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 3ksq_1_B DATA FIRST_RESID 21 DATA SEQUENCE EPLYSLRPEH ARERLQDDSV ETVTSIEQAK VEEKIQEVFS SYKFNHLVPR DATA SEQUENCE LVLQREKHFH YLKRGLRQLT DAYECLDASR PWLCYWILHS LELLDEPIPQ DATA SEQUENCE IVATDVCQFL ELCQSPDGGF GGGPGQYPHL APTYAAVNAL CIIGTEEAYN DATA SEQUENCE VINREKLLQY LYSLKQPDGS FLMHVGGEVD VRSAYCAASV ASLTNIITPD DATA SEQUENCE LFEGTAEWIA RCQNWEGGIG GVPGMEAHGG YTFCGLAALV ILKKERSLNL DATA SEQUENCE KSLLQWVTSR QMRFEGGFQG RCNKLVDGCY SFWQAGLLPL LHRALHAQGD DATA SEQUENCE PALSMSHWMF HQQALQEYIL MCCQCPAGGL LDKPGKSRDF YHTCYCLSGL DATA SEQUENCE SIAQHFGSGA MLHDVVMGVP ENVLQPTHPV YNIGPDKVIQ ATTHFLQKPV DATA SEQUENCE PGF 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 21 E HA 0.000 nan 4.350 nan 0.000 0.291 21 E C 0.000 176.554 176.600 -0.076 0.000 1.382 21 E CA 0.000 56.353 56.400 -0.079 0.000 0.976 21 E CB 0.000 29.651 29.700 -0.081 0.000 0.812 22 P HA 0.098 nan 4.420 nan 0.000 0.226 22 P C -0.071 177.190 177.300 -0.066 0.000 1.153 22 P CA 0.822 63.887 63.100 -0.058 0.000 0.777 22 P CB 0.255 31.920 31.700 -0.059 0.000 0.794 23 L N -0.380 120.774 121.223 -0.115 0.000 2.264 23 L HA 0.243 4.583 4.340 0.000 0.000 0.289 23 L C 1.818 178.586 176.870 -0.171 0.000 1.044 23 L CA -0.935 53.819 54.840 -0.142 0.000 0.807 23 L CB 0.686 42.613 42.059 -0.220 0.000 1.192 23 L HN -0.202 nan 8.230 nan 0.000 0.425 24 Y N 2.764 122.912 120.300 -0.253 0.000 2.102 24 Y HA -0.338 4.212 4.550 0.000 0.000 0.280 24 Y C 2.346 177.913 175.900 -0.554 0.000 1.178 24 Y CA 2.255 60.181 58.100 -0.290 0.000 1.146 24 Y CB 0.233 38.545 38.460 -0.246 0.000 0.968 24 Y HN 0.672 nan 8.280 nan 0.000 0.504 25 S N -0.266 114.984 115.700 -0.750 0.000 2.474 25 S HA -0.070 4.400 4.470 0.000 0.000 0.235 25 S C 1.316 175.189 174.600 -1.212 0.000 0.997 25 S CA 1.027 58.308 58.200 -1.532 0.000 0.949 25 S CB -0.177 61.972 63.200 -1.751 0.000 0.766 25 S HN 0.292 nan 8.310 nan 0.000 0.517 26 L N 0.759 121.577 121.223 -0.676 0.000 2.640 26 L HA 0.301 4.641 4.340 0.000 0.000 0.230 26 L C 0.772 177.497 176.870 -0.241 0.000 1.123 26 L CA 0.312 54.924 54.840 -0.381 0.000 0.900 26 L CB -0.252 41.636 42.059 -0.285 0.000 1.146 26 L HN -0.001 nan 8.230 nan 0.000 0.484 27 R N 0.462 120.799 120.500 -0.272 0.000 2.643 27 R HA 0.064 4.404 4.340 0.000 0.000 0.270 27 R C -1.203 175.048 176.300 -0.082 0.000 1.061 27 R CA -1.157 54.845 56.100 -0.164 0.000 1.107 27 R CB 0.179 30.362 30.300 -0.194 0.000 0.999 27 R HN -0.102 nan 8.270 nan 0.000 0.460 28 P HA -0.218 nan 4.420 nan 0.000 0.216 28 P C 0.681 177.984 177.300 0.005 0.000 1.150 28 P CA 1.155 64.252 63.100 -0.005 0.000 0.837 28 P CB 0.141 31.839 31.700 -0.003 0.000 0.786 29 E N -0.642 119.547 120.200 -0.019 0.000 2.265 29 E HA -0.252 4.098 4.350 0.000 0.000 0.196 29 E C 1.682 178.267 176.600 -0.025 0.000 0.996 29 E CA 1.241 57.627 56.400 -0.023 0.000 0.832 29 E CB -1.327 28.352 29.700 -0.034 0.000 0.756 29 E HN 0.382 nan 8.360 nan 0.000 0.491 30 H N 1.400 120.386 119.070 -0.140 0.000 2.456 30 H HA 0.061 4.617 4.556 0.000 0.000 0.296 30 H C 2.015 177.392 175.328 0.082 0.000 1.079 30 H CA 1.737 57.702 56.048 -0.139 0.000 1.322 30 H CB -0.095 29.488 29.762 -0.298 0.000 1.388 30 H HN 0.298 nan 8.280 nan 0.000 0.538 31 A N 0.398 123.281 122.820 0.105 0.000 2.024 31 A HA -0.186 4.135 4.320 0.000 0.000 0.220 31 A C 2.321 179.909 177.584 0.006 0.000 1.164 31 A CA 1.587 53.684 52.037 0.101 0.000 0.643 31 A CB -0.353 18.694 19.000 0.077 0.000 0.806 31 A HN 0.413 nan 8.150 nan 0.000 0.451 32 R N -0.067 120.419 120.500 -0.023 0.000 2.237 32 R HA -0.038 4.302 4.340 0.000 0.000 0.219 32 R C 1.321 177.587 176.300 -0.057 0.000 1.080 32 R CA 1.069 57.146 56.100 -0.039 0.000 0.995 32 R CB -0.038 30.243 30.300 -0.032 0.000 0.875 32 R HN 0.472 nan 8.270 nan 0.000 0.462 33 E N 0.466 120.617 120.200 -0.081 0.000 2.482 33 E HA -0.020 4.330 4.350 0.000 0.000 0.196 33 E C 0.152 176.734 176.600 -0.029 0.000 1.047 33 E CA 0.281 56.645 56.400 -0.061 0.000 0.869 33 E CB 0.114 29.704 29.700 -0.183 0.000 0.836 33 E HN 0.128 nan 8.360 nan 0.000 0.520 34 R N 0.980 121.393 120.500 -0.146 0.000 2.734 34 R HA 0.042 4.382 4.340 0.000 0.000 0.266 34 R C 0.542 176.734 176.300 -0.181 0.000 1.044 34 R CA -0.541 55.361 56.100 -0.330 0.000 1.128 34 R CB 0.079 30.161 30.300 -0.362 0.000 1.010 34 R HN 0.058 nan 8.270 nan 0.000 0.461 35 L N 2.166 123.279 121.223 -0.184 0.000 2.578 35 L HA -0.096 4.244 4.340 0.000 0.000 0.279 35 L C -0.040 176.781 176.870 -0.081 0.000 1.227 35 L CA 1.192 55.969 54.840 -0.106 0.000 0.900 35 L CB 0.185 42.186 42.059 -0.096 0.000 1.144 35 L HN 0.412 nan 8.230 nan 0.000 0.496 36 Q N 3.637 123.405 119.800 -0.054 0.000 2.462 36 Q HA 0.143 4.483 4.340 0.000 0.000 0.247 36 Q C 0.026 176.007 176.000 -0.031 0.000 1.044 36 Q CA -0.308 55.471 55.803 -0.040 0.000 0.803 36 Q CB 0.825 29.544 28.738 -0.031 0.000 1.190 36 Q HN 0.748 nan 8.270 nan 0.000 0.507 37 D N 2.149 122.530 120.400 -0.031 0.000 2.349 37 D HA -0.121 4.519 4.640 0.000 0.000 0.224 37 D C -0.377 175.913 176.300 -0.016 0.000 1.029 37 D CA 0.164 54.150 54.000 -0.023 0.000 0.879 37 D CB 0.278 41.063 40.800 -0.025 0.000 0.906 37 D HN 0.455 nan 8.370 nan 0.000 0.528 38 D N -0.036 120.354 120.400 -0.015 0.000 2.882 38 D HA -0.230 4.410 4.640 0.000 0.000 0.229 38 D C -0.092 176.202 176.300 -0.009 0.000 1.167 38 D CA 1.103 55.097 54.000 -0.011 0.000 0.759 38 D CB -1.822 38.974 40.800 -0.007 0.000 1.088 38 D HN 0.293 nan 8.370 nan 0.000 0.425 39 S N -3.020 112.673 115.700 -0.012 0.000 3.358 39 S HA -0.237 4.233 4.470 0.000 0.000 0.309 39 S C 0.354 174.949 174.600 -0.008 0.000 1.247 39 S CA 0.969 59.163 58.200 -0.010 0.000 0.961 39 S CB -0.927 62.267 63.200 -0.009 0.000 1.074 39 S HN 0.388 nan 8.310 nan 0.000 0.625 40 V N 2.039 121.948 119.914 -0.007 0.000 2.293 40 V HA 0.295 4.415 4.120 0.000 0.000 0.275 40 V C 0.378 176.469 176.094 -0.005 0.000 1.021 40 V CA -0.450 61.847 62.300 -0.005 0.000 0.815 40 V CB 1.330 33.151 31.823 -0.002 0.000 1.025 40 V HN 0.298 nan 8.190 nan 0.000 0.448 41 E N 3.248 123.445 120.200 -0.005 0.000 2.227 41 E HA 0.598 4.948 4.350 0.000 0.000 0.282 41 E C 0.046 176.646 176.600 -0.001 0.000 1.015 41 E CA -0.198 56.199 56.400 -0.005 0.000 0.823 41 E CB 1.997 31.693 29.700 -0.007 0.000 1.081 41 E HN 0.812 nan 8.360 nan 0.000 0.396 42 T N -2.096 112.458 114.554 -0.000 0.000 2.841 42 T HA 0.197 4.547 4.350 0.000 0.000 0.296 42 T C 1.034 175.737 174.700 0.005 0.000 1.166 42 T CA -0.798 61.305 62.100 0.004 0.000 1.007 42 T CB 0.939 69.811 68.868 0.008 0.000 1.253 42 T HN 0.091 nan 8.240 nan 0.000 0.511 43 V N 1.276 121.195 119.914 0.009 0.000 2.317 43 V HA -0.223 3.897 4.120 0.000 0.000 0.251 43 V C 2.920 179.020 176.094 0.010 0.000 1.065 43 V CA 2.890 65.197 62.300 0.010 0.000 1.049 43 V CB -1.477 30.355 31.823 0.015 0.000 0.651 43 V HN 1.112 nan 8.190 nan 0.000 0.450 44 T N 0.489 115.050 114.554 0.012 0.000 2.622 44 T HA -0.231 4.119 4.350 0.000 0.000 0.266 44 T C 2.110 176.812 174.700 0.003 0.000 1.047 44 T CA 2.232 64.339 62.100 0.011 0.000 1.159 44 T CB -0.494 68.384 68.868 0.016 0.000 0.863 44 T HN 0.758 nan 8.240 nan 0.000 0.422 45 S N 1.440 117.139 115.700 -0.002 0.000 2.368 45 S HA -0.051 4.419 4.470 0.000 0.000 0.225 45 S C 2.120 176.711 174.600 -0.015 0.000 1.030 45 S CA 0.924 59.117 58.200 -0.011 0.000 0.999 45 S CB -0.858 62.334 63.200 -0.013 0.000 0.844 45 S HN 0.479 nan 8.310 nan 0.000 0.459 46 I N 1.951 122.516 120.570 -0.010 0.000 2.179 46 I HA -0.145 4.025 4.170 0.000 0.000 0.242 46 I C 2.898 179.010 176.117 -0.009 0.000 1.088 46 I CA 1.548 62.842 61.300 -0.010 0.000 1.357 46 I CB -0.361 37.636 38.000 -0.005 0.000 1.051 46 I HN 0.242 nan 8.210 nan 0.000 0.409 47 E N 0.235 120.434 120.200 -0.002 0.000 2.106 47 E HA -0.263 4.087 4.350 0.000 0.000 0.192 47 E C 2.027 178.627 176.600 -0.000 0.000 0.984 47 E CA 1.098 57.500 56.400 0.003 0.000 0.806 47 E CB -0.334 29.373 29.700 0.012 0.000 0.750 47 E HN 0.424 nan 8.360 nan 0.000 0.458 48 Q N 0.944 120.740 119.800 -0.006 0.000 2.046 48 Q HA -0.032 4.308 4.340 0.000 0.000 0.200 48 Q C 1.993 177.975 176.000 -0.030 0.000 0.975 48 Q CA 1.973 57.768 55.803 -0.013 0.000 0.836 48 Q CB -0.490 28.238 28.738 -0.018 0.000 0.896 48 Q HN 0.192 nan 8.270 nan 0.000 0.428 49 A N 0.537 123.332 122.820 -0.041 0.000 1.908 49 A HA -0.230 4.090 4.320 0.000 0.000 0.218 49 A C 2.013 179.567 177.584 -0.051 0.000 1.181 49 A CA 1.825 53.824 52.037 -0.063 0.000 0.627 49 A CB -0.495 18.473 19.000 -0.054 0.000 0.818 49 A HN 0.423 nan 8.150 nan 0.000 0.445 50 K N -0.572 119.812 120.400 -0.027 0.000 2.026 50 K HA -0.084 4.236 4.320 0.000 0.000 0.208 50 K C 1.884 178.478 176.600 -0.009 0.000 1.048 50 K CA 1.485 57.763 56.287 -0.016 0.000 0.929 50 K CB -0.394 32.102 32.500 -0.007 0.000 0.713 50 K HN 0.298 nan 8.250 nan 0.000 0.439 51 V N 1.773 121.688 119.914 0.001 0.000 2.343 51 V HA -0.238 3.882 4.120 0.000 0.000 0.247 51 V C 2.035 178.149 176.094 0.033 0.000 1.051 51 V CA 1.756 64.069 62.300 0.022 0.000 1.036 51 V CB -0.394 31.451 31.823 0.035 0.000 0.654 51 V HN 0.334 nan 8.190 nan 0.000 0.451 52 E N -0.344 119.858 120.200 0.004 0.000 2.077 52 E HA -0.277 4.073 4.350 0.000 0.000 0.193 52 E C 2.263 178.839 176.600 -0.040 0.000 0.989 52 E CA 1.388 57.768 56.400 -0.033 0.000 0.800 52 E CB -0.098 29.445 29.700 -0.262 0.000 0.746 52 E HN 0.511 nan 8.360 nan 0.000 0.452 53 E N 1.331 121.499 120.200 -0.054 0.000 2.077 53 E HA -0.195 4.155 4.350 0.000 0.000 0.193 53 E C 1.831 178.438 176.600 0.011 0.000 0.989 53 E CA 1.326 57.712 56.400 -0.023 0.000 0.800 53 E CB -0.012 29.674 29.700 -0.023 0.000 0.746 53 E HN 0.036 nan 8.360 nan 0.000 0.452 54 K N -0.293 120.109 120.400 0.003 0.000 2.057 54 K HA -0.097 4.223 4.320 0.000 0.000 0.207 54 K C 1.873 178.447 176.600 -0.043 0.000 1.049 54 K CA 1.316 57.597 56.287 -0.010 0.000 0.931 54 K CB -0.078 32.417 32.500 -0.009 0.000 0.714 54 K HN 0.124 nan 8.250 nan 0.000 0.440 55 I N 1.161 121.705 120.570 -0.043 0.000 2.252 55 I HA -0.198 3.972 4.170 0.000 0.000 0.245 55 I C 2.417 178.338 176.117 -0.327 0.000 1.102 55 I CA 1.264 62.422 61.300 -0.238 0.000 1.385 55 I CB -1.178 36.736 38.000 -0.144 0.000 1.064 55 I HN 0.313 nan 8.210 nan 0.000 0.414 56 Q N 1.508 121.357 119.800 0.083 0.000 2.135 56 Q HA -0.212 4.128 4.340 0.000 0.000 0.204 56 Q C 2.025 178.080 176.000 0.092 0.000 0.981 56 Q CA 1.754 57.710 55.803 0.255 0.000 0.856 56 Q CB -0.140 28.769 28.738 0.285 0.000 0.902 56 Q HN 0.502 nan 8.270 nan 0.000 0.425 57 E N -1.131 119.087 120.200 0.030 0.000 2.077 57 E HA -0.140 4.210 4.350 0.000 0.000 0.193 57 E C 1.956 178.522 176.600 -0.057 0.000 0.989 57 E CA 1.336 57.748 56.400 0.019 0.000 0.800 57 E CB 0.027 29.748 29.700 0.036 0.000 0.746 57 E HN 0.194 nan 8.360 nan 0.000 0.452 58 V N 0.807 120.661 119.914 -0.101 0.000 2.307 58 V HA -0.237 3.883 4.120 0.000 0.000 0.245 58 V C 1.974 178.074 176.094 0.009 0.000 1.045 58 V CA 1.676 63.907 62.300 -0.114 0.000 1.024 58 V CB -0.542 31.183 31.823 -0.163 0.000 0.651 58 V HN 0.288 nan 8.190 nan 0.000 0.449 59 F N 0.113 120.049 119.950 -0.023 0.000 2.134 59 F HA -0.178 4.349 4.527 0.000 0.000 0.299 59 F C 2.650 178.416 175.800 -0.056 0.000 1.097 59 F CA 1.205 59.203 58.000 -0.003 0.000 1.264 59 F CB -0.244 38.739 39.000 -0.029 0.000 1.001 59 F HN 0.115 nan 8.300 nan 0.000 0.479 60 S N -0.245 115.432 115.700 -0.038 0.000 2.461 60 S HA -0.144 4.326 4.470 0.000 0.000 0.228 60 S C 2.114 176.336 174.600 -0.629 0.000 1.005 60 S CA 0.929 58.851 58.200 -0.464 0.000 0.942 60 S CB -0.362 62.316 63.200 -0.868 0.000 0.776 60 S HN 0.465 nan 8.310 nan 0.000 0.514 61 S N 1.314 116.774 115.700 -0.401 0.000 2.380 61 S HA -0.270 4.200 4.470 0.000 0.000 0.229 61 S C 1.581 175.966 174.600 -0.358 0.000 1.043 61 S CA 1.486 59.467 58.200 -0.365 0.000 1.038 61 S CB -0.989 61.970 63.200 -0.402 0.000 0.872 61 S HN 0.617 nan 8.310 nan 0.000 0.456 62 Y N 2.124 122.346 120.300 -0.129 0.000 2.114 62 Y HA -0.043 4.507 4.550 0.000 0.000 0.284 62 Y C 2.807 178.634 175.900 -0.122 0.000 1.143 62 Y CA 1.587 59.630 58.100 -0.094 0.000 1.135 62 Y CB -0.454 37.961 38.460 -0.076 0.000 0.980 62 Y HN 0.246 nan 8.280 nan 0.000 0.499 63 K N -0.098 120.284 120.400 -0.030 0.000 2.063 63 K HA -0.182 4.138 4.320 0.000 0.000 0.208 63 K C 1.724 178.255 176.600 -0.115 0.000 1.048 63 K CA 1.758 58.003 56.287 -0.071 0.000 0.928 63 K CB -0.327 32.104 32.500 -0.116 0.000 0.713 63 K HN 0.184 nan 8.250 nan 0.000 0.442 64 F N 1.190 121.008 119.950 -0.219 0.000 2.259 64 F HA -0.038 4.489 4.527 0.000 0.000 0.298 64 F C 1.506 177.030 175.800 -0.459 0.000 1.088 64 F CA 1.006 58.824 58.000 -0.303 0.000 1.358 64 F CB -0.830 38.085 39.000 -0.141 0.000 1.040 64 F HN 0.175 nan 8.300 nan 0.000 0.505 65 N N -1.731 116.880 118.700 -0.149 0.000 2.336 65 N HA -0.006 4.734 4.740 0.000 0.000 0.189 65 N C -0.684 174.814 175.510 -0.020 0.000 1.113 65 N CA 0.109 53.111 53.050 -0.080 0.000 0.858 65 N CB -0.357 38.116 38.487 -0.023 0.000 0.970 65 N HN 0.255 nan 8.380 nan 0.000 0.471 66 H N -0.398 118.733 119.070 0.102 0.000 2.748 66 H HA -0.126 4.430 4.556 0.000 0.000 0.322 66 H C -1.036 174.337 175.328 0.075 0.000 1.208 66 H CA 0.296 56.395 56.048 0.084 0.000 1.151 66 H CB -1.950 27.852 29.762 0.067 0.000 1.505 66 H HN 0.224 nan 8.280 nan 0.000 0.429 67 L N -0.465 120.846 121.223 0.145 0.000 2.354 67 L HA 0.585 4.925 4.340 0.000 0.000 0.264 67 L C 0.201 177.150 176.870 0.130 0.000 1.008 67 L CA -1.541 53.381 54.840 0.137 0.000 0.819 67 L CB 2.053 44.199 42.059 0.144 0.000 1.339 67 L HN -0.046 nan 8.230 nan 0.000 0.420 68 V N 2.235 122.196 119.914 0.078 0.000 2.508 68 V HA 0.158 4.278 4.120 0.000 0.000 0.281 68 V C -1.925 174.144 176.094 -0.042 0.000 1.041 68 V CA -1.236 61.071 62.300 0.011 0.000 1.016 68 V CB 0.647 32.467 31.823 -0.006 0.000 0.984 68 V HN 0.602 nan 8.190 nan 0.000 0.478 69 P HA 0.202 nan 4.420 nan 0.000 0.264 69 P C -0.456 176.645 177.300 -0.331 0.000 1.193 69 P CA 0.060 62.757 63.100 -0.673 0.000 0.763 69 P CB 0.316 31.482 31.700 -0.890 0.000 0.810 70 R N 3.055 123.425 120.500 -0.217 0.000 2.500 70 R HA 0.357 4.697 4.340 0.000 0.000 0.299 70 R C -1.377 174.898 176.300 -0.043 0.000 1.038 70 R CA -0.816 55.234 56.100 -0.082 0.000 0.903 70 R CB 0.579 30.873 30.300 -0.009 0.000 1.177 70 R HN 0.277 nan 8.270 nan 0.000 0.455 71 L N 5.150 126.337 121.223 -0.060 0.000 2.282 71 L HA 0.339 4.679 4.340 0.000 0.000 0.287 71 L C -0.742 176.127 176.870 -0.001 0.000 1.075 71 L CA -0.138 54.690 54.840 -0.021 0.000 0.839 71 L CB 1.507 43.543 42.059 -0.038 0.000 1.219 71 L HN 0.291 nan 8.230 nan 0.000 0.434 72 V N 4.571 124.496 119.914 0.019 0.000 2.444 72 V HA 0.353 4.473 4.120 0.000 0.000 0.294 72 V C -0.198 175.914 176.094 0.030 0.000 1.022 72 V CA -0.878 61.432 62.300 0.016 0.000 0.850 72 V CB 2.009 33.836 31.823 0.008 0.000 0.992 72 V HN 0.419 nan 8.190 nan 0.000 0.426 73 L N 5.241 126.488 121.223 0.041 0.000 2.369 73 L HA 0.353 4.693 4.340 0.000 0.000 0.279 73 L C 0.797 177.685 176.870 0.030 0.000 1.108 73 L CA 0.449 55.340 54.840 0.084 0.000 0.852 73 L CB 0.869 42.988 42.059 0.100 0.000 1.169 73 L HN 0.602 nan 8.230 nan 0.000 0.452 74 Q N 5.581 125.343 119.800 -0.063 0.000 3.223 74 Q HA 0.052 4.392 4.340 0.000 0.000 0.299 74 Q C 1.119 176.888 176.000 -0.386 0.000 1.385 74 Q CA 0.178 55.814 55.803 -0.280 0.000 0.942 74 Q CB -0.291 28.220 28.738 -0.379 0.000 1.748 74 Q HN 0.702 nan 8.270 nan 0.000 0.523 75 R N 0.459 120.915 120.500 -0.073 0.000 2.113 75 R HA -0.204 4.136 4.340 0.000 0.000 0.244 75 R C 1.360 177.704 176.300 0.073 0.000 1.142 75 R CA 1.371 57.502 56.100 0.053 0.000 0.953 75 R CB 0.085 30.411 30.300 0.043 0.000 0.860 75 R HN 0.336 nan 8.270 nan 0.000 0.438 76 E N 0.835 121.049 120.200 0.024 0.000 2.106 76 E HA -0.106 4.244 4.350 0.000 0.000 0.192 76 E C 1.858 178.544 176.600 0.142 0.000 0.984 76 E CA 0.889 57.351 56.400 0.104 0.000 0.806 76 E CB -0.134 29.595 29.700 0.049 0.000 0.750 76 E HN 0.233 nan 8.360 nan 0.000 0.458 77 K N 0.467 120.859 120.400 -0.013 0.000 2.025 77 K HA -0.103 4.217 4.320 0.000 0.000 0.207 77 K C 2.045 178.716 176.600 0.119 0.000 1.049 77 K CA 0.978 57.259 56.287 -0.010 0.000 0.933 77 K CB -0.419 31.981 32.500 -0.166 0.000 0.714 77 K HN 0.302 nan 8.250 nan 0.000 0.438 78 H N -0.245 118.924 119.070 0.165 0.000 2.353 78 H HA -0.122 4.434 4.556 0.000 0.000 0.300 78 H C 2.007 177.490 175.328 0.258 0.000 1.090 78 H CA 1.135 57.301 56.048 0.197 0.000 1.327 78 H CB -0.762 29.081 29.762 0.136 0.000 1.383 78 H HN 0.166 nan 8.280 nan 0.000 0.508 79 F N 1.645 121.727 119.950 0.221 0.000 2.134 79 F HA -0.233 4.294 4.527 0.000 0.000 0.299 79 F C 2.878 178.769 175.800 0.152 0.000 1.097 79 F CA 1.827 59.916 58.000 0.149 0.000 1.264 79 F CB -0.444 38.613 39.000 0.095 0.000 1.001 79 F HN 0.238 nan 8.300 nan 0.000 0.479 80 H N -1.085 117.990 119.070 0.007 0.000 2.321 80 H HA -0.272 4.284 4.556 0.000 0.000 0.300 80 H C 2.237 177.549 175.328 -0.027 0.000 1.087 80 H CA 2.261 58.261 56.048 -0.080 0.000 1.319 80 H CB -1.098 28.698 29.762 0.057 0.000 1.379 80 H HN 0.435 nan 8.280 nan 0.000 0.501 81 Y N 1.435 121.694 120.300 -0.069 0.000 2.114 81 Y HA -0.228 4.322 4.550 0.000 0.000 0.282 81 Y C 2.623 178.543 175.900 0.034 0.000 1.165 81 Y CA 1.828 59.916 58.100 -0.021 0.000 1.148 81 Y CB -0.684 37.828 38.460 0.087 0.000 0.972 81 Y HN 0.158 nan 8.280 nan 0.000 0.504 82 L N 0.179 121.377 121.223 -0.041 0.000 2.044 82 L HA -0.205 4.135 4.340 0.000 0.000 0.205 82 L C 2.523 179.197 176.870 -0.327 0.000 1.075 82 L CA 1.924 56.680 54.840 -0.140 0.000 0.747 82 L CB -0.702 41.343 42.059 -0.022 0.000 0.903 82 L HN 0.171 nan 8.230 nan 0.000 0.435 83 K N 0.318 120.417 120.400 -0.502 0.000 2.103 83 K HA -0.238 4.082 4.320 0.000 0.000 0.207 83 K C 2.080 178.447 176.600 -0.387 0.000 1.048 83 K CA 1.520 57.498 56.287 -0.514 0.000 0.930 83 K CB -0.378 31.643 32.500 -0.797 0.000 0.716 83 K HN 0.012 nan 8.250 nan 0.000 0.444 84 R N 0.661 120.918 120.500 -0.405 0.000 2.061 84 R HA 0.028 4.368 4.340 0.000 0.000 0.230 84 R C 2.575 178.689 176.300 -0.310 0.000 1.140 84 R CA 1.896 57.800 56.100 -0.326 0.000 0.940 84 R CB -1.113 28.974 30.300 -0.354 0.000 0.839 84 R HN 0.430 nan 8.270 nan 0.000 0.429 85 G N 0.823 109.403 108.800 -0.365 0.000 2.475 85 G HA2 -0.279 3.681 3.960 0.000 0.000 0.220 85 G HA3 -0.279 3.681 3.960 0.000 0.000 0.220 85 G C 1.263 175.786 174.900 -0.628 0.000 1.125 85 G CA 0.932 45.676 45.100 -0.593 0.000 0.755 85 G HN 0.322 nan 8.290 nan 0.000 0.565 86 L N 0.018 120.948 121.223 -0.488 0.000 2.131 86 L HA 0.056 4.396 4.340 0.000 0.000 0.210 86 L C 2.656 179.332 176.870 -0.323 0.000 1.092 86 L CA 1.509 56.119 54.840 -0.382 0.000 0.759 86 L CB -0.135 41.751 42.059 -0.288 0.000 0.903 86 L HN 0.058 nan 8.230 nan 0.000 0.435 87 R N -0.865 119.463 120.500 -0.286 0.000 2.123 87 R HA 0.219 4.559 4.340 0.000 0.000 0.209 87 R C 0.521 176.681 176.300 -0.232 0.000 1.078 87 R CA 0.445 56.405 56.100 -0.233 0.000 1.028 87 R CB -0.137 30.057 30.300 -0.176 0.000 0.939 87 R HN 0.505 nan 8.270 nan 0.000 0.463 88 Q N 0.194 119.857 119.800 -0.229 0.000 2.340 88 Q HA 0.485 4.825 4.340 0.000 0.000 0.276 88 Q C -1.767 174.126 176.000 -0.179 0.000 1.048 88 Q CA -0.488 55.206 55.803 -0.181 0.000 0.832 88 Q CB 1.905 30.572 28.738 -0.118 0.000 1.373 88 Q HN 0.018 nan 8.270 nan 0.000 0.409 89 L N 1.744 122.885 121.223 -0.137 0.000 2.370 89 L HA 0.581 4.921 4.340 0.000 0.000 0.266 89 L C 0.320 177.218 176.870 0.047 0.000 1.002 89 L CA -0.932 53.851 54.840 -0.095 0.000 0.818 89 L CB 2.255 44.185 42.059 -0.215 0.000 1.325 89 L HN 0.899 nan 8.230 nan 0.000 0.418 90 T N -3.481 111.166 114.554 0.154 0.000 2.766 90 T HA 0.043 4.393 4.350 0.000 0.000 0.295 90 T C 0.796 175.623 174.700 0.212 0.000 1.024 90 T CA -0.190 62.014 62.100 0.174 0.000 1.018 90 T CB 0.611 69.592 68.868 0.188 0.000 1.002 90 T HN 0.761 nan 8.240 nan 0.000 0.532 91 D N -0.162 120.324 120.400 0.142 0.000 2.392 91 D HA -0.003 4.637 4.640 0.000 0.000 0.228 91 D C 1.887 178.255 176.300 0.114 0.000 1.003 91 D CA 0.821 54.892 54.000 0.119 0.000 0.917 91 D CB -0.713 40.132 40.800 0.075 0.000 0.890 91 D HN 0.674 nan 8.370 nan 0.000 0.532 92 A N -0.257 122.644 122.820 0.135 0.000 2.067 92 A HA -0.131 4.189 4.320 0.000 0.000 0.219 92 A C 1.327 178.854 177.584 -0.096 0.000 1.158 92 A CA 0.589 52.643 52.037 0.028 0.000 0.661 92 A CB -0.922 18.099 19.000 0.034 0.000 0.801 92 A HN 0.313 nan 8.150 nan 0.000 0.452 93 Y N 0.182 120.548 120.300 0.110 0.000 2.471 93 Y HA 0.095 4.645 4.550 0.000 0.000 0.286 93 Y C 1.940 177.901 175.900 0.102 0.000 1.188 93 Y CA 0.323 58.501 58.100 0.131 0.000 1.286 93 Y CB -0.111 38.442 38.460 0.156 0.000 1.072 93 Y HN 0.449 nan 8.280 nan 0.000 0.517 94 E N -0.438 119.843 120.200 0.135 0.000 2.160 94 E HA -0.239 4.111 4.350 0.000 0.000 0.195 94 E C 2.106 178.755 176.600 0.083 0.000 0.991 94 E CA 1.507 57.967 56.400 0.100 0.000 0.810 94 E CB -0.234 29.506 29.700 0.066 0.000 0.742 94 E HN 0.648 nan 8.360 nan 0.000 0.466 95 C N -0.499 118.835 119.300 0.057 0.000 2.449 95 C HA 0.082 4.542 4.460 0.000 0.000 0.283 95 C C 1.749 176.793 174.990 0.090 0.000 1.453 95 C CA -0.135 58.911 59.018 0.048 0.000 1.779 95 C CB -0.974 26.771 27.740 0.009 0.000 1.779 95 C HN 0.215 nan 8.230 nan 0.000 0.546 96 L N 0.765 122.078 121.223 0.150 0.000 2.910 96 L HA 0.236 4.576 4.340 0.000 0.000 0.252 96 L C 1.660 178.647 176.870 0.195 0.000 1.195 96 L CA 0.203 55.177 54.840 0.224 0.000 1.003 96 L CB -0.332 41.959 42.059 0.386 0.000 1.328 96 L HN 0.173 nan 8.230 nan 0.000 0.540 97 D N 1.529 122.013 120.400 0.140 0.000 2.263 97 D HA -0.138 4.502 4.640 0.000 0.000 0.208 97 D C 1.714 178.071 176.300 0.094 0.000 0.971 97 D CA 1.122 55.189 54.000 0.112 0.000 0.867 97 D CB 0.459 41.308 40.800 0.081 0.000 0.929 97 D HN 0.278 nan 8.370 nan 0.000 0.492 98 A N -0.944 121.925 122.820 0.081 0.000 2.507 98 A HA 0.400 4.720 4.320 0.000 0.000 0.270 98 A C 0.922 178.551 177.584 0.074 0.000 1.318 98 A CA -0.236 51.830 52.037 0.048 0.000 0.924 98 A CB 0.350 19.355 19.000 0.007 0.000 1.061 98 A HN 0.045 nan 8.150 nan 0.000 0.516 99 S N -0.844 114.938 115.700 0.137 0.000 3.021 99 S HA 0.164 4.634 4.470 0.000 0.000 0.252 99 S C 1.272 175.969 174.600 0.162 0.000 0.996 99 S CA -0.466 57.860 58.200 0.210 0.000 1.084 99 S CB 0.028 63.416 63.200 0.314 0.000 1.021 99 S HN 0.620 nan 8.310 nan 0.000 0.566 100 R N 1.950 122.535 120.500 0.143 0.000 2.096 100 R HA -0.056 4.284 4.340 0.000 0.000 0.235 100 R C -1.100 175.281 176.300 0.135 0.000 1.127 100 R CA 1.491 57.697 56.100 0.177 0.000 0.968 100 R CB -1.308 29.189 30.300 0.328 0.000 0.861 100 R HN 0.298 nan 8.270 nan 0.000 0.440 101 P HA -0.156 nan 4.420 nan 0.000 0.220 101 P C 0.404 177.584 177.300 -0.201 0.000 1.148 101 P CA 1.030 64.061 63.100 -0.115 0.000 0.803 101 P CB -0.085 31.450 31.700 -0.276 0.000 0.782 102 W N -0.495 120.613 121.300 -0.320 0.000 2.358 102 W HA -0.104 4.556 4.660 0.000 0.000 0.303 102 W C 2.086 178.021 176.519 -0.973 0.000 1.208 102 W CA 0.351 57.236 57.345 -0.766 0.000 1.274 102 W CB -0.802 28.012 29.460 -1.076 0.000 1.138 102 W HN -0.135 nan 8.180 nan 0.000 0.515 103 L N -0.962 120.102 121.223 -0.266 0.000 2.083 103 L HA -0.274 4.066 4.340 0.000 0.000 0.209 103 L C 2.394 179.206 176.870 -0.097 0.000 1.083 103 L CA 1.038 55.845 54.840 -0.056 0.000 0.752 103 L CB -1.039 41.012 42.059 -0.014 0.000 0.899 103 L HN 0.083 nan 8.230 nan 0.000 0.433 104 C N -1.288 117.956 119.300 -0.092 0.000 2.413 104 C HA -0.244 4.216 4.460 0.000 0.000 0.277 104 C C 2.735 177.698 174.990 -0.045 0.000 1.228 104 C CA 0.752 59.723 59.018 -0.078 0.000 1.731 104 C CB -0.855 26.870 27.740 -0.026 0.000 2.042 104 C HN 0.557 nan 8.230 nan 0.000 0.468 105 Y N 0.784 121.003 120.300 -0.135 0.000 2.097 105 Y HA -0.214 4.336 4.550 0.000 0.000 0.282 105 Y C 2.366 178.335 175.900 0.115 0.000 1.152 105 Y CA 1.616 59.672 58.100 -0.073 0.000 1.136 105 Y CB -0.711 37.665 38.460 -0.140 0.000 0.975 105 Y HN 0.387 nan 8.280 nan 0.000 0.498 106 W N 0.513 121.747 121.300 -0.109 0.000 2.335 106 W HA -0.240 4.420 4.660 0.000 0.000 0.311 106 W C 2.483 178.869 176.519 -0.222 0.000 1.213 106 W CA 1.582 58.798 57.345 -0.215 0.000 1.274 106 W CB -1.369 28.148 29.460 0.096 0.000 1.148 106 W HN 0.211 nan 8.180 nan 0.000 0.498 107 I N -0.599 119.999 120.570 0.047 0.000 2.133 107 I HA -0.290 3.880 4.170 0.000 0.000 0.238 107 I C 2.395 178.458 176.117 -0.090 0.000 1.074 107 I CA 0.840 62.097 61.300 -0.072 0.000 1.342 107 I CB -0.988 36.860 38.000 -0.252 0.000 1.053 107 I HN -0.191 nan 8.210 nan 0.000 0.404 108 L N 0.361 121.525 121.223 -0.098 0.000 2.081 108 L HA -0.281 4.059 4.340 0.000 0.000 0.212 108 L C 2.615 179.449 176.870 -0.059 0.000 1.080 108 L CA 1.988 56.787 54.840 -0.069 0.000 0.754 108 L CB -1.356 40.674 42.059 -0.049 0.000 0.893 108 L HN 0.346 nan 8.230 nan 0.000 0.433 109 H N -1.469 117.452 119.070 -0.249 0.000 2.395 109 H HA -0.024 4.532 4.556 0.000 0.000 0.299 109 H C 2.281 177.495 175.328 -0.190 0.000 1.070 109 H CA 1.566 57.453 56.048 -0.269 0.000 1.356 109 H CB 0.213 29.639 29.762 -0.561 0.000 1.401 109 H HN 0.204 nan 8.280 nan 0.000 0.524 110 S N -0.012 115.526 115.700 -0.271 0.000 2.368 110 S HA -0.093 4.377 4.470 0.000 0.000 0.225 110 S C 2.237 176.760 174.600 -0.130 0.000 1.030 110 S CA 1.200 59.260 58.200 -0.233 0.000 0.999 110 S CB -0.243 62.901 63.200 -0.093 0.000 0.844 110 S HN 0.370 nan 8.310 nan 0.000 0.459 111 L N 1.259 122.445 121.223 -0.061 0.000 2.141 111 L HA -0.105 4.235 4.340 0.000 0.000 0.209 111 L C 2.717 179.579 176.870 -0.012 0.000 1.094 111 L CA 1.325 56.178 54.840 0.022 0.000 0.763 111 L CB -0.465 41.622 42.059 0.047 0.000 0.908 111 L HN 0.433 nan 8.230 nan 0.000 0.437 112 E N 0.821 120.979 120.200 -0.070 0.000 2.107 112 E HA -0.197 4.153 4.350 0.000 0.000 0.191 112 E C 2.307 178.852 176.600 -0.092 0.000 0.982 112 E CA 0.897 57.262 56.400 -0.058 0.000 0.809 112 E CB -0.025 29.666 29.700 -0.014 0.000 0.756 112 E HN 0.482 nan 8.360 nan 0.000 0.459 113 L N 0.633 121.736 121.223 -0.201 0.000 2.141 113 L HA -0.101 4.239 4.340 0.000 0.000 0.209 113 L C 2.250 179.086 176.870 -0.056 0.000 1.094 113 L CA 0.671 55.414 54.840 -0.161 0.000 0.763 113 L CB -0.097 41.798 42.059 -0.274 0.000 0.908 113 L HN 0.219 nan 8.230 nan 0.000 0.437 114 L N -0.590 120.611 121.223 -0.036 0.000 2.627 114 L HA 0.002 4.342 4.340 0.000 0.000 0.232 114 L C 0.427 177.297 176.870 -0.001 0.000 1.150 114 L CA -0.049 54.799 54.840 0.014 0.000 0.917 114 L CB -0.345 41.756 42.059 0.070 0.000 1.104 114 L HN 0.229 nan 8.230 nan 0.000 0.445 115 D N 0.919 121.312 120.400 -0.012 0.000 2.837 115 D HA -0.175 4.465 4.640 0.000 0.000 0.230 115 D C 0.091 176.370 176.300 -0.035 0.000 1.152 115 D CA 0.718 54.706 54.000 -0.020 0.000 0.736 115 D CB -0.272 40.517 40.800 -0.019 0.000 1.084 115 D HN 0.286 nan 8.370 nan 0.000 0.429 116 E N 0.735 120.926 120.200 -0.015 0.000 2.200 116 E HA 0.408 4.758 4.350 0.000 0.000 0.283 116 E C -1.921 174.692 176.600 0.022 0.000 1.015 116 E CA -1.519 54.874 56.400 -0.012 0.000 0.819 116 E CB 0.982 30.745 29.700 0.106 0.000 1.081 116 E HN 0.278 nan 8.360 nan 0.000 0.397 117 P HA 0.341 nan 4.420 nan 0.000 0.281 117 P C -0.292 177.029 177.300 0.035 0.000 1.249 117 P CA -0.518 62.589 63.100 0.011 0.000 0.810 117 P CB 0.745 32.441 31.700 -0.007 0.000 1.008 118 I N 3.155 123.732 120.570 0.011 0.000 2.297 118 I HA 0.253 4.423 4.170 0.000 0.000 0.291 118 I C -1.956 174.157 176.117 -0.005 0.000 1.033 118 I CA -2.082 59.220 61.300 0.003 0.000 1.253 118 I CB 0.230 38.218 38.000 -0.019 0.000 1.396 118 I HN 0.156 nan 8.210 nan 0.000 0.476 119 P HA 0.048 nan 4.420 nan 0.000 0.265 119 P C 0.323 177.611 177.300 -0.020 0.000 1.193 119 P CA -0.216 62.881 63.100 -0.006 0.000 0.765 119 P CB 0.520 32.220 31.700 0.000 0.000 0.823 120 Q N 1.568 121.354 119.800 -0.023 0.000 2.248 120 Q HA -0.209 4.131 4.340 0.000 0.000 0.208 120 Q C 1.641 177.623 176.000 -0.030 0.000 0.984 120 Q CA 1.132 56.916 55.803 -0.031 0.000 0.875 120 Q CB -0.490 28.230 28.738 -0.030 0.000 0.910 120 Q HN 0.461 nan 8.270 nan 0.000 0.433 121 I N -0.101 120.454 120.570 -0.024 0.000 2.252 121 I HA -0.199 3.971 4.170 0.000 0.000 0.245 121 I C 1.976 178.076 176.117 -0.029 0.000 1.102 121 I CA 0.995 62.280 61.300 -0.024 0.000 1.385 121 I CB -0.106 37.882 38.000 -0.020 0.000 1.064 121 I HN -0.089 nan 8.210 nan 0.000 0.414 122 V N 1.340 121.234 119.914 -0.033 0.000 2.295 122 V HA -0.276 3.844 4.120 0.000 0.000 0.246 122 V C 2.793 178.861 176.094 -0.043 0.000 1.049 122 V CA 1.812 64.086 62.300 -0.043 0.000 1.024 122 V CB -1.577 30.218 31.823 -0.046 0.000 0.648 122 V HN 0.569 nan 8.190 nan 0.000 0.447 123 A N 0.010 122.804 122.820 -0.043 0.000 1.892 123 A HA -0.290 4.030 4.320 0.000 0.000 0.218 123 A C 2.402 179.959 177.584 -0.044 0.000 1.188 123 A CA 2.841 54.848 52.037 -0.050 0.000 0.631 123 A CB -1.160 17.803 19.000 -0.061 0.000 0.822 123 A HN 0.527 nan 8.150 nan 0.000 0.447 124 T N 0.275 114.806 114.554 -0.037 0.000 2.746 124 T HA -0.130 4.220 4.350 0.000 0.000 0.267 124 T C 1.470 176.165 174.700 -0.009 0.000 1.039 124 T CA 1.490 63.575 62.100 -0.025 0.000 1.142 124 T CB -0.449 68.405 68.868 -0.024 0.000 0.866 124 T HN 0.513 nan 8.240 nan 0.000 0.444 125 D N 0.851 121.244 120.400 -0.011 0.000 2.178 125 D HA -0.042 4.598 4.640 0.000 0.000 0.201 125 D C 2.259 178.580 176.300 0.035 0.000 0.980 125 D CA 0.607 54.608 54.000 0.002 0.000 0.842 125 D CB -0.400 40.384 40.800 -0.026 0.000 0.948 125 D HN 0.240 nan 8.370 nan 0.000 0.472 126 V N 0.865 120.789 119.914 0.015 0.000 2.307 126 V HA -0.243 3.877 4.120 0.000 0.000 0.245 126 V C 2.775 178.912 176.094 0.072 0.000 1.045 126 V CA 1.158 63.487 62.300 0.048 0.000 1.024 126 V CB -0.616 31.203 31.823 -0.007 0.000 0.651 126 V HN 0.269 nan 8.190 nan 0.000 0.449 127 C N -0.272 119.041 119.300 0.021 0.000 2.393 127 C HA -0.252 4.208 4.460 0.000 0.000 0.276 127 C C 2.902 177.916 174.990 0.040 0.000 1.215 127 C CA 1.420 60.447 59.018 0.014 0.000 1.743 127 C CB -1.166 26.568 27.740 -0.011 0.000 2.044 127 C HN 0.606 nan 8.230 nan 0.000 0.464 128 Q N -0.849 118.981 119.800 0.049 0.000 2.084 128 Q HA -0.200 4.140 4.340 0.000 0.000 0.202 128 Q C 2.023 178.073 176.000 0.083 0.000 0.978 128 Q CA 1.706 57.542 55.803 0.055 0.000 0.844 128 Q CB -0.360 28.408 28.738 0.050 0.000 0.898 128 Q HN 0.781 nan 8.270 nan 0.000 0.426 129 F N 1.052 120.993 119.950 -0.015 0.000 2.146 129 F HA -0.133 4.394 4.527 0.000 0.000 0.298 129 F C 1.666 177.472 175.800 0.011 0.000 1.096 129 F CA 1.149 59.140 58.000 -0.015 0.000 1.275 129 F CB -0.117 38.860 39.000 -0.038 0.000 1.008 129 F HN -0.047 nan 8.300 nan 0.000 0.480 130 L N 0.004 121.147 121.223 -0.134 0.000 2.201 130 L HA -0.173 4.167 4.340 0.000 0.000 0.212 130 L C 2.325 179.224 176.870 0.047 0.000 1.105 130 L CA 1.312 56.072 54.840 -0.134 0.000 0.775 130 L CB -0.743 41.264 42.059 -0.088 0.000 0.913 130 L HN 0.208 nan 8.230 nan 0.000 0.440 131 E N 0.319 120.527 120.200 0.013 0.000 2.077 131 E HA -0.208 4.142 4.350 0.000 0.000 0.193 131 E C 2.317 178.868 176.600 -0.082 0.000 0.989 131 E CA 1.062 57.461 56.400 -0.002 0.000 0.800 131 E CB -0.102 29.595 29.700 -0.003 0.000 0.746 131 E HN 0.492 nan 8.360 nan 0.000 0.452 132 L N 0.226 121.369 121.223 -0.134 0.000 2.141 132 L HA -0.173 4.167 4.340 0.000 0.000 0.209 132 L C 2.432 179.180 176.870 -0.203 0.000 1.094 132 L CA 0.543 55.289 54.840 -0.156 0.000 0.763 132 L CB -0.272 41.706 42.059 -0.134 0.000 0.908 132 L HN 0.292 nan 8.230 nan 0.000 0.437 133 C N -1.061 118.075 119.300 -0.274 0.000 2.464 133 C HA -0.072 4.388 4.460 0.000 0.000 0.278 133 C C 1.605 176.528 174.990 -0.112 0.000 1.375 133 C CA -0.415 58.489 59.018 -0.191 0.000 1.761 133 C CB -0.791 26.815 27.740 -0.223 0.000 1.944 133 C HN 0.419 nan 8.230 nan 0.000 0.509 134 Q N 1.725 121.404 119.800 -0.202 0.000 2.300 134 Q HA 0.109 4.449 4.340 0.000 0.000 0.280 134 Q C 0.241 176.008 176.000 -0.387 0.000 1.033 134 Q CA 0.185 55.625 55.803 -0.605 0.000 0.903 134 Q CB 0.541 28.817 28.738 -0.769 0.000 1.195 134 Q HN 0.475 nan 8.270 nan 0.000 0.386 135 S N 4.414 119.865 115.700 -0.415 0.000 2.565 135 S HA 0.269 4.739 4.470 0.000 0.000 0.274 135 S C -1.589 172.864 174.600 -0.244 0.000 1.309 135 S CA -1.497 56.538 58.200 -0.274 0.000 1.043 135 S CB 0.794 63.819 63.200 -0.292 0.000 0.939 135 S HN 0.645 nan 8.310 nan 0.000 0.504 136 P HA -0.021 nan 4.420 nan 0.000 0.225 136 P C 0.116 177.349 177.300 -0.113 0.000 1.148 136 P CA 0.916 63.942 63.100 -0.123 0.000 0.779 136 P CB 0.046 31.696 31.700 -0.083 0.000 0.780 137 D N -0.313 120.012 120.400 -0.125 0.000 2.339 137 D HA 0.243 4.883 4.640 0.000 0.000 0.217 137 D C 1.164 177.411 176.300 -0.090 0.000 1.050 137 D CA 0.635 54.584 54.000 -0.084 0.000 0.856 137 D CB 0.313 41.077 40.800 -0.061 0.000 0.922 137 D HN 0.185 nan 8.370 nan 0.000 0.518 138 G N -0.139 108.543 108.800 -0.198 0.000 2.650 138 G HA2 0.369 4.329 3.960 0.000 0.000 0.686 138 G HA3 0.369 4.329 3.960 0.000 0.000 0.686 138 G C 0.246 174.832 174.900 -0.524 0.000 1.205 138 G CA -0.453 44.511 45.100 -0.228 0.000 0.781 138 G HN 0.653 nan 8.290 nan 0.000 0.648 139 G N -0.814 107.716 108.800 -0.451 0.000 2.828 139 G HA2 0.328 4.288 3.960 0.000 0.000 0.463 139 G HA3 0.328 4.288 3.960 0.000 0.000 0.463 139 G C -0.418 174.139 174.900 -0.572 0.000 1.394 139 G CA 0.195 45.014 45.100 -0.467 0.000 0.862 139 G HN 1.774 nan 8.290 nan 0.000 0.540 140 F N 0.335 120.135 119.950 -0.251 0.000 2.546 140 F HA 0.694 5.221 4.527 0.000 0.000 0.320 140 F C 1.114 176.823 175.800 -0.152 0.000 1.076 140 F CA 0.200 58.081 58.000 -0.198 0.000 0.928 140 F CB 2.102 40.989 39.000 -0.188 0.000 1.189 140 F HN 0.805 nan 8.300 nan 0.000 0.465 141 G N -0.073 108.748 108.800 0.035 0.000 2.522 141 G HA2 0.433 4.393 3.960 0.000 0.000 0.304 141 G HA3 0.433 4.393 3.960 0.000 0.000 0.304 141 G C 0.784 175.684 174.900 0.001 0.000 1.210 141 G CA -0.453 44.661 45.100 0.023 0.000 0.960 141 G HN 0.926 nan 8.290 nan 0.000 0.497 142 G N -1.617 107.176 108.800 -0.011 0.000 2.848 142 G HA2 0.469 4.429 3.960 0.000 0.000 0.208 142 G HA3 0.469 4.429 3.960 0.000 0.000 0.208 142 G C 0.646 175.561 174.900 0.025 0.000 1.152 142 G CA 0.832 45.926 45.100 -0.009 0.000 0.789 142 G HN 1.259 nan 8.290 nan 0.000 0.531 143 G N -1.202 107.593 108.800 -0.008 0.000 2.356 143 G HA2 0.455 4.415 3.960 0.000 0.000 0.294 143 G HA3 0.455 4.415 3.960 0.000 0.000 0.294 143 G C -3.464 171.397 174.900 -0.063 0.000 1.423 143 G CA -0.967 44.139 45.100 0.010 0.000 0.806 143 G HN -0.099 nan 8.290 nan 0.000 0.527 144 P HA 0.329 nan 4.420 nan 0.000 0.263 144 P C 1.034 178.314 177.300 -0.033 0.000 1.195 144 P CA 1.906 64.964 63.100 -0.070 0.000 0.762 144 P CB 0.954 32.647 31.700 -0.011 0.000 0.799 145 G N 1.953 110.730 108.800 -0.039 0.000 2.179 145 G HA2 -0.270 3.690 3.960 0.000 0.000 0.260 145 G HA3 -0.270 3.690 3.960 0.000 0.000 0.260 145 G C 0.153 175.047 174.900 -0.010 0.000 0.977 145 G CA -0.243 44.849 45.100 -0.014 0.000 0.641 145 G HN 0.558 nan 8.290 nan 0.000 0.533 146 Q N -0.558 119.226 119.800 -0.027 0.000 2.306 146 Q HA 0.485 4.825 4.340 0.000 0.000 0.241 146 Q C 0.228 176.276 176.000 0.080 0.000 0.948 146 Q CA -0.588 55.186 55.803 -0.049 0.000 0.886 146 Q CB 0.800 29.509 28.738 -0.048 0.000 1.227 146 Q HN 0.512 nan 8.270 nan 0.000 0.457 147 Y N 1.763 122.050 120.300 -0.022 0.000 2.550 147 Y HA 0.045 4.595 4.550 0.000 0.000 0.343 147 Y C -1.558 174.327 175.900 -0.024 0.000 1.245 147 Y CA -1.963 56.126 58.100 -0.018 0.000 1.462 147 Y CB 0.073 38.548 38.460 0.024 0.000 1.340 147 Y HN 0.437 nan 8.280 nan 0.000 0.604 148 P HA 0.008 nan 4.420 nan 0.000 0.272 148 P C -1.011 176.406 177.300 0.195 0.000 1.223 148 P CA 0.511 63.563 63.100 -0.080 0.000 0.784 148 P CB 1.143 32.471 31.700 -0.620 0.000 0.923 149 H N 1.434 120.576 119.070 0.120 0.000 3.046 149 H HA 0.198 4.754 4.556 0.000 0.000 0.363 149 H C 0.623 176.107 175.328 0.260 0.000 1.203 149 H CA -0.564 55.637 56.048 0.255 0.000 1.169 149 H CB 1.482 31.316 29.762 0.119 0.000 1.851 149 H HN 0.189 nan 8.280 nan 0.000 0.546 150 L N 2.462 123.873 121.223 0.313 0.000 2.131 150 L HA -0.124 4.216 4.340 0.000 0.000 0.210 150 L C 2.496 179.540 176.870 0.291 0.000 1.092 150 L CA 1.510 56.516 54.840 0.276 0.000 0.759 150 L CB -0.422 41.709 42.059 0.121 0.000 0.903 150 L HN 0.670 nan 8.230 nan 0.000 0.435 151 A N 0.761 123.890 122.820 0.516 0.000 1.855 151 A HA -0.079 4.241 4.320 0.000 0.000 0.215 151 A C -0.151 177.303 177.584 -0.216 0.000 1.191 151 A CA 1.405 53.619 52.037 0.295 0.000 0.613 151 A CB -1.761 17.597 19.000 0.596 0.000 0.829 151 A HN 0.282 nan 8.150 nan 0.000 0.442 152 P HA -0.069 nan 4.420 nan 0.000 0.223 152 P C 1.232 178.368 177.300 -0.275 0.000 1.151 152 P CA 1.490 64.370 63.100 -0.367 0.000 0.787 152 P CB -0.323 31.284 31.700 -0.154 0.000 0.788 153 T N -0.712 113.819 114.554 -0.038 0.000 2.737 153 T HA -0.190 4.160 4.350 0.000 0.000 0.265 153 T C 1.702 176.308 174.700 -0.157 0.000 1.038 153 T CA 1.277 63.405 62.100 0.046 0.000 1.144 153 T CB -1.105 67.891 68.868 0.213 0.000 0.866 153 T HN 0.101 nan 8.240 nan 0.000 0.434 154 Y N 2.142 122.270 120.300 -0.287 0.000 2.145 154 Y HA -0.049 4.501 4.550 0.000 0.000 0.286 154 Y C 2.508 178.068 175.900 -0.566 0.000 1.145 154 Y CA 1.109 58.987 58.100 -0.370 0.000 1.148 154 Y CB -0.708 37.567 38.460 -0.309 0.000 0.981 154 Y HN 0.162 nan 8.280 nan 0.000 0.507 155 A N 0.818 123.141 122.820 -0.827 0.000 1.902 155 A HA -0.116 4.204 4.320 0.000 0.000 0.217 155 A C 2.424 179.599 177.584 -0.681 0.000 1.181 155 A CA 2.007 53.462 52.037 -0.971 0.000 0.623 155 A CB -1.556 16.740 19.000 -1.174 0.000 0.818 155 A HN 0.665 nan 8.150 nan 0.000 0.443 156 A N -0.623 121.778 122.820 -0.697 0.000 1.898 156 A HA 0.017 4.337 4.320 0.000 0.000 0.216 156 A C 2.228 179.386 177.584 -0.710 0.000 1.181 156 A CA 1.761 53.308 52.037 -0.816 0.000 0.620 156 A CB -0.931 17.156 19.000 -1.522 0.000 0.819 156 A HN 0.391 nan 8.150 nan 0.000 0.442 157 V N 0.758 120.288 119.914 -0.639 0.000 2.343 157 V HA -0.245 3.875 4.120 0.000 0.000 0.247 157 V C 2.354 178.244 176.094 -0.340 0.000 1.051 157 V CA 2.219 64.282 62.300 -0.395 0.000 1.036 157 V CB -1.048 30.603 31.823 -0.287 0.000 0.654 157 V HN 0.543 nan 8.190 nan 0.000 0.451 158 N N 0.402 118.804 118.700 -0.496 0.000 2.120 158 N HA -0.109 4.631 4.740 0.000 0.000 0.188 158 N C 1.848 177.271 175.510 -0.144 0.000 1.024 158 N CA 1.674 54.476 53.050 -0.413 0.000 0.852 158 N CB -0.525 37.452 38.487 -0.851 0.000 1.003 158 N HN 0.468 nan 8.380 nan 0.000 0.424 159 A N 0.663 123.402 122.820 -0.135 0.000 1.877 159 A HA -0.058 4.262 4.320 0.000 0.000 0.216 159 A C 2.299 179.836 177.584 -0.079 0.000 1.186 159 A CA 0.995 53.008 52.037 -0.040 0.000 0.620 159 A CB -0.819 18.133 19.000 -0.080 0.000 0.822 159 A HN 0.262 nan 8.150 nan 0.000 0.443 160 L N -0.793 120.352 121.223 -0.130 0.000 2.083 160 L HA -0.251 4.089 4.340 0.000 0.000 0.209 160 L C 2.594 179.439 176.870 -0.043 0.000 1.083 160 L CA 1.189 55.976 54.840 -0.088 0.000 0.752 160 L CB -0.635 41.386 42.059 -0.064 0.000 0.899 160 L HN 0.487 nan 8.230 nan 0.000 0.433 161 C N -0.452 118.854 119.300 0.010 0.000 2.450 161 C HA -0.047 4.413 4.460 0.000 0.000 0.279 161 C C 2.698 177.708 174.990 0.033 0.000 1.335 161 C CA 0.113 59.188 59.018 0.095 0.000 1.749 161 C CB -0.559 27.216 27.740 0.058 0.000 1.963 161 C HN 0.429 nan 8.230 nan 0.000 0.501 162 I N 0.823 121.399 120.570 0.009 0.000 2.202 162 I HA -0.191 3.979 4.170 0.000 0.000 0.242 162 I C 2.266 178.367 176.117 -0.027 0.000 1.091 162 I CA 1.703 63.016 61.300 0.022 0.000 1.368 162 I CB -0.304 37.727 38.000 0.052 0.000 1.058 162 I HN 0.273 nan 8.210 nan 0.000 0.410 163 I N 0.581 121.109 120.570 -0.069 0.000 2.142 163 I HA -0.212 3.958 4.170 0.000 0.000 0.240 163 I C 1.816 177.822 176.117 -0.185 0.000 1.078 163 I CA 1.502 62.734 61.300 -0.114 0.000 1.343 163 I CB -0.875 37.049 38.000 -0.126 0.000 1.046 163 I HN 0.454 nan 8.210 nan 0.000 0.405 164 G N 1.476 110.095 108.800 -0.302 0.000 2.198 164 G HA2 -0.265 3.695 3.960 0.000 0.000 0.260 164 G HA3 -0.265 3.695 3.960 0.000 0.000 0.260 164 G C 0.383 174.858 174.900 -0.710 0.000 1.025 164 G CA 0.507 45.305 45.100 -0.504 0.000 0.769 164 G HN 0.548 nan 8.290 nan 0.000 0.507 165 T N -3.332 110.827 114.554 -0.658 0.000 2.881 165 T HA 0.655 5.005 4.350 0.000 0.000 0.278 165 T C 1.220 175.531 174.700 -0.648 0.000 0.982 165 T CA 0.069 61.881 62.100 -0.481 0.000 0.989 165 T CB 1.626 70.335 68.868 -0.265 0.000 1.058 165 T HN -0.035 nan 8.240 nan 0.000 0.529 166 E N 0.325 120.331 120.200 -0.324 0.000 2.110 166 E HA -0.145 4.205 4.350 0.000 0.000 0.193 166 E C 1.898 178.415 176.600 -0.137 0.000 0.988 166 E CA 1.143 57.433 56.400 -0.183 0.000 0.804 166 E CB -0.290 29.386 29.700 -0.039 0.000 0.745 166 E HN 0.903 nan 8.360 nan 0.000 0.458 167 E N 0.657 120.779 120.200 -0.131 0.000 2.085 167 E HA -0.182 4.168 4.350 0.000 0.000 0.194 167 E C 1.965 178.513 176.600 -0.085 0.000 0.994 167 E CA 1.107 57.460 56.400 -0.078 0.000 0.801 167 E CB 0.020 29.677 29.700 -0.072 0.000 0.743 167 E HN 0.164 nan 8.360 nan 0.000 0.453 168 A N 0.357 123.063 122.820 -0.190 0.000 1.877 168 A HA -0.173 4.147 4.320 0.000 0.000 0.216 168 A C 1.993 179.554 177.584 -0.038 0.000 1.186 168 A CA 1.397 53.336 52.037 -0.163 0.000 0.620 168 A CB -1.086 17.745 19.000 -0.283 0.000 0.822 168 A HN 0.474 nan 8.150 nan 0.000 0.443 169 Y N 0.309 120.567 120.300 -0.070 0.000 2.165 169 Y HA -0.234 4.316 4.550 0.000 0.000 0.286 169 Y C 2.357 178.357 175.900 0.166 0.000 1.155 169 Y CA 0.890 58.987 58.100 -0.005 0.000 1.164 169 Y CB -0.235 37.843 38.460 -0.638 0.000 0.978 169 Y HN 0.319 nan 8.280 nan 0.000 0.513 170 N N -0.157 118.671 118.700 0.214 0.000 2.453 170 N HA -0.114 4.626 4.740 0.000 0.000 0.183 170 N C 1.778 177.381 175.510 0.154 0.000 1.041 170 N CA 0.676 53.837 53.050 0.185 0.000 0.900 170 N CB -0.422 38.132 38.487 0.112 0.000 0.961 170 N HN 0.169 nan 8.380 nan 0.000 0.443 171 V N 1.590 121.590 119.914 0.143 0.000 2.287 171 V HA -0.148 3.972 4.120 0.000 0.000 0.248 171 V C 1.095 177.286 176.094 0.161 0.000 1.053 171 V CA 0.865 63.244 62.300 0.132 0.000 1.027 171 V CB -0.344 31.562 31.823 0.139 0.000 0.646 171 V HN 0.198 nan 8.190 nan 0.000 0.447 172 I N 2.189 122.898 120.570 0.232 0.000 2.664 172 I HA -0.020 4.150 4.170 0.000 0.000 0.284 172 I C 0.668 176.849 176.117 0.106 0.000 1.154 172 I CA 0.367 61.787 61.300 0.200 0.000 1.402 172 I CB -0.252 37.860 38.000 0.186 0.000 1.395 172 I HN 0.166 nan 8.210 nan 0.000 0.545 173 N N 7.191 125.895 118.700 0.006 0.000 2.555 173 N HA 0.110 4.850 4.740 0.000 0.000 0.244 173 N C 1.036 176.543 175.510 -0.004 0.000 1.114 173 N CA 0.047 53.091 53.050 -0.009 0.000 0.963 173 N CB 0.443 38.889 38.487 -0.068 0.000 1.276 173 N HN 0.473 nan 8.380 nan 0.000 0.510 174 R N 1.823 122.339 120.500 0.027 0.000 2.096 174 R HA -0.150 4.190 4.340 0.000 0.000 0.235 174 R C 0.866 177.182 176.300 0.027 0.000 1.127 174 R CA 1.555 57.661 56.100 0.012 0.000 0.968 174 R CB 0.233 30.550 30.300 0.029 0.000 0.861 174 R HN 0.482 nan 8.270 nan 0.000 0.440 175 E N 0.521 120.743 120.200 0.038 0.000 2.046 175 E HA -0.112 4.238 4.350 0.000 0.000 0.190 175 E C 1.778 178.411 176.600 0.056 0.000 0.982 175 E CA 0.979 57.411 56.400 0.054 0.000 0.800 175 E CB 0.014 29.742 29.700 0.046 0.000 0.756 175 E HN 0.018 nan 8.360 nan 0.000 0.449 176 K N 0.363 120.778 120.400 0.024 0.000 2.148 176 K HA -0.025 4.295 4.320 0.000 0.000 0.204 176 K C 2.049 178.676 176.600 0.046 0.000 1.050 176 K CA 0.398 56.695 56.287 0.017 0.000 0.942 176 K CB -0.419 32.058 32.500 -0.040 0.000 0.724 176 K HN 0.130 nan 8.250 nan 0.000 0.446 177 L N 1.068 122.309 121.223 0.030 0.000 2.046 177 L HA -0.114 4.226 4.340 0.000 0.000 0.208 177 L C 2.081 179.014 176.870 0.104 0.000 1.077 177 L CA 1.306 56.185 54.840 0.066 0.000 0.747 177 L CB -0.701 41.374 42.059 0.027 0.000 0.896 177 L HN 0.059 nan 8.230 nan 0.000 0.432 178 L N -0.528 120.743 121.223 0.080 0.000 2.017 178 L HA -0.220 4.120 4.340 0.000 0.000 0.208 178 L C 2.491 179.465 176.870 0.174 0.000 1.073 178 L CA 1.791 56.683 54.840 0.086 0.000 0.745 178 L CB -0.824 41.313 42.059 0.129 0.000 0.894 178 L HN 0.432 nan 8.230 nan 0.000 0.432 179 Q N -1.833 118.081 119.800 0.191 0.000 2.061 179 Q HA -0.285 4.055 4.340 0.000 0.000 0.204 179 Q C 2.199 178.300 176.000 0.168 0.000 0.984 179 Q CA 2.219 58.132 55.803 0.182 0.000 0.846 179 Q CB -0.478 28.325 28.738 0.108 0.000 0.902 179 Q HN 0.612 nan 8.270 nan 0.000 0.421 180 Y N 1.276 121.596 120.300 0.033 0.000 2.128 180 Y HA -0.245 4.305 4.550 0.000 0.000 0.284 180 Y C 1.839 177.759 175.900 0.033 0.000 1.154 180 Y CA 1.469 59.578 58.100 0.014 0.000 1.149 180 Y CB -0.300 38.153 38.460 -0.012 0.000 0.976 180 Y HN 0.029 nan 8.280 nan 0.000 0.505 181 L N -1.519 119.663 121.223 -0.068 0.000 2.046 181 L HA -0.290 4.050 4.340 0.000 0.000 0.208 181 L C 2.270 179.096 176.870 -0.073 0.000 1.077 181 L CA 1.751 56.510 54.840 -0.135 0.000 0.747 181 L CB -1.027 40.934 42.059 -0.164 0.000 0.896 181 L HN 0.253 nan 8.230 nan 0.000 0.432 182 Y N 0.432 120.691 120.300 -0.067 0.000 2.207 182 Y HA -0.291 4.259 4.550 0.000 0.000 0.287 182 Y C 3.093 178.891 175.900 -0.170 0.000 1.156 182 Y CA 1.442 59.468 58.100 -0.123 0.000 1.182 182 Y CB -0.173 38.213 38.460 -0.124 0.000 0.979 182 Y HN 0.320 nan 8.280 nan 0.000 0.521 183 S N -0.260 115.428 115.700 -0.020 0.000 2.447 183 S HA -0.122 4.348 4.470 0.000 0.000 0.233 183 S C 1.534 176.031 174.600 -0.172 0.000 1.006 183 S CA 1.037 59.176 58.200 -0.100 0.000 0.957 183 S CB -0.621 62.527 63.200 -0.086 0.000 0.773 183 S HN 0.502 nan 8.310 nan 0.000 0.507 184 L N -0.297 120.798 121.223 -0.213 0.000 2.513 184 L HA 0.337 4.677 4.340 0.000 0.000 0.222 184 L C 0.957 177.682 176.870 -0.240 0.000 1.096 184 L CA -0.176 54.550 54.840 -0.190 0.000 0.857 184 L CB -0.254 41.705 42.059 -0.165 0.000 1.026 184 L HN 0.107 nan 8.230 nan 0.000 0.469 185 K N 1.842 122.021 120.400 -0.368 0.000 2.472 185 K HA 0.018 4.338 4.320 0.000 0.000 0.280 185 K C -0.195 176.113 176.600 -0.488 0.000 1.028 185 K CA 0.506 56.339 56.287 -0.758 0.000 1.045 185 K CB 0.368 32.495 32.500 -0.621 0.000 0.902 185 K HN -0.065 nan 8.250 nan 0.000 0.478 186 Q N 4.720 124.198 119.800 -0.536 0.000 2.226 186 Q HA 0.274 4.614 4.340 0.000 0.000 0.256 186 Q C -1.786 174.042 176.000 -0.288 0.000 0.962 186 Q CA -2.240 53.352 55.803 -0.352 0.000 0.887 186 Q CB 0.907 29.432 28.738 -0.354 0.000 1.282 186 Q HN 0.432 nan 8.270 nan 0.000 0.449 187 P HA -0.145 nan 4.420 nan 0.000 0.220 187 P C 0.402 177.639 177.300 -0.104 0.000 1.148 187 P CA 1.212 64.233 63.100 -0.132 0.000 0.803 187 P CB 0.249 31.892 31.700 -0.094 0.000 0.782 188 D N -1.701 118.632 120.400 -0.111 0.000 2.363 188 D HA 0.062 4.702 4.640 0.000 0.000 0.226 188 D C 1.445 177.731 176.300 -0.023 0.000 1.020 188 D CA 0.675 54.657 54.000 -0.030 0.000 0.892 188 D CB -0.884 39.936 40.800 0.033 0.000 0.900 188 D HN 0.237 nan 8.370 nan 0.000 0.531 189 G N -0.176 108.538 108.800 -0.144 0.000 2.213 189 G HA2 -0.284 3.676 3.960 0.000 0.000 0.236 189 G HA3 -0.284 3.676 3.960 0.000 0.000 0.236 189 G C 0.496 175.225 174.900 -0.285 0.000 0.991 189 G CA 0.392 45.423 45.100 -0.114 0.000 0.629 189 G HN 0.828 nan 8.290 nan 0.000 0.517 190 S N -0.399 114.920 115.700 -0.636 0.000 2.655 190 S HA 0.813 5.283 4.470 0.000 0.000 0.265 190 S C -0.306 173.892 174.600 -0.671 0.000 1.240 190 S CA -0.415 57.222 58.200 -0.939 0.000 0.986 190 S CB 1.446 63.612 63.200 -1.724 0.000 0.985 190 S HN 0.553 nan 8.310 nan 0.000 0.562 191 F N -0.430 119.238 119.950 -0.469 0.000 2.551 191 F HA 0.519 5.046 4.527 -0.000 0.000 0.316 191 F C -0.067 175.561 175.800 -0.288 0.000 1.089 191 F CA -1.000 56.818 58.000 -0.303 0.000 0.915 191 F CB 1.534 40.415 39.000 -0.199 0.000 1.186 191 F HN 0.452 nan 8.300 nan 0.000 0.456 192 L N 3.475 124.648 121.223 -0.084 0.000 2.436 192 L HA 0.138 4.478 4.340 0.000 0.000 0.265 192 L C 1.344 178.158 176.870 -0.094 0.000 1.168 192 L CA -0.551 54.210 54.840 -0.132 0.000 0.815 192 L CB 0.500 42.447 42.059 -0.186 0.000 1.109 192 L HN 0.682 nan 8.230 nan 0.000 0.462 193 M N 0.552 120.078 119.600 -0.123 0.000 2.254 193 M HA -0.024 4.456 4.480 0.000 0.000 0.265 193 M C 0.420 176.594 176.300 -0.209 0.000 1.066 193 M CA 1.310 56.526 55.300 -0.140 0.000 1.123 193 M CB -1.031 31.521 32.600 -0.080 0.000 1.388 193 M HN 0.791 nan 8.290 nan 0.000 0.425 194 H N -4.934 114.002 119.070 -0.223 0.000 2.967 194 H HA 0.502 5.058 4.556 0.000 0.000 0.318 194 H C -0.911 174.404 175.328 -0.023 0.000 1.375 194 H CA -1.252 54.754 56.048 -0.069 0.000 1.132 194 H CB 0.568 30.309 29.762 -0.035 0.000 1.848 194 H HN -0.245 nan 8.280 nan 0.000 0.524 195 V N 1.546 121.513 119.914 0.088 0.000 2.599 195 V HA 0.259 4.379 4.120 0.000 0.000 0.300 195 V C 1.570 177.646 176.094 -0.030 0.000 1.034 195 V CA 1.498 63.801 62.300 0.005 0.000 1.115 195 V CB 0.251 32.110 31.823 0.060 0.000 0.934 195 V HN 1.371 nan 8.190 nan 0.000 0.485 196 G N 3.498 112.236 108.800 -0.103 0.000 2.179 196 G HA2 -0.163 3.797 3.960 0.000 0.000 0.257 196 G HA3 -0.163 3.797 3.960 0.000 0.000 0.257 196 G C 0.490 175.261 174.900 -0.215 0.000 1.010 196 G CA 0.298 45.346 45.100 -0.088 0.000 0.736 196 G HN 1.341 nan 8.290 nan 0.000 0.513 197 G N -0.781 107.703 108.800 -0.527 0.000 2.671 197 G HA2 0.701 4.661 3.960 0.000 0.000 0.275 197 G HA3 0.701 4.661 3.960 0.000 0.000 0.275 197 G C 0.035 174.747 174.900 -0.314 0.000 1.368 197 G CA 0.098 44.727 45.100 -0.784 0.000 1.044 197 G HN 0.567 nan 8.290 nan 0.000 0.543 198 E N -0.518 119.566 120.200 -0.195 0.000 2.248 198 E HA 0.460 4.810 4.350 0.000 0.000 0.272 198 E C -0.932 175.629 176.600 -0.064 0.000 1.008 198 E CA -0.778 55.585 56.400 -0.062 0.000 0.856 198 E CB 1.757 31.479 29.700 0.037 0.000 1.120 198 E HN 0.092 nan 8.360 nan 0.000 0.397 199 V N 2.338 122.222 119.914 -0.051 0.000 2.435 199 V HA 0.404 4.524 4.120 0.000 0.000 0.290 199 V C -0.552 175.551 176.094 0.015 0.000 1.030 199 V CA -0.280 61.974 62.300 -0.076 0.000 0.881 199 V CB 0.975 32.706 31.823 -0.153 0.000 0.983 199 V HN 0.930 nan 8.190 nan 0.000 0.445 200 D N 2.538 122.966 120.400 0.047 0.000 2.671 200 D HA 0.254 4.894 4.640 0.000 0.000 0.273 200 D C 0.318 176.772 176.300 0.258 0.000 1.264 200 D CA -0.675 53.417 54.000 0.153 0.000 0.788 200 D CB 1.524 42.334 40.800 0.016 0.000 1.324 200 D HN 0.049 nan 8.370 nan 0.000 0.424 201 V N 0.434 120.537 119.914 0.315 0.000 2.568 201 V HA -0.237 3.883 4.120 0.000 0.000 0.253 201 V C 2.365 178.653 176.094 0.322 0.000 1.072 201 V CA 1.988 64.521 62.300 0.390 0.000 1.084 201 V CB -0.951 30.999 31.823 0.211 0.000 0.676 201 V HN 0.533 nan 8.190 nan 0.000 0.469 202 R N 1.018 121.718 120.500 0.333 0.000 2.091 202 R HA -0.186 4.154 4.340 0.000 0.000 0.238 202 R C 2.667 179.103 176.300 0.227 0.000 1.136 202 R CA 1.818 58.097 56.100 0.299 0.000 0.959 202 R CB -0.634 29.840 30.300 0.289 0.000 0.856 202 R HN 0.739 nan 8.270 nan 0.000 0.437 203 S N 0.686 116.486 115.700 0.168 0.000 2.368 203 S HA -0.126 4.344 4.470 0.000 0.000 0.225 203 S C 2.258 176.847 174.600 -0.018 0.000 1.030 203 S CA 1.016 59.257 58.200 0.070 0.000 0.999 203 S CB -0.248 62.987 63.200 0.059 0.000 0.844 203 S HN 0.378 nan 8.310 nan 0.000 0.459 204 A N 0.869 123.745 122.820 0.093 0.000 1.902 204 A HA -0.036 4.284 4.320 0.000 0.000 0.217 204 A C 2.117 179.717 177.584 0.027 0.000 1.181 204 A CA 1.638 53.734 52.037 0.098 0.000 0.623 204 A CB -1.328 17.841 19.000 0.281 0.000 0.818 204 A HN 0.704 nan 8.150 nan 0.000 0.443 205 Y N 0.268 120.561 120.300 -0.012 0.000 2.145 205 Y HA -0.253 4.297 4.550 0.000 0.000 0.286 205 Y C 2.572 178.446 175.900 -0.043 0.000 1.145 205 Y CA 1.381 59.458 58.100 -0.038 0.000 1.148 205 Y CB -0.939 37.524 38.460 0.005 0.000 0.981 205 Y HN 0.375 nan 8.280 nan 0.000 0.507 206 C N 0.532 119.696 119.300 -0.228 0.000 2.413 206 C HA -0.145 4.315 4.460 0.000 0.000 0.276 206 C C 3.075 177.964 174.990 -0.168 0.000 1.248 206 C CA 1.266 60.140 59.018 -0.240 0.000 1.742 206 C CB -1.821 25.887 27.740 -0.052 0.000 2.017 206 C HN 0.737 nan 8.230 nan 0.000 0.481 207 A N 0.442 123.123 122.820 -0.232 0.000 1.873 207 A HA 0.129 4.449 4.320 0.000 0.000 0.215 207 A C 2.375 179.940 177.584 -0.032 0.000 1.186 207 A CA 1.954 53.839 52.037 -0.253 0.000 0.616 207 A CB -0.956 17.553 19.000 -0.818 0.000 0.823 207 A HN 0.559 nan 8.150 nan 0.000 0.442 208 A N -0.804 121.913 122.820 -0.171 0.000 1.933 208 A HA -0.093 4.227 4.320 0.000 0.000 0.218 208 A C 2.476 179.975 177.584 -0.141 0.000 1.175 208 A CA 2.189 54.008 52.037 -0.363 0.000 0.628 208 A CB -0.900 17.789 19.000 -0.518 0.000 0.814 208 A HN 0.557 nan 8.150 nan 0.000 0.444 209 S N -0.346 115.265 115.700 -0.147 0.000 2.338 209 S HA -0.154 4.316 4.470 0.000 0.000 0.218 209 S C 2.113 176.761 174.600 0.081 0.000 1.032 209 S CA 2.205 60.428 58.200 0.039 0.000 0.999 209 S CB -0.842 62.306 63.200 -0.087 0.000 0.905 209 S HN 1.019 nan 8.310 nan 0.000 0.439 210 V N 0.655 120.566 119.914 -0.004 0.000 2.427 210 V HA 0.100 4.220 4.120 0.000 0.000 0.248 210 V C 2.486 178.548 176.094 -0.053 0.000 1.051 210 V CA 1.761 64.031 62.300 -0.051 0.000 1.048 210 V CB -1.638 30.162 31.823 -0.039 0.000 0.666 210 V HN 0.517 nan 8.190 nan 0.000 0.456 211 A N 1.566 124.397 122.820 0.018 0.000 1.930 211 A HA -0.099 4.221 4.320 0.000 0.000 0.217 211 A C 2.559 180.170 177.584 0.045 0.000 1.175 211 A CA 2.338 54.410 52.037 0.059 0.000 0.627 211 A CB -0.919 18.224 19.000 0.237 0.000 0.815 211 A HN 0.898 nan 8.150 nan 0.000 0.443 212 S N 0.130 115.866 115.700 0.059 0.000 2.371 212 S HA -0.036 4.434 4.470 0.000 0.000 0.224 212 S C 1.888 176.486 174.600 -0.003 0.000 1.029 212 S CA 1.237 59.477 58.200 0.066 0.000 0.978 212 S CB -0.769 62.512 63.200 0.135 0.000 0.833 212 S HN 0.405 nan 8.310 nan 0.000 0.466 213 L N 2.015 123.191 121.223 -0.079 0.000 2.042 213 L HA -0.082 4.258 4.340 0.000 0.000 0.210 213 L C 2.937 179.665 176.870 -0.238 0.000 1.076 213 L CA 1.679 56.399 54.840 -0.201 0.000 0.749 213 L CB -1.062 40.820 42.059 -0.295 0.000 0.893 213 L HN 0.613 nan 8.230 nan 0.000 0.432 214 T N -4.383 109.935 114.554 -0.392 0.000 3.107 214 T HA 0.047 4.397 4.350 0.000 0.000 0.249 214 T C 0.856 175.377 174.700 -0.298 0.000 1.096 214 T CA 0.180 61.808 62.100 -0.785 0.000 1.012 214 T CB -0.286 68.129 68.868 -0.755 0.000 0.977 214 T HN 0.334 nan 8.240 nan 0.000 0.527 215 N N 1.131 119.777 118.700 -0.090 0.000 2.727 215 N HA -0.169 4.571 4.740 0.000 0.000 0.251 215 N C 0.256 175.769 175.510 0.004 0.000 1.040 215 N CA 0.891 53.944 53.050 0.006 0.000 0.712 215 N CB -1.917 36.608 38.487 0.064 0.000 0.912 215 N HN 0.914 nan 8.380 nan 0.000 0.545 216 I N -2.857 117.712 120.570 -0.001 0.000 4.081 216 I HA 0.373 4.543 4.170 0.000 0.000 0.333 216 I C 0.143 176.284 176.117 0.039 0.000 1.413 216 I CA -0.594 60.715 61.300 0.015 0.000 1.110 216 I CB 0.151 38.147 38.000 -0.008 0.000 1.082 216 I HN 0.037 nan 8.210 nan 0.000 0.402 217 I N 4.082 124.699 120.570 0.078 0.000 2.494 217 I HA 0.079 4.249 4.170 0.000 0.000 0.289 217 I C 0.889 177.062 176.117 0.094 0.000 1.106 217 I CA 0.187 61.563 61.300 0.128 0.000 1.369 217 I CB 0.445 38.579 38.000 0.224 0.000 1.410 217 I HN 0.350 nan 8.210 nan 0.000 0.523 218 T N 3.328 117.928 114.554 0.078 0.000 2.881 218 T HA 0.331 4.681 4.350 0.000 0.000 0.278 218 T C -1.655 173.114 174.700 0.114 0.000 0.982 218 T CA -1.759 60.403 62.100 0.104 0.000 0.989 218 T CB 1.338 70.331 68.868 0.208 0.000 1.058 218 T HN 0.284 nan 8.240 nan 0.000 0.529 219 P HA -0.053 nan 4.420 nan 0.000 0.218 219 P C 1.008 178.381 177.300 0.123 0.000 1.148 219 P CA 1.025 64.187 63.100 0.104 0.000 0.822 219 P CB 0.030 31.775 31.700 0.075 0.000 0.784 220 D N -1.578 118.912 120.400 0.151 0.000 2.379 220 D HA -0.011 4.629 4.640 0.000 0.000 0.208 220 D C 1.730 178.080 176.300 0.085 0.000 1.065 220 D CA -0.110 53.975 54.000 0.140 0.000 0.848 220 D CB -0.793 40.108 40.800 0.169 0.000 0.949 220 D HN 0.004 nan 8.370 nan 0.000 0.509 221 L N 0.273 121.481 121.223 -0.025 0.000 2.021 221 L HA -0.077 4.263 4.340 0.000 0.000 0.215 221 L C 1.192 177.778 176.870 -0.474 0.000 1.074 221 L CA 1.754 56.334 54.840 -0.435 0.000 0.760 221 L CB -0.740 40.889 42.059 -0.717 0.000 0.889 221 L HN -0.031 nan 8.230 nan 0.000 0.433 222 F N -0.913 119.091 119.950 0.090 0.000 2.668 222 F HA 0.268 4.795 4.527 0.000 0.000 0.297 222 F C 0.735 176.587 175.800 0.086 0.000 1.124 222 F CA -0.711 57.365 58.000 0.127 0.000 1.353 222 F CB -0.163 38.911 39.000 0.124 0.000 0.992 222 F HN -0.040 nan 8.300 nan 0.000 0.524 223 E N 0.538 120.821 120.200 0.139 0.000 2.415 223 E HA 0.320 4.670 4.350 0.000 0.000 0.260 223 E C 1.157 177.808 176.600 0.084 0.000 1.016 223 E CA 0.858 57.319 56.400 0.103 0.000 0.924 223 E CB 0.462 30.198 29.700 0.061 0.000 0.961 223 E HN 0.468 nan 8.360 nan 0.000 0.459 224 G N 3.127 111.990 108.800 0.105 0.000 2.205 224 G HA2 -0.370 3.590 3.960 0.000 0.000 0.261 224 G HA3 -0.370 3.590 3.960 0.000 0.000 0.261 224 G C 1.295 176.300 174.900 0.175 0.000 0.980 224 G CA 0.777 45.942 45.100 0.109 0.000 0.632 224 G HN 0.591 nan 8.290 nan 0.000 0.533 225 T N 1.019 115.705 114.554 0.220 0.000 2.708 225 T HA 0.133 4.483 4.350 0.000 0.000 0.266 225 T C 2.798 177.671 174.700 0.287 0.000 1.037 225 T CA 2.511 64.801 62.100 0.316 0.000 1.146 225 T CB -0.488 68.666 68.868 0.478 0.000 0.865 225 T HN 1.231 nan 8.240 nan 0.000 0.435 226 A N 1.623 124.558 122.820 0.193 0.000 1.908 226 A HA -0.157 4.163 4.320 0.000 0.000 0.218 226 A C 2.226 179.873 177.584 0.104 0.000 1.181 226 A CA 1.794 53.904 52.037 0.122 0.000 0.627 226 A CB -0.566 18.483 19.000 0.080 0.000 0.818 226 A HN 0.448 nan 8.150 nan 0.000 0.445 227 E N -1.478 118.792 120.200 0.115 0.000 2.106 227 E HA -0.175 4.175 4.350 0.000 0.000 0.192 227 E C 1.563 178.210 176.600 0.079 0.000 0.984 227 E CA 1.197 57.645 56.400 0.079 0.000 0.806 227 E CB -0.365 29.383 29.700 0.080 0.000 0.750 227 E HN 0.843 nan 8.360 nan 0.000 0.458 228 W N 0.971 122.279 121.300 0.014 0.000 2.355 228 W HA -0.092 4.568 4.660 0.000 0.000 0.309 228 W C 1.706 178.222 176.519 -0.004 0.000 1.206 228 W CA 1.435 58.782 57.345 0.004 0.000 1.284 228 W CB -0.208 29.261 29.460 0.015 0.000 1.145 228 W HN -0.025 nan 8.180 nan 0.000 0.502 229 I N 0.751 121.370 120.570 0.083 0.000 2.163 229 I HA -0.330 3.840 4.170 0.000 0.000 0.243 229 I C 2.597 178.583 176.117 -0.219 0.000 1.085 229 I CA 1.570 62.819 61.300 -0.085 0.000 1.347 229 I CB -1.140 36.915 38.000 0.091 0.000 1.044 229 I HN 0.084 nan 8.210 nan 0.000 0.408 230 A N 0.753 123.493 122.820 -0.133 0.000 1.978 230 A HA -0.201 4.119 4.320 0.000 0.000 0.220 230 A C 2.336 179.802 177.584 -0.198 0.000 1.170 230 A CA 1.426 53.382 52.037 -0.135 0.000 0.636 230 A CB -0.593 18.364 19.000 -0.072 0.000 0.810 230 A HN 0.349 nan 8.150 nan 0.000 0.448 231 R N -1.173 119.163 120.500 -0.273 0.000 2.237 231 R HA -0.082 4.258 4.340 0.000 0.000 0.219 231 R C 1.574 177.645 176.300 -0.382 0.000 1.080 231 R CA 1.159 57.075 56.100 -0.307 0.000 0.995 231 R CB -0.543 29.542 30.300 -0.359 0.000 0.875 231 R HN 0.615 nan 8.270 nan 0.000 0.462 232 C N 0.216 119.227 119.300 -0.481 0.000 2.539 232 C HA 0.032 4.492 4.460 0.000 0.000 0.268 232 C C 1.225 176.022 174.990 -0.321 0.000 1.395 232 C CA -0.457 58.295 59.018 -0.444 0.000 1.757 232 C CB -0.827 26.590 27.740 -0.537 0.000 1.851 232 C HN 0.445 nan 8.230 nan 0.000 0.545 233 Q N 2.826 122.462 119.800 -0.273 0.000 2.297 233 Q HA 0.158 4.498 4.340 0.000 0.000 0.267 233 Q C 0.154 176.014 176.000 -0.233 0.000 1.006 233 Q CA 0.248 55.895 55.803 -0.260 0.000 0.896 233 Q CB 0.553 29.170 28.738 -0.203 0.000 1.186 233 Q HN 0.704 nan 8.270 nan 0.000 0.392 234 N N 3.568 122.090 118.700 -0.296 0.000 2.813 234 N HA 0.127 4.867 4.740 0.000 0.000 0.320 234 N C 0.860 176.241 175.510 -0.215 0.000 1.315 234 N CA -0.583 52.330 53.050 -0.229 0.000 0.871 234 N CB -0.413 37.905 38.487 -0.282 0.000 1.241 234 N HN 0.855 nan 8.380 nan 0.000 0.602 235 W N -0.468 120.781 121.300 -0.086 0.000 2.359 235 W HA -0.082 4.578 4.660 0.000 0.000 0.275 235 W C 0.422 176.922 176.519 -0.032 0.000 1.217 235 W CA 0.992 58.308 57.345 -0.048 0.000 1.196 235 W CB -0.906 28.537 29.460 -0.028 0.000 1.129 235 W HN 0.578 nan 8.180 nan 0.000 0.566 236 E N 0.181 119.880 120.200 -0.835 0.000 2.285 236 E HA 0.136 4.486 4.350 0.000 0.000 0.194 236 E C 2.132 178.557 176.600 -0.292 0.000 0.997 236 E CA 0.900 56.903 56.400 -0.661 0.000 0.845 236 E CB -0.351 28.797 29.700 -0.920 0.000 0.782 236 E HN 0.424 nan 8.360 nan 0.000 0.491 237 G N 0.737 109.325 108.800 -0.354 0.000 2.284 237 G HA2 -0.227 3.733 3.960 0.000 0.000 0.216 237 G HA3 -0.227 3.733 3.960 0.000 0.000 0.216 237 G C 0.590 175.226 174.900 -0.439 0.000 1.009 237 G CA -0.228 44.738 45.100 -0.224 0.000 0.625 237 G HN 0.528 nan 8.290 nan 0.000 0.501 238 G N -0.397 107.767 108.800 -1.060 0.000 2.525 238 G HA2 0.636 4.596 3.960 0.000 0.000 0.287 238 G HA3 0.636 4.596 3.960 0.000 0.000 0.287 238 G C -0.246 174.132 174.900 -0.870 0.000 1.350 238 G CA -0.525 43.674 45.100 -1.501 0.000 1.039 238 G HN 0.689 nan 8.290 nan 0.000 0.513 239 I N 0.141 120.291 120.570 -0.700 0.000 2.465 239 I HA 0.451 4.621 4.170 0.000 0.000 0.291 239 I C 0.803 176.765 176.117 -0.259 0.000 1.014 239 I CA -0.728 60.341 61.300 -0.386 0.000 1.093 239 I CB 2.094 39.946 38.000 -0.247 0.000 1.267 239 I HN 0.581 nan 8.210 nan 0.000 0.431 240 G N 2.676 111.327 108.800 -0.249 0.000 2.502 240 G HA2 0.413 4.373 3.960 0.000 0.000 0.305 240 G HA3 0.413 4.373 3.960 0.000 0.000 0.305 240 G C 0.919 175.589 174.900 -0.383 0.000 1.190 240 G CA -0.156 44.825 45.100 -0.198 0.000 0.933 240 G HN 0.800 nan 8.290 nan 0.000 0.503 241 G N -1.364 106.995 108.800 -0.735 0.000 2.422 241 G HA2 0.213 4.173 3.960 0.000 0.000 0.218 241 G HA3 0.213 4.173 3.960 0.000 0.000 0.218 241 G C 0.665 175.271 174.900 -0.490 0.000 1.146 241 G CA 1.860 46.160 45.100 -1.333 0.000 0.769 241 G HN 1.477 nan 8.290 nan 0.000 0.547 242 V N -4.729 115.000 119.914 -0.308 0.000 3.159 242 V HA 0.671 4.791 4.120 0.000 0.000 0.308 242 V C -3.038 172.913 176.094 -0.239 0.000 1.190 242 V CA -3.034 59.171 62.300 -0.159 0.000 1.037 242 V CB 1.779 33.614 31.823 0.021 0.000 1.060 242 V HN -0.135 nan 8.190 nan 0.000 0.437 243 P HA 0.382 nan 4.420 nan 0.000 0.264 243 P C 0.959 178.189 177.300 -0.117 0.000 1.193 243 P CA 2.036 64.995 63.100 -0.235 0.000 0.763 243 P CB 0.731 32.291 31.700 -0.233 0.000 0.810 244 G N 1.889 110.635 108.800 -0.090 0.000 2.254 244 G HA2 -0.206 3.754 3.960 0.000 0.000 0.225 244 G HA3 -0.206 3.754 3.960 0.000 0.000 0.225 244 G C 0.223 175.122 174.900 -0.001 0.000 1.003 244 G CA -0.427 44.661 45.100 -0.021 0.000 0.622 244 G HN 0.398 nan 8.290 nan 0.000 0.507 245 M N 1.471 121.040 119.600 -0.052 0.000 2.241 245 M HA 0.366 4.846 4.480 0.000 0.000 0.335 245 M C 0.759 177.034 176.300 -0.040 0.000 1.122 245 M CA -0.679 54.600 55.300 -0.033 0.000 1.164 245 M CB 0.755 33.313 32.600 -0.069 0.000 1.459 245 M HN 0.406 nan 8.290 nan 0.000 0.461 246 E N 1.252 121.463 120.200 0.018 0.000 2.452 246 E HA 0.222 4.572 4.350 0.000 0.000 0.261 246 E C -0.585 175.984 176.600 -0.051 0.000 0.987 246 E CA -0.346 56.057 56.400 0.005 0.000 0.926 246 E CB 0.702 30.458 29.700 0.093 0.000 0.934 246 E HN 0.695 nan 8.360 nan 0.000 0.452 247 A N 5.006 127.698 122.820 -0.214 0.000 2.511 247 A HA 0.082 4.402 4.320 0.000 0.000 0.242 247 A C -0.417 177.165 177.584 -0.002 0.000 1.069 247 A CA 0.128 51.947 52.037 -0.365 0.000 0.763 247 A CB 0.357 18.785 19.000 -0.954 0.000 1.001 247 A HN 0.730 nan 8.150 nan 0.000 0.498 248 H N 1.256 120.297 119.070 -0.049 0.000 2.894 248 H HA 0.383 4.939 4.556 0.000 0.000 0.367 248 H C 1.156 176.599 175.328 0.190 0.000 1.144 248 H CA 0.136 56.271 56.048 0.146 0.000 1.180 248 H CB 1.778 31.623 29.762 0.139 0.000 1.758 248 H HN 0.673 nan 8.280 nan 0.000 0.541 249 G N 2.155 111.013 108.800 0.097 0.000 2.440 249 G HA2 -0.266 3.694 3.960 0.000 0.000 0.218 249 G HA3 -0.266 3.694 3.960 0.000 0.000 0.218 249 G C 1.486 176.565 174.900 0.298 0.000 1.154 249 G CA 0.872 46.116 45.100 0.240 0.000 0.767 249 G HN 0.664 nan 8.290 nan 0.000 0.552 250 G N -0.192 108.777 108.800 0.280 0.000 2.418 250 G HA2 -0.159 3.801 3.960 0.000 0.000 0.217 250 G HA3 -0.159 3.801 3.960 0.000 0.000 0.217 250 G C 1.619 176.388 174.900 -0.220 0.000 1.158 250 G CA 0.843 45.752 45.100 -0.319 0.000 0.771 250 G HN 0.526 nan 8.290 nan 0.000 0.545 251 Y N 0.851 121.164 120.300 0.022 0.000 2.314 251 Y HA -0.064 4.486 4.550 0.000 0.000 0.293 251 Y C 3.317 179.200 175.900 -0.027 0.000 1.129 251 Y CA 1.159 59.242 58.100 -0.028 0.000 1.201 251 Y CB -0.164 38.264 38.460 -0.053 0.000 0.999 251 Y HN 0.115 nan 8.280 nan 0.000 0.541 252 T N 0.448 115.086 114.554 0.140 0.000 2.777 252 T HA -0.208 4.142 4.350 0.000 0.000 0.266 252 T C 1.553 176.275 174.700 0.036 0.000 1.040 252 T CA 1.374 63.491 62.100 0.028 0.000 1.141 252 T CB -0.638 68.230 68.868 -0.001 0.000 0.868 252 T HN 0.336 nan 8.240 nan 0.000 0.444 253 F N 1.477 121.438 119.950 0.018 0.000 2.095 253 F HA -0.179 4.348 4.527 0.000 0.000 0.298 253 F C 2.466 178.184 175.800 -0.138 0.000 1.104 253 F CA 0.843 58.831 58.000 -0.019 0.000 1.232 253 F CB -0.779 38.311 39.000 0.151 0.000 0.987 253 F HN 0.147 nan 8.300 nan 0.000 0.475 254 C N 0.853 120.102 119.300 -0.085 0.000 2.413 254 C HA -0.137 4.323 4.460 0.000 0.000 0.276 254 C C 3.104 178.002 174.990 -0.154 0.000 1.236 254 C CA 1.363 60.248 59.018 -0.220 0.000 1.735 254 C CB -1.943 25.842 27.740 0.076 0.000 2.031 254 C HN 0.753 nan 8.230 nan 0.000 0.474 255 G N -0.041 108.717 108.800 -0.070 0.000 2.433 255 G HA2 -0.197 3.763 3.960 0.000 0.000 0.216 255 G HA3 -0.197 3.763 3.960 0.000 0.000 0.216 255 G C 1.501 176.330 174.900 -0.117 0.000 1.186 255 G CA 1.032 46.101 45.100 -0.050 0.000 0.779 255 G HN 0.443 nan 8.290 nan 0.000 0.543 256 L N 1.368 122.476 121.223 -0.192 0.000 2.027 256 L HA 0.200 4.540 4.340 0.000 0.000 0.206 256 L C 3.083 179.795 176.870 -0.265 0.000 1.074 256 L CA 2.155 56.875 54.840 -0.201 0.000 0.745 256 L CB -0.778 41.170 42.059 -0.184 0.000 0.898 256 L HN 0.243 nan 8.230 nan 0.000 0.433 257 A N -0.553 121.969 122.820 -0.496 0.000 1.933 257 A HA -0.108 4.212 4.320 0.000 0.000 0.218 257 A C 2.432 179.930 177.584 -0.144 0.000 1.175 257 A CA 1.771 53.535 52.037 -0.456 0.000 0.628 257 A CB -1.113 17.324 19.000 -0.939 0.000 0.814 257 A HN 0.568 nan 8.150 nan 0.000 0.444 258 A N -0.345 122.446 122.820 -0.048 0.000 1.930 258 A HA 0.009 4.329 4.320 0.000 0.000 0.217 258 A C 2.136 179.674 177.584 -0.076 0.000 1.175 258 A CA 1.386 53.423 52.037 0.001 0.000 0.627 258 A CB -0.523 18.511 19.000 0.057 0.000 0.815 258 A HN 0.470 nan 8.150 nan 0.000 0.443 259 L N -0.581 120.601 121.223 -0.068 0.000 2.093 259 L HA -0.133 4.207 4.340 0.000 0.000 0.208 259 L C 2.492 179.331 176.870 -0.052 0.000 1.085 259 L CA 0.774 55.583 54.840 -0.053 0.000 0.755 259 L CB -0.509 41.524 42.059 -0.042 0.000 0.904 259 L HN 0.241 nan 8.230 nan 0.000 0.435 260 V N 0.379 120.254 119.914 -0.065 0.000 2.295 260 V HA -0.310 3.810 4.120 0.000 0.000 0.246 260 V C 2.337 178.412 176.094 -0.031 0.000 1.049 260 V CA 1.930 64.206 62.300 -0.040 0.000 1.024 260 V CB -0.313 31.481 31.823 -0.048 0.000 0.648 260 V HN 0.306 nan 8.190 nan 0.000 0.447 261 I N -0.397 120.133 120.570 -0.067 0.000 2.208 261 I HA -0.269 3.901 4.170 0.000 0.000 0.245 261 I C 2.152 178.225 176.117 -0.074 0.000 1.097 261 I CA 1.674 62.932 61.300 -0.069 0.000 1.363 261 I CB -0.276 37.649 38.000 -0.125 0.000 1.051 261 I HN 0.252 nan 8.210 nan 0.000 0.413 262 L N 0.211 121.370 121.223 -0.107 0.000 2.478 262 L HA -0.027 4.313 4.340 0.000 0.000 0.223 262 L C 0.518 177.379 176.870 -0.015 0.000 1.140 262 L CA 0.371 55.160 54.840 -0.086 0.000 0.842 262 L CB -0.341 41.656 42.059 -0.103 0.000 0.953 262 L HN 0.244 nan 8.230 nan 0.000 0.452 263 K N 0.503 120.900 120.400 -0.006 0.000 3.162 263 K HA -0.158 4.162 4.320 0.000 0.000 0.268 263 K C -0.058 176.551 176.600 0.016 0.000 1.062 263 K CA 0.310 56.606 56.287 0.016 0.000 0.769 263 K CB -1.049 31.470 32.500 0.030 0.000 1.274 263 K HN 0.211 nan 8.250 nan 0.000 0.478 264 K N 0.100 120.503 120.400 0.006 0.000 2.706 264 K HA 0.055 4.375 4.320 0.000 0.000 0.203 264 K C 0.271 176.872 176.600 0.002 0.000 1.102 264 K CA -0.032 56.261 56.287 0.010 0.000 1.058 264 K CB 0.872 33.383 32.500 0.019 0.000 0.779 264 K HN 0.189 nan 8.250 nan 0.000 0.483 265 E N 0.707 120.906 120.200 -0.002 0.000 2.219 265 E HA -0.167 4.183 4.350 0.000 0.000 0.198 265 E C 1.563 178.161 176.600 -0.004 0.000 0.998 265 E CA 1.165 57.560 56.400 -0.009 0.000 0.818 265 E CB -0.081 29.617 29.700 -0.002 0.000 0.741 265 E HN 0.097 nan 8.360 nan 0.000 0.477 266 R N 0.221 120.724 120.500 0.004 0.000 2.241 266 R HA 0.041 4.381 4.340 0.000 0.000 0.224 266 R C 1.945 178.244 176.300 -0.000 0.000 1.101 266 R CA 0.901 57.004 56.100 0.005 0.000 0.995 266 R CB -0.116 30.190 30.300 0.011 0.000 0.870 266 R HN 0.043 nan 8.270 nan 0.000 0.463 267 S N 0.095 115.794 115.700 -0.002 0.000 2.442 267 S HA -0.023 4.447 4.470 0.000 0.000 0.236 267 S C 0.643 175.229 174.600 -0.023 0.000 1.007 267 S CA 0.654 58.849 58.200 -0.007 0.000 0.965 267 S CB -0.047 63.152 63.200 -0.002 0.000 0.773 267 S HN 0.177 nan 8.310 nan 0.000 0.504 268 L N 1.820 123.027 121.223 -0.027 0.000 2.375 268 L HA 0.365 4.705 4.340 0.000 0.000 0.268 268 L C 0.455 177.310 176.870 -0.027 0.000 1.058 268 L CA -0.788 54.028 54.840 -0.041 0.000 0.803 268 L CB 0.408 42.438 42.059 -0.050 0.000 1.212 268 L HN 0.015 nan 8.230 nan 0.000 0.451 269 N N 2.012 120.693 118.700 -0.031 0.000 2.508 269 N HA 0.116 4.856 4.740 0.000 0.000 0.253 269 N C 0.675 176.181 175.510 -0.006 0.000 1.145 269 N CA 0.117 53.159 53.050 -0.014 0.000 0.973 269 N CB 0.592 39.070 38.487 -0.015 0.000 1.305 269 N HN 0.568 nan 8.380 nan 0.000 0.506 270 L N 2.194 123.420 121.223 0.005 0.000 2.191 270 L HA -0.120 4.220 4.340 0.000 0.000 0.212 270 L C 2.086 178.979 176.870 0.039 0.000 1.103 270 L CA 0.831 55.683 54.840 0.019 0.000 0.769 270 L CB -0.147 41.926 42.059 0.023 0.000 0.908 270 L HN 0.352 nan 8.230 nan 0.000 0.438 271 K N -0.021 120.402 120.400 0.038 0.000 2.076 271 K HA -0.043 4.277 4.320 0.000 0.000 0.204 271 K C 2.401 179.038 176.600 0.061 0.000 1.051 271 K CA 1.537 57.854 56.287 0.051 0.000 0.949 271 K CB -0.369 32.156 32.500 0.042 0.000 0.726 271 K HN 0.385 nan 8.250 nan 0.000 0.443 272 S N 1.426 117.154 115.700 0.047 0.000 2.402 272 S HA -0.074 4.396 4.470 0.000 0.000 0.229 272 S C 2.137 176.790 174.600 0.087 0.000 1.021 272 S CA 0.606 58.840 58.200 0.057 0.000 0.974 272 S CB -0.531 62.684 63.200 0.025 0.000 0.800 272 S HN 0.209 nan 8.310 nan 0.000 0.484 273 L N 0.277 121.538 121.223 0.063 0.000 2.017 273 L HA -0.012 4.328 4.340 0.000 0.000 0.208 273 L C 2.568 179.549 176.870 0.185 0.000 1.073 273 L CA 1.473 56.371 54.840 0.097 0.000 0.745 273 L CB -0.393 41.685 42.059 0.032 0.000 0.894 273 L HN 0.390 nan 8.230 nan 0.000 0.432 274 L N -0.117 121.187 121.223 0.134 0.000 2.012 274 L HA -0.296 4.045 4.340 0.000 0.000 0.210 274 L C 2.509 179.469 176.870 0.151 0.000 1.073 274 L CA 2.041 56.965 54.840 0.141 0.000 0.748 274 L CB -0.623 41.506 42.059 0.117 0.000 0.891 274 L HN 0.368 nan 8.230 nan 0.000 0.431 275 Q N -1.764 118.120 119.800 0.140 0.000 2.084 275 Q HA -0.276 4.064 4.340 0.000 0.000 0.202 275 Q C 2.107 178.192 176.000 0.141 0.000 0.978 275 Q CA 2.198 58.076 55.803 0.125 0.000 0.844 275 Q CB -0.512 28.292 28.738 0.109 0.000 0.898 275 Q HN 0.672 nan 8.270 nan 0.000 0.426 276 W N -0.242 121.058 121.300 0.000 0.000 2.379 276 W HA -0.193 4.467 4.660 0.000 0.000 0.307 276 W C 1.999 178.521 176.519 0.004 0.000 1.200 276 W CA 1.580 58.909 57.345 -0.025 0.000 1.297 276 W CB -0.629 28.786 29.460 -0.075 0.000 1.140 276 W HN 0.059 nan 8.180 nan 0.000 0.507 277 V N 1.318 121.323 119.914 0.151 0.000 2.295 277 V HA -0.304 3.816 4.120 0.000 0.000 0.246 277 V C 2.535 178.619 176.094 -0.017 0.000 1.049 277 V CA 3.375 65.634 62.300 -0.068 0.000 1.024 277 V CB -1.205 30.691 31.823 0.120 0.000 0.648 277 V HN 0.479 nan 8.190 nan 0.000 0.447 278 T N -2.781 111.821 114.554 0.079 0.000 2.788 278 T HA -0.177 4.173 4.350 0.000 0.000 0.268 278 T C 1.897 176.597 174.700 -0.000 0.000 1.044 278 T CA 1.886 64.059 62.100 0.123 0.000 1.139 278 T CB -0.721 68.232 68.868 0.142 0.000 0.867 278 T HN 0.462 nan 8.240 nan 0.000 0.454 279 S N 1.108 116.756 115.700 -0.087 0.000 2.474 279 S HA 0.040 4.510 4.470 0.000 0.000 0.235 279 S C 1.986 176.438 174.600 -0.247 0.000 0.997 279 S CA 0.340 58.448 58.200 -0.152 0.000 0.949 279 S CB -0.240 62.865 63.200 -0.158 0.000 0.766 279 S HN 0.457 nan 8.310 nan 0.000 0.517 280 R N 1.133 121.453 120.500 -0.301 0.000 2.299 280 R HA 0.160 4.500 4.340 0.000 0.000 0.197 280 R C 0.864 177.000 176.300 -0.274 0.000 0.971 280 R CA 0.068 55.992 56.100 -0.293 0.000 1.030 280 R CB -0.311 29.757 30.300 -0.387 0.000 0.932 280 R HN 0.508 nan 8.270 nan 0.000 0.477 281 Q N 1.132 120.620 119.800 -0.519 0.000 2.304 281 Q HA 0.127 4.467 4.340 0.000 0.000 0.260 281 Q C -0.501 175.234 176.000 -0.442 0.000 0.965 281 Q CA -0.166 55.053 55.803 -0.973 0.000 0.898 281 Q CB 0.730 28.847 28.738 -1.035 0.000 1.196 281 Q HN -0.141 nan 8.270 nan 0.000 0.402 282 M N 4.473 123.851 119.600 -0.371 0.000 2.146 282 M HA 0.098 4.578 4.480 0.000 0.000 0.352 282 M C 1.129 177.374 176.300 -0.092 0.000 1.343 282 M CA 0.400 55.593 55.300 -0.178 0.000 1.115 282 M CB 0.564 33.077 32.600 -0.145 0.000 1.657 282 M HN 0.702 nan 8.290 nan 0.000 0.471 283 R N 1.607 122.090 120.500 -0.028 0.000 2.105 283 R HA -0.179 4.161 4.340 0.000 0.000 0.239 283 R C 1.516 177.868 176.300 0.088 0.000 1.135 283 R CA 1.632 57.751 56.100 0.031 0.000 0.967 283 R CB -0.526 29.787 30.300 0.022 0.000 0.861 283 R HN 0.538 nan 8.270 nan 0.000 0.442 284 F N 1.956 121.891 119.950 -0.024 0.000 2.123 284 F HA 0.083 4.610 4.527 0.000 0.000 0.289 284 F C 1.861 177.864 175.800 0.339 0.000 1.099 284 F CA 1.321 59.342 58.000 0.035 0.000 1.234 284 F CB 0.025 39.017 39.000 -0.014 0.000 1.034 284 F HN -0.103 nan 8.300 nan 0.000 0.479 285 E N 0.106 120.390 120.200 0.139 0.000 2.106 285 E HA 0.059 4.409 4.350 0.000 0.000 0.192 285 E C 1.872 178.530 176.600 0.096 0.000 0.984 285 E CA 1.338 57.783 56.400 0.075 0.000 0.806 285 E CB -0.641 29.000 29.700 -0.099 0.000 0.750 285 E HN 0.619 nan 8.360 nan 0.000 0.458 286 G N -0.291 108.496 108.800 -0.023 0.000 2.268 286 G HA2 -0.251 3.709 3.960 0.000 0.000 0.240 286 G HA3 -0.251 3.709 3.960 0.000 0.000 0.240 286 G C 0.668 175.480 174.900 -0.147 0.000 1.010 286 G CA 0.068 45.146 45.100 -0.036 0.000 0.618 286 G HN 0.641 nan 8.290 nan 0.000 0.516 287 G N -0.673 107.892 108.800 -0.391 0.000 2.535 287 G HA2 0.598 4.558 3.960 0.000 0.000 0.282 287 G HA3 0.598 4.558 3.960 0.000 0.000 0.282 287 G C -0.507 174.192 174.900 -0.335 0.000 1.350 287 G CA -0.693 44.166 45.100 -0.402 0.000 1.039 287 G HN 0.300 nan 8.290 nan 0.000 0.509 288 F N -0.466 119.398 119.950 -0.144 0.000 2.492 288 F HA 0.386 4.913 4.527 0.000 0.000 0.327 288 F C 0.737 176.493 175.800 -0.073 0.000 1.079 288 F CA -0.664 57.268 58.000 -0.113 0.000 0.967 288 F CB 2.134 41.081 39.000 -0.087 0.000 1.169 288 F HN 0.516 nan 8.300 nan 0.000 0.472 289 Q N 0.854 120.657 119.800 0.004 0.000 2.221 289 Q HA 0.535 4.875 4.340 0.000 0.000 0.242 289 Q C 0.507 176.243 176.000 -0.440 0.000 0.940 289 Q CA -0.460 55.268 55.803 -0.125 0.000 0.896 289 Q CB 1.665 30.313 28.738 -0.151 0.000 1.226 289 Q HN 0.840 nan 8.270 nan 0.000 0.463 290 G N 1.309 109.607 108.800 -0.836 0.000 2.453 290 G HA2 0.041 4.001 3.960 0.000 0.000 0.215 290 G HA3 0.041 4.001 3.960 0.000 0.000 0.215 290 G C 0.317 174.739 174.900 -0.796 0.000 1.147 290 G CA -0.011 44.196 45.100 -1.489 0.000 0.802 290 G HN 0.497 nan 8.290 nan 0.000 0.535 291 R N -1.997 118.243 120.500 -0.433 0.000 2.739 291 R HA 0.358 4.698 4.340 0.000 0.000 0.271 291 R C -1.212 175.018 176.300 -0.116 0.000 1.010 291 R CA -0.859 55.151 56.100 -0.149 0.000 0.897 291 R CB 1.334 31.599 30.300 -0.060 0.000 1.236 291 R HN 0.071 nan 8.270 nan 0.000 0.466 292 C N 2.304 121.589 119.300 -0.025 0.000 2.596 292 C HA 0.031 4.491 4.460 0.000 0.000 0.414 292 C C 0.718 175.705 174.990 -0.006 0.000 1.396 292 C CA 0.644 59.641 59.018 -0.035 0.000 1.698 292 C CB -1.074 26.688 27.740 0.035 0.000 2.572 292 C HN 0.944 nan 8.230 nan 0.000 0.604 293 N N 2.322 121.009 118.700 -0.022 0.000 2.800 293 N HA -0.136 4.604 4.740 0.000 0.000 0.250 293 N C -0.398 175.110 175.510 -0.003 0.000 1.078 293 N CA 1.306 54.354 53.050 -0.003 0.000 0.804 293 N CB -0.728 37.774 38.487 0.026 0.000 1.135 293 N HN 0.794 nan 8.380 nan 0.000 0.565 294 K N -0.028 120.358 120.400 -0.024 0.000 2.303 294 K HA 0.556 4.876 4.320 0.000 0.000 0.233 294 K C 0.635 177.226 176.600 -0.015 0.000 1.046 294 K CA -0.783 55.498 56.287 -0.011 0.000 0.895 294 K CB 1.092 33.584 32.500 -0.014 0.000 1.220 294 K HN -0.061 nan 8.250 nan 0.000 0.470 295 L N 0.892 122.124 121.223 0.015 0.000 2.421 295 L HA 0.264 4.604 4.340 0.000 0.000 0.263 295 L C 0.576 177.471 176.870 0.041 0.000 1.122 295 L CA -0.781 54.075 54.840 0.027 0.000 0.804 295 L CB 0.949 43.039 42.059 0.050 0.000 1.150 295 L HN 0.259 nan 8.230 nan 0.000 0.457 296 V N 1.319 121.242 119.914 0.016 0.000 2.999 296 V HA 0.057 4.177 4.120 0.000 0.000 0.307 296 V C -0.443 175.732 176.094 0.134 0.000 1.084 296 V CA 0.563 62.861 62.300 -0.003 0.000 1.155 296 V CB 1.236 32.940 31.823 -0.199 0.000 0.975 296 V HN 0.876 nan 8.190 nan 0.000 0.490 297 D N 3.111 123.656 120.400 0.242 0.000 2.966 297 D HA 0.367 5.007 4.640 0.000 0.000 0.222 297 D C 0.731 177.235 176.300 0.341 0.000 1.292 297 D CA 0.191 54.384 54.000 0.321 0.000 0.907 297 D CB 1.828 42.865 40.800 0.396 0.000 1.621 297 D HN 0.590 nan 8.370 nan 0.000 0.557 298 G N 1.787 110.810 108.800 0.371 0.000 2.475 298 G HA2 -0.289 3.671 3.960 0.000 0.000 0.220 298 G HA3 -0.289 3.671 3.960 0.000 0.000 0.220 298 G C 1.744 176.761 174.900 0.196 0.000 1.125 298 G CA 1.394 46.704 45.100 0.350 0.000 0.755 298 G HN 0.742 nan 8.290 nan 0.000 0.565 299 C N -1.359 118.014 119.300 0.120 0.000 2.432 299 C HA 0.140 4.600 4.460 0.000 0.000 0.280 299 C C 2.334 177.197 174.990 -0.212 0.000 1.353 299 C CA 0.167 59.084 59.018 -0.168 0.000 1.766 299 C CB -1.619 25.881 27.740 -0.401 0.000 1.924 299 C HN 0.454 nan 8.230 nan 0.000 0.509 300 Y N 2.277 122.689 120.300 0.187 0.000 2.639 300 Y HA -0.053 4.497 4.550 0.000 0.000 0.297 300 Y C 2.711 178.569 175.900 -0.070 0.000 1.151 300 Y CA 0.832 58.999 58.100 0.112 0.000 1.335 300 Y CB -0.383 38.153 38.460 0.126 0.000 0.994 300 Y HN 0.355 nan 8.280 nan 0.000 0.548 301 S N -0.056 115.695 115.700 0.086 0.000 2.399 301 S HA -0.184 4.286 4.470 0.000 0.000 0.231 301 S C 1.603 176.100 174.600 -0.173 0.000 1.022 301 S CA 1.285 59.500 58.200 0.025 0.000 0.983 301 S CB -0.381 62.903 63.200 0.140 0.000 0.803 301 S HN 0.547 nan 8.310 nan 0.000 0.480 302 F N 0.727 120.496 119.950 -0.302 0.000 2.148 302 F HA 0.137 4.664 4.527 0.000 0.000 0.285 302 F C 1.714 177.219 175.800 -0.491 0.000 1.092 302 F CA 0.473 58.211 58.000 -0.436 0.000 1.218 302 F CB -0.736 37.967 39.000 -0.494 0.000 1.059 302 F HN 0.155 nan 8.300 nan 0.000 0.490 303 W N 0.999 122.077 121.300 -0.370 0.000 2.321 303 W HA -0.239 4.421 4.660 -0.000 0.000 0.306 303 W C 2.403 178.726 176.519 -0.328 0.000 1.217 303 W CA 1.207 58.332 57.345 -0.368 0.000 1.257 303 W CB -0.589 28.867 29.460 -0.006 0.000 1.145 303 W HN 0.111 nan 8.180 nan 0.000 0.509 304 Q N -0.357 119.311 119.800 -0.220 0.000 2.107 304 Q HA 0.053 4.393 4.340 0.000 0.000 0.195 304 Q C 2.449 177.904 176.000 -0.908 0.000 0.964 304 Q CA 1.413 56.902 55.803 -0.523 0.000 0.833 304 Q CB -1.146 27.153 28.738 -0.733 0.000 0.910 304 Q HN 0.309 nan 8.270 nan 0.000 0.465 305 A N 1.052 123.110 122.820 -1.270 0.000 2.015 305 A HA -0.015 4.305 4.320 0.000 0.000 0.219 305 A C 2.197 179.330 177.584 -0.751 0.000 1.163 305 A CA 1.457 52.738 52.037 -1.259 0.000 0.646 305 A CB -0.845 17.315 19.000 -1.400 0.000 0.806 305 A HN 0.427 nan 8.150 nan 0.000 0.448 306 G N -0.345 108.009 108.800 -0.743 0.000 2.509 306 G HA2 -0.078 3.882 3.960 0.000 0.000 0.218 306 G HA3 -0.078 3.882 3.960 0.000 0.000 0.218 306 G C 1.391 176.118 174.900 -0.288 0.000 1.124 306 G CA 0.825 45.527 45.100 -0.664 0.000 0.776 306 G HN 0.462 nan 8.290 nan 0.000 0.547 307 L N 0.031 121.119 121.223 -0.225 0.000 2.156 307 L HA 0.033 4.373 4.340 0.000 0.000 0.208 307 L C 2.586 179.399 176.870 -0.095 0.000 1.095 307 L CA 0.019 54.799 54.840 -0.100 0.000 0.770 307 L CB -0.218 41.821 42.059 -0.034 0.000 0.914 307 L HN 0.103 nan 8.230 nan 0.000 0.439 308 L N 0.081 121.227 121.223 -0.129 0.000 2.046 308 L HA -0.107 4.233 4.340 0.000 0.000 0.208 308 L C 0.059 176.872 176.870 -0.095 0.000 1.077 308 L CA 2.144 56.999 54.840 0.024 0.000 0.747 308 L CB -2.625 39.609 42.059 0.293 0.000 0.896 308 L HN 0.183 nan 8.230 nan 0.000 0.432 309 P HA -0.114 nan 4.420 nan 0.000 0.217 309 P C 2.243 179.451 177.300 -0.155 0.000 1.150 309 P CA 1.045 63.709 63.100 -0.726 0.000 0.832 309 P CB 0.075 31.181 31.700 -0.989 0.000 0.787 310 L N -1.630 119.523 121.223 -0.117 0.000 2.046 310 L HA -0.152 4.188 4.340 0.000 0.000 0.208 310 L C 2.410 179.299 176.870 0.031 0.000 1.077 310 L CA 1.325 56.140 54.840 -0.041 0.000 0.747 310 L CB -0.947 41.056 42.059 -0.093 0.000 0.896 310 L HN -0.029 nan 8.230 nan 0.000 0.432 311 L N -1.299 119.960 121.223 0.059 0.000 2.109 311 L HA -0.207 4.133 4.340 0.000 0.000 0.207 311 L C 2.582 179.552 176.870 0.168 0.000 1.086 311 L CA 1.008 55.908 54.840 0.101 0.000 0.760 311 L CB -0.557 41.569 42.059 0.110 0.000 0.910 311 L HN 0.246 nan 8.230 nan 0.000 0.437 312 H N 0.087 119.259 119.070 0.169 0.000 2.290 312 H HA -0.219 4.337 4.556 0.000 0.000 0.298 312 H C 2.519 177.971 175.328 0.207 0.000 1.087 312 H CA 2.082 58.287 56.048 0.261 0.000 1.291 312 H CB 0.129 30.169 29.762 0.464 0.000 1.369 312 H HN 0.061 nan 8.280 nan 0.000 0.492 313 R N 0.133 120.818 120.500 0.309 0.000 2.091 313 R HA -0.154 4.186 4.340 0.000 0.000 0.238 313 R C 2.344 178.746 176.300 0.170 0.000 1.136 313 R CA 1.298 57.523 56.100 0.209 0.000 0.959 313 R CB -0.422 29.956 30.300 0.129 0.000 0.856 313 R HN 0.415 nan 8.270 nan 0.000 0.437 314 A N 1.146 124.038 122.820 0.120 0.000 1.877 314 A HA -0.120 4.200 4.320 0.000 0.000 0.216 314 A C 2.241 179.873 177.584 0.081 0.000 1.186 314 A CA 1.265 53.352 52.037 0.084 0.000 0.620 314 A CB -0.556 18.475 19.000 0.053 0.000 0.822 314 A HN 0.354 nan 8.150 nan 0.000 0.443 315 L N -1.411 119.858 121.223 0.076 0.000 2.093 315 L HA -0.183 4.157 4.340 0.000 0.000 0.208 315 L C 2.708 179.609 176.870 0.052 0.000 1.085 315 L CA 1.480 56.347 54.840 0.044 0.000 0.755 315 L CB -0.685 41.385 42.059 0.018 0.000 0.904 315 L HN 0.609 nan 8.230 nan 0.000 0.435 316 H N 0.508 119.568 119.070 -0.016 0.000 2.389 316 H HA -0.120 4.436 4.556 0.000 0.000 0.299 316 H C 2.075 177.422 175.328 0.032 0.000 1.081 316 H CA 1.443 57.496 56.048 0.008 0.000 1.345 316 H CB 0.409 30.206 29.762 0.058 0.000 1.393 316 H HN 0.322 nan 8.280 nan 0.000 0.520 317 A N 0.650 123.539 122.820 0.115 0.000 2.067 317 A HA -0.127 4.193 4.320 0.000 0.000 0.219 317 A C 2.152 179.735 177.584 -0.001 0.000 1.158 317 A CA 1.145 53.221 52.037 0.065 0.000 0.661 317 A CB -0.286 18.771 19.000 0.095 0.000 0.801 317 A HN 0.564 nan 8.150 nan 0.000 0.452 318 Q N -1.208 118.588 119.800 -0.008 0.000 2.320 318 Q HA 0.271 4.611 4.340 0.000 0.000 0.201 318 Q C 0.762 176.733 176.000 -0.048 0.000 0.910 318 Q CA 0.187 55.980 55.803 -0.016 0.000 0.946 318 Q CB 0.138 28.876 28.738 0.000 0.000 1.062 318 Q HN 0.783 nan 8.270 nan 0.000 0.503 319 G N 2.483 111.219 108.800 -0.106 0.000 2.314 319 G HA2 -0.237 3.723 3.960 0.000 0.000 0.292 319 G HA3 -0.237 3.723 3.960 0.000 0.000 0.292 319 G C -0.557 174.289 174.900 -0.090 0.000 1.059 319 G CA 0.207 45.221 45.100 -0.144 0.000 0.982 319 G HN 0.333 nan 8.290 nan 0.000 0.505 320 D N 0.408 120.765 120.400 -0.070 0.000 2.371 320 D HA 0.282 4.922 4.640 0.000 0.000 0.256 320 D C 0.014 176.302 176.300 -0.020 0.000 1.193 320 D CA -1.309 52.673 54.000 -0.030 0.000 0.881 320 D CB 1.247 42.038 40.800 -0.016 0.000 1.143 320 D HN 0.242 nan 8.370 nan 0.000 0.473 321 P HA 0.092 nan 4.420 nan 0.000 0.239 321 P C 0.596 177.906 177.300 0.018 0.000 1.188 321 P CA 0.107 63.209 63.100 0.004 0.000 0.794 321 P CB 0.424 32.123 31.700 -0.001 0.000 0.937 322 A N -0.191 122.638 122.820 0.015 0.000 2.251 322 A HA 0.182 4.502 4.320 0.000 0.000 0.209 322 A C 1.108 178.710 177.584 0.030 0.000 1.187 322 A CA -0.160 51.889 52.037 0.020 0.000 0.823 322 A CB -0.844 18.167 19.000 0.018 0.000 0.846 322 A HN 0.142 nan 8.150 nan 0.000 0.486 323 L N 0.894 122.136 121.223 0.032 0.000 2.453 323 L HA 0.114 4.454 4.340 0.000 0.000 0.272 323 L C 1.149 178.087 176.870 0.112 0.000 1.182 323 L CA -0.297 54.567 54.840 0.040 0.000 0.858 323 L CB 1.012 43.026 42.059 -0.076 0.000 1.120 323 L HN 0.312 nan 8.230 nan 0.000 0.474 324 S N 2.960 118.753 115.700 0.154 0.000 2.573 324 S HA 0.122 4.592 4.470 0.000 0.000 0.277 324 S C 0.782 175.417 174.600 0.057 0.000 1.346 324 S CA -0.141 58.084 58.200 0.042 0.000 1.034 324 S CB 0.533 63.692 63.200 -0.068 0.000 0.879 324 S HN 0.632 nan 8.310 nan 0.000 0.528 325 M N 2.852 122.372 119.600 -0.134 0.000 2.313 325 M HA 0.125 4.605 4.480 0.000 0.000 0.273 325 M C 1.065 177.112 176.300 -0.422 0.000 1.049 325 M CA -0.048 55.201 55.300 -0.085 0.000 1.004 325 M CB 0.400 32.981 32.600 -0.030 0.000 1.461 325 M HN 0.807 nan 8.290 nan 0.000 0.514 326 S N -2.195 112.895 115.700 -1.016 0.000 2.648 326 S HA 0.220 4.690 4.470 0.000 0.000 0.270 326 S C 0.210 173.604 174.600 -2.009 0.000 1.082 326 S CA -0.408 56.969 58.200 -1.372 0.000 1.116 326 S CB 0.392 62.893 63.200 -1.164 0.000 1.040 326 S HN 0.430 nan 8.310 nan 0.000 0.572 327 H N -0.905 117.261 119.070 -1.507 0.000 2.821 327 H HA 0.580 5.136 4.556 0.000 0.000 0.373 327 H C -1.299 173.656 175.328 -0.622 0.000 1.165 327 H CA -0.872 54.590 56.048 -0.976 0.000 1.154 327 H CB 0.963 30.427 29.762 -0.497 0.000 1.765 327 H HN 0.301 nan 8.280 nan 0.000 0.549 328 W N 1.742 123.069 121.300 0.045 0.000 2.129 328 W HA 0.197 4.857 4.660 -0.000 0.000 0.349 328 W C 0.609 177.172 176.519 0.074 0.000 1.279 328 W CA -0.673 56.770 57.345 0.163 0.000 1.306 328 W CB 0.535 30.089 29.460 0.157 0.000 1.140 328 W HN 0.355 nan 8.180 nan 0.000 0.613 329 M N 3.403 123.316 119.600 0.522 0.000 3.435 329 M HA 0.141 4.621 4.480 0.000 0.000 0.205 329 M C -1.086 175.459 176.300 0.409 0.000 1.324 329 M CA 0.303 55.813 55.300 0.350 0.000 1.455 329 M CB -0.998 31.791 32.600 0.315 0.000 1.240 329 M HN 0.325 nan 8.290 nan 0.000 0.477 330 F N -3.739 116.361 119.950 0.250 0.000 2.662 330 F HA 0.420 4.947 4.527 0.000 0.000 0.312 330 F C -0.559 175.327 175.800 0.143 0.000 1.113 330 F CA -1.345 56.791 58.000 0.228 0.000 0.951 330 F CB 0.797 40.038 39.000 0.402 0.000 1.344 330 F HN -0.089 nan 8.300 nan 0.000 0.462 331 H N 2.836 121.969 119.070 0.105 0.000 3.205 331 H HA 0.175 4.731 4.556 0.000 0.000 0.262 331 H C 0.654 175.932 175.328 -0.083 0.000 1.333 331 H CA 0.824 56.793 56.048 -0.132 0.000 1.499 331 H CB 0.962 30.595 29.762 -0.216 0.000 1.609 331 H HN 0.869 nan 8.280 nan 0.000 0.498 332 Q N 2.581 122.212 119.800 -0.282 0.000 2.096 332 Q HA -0.223 4.117 4.340 0.000 0.000 0.204 332 Q C 2.179 178.251 176.000 0.120 0.000 0.982 332 Q CA 1.697 57.432 55.803 -0.114 0.000 0.850 332 Q CB 0.163 28.788 28.738 -0.187 0.000 0.901 332 Q HN 0.715 nan 8.270 nan 0.000 0.422 333 Q N 0.143 119.995 119.800 0.086 0.000 2.020 333 Q HA -0.199 4.141 4.340 0.000 0.000 0.202 333 Q C 2.027 178.093 176.000 0.110 0.000 0.982 333 Q CA 1.511 57.376 55.803 0.104 0.000 0.838 333 Q CB -0.206 28.576 28.738 0.072 0.000 0.899 333 Q HN 0.387 nan 8.270 nan 0.000 0.423 334 A N 0.702 123.560 122.820 0.063 0.000 1.972 334 A HA -0.165 4.155 4.320 0.000 0.000 0.219 334 A C 1.971 179.612 177.584 0.096 0.000 1.169 334 A CA 1.288 53.245 52.037 -0.134 0.000 0.635 334 A CB -0.648 18.012 19.000 -0.565 0.000 0.810 334 A HN 0.497 nan 8.150 nan 0.000 0.446 335 L N -0.156 121.202 121.223 0.225 0.000 2.027 335 L HA -0.165 4.175 4.340 0.000 0.000 0.206 335 L C 2.461 179.504 176.870 0.289 0.000 1.074 335 L CA 2.246 57.281 54.840 0.324 0.000 0.745 335 L CB -0.823 41.545 42.059 0.515 0.000 0.898 335 L HN 0.494 nan 8.230 nan 0.000 0.433 336 Q N -0.557 119.379 119.800 0.227 0.000 2.135 336 Q HA -0.252 4.088 4.340 0.000 0.000 0.204 336 Q C 2.084 178.155 176.000 0.117 0.000 0.981 336 Q CA 2.028 57.923 55.803 0.154 0.000 0.856 336 Q CB -0.199 28.603 28.738 0.107 0.000 0.902 336 Q HN 0.654 nan 8.270 nan 0.000 0.425 337 E N -0.149 120.115 120.200 0.107 0.000 2.051 337 E HA -0.212 4.138 4.350 0.000 0.000 0.192 337 E C 1.749 178.448 176.600 0.166 0.000 0.991 337 E CA 1.042 57.487 56.400 0.076 0.000 0.799 337 E CB -0.174 29.518 29.700 -0.013 0.000 0.748 337 E HN 0.338 nan 8.360 nan 0.000 0.449 338 Y N 1.454 121.835 120.300 0.135 0.000 2.145 338 Y HA -0.230 4.320 4.550 0.000 0.000 0.286 338 Y C 1.923 177.896 175.900 0.123 0.000 1.145 338 Y CA 1.507 59.710 58.100 0.171 0.000 1.148 338 Y CB -0.214 38.333 38.460 0.145 0.000 0.981 338 Y HN -0.052 nan 8.280 nan 0.000 0.507 339 I N -0.402 120.180 120.570 0.019 0.000 2.142 339 I HA -0.341 3.829 4.170 0.000 0.000 0.240 339 I C 2.349 178.417 176.117 -0.082 0.000 1.078 339 I CA 1.567 62.826 61.300 -0.068 0.000 1.343 339 I CB -0.573 37.467 38.000 0.068 0.000 1.046 339 I HN 0.213 nan 8.210 nan 0.000 0.405 340 L N -0.380 120.842 121.223 -0.001 0.000 2.046 340 L HA -0.211 4.129 4.340 0.000 0.000 0.208 340 L C 2.573 179.455 176.870 0.020 0.000 1.077 340 L CA 1.494 56.345 54.840 0.019 0.000 0.747 340 L CB -0.380 41.700 42.059 0.036 0.000 0.896 340 L HN 0.284 nan 8.230 nan 0.000 0.432 341 M N -1.926 117.692 119.600 0.031 0.000 2.357 341 M HA -0.093 4.387 4.480 0.000 0.000 0.266 341 M C 2.038 178.319 176.300 -0.032 0.000 1.095 341 M CA 1.049 56.398 55.300 0.081 0.000 1.156 341 M CB -0.051 32.690 32.600 0.235 0.000 1.365 341 M HN 0.358 nan 8.290 nan 0.000 0.447 342 C N -1.522 117.661 119.300 -0.195 0.000 2.820 342 C HA 0.125 4.585 4.460 0.000 0.000 0.323 342 C C 2.146 176.942 174.990 -0.323 0.000 1.279 342 C CA -0.430 58.398 59.018 -0.317 0.000 1.790 342 C CB -0.424 27.009 27.740 -0.511 0.000 2.328 342 C HN 0.575 nan 8.230 nan 0.000 0.579 343 C N 0.978 120.079 119.300 -0.332 0.000 2.855 343 C HA 0.170 4.630 4.460 0.000 0.000 0.279 343 C C 0.715 175.625 174.990 -0.134 0.000 1.270 343 C CA -0.144 58.732 59.018 -0.237 0.000 1.702 343 C CB -1.787 25.811 27.740 -0.237 0.000 1.949 343 C HN 0.613 nan 8.230 nan 0.000 0.618 344 Q N 0.389 120.138 119.800 -0.084 0.000 2.257 344 Q HA 0.314 4.654 4.340 0.000 0.000 0.255 344 Q C -0.349 175.635 176.000 -0.028 0.000 0.920 344 Q CA -0.096 55.706 55.803 -0.003 0.000 0.927 344 Q CB 1.641 30.429 28.738 0.083 0.000 1.229 344 Q HN 0.471 nan 8.270 nan 0.000 0.433 345 C N 4.655 123.937 119.300 -0.031 0.000 2.514 345 C HA 0.270 4.730 4.460 0.000 0.000 0.392 345 C C -1.192 173.764 174.990 -0.057 0.000 1.294 345 C CA -1.731 57.239 59.018 -0.080 0.000 1.957 345 C CB 0.027 27.671 27.740 -0.159 0.000 2.541 345 C HN 0.737 nan 8.230 nan 0.000 0.569 346 P HA -0.064 nan 4.420 nan 0.000 0.216 346 P C 1.140 178.395 177.300 -0.075 0.000 1.150 346 P CA 2.010 65.071 63.100 -0.064 0.000 0.837 346 P CB 0.015 31.681 31.700 -0.057 0.000 0.786 347 A N -1.098 121.673 122.820 -0.081 0.000 2.235 347 A HA 0.449 4.769 4.320 0.000 0.000 0.208 347 A C 1.029 178.570 177.584 -0.072 0.000 1.172 347 A CA 0.784 52.779 52.037 -0.070 0.000 0.786 347 A CB -1.108 17.855 19.000 -0.061 0.000 0.804 347 A HN 0.337 nan 8.150 nan 0.000 0.479 348 G N -2.729 106.012 108.800 -0.099 0.000 2.674 348 G HA2 0.540 4.500 3.960 0.000 0.000 0.686 348 G HA3 0.540 4.500 3.960 0.000 0.000 0.686 348 G C 0.381 175.129 174.900 -0.253 0.000 1.195 348 G CA -0.234 44.847 45.100 -0.031 0.000 0.776 348 G HN 2.439 nan 8.290 nan 0.000 0.654 349 G N -0.982 107.868 108.800 0.083 0.000 2.662 349 G HA2 0.382 4.342 3.960 0.000 0.000 0.686 349 G HA3 0.382 4.342 3.960 0.000 0.000 0.686 349 G C -0.687 174.071 174.900 -0.236 0.000 1.271 349 G CA 0.041 44.939 45.100 -0.337 0.000 0.816 349 G HN 1.674 nan 8.290 nan 0.000 0.608 350 L N -0.184 120.903 121.223 -0.226 0.000 2.303 350 L HA 0.960 5.300 4.340 0.000 0.000 0.266 350 L C 0.384 177.184 176.870 -0.118 0.000 1.011 350 L CA -0.961 53.773 54.840 -0.176 0.000 0.818 350 L CB 1.873 43.810 42.059 -0.203 0.000 1.326 350 L HN 0.938 nan 8.230 nan 0.000 0.435 351 L N -2.701 118.447 121.223 -0.125 0.000 2.397 351 L HA 0.689 5.029 4.340 0.000 0.000 0.251 351 L C 0.400 177.122 176.870 -0.247 0.000 1.064 351 L CA -0.723 53.994 54.840 -0.206 0.000 0.859 351 L CB 0.701 42.640 42.059 -0.201 0.000 1.468 351 L HN 0.468 nan 8.230 nan 0.000 0.411 352 D N 0.337 120.429 120.400 -0.514 0.000 2.078 352 D HA -0.096 4.544 4.640 0.000 0.000 0.193 352 D C 0.077 176.375 176.300 -0.003 0.000 0.990 352 D CA 2.219 56.035 54.000 -0.306 0.000 0.827 352 D CB 0.345 40.909 40.800 -0.393 0.000 0.975 352 D HN 0.725 nan 8.370 nan 0.000 0.451 353 K N -1.996 118.380 120.400 -0.039 0.000 2.578 353 K HA 0.539 4.859 4.320 0.000 0.000 0.287 353 K C -3.033 173.541 176.600 -0.043 0.000 1.010 353 K CA -1.763 54.547 56.287 0.038 0.000 0.889 353 K CB 1.350 33.928 32.500 0.131 0.000 1.514 353 K HN -0.283 nan 8.250 nan 0.000 0.424 354 P HA 0.057 nan 4.420 nan 0.000 0.265 354 P C 0.452 177.723 177.300 -0.047 0.000 1.193 354 P CA 1.433 64.493 63.100 -0.066 0.000 0.765 354 P CB 0.599 32.256 31.700 -0.072 0.000 0.823 355 G N 1.101 109.868 108.800 -0.055 0.000 2.194 355 G HA2 -0.178 3.782 3.960 0.000 0.000 0.236 355 G HA3 -0.178 3.782 3.960 0.000 0.000 0.236 355 G C 0.158 175.028 174.900 -0.049 0.000 0.987 355 G CA -0.259 44.815 45.100 -0.044 0.000 0.635 355 G HN 0.489 nan 8.290 nan 0.000 0.520 356 K N 0.856 121.215 120.400 -0.068 0.000 2.095 356 K HA 0.671 4.991 4.320 0.000 0.000 0.252 356 K C 0.163 176.705 176.600 -0.096 0.000 0.977 356 K CA -0.374 55.862 56.287 -0.084 0.000 0.900 356 K CB 1.474 33.902 32.500 -0.121 0.000 1.060 356 K HN 0.160 nan 8.250 nan 0.000 0.449 357 S N 1.486 117.132 115.700 -0.089 0.000 2.562 357 S HA 0.222 4.691 4.470 0.000 0.000 0.275 357 S C 0.289 174.827 174.600 -0.104 0.000 1.281 357 S CA -0.817 57.333 58.200 -0.083 0.000 1.045 357 S CB 0.851 64.019 63.200 -0.052 0.000 0.962 357 S HN 0.496 nan 8.310 nan 0.000 0.503 358 R N 1.099 121.524 120.500 -0.124 0.000 2.784 358 R HA 0.363 4.703 4.340 0.000 0.000 0.266 358 R C -0.992 175.279 176.300 -0.047 0.000 1.044 358 R CA -0.240 55.767 56.100 -0.155 0.000 1.151 358 R CB -0.244 29.853 30.300 -0.339 0.000 1.037 358 R HN 0.753 nan 8.270 nan 0.000 0.478 359 D N -0.364 120.045 120.400 0.015 0.000 2.648 359 D HA 0.119 4.759 4.640 0.000 0.000 0.244 359 D C -0.334 175.997 176.300 0.052 0.000 1.244 359 D CA -0.811 53.258 54.000 0.115 0.000 0.772 359 D CB 0.103 41.020 40.800 0.196 0.000 1.379 359 D HN 0.370 nan 8.370 nan 0.000 0.428 360 F N -0.555 119.587 119.950 0.320 0.000 2.269 360 F HA -0.057 4.470 4.527 0.000 0.000 0.301 360 F C 1.944 177.642 175.800 -0.169 0.000 1.082 360 F CA 0.726 58.811 58.000 0.142 0.000 1.360 360 F CB -0.373 38.748 39.000 0.202 0.000 1.041 360 F HN 0.491 nan 8.300 nan 0.000 0.512 361 Y N 0.512 120.494 120.300 -0.530 0.000 2.133 361 Y HA -0.260 4.290 4.550 0.000 0.000 0.287 361 Y C 2.437 178.012 175.900 -0.542 0.000 1.134 361 Y CA 1.976 59.371 58.100 -1.174 0.000 1.133 361 Y CB -0.919 36.777 38.460 -1.273 0.000 0.987 361 Y HN 0.047 nan 8.280 nan 0.000 0.502 362 H N -1.018 117.867 119.070 -0.309 0.000 2.423 362 H HA -0.084 4.472 4.556 0.000 0.000 0.297 362 H C 2.164 177.333 175.328 -0.266 0.000 1.075 362 H CA 1.925 57.800 56.048 -0.287 0.000 1.342 362 H CB -0.356 29.343 29.762 -0.106 0.000 1.395 362 H HN 0.311 nan 8.280 nan 0.000 0.530 363 T N -0.419 114.072 114.554 -0.106 0.000 2.708 363 T HA -0.249 4.101 4.350 0.000 0.000 0.266 363 T C 2.362 176.928 174.700 -0.224 0.000 1.037 363 T CA 1.335 63.361 62.100 -0.124 0.000 1.146 363 T CB -0.762 68.123 68.868 0.029 0.000 0.865 363 T HN 0.571 nan 8.240 nan 0.000 0.435 364 C N 0.717 119.826 119.300 -0.318 0.000 2.413 364 C HA -0.134 4.326 4.460 0.000 0.000 0.277 364 C C 2.384 176.964 174.990 -0.682 0.000 1.228 364 C CA 0.635 59.354 59.018 -0.499 0.000 1.731 364 C CB -1.469 25.926 27.740 -0.574 0.000 2.042 364 C HN 0.649 nan 8.230 nan 0.000 0.468 365 Y N -0.130 119.880 120.300 -0.484 0.000 2.337 365 Y HA -0.002 4.548 4.550 0.000 0.000 0.293 365 Y C 2.862 178.595 175.900 -0.278 0.000 1.123 365 Y CA 1.341 59.143 58.100 -0.497 0.000 1.201 365 Y CB -0.748 37.233 38.460 -0.798 0.000 1.011 365 Y HN 0.381 nan 8.280 nan 0.000 0.545 366 C N 0.062 119.288 119.300 -0.123 0.000 2.432 366 C HA -0.157 4.303 4.460 0.000 0.000 0.277 366 C C 2.682 177.640 174.990 -0.053 0.000 1.249 366 C CA 0.960 59.951 59.018 -0.046 0.000 1.725 366 C CB -1.240 26.468 27.740 -0.054 0.000 2.028 366 C HN 0.523 nan 8.230 nan 0.000 0.477 367 L N 0.472 121.620 121.223 -0.125 0.000 2.093 367 L HA -0.112 4.228 4.340 0.000 0.000 0.208 367 L C 2.647 179.476 176.870 -0.068 0.000 1.085 367 L CA 1.286 56.060 54.840 -0.109 0.000 0.755 367 L CB -0.691 41.265 42.059 -0.171 0.000 0.904 367 L HN 0.310 nan 8.230 nan 0.000 0.435 368 S N 0.267 115.901 115.700 -0.109 0.000 2.356 368 S HA -0.147 4.323 4.470 0.000 0.000 0.223 368 S C 2.039 176.747 174.600 0.179 0.000 1.032 368 S CA 1.380 59.580 58.200 -0.000 0.000 1.005 368 S CB -0.687 62.379 63.200 -0.224 0.000 0.867 368 S HN 0.603 nan 8.310 nan 0.000 0.449 369 G N 1.407 110.305 108.800 0.163 0.000 2.422 369 G HA2 -0.136 3.824 3.960 0.000 0.000 0.218 369 G HA3 -0.136 3.824 3.960 0.000 0.000 0.218 369 G C 1.380 176.382 174.900 0.170 0.000 1.140 369 G CA 0.707 45.898 45.100 0.153 0.000 0.775 369 G HN 0.391 nan 8.290 nan 0.000 0.545 370 L N 0.990 122.291 121.223 0.131 0.000 2.017 370 L HA 0.037 4.377 4.340 0.000 0.000 0.208 370 L C 2.893 179.851 176.870 0.147 0.000 1.073 370 L CA 2.377 57.295 54.840 0.130 0.000 0.745 370 L CB -0.832 41.271 42.059 0.072 0.000 0.894 370 L HN 0.216 nan 8.230 nan 0.000 0.432 371 S N -0.721 115.075 115.700 0.160 0.000 2.370 371 S HA -0.182 4.288 4.470 0.000 0.000 0.226 371 S C 2.065 176.866 174.600 0.335 0.000 1.033 371 S CA 1.714 60.062 58.200 0.246 0.000 1.011 371 S CB -0.418 62.929 63.200 0.245 0.000 0.852 371 S HN 0.481 nan 8.310 nan 0.000 0.457 372 I N 1.332 122.093 120.570 0.319 0.000 2.179 372 I HA -0.172 3.998 4.170 0.000 0.000 0.242 372 I C 2.721 179.161 176.117 0.539 0.000 1.088 372 I CA 1.198 62.715 61.300 0.363 0.000 1.357 372 I CB -0.501 37.609 38.000 0.184 0.000 1.051 372 I HN 0.379 nan 8.210 nan 0.000 0.409 373 A N -0.187 122.931 122.820 0.496 0.000 2.015 373 A HA -0.218 4.102 4.320 0.000 0.000 0.219 373 A C 2.197 179.937 177.584 0.261 0.000 1.163 373 A CA 1.394 53.746 52.037 0.525 0.000 0.646 373 A CB -0.399 18.886 19.000 0.475 0.000 0.806 373 A HN 0.496 nan 8.150 nan 0.000 0.448 374 Q N -1.078 118.789 119.800 0.112 0.000 2.204 374 Q HA 0.005 4.345 4.340 0.000 0.000 0.198 374 Q C -0.149 175.706 176.000 -0.242 0.000 0.946 374 Q CA 0.561 56.263 55.803 -0.169 0.000 0.859 374 Q CB 0.143 28.622 28.738 -0.432 0.000 0.946 374 Q HN 0.715 nan 8.270 nan 0.000 0.474 375 H N -0.423 118.788 119.070 0.234 0.000 2.638 375 H HA 0.178 4.734 4.556 0.000 0.000 0.303 375 H C -1.354 174.144 175.328 0.283 0.000 1.034 375 H CA -0.523 55.645 56.048 0.200 0.000 1.225 375 H CB 0.124 29.991 29.762 0.175 0.000 1.394 375 H HN 0.058 nan 8.280 nan 0.000 0.477 376 F N 2.186 122.083 119.950 -0.087 0.000 2.399 376 F HA 0.593 5.120 4.527 0.000 0.000 0.334 376 F C 0.015 175.605 175.800 -0.350 0.000 1.097 376 F CA -0.261 57.349 58.000 -0.651 0.000 1.076 376 F CB 1.643 40.023 39.000 -1.033 0.000 1.162 376 F HN 0.538 nan 8.300 nan 0.000 0.495 377 G N 2.306 110.189 108.800 -1.529 0.000 2.728 377 G HA2 0.449 4.409 3.960 0.000 0.000 0.294 377 G HA3 0.449 4.409 3.960 0.000 0.000 0.294 377 G C -1.931 172.382 174.900 -0.978 0.000 1.398 377 G CA -0.690 43.873 45.100 -0.896 0.000 1.183 377 G HN 0.742 nan 8.290 nan 0.000 0.578 378 S N 1.354 116.674 115.700 -0.635 0.000 2.423 378 S HA 0.585 5.055 4.470 0.000 0.000 0.213 378 S C 1.007 175.491 174.600 -0.195 0.000 1.131 378 S CA 0.911 58.893 58.200 -0.364 0.000 1.155 378 S CB -0.148 62.931 63.200 -0.201 0.000 1.202 378 S HN 2.586 nan 8.310 nan 0.000 0.441 379 G N 4.027 112.730 108.800 -0.162 0.000 2.687 379 G HA2 -0.326 3.634 3.960 0.000 0.000 0.303 379 G HA3 -0.326 3.634 3.960 0.000 0.000 0.303 379 G C 1.216 176.102 174.900 -0.023 0.000 1.209 379 G CA 0.478 45.541 45.100 -0.060 0.000 0.968 379 G HN 1.645 nan 8.290 nan 0.000 0.549 380 A N -0.254 122.573 122.820 0.012 0.000 1.975 380 A HA 0.491 4.811 4.320 0.000 0.000 0.215 380 A C 1.511 179.106 177.584 0.018 0.000 1.170 380 A CA 1.852 53.902 52.037 0.021 0.000 0.656 380 A CB -0.228 18.795 19.000 0.038 0.000 0.821 380 A HN 0.614 nan 8.150 nan 0.000 0.449 381 M N 0.770 120.387 119.600 0.028 0.000 2.228 381 M HA 0.373 4.853 4.480 0.000 0.000 0.351 381 M C -0.925 175.398 176.300 0.038 0.000 1.233 381 M CA 0.009 55.349 55.300 0.066 0.000 1.129 381 M CB 0.433 33.134 32.600 0.168 0.000 1.604 381 M HN 0.017 nan 8.290 nan 0.000 0.457 382 L N 3.673 124.945 121.223 0.081 0.000 2.516 382 L HA 0.388 4.728 4.340 0.000 0.000 0.267 382 L C -1.192 175.772 176.870 0.156 0.000 0.957 382 L CA -0.223 54.664 54.840 0.078 0.000 0.860 382 L CB 1.496 43.574 42.059 0.032 0.000 1.265 382 L HN 0.807 nan 8.230 nan 0.000 0.403 383 H N 1.631 120.732 119.070 0.050 0.000 3.017 383 H HA 0.580 5.136 4.556 0.000 0.000 0.340 383 H C -1.415 173.883 175.328 -0.051 0.000 1.014 383 H CA -0.320 55.689 56.048 -0.065 0.000 1.341 383 H CB 1.435 31.039 29.762 -0.263 0.000 1.739 383 H HN 0.451 nan 8.280 nan 0.000 0.506 384 D N 3.523 123.649 120.400 -0.456 0.000 2.163 384 D HA 0.373 5.013 4.640 0.000 0.000 0.248 384 D C -0.535 175.484 176.300 -0.468 0.000 1.035 384 D CA -0.404 53.399 54.000 -0.328 0.000 0.872 384 D CB 2.335 43.054 40.800 -0.136 0.000 1.183 384 D HN 0.223 nan 8.370 nan 0.000 0.445 385 V N 2.346 122.099 119.914 -0.270 0.000 2.325 385 V HA 0.240 4.360 4.120 0.000 0.000 0.280 385 V C -0.293 175.729 176.094 -0.121 0.000 1.016 385 V CA -0.736 61.467 62.300 -0.161 0.000 0.818 385 V CB 1.623 33.416 31.823 -0.050 0.000 1.019 385 V HN 0.277 nan 8.190 nan 0.000 0.434 386 V N 5.760 125.610 119.914 -0.105 0.000 2.293 386 V HA 0.416 4.536 4.120 0.000 0.000 0.275 386 V C 0.281 176.347 176.094 -0.047 0.000 1.021 386 V CA -0.517 61.737 62.300 -0.078 0.000 0.815 386 V CB 1.292 33.070 31.823 -0.075 0.000 1.025 386 V HN 0.692 nan 8.190 nan 0.000 0.448 387 M N 3.142 122.725 119.600 -0.029 0.000 2.243 387 M HA 0.483 4.963 4.480 0.000 0.000 0.341 387 M C 1.130 177.416 176.300 -0.024 0.000 1.130 387 M CA 1.037 56.324 55.300 -0.023 0.000 1.162 387 M CB 0.293 32.889 32.600 -0.008 0.000 1.497 387 M HN 0.926 nan 8.290 nan 0.000 0.456 388 G N 1.380 110.160 108.800 -0.035 0.000 2.562 388 G HA2 -0.163 3.797 3.960 0.000 0.000 0.250 388 G HA3 -0.163 3.797 3.960 0.000 0.000 0.250 388 G C -0.240 174.643 174.900 -0.028 0.000 1.269 388 G CA -0.226 44.853 45.100 -0.036 0.000 0.919 388 G HN 1.247 nan 8.290 nan 0.000 0.574 389 V N -0.661 119.240 119.914 -0.021 0.000 2.694 389 V HA 0.421 4.541 4.120 0.000 0.000 0.306 389 V C -0.007 176.079 176.094 -0.014 0.000 1.054 389 V CA 0.240 62.530 62.300 -0.017 0.000 1.161 389 V CB 0.910 32.725 31.823 -0.012 0.000 0.916 389 V HN 0.782 nan 8.190 nan 0.000 0.490 390 P HA -0.109 nan 4.420 nan 0.000 0.221 390 P C 1.026 178.324 177.300 -0.004 0.000 1.145 390 P CA 1.265 64.358 63.100 -0.012 0.000 0.795 390 P CB 0.248 31.941 31.700 -0.012 0.000 0.775 391 E N -0.252 119.947 120.200 -0.002 0.000 2.401 391 E HA -0.110 4.240 4.350 0.000 0.000 0.199 391 E C 1.605 178.212 176.600 0.012 0.000 1.023 391 E CA 0.504 56.905 56.400 0.003 0.000 0.859 391 E CB -0.888 28.811 29.700 -0.002 0.000 0.780 391 E HN 0.268 nan 8.360 nan 0.000 0.523 392 N N 0.167 118.873 118.700 0.010 0.000 2.396 392 N HA -0.068 4.672 4.740 0.000 0.000 0.180 392 N C 0.233 175.757 175.510 0.023 0.000 1.028 392 N CA 0.188 53.250 53.050 0.019 0.000 0.893 392 N CB -0.038 38.456 38.487 0.011 0.000 0.967 392 N HN 0.085 nan 8.380 nan 0.000 0.440 393 V N 2.375 122.301 119.914 0.020 0.000 2.539 393 V HA -0.055 4.065 4.120 0.000 0.000 0.300 393 V C 0.204 176.356 176.094 0.096 0.000 1.019 393 V CA 0.221 62.547 62.300 0.042 0.000 1.160 393 V CB -0.260 31.597 31.823 0.057 0.000 0.901 393 V HN 0.051 nan 8.190 nan 0.000 0.481 394 L N 5.892 127.209 121.223 0.158 0.000 2.400 394 L HA 0.513 4.853 4.340 0.000 0.000 0.264 394 L C 0.160 177.176 176.870 0.243 0.000 1.061 394 L CA -0.998 53.942 54.840 0.167 0.000 0.799 394 L CB 1.194 43.329 42.059 0.128 0.000 1.240 394 L HN 0.486 nan 8.230 nan 0.000 0.461 395 Q N 1.912 121.772 119.800 0.099 0.000 2.373 395 Q HA 0.227 4.567 4.340 0.000 0.000 0.255 395 Q C -2.199 173.810 176.000 0.015 0.000 0.980 395 Q CA -1.649 54.169 55.803 0.026 0.000 0.882 395 Q CB 0.408 29.148 28.738 0.003 0.000 1.249 395 Q HN 0.242 nan 8.270 nan 0.000 0.438 396 P HA 0.064 nan 4.420 nan 0.000 0.272 396 P C -0.431 176.929 177.300 0.100 0.000 1.240 396 P CA -0.167 62.889 63.100 -0.073 0.000 0.791 396 P CB 0.807 32.375 31.700 -0.220 0.000 0.978 397 T N -0.072 114.594 114.554 0.186 0.000 2.876 397 T HA 0.190 4.540 4.350 0.000 0.000 0.289 397 T C -0.706 174.157 174.700 0.271 0.000 1.014 397 T CA -0.510 61.748 62.100 0.264 0.000 0.986 397 T CB 0.296 69.354 68.868 0.317 0.000 1.021 397 T HN 0.364 nan 8.240 nan 0.000 0.458 398 H N 6.011 125.226 119.070 0.242 0.000 2.899 398 H HA 0.209 4.765 4.556 0.000 0.000 0.303 398 H C -1.571 173.948 175.328 0.318 0.000 1.042 398 H CA -1.610 54.597 56.048 0.265 0.000 1.479 398 H CB 1.786 31.739 29.762 0.319 0.000 1.493 398 H HN 0.444 nan 8.280 nan 0.000 0.534 399 P HA -0.125 nan 4.420 nan 0.000 0.225 399 P C 1.341 178.947 177.300 0.511 0.000 1.148 399 P CA 0.487 63.777 63.100 0.316 0.000 0.779 399 P CB 0.626 32.344 31.700 0.031 0.000 0.780 400 V N -1.353 118.886 119.914 0.541 0.000 2.331 400 V HA -0.139 3.981 4.120 0.000 0.000 0.242 400 V C 2.271 178.596 176.094 0.385 0.000 1.034 400 V CA 1.639 64.119 62.300 0.300 0.000 1.027 400 V CB -1.254 30.548 31.823 -0.035 0.000 0.667 400 V HN -0.015 nan 8.190 nan 0.000 0.457 401 Y N -0.678 119.964 120.300 0.569 0.000 2.510 401 Y HA 0.236 4.786 4.550 0.000 0.000 0.273 401 Y C 1.416 177.531 175.900 0.360 0.000 1.119 401 Y CA 0.299 58.646 58.100 0.411 0.000 1.286 401 Y CB -0.022 38.498 38.460 0.099 0.000 1.061 401 Y HN 0.366 nan 8.280 nan 0.000 0.542 402 N N 1.025 119.996 118.700 0.451 0.000 2.738 402 N HA -0.204 4.536 4.740 0.000 0.000 0.249 402 N C -0.891 174.520 175.510 -0.165 0.000 1.047 402 N CA 0.958 54.052 53.050 0.073 0.000 0.707 402 N CB -1.441 36.853 38.487 -0.322 0.000 0.937 402 N HN 0.635 nan 8.380 nan 0.000 0.545 403 I N -4.346 116.290 120.570 0.109 0.000 3.074 403 I HA 0.739 4.909 4.170 0.000 0.000 0.310 403 I C 0.955 177.225 176.117 0.255 0.000 1.153 403 I CA -1.013 60.365 61.300 0.130 0.000 0.993 403 I CB 1.630 39.696 38.000 0.110 0.000 1.237 403 I HN 0.003 nan 8.210 nan 0.000 0.443 404 G N 2.740 111.682 108.800 0.237 0.000 2.265 404 G HA2 0.252 4.212 3.960 0.000 0.000 0.240 404 G HA3 0.252 4.212 3.960 0.000 0.000 0.240 404 G C -1.871 173.145 174.900 0.194 0.000 1.270 404 G CA -0.661 44.555 45.100 0.193 0.000 0.901 404 G HN 0.624 nan 8.290 nan 0.000 0.507 405 P HA -0.143 nan 4.420 nan 0.000 0.217 405 P C 1.547 178.946 177.300 0.165 0.000 1.148 405 P CA 1.530 64.792 63.100 0.270 0.000 0.828 405 P CB 0.195 32.026 31.700 0.219 0.000 0.783 406 D N -0.324 120.142 120.400 0.110 0.000 2.144 406 D HA -0.169 4.471 4.640 0.000 0.000 0.200 406 D C 1.423 177.764 176.300 0.069 0.000 0.978 406 D CA 1.201 55.246 54.000 0.076 0.000 0.833 406 D CB -0.601 40.232 40.800 0.055 0.000 0.961 406 D HN 0.103 nan 8.370 nan 0.000 0.470 407 K N 0.849 121.293 120.400 0.072 0.000 2.097 407 K HA 0.003 4.323 4.320 0.000 0.000 0.205 407 K C 2.508 179.122 176.600 0.024 0.000 1.050 407 K CA 0.306 56.631 56.287 0.063 0.000 0.938 407 K CB -0.684 31.855 32.500 0.065 0.000 0.718 407 K HN 0.183 nan 8.250 nan 0.000 0.442 408 V N 2.079 121.983 119.914 -0.016 0.000 2.237 408 V HA -0.233 3.887 4.120 0.000 0.000 0.245 408 V C 2.439 178.489 176.094 -0.074 0.000 1.046 408 V CA 1.573 63.782 62.300 -0.152 0.000 1.007 408 V CB -0.469 31.212 31.823 -0.237 0.000 0.638 408 V HN 0.148 nan 8.190 nan 0.000 0.445 409 I N -0.348 120.228 120.570 0.010 0.000 2.118 409 I HA -0.374 3.796 4.170 0.000 0.000 0.241 409 I C 2.721 178.848 176.117 0.017 0.000 1.070 409 I CA 2.184 63.501 61.300 0.029 0.000 1.327 409 I CB -0.416 37.619 38.000 0.058 0.000 1.034 409 I HN 0.400 nan 8.210 nan 0.000 0.405 410 Q N 0.561 120.382 119.800 0.035 0.000 2.050 410 Q HA -0.233 4.107 4.340 0.000 0.000 0.202 410 Q C 2.327 178.322 176.000 -0.008 0.000 0.980 410 Q CA 1.965 57.799 55.803 0.050 0.000 0.840 410 Q CB -0.108 28.694 28.738 0.107 0.000 0.898 410 Q HN 0.575 nan 8.270 nan 0.000 0.424 411 A N 0.288 123.103 122.820 -0.010 0.000 1.873 411 A HA -0.199 4.121 4.320 0.000 0.000 0.215 411 A C 2.269 179.822 177.584 -0.052 0.000 1.186 411 A CA 2.116 54.067 52.037 -0.142 0.000 0.616 411 A CB -1.242 17.795 19.000 0.062 0.000 0.823 411 A HN 0.672 nan 8.150 nan 0.000 0.442 412 T N -2.910 111.631 114.554 -0.023 0.000 2.746 412 T HA -0.163 4.188 4.350 0.000 0.000 0.267 412 T C 1.823 176.522 174.700 -0.000 0.000 1.039 412 T CA 2.222 64.327 62.100 0.008 0.000 1.142 412 T CB -1.178 67.680 68.868 -0.016 0.000 0.866 412 T HN 0.318 nan 8.240 nan 0.000 0.444 413 T N 0.774 115.312 114.554 -0.027 0.000 2.746 413 T HA -0.111 4.239 4.350 0.000 0.000 0.267 413 T C 1.725 176.368 174.700 -0.095 0.000 1.039 413 T CA 1.812 63.890 62.100 -0.038 0.000 1.142 413 T CB -0.602 68.256 68.868 -0.016 0.000 0.866 413 T HN 0.794 nan 8.240 nan 0.000 0.444 414 H N 0.173 119.063 119.070 -0.300 0.000 2.326 414 H HA 0.014 4.570 4.556 0.000 0.000 0.301 414 H C 1.734 176.768 175.328 -0.489 0.000 1.081 414 H CA 1.567 57.321 56.048 -0.491 0.000 1.334 414 H CB -0.443 28.755 29.762 -0.941 0.000 1.385 414 H HN 0.406 nan 8.280 nan 0.000 0.504 415 F N -0.174 119.650 119.950 -0.210 0.000 2.407 415 F HA 0.001 4.528 4.527 0.000 0.000 0.299 415 F C 2.060 177.768 175.800 -0.153 0.000 1.097 415 F CA 0.285 58.175 58.000 -0.184 0.000 1.422 415 F CB 0.030 38.969 39.000 -0.102 0.000 1.067 415 F HN 0.141 nan 8.300 nan 0.000 0.539 416 L N 0.026 121.252 121.223 0.005 0.000 2.362 416 L HA -0.181 4.159 4.340 0.000 0.000 0.219 416 L C 1.778 178.615 176.870 -0.055 0.000 1.134 416 L CA 0.899 55.733 54.840 -0.010 0.000 0.807 416 L CB -0.491 41.565 42.059 -0.005 0.000 0.927 416 L HN 0.278 nan 8.230 nan 0.000 0.447 417 Q N -0.617 119.104 119.800 -0.131 0.000 2.365 417 Q HA 0.077 4.417 4.340 0.000 0.000 0.203 417 Q C 0.003 175.928 176.000 -0.124 0.000 0.929 417 Q CA 0.356 56.077 55.803 -0.137 0.000 0.948 417 Q CB 0.048 28.677 28.738 -0.181 0.000 1.043 417 Q HN 0.215 nan 8.270 nan 0.000 0.505 418 K N 1.744 122.089 120.400 -0.091 0.000 2.259 418 K HA 0.416 4.736 4.320 0.000 0.000 0.252 418 K C -2.598 173.999 176.600 -0.005 0.000 0.936 418 K CA -2.486 53.778 56.287 -0.040 0.000 0.810 418 K CB 1.576 34.078 32.500 0.004 0.000 1.143 418 K HN -0.104 nan 8.250 nan 0.000 0.427 419 P HA 0.080 nan 4.420 nan 0.000 0.276 419 P C -0.539 176.769 177.300 0.013 0.000 1.244 419 P CA -0.547 62.553 63.100 0.001 0.000 0.801 419 P CB 0.641 32.337 31.700 -0.007 0.000 1.006 420 V N 3.911 123.831 119.914 0.010 0.000 2.540 420 V HA 0.038 4.158 4.120 0.000 0.000 0.297 420 V C -1.706 174.395 176.094 0.012 0.000 1.024 420 V CA -0.738 61.572 62.300 0.017 0.000 1.105 420 V CB -0.656 31.175 31.823 0.014 0.000 0.938 420 V HN 0.610 nan 8.190 nan 0.000 0.482 421 P HA 0.167 nan 4.420 nan 0.000 0.267 421 P C 0.399 177.712 177.300 0.021 0.000 1.200 421 P CA 0.296 63.420 63.100 0.039 0.000 0.772 421 P CB 0.453 32.195 31.700 0.070 0.000 0.855 422 G N 1.450 110.249 108.800 -0.001 0.000 2.563 422 G HA2 0.405 4.365 3.960 0.000 0.000 0.283 422 G HA3 0.405 4.365 3.960 0.000 0.000 0.283 422 G C -0.343 174.605 174.900 0.080 0.000 1.309 422 G CA -0.778 44.281 45.100 -0.069 0.000 1.022 422 G HN 0.371 nan 8.290 nan 0.000 0.501 423 F N 0.000 119.942 119.950 -0.013 0.000 2.286 423 F HA 0.000 4.527 4.527 0.000 0.000 0.279 423 F CA 0.000 57.975 58.000 -0.041 0.000 1.383 423 F CB 0.000 38.955 39.000 -0.075 0.000 1.145 423 F HN 0.000 nan 8.300 nan 0.000 0.574