C 0.273 176.846 176.600 -0.045 0.000 1.047 34 K CA 1.385 57.643 56.287 -0.049 0.000 0.927 34 K CB -0.399 32.075 32.500 -0.044 0.000 0.770 34 K HN 0.655 nan 8.250 nan 0.000 0.497 35 N N -0.946 117.725 118.700 -0.048 0.000 2.669 35 N HA 0.086 4.799 4.740 -0.044 0.000 0.156 35 N C -0.979 174.504 175.510 -0.045 0.000 1.757 35 N CA -0.350 52.675 53.050 -0.042 0.000 1.289 35 N CB 0.598 39.062 38.487 -0.039 0.000 0.887 35 N HN -0.128 nan 8.380 nan 0.000 0.586 36 Q N 0.771 120.543 119.800 -0.046 0.000 2.309 36 Q HA 0.427 4.741 4.340 -0.044 0.000 0.254 36 Q C -0.117 175.851 176.000 -0.053 0.000 0.938 36 Q CA -0.400 55.375 55.803 -0.047 0.000 0.789 36 Q CB 3.070 31.787 28.738 -0.036 0.000 1.313 36 Q HN 0.119 nan 8.270 nan 0.000 0.438 37 V N 2.318 122.193 119.914 -0.066 0.000 2.359 37 V HA -0.437 3.656 4.120 -0.044 0.000 0.208 37 V C 0.914 176.970 176.094 -0.064 0.000 0.887 37 V CA 2.481 64.736 62.300 -0.075 0.000 1.033 37 V CB -0.637 31.139 31.823 -0.079 0.000 0.727 37 V HN 1.204 nan 8.190 nan 0.000 0.545 38 N N -1.602 117.063 118.700 -0.057 0.000 3.769 38 N HA -0.173 4.540 4.740 -0.044 0.000 0.256 38 N C 0.837 176.314 175.510 -0.055 0.000 1.114 38 N CA 0.881 53.906 53.050 -0.043 0.000 0.699 38 N CB -1.174 37.295 38.487 -0.030 0.000 1.270 38 N HN 0.937 nan 8.380 nan 0.000 0.593 39 T N -1.308 113.198 114.554 -0.080 0.000 2.582 39 T HA -0.415 3.909 4.350 -0.044 0.000 0.238 39 T C 1.734 176.362 174.700 -0.119 0.000 1.283 39 T CA 1.644 63.661 62.100 -0.138 0.000 1.101 39 T CB -0.608 68.206 68.868 -0.090 0.000 0.823 39 T HN 0.449 nan 8.240 nan 0.000 0.467 40 R N 1.075 121.568 120.500 -0.011 0.000 2.162 40 R HA -0.166 4.147 4.340 -0.044 0.000 0.245 40 R C 2.793 179.134 176.300 0.069 0.000 1.129 40 R CA 2.193 58.330 56.100 0.061 0.000 0.940 40 R CB -0.650 29.677 30.300 0.044 0.000 0.875 40 R HN 0.576 nan 8.270 nan 0.000 0.437 41 R N 0.397 120.913 120.500 0.027 0.000 2.177 41 R HA -0.165 4.149 4.340 -0.044 0.000 0.221 41 R C 2.404 178.739 176.300 0.058 0.000 1.110 41 R CA 2.039 58.161 56.100 0.036 0.000 0.875 41 R CB -0.752 29.551 30.300 0.005 0.000 0.810 41 R HN 0.213 nan 8.270 nan 0.000 0.437 42 I N 0.092 120.666 120.570 0.007 0.000 2.972 42 I HA -0.473 3.671 4.170 -0.044 0.000 0.209 42 I C 2.226 178.451 176.117 0.180 0.000 0.859 42 I CA 2.396 63.726 61.300 0.050 0.000 1.161 42 I CB -1.751 36.212 38.000 -0.062 0.000 0.895 42 I HN 0.561 nan 8.210 nan 0.000 0.355 43 H N -0.206 118.923 119.070 0.100 0.000 2.472 43 H HA -0.278 4.251 4.556 -0.044 0.000 0.296 43 H C 2.303 177.676 175.328 0.075 0.000 1.120 43 H CA 1.781 57.879 56.048 0.082 0.000 1.250 43 H CB -0.028 29.765 29.762 0.052 0.000 1.366 43 H HN 0.497 nan 8.280 nan 0.000 0.524 44 Q N 0.471 120.391 119.800 0.200 0.000 2.391 44 Q HA 0.044 4.357 4.340 -0.044 0.000 0.211 44 Q C 1.919 178.002 176.000 0.138 0.000 0.908 44 Q CA 0.355 56.237 55.803 0.132 0.000 0.920 44 Q CB 0.069 28.865 28.738 0.097 0.000 1.056 44 Q HN 0.452 nan 8.270 nan 0.000 0.523 45 L N -0.084 121.264 121.223 0.208 0.000 2.027 45 L HA -0.121 4.192 4.340 -0.044 0.000 0.206 45 L C 1.983 178.949 176.870 0.160 0.000 1.074 45 L CA 0.885 55.895 54.840 0.283 0.000 0.745 45 L CB -0.396 42.028 42.059 0.609 0.000 0.898 45 L HN 0.281 nan 8.230 nan 0.000 0.433 46 L N -0.098 121.219 121.223 0.157 0.000 2.189 46 L HA -0.273 4.040 4.340 -0.044 0.000 0.214 46 L C 2.529 179.362 176.870 -0.063 0.000 1.097 46 L CA 1.588 56.381 54.840 -0.078 0.000 0.764 46 L CB -0.433 41.652 42.059 0.043 0.000 0.900 46 L HN 0.152 nan 8.230 nan 0.000 0.436 47 K N -0.935 119.469 120.400 0.007 0.000 2.288 47 K HA -0.107 4.186 4.320 -0.044 0.000 0.201 47 K C 1.423 178.009 176.600 -0.022 0.000 1.048 47 K CA 0.729 57.013 56.287 -0.005 0.000 0.956 47 K CB 0.247 32.757 32.500 0.018 0.000 0.746 47 K HN 0.183 nan 8.250 nan 0.000 0.461 48 E N 0.310 120.497 120.200 -0.022 0.000 2.472 48 E HA 0.070 4.393 4.350 -0.044 0.000 0.196 48 E C 0.012 176.577 176.600 -0.059 0.000 1.033 48 E CA -0.099 56.287 56.400 -0.024 0.000 0.886 48 E CB 0.101 29.806 29.700 0.007 0.000 0.944 48 E HN 0.135 nan 8.360 nan 0.000 0.492 49 L N 2.775 123.927 121.223 -0.117 0.000 2.543 49 L HA -0.048 4.265 4.340 -0.044 0.000 0.285 49 L C 0.348 177.155 176.870 -0.106 0.000 1.236 49 L CA 1.008 55.750 54.840 -0.163 0.000 0.871 49 L CB 0.337 42.222 42.059 -0.289 0.000 1.121 49 L HN 0.034 nan 8.230 nan 0.000 0.501 50 D N 2.542 122.889 120.400 -0.090 0.000 2.836 50 D HA 0.488 5.102 4.640 -0.044 0.000 0.215 50 D C -1.725 174.545 176.300 -0.051 0.000 1.255 50 D CA -0.532 53.433 54.000 -0.059 0.000 0.822 50 D CB 2.083 42.855 40.800 -0.047 0.000 1.656 50 D HN 0.507 nan 8.370 nan 0.000 0.511 51 D N 1.470 121.849 120.400 -0.035 0.000 3.109 51 D HA 0.003 4.617 4.640 -0.044 0.000 0.266 51 D C -2.422 173.868 176.300 -0.017 0.000 0.926 51 D CA -0.473 53.512 54.000 -0.026 0.000 0.838 51 D CB -0.283 40.497 40.800 -0.033 0.000 3.234 51 D HN 0.203 nan 8.370 nan 0.000 0.507 52 P HA -0.013 nan 4.420 nan 0.000 0.216 52 P C 2.001 179.302 177.300 0.002 0.000 1.150 52 P CA 0.992 64.100 63.100 0.014 0.000 0.837 52 P CB 0.088 31.808 31.700 0.033 0.000 0.786 53 L N -1.226 119.994 121.223 -0.005 0.000 2.051 53 L HA -0.209 4.104 4.340 -0.044 0.000 0.214 53 L C 2.363 179.195 176.870 -0.064 0.000 1.076 53 L CA 1.143 55.973 54.840 -0.016 0.000 0.758 53 L CB -1.188 40.862 42.059 -0.015 0.000 0.890 53 L HN -0.001 nan 8.230 nan 0.000 0.433 54 L N 0.110 121.287 121.223 -0.076 0.000 2.261 54 L HA -0.190 4.123 4.340 -0.044 0.000 0.216 54 L C 2.100 178.921 176.870 -0.083 0.000 1.114 54 L CA 1.515 56.291 54.840 -0.106 0.000 0.777 54 L CB -0.984 41.015 42.059 -0.099 0.000 0.910 54 L HN 0.309 nan 8.230 nan 0.000 0.440 55 E N -0.553 119.620 120.200 -0.045 0.000 2.461 55 E HA -0.096 4.227 4.350 -0.044 0.000 0.196 55 E C 0.081 176.666 176.600 -0.025 0.000 1.129 55 E CA -0.266 56.118 56.400 -0.026 0.000 0.902 55 E CB -0.077 29.623 29.700 0.000 0.000 0.963 55 E HN 0.331 nan 8.360 nan 0.000 0.503 56 N N 0.687 119.356 118.700 -0.052 0.000 2.514 56 N HA 0.010 4.723 4.740 -0.044 0.000 0.277 56 N C 0.556 176.041 175.510 -0.040 0.000 1.126 56 N CA 0.020 53.049 53.050 -0.036 0.000 0.978 56 N CB 1.200 39.656 38.487 -0.053 0.000 1.106 56 N HN -0.060 nan 8.380 nan 0.000 0.461 57 K N 2.101 122.498 120.400 -0.005 0.000 1.965 57 K HA -0.145 4.148 4.320 -0.044 0.000 0.218 57 K C 0.569 177.173 176.600 0.007 0.000 1.048 57 K CA 1.809 58.096 56.287 0.001 0.000 0.960 57 K CB -0.116 32.392 32.500 0.013 0.000 0.732 57 K HN 0.521 nan 8.250 nan 0.000 0.444 58 D N 0.600 121.023 120.400 0.039 0.000 2.137 58 D HA -0.249 4.365 4.640 -0.044 0.000 0.189 58 D C 1.893 178.216 176.300 0.037 0.000 0.998 58 D CA 1.568 55.611 54.000 0.073 0.000 0.839 58 D CB -0.541 40.337 40.800 0.130 0.000 0.962 58 D HN 0.242 nan 8.370 nan 0.000 0.446 59 L N 0.751 121.942 121.223 -0.052 0.000 2.149 59 L HA -0.341 3.973 4.340 -0.044 0.000 0.223 59 L C 2.111 178.867 176.870 -0.190 0.000 1.089 59 L CA 1.863 56.452 54.840 -0.419 0.000 0.800 59 L CB -0.123 41.451 42.059 -0.809 0.000 0.897 59 L HN 0.129 nan 8.230 nan 0.000 0.443 60 E N -0.585 119.551 120.200 -0.107 0.000 2.046 60 E HA -0.200 4.123 4.350 -0.044 0.000 0.190 60 E C 2.005 178.610 176.600 0.008 0.000 0.982 60 E CA 1.607 57.977 56.400 -0.050 0.000 0.800 60 E CB -0.148 29.528 29.700 -0.040 0.000 0.756 60 E HN 0.704 nan 8.360 nan 0.000 0.449 61 E N 1.217 121.433 120.200 0.027 0.000 2.006 61 E HA -0.142 4.182 4.350 -0.044 0.000 0.192 61 E C 2.119 178.776 176.600 0.095 0.000 0.993 61 E CA 0.588 57.023 56.400 0.058 0.000 0.808 61 E CB -0.107 29.625 29.700 0.054 0.000 0.764 61 E HN 0.034 nan 8.360 nan 0.000 0.449 62 K N 0.657 121.128 120.400 0.118 0.000 2.127 62 K HA -0.243 4.051 4.320 -0.044 0.000 0.212 62 K C 2.217 178.930 176.600 0.188 0.000 1.050 62 K CA 1.111 57.507 56.287 0.181 0.000 0.929 62 K CB -0.569 32.092 32.500 0.269 0.000 0.715 62 K HN 0.066 nan 8.250 nan 0.000 0.457 63 L N 1.575 122.877 121.223 0.133 0.000 1.937 63 L HA -0.216 4.097 4.340 -0.044 0.000 0.213 63 L C 2.590 179.599 176.870 0.232 0.000 1.077 63 L CA 1.622 56.560 54.840 0.164 0.000 0.758 63 L CB -0.672 41.439 42.059 0.087 0.000 0.888 63 L HN 0.245 nan 8.230 nan 0.000 0.433 64 Q N -0.908 118.988 119.800 0.160 0.000 2.028 64 Q HA -0.421 3.892 4.340 -0.044 0.000 0.215 64 Q C 2.074 178.179 176.000 0.175 0.000 1.041 64 Q CA 2.502 58.396 55.803 0.151 0.000 0.897 64 Q CB -0.837 27.965 28.738 0.106 0.000 1.017 64 Q HN 0.685 nan 8.270 nan 0.000 0.418 65 A N 0.682 123.599 122.820 0.163 0.000 1.900 65 A HA -0.316 3.978 4.320 -0.044 0.000 0.225 65 A C 1.788 179.507 177.584 0.225 0.000 1.414 65 A CA 2.289 54.426 52.037 0.167 0.000 0.702 65 A CB -1.400 17.706 19.000 0.176 0.000 0.845 65 A HN 0.475 nan 8.150 nan 0.000 0.478 66 F N -0.182 119.845 119.950 0.128 0.000 1.993 66 F HA -0.192 4.308 4.527 -0.045 0.000 0.297 66 F C 2.006 177.873 175.800 0.111 0.000 1.177 66 F CA 2.310 60.386 58.000 0.127 0.000 1.182 66 F CB -0.733 38.324 39.000 0.095 0.000 0.958 66 F HN 0.153 nan 8.300 nan 0.000 0.496 67 L N 0.588 122.014 121.223 0.339 0.000 2.211 67 L HA -0.303 4.010 4.340 -0.044 0.000 0.216 67 L C 1.867 178.769 176.870 0.053 0.000 1.092 67 L CA 1.930 56.870 54.840 0.167 0.000 0.767 67 L CB -1.319 40.883 42.059 0.238 0.000 0.894 67 L HN 0.251 nan 8.230 nan 0.000 0.437 68 D N -2.469 117.984 120.400 0.089 0.000 2.123 68 D HA -0.202 4.412 4.640 -0.044 0.000 0.200 68 D C 2.025 178.367 176.300 0.070 0.000 0.976 68 D CA 0.683 54.725 54.000 0.071 0.000 0.831 68 D CB -0.110 40.738 40.800 0.080 0.000 0.974 68 D HN 0.268 nan 8.370 nan 0.000 0.469 69 Y N 1.493 121.720 120.300 -0.122 0.000 2.070 69 Y HA -0.217 4.306 4.550 -0.044 0.000 0.280 69 Y C 2.159 177.928 175.900 -0.218 0.000 1.148 69 Y CA 0.812 58.809 58.100 -0.173 0.000 1.125 69 Y CB -0.871 37.445 38.460 -0.240 0.000 0.975 69 Y HN -0.169 nan 8.280 nan 0.000 0.492 70 V N 1.665 121.456 119.914 -0.205 0.000 2.214 70 V HA -0.418 3.675 4.120 -0.044 0.000 0.247 70 V C 2.386 178.411 176.094 -0.115 0.000 1.051 70 V CA 2.883 65.014 62.300 -0.282 0.000 1.003 70 V CB -0.865 30.734 31.823 -0.373 0.000 0.635 70 V HN 0.378 nan 8.190 nan 0.000 0.447 71 K N 0.639 120.984 120.400 -0.091 0.000 2.351 71 K HA -0.338 3.956 4.320 -0.044 0.000 0.204 71 K C 1.832 178.409 176.600 -0.039 0.000 1.041 71 K CA 2.227 58.468 56.287 -0.077 0.000 0.935 71 K CB -0.698 31.758 32.500 -0.073 0.000 0.734 71 K HN 0.896 nan 8.250 nan 0.000 0.486 72 E N 1.545 121.745 120.200 0.000 0.000 2.208 72 E HA -0.159 4.164 4.350 -0.044 0.000 0.193 72 E C 1.914 178.518 176.600 0.007 0.000 0.988 72 E CA 0.758 57.171 56.400 0.021 0.000 0.828 72 E CB -0.680 29.056 29.700 0.061 0.000 0.763 72 E HN 0.288 nan 8.360 nan 0.000 0.478 73 I N 2.155 122.716 120.570 -0.016 0.000 2.576 73 I HA -0.384 3.760 4.170 -0.044 0.000 0.221 73 I C -0.577 175.531 176.117 -0.016 0.000 0.924 73 I CA 2.479 63.763 61.300 -0.028 0.000 1.228 73 I CB -2.076 35.887 38.000 -0.062 0.000 0.939 73 I HN 0.192 nan 8.210 nan 0.000 0.375 74 P HA -0.188 nan 4.420 nan 0.000 0.214 74 P C 0.211 177.507 177.300 -0.006 0.000 1.163 74 P CA 2.026 65.116 63.100 -0.016 0.000 0.889 74 P CB -0.783 30.905 31.700 -0.020 0.000 0.790 75 N N -0.097 118.602 118.700 -0.002 0.000 3.085 75 N HA 0.115 4.828 4.740 -0.044 0.000 0.313 75 N C -0.719 174.795 175.510 0.007 0.000 1.277 75 N CA -0.098 52.954 53.050 0.003 0.000 1.150 75 N CB -0.862 37.629 38.487 0.005 0.000 1.437 75 N HN 0.047 nan 8.380 nan 0.000 0.558 76 L N 0.303 121.529 121.223 0.005 0.000 2.661 76 L HA 0.382 4.696 4.340 -0.044 0.000 0.263 76 L C -2.519 174.355 176.870 0.007 0.000 0.956 76 L CA -1.754 53.092 54.840 0.010 0.000 0.918 76 L CB 2.263 44.333 42.059 0.018 0.000 1.280 76 L HN 0.120 nan 8.230 nan 0.000 0.416 77 P HA 0.103 nan 4.420 nan 0.000 0.268 77 P C 0.666 177.971 177.300 0.007 0.000 1.205 77 P CA 0.070 63.173 63.100 0.005 0.000 0.771 77 P CB 0.951 32.654 31.700 0.004 0.000 0.858 78 E N 1.943 122.145 120.200 0.004 0.000 2.914 78 E HA -0.412 3.911 4.350 -0.044 0.000 0.218 78 E C 1.720 178.327 176.600 0.012 0.000 0.897 78 E CA 2.877 59.280 56.400 0.005 0.000 1.465 78 E CB -1.137 28.564 29.700 0.002 0.000 1.468 78 E HN 0.598 nan 8.360 nan 0.000 0.462 79 A N 0.527 123.355 122.820 0.014 0.000 1.865 79 A HA -0.226 4.067 4.320 -0.044 0.000 0.217 79 A C 2.063 179.672 177.584 0.042 0.000 1.191 79 A CA 2.065 54.117 52.037 0.025 0.000 0.623 79 A CB -0.645 18.363 19.000 0.013 0.000 0.826 79 A HN 0.326 nan 8.150 nan 0.000 0.444 80 R N -0.458 120.063 120.500 0.034 0.000 2.198 80 R HA -0.236 4.078 4.340 -0.044 0.000 0.258 80 R C 2.133 178.465 176.300 0.054 0.000 1.173 80 R CA 2.142 58.269 56.100 0.046 0.000 0.991 80 R CB -0.248 30.070 30.300 0.030 0.000 0.879 80 R HN 0.593 nan 8.270 nan 0.000 0.460 81 K N -0.641 119.778 120.400 0.032 0.000 2.076 81 K HA -0.050 4.243 4.320 -0.044 0.000 0.204 81 K C 2.085 178.692 176.600 0.012 0.000 1.051 81 K CA 0.865 57.160 56.287 0.013 0.000 0.949 81 K CB 0.052 32.549 32.500 -0.005 0.000 0.726 81 K HN 0.147 nan 8.250 nan 0.000 0.443 82 R N 0.258 120.780 120.500 0.036 0.000 2.127 82 R HA -0.166 4.147 4.340 -0.044 0.000 0.219 82 R C 2.241 178.589 176.300 0.079 0.000 1.133 82 R CA 1.731 57.858 56.100 0.045 0.000 0.890 82 R CB -1.025 29.317 30.300 0.069 0.000 0.804 82 R HN 0.130 nan 8.270 nan 0.000 0.443 83 Y N 2.101 122.399 120.300 -0.003 0.000 2.219 83 Y HA -0.310 4.213 4.550 -0.044 0.000 0.283 83 Y C 2.494 178.399 175.900 0.008 0.000 1.191 83 Y CA 1.421 59.528 58.100 0.011 0.000 1.199 83 Y CB -0.280 38.200 38.460 0.033 0.000 0.972 83 Y HN 0.063 nan 8.280 nan 0.000 0.527 84 R N 0.062 120.606 120.500 0.074 0.000 2.094 84 R HA -0.222 4.091 4.340 -0.044 0.000 0.239 84 R C 2.159 178.266 176.300 -0.322 0.000 1.137 84 R CA 2.271 58.337 56.100 -0.056 0.000 0.943 84 R CB -0.686 29.619 30.300 0.008 0.000 0.850 84 R HN 0.443 nan 8.270 nan 0.000 0.433 85 I N 0.689 121.136 120.570 -0.204 0.000 2.086 85 I HA -0.298 3.845 4.170 -0.044 0.000 0.233 85 I C 2.662 178.647 176.117 -0.220 0.000 1.060 85 I CA 1.149 62.319 61.300 -0.216 0.000 1.326 85 I CB -0.526 37.400 38.000 -0.123 0.000 1.067 85 I HN 0.163 nan 8.210 nan 0.000 0.398 86 Q N 0.799 120.503 119.800 -0.161 0.000 2.197 86 Q HA -0.328 3.986 4.340 -0.044 0.000 0.211 86 Q C 2.166 178.032 176.000 -0.224 0.000 0.993 86 Q CA 1.749 57.461 55.803 -0.152 0.000 0.883 86 Q CB -0.511 28.167 28.738 -0.101 0.000 0.916 86 Q HN 0.455 nan 8.270 nan 0.000 0.418 87 K N 0.469 120.655 120.400 -0.355 0.000 2.044 87 K HA -0.173 4.120 4.320 -0.044 0.000 0.210 87 K C 2.190 178.644 176.600 -0.244 0.000 1.049 87 K CA 1.719 57.792 56.287 -0.356 0.000 0.927 87 K CB 0.105 32.384 32.500 -0.368 0.000 0.713 87 K HN 0.133 nan 8.250 nan 0.000 0.443 88 S N 1.526 117.020 115.700 -0.343 0.000 2.406 88 S HA -0.184 4.259 4.470 -0.044 0.000 0.211 88 S C 1.928 176.552 174.600 0.040 0.000 1.045 88 S CA 1.354 59.436 58.200 -0.198 0.000 1.058 88 S CB -0.834 62.165 63.200 -0.336 0.000 1.044 88 S HN 0.285 nan 8.310 nan 0.000 0.413 89 L N 1.499 122.707 121.223 -0.024 0.000 2.166 89 L HA -0.362 3.951 4.340 -0.044 0.000 0.228 89 L C 2.830 179.682 176.870 -0.031 0.000 1.101 89 L CA 2.122 56.951 54.840 -0.019 0.000 0.821 89 L CB -0.713 41.313 42.059 -0.054 0.000 0.908 89 L HN 0.492 nan 8.230 nan 0.000 0.447 90 E N -0.395 119.775 120.200 -0.050 0.000 2.085 90 E HA -0.311 4.013 4.350 -0.044 0.000 0.194 90 E C 2.162 178.713 176.600 -0.081 0.000 0.994 90 E CA 1.948 58.307 56.400 -0.067 0.000 0.801 90 E CB -0.085 29.571 29.700 -0.074 0.000 0.743 90 E HN 0.377 nan 8.360 nan 0.000 0.453 91 M N 0.260 119.854 119.600 -0.010 0.000 2.254 91 M HA -0.068 4.386 4.480 -0.044 0.000 0.265 91 M C 1.682 177.848 176.300 -0.222 0.000 1.066 91 M CA 1.097 56.368 55.300 -0.048 0.000 1.123 91 M CB 0.068 32.797 32.600 0.215 0.000 1.388 91 M HN 0.113 nan 8.290 nan 0.000 0.425 92 I N -0.032 120.422 120.570 -0.194 0.000 2.058 92 I HA -0.296 3.847 4.170 -0.044 0.000 0.235 92 I C 2.227 178.185 176.117 -0.265 0.000 1.053 92 I CA 1.360 62.483 61.300 -0.295 0.000 1.313 92 I CB -0.920 36.980 38.000 -0.166 0.000 1.039 92 I HN 0.272 nan 8.210 nan 0.000 0.396 93 E N 1.087 121.171 120.200 -0.193 0.000 2.169 93 E HA -0.295 4.028 4.350 -0.044 0.000 0.202 93 E C 2.062 178.489 176.600 -0.289 0.000 1.016 93 E CA 1.524 57.812 56.400 -0.187 0.000 0.817 93 E CB -0.371 29.272 29.700 -0.095 0.000 0.736 93 E HN 0.446 nan 8.360 nan 0.000 0.462 94 K N 0.346 120.542 120.400 -0.340 0.000 2.032 94 K HA -0.101 4.192 4.320 -0.044 0.000 0.209 94 K C 2.343 178.490 176.600 -0.754 0.000 1.048 94 K CA 0.950 56.889 56.287 -0.581 0.000 0.927 94 K CB -0.128 32.093 32.500 -0.464 0.000 0.712 94 K HN 0.059 nan 8.250 nan 0.000 0.441 95 L N 0.633 121.597 121.223 -0.431 0.000 1.973 95 L HA -0.215 4.098 4.340 -0.044 0.000 0.208 95 L C 2.462 179.284 176.870 -0.079 0.000 1.073 95 L CA 1.316 56.062 54.840 -0.156 0.000 0.746 95 L CB -0.602 41.382 42.059 -0.125 0.000 0.891 95 L HN 0.232 nan 8.230 nan 0.000 0.433 96 R N -0.289 120.072 120.500 -0.232 0.000 2.159 96 R HA -0.268 4.046 4.340 -0.044 0.000 0.249 96 R C 2.351 178.520 176.300 -0.218 0.000 1.136 96 R CA 2.035 57.904 56.100 -0.386 0.000 0.951 96 R CB -1.363 28.409 30.300 -0.879 0.000 0.876 96 R HN 0.302 nan 8.270 nan 0.000 0.440 97 S N -0.175 115.417 115.700 -0.179 0.000 2.400 97 S HA -0.146 4.297 4.470 -0.044 0.000 0.232 97 S C 1.720 176.461 174.600 0.235 0.000 1.025 97 S CA 0.982 59.200 58.200 0.029 0.000 0.993 97 S CB -0.246 62.889 63.200 -0.108 0.000 0.808 97 S HN 0.508 nan 8.310 nan 0.000 0.478 98 W N -0.460 120.733 121.300 -0.180 0.000 2.408 98 W HA -0.027 4.607 4.660 -0.044 0.000 0.311 98 W C 1.821 178.091 176.519 -0.414 0.000 1.190 98 W CA 0.499 57.556 57.345 -0.480 0.000 1.321 98 W CB -0.199 28.620 29.460 -1.068 0.000 1.143 98 W HN 0.345 nan 8.180 nan 0.000 0.501 99 F N -1.237 118.894 119.950 0.302 0.000 2.482 99 F HA 0.084 4.584 4.527 -0.045 0.000 0.278 99 F C 2.052 177.906 175.800 0.091 0.000 0.969 99 F CA 0.060 58.156 58.000 0.160 0.000 1.223 99 F CB -0.865 38.204 39.000 0.114 0.000 1.140 99 F HN -0.412 nan 8.300 nan 0.000 0.672 100 L N 0.902 122.262 121.223 0.229 0.000 2.556 100 L HA -0.108 4.205 4.340 -0.044 0.000 0.230 100 L C -0.118 176.767 176.870 0.025 0.000 1.163 100 L CA 0.973 55.872 54.840 0.099 0.000 0.819 100 L CB -0.737 41.310 42.059 -0.021 0.000 0.939 100 L HN 0.164 nan 8.230 nan 0.000 0.452 101 I N -1.132 119.403 120.570 -0.059 0.000 2.530 101 I HA 0.143 4.286 4.170 -0.044 0.000 0.297 101 I C 0.055 175.932 176.117 -0.399 0.000 1.011 101 I CA -0.315 60.690 61.300 -0.492 0.000 1.107 101 I CB 2.156 39.722 38.000 -0.724 0.000 1.285 101 I HN -0.254 nan 8.210 nan 0.000 0.436 102 D N 5.173 125.311 120.400 -0.437 0.000 2.943 102 D HA 0.119 4.733 4.640 -0.044 0.000 0.249 102 D C -0.582 175.770 176.300 0.087 0.000 1.231 102 D CA -0.308 53.708 54.000 0.026 0.000 0.979 102 D CB -0.299 40.672 40.800 0.286 0.000 1.053 102 D HN 0.210 nan 8.370 nan 0.000 0.504 103 Y N 0.799 121.162 120.300 0.105 0.000 2.867 103 Y HA -0.182 4.341 4.550 -0.044 0.000 0.367 103 Y C 1.030 176.987 175.900 0.096 0.000 1.310 103 Y CA -0.176 57.987 58.100 0.104 0.000 1.655 103 Y CB 0.328 38.821 38.460 0.054 0.000 1.181 103 Y HN 0.191 nan 8.280 nan 0.000 0.533 104 L N 6.448 127.788 121.223 0.194 0.000 2.415 104 L HA 0.068 4.381 4.340 -0.044 0.000 0.269 104 L C 0.424 177.302 176.870 0.013 0.000 1.244 104 L CA -0.116 54.710 54.840 -0.023 0.000 1.113 104 L CB -0.566 41.380 42.059 -0.189 0.000 1.352 104 L HN 0.580 nan 8.230 nan 0.000 0.433 105 E N 3.434 123.656 120.200 0.036 0.000 2.299 105 E HA 0.142 4.465 4.350 -0.044 0.000 0.272 105 E C -0.603 175.989 176.600 -0.014 0.000 1.043 105 E CA -0.439 55.974 56.400 0.021 0.000 0.895 105 E CB 0.659 30.374 29.700 0.026 0.000 1.011 105 E HN 0.555 nan 8.360 nan 0.000 0.432 106 c N 3.942 122.533 118.600 -0.014 0.000 2.531 106 c HA 0.870 5.414 4.570 -0.044 0.000 0.369 106 c C -0.218 173.860 174.090 -0.021 0.000 1.258 106 c CA 0.644 56.956 56.329 -0.027 0.000 1.876 106 c CB 1.055 43.553 42.510 -0.020 0.000 2.256 106 c HN 1.142 nan 8.230 nan 0.000 0.510 107 S N 0.083 115.769 115.700 -0.024 0.000 2.710 107 S HA 0.507 4.950 4.470 -0.044 0.000 0.283 107 S C 0.495 175.082 174.600 -0.020 0.000 1.181 107 S CA 0.478 58.667 58.200 -0.019 0.000 1.217 107 S CB -0.398 62.792 63.200 -0.016 0.000 1.247 107 S HN 2.727 nan 8.310 nan 0.000 0.432 108 G N 0.770 109.560 108.800 -0.017 0.000 5.306 108 G HA2 -0.034 3.899 3.960 -0.044 0.000 0.318 108 G HA3 -0.034 3.899 3.960 -0.044 0.000 0.318 108 G C -0.249 174.643 174.900 -0.014 0.000 1.413 108 G CA 1.028 46.118 45.100 -0.016 0.000 0.981 108 G HN 1.848 nan 8.290 nan 0.000 0.788 109 E N 0.437 120.627 120.200 -0.016 0.000 3.447 109 E HA 0.074 4.397 4.350 -0.044 0.000 0.317 109 E C -0.241 176.351 176.600 -0.014 0.000 1.173 109 E CA 0.096 56.488 56.400 -0.013 0.000 0.984 109 E CB -0.332 29.363 29.700 -0.009 0.000 1.077 109 E HN 1.053 nan 8.360 nan 0.000 0.501 110 E N 2.059 122.250 120.200 -0.014 0.000 2.708 110 E HA 0.061 4.385 4.350 -0.044 0.000 0.260 110 E C -0.656 175.937 176.600 -0.011 0.000 0.937 110 E CA 0.380 56.771 56.400 -0.016 0.000 0.953 110 E CB 0.738 30.429 29.700 -0.015 0.000 0.915 110 E HN 0.183 nan 8.360 nan 0.000 0.487 111 V N 2.713 122.620 119.914 -0.012 0.000 2.864 111 V HA 0.231 4.324 4.120 -0.044 0.000 0.314 111 V C -0.568 175.512 176.094 -0.022 0.000 1.073 111 V CA -0.594 61.702 62.300 -0.006 0.000 0.956 111 V CB 2.095 33.928 31.823 0.016 0.000 1.023 111 V HN 0.813 nan 8.190 nan 0.000 0.435 112 D N 2.782 123.163 120.400 -0.031 0.000 3.078 112 D HA 0.448 5.061 4.640 -0.044 0.000 0.363 112 D C -0.573 175.690 176.300 -0.062 0.000 1.391 112 D CA 0.187 54.160 54.000 -0.045 0.000 0.754 112 D CB 0.294 41.073 40.800 -0.035 0.000 1.238 112 D HN 0.333 nan 8.370 nan 0.000 0.500 113 L N -1.028 120.141 121.223 -0.091 0.000 2.311 113 L HA 0.542 4.856 4.340 -0.044 0.000 0.245 113 L C 0.096 176.889 176.870 -0.128 0.000 1.181 113 L CA -1.040 53.739 54.840 -0.101 0.000 1.167 113 L CB 0.896 42.889 42.059 -0.109 0.000 1.646 113 L HN -0.201 nan 8.230 nan 0.000 0.491 114 S N 0.291 115.914 115.700 -0.128 0.000 2.485 114 S HA 0.335 4.778 4.470 -0.044 0.000 0.312 114 S C -0.107 174.363 174.600 -0.216 0.000 1.102 114 S CA -0.644 57.474 58.200 -0.137 0.000 1.066 114 S CB -0.222 62.920 63.200 -0.096 0.000 1.102 114 S HN 0.610 nan 8.310 nan 0.000 0.519 115 T N -0.934 113.438 114.554 -0.304 0.000 2.934 115 T HA 0.348 4.672 4.350 -0.044 0.000 0.283 115 T C -0.537 173.997 174.700 -0.277 0.000 1.005 115 T CA -0.985 60.822 62.100 -0.488 0.000 1.041 115 T CB 0.659 68.957 68.868 -0.951 0.000 1.042 115 T HN 0.376 nan 8.240 nan 0.000 0.505 116 D N 3.006 123.279 120.400 -0.212 0.000 2.688 116 D HA 0.173 4.786 4.640 -0.044 0.000 0.228 116 D C 1.433 177.702 176.300 -0.051 0.000 1.116 116 D CA -0.271 53.672 54.000 -0.095 0.000 1.023 116 D CB -0.908 39.865 40.800 -0.044 0.000 1.100 116 D HN 0.824 nan 8.370 nan 0.000 0.487 117 I N -1.430 119.087 120.570 -0.088 0.000 3.239 117 I HA -0.443 3.700 4.170 -0.044 0.000 0.249 117 I C 0.559 176.676 176.117 0.000 0.000 0.576 117 I CA 1.705 62.967 61.300 -0.063 0.000 1.426 117 I CB -1.627 36.319 38.000 -0.091 0.000 1.085 117 I HN 0.331 nan 8.210 nan 0.000 0.384 118 Q N -1.222 118.638 119.800 0.100 0.000 2.384 118 Q HA 0.089 4.402 4.340 -0.044 0.000 0.207 118 Q C 1.446 177.516 176.000 0.117 0.000 0.904 118 Q CA 0.851 56.703 55.803 0.082 0.000 0.933 118 Q CB -0.137 28.641 28.738 0.066 0.000 1.077 118 Q HN 0.722 nan 8.270 nan 0.000 0.522 119 Y N 1.745 122.003 120.300 -0.070 0.000 2.293 119 Y HA 0.016 4.539 4.550 -0.044 0.000 0.291 119 Y C 1.459 177.310 175.900 -0.082 0.000 1.137 119 Y CA -0.087 57.973 58.100 -0.067 0.000 1.202 119 Y CB -0.646 37.776 38.460 -0.063 0.000 0.990 119 Y HN 0.044 nan 8.280 nan 0.000 0.537 120 A N 1.325 124.194 122.820 0.081 0.000 2.644 120 A HA 0.023 4.317 4.320 -0.044 0.000 0.230 120 A C 0.658 178.216 177.584 -0.044 0.000 1.080 120 A CA 0.193 52.208 52.037 -0.037 0.000 0.773 120 A CB -0.175 18.768 19.000 -0.096 0.000 1.007 120 A HN 0.381 nan 8.150 nan 0.000 0.512 121 K N 0.292 120.649 120.400 -0.073 0.000 2.106 121 K HA 0.578 4.871 4.320 -0.044 0.000 0.246 121 K C 1.210 177.767 176.600 -0.071 0.000 0.987 121 K CA 0.382 56.631 56.287 -0.064 0.000 0.904 121 K CB 0.845 33.310 32.500 -0.058 0.000 1.071 121 K HN 1.826 nan 8.250 nan 0.000 0.453 122 G N 0.118 108.885 108.800 -0.055 0.000 2.530 122 G HA2 -0.293 3.640 3.960 -0.044 0.000 0.247 122 G HA3 -0.293 3.640 3.960 -0.044 0.000 0.247 122 G C 0.053 174.919 174.900 -0.056 0.000 1.067 122 G CA 0.613 45.683 45.100 -0.050 0.000 0.650 122 G HN 0.523 nan 8.290 nan 0.000 0.531 123 V N 1.244 121.114 119.914 -0.073 0.000 2.834 123 V HA 0.674 4.768 4.120 -0.044 0.000 0.301 123 V C 1.077 177.141 176.094 -0.050 0.000 1.066 123 V CA 0.783 63.041 62.300 -0.070 0.000 1.052 123 V CB 1.308 33.076 31.823 -0.090 0.000 1.021 123 V HN 1.176 nan 8.190 nan 0.000 0.480 124 G N 3.202 111.976 108.800 -0.043 0.000 2.749 124 G HA2 0.521 4.455 3.960 -0.044 0.000 0.300 124 G HA3 0.521 4.455 3.960 -0.044 0.000 0.300 124 G C -2.677 172.206 174.900 -0.029 0.000 1.352 124 G CA -0.448 44.632 45.100 -0.033 0.000 0.789 124 G HN 0.426 nan 8.290 nan 0.000 0.509 125 P HA -0.162 nan 4.420 nan 0.000 0.208 125 P C 1.641 178.929 177.300 -0.021 0.000 1.189 125 P CA 1.976 65.065 63.100 -0.019 0.000 0.931 125 P CB -0.167 31.523 31.700 -0.016 0.000 0.783 126 N N -0.265 118.423 118.700 -0.019 0.000 2.166 126 N HA -0.177 4.537 4.740 -0.044 0.000 0.186 126 N C 1.765 177.262 175.510 -0.022 0.000 1.019 126 N CA 0.879 53.919 53.050 -0.017 0.000 0.856 126 N CB -0.285 38.193 38.487 -0.014 0.000 0.993 126 N HN 0.015 nan 8.380 nan 0.000 0.426 127 R N 0.575 121.059 120.500 -0.028 0.000 2.189 127 R HA -0.087 4.226 4.340 -0.044 0.000 0.223 127 R C 2.077 178.348 176.300 -0.048 0.000 1.092 127 R CA 0.918 56.996 56.100 -0.037 0.000 0.989 127 R CB -0.178 30.096 30.300 -0.045 0.000 0.876 127 R HN 0.311 nan 8.270 nan 0.000 0.457 128 K N 2.033 122.408 120.400 -0.041 0.000 1.985 128 K HA -0.152 4.142 4.320 -0.044 0.000 0.210 128 K C 1.751 178.326 176.600 -0.041 0.000 1.047 128 K CA 1.735 57.996 56.287 -0.044 0.000 0.932 128 K CB -0.059 32.424 32.500 -0.029 0.000 0.716 128 K HN 0.008 nan 8.250 nan 0.000 0.439 129 K N 0.583 120.966 120.400 -0.029 0.000 2.057 129 K HA -0.122 4.171 4.320 -0.044 0.000 0.207 129 K C 2.074 178.660 176.600 -0.024 0.000 1.049 129 K CA 1.120 57.393 56.287 -0.022 0.000 0.931 129 K CB -0.214 32.278 32.500 -0.014 0.000 0.714 129 K HN 0.060 nan 8.250 nan 0.000 0.440 130 K N 1.547 121.932 120.400 -0.025 0.000 1.991 130 K HA -0.068 4.225 4.320 -0.044 0.000 0.212 130 K C 2.180 178.760 176.600 -0.035 0.000 1.049 130 K CA 1.070 57.345 56.287 -0.020 0.000 0.932 130 K CB -0.679 31.810 32.500 -0.018 0.000 0.717 130 K HN 0.183 nan 8.250 nan 0.000 0.441 131 L N 1.073 122.259 121.223 -0.063 0.000 2.351 131 L HA -0.195 4.118 4.340 -0.044 0.000 0.220 131 L C 1.840 178.651 176.870 -0.099 0.000 1.127 131 L CA 1.326 56.102 54.840 -0.107 0.000 0.786 131 L CB -0.283 41.688 42.059 -0.146 0.000 0.914 131 L HN 0.262 nan 8.230 nan 0.000 0.443 132 K N -0.977 119.388 120.400 -0.058 0.000 2.361 132 K HA 0.025 4.318 4.320 -0.044 0.000 0.194 132 K C 1.650 178.241 176.600 -0.014 0.000 1.032 132 K CA -0.180 56.083 56.287 -0.041 0.000 1.048 132 K CB 0.307 32.788 32.500 -0.033 0.000 0.842 132 K HN 0.034 nan 8.250 nan 0.000 0.526 133 K N 0.938 121.333 120.400 -0.007 0.000 2.519 133 K HA -0.039 4.254 4.320 -0.044 0.000 0.196 133 K C 1.172 177.795 176.600 0.038 0.000 1.041 133 K CA 0.884 57.180 56.287 0.015 0.000 0.954 133 K CB 0.117 32.627 32.500 0.016 0.000 0.774 133 K HN 0.253 nan 8.250 nan 0.000 0.480 134 L N -0.396 120.842 121.223 0.026 0.000 2.857 134 L HA 0.192 4.505 4.340 -0.044 0.000 0.249 134 L C 0.631 177.571 176.870 0.116 0.000 1.172 134 L CA -0.070 54.827 54.840 0.094 0.000 0.980 134 L CB 0.191 42.264 42.059 0.023 0.000 1.299 134 L HN 0.189 nan 8.230 nan 0.000 0.535 135 G N 1.907 110.740 108.800 0.055 0.000 2.273 135 G HA2 -0.282 3.651 3.960 -0.044 0.000 0.280 135 G HA3 -0.282 3.651 3.960 -0.044 0.000 0.280 135 G C 0.052 174.963 174.900 0.019 0.000 1.047 135 G CA 0.044 45.176 45.100 0.052 0.000 0.869 135 G HN 0.394 nan 8.290 nan 0.000 0.502 136 I N 0.852 121.387 120.570 -0.058 0.000 2.442 136 I HA 0.299 4.443 4.170 -0.044 0.000 0.279 136 I C 0.588 176.647 176.117 -0.097 0.000 1.081 136 I CA -0.584 60.648 61.300 -0.115 0.000 1.197 136 I CB 0.397 38.235 38.000 -0.270 0.000 1.394 136 I HN 0.208 nan 8.210 nan 0.000 0.488 137 E N 3.124 123.286 120.200 -0.064 0.000 2.803 137 E HA 0.567 4.890 4.350 -0.044 0.000 0.250 137 E C 0.377 176.931 176.600 -0.078 0.000 1.102 137 E CA -0.735 55.625 56.400 -0.066 0.000 1.017 137 E CB 0.741 30.414 29.700 -0.046 0.000 1.346 137 E HN 0.401 nan 8.360 nan 0.000 0.532 138 T N -0.827 113.675 114.554 -0.086 0.000 0.572 138 T HA -0.216 4.107 4.350 -0.044 0.000 0.774 138 T C 0.469 175.101 174.700 -0.112 0.000 0.992 138 T CA 1.504 63.544 62.100 -0.099 0.000 4.077 138 T CB -0.720 68.107 68.868 -0.068 0.000 2.303 138 T HN 0.472 nan 8.240 nan 0.000 0.398 139 L N -1.071 120.091 121.223 -0.101 0.000 2.753 139 L HA 0.462 4.775 4.340 -0.044 0.000 0.238 139 L C 2.234 179.065 176.870 -0.065 0.000 1.028 139 L CA 0.400 55.178 54.840 -0.103 0.000 0.966 139 L CB -0.745 41.248 42.059 -0.110 0.000 1.681 139 L HN 0.418 nan 8.230 nan 0.000 0.511 140 R N 1.012 121.482 120.500 -0.050 0.000 2.153 140 R HA -0.233 4.080 4.340 -0.044 0.000 0.252 140 R C 1.523 177.833 176.300 0.017 0.000 1.158 140 R CA 2.048 58.141 56.100 -0.013 0.000 0.975 140 R CB -0.323 29.973 30.300 -0.008 0.000 0.871 140 R HN 0.375 nan 8.270 nan 0.000 0.450 141 D N 0.002 120.399 120.400 -0.006 0.000 2.265 141 D HA -0.169 4.445 4.640 -0.044 0.000 0.208 141 D C 1.220 177.530 176.300 0.017 0.000 0.977 141 D CA 0.951 54.959 54.000 0.013 0.000 0.871 141 D CB 0.089 40.876 40.800 -0.022 0.000 0.925 141 D HN 0.225 nan 8.370 nan 0.000 0.485 142 L N 0.271 121.476 121.223 -0.031 0.000 2.685 142 L HA 0.156 4.470 4.340 -0.044 0.000 0.233 142 L C 1.312 178.229 176.870 0.078 0.000 1.173 142 L CA 0.072 54.883 54.840 -0.048 0.000 0.961 142 L CB 0.209 42.134 42.059 -0.224 0.000 1.217 142 L HN -0.077 nan 8.230 nan 0.000 0.478 143 L N -2.367 118.922 121.223 0.110 0.000 2.641 143 L HA 0.193 4.506 4.340 -0.044 0.000 0.207 143 L C 1.523 178.355 176.870 -0.064 0.000 1.049 143 L CA 0.046 54.988 54.840 0.170 0.000 0.866 143 L CB -0.043 42.156 42.059 0.233 0.000 1.264 143 L HN 0.032 nan 8.230 nan 0.000 0.483 144 E N 0.646 120.860 120.200 0.024 0.000 2.501 144 E HA -0.159 4.164 4.350 -0.044 0.000 0.203 144 E C -0.046 176.438 176.600 -0.194 0.000 1.072 144 E CA 0.617 56.982 56.400 -0.060 0.000 0.885 144 E CB -0.017 29.779 29.700 0.161 0.000 0.813 144 E HN 0.191 nan 8.360 nan 0.000 0.556 145 F N 1.039 120.819 119.950 -0.282 0.000 2.300 145 F HA 0.276 4.776 4.527 -0.044 0.000 0.364 145 F C -0.716 175.042 175.800 -0.070 0.000 1.090 145 F CA -0.998 56.958 58.000 -0.074 0.000 1.200 145 F CB 0.044 39.105 39.000 0.102 0.000 1.493 145 F HN -0.267 nan 8.300 nan 0.000 0.518 146 F N 4.234 124.153 119.950 -0.052 0.000 2.380 146 F HA 0.542 5.043 4.527 -0.045 0.000 0.321 146 F C -1.747 173.872 175.800 -0.303 0.000 1.103 146 F CA -2.529 55.365 58.000 -0.177 0.000 1.067 146 F CB -0.196 38.664 39.000 -0.233 0.000 1.265 146 F HN 0.276 nan 8.300 nan 0.000 0.517 147 P HA 0.078 nan 4.420 nan 0.000 0.269 147 P C 0.682 177.723 177.300 -0.431 0.000 1.217 147 P CA -0.178 62.597 63.100 -0.540 0.000 0.783 147 P CB 0.627 31.713 31.700 -1.022 0.000 0.898 148 R N 0.802 121.060 120.500 -0.403 0.000 2.092 148 R HA -0.087 4.226 4.340 -0.044 0.000 0.231 148 R C 0.360 176.473 176.300 -0.311 0.000 1.119 148 R CA 1.765 57.695 56.100 -0.284 0.000 0.970 148 R CB -0.003 30.167 30.300 -0.217 0.000 0.864 148 R HN 0.660 nan 8.270 nan 0.000 0.440 149 D N -4.237 115.861 120.400 -0.504 0.000 2.827 149 D HA 0.160 4.774 4.640 -0.044 0.000 0.336 149 D C -1.931 173.914 176.300 -0.758 0.000 1.374 149 D CA -0.543 53.203 54.000 -0.423 0.000 0.794 149 D CB 0.301 40.979 40.800 -0.203 0.000 1.364 149 D HN -0.106 nan 8.370 nan 0.000 0.464 150 Y N -0.034 120.189 120.300 -0.127 0.000 2.421 150 Y HA 0.379 4.902 4.550 -0.045 0.000 0.339 150 Y C -0.293 175.559 175.900 -0.080 0.000 0.996 150 Y CA -0.957 57.057 58.100 -0.142 0.000 1.046 150 Y CB 2.042 40.427 38.460 -0.125 0.000 1.226 150 Y HN 0.312 nan 8.280 nan 0.000 0.445 151 E N 2.491 122.704 120.200 0.021 0.000 2.191 151 E HA 0.397 4.720 4.350 -0.044 0.000 0.278 151 E C -1.393 175.222 176.600 0.026 0.000 0.972 151 E CA -0.701 55.707 56.400 0.013 0.000 0.804 151 E CB 1.558 31.237 29.700 -0.036 0.000 1.110 151 E HN 0.632 nan 8.360 nan 0.000 0.394 152 D N 2.684 123.120 120.400 0.060 0.000 2.449 152 D HA 0.431 5.044 4.640 -0.044 0.000 0.250 152 D C 0.086 176.394 176.300 0.014 0.000 1.050 152 D CA -0.501 53.527 54.000 0.047 0.000 1.024 152 D CB 1.524 42.443 40.800 0.197 0.000 1.218 152 D HN 0.657 nan 8.370 nan 0.000 0.566 153 R N -0.711 119.779 120.500 -0.017 0.000 4.548 153 R HA 0.182 4.496 4.340 -0.044 0.000 0.077 153 R C 1.700 177.957 176.300 -0.071 0.000 0.695 153 R CA -0.171 55.902 56.100 -0.045 0.000 1.570 153 R CB 0.281 30.527 30.300 -0.091 0.000 1.517 153 R HN 0.304 nan 8.270 nan 0.000 0.411 154 R N 1.377 121.820 120.500 -0.096 0.000 2.622 154 R HA -0.281 4.032 4.340 -0.044 0.000 0.121 154 R C -0.004 176.240 176.300 -0.093 0.000 0.563 154 R CA 2.084 58.133 56.100 -0.086 0.000 0.204 154 R CB -1.391 28.889 30.300 -0.034 0.000 0.587 154 R HN 0.139 nan 8.270 nan 0.000 0.230 155 K N 1.448 121.801 120.400 -0.078 0.000 2.349 155 K HA 0.323 4.617 4.320 -0.044 0.000 0.288 155 K C -0.140 176.366 176.600 -0.156 0.000 1.058 155 K CA 0.020 56.231 56.287 -0.127 0.000 0.953 155 K CB 0.560 32.965 32.500 -0.158 0.000 0.997 155 K HN 0.130 nan 8.250 nan 0.000 0.477 156 I N 4.264 124.752 120.570 -0.137 0.000 2.377 156 I HA 0.243 4.386 4.170 -0.044 0.000 0.293 156 I C -0.400 175.653 176.117 -0.107 0.000 0.987 156 I CA -0.697 60.582 61.300 -0.035 0.000 1.185 156 I CB 0.809 38.878 38.000 0.116 0.000 1.341 156 I HN 0.404 nan 8.210 nan 0.000 0.455 157 F N 5.416 125.400 119.950 0.057 0.000 2.375 157 F HA 0.349 4.849 4.527 -0.045 0.000 0.333 157 F C 0.767 176.588 175.800 0.036 0.000 1.104 157 F CA -0.245 57.778 58.000 0.037 0.000 1.149 157 F CB 0.898 39.913 39.000 0.026 0.000 1.190 157 F HN 0.333 nan 8.300 nan 0.000 0.533 158 K N 1.487 122.028 120.400 0.235 0.000 2.138 158 K HA 0.375 4.668 4.320 -0.044 0.000 0.251 158 K C -0.883 175.783 176.600 0.110 0.000 1.015 158 K CA -0.507 55.857 56.287 0.129 0.000 0.917 158 K CB 0.597 33.148 32.500 0.085 0.000 1.021 158 K HN 0.517 nan 8.250 nan 0.000 0.485 159 L N 3.833 125.092 121.223 0.060 0.000 2.255 159 L HA 0.186 4.499 4.340 -0.044 0.000 0.289 159 L C -0.707 176.166 176.870 0.004 0.000 1.046 159 L CA -0.008 54.851 54.840 0.032 0.000 0.816 159 L CB 0.217 42.292 42.059 0.027 0.000 1.197 159 L HN 0.892 nan 8.230 nan 0.000 0.427 160 N N 3.041 121.725 118.700 -0.028 0.000 3.829 160 N HA -0.116 4.597 4.740 -0.044 0.000 0.263 160 N C -0.919 174.561 175.510 -0.051 0.000 1.029 160 N CA 0.368 53.383 53.050 -0.058 0.000 0.673 160 N CB -0.539 37.927 38.487 -0.035 0.000 1.294 160 N HN 0.796 nan 8.380 nan 0.000 0.610 161 D N -0.674 119.679 120.400 -0.078 0.000 4.105 161 D HA 0.081 4.694 4.640 -0.044 0.000 0.275 161 D C -0.666 175.562 176.300 -0.119 0.000 0.570 161 D CA -0.400 53.568 54.000 -0.054 0.000 0.729 161 D CB -0.461 40.375 40.800 0.059 0.000 1.675 161 D HN 0.307 nan 8.370 nan 0.000 0.154 162 L N 1.843 122.969 121.223 -0.161 0.000 2.628 162 L HA 0.075 4.388 4.340 -0.044 0.000 0.274 162 L C 0.139 176.870 176.870 -0.232 0.000 1.209 162 L CA 0.407 55.123 54.840 -0.206 0.000 0.930 162 L CB 0.211 42.189 42.059 -0.135 0.000 1.183 162 L HN 0.053 nan 8.230 nan 0.000 0.492 163 L N 5.994 127.047 121.223 -0.284 0.000 2.363 163 L HA 0.304 4.618 4.340 -0.044 0.000 0.286 163 L C -1.975 174.882 176.870 -0.021 0.000 1.106 163 L CA -2.034 52.699 54.840 -0.180 0.000 0.859 163 L CB -0.451 41.461 42.059 -0.244 0.000 1.223 163 L HN 0.358 nan 8.230 nan 0.000 0.446 164 P HA -0.075 nan 4.420 nan 0.000 0.243 164 P C 0.880 178.208 177.300 0.046 0.000 1.107 164 P CA 1.079 64.393 63.100 0.357 0.000 0.848 164 P CB 0.113 32.020 31.700 0.345 0.000 0.771 165 G N 1.463 110.257 108.800 -0.011 0.000 2.580 165 G HA2 -0.062 3.872 3.960 -0.044 0.000 0.204 165 G HA3 -0.062 3.872 3.960 -0.044 0.000 0.204 165 G C -0.609 174.274 174.900 -0.029 0.000 1.107 165 G CA -0.660 44.413 45.100 -0.045 0.000 0.881 165 G HN 0.459 nan 8.290 nan 0.000 0.497 166 E N 0.045 120.213 120.200 -0.053 0.000 2.422 166 E HA 0.158 4.482 4.350 -0.044 0.000 0.289 166 E C -0.054 176.506 176.600 -0.067 0.000 0.985 166 E CA -0.806 55.560 56.400 -0.056 0.000 0.812 166 E CB 0.961 30.615 29.700 -0.077 0.000 1.226 166 E HN 0.598 nan 8.360 nan 0.000 0.419 167 K N 1.247 121.623 120.400 -0.040 0.000 2.382 167 K HA 0.403 4.696 4.320 -0.044 0.000 0.286 167 K C -0.011 176.591 176.600 0.004 0.000 1.062 167 K CA -0.218 56.058 56.287 -0.017 0.000 1.000 167 K CB 0.578 33.074 32.500 -0.007 0.000 0.954 167 K HN 0.105 nan 8.250 nan 0.000 0.470 168 V N 2.470 122.392 119.914 0.012 0.000 3.164 168 V HA 0.427 4.521 4.120 -0.044 0.000 0.313 168 V C -0.773 175.399 176.094 0.130 0.000 1.188 168 V CA -0.740 61.616 62.300 0.093 0.000 1.058 168 V CB 2.773 34.578 31.823 -0.030 0.000 1.110 168 V HN 0.951 nan 8.190 nan 0.000 0.453 169 T N 0.751 115.434 114.554 0.215 0.000 2.965 169 T HA 0.505 4.828 4.350 -0.044 0.000 0.306 169 T C -0.471 174.371 174.700 0.236 0.000 0.991 169 T CA -0.327 61.876 62.100 0.172 0.000 1.001 169 T CB 1.268 70.200 68.868 0.106 0.000 0.984 169 T HN 0.806 nan 8.240 nan 0.000 0.446 170 T N 1.559 116.245 114.554 0.219 0.000 2.841 170 T HA 0.711 5.034 4.350 -0.044 0.000 0.276 170 T C -0.984 173.849 174.700 0.222 0.000 1.003 170 T CA -0.513 61.716 62.100 0.216 0.000 0.995 170 T CB 1.933 70.888 68.868 0.143 0.000 1.260 170 T HN 0.751 nan 8.240 nan 0.000 0.581 171 Q N -0.342 119.517 119.800 0.098 0.000 2.892 171 Q HA 0.669 4.983 4.340 -0.044 0.000 0.307 171 Q C -0.609 175.340 176.000 -0.085 0.000 1.039 171 Q CA -0.400 55.349 55.803 -0.090 0.000 0.792 171 Q CB 1.586 30.160 28.738 -0.273 0.000 1.504 171 Q HN 1.237 nan 8.270 nan 0.000 0.487 172 G N 0.698 109.409 108.800 -0.147 0.000 2.340 172 G HA2 0.005 3.938 3.960 -0.044 0.000 0.527 172 G HA3 0.005 3.938 3.960 -0.044 0.000 0.527 172 G C -1.238 173.621 174.900 -0.070 0.000 1.381 172 G CA -0.584 44.467 45.100 -0.082 0.000 1.001 172 G HN 0.538 nan 8.290 nan 0.000 0.626 173 K N -0.477 119.899 120.400 -0.041 0.000 2.400 173 K HA 0.642 4.936 4.320 -0.044 0.000 0.253 173 K C 0.626 177.220 176.600 -0.011 0.000 1.076 173 K CA 0.299 56.573 56.287 -0.021 0.000 0.887 173 K CB 0.517 33.012 32.500 -0.009 0.000 1.168 173 K HN 1.414 nan 8.250 nan 0.000 0.505 174 I N -2.698 117.873 120.570 0.001 0.000 2.735 174 I HA 0.096 4.239 4.170 -0.044 0.000 0.287 174 I C -0.776 175.346 176.117 0.008 0.000 1.452 174 I CA -0.659 60.644 61.300 0.004 0.000 1.061 174 I CB 1.585 39.602 38.000 0.029 0.000 1.383 174 I HN 0.289 nan 8.210 nan 0.000 0.425 175 V N 2.944 122.855 119.914 -0.005 0.000 3.382 175 V HA 0.269 4.362 4.120 -0.044 0.000 0.296 175 V C 0.424 176.518 176.094 0.001 0.000 1.529 175 V CA 0.499 62.800 62.300 0.002 0.000 1.048 175 V CB 0.124 31.948 31.823 0.003 0.000 0.878 175 V HN 0.799 nan 8.190 nan 0.000 0.442 176 S N 1.091 116.786 115.700 -0.008 0.000 2.652 176 S HA 0.604 5.047 4.470 -0.044 0.000 0.252 176 S C -0.694 173.906 174.600 0.000 0.000 1.219 176 S CA -0.521 57.670 58.200 -0.015 0.000 1.151 176 S CB 1.361 64.527 63.200 -0.058 0.000 1.080 176 S HN 0.183 nan 8.310 nan 0.000 0.481 177 V N 0.842 120.764 119.914 0.014 0.000 2.275 177 V HA 0.528 4.621 4.120 -0.044 0.000 0.272 177 V C -0.342 175.762 176.094 0.017 0.000 1.028 177 V CA -0.628 61.686 62.300 0.023 0.000 0.810 177 V CB -0.016 31.825 31.823 0.029 0.000 1.043 177 V HN 0.787 nan 8.190 nan 0.000 0.453 178 E N 2.379 122.586 120.200 0.012 0.000 2.207 178 E HA 0.697 5.020 4.350 -0.044 0.000 0.270 178 E C -0.148 176.460 176.600 0.014 0.000 0.927 178 E CA -0.679 55.729 56.400 0.014 0.000 0.799 178 E CB 2.372 32.078 29.700 0.010 0.000 1.172 178 E HN 0.721 nan 8.360 nan 0.000 0.404 179 T N 0.763 115.330 114.554 0.022 0.000 2.861 179 T HA 0.542 4.865 4.350 -0.044 0.000 0.287 179 T C -1.294 173.439 174.700 0.055 0.000 1.003 179 T CA -0.997 61.116 62.100 0.021 0.000 0.977 179 T CB 0.634 69.513 68.868 0.017 0.000 0.996 179 T HN 0.399 nan 8.240 nan 0.000 0.448 180 K N 3.344 123.786 120.400 0.071 0.000 2.345 180 K HA 0.643 4.936 4.320 -0.044 0.000 0.255 180 K C -0.933 175.817 176.600 0.250 0.000 0.934 180 K CA -1.020 55.394 56.287 0.211 0.000 0.801 180 K CB 2.249 34.954 32.500 0.342 0.000 1.137 180 K HN 0.507 nan 8.250 nan 0.000 0.424 181 K N 1.991 122.600 120.400 0.349 0.000 2.203 181 K HA 0.493 4.786 4.320 -0.044 0.000 0.251 181 K C -0.692 176.327 176.600 0.699 0.000 0.944 181 K CA -0.704 55.794 56.287 0.352 0.000 0.829 181 K CB 0.919 33.522 32.500 0.172 0.000 1.125 181 K HN 0.308 nan 8.250 nan 0.000 0.430 182 F N 0.109 120.070 119.950 0.018 0.000 1.997 182 F HA 0.242 4.742 4.527 -0.044 0.000 0.217 182 F C 1.469 177.281 175.800 0.020 0.000 1.228 182 F CA 0.045 58.056 58.000 0.019 0.000 1.297 182 F CB -0.086 38.928 39.000 0.023 0.000 1.821 182 F HN 0.478 nan 8.300 nan 0.000 0.270 183 Q N -0.436 119.528 119.800 0.275 0.000 2.160 183 Q HA 0.226 4.539 4.340 -0.044 0.000 0.166 183 Q C 0.292 176.359 176.000 0.113 0.000 0.592 183 Q CA -0.167 55.723 55.803 0.146 0.000 0.711 183 Q CB 0.345 29.160 28.738 0.127 0.000 1.157 183 Q HN 0.219 nan 8.270 nan 0.000 0.463 184 N N 0.331 119.090 118.700 0.098 0.000 2.451 184 N HA 0.279 4.993 4.740 -0.044 0.000 0.264 184 N C -1.066 174.479 175.510 0.059 0.000 1.167 184 N CA -0.041 53.049 53.050 0.067 0.000 0.898 184 N CB 0.454 38.973 38.487 0.053 0.000 1.176 184 N HN 0.141 nan 8.380 nan 0.000 0.507 185 M N 0.064 119.707 119.600 0.072 0.000 2.484 185 M HA 0.241 4.695 4.480 -0.044 0.000 0.292 185 M C -2.101 174.188 176.300 -0.018 0.000 1.123 185 M CA -0.658 54.653 55.300 0.018 0.000 0.910 185 M CB 1.329 33.910 32.600 -0.032 0.000 1.782 185 M HN -0.159 nan 8.290 nan 0.000 0.512 186 N N 3.130 121.810 118.700 -0.034 0.000 2.671 186 N HA 0.813 5.527 4.740 -0.044 0.000 0.303 186 N C -1.376 174.034 175.510 -0.166 0.000 1.277 186 N CA -0.355 52.663 53.050 -0.053 0.000 0.933 186 N CB 1.614 40.100 38.487 -0.002 0.000 1.190 186 N HN 0.671 nan 8.380 nan 0.000 0.600 187 I N 1.230 121.713 120.570 -0.145 0.000 2.685 187 I HA 0.151 4.295 4.170 -0.044 0.000 0.289 187 I C -1.502 174.552 176.117 -0.105 0.000 1.292 187 I CA -0.623 60.553 61.300 -0.206 0.000 1.050 187 I CB 2.481 40.278 38.000 -0.339 0.000 1.301 187 I HN 0.220 nan 8.210 nan 0.000 0.425 188 L N 7.054 128.227 121.223 -0.083 0.000 2.296 188 L HA 0.821 5.134 4.340 -0.044 0.000 0.286 188 L C -0.444 176.441 176.870 0.025 0.000 1.023 188 L CA 0.395 55.239 54.840 0.008 0.000 0.812 188 L CB 1.643 43.734 42.059 0.053 0.000 1.223 188 L HN 0.687 nan 8.230 nan 0.000 0.421 189 T N 2.696 117.259 114.554 0.016 0.000 2.916 189 T HA 0.953 5.277 4.350 -0.044 0.000 0.298 189 T C -0.583 174.131 174.700 0.023 0.000 1.031 189 T CA -0.342 61.748 62.100 -0.016 0.000 0.993 189 T CB 1.617 70.428 68.868 -0.095 0.000 1.045 189 T HN 0.950 nan 8.240 nan 0.000 0.454 190 A N 1.833 124.670 122.820 0.029 0.000 2.515 190 A HA 0.948 5.241 4.320 -0.044 0.000 0.296 190 A C -1.079 176.470 177.584 -0.059 0.000 1.094 190 A CA -0.875 51.174 52.037 0.020 0.000 0.718 190 A CB 1.780 20.840 19.000 0.101 0.000 1.307 190 A HN 0.994 nan 8.150 nan 0.000 0.408 191 V N 0.467 120.327 119.914 -0.090 0.000 3.114 191 V HA 0.610 4.703 4.120 -0.044 0.000 0.308 191 V C -1.183 174.840 176.094 -0.118 0.000 1.168 191 V CA -0.638 61.567 62.300 -0.158 0.000 1.015 191 V CB 1.884 33.509 31.823 -0.331 0.000 1.050 191 V HN 0.904 nan 8.190 nan 0.000 0.433 192 L N 2.256 123.412 121.223 -0.112 0.000 2.325 192 L HA 0.819 5.133 4.340 -0.044 0.000 0.278 192 L C 0.168 177.019 176.870 -0.033 0.000 1.023 192 L CA 0.313 55.122 54.840 -0.051 0.000 0.811 192 L CB 1.935 43.970 42.059 -0.040 0.000 1.249 192 L HN 0.876 nan 8.230 nan 0.000 0.431 193 S N 1.657 117.352 115.700 -0.009 0.000 2.539 193 S HA 0.358 4.802 4.470 -0.044 0.000 0.235 193 S C 0.168 174.774 174.600 0.010 0.000 1.326 193 S CA -0.745 57.467 58.200 0.019 0.000 1.183 193 S CB 0.394 63.611 63.200 0.028 0.000 1.073 193 S HN 0.721 nan 8.310 nan 0.000 0.480 194 D N 3.819 124.226 120.400 0.012 0.000 2.327 194 D HA 0.044 4.657 4.640 -0.044 0.000 0.205 194 D C 1.686 177.988 176.300 0.004 0.000 1.036 194 D CA 2.768 56.769 54.000 0.003 0.000 0.897 194 D CB -0.207 40.599 40.800 0.009 0.000 1.117 194 D HN 0.724 nan 8.370 nan 0.000 0.471 195 G N -1.872 106.935 108.800 0.011 0.000 3.361 195 G HA2 0.069 4.002 3.960 -0.044 0.000 0.200 195 G HA3 0.069 4.002 3.960 -0.044 0.000 0.200 195 G C 1.062 175.972 174.900 0.017 0.000 1.355 195 G CA 0.107 45.214 45.100 0.011 0.000 0.798 195 G HN 0.188 nan 8.290 nan 0.000 0.803 196 L N 1.866 123.096 121.223 0.012 0.000 1.961 196 L HA 0.205 4.518 4.340 -0.044 0.000 0.209 196 L C 1.521 178.400 176.870 0.016 0.000 1.075 196 L CA 0.989 55.834 54.840 0.008 0.000 0.749 196 L CB -0.356 41.703 42.059 0.000 0.000 0.890 196 L HN 0.138 nan 8.230 nan 0.000 0.433 197 V N -0.315 119.610 119.914 0.019 0.000 3.178 197 V HA 0.013 4.106 4.120 -0.044 0.000 0.306 197 V C -0.227 175.928 176.094 0.101 0.000 1.107 197 V CA -0.218 62.104 62.300 0.036 0.000 1.195 197 V CB 0.114 31.954 31.823 0.029 0.000 0.993 197 V HN 0.513 nan 8.190 nan 0.000 0.493 198 H N 1.273 120.335 119.070 -0.013 0.000 2.856 198 H HA 0.709 5.238 4.556 -0.044 0.000 0.355 198 H C -1.731 173.588 175.328 -0.017 0.000 1.079 198 H CA -1.786 54.254 56.048 -0.013 0.000 1.240 198 H CB 1.604 31.360 29.762 -0.009 0.000 1.701 198 H HN 0.399 nan 8.280 nan 0.000 0.527 199 V N 6.947 126.884 119.914 0.038 0.000 2.445 199 V HA 0.281 4.374 4.120 -0.044 0.000 0.283 199 V C -2.368 173.648 176.094 -0.130 0.000 1.014 199 V CA -1.604 60.712 62.300 0.028 0.000 0.852 199 V CB 1.539 33.377 31.823 0.025 0.000 1.021 199 V HN 0.694 nan 8.190 nan 0.000 0.435 200 P HA 0.107 nan 4.420 nan 0.000 0.266 200 P C -0.865 176.322 177.300 -0.188 0.000 1.186 200 P CA 0.140 63.134 63.100 -0.177 0.000 0.767 200 P CB 0.437 32.072 31.700 -0.108 0.000 0.820 201 L N 3.412 124.469 121.223 -0.276 0.000 2.596 201 L HA 0.368 4.682 4.340 -0.044 0.000 0.265 201 L C -0.638 175.891 176.870 -0.569 0.000 0.962 201 L CA 0.070 54.671 54.840 -0.399 0.000 0.891 201 L CB 1.347 43.215 42.059 -0.318 0.000 1.248 201 L HN 0.212 nan 8.230 nan 0.000 0.410 202 K N 3.394 123.326 120.400 -0.781 0.000 2.375 202 K HA 0.603 4.897 4.320 -0.044 0.000 0.249 202 K C -1.682 174.288 176.600 -1.049 0.000 0.942 202 K CA -0.759 55.057 56.287 -0.786 0.000 0.806 202 K CB 2.680 34.710 32.500 -0.783 0.000 1.227 202 K HN 0.322 nan 8.250 nan 0.000 0.430 203 W N 2.376 123.356 121.300 -0.534 0.000 2.819 203 W HA 0.290 4.924 4.660 -0.045 0.000 0.337 203 W C -0.135 176.044 176.519 -0.567 0.000 1.077 203 W CA -0.860 56.205 57.345 -0.468 0.000 1.226 203 W CB 1.036 30.337 29.460 -0.265 0.000 1.419 203 W HN 0.546 nan 8.180 nan 0.000 0.502 204 F N 1.115 121.101 119.950 0.060 0.000 2.491 204 F HA 0.130 4.630 4.527 -0.044 0.000 0.223 204 F C 1.620 177.394 175.800 -0.043 0.000 1.222 204 F CA 0.198 58.177 58.000 -0.035 0.000 0.954 204 F CB -0.668 38.317 39.000 -0.026 0.000 1.085 204 F HN 0.051 nan 8.300 nan 0.000 0.641 205 N N 1.561 120.406 118.700 0.242 0.000 3.254 205 N HA 0.116 4.829 4.740 -0.044 0.000 0.308 205 N C -1.422 174.081 175.510 -0.013 0.000 1.281 205 N CA 0.213 53.313 53.050 0.083 0.000 1.212 205 N CB -0.629 37.904 38.487 0.078 0.000 1.478 205 N HN 0.404 nan 8.380 nan 0.000 0.548 206 Q N -0.884 118.834 119.800 -0.136 0.000 2.309 206 Q HA 0.249 4.563 4.340 -0.044 0.000 0.273 206 Q C -0.452 175.298 176.000 -0.417 0.000 1.040 206 Q CA -0.672 54.820 55.803 -0.518 0.000 0.834 206 Q CB 2.126 30.395 28.738 -0.781 0.000 1.345 206 Q HN -0.045 nan 8.270 nan 0.000 0.414 207 D N 0.237 120.385 120.400 -0.419 0.000 2.753 207 D HA 0.017 4.630 4.640 -0.044 0.000 0.291 207 D C 1.236 177.429 176.300 -0.180 0.000 1.075 207 D CA 0.565 54.456 54.000 -0.182 0.000 0.946 207 D CB 0.238 41.022 40.800 -0.027 0.000 1.376 207 D HN 0.591 nan 8.370 nan 0.000 0.482 208 Y N 2.195 122.463 120.300 -0.054 0.000 1.740 208 Y HA -0.365 4.158 4.550 -0.045 0.000 0.194 208 Y C 2.458 178.298 175.900 -0.101 0.000 1.024 208 Y CA 1.339 59.406 58.100 -0.055 0.000 0.930 208 Y CB -1.377 37.054 38.460 -0.048 0.000 0.802 208 Y HN -0.149 nan 8.280 nan 0.000 0.571 209 L N 0.011 121.184 121.223 -0.084 0.000 2.486 209 L HA -0.509 3.804 4.340 -0.044 0.000 0.222 209 L C 2.587 179.330 176.870 -0.211 0.000 1.121 209 L CA 2.418 57.046 54.840 -0.353 0.000 0.856 209 L CB -1.498 40.044 42.059 -0.863 0.000 0.924 209 L HN 0.627 nan 8.230 nan 0.000 0.453 210 Q N -0.184 119.531 119.800 -0.141 0.000 2.012 210 Q HA -0.264 4.050 4.340 -0.044 0.000 0.211 210 Q C 1.953 177.956 176.000 0.006 0.000 1.009 210 Q CA 3.413 59.184 55.803 -0.054 0.000 0.866 210 Q CB -0.164 28.563 28.738 -0.019 0.000 0.945 210 Q HN 0.625 nan 8.270 nan 0.000 0.414 211 T N 0.052 114.632 114.554 0.043 0.000 2.570 211 T HA -0.289 4.035 4.350 -0.044 0.000 0.266 211 T C 1.361 176.130 174.700 0.115 0.000 1.071 211 T CA 1.772 63.913 62.100 0.068 0.000 1.172 211 T CB -1.065 67.846 68.868 0.072 0.000 0.864 211 T HN 0.531 nan 8.240 nan 0.000 0.421 212 Y N 2.273 122.553 120.300 -0.034 0.000 2.014 212 Y HA -0.277 4.246 4.550 -0.044 0.000 0.270 212 Y C 2.306 178.182 175.900 -0.039 0.000 1.145 212 Y CA 1.355 59.433 58.100 -0.036 0.000 1.106 212 Y CB -0.455 37.972 38.460 -0.056 0.000 0.968 212 Y HN 0.101 nan 8.280 nan 0.000 0.484 213 L N 0.699 122.062 121.223 0.235 0.000 1.997 213 L HA -0.377 3.937 4.340 -0.044 0.000 0.227 213 L C 2.452 179.406 176.870 0.139 0.000 1.087 213 L CA 2.311 57.212 54.840 0.103 0.000 0.797 213 L CB -0.992 41.032 42.059 -0.059 0.000 0.902 213 L HN 0.219 nan 8.230 nan 0.000 0.441 214 K N -0.492 119.961 120.400 0.088 0.000 2.063 214 K HA -0.247 4.046 4.320 -0.044 0.000 0.208 214 K C 2.201 178.845 176.600 0.073 0.000 1.048 214 K CA 1.362 57.689 56.287 0.066 0.000 0.928 214 K CB -0.343 32.184 32.500 0.045 0.000 0.713 214 K HN 0.184 nan 8.250 nan 0.000 0.442 215 Q N 1.313 121.167 119.800 0.090 0.000 2.458 215 Q HA -0.154 4.160 4.340 -0.044 0.000 0.215 215 Q C 1.449 177.471 176.000 0.038 0.000 0.989 215 Q CA 1.276 57.102 55.803 0.038 0.000 0.895 215 Q CB -0.063 28.672 28.738 -0.005 0.000 0.934 215 Q HN 0.551 nan 8.270 nan 0.000 0.475 216 L N -1.819 119.471 121.223 0.112 0.000 2.666 216 L HA 0.176 4.489 4.340 -0.044 0.000 0.184 216 L C -0.087 176.834 176.870 0.084 0.000 1.092 216 L CA 0.738 55.651 54.840 0.121 0.000 0.857 216 L CB -0.580 41.635 42.059 0.261 0.000 1.281 216 L HN 0.078 nan 8.230 nan 0.000 0.489 217 T N 0.265 114.867 114.554 0.080 0.000 2.153 217 T HA 0.147 4.470 4.350 -0.044 0.000 0.179 217 T C 0.662 175.388 174.700 0.043 0.000 1.064 217 T CA 0.729 62.861 62.100 0.054 0.000 1.637 217 T CB -0.510 68.381 68.868 0.039 0.000 0.966 217 T HN 0.881 nan 8.240 nan 0.000 0.412 218 G N 3.732 112.556 108.800 0.040 0.000 4.338 218 G HA2 0.078 4.011 3.960 -0.044 0.000 0.195 218 G HA3 0.078 4.011 3.960 -0.044 0.000 0.195 218 G C -0.145 174.770 174.900 0.025 0.000 1.164 218 G CA -0.306 44.811 45.100 0.029 0.000 0.872 218 G HN 0.851 nan 8.290 nan 0.000 0.301 219 K N 1.477 121.896 120.400 0.033 0.000 2.109 219 K HA 0.565 4.859 4.320 -0.044 0.000 0.243 219 K C -0.265 176.343 176.600 0.012 0.000 1.006 219 K CA -0.500 55.801 56.287 0.024 0.000 0.917 219 K CB 1.505 34.027 32.500 0.036 0.000 1.081 219 K HN 0.544 nan 8.250 nan 0.000 0.468 220 E N 0.248 120.441 120.200 -0.012 0.000 2.283 220 E HA 0.413 4.736 4.350 -0.044 0.000 0.271 220 E C -0.674 175.883 176.600 -0.071 0.000 1.031 220 E CA -0.878 55.493 56.400 -0.049 0.000 0.868 220 E CB 1.289 30.944 29.700 -0.076 0.000 1.094 220 E HN 0.379 nan 8.360 nan 0.000 0.401 221 V N 0.344 120.188 119.914 -0.117 0.000 3.112 221 V HA 0.493 4.586 4.120 -0.044 0.000 0.310 221 V C -1.064 174.894 176.094 -0.226 0.000 1.364 221 V CA -1.226 61.023 62.300 -0.086 0.000 1.058 221 V CB 1.223 33.075 31.823 0.048 0.000 1.079 221 V HN 0.710 nan 8.190 nan 0.000 0.463 222 F N 0.329 120.309 119.950 0.049 0.000 2.426 222 F HA 0.732 5.232 4.527 -0.044 0.000 0.348 222 F C -0.120 175.705 175.800 0.042 0.000 1.124 222 F CA -0.706 57.316 58.000 0.036 0.000 1.008 222 F CB 2.000 41.008 39.000 0.013 0.000 1.139 222 F HN 0.176 nan 8.300 nan 0.000 0.452 223 V N 2.752 122.806 119.914 0.234 0.000 2.513 223 V HA 0.518 4.611 4.120 -0.044 0.000 0.299 223 V C -0.462 175.714 176.094 0.137 0.000 1.035 223 V CA -0.487 61.905 62.300 0.154 0.000 0.889 223 V CB 2.179 34.055 31.823 0.089 0.000 0.988 223 V HN 0.767 nan 8.190 nan 0.000 0.440 224 T N 3.519 118.138 114.554 0.108 0.000 2.864 224 T HA 0.760 5.084 4.350 -0.044 0.000 0.299 224 T C 0.314 175.052 174.700 0.063 0.000 1.011 224 T CA -0.084 62.065 62.100 0.081 0.000 0.975 224 T CB 1.508 70.416 68.868 0.066 0.000 0.962 224 T HN 0.976 nan 8.240 nan 0.000 0.448 225 G N 2.210 111.033 108.800 0.039 0.000 3.111 225 G HA2 0.800 4.733 3.960 -0.044 0.000 0.158 225 G HA3 0.800 4.733 3.960 -0.044 0.000 0.158 225 G C -0.762 174.137 174.900 -0.001 0.000 1.161 225 G CA -0.340 44.770 45.100 0.017 0.000 1.025 225 G HN 0.833 nan 8.290 nan 0.000 0.619 226 T N -1.980 112.561 114.554 -0.022 0.000 2.778 226 T HA 0.722 5.045 4.350 -0.044 0.000 0.293 226 T C -1.017 173.647 174.700 -0.060 0.000 1.144 226 T CA -0.624 61.447 62.100 -0.048 0.000 1.010 226 T CB 1.563 70.389 68.868 -0.071 0.000 1.325 226 T HN 0.896 nan 8.240 nan 0.000 0.515 227 V N 0.299 120.165 119.914 -0.079 0.000 2.864 227 V HA 0.717 4.810 4.120 -0.044 0.000 0.314 227 V C -0.824 175.169 176.094 -0.168 0.000 1.073 227 V CA -1.114 61.152 62.300 -0.057 0.000 0.956 227 V CB 1.892 33.736 31.823 0.035 0.000 1.023 227 V HN 0.862 nan 8.190 nan 0.000 0.435 228 K N 0.927 121.199 120.400 -0.213 0.000 2.443 228 K HA 0.358 4.651 4.320 -0.044 0.000 0.252 228 K C 0.328 176.639 176.600 -0.482 0.000 0.933 228 K CA -0.393 55.686 56.287 -0.346 0.000 0.792 228 K CB 2.147 34.369 32.500 -0.464 0.000 1.185 228 K HN 0.762 nan 8.250 nan 0.000 0.425 229 S N 2.074 117.458 115.700 -0.526 0.000 2.803 229 S HA 0.009 4.452 4.470 -0.044 0.000 0.226 229 S C 0.271 174.536 174.600 -0.558 0.000 0.962 229 S CA 0.331 58.128 58.200 -0.671 0.000 0.968 229 S CB -0.316 62.645 63.200 -0.398 0.000 0.786 229 S HN 0.473 nan 8.310 nan 0.000 0.527 230 N N 0.630 118.988 118.700 -0.570 0.000 3.184 230 N HA 0.661 5.374 4.740 -0.044 0.000 0.353 230 N C -0.459 174.696 175.510 -0.591 0.000 1.441 230 N CA 0.156 52.658 53.050 -0.913 0.000 0.723 230 N CB 1.501 39.585 38.487 -0.672 0.000 1.547 230 N HN 0.444 nan 8.380 nan 0.000 0.624 231 A N 0.055 122.563 122.820 -0.520 0.000 3.952 231 A HA -0.137 4.156 4.320 -0.044 0.000 0.215 231 A C -1.158 176.351 177.584 -0.125 0.000 1.243 231 A CA -0.216 51.704 52.037 -0.195 0.000 0.859 231 A CB -2.666 16.267 19.000 -0.111 0.000 0.970 231 A HN 0.476 nan 8.150 nan 0.000 0.538 232 Y N 0.438 120.750 120.300 0.020 0.000 2.735 232 Y HA 0.296 4.819 4.550 -0.045 0.000 0.367 232 Y C 1.742 177.658 175.900 0.026 0.000 1.333 232 Y CA 1.863 59.975 58.100 0.019 0.000 1.861 232 Y CB -0.382 38.087 38.460 0.015 0.000 1.457 232 Y HN 0.551 nan 8.280 nan 0.000 0.457 233 T N -1.543 113.123 114.554 0.188 0.000 3.351 233 T HA 0.357 4.680 4.350 -0.044 0.000 0.267 233 T C 0.458 175.227 174.700 0.115 0.000 0.841 233 T CA 0.387 62.557 62.100 0.117 0.000 0.827 233 T CB -0.515 68.399 68.868 0.077 0.000 1.230 233 T HN 0.867 nan 8.240 nan 0.000 0.696 234 G N 1.283 110.156 108.800 0.122 0.000 2.297 234 G HA2 0.167 4.100 3.960 -0.044 0.000 0.209 234 G HA3 0.167 4.100 3.960 -0.044 0.000 0.209 234 G C -1.746 173.215 174.900 0.101 0.000 1.267 234 G CA -0.174 45.004 45.100 0.130 0.000 1.127 234 G HN 0.609 nan 8.290 nan 0.000 0.498 235 Q N -1.044 118.843 119.800 0.146 0.000 2.813 235 Q HA -0.207 4.106 4.340 -0.044 0.000 0.110 235 Q C 0.711 176.832 176.000 0.202 0.000 1.481 235 Q CA 1.008 56.915 55.803 0.173 0.000 0.501 235 Q CB -0.898 27.896 28.738 0.093 0.000 0.666 235 Q HN 0.959 nan 8.270 nan 0.000 0.319 236 Y N 0.451 120.732 120.300 -0.031 0.000 2.552 236 Y HA -0.430 4.093 4.550 -0.044 0.000 0.266 236 Y C 1.073 176.946 175.900 -0.045 0.000 1.356 236 Y CA 1.995 60.064 58.100 -0.051 0.000 1.172 236 Y CB -0.296 38.134 38.460 -0.050 0.000 0.880 236 Y HN 0.801 nan 8.280 nan 0.000 0.572 237 E N -1.026 119.230 120.200 0.093 0.000 6.936 237 E HA -0.253 4.070 4.350 -0.044 0.000 0.409 237 E C -0.631 176.021 176.600 0.087 0.000 0.654 237 E CA 0.626 57.044 56.400 0.032 0.000 0.939 237 E CB -0.707 29.006 29.700 0.021 0.000 0.900 237 E HN 0.397 nan 8.360 nan 0.000 0.312 238 I N 5.306 125.881 120.570 0.009 0.000 2.312 238 I HA 0.172 4.315 4.170 -0.044 0.000 0.290 238 I C 0.323 176.404 176.117 -0.060 0.000 1.008 238 I CA -0.364 60.935 61.300 -0.001 0.000 1.226 238 I CB 0.366 38.323 38.000 -0.071 0.000 1.371 238 I HN 0.354 nan 8.210 nan 0.000 0.468 239 H N 6.415 125.348 119.070 -0.228 0.000 2.479 239 H HA 0.382 4.912 4.556 -0.044 0.000 0.335 239 H C 0.111 175.306 175.328 -0.222 0.000 1.142 239 H CA -0.889 54.992 56.048 -0.278 0.000 1.234 239 H CB 1.075 30.807 29.762 -0.050 0.000 1.503 239 H HN 0.649 nan 8.280 nan 0.000 0.510 240 N N -1.022 117.569 118.700 -0.181 0.000 3.003 240 N HA -0.158 4.555 4.740 -0.044 0.000 0.237 240 N C -0.376 175.209 175.510 0.124 0.000 0.969 240 N CA 0.595 53.683 53.050 0.062 0.000 0.941 240 N CB -0.870 37.695 38.487 0.130 0.000 1.098 240 N HN 0.692 nan 8.380 nan 0.000 0.563 241 A N 0.149 122.968 122.820 -0.002 0.000 2.260 241 A HA 0.583 4.877 4.320 -0.044 0.000 0.278 241 A C 0.295 178.057 177.584 0.297 0.000 1.269 241 A CA 0.251 52.355 52.037 0.112 0.000 0.824 241 A CB 0.568 19.580 19.000 0.020 0.000 1.238 241 A HN 0.225 nan 8.150 nan 0.000 0.507 242 E N -1.376 118.949 120.200 0.208 0.000 2.288 242 E HA 0.555 4.878 4.350 -0.044 0.000 0.268 242 E C -1.855 174.841 176.600 0.159 0.000 0.885 242 E CA -0.602 55.905 56.400 0.178 0.000 0.767 242 E CB 2.218 31.993 29.700 0.124 0.000 1.220 242 E HN 0.279 nan 8.360 nan 0.000 0.427 243 V N 2.701 122.675 119.914 0.101 0.000 2.439 243 V HA 0.221 4.314 4.120 -0.044 0.000 0.277 243 V C -0.443 175.724 176.094 0.121 0.000 1.008 243 V CA -0.778 61.582 62.300 0.100 0.000 0.846 243 V CB 1.309 33.152 31.823 0.033 0.000 1.031 243 V HN 0.692 nan 8.190 nan 0.000 0.441 244 T N 5.344 120.009 114.554 0.185 0.000 2.882 244 T HA 0.460 4.783 4.350 -0.044 0.000 0.287 244 T C -2.013 172.841 174.700 0.256 0.000 0.992 244 T CA -1.517 60.724 62.100 0.235 0.000 1.076 244 T CB 2.118 71.085 68.868 0.165 0.000 0.961 244 T HN 0.323 nan 8.240 nan 0.000 0.490 245 P HA 0.080 nan 4.420 nan 0.000 0.217 245 P C 0.499 177.931 177.300 0.220 0.000 1.235 245 P CA 0.464 63.695 63.100 0.219 0.000 0.726 245 P CB 0.336 32.143 31.700 0.178 0.000 0.664 246 K N -3.051 117.486 120.400 0.229 0.000 1.635 246 K HA 0.073 4.367 4.320 -0.044 0.000 0.283 246 K C -0.333 176.459 176.600 0.320 0.000 0.706 246 K CA -0.200 56.254 56.287 0.279 0.000 0.370 246 K CB -0.507 32.127 32.500 0.222 0.000 2.543 246 K HN 0.115 nan 8.250 nan 0.000 0.893 247 E N -1.072 119.291 120.200 0.272 0.000 4.071 247 E HA -0.144 4.179 4.350 -0.044 0.000 0.355 247 E C -0.101 176.692 176.600 0.323 0.000 0.653 247 E CA 1.038 57.594 56.400 0.259 0.000 1.298 247 E CB -1.687 28.149 29.700 0.227 0.000 1.712 247 E HN 0.780 nan 8.360 nan 0.000 0.416 248 G N 1.919 110.920 108.800 0.334 0.000 2.246 248 G HA2 -0.241 3.692 3.960 -0.044 0.000 0.296 248 G HA3 -0.241 3.692 3.960 -0.044 0.000 0.296 248 G C 0.784 175.717 174.900 0.056 0.000 0.505 248 G CA 1.047 46.194 45.100 0.078 0.000 1.301 248 G HN 0.373 nan 8.290 nan 0.000 0.412 249 E N -0.178 120.126 120.200 0.173 0.000 2.435 249 E HA -0.043 4.281 4.350 -0.044 0.000 0.195 249 E C 1.178 177.835 176.600 0.096 0.000 1.029 249 E CA 0.453 56.921 56.400 0.113 0.000 0.865 249 E CB 0.233 30.016 29.700 0.138 0.000 0.833 249 E HN 0.937 nan 8.360 nan 0.000 0.510 250 Y N -1.535 118.777 120.300 0.020 0.000 2.660 250 Y HA 0.397 4.920 4.550 -0.044 0.000 0.254 250 Y C 0.638 176.545 175.900 0.013 0.000 1.176 250 Y CA -0.418 57.702 58.100 0.033 0.000 1.195 250 Y CB 0.535 39.033 38.460 0.063 0.000 1.190 250 Y HN -0.152 nan 8.280 nan 0.000 0.535 251 V N 0.615 120.194 119.914 -0.559 0.000 3.699 251 V HA 0.403 4.497 4.120 -0.044 0.000 0.323 251 V C 0.103 175.940 176.094 -0.428 0.000 1.574 251 V CA -0.137 61.821 62.300 -0.570 0.000 1.240 251 V CB 0.019 31.393 31.823 -0.749 0.000 1.014 251 V HN 0.308 nan 8.190 nan 0.000 0.469 252 R N 1.756 122.045 120.500 -0.351 0.000 3.760 252 R HA 0.491 4.804 4.340 -0.044 0.000 0.310 252 R C 0.064 176.264 176.300 -0.166 0.000 1.414 252 R CA -0.124 55.792 56.100 -0.307 0.000 1.410 252 R CB 0.138 30.270 30.300 -0.280 0.000 1.459 252 R HN 0.472 nan 8.270 nan 0.000 0.663 253 R N -0.100 120.309 120.500 -0.152 0.000 2.930 253 R HA 0.498 4.812 4.340 -0.044 0.000 0.257 253 R C -0.213 176.014 176.300 -0.122 0.000 1.107 253 R CA -0.978 55.060 56.100 -0.104 0.000 0.999 253 R CB 1.562 31.823 30.300 -0.065 0.000 1.209 253 R HN 0.081 nan 8.270 nan 0.000 0.486 254 I N 2.339 122.816 120.570 -0.155 0.000 2.581 254 I HA 0.286 4.429 4.170 -0.044 0.000 0.288 254 I C -0.505 175.496 176.117 -0.193 0.000 1.047 254 I CA -0.469 60.711 61.300 -0.200 0.000 1.374 254 I CB 0.726 38.494 38.000 -0.387 0.000 1.423 254 I HN 0.361 nan 8.210 nan 0.000 0.549 255 L N 4.960 126.080 121.223 -0.171 0.000 2.506 255 L HA 0.728 5.041 4.340 -0.044 0.000 0.257 255 L C -2.947 173.777 176.870 -0.243 0.000 0.964 255 L CA -1.763 52.928 54.840 -0.247 0.000 0.836 255 L CB 1.482 43.413 42.059 -0.213 0.000 1.384 255 L HN 0.206 nan 8.230 nan 0.000 0.410 256 P HA 0.398 nan 4.420 nan 0.000 0.277 256 P C -1.111 175.834 177.300 -0.592 0.000 1.276 256 P CA -0.103 62.631 63.100 -0.609 0.000 0.788 256 P CB 1.513 32.666 31.700 -0.911 0.000 1.114 257 I N -0.077 120.021 120.570 -0.786 0.000 2.534 257 I HA 0.296 4.439 4.170 -0.044 0.000 0.286 257 I C -0.840 174.937 176.117 -0.567 0.000 1.094 257 I CA -0.441 60.562 61.300 -0.495 0.000 1.055 257 I CB 1.121 38.897 38.000 -0.372 0.000 1.225 257 I HN 0.214 nan 8.210 nan 0.000 0.435 258 Y N 4.491 124.700 120.300 -0.152 0.000 2.567 258 Y HA 0.568 5.091 4.550 -0.045 0.000 0.333 258 Y C 0.729 176.632 175.900 0.006 0.000 1.106 258 Y CA -0.825 57.220 58.100 -0.092 0.000 1.157 258 Y CB 1.092 39.517 38.460 -0.059 0.000 1.277 258 Y HN 0.335 nan 8.280 nan 0.000 0.490 259 R N 1.638 122.289 120.500 0.253 0.000 2.698 259 R HA 0.183 4.497 4.340 -0.044 0.000 0.266 259 R C -0.883 175.570 176.300 0.256 0.000 1.026 259 R CA 0.351 56.583 56.100 0.219 0.000 1.102 259 R CB 0.130 30.602 30.300 0.286 0.000 0.978 259 R HN 0.679 nan 8.270 nan 0.000 0.436 260 L N 0.730 122.049 121.223 0.161 0.000 2.343 260 L HA 0.543 4.857 4.340 -0.044 0.000 0.264 260 L C -0.192 176.741 176.870 0.105 0.000 1.050 260 L CA -0.807 54.114 54.840 0.135 0.000 0.956 260 L CB 2.203 44.323 42.059 0.101 0.000 1.576 260 L HN 0.588 nan 8.230 nan 0.000 0.521 261 T N 0.119 114.719 114.554 0.076 0.000 4.328 261 T HA 0.105 4.428 4.350 -0.044 0.000 0.356 261 T C -0.855 173.870 174.700 0.042 0.000 0.889 261 T CA -0.697 61.436 62.100 0.055 0.000 0.998 261 T CB 0.543 69.439 68.868 0.048 0.000 1.122 261 T HN 0.737 nan 8.240 nan 0.000 0.467 262 S N 2.312 118.033 115.700 0.036 0.000 3.129 262 S HA 0.323 4.766 4.470 -0.044 0.000 0.371 262 S C 1.499 176.115 174.600 0.026 0.000 1.196 262 S CA 0.973 59.191 58.200 0.030 0.000 0.989 262 S CB 0.149 63.364 63.200 0.024 0.000 0.695 262 S HN 1.769 nan 8.310 nan 0.000 0.499 263 G N 3.628 112.444 108.800 0.027 0.000 2.793 263 G HA2 -0.113 3.820 3.960 -0.044 0.000 0.197 263 G HA3 -0.113 3.820 3.960 -0.044 0.000 0.197 263 G C -0.036 174.882 174.900 0.029 0.000 2.112 263 G CA -0.245 44.868 45.100 0.022 0.000 1.556 263 G HN 0.940 nan 8.290 nan 0.000 0.534 264 I N 1.569 122.162 120.570 0.038 0.000 2.924 264 I HA 0.702 4.845 4.170 -0.044 0.000 0.316 264 I C 0.538 176.696 176.117 0.068 0.000 1.014 264 I CA -0.226 61.106 61.300 0.052 0.000 1.106 264 I CB 1.610 39.645 38.000 0.059 0.000 1.311 264 I HN 0.601 nan 8.210 nan 0.000 0.502 265 S N 1.209 116.959 115.700 0.083 0.000 2.599 265 S HA 0.279 4.723 4.470 -0.044 0.000 0.287 265 S C 0.369 175.040 174.600 0.119 0.000 1.105 265 S CA -0.661 57.593 58.200 0.090 0.000 0.899 265 S CB 2.405 65.654 63.200 0.082 0.000 1.100 265 S HN 0.605 nan 8.310 nan 0.000 0.482 266 Q N 1.565 121.434 119.800 0.115 0.000 2.061 266 Q HA -0.136 4.177 4.340 -0.044 0.000 0.204 266 Q C 1.769 177.861 176.000 0.153 0.000 0.984 266 Q CA 1.840 57.727 55.803 0.140 0.000 0.846 266 Q CB -0.513 28.279 28.738 0.090 0.000 0.902 266 Q HN 0.833 nan 8.270 nan 0.000 0.421 267 K N 0.355 120.829 120.400 0.124 0.000 2.097 267 K HA -0.167 4.127 4.320 -0.044 0.000 0.206 267 K C 2.106 178.790 176.600 0.139 0.000 1.049 267 K CA 1.146 57.510 56.287 0.127 0.000 0.933 267 K CB 0.172 32.739 32.500 0.111 0.000 0.717 267 K HN 0.237 nan 8.250 nan 0.000 0.442 268 Q N -0.161 119.713 119.800 0.124 0.000 1.890 268 Q HA -0.153 4.160 4.340 -0.044 0.000 0.208 268 Q C 2.152 178.245 176.000 0.155 0.000 0.982 268 Q CA 1.382 57.253 55.803 0.114 0.000 0.856 268 Q CB -0.201 28.586 28.738 0.082 0.000 0.915 268 Q HN 0.255 nan 8.270 nan 0.000 0.427 269 M N 0.542 120.249 119.600 0.179 0.000 2.128 269 M HA -0.276 4.177 4.480 -0.044 0.000 0.253 269 M C 2.130 178.678 176.300 0.413 0.000 1.079 269 M CA 1.764 57.226 55.300 0.270 0.000 1.082 269 M CB -0.874 31.910 32.600 0.308 0.000 1.335 269 M HN 0.220 nan 8.290 nan 0.000 0.401 270 R N -0.014 120.714 120.500 0.379 0.000 2.075 270 R HA -0.146 4.167 4.340 -0.044 0.000 0.230 270 R C 2.320 178.876 176.300 0.426 0.000 1.140 270 R CA 1.513 57.890 56.100 0.461 0.000 0.928 270 R CB -0.425 30.062 30.300 0.313 0.000 0.834 270 R HN 0.208 nan 8.270 nan 0.000 0.429 271 K N 1.372 121.940 120.400 0.279 0.000 2.286 271 K HA -0.177 4.117 4.320 -0.044 0.000 0.203 271 K C 1.814 178.514 176.600 0.165 0.000 1.045 271 K CA 1.342 57.758 56.287 0.216 0.000 0.935 271 K CB -0.232 32.356 32.500 0.148 0.000 0.737 271 K HN 0.354 nan 8.250 nan 0.000 0.460 272 I N -0.321 120.336 120.570 0.146 0.000 2.500 272 I HA -0.170 3.973 4.170 -0.044 0.000 0.252 272 I C 1.292 177.349 176.117 -0.100 0.000 1.142 272 I CA 0.828 62.124 61.300 -0.007 0.000 1.451 272 I CB -0.022 37.937 38.000 -0.069 0.000 1.093 272 I HN -0.031 nan 8.210 nan 0.000 0.430 273 F N 1.582 121.541 119.950 0.014 0.000 2.367 273 F HA -0.030 4.470 4.527 -0.045 0.000 0.298 273 F C 2.431 178.225 175.800 -0.011 0.000 1.094 273 F CA 0.864 58.858 58.000 -0.009 0.000 1.409 273 F CB -0.430 38.636 39.000 0.110 0.000 1.064 273 F HN 0.059 nan 8.300 nan 0.000 0.528 274 E N 0.157 120.563 120.200 0.344 0.000 2.204 274 E HA -0.212 4.111 4.350 -0.044 0.000 0.195 274 E C 1.534 178.163 176.600 0.048 0.000 0.990 274 E CA 1.345 57.890 56.400 0.242 0.000 0.821 274 E CB -0.213 29.715 29.700 0.381 0.000 0.750 274 E HN 0.563 nan 8.360 nan 0.000 0.477 275 E N -0.458 119.754 120.200 0.022 0.000 2.460 275 E HA 0.080 4.404 4.350 -0.044 0.000 0.200 275 E C 1.282 177.841 176.600 -0.070 0.000 1.011 275 E CA -0.023 56.366 56.400 -0.018 0.000 0.912 275 E CB 0.388 30.080 29.700 -0.014 0.000 0.953 275 E HN 0.226 nan 8.360 nan 0.000 0.494 276 N N -0.066 118.564 118.700 -0.116 0.000 2.503 276 N HA 0.063 4.776 4.740 -0.044 0.000 0.210 276 N C 1.638 177.062 175.510 -0.144 0.000 1.077 276 N CA 0.100 53.067 53.050 -0.137 0.000 0.855 276 N CB 0.458 38.836 38.487 -0.181 0.000 1.323 276 N HN -0.025 nan 8.380 nan 0.000 0.452 277 I N 2.545 123.007 120.570 -0.180 0.000 2.118 277 I HA -0.173 3.971 4.170 -0.044 0.000 0.241 277 I C -0.925 175.132 176.117 -0.100 0.000 1.070 277 I CA 1.719 62.921 61.300 -0.164 0.000 1.327 277 I CB -0.972 36.875 38.000 -0.255 0.000 1.034 277 I HN 0.059 nan 8.210 nan 0.000 0.405 278 P HA -0.252 nan 4.420 nan 0.000 0.213 278 P C 1.909 179.132 177.300 -0.128 0.000 1.170 278 P CA 2.251 65.252 63.100 -0.166 0.000 0.902 278 P CB -0.203 31.408 31.700 -0.148 0.000 0.789 279 S N -0.564 115.077 115.700 -0.098 0.000 2.434 279 S HA -0.274 4.169 4.470 -0.044 0.000 0.240 279 S C 1.850 176.409 174.600 -0.069 0.000 1.052 279 S CA 2.276 60.431 58.200 -0.076 0.000 1.198 279 S CB -1.418 61.743 63.200 -0.066 0.000 1.124 279 S HN -0.035 nan 8.310 nan 0.000 0.426 280 L N 0.732 121.912 121.223 -0.072 0.000 1.943 280 L HA -0.134 4.179 4.340 -0.044 0.000 0.215 280 L C 3.010 179.849 176.870 -0.052 0.000 1.074 280 L CA 1.650 56.452 54.840 -0.064 0.000 0.759 280 L CB -1.414 40.601 42.059 -0.074 0.000 0.888 280 L HN 0.548 nan 8.230 nan 0.000 0.433 281 C N -0.394 118.889 119.300 -0.028 0.000 2.249 281 C HA -0.418 4.015 4.460 -0.044 0.000 0.245 281 C C 3.141 178.117 174.990 -0.024 0.000 1.051 281 C CA 1.303 60.327 59.018 0.010 0.000 1.843 281 C CB -1.247 26.532 27.740 0.064 0.000 1.906 281 C HN 0.796 nan 8.230 nan 0.000 0.399 282 c N 0.675 119.251 118.600 -0.039 0.000 2.391 282 c HA -0.142 4.401 4.570 -0.044 0.000 0.276 282 c C 1.595 175.668 174.090 -0.027 0.000 1.191 282 c CA 1.725 58.033 56.329 -0.035 0.000 1.808 282 c CB -1.402 41.079 42.510 -0.048 0.000 2.095 282 c HN 0.801 nan 8.230 nan 0.000 0.478 283 S N 1.311 116.988 115.700 -0.038 0.000 2.485 283 S HA 0.627 5.070 4.470 -0.044 0.000 0.312 283 S C -0.587 173.982 174.600 -0.052 0.000 1.102 283 S CA 0.228 58.406 58.200 -0.038 0.000 1.066 283 S CB -0.132 63.044 63.200 -0.039 0.000 1.102 283 S HN 0.432 nan 8.310 nan 0.000 0.519 284 L N 2.489 123.688 121.223 -0.040 0.000 2.753 284 L HA 0.307 4.620 4.340 -0.044 0.000 0.259 284 L C -0.313 176.549 176.870 -0.014 0.000 0.958 284 L CA -0.555 54.255 54.840 -0.050 0.000 0.955 284 L CB 1.443 43.441 42.059 -0.101 0.000 1.317 284 L HN 0.435 nan 8.230 nan 0.000 0.436 285 K N 2.349 122.748 120.400 -0.003 0.000 2.453 285 K HA 0.022 4.316 4.320 -0.044 0.000 0.280 285 K C 0.434 177.055 176.600 0.034 0.000 1.045 285 K CA 0.044 56.341 56.287 0.017 0.000 1.059 285 K CB 0.820 33.333 32.500 0.021 0.000 0.901 285 K HN 0.418 nan 8.250 nan 0.000 0.475 286 E N 1.522 121.748 120.200 0.044 0.000 2.521 286 E HA -0.129 4.194 4.350 -0.044 0.000 0.270 286 E C 0.895 177.539 176.600 0.073 0.000 1.082 286 E CA 0.673 57.110 56.400 0.061 0.000 0.997 286 E CB 0.662 30.398 29.700 0.061 0.000 0.990 286 E HN 0.751 nan 8.360 nan 0.000 0.458 287 T N -0.255 114.353 114.554 0.091 0.000 3.311 287 T HA 0.176 4.499 4.350 -0.044 0.000 0.239 287 T C 0.654 175.431 174.700 0.129 0.000 0.976 287 T CA 0.216 62.385 62.100 0.114 0.000 1.283 287 T CB -0.363 68.585 68.868 0.133 0.000 1.113 287 T HN 0.292 nan 8.240 nan 0.000 0.392 288 L N 1.477 122.764 121.223 0.107 0.000 2.375 288 L HA 0.733 5.046 4.340 -0.044 0.000 0.271 288 L C -3.128 173.783 176.870 0.068 0.000 1.107 288 L CA -2.569 52.321 54.840 0.083 0.000 0.806 288 L CB -0.872 41.126 42.059 -0.102 0.000 1.146 288 L HN -0.084 nan 8.230 nan 0.000 0.447 289 P HA 0.072 nan 4.420 nan 0.000 0.267 289 P C 0.370 177.702 177.300 0.053 0.000 1.200 289 P CA -0.020 63.137 63.100 0.094 0.000 0.772 289 P CB 0.484 32.270 31.700 0.143 0.000 0.855 290 E N 1.667 121.895 120.200 0.047 0.000 2.209 290 E HA -0.257 4.067 4.350 -0.044 0.000 0.196 290 E C 1.890 178.502 176.600 0.020 0.000 0.993 290 E CA 0.681 57.098 56.400 0.029 0.000 0.819 290 E CB -0.033 29.685 29.700 0.030 0.000 0.745 290 E HN 0.299 nan 8.360 nan 0.000 0.477 291 R N 0.856 121.375 120.500 0.032 0.000 2.120 291 R HA -0.159 4.155 4.340 -0.044 0.000 0.234 291 R C 1.911 178.221 176.300 0.017 0.000 1.123 291 R CA 0.978 57.096 56.100 0.029 0.000 0.975 291 R CB -0.205 30.122 30.300 0.044 0.000 0.866 291 R HN 0.203 nan 8.270 nan 0.000 0.446 292 I N 0.794 121.371 120.570 0.010 0.000 2.130 292 I HA -0.283 3.860 4.170 -0.044 0.000 0.232 292 I C 2.335 178.401 176.117 -0.084 0.000 1.064 292 I CA 0.836 62.115 61.300 -0.036 0.000 1.338 292 I CB -0.742 37.213 38.000 -0.075 0.000 1.084 292 I HN 0.007 nan 8.210 nan 0.000 0.404 293 L N 0.751 121.921 121.223 -0.089 0.000 2.167 293 L HA -0.382 3.931 4.340 -0.044 0.000 0.241 293 L C 2.640 179.465 176.870 -0.074 0.000 1.123 293 L CA 2.134 56.923 54.840 -0.086 0.000 0.849 293 L CB -1.419 40.622 42.059 -0.030 0.000 0.947 293 L HN 0.404 nan 8.230 nan 0.000 0.449 294 E N -0.008 120.169 120.200 -0.039 0.000 2.209 294 E HA -0.268 4.055 4.350 -0.044 0.000 0.196 294 E C 2.070 178.645 176.600 -0.041 0.000 0.993 294 E CA 1.356 57.740 56.400 -0.027 0.000 0.819 294 E CB -0.275 29.419 29.700 -0.011 0.000 0.745 294 E HN 0.533 nan 8.360 nan 0.000 0.477 295 K N 0.985 121.353 120.400 -0.053 0.000 2.002 295 K HA -0.100 4.193 4.320 -0.044 0.000 0.209 295 K C 2.069 178.627 176.600 -0.071 0.000 1.048 295 K CA 1.134 57.392 56.287 -0.050 0.000 0.930 295 K CB 0.173 32.648 32.500 -0.043 0.000 0.714 295 K HN -0.015 nan 8.250 nan 0.000 0.438 296 R N -0.634 119.793 120.500 -0.121 0.000 2.335 296 R HA 0.091 4.405 4.340 -0.044 0.000 0.210 296 R C 0.562 176.794 176.300 -0.113 0.000 0.892 296 R CA 0.107 56.126 56.100 -0.135 0.000 1.048 296 R CB 0.583 30.747 30.300 -0.227 0.000 1.067 296 R HN 0.170 nan 8.270 nan 0.000 0.524 297 K N 0.742 121.085 120.400 -0.095 0.000 3.456 297 K HA -0.120 4.174 4.320 -0.044 0.000 0.297 297 K C -0.922 175.657 176.600 -0.036 0.000 1.371 297 K CA 0.406 56.663 56.287 -0.050 0.000 0.916 297 K CB -1.418 31.062 32.500 -0.034 0.000 1.413 297 K HN 0.258 nan 8.250 nan 0.000 0.474 298 L N 0.149 121.329 121.223 -0.073 0.000 2.325 298 L HA 0.628 4.941 4.340 -0.044 0.000 0.281 298 L C 0.590 177.463 176.870 0.004 0.000 1.004 298 L CA -1.324 53.496 54.840 -0.033 0.000 0.823 298 L CB 1.231 43.253 42.059 -0.062 0.000 1.236 298 L HN -0.034 nan 8.230 nan 0.000 0.415 299 L N 1.675 122.938 121.223 0.067 0.000 4.468 299 L HA -0.207 4.106 4.340 -0.044 0.000 0.557 299 L C 1.543 178.476 176.870 0.106 0.000 1.122 299 L CA 0.618 55.528 54.840 0.116 0.000 0.519 299 L CB -0.747 41.403 42.059 0.151 0.000 0.572 299 L HN 1.040 nan 8.230 nan 0.000 1.096 300 G N 3.043 111.913 108.800 0.118 0.000 2.911 300 G HA2 0.015 3.948 3.960 -0.044 0.000 0.193 300 G HA3 0.015 3.948 3.960 -0.044 0.000 0.193 300 G C 0.925 175.922 174.900 0.162 0.000 1.364 300 G CA 2.067 47.238 45.100 0.120 0.000 0.798 300 G HN 0.679 nan 8.290 nan 0.000 0.749 301 V N -1.616 118.413 119.914 0.192 0.000 5.911 301 V HA 0.164 4.257 4.120 -0.044 0.000 0.087 301 V C 1.792 178.053 176.094 0.279 0.000 0.936 301 V CA 0.763 63.221 62.300 0.264 0.000 1.131 301 V CB -0.552 31.371 31.823 0.166 0.000 1.861 301 V HN 0.478 nan 8.190 nan 0.000 0.591 302 K N 2.436 122.944 120.400 0.180 0.000 2.108 302 K HA -0.348 3.945 4.320 -0.044 0.000 0.217 302 K C 1.446 178.218 176.600 0.287 0.000 0.846 302 K CA 2.827 59.216 56.287 0.171 0.000 1.014 302 K CB -1.468 31.096 32.500 0.107 0.000 0.896 302 K HN 0.702 nan 8.250 nan 0.000 0.552 303 D N 0.529 121.093 120.400 0.273 0.000 2.133 303 D HA -0.204 4.409 4.640 -0.044 0.000 0.195 303 D C 2.028 178.571 176.300 0.406 0.000 0.997 303 D CA 1.662 55.876 54.000 0.356 0.000 0.840 303 D CB -0.332 40.638 40.800 0.283 0.000 0.947 303 D HN 0.453 nan 8.370 nan 0.000 0.452 304 A N 0.956 123.972 122.820 0.327 0.000 1.845 304 A HA -0.214 4.079 4.320 -0.044 0.000 0.215 304 A C 2.134 179.862 177.584 0.239 0.000 1.195 304 A CA 1.216 53.395 52.037 0.238 0.000 0.616 304 A CB -1.250 17.874 19.000 0.206 0.000 0.832 304 A HN 0.152 nan 8.150 nan 0.000 0.443 305 Y N -1.744 118.718 120.300 0.270 0.000 2.081 305 Y HA -0.312 4.212 4.550 -0.044 0.000 0.280 305 Y C 2.347 178.512 175.900 0.441 0.000 1.163 305 Y CA 1.968 60.299 58.100 0.385 0.000 1.135 305 Y CB -1.040 37.619 38.460 0.333 0.000 0.970 305 Y HN 0.467 nan 8.280 nan 0.000 0.498 306 Y N 0.385 120.914 120.300 0.382 0.000 1.997 306 Y HA -0.378 4.146 4.550 -0.044 0.000 0.265 306 Y C 2.605 178.644 175.900 0.232 0.000 1.193 306 Y CA 1.638 59.904 58.100 0.277 0.000 1.106 306 Y CB -1.133 37.459 38.460 0.220 0.000 0.940 306 Y HN 0.133 nan 8.280 nan 0.000 0.494 307 G N -0.245 108.509 108.800 -0.076 0.000 2.505 307 G HA2 -0.305 3.629 3.960 -0.044 0.000 0.220 307 G HA3 -0.305 3.629 3.960 -0.044 0.000 0.220 307 G C 1.538 176.255 174.900 -0.305 0.000 1.145 307 G CA 1.500 46.247 45.100 -0.588 0.000 0.761 307 G HN 0.412 nan 8.290 nan 0.000 0.571 308 M N -0.010 119.551 119.600 -0.065 0.000 2.435 308 M HA -0.051 4.403 4.480 -0.044 0.000 0.262 308 M C 1.804 178.122 176.300 0.029 0.000 1.065 308 M CA 1.314 56.605 55.300 -0.015 0.000 1.076 308 M CB -0.810 31.827 32.600 0.060 0.000 1.403 308 M HN 0.408 nan 8.290 nan 0.000 0.454 309 H N -2.108 117.129 119.070 0.277 0.000 2.426 309 H HA 0.193 4.722 4.556 -0.044 0.000 0.286 309 H C -0.172 175.384 175.328 0.379 0.000 0.990 309 H CA 0.513 56.869 56.048 0.513 0.000 1.237 309 H CB 0.545 30.837 29.762 0.884 0.000 1.466 309 H HN 0.113 nan 8.280 nan 0.000 0.525 310 F N 2.499 122.373 119.950 -0.125 0.000 2.542 310 F HA 0.329 4.829 4.527 -0.045 0.000 0.323 310 F C -2.466 173.115 175.800 -0.364 0.000 1.411 310 F CA -3.285 54.583 58.000 -0.221 0.000 1.124 310 F CB 0.494 39.383 39.000 -0.186 0.000 1.331 310 F HN -0.010 nan 8.300 nan 0.000 0.560 311 P HA 0.196 nan 4.420 nan 0.000 0.277 311 P C 0.146 177.396 177.300 -0.083 0.000 1.271 311 P CA -0.295 62.635 63.100 -0.284 0.000 0.795 311 P CB 1.703 33.120 31.700 -0.472 0.000 1.101 312 K N -0.465 119.974 120.400 0.064 0.000 2.895 312 K HA 0.308 4.602 4.320 -0.044 0.000 0.200 312 K C -1.047 175.557 176.600 0.007 0.000 1.133 312 K CA -0.125 56.164 56.287 0.003 0.000 1.060 312 K CB 0.140 32.681 32.500 0.068 0.000 0.735 312 K HN 0.476 nan 8.250 nan 0.000 0.451 313 T N -0.635 113.906 114.554 -0.021 0.000 3.486 313 T HA 0.247 4.571 4.350 -0.044 0.000 0.375 313 T C 0.027 174.734 174.700 0.012 0.000 1.459 313 T CA -0.493 61.650 62.100 0.071 0.000 1.151 313 T CB 0.376 69.347 68.868 0.172 0.000 1.336 313 T HN -0.054 nan 8.240 nan 0.000 0.477 314 F N 1.308 121.268 119.950 0.017 0.000 2.365 314 F HA 0.041 4.542 4.527 -0.044 0.000 0.300 314 F C 2.024 177.818 175.800 -0.011 0.000 1.090 314 F CA 0.970 58.934 58.000 -0.062 0.000 1.408 314 F CB -0.195 38.768 39.000 -0.061 0.000 1.060 314 F HN 0.790 nan 8.300 nan 0.000 0.534 315 Y N 0.183 120.559 120.300 0.126 0.000 2.081 315 Y HA -0.363 4.161 4.550 -0.044 0.000 0.280 315 Y C 2.672 178.618 175.900 0.076 0.000 1.163 315 Y CA 2.271 60.415 58.100 0.074 0.000 1.135 315 Y CB -1.043 37.450 38.460 0.055 0.000 0.970 315 Y HN 0.163 nan 8.280 nan 0.000 0.498 316 H N -0.624 118.505 119.070 0.099 0.000 2.708 316 H HA -0.363 4.166 4.556 -0.044 0.000 0.294 316 H C 2.371 177.603 175.328 -0.160 0.000 1.048 316 H CA 2.022 58.043 56.048 -0.044 0.000 1.090 316 H CB -0.690 29.032 29.762 -0.068 0.000 1.475 316 H HN 0.438 nan 8.280 nan 0.000 0.721 317 L N 0.847 121.982 121.223 -0.147 0.000 2.077 317 L HA -0.377 3.936 4.340 -0.044 0.000 0.231 317 L C 2.392 179.148 176.870 -0.190 0.000 1.100 317 L CA 2.705 57.382 54.840 -0.272 0.000 0.819 317 L CB -0.720 41.095 42.059 -0.406 0.000 0.913 317 L HN 0.583 nan 8.230 nan 0.000 0.446 318 E N -0.334 119.774 120.200 -0.152 0.000 2.037 318 E HA -0.364 3.960 4.350 -0.044 0.000 0.214 318 E C 2.084 178.553 176.600 -0.218 0.000 1.041 318 E CA 2.126 58.417 56.400 -0.182 0.000 0.872 318 E CB -0.222 29.346 29.700 -0.219 0.000 0.785 318 E HN 0.313 nan 8.360 nan 0.000 0.476 319 K N -0.389 119.825 120.400 -0.311 0.000 2.520 319 K HA -0.171 4.122 4.320 -0.044 0.000 0.198 319 K C 1.152 177.693 176.600 -0.098 0.000 1.045 319 K CA 1.145 57.298 56.287 -0.224 0.000 0.934 319 K CB -0.177 32.185 32.500 -0.230 0.000 0.766 319 K HN 0.307 nan 8.250 nan 0.000 0.483 320 A N -0.405 122.353 122.820 -0.104 0.000 1.920 320 A HA 0.064 4.357 4.320 -0.044 0.000 0.209 320 A C 1.888 179.389 177.584 -0.137 0.000 1.229 320 A CA 0.375 52.359 52.037 -0.088 0.000 0.671 320 A CB -0.114 18.804 19.000 -0.136 0.000 0.886 320 A HN 0.181 nan 8.150 nan 0.000 0.461 321 R N 0.218 120.610 120.500 -0.180 0.000 2.096 321 R HA -0.194 4.119 4.340 -0.044 0.000 0.229 321 R C 2.219 178.444 176.300 -0.126 0.000 1.134 321 R CA 1.769 57.752 56.100 -0.196 0.000 0.917 321 R CB -0.650 29.538 30.300 -0.186 0.000 0.832 321 R HN 0.754 nan 8.270 nan 0.000 0.430 322 E N 0.514 120.651 120.200 -0.106 0.000 2.200 322 E HA -0.342 3.981 4.350 -0.044 0.000 0.211 322 E C 2.183 178.767 176.600 -0.027 0.000 1.048 322 E CA 1.637 57.996 56.400 -0.068 0.000 0.851 322 E CB -0.036 29.608 29.700 -0.094 0.000 0.747 322 E HN 0.082 nan 8.360 nan 0.000 0.462 323 R N 0.747 121.226 120.500 -0.035 0.000 2.062 323 R HA 0.022 4.336 4.340 -0.044 0.000 0.226 323 R C 2.439 178.769 176.300 0.050 0.000 1.125 323 R CA 1.123 57.227 56.100 0.007 0.000 0.966 323 R CB -0.903 29.410 30.300 0.021 0.000 0.861 323 R HN 0.400 nan 8.270 nan 0.000 0.433 324 L N 0.416 121.634 121.223 -0.008 0.000 2.450 324 L HA -0.096 4.217 4.340 -0.044 0.000 0.224 324 L C 1.829 178.685 176.870 -0.023 0.000 1.149 324 L CA 1.127 55.952 54.840 -0.025 0.000 0.816 324 L CB -0.256 41.693 42.059 -0.182 0.000 0.932 324 L HN 0.250 nan 8.230 nan 0.000 0.449 325 A N -1.479 121.331 122.820 -0.017 0.000 1.983 325 A HA -0.124 4.169 4.320 -0.044 0.000 0.207 325 A C 1.917 179.510 177.584 0.015 0.000 1.412 325 A CA 0.083 52.090 52.037 -0.051 0.000 0.750 325 A CB -0.742 18.209 19.000 -0.082 0.000 1.047 325 A HN 0.319 nan 8.150 nan 0.000 0.504 326 Y N 1.512 121.779 120.300 -0.056 0.000 2.062 326 Y HA -0.415 4.109 4.550 -0.044 0.000 0.273 326 Y C 2.269 178.182 175.900 0.022 0.000 1.206 326 Y CA 3.060 61.143 58.100 -0.028 0.000 1.125 326 Y CB -0.386 38.043 38.460 -0.050 0.000 0.951 326 Y HN 0.502 nan 8.280 nan 0.000 0.501 327 E N 0.708 121.045 120.200 0.228 0.000 2.095 327 E HA -0.362 3.961 4.350 -0.044 0.000 0.212 327 E C 1.888 178.550 176.600 0.104 0.000 1.044 327 E CA 2.574 59.073 56.400 0.165 0.000 0.857 327 E CB -0.580 29.226 29.700 0.177 0.000 0.764 327 E HN 0.802 nan 8.360 nan 0.000 0.462 328 E N -0.718 119.524 120.200 0.070 0.000 2.502 328 E HA -0.079 4.244 4.350 -0.044 0.000 0.194 328 E C 1.569 178.211 176.600 0.069 0.000 1.062 328 E CA 0.214 56.666 56.400 0.087 0.000 0.867 328 E CB 0.109 29.863 29.700 0.091 0.000 0.888 328 E HN 0.272 nan 8.360 nan 0.000 0.510 329 L N -0.069 121.137 121.223 -0.029 0.000 2.253 329 L HA 0.148 4.461 4.340 -0.044 0.000 0.205 329 L C 1.870 178.694 176.870 -0.076 0.000 1.078 329 L CA 0.934 55.736 54.840 -0.063 0.000 0.805 329 L CB -0.849 41.116 42.059 -0.157 0.000 0.963 329 L HN 0.212 nan 8.230 nan 0.000 0.459 330 F N -0.270 119.464 119.950 -0.360 0.000 2.027 330 F HA -0.367 4.133 4.527 -0.044 0.000 0.297 330 F C 2.498 178.223 175.800 -0.125 0.000 1.129 330 F CA 1.907 59.716 58.000 -0.318 0.000 1.195 330 F CB -0.170 38.637 39.000 -0.322 0.000 0.960 330 F HN -0.167 nan 8.300 nan 0.000 0.485 331 V N 0.830 120.767 119.914 0.037 0.000 2.418 331 V HA -0.366 3.727 4.120 -0.044 0.000 0.258 331 V C 2.107 178.166 176.094 -0.058 0.000 1.088 331 V CA 1.971 64.253 62.300 -0.030 0.000 1.091 331 V CB -0.509 31.354 31.823 0.066 0.000 0.669 331 V HN 0.355 nan 8.190 nan 0.000 0.461 332 L N -1.417 119.807 121.223 0.002 0.000 2.051 332 L HA -0.053 4.261 4.340 -0.044 0.000 0.202 332 L C 2.549 179.517 176.870 0.163 0.000 1.097 332 L CA 1.099 56.006 54.840 0.113 0.000 0.762 332 L CB -1.050 41.109 42.059 0.167 0.000 0.913 332 L HN 0.197 nan 8.230 nan 0.000 0.447 333 Q N 0.292 120.122 119.800 0.050 0.000 2.344 333 Q HA -0.239 4.075 4.340 -0.044 0.000 0.212 333 Q C 2.113 178.056 176.000 -0.095 0.000 0.991 333 Q CA 1.337 57.135 55.803 -0.009 0.000 0.897 333 Q CB -0.342 28.316 28.738 -0.133 0.000 0.915 333 Q HN 0.524 nan 8.270 nan 0.000 0.438 334 L N -0.168 120.882 121.223 -0.287 0.000 1.961 334 L HA -0.163 4.150 4.340 -0.044 0.000 0.209 334 L C 2.316 179.046 176.870 -0.233 0.000 1.075 334 L CA 1.499 56.089 54.840 -0.417 0.000 0.749 334 L CB -0.956 40.725 42.059 -0.629 0.000 0.890 334 L HN 0.193 nan 8.230 nan 0.000 0.433 335 A N -0.436 122.269 122.820 -0.193 0.000 1.997 335 A HA -0.282 4.011 4.320 -0.044 0.000 0.221 335 A C 1.961 179.418 177.584 -0.212 0.000 1.172 335 A CA 1.803 53.719 52.037 -0.202 0.000 0.645 335 A CB -0.839 18.033 19.000 -0.214 0.000 0.813 335 A HN 0.363 nan 8.150 nan 0.000 0.454 336 F N -0.222 119.646 119.950 -0.136 0.000 2.000 336 F HA -0.201 4.300 4.527 -0.045 0.000 0.295 336 F C 2.857 178.592 175.800 -0.108 0.000 1.159 336 F CA 2.028 59.967 58.000 -0.101 0.000 1.171 336 F CB -0.613 38.334 39.000 -0.088 0.000 0.971 336 F HN 0.159 nan 8.300 nan 0.000 0.479 337 Q N 0.773 120.631 119.800 0.097 0.000 2.118 337 Q HA -0.276 4.038 4.340 -0.044 0.000 0.211 337 Q C 2.037 178.003 176.000 -0.055 0.000 0.998 337 Q CA 1.655 57.460 55.803 0.002 0.000 0.872 337 Q CB -0.841 27.868 28.738 -0.050 0.000 0.925 337 Q HN 0.462 nan 8.270 nan 0.000 0.414 338 K N -0.136 120.192 120.400 -0.120 0.000 2.362 338 K HA -0.158 4.135 4.320 -0.044 0.000 0.202 338 K C 1.817 178.350 176.600 -0.110 0.000 1.045 338 K CA 0.789 56.988 56.287 -0.147 0.000 0.936 338 K CB -0.028 32.356 32.500 -0.193 0.000 0.747 338 K HN 0.131 nan 8.250 nan 0.000 0.467 339 I N -0.504 120.008 120.570 -0.098 0.000 2.681 339 I HA -0.078 4.065 4.170 -0.044 0.000 0.247 339 I C 2.201 178.289 176.117 -0.047 0.000 1.091 339 I CA 0.507 61.750 61.300 -0.095 0.000 1.442 339 I CB -0.183 37.735 38.000 -0.137 0.000 1.219 339 I HN -0.091 nan 8.210 nan 0.000 0.451 340 R N 1.087 121.583 120.500 -0.007 0.000 2.139 340 R HA -0.239 4.074 4.340 -0.044 0.000 0.243 340 R C 2.299 178.604 176.300 0.008 0.000 1.145 340 R CA 1.497 57.608 56.100 0.019 0.000 0.976 340 R CB -0.107 30.224 30.300 0.051 0.000 0.866 340 R HN 0.203 nan 8.270 nan 0.000 0.449 341 K N 0.824 121.223 120.400 -0.002 0.000 2.044 341 K HA -0.176 4.117 4.320 -0.044 0.000 0.204 341 K C 1.642 178.253 176.600 0.017 0.000 1.049 341 K CA 1.907 58.201 56.287 0.012 0.000 0.945 341 K CB -0.188 32.316 32.500 0.007 0.000 0.724 341 K HN 0.009 nan 8.250 nan 0.000 0.440 342 E N 1.267 121.464 120.200 -0.006 0.000 2.393 342 E HA -0.144 4.180 4.350 -0.044 0.000 0.201 342 E C 1.815 178.408 176.600 -0.011 0.000 1.025 342 E CA 1.185 57.580 56.400 -0.009 0.000 0.856 342 E CB -0.023 29.642 29.700 -0.059 0.000 0.771 342 E HN 0.330 nan 8.360 nan 0.000 0.526 343 R N -0.598 119.897 120.500 -0.008 0.000 2.156 343 R HA 0.044 4.358 4.340 -0.044 0.000 0.207 343 R C 1.752 178.076 176.300 0.040 0.000 1.040 343 R CA 0.809 56.908 56.100 -0.001 0.000 1.013 343 R CB 0.068 30.362 30.300 -0.009 0.000 0.931 343 R HN 0.086 nan 8.270 nan 0.000 0.465 344 E N 0.895 121.119 120.200 0.040 0.000 2.110 344 E HA -0.135 4.188 4.350 -0.044 0.000 0.193 344 E C 1.512 178.150 176.600 0.063 0.000 0.988 344 E CA 1.181 57.609 56.400 0.047 0.000 0.804 344 E CB 0.137 29.863 29.700 0.043 0.000 0.745 344 E HN -0.045 nan 8.360 nan 0.000 0.458 345 K N -0.035 120.418 120.400 0.088 0.000 1.975 345 K HA -0.140 4.153 4.320 -0.044 0.000 0.224 345 K C 2.044 178.718 176.600 0.123 0.000 1.038 345 K CA 1.615 57.968 56.287 0.111 0.000 1.009 345 K CB -1.364 31.243 32.500 0.178 0.000 0.750 345 K HN 0.213 nan 8.250 nan 0.000 0.445 346 H N 0.033 119.101 119.070 -0.003 0.000 2.523 346 H HA -0.048 4.481 4.556 -0.044 0.000 0.296 346 H C 0.909 176.230 175.328 -0.012 0.000 1.106 346 H CA 1.233 57.276 56.048 -0.008 0.000 1.230 346 H CB -0.777 28.978 29.762 -0.012 0.000 1.359 346 H HN 0.590 nan 8.280 nan 0.000 0.552 347 G N -1.456 107.404 108.800 0.099 0.000 2.881 347 G HA2 -0.019 3.915 3.960 -0.044 0.000 0.681 347 G HA3 -0.019 3.915 3.960 -0.044 0.000 0.681 347 G C 0.535 175.453 174.900 0.030 0.000 1.567 347 G CA -0.088 45.039 45.100 0.045 0.000 1.013 347 G HN 0.716 nan 8.290 nan 0.000 0.580 348 G N -0.893 107.913 108.800 0.009 0.000 2.971 348 G HA2 0.911 4.844 3.960 -0.044 0.000 0.235 348 G HA3 0.911 4.844 3.960 -0.044 0.000 0.235 348 G C -0.336 174.547 174.900 -0.028 0.000 1.351 348 G CA -0.214 44.879 45.100 -0.011 0.000 1.039 348 G HN 1.873 nan 8.290 nan 0.000 0.563 349 I N -0.220 120.324 120.570 -0.042 0.000 2.775 349 I HA 0.577 4.721 4.170 -0.044 0.000 0.295 349 I C -2.946 173.177 176.117 0.010 0.000 1.287 349 I CA -2.160 59.113 61.300 -0.044 0.000 1.029 349 I CB 3.000 40.907 38.000 -0.154 0.000 1.282 349 I HN 0.380 nan 8.210 nan 0.000 0.426 350 P HA 0.712 nan 4.420 nan 0.000 0.319 350 P C -1.864 175.546 177.300 0.183 0.000 1.291 350 P CA -0.733 62.426 63.100 0.099 0.000 0.817 350 P CB 1.529 33.264 31.700 0.059 0.000 1.349 351 K N -1.743 118.732 120.400 0.125 0.000 2.755 351 K HA 0.395 4.688 4.320 -0.044 0.000 0.294 351 K C -1.272 175.332 176.600 0.007 0.000 1.060 351 K CA -0.783 55.547 56.287 0.073 0.000 0.845 351 K CB 1.309 33.830 32.500 0.035 0.000 1.539 351 K HN 0.241 nan 8.250 nan 0.000 0.379 352 K N 1.123 121.503 120.400 -0.034 0.000 2.098 352 K HA 0.572 4.865 4.320 -0.044 0.000 0.244 352 K C -0.834 175.729 176.600 -0.061 0.000 1.014 352 K CA -0.520 55.742 56.287 -0.041 0.000 0.917 352 K CB 0.685 33.160 32.500 -0.043 0.000 1.072 352 K HN 0.427 nan 8.250 nan 0.000 0.477 353 I N 1.691 122.230 120.570 -0.051 0.000 2.680 353 I HA 0.143 4.287 4.170 -0.044 0.000 0.291 353 I C -1.159 174.931 176.117 -0.045 0.000 1.244 353 I CA -0.589 60.680 61.300 -0.051 0.000 1.042 353 I CB 2.054 40.031 38.000 -0.038 0.000 1.277 353 I HN 0.690 nan 8.210 nan 0.000 0.423 354 E N 3.699 123.870 120.200 -0.048 0.000 2.001 354 E HA 0.252 4.575 4.350 -0.044 0.000 0.279 354 E C 1.320 177.904 176.600 -0.027 0.000 1.045 354 E CA -0.256 56.119 56.400 -0.042 0.000 0.833 354 E CB 1.457 31.123 29.700 -0.055 0.000 1.077 354 E HN 0.895 nan 8.360 nan 0.000 0.397 355 G N 4.107 112.896 108.800 -0.019 0.000 2.626 355 G HA2 -0.354 3.579 3.960 -0.044 0.000 0.224 355 G HA3 -0.354 3.579 3.960 -0.044 0.000 0.224 355 G C 1.376 176.281 174.900 0.009 0.000 1.095 355 G CA 0.712 45.811 45.100 -0.002 0.000 0.738 355 G HN 0.360 nan 8.290 nan 0.000 0.600 356 K N 0.096 120.489 120.400 -0.010 0.000 1.976 356 K HA -0.227 4.066 4.320 -0.044 0.000 0.233 356 K C 2.408 178.999 176.600 -0.017 0.000 1.032 356 K CA 1.613 57.888 56.287 -0.019 0.000 1.032 356 K CB -1.152 31.320 32.500 -0.047 0.000 0.733 356 K HN 0.362 nan 8.250 nan 0.000 0.448 357 L N 0.327 121.510 121.223 -0.066 0.000 1.978 357 L HA -0.338 3.976 4.340 -0.044 0.000 0.235 357 L C 2.720 179.638 176.870 0.081 0.000 1.094 357 L CA 1.912 56.690 54.840 -0.104 0.000 0.814 357 L CB -1.031 40.928 42.059 -0.166 0.000 0.911 357 L HN 0.441 nan 8.230 nan 0.000 0.442 358 A N 0.094 123.003 122.820 0.148 0.000 1.884 358 A HA -0.351 3.943 4.320 -0.044 0.000 0.219 358 A C 2.162 179.870 177.584 0.208 0.000 1.197 358 A CA 2.440 54.626 52.037 0.249 0.000 0.637 358 A CB -0.934 18.240 19.000 0.290 0.000 0.827 358 A HN 0.640 nan 8.150 nan 0.000 0.450 359 E N -0.507 119.774 120.200 0.135 0.000 2.136 359 E HA -0.273 4.050 4.350 -0.044 0.000 0.202 359 E C 1.862 178.536 176.600 0.122 0.000 1.019 359 E CA 1.875 58.336 56.400 0.103 0.000 0.819 359 E CB -0.134 29.605 29.700 0.064 0.000 0.739 359 E HN 0.603 nan 8.360 nan 0.000 0.458 360 E N 0.238 120.524 120.200 0.144 0.000 1.999 360 E HA -0.162 4.161 4.350 -0.044 0.000 0.194 360 E C 1.957 178.727 176.600 0.284 0.000 0.995 360 E CA 1.175 57.681 56.400 0.178 0.000 0.825 360 E CB -0.943 28.862 29.700 0.175 0.000 0.777 360 E HN 0.438 nan 8.360 nan 0.000 0.459 361 F N 0.803 120.862 119.950 0.181 0.000 2.082 361 F HA -0.336 4.163 4.527 -0.046 0.000 0.298 361 F C 2.363 178.204 175.800 0.068 0.000 1.091 361 F CA 0.933 59.041 58.000 0.179 0.000 1.230 361 F CB -0.058 39.080 39.000 0.230 0.000 0.983 361 F HN 0.020 nan 8.300 nan 0.000 0.485 362 I N 0.468 121.173 120.570 0.225 0.000 2.202 362 I HA -0.303 3.840 4.170 -0.044 0.000 0.242 362 I C 2.244 178.372 176.117 0.017 0.000 1.091 362 I CA 1.556 62.874 61.300 0.031 0.000 1.368 362 I CB -0.497 37.524 38.000 0.036 0.000 1.058 362 I HN -0.037 nan 8.210 nan 0.000 0.410 363 K N -0.231 120.205 120.400 0.060 0.000 2.280 363 K HA -0.141 4.152 4.320 -0.044 0.000 0.202 363 K C 2.361 178.970 176.600 0.014 0.000 1.047 363 K CA 1.076 57.378 56.287 0.026 0.000 0.942 363 K CB -0.124 32.398 32.500 0.038 0.000 0.739 363 K HN 0.168 nan 8.250 nan 0.000 0.457 364 S N 0.754 116.495 115.700 0.069 0.000 2.383 364 S HA -0.062 4.381 4.470 -0.044 0.000 0.229 364 S C 0.773 175.357 174.600 -0.026 0.000 1.030 364 S CA 0.658 58.889 58.200 0.052 0.000 1.002 364 S CB -0.165 63.110 63.200 0.125 0.000 0.829 364 S HN 0.129 nan 8.310 nan 0.000 0.467 365 L N 1.777 122.933 121.223 -0.111 0.000 2.474 365 L HA 0.171 4.485 4.340 -0.044 0.000 0.259 365 L C -0.834 175.831 176.870 -0.341 0.000 1.232 365 L CA -1.390 53.251 54.840 -0.333 0.000 0.821 365 L CB -0.470 41.119 42.059 -0.783 0.000 1.108 365 L HN 0.125 nan 8.230 nan 0.000 0.495 366 P HA -0.073 nan 4.420 nan 0.000 0.204 366 P C 0.527 177.692 177.300 -0.225 0.000 1.215 366 P CA 0.422 63.408 63.100 -0.189 0.000 0.908 366 P CB -0.191 31.482 31.700 -0.046 0.000 0.738 367 F N 1.102 121.061 119.950 0.014 0.000 2.741 367 F HA -0.039 4.460 4.527 -0.046 0.000 0.303 367 F C 1.750 177.553 175.800 0.004 0.000 1.178 367 F CA -0.460 57.545 58.000 0.008 0.000 1.335 367 F CB -0.962 38.039 39.000 0.003 0.000 1.082 367 F HN -0.100 nan 8.300 nan 0.000 0.622 368 K N -0.153 120.513 120.400 0.443 0.000 1.968 368 K HA 0.294 4.587 4.320 -0.044 0.000 0.215 368 K C -0.353 176.457 176.600 0.349 0.000 1.040 368 K CA 1.193 57.650 56.287 0.282 0.000 0.959 368 K CB -0.502 32.100 32.500 0.171 0.000 0.740 368 K HN 0.506 nan 8.250 nan 0.000 0.443 369 L N -1.479 119.945 121.223 0.334 0.000 3.872 369 L HA -0.072 4.241 4.340 -0.044 0.000 0.200 369 L C -1.476 175.436 176.870 0.071 0.000 1.030 369 L CA 0.556 55.514 54.840 0.197 0.000 1.023 369 L CB -0.272 41.890 42.059 0.171 0.000 1.304 369 L HN 0.652 nan 8.230 nan 0.000 0.361 370 T N -1.175 113.397 114.554 0.030 0.000 2.916 370 T HA 0.517 4.840 4.350 -0.044 0.000 0.292 370 T C 0.588 175.305 174.700 0.028 0.000 1.064 370 T CA -0.083 62.027 62.100 0.017 0.000 1.011 370 T CB 1.585 70.449 68.868 -0.007 0.000 1.152 370 T HN 0.591 nan 8.240 nan 0.000 0.510 371 N N 0.340 119.056 118.700 0.026 0.000 2.396 371 N HA -0.026 4.687 4.740 -0.044 0.000 0.180 371 N C 1.991 177.517 175.510 0.027 0.000 1.028 371 N CA 0.984 54.051 53.050 0.029 0.000 0.893 371 N CB -0.190 38.311 38.487 0.024 0.000 0.967 371 N HN 0.767 nan 8.380 nan 0.000 0.440 372 A N 1.583 124.415 122.820 0.020 0.000 1.835 372 A HA -0.188 4.105 4.320 -0.044 0.000 0.215 372 A C 2.093 179.692 177.584 0.025 0.000 1.199 372 A CA 1.281 53.329 52.037 0.018 0.000 0.615 372 A CB -0.691 18.318 19.000 0.014 0.000 0.838 372 A HN 0.311 nan 8.150 nan 0.000 0.444 373 Q N -0.486 119.323 119.800 0.015 0.000 2.226 373 Q HA -0.149 4.164 4.340 -0.044 0.000 0.204 373 Q C 2.057 178.080 176.000 0.039 0.000 0.975 373 Q CA 1.527 57.335 55.803 0.008 0.000 0.866 373 Q CB -0.177 28.547 28.738 -0.024 0.000 0.915 373 Q HN 0.640 nan 8.270 nan 0.000 0.440 374 K N 0.823 121.257 120.400 0.057 0.000 1.991 374 K HA -0.197 4.096 4.320 -0.044 0.000 0.212 374 K C 2.187 178.860 176.600 0.121 0.000 1.049 374 K CA 1.391 57.739 56.287 0.102 0.000 0.932 374 K CB -0.104 32.442 32.500 0.077 0.000 0.717 374 K HN 0.074 nan 8.250 nan 0.000 0.441 375 R N 0.616 121.159 120.500 0.073 0.000 2.094 375 R HA -0.214 4.099 4.340 -0.044 0.000 0.239 375 R C 2.158 178.504 176.300 0.077 0.000 1.137 375 R CA 1.748 57.884 56.100 0.060 0.000 0.943 375 R CB -0.537 29.784 30.300 0.034 0.000 0.850 375 R HN 0.243 nan 8.270 nan 0.000 0.433 376 A N 0.882 123.743 122.820 0.069 0.000 1.969 376 A HA -0.323 3.970 4.320 -0.044 0.000 0.223 376 A C 2.098 179.759 177.584 0.129 0.000 1.218 376 A CA 2.318 54.398 52.037 0.073 0.000 0.667 376 A CB -1.158 17.871 19.000 0.048 0.000 0.826 376 A HN 0.665 nan 8.150 nan 0.000 0.472 377 H N -0.957 118.122 119.070 0.014 0.000 2.268 377 H HA -0.030 4.500 4.556 -0.044 0.000 0.304 377 H C 2.212 177.549 175.328 0.016 0.000 1.064 377 H CA 1.846 57.904 56.048 0.016 0.000 1.316 377 H CB -0.347 29.424 29.762 0.016 0.000 1.386 377 H HN 0.385 nan 8.280 nan 0.000 0.496 378 Q N 0.592 120.423 119.800 0.051 0.000 2.248 378 Q HA -0.166 4.147 4.340 -0.044 0.000 0.208 378 Q C 2.223 178.215 176.000 -0.014 0.000 0.984 378 Q CA 1.708 57.487 55.803 -0.040 0.000 0.875 378 Q CB -0.233 28.500 28.738 -0.008 0.000 0.910 378 Q HN 0.787 nan 8.270 nan 0.000 0.433 379 E N -0.063 120.153 120.200 0.028 0.000 2.024 379 E HA -0.088 4.235 4.350 -0.044 0.000 0.190 379 E C 2.018 178.637 176.600 0.032 0.000 0.974 379 E CA 0.315 56.731 56.400 0.027 0.000 0.810 379 E CB -0.234 29.487 29.700 0.035 0.000 0.775 379 E HN 0.224 nan 8.360 nan 0.000 0.453 380 I N 1.165 121.769 120.570 0.057 0.000 2.094 380 I HA -0.417 3.727 4.170 -0.044 0.000 0.236 380 I C 2.937 179.080 176.117 0.044 0.000 1.016 380 I CA 2.065 63.402 61.300 0.061 0.000 1.294 380 I CB -0.449 37.610 38.000 0.097 0.000 1.006 380 I HN 0.218 nan 8.210 nan 0.000 0.397 381 R N 0.712 121.231 120.500 0.032 0.000 2.248 381 R HA -0.328 3.985 4.340 -0.044 0.000 0.236 381 R C 1.990 178.289 176.300 -0.001 0.000 1.111 381 R CA 3.061 59.156 56.100 -0.009 0.000 0.894 381 R CB -0.679 29.564 30.300 -0.095 0.000 0.905 381 R HN 0.439 nan 8.270 nan 0.000 0.426 382 N N -0.761 117.932 118.700 -0.012 0.000 2.091 382 N HA -0.214 4.499 4.740 -0.044 0.000 0.193 382 N C 1.382 176.897 175.510 0.009 0.000 1.021 382 N CA 1.728 54.775 53.050 -0.005 0.000 0.862 382 N CB -0.223 38.259 38.487 -0.008 0.000 1.018 382 N HN 0.331 nan 8.380 nan 0.000 0.429 383 D N -0.303 120.106 120.400 0.015 0.000 2.234 383 D HA 0.030 4.644 4.640 -0.044 0.000 0.205 383 D C 1.876 178.191 176.300 0.024 0.000 0.962 383 D CA 0.711 54.722 54.000 0.019 0.000 0.855 383 D CB 0.208 41.021 40.800 0.021 0.000 0.951 383 D HN 0.225 nan 8.370 nan 0.000 0.500 384 M N -0.413 119.205 119.600 0.030 0.000 2.098 384 M HA -0.056 4.397 4.480 -0.044 0.000 0.262 384 M C 2.207 178.535 176.300 0.047 0.000 1.072 384 M CA 0.913 56.238 55.300 0.042 0.000 1.133 384 M CB -0.326 32.306 32.600 0.053 0.000 1.344 384 M HN 0.051 nan 8.290 nan 0.000 0.414 385 I N -0.091 120.501 120.570 0.037 0.000 2.229 385 I HA -0.255 3.889 4.170 -0.044 0.000 0.250 385 I C 1.356 177.491 176.117 0.030 0.000 1.096 385 I CA 0.552 61.872 61.300 0.032 0.000 1.358 385 I CB -0.400 37.608 38.000 0.013 0.000 1.047 385 I HN 0.158 nan 8.210 nan 0.000 0.422 386 S N 0.766 116.480 115.700 0.024 0.000 2.572 386 S HA -0.013 4.431 4.470 -0.044 0.000 0.279 386 S C 1.177 175.790 174.600 0.021 0.000 1.341 386 S CA -0.532 57.680 58.200 0.020 0.000 1.043 386 S CB 0.569 63.778 63.200 0.016 0.000 0.887 386 S HN 0.206 nan 8.310 nan 0.000 0.516 387 E N 2.091 122.302 120.200 0.019 0.000 2.501 387 E HA -0.109 4.214 4.350 -0.044 0.000 0.203 387 E C 0.533 177.141 176.600 0.014 0.000 1.072 387 E CA 0.818 57.229 56.400 0.017 0.000 0.885 387 E CB -0.436 29.273 29.700 0.016 0.000 0.813 387 E HN 0.641 nan 8.360 nan 0.000 0.556 388 K N -1.079 119.329 120.400 0.014 0.000 2.213 388 K HA 0.545 4.838 4.320 -0.044 0.000 0.254 388 K C -2.989 173.615 176.600 0.007 0.000 1.062 388 K CA -2.110 54.183 56.287 0.011 0.000 0.884 388 K CB 0.612 33.121 32.500 0.015 0.000 1.437 388 K HN -0.343 nan 8.250 nan 0.000 0.464 389 P HA 0.065 nan 4.420 nan 0.000 0.280 389 P C -0.776 176.528 177.300 0.007 0.000 1.278 389 P CA -0.363 62.738 63.100 0.001 0.000 0.787 389 P CB 0.363 32.063 31.700 -0.000 0.000 1.163 390 M N 0.485 120.088 119.600 0.005 0.000 2.365 390 M HA 0.394 4.847 4.480 -0.044 0.000 0.287 390 M C -1.465 174.839 176.300 0.007 0.000 1.154 390 M CA -0.399 54.908 55.300 0.011 0.000 0.941 390 M CB 1.810 34.418 32.600 0.014 0.000 1.704 390 M HN 0.086 nan 8.290 nan 0.000 0.479 391 N N 2.077 120.783 118.700 0.011 0.000 2.387 391 N HA 0.275 4.988 4.740 -0.044 0.000 0.259 391 N C -0.736 174.784 175.510 0.015 0.000 1.369 391 N CA -0.336 52.719 53.050 0.008 0.000 0.867 391 N CB 0.852 39.345 38.487 0.011 0.000 1.341 391 N HN 0.518 nan 8.380 nan 0.000 0.495 392 R N 0.319 120.830 120.500 0.019 0.000 2.919 392 R HA 0.047 4.360 4.340 -0.044 0.000 0.271 392 R C -0.398 175.918 176.300 0.027 0.000 0.995 392 R CA 0.257 56.372 56.100 0.026 0.000 1.158 392 R CB 0.392 30.709 30.300 0.029 0.000 1.071 392 R HN 0.104 nan 8.270 nan 0.000 0.476 393 L N 2.414 123.660 121.223 0.038 0.000 2.349 393 L HA 0.303 4.616 4.340 -0.044 0.000 0.278 393 L C -1.355 175.550 176.870 0.057 0.000 0.996 393 L CA -0.553 54.314 54.840 0.044 0.000 0.825 393 L CB 1.516 43.611 42.059 0.059 0.000 1.243 393 L HN 0.400 nan 8.230 nan 0.000 0.412 394 L N 4.803 126.058 121.223 0.054 0.000 2.259 394 L HA 0.502 4.815 4.340 -0.044 0.000 0.288 394 L C -0.515 176.403 176.870 0.079 0.000 1.051 394 L CA 0.509 55.385 54.840 0.060 0.000 0.824 394 L CB 0.737 42.823 42.059 0.046 0.000 1.206 394 L HN 0.770 nan 8.230 nan 0.000 0.429 395 Q N 3.296 123.160 119.800 0.107 0.000 2.306 395 Q HA 0.799 5.113 4.340 -0.044 0.000 0.265 395 Q C -0.572 175.534 176.000 0.177 0.000 1.022 395 Q CA -0.344 55.549 55.803 0.151 0.000 0.853 395 Q CB 2.062 30.931 28.738 0.219 0.000 1.327 395 Q HN 0.918 nan 8.270 nan 0.000 0.449 396 G N 1.447 110.334 108.800 0.145 0.000 2.427 396 G HA2 0.208 4.141 3.960 -0.044 0.000 0.306 396 G HA3 0.208 4.141 3.960 -0.044 0.000 0.306 396 G C -2.085 172.820 174.900 0.008 0.000 1.280 396 G CA -0.473 44.705 45.100 0.130 0.000 0.837 396 G HN 0.545 nan 8.290 nan 0.000 0.482 397 D N 0.216 120.609 120.400 -0.012 0.000 2.757 397 D HA 0.413 5.026 4.640 -0.044 0.000 0.249 397 D C 0.772 177.028 176.300 -0.072 0.000 1.168 397 D CA -0.227 53.714 54.000 -0.099 0.000 0.870 397 D CB 1.596 42.343 40.800 -0.087 0.000 1.411 397 D HN 1.090 nan 8.370 nan 0.000 0.525 398 V N 2.067 121.920 119.914 -0.101 0.000 2.798 398 V HA 0.318 4.411 4.120 -0.044 0.000 0.295 398 V C 0.963 177.033 176.094 -0.040 0.000 1.066 398 V CA 0.636 62.899 62.300 -0.061 0.000 1.244 398 V CB -0.740 31.039 31.823 -0.074 0.000 0.829 398 V HN 1.077 nan 8.190 nan 0.000 0.464 399 G N 3.172 111.958 108.800 -0.023 0.000 2.638 399 G HA2 -0.007 3.926 3.960 -0.044 0.000 0.269 399 G HA3 -0.007 3.926 3.960 -0.044 0.000 0.269 399 G C 0.196 175.076 174.900 -0.033 0.000 1.141 399 G CA 0.270 45.355 45.100 -0.026 0.000 1.081 399 G HN 2.181 nan 8.290 nan 0.000 0.527 400 S N -1.383 114.298 115.700 -0.032 0.000 2.651 400 S HA 0.533 4.977 4.470 -0.044 0.000 0.259 400 S C 1.668 176.233 174.600 -0.059 0.000 1.073 400 S CA 0.988 59.170 58.200 -0.029 0.000 1.090 400 S CB 1.235 64.441 63.200 0.010 0.000 1.042 400 S HN 2.347 nan 8.310 nan 0.000 0.581 401 G N 1.870 110.632 108.800 -0.062 0.000 2.145 401 G HA2 -0.183 3.750 3.960 -0.044 0.000 0.145 401 G HA3 -0.183 3.750 3.960 -0.044 0.000 0.145 401 G C 0.507 175.386 174.900 -0.036 0.000 1.017 401 G CA 0.186 45.235 45.100 -0.085 0.000 0.682 401 G HN 0.330 nan 8.290 nan 0.000 0.504 402 K N -0.087 120.312 120.400 -0.002 0.000 2.001 402 K HA -0.108 4.186 4.320 -0.044 0.000 0.214 402 K C 2.730 179.341 176.600 0.019 0.000 1.050 402 K CA 2.273 58.572 56.287 0.021 0.000 0.934 402 K CB -0.376 32.152 32.500 0.046 0.000 0.718 402 K HN 0.365 nan 8.250 nan 0.000 0.443 403 T N 1.285 115.863 114.554 0.040 0.000 2.544 403 T HA -0.223 4.100 4.350 -0.044 0.000 0.264 403 T C 1.923 176.639 174.700 0.025 0.000 1.096 403 T CA 2.075 64.210 62.100 0.058 0.000 1.181 403 T CB -0.690 68.233 68.868 0.092 0.000 0.864 403 T HN -0.019 nan 8.240 nan 0.000 0.415 404 V N 1.799 121.720 119.914 0.012 0.000 2.258 404 V HA -0.329 3.764 4.120 -0.044 0.000 0.252 404 V C 2.592 178.641 176.094 -0.075 0.000 1.039 404 V CA 2.564 64.845 62.300 -0.032 0.000 1.060 404 V CB -1.691 30.107 31.823 -0.041 0.000 0.690 404 V HN 0.443 nan 8.190 nan 0.000 0.482 405 V N 0.915 120.768 119.914 -0.101 0.000 2.258 405 V HA -0.449 3.645 4.120 -0.044 0.000 0.259 405 V C 2.690 178.751 176.094 -0.055 0.000 1.076 405 V CA 3.318 65.551 62.300 -0.113 0.000 1.084 405 V CB -2.026 29.758 31.823 -0.066 0.000 0.706 405 V HN 0.782 nan 8.190 nan 0.000 0.461 406 A N -0.028 122.774 122.820 -0.030 0.000 1.954 406 A HA -0.391 3.902 4.320 -0.044 0.000 0.222 406 A C 2.183 179.759 177.584 -0.014 0.000 1.199 406 A CA 2.821 54.828 52.037 -0.050 0.000 0.657 406 A CB -0.680 18.273 19.000 -0.079 0.000 0.823 406 A HN 0.806 nan 8.150 nan 0.000 0.463 407 Q N -0.809 119.020 119.800 0.048 0.000 2.119 407 Q HA -0.112 4.201 4.340 -0.044 0.000 0.201 407 Q C 2.058 178.272 176.000 0.357 0.000 0.972 407 Q CA 1.398 57.340 55.803 0.233 0.000 0.847 407 Q CB -0.439 28.515 28.738 0.360 0.000 0.903 407 Q HN 0.626 nan 8.270 nan 0.000 0.433 408 L N 1.308 122.632 121.223 0.168 0.000 1.989 408 L HA -0.185 4.128 4.340 -0.044 0.000 0.211 408 L C 2.636 179.619 176.870 0.188 0.000 1.071 408 L CA 1.743 56.682 54.840 0.165 0.000 0.749 408 L CB -1.115 40.863 42.059 -0.135 0.000 0.890 408 L HN 0.167 nan 8.230 nan 0.000 0.431 409 A N -0.291 122.601 122.820 0.121 0.000 1.971 409 A HA -0.276 4.017 4.320 -0.044 0.000 0.222 409 A C 2.385 180.037 177.584 0.113 0.000 1.182 409 A CA 2.398 54.496 52.037 0.102 0.000 0.649 409 A CB -0.950 18.071 19.000 0.035 0.000 0.818 409 A HN 0.443 nan 8.150 nan 0.000 0.458 410 I N -0.877 119.787 120.570 0.156 0.000 2.333 410 I HA -0.163 3.980 4.170 -0.044 0.000 0.246 410 I C 2.338 178.566 176.117 0.186 0.000 1.106 410 I CA 0.646 62.062 61.300 0.194 0.000 1.411 410 I CB -0.138 38.053 38.000 0.318 0.000 1.082 410 I HN 0.328 nan 8.210 nan 0.000 0.420 411 L N 0.067 121.393 121.223 0.171 0.000 1.976 411 L HA -0.253 4.060 4.340 -0.044 0.000 0.209 411 L C 2.214 179.128 176.870 0.073 0.000 1.071 411 L CA 1.524 56.377 54.840 0.022 0.000 0.746 411 L CB -0.964 41.118 42.059 0.038 0.000 0.890 411 L HN 0.283 nan 8.230 nan 0.000 0.432 412 D N 0.116 120.576 120.400 0.101 0.000 2.133 412 D HA -0.274 4.339 4.640 -0.044 0.000 0.192 412 D C 1.803 178.130 176.300 0.045 0.000 1.001 412 D CA 2.228 56.270 54.000 0.070 0.000 0.844 412 D CB -0.314 40.546 40.800 0.101 0.000 0.944 412 D HN 0.455 nan 8.370 nan 0.000 0.447 413 N N -0.465 118.281 118.700 0.077 0.000 2.058 413 N HA -0.234 4.480 4.740 -0.044 0.000 0.191 413 N C 2.088 177.613 175.510 0.025 0.000 1.037 413 N CA 0.856 53.946 53.050 0.067 0.000 0.848 413 N CB -0.287 38.259 38.487 0.098 0.000 1.021 413 N HN 0.140 nan 8.380 nan 0.000 0.422 414 Y N 1.623 121.883 120.300 -0.067 0.000 2.030 414 Y HA -0.293 4.231 4.550 -0.043 0.000 0.274 414 Y C 2.423 178.224 175.900 -0.165 0.000 1.153 414 Y CA 2.426 60.460 58.100 -0.110 0.000 1.115 414 Y CB -0.881 37.496 38.460 -0.138 0.000 0.969 414 Y HN 0.277 nan 8.280 nan 0.000 0.488 415 E N 0.369 120.628 120.200 0.098 0.000 2.208 415 E HA -0.325 3.998 4.350 -0.044 0.000 0.202 415 E C 1.974 178.462 176.600 -0.187 0.000 1.014 415 E CA 1.316 57.687 56.400 -0.048 0.000 0.819 415 E CB -0.400 29.283 29.700 -0.029 0.000 0.735 415 E HN 0.617 nan 8.360 nan 0.000 0.469 416 A N -0.263 122.424 122.820 -0.221 0.000 1.833 416 A HA 0.164 4.457 4.320 -0.044 0.000 0.215 416 A C 2.186 179.464 177.584 -0.509 0.000 1.275 416 A CA 1.791 53.627 52.037 -0.335 0.000 0.602 416 A CB -0.660 18.126 19.000 -0.357 0.000 0.929 416 A HN 0.479 nan 8.150 nan 0.000 0.462 417 G N -3.207 105.139 108.800 -0.757 0.000 3.732 417 G HA2 0.344 4.277 3.960 -0.044 0.000 0.165 417 G HA3 0.344 4.277 3.960 -0.044 0.000 0.165 417 G C 0.112 174.720 174.900 -0.487 0.000 1.337 417 G CA -0.033 44.658 45.100 -0.683 0.000 0.830 417 G HN 0.260 nan 8.290 nan 0.000 0.771 418 F N 1.579 121.459 119.950 -0.116 0.000 2.403 418 F HA 0.729 5.229 4.527 -0.045 0.000 0.326 418 F C 0.445 176.147 175.800 -0.163 0.000 1.099 418 F CA -1.424 56.485 58.000 -0.151 0.000 1.036 418 F CB 0.579 39.484 39.000 -0.157 0.000 1.336 418 F HN 0.131 nan 8.300 nan 0.000 0.497 419 Q N -0.849 118.899 119.800 -0.087 0.000 2.342 419 Q HA 0.569 4.882 4.340 -0.044 0.000 0.267 419 Q C -0.528 175.428 176.000 -0.073 0.000 1.038 419 Q CA -0.907 54.851 55.803 -0.076 0.000 0.832 419 Q CB 1.777 30.465 28.738 -0.082 0.000 1.323 419 Q HN 0.698 nan 8.270 nan 0.000 0.448 420 T N -0.146 114.430 114.554 0.036 0.000 2.912 420 T HA 0.793 5.116 4.350 -0.044 0.000 0.280 420 T C -0.840 173.890 174.700 0.049 0.000 0.989 420 T CA -0.299 61.816 62.100 0.026 0.000 0.995 420 T CB 1.126 70.014 68.868 0.034 0.000 1.077 420 T HN 0.965 nan 8.240 nan 0.000 0.531 421 A N 2.815 125.661 122.820 0.044 0.000 2.599 421 A HA 0.567 4.860 4.320 -0.044 0.000 0.281 421 A C -0.919 176.761 177.584 0.159 0.000 1.137 421 A CA -0.651 51.448 52.037 0.102 0.000 0.767 421 A CB 0.239 19.290 19.000 0.084 0.000 1.266 421 A HN 0.711 nan 8.150 nan 0.000 0.420 422 F N 3.318 123.293 119.950 0.042 0.000 2.495 422 F HA 0.482 4.982 4.527 -0.044 0.000 0.365 422 F C 0.367 176.208 175.800 0.070 0.000 1.090 422 F CA -0.411 57.608 58.000 0.032 0.000 1.235 422 F CB 0.648 39.643 39.000 -0.009 0.000 1.119 422 F HN 0.453 nan 8.300 nan 0.000 0.562 423 M N 5.402 125.324 119.600 0.536 0.000 2.456 423 M HA 0.580 5.033 4.480 -0.044 0.000 0.324 423 M C -1.319 175.150 176.300 0.282 0.000 1.124 423 M CA -0.875 54.622 55.300 0.328 0.000 0.959 423 M CB 2.144 34.939 32.600 0.324 0.000 1.692 423 M HN 0.243 nan 8.290 nan 0.000 0.444 424 V N 3.675 123.692 119.914 0.173 0.000 3.000 424 V HA 0.271 4.365 4.120 -0.044 0.000 0.300 424 V C -1.877 174.064 176.094 -0.254 0.000 1.251 424 V CA -0.840 61.475 62.300 0.025 0.000 0.972 424 V CB 2.796 34.589 31.823 -0.049 0.000 1.065 424 V HN 0.657 nan 8.190 nan 0.000 0.431 425 P HA -0.079 nan 4.420 nan 0.000 0.219 425 P C 0.497 177.634 177.300 -0.271 0.000 1.146 425 P CA 1.362 64.114 63.100 -0.580 0.000 0.808 425 P CB 0.378 31.857 31.700 -0.370 0.000 0.779 426 T N -2.308 112.145 114.554 -0.168 0.000 2.912 426 T HA 0.368 4.691 4.350 -0.044 0.000 0.299 426 T C 1.127 175.783 174.700 -0.073 0.000 1.052 426 T CA -0.389 61.647 62.100 -0.107 0.000 0.996 426 T CB 1.309 70.125 68.868 -0.085 0.000 1.070 426 T HN -0.287 nan 8.240 nan 0.000 0.465 427 S N 3.347 119.016 115.700 -0.052 0.000 2.365 427 S HA -0.094 4.349 4.470 -0.044 0.000 0.225 427 S C 2.008 176.588 174.600 -0.034 0.000 1.039 427 S CA 1.297 59.477 58.200 -0.033 0.000 1.033 427 S CB -0.344 62.841 63.200 -0.025 0.000 0.887 427 S HN 0.741 nan 8.310 nan 0.000 0.447 428 I N 0.718 121.264 120.570 -0.039 0.000 2.567 428 I HA -0.110 4.033 4.170 -0.044 0.000 0.257 428 I C 1.975 178.058 176.117 -0.057 0.000 1.184 428 I CA 1.149 62.425 61.300 -0.039 0.000 1.451 428 I CB -0.718 37.264 38.000 -0.030 0.000 1.089 428 I HN 0.313 nan 8.210 nan 0.000 0.441 429 L N 0.047 121.226 121.223 -0.074 0.000 2.298 429 L HA 0.039 4.352 4.340 -0.044 0.000 0.209 429 L C 2.717 179.524 176.870 -0.105 0.000 1.084 429 L CA 0.621 55.386 54.840 -0.125 0.000 0.816 429 L CB -0.134 41.846 42.059 -0.132 0.000 0.967 429 L HN 0.129 nan 8.230 nan 0.000 0.460 430 A N 1.096 123.889 122.820 -0.044 0.000 1.834 430 A HA -0.247 4.046 4.320 -0.044 0.000 0.216 430 A C 2.047 179.671 177.584 0.066 0.000 1.203 430 A CA 1.786 53.830 52.037 0.011 0.000 0.621 430 A CB -0.860 18.147 19.000 0.012 0.000 0.841 430 A HN 0.293 nan 8.150 nan 0.000 0.446 431 I N -0.684 119.902 120.570 0.026 0.000 2.093 431 I HA -0.437 3.706 4.170 -0.044 0.000 0.239 431 I C 2.882 179.003 176.117 0.007 0.000 1.026 431 I CA 2.353 63.645 61.300 -0.014 0.000 1.295 431 I CB -0.802 37.165 38.000 -0.055 0.000 1.007 431 I HN 0.513 nan 8.210 nan 0.000 0.401 432 Q N -0.532 119.259 119.800 -0.015 0.000 2.170 432 Q HA -0.236 4.077 4.340 -0.044 0.000 0.203 432 Q C 2.167 178.197 176.000 0.051 0.000 0.976 432 Q CA 1.689 57.481 55.803 -0.019 0.000 0.858 432 Q CB -0.102 28.589 28.738 -0.078 0.000 0.907 432 Q HN 0.652 nan 8.270 nan 0.000 0.433 433 H N -1.344 117.722 119.070 -0.007 0.000 2.307 433 H HA -0.163 4.367 4.556 -0.044 0.000 0.303 433 H C 1.848 177.219 175.328 0.072 0.000 1.073 433 H CA 1.112 57.144 56.048 -0.028 0.000 1.338 433 H CB 0.040 29.683 29.762 -0.198 0.000 1.389 433 H HN 0.224 nan 8.280 nan 0.000 0.503 434 Y N 2.145 122.492 120.300 0.078 0.000 1.888 434 Y HA -0.455 4.069 4.550 -0.044 0.000 0.236 434 Y C 2.625 178.544 175.900 0.033 0.000 1.145 434 Y CA 2.317 60.444 58.100 0.045 0.000 1.055 434 Y CB -1.132 37.351 38.460 0.038 0.000 0.893 434 Y HN 0.111 nan 8.280 nan 0.000 0.506 435 R N 0.041 120.855 120.500 0.523 0.000 2.259 435 R HA -0.360 3.953 4.340 -0.044 0.000 0.247 435 R C 2.482 178.900 176.300 0.196 0.000 1.114 435 R CA 2.982 59.240 56.100 0.265 0.000 0.926 435 R CB -0.561 29.785 30.300 0.077 0.000 0.937 435 R HN 0.525 nan 8.270 nan 0.000 0.434 436 R N -0.870 119.720 120.500 0.150 0.000 2.073 436 R HA -0.096 4.218 4.340 -0.044 0.000 0.234 436 R C 2.436 178.732 176.300 -0.007 0.000 1.134 436 R CA 2.085 58.239 56.100 0.089 0.000 0.952 436 R CB -0.413 29.960 30.300 0.121 0.000 0.850 436 R HN 0.607 nan 8.270 nan 0.000 0.433 437 T N -1.628 112.882 114.554 -0.073 0.000 2.897 437 T HA -0.068 4.255 4.350 -0.044 0.000 0.271 437 T C 1.837 176.256 174.700 -0.470 0.000 1.084 437 T CA 1.227 63.083 62.100 -0.407 0.000 1.123 437 T CB -0.240 68.392 68.868 -0.393 0.000 0.865 437 T HN -0.032 nan 8.240 nan 0.000 0.496 438 V N 1.632 121.482 119.914 -0.107 0.000 2.398 438 V HA 0.044 4.137 4.120 -0.044 0.000 0.236 438 V C 2.668 178.793 176.094 0.052 0.000 1.054 438 V CA 1.286 63.610 62.300 0.041 0.000 1.060 438 V CB -0.780 31.125 31.823 0.137 0.000 0.707 438 V HN 0.531 nan 8.190 nan 0.000 0.480 439 E N 0.568 120.808 120.200 0.065 0.000 2.130 439 E HA -0.257 4.066 4.350 -0.044 0.000 0.196 439 E C 2.189 178.800 176.600 0.018 0.000 0.998 439 E CA 1.974 58.399 56.400 0.041 0.000 0.806 439 E CB -0.264 29.466 29.700 0.050 0.000 0.738 439 E HN 0.451 nan 8.360 nan 0.000 0.459 440 S N -0.427 115.282 115.700 0.015 0.000 2.380 440 S HA -0.132 4.311 4.470 -0.044 0.000 0.217 440 S C 1.333 175.939 174.600 0.010 0.000 1.036 440 S CA 1.221 59.441 58.200 0.034 0.000 1.050 440 S CB -0.500 62.703 63.200 0.006 0.000 1.016 440 S HN 0.409 nan 8.310 nan 0.000 0.419 441 F N 2.939 122.790 119.950 -0.165 0.000 2.406 441 F HA -0.145 4.356 4.527 -0.044 0.000 0.297 441 F C 2.249 177.744 175.800 -0.507 0.000 1.059 441 F CA 0.840 58.583 58.000 -0.428 0.000 1.458 441 F CB -1.791 37.061 39.000 -0.247 0.000 1.107 441 F HN 0.439 nan 8.300 nan 0.000 0.582 442 S N -0.573 115.063 115.700 -0.106 0.000 2.711 442 S HA -0.403 4.041 4.470 -0.044 0.000 0.344 442 S C 0.527 175.027 174.600 -0.167 0.000 1.280 442 S CA 1.729 59.853 58.200 -0.127 0.000 1.057 442 S CB -0.844 62.259 63.200 -0.161 0.000 1.096 442 S HN 0.632 nan 8.310 nan 0.000 0.739 443 K N -3.587 116.676 120.400 -0.228 0.000 10.435 443 K HA -0.045 4.248 4.320 -0.044 0.000 1.169 443 K C -0.378 175.927 176.600 -0.491 0.000 2.278 443 K CA 0.584 56.741 56.287 -0.217 0.000 0.775 443 K CB -1.272 31.171 32.500 -0.095 0.000 1.438 443 K HN 0.416 nan 8.250 nan 0.000 0.430 444 F N -0.599 119.256 119.950 -0.159 0.000 1.693 444 F HA 0.013 4.514 4.527 -0.043 0.000 0.278 444 F C 0.059 175.779 175.800 -0.132 0.000 1.207 444 F CA 0.815 58.700 58.000 -0.191 0.000 1.296 444 F CB -0.136 38.661 39.000 -0.338 0.000 1.903 444 F HN 0.646 nan 8.300 nan 0.000 0.221 445 N N 0.107 118.865 118.700 0.098 0.000 3.795 445 N HA 0.044 4.757 4.740 -0.044 0.000 0.113 445 N C -1.021 174.422 175.510 -0.112 0.000 0.864 445 N CA 0.149 53.223 53.050 0.040 0.000 3.295 445 N CB -1.270 37.246 38.487 0.048 0.000 1.181 445 N HN 0.208 nan 8.380 nan 0.000 0.819 446 I N 1.578 122.029 120.570 -0.198 0.000 2.465 446 I HA 0.308 4.451 4.170 -0.044 0.000 0.291 446 I C -0.467 175.571 176.117 -0.132 0.000 1.014 446 I CA -0.722 60.334 61.300 -0.406 0.000 1.093 446 I CB 1.271 38.886 38.000 -0.642 0.000 1.267 446 I HN 0.064 nan 8.210 nan 0.000 0.431 447 H N 4.628 123.739 119.070 0.068 0.000 2.640 447 H HA 0.543 5.072 4.556 -0.045 0.000 0.297 447 H C -0.589 174.791 175.328 0.087 0.000 1.073 447 H CA -0.785 55.312 56.048 0.081 0.000 1.305 447 H CB 1.314 31.132 29.762 0.093 0.000 1.404 447 H HN 0.219 nan 8.280 nan 0.000 0.459 448 V N 2.245 122.230 119.914 0.119 0.000 2.628 448 V HA 0.711 4.804 4.120 -0.044 0.000 0.306 448 V C 0.184 176.231 176.094 -0.078 0.000 1.045 448 V CA -0.539 61.772 62.300 0.018 0.000 0.905 448 V CB 1.619 33.402 31.823 -0.067 0.000 0.997 448 V HN 1.025 nan 8.190 nan 0.000 0.436 449 A N 4.723 127.525 122.820 -0.030 0.000 2.468 449 A HA 1.046 5.339 4.320 -0.044 0.000 0.277 449 A C -1.527 176.134 177.584 0.129 0.000 1.203 449 A CA -0.524 51.557 52.037 0.074 0.000 0.932 449 A CB 1.150 20.224 19.000 0.124 0.000 1.438 449 A HN 0.661 nan 8.150 nan 0.000 0.468 450 L N -1.820 119.560 121.223 0.262 0.000 2.469 450 L HA 0.700 5.014 4.340 -0.044 0.000 0.256 450 L C -0.777 176.184 176.870 0.152 0.000 1.006 450 L CA -0.309 54.668 54.840 0.228 0.000 0.832 450 L CB 1.323 43.563 42.059 0.303 0.000 1.421 450 L HN 0.658 nan 8.230 nan 0.000 0.410 451 L N 2.560 123.847 121.223 0.107 0.000 2.529 451 L HA 0.524 4.837 4.340 -0.044 0.000 0.258 451 L C -0.590 176.309 176.870 0.049 0.000 1.032 451 L CA -0.075 54.809 54.840 0.073 0.000 0.899 451 L CB 0.625 42.724 42.059 0.068 0.000 1.174 451 L HN 0.793 nan 8.230 nan 0.000 0.458 452 I N 0.099 120.692 120.570 0.039 0.000 4.240 452 I HA 0.563 4.706 4.170 -0.044 0.000 0.331 452 I C 1.305 177.426 176.117 0.008 0.000 1.381 452 I CA 0.289 61.602 61.300 0.021 0.000 1.136 452 I CB 0.914 38.926 38.000 0.020 0.000 1.137 452 I HN 0.592 nan 8.210 nan 0.000 0.411 453 G N 1.730 110.535 108.800 0.010 0.000 2.320 453 G HA2 -0.384 3.549 3.960 -0.044 0.000 0.242 453 G HA3 -0.384 3.549 3.960 -0.044 0.000 0.242 453 G C 1.253 176.155 174.900 0.003 0.000 1.033 453 G CA 0.537 45.639 45.100 0.003 0.000 0.620 453 G HN 0.608 nan 8.290 nan 0.000 0.517 454 A N 0.568 123.389 122.820 0.002 0.000 1.873 454 A HA 0.322 4.616 4.320 -0.044 0.000 0.215 454 A C 1.803 179.389 177.584 0.003 0.000 1.186 454 A CA 2.341 54.378 52.037 -0.001 0.000 0.616 454 A CB -1.270 17.727 19.000 -0.005 0.000 0.823 454 A HN 1.622 nan 8.150 nan 0.000 0.442 455 T N 1.490 116.050 114.554 0.010 0.000 2.923 455 T HA 0.315 4.638 4.350 -0.044 0.000 0.304 455 T C 0.528 175.236 174.700 0.014 0.000 1.044 455 T CA 0.290 62.400 62.100 0.016 0.000 1.141 455 T CB -0.160 68.726 68.868 0.031 0.000 1.023 455 T HN 0.678 nan 8.240 nan 0.000 0.533 456 T N 0.944 115.505 114.554 0.013 0.000 2.916 456 T HA 0.197 4.520 4.350 -0.044 0.000 0.303 456 T C -1.691 173.017 174.700 0.014 0.000 1.025 456 T CA -1.668 60.439 62.100 0.011 0.000 1.142 456 T CB 0.602 69.476 68.868 0.009 0.000 0.947 456 T HN 0.237 nan 8.240 nan 0.000 0.544 457 P HA -0.265 nan 4.420 nan 0.000 0.217 457 P C 2.017 179.327 177.300 0.016 0.000 1.158 457 P CA 2.053 65.161 63.100 0.013 0.000 0.887 457 P CB -0.171 31.535 31.700 0.010 0.000 0.792 458 S N 0.081 115.790 115.700 0.014 0.000 2.398 458 S HA -0.304 4.140 4.470 -0.044 0.000 0.220 458 S C 2.044 176.656 174.600 0.020 0.000 1.038 458 S CA 1.795 60.004 58.200 0.015 0.000 1.080 458 S CB -1.665 61.542 63.200 0.013 0.000 1.039 458 S HN 0.128 nan 8.310 nan 0.000 0.419 459 E N 2.055 122.268 120.200 0.021 0.000 2.197 459 E HA -0.261 4.063 4.350 -0.044 0.000 0.205 459 E C 1.917 178.537 176.600 0.034 0.000 1.029 459 E CA 1.900 58.317 56.400 0.028 0.000 0.828 459 E CB -0.317 29.401 29.700 0.029 0.000 0.737 459 E HN 0.602 nan 8.360 nan 0.000 0.464 460 K N 0.333 120.751 120.400 0.031 0.000 1.991 460 K HA -0.193 4.100 4.320 -0.044 0.000 0.212 460 K C 2.215 178.836 176.600 0.034 0.000 1.049 460 K CA 1.841 58.148 56.287 0.033 0.000 0.932 460 K CB -0.473 32.042 32.500 0.025 0.000 0.717 460 K HN 0.375 nan 8.250 nan 0.000 0.441 461 E N 1.103 121.320 120.200 0.029 0.000 2.070 461 E HA -0.259 4.065 4.350 -0.044 0.000 0.197 461 E C 2.097 178.714 176.600 0.028 0.000 1.004 461 E CA 1.796 58.214 56.400 0.028 0.000 0.805 461 E CB -0.224 29.490 29.700 0.023 0.000 0.744 461 E HN 0.352 nan 8.360 nan 0.000 0.451 462 K N 1.011 121.426 120.400 0.026 0.000 2.211 462 K HA -0.151 4.142 4.320 -0.044 0.000 0.204 462 K C 1.895 178.513 176.600 0.029 0.000 1.047 462 K CA 1.286 57.586 56.287 0.022 0.000 0.935 462 K CB -0.041 32.472 32.500 0.021 0.000 0.728 462 K HN 0.086 nan 8.250 nan 0.000 0.452 463 I N 0.734 121.329 120.570 0.041 0.000 2.272 463 I HA -0.126 4.017 4.170 -0.044 0.000 0.235 463 I C 2.187 178.338 176.117 0.056 0.000 1.071 463 I CA 0.765 62.099 61.300 0.056 0.000 1.374 463 I CB -0.889 37.151 38.000 0.067 0.000 1.121 463 I HN 0.183 nan 8.210 nan 0.000 0.420 464 K N 1.553 121.986 120.400 0.054 0.000 2.007 464 K HA -0.326 3.968 4.320 -0.044 0.000 0.231 464 K C 2.210 178.847 176.600 0.063 0.000 1.044 464 K CA 3.384 59.706 56.287 0.059 0.000 0.996 464 K CB -0.556 31.975 32.500 0.053 0.000 0.738 464 K HN 0.462 nan 8.250 nan 0.000 0.447 465 S N 0.043 115.772 115.700 0.049 0.000 2.393 465 S HA -0.252 4.191 4.470 -0.044 0.000 0.234 465 S C 2.203 176.800 174.600 -0.006 0.000 1.064 465 S CA 1.757 59.972 58.200 0.026 0.000 1.088 465 S CB -1.595 61.615 63.200 0.016 0.000 0.939 465 S HN 0.542 nan 8.310 nan 0.000 0.448 466 G N 1.272 110.074 108.800 0.004 0.000 2.517 466 G HA2 -0.120 3.814 3.960 -0.044 0.000 0.222 466 G HA3 -0.120 3.814 3.960 -0.044 0.000 0.222 466 G C 1.303 176.176 174.900 -0.046 0.000 1.109 466 G CA 1.233 46.328 45.100 -0.008 0.000 0.746 466 G HN 0.461 nan 8.290 nan 0.000 0.576 467 L N -0.563 120.652 121.223 -0.014 0.000 2.286 467 L HA 0.333 4.647 4.340 -0.044 0.000 0.203 467 L C 2.559 179.324 176.870 -0.175 0.000 1.068 467 L CA 0.402 55.232 54.840 -0.017 0.000 0.811 467 L CB -0.972 41.199 42.059 0.185 0.000 0.989 467 L HN 0.054 nan 8.230 nan 0.000 0.467 468 R N 1.082 121.569 120.500 -0.021 0.000 2.294 468 R HA -0.118 4.195 4.340 -0.044 0.000 0.250 468 R C -0.205 176.006 176.300 -0.149 0.000 1.181 468 R CA 0.707 56.811 56.100 0.006 0.000 1.016 468 R CB -0.426 29.901 30.300 0.046 0.000 0.869 468 R HN 0.478 nan 8.270 nan 0.000 0.476 469 N N -1.835 116.679 118.700 -0.311 0.000 3.343 469 N HA 0.184 4.897 4.740 -0.044 0.000 0.225 469 N C -0.638 174.667 175.510 -0.342 0.000 1.096 469 N CA 0.349 53.200 53.050 -0.331 0.000 1.040 469 N CB 1.557 39.955 38.487 -0.149 0.000 1.611 469 N HN 0.247 nan 8.380 nan 0.000 0.689 470 G N 1.691 110.229 108.800 -0.435 0.000 2.253 470 G HA2 -0.145 3.788 3.960 -0.044 0.000 0.190 470 G HA3 -0.145 3.788 3.960 -0.044 0.000 0.190 470 G C -1.043 173.789 174.900 -0.113 0.000 1.274 470 G CA -0.492 44.493 45.100 -0.191 0.000 1.275 470 G HN 0.473 nan 8.290 nan 0.000 0.518 471 Q N 0.318 120.154 119.800 0.059 0.000 2.470 471 Q HA 0.593 4.907 4.340 -0.044 0.000 0.389 471 Q C -0.487 175.830 176.000 0.528 0.000 0.888 471 Q CA -0.284 55.693 55.803 0.290 0.000 1.106 471 Q CB 0.028 29.043 28.738 0.462 0.000 1.368 471 Q HN 0.471 nan 8.270 nan 0.000 0.403 472 I N 1.680 122.434 120.570 0.307 0.000 2.301 472 I HA 0.081 4.224 4.170 -0.044 0.000 0.292 472 I C 0.128 176.467 176.117 0.370 0.000 1.046 472 I CA -0.277 61.226 61.300 0.338 0.000 1.282 472 I CB 1.101 39.228 38.000 0.212 0.000 1.409 472 I HN 0.385 nan 8.210 nan 0.000 0.484 473 D N 5.128 125.712 120.400 0.308 0.000 2.213 473 D HA 0.006 4.619 4.640 -0.044 0.000 0.205 473 D C 0.549 177.007 176.300 0.264 0.000 0.961 473 D CA 1.067 55.253 54.000 0.311 0.000 0.853 473 D CB 0.583 41.557 40.800 0.289 0.000 0.967 473 D HN 0.343 nan 8.370 nan 0.000 0.496 474 V N -0.797 119.245 119.914 0.213 0.000 2.932 474 V HA 0.518 4.611 4.120 -0.044 0.000 0.307 474 V C -1.307 174.882 176.094 0.157 0.000 1.147 474 V CA -0.916 61.491 62.300 0.178 0.000 0.951 474 V CB 2.555 34.485 31.823 0.177 0.000 1.031 474 V HN -0.168 nan 8.190 nan 0.000 0.426 475 V N 5.310 125.318 119.914 0.158 0.000 2.417 475 V HA 0.594 4.688 4.120 -0.044 0.000 0.291 475 V C 0.061 176.245 176.094 0.150 0.000 1.024 475 V CA -0.573 61.812 62.300 0.141 0.000 0.861 475 V CB 1.248 33.156 31.823 0.142 0.000 0.985 475 V HN 0.800 nan 8.190 nan 0.000 0.436 476 I N 4.379 125.020 120.570 0.118 0.000 2.304 476 I HA 0.785 4.929 4.170 -0.044 0.000 0.291 476 I C 0.793 176.973 176.117 0.105 0.000 1.018 476 I CA 0.213 61.586 61.300 0.122 0.000 1.260 476 I CB 1.264 39.312 38.000 0.080 0.000 1.390 476 I HN 0.886 nan 8.210 nan 0.000 0.475 477 G N 3.749 112.598 108.800 0.082 0.000 2.606 477 G HA2 0.553 4.487 3.960 -0.044 0.000 0.300 477 G HA3 0.553 4.487 3.960 -0.044 0.000 0.300 477 G C -0.649 174.278 174.900 0.046 0.000 1.360 477 G CA -0.402 44.736 45.100 0.063 0.000 0.783 477 G HN 0.492 nan 8.290 nan 0.000 0.484 478 T N -3.079 111.493 114.554 0.029 0.000 2.852 478 T HA 0.318 4.641 4.350 -0.044 0.000 0.281 478 T C 0.934 175.687 174.700 0.088 0.000 0.993 478 T CA 0.036 62.152 62.100 0.026 0.000 0.933 478 T CB 1.050 69.906 68.868 -0.019 0.000 1.187 478 T HN 0.753 nan 8.240 nan 0.000 0.559 479 H N -0.316 118.772 119.070 0.030 0.000 2.689 479 H HA 0.452 4.981 4.556 -0.045 0.000 0.290 479 H C 1.473 176.811 175.328 0.016 0.000 1.089 479 H CA 0.303 56.394 56.048 0.072 0.000 1.194 479 H CB -0.932 28.890 29.762 0.101 0.000 1.289 479 H HN 0.683 nan 8.280 nan 0.000 0.616 480 A N 0.359 123.139 122.820 -0.067 0.000 1.855 480 A HA -0.019 4.274 4.320 -0.044 0.000 0.213 480 A C 2.226 179.729 177.584 -0.136 0.000 1.195 480 A CA 0.878 52.855 52.037 -0.100 0.000 0.610 480 A CB -0.530 18.448 19.000 -0.037 0.000 0.837 480 A HN 0.496 nan 8.150 nan 0.000 0.444 481 L N -0.646 120.530 121.223 -0.079 0.000 1.981 481 L HA -0.291 4.023 4.340 -0.044 0.000 0.237 481 L C 2.262 179.051 176.870 -0.135 0.000 1.095 481 L CA 1.996 56.796 54.840 -0.066 0.000 0.820 481 L CB -1.133 40.920 42.059 -0.010 0.000 0.914 481 L HN 0.282 nan 8.230 nan 0.000 0.442 482 I N -0.666 119.798 120.570 -0.177 0.000 3.018 482 I HA -0.271 3.873 4.170 -0.044 0.000 0.277 482 I C 2.508 178.500 176.117 -0.209 0.000 1.293 482 I CA 1.216 62.410 61.300 -0.176 0.000 1.427 482 I CB -0.357 37.551 38.000 -0.154 0.000 1.091 482 I HN 0.393 nan 8.210 nan 0.000 0.500 483 Q N -0.584 119.067 119.800 -0.247 0.000 2.350 483 Q HA -0.003 4.311 4.340 -0.044 0.000 0.225 483 Q C 1.452 177.399 176.000 -0.089 0.000 0.878 483 Q CA 0.386 56.085 55.803 -0.174 0.000 0.935 483 Q CB 0.629 29.247 28.738 -0.200 0.000 1.099 483 Q HN 0.463 nan 8.270 nan 0.000 0.527 484 E N 0.314 120.460 120.200 -0.090 0.000 2.340 484 E HA 0.009 4.333 4.350 -0.044 0.000 0.198 484 E C -0.287 176.274 176.600 -0.066 0.000 0.961 484 E CA 0.363 56.727 56.400 -0.060 0.000 0.905 484 E CB 0.617 30.285 29.700 -0.054 0.000 0.884 484 E HN 0.140 nan 8.360 nan 0.000 0.491 485 D N 0.399 120.740 120.400 -0.099 0.000 3.579 485 D HA -0.111 4.502 4.640 -0.044 0.000 0.236 485 D C -0.749 175.345 176.300 -0.344 0.000 1.020 485 D CA 0.060 53.976 54.000 -0.141 0.000 1.030 485 D CB -0.980 39.782 40.800 -0.062 0.000 0.902 485 D HN -0.123 nan 8.370 nan 0.000 0.409 486 V N 2.454 122.176 119.914 -0.320 0.000 3.295 486 V HA 0.634 4.727 4.120 -0.044 0.000 0.308 486 V C 0.449 176.204 176.094 -0.564 0.000 1.068 486 V CA 0.100 62.163 62.300 -0.395 0.000 1.062 486 V CB 1.675 33.429 31.823 -0.114 0.000 1.162 486 V HN 0.516 nan 8.190 nan 0.000 0.456 487 H N 0.949 120.079 119.070 0.100 0.000 2.985 487 H HA 0.752 5.281 4.556 -0.044 0.000 0.360 487 H C -1.118 174.346 175.328 0.226 0.000 1.221 487 H CA -0.620 55.506 56.048 0.129 0.000 1.121 487 H CB 2.028 31.843 29.762 0.088 0.000 1.854 487 H HN 0.589 nan 8.280 nan 0.000 0.551 488 F N 0.307 120.359 119.950 0.169 0.000 2.689 488 F HA 0.182 4.682 4.527 -0.045 0.000 0.314 488 F C -1.135 174.719 175.800 0.090 0.000 1.061 488 F CA -0.938 57.129 58.000 0.112 0.000 1.013 488 F CB 1.002 40.058 39.000 0.093 0.000 1.256 488 F HN 0.346 nan 8.300 nan 0.000 0.480 489 K N 2.990 123.838 120.400 0.748 0.000 2.387 489 K HA 0.312 4.605 4.320 -0.044 0.000 0.198 489 K C -0.739 176.037 176.600 0.293 0.000 1.022 489 K CA 0.196 56.704 56.287 0.369 0.000 1.128 489 K CB -0.087 32.536 32.500 0.205 0.000 0.853 489 K HN 0.492 nan 8.250 nan 0.000 0.523 490 N N 0.115 119.006 118.700 0.317 0.000 2.410 490 N HA 0.372 5.086 4.740 -0.044 0.000 0.287 490 N C -1.756 173.296 175.510 -0.764 0.000 1.044 490 N CA -0.463 52.499 53.050 -0.148 0.000 0.881 490 N CB 1.515 40.113 38.487 0.184 0.000 1.405 490 N HN -0.112 nan 8.380 nan 0.000 0.490 491 L N 2.159 123.111 121.223 -0.451 0.000 2.555 491 L HA 0.432 4.746 4.340 -0.044 0.000 0.264 491 L C 0.545 177.263 176.870 -0.253 0.000 0.972 491 L CA -0.191 54.406 54.840 -0.404 0.000 0.876 491 L CB 1.393 43.285 42.059 -0.278 0.000 1.216 491 L HN 0.714 nan 8.230 nan 0.000 0.415 492 G N 5.229 113.960 108.800 -0.115 0.000 3.371 492 G HA2 0.407 4.341 3.960 -0.044 0.000 0.248 492 G HA3 0.407 4.341 3.960 -0.044 0.000 0.248 492 G C -0.180 174.718 174.900 -0.004 0.000 1.161 492 G CA 0.196 45.274 45.100 -0.038 0.000 0.796 492 G HN 0.488 nan 8.290 nan 0.000 0.539 493 L N -1.771 119.431 121.223 -0.035 0.000 3.089 493 L HA 0.369 4.682 4.340 -0.044 0.000 0.235 493 L C -2.254 174.604 176.870 -0.021 0.000 0.991 493 L CA -0.758 54.072 54.840 -0.017 0.000 1.052 493 L CB 1.013 43.077 42.059 0.007 0.000 1.489 493 L HN -0.162 nan 8.230 nan 0.000 0.414 494 V N 3.767 123.670 119.914 -0.019 0.000 2.577 494 V HA 0.458 4.552 4.120 -0.044 0.000 0.294 494 V C -0.036 176.049 176.094 -0.016 0.000 1.052 494 V CA -0.327 61.972 62.300 -0.001 0.000 0.891 494 V CB 1.621 33.454 31.823 0.016 0.000 1.017 494 V HN 0.526 nan 8.190 nan 0.000 0.436 495 I N 5.227 125.765 120.570 -0.054 0.000 2.499 495 I HA 0.495 4.639 4.170 -0.044 0.000 0.296 495 I C -0.481 175.714 176.117 0.130 0.000 0.992 495 I CA -0.399 60.845 61.300 -0.093 0.000 1.297 495 I CB 1.542 39.227 38.000 -0.524 0.000 1.410 495 I HN 0.414 nan 8.210 nan 0.000 0.507 496 I N 4.338 124.993 120.570 0.142 0.000 2.730 496 I HA 0.274 4.418 4.170 -0.044 0.000 0.298 496 I C -0.950 175.311 176.117 0.239 0.000 1.089 496 I CA -0.589 60.829 61.300 0.196 0.000 1.041 496 I CB 2.530 40.549 38.000 0.031 0.000 1.235 496 I HN 0.460 nan 8.210 nan 0.000 0.423 497 D N 6.944 127.528 120.400 0.305 0.000 2.461 497 D HA 0.292 4.905 4.640 -0.044 0.000 0.240 497 D C -0.100 176.364 176.300 0.274 0.000 1.094 497 D CA 0.219 54.380 54.000 0.268 0.000 0.868 497 D CB 1.153 42.119 40.800 0.276 0.000 1.062 497 D HN 0.529 nan 8.370 nan 0.000 0.530 498 E N 1.413 121.704 120.200 0.152 0.000 3.217 498 E HA -0.248 4.075 4.350 -0.044 0.000 0.228 498 E C -0.530 176.164 176.600 0.157 0.000 1.379 498 E CA 0.180 56.658 56.400 0.130 0.000 1.960 498 E CB -0.772 29.004 29.700 0.126 0.000 2.076 498 E HN 0.347 nan 8.360 nan 0.000 0.539 499 Q N 1.463 121.366 119.800 0.170 0.000 2.377 499 Q HA 0.340 4.653 4.340 -0.044 0.000 0.249 499 Q C -0.457 175.694 176.000 0.252 0.000 1.005 499 Q CA 0.417 56.320 55.803 0.166 0.000 0.912 499 Q CB 0.257 29.051 28.738 0.094 0.000 1.223 499 Q HN 0.306 nan 8.270 nan 0.000 0.459 500 H N 4.732 123.804 119.070 0.005 0.000 2.588 500 H HA 0.283 4.812 4.556 -0.044 0.000 0.223 500 H C 0.072 175.219 175.328 -0.301 0.000 1.804 500 H CA -0.574 55.398 56.048 -0.128 0.000 1.269 500 H CB -0.046 29.606 29.762 -0.183 0.000 1.670 500 H HN 0.556 nan 8.280 nan 0.000 0.539 501 R N -0.758 119.707 120.500 -0.058 0.000 4.067 501 R HA -0.265 4.048 4.340 -0.044 0.000 0.302 501 R C -0.102 176.174 176.300 -0.040 0.000 0.241 501 R CA 0.822 56.837 56.100 -0.142 0.000 1.020 501 R CB -1.213 28.930 30.300 -0.262 0.000 1.057 501 R HN 0.432 nan 8.270 nan 0.000 0.533 509 A N 2.070 124.881 122.820 -0.014 0.000 2.524 509 A HA 0.935 5.228 4.320 -0.044 0.000 0.286 509 A C -1.568 176.014 177.584 -0.004 0.000 1.203 509 A CA -0.663 51.362 52.037 -0.020 0.000 0.736 509 A CB 1.136 20.104 19.000 -0.052 0.000 1.322 509 A HN 0.385 nan 8.150 nan 0.000 0.424 510 L N 0.228 121.447 121.223 -0.007 0.000 2.362 510 L HA 0.687 5.001 4.340 -0.044 0.000 0.271 510 L C -0.727 176.139 176.870 -0.006 0.000 1.002 510 L CA -0.413 54.428 54.840 0.001 0.000 0.818 510 L CB 1.880 43.942 42.059 0.004 0.000 1.298 510 L HN 0.773 nan 8.230 nan 0.000 0.420 511 M N 1.274 120.881 119.600 0.010 0.000 2.259 511 M HA 0.387 4.840 4.480 -0.044 0.000 0.304 511 M C -0.230 176.075 176.300 0.008 0.000 1.019 511 M CA -0.537 54.775 55.300 0.020 0.000 0.922 511 M CB 2.057 34.703 32.600 0.078 0.000 1.600 511 M HN 0.569 nan 8.290 nan 0.000 0.433 512 N N 1.947 120.630 118.700 -0.028 0.000 2.158 512 N HA 0.007 4.720 4.740 -0.044 0.000 0.248 512 N C 1.031 176.539 175.510 -0.002 0.000 1.258 512 N CA 0.406 53.434 53.050 -0.036 0.000 0.924 512 N CB 0.386 38.813 38.487 -0.101 0.000 0.982 512 N HN 0.605 nan 8.380 nan 0.000 0.414 513 K N -0.239 120.154 120.400 -0.012 0.000 2.052 513 K HA -0.181 4.112 4.320 -0.044 0.000 0.215 513 K C 1.370 177.973 176.600 0.004 0.000 1.053 513 K CA 2.188 58.476 56.287 0.001 0.000 0.934 513 K CB -0.590 31.904 32.500 -0.010 0.000 0.717 513 K HN 0.746 nan 8.250 nan 0.000 0.450 514 G N -0.612 108.186 108.800 -0.004 0.000 3.462 514 G HA2 0.003 3.936 3.960 -0.044 0.000 0.168 514 G HA3 0.003 3.936 3.960 -0.044 0.000 0.168 514 G C 0.117 175.035 174.900 0.030 0.000 1.220 514 G CA -0.420 44.682 45.100 0.003 0.000 0.862 514 G HN -0.006 nan 8.290 nan 0.000 0.812 515 K N 0.049 120.450 120.400 0.001 0.000 2.332 515 K HA 0.509 4.802 4.320 -0.044 0.000 0.246 515 K C -0.261 176.352 176.600 0.023 0.000 1.066 515 K CA -0.249 56.043 56.287 0.009 0.000 0.898 515 K CB 0.326 32.802 32.500 -0.040 0.000 1.192 515 K HN 0.014 nan 8.250 nan 0.000 0.509 516 M N 0.842 120.444 119.600 0.003 0.000 2.423 516 M HA 0.223 4.676 4.480 -0.044 0.000 0.335 516 M C -0.816 175.458 176.300 -0.043 0.000 1.177 516 M CA -1.227 54.070 55.300 -0.006 0.000 1.038 516 M CB 1.548 34.149 32.600 0.001 0.000 1.641 516 M HN 0.197 nan 8.290 nan 0.000 0.455 517 V N 2.633 122.521 119.914 -0.042 0.000 2.407 517 V HA 0.185 4.279 4.120 -0.044 0.000 0.278 517 V C -0.311 175.759 176.094 -0.040 0.000 1.037 517 V CA -1.080 61.186 62.300 -0.058 0.000 0.900 517 V CB 0.982 32.771 31.823 -0.056 0.000 0.983 517 V HN 0.659 nan 8.190 nan 0.000 0.459 518 D N 3.539 123.915 120.400 -0.040 0.000 2.536 518 D HA 0.040 4.653 4.640 -0.044 0.000 0.260 518 D C 0.401 176.693 176.300 -0.013 0.000 1.270 518 D CA 0.864 54.856 54.000 -0.015 0.000 0.934 518 D CB 0.273 41.076 40.800 0.004 0.000 1.129 518 D HN 0.607 nan 8.370 nan 0.000 0.533 519 T N 2.878 117.426 114.554 -0.011 0.000 2.824 519 T HA 0.575 4.898 4.350 -0.044 0.000 0.280 519 T C -0.290 174.406 174.700 -0.007 0.000 0.995 519 T CA -0.637 61.457 62.100 -0.011 0.000 1.009 519 T CB 1.240 70.099 68.868 -0.016 0.000 0.955 519 T HN 0.174 nan 8.240 nan 0.000 0.452 520 L N 3.827 125.044 121.223 -0.010 0.000 2.464 520 L HA 0.844 5.157 4.340 -0.044 0.000 0.266 520 L C -1.523 175.347 176.870 -0.001 0.000 0.965 520 L CA -0.722 54.114 54.840 -0.006 0.000 0.833 520 L CB 2.041 44.091 42.059 -0.014 0.000 1.296 520 L HN 0.467 nan 8.230 nan 0.000 0.405 521 V N 6.572 126.491 119.914 0.009 0.000 2.623 521 V HA 0.611 4.704 4.120 -0.044 0.000 0.304 521 V C -0.507 175.609 176.094 0.037 0.000 1.054 521 V CA -0.521 61.789 62.300 0.017 0.000 0.882 521 V CB 1.914 33.730 31.823 -0.012 0.000 1.002 521 V HN 0.871 nan 8.190 nan 0.000 0.424 522 M N 4.543 124.183 119.600 0.066 0.000 2.363 522 M HA 0.746 5.199 4.480 -0.044 0.000 0.343 522 M C -0.361 175.984 176.300 0.076 0.000 1.165 522 M CA -0.235 55.111 55.300 0.076 0.000 1.046 522 M CB 1.710 34.369 32.600 0.099 0.000 1.648 522 M HN 0.487 nan 8.290 nan 0.000 0.452 523 S N 0.169 115.910 115.700 0.068 0.000 2.541 523 S HA 0.721 5.164 4.470 -0.044 0.000 0.280 523 S C 0.295 174.916 174.600 0.035 0.000 1.112 523 S CA -0.267 57.966 58.200 0.055 0.000 0.925 523 S CB 1.998 65.231 63.200 0.054 0.000 1.067 523 S HN 0.822 nan 8.310 nan 0.000 0.479 524 A N 2.140 124.967 122.820 0.012 0.000 2.123 524 A HA 0.215 4.508 4.320 -0.044 0.000 0.214 524 A C 0.815 178.344 177.584 -0.090 0.000 1.152 524 A CA 0.802 52.818 52.037 -0.035 0.000 0.728 524 A CB -0.332 18.644 19.000 -0.039 0.000 0.814 524 A HN 0.803 nan 8.150 nan 0.000 0.464 525 T N 0.276 114.793 114.554 -0.061 0.000 2.947 525 T HA 0.529 4.852 4.350 -0.044 0.000 0.337 525 T C -2.709 171.943 174.700 -0.081 0.000 1.139 525 T CA -1.885 60.160 62.100 -0.093 0.000 0.992 525 T CB 1.186 70.027 68.868 -0.045 0.000 1.043 525 T HN -0.047 nan 8.240 nan 0.000 0.498 526 P HA 0.275 nan 4.420 nan 0.000 0.274 526 P C -0.485 176.823 177.300 0.013 0.000 1.248 526 P CA -0.226 62.712 63.100 -0.269 0.000 0.827 526 P CB 0.412 31.413 31.700 -1.164 0.000 0.972 527 I N -0.728 119.997 120.570 0.258 0.000 2.735 527 I HA 0.193 4.336 4.170 -0.044 0.000 0.287 527 I C -2.563 173.782 176.117 0.380 0.000 1.452 527 I CA -1.989 59.473 61.300 0.269 0.000 1.061 527 I CB 2.536 40.681 38.000 0.240 0.000 1.383 527 I HN 0.216 nan 8.210 nan 0.000 0.425 528 P HA 0.120 nan 4.420 nan 0.000 0.272 528 P C 0.326 177.727 177.300 0.169 0.000 1.230 528 P CA -0.300 62.960 63.100 0.267 0.000 0.788 528 P CB 1.062 32.905 31.700 0.238 0.000 0.949 529 R N 1.978 122.526 120.500 0.081 0.000 2.094 529 R HA -0.173 4.140 4.340 -0.044 0.000 0.239 529 R C 2.136 178.428 176.300 -0.014 0.000 1.137 529 R CA 2.758 58.871 56.100 0.023 0.000 0.943 529 R CB -0.965 29.326 30.300 -0.015 0.000 0.850 529 R HN 0.656 nan 8.270 nan 0.000 0.433 530 S N 0.616 116.297 115.700 -0.031 0.000 2.368 530 S HA -0.282 4.161 4.470 -0.044 0.000 0.226 530 S C 2.136 176.680 174.600 -0.093 0.000 1.044 530 S CA 1.868 59.964 58.200 -0.173 0.000 1.062 530 S CB -0.586 62.418 63.200 -0.326 0.000 0.931 530 S HN 0.508 nan 8.310 nan 0.000 0.440 531 M N 1.342 121.025 119.600 0.139 0.000 2.229 531 M HA 0.018 4.471 4.480 -0.044 0.000 0.264 531 M C 2.374 178.703 176.300 0.048 0.000 1.063 531 M CA 1.291 56.692 55.300 0.168 0.000 1.114 531 M CB -0.627 32.171 32.600 0.331 0.000 1.387 531 M HN 0.580 nan 8.290 nan 0.000 0.420 532 A N 0.794 123.652 122.820 0.063 0.000 1.849 532 A HA -0.187 4.107 4.320 -0.044 0.000 0.217 532 A C 1.782 179.346 177.584 -0.033 0.000 1.202 532 A CA 1.457 53.541 52.037 0.078 0.000 0.629 532 A CB -1.203 17.855 19.000 0.097 0.000 0.834 532 A HN 0.550 nan 8.150 nan 0.000 0.447 533 L N -1.169 119.975 121.223 -0.132 0.000 2.749 533 L HA -0.019 4.294 4.340 -0.044 0.000 0.245 533 L C 1.963 178.583 176.870 -0.415 0.000 1.156 533 L CA 0.641 55.324 54.840 -0.261 0.000 0.890 533 L CB -0.563 41.331 42.059 -0.274 0.000 1.036 533 L HN 0.580 nan 8.230 nan 0.000 0.441 534 A N -2.127 120.438 122.820 -0.424 0.000 2.027 534 A HA 0.198 4.492 4.320 -0.044 0.000 0.196 534 A C 1.300 178.540 177.584 -0.572 0.000 1.573 534 A CA -0.076 51.621 52.037 -0.567 0.000 1.097 534 A CB 0.150 18.758 19.000 -0.653 0.000 1.196 534 A HN 0.230 nan 8.150 nan 0.000 0.462 535 F N -2.149 117.695 119.950 -0.178 0.000 2.712 535 F HA 0.326 4.826 4.527 -0.044 0.000 0.297 535 F C 1.574 177.492 175.800 0.196 0.000 1.114 535 F CA 0.283 58.211 58.000 -0.121 0.000 1.305 535 F CB 0.301 39.016 39.000 -0.476 0.000 1.086 535 F HN 0.225 nan 8.300 nan 0.000 0.599 536 Y N -0.835 119.693 120.300 0.381 0.000 2.678 536 Y HA 0.413 4.937 4.550 -0.045 0.000 0.274 536 Y C 2.440 178.420 175.900 0.134 0.000 1.114 536 Y CA -0.056 58.328 58.100 0.473 0.000 1.274 536 Y CB -1.022 37.583 38.460 0.242 0.000 1.438 536 Y HN 0.005 nan 8.280 nan 0.000 0.493 537 G N 1.781 110.498 108.800 -0.138 0.000 3.545 537 G HA2 -0.581 3.353 3.960 -0.044 0.000 0.372 537 G HA3 -0.581 3.353 3.960 -0.044 0.000 0.372 537 G C 1.301 176.121 174.900 -0.133 0.000 2.079 537 G CA 2.168 47.032 45.100 -0.393 0.000 2.328 537 G HN 0.506 nan 8.290 nan 0.000 0.909 538 D N 0.698 121.122 120.400 0.040 0.000 2.453 538 D HA -0.120 4.494 4.640 -0.044 0.000 0.204 538 D C 1.273 177.690 176.300 0.195 0.000 1.015 538 D CA 1.334 55.579 54.000 0.408 0.000 0.950 538 D CB -0.426 40.823 40.800 0.748 0.000 0.874 538 D HN 0.442 nan 8.370 nan 0.000 0.464 539 L N 1.211 122.534 121.223 0.165 0.000 2.399 539 L HA 0.149 4.462 4.340 -0.044 0.000 0.257 539 L C 1.038 177.942 176.870 0.056 0.000 1.236 539 L CA 0.095 54.990 54.840 0.092 0.000 1.144 539 L CB 0.221 42.332 42.059 0.085 0.000 1.379 539 L HN -0.127 nan 8.230 nan 0.000 0.414 540 D N 0.413 120.839 120.400 0.043 0.000 4.551 540 D HA -0.243 4.370 4.640 -0.044 0.000 0.191 540 D C 0.641 176.952 176.300 0.018 0.000 1.416 540 D CA 1.617 55.631 54.000 0.024 0.000 0.898 540 D CB 0.349 41.163 40.800 0.023 0.000 0.859 540 D HN 0.230 nan 8.370 nan 0.000 0.592 541 V N -3.506 116.425 119.914 0.028 0.000 3.153 541 V HA 0.473 4.567 4.120 -0.044 0.000 0.306 541 V C -1.009 175.110 176.094 0.042 0.000 1.550 541 V CA -0.264 62.052 62.300 0.027 0.000 1.027 541 V CB 2.045 33.881 31.823 0.022 0.000 1.071 541 V HN 0.155 nan 8.190 nan 0.000 0.475 542 T N -0.859 113.719 114.554 0.040 0.000 3.348 542 T HA 0.519 4.842 4.350 -0.044 0.000 0.328 542 T C -1.108 173.615 174.700 0.039 0.000 0.913 542 T CA -0.417 61.717 62.100 0.056 0.000 1.043 542 T CB 0.781 69.699 68.868 0.084 0.000 1.021 542 T HN 0.595 nan 8.240 nan 0.000 0.461 543 V N 5.649 125.588 119.914 0.041 0.000 2.370 543 V HA 0.356 4.449 4.120 -0.044 0.000 0.257 543 V C 0.695 176.815 176.094 0.043 0.000 1.064 543 V CA -0.561 61.758 62.300 0.032 0.000 0.975 543 V CB -0.518 31.328 31.823 0.037 0.000 1.067 543 V HN 0.815 nan 8.190 nan 0.000 0.485 544 I N 3.298 123.878 120.570 0.017 0.000 2.499 544 I HA 0.358 4.501 4.170 -0.044 0.000 0.296 544 I C -0.019 176.123 176.117 0.041 0.000 0.992 544 I CA -0.350 60.972 61.300 0.036 0.000 1.297 544 I CB 1.513 39.420 38.000 -0.155 0.000 1.410 544 I HN 0.493 nan 8.210 nan 0.000 0.507 545 D N 3.733 124.210 120.400 0.130 0.000 2.177 545 D HA 0.291 4.905 4.640 -0.044 0.000 0.247 545 D C -0.538 175.832 176.300 0.116 0.000 1.063 545 D CA -0.121 53.941 54.000 0.104 0.000 0.867 545 D CB 1.060 41.918 40.800 0.097 0.000 1.168 545 D HN 0.237 nan 8.370 nan 0.000 0.445 546 E N 1.906 122.143 120.200 0.060 0.000 2.129 546 E HA 0.256 4.579 4.350 -0.044 0.000 0.268 546 E C -0.494 176.127 176.600 0.036 0.000 0.900 546 E CA -0.615 55.819 56.400 0.056 0.000 0.755 546 E CB 1.578 31.295 29.700 0.028 0.000 1.117 546 E HN 0.478 nan 8.360 nan 0.000 0.410 547 M N 3.999 123.622 119.600 0.038 0.000 2.202 547 M HA 0.324 4.777 4.480 -0.044 0.000 0.316 547 M C -2.024 174.268 176.300 -0.014 0.000 1.138 547 M CA -1.156 54.153 55.300 0.015 0.000 1.151 547 M CB 0.562 33.176 32.600 0.025 0.000 1.422 547 M HN 0.137 nan 8.290 nan 0.000 0.471 548 P HA 0.311 nan 4.420 nan 0.000 0.271 548 P C -2.649 174.621 177.300 -0.051 0.000 1.218 548 P CA -0.851 62.204 63.100 -0.075 0.000 0.780 548 P CB -0.486 31.135 31.700 -0.131 0.000 0.901 549 P HA 0.087 nan 4.420 nan 0.000 0.288 549 P C 0.982 178.270 177.300 -0.021 0.000 1.291 549 P CA 0.192 63.279 63.100 -0.022 0.000 0.766 549 P CB -0.124 31.572 31.700 -0.006 0.000 1.242 550 G N -1.364 107.433 108.800 -0.005 0.000 2.230 550 G HA2 -0.335 3.598 3.960 -0.044 0.000 0.270 550 G HA3 -0.335 3.598 3.960 -0.044 0.000 0.270 550 G C 0.466 175.361 174.900 -0.008 0.000 0.987 550 G CA 0.855 45.955 45.100 -0.000 0.000 0.664 550 G HN 0.725 nan 8.290 nan 0.000 0.539 551 R N 0.847 121.338 120.500 -0.015 0.000 2.207 551 R HA 0.548 4.861 4.340 -0.044 0.000 0.334 551 R C 0.455 176.745 176.300 -0.016 0.000 1.013 551 R CA -0.504 55.585 56.100 -0.018 0.000 0.858 551 R CB 0.458 30.744 30.300 -0.024 0.000 1.094 551 R HN 0.338 nan 8.270 nan 0.000 0.457 552 K N 2.570 122.958 120.400 -0.019 0.000 2.087 552 K HA 0.318 4.611 4.320 -0.044 0.000 0.255 552 K C -0.445 176.135 176.600 -0.033 0.000 0.988 552 K CA -0.709 55.562 56.287 -0.026 0.000 0.915 552 K CB 1.492 33.974 32.500 -0.029 0.000 1.043 552 K HN 0.497 nan 8.250 nan 0.000 0.457 553 E N 0.478 120.652 120.200 -0.043 0.000 2.369 553 E HA 0.191 4.514 4.350 -0.044 0.000 0.270 553 E C -1.006 175.547 176.600 -0.078 0.000 0.909 553 E CA -0.994 55.380 56.400 -0.044 0.000 0.775 553 E CB 2.315 32.002 29.700 -0.020 0.000 1.270 553 E HN 0.203 nan 8.360 nan 0.000 0.445 554 V N 2.825 122.698 119.914 -0.069 0.000 2.611 554 V HA -0.164 3.929 4.120 -0.044 0.000 0.296 554 V C 0.256 176.282 176.094 -0.113 0.000 1.006 554 V CA 0.825 63.065 62.300 -0.100 0.000 1.194 554 V CB -0.687 31.121 31.823 -0.026 0.000 0.871 554 V HN 0.625 nan 8.190 nan 0.000 0.470 555 Q N 3.599 123.307 119.800 -0.154 0.000 2.320 555 Q HA 0.102 4.415 4.340 -0.044 0.000 0.262 555 Q C 0.444 176.365 176.000 -0.132 0.000 1.225 555 Q CA 0.073 55.811 55.803 -0.108 0.000 0.916 555 Q CB -0.081 28.637 28.738 -0.035 0.000 1.417 555 Q HN 0.833 nan 8.270 nan 0.000 0.462 556 T N 3.417 117.863 114.554 -0.179 0.000 2.832 556 T HA 0.456 4.779 4.350 -0.044 0.000 0.296 556 T C 0.027 174.530 174.700 -0.328 0.000 0.968 556 T CA -0.232 61.708 62.100 -0.265 0.000 1.107 556 T CB 0.515 69.186 68.868 -0.328 0.000 0.916 556 T HN 0.370 nan 8.240 nan 0.000 0.517 557 M N 2.984 122.326 119.600 -0.430 0.000 2.644 557 M HA 0.590 5.044 4.480 -0.044 0.000 0.304 557 M C -0.916 175.184 176.300 -0.333 0.000 1.215 557 M CA -0.934 54.116 55.300 -0.416 0.000 0.871 557 M CB 2.262 34.511 32.600 -0.585 0.000 1.740 557 M HN 0.508 nan 8.290 nan 0.000 0.464 558 L N -0.077 121.013 121.223 -0.222 0.000 2.356 558 L HA 0.947 5.260 4.340 -0.044 0.000 0.277 558 L C -1.289 175.545 176.870 -0.060 0.000 0.996 558 L CA -0.955 53.806 54.840 -0.131 0.000 0.822 558 L CB 1.368 43.354 42.059 -0.122 0.000 1.256 558 L HN 0.460 nan 8.230 nan 0.000 0.413 559 V N 4.063 123.981 119.914 0.008 0.000 2.540 559 V HA 0.523 4.616 4.120 -0.044 0.000 0.302 559 V C -1.979 174.144 176.094 0.047 0.000 1.035 559 V CA -1.813 60.517 62.300 0.049 0.000 0.873 559 V CB 2.645 34.555 31.823 0.145 0.000 0.992 559 V HN 0.704 nan 8.190 nan 0.000 0.428 560 P HA 0.073 nan 4.420 nan 0.000 0.270 560 P C 0.633 177.957 177.300 0.039 0.000 1.221 560 P CA 0.148 63.266 63.100 0.030 0.000 0.788 560 P CB 0.361 32.072 31.700 0.019 0.000 0.904 561 M N 1.181 120.802 119.600 0.036 0.000 2.511 561 M HA -0.087 4.367 4.480 -0.044 0.000 0.176 561 M C 1.626 177.931 176.300 0.008 0.000 1.027 561 M CA 1.455 56.774 55.300 0.033 0.000 1.164 561 M CB -1.755 30.866 32.600 0.034 0.000 0.783 561 M HN 0.523 nan 8.290 nan 0.000 0.608 562 D N 0.795 121.191 120.400 -0.006 0.000 3.844 562 D HA -0.357 4.256 4.640 -0.044 0.000 0.433 562 D C 1.225 177.501 176.300 -0.040 0.000 1.184 562 D CA 2.853 56.838 54.000 -0.025 0.000 1.452 562 D CB -1.249 39.542 40.800 -0.015 0.000 0.602 562 D HN 0.585 nan 8.370 nan 0.000 0.725 563 R N 0.459 120.947 120.500 -0.020 0.000 2.400 563 R HA 0.154 4.467 4.340 -0.044 0.000 0.207 563 R C 1.957 178.244 176.300 -0.021 0.000 1.192 563 R CA 0.755 56.845 56.100 -0.017 0.000 1.181 563 R CB -0.524 29.780 30.300 0.007 0.000 0.947 563 R HN 0.434 nan 8.270 nan 0.000 0.479 564 V N -0.214 119.661 119.914 -0.065 0.000 2.488 564 V HA -0.119 3.975 4.120 -0.044 0.000 0.246 564 V C 1.126 177.073 176.094 -0.246 0.000 1.046 564 V CA 1.566 63.817 62.300 -0.081 0.000 1.053 564 V CB -0.161 31.590 31.823 -0.119 0.000 0.679 564 V HN 0.476 nan 8.190 nan 0.000 0.458 565 N N 0.427 118.916 118.700 -0.352 0.000 2.609 565 N HA -0.118 4.595 4.740 -0.044 0.000 0.190 565 N C 1.496 176.952 175.510 -0.091 0.000 1.157 565 N CA 1.110 53.936 53.050 -0.374 0.000 0.918 565 N CB 0.146 38.480 38.487 -0.254 0.000 0.978 565 N HN 0.710 nan 8.380 nan 0.000 0.448 566 E N 0.283 120.455 120.200 -0.045 0.000 2.014 566 E HA -0.067 4.256 4.350 -0.044 0.000 0.190 566 E C 1.861 178.477 176.600 0.027 0.000 0.980 566 E CA 0.778 57.180 56.400 0.005 0.000 0.807 566 E CB 0.139 29.846 29.700 0.011 0.000 0.770 566 E HN -0.036 nan 8.360 nan 0.000 0.451 567 V N 0.651 120.564 119.914 -0.002 0.000 2.220 567 V HA -0.347 3.746 4.120 -0.044 0.000 0.250 567 V C 2.064 178.176 176.094 0.031 0.000 1.056 567 V CA 2.244 64.445 62.300 -0.164 0.000 1.016 567 V CB -1.224 30.410 31.823 -0.315 0.000 0.639 567 V HN 0.330 nan 8.190 nan 0.000 0.446 568 Y N 0.810 121.035 120.300 -0.125 0.000 2.150 568 Y HA -0.386 4.138 4.550 -0.043 0.000 0.264 568 Y C 2.665 178.515 175.900 -0.084 0.000 1.278 568 Y CA 2.338 60.377 58.100 -0.103 0.000 1.089 568 Y CB -1.238 37.169 38.460 -0.089 0.000 0.903 568 Y HN 0.378 nan 8.280 nan 0.000 0.513 569 E N -0.699 119.573 120.200 0.121 0.000 2.031 569 E HA -0.217 4.107 4.350 -0.044 0.000 0.193 569 E C 2.044 178.671 176.600 0.045 0.000 0.994 569 E CA 1.197 57.633 56.400 0.061 0.000 0.800 569 E CB -0.709 29.027 29.700 0.059 0.000 0.752 569 E HN 0.294 nan 8.360 nan 0.000 0.447 570 F N 0.338 120.220 119.950 -0.113 0.000 2.176 570 F HA -0.263 4.243 4.527 -0.036 0.000 0.301 570 F C 1.744 177.456 175.800 -0.145 0.000 1.071 570 F CA 1.421 59.331 58.000 -0.152 0.000 1.289 570 F CB -0.444 38.398 39.000 -0.263 0.000 1.028 570 F HN -0.013 nan 8.300 nan 0.000 0.494 571 V N 0.002 119.752 119.914 -0.274 0.000 2.283 571 V HA -0.229 3.864 4.120 -0.044 0.000 0.243 571 V C 2.488 178.452 176.094 -0.216 0.000 1.039 571 V CA 1.953 64.066 62.300 -0.312 0.000 1.016 571 V CB -0.763 30.944 31.823 -0.193 0.000 0.650 571 V HN 0.170 nan 8.190 nan 0.000 0.449 572 R N -0.476 119.952 120.500 -0.121 0.000 2.165 572 R HA -0.264 4.049 4.340 -0.044 0.000 0.254 572 R C 2.419 178.658 176.300 -0.101 0.000 1.153 572 R CA 2.018 58.075 56.100 -0.071 0.000 0.971 572 R CB -0.251 30.030 30.300 -0.031 0.000 0.878 572 R HN 0.481 nan 8.270 nan 0.000 0.449 573 Q N 0.128 119.842 119.800 -0.144 0.000 1.742 573 Q HA -0.122 4.191 4.340 -0.044 0.000 0.336 573 Q C 1.881 177.746 176.000 -0.225 0.000 0.966 573 Q CA 1.067 56.773 55.803 -0.161 0.000 0.893 573 Q CB -0.790 27.857 28.738 -0.152 0.000 0.927 573 Q HN 0.056 nan 8.270 nan 0.000 0.417 574 E N 0.033 120.000 120.200 -0.388 0.000 2.315 574 E HA -0.174 4.150 4.350 -0.044 0.000 0.215 574 E C 1.865 178.341 176.600 -0.206 0.000 1.069 574 E CA 1.013 57.210 56.400 -0.337 0.000 0.859 574 E CB -0.528 28.853 29.700 -0.533 0.000 0.743 574 E HN 0.171 nan 8.360 nan 0.000 0.469 575 V N -0.672 119.124 119.914 -0.197 0.000 2.951 575 V HA -0.108 3.986 4.120 -0.044 0.000 0.255 575 V C 1.932 177.956 176.094 -0.116 0.000 1.088 575 V CA 1.181 63.399 62.300 -0.137 0.000 1.109 575 V CB -0.107 31.651 31.823 -0.108 0.000 0.724 575 V HN 0.223 nan 8.190 nan 0.000 0.471 576 M N -0.221 119.313 119.600 -0.109 0.000 2.288 576 M HA 0.038 4.492 4.480 -0.044 0.000 0.266 576 M C 1.844 178.094 176.300 -0.084 0.000 1.072 576 M CA 1.488 56.734 55.300 -0.088 0.000 1.132 576 M CB -0.196 32.362 32.600 -0.070 0.000 1.386 576 M HN 0.158 nan 8.290 nan 0.000 0.432 577 R N -0.077 120.371 120.500 -0.087 0.000 2.325 577 R HA 0.304 4.617 4.340 -0.044 0.000 0.214 577 R C 0.489 176.747 176.300 -0.068 0.000 0.961 577 R CA 0.622 56.681 56.100 -0.068 0.000 1.086 577 R CB -0.584 29.680 30.300 -0.059 0.000 1.037 577 R HN 0.480 nan 8.270 nan 0.000 0.493 578 G N 0.617 109.365 108.800 -0.086 0.000 2.414 578 G HA2 -0.159 3.774 3.960 -0.044 0.000 0.256 578 G HA3 -0.159 3.774 3.960 -0.044 0.000 0.256 578 G C -0.025 174.820 174.900 -0.093 0.000 1.128 578 G CA -0.216 44.828 45.100 -0.092 0.000 0.944 578 G HN 0.601 nan 8.290 nan 0.000 0.500 579 G N -1.142 107.596 108.800 -0.104 0.000 2.798 579 G HA2 0.860 4.793 3.960 -0.044 0.000 0.286 579 G HA3 0.860 4.793 3.960 -0.044 0.000 0.286 579 G C -0.603 174.224 174.900 -0.122 0.000 1.389 579 G CA -0.406 44.638 45.100 -0.093 0.000 0.894 579 G HN 0.674 nan 8.290 nan 0.000 0.488 580 Q N -1.270 118.464 119.800 -0.111 0.000 2.484 580 Q HA 0.721 5.035 4.340 -0.044 0.000 0.285 580 Q C -1.215 174.762 176.000 -0.039 0.000 1.097 580 Q CA -1.264 54.462 55.803 -0.128 0.000 0.802 580 Q CB 2.779 31.319 28.738 -0.330 0.000 1.444 580 Q HN 0.843 nan 8.270 nan 0.000 0.429 581 A N 1.333 124.146 122.820 -0.010 0.000 2.375 581 A HA 0.666 4.960 4.320 -0.044 0.000 0.295 581 A C -1.295 176.272 177.584 -0.028 0.000 1.066 581 A CA -0.563 51.483 52.037 0.014 0.000 0.722 581 A CB 0.514 19.502 19.000 -0.020 0.000 1.206 581 A HN 0.545 nan 8.150 nan 0.000 0.435 582 F N 1.240 121.267 119.950 0.129 0.000 2.444 582 F HA 0.538 5.041 4.527 -0.039 0.000 0.331 582 F C 0.626 176.424 175.800 -0.003 0.000 1.167 582 F CA 0.310 58.326 58.000 0.028 0.000 1.262 582 F CB 0.794 39.810 39.000 0.028 0.000 1.196 582 F HN 0.349 nan 8.300 nan 0.000 0.583 583 I N 2.688 123.362 120.570 0.172 0.000 2.563 583 I HA 0.280 4.423 4.170 -0.044 0.000 0.285 583 I C -1.345 174.856 176.117 0.140 0.000 1.123 583 I CA -0.931 60.425 61.300 0.093 0.000 1.059 583 I CB 1.594 39.567 38.000 -0.045 0.000 1.229 583 I HN 0.222 nan 8.210 nan 0.000 0.442 584 V N 3.496 123.507 119.914 0.162 0.000 2.435 584 V HA 0.558 4.651 4.120 -0.044 0.000 0.290 584 V C -0.979 175.290 176.094 0.292 0.000 1.030 584 V CA -0.823 61.604 62.300 0.212 0.000 0.881 584 V CB 1.382 33.319 31.823 0.190 0.000 0.983 584 V HN 0.707 nan 8.190 nan 0.000 0.445 585 Y N 6.036 126.444 120.300 0.181 0.000 2.333 585 Y HA 0.682 5.205 4.550 -0.045 0.000 0.324 585 Y C -2.854 173.155 175.900 0.182 0.000 1.033 585 Y CA -1.992 56.216 58.100 0.181 0.000 1.224 585 Y CB 2.211 40.752 38.460 0.135 0.000 1.120 585 Y HN 0.555 nan 8.280 nan 0.000 0.457 586 P HA -0.022 nan 4.420 nan 0.000 0.314 586 P C -1.008 175.909 177.300 -0.638 0.000 1.376 586 P CA 0.263 63.159 63.100 -0.341 0.000 0.821 586 P CB 0.586 32.176 31.700 -0.184 0.000 1.691 587 L N -1.132 119.854 121.223 -0.395 0.000 2.325 587 L HA 0.494 4.807 4.340 -0.044 0.000 0.278 587 L C 0.304 177.064 176.870 -0.184 0.000 1.023 587 L CA -0.208 54.458 54.840 -0.290 0.000 0.811 587 L CB 0.945 42.910 42.059 -0.157 0.000 1.249 587 L HN 0.168 nan 8.230 nan 0.000 0.431 598 S N 2.214 117.965 115.700 0.085 0.000 2.407 598 S HA -0.212 4.231 4.470 -0.044 0.000 0.235 598 S C 2.184 176.752 174.600 -0.054 0.000 1.036 598 S CA 1.391 59.611 58.200 0.033 0.000 1.013 598 S CB -0.529 62.727 63.200 0.093 0.000 0.820 598 S HN 0.409 nan 8.310 nan 0.000 0.476 599 A N 1.977 124.810 122.820 0.021 0.000 1.873 599 A HA -0.045 4.248 4.320 -0.044 0.000 0.218 599 A C 2.544 180.139 177.584 0.019 0.000 1.193 599 A CA 2.266 54.300 52.037 -0.004 0.000 0.629 599 A CB -1.377 17.720 19.000 0.162 0.000 0.826 599 A HN 0.827 nan 8.150 nan 0.000 0.447 600 V N -0.351 119.573 119.914 0.016 0.000 2.427 600 V HA -0.225 3.868 4.120 -0.044 0.000 0.248 600 V C 2.162 178.304 176.094 0.080 0.000 1.051 600 V CA 1.911 64.224 62.300 0.022 0.000 1.048 600 V CB -1.212 30.593 31.823 -0.031 0.000 0.666 600 V HN 0.582 nan 8.190 nan 0.000 0.456 601 E N 0.076 120.304 120.200 0.047 0.000 2.153 601 E HA -0.152 4.171 4.350 -0.044 0.000 0.194 601 E C 2.127 178.791 176.600 0.108 0.000 0.988 601 E CA 1.198 57.635 56.400 0.061 0.000 0.811 601 E CB -0.260 29.456 29.700 0.027 0.000 0.746 601 E HN 0.454 nan 8.360 nan 0.000 0.466 602 M N -0.523 119.093 119.600 0.027 0.000 2.562 602 M HA -0.037 4.416 4.480 -0.044 0.000 0.257 602 M C 1.587 177.874 176.300 -0.022 0.000 1.099 602 M CA 0.800 56.090 55.300 -0.017 0.000 1.099 602 M CB -0.383 32.020 32.600 -0.329 0.000 1.427 602 M HN 0.123 nan 8.290 nan 0.000 0.489 603 Y N 0.644 120.887 120.300 -0.095 0.000 2.222 603 Y HA -0.039 4.484 4.550 -0.044 0.000 0.290 603 Y C 2.371 178.198 175.900 -0.121 0.000 1.123 603 Y CA 1.453 59.480 58.100 -0.121 0.000 1.120 603 Y CB 0.175 38.573 38.460 -0.103 0.000 1.060 603 Y HN 0.200 nan 8.280 nan 0.000 0.508 604 E N -0.890 119.357 120.200 0.080 0.000 2.478 604 E HA -0.157 4.167 4.350 -0.044 0.000 0.194 604 E C 1.537 178.138 176.600 0.000 0.000 1.045 604 E CA 0.279 56.678 56.400 -0.002 0.000 0.868 604 E CB -0.133 29.603 29.700 0.060 0.000 0.885 604 E HN 0.633 nan 8.360 nan 0.000 0.505 605 Y N 0.272 120.540 120.300 -0.055 0.000 2.373 605 Y HA -0.014 4.511 4.550 -0.042 0.000 0.293 605 Y C 1.483 177.341 175.900 -0.070 0.000 1.129 605 Y CA 0.819 58.889 58.100 -0.051 0.000 1.226 605 Y CB -0.255 38.185 38.460 -0.034 0.000 1.000 605 Y HN 0.034 nan 8.280 nan 0.000 0.549 606 L N 0.222 121.130 121.223 -0.526 0.000 2.554 606 L HA 0.018 4.332 4.340 -0.044 0.000 0.226 606 L C 1.082 177.667 176.870 -0.475 0.000 1.137 606 L CA 0.782 55.265 54.840 -0.594 0.000 0.863 606 L CB -0.209 41.510 42.059 -0.566 0.000 0.985 606 L HN 0.214 nan 8.230 nan 0.000 0.451 607 S N -1.288 114.188 115.700 -0.372 0.000 2.552 607 S HA 0.127 4.570 4.470 -0.044 0.000 0.246 607 S C 0.940 175.426 174.600 -0.191 0.000 1.019 607 S CA -0.428 57.572 58.200 -0.332 0.000 1.045 607 S CB -0.137 62.881 63.200 -0.303 0.000 0.784 607 S HN 0.310 nan 8.310 nan 0.000 0.453 608 K N 1.371 121.677 120.400 -0.156 0.000 2.458 608 K HA 0.117 4.411 4.320 -0.044 0.000 0.194 608 K C 0.983 177.510 176.600 -0.121 0.000 1.024 608 K CA 0.213 56.448 56.287 -0.087 0.000 1.108 608 K CB 0.215 32.728 32.500 0.023 0.000 0.846 608 K HN 0.388 nan 8.250 nan 0.000 0.518 609 E N 1.420 121.487 120.200 -0.220 0.000 2.496 609 E HA 0.006 4.329 4.350 -0.044 0.000 0.202 609 E C 0.771 177.195 176.600 -0.293 0.000 1.021 609 E CA -0.059 56.216 56.400 -0.209 0.000 1.015 609 E CB 0.132 29.673 29.700 -0.266 0.000 1.102 609 E HN -0.025 nan 8.360 nan 0.000 0.452 610 V N 0.720 120.473 119.914 -0.267 0.000 2.526 610 V HA -0.288 3.805 4.120 -0.044 0.000 0.272 610 V C 0.621 176.576 176.094 -0.232 0.000 1.159 610 V CA 1.604 63.730 62.300 -0.292 0.000 1.138 610 V CB -1.494 30.275 31.823 -0.090 0.000 0.718 610 V HN 0.436 nan 8.190 nan 0.000 0.470 616 L N -0.188 121.180 121.223 0.241 0.000 2.370 616 L HA 0.777 5.090 4.340 -0.044 0.000 0.266 616 L C 0.223 177.165 176.870 0.120 0.000 1.002 616 L CA -0.615 54.247 54.840 0.037 0.000 0.818 616 L CB 2.163 43.980 42.059 -0.405 0.000 1.325 616 L HN 0.196 nan 8.230 nan 0.000 0.418 617 G N 0.451 109.248 108.800 -0.005 0.000 2.642 617 G HA2 0.552 4.485 3.960 -0.044 0.000 0.293 617 G HA3 0.552 4.485 3.960 -0.044 0.000 0.293 617 G C -0.774 174.067 174.900 -0.098 0.000 1.341 617 G CA -0.311 44.525 45.100 -0.441 0.000 0.916 617 G HN 0.518 nan 8.290 nan 0.000 0.474 618 L N 0.900 121.971 121.223 -0.254 0.000 2.924 618 L HA 0.700 5.014 4.340 -0.044 0.000 0.172 618 L C 1.184 178.017 176.870 -0.062 0.000 1.292 618 L CA 0.689 55.438 54.840 -0.152 0.000 0.870 618 L CB -0.126 41.648 42.059 -0.474 0.000 1.305 618 L HN 0.745 nan 8.230 nan 0.000 0.535 619 M N 0.700 120.280 119.600 -0.033 0.000 3.506 619 M HA -0.185 4.268 4.480 -0.044 0.000 0.168 619 M C 0.297 176.742 176.300 0.241 0.000 1.393 619 M CA 0.590 55.973 55.300 0.138 0.000 0.921 619 M CB -0.796 31.840 32.600 0.060 0.000 1.302 619 M HN 0.802 nan 8.290 nan 0.000 0.567 620 H N -0.047 118.997 119.070 -0.045 0.000 2.353 620 H HA 0.188 4.717 4.556 -0.045 0.000 0.298 620 H C 1.699 177.022 175.328 -0.009 0.000 1.103 620 H CA 2.476 58.513 56.048 -0.019 0.000 1.293 620 H CB -0.659 29.085 29.762 -0.029 0.000 1.372 620 H HN 1.117 nan 8.280 nan 0.000 0.501 621 G N 0.677 109.421 108.800 -0.093 0.000 3.146 621 G HA2 -0.232 3.701 3.960 -0.044 0.000 0.242 621 G HA3 -0.232 3.701 3.960 -0.044 0.000 0.242 621 G C 0.030 174.825 174.900 -0.176 0.000 1.853 621 G CA -0.145 44.897 45.100 -0.096 0.000 1.465 621 G HN 0.373 nan 8.290 nan 0.000 0.537 622 R N 1.543 121.962 120.500 -0.135 0.000 2.878 622 R HA 0.509 4.822 4.340 -0.044 0.000 0.239 622 R C -0.099 176.095 176.300 -0.176 0.000 1.515 622 R CA 0.312 56.336 56.100 -0.127 0.000 1.210 622 R CB -0.822 29.428 30.300 -0.083 0.000 1.209 622 R HN 0.557 nan 8.270 nan 0.000 0.610 623 L N 1.124 122.201 121.223 -0.243 0.000 2.722 623 L HA -0.033 4.281 4.340 -0.044 0.000 0.329 623 L C -0.299 176.411 176.870 -0.268 0.000 1.257 623 L CA 0.058 54.689 54.840 -0.348 0.000 0.742 623 L CB 0.292 41.809 42.059 -0.904 0.000 1.054 623 L HN 0.273 nan 8.230 nan 0.000 0.528 624 S N -0.384 115.221 115.700 -0.160 0.000 3.363 624 S HA 0.464 4.907 4.470 -0.044 0.000 0.267 624 S C 0.162 174.713 174.600 -0.081 0.000 1.288 624 S CA -0.606 57.524 58.200 -0.116 0.000 0.948 624 S CB 0.628 63.775 63.200 -0.087 0.000 1.397 624 S HN 0.345 nan 8.310 nan 0.000 0.493 625 Q N 1.562 121.318 119.800 -0.074 0.000 2.259 625 Q HA 0.278 4.591 4.340 -0.044 0.000 0.249 625 Q C -0.018 175.957 176.000 -0.042 0.000 0.914 625 Q CA -0.313 55.462 55.803 -0.046 0.000 0.904 625 Q CB 1.246 29.967 28.738 -0.029 0.000 1.213 625 Q HN 0.670 nan 8.270 nan 0.000 0.428 626 E N 1.277 121.452 120.200 -0.041 0.000 2.411 626 E HA 0.015 4.338 4.350 -0.044 0.000 0.204 626 E C -0.609 175.971 176.600 -0.033 0.000 1.059 626 E CA 0.021 56.395 56.400 -0.042 0.000 1.112 626 E CB 0.427 30.094 29.700 -0.055 0.000 1.168 626 E HN 0.389 nan 8.360 nan 0.000 0.445 627 E N 0.851 121.039 120.200 -0.020 0.000 2.282 627 E HA 0.090 4.414 4.350 -0.044 0.000 0.247 627 E C 0.132 176.738 176.600 0.010 0.000 1.113 627 E CA -0.062 56.335 56.400 -0.004 0.000 1.095 627 E CB 0.972 30.672 29.700 -0.001 0.000 1.328 627 E HN 0.162 nan 8.360 nan 0.000 0.463 628 K N 0.564 120.968 120.400 0.007 0.000 2.128 628 K HA -0.057 4.236 4.320 -0.044 0.000 0.202 628 K C 0.909 177.536 176.600 0.045 0.000 1.050 628 K CA 0.750 57.050 56.287 0.022 0.000 0.966 628 K CB 0.410 32.913 32.500 0.005 0.000 0.759 628 K HN 0.115 nan 8.250 nan 0.000 0.454 629 D N 0.719 121.136 120.400 0.029 0.000 2.144 629 D HA -0.184 4.429 4.640 -0.044 0.000 0.199 629 D C 1.731 178.063 176.300 0.054 0.000 0.984 629 D CA 0.654 54.678 54.000 0.040 0.000 0.834 629 D CB -0.164 40.641 40.800 0.008 0.000 0.955 629 D HN -0.077 nan 8.370 nan 0.000 0.465 630 R N 0.878 121.402 120.500 0.040 0.000 2.224 630 R HA -0.196 4.117 4.340 -0.044 0.000 0.251 630 R C 2.162 178.518 176.300 0.093 0.000 1.123 630 R CA 1.182 57.313 56.100 0.052 0.000 0.944 630 R CB -1.116 29.213 30.300 0.048 0.000 0.910 630 R HN 0.263 nan 8.270 nan 0.000 0.440 631 V N 0.599 120.589 119.914 0.126 0.000 2.379 631 V HA -0.218 3.876 4.120 -0.044 0.000 0.245 631 V C 2.575 178.820 176.094 0.252 0.000 1.044 631 V CA 1.947 64.379 62.300 0.220 0.000 1.036 631 V CB -0.444 31.501 31.823 0.203 0.000 0.664 631 V HN 0.278 nan 8.190 nan 0.000 0.453 632 M N -0.906 118.808 119.600 0.189 0.000 2.067 632 M HA -0.168 4.285 4.480 -0.044 0.000 0.260 632 M C 2.334 178.762 176.300 0.213 0.000 1.069 632 M CA 1.819 57.262 55.300 0.238 0.000 1.117 632 M CB -0.638 32.072 32.600 0.182 0.000 1.334 632 M HN 0.309 nan 8.290 nan 0.000 0.407 633 L N 1.098 122.392 121.223 0.118 0.000 2.026 633 L HA -0.322 3.991 4.340 -0.044 0.000 0.231 633 L C 2.272 179.174 176.870 0.053 0.000 1.095 633 L CA 2.273 57.152 54.840 0.064 0.000 0.810 633 L CB -0.565 41.511 42.059 0.030 0.000 0.909 633 L HN 0.361 nan 8.230 nan 0.000 0.444 634 E N -1.757 118.473 120.200 0.050 0.000 2.209 634 E HA -0.278 4.045 4.350 -0.044 0.000 0.196 634 E C 2.057 178.613 176.600 -0.073 0.000 0.993 634 E CA 1.402 57.763 56.400 -0.065 0.000 0.819 634 E CB -0.453 29.176 29.700 -0.119 0.000 0.745 634 E HN 0.556 nan 8.360 nan 0.000 0.477 635 F N 1.772 121.704 119.950 -0.031 0.000 2.163 635 F HA 0.069 4.579 4.527 -0.029 0.000 0.297 635 F C 1.970 177.742 175.800 -0.047 0.000 1.094 635 F CA 1.027 59.029 58.000 0.005 0.000 1.290 635 F CB -0.099 38.970 39.000 0.115 0.000 1.017 635 F HN -0.087 nan 8.300 nan 0.000 0.483 636 A N -0.531 122.305 122.820 0.027 0.000 2.416 636 A HA 0.125 4.419 4.320 -0.044 0.000 0.252 636 A C 1.508 179.023 177.584 -0.115 0.000 1.353 636 A CA 0.654 52.647 52.037 -0.073 0.000 0.996 636 A CB -0.785 18.239 19.000 0.041 0.000 0.961 636 A HN 0.601 nan 8.150 nan 0.000 0.523 637 E N -1.861 118.242 120.200 -0.162 0.000 2.652 637 E HA 0.266 4.589 4.350 -0.044 0.000 0.197 637 E C 0.487 176.987 176.600 -0.166 0.000 0.936 637 E CA 0.626 56.951 56.400 -0.125 0.000 1.638 637 E CB 0.816 30.456 29.700 -0.101 0.000 1.884 637 E HN 0.826 nan 8.360 nan 0.000 1.005 638 G N 1.894 110.557 108.800 -0.227 0.000 2.756 638 G HA2 -0.113 3.820 3.960 -0.044 0.000 0.151 638 G HA3 -0.113 3.820 3.960 -0.044 0.000 0.151 638 G C 0.061 174.811 174.900 -0.250 0.000 1.071 638 G CA 0.016 44.959 45.100 -0.263 0.000 0.881 638 G HN 0.063 nan 8.290 nan 0.000 0.517 639 R N -0.948 119.367 120.500 -0.308 0.000 2.316 639 R HA 0.252 4.566 4.340 -0.044 0.000 0.201 639 R C -0.076 176.053 176.300 -0.284 0.000 0.888 639 R CA 0.296 56.178 56.100 -0.364 0.000 1.041 639 R CB 0.632 30.589 30.300 -0.571 0.000 1.115 639 R HN 0.479 nan 8.270 nan 0.000 0.559 640 Y N 0.285 120.625 120.300 0.067 0.000 2.863 640 Y HA 0.140 4.665 4.550 -0.042 0.000 0.348 640 Y C 0.267 176.237 175.900 0.117 0.000 1.028 640 Y CA -0.932 57.283 58.100 0.193 0.000 1.213 640 Y CB 1.100 39.779 38.460 0.366 0.000 1.120 640 Y HN -0.056 nan 8.280 nan 0.000 0.598 641 D N 2.017 122.491 120.400 0.124 0.000 2.347 641 D HA -0.261 4.353 4.640 -0.044 0.000 0.189 641 D C 0.479 176.818 176.300 0.064 0.000 1.020 641 D CA 2.390 56.384 54.000 -0.010 0.000 0.875 641 D CB 0.148 40.964 40.800 0.026 0.000 0.928 641 D HN 0.615 nan 8.370 nan 0.000 0.454 642 I N -3.377 117.356 120.570 0.272 0.000 2.957 642 I HA 0.424 4.567 4.170 -0.044 0.000 0.310 642 I C -0.715 175.598 176.117 0.326 0.000 1.063 642 I CA -1.084 60.384 61.300 0.279 0.000 1.033 642 I CB 1.573 39.610 38.000 0.063 0.000 1.230 642 I HN -0.178 nan 8.210 nan 0.000 0.447 643 L N 3.613 124.864 121.223 0.047 0.000 2.491 643 L HA 0.760 5.073 4.340 -0.044 0.000 0.264 643 L C -0.664 176.182 176.870 -0.039 0.000 1.053 643 L CA -1.047 53.706 54.840 -0.145 0.000 0.858 643 L CB 1.977 43.730 42.059 -0.509 0.000 1.519 643 L HN 0.592 nan 8.230 nan 0.000 0.508 644 V N 0.019 119.944 119.914 0.018 0.000 2.719 644 V HA 0.247 4.340 4.120 -0.044 0.000 0.289 644 V C 0.151 176.320 176.094 0.126 0.000 1.167 644 V CA -0.507 61.853 62.300 0.100 0.000 0.929 644 V CB 1.489 33.436 31.823 0.207 0.000 1.050 644 V HN 0.928 nan 8.190 nan 0.000 0.448 645 S N 2.961 118.754 115.700 0.155 0.000 2.229 645 S HA 0.478 4.921 4.470 -0.044 0.000 0.221 645 S C 0.273 174.965 174.600 0.154 0.000 1.316 645 S CA 0.305 58.595 58.200 0.151 0.000 1.002 645 S CB 0.195 63.500 63.200 0.175 0.000 0.854 645 S HN 1.381 nan 8.310 nan 0.000 0.451 646 T N 1.183 115.817 114.554 0.133 0.000 1.183 646 T HA 0.187 4.510 4.350 -0.044 0.000 0.708 646 T C -0.128 174.591 174.700 0.032 0.000 0.972 646 T CA 1.014 63.155 62.100 0.068 0.000 3.745 646 T CB -2.215 66.711 68.868 0.097 0.000 2.139 646 T HN 2.279 nan 8.240 nan 0.000 0.410 647 T N -1.918 112.630 114.554 -0.010 0.000 5.159 647 T HA -0.094 4.229 4.350 -0.044 0.000 0.278 647 T C 0.156 174.852 174.700 -0.007 0.000 1.922 647 T CA -0.106 61.979 62.100 -0.024 0.000 3.372 647 T CB -2.324 66.535 68.868 -0.015 0.000 1.111 647 T HN 1.981 nan 8.240 nan 0.000 1.092 648 V N 2.839 122.760 119.914 0.011 0.000 3.393 648 V HA -0.182 3.911 4.120 -0.044 0.000 0.277 648 V C 1.794 177.892 176.094 0.007 0.000 1.257 648 V CA 1.011 63.340 62.300 0.048 0.000 1.316 648 V CB -1.270 30.588 31.823 0.059 0.000 0.755 648 V HN 0.785 nan 8.190 nan 0.000 0.370 649 I N 3.065 123.631 120.570 -0.006 0.000 2.993 649 I HA 0.087 4.230 4.170 -0.044 0.000 0.301 649 I C 0.837 176.928 176.117 -0.043 0.000 1.229 649 I CA 0.340 61.620 61.300 -0.034 0.000 1.435 649 I CB -0.104 37.847 38.000 -0.081 0.000 1.328 649 I HN 0.672 nan 8.210 nan 0.000 0.584 650 E N 4.002 124.183 120.200 -0.032 0.000 2.446 650 E HA 0.430 4.753 4.350 -0.044 0.000 0.251 650 E C -0.303 176.278 176.600 -0.032 0.000 1.087 650 E CA -0.967 55.416 56.400 -0.028 0.000 0.937 650 E CB 1.122 30.812 29.700 -0.017 0.000 1.254 650 E HN 0.502 nan 8.360 nan 0.000 0.479 651 V N 0.386 120.285 119.914 -0.025 0.000 2.836 651 V HA 0.300 4.393 4.120 -0.044 0.000 0.368 651 V C 0.369 176.451 176.094 -0.019 0.000 1.452 651 V CA 0.248 62.531 62.300 -0.028 0.000 1.586 651 V CB -0.963 30.846 31.823 -0.024 0.000 1.436 651 V HN 0.725 nan 8.190 nan 0.000 0.541 652 G N 0.979 109.768 108.800 -0.018 0.000 3.387 652 G HA2 0.524 4.457 3.960 -0.044 0.000 0.194 652 G HA3 0.524 4.457 3.960 -0.044 0.000 0.194 652 G C 0.107 174.990 174.900 -0.030 0.000 1.417 652 G CA -0.559 44.524 45.100 -0.027 0.000 0.777 652 G HN 0.518 nan 8.290 nan 0.000 0.721 653 I N 0.230 120.792 120.570 -0.015 0.000 2.638 653 I HA 0.478 4.621 4.170 -0.044 0.000 0.286 653 I C -1.591 174.565 176.117 0.065 0.000 1.088 653 I CA -0.379 60.921 61.300 0.000 0.000 1.397 653 I CB 1.289 39.294 38.000 0.007 0.000 1.414 653 I HN 0.099 nan 8.210 nan 0.000 0.566 654 D N 6.880 127.324 120.400 0.073 0.000 2.549 654 D HA 0.281 4.894 4.640 -0.044 0.000 0.251 654 D C -0.423 175.963 176.300 0.142 0.000 1.153 654 D CA -0.208 53.855 54.000 0.106 0.000 0.861 654 D CB 2.031 42.865 40.800 0.057 0.000 1.207 654 D HN 0.524 nan 8.370 nan 0.000 0.543 655 V N 2.066 122.126 119.914 0.243 0.000 2.385 655 V HA 0.357 4.450 4.120 -0.044 0.000 0.269 655 V C -1.949 174.217 176.094 0.120 0.000 1.043 655 V CA -1.334 61.085 62.300 0.198 0.000 0.906 655 V CB 1.709 33.741 31.823 0.349 0.000 0.995 655 V HN 0.229 nan 8.190 nan 0.000 0.467 656 P HA -0.036 nan 4.420 nan 0.000 0.213 656 P C 1.622 178.931 177.300 0.016 0.000 1.170 656 P CA 1.379 64.496 63.100 0.029 0.000 0.893 656 P CB 0.046 31.746 31.700 0.000 0.000 0.784 657 R N -0.270 120.207 120.500 -0.040 0.000 2.293 657 R HA 0.036 4.350 4.340 -0.044 0.000 0.219 657 R C 0.616 176.902 176.300 -0.023 0.000 1.091 657 R CA 0.353 56.421 56.100 -0.054 0.000 1.004 657 R CB -0.734 29.492 30.300 -0.123 0.000 0.865 657 R HN 0.103 nan 8.270 nan 0.000 0.469 658 A N 1.694 124.526 122.820 0.020 0.000 2.535 658 A HA -0.039 4.254 4.320 -0.044 0.000 0.290 658 A C 0.770 178.445 177.584 0.151 0.000 1.270 658 A CA 0.083 52.174 52.037 0.090 0.000 0.937 658 A CB -0.293 18.856 19.000 0.248 0.000 1.096 658 A HN 0.299 nan 8.150 nan 0.000 0.534 659 N N 1.232 120.006 118.700 0.122 0.000 2.251 659 N HA -0.015 4.698 4.740 -0.044 0.000 0.181 659 N C 0.257 175.948 175.510 0.302 0.000 1.019 659 N CA 1.038 54.198 53.050 0.184 0.000 0.862 659 N CB 0.276 38.851 38.487 0.147 0.000 0.992 659 N HN 0.470 nan 8.380 nan 0.000 0.429 660 V N 0.879 120.958 119.914 0.275 0.000 2.914 660 V HA 0.513 4.606 4.120 -0.044 0.000 0.314 660 V C -0.968 175.346 176.094 0.367 0.000 1.084 660 V CA -0.639 61.885 62.300 0.374 0.000 0.963 660 V CB 2.214 34.219 31.823 0.303 0.000 1.025 660 V HN 0.126 nan 8.190 nan 0.000 0.432 661 M N 5.645 125.487 119.600 0.404 0.000 2.591 661 M HA 0.797 5.250 4.480 -0.044 0.000 0.306 661 M C -2.053 174.430 176.300 0.304 0.000 1.190 661 M CA -0.181 55.337 55.300 0.363 0.000 0.889 661 M CB 2.244 35.011 32.600 0.278 0.000 1.728 661 M HN 0.295 nan 8.290 nan 0.000 0.458 662 V N 5.711 125.758 119.914 0.222 0.000 2.595 662 V HA 0.395 4.488 4.120 -0.044 0.000 0.269 662 V C -0.822 175.335 176.094 0.106 0.000 0.982 662 V CA -0.471 61.930 62.300 0.169 0.000 0.873 662 V CB 0.845 32.727 31.823 0.098 0.000 1.051 662 V HN 0.838 nan 8.190 nan 0.000 0.466 663 I N 3.020 123.620 120.570 0.050 0.000 2.428 663 I HA 0.500 4.643 4.170 -0.044 0.000 0.289 663 I C 0.505 176.610 176.117 -0.020 0.000 1.019 663 I CA -0.011 61.251 61.300 -0.064 0.000 1.351 663 I CB 1.066 38.922 38.000 -0.239 0.000 1.412 663 I HN 0.515 nan 8.210 nan 0.000 0.513 664 E N 3.691 123.904 120.200 0.021 0.000 2.355 664 E HA 0.296 4.619 4.350 -0.044 0.000 0.261 664 E C -0.479 176.189 176.600 0.114 0.000 0.943 664 E CA -1.007 55.456 56.400 0.105 0.000 0.806 664 E CB 1.062 30.883 29.700 0.202 0.000 1.286 664 E HN 0.480 nan 8.360 nan 0.000 0.424 665 N N 2.146 120.933 118.700 0.144 0.000 2.828 665 N HA -0.154 4.559 4.740 -0.044 0.000 0.277 665 N C -2.195 173.425 175.510 0.184 0.000 0.971 665 N CA 0.114 53.252 53.050 0.148 0.000 0.861 665 N CB -0.826 37.760 38.487 0.165 0.000 0.925 665 N HN 0.274 nan 8.380 nan 0.000 0.585 666 P HA 0.007 nan 4.420 nan 0.000 0.317 666 P C 0.865 178.303 177.300 0.230 0.000 1.316 666 P CA 0.114 63.253 63.100 0.065 0.000 0.744 666 P CB 0.497 32.097 31.700 -0.166 0.000 1.521 667 E N -0.928 119.420 120.200 0.247 0.000 3.904 667 E HA -0.280 4.043 4.350 -0.044 0.000 0.316 667 E C 1.503 178.252 176.600 0.249 0.000 0.643 667 E CA 1.866 58.405 56.400 0.232 0.000 1.129 667 E CB -1.674 28.114 29.700 0.148 0.000 1.635 667 E HN 0.664 nan 8.360 nan 0.000 0.424 668 R N -0.171 120.511 120.500 0.304 0.000 2.159 668 R HA -0.037 4.276 4.340 -0.044 0.000 0.237 668 R C 1.284 177.650 176.300 0.109 0.000 1.131 668 R CA 1.299 57.485 56.100 0.143 0.000 0.982 668 R CB -0.625 29.716 30.300 0.068 0.000 0.868 668 R HN 0.087 nan 8.270 nan 0.000 0.453 669 F N 1.752 121.715 119.950 0.022 0.000 2.399 669 F HA 0.352 4.852 4.527 -0.044 0.000 0.342 669 F C 1.635 177.445 175.800 0.017 0.000 1.106 669 F CA -0.767 57.244 58.000 0.018 0.000 1.196 669 F CB 0.732 39.754 39.000 0.036 0.000 1.163 669 F HN 0.006 nan 8.300 nan 0.000 0.547 670 G N 1.570 110.470 108.800 0.168 0.000 2.683 670 G HA2 0.226 4.160 3.960 -0.044 0.000 0.260 670 G HA3 0.226 4.160 3.960 -0.044 0.000 0.260 670 G C -1.026 173.931 174.900 0.095 0.000 1.238 670 G CA -0.742 44.411 45.100 0.089 0.000 0.934 670 G HN 0.631 nan 8.290 nan 0.000 0.534 671 L N 1.076 122.324 121.223 0.042 0.000 2.328 671 L HA 0.535 4.849 4.340 -0.044 0.000 0.280 671 L C 0.844 177.675 176.870 -0.065 0.000 1.111 671 L CA 1.239 56.059 54.840 -0.033 0.000 0.909 671 L CB 0.308 42.377 42.059 0.017 0.000 1.277 671 L HN 0.841 nan 8.230 nan 0.000 0.433 672 A N 1.747 124.532 122.820 -0.059 0.000 3.557 672 A HA -0.110 4.184 4.320 -0.044 0.000 0.194 672 A C 1.372 178.987 177.584 0.051 0.000 1.301 672 A CA 0.290 52.326 52.037 -0.001 0.000 1.197 672 A CB -0.471 18.533 19.000 0.006 0.000 0.853 672 A HN 0.448 nan 8.150 nan 0.000 0.405 673 Q N 0.637 120.484 119.800 0.079 0.000 2.133 673 Q HA -0.177 4.136 4.340 -0.044 0.000 0.208 673 Q C 1.958 178.054 176.000 0.160 0.000 0.991 673 Q CA 1.912 57.795 55.803 0.133 0.000 0.867 673 Q CB -0.349 28.511 28.738 0.202 0.000 0.911 673 Q HN 0.762 nan 8.270 nan 0.000 0.417 674 L N -0.223 121.087 121.223 0.145 0.000 2.042 674 L HA -0.244 4.069 4.340 -0.044 0.000 0.210 674 L C 2.603 179.558 176.870 0.142 0.000 1.076 674 L CA 1.241 56.154 54.840 0.120 0.000 0.749 674 L CB -0.652 41.502 42.059 0.158 0.000 0.893 674 L HN 0.345 nan 8.230 nan 0.000 0.432 675 H N 0.285 119.282 119.070 -0.122 0.000 2.253 675 H HA -0.181 4.348 4.556 -0.045 0.000 0.296 675 H C 2.162 177.469 175.328 -0.035 0.000 1.074 675 H CA 1.755 57.736 56.048 -0.112 0.000 1.263 675 H CB -0.345 29.306 29.762 -0.186 0.000 1.363 675 H HN 0.247 nan 8.280 nan 0.000 0.489 676 Q N -0.071 119.770 119.800 0.069 0.000 2.052 676 Q HA -0.277 4.036 4.340 -0.044 0.000 0.236 676 Q C 2.587 178.584 176.000 -0.006 0.000 1.074 676 Q CA 2.794 58.587 55.803 -0.017 0.000 0.921 676 Q CB -0.679 28.062 28.738 0.006 0.000 1.038 676 Q HN 0.445 nan 8.270 nan 0.000 0.453 677 L N -0.477 120.754 121.223 0.013 0.000 2.030 677 L HA -0.332 3.981 4.340 -0.044 0.000 0.222 677 L C 2.706 179.581 176.870 0.008 0.000 1.082 677 L CA 2.057 56.876 54.840 -0.034 0.000 0.785 677 L CB -0.602 41.456 42.059 -0.000 0.000 0.895 677 L HN 0.319 nan 8.230 nan 0.000 0.439 678 R N -0.263 120.323 120.500 0.143 0.000 2.073 678 R HA -0.134 4.179 4.340 -0.044 0.000 0.234 678 R C 2.405 178.776 176.300 0.120 0.000 1.134 678 R CA 1.411 57.622 56.100 0.185 0.000 0.952 678 R CB -0.718 29.796 30.300 0.357 0.000 0.850 678 R HN 0.499 nan 8.270 nan 0.000 0.433 679 G N 0.755 109.604 108.800 0.080 0.000 2.529 679 G HA2 -0.312 3.621 3.960 -0.044 0.000 0.219 679 G HA3 -0.312 3.621 3.960 -0.044 0.000 0.219 679 G C 1.276 176.173 174.900 -0.004 0.000 1.177 679 G CA 0.505 45.598 45.100 -0.012 0.000 0.773 679 G HN 0.195 nan 8.290 nan 0.000 0.573 680 R N -0.289 120.183 120.500 -0.048 0.000 2.421 680 R HA 0.054 4.367 4.340 -0.044 0.000 0.208 680 R C -0.483 175.865 176.300 0.080 0.000 1.103 680 R CA 0.242 56.303 56.100 -0.065 0.000 1.065 680 R CB -0.665 29.451 30.300 -0.307 0.000 0.839 680 R HN 0.261 nan 8.270 nan 0.000 0.480 681 V N -1.216 118.768 119.914 0.118 0.000 2.624 681 V HA 0.445 4.538 4.120 -0.044 0.000 0.294 681 V C 0.462 176.644 176.094 0.145 0.000 1.077 681 V CA 0.137 62.568 62.300 0.219 0.000 0.905 681 V CB 1.632 33.648 31.823 0.323 0.000 1.025 681 V HN 0.426 nan 8.190 nan 0.000 0.440 682 G N 4.773 113.646 108.800 0.121 0.000 3.400 682 G HA2 -0.019 3.915 3.960 -0.044 0.000 0.111 682 G HA3 -0.019 3.915 3.960 -0.044 0.000 0.111 682 G C 0.022 174.951 174.900 0.047 0.000 2.370 682 G CA -0.265 44.870 45.100 0.057 0.000 1.153 682 G HN 0.775 nan 8.290 nan 0.000 0.329 683 R N 1.473 122.002 120.500 0.047 0.000 2.771 683 R HA 0.130 4.443 4.340 -0.044 0.000 0.234 683 R C 0.945 177.265 176.300 0.033 0.000 0.896 683 R CA 2.002 58.126 56.100 0.039 0.000 0.973 683 R CB -1.132 29.200 30.300 0.054 0.000 0.913 683 R HN 2.467 nan 8.270 nan 0.000 0.395 684 G N 0.891 109.706 108.800 0.024 0.000 2.659 684 G HA2 -0.117 3.816 3.960 -0.044 0.000 0.214 684 G HA3 -0.117 3.816 3.960 -0.044 0.000 0.214 684 G C 0.474 175.382 174.900 0.014 0.000 1.191 684 G CA 0.479 45.591 45.100 0.020 0.000 1.141 684 G HN 0.917 nan 8.290 nan 0.000 0.581 685 G N -2.436 106.371 108.800 0.012 0.000 2.828 685 G HA2 0.393 4.326 3.960 -0.044 0.000 0.201 685 G HA3 0.393 4.326 3.960 -0.044 0.000 0.201 685 G C 1.036 175.934 174.900 -0.004 0.000 1.102 685 G CA 1.627 46.728 45.100 0.002 0.000 0.815 685 G HN 1.243 nan 8.290 nan 0.000 0.590 686 Q N -0.530 119.276 119.800 0.010 0.000 2.100 686 Q HA -0.283 4.031 4.340 -0.044 0.000 0.163 686 Q C 0.500 176.496 176.000 -0.008 0.000 0.618 686 Q CA 1.446 57.262 55.803 0.023 0.000 1.485 686 Q CB -1.155 27.601 28.738 0.030 0.000 1.627 686 Q HN 0.744 nan 8.270 nan 0.000 0.824 687 E N 0.197 120.359 120.200 -0.063 0.000 1.906 687 E HA -0.210 4.114 4.350 -0.044 0.000 0.168 687 E C 0.205 176.536 176.600 -0.447 0.000 1.352 687 E CA 0.373 56.654 56.400 -0.198 0.000 0.615 687 E CB -0.689 28.910 29.700 -0.170 0.000 1.036 687 E HN 0.483 nan 8.360 nan 0.000 0.294 688 A N 1.491 124.158 122.820 -0.255 0.000 2.364 688 A HA 0.406 4.700 4.320 -0.044 0.000 0.258 688 A C -0.446 176.875 177.584 -0.438 0.000 1.131 688 A CA 0.498 52.441 52.037 -0.157 0.000 0.800 688 A CB 0.296 19.330 19.000 0.056 0.000 1.086 688 A HN 0.431 nan 8.150 nan 0.000 0.508 689 Y N -2.647 117.781 120.300 0.215 0.000 2.544 689 Y HA 0.500 5.021 4.550 -0.050 0.000 0.342 689 Y C -0.185 175.888 175.900 0.288 0.000 1.062 689 Y CA -1.011 57.228 58.100 0.232 0.000 1.023 689 Y CB 1.620 40.338 38.460 0.430 0.000 1.308 689 Y HN 0.995 nan 8.280 nan 0.000 0.457 690 C N 1.509 120.977 119.300 0.281 0.000 2.505 690 C HA 0.841 5.274 4.460 -0.044 0.000 0.342 690 C C -1.156 173.895 174.990 0.102 0.000 1.121 690 C CA -0.988 58.200 59.018 0.285 0.000 1.306 690 C CB -1.230 26.613 27.740 0.171 0.000 1.897 690 C HN 0.595 nan 8.230 nan 0.000 0.446 691 F N 3.280 123.265 119.950 0.058 0.000 2.380 691 F HA 0.808 5.307 4.527 -0.046 0.000 0.319 691 F C 0.357 176.146 175.800 -0.020 0.000 1.113 691 F CA -1.298 56.706 58.000 0.008 0.000 1.056 691 F CB 1.278 40.306 39.000 0.046 0.000 1.289 691 F HN 0.621 nan 8.300 nan 0.000 0.515 692 L N -0.009 121.293 121.223 0.132 0.000 2.534 692 L HA 0.464 4.777 4.340 -0.044 0.000 0.259 692 L C -0.881 176.033 176.870 0.073 0.000 1.108 692 L CA -0.699 54.177 54.840 0.061 0.000 0.905 692 L CB 0.207 42.238 42.059 -0.046 0.000 1.138 692 L HN 0.218 nan 8.230 nan 0.000 0.475 693 V N 2.250 122.236 119.914 0.120 0.000 2.839 693 V HA 0.014 4.107 4.120 -0.044 0.000 0.296 693 V C 0.768 176.908 176.094 0.076 0.000 1.239 693 V CA 0.585 62.949 62.300 0.108 0.000 1.349 693 V CB 0.265 32.171 31.823 0.139 0.000 0.852 693 V HN 0.550 nan 8.190 nan 0.000 0.504 694 V N 3.889 123.842 119.914 0.065 0.000 3.113 694 V HA 0.798 4.891 4.120 -0.044 0.000 0.316 694 V C 0.885 177.015 176.094 0.060 0.000 1.125 694 V CA 0.243 62.578 62.300 0.058 0.000 1.026 694 V CB 1.700 33.549 31.823 0.042 0.000 1.080 694 V HN 0.843 nan 8.190 nan 0.000 0.444 695 G N -0.741 108.095 108.800 0.060 0.000 2.765 695 G HA2 0.175 4.108 3.960 -0.044 0.000 0.218 695 G HA3 0.175 4.108 3.960 -0.044 0.000 0.218 695 G C 0.347 175.272 174.900 0.042 0.000 1.271 695 G CA 1.132 46.265 45.100 0.055 0.000 0.865 695 G HN 0.697 nan 8.290 nan 0.000 0.604 696 D N -1.654 118.770 120.400 0.041 0.000 2.573 696 D HA 0.101 4.714 4.640 -0.044 0.000 0.118 696 D C 1.301 177.621 176.300 0.034 0.000 1.480 696 D CA 0.984 55.004 54.000 0.033 0.000 1.470 696 D CB 0.015 40.832 40.800 0.029 0.000 2.083 696 D HN 0.182 nan 8.370 nan 0.000 0.220 697 V N 0.236 120.172 119.914 0.035 0.000 2.251 697 V HA 0.129 4.222 4.120 -0.044 0.000 0.120 697 V C 1.036 177.150 176.094 0.033 0.000 2.679 697 V CA 1.100 63.421 62.300 0.036 0.000 1.910 697 V CB -1.544 30.307 31.823 0.046 0.000 1.193 697 V HN 0.651 nan 8.190 nan 0.000 0.463 698 G N -3.020 105.801 108.800 0.035 0.000 2.677 698 G HA2 0.527 4.460 3.960 -0.044 0.000 0.283 698 G HA3 0.527 4.460 3.960 -0.044 0.000 0.283 698 G C 0.069 174.993 174.900 0.039 0.000 1.221 698 G CA 0.397 45.517 45.100 0.034 0.000 0.851 698 G HN 0.727 nan 8.290 nan 0.000 0.504 699 E N 0.119 120.341 120.200 0.037 0.000 2.081 699 E HA -0.229 4.094 4.350 -0.044 0.000 0.235 699 E C 2.273 178.905 176.600 0.053 0.000 1.043 699 E CA 1.862 58.288 56.400 0.044 0.000 0.924 699 E CB -0.348 29.375 29.700 0.038 0.000 0.821 699 E HN 0.491 nan 8.360 nan 0.000 0.517 700 E N 0.177 120.401 120.200 0.040 0.000 2.136 700 E HA -0.254 4.069 4.350 -0.044 0.000 0.202 700 E C 1.886 178.524 176.600 0.063 0.000 1.019 700 E CA 1.258 57.684 56.400 0.042 0.000 0.819 700 E CB -0.422 29.287 29.700 0.015 0.000 0.739 700 E HN 0.332 nan 8.360 nan 0.000 0.458 701 A N 1.859 124.713 122.820 0.057 0.000 1.827 701 A HA -0.188 4.106 4.320 -0.044 0.000 0.215 701 A C 2.290 179.925 177.584 0.086 0.000 1.212 701 A CA 2.147 54.226 52.037 0.070 0.000 0.624 701 A CB -0.718 18.318 19.000 0.060 0.000 0.853 701 A HN 0.193 nan 8.150 nan 0.000 0.450 702 M N -0.432 119.210 119.600 0.071 0.000 2.358 702 M HA -0.148 4.305 4.480 -0.044 0.000 0.264 702 M C 1.977 178.329 176.300 0.087 0.000 1.064 702 M CA 1.726 57.068 55.300 0.070 0.000 1.093 702 M CB -1.093 31.537 32.600 0.049 0.000 1.401 702 M HN 0.737 nan 8.290 nan 0.000 0.440 703 E N 2.134 122.390 120.200 0.095 0.000 2.147 703 E HA -0.253 4.070 4.350 -0.044 0.000 0.199 703 E C 2.150 178.849 176.600 0.165 0.000 1.005 703 E CA 1.803 58.276 56.400 0.121 0.000 0.810 703 E CB 0.011 29.783 29.700 0.119 0.000 0.736 703 E HN 0.649 nan 8.360 nan 0.000 0.460 704 R N 0.519 121.122 120.500 0.172 0.000 2.051 704 R HA -0.087 4.226 4.340 -0.044 0.000 0.225 704 R C 2.689 179.107 176.300 0.197 0.000 1.155 704 R CA 1.110 57.330 56.100 0.199 0.000 0.945 704 R CB -1.209 29.232 30.300 0.236 0.000 0.840 704 R HN 0.186 nan 8.270 nan 0.000 0.432 705 L N 0.984 122.312 121.223 0.176 0.000 2.011 705 L HA -0.240 4.073 4.340 -0.044 0.000 0.225 705 L C 3.175 180.099 176.870 0.091 0.000 1.084 705 L CA 2.160 57.093 54.840 0.155 0.000 0.791 705 L CB -0.680 41.425 42.059 0.077 0.000 0.898 705 L HN 0.294 nan 8.230 nan 0.000 0.440 706 R N -0.763 119.775 120.500 0.064 0.000 2.133 706 R HA -0.257 4.056 4.340 -0.044 0.000 0.247 706 R C 2.315 178.626 176.300 0.018 0.000 1.151 706 R CA 2.294 58.406 56.100 0.020 0.000 0.971 706 R CB -0.336 29.992 30.300 0.047 0.000 0.866 706 R HN 0.367 nan 8.270 nan 0.000 0.447 707 F N 0.061 119.958 119.950 -0.089 0.000 2.187 707 F HA -0.072 4.428 4.527 -0.044 0.000 0.295 707 F C 1.799 177.529 175.800 -0.117 0.000 1.091 707 F CA 0.849 58.738 58.000 -0.185 0.000 1.308 707 F CB -0.711 38.009 39.000 -0.466 0.000 1.030 707 F HN 0.001 nan 8.300 nan 0.000 0.487 708 F N 1.691 121.582 119.950 -0.097 0.000 2.027 708 F HA -0.379 4.121 4.527 -0.045 0.000 0.297 708 F C 2.633 178.233 175.800 -0.334 0.000 1.129 708 F CA 2.356 60.240 58.000 -0.193 0.000 1.195 708 F CB -0.726 38.230 39.000 -0.073 0.000 0.960 708 F HN 0.173 nan 8.300 nan 0.000 0.485 709 T N -0.575 113.869 114.554 -0.183 0.000 2.778 709 T HA -0.273 4.050 4.350 -0.044 0.000 0.269 709 T C 1.529 176.087 174.700 -0.237 0.000 1.050 709 T CA 1.643 63.522 62.100 -0.368 0.000 1.137 709 T CB -0.758 67.913 68.868 -0.328 0.000 0.860 709 T HN 0.469 nan 8.240 nan 0.000 0.468 710 L N 0.744 121.814 121.223 -0.256 0.000 2.791 710 L HA 0.357 4.671 4.340 -0.044 0.000 0.239 710 L C -0.422 176.261 176.870 -0.311 0.000 1.203 710 L CA -0.292 54.402 54.840 -0.244 0.000 1.002 710 L CB 0.020 41.951 42.059 -0.213 0.000 1.295 710 L HN 0.104 nan 8.230 nan 0.000 0.504 711 N N -0.114 118.389 118.700 -0.328 0.000 2.936 711 N HA 0.131 4.845 4.740 -0.044 0.000 0.243 711 N C 1.000 176.424 175.510 -0.142 0.000 1.149 711 N CA -0.080 52.762 53.050 -0.347 0.000 0.914 711 N CB 1.288 39.350 38.487 -0.709 0.000 1.179 711 N HN 0.011 nan 8.380 nan 0.000 0.502 712 T N -1.310 113.186 114.554 -0.096 0.000 2.932 712 T HA -0.165 4.158 4.350 -0.044 0.000 0.269 712 T C 0.349 175.061 174.700 0.020 0.000 1.131 712 T CA 1.279 63.361 62.100 -0.030 0.000 1.107 712 T CB 0.032 68.885 68.868 -0.025 0.000 0.824 712 T HN 0.305 nan 8.240 nan 0.000 0.552 713 D N -0.991 119.421 120.400 0.020 0.000 2.970 713 D HA 0.439 5.053 4.640 -0.044 0.000 0.230 713 D C 0.430 176.788 176.300 0.097 0.000 1.276 713 D CA -0.450 53.603 54.000 0.088 0.000 0.910 713 D CB 1.625 42.487 40.800 0.104 0.000 1.590 713 D HN 0.048 nan 8.370 nan 0.000 0.551 714 G N 1.372 110.254 108.800 0.137 0.000 3.141 714 G HA2 0.015 3.949 3.960 -0.044 0.000 0.218 714 G HA3 0.015 3.949 3.960 -0.044 0.000 0.218 714 G C 0.849 175.722 174.900 -0.045 0.000 1.170 714 G CA -0.005 45.156 45.100 0.103 0.000 0.769 714 G HN 0.404 nan 8.290 nan 0.000 0.546 715 F N 0.573 120.594 119.950 0.118 0.000 2.274 715 F HA 0.225 4.725 4.527 -0.044 0.000 0.288 715 F C 2.490 178.365 175.800 0.126 0.000 1.069 715 F CA 0.630 58.696 58.000 0.109 0.000 1.343 715 F CB 0.241 39.295 39.000 0.089 0.000 1.089 715 F HN -0.061 nan 8.300 nan 0.000 0.517 716 K N 0.599 121.189 120.400 0.317 0.000 2.442 716 K HA -0.114 4.179 4.320 -0.044 0.000 0.198 716 K C 1.819 178.626 176.600 0.345 0.000 1.044 716 K CA 0.664 57.123 56.287 0.287 0.000 0.948 716 K CB -0.133 32.513 32.500 0.244 0.000 0.762 716 K HN 0.305 nan 8.250 nan 0.000 0.472 717 I N 0.845 121.572 120.570 0.262 0.000 2.113 717 I HA -0.244 3.899 4.170 -0.044 0.000 0.238 717 I C 2.519 178.750 176.117 0.189 0.000 1.070 717 I CA 1.366 62.798 61.300 0.219 0.000 1.332 717 I CB -1.196 36.834 38.000 0.050 0.000 1.044 717 I HN 0.096 nan 8.210 nan 0.000 0.402 718 A N 0.516 123.429 122.820 0.155 0.000 1.877 718 A HA -0.194 4.100 4.320 -0.044 0.000 0.216 718 A C 2.178 179.845 177.584 0.138 0.000 1.186 718 A CA 1.409 53.525 52.037 0.133 0.000 0.620 718 A CB -0.556 18.536 19.000 0.154 0.000 0.822 718 A HN 0.356 nan 8.150 nan 0.000 0.443 719 E N -0.942 119.370 120.200 0.186 0.000 2.095 719 E HA -0.273 4.050 4.350 -0.044 0.000 0.212 719 E C 1.770 178.419 176.600 0.081 0.000 1.044 719 E CA 2.075 58.563 56.400 0.147 0.000 0.857 719 E CB -0.699 29.109 29.700 0.179 0.000 0.764 719 E HN 0.811 nan 8.360 nan 0.000 0.462 720 Y N 1.116 121.397 120.300 -0.032 0.000 2.395 720 Y HA -0.106 4.417 4.550 -0.044 0.000 0.293 720 Y C 1.929 177.718 175.900 -0.186 0.000 1.123 720 Y CA 1.335 59.313 58.100 -0.203 0.000 1.227 720 Y CB 0.117 38.260 38.460 -0.528 0.000 1.012 720 Y HN -0.046 nan 8.280 nan 0.000 0.552 721 D N 0.014 120.442 120.400 0.047 0.000 2.123 721 D HA -0.161 4.452 4.640 -0.044 0.000 0.200 721 D C 2.271 178.497 176.300 -0.123 0.000 0.976 721 D CA 0.916 54.906 54.000 -0.016 0.000 0.831 721 D CB -0.149 40.662 40.800 0.018 0.000 0.974 721 D HN 0.387 nan 8.370 nan 0.000 0.469 722 L N 0.886 122.038 121.223 -0.118 0.000 1.955 722 L HA -0.217 4.096 4.340 -0.044 0.000 0.213 722 L C 2.537 179.265 176.870 -0.236 0.000 1.072 722 L CA 1.365 56.093 54.840 -0.187 0.000 0.755 722 L CB -0.396 41.560 42.059 -0.172 0.000 0.888 722 L HN 0.047 nan 8.230 nan 0.000 0.432 723 K N -0.671 119.582 120.400 -0.244 0.000 2.089 723 K HA -0.165 4.128 4.320 -0.044 0.000 0.210 723 K C 1.745 178.154 176.600 -0.319 0.000 1.048 723 K CA 2.034 58.160 56.287 -0.268 0.000 0.926 723 K CB -0.847 31.480 32.500 -0.288 0.000 0.714 723 K HN 0.467 nan 8.250 nan 0.000 0.448 724 T N 2.488 116.782 114.554 -0.433 0.000 3.160 724 T HA -0.037 4.286 4.350 -0.044 0.000 0.210 724 T C 0.908 175.482 174.700 -0.210 0.000 0.940 724 T CA 0.132 62.026 62.100 -0.344 0.000 1.985 724 T CB -0.256 68.343 68.868 -0.448 0.000 1.524 724 T HN 0.273 nan 8.240 nan 0.000 0.428 725 R N 2.383 122.787 120.500 -0.160 0.000 2.298 725 R HA 0.522 4.835 4.340 -0.044 0.000 0.310 725 R C 0.473 176.703 176.300 -0.117 0.000 1.068 725 R CA -0.474 55.561 56.100 -0.109 0.000 0.957 725 R CB -0.010 30.251 30.300 -0.066 0.000 1.003 725 R HN 0.491 nan 8.270 nan 0.000 0.454 726 G N 3.169 111.903 108.800 -0.110 0.000 2.690 726 G HA2 0.109 4.042 3.960 -0.044 0.000 0.239 726 G HA3 0.109 4.042 3.960 -0.044 0.000 0.239 726 G C -1.942 172.900 174.900 -0.097 0.000 1.233 726 G CA -1.101 43.931 45.100 -0.113 0.000 0.847 726 G HN 0.461 nan 8.290 nan 0.000 0.588 727 P HA 0.066 nan 4.420 nan 0.000 0.245 727 P C 1.208 178.435 177.300 -0.122 0.000 1.347 727 P CA 0.554 63.583 63.100 -0.118 0.000 1.314 727 P CB 0.179 31.794 31.700 -0.142 0.000 1.679 728 G N 3.345 112.090 108.800 -0.092 0.000 2.459 728 G HA2 -0.188 3.746 3.960 -0.044 0.000 0.217 728 G HA3 -0.188 3.746 3.960 -0.044 0.000 0.217 728 G C 0.504 175.347 174.900 -0.095 0.000 1.183 728 G CA 0.043 45.094 45.100 -0.080 0.000 0.776 728 G HN 0.483 nan 8.290 nan 0.000 0.552 735 Q N 2.261 122.065 119.800 0.008 0.000 2.584 735 Q HA -0.191 4.122 4.340 -0.044 0.000 0.235 735 Q C -1.467 174.617 176.000 0.140 0.000 1.360 735 Q CA 0.306 56.136 55.803 0.046 0.000 0.626 735 Q CB -0.415 28.350 28.738 0.046 0.000 0.753 735 Q HN 0.725 nan 8.270 nan 0.000 0.316 736 H N 2.359 121.465 119.070 0.060 0.000 3.091 736 H HA 0.113 4.642 4.556 -0.044 0.000 0.289 736 H C 1.444 176.809 175.328 0.062 0.000 0.995 736 H CA 0.447 56.550 56.048 0.091 0.000 1.461 736 H CB 0.858 30.694 29.762 0.123 0.000 1.510 736 H HN 0.767 nan 8.280 nan 0.000 0.546 737 G N 3.612 112.498 108.800 0.144 0.000 2.443 737 G HA2 -0.146 3.787 3.960 -0.044 0.000 0.219 737 G HA3 -0.146 3.787 3.960 -0.044 0.000 0.219 737 G C 1.009 175.871 174.900 -0.064 0.000 1.131 737 G CA 0.427 45.568 45.100 0.069 0.000 0.775 737 G HN 0.598 nan 8.290 nan 0.000 0.547 738 L N 0.101 121.228 121.223 -0.160 0.000 3.689 738 L HA 0.243 4.557 4.340 -0.044 0.000 0.344 738 L C -0.287 176.468 176.870 -0.193 0.000 1.221 738 L CA 0.000 54.717 54.840 -0.205 0.000 1.171 738 L CB 1.101 43.022 42.059 -0.231 0.000 1.540 738 L HN 0.073 nan 8.230 nan 0.000 0.631 739 S N 0.114 115.686 115.700 -0.213 0.000 2.622 739 S HA 0.547 4.990 4.470 -0.044 0.000 0.283 739 S C 0.329 175.001 174.600 0.120 0.000 1.197 739 S CA -0.448 57.723 58.200 -0.048 0.000 1.146 739 S CB 1.185 64.343 63.200 -0.071 0.000 1.007 739 S HN 0.174 nan 8.310 nan 0.000 0.478 740 G N 2.323 111.157 108.800 0.057 0.000 3.161 740 G HA2 0.456 4.389 3.960 -0.044 0.000 0.293 740 G HA3 0.456 4.389 3.960 -0.044 0.000 0.293 740 G C -0.050 174.944 174.900 0.156 0.000 0.893 740 G CA -0.703 44.400 45.100 0.005 0.000 1.756 740 G HN 0.579 nan 8.290 nan 0.000 0.549 741 F N 0.850 120.778 119.950 -0.037 0.000 2.106 741 F HA -0.215 4.285 4.527 -0.045 0.000 0.133 741 F C 1.199 176.980 175.800 -0.032 0.000 1.007 741 F CA 0.443 58.423 58.000 -0.034 0.000 0.706 741 F CB -1.216 37.770 39.000 -0.024 0.000 0.684 741 F HN 0.582 nan 8.300 nan 0.000 0.778 742 K N 0.030 120.505 120.400 0.125 0.000 2.267 742 K HA 0.839 5.132 4.320 -0.044 0.000 0.246 742 K C -0.258 176.293 176.600 -0.081 0.000 0.954 742 K CA -0.938 55.361 56.287 0.020 0.000 0.824 742 K CB 2.880 35.387 32.500 0.012 0.000 1.167 742 K HN 0.039 nan 8.250 nan 0.000 0.431 743 V N 0.583 120.460 119.914 -0.062 0.000 3.480 743 V HA 0.028 4.121 4.120 -0.044 0.000 0.263 743 V C 1.800 177.949 176.094 0.091 0.000 1.442 743 V CA 0.858 63.086 62.300 -0.120 0.000 1.053 743 V CB 0.542 32.305 31.823 -0.100 0.000 0.846 743 V HN 0.959 nan 8.190 nan 0.000 0.440 744 A N 0.458 123.379 122.820 0.169 0.000 2.171 744 A HA -0.323 3.971 4.320 -0.044 0.000 0.223 744 A C 1.716 179.403 177.584 0.171 0.000 1.166 744 A CA 2.450 54.616 52.037 0.216 0.000 0.668 744 A CB -0.430 18.613 19.000 0.072 0.000 0.807 744 A HN 0.553 nan 8.150 nan 0.000 0.475 745 D N -0.958 119.475 120.400 0.054 0.000 2.120 745 D HA -0.033 4.581 4.640 -0.044 0.000 0.202 745 D C 1.620 177.885 176.300 -0.057 0.000 0.972 745 D CA 0.579 54.604 54.000 0.042 0.000 0.837 745 D CB -0.291 40.508 40.800 -0.002 0.000 0.989 745 D HN 0.276 nan 8.370 nan 0.000 0.469 746 L N 0.446 121.508 121.223 -0.269 0.000 2.450 746 L HA -0.114 4.199 4.340 -0.044 0.000 0.224 746 L C 1.319 177.866 176.870 -0.539 0.000 1.149 746 L CA 1.339 55.894 54.840 -0.476 0.000 0.816 746 L CB -0.827 40.817 42.059 -0.691 0.000 0.932 746 L HN 0.147 nan 8.230 nan 0.000 0.449 747 Y N -2.733 117.520 120.300 -0.077 0.000 2.396 747 Y HA 0.080 4.603 4.550 -0.045 0.000 0.292 747 Y C 2.467 178.372 175.900 0.008 0.000 1.128 747 Y CA -0.177 57.896 58.100 -0.045 0.000 1.194 747 Y CB -0.502 37.929 38.460 -0.047 0.000 1.124 747 Y HN -0.128 nan 8.280 nan 0.000 0.543 748 R N 1.640 122.257 120.500 0.194 0.000 2.204 748 R HA -0.177 4.136 4.340 -0.044 0.000 0.253 748 R C 0.945 177.381 176.300 0.228 0.000 1.172 748 R CA 1.622 57.839 56.100 0.195 0.000 0.994 748 R CB -0.882 29.549 30.300 0.218 0.000 0.874 748 R HN 0.466 nan 8.270 nan 0.000 0.462 749 D N 0.131 120.608 120.400 0.128 0.000 2.096 749 D HA -0.182 4.432 4.640 -0.044 0.000 0.200 749 D C 2.036 178.382 176.300 0.076 0.000 0.980 749 D CA 0.610 54.649 54.000 0.065 0.000 0.860 749 D CB -0.529 40.217 40.800 -0.091 0.000 1.005 749 D HN 0.010 nan 8.370 nan 0.000 0.449 750 L N 1.360 122.591 121.223 0.013 0.000 2.040 750 L HA -0.269 4.045 4.340 -0.044 0.000 0.228 750 L C 2.268 179.181 176.870 0.072 0.000 1.092 750 L CA 1.916 56.767 54.840 0.019 0.000 0.805 750 L CB -1.128 40.946 42.059 0.025 0.000 0.905 750 L HN 0.160 nan 8.230 nan 0.000 0.443 751 K N -0.210 120.249 120.400 0.100 0.000 2.026 751 K HA -0.133 4.160 4.320 -0.044 0.000 0.208 751 K C 1.993 178.674 176.600 0.135 0.000 1.048 751 K CA 1.433 57.783 56.287 0.105 0.000 0.929 751 K CB -0.643 31.915 32.500 0.097 0.000 0.713 751 K HN 0.392 nan 8.250 nan 0.000 0.439 752 L N 0.470 121.801 121.223 0.179 0.000 2.509 752 L HA 0.108 4.421 4.340 -0.044 0.000 0.222 752 L C 1.692 178.734 176.870 0.287 0.000 1.123 752 L CA 0.470 55.446 54.840 0.226 0.000 0.856 752 L CB -0.402 41.819 42.059 0.270 0.000 0.985 752 L HN -0.064 nan 8.230 nan 0.000 0.456 753 L N -0.182 121.179 121.223 0.231 0.000 2.737 753 L HA 0.193 4.507 4.340 -0.044 0.000 0.236 753 L C 1.480 178.402 176.870 0.086 0.000 1.219 753 L CA 0.091 55.054 54.840 0.205 0.000 1.021 753 L CB -0.302 41.831 42.059 0.123 0.000 1.291 753 L HN 0.334 nan 8.230 nan 0.000 0.470 754 E N -0.274 120.009 120.200 0.139 0.000 2.065 754 E HA -0.013 4.310 4.350 -0.044 0.000 0.191 754 E C 0.069 176.720 176.600 0.085 0.000 0.960 754 E CA 0.952 57.416 56.400 0.107 0.000 0.824 754 E CB 0.368 30.173 29.700 0.174 0.000 0.793 754 E HN 0.332 nan 8.360 nan 0.000 0.459 755 W N 0.000 121.351 121.300 0.086 0.000 2.388 755 W HA 0.000 4.634 4.660 -0.044 0.000 0.303 755 W CA 0.000 57.398 57.345 0.088 0.000 1.226 755 W CB 0.000 29.503 29.460 0.072 0.000 1.126 755 W HN 0.000 nan 8.180 nan 0.000 0.535