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 1e7a_1_A DATA FIRST_RESID 5 DATA SEQUENCE SEVAHRFKDL GEENFKALVL IAFAQYLQQC PFEDHVKLVN EVTEFAKTcV DATA SEQUENCE ADESAENcDK SLHTLFGDKL cTVATLRETY GEMADccAKQ EPERNEcFLQ DATA SEQUENCE HKDDNPNLPR LVRPEVDVMc TAFHDNEETF LKKYLYEIAR RHPYFYAPEL DATA SEQUENCE LFFAKRYKAA FTEccQAADK AAcLLPKLDE LRDEGKASSA KQRLKcASLQ DATA SEQUENCE KFGERAFKAW AVARLSQRFP KAEFAEVSKL VTDLTKVHTE ccHGDLLEcA DATA SEQUENCE DDRADLAKYI cENQDSISSK LKEccEKPLL EKSHcIAEVE NDEMPADLPS DATA SEQUENCE LAADFVESKD VcKNYAEAKD VFLGMFLYEY ARRHPDYSVV LLLRLAKTYE DATA SEQUENCE TTLEKccAAA DPHEcYAKVF DEFKPLVEEP QNLIKQNcEL FEQLGEYKFQ DATA SEQUENCE NALLVRYTKK VPQVSTPTLV EVSRNLGKVG SKccKHPEAK RMPcAEDYLS DATA SEQUENCE VVLNQLcVLH EKTPVSDRVT KccTESLVNR RPcFSALEVD ETYVPKEFNA DATA SEQUENCE ETFTFHADIc TLSEKERQIK KQTALVELVK HKPKATKEQL KAVMDDFAAF DATA SEQUENCE VEKccKADDK ETcFAEEGKK LVAASQAA 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 5 S HA 0.000 nan 4.470 nan 0.000 0.327 5 S C 0.000 174.636 174.600 0.060 0.000 1.055 5 S CA 0.000 58.220 58.200 0.033 0.000 1.107 5 S CB 0.000 63.212 63.200 0.019 0.000 0.593 6 E N 2.318 122.570 120.200 0.087 0.000 2.280 6 E HA 0.268 4.535 4.350 -0.138 0.000 0.197 6 E C 1.620 178.333 176.600 0.187 0.000 0.913 6 E CA 1.090 57.586 56.400 0.160 0.000 0.995 6 E CB -0.389 29.385 29.700 0.124 0.000 0.991 6 E HN 0.427 nan 8.360 nan 0.000 0.484 7 V N 1.759 121.748 119.914 0.125 0.000 2.613 7 V HA -0.324 3.713 4.120 -0.138 0.000 0.259 7 V C 2.224 178.426 176.094 0.180 0.000 1.099 7 V CA 1.931 64.335 62.300 0.173 0.000 1.115 7 V CB -1.087 30.735 31.823 -0.002 0.000 0.686 7 V HN 0.428 nan 8.190 nan 0.000 0.481 8 A N -1.092 121.792 122.820 0.107 0.000 1.898 8 A HA -0.184 4.053 4.320 -0.138 0.000 0.214 8 A C 2.166 179.872 177.584 0.203 0.000 1.183 8 A CA 1.475 53.557 52.037 0.075 0.000 0.622 8 A CB -0.693 18.318 19.000 0.018 0.000 0.824 8 A HN 0.605 nan 8.150 nan 0.000 0.444 9 H N 0.732 119.865 119.070 0.104 0.000 2.254 9 H HA -0.135 4.339 4.556 -0.136 0.000 0.294 9 H C 2.235 177.656 175.328 0.156 0.000 1.071 9 H CA 2.192 58.306 56.048 0.110 0.000 1.228 9 H CB -0.155 29.661 29.762 0.089 0.000 1.358 9 H HN 0.247 nan 8.280 nan 0.000 0.495 10 R N -0.245 120.437 120.500 0.303 0.000 2.117 10 R HA -0.154 4.103 4.340 -0.138 0.000 0.243 10 R C 2.579 179.087 176.300 0.347 0.000 1.143 10 R CA 1.147 57.397 56.100 0.249 0.000 0.968 10 R CB -1.640 28.832 30.300 0.287 0.000 0.863 10 R HN 0.362 nan 8.270 nan 0.000 0.444 11 F N 2.247 122.312 119.950 0.191 0.000 2.069 11 F HA -0.217 4.228 4.527 -0.137 0.000 0.298 11 F C 2.083 177.890 175.800 0.011 0.000 1.113 11 F CA 1.747 59.711 58.000 -0.060 0.000 1.214 11 F CB -0.090 38.703 39.000 -0.345 0.000 0.978 11 F HN -0.068 nan 8.300 nan 0.000 0.474 12 K N -0.155 120.437 120.400 0.321 0.000 2.103 12 K HA -0.185 4.052 4.320 -0.138 0.000 0.207 12 K C 1.756 178.430 176.600 0.122 0.000 1.048 12 K CA 1.662 58.079 56.287 0.218 0.000 0.930 12 K CB -0.386 32.232 32.500 0.196 0.000 0.716 12 K HN 0.394 nan 8.250 nan 0.000 0.444 13 D N 0.910 121.392 120.400 0.136 0.000 2.091 13 D HA -0.081 4.477 4.640 -0.138 0.000 0.199 13 D C 2.054 178.380 176.300 0.043 0.000 0.980 13 D CA 1.132 55.187 54.000 0.091 0.000 0.831 13 D CB -0.015 40.836 40.800 0.084 0.000 0.987 13 D HN 0.149 nan 8.370 nan 0.000 0.460 14 L N 0.161 121.405 121.223 0.036 0.000 2.209 14 L HA 0.196 4.453 4.340 -0.138 0.000 0.207 14 L C 1.405 178.237 176.870 -0.064 0.000 1.094 14 L CA 0.435 55.282 54.840 0.011 0.000 0.790 14 L CB -0.474 41.624 42.059 0.064 0.000 0.932 14 L HN 0.071 nan 8.230 nan 0.000 0.447 15 G N 0.538 109.216 108.800 -0.203 0.000 2.795 15 G HA2 -0.298 3.579 3.960 -0.138 0.000 0.664 15 G HA3 -0.298 3.579 3.960 -0.138 0.000 0.664 15 G C 0.262 174.852 174.900 -0.517 0.000 1.381 15 G CA 0.158 45.046 45.100 -0.353 0.000 0.853 15 G HN 0.244 nan 8.290 nan 0.000 0.545 16 E N -0.346 119.553 120.200 -0.502 0.000 2.038 16 E HA -0.145 4.122 4.350 -0.138 0.000 0.195 16 E C 2.300 178.862 176.600 -0.063 0.000 1.000 16 E CA 2.026 58.232 56.400 -0.324 0.000 0.803 16 E CB -0.090 29.553 29.700 -0.094 0.000 0.750 16 E HN 0.529 nan 8.360 nan 0.000 0.448 17 E N 0.718 120.903 120.200 -0.025 0.000 2.019 17 E HA -0.231 4.036 4.350 -0.138 0.000 0.208 17 E C 1.935 178.565 176.600 0.050 0.000 1.030 17 E CA 1.421 57.839 56.400 0.030 0.000 0.856 17 E CB -0.768 28.949 29.700 0.029 0.000 0.781 17 E HN 0.324 nan 8.360 nan 0.000 0.471 18 N N 0.551 119.272 118.700 0.035 0.000 2.069 18 N HA -0.167 4.491 4.740 -0.138 0.000 0.191 18 N C 1.752 177.302 175.510 0.066 0.000 1.031 18 N CA 0.889 53.965 53.050 0.043 0.000 0.852 18 N CB -0.726 37.778 38.487 0.028 0.000 1.018 18 N HN 0.128 nan 8.380 nan 0.000 0.423 19 F N 1.948 121.843 119.950 -0.092 0.000 2.095 19 F HA -0.135 4.312 4.527 -0.135 0.000 0.298 19 F C 2.165 177.979 175.800 0.023 0.000 1.104 19 F CA 1.518 59.483 58.000 -0.058 0.000 1.232 19 F CB -0.118 38.767 39.000 -0.192 0.000 0.987 19 F HN -0.088 nan 8.300 nan 0.000 0.475 20 K N -0.068 120.528 120.400 0.327 0.000 2.097 20 K HA -0.127 4.110 4.320 -0.138 0.000 0.206 20 K C 2.279 178.939 176.600 0.100 0.000 1.049 20 K CA 1.054 57.485 56.287 0.240 0.000 0.933 20 K CB -0.450 32.171 32.500 0.203 0.000 0.717 20 K HN 0.380 nan 8.250 nan 0.000 0.442 21 A N 1.243 124.106 122.820 0.072 0.000 1.873 21 A HA -0.125 4.112 4.320 -0.138 0.000 0.215 21 A C 2.081 179.668 177.584 0.006 0.000 1.186 21 A CA 1.146 53.209 52.037 0.044 0.000 0.616 21 A CB -0.617 18.409 19.000 0.044 0.000 0.823 21 A HN 0.174 nan 8.150 nan 0.000 0.442 22 L N -0.410 120.793 121.223 -0.032 0.000 2.042 22 L HA -0.171 4.087 4.340 -0.138 0.000 0.210 22 L C 2.494 179.328 176.870 -0.060 0.000 1.076 22 L CA 1.093 55.888 54.840 -0.075 0.000 0.749 22 L CB -0.568 41.421 42.059 -0.117 0.000 0.893 22 L HN 0.243 nan 8.230 nan 0.000 0.432 23 V N -0.051 119.837 119.914 -0.043 0.000 2.490 23 V HA -0.265 3.772 4.120 -0.138 0.000 0.250 23 V C 2.318 178.598 176.094 0.310 0.000 1.061 23 V CA 1.589 63.992 62.300 0.170 0.000 1.064 23 V CB -0.325 31.578 31.823 0.135 0.000 0.670 23 V HN 0.355 nan 8.190 nan 0.000 0.461 24 L N -0.073 121.237 121.223 0.145 0.000 2.072 24 L HA -0.059 4.198 4.340 -0.138 0.000 0.205 24 L C 2.146 179.061 176.870 0.076 0.000 1.079 24 L CA 1.790 56.705 54.840 0.126 0.000 0.752 24 L CB -0.460 41.651 42.059 0.086 0.000 0.906 24 L HN 0.201 nan 8.230 nan 0.000 0.436 25 I N -0.015 120.556 120.570 0.001 0.000 2.163 25 I HA -0.311 3.776 4.170 -0.138 0.000 0.243 25 I C 2.640 178.681 176.117 -0.126 0.000 1.085 25 I CA 1.268 62.515 61.300 -0.088 0.000 1.347 25 I CB -0.689 37.243 38.000 -0.114 0.000 1.044 25 I HN 0.402 nan 8.210 nan 0.000 0.408 26 A N 0.643 123.393 122.820 -0.116 0.000 1.877 26 A HA -0.219 4.018 4.320 -0.138 0.000 0.216 26 A C 2.141 179.590 177.584 -0.225 0.000 1.186 26 A CA 1.589 53.460 52.037 -0.276 0.000 0.620 26 A CB -1.057 17.735 19.000 -0.346 0.000 0.822 26 A HN 0.322 nan 8.150 nan 0.000 0.443 27 F N 0.125 120.038 119.950 -0.062 0.000 2.134 27 F HA -0.112 4.332 4.527 -0.138 0.000 0.299 27 F C 2.810 178.543 175.800 -0.110 0.000 1.097 27 F CA 1.266 59.300 58.000 0.056 0.000 1.264 27 F CB -0.369 38.744 39.000 0.189 0.000 1.001 27 F HN 0.260 nan 8.300 nan 0.000 0.479 28 A N -0.713 122.015 122.820 -0.153 0.000 1.972 28 A HA -0.225 4.012 4.320 -0.138 0.000 0.219 28 A C 2.060 179.540 177.584 -0.173 0.000 1.169 28 A CA 1.595 53.447 52.037 -0.307 0.000 0.635 28 A CB -0.683 18.170 19.000 -0.245 0.000 0.810 28 A HN 0.476 nan 8.150 nan 0.000 0.446 29 Q N -2.292 117.388 119.800 -0.200 0.000 2.311 29 Q HA -0.078 4.179 4.340 -0.138 0.000 0.203 29 Q C 1.566 177.454 176.000 -0.187 0.000 0.954 29 Q CA 0.936 56.593 55.803 -0.243 0.000 0.885 29 Q CB -0.080 28.444 28.738 -0.357 0.000 0.963 29 Q HN 0.793 nan 8.270 nan 0.000 0.471 30 Y N -0.086 120.121 120.300 -0.154 0.000 2.230 30 Y HA 0.074 4.544 4.550 -0.133 0.000 0.294 30 Y C 0.978 176.840 175.900 -0.062 0.000 1.120 30 Y CA 0.457 58.456 58.100 -0.168 0.000 1.129 30 Y CB 0.419 38.672 38.460 -0.345 0.000 1.040 30 Y HN -0.062 nan 8.280 nan 0.000 0.519 31 L N 1.515 122.870 121.223 0.220 0.000 2.589 31 L HA 0.186 4.443 4.340 -0.138 0.000 0.244 31 L C 0.920 177.947 176.870 0.262 0.000 1.159 31 L CA -0.066 54.914 54.840 0.234 0.000 1.074 31 L CB 0.456 42.690 42.059 0.293 0.000 1.391 31 L HN 0.224 nan 8.230 nan 0.000 0.423 32 Q N -0.573 119.302 119.800 0.125 0.000 2.181 32 Q HA -0.204 4.053 4.340 -0.138 0.000 0.205 32 Q C 1.813 177.868 176.000 0.090 0.000 0.980 32 Q CA 1.608 57.441 55.803 0.050 0.000 0.862 32 Q CB 0.011 28.742 28.738 -0.013 0.000 0.905 32 Q HN 0.554 nan 8.270 nan 0.000 0.429 33 Q N -0.977 118.894 119.800 0.119 0.000 2.451 33 Q HA 0.064 4.321 4.340 -0.138 0.000 0.206 33 Q C 0.646 176.745 176.000 0.166 0.000 0.947 33 Q CA 0.009 55.880 55.803 0.114 0.000 0.937 33 Q CB -0.128 28.656 28.738 0.076 0.000 1.025 33 Q HN 0.442 nan 8.270 nan 0.000 0.511 34 C N 2.728 122.174 119.300 0.244 0.000 2.585 34 C HA 0.358 4.736 4.460 -0.138 0.000 0.406 34 C C -2.173 173.014 174.990 0.328 0.000 1.312 34 C CA -2.195 56.934 59.018 0.185 0.000 1.924 34 C CB 0.161 27.892 27.740 -0.014 0.000 2.578 34 C HN 0.347 nan 8.230 nan 0.000 0.580 35 P HA -0.002 nan 4.420 nan 0.000 0.267 35 P C 0.600 177.949 177.300 0.082 0.000 1.200 35 P CA 0.087 63.291 63.100 0.173 0.000 0.772 35 P CB 0.223 31.961 31.700 0.064 0.000 0.855 36 F N 3.611 123.335 119.950 -0.376 0.000 2.043 36 F HA -0.287 4.158 4.527 -0.137 0.000 0.297 36 F C 1.940 177.562 175.800 -0.295 0.000 1.121 36 F CA 1.977 59.528 58.000 -0.749 0.000 1.199 36 F CB -0.730 37.812 39.000 -0.764 0.000 0.968 36 F HN 0.341 nan 8.300 nan 0.000 0.478 37 E N 0.553 120.544 120.200 -0.348 0.000 2.048 37 E HA -0.283 3.985 4.350 -0.138 0.000 0.202 37 E C 1.818 178.233 176.600 -0.308 0.000 1.021 37 E CA 1.900 58.070 56.400 -0.382 0.000 0.825 37 E CB -1.366 28.226 29.700 -0.181 0.000 0.756 37 E HN 0.456 nan 8.360 nan 0.000 0.454 38 D N 0.645 120.918 120.400 -0.212 0.000 2.116 38 D HA -0.179 4.378 4.640 -0.138 0.000 0.193 38 D C 1.997 178.157 176.300 -0.233 0.000 0.998 38 D CA 1.310 55.186 54.000 -0.206 0.000 0.836 38 D CB -0.709 39.969 40.800 -0.204 0.000 0.951 38 D HN 0.337 nan 8.370 nan 0.000 0.449 39 H N 0.220 119.192 119.070 -0.163 0.000 2.352 39 H HA -0.036 4.439 4.556 -0.135 0.000 0.299 39 H C 2.420 177.580 175.328 -0.280 0.000 1.097 39 H CA 0.725 56.677 56.048 -0.160 0.000 1.311 39 H CB -0.420 29.337 29.762 -0.008 0.000 1.377 39 H HN 0.021 nan 8.280 nan 0.000 0.504 40 V N 1.226 120.993 119.914 -0.244 0.000 2.332 40 V HA -0.261 3.776 4.120 -0.138 0.000 0.248 40 V C 2.641 178.601 176.094 -0.223 0.000 1.055 40 V CA 2.000 64.121 62.300 -0.298 0.000 1.038 40 V CB -0.414 31.095 31.823 -0.522 0.000 0.651 40 V HN 0.348 nan 8.190 nan 0.000 0.450 41 K N 0.092 120.361 120.400 -0.218 0.000 1.978 41 K HA -0.187 4.050 4.320 -0.138 0.000 0.214 41 K C 2.124 178.626 176.600 -0.164 0.000 1.049 41 K CA 1.926 58.115 56.287 -0.165 0.000 0.939 41 K CB -0.309 32.104 32.500 -0.146 0.000 0.721 41 K HN 0.412 nan 8.250 nan 0.000 0.441 42 L N 0.863 121.957 121.223 -0.215 0.000 2.042 42 L HA -0.193 4.065 4.340 -0.138 0.000 0.210 42 L C 2.488 179.143 176.870 -0.358 0.000 1.076 42 L CA 0.991 55.667 54.840 -0.274 0.000 0.749 42 L CB -0.724 41.111 42.059 -0.374 0.000 0.893 42 L HN 0.079 nan 8.230 nan 0.000 0.432 43 V N 0.332 120.002 119.914 -0.407 0.000 2.332 43 V HA -0.270 3.767 4.120 -0.138 0.000 0.248 43 V C 2.350 178.395 176.094 -0.082 0.000 1.055 43 V CA 1.919 64.050 62.300 -0.281 0.000 1.038 43 V CB -0.672 31.048 31.823 -0.172 0.000 0.651 43 V HN 0.494 nan 8.190 nan 0.000 0.450 44 N N 0.147 118.803 118.700 -0.075 0.000 2.080 44 N HA -0.143 4.514 4.740 -0.138 0.000 0.189 44 N C 1.839 177.354 175.510 0.007 0.000 1.036 44 N CA 1.499 54.541 53.050 -0.013 0.000 0.846 44 N CB -0.318 38.147 38.487 -0.037 0.000 1.015 44 N HN 0.603 nan 8.380 nan 0.000 0.423 45 E N 0.548 120.735 120.200 -0.022 0.000 2.097 45 E HA -0.130 4.137 4.350 -0.138 0.000 0.196 45 E C 1.990 178.634 176.600 0.072 0.000 1.000 45 E CA 1.010 57.417 56.400 0.012 0.000 0.804 45 E CB -0.078 29.618 29.700 -0.006 0.000 0.740 45 E HN 0.086 nan 8.360 nan 0.000 0.454 46 V N 1.385 121.325 119.914 0.042 0.000 2.343 46 V HA -0.233 3.804 4.120 -0.138 0.000 0.247 46 V C 2.318 178.503 176.094 0.151 0.000 1.051 46 V CA 2.224 64.570 62.300 0.076 0.000 1.036 46 V CB -0.739 31.078 31.823 -0.009 0.000 0.654 46 V HN 0.367 nan 8.190 nan 0.000 0.451 47 T N -1.027 113.633 114.554 0.177 0.000 2.904 47 T HA -0.117 4.150 4.350 -0.138 0.000 0.267 47 T C 1.812 176.578 174.700 0.110 0.000 1.059 47 T CA 0.959 63.197 62.100 0.230 0.000 1.137 47 T CB -0.174 68.844 68.868 0.250 0.000 0.879 47 T HN 0.417 nan 8.240 nan 0.000 0.467 48 E N 0.984 121.242 120.200 0.095 0.000 2.031 48 E HA -0.084 4.183 4.350 -0.138 0.000 0.193 48 E C 1.901 178.559 176.600 0.098 0.000 0.994 48 E CA 0.824 57.260 56.400 0.059 0.000 0.800 48 E CB -0.532 29.193 29.700 0.042 0.000 0.752 48 E HN 0.404 nan 8.360 nan 0.000 0.447 49 F N 1.948 121.869 119.950 -0.048 0.000 2.063 49 F HA -0.262 4.183 4.527 -0.137 0.000 0.298 49 F C 2.305 178.047 175.800 -0.098 0.000 1.109 49 F CA 1.424 59.390 58.000 -0.056 0.000 1.212 49 F CB -1.140 37.842 39.000 -0.031 0.000 0.973 49 F HN -0.016 nan 8.300 nan 0.000 0.480 50 A N 0.480 123.338 122.820 0.064 0.000 1.896 50 A HA -0.331 3.906 4.320 -0.138 0.000 0.220 50 A C 2.334 179.714 177.584 -0.339 0.000 1.206 50 A CA 2.552 54.466 52.037 -0.205 0.000 0.647 50 A CB -1.063 17.776 19.000 -0.268 0.000 0.828 50 A HN 0.511 nan 8.150 nan 0.000 0.455 51 K N -1.071 119.105 120.400 -0.373 0.000 2.160 51 K HA -0.176 4.061 4.320 -0.138 0.000 0.206 51 K C 2.248 178.712 176.600 -0.228 0.000 1.047 51 K CA 1.910 57.944 56.287 -0.421 0.000 0.930 51 K CB -0.376 31.975 32.500 -0.249 0.000 0.720 51 K HN 0.831 nan 8.250 nan 0.000 0.450 52 T N -1.760 112.746 114.554 -0.081 0.000 2.896 52 T HA -0.096 4.171 4.350 -0.138 0.000 0.263 52 T C 2.204 176.895 174.700 -0.014 0.000 1.050 52 T CA 1.055 63.136 62.100 -0.031 0.000 1.140 52 T CB -0.593 68.278 68.868 0.006 0.000 0.877 52 T HN 0.223 nan 8.240 nan 0.000 0.457 53 c N 1.362 119.977 118.600 0.025 0.000 2.419 53 c HA 0.065 4.553 4.570 -0.138 0.000 0.281 53 c C 2.862 176.918 174.090 -0.056 0.000 1.336 53 c CA 0.223 56.563 56.329 0.018 0.000 1.770 53 c CB -1.370 41.140 42.510 0.001 0.000 1.929 53 c HN 0.467 nan 8.230 nan 0.000 0.509 54 V N 1.509 121.337 119.914 -0.142 0.000 2.261 54 V HA -0.222 3.815 4.120 -0.138 0.000 0.246 54 V C 2.712 178.756 176.094 -0.083 0.000 1.047 54 V CA 2.393 64.604 62.300 -0.148 0.000 1.015 54 V CB -1.330 30.329 31.823 -0.273 0.000 0.642 54 V HN 0.599 nan 8.190 nan 0.000 0.446 55 A N 0.003 122.774 122.820 -0.082 0.000 1.832 55 A HA -0.048 4.190 4.320 -0.138 0.000 0.214 55 A C 1.500 179.066 177.584 -0.031 0.000 1.200 55 A CA 1.602 53.609 52.037 -0.050 0.000 0.610 55 A CB -1.072 17.898 19.000 -0.049 0.000 0.842 55 A HN 0.605 nan 8.150 nan 0.000 0.444 56 D N -0.156 120.230 120.400 -0.023 0.000 2.443 56 D HA 0.510 5.067 4.640 -0.138 0.000 0.221 56 D C 0.028 176.332 176.300 0.006 0.000 1.097 56 D CA -0.155 53.840 54.000 -0.008 0.000 0.865 56 D CB 0.259 41.055 40.800 -0.007 0.000 1.034 56 D HN 0.509 nan 8.370 nan 0.000 0.511 57 E N 0.682 120.884 120.200 0.004 0.000 2.335 57 E HA 0.144 4.411 4.350 -0.138 0.000 0.191 57 E C 0.817 177.433 176.600 0.027 0.000 1.150 57 E CA 0.202 56.609 56.400 0.012 0.000 1.001 57 E CB 0.189 29.888 29.700 -0.001 0.000 1.127 57 E HN 0.456 nan 8.360 nan 0.000 0.462 58 S N -1.904 113.818 115.700 0.037 0.000 2.702 58 S HA 0.248 4.635 4.470 -0.138 0.000 0.257 58 S C 1.146 175.777 174.600 0.050 0.000 0.981 58 S CA 0.355 58.581 58.200 0.043 0.000 1.414 58 S CB 0.091 63.307 63.200 0.027 0.000 1.239 58 S HN 0.310 nan 8.310 nan 0.000 0.676 59 A N 1.867 124.718 122.820 0.051 0.000 2.200 59 A HA -0.034 4.203 4.320 -0.138 0.000 0.210 59 A C 1.986 179.580 177.584 0.017 0.000 1.266 59 A CA 2.774 54.828 52.037 0.029 0.000 0.839 59 A CB -1.680 17.332 19.000 0.020 0.000 0.813 59 A HN 0.915 nan 8.150 nan 0.000 0.520 60 E N -1.430 118.776 120.200 0.010 0.000 2.022 60 E HA 0.012 4.279 4.350 -0.138 0.000 0.193 60 E C 1.305 177.954 176.600 0.083 0.000 0.969 60 E CA 1.410 57.784 56.400 -0.044 0.000 0.834 60 E CB -0.513 29.004 29.700 -0.306 0.000 0.798 60 E HN 0.691 nan 8.360 nan 0.000 0.467 61 N N -1.622 117.235 118.700 0.261 0.000 2.240 61 N HA 0.151 4.808 4.740 -0.138 0.000 0.240 61 N C 0.753 176.432 175.510 0.280 0.000 1.277 61 N CA 0.100 53.305 53.050 0.259 0.000 0.873 61 N CB 0.225 38.875 38.487 0.271 0.000 1.222 61 N HN 0.408 nan 8.380 nan 0.000 0.507 62 c N 1.521 120.325 118.600 0.339 0.000 2.389 62 c HA -0.157 4.330 4.570 -0.138 0.000 0.294 62 c C 1.785 175.919 174.090 0.073 0.000 1.318 62 c CA 1.231 57.661 56.329 0.169 0.000 1.822 62 c CB -1.000 41.618 42.510 0.180 0.000 1.938 62 c HN 0.580 nan 8.230 nan 0.000 0.531 63 D N -0.643 119.810 120.400 0.089 0.000 2.352 63 D HA -0.003 4.554 4.640 -0.138 0.000 0.232 63 D C 0.633 176.970 176.300 0.063 0.000 1.055 63 D CA 0.439 54.478 54.000 0.065 0.000 0.891 63 D CB 0.097 40.934 40.800 0.062 0.000 0.897 63 D HN 0.266 nan 8.370 nan 0.000 0.529 64 K N 1.121 121.558 120.400 0.062 0.000 2.102 64 K HA 0.238 4.475 4.320 -0.138 0.000 0.244 64 K C 0.133 176.771 176.600 0.063 0.000 1.021 64 K CA -0.562 55.765 56.287 0.066 0.000 0.913 64 K CB 1.210 33.754 32.500 0.073 0.000 1.062 64 K HN 0.073 nan 8.250 nan 0.000 0.485 65 S N 1.386 117.138 115.700 0.087 0.000 2.525 65 S HA 0.187 4.574 4.470 -0.138 0.000 0.278 65 S C 0.959 175.633 174.600 0.123 0.000 1.234 65 S CA -0.693 57.560 58.200 0.088 0.000 1.058 65 S CB 0.574 63.840 63.200 0.110 0.000 0.983 65 S HN 0.326 nan 8.310 nan 0.000 0.495 66 L N 2.028 123.322 121.223 0.119 0.000 2.151 66 L HA -0.163 4.094 4.340 -0.138 0.000 0.215 66 L C 2.412 179.567 176.870 0.476 0.000 1.084 66 L CA 1.809 56.841 54.840 0.319 0.000 0.764 66 L CB -2.245 40.023 42.059 0.347 0.000 0.891 66 L HN 0.798 nan 8.230 nan 0.000 0.435 67 H N -0.493 118.734 119.070 0.263 0.000 2.421 67 H HA -0.069 4.403 4.556 -0.140 0.000 0.298 67 H C 2.128 177.573 175.328 0.196 0.000 1.087 67 H CA 1.774 57.947 56.048 0.209 0.000 1.330 67 H CB -0.285 29.569 29.762 0.153 0.000 1.388 67 H HN 0.360 nan 8.280 nan 0.000 0.526 68 T N 0.873 115.606 114.554 0.298 0.000 2.852 68 T HA 0.034 4.302 4.350 -0.138 0.000 0.256 68 T C 2.460 177.272 174.700 0.186 0.000 1.038 68 T CA 0.429 62.651 62.100 0.205 0.000 1.141 68 T CB -0.241 68.721 68.868 0.157 0.000 0.869 68 T HN 0.094 nan 8.240 nan 0.000 0.439 69 L N 0.082 121.400 121.223 0.159 0.000 1.944 69 L HA -0.082 4.175 4.340 -0.138 0.000 0.218 69 L C 2.367 179.299 176.870 0.104 0.000 1.075 69 L CA 1.673 56.561 54.840 0.080 0.000 0.767 69 L CB -0.977 41.032 42.059 -0.084 0.000 0.890 69 L HN 0.125 nan 8.230 nan 0.000 0.434 70 F N 0.589 120.596 119.950 0.096 0.000 2.063 70 F HA -0.236 4.210 4.527 -0.134 0.000 0.298 70 F C 2.584 178.364 175.800 -0.035 0.000 1.109 70 F CA 1.813 59.825 58.000 0.021 0.000 1.212 70 F CB -1.395 37.552 39.000 -0.088 0.000 0.973 70 F HN 0.097 nan 8.300 nan 0.000 0.480 71 G N -0.618 108.312 108.800 0.217 0.000 2.491 71 G HA2 -0.330 3.547 3.960 -0.138 0.000 0.218 71 G HA3 -0.330 3.547 3.960 -0.138 0.000 0.218 71 G C 1.497 176.488 174.900 0.153 0.000 1.180 71 G CA 1.385 46.575 45.100 0.151 0.000 0.774 71 G HN 0.271 nan 8.290 nan 0.000 0.562 72 D N 0.149 120.644 120.400 0.158 0.000 2.149 72 D HA -0.088 4.469 4.640 -0.138 0.000 0.198 72 D C 2.836 179.221 176.300 0.142 0.000 0.990 72 D CA 1.203 55.286 54.000 0.138 0.000 0.839 72 D CB -0.027 40.848 40.800 0.126 0.000 0.948 72 D HN 0.259 nan 8.370 nan 0.000 0.460 73 K N 0.250 120.757 120.400 0.179 0.000 1.991 73 K HA -0.096 4.141 4.320 -0.138 0.000 0.212 73 K C 2.568 179.308 176.600 0.233 0.000 1.049 73 K CA 0.663 57.083 56.287 0.222 0.000 0.932 73 K CB -1.092 31.622 32.500 0.357 0.000 0.717 73 K HN 0.297 nan 8.250 nan 0.000 0.441 74 L N 0.373 121.750 121.223 0.257 0.000 2.042 74 L HA -0.180 4.077 4.340 -0.138 0.000 0.210 74 L C 2.588 179.517 176.870 0.099 0.000 1.076 74 L CA 1.198 56.139 54.840 0.168 0.000 0.749 74 L CB -0.646 41.354 42.059 -0.098 0.000 0.893 74 L HN 0.340 nan 8.230 nan 0.000 0.432 75 c N -0.152 118.515 118.600 0.112 0.000 2.460 75 c HA -0.088 4.399 4.570 -0.138 0.000 0.291 75 c C 2.625 176.762 174.090 0.079 0.000 1.493 75 c CA 1.302 57.701 56.329 0.116 0.000 1.748 75 c CB -1.694 40.897 42.510 0.134 0.000 1.656 75 c HN 0.647 nan 8.230 nan 0.000 0.576 76 T N -3.709 110.889 114.554 0.073 0.000 3.107 76 T HA 0.113 4.380 4.350 -0.138 0.000 0.249 76 T C 0.957 175.674 174.700 0.028 0.000 1.096 76 T CA 0.896 63.025 62.100 0.047 0.000 1.012 76 T CB 0.007 68.902 68.868 0.045 0.000 0.977 76 T HN 0.316 nan 8.240 nan 0.000 0.527 77 V N -0.676 119.257 119.914 0.032 0.000 3.359 77 V HA 0.508 4.545 4.120 -0.138 0.000 0.270 77 V C 2.644 178.749 176.094 0.020 0.000 1.583 77 V CA 0.118 62.424 62.300 0.011 0.000 1.019 77 V CB -0.289 31.524 31.823 -0.015 0.000 0.831 77 V HN 0.442 nan 8.190 nan 0.000 0.426 78 A N 1.138 123.983 122.820 0.041 0.000 1.968 78 A HA -0.113 4.124 4.320 -0.138 0.000 0.217 78 A C 2.129 179.733 177.584 0.033 0.000 1.169 78 A CA 2.189 54.257 52.037 0.051 0.000 0.638 78 A CB -0.834 18.230 19.000 0.106 0.000 0.812 78 A HN 0.512 nan 8.150 nan 0.000 0.446 79 T N 0.488 115.061 114.554 0.031 0.000 3.118 79 T HA 0.001 4.269 4.350 -0.138 0.000 0.269 79 T C 0.619 175.323 174.700 0.007 0.000 1.166 79 T CA 0.530 62.639 62.100 0.015 0.000 1.073 79 T CB -0.632 68.246 68.868 0.016 0.000 0.884 79 T HN 0.334 nan 8.240 nan 0.000 0.550 80 L N 1.446 122.674 121.223 0.008 0.000 2.422 80 L HA 0.395 4.652 4.340 -0.138 0.000 0.256 80 L C 2.169 179.041 176.870 0.002 0.000 1.202 80 L CA -0.690 54.152 54.840 0.004 0.000 1.119 80 L CB -0.335 41.726 42.059 0.003 0.000 1.383 80 L HN 0.130 nan 8.230 nan 0.000 0.411 81 R N 1.083 121.581 120.500 -0.002 0.000 2.159 81 R HA -0.141 4.116 4.340 -0.138 0.000 0.237 81 R C 2.005 178.303 176.300 -0.002 0.000 1.131 81 R CA 1.652 57.749 56.100 -0.006 0.000 0.982 81 R CB -1.375 28.919 30.300 -0.011 0.000 0.868 81 R HN 0.696 nan 8.270 nan 0.000 0.453 82 E N 0.121 120.321 120.200 0.000 0.000 2.409 82 E HA -0.079 4.188 4.350 -0.138 0.000 0.198 82 E C 1.920 178.524 176.600 0.005 0.000 1.024 82 E CA 1.590 57.992 56.400 0.002 0.000 0.861 82 E CB -0.622 29.079 29.700 0.002 0.000 0.788 82 E HN 0.736 nan 8.360 nan 0.000 0.521 83 T N -2.972 111.586 114.554 0.007 0.000 3.085 83 T HA 0.366 4.633 4.350 -0.138 0.000 0.241 83 T C 0.935 175.644 174.700 0.015 0.000 0.988 83 T CA 0.862 62.969 62.100 0.012 0.000 1.117 83 T CB 0.418 69.293 68.868 0.012 0.000 0.978 83 T HN 0.725 nan 8.240 nan 0.000 0.454 84 Y N 1.568 121.874 120.300 0.010 0.000 2.658 84 Y HA 0.745 5.212 4.550 -0.138 0.000 0.362 84 Y C 1.363 177.256 175.900 -0.012 0.000 1.017 84 Y CA -1.236 56.867 58.100 0.006 0.000 1.134 84 Y CB -0.269 38.200 38.460 0.015 0.000 1.144 84 Y HN 0.282 nan 8.280 nan 0.000 0.655 85 G N 0.736 109.530 108.800 -0.011 0.000 2.721 85 G HA2 -0.328 3.549 3.960 -0.138 0.000 0.218 85 G HA3 -0.328 3.549 3.960 -0.138 0.000 0.218 85 G C 1.241 176.116 174.900 -0.041 0.000 1.265 85 G CA 1.471 46.560 45.100 -0.018 0.000 0.796 85 G HN 0.779 nan 8.290 nan 0.000 0.620 86 E N -0.040 120.128 120.200 -0.055 0.000 2.510 86 E HA -0.003 4.265 4.350 -0.138 0.000 0.202 86 E C 2.239 178.694 176.600 -0.241 0.000 1.072 86 E CA 0.398 56.737 56.400 -0.101 0.000 0.883 86 E CB -0.094 29.581 29.700 -0.041 0.000 0.818 86 E HN 0.266 nan 8.360 nan 0.000 0.548 87 M N 0.882 120.372 119.600 -0.184 0.000 2.193 87 M HA 0.075 4.472 4.480 -0.138 0.000 0.265 87 M C 2.396 178.633 176.300 -0.106 0.000 1.071 87 M CA 1.035 56.233 55.300 -0.170 0.000 1.140 87 M CB -1.100 31.477 32.600 -0.037 0.000 1.369 87 M HN 0.232 nan 8.290 nan 0.000 0.423 88 A N 0.785 123.568 122.820 -0.062 0.000 1.971 88 A HA -0.248 3.989 4.320 -0.138 0.000 0.222 88 A C 1.775 179.317 177.584 -0.069 0.000 1.182 88 A CA 2.313 54.325 52.037 -0.041 0.000 0.649 88 A CB -0.980 18.003 19.000 -0.028 0.000 0.818 88 A HN 0.488 nan 8.150 nan 0.000 0.458 89 D N -0.234 120.109 120.400 -0.094 0.000 2.092 89 D HA -0.155 4.402 4.640 -0.138 0.000 0.193 89 D C 2.036 178.248 176.300 -0.146 0.000 0.994 89 D CA 1.621 55.563 54.000 -0.097 0.000 0.828 89 D CB -1.030 39.722 40.800 -0.079 0.000 0.963 89 D HN 0.511 nan 8.370 nan 0.000 0.450 90 c N 0.558 119.014 118.600 -0.240 0.000 2.413 90 c HA -0.155 4.333 4.570 -0.138 0.000 0.277 90 c C 3.078 176.952 174.090 -0.360 0.000 1.265 90 c CA 0.072 56.149 56.329 -0.419 0.000 1.752 90 c CB -1.108 40.916 42.510 -0.811 0.000 1.998 90 c HN 0.446 nan 8.230 nan 0.000 0.489 91 c N 0.935 119.418 118.600 -0.194 0.000 2.425 91 c HA -0.027 4.460 4.570 -0.138 0.000 0.277 91 c C 3.013 177.069 174.090 -0.056 0.000 1.280 91 c CA 1.213 57.505 56.329 -0.061 0.000 1.744 91 c CB -1.469 41.053 42.510 0.020 0.000 1.989 91 c HN 0.706 nan 8.230 nan 0.000 0.491 92 A N -0.044 122.737 122.820 -0.066 0.000 2.248 92 A HA -0.015 4.223 4.320 -0.138 0.000 0.210 92 A C 1.177 178.728 177.584 -0.056 0.000 1.174 92 A CA 0.931 52.940 52.037 -0.047 0.000 0.750 92 A CB -0.256 18.719 19.000 -0.042 0.000 0.780 92 A HN 0.652 nan 8.150 nan 0.000 0.478 93 K N -1.231 119.116 120.400 -0.089 0.000 2.273 93 K HA 0.487 4.724 4.320 -0.138 0.000 0.240 93 K C 0.854 177.419 176.600 -0.059 0.000 1.056 93 K CA 0.451 56.685 56.287 -0.089 0.000 0.910 93 K CB 0.082 32.495 32.500 -0.144 0.000 1.196 93 K HN 0.375 nan 8.250 nan 0.000 0.509 94 Q N 0.376 120.145 119.800 -0.051 0.000 2.994 94 Q HA 0.307 4.564 4.340 -0.138 0.000 0.189 94 Q C 1.666 177.655 176.000 -0.017 0.000 1.108 94 Q CA 0.614 56.403 55.803 -0.024 0.000 0.683 94 Q CB -1.031 27.698 28.738 -0.015 0.000 3.959 94 Q HN 0.697 nan 8.270 nan 0.000 0.357 95 E N -0.235 119.966 120.200 0.002 0.000 2.057 95 E HA 0.042 4.309 4.350 -0.138 0.000 0.190 95 E C 0.153 176.754 176.600 0.001 0.000 0.969 95 E CA 1.233 57.644 56.400 0.018 0.000 0.812 95 E CB -1.873 27.852 29.700 0.041 0.000 0.777 95 E HN 0.621 nan 8.360 nan 0.000 0.455 96 P HA -0.087 nan 4.420 nan 0.000 0.219 96 P C 0.747 178.032 177.300 -0.024 0.000 1.149 96 P CA 2.852 65.950 63.100 -0.005 0.000 0.835 96 P CB 0.165 31.863 31.700 -0.004 0.000 0.778 97 E N -2.025 118.145 120.200 -0.050 0.000 2.820 97 E HA 0.026 4.294 4.350 -0.138 0.000 0.136 97 E C 1.000 177.520 176.600 -0.134 0.000 0.859 97 E CA -0.126 56.229 56.400 -0.075 0.000 1.416 97 E CB -1.310 28.360 29.700 -0.050 0.000 0.963 97 E HN 0.249 nan 8.360 nan 0.000 0.427 98 R N 0.587 121.007 120.500 -0.134 0.000 2.438 98 R HA -0.123 4.134 4.340 -0.138 0.000 0.227 98 R C 0.887 176.975 176.300 -0.354 0.000 1.153 98 R CA 1.628 57.593 56.100 -0.225 0.000 1.059 98 R CB -0.267 29.959 30.300 -0.125 0.000 0.831 98 R HN 0.291 nan 8.270 nan 0.000 0.487 99 N N 0.427 119.001 118.700 -0.210 0.000 2.564 99 N HA -0.037 4.620 4.740 -0.138 0.000 0.202 99 N C 1.100 176.542 175.510 -0.113 0.000 1.052 99 N CA 0.276 53.254 53.050 -0.120 0.000 0.872 99 N CB 0.227 38.618 38.487 -0.161 0.000 1.303 99 N HN 0.053 nan 8.380 nan 0.000 0.440 100 E N 0.519 120.659 120.200 -0.099 0.000 2.171 100 E HA -0.177 4.090 4.350 -0.138 0.000 0.197 100 E C 1.906 178.460 176.600 -0.076 0.000 0.997 100 E CA 0.524 56.888 56.400 -0.060 0.000 0.810 100 E CB -0.885 28.797 29.700 -0.030 0.000 0.738 100 E HN 0.382 nan 8.360 nan 0.000 0.467 101 c N 0.019 118.522 118.600 -0.162 0.000 2.429 101 c HA -0.139 4.348 4.570 -0.138 0.000 0.277 101 c C 2.491 176.549 174.090 -0.053 0.000 1.262 101 c CA 0.294 56.530 56.329 -0.156 0.000 1.733 101 c CB -1.251 41.063 42.510 -0.328 0.000 2.010 101 c HN 0.257 nan 8.230 nan 0.000 0.483 102 F N 1.530 121.433 119.950 -0.079 0.000 2.084 102 F HA 0.004 4.447 4.527 -0.140 0.000 0.296 102 F C 2.184 178.017 175.800 0.055 0.000 1.111 102 F CA 1.585 59.494 58.000 -0.151 0.000 1.224 102 F CB -1.202 37.382 39.000 -0.695 0.000 0.991 102 F HN 0.156 nan 8.300 nan 0.000 0.471 103 L N -0.205 121.181 121.223 0.270 0.000 2.079 103 L HA -0.253 4.005 4.340 -0.138 0.000 0.210 103 L C 2.450 179.390 176.870 0.116 0.000 1.081 103 L CA 1.851 56.805 54.840 0.190 0.000 0.752 103 L CB -1.183 40.898 42.059 0.036 0.000 0.896 103 L HN 0.269 nan 8.230 nan 0.000 0.433 104 Q N 0.219 120.055 119.800 0.060 0.000 2.364 104 Q HA -0.211 4.046 4.340 -0.138 0.000 0.207 104 Q C 1.265 177.218 176.000 -0.079 0.000 0.970 104 Q CA 1.479 57.264 55.803 -0.029 0.000 0.888 104 Q CB -0.053 28.619 28.738 -0.110 0.000 0.951 104 Q HN 0.612 nan 8.270 nan 0.000 0.469 105 H N -0.085 119.023 119.070 0.063 0.000 2.517 105 H HA 0.280 4.753 4.556 -0.138 0.000 0.282 105 H C -0.402 174.974 175.328 0.081 0.000 1.023 105 H CA -0.252 55.835 56.048 0.066 0.000 1.169 105 H CB 0.515 30.319 29.762 0.070 0.000 1.454 105 H HN 0.029 nan 8.280 nan 0.000 0.556 106 K N 1.316 121.815 120.400 0.165 0.000 2.350 106 K HA -0.004 4.233 4.320 -0.138 0.000 0.279 106 K C -0.506 176.156 176.600 0.104 0.000 1.027 106 K CA -0.096 56.252 56.287 0.102 0.000 0.969 106 K CB 0.622 33.116 32.500 -0.009 0.000 0.954 106 K HN 0.152 nan 8.250 nan 0.000 0.474 107 D N 2.052 122.496 120.400 0.074 0.000 2.280 107 D HA 0.074 4.632 4.640 -0.138 0.000 0.236 107 D C 0.090 176.421 176.300 0.052 0.000 1.082 107 D CA -0.234 53.801 54.000 0.058 0.000 0.834 107 D CB 1.089 41.911 40.800 0.037 0.000 1.100 107 D HN 0.400 nan 8.370 nan 0.000 0.486 108 D N 2.407 122.844 120.400 0.063 0.000 2.347 108 D HA -0.046 4.511 4.640 -0.138 0.000 0.213 108 D C 0.013 176.302 176.300 -0.020 0.000 0.985 108 D CA 0.571 54.599 54.000 0.047 0.000 0.879 108 D CB 0.424 41.245 40.800 0.034 0.000 0.919 108 D HN 0.432 nan 8.370 nan 0.000 0.526 109 N N 0.949 119.637 118.700 -0.019 0.000 2.752 109 N HA 0.162 4.819 4.740 -0.138 0.000 0.260 109 N C -2.845 172.647 175.510 -0.030 0.000 1.562 109 N CA -1.213 51.816 53.050 -0.036 0.000 0.788 109 N CB 1.671 40.144 38.487 -0.024 0.000 1.192 109 N HN -0.174 nan 8.380 nan 0.000 0.503 110 P HA 0.141 nan 4.420 nan 0.000 0.271 110 P C 0.143 177.427 177.300 -0.027 0.000 1.216 110 P CA 0.164 63.246 63.100 -0.031 0.000 0.776 110 P CB 0.414 32.085 31.700 -0.050 0.000 0.881 111 N N 3.068 121.761 118.700 -0.011 0.000 2.683 111 N HA 0.111 4.768 4.740 -0.138 0.000 0.256 111 N C 0.150 175.656 175.510 -0.007 0.000 1.270 111 N CA -0.154 52.892 53.050 -0.008 0.000 0.954 111 N CB -0.953 37.534 38.487 0.001 0.000 1.289 111 N HN 0.317 nan 8.380 nan 0.000 0.508 112 L N 0.458 121.670 121.223 -0.019 0.000 2.265 112 L HA 0.386 4.643 4.340 -0.138 0.000 0.288 112 L C -1.828 175.033 176.870 -0.014 0.000 1.058 112 L CA -1.747 53.082 54.840 -0.018 0.000 0.809 112 L CB 0.899 42.932 42.059 -0.043 0.000 1.179 112 L HN 0.213 nan 8.230 nan 0.000 0.429 113 P HA 0.015 nan 4.420 nan 0.000 0.267 113 P C 0.150 177.451 177.300 0.002 0.000 1.195 113 P CA -0.110 62.992 63.100 0.004 0.000 0.773 113 P CB 0.338 32.046 31.700 0.013 0.000 0.837 114 R N 1.521 122.026 120.500 0.008 0.000 2.697 114 R HA 0.048 4.305 4.340 -0.138 0.000 0.265 114 R C 0.051 176.361 176.300 0.016 0.000 1.009 114 R CA 0.018 56.126 56.100 0.013 0.000 1.099 114 R CB -0.853 29.459 30.300 0.020 0.000 0.965 114 R HN 0.561 nan 8.270 nan 0.000 0.428 115 L N 3.941 125.175 121.223 0.018 0.000 2.407 115 L HA 0.397 4.654 4.340 -0.138 0.000 0.261 115 L C 0.111 177.005 176.870 0.041 0.000 1.108 115 L CA -0.705 54.148 54.840 0.022 0.000 0.995 115 L CB 0.842 42.905 42.059 0.007 0.000 1.349 115 L HN 0.608 nan 8.230 nan 0.000 0.423 116 V N 4.885 124.825 119.914 0.044 0.000 2.881 116 V HA 0.594 4.631 4.120 -0.138 0.000 0.303 116 V C -0.063 176.071 176.094 0.067 0.000 1.070 116 V CA -0.296 62.035 62.300 0.053 0.000 1.074 116 V CB 1.313 33.164 31.823 0.046 0.000 1.012 116 V HN 0.828 nan 8.190 nan 0.000 0.482 117 R N 3.872 124.419 120.500 0.078 0.000 2.409 117 R HA 0.686 4.943 4.340 -0.138 0.000 0.313 117 R C -2.769 173.592 176.300 0.102 0.000 0.953 117 R CA -1.488 54.673 56.100 0.102 0.000 0.849 117 R CB -0.253 30.123 30.300 0.126 0.000 1.171 117 R HN 0.908 nan 8.270 nan 0.000 0.458 118 P HA -0.028 nan 4.420 nan 0.000 0.266 118 P C -0.132 177.231 177.300 0.105 0.000 1.180 118 P CA 0.192 63.355 63.100 0.106 0.000 0.765 118 P CB 0.465 32.241 31.700 0.127 0.000 0.806 119 E N 1.037 121.284 120.200 0.079 0.000 2.508 119 E HA -0.072 4.195 4.350 -0.138 0.000 0.266 119 E C 1.337 177.984 176.600 0.077 0.000 1.010 119 E CA 0.180 56.619 56.400 0.065 0.000 0.955 119 E CB 0.433 30.163 29.700 0.049 0.000 0.946 119 E HN 0.149 nan 8.360 nan 0.000 0.454 120 V N 2.458 122.405 119.914 0.055 0.000 2.660 120 V HA -0.259 3.778 4.120 -0.138 0.000 0.257 120 V C 1.490 177.621 176.094 0.062 0.000 1.088 120 V CA 1.810 64.140 62.300 0.049 0.000 1.106 120 V CB -0.396 31.425 31.823 -0.003 0.000 0.686 120 V HN 0.505 nan 8.190 nan 0.000 0.481 121 D N -0.457 119.975 120.400 0.054 0.000 2.317 121 D HA -0.037 4.521 4.640 -0.138 0.000 0.211 121 D C 1.949 178.283 176.300 0.057 0.000 0.966 121 D CA 0.823 54.853 54.000 0.050 0.000 0.876 121 D CB 0.385 41.208 40.800 0.039 0.000 0.927 121 D HN 0.403 nan 8.370 nan 0.000 0.519 122 V N 0.231 120.188 119.914 0.072 0.000 2.521 122 V HA -0.076 3.961 4.120 -0.138 0.000 0.239 122 V C 2.427 178.559 176.094 0.064 0.000 1.053 122 V CA 0.642 62.983 62.300 0.069 0.000 1.073 122 V CB -0.317 31.556 31.823 0.083 0.000 0.746 122 V HN 0.062 nan 8.190 nan 0.000 0.476 123 M N -0.385 119.297 119.600 0.138 0.000 2.108 123 M HA -0.281 4.116 4.480 -0.138 0.000 0.257 123 M C 2.419 178.641 176.300 -0.130 0.000 1.071 123 M CA 2.096 57.494 55.300 0.164 0.000 1.093 123 M CB -0.938 31.978 32.600 0.527 0.000 1.345 123 M HN 0.405 nan 8.290 nan 0.000 0.403 124 c N 0.028 118.661 118.600 0.056 0.000 2.413 124 c HA -0.156 4.331 4.570 -0.138 0.000 0.277 124 c C 2.963 177.010 174.090 -0.072 0.000 1.228 124 c CA 1.667 58.008 56.329 0.021 0.000 1.731 124 c CB -0.961 41.596 42.510 0.078 0.000 2.042 124 c HN 0.580 nan 8.230 nan 0.000 0.468 125 T N 0.816 115.359 114.554 -0.019 0.000 2.643 125 T HA -0.155 4.112 4.350 -0.138 0.000 0.264 125 T C 2.055 176.698 174.700 -0.096 0.000 1.045 125 T CA 1.803 63.901 62.100 -0.003 0.000 1.155 125 T CB -0.581 68.296 68.868 0.015 0.000 0.863 125 T HN 0.628 nan 8.240 nan 0.000 0.420 126 A N 0.955 123.683 122.820 -0.154 0.000 1.978 126 A HA -0.091 4.146 4.320 -0.138 0.000 0.220 126 A C 2.020 179.333 177.584 -0.452 0.000 1.170 126 A CA 1.637 53.557 52.037 -0.195 0.000 0.636 126 A CB -0.924 18.034 19.000 -0.070 0.000 0.810 126 A HN 0.534 nan 8.150 nan 0.000 0.448 127 F N -0.147 119.167 119.950 -1.060 0.000 2.163 127 F HA -0.106 4.339 4.527 -0.137 0.000 0.297 127 F C 2.312 177.823 175.800 -0.481 0.000 1.094 127 F CA 1.930 59.192 58.000 -1.231 0.000 1.290 127 F CB -0.414 37.691 39.000 -1.492 0.000 1.017 127 F HN 0.326 nan 8.300 nan 0.000 0.483 128 H N -0.184 118.580 119.070 -0.510 0.000 2.363 128 H HA -0.092 4.382 4.556 -0.137 0.000 0.301 128 H C 1.924 177.061 175.328 -0.318 0.000 1.074 128 H CA 1.675 57.443 56.048 -0.467 0.000 1.354 128 H CB -0.779 28.855 29.762 -0.214 0.000 1.397 128 H HN 0.359 nan 8.280 nan 0.000 0.516 129 D N 0.433 120.783 120.400 -0.084 0.000 2.087 129 D HA -0.154 4.404 4.640 -0.138 0.000 0.192 129 D C 0.420 176.672 176.300 -0.080 0.000 0.993 129 D CA 1.102 55.063 54.000 -0.066 0.000 0.828 129 D CB -0.030 40.746 40.800 -0.040 0.000 0.968 129 D HN 0.072 nan 8.370 nan 0.000 0.448 130 N N -0.187 118.459 118.700 -0.090 0.000 2.576 130 N HA 0.093 4.750 4.740 -0.138 0.000 0.269 130 N C -0.414 175.068 175.510 -0.046 0.000 1.058 130 N CA -0.215 52.810 53.050 -0.041 0.000 0.860 130 N CB 1.366 39.872 38.487 0.032 0.000 1.249 130 N HN 0.117 nan 8.380 nan 0.000 0.525 131 E N 1.459 121.596 120.200 -0.105 0.000 2.285 131 E HA -0.057 4.210 4.350 -0.138 0.000 0.194 131 E C 0.483 177.162 176.600 0.130 0.000 0.997 131 E CA 0.807 57.158 56.400 -0.080 0.000 0.845 131 E CB 0.536 30.116 29.700 -0.199 0.000 0.782 131 E HN 0.491 nan 8.360 nan 0.000 0.491 132 E N -0.147 120.115 120.200 0.103 0.000 2.021 132 E HA -0.083 4.185 4.350 -0.138 0.000 0.189 132 E C 2.100 178.813 176.600 0.189 0.000 0.980 132 E CA 1.323 57.803 56.400 0.134 0.000 0.803 132 E CB -0.567 29.189 29.700 0.092 0.000 0.766 132 E HN 0.161 nan 8.360 nan 0.000 0.449 133 T N 1.457 116.131 114.554 0.199 0.000 3.007 133 T HA -0.085 4.183 4.350 -0.138 0.000 0.270 133 T C 1.515 176.373 174.700 0.264 0.000 1.107 133 T CA 0.527 62.791 62.100 0.274 0.000 1.118 133 T CB -0.263 68.760 68.868 0.258 0.000 0.889 133 T HN 0.033 nan 8.240 nan 0.000 0.506 134 F N 1.703 121.706 119.950 0.088 0.000 2.098 134 F HA 0.134 4.581 4.527 -0.134 0.000 0.294 134 F C 1.882 177.733 175.800 0.084 0.000 1.107 134 F CA 0.845 58.881 58.000 0.059 0.000 1.234 134 F CB -0.429 38.619 39.000 0.080 0.000 1.002 134 F HN 0.033 nan 8.300 nan 0.000 0.472 135 L N -0.302 121.038 121.223 0.195 0.000 2.141 135 L HA -0.187 4.070 4.340 -0.138 0.000 0.209 135 L C 2.391 179.312 176.870 0.085 0.000 1.094 135 L CA 1.207 56.123 54.840 0.126 0.000 0.763 135 L CB -0.663 41.522 42.059 0.211 0.000 0.908 135 L HN 0.090 nan 8.230 nan 0.000 0.437 136 K N 0.482 120.956 120.400 0.124 0.000 2.057 136 K HA -0.236 4.002 4.320 -0.138 0.000 0.207 136 K C 2.163 178.775 176.600 0.021 0.000 1.049 136 K CA 1.431 57.819 56.287 0.169 0.000 0.931 136 K CB -0.010 32.700 32.500 0.351 0.000 0.714 136 K HN 0.037 nan 8.250 nan 0.000 0.440 137 K N -0.094 120.151 120.400 -0.257 0.000 2.147 137 K HA -0.205 4.032 4.320 -0.138 0.000 0.205 137 K C 1.989 178.414 176.600 -0.292 0.000 1.049 137 K CA 1.166 57.076 56.287 -0.629 0.000 0.936 137 K CB -0.197 31.910 32.500 -0.654 0.000 0.722 137 K HN 0.128 nan 8.250 nan 0.000 0.446 138 Y N 1.169 121.225 120.300 -0.407 0.000 2.070 138 Y HA -0.206 4.262 4.550 -0.136 0.000 0.279 138 Y C 1.546 177.225 175.900 -0.368 0.000 1.134 138 Y CA 1.743 59.544 58.100 -0.499 0.000 1.113 138 Y CB -0.501 37.508 38.460 -0.752 0.000 0.981 138 Y HN -0.043 nan 8.280 nan 0.000 0.487 139 L N -0.746 120.258 121.223 -0.365 0.000 2.013 139 L HA -0.305 3.952 4.340 -0.138 0.000 0.212 139 L C 2.488 179.170 176.870 -0.313 0.000 1.073 139 L CA 2.176 56.776 54.840 -0.401 0.000 0.753 139 L CB -1.266 40.702 42.059 -0.152 0.000 0.890 139 L HN 0.405 nan 8.230 nan 0.000 0.432 140 Y N 1.286 121.426 120.300 -0.268 0.000 2.114 140 Y HA -0.280 4.191 4.550 -0.132 0.000 0.282 140 Y C 2.616 178.373 175.900 -0.238 0.000 1.165 140 Y CA 1.824 59.804 58.100 -0.200 0.000 1.148 140 Y CB -0.184 38.209 38.460 -0.111 0.000 0.972 140 Y HN 0.153 nan 8.280 nan 0.000 0.504 141 E N 0.014 119.944 120.200 -0.450 0.000 2.106 141 E HA -0.143 4.124 4.350 -0.138 0.000 0.192 141 E C 2.256 178.605 176.600 -0.419 0.000 0.984 141 E CA 1.123 57.235 56.400 -0.479 0.000 0.806 141 E CB -0.162 29.368 29.700 -0.284 0.000 0.750 141 E HN 0.487 nan 8.360 nan 0.000 0.458 142 I N 1.115 121.378 120.570 -0.512 0.000 2.193 142 I HA -0.117 3.970 4.170 -0.138 0.000 0.240 142 I C 2.445 178.374 176.117 -0.314 0.000 1.084 142 I CA 0.936 61.949 61.300 -0.477 0.000 1.365 142 I CB -1.615 35.844 38.000 -0.901 0.000 1.064 142 I HN -0.071 nan 8.210 nan 0.000 0.410 143 A N 1.473 124.055 122.820 -0.397 0.000 1.978 143 A HA -0.217 4.020 4.320 -0.138 0.000 0.220 143 A C 2.373 179.824 177.584 -0.221 0.000 1.170 143 A CA 1.797 53.670 52.037 -0.273 0.000 0.636 143 A CB -0.695 18.142 19.000 -0.270 0.000 0.810 143 A HN 0.571 nan 8.150 nan 0.000 0.448 144 R N -1.090 119.224 120.500 -0.310 0.000 2.275 144 R HA 0.100 4.357 4.340 -0.138 0.000 0.199 144 R C 1.466 177.637 176.300 -0.216 0.000 0.989 144 R CA 0.872 56.795 56.100 -0.296 0.000 1.016 144 R CB -0.144 29.857 30.300 -0.497 0.000 0.918 144 R HN 0.421 nan 8.270 nan 0.000 0.473 145 R N -0.300 120.090 120.500 -0.184 0.000 2.335 145 R HA 0.178 4.435 4.340 -0.138 0.000 0.210 145 R C -0.121 175.930 176.300 -0.416 0.000 0.892 145 R CA 0.089 56.050 56.100 -0.232 0.000 1.048 145 R CB 0.615 30.804 30.300 -0.186 0.000 1.067 145 R HN 0.349 nan 8.270 nan 0.000 0.524 146 H N 0.907 119.941 119.070 -0.061 0.000 2.488 146 H HA 0.162 4.618 4.556 -0.167 0.000 0.237 146 H C -2.033 173.311 175.328 0.026 0.000 1.395 146 H CA -1.638 54.439 56.048 0.049 0.000 1.491 146 H CB 1.579 31.454 29.762 0.188 0.000 1.567 146 H HN -0.047 nan 8.280 nan 0.000 0.508 147 P HA -0.163 nan 4.420 nan 0.000 0.226 147 P C 0.336 177.426 177.300 -0.350 0.000 1.146 147 P CA 1.264 64.246 63.100 -0.197 0.000 0.773 147 P CB 0.053 31.594 31.700 -0.265 0.000 0.772 148 Y N -3.076 117.245 120.300 0.037 0.000 2.557 148 Y HA 0.294 4.765 4.550 -0.130 0.000 0.247 148 Y C 0.934 176.882 175.900 0.079 0.000 1.164 148 Y CA -1.047 57.067 58.100 0.023 0.000 1.218 148 Y CB -0.350 38.101 38.460 -0.016 0.000 1.210 148 Y HN -0.238 nan 8.280 nan 0.000 0.529 149 F N 1.242 121.249 119.950 0.095 0.000 2.623 149 F HA -0.108 4.383 4.527 -0.061 0.000 0.383 149 F C 0.428 176.300 175.800 0.121 0.000 1.077 149 F CA -0.571 57.465 58.000 0.059 0.000 1.268 149 F CB 0.163 39.127 39.000 -0.059 0.000 1.053 149 F HN 0.064 nan 8.300 nan 0.000 0.571 150 Y N 7.360 127.696 120.300 0.059 0.000 2.783 150 Y HA 0.185 4.656 4.550 -0.132 0.000 0.359 150 Y C 1.070 177.154 175.900 0.307 0.000 1.220 150 Y CA -0.569 57.618 58.100 0.146 0.000 1.649 150 Y CB -0.144 38.369 38.460 0.088 0.000 1.273 150 Y HN 0.753 nan 8.280 nan 0.000 0.506 151 A N 7.665 130.605 122.820 0.199 0.000 1.859 151 A HA -0.215 4.022 4.320 -0.138 0.000 0.218 151 A C -0.209 177.345 177.584 -0.050 0.000 1.209 151 A CA 1.953 54.014 52.037 0.040 0.000 0.639 151 A CB -1.818 17.161 19.000 -0.034 0.000 0.835 151 A HN 0.627 nan 8.150 nan 0.000 0.450 152 P HA -0.145 nan 4.420 nan 0.000 0.218 152 P C 1.234 178.487 177.300 -0.079 0.000 1.146 152 P CA 1.309 64.281 63.100 -0.214 0.000 0.813 152 P CB -0.013 31.459 31.700 -0.380 0.000 0.778 153 E N -1.103 119.063 120.200 -0.057 0.000 2.230 153 E HA -0.050 4.217 4.350 -0.138 0.000 0.192 153 E C 1.759 178.782 176.600 0.705 0.000 0.987 153 E CA 0.444 57.065 56.400 0.369 0.000 0.841 153 E CB -0.685 29.337 29.700 0.537 0.000 0.783 153 E HN 0.162 nan 8.360 nan 0.000 0.481 154 L N 0.939 122.428 121.223 0.443 0.000 2.201 154 L HA -0.094 4.164 4.340 -0.138 0.000 0.212 154 L C 2.037 179.029 176.870 0.204 0.000 1.105 154 L CA 1.222 56.155 54.840 0.154 0.000 0.775 154 L CB -0.448 41.458 42.059 -0.256 0.000 0.913 154 L HN 0.071 nan 8.230 nan 0.000 0.440 155 L N -2.004 119.334 121.223 0.191 0.000 2.141 155 L HA -0.191 4.066 4.340 -0.138 0.000 0.209 155 L C 2.415 179.414 176.870 0.216 0.000 1.094 155 L CA 1.192 56.126 54.840 0.157 0.000 0.763 155 L CB -0.715 41.408 42.059 0.107 0.000 0.908 155 L HN 0.303 nan 8.230 nan 0.000 0.437 156 F N 0.514 120.544 119.950 0.133 0.000 2.163 156 F HA -0.161 4.280 4.527 -0.143 0.000 0.297 156 F C 2.108 177.915 175.800 0.011 0.000 1.094 156 F CA 1.238 59.257 58.000 0.032 0.000 1.290 156 F CB -0.292 38.684 39.000 -0.040 0.000 1.017 156 F HN -0.142 nan 8.300 nan 0.000 0.483 157 F N 0.464 120.460 119.950 0.076 0.000 2.234 157 F HA -0.060 4.389 4.527 -0.130 0.000 0.299 157 F C 2.517 178.333 175.800 0.026 0.000 1.087 157 F CA 1.123 59.135 58.000 0.020 0.000 1.340 157 F CB -1.136 37.970 39.000 0.178 0.000 1.031 157 F HN 0.090 nan 8.300 nan 0.000 0.500 158 A N -0.195 122.778 122.820 0.255 0.000 1.872 158 A HA -0.197 4.040 4.320 -0.138 0.000 0.214 158 A C 2.172 179.800 177.584 0.073 0.000 1.187 158 A CA 1.598 53.756 52.037 0.203 0.000 0.614 158 A CB -0.662 18.456 19.000 0.198 0.000 0.826 158 A HN 0.288 nan 8.150 nan 0.000 0.442 159 K N -0.508 119.884 120.400 -0.013 0.000 2.211 159 K HA -0.110 4.128 4.320 -0.138 0.000 0.204 159 K C 2.222 178.743 176.600 -0.132 0.000 1.047 159 K CA 1.260 57.511 56.287 -0.059 0.000 0.935 159 K CB -0.090 32.358 32.500 -0.086 0.000 0.728 159 K HN 0.421 nan 8.250 nan 0.000 0.452 160 R N -1.244 119.111 120.500 -0.243 0.000 2.100 160 R HA -0.094 4.163 4.340 -0.138 0.000 0.220 160 R C 2.124 178.359 176.300 -0.109 0.000 1.091 160 R CA 1.140 57.089 56.100 -0.252 0.000 0.986 160 R CB -0.334 29.715 30.300 -0.418 0.000 0.888 160 R HN 0.273 nan 8.270 nan 0.000 0.444 161 Y N 2.258 122.435 120.300 -0.205 0.000 2.224 161 Y HA -0.253 4.215 4.550 -0.136 0.000 0.289 161 Y C 2.385 178.211 175.900 -0.123 0.000 1.146 161 Y CA 1.678 59.629 58.100 -0.249 0.000 1.182 161 Y CB -0.000 38.079 38.460 -0.635 0.000 0.983 161 Y HN -0.132 nan 8.280 nan 0.000 0.524 162 K N -0.096 120.303 120.400 -0.002 0.000 2.025 162 K HA -0.117 4.120 4.320 -0.138 0.000 0.207 162 K C 2.220 178.786 176.600 -0.057 0.000 1.049 162 K CA 1.098 57.385 56.287 0.001 0.000 0.933 162 K CB -0.391 32.194 32.500 0.143 0.000 0.714 162 K HN 0.330 nan 8.250 nan 0.000 0.438 163 A N 0.912 123.700 122.820 -0.053 0.000 2.070 163 A HA -0.075 4.162 4.320 -0.138 0.000 0.220 163 A C 2.198 179.705 177.584 -0.129 0.000 1.159 163 A CA 1.667 53.669 52.037 -0.059 0.000 0.656 163 A CB -0.584 18.374 19.000 -0.070 0.000 0.800 163 A HN 0.492 nan 8.150 nan 0.000 0.453 164 A N -0.941 121.751 122.820 -0.213 0.000 1.873 164 A HA 0.059 4.297 4.320 -0.138 0.000 0.215 164 A C 1.923 179.239 177.584 -0.447 0.000 1.186 164 A CA 1.446 53.283 52.037 -0.332 0.000 0.616 164 A CB -0.651 18.087 19.000 -0.437 0.000 0.823 164 A HN 0.459 nan 8.150 nan 0.000 0.442 165 F N 0.054 119.649 119.950 -0.592 0.000 2.187 165 F HA -0.064 4.379 4.527 -0.141 0.000 0.295 165 F C 2.765 178.289 175.800 -0.460 0.000 1.091 165 F CA 1.670 59.215 58.000 -0.758 0.000 1.308 165 F CB -0.894 37.144 39.000 -1.604 0.000 1.030 165 F HN 0.093 nan 8.300 nan 0.000 0.487 166 T N -0.286 114.210 114.554 -0.097 0.000 2.721 166 T HA -0.262 4.005 4.350 -0.138 0.000 0.268 166 T C 2.087 176.860 174.700 0.121 0.000 1.038 166 T CA 1.982 64.215 62.100 0.222 0.000 1.145 166 T CB -0.450 68.539 68.868 0.201 0.000 0.858 166 T HN 0.527 nan 8.240 nan 0.000 0.459 167 E N -0.411 119.788 120.200 -0.002 0.000 2.057 167 E HA -0.014 4.253 4.350 -0.138 0.000 0.191 167 E C 2.312 178.888 176.600 -0.038 0.000 0.959 167 E CA 0.879 57.270 56.400 -0.014 0.000 0.828 167 E CB -1.135 28.536 29.700 -0.048 0.000 0.800 167 E HN 0.636 nan 8.360 nan 0.000 0.460 168 c N 0.439 118.967 118.600 -0.120 0.000 2.403 168 c HA -0.133 4.354 4.570 -0.138 0.000 0.282 168 c C 2.795 176.834 174.090 -0.086 0.000 1.297 168 c CA 0.813 57.059 56.329 -0.138 0.000 1.785 168 c CB -1.333 41.024 42.510 -0.254 0.000 1.963 168 c HN 0.785 nan 8.230 nan 0.000 0.507 169 c N -0.336 118.237 118.600 -0.045 0.000 2.432 169 c HA -0.085 4.402 4.570 -0.138 0.000 0.282 169 c C 2.365 176.521 174.090 0.110 0.000 1.388 169 c CA 0.921 57.281 56.329 0.051 0.000 1.777 169 c CB -1.351 41.228 42.510 0.114 0.000 1.882 169 c HN 0.642 nan 8.230 nan 0.000 0.520 170 Q N -0.103 119.750 119.800 0.088 0.000 2.246 170 Q HA 0.283 4.540 4.340 -0.138 0.000 0.202 170 Q C 1.048 177.065 176.000 0.029 0.000 0.883 170 Q CA -0.266 55.581 55.803 0.074 0.000 0.952 170 Q CB 0.339 29.123 28.738 0.076 0.000 1.078 170 Q HN 0.705 nan 8.270 nan 0.000 0.493 171 A N 0.233 123.058 122.820 0.009 0.000 2.645 171 A HA 0.513 4.751 4.320 -0.138 0.000 0.245 171 A C 0.983 178.566 177.584 -0.002 0.000 1.758 171 A CA 0.639 52.671 52.037 -0.007 0.000 0.850 171 A CB -0.099 18.884 19.000 -0.028 0.000 1.656 171 A HN 0.300 nan 8.150 nan 0.000 0.641 172 A N -2.504 120.311 122.820 -0.008 0.000 2.141 172 A HA 0.398 4.635 4.320 -0.138 0.000 0.201 172 A C 0.121 177.700 177.584 -0.008 0.000 1.344 172 A CA 0.875 52.908 52.037 -0.005 0.000 0.971 172 A CB 0.359 19.355 19.000 -0.006 0.000 1.035 172 A HN 0.568 nan 8.150 nan 0.000 0.480 173 D N -0.294 120.096 120.400 -0.016 0.000 2.375 173 D HA 0.431 4.989 4.640 -0.138 0.000 0.259 173 D C 0.462 176.741 176.300 -0.035 0.000 1.235 173 D CA -0.164 53.823 54.000 -0.021 0.000 0.924 173 D CB 1.126 41.913 40.800 -0.021 0.000 1.143 173 D HN 0.093 nan 8.370 nan 0.000 0.529 174 K N 1.295 121.674 120.400 -0.035 0.000 2.001 174 K HA -0.003 4.234 4.320 -0.138 0.000 0.208 174 K C 1.996 178.547 176.600 -0.082 0.000 1.048 174 K CA 1.305 57.556 56.287 -0.060 0.000 0.932 174 K CB 0.023 32.497 32.500 -0.043 0.000 0.715 174 K HN 0.324 nan 8.250 nan 0.000 0.437 175 A N 1.327 124.114 122.820 -0.056 0.000 1.986 175 A HA -0.190 4.047 4.320 -0.138 0.000 0.220 175 A C 2.325 179.872 177.584 -0.062 0.000 1.171 175 A CA 2.084 54.087 52.037 -0.056 0.000 0.640 175 A CB -0.842 18.140 19.000 -0.029 0.000 0.811 175 A HN 0.354 nan 8.150 nan 0.000 0.451 176 A N -1.714 121.073 122.820 -0.054 0.000 1.930 176 A HA -0.070 4.167 4.320 -0.138 0.000 0.215 176 A C 2.334 179.878 177.584 -0.067 0.000 1.176 176 A CA 1.385 53.392 52.037 -0.050 0.000 0.632 176 A CB -1.137 17.841 19.000 -0.036 0.000 0.819 176 A HN 0.786 nan 8.150 nan 0.000 0.445 177 c N -1.399 117.151 118.600 -0.084 0.000 2.475 177 c HA 0.192 4.679 4.570 -0.138 0.000 0.279 177 c C 2.350 176.348 174.090 -0.153 0.000 1.322 177 c CA 0.963 57.231 56.329 -0.103 0.000 1.734 177 c CB -1.245 41.206 42.510 -0.099 0.000 2.005 177 c HN 0.541 nan 8.230 nan 0.000 0.495 178 L N 0.319 121.425 121.223 -0.196 0.000 2.046 178 L HA 0.136 4.393 4.340 -0.138 0.000 0.203 178 L C 2.372 179.116 176.870 -0.210 0.000 1.111 178 L CA 1.468 56.132 54.840 -0.293 0.000 0.769 178 L CB -0.901 40.915 42.059 -0.406 0.000 0.914 178 L HN 0.237 nan 8.230 nan 0.000 0.448 179 L N -0.330 120.801 121.223 -0.152 0.000 2.173 179 L HA -0.359 3.898 4.340 -0.138 0.000 0.239 179 L C -0.005 176.824 176.870 -0.069 0.000 1.123 179 L CA 2.884 57.672 54.840 -0.086 0.000 0.847 179 L CB -2.684 39.344 42.059 -0.051 0.000 0.940 179 L HN 0.273 nan 8.230 nan 0.000 0.450 180 P HA -0.213 nan 4.420 nan 0.000 0.209 180 P C 1.523 178.796 177.300 -0.045 0.000 1.167 180 P CA 1.680 64.753 63.100 -0.044 0.000 0.941 180 P CB -0.166 31.505 31.700 -0.048 0.000 0.787 181 K N -0.761 119.592 120.400 -0.079 0.000 2.228 181 K HA -0.160 4.078 4.320 -0.138 0.000 0.205 181 K C 2.079 178.643 176.600 -0.060 0.000 1.045 181 K CA 1.167 57.405 56.287 -0.082 0.000 0.931 181 K CB -0.722 31.692 32.500 -0.143 0.000 0.727 181 K HN 0.208 nan 8.250 nan 0.000 0.458 182 L N 0.585 121.761 121.223 -0.080 0.000 2.179 182 L HA -0.135 4.122 4.340 -0.138 0.000 0.208 182 L C 1.899 178.804 176.870 0.058 0.000 1.096 182 L CA 0.905 55.735 54.840 -0.017 0.000 0.779 182 L CB -0.283 41.741 42.059 -0.057 0.000 0.922 182 L HN 0.218 nan 8.230 nan 0.000 0.443 183 D N 0.021 120.443 120.400 0.037 0.000 2.106 183 D HA -0.199 4.359 4.640 -0.138 0.000 0.203 183 D C 1.872 178.221 176.300 0.082 0.000 0.977 183 D CA 0.968 55.005 54.000 0.061 0.000 0.844 183 D CB 0.124 40.948 40.800 0.041 0.000 1.002 183 D HN 0.280 nan 8.370 nan 0.000 0.461 184 E N 0.622 120.861 120.200 0.064 0.000 2.147 184 E HA -0.195 4.072 4.350 -0.138 0.000 0.199 184 E C 2.288 178.967 176.600 0.133 0.000 1.005 184 E CA 0.762 57.211 56.400 0.083 0.000 0.810 184 E CB -0.039 29.693 29.700 0.053 0.000 0.736 184 E HN 0.223 nan 8.360 nan 0.000 0.460 185 L N 0.089 121.400 121.223 0.147 0.000 2.131 185 L HA -0.084 4.173 4.340 -0.138 0.000 0.206 185 L C 2.877 179.904 176.870 0.261 0.000 1.087 185 L CA 0.849 55.834 54.840 0.242 0.000 0.767 185 L CB -0.409 41.800 42.059 0.250 0.000 0.917 185 L HN 0.181 nan 8.230 nan 0.000 0.441 186 R N 0.277 120.892 120.500 0.192 0.000 2.096 186 R HA -0.180 4.077 4.340 -0.138 0.000 0.235 186 R C 1.567 177.953 176.300 0.144 0.000 1.127 186 R CA 1.782 57.977 56.100 0.157 0.000 0.968 186 R CB -0.053 30.326 30.300 0.132 0.000 0.861 186 R HN 0.339 nan 8.270 nan 0.000 0.440 187 D N 0.362 120.852 120.400 0.150 0.000 2.085 187 D HA -0.172 4.385 4.640 -0.138 0.000 0.199 187 D C 1.679 178.085 176.300 0.178 0.000 0.981 187 D CA 1.252 55.338 54.000 0.144 0.000 0.834 187 D CB -0.409 40.467 40.800 0.127 0.000 0.992 187 D HN 0.364 nan 8.370 nan 0.000 0.457 188 E N 0.366 120.707 120.200 0.235 0.000 2.171 188 E HA -0.161 4.107 4.350 -0.138 0.000 0.197 188 E C 1.980 178.811 176.600 0.385 0.000 0.997 188 E CA 1.452 58.051 56.400 0.332 0.000 0.810 188 E CB -0.247 29.697 29.700 0.407 0.000 0.738 188 E HN 0.270 nan 8.360 nan 0.000 0.467 189 G N 0.557 109.529 108.800 0.287 0.000 2.403 189 G HA2 -0.211 3.666 3.960 -0.138 0.000 0.216 189 G HA3 -0.211 3.666 3.960 -0.138 0.000 0.216 189 G C 1.394 176.276 174.900 -0.030 0.000 1.154 189 G CA 0.561 45.677 45.100 0.027 0.000 0.784 189 G HN 0.167 nan 8.290 nan 0.000 0.538 190 K N 0.585 121.003 120.400 0.031 0.000 2.211 190 K HA 0.152 4.389 4.320 -0.138 0.000 0.203 190 K C 2.788 179.407 176.600 0.032 0.000 1.050 190 K CA 0.724 57.039 56.287 0.046 0.000 0.945 190 K CB -0.021 32.545 32.500 0.110 0.000 0.732 190 K HN 0.279 nan 8.250 nan 0.000 0.451 191 A N 1.015 123.872 122.820 0.063 0.000 1.843 191 A HA -0.131 4.107 4.320 -0.138 0.000 0.213 191 A C 2.236 179.818 177.584 -0.003 0.000 1.202 191 A CA 1.619 53.700 52.037 0.074 0.000 0.607 191 A CB -0.865 18.224 19.000 0.148 0.000 0.847 191 A HN 0.218 nan 8.150 nan 0.000 0.445 192 S N -0.415 115.284 115.700 -0.002 0.000 2.392 192 S HA -0.199 4.188 4.470 -0.138 0.000 0.232 192 S C 2.316 176.696 174.600 -0.368 0.000 1.041 192 S CA 2.172 60.313 58.200 -0.097 0.000 1.026 192 S CB -0.456 62.742 63.200 -0.005 0.000 0.845 192 S HN 0.640 nan 8.310 nan 0.000 0.465 193 S N 0.251 115.655 115.700 -0.494 0.000 2.368 193 S HA 0.047 4.434 4.470 -0.138 0.000 0.224 193 S C 2.064 176.555 174.600 -0.182 0.000 1.029 193 S CA 1.324 59.255 58.200 -0.448 0.000 0.988 193 S CB -0.663 62.411 63.200 -0.210 0.000 0.838 193 S HN 0.686 nan 8.310 nan 0.000 0.462 194 A N 0.912 123.662 122.820 -0.117 0.000 1.930 194 A HA 0.017 4.254 4.320 -0.138 0.000 0.217 194 A C 2.116 179.611 177.584 -0.149 0.000 1.175 194 A CA 1.561 53.531 52.037 -0.111 0.000 0.627 194 A CB -0.586 18.355 19.000 -0.097 0.000 0.815 194 A HN 0.571 nan 8.150 nan 0.000 0.443 195 K N -1.013 119.306 120.400 -0.135 0.000 2.063 195 K HA -0.230 4.007 4.320 -0.138 0.000 0.208 195 K C 2.328 178.805 176.600 -0.205 0.000 1.048 195 K CA 1.839 58.040 56.287 -0.143 0.000 0.928 195 K CB -0.068 32.386 32.500 -0.077 0.000 0.713 195 K HN 0.506 nan 8.250 nan 0.000 0.442 196 Q N 0.285 119.964 119.800 -0.201 0.000 2.187 196 Q HA -0.084 4.173 4.340 -0.138 0.000 0.199 196 Q C 1.804 177.694 176.000 -0.184 0.000 0.957 196 Q CA 1.168 56.844 55.803 -0.210 0.000 0.857 196 Q CB 0.019 28.656 28.738 -0.168 0.000 0.929 196 Q HN 0.028 nan 8.270 nan 0.000 0.453 197 R N -0.165 120.231 120.500 -0.173 0.000 2.120 197 R HA -0.094 4.164 4.340 -0.138 0.000 0.234 197 R C 1.833 177.985 176.300 -0.246 0.000 1.123 197 R CA 1.223 57.190 56.100 -0.222 0.000 0.975 197 R CB -0.742 29.439 30.300 -0.198 0.000 0.866 197 R HN 0.423 nan 8.270 nan 0.000 0.446 198 L N 0.486 121.570 121.223 -0.232 0.000 2.109 198 L HA 0.002 4.259 4.340 -0.138 0.000 0.207 198 L C 1.696 178.409 176.870 -0.262 0.000 1.086 198 L CA 1.842 56.539 54.840 -0.238 0.000 0.760 198 L CB -0.369 41.531 42.059 -0.266 0.000 0.910 198 L HN 0.076 nan 8.230 nan 0.000 0.437 199 K N -1.429 118.784 120.400 -0.311 0.000 2.147 199 K HA -0.136 4.101 4.320 -0.138 0.000 0.205 199 K C 2.070 178.554 176.600 -0.195 0.000 1.049 199 K CA 1.541 57.649 56.287 -0.298 0.000 0.936 199 K CB -0.266 31.980 32.500 -0.424 0.000 0.722 199 K HN 0.449 nan 8.250 nan 0.000 0.446 200 c N -0.164 118.332 118.600 -0.175 0.000 2.467 200 c HA 0.080 4.567 4.570 -0.138 0.000 0.279 200 c C 2.744 176.770 174.090 -0.106 0.000 1.347 200 c CA 0.477 56.736 56.329 -0.116 0.000 1.748 200 c CB -0.531 41.938 42.510 -0.068 0.000 1.977 200 c HN 0.520 nan 8.230 nan 0.000 0.501 201 A N 0.792 123.531 122.820 -0.135 0.000 1.902 201 A HA -0.126 4.111 4.320 -0.138 0.000 0.217 201 A C 2.225 179.859 177.584 0.082 0.000 1.181 201 A CA 2.232 54.230 52.037 -0.066 0.000 0.623 201 A CB -0.727 18.233 19.000 -0.066 0.000 0.818 201 A HN 0.545 nan 8.150 nan 0.000 0.443 202 S N 0.220 115.976 115.700 0.093 0.000 2.354 202 S HA -0.177 4.210 4.470 -0.138 0.000 0.219 202 S C 1.872 176.603 174.600 0.218 0.000 1.035 202 S CA 1.679 60.013 58.200 0.223 0.000 1.037 202 S CB -0.690 62.563 63.200 0.089 0.000 0.956 202 S HN 0.491 nan 8.310 nan 0.000 0.428 203 L N 1.433 122.715 121.223 0.097 0.000 1.990 203 L HA -0.253 4.004 4.340 -0.138 0.000 0.213 203 L C 2.869 179.764 176.870 0.042 0.000 1.072 203 L CA 1.596 56.465 54.840 0.049 0.000 0.755 203 L CB -0.675 41.336 42.059 -0.080 0.000 0.889 203 L HN 0.388 nan 8.230 nan 0.000 0.432 204 Q N -0.323 119.485 119.800 0.014 0.000 2.079 204 Q HA -0.184 4.073 4.340 -0.138 0.000 0.200 204 Q C 2.072 178.036 176.000 -0.061 0.000 0.974 204 Q CA 1.345 57.143 55.803 -0.008 0.000 0.840 204 Q CB 0.002 28.734 28.738 -0.010 0.000 0.898 204 Q HN 0.504 nan 8.270 nan 0.000 0.430 205 K N -1.031 119.303 120.400 -0.111 0.000 2.334 205 K HA 0.092 4.330 4.320 -0.138 0.000 0.195 205 K C 1.135 177.387 176.600 -0.579 0.000 1.045 205 K CA 0.442 56.514 56.287 -0.359 0.000 1.004 205 K CB 0.483 32.681 32.500 -0.505 0.000 0.837 205 K HN 0.081 nan 8.250 nan 0.000 0.510 206 F N 0.320 120.272 119.950 0.004 0.000 2.712 206 F HA 0.270 4.709 4.527 -0.147 0.000 0.297 206 F C 0.941 176.761 175.800 0.034 0.000 1.114 206 F CA 0.191 58.201 58.000 0.018 0.000 1.305 206 F CB 1.183 40.194 39.000 0.018 0.000 1.086 206 F HN 0.046 nan 8.300 nan 0.000 0.599 207 G N 1.054 109.959 108.800 0.174 0.000 2.515 207 G HA2 -0.139 3.738 3.960 -0.138 0.000 0.686 207 G HA3 -0.139 3.738 3.960 -0.138 0.000 0.686 207 G C 0.341 175.338 174.900 0.162 0.000 1.274 207 G CA -0.214 44.965 45.100 0.132 0.000 0.874 207 G HN 0.338 nan 8.290 nan 0.000 0.631 208 E N -0.334 119.946 120.200 0.133 0.000 2.208 208 E HA -0.085 4.182 4.350 -0.138 0.000 0.193 208 E C 2.295 179.019 176.600 0.207 0.000 0.988 208 E CA 1.494 57.994 56.400 0.167 0.000 0.828 208 E CB -0.023 29.747 29.700 0.116 0.000 0.763 208 E HN 0.639 nan 8.360 nan 0.000 0.478 209 R N 0.462 121.060 120.500 0.162 0.000 2.096 209 R HA -0.032 4.225 4.340 -0.138 0.000 0.235 209 R C 2.257 178.653 176.300 0.161 0.000 1.127 209 R CA 1.465 57.656 56.100 0.152 0.000 0.968 209 R CB -1.265 29.111 30.300 0.127 0.000 0.861 209 R HN 0.525 nan 8.270 nan 0.000 0.440 210 A N -0.386 122.539 122.820 0.174 0.000 1.855 210 A HA -0.033 4.204 4.320 -0.138 0.000 0.215 210 A C 2.137 179.823 177.584 0.169 0.000 1.191 210 A CA 1.583 53.710 52.037 0.149 0.000 0.613 210 A CB -0.883 18.215 19.000 0.164 0.000 0.829 210 A HN 0.655 nan 8.150 nan 0.000 0.442 211 F N 0.519 120.521 119.950 0.087 0.000 2.171 211 F HA -0.141 4.293 4.527 -0.155 0.000 0.300 211 F C 2.107 178.017 175.800 0.184 0.000 1.090 211 F CA 2.145 60.204 58.000 0.097 0.000 1.293 211 F CB -0.117 38.906 39.000 0.038 0.000 1.013 211 F HN 0.129 nan 8.300 nan 0.000 0.486 212 K N 0.102 120.659 120.400 0.262 0.000 2.097 212 K HA -0.126 4.112 4.320 -0.138 0.000 0.206 212 K C 2.268 178.902 176.600 0.057 0.000 1.049 212 K CA 1.191 57.579 56.287 0.168 0.000 0.933 212 K CB -0.446 32.165 32.500 0.185 0.000 0.717 212 K HN 0.356 nan 8.250 nan 0.000 0.442 213 A N -0.017 122.846 122.820 0.071 0.000 1.898 213 A HA -0.188 4.049 4.320 -0.138 0.000 0.216 213 A C 1.938 179.508 177.584 -0.024 0.000 1.181 213 A CA 1.356 53.417 52.037 0.041 0.000 0.620 213 A CB -0.956 18.079 19.000 0.059 0.000 0.819 213 A HN 0.647 nan 8.150 nan 0.000 0.442 214 W N 0.768 121.930 121.300 -0.229 0.000 2.358 214 W HA -0.120 4.478 4.660 -0.103 0.000 0.303 214 W C 2.338 178.651 176.519 -0.343 0.000 1.208 214 W CA 2.205 59.369 57.345 -0.301 0.000 1.274 214 W CB -0.102 29.125 29.460 -0.389 0.000 1.138 214 W HN 0.343 nan 8.180 nan 0.000 0.515 215 A N -0.197 122.446 122.820 -0.294 0.000 1.898 215 A HA -0.152 4.085 4.320 -0.138 0.000 0.216 215 A C 2.001 179.387 177.584 -0.329 0.000 1.181 215 A CA 2.149 53.945 52.037 -0.403 0.000 0.620 215 A CB -1.196 17.692 19.000 -0.187 0.000 0.819 215 A HN 0.187 nan 8.150 nan 0.000 0.442 216 V N -0.033 119.773 119.914 -0.180 0.000 2.287 216 V HA -0.277 3.760 4.120 -0.138 0.000 0.248 216 V C 3.062 179.071 176.094 -0.141 0.000 1.053 216 V CA 2.051 64.303 62.300 -0.080 0.000 1.027 216 V CB -1.316 30.527 31.823 0.034 0.000 0.646 216 V HN 0.623 nan 8.190 nan 0.000 0.447 217 A N 0.175 122.846 122.820 -0.248 0.000 1.858 217 A HA -0.265 3.973 4.320 -0.138 0.000 0.216 217 A C 2.309 179.654 177.584 -0.399 0.000 1.190 217 A CA 2.261 54.120 52.037 -0.297 0.000 0.617 217 A CB -0.594 18.207 19.000 -0.331 0.000 0.827 217 A HN 0.439 nan 8.150 nan 0.000 0.443 218 R N 0.101 120.211 120.500 -0.650 0.000 2.080 218 R HA -0.066 4.191 4.340 -0.138 0.000 0.236 218 R C 2.004 178.000 176.300 -0.505 0.000 1.137 218 R CA 1.896 57.576 56.100 -0.700 0.000 0.943 218 R CB -0.886 28.693 30.300 -1.201 0.000 0.846 218 R HN 0.535 nan 8.270 nan 0.000 0.431 219 L N -0.277 120.692 121.223 -0.423 0.000 2.083 219 L HA -0.136 4.121 4.340 -0.138 0.000 0.209 219 L C 2.235 178.964 176.870 -0.235 0.000 1.083 219 L CA 1.666 56.307 54.840 -0.332 0.000 0.752 219 L CB -0.520 41.486 42.059 -0.089 0.000 0.899 219 L HN 0.225 nan 8.230 nan 0.000 0.433 220 S N -0.789 114.845 115.700 -0.112 0.000 2.402 220 S HA -0.195 4.193 4.470 -0.138 0.000 0.229 220 S C 1.913 176.426 174.600 -0.145 0.000 1.021 220 S CA 1.013 59.205 58.200 -0.013 0.000 0.974 220 S CB -0.094 63.130 63.200 0.040 0.000 0.800 220 S HN 0.423 nan 8.310 nan 0.000 0.484 221 Q N 0.613 120.273 119.800 -0.233 0.000 2.046 221 Q HA 0.016 4.273 4.340 -0.138 0.000 0.200 221 Q C 2.488 178.333 176.000 -0.258 0.000 0.975 221 Q CA 1.010 56.669 55.803 -0.239 0.000 0.836 221 Q CB -0.046 28.538 28.738 -0.257 0.000 0.896 221 Q HN 0.381 nan 8.270 nan 0.000 0.428 222 R N -0.587 119.669 120.500 -0.406 0.000 2.075 222 R HA -0.068 4.189 4.340 -0.138 0.000 0.232 222 R C 0.008 176.066 176.300 -0.404 0.000 1.126 222 R CA 0.811 56.578 56.100 -0.555 0.000 0.963 222 R CB 0.250 29.938 30.300 -1.020 0.000 0.858 222 R HN 0.080 nan 8.270 nan 0.000 0.435 223 F N 0.033 119.960 119.950 -0.039 0.000 2.389 223 F HA 0.355 4.800 4.527 -0.135 0.000 0.327 223 F C -1.895 173.907 175.800 0.003 0.000 1.204 223 F CA -3.241 54.753 58.000 -0.010 0.000 1.209 223 F CB 1.077 40.087 39.000 0.015 0.000 1.460 223 F HN -0.132 nan 8.300 nan 0.000 0.537 224 P HA -0.186 nan 4.420 nan 0.000 0.215 224 P C 1.305 178.642 177.300 0.061 0.000 1.153 224 P CA 1.680 64.787 63.100 0.010 0.000 0.853 224 P CB 0.251 31.920 31.700 -0.053 0.000 0.788 225 K N -0.607 119.846 120.400 0.088 0.000 2.365 225 K HA 0.113 4.350 4.320 -0.138 0.000 0.199 225 K C 1.101 177.776 176.600 0.125 0.000 1.045 225 K CA 0.308 56.644 56.287 0.082 0.000 0.962 225 K CB -0.438 32.093 32.500 0.052 0.000 0.759 225 K HN 0.099 nan 8.250 nan 0.000 0.469 226 A N 2.166 125.091 122.820 0.176 0.000 2.445 226 A HA 0.277 4.514 4.320 -0.138 0.000 0.242 226 A C 0.320 178.054 177.584 0.249 0.000 1.075 226 A CA 0.112 52.254 52.037 0.175 0.000 0.777 226 A CB 0.007 19.128 19.000 0.201 0.000 1.013 226 A HN 0.380 nan 8.150 nan 0.000 0.493 227 E N 0.587 120.872 120.200 0.143 0.000 2.319 227 E HA 0.448 4.715 4.350 -0.138 0.000 0.268 227 E C 0.466 177.016 176.600 -0.082 0.000 1.050 227 E CA -0.142 56.325 56.400 0.113 0.000 0.878 227 E CB 0.191 29.936 29.700 0.074 0.000 1.066 227 E HN 0.938 nan 8.360 nan 0.000 0.406 228 F N 1.539 121.171 119.950 -0.530 0.000 2.120 228 F HA -0.113 4.330 4.527 -0.139 0.000 0.300 228 F C 2.470 178.086 175.800 -0.306 0.000 1.095 228 F CA 2.596 60.122 58.000 -0.789 0.000 1.249 228 F CB -0.560 38.006 39.000 -0.723 0.000 0.995 228 F HN 0.578 nan 8.300 nan 0.000 0.480 229 A N -0.522 122.175 122.820 -0.205 0.000 1.940 229 A HA -0.239 3.998 4.320 -0.138 0.000 0.219 229 A C 2.086 179.554 177.584 -0.194 0.000 1.176 229 A CA 1.923 53.837 52.037 -0.204 0.000 0.631 229 A CB -0.850 18.124 19.000 -0.043 0.000 0.814 229 A HN 0.478 nan 8.150 nan 0.000 0.446 230 E N -0.207 119.920 120.200 -0.121 0.000 2.046 230 E HA -0.079 4.188 4.350 -0.138 0.000 0.190 230 E C 1.864 178.424 176.600 -0.066 0.000 0.982 230 E CA 1.359 57.731 56.400 -0.046 0.000 0.800 230 E CB -0.365 29.342 29.700 0.012 0.000 0.756 230 E HN 0.235 nan 8.360 nan 0.000 0.449 231 V N 0.687 120.534 119.914 -0.111 0.000 2.332 231 V HA -0.301 3.736 4.120 -0.138 0.000 0.248 231 V C 2.288 178.290 176.094 -0.154 0.000 1.055 231 V CA 2.044 64.302 62.300 -0.070 0.000 1.038 231 V CB -0.819 30.973 31.823 -0.051 0.000 0.651 231 V HN 0.267 nan 8.190 nan 0.000 0.450 232 S N -0.234 115.253 115.700 -0.354 0.000 2.359 232 S HA -0.262 4.125 4.470 -0.138 0.000 0.224 232 S C 1.997 176.503 174.600 -0.158 0.000 1.035 232 S CA 1.607 59.614 58.200 -0.321 0.000 1.018 232 S CB -0.399 62.505 63.200 -0.493 0.000 0.876 232 S HN 0.531 nan 8.310 nan 0.000 0.448 233 K N 1.659 121.973 120.400 -0.144 0.000 2.020 233 K HA -0.096 4.141 4.320 -0.138 0.000 0.212 233 K C 2.093 178.644 176.600 -0.083 0.000 1.050 233 K CA 1.382 57.600 56.287 -0.115 0.000 0.929 233 K CB -0.647 31.780 32.500 -0.122 0.000 0.714 233 K HN 0.378 nan 8.250 nan 0.000 0.443 234 L N 0.751 121.955 121.223 -0.032 0.000 2.012 234 L HA -0.206 4.051 4.340 -0.138 0.000 0.210 234 L C 2.606 179.516 176.870 0.068 0.000 1.073 234 L CA 1.127 55.992 54.840 0.040 0.000 0.748 234 L CB -0.642 41.488 42.059 0.119 0.000 0.891 234 L HN -0.012 nan 8.230 nan 0.000 0.431 235 V N -0.182 119.759 119.914 0.046 0.000 2.343 235 V HA -0.273 3.764 4.120 -0.138 0.000 0.247 235 V C 2.601 178.765 176.094 0.117 0.000 1.051 235 V CA 2.351 64.703 62.300 0.086 0.000 1.036 235 V CB -0.888 30.955 31.823 0.033 0.000 0.654 235 V HN 0.542 nan 8.190 nan 0.000 0.451 236 T N -0.402 114.182 114.554 0.050 0.000 2.684 236 T HA -0.211 4.056 4.350 -0.138 0.000 0.267 236 T C 1.619 176.356 174.700 0.062 0.000 1.036 236 T CA 1.742 63.871 62.100 0.048 0.000 1.148 236 T CB -0.391 68.475 68.868 -0.004 0.000 0.863 236 T HN 0.462 nan 8.240 nan 0.000 0.436 237 D N 1.089 121.511 120.400 0.036 0.000 2.084 237 D HA -0.027 4.531 4.640 -0.138 0.000 0.196 237 D C 2.116 178.476 176.300 0.100 0.000 0.985 237 D CA 0.587 54.608 54.000 0.035 0.000 0.826 237 D CB -0.679 40.115 40.800 -0.009 0.000 0.978 237 D HN 0.147 nan 8.370 nan 0.000 0.456 238 L N 1.073 122.397 121.223 0.168 0.000 2.081 238 L HA -0.184 4.073 4.340 -0.138 0.000 0.212 238 L C 2.112 179.184 176.870 0.338 0.000 1.080 238 L CA 1.794 56.804 54.840 0.283 0.000 0.754 238 L CB -0.959 41.316 42.059 0.361 0.000 0.893 238 L HN -0.025 nan 8.230 nan 0.000 0.433 239 T N -0.544 114.203 114.554 0.322 0.000 2.708 239 T HA -0.227 4.040 4.350 -0.138 0.000 0.266 239 T C 1.892 176.602 174.700 0.016 0.000 1.037 239 T CA 1.684 63.907 62.100 0.205 0.000 1.146 239 T CB -0.231 68.792 68.868 0.259 0.000 0.865 239 T HN 0.361 nan 8.240 nan 0.000 0.435 240 K N 0.868 121.296 120.400 0.047 0.000 2.026 240 K HA -0.106 4.131 4.320 -0.138 0.000 0.208 240 K C 2.263 178.858 176.600 -0.009 0.000 1.048 240 K CA 1.159 57.451 56.287 0.008 0.000 0.929 240 K CB -0.417 32.091 32.500 0.013 0.000 0.713 240 K HN 0.161 nan 8.250 nan 0.000 0.439 241 V N 1.310 121.226 119.914 0.003 0.000 2.252 241 V HA -0.285 3.752 4.120 -0.138 0.000 0.249 241 V C 2.367 178.395 176.094 -0.110 0.000 1.056 241 V CA 2.003 64.278 62.300 -0.042 0.000 1.022 241 V CB -0.714 31.087 31.823 -0.037 0.000 0.641 241 V HN 0.455 nan 8.190 nan 0.000 0.445 242 H N -0.199 118.830 119.070 -0.069 0.000 2.495 242 H HA -0.068 4.406 4.556 -0.137 0.000 0.287 242 H C 2.411 177.622 175.328 -0.195 0.000 1.033 242 H CA 1.760 57.697 56.048 -0.186 0.000 1.307 242 H CB -0.199 29.310 29.762 -0.421 0.000 1.401 242 H HN 0.467 nan 8.280 nan 0.000 0.555 243 T N 0.436 114.939 114.554 -0.085 0.000 2.777 243 T HA -0.097 4.171 4.350 -0.138 0.000 0.266 243 T C 1.884 176.594 174.700 0.018 0.000 1.040 243 T CA 1.059 63.125 62.100 -0.057 0.000 1.141 243 T CB 0.070 68.907 68.868 -0.051 0.000 0.868 243 T HN 0.467 nan 8.240 nan 0.000 0.444 244 E N 0.144 120.349 120.200 0.009 0.000 2.028 244 E HA -0.080 4.187 4.350 -0.138 0.000 0.191 244 E C 2.454 179.076 176.600 0.037 0.000 0.988 244 E CA 0.958 57.376 56.400 0.031 0.000 0.799 244 E CB -0.276 29.420 29.700 -0.006 0.000 0.755 244 E HN 0.352 nan 8.360 nan 0.000 0.447 245 c N 0.272 118.885 118.600 0.023 0.000 2.411 245 c HA -0.151 4.336 4.570 -0.138 0.000 0.279 245 c C 2.712 176.828 174.090 0.044 0.000 1.288 245 c CA 0.454 56.809 56.329 0.044 0.000 1.764 245 c CB -0.769 41.824 42.510 0.138 0.000 1.974 245 c HN 0.614 nan 8.230 nan 0.000 0.498 246 c N -2.299 116.338 118.600 0.061 0.000 2.485 246 c HA -0.004 4.483 4.570 -0.138 0.000 0.277 246 c C 2.295 176.424 174.090 0.065 0.000 1.376 246 c CA 0.664 57.043 56.329 0.083 0.000 1.759 246 c CB -1.717 40.836 42.510 0.073 0.000 1.970 246 c HN 0.748 nan 8.230 nan 0.000 0.509 247 H N 0.325 119.404 119.070 0.015 0.000 2.556 247 H HA 0.231 4.704 4.556 -0.138 0.000 0.268 247 H C 1.698 177.047 175.328 0.035 0.000 0.996 247 H CA 1.024 57.096 56.048 0.040 0.000 1.157 247 H CB -0.298 29.500 29.762 0.060 0.000 1.355 247 H HN 0.451 nan 8.280 nan 0.000 0.597 248 G N 0.259 109.017 108.800 -0.069 0.000 2.175 248 G HA2 -0.234 3.643 3.960 -0.138 0.000 0.244 248 G HA3 -0.234 3.643 3.960 -0.138 0.000 0.244 248 G C -0.356 174.451 174.900 -0.155 0.000 0.982 248 G CA 0.170 45.151 45.100 -0.198 0.000 0.641 248 G HN 0.504 nan 8.290 nan 0.000 0.527 249 D N 1.484 121.863 120.400 -0.034 0.000 2.522 249 D HA 0.387 4.944 4.640 -0.138 0.000 0.218 249 D C 1.917 178.146 176.300 -0.118 0.000 1.149 249 D CA -0.308 53.639 54.000 -0.088 0.000 0.981 249 D CB 0.361 41.152 40.800 -0.016 0.000 1.041 249 D HN 0.354 nan 8.370 nan 0.000 0.518 250 L N 0.067 121.180 121.223 -0.184 0.000 2.109 250 L HA -0.094 4.163 4.340 -0.138 0.000 0.207 250 L C 2.308 179.105 176.870 -0.122 0.000 1.086 250 L CA 0.617 55.369 54.840 -0.147 0.000 0.760 250 L CB -0.289 41.663 42.059 -0.179 0.000 0.910 250 L HN 0.244 nan 8.230 nan 0.000 0.437 251 L N 0.125 121.267 121.223 -0.135 0.000 2.017 251 L HA -0.174 4.083 4.340 -0.138 0.000 0.208 251 L C 2.894 179.721 176.870 -0.070 0.000 1.073 251 L CA 1.253 56.038 54.840 -0.091 0.000 0.745 251 L CB -0.650 41.371 42.059 -0.063 0.000 0.894 251 L HN 0.396 nan 8.230 nan 0.000 0.432 252 E N -0.281 119.873 120.200 -0.078 0.000 2.152 252 E HA -0.222 4.046 4.350 -0.138 0.000 0.192 252 E C 2.346 178.910 176.600 -0.059 0.000 0.983 252 E CA 1.394 57.748 56.400 -0.076 0.000 0.818 252 E CB -0.980 28.676 29.700 -0.074 0.000 0.758 252 E HN 0.552 nan 8.360 nan 0.000 0.467 253 c N 1.695 120.261 118.600 -0.056 0.000 2.453 253 c HA 0.132 4.619 4.570 -0.138 0.000 0.277 253 c C 3.048 177.109 174.090 -0.049 0.000 1.262 253 c CA 1.368 57.672 56.329 -0.041 0.000 1.718 253 c CB -0.980 41.514 42.510 -0.027 0.000 2.031 253 c HN 0.524 nan 8.230 nan 0.000 0.480 254 A N -0.041 122.740 122.820 -0.065 0.000 1.902 254 A HA -0.167 4.070 4.320 -0.138 0.000 0.217 254 A C 2.083 179.643 177.584 -0.039 0.000 1.181 254 A CA 2.182 54.179 52.037 -0.066 0.000 0.623 254 A CB -0.903 18.060 19.000 -0.063 0.000 0.818 254 A HN 0.684 nan 8.150 nan 0.000 0.443 255 D N 0.024 120.401 120.400 -0.038 0.000 2.084 255 D HA -0.144 4.413 4.640 -0.138 0.000 0.194 255 D C 1.348 177.638 176.300 -0.017 0.000 0.990 255 D CA 1.407 55.390 54.000 -0.029 0.000 0.826 255 D CB -0.283 40.480 40.800 -0.062 0.000 0.971 255 D HN 0.359 nan 8.370 nan 0.000 0.453 256 D N 0.087 120.474 120.400 -0.023 0.000 2.144 256 D HA -0.153 4.405 4.640 -0.138 0.000 0.199 256 D C 2.117 178.425 176.300 0.013 0.000 0.984 256 D CA 0.469 54.466 54.000 -0.006 0.000 0.834 256 D CB -0.159 40.634 40.800 -0.012 0.000 0.955 256 D HN 0.247 nan 8.370 nan 0.000 0.465 257 R N 0.684 121.188 120.500 0.008 0.000 2.096 257 R HA -0.099 4.158 4.340 -0.138 0.000 0.235 257 R C 2.095 178.418 176.300 0.039 0.000 1.127 257 R CA 1.337 57.455 56.100 0.029 0.000 0.968 257 R CB -0.066 30.234 30.300 -0.001 0.000 0.861 257 R HN 0.079 nan 8.270 nan 0.000 0.440 258 A N 0.899 123.734 122.820 0.025 0.000 1.930 258 A HA -0.142 4.095 4.320 -0.138 0.000 0.217 258 A C 1.557 179.171 177.584 0.051 0.000 1.175 258 A CA 1.648 53.706 52.037 0.035 0.000 0.627 258 A CB -0.329 18.687 19.000 0.027 0.000 0.815 258 A HN 0.316 nan 8.150 nan 0.000 0.443 259 D N -0.475 119.954 120.400 0.048 0.000 2.144 259 D HA -0.112 4.446 4.640 -0.138 0.000 0.199 259 D C 1.760 178.117 176.300 0.095 0.000 0.984 259 D CA 0.869 54.907 54.000 0.063 0.000 0.834 259 D CB -0.263 40.563 40.800 0.044 0.000 0.955 259 D HN 0.324 nan 8.370 nan 0.000 0.465 260 L N 0.850 122.126 121.223 0.088 0.000 2.056 260 L HA 0.024 4.281 4.340 -0.138 0.000 0.207 260 L C 2.083 179.045 176.870 0.154 0.000 1.078 260 L CA 1.510 56.423 54.840 0.123 0.000 0.749 260 L CB -1.007 41.116 42.059 0.107 0.000 0.901 260 L HN -0.032 nan 8.230 nan 0.000 0.433 261 A N -0.558 122.328 122.820 0.110 0.000 1.902 261 A HA -0.268 3.969 4.320 -0.138 0.000 0.217 261 A C 2.453 180.082 177.584 0.075 0.000 1.181 261 A CA 1.961 54.051 52.037 0.088 0.000 0.623 261 A CB -0.611 18.429 19.000 0.067 0.000 0.818 261 A HN 0.495 nan 8.150 nan 0.000 0.443 262 K N -1.675 118.775 120.400 0.082 0.000 2.009 262 K HA -0.234 4.004 4.320 -0.138 0.000 0.210 262 K C 1.964 178.605 176.600 0.069 0.000 1.049 262 K CA 1.962 58.289 56.287 0.067 0.000 0.929 262 K CB -0.440 32.105 32.500 0.076 0.000 0.714 262 K HN 0.522 nan 8.250 nan 0.000 0.440 263 Y N 1.516 121.819 120.300 0.005 0.000 2.089 263 Y HA -0.221 4.246 4.550 -0.139 0.000 0.282 263 Y C 1.944 177.831 175.900 -0.022 0.000 1.139 263 Y CA 1.988 60.085 58.100 -0.005 0.000 1.123 263 Y CB -0.355 38.105 38.460 0.001 0.000 0.980 263 Y HN 0.030 nan 8.280 nan 0.000 0.493 264 I N -0.799 119.804 120.570 0.054 0.000 2.236 264 I HA -0.441 3.646 4.170 -0.138 0.000 0.249 264 I C 2.518 178.535 176.117 -0.167 0.000 1.102 264 I CA 1.504 62.759 61.300 -0.075 0.000 1.365 264 I CB -0.691 37.325 38.000 0.027 0.000 1.051 264 I HN 0.383 nan 8.210 nan 0.000 0.420 265 c N 0.098 118.638 118.600 -0.101 0.000 2.450 265 c HA -0.092 4.395 4.570 -0.138 0.000 0.279 265 c C 2.712 176.725 174.090 -0.128 0.000 1.335 265 c CA 0.555 56.829 56.329 -0.092 0.000 1.749 265 c CB -0.863 41.624 42.510 -0.038 0.000 1.963 265 c HN 0.478 nan 8.230 nan 0.000 0.501 266 E N 1.015 121.110 120.200 -0.174 0.000 2.047 266 E HA -0.117 4.150 4.350 -0.138 0.000 0.191 266 E C 0.449 176.909 176.600 -0.234 0.000 0.987 266 E CA 0.962 57.253 56.400 -0.183 0.000 0.799 266 E CB -0.051 29.535 29.700 -0.190 0.000 0.752 266 E HN 0.666 nan 8.360 nan 0.000 0.449 267 N N 0.997 119.469 118.700 -0.380 0.000 2.802 267 N HA 0.018 4.675 4.740 -0.138 0.000 0.288 267 N C 0.547 175.906 175.510 -0.252 0.000 1.268 267 N CA -0.063 52.786 53.050 -0.336 0.000 1.035 267 N CB 0.472 38.661 38.487 -0.497 0.000 1.353 267 N HN 0.148 nan 8.380 nan 0.000 0.522 268 Q N 0.696 120.380 119.800 -0.193 0.000 2.045 268 Q HA -0.200 4.057 4.340 -0.138 0.000 0.206 268 Q C 0.541 176.460 176.000 -0.135 0.000 0.991 268 Q CA 1.503 57.211 55.803 -0.158 0.000 0.851 268 Q CB 0.108 28.780 28.738 -0.109 0.000 0.911 268 Q HN 0.539 nan 8.270 nan 0.000 0.418 269 D N -0.508 119.830 120.400 -0.104 0.000 2.263 269 D HA -0.087 4.470 4.640 -0.138 0.000 0.208 269 D C 1.545 177.800 176.300 -0.075 0.000 0.971 269 D CA 0.885 54.840 54.000 -0.075 0.000 0.867 269 D CB 0.043 40.809 40.800 -0.056 0.000 0.929 269 D HN 0.136 nan 8.370 nan 0.000 0.492 270 S N -0.183 115.457 115.700 -0.099 0.000 2.528 270 S HA 0.111 4.499 4.470 -0.138 0.000 0.219 270 S C 1.877 176.420 174.600 -0.095 0.000 0.985 270 S CA 0.048 58.200 58.200 -0.080 0.000 0.914 270 S CB 0.565 63.718 63.200 -0.080 0.000 0.776 270 S HN 0.201 nan 8.310 nan 0.000 0.526 271 I N -0.849 119.618 120.570 -0.172 0.000 3.744 271 I HA 0.223 4.310 4.170 -0.138 0.000 0.240 271 I C 0.823 176.782 176.117 -0.262 0.000 1.096 271 I CA 0.214 61.342 61.300 -0.287 0.000 1.558 271 I CB 0.319 37.999 38.000 -0.533 0.000 1.531 271 I HN 0.073 nan 8.210 nan 0.000 0.459 272 S N -1.013 114.523 115.700 -0.273 0.000 2.627 272 S HA 0.369 4.756 4.470 -0.138 0.000 0.283 272 S C 0.367 174.937 174.600 -0.050 0.000 1.127 272 S CA -0.057 58.092 58.200 -0.086 0.000 0.863 272 S CB 1.549 64.759 63.200 0.017 0.000 1.121 272 S HN 0.262 nan 8.310 nan 0.000 0.479 273 S N 1.185 116.887 115.700 0.003 0.000 2.524 273 S HA 0.255 4.642 4.470 -0.138 0.000 0.215 273 S C 0.523 175.129 174.600 0.010 0.000 0.986 273 S CA -0.298 57.900 58.200 -0.003 0.000 0.911 273 S CB -0.116 63.085 63.200 0.002 0.000 0.805 273 S HN 0.626 nan 8.310 nan 0.000 0.501 274 K N 1.116 121.536 120.400 0.033 0.000 2.437 274 K HA 0.378 4.615 4.320 -0.138 0.000 0.205 274 K C 0.842 177.466 176.600 0.041 0.000 1.026 274 K CA -0.093 56.218 56.287 0.040 0.000 1.153 274 K CB 0.073 32.607 32.500 0.056 0.000 0.863 274 K HN 0.385 nan 8.250 nan 0.000 0.502 275 L N 1.070 122.304 121.223 0.019 0.000 2.249 275 L HA -0.107 4.150 4.340 -0.138 0.000 0.207 275 L C 1.993 178.864 176.870 0.002 0.000 1.090 275 L CA 0.704 55.549 54.840 0.009 0.000 0.802 275 L CB -0.296 41.738 42.059 -0.040 0.000 0.947 275 L HN 0.127 nan 8.230 nan 0.000 0.453 276 K N 0.889 121.286 120.400 -0.006 0.000 2.056 276 K HA -0.352 3.885 4.320 -0.138 0.000 0.225 276 K C 1.723 178.327 176.600 0.006 0.000 1.053 276 K CA 2.502 58.787 56.287 -0.004 0.000 0.966 276 K CB -0.913 31.585 32.500 -0.003 0.000 0.735 276 K HN 0.235 nan 8.250 nan 0.000 0.455 277 E N 0.128 120.337 120.200 0.014 0.000 2.267 277 E HA -0.171 4.097 4.350 -0.138 0.000 0.197 277 E C 1.285 177.902 176.600 0.028 0.000 0.998 277 E CA 1.382 57.795 56.400 0.022 0.000 0.830 277 E CB -0.059 29.656 29.700 0.026 0.000 0.751 277 E HN 0.563 nan 8.360 nan 0.000 0.491 278 c N -0.600 118.017 118.600 0.027 0.000 2.504 278 c HA 0.039 4.526 4.570 -0.138 0.000 0.279 278 c C 2.502 176.608 174.090 0.027 0.000 1.358 278 c CA -0.196 56.152 56.329 0.032 0.000 1.747 278 c CB -0.641 41.890 42.510 0.035 0.000 2.037 278 c HN 0.593 nan 8.230 nan 0.000 0.503 279 c N 1.096 119.705 118.600 0.015 0.000 2.522 279 c HA 0.010 4.497 4.570 -0.138 0.000 0.271 279 c C 1.968 176.065 174.090 0.012 0.000 1.425 279 c CA 0.700 57.034 56.329 0.008 0.000 1.751 279 c CB -1.345 41.160 42.510 -0.009 0.000 1.775 279 c HN 0.568 nan 8.230 nan 0.000 0.557 280 E N 1.317 121.527 120.200 0.018 0.000 2.444 280 E HA 0.084 4.352 4.350 -0.138 0.000 0.191 280 E C 0.406 177.022 176.600 0.027 0.000 1.041 280 E CA 0.326 56.737 56.400 0.019 0.000 0.883 280 E CB 0.123 29.834 29.700 0.018 0.000 1.024 280 E HN 0.771 nan 8.360 nan 0.000 0.470 281 K N -0.478 119.942 120.400 0.034 0.000 2.399 281 K HA 0.579 4.817 4.320 -0.138 0.000 0.260 281 K C -2.872 173.757 176.600 0.048 0.000 1.049 281 K CA -2.331 53.982 56.287 0.043 0.000 0.890 281 K CB -0.054 32.478 32.500 0.054 0.000 1.430 281 K HN -0.336 nan 8.250 nan 0.000 0.459 282 P HA -0.114 nan 4.420 nan 0.000 0.258 282 P C 0.653 177.996 177.300 0.072 0.000 1.172 282 P CA -0.101 63.038 63.100 0.064 0.000 0.762 282 P CB 0.208 31.953 31.700 0.075 0.000 0.764 283 L N 6.071 127.331 121.223 0.061 0.000 2.012 283 L HA -0.305 3.952 4.340 -0.138 0.000 0.236 283 L C 1.801 178.713 176.870 0.069 0.000 1.099 283 L CA 2.184 57.059 54.840 0.058 0.000 0.821 283 L CB -1.642 40.448 42.059 0.051 0.000 0.918 283 L HN 0.321 nan 8.230 nan 0.000 0.445 284 L N -0.971 120.310 121.223 0.095 0.000 2.085 284 L HA -0.310 3.947 4.340 -0.138 0.000 0.218 284 L C 2.670 179.604 176.870 0.108 0.000 1.080 284 L CA 2.366 57.288 54.840 0.137 0.000 0.776 284 L CB -1.024 41.171 42.059 0.227 0.000 0.891 284 L HN 0.518 nan 8.230 nan 0.000 0.437 285 E N -0.435 119.858 120.200 0.154 0.000 2.208 285 E HA -0.181 4.087 4.350 -0.138 0.000 0.193 285 E C 2.100 178.721 176.600 0.035 0.000 0.988 285 E CA 0.751 57.222 56.400 0.118 0.000 0.828 285 E CB 0.009 29.825 29.700 0.193 0.000 0.763 285 E HN 0.314 nan 8.360 nan 0.000 0.478 286 K N -0.079 120.348 120.400 0.045 0.000 2.097 286 K HA -0.026 4.212 4.320 -0.138 0.000 0.205 286 K C 2.108 178.722 176.600 0.024 0.000 1.050 286 K CA 1.288 57.597 56.287 0.036 0.000 0.938 286 K CB -0.030 32.493 32.500 0.040 0.000 0.718 286 K HN -0.062 nan 8.250 nan 0.000 0.442 287 S N -0.514 115.194 115.700 0.014 0.000 2.355 287 S HA -0.157 4.230 4.470 -0.138 0.000 0.222 287 S C 1.733 176.324 174.600 -0.014 0.000 1.031 287 S CA 1.403 59.613 58.200 0.017 0.000 0.993 287 S CB -0.390 62.819 63.200 0.016 0.000 0.859 287 S HN 0.555 nan 8.310 nan 0.000 0.453 288 H N -0.591 118.333 119.070 -0.244 0.000 2.457 288 H HA -0.015 4.456 4.556 -0.142 0.000 0.294 288 H C 2.296 177.504 175.328 -0.199 0.000 1.064 288 H CA 1.566 57.397 56.048 -0.363 0.000 1.330 288 H CB -0.389 28.743 29.762 -1.050 0.000 1.395 288 H HN 0.424 nan 8.280 nan 0.000 0.541 289 c N -0.350 118.220 118.600 -0.051 0.000 2.508 289 c HA -0.021 4.466 4.570 -0.138 0.000 0.280 289 c C 2.674 176.754 174.090 -0.016 0.000 1.262 289 c CA 0.852 57.174 56.329 -0.012 0.000 1.706 289 c CB -1.166 41.366 42.510 0.036 0.000 2.078 289 c HN 0.695 nan 8.230 nan 0.000 0.480 290 I N 1.850 122.433 120.570 0.022 0.000 2.151 290 I HA -0.218 3.869 4.170 -0.138 0.000 0.243 290 I C 2.747 178.910 176.117 0.078 0.000 1.080 290 I CA 1.872 63.218 61.300 0.076 0.000 1.339 290 I CB -0.607 37.452 38.000 0.098 0.000 1.039 290 I HN 0.419 nan 8.210 nan 0.000 0.409 291 A N -0.295 122.545 122.820 0.033 0.000 2.178 291 A HA -0.130 4.107 4.320 -0.138 0.000 0.218 291 A C 1.655 179.217 177.584 -0.037 0.000 1.157 291 A CA 1.391 53.448 52.037 0.032 0.000 0.689 291 A CB -0.297 18.732 19.000 0.049 0.000 0.787 291 A HN 0.486 nan 8.150 nan 0.000 0.465 292 E N -0.582 119.565 120.200 -0.088 0.000 2.887 292 E HA 0.196 4.463 4.350 -0.138 0.000 0.206 292 E C -0.632 175.942 176.600 -0.044 0.000 0.983 292 E CA -0.198 56.146 56.400 -0.094 0.000 1.141 292 E CB 0.582 30.170 29.700 -0.187 0.000 1.061 292 E HN 0.241 nan 8.360 nan 0.000 0.468 293 V N 2.326 122.236 119.914 -0.008 0.000 2.881 293 V HA 0.051 4.089 4.120 -0.138 0.000 0.303 293 V C 0.272 176.360 176.094 -0.011 0.000 1.070 293 V CA -0.255 62.058 62.300 0.022 0.000 1.074 293 V CB 1.068 32.950 31.823 0.099 0.000 1.012 293 V HN 0.295 nan 8.190 nan 0.000 0.482 294 E N 5.245 125.444 120.200 -0.001 0.000 2.366 294 E HA 0.222 4.489 4.350 -0.138 0.000 0.266 294 E C -0.452 176.131 176.600 -0.029 0.000 1.051 294 E CA -0.754 55.630 56.400 -0.027 0.000 0.884 294 E CB 0.365 30.056 29.700 -0.015 0.000 1.006 294 E HN 0.703 nan 8.360 nan 0.000 0.417 295 N N 2.572 121.227 118.700 -0.074 0.000 2.345 295 N HA -0.061 4.596 4.740 -0.138 0.000 0.243 295 N C -0.289 175.213 175.510 -0.014 0.000 1.246 295 N CA 0.197 53.197 53.050 -0.082 0.000 0.863 295 N CB 0.212 38.630 38.487 -0.115 0.000 1.096 295 N HN 0.601 nan 8.380 nan 0.000 0.446 296 D N 0.451 120.872 120.400 0.035 0.000 2.377 296 D HA 0.092 4.649 4.640 -0.138 0.000 0.245 296 D C -0.241 176.061 176.300 0.003 0.000 1.196 296 D CA -0.141 53.889 54.000 0.051 0.000 0.962 296 D CB 0.692 41.557 40.800 0.108 0.000 1.127 296 D HN 0.266 nan 8.370 nan 0.000 0.471 297 E N 0.264 120.463 120.200 -0.003 0.000 2.404 297 E HA 0.110 4.377 4.350 -0.138 0.000 0.261 297 E C -0.135 176.445 176.600 -0.034 0.000 1.074 297 E CA 0.103 56.489 56.400 -0.024 0.000 0.917 297 E CB 0.481 30.169 29.700 -0.020 0.000 0.965 297 E HN 0.355 nan 8.360 nan 0.000 0.433 298 M N 3.587 123.153 119.600 -0.058 0.000 2.200 298 M HA 0.205 4.602 4.480 -0.138 0.000 0.355 298 M C -2.087 174.176 176.300 -0.062 0.000 1.283 298 M CA -1.657 53.597 55.300 -0.077 0.000 1.124 298 M CB 0.722 33.254 32.600 -0.114 0.000 1.625 298 M HN 0.231 nan 8.290 nan 0.000 0.463 299 P HA 0.023 nan 4.420 nan 0.000 0.262 299 P C -0.309 176.962 177.300 -0.049 0.000 1.182 299 P CA 0.012 63.088 63.100 -0.041 0.000 0.761 299 P CB 0.537 32.217 31.700 -0.033 0.000 0.795 300 A N 4.561 127.359 122.820 -0.036 0.000 2.106 300 A HA -0.171 4.066 4.320 -0.138 0.000 0.207 300 A C 0.533 178.093 177.584 -0.041 0.000 1.226 300 A CA 1.530 53.545 52.037 -0.037 0.000 0.783 300 A CB -1.249 17.736 19.000 -0.025 0.000 0.826 300 A HN 0.584 nan 8.150 nan 0.000 0.507 301 D N 0.614 120.995 120.400 -0.030 0.000 2.402 301 D HA 0.457 5.014 4.640 -0.138 0.000 0.235 301 D C -0.734 175.547 176.300 -0.031 0.000 1.226 301 D CA 0.391 54.373 54.000 -0.029 0.000 0.918 301 D CB 0.505 41.294 40.800 -0.019 0.000 1.043 301 D HN 0.255 nan 8.370 nan 0.000 0.506 302 L N 3.616 124.811 121.223 -0.046 0.000 2.322 302 L HA 0.370 4.627 4.340 -0.138 0.000 0.281 302 L C -1.607 175.237 176.870 -0.043 0.000 1.014 302 L CA -1.657 53.153 54.840 -0.050 0.000 0.815 302 L CB 1.676 43.684 42.059 -0.084 0.000 1.247 302 L HN 0.151 nan 8.230 nan 0.000 0.421 303 P HA 0.093 nan 4.420 nan 0.000 0.274 303 P C -0.565 176.723 177.300 -0.020 0.000 1.260 303 P CA -0.416 62.675 63.100 -0.015 0.000 0.793 303 P CB 0.867 32.569 31.700 0.003 0.000 1.048 304 S N -0.798 114.896 115.700 -0.009 0.000 2.610 304 S HA 0.179 4.566 4.470 -0.138 0.000 0.273 304 S C 1.442 176.066 174.600 0.040 0.000 1.274 304 S CA -0.681 57.514 58.200 -0.007 0.000 1.023 304 S CB 0.022 63.212 63.200 -0.017 0.000 0.962 304 S HN 0.371 nan 8.310 nan 0.000 0.523 305 L N 3.908 125.170 121.223 0.066 0.000 2.046 305 L HA -0.038 4.219 4.340 -0.138 0.000 0.208 305 L C 2.827 179.860 176.870 0.273 0.000 1.077 305 L CA 1.651 56.623 54.840 0.221 0.000 0.747 305 L CB -0.749 41.433 42.059 0.204 0.000 0.896 305 L HN 0.892 nan 8.230 nan 0.000 0.432 306 A N -0.062 122.767 122.820 0.016 0.000 2.042 306 A HA -0.278 3.959 4.320 -0.138 0.000 0.222 306 A C 2.487 180.085 177.584 0.024 0.000 1.167 306 A CA 1.848 53.809 52.037 -0.126 0.000 0.649 306 A CB -0.783 18.034 19.000 -0.306 0.000 0.809 306 A HN 0.449 nan 8.150 nan 0.000 0.457 307 A N 0.454 123.299 122.820 0.043 0.000 1.842 307 A HA -0.232 4.005 4.320 -0.138 0.000 0.217 307 A C 1.631 179.229 177.584 0.024 0.000 1.206 307 A CA 1.884 53.941 52.037 0.034 0.000 0.630 307 A CB -0.652 18.362 19.000 0.023 0.000 0.839 307 A HN 0.513 nan 8.150 nan 0.000 0.447 308 D N -1.959 118.415 120.400 -0.044 0.000 2.350 308 D HA 0.136 4.693 4.640 -0.138 0.000 0.213 308 D C 0.689 176.764 176.300 -0.376 0.000 1.031 308 D CA 0.482 54.339 54.000 -0.238 0.000 0.861 308 D CB 0.002 40.538 40.800 -0.441 0.000 0.926 308 D HN 0.492 nan 8.370 nan 0.000 0.520 309 F N -0.136 119.912 119.950 0.164 0.000 2.724 309 F HA 0.045 4.490 4.527 -0.136 0.000 0.306 309 F C 1.873 177.782 175.800 0.182 0.000 1.100 309 F CA -0.092 58.039 58.000 0.218 0.000 1.255 309 F CB 0.641 39.750 39.000 0.181 0.000 1.072 309 F HN -0.126 nan 8.300 nan 0.000 0.589 310 V N -5.107 114.949 119.914 0.237 0.000 3.294 310 V HA 0.283 4.320 4.120 -0.138 0.000 0.255 310 V C 1.231 177.436 176.094 0.184 0.000 1.528 310 V CA 0.168 62.564 62.300 0.160 0.000 1.086 310 V CB 0.313 32.195 31.823 0.100 0.000 0.906 310 V HN 0.069 nan 8.190 nan 0.000 0.433 311 E N 1.551 121.853 120.200 0.169 0.000 2.216 311 E HA 0.201 4.468 4.350 -0.138 0.000 0.192 311 E C 1.262 178.092 176.600 0.384 0.000 0.973 311 E CA 0.658 57.224 56.400 0.278 0.000 0.851 311 E CB 0.425 30.215 29.700 0.149 0.000 0.804 311 E HN 0.561 nan 8.360 nan 0.000 0.477 312 S N 0.873 116.710 115.700 0.228 0.000 2.566 312 S HA -0.069 4.318 4.470 -0.138 0.000 0.280 312 S C 0.986 175.760 174.600 0.290 0.000 1.343 312 S CA 0.066 58.373 58.200 0.178 0.000 1.036 312 S CB 0.574 63.828 63.200 0.090 0.000 0.866 312 S HN 0.209 nan 8.310 nan 0.000 0.526 313 K N 1.760 122.270 120.400 0.183 0.000 2.356 313 K HA 0.152 4.390 4.320 -0.138 0.000 0.195 313 K C 0.000 176.693 176.600 0.154 0.000 1.037 313 K CA 0.319 56.719 56.287 0.189 0.000 1.014 313 K CB 0.007 32.528 32.500 0.034 0.000 0.815 313 K HN 0.414 nan 8.250 nan 0.000 0.507 314 D N 1.551 122.007 120.400 0.094 0.000 2.340 314 D HA 0.008 4.565 4.640 -0.138 0.000 0.220 314 D C 1.642 177.932 176.300 -0.016 0.000 1.039 314 D CA 0.030 54.050 54.000 0.035 0.000 0.866 314 D CB 0.191 40.995 40.800 0.007 0.000 0.913 314 D HN -0.070 nan 8.370 nan 0.000 0.523 315 V N 0.590 120.518 119.914 0.024 0.000 2.215 315 V HA -0.381 3.656 4.120 -0.138 0.000 0.249 315 V C 2.608 178.570 176.094 -0.220 0.000 1.054 315 V CA 1.727 63.968 62.300 -0.099 0.000 1.012 315 V CB -0.776 30.934 31.823 -0.188 0.000 0.639 315 V HN 0.349 nan 8.190 nan 0.000 0.448 316 c N -0.154 118.416 118.600 -0.051 0.000 2.403 316 c HA -0.188 4.299 4.570 -0.138 0.000 0.277 316 c C 2.838 176.918 174.090 -0.016 0.000 1.248 316 c CA 1.562 57.899 56.329 0.014 0.000 1.762 316 c CB -1.079 41.505 42.510 0.123 0.000 2.014 316 c HN 0.634 nan 8.230 nan 0.000 0.486 317 K N 0.898 121.269 120.400 -0.050 0.000 2.025 317 K HA -0.128 4.109 4.320 -0.138 0.000 0.207 317 K C 1.692 178.212 176.600 -0.132 0.000 1.049 317 K CA 1.508 57.758 56.287 -0.063 0.000 0.933 317 K CB -0.504 31.973 32.500 -0.038 0.000 0.714 317 K HN 0.499 nan 8.250 nan 0.000 0.438 318 N N 0.213 118.766 118.700 -0.246 0.000 2.244 318 N HA -0.179 4.479 4.740 -0.138 0.000 0.183 318 N C 1.807 177.057 175.510 -0.433 0.000 1.016 318 N CA 0.940 53.784 53.050 -0.345 0.000 0.866 318 N CB -0.348 37.853 38.487 -0.477 0.000 0.980 318 N HN 0.270 nan 8.380 nan 0.000 0.430 319 Y N 1.981 121.857 120.300 -0.707 0.000 2.181 319 Y HA -0.086 4.380 4.550 -0.139 0.000 0.288 319 Y C 2.321 178.127 175.900 -0.156 0.000 1.146 319 Y CA 1.189 59.030 58.100 -0.432 0.000 1.164 319 Y CB -0.544 37.727 38.460 -0.314 0.000 0.982 319 Y HN 0.039 nan 8.280 nan 0.000 0.515 320 A N 0.342 123.036 122.820 -0.211 0.000 1.898 320 A HA -0.142 4.096 4.320 -0.138 0.000 0.216 320 A C 2.127 179.613 177.584 -0.164 0.000 1.181 320 A CA 1.596 53.499 52.037 -0.223 0.000 0.620 320 A CB -0.595 18.340 19.000 -0.108 0.000 0.819 320 A HN 0.600 nan 8.150 nan 0.000 0.442 321 E N -0.149 119.983 120.200 -0.112 0.000 2.005 321 E HA -0.046 4.222 4.350 -0.138 0.000 0.198 321 E C 0.847 177.424 176.600 -0.038 0.000 1.010 321 E CA 1.270 57.635 56.400 -0.059 0.000 0.825 321 E CB -0.183 29.495 29.700 -0.035 0.000 0.769 321 E HN 0.488 nan 8.360 nan 0.000 0.456 322 A N 1.162 123.979 122.820 -0.005 0.000 2.893 322 A HA 0.212 4.449 4.320 -0.138 0.000 0.333 322 A C 0.802 178.455 177.584 0.115 0.000 1.152 322 A CA -0.437 51.633 52.037 0.055 0.000 0.782 322 A CB 0.487 19.552 19.000 0.108 0.000 1.108 322 A HN 0.200 nan 8.150 nan 0.000 0.469 323 K N 0.852 121.255 120.400 0.005 0.000 2.020 323 K HA -0.223 4.014 4.320 -0.138 0.000 0.212 323 K C 0.781 177.554 176.600 0.289 0.000 1.050 323 K CA 2.405 58.738 56.287 0.077 0.000 0.929 323 K CB -0.112 32.200 32.500 -0.314 0.000 0.714 323 K HN 0.364 nan 8.250 nan 0.000 0.443 324 D N 0.243 120.759 120.400 0.192 0.000 2.123 324 D HA -0.127 4.430 4.640 -0.138 0.000 0.196 324 D C 1.978 178.442 176.300 0.273 0.000 0.992 324 D CA 1.488 55.619 54.000 0.218 0.000 0.833 324 D CB -0.102 40.793 40.800 0.158 0.000 0.954 324 D HN 0.168 nan 8.370 nan 0.000 0.455 325 V N 0.429 120.510 119.914 0.279 0.000 2.453 325 V HA -0.173 3.864 4.120 -0.138 0.000 0.247 325 V C 2.091 178.370 176.094 0.309 0.000 1.048 325 V CA 0.951 63.447 62.300 0.327 0.000 1.049 325 V CB -0.512 31.486 31.823 0.292 0.000 0.672 325 V HN 0.079 nan 8.190 nan 0.000 0.457 326 F N 0.683 120.758 119.950 0.207 0.000 2.075 326 F HA -0.138 4.307 4.527 -0.137 0.000 0.297 326 F C 2.064 178.063 175.800 0.333 0.000 1.113 326 F CA 1.642 59.798 58.000 0.259 0.000 1.218 326 F CB -0.330 38.860 39.000 0.317 0.000 0.984 326 F HN -0.003 nan 8.300 nan 0.000 0.472 327 L N -0.452 121.009 121.223 0.397 0.000 2.131 327 L HA -0.133 4.124 4.340 -0.138 0.000 0.210 327 L C 2.681 179.684 176.870 0.223 0.000 1.092 327 L CA 1.155 56.178 54.840 0.305 0.000 0.759 327 L CB -1.420 40.851 42.059 0.352 0.000 0.903 327 L HN 0.342 nan 8.230 nan 0.000 0.435 328 G N -0.636 108.299 108.800 0.226 0.000 2.402 328 G HA2 -0.257 3.620 3.960 -0.138 0.000 0.216 328 G HA3 -0.257 3.620 3.960 -0.138 0.000 0.216 328 G C 1.643 176.586 174.900 0.071 0.000 1.162 328 G CA 0.390 45.653 45.100 0.271 0.000 0.777 328 G HN 0.174 nan 8.290 nan 0.000 0.539 329 M N -0.647 118.768 119.600 -0.307 0.000 2.229 329 M HA 0.095 4.492 4.480 -0.138 0.000 0.264 329 M C 2.166 178.381 176.300 -0.142 0.000 1.063 329 M CA 0.991 55.953 55.300 -0.564 0.000 1.114 329 M CB -0.140 32.174 32.600 -0.476 0.000 1.387 329 M HN 0.313 nan 8.290 nan 0.000 0.420 330 F N 0.546 120.261 119.950 -0.392 0.000 2.084 330 F HA -0.236 4.208 4.527 -0.138 0.000 0.296 330 F C 1.817 177.336 175.800 -0.468 0.000 1.111 330 F CA 1.418 58.895 58.000 -0.872 0.000 1.224 330 F CB -0.569 37.874 39.000 -0.927 0.000 0.991 330 F HN 0.037 nan 8.300 nan 0.000 0.471 331 L N 0.154 121.201 121.223 -0.294 0.000 2.042 331 L HA -0.225 4.033 4.340 -0.138 0.000 0.210 331 L C 2.316 179.059 176.870 -0.211 0.000 1.076 331 L CA 2.259 56.919 54.840 -0.301 0.000 0.749 331 L CB -1.648 40.381 42.059 -0.051 0.000 0.893 331 L HN 0.472 nan 8.230 nan 0.000 0.432 332 Y N 0.030 120.235 120.300 -0.158 0.000 2.181 332 Y HA -0.185 4.281 4.550 -0.140 0.000 0.288 332 Y C 2.308 178.127 175.900 -0.134 0.000 1.146 332 Y CA 1.958 60.025 58.100 -0.055 0.000 1.164 332 Y CB -0.186 38.378 38.460 0.174 0.000 0.982 332 Y HN 0.262 nan 8.280 nan 0.000 0.515 333 E N -0.751 119.220 120.200 -0.382 0.000 2.152 333 E HA -0.197 4.071 4.350 -0.138 0.000 0.192 333 E C 1.860 178.178 176.600 -0.470 0.000 0.983 333 E CA 1.093 57.208 56.400 -0.476 0.000 0.818 333 E CB -0.556 29.008 29.700 -0.227 0.000 0.758 333 E HN 0.607 nan 8.360 nan 0.000 0.467 334 Y N 0.806 120.704 120.300 -0.669 0.000 2.314 334 Y HA 0.018 4.486 4.550 -0.137 0.000 0.294 334 Y C 2.228 177.882 175.900 -0.409 0.000 1.119 334 Y CA 0.937 58.675 58.100 -0.603 0.000 1.179 334 Y CB -0.224 37.652 38.460 -0.973 0.000 1.025 334 Y HN -0.007 nan 8.280 nan 0.000 0.541 335 A N 0.975 123.677 122.820 -0.197 0.000 1.929 335 A HA -0.149 4.089 4.320 -0.138 0.000 0.216 335 A C 2.316 179.764 177.584 -0.226 0.000 1.176 335 A CA 1.511 53.434 52.037 -0.189 0.000 0.628 335 A CB -0.640 18.234 19.000 -0.210 0.000 0.816 335 A HN 0.550 nan 8.150 nan 0.000 0.444 336 R N 0.446 120.757 120.500 -0.315 0.000 2.127 336 R HA -0.155 4.102 4.340 -0.138 0.000 0.238 336 R C 1.630 177.758 176.300 -0.287 0.000 1.134 336 R CA 1.629 57.541 56.100 -0.312 0.000 0.975 336 R CB -0.486 29.549 30.300 -0.442 0.000 0.865 336 R HN 0.601 nan 8.270 nan 0.000 0.447 337 R N -0.223 120.079 120.500 -0.331 0.000 2.317 337 R HA 0.161 4.419 4.340 -0.138 0.000 0.208 337 R C -0.078 175.839 176.300 -0.638 0.000 0.914 337 R CA 0.131 55.977 56.100 -0.424 0.000 1.060 337 R CB 0.156 30.187 30.300 -0.449 0.000 1.015 337 R HN 0.300 nan 8.270 nan 0.000 0.498 338 H N 1.464 120.323 119.070 -0.351 0.000 2.379 338 H HA 0.204 4.677 4.556 -0.139 0.000 0.229 338 H C -2.006 173.124 175.328 -0.329 0.000 1.423 338 H CA -1.740 54.028 56.048 -0.465 0.000 1.375 338 H CB 1.719 31.004 29.762 -0.795 0.000 1.592 338 H HN 0.058 nan 8.280 nan 0.000 0.507 339 P HA -0.045 nan 4.420 nan 0.000 0.245 339 P C 0.764 178.020 177.300 -0.073 0.000 1.212 339 P CA 0.575 63.597 63.100 -0.129 0.000 0.774 339 P CB 0.346 31.962 31.700 -0.141 0.000 0.999 340 D N -2.411 117.966 120.400 -0.038 0.000 2.340 340 D HA -0.065 4.492 4.640 -0.138 0.000 0.220 340 D C 0.175 176.619 176.300 0.240 0.000 1.039 340 D CA 0.049 54.086 54.000 0.062 0.000 0.866 340 D CB -0.545 40.302 40.800 0.078 0.000 0.913 340 D HN 0.082 nan 8.370 nan 0.000 0.523 341 Y N 1.611 121.889 120.300 -0.037 0.000 2.387 341 Y HA 0.379 4.845 4.550 -0.140 0.000 0.330 341 Y C 1.106 176.936 175.900 -0.117 0.000 1.133 341 Y CA -2.486 55.557 58.100 -0.095 0.000 1.152 341 Y CB 1.475 39.843 38.460 -0.153 0.000 1.215 341 Y HN -0.126 nan 8.280 nan 0.000 0.466 342 S N 0.026 115.732 115.700 0.011 0.000 2.603 342 S HA 0.234 4.621 4.470 -0.138 0.000 0.268 342 S C 0.912 175.468 174.600 -0.073 0.000 1.317 342 S CA -0.680 57.496 58.200 -0.040 0.000 1.012 342 S CB 1.032 64.200 63.200 -0.053 0.000 0.926 342 S HN 0.397 nan 8.310 nan 0.000 0.539 343 V N 1.831 121.691 119.914 -0.090 0.000 2.490 343 V HA -0.153 3.884 4.120 -0.138 0.000 0.250 343 V C 2.528 178.558 176.094 -0.107 0.000 1.061 343 V CA 1.804 64.016 62.300 -0.146 0.000 1.064 343 V CB -1.054 30.637 31.823 -0.221 0.000 0.670 343 V HN 0.885 nan 8.190 nan 0.000 0.461 344 V N -1.560 118.317 119.914 -0.061 0.000 2.453 344 V HA -0.145 3.892 4.120 -0.138 0.000 0.247 344 V C 2.316 178.330 176.094 -0.133 0.000 1.048 344 V CA 1.845 64.103 62.300 -0.071 0.000 1.049 344 V CB -0.749 31.042 31.823 -0.053 0.000 0.672 344 V HN 0.446 nan 8.190 nan 0.000 0.457 345 L N 0.149 121.272 121.223 -0.165 0.000 2.027 345 L HA 0.008 4.265 4.340 -0.138 0.000 0.206 345 L C 2.324 179.009 176.870 -0.309 0.000 1.074 345 L CA 1.904 56.592 54.840 -0.253 0.000 0.745 345 L CB -0.656 41.202 42.059 -0.333 0.000 0.898 345 L HN 0.275 nan 8.230 nan 0.000 0.433 346 L N -1.074 119.991 121.223 -0.263 0.000 2.131 346 L HA -0.224 4.034 4.340 -0.138 0.000 0.210 346 L C 2.409 179.092 176.870 -0.311 0.000 1.092 346 L CA 1.133 55.773 54.840 -0.334 0.000 0.759 346 L CB -0.434 41.472 42.059 -0.256 0.000 0.903 346 L HN 0.320 nan 8.230 nan 0.000 0.435 347 L N -1.199 119.899 121.223 -0.209 0.000 2.313 347 L HA -0.105 4.152 4.340 -0.138 0.000 0.214 347 L C 2.656 179.443 176.870 -0.138 0.000 1.119 347 L CA 0.671 55.426 54.840 -0.141 0.000 0.809 347 L CB -0.313 41.693 42.059 -0.089 0.000 0.933 347 L HN 0.181 nan 8.230 nan 0.000 0.449 348 R N -0.032 120.358 120.500 -0.183 0.000 2.073 348 R HA -0.042 4.215 4.340 -0.138 0.000 0.229 348 R C 2.266 178.445 176.300 -0.202 0.000 1.120 348 R CA 0.989 56.990 56.100 -0.165 0.000 0.967 348 R CB -0.105 30.088 30.300 -0.178 0.000 0.862 348 R HN 0.292 nan 8.270 nan 0.000 0.436 349 L N -0.178 120.818 121.223 -0.379 0.000 2.056 349 L HA -0.102 4.155 4.340 -0.138 0.000 0.207 349 L C 2.617 179.345 176.870 -0.237 0.000 1.078 349 L CA 1.188 55.658 54.840 -0.615 0.000 0.749 349 L CB -0.595 40.733 42.059 -1.219 0.000 0.901 349 L HN 0.233 nan 8.230 nan 0.000 0.433 350 A N 0.163 122.925 122.820 -0.096 0.000 1.933 350 A HA -0.233 4.004 4.320 -0.138 0.000 0.218 350 A C 2.313 179.971 177.584 0.123 0.000 1.175 350 A CA 1.857 53.998 52.037 0.174 0.000 0.628 350 A CB -0.341 18.727 19.000 0.114 0.000 0.814 350 A HN 0.196 nan 8.150 nan 0.000 0.444 351 K N -0.512 119.914 120.400 0.043 0.000 2.155 351 K HA -0.021 4.216 4.320 -0.138 0.000 0.203 351 K C 1.904 178.537 176.600 0.056 0.000 1.052 351 K CA 1.970 58.284 56.287 0.045 0.000 0.948 351 K CB -0.793 31.714 32.500 0.011 0.000 0.728 351 K HN 0.366 nan 8.250 nan 0.000 0.448 352 T N -0.129 114.472 114.554 0.078 0.000 2.821 352 T HA -0.109 4.158 4.350 -0.138 0.000 0.267 352 T C 1.272 176.072 174.700 0.167 0.000 1.046 352 T CA 1.246 63.426 62.100 0.132 0.000 1.139 352 T CB -0.430 68.569 68.868 0.217 0.000 0.871 352 T HN 0.282 nan 8.240 nan 0.000 0.454 353 Y N 2.081 122.411 120.300 0.050 0.000 2.163 353 Y HA -0.092 4.375 4.550 -0.139 0.000 0.288 353 Y C 2.497 178.281 175.900 -0.193 0.000 1.136 353 Y CA 1.802 59.837 58.100 -0.109 0.000 1.147 353 Y CB -0.321 37.871 38.460 -0.447 0.000 0.987 353 Y HN 0.318 nan 8.280 nan 0.000 0.509 354 E N -0.821 119.298 120.200 -0.135 0.000 2.051 354 E HA -0.207 4.060 4.350 -0.138 0.000 0.192 354 E C 1.909 178.407 176.600 -0.171 0.000 0.991 354 E CA 2.142 58.426 56.400 -0.194 0.000 0.799 354 E CB -0.395 29.325 29.700 0.033 0.000 0.748 354 E HN 0.436 nan 8.360 nan 0.000 0.449 355 T N 0.166 114.681 114.554 -0.066 0.000 2.759 355 T HA -0.148 4.119 4.350 -0.138 0.000 0.269 355 T C 1.837 176.491 174.700 -0.076 0.000 1.042 355 T CA 1.774 63.852 62.100 -0.036 0.000 1.140 355 T CB -0.450 68.418 68.868 -0.001 0.000 0.864 355 T HN 0.279 nan 8.240 nan 0.000 0.455 356 T N 2.134 116.609 114.554 -0.132 0.000 2.770 356 T HA 0.127 4.394 4.350 -0.138 0.000 0.263 356 T C 1.966 176.546 174.700 -0.201 0.000 1.039 356 T CA 0.652 62.669 62.100 -0.139 0.000 1.142 356 T CB -0.340 68.443 68.868 -0.142 0.000 0.868 356 T HN 0.252 nan 8.240 nan 0.000 0.435 357 L N 0.899 121.870 121.223 -0.419 0.000 2.131 357 L HA -0.093 4.164 4.340 -0.138 0.000 0.210 357 L C 2.844 179.582 176.870 -0.220 0.000 1.092 357 L CA 1.138 55.675 54.840 -0.504 0.000 0.759 357 L CB -0.517 40.873 42.059 -1.116 0.000 0.903 357 L HN 0.242 nan 8.230 nan 0.000 0.435 358 E N 0.757 120.890 120.200 -0.111 0.000 2.017 358 E HA -0.239 4.028 4.350 -0.138 0.000 0.193 358 E C 2.107 178.733 176.600 0.043 0.000 0.997 358 E CA 1.632 58.072 56.400 0.066 0.000 0.804 358 E CB -0.114 29.630 29.700 0.074 0.000 0.757 358 E HN 0.545 nan 8.360 nan 0.000 0.448 359 K N 0.166 120.571 120.400 0.008 0.000 2.103 359 K HA -0.027 4.211 4.320 -0.138 0.000 0.204 359 K C 2.377 178.987 176.600 0.016 0.000 1.052 359 K CA 1.412 57.706 56.287 0.012 0.000 0.945 359 K CB -0.435 32.066 32.500 0.002 0.000 0.722 359 K HN 0.008 nan 8.250 nan 0.000 0.443 360 c N 0.974 119.583 118.600 0.014 0.000 2.453 360 c HA -0.048 4.439 4.570 -0.138 0.000 0.277 360 c C 2.848 176.981 174.090 0.071 0.000 1.262 360 c CA 0.553 56.908 56.329 0.044 0.000 1.718 360 c CB -0.901 41.669 42.510 0.100 0.000 2.031 360 c HN 0.720 nan 8.230 nan 0.000 0.480 361 c N 0.720 119.372 118.600 0.086 0.000 2.419 361 c HA 0.001 4.488 4.570 -0.138 0.000 0.283 361 c C 2.404 176.538 174.090 0.074 0.000 1.373 361 c CA 1.089 57.482 56.329 0.107 0.000 1.781 361 c CB -1.595 40.996 42.510 0.135 0.000 1.886 361 c HN 0.699 nan 8.230 nan 0.000 0.520 362 A N -0.211 122.642 122.820 0.055 0.000 2.476 362 A HA 0.648 4.885 4.320 -0.138 0.000 0.263 362 A C 0.776 178.375 177.584 0.024 0.000 1.342 362 A CA 0.570 52.630 52.037 0.038 0.000 0.926 362 A CB -0.408 18.613 19.000 0.034 0.000 1.019 362 A HN 0.494 nan 8.150 nan 0.000 0.515 363 A N -1.279 121.554 122.820 0.023 0.000 2.261 363 A HA 0.731 4.969 4.320 -0.138 0.000 0.323 363 A C 1.336 178.922 177.584 0.003 0.000 1.107 363 A CA 0.087 52.128 52.037 0.007 0.000 0.883 363 A CB 0.371 19.369 19.000 -0.003 0.000 1.251 363 A HN 1.024 nan 8.150 nan 0.000 0.502 364 A N -1.065 121.752 122.820 -0.006 0.000 2.119 364 A HA 0.289 4.526 4.320 -0.138 0.000 0.217 364 A C 0.376 177.950 177.584 -0.015 0.000 1.153 364 A CA 1.879 53.911 52.037 -0.009 0.000 0.692 364 A CB -0.286 18.708 19.000 -0.010 0.000 0.799 364 A HN 0.773 nan 8.150 nan 0.000 0.458 365 D N -2.654 117.731 120.400 -0.026 0.000 2.491 365 D HA 0.277 4.834 4.640 -0.138 0.000 0.232 365 D C -2.370 173.880 176.300 -0.083 0.000 1.334 365 D CA -0.938 53.037 54.000 -0.041 0.000 0.909 365 D CB 0.913 41.687 40.800 -0.043 0.000 1.513 365 D HN -0.148 nan 8.370 nan 0.000 0.514 366 P HA -0.212 nan 4.420 nan 0.000 0.207 366 P C 1.075 178.028 177.300 -0.580 0.000 0.926 366 P CA 1.270 64.262 63.100 -0.180 0.000 0.982 366 P CB -0.062 31.651 31.700 0.023 0.000 0.686 367 H N -0.729 117.811 119.070 -0.883 0.000 2.506 367 H HA -0.290 4.183 4.556 -0.138 0.000 0.286 367 H C 1.792 176.747 175.328 -0.621 0.000 1.124 367 H CA 2.695 58.130 56.048 -1.022 0.000 1.120 367 H CB -0.339 29.210 29.762 -0.355 0.000 1.332 367 H HN 0.277 nan 8.280 nan 0.000 0.516 368 E N -0.665 119.352 120.200 -0.305 0.000 2.086 368 E HA -0.075 4.192 4.350 -0.138 0.000 0.190 368 E C 2.510 178.989 176.600 -0.202 0.000 0.975 368 E CA 0.720 57.016 56.400 -0.173 0.000 0.813 368 E CB -1.207 28.440 29.700 -0.090 0.000 0.768 368 E HN 0.633 nan 8.360 nan 0.000 0.457 369 c N 0.551 119.017 118.600 -0.224 0.000 2.489 369 c HA -0.028 4.459 4.570 -0.138 0.000 0.279 369 c C 2.573 176.611 174.090 -0.087 0.000 1.266 369 c CA 1.481 57.733 56.329 -0.128 0.000 1.707 369 c CB -1.140 41.322 42.510 -0.080 0.000 2.059 369 c HN 0.810 nan 8.230 nan 0.000 0.481 370 Y N 1.297 121.544 120.300 -0.088 0.000 2.490 370 Y HA 0.527 4.995 4.550 -0.137 0.000 0.281 370 Y C 1.849 177.676 175.900 -0.121 0.000 1.174 370 Y CA 0.023 58.059 58.100 -0.106 0.000 1.295 370 Y CB -1.535 36.854 38.460 -0.119 0.000 1.062 370 Y HN 0.233 nan 8.280 nan 0.000 0.522 371 A N 1.066 123.832 122.820 -0.089 0.000 2.121 371 A HA -0.029 4.208 4.320 -0.138 0.000 0.218 371 A C 1.865 179.430 177.584 -0.033 0.000 1.154 371 A CA 0.913 52.879 52.037 -0.117 0.000 0.679 371 A CB -0.335 18.492 19.000 -0.289 0.000 0.795 371 A HN 0.427 nan 8.150 nan 0.000 0.458 372 K N -0.594 119.802 120.400 -0.007 0.000 2.478 372 K HA 0.212 4.449 4.320 -0.138 0.000 0.205 372 K C 1.192 177.797 176.600 0.007 0.000 1.033 372 K CA 0.070 56.356 56.287 -0.001 0.000 1.091 372 K CB 0.553 33.047 32.500 -0.011 0.000 0.844 372 K HN 0.208 nan 8.250 nan 0.000 0.507 373 V N 0.754 120.681 119.914 0.022 0.000 2.277 373 V HA -0.307 3.730 4.120 -0.138 0.000 0.253 373 V C 1.564 177.456 176.094 -0.337 0.000 1.067 373 V CA 2.004 64.245 62.300 -0.098 0.000 1.047 373 V CB -0.397 31.424 31.823 -0.003 0.000 0.649 373 V HN 0.279 nan 8.190 nan 0.000 0.447 374 F N 0.618 120.295 119.950 -0.456 0.000 2.449 374 F HA -0.112 4.334 4.527 -0.136 0.000 0.299 374 F C 2.022 177.723 175.800 -0.165 0.000 1.092 374 F CA 1.734 59.498 58.000 -0.394 0.000 1.446 374 F CB -0.900 38.080 39.000 -0.035 0.000 1.084 374 F HN 0.336 nan 8.300 nan 0.000 0.567 375 D N -0.263 120.152 120.400 0.025 0.000 2.183 375 D HA -0.098 4.459 4.640 -0.138 0.000 0.203 375 D C 1.965 178.280 176.300 0.025 0.000 0.969 375 D CA 0.924 54.949 54.000 0.041 0.000 0.842 375 D CB -0.042 40.773 40.800 0.024 0.000 0.957 375 D HN 0.330 nan 8.370 nan 0.000 0.484 376 E N -0.783 119.395 120.200 -0.037 0.000 2.371 376 E HA -0.051 4.216 4.350 -0.138 0.000 0.194 376 E C 1.235 177.941 176.600 0.177 0.000 1.012 376 E CA 0.120 56.538 56.400 0.031 0.000 0.860 376 E CB 0.104 29.807 29.700 0.004 0.000 0.811 376 E HN 0.302 nan 8.360 nan 0.000 0.502 377 F N 1.891 121.834 119.950 -0.011 0.000 2.206 377 F HA -0.028 4.418 4.527 -0.135 0.000 0.298 377 F C 2.316 178.075 175.800 -0.069 0.000 1.090 377 F CA 0.556 58.508 58.000 -0.080 0.000 1.323 377 F CB -0.718 38.199 39.000 -0.139 0.000 1.028 377 F HN -0.070 nan 8.300 nan 0.000 0.492 378 K N 0.562 121.072 120.400 0.184 0.000 2.032 378 K HA -0.229 4.008 4.320 -0.138 0.000 0.218 378 K C -0.632 175.989 176.600 0.036 0.000 1.054 378 K CA 2.376 58.721 56.287 0.097 0.000 0.941 378 K CB -1.298 31.256 32.500 0.090 0.000 0.720 378 K HN 0.090 nan 8.250 nan 0.000 0.449 379 P HA -0.156 nan 4.420 nan 0.000 0.215 379 P C 1.309 178.592 177.300 -0.029 0.000 1.153 379 P CA 1.284 64.388 63.100 0.005 0.000 0.853 379 P CB -0.012 31.696 31.700 0.014 0.000 0.788 380 L N -1.284 119.919 121.223 -0.034 0.000 2.083 380 L HA -0.148 4.110 4.340 -0.138 0.000 0.209 380 L C 2.333 179.096 176.870 -0.178 0.000 1.083 380 L CA 1.348 56.129 54.840 -0.098 0.000 0.752 380 L CB -0.899 41.092 42.059 -0.113 0.000 0.899 380 L HN -0.115 nan 8.230 nan 0.000 0.433 381 V N -0.571 119.221 119.914 -0.203 0.000 2.488 381 V HA -0.197 3.840 4.120 -0.138 0.000 0.246 381 V C 2.229 178.199 176.094 -0.206 0.000 1.046 381 V CA 1.495 63.604 62.300 -0.318 0.000 1.053 381 V CB -0.350 31.273 31.823 -0.332 0.000 0.679 381 V HN 0.432 nan 8.190 nan 0.000 0.458 382 E N -0.338 119.797 120.200 -0.108 0.000 2.152 382 E HA -0.183 4.085 4.350 -0.138 0.000 0.192 382 E C 2.254 178.820 176.600 -0.058 0.000 0.983 382 E CA 0.638 57.000 56.400 -0.063 0.000 0.818 382 E CB -0.066 29.619 29.700 -0.025 0.000 0.758 382 E HN 0.528 nan 8.360 nan 0.000 0.467 383 E N 0.902 121.064 120.200 -0.064 0.000 2.049 383 E HA -0.171 4.096 4.350 -0.138 0.000 0.198 383 E C -0.712 175.859 176.600 -0.048 0.000 1.007 383 E CA 1.556 57.927 56.400 -0.048 0.000 0.809 383 E CB -0.756 28.914 29.700 -0.051 0.000 0.749 383 E HN 0.201 nan 8.360 nan 0.000 0.450 384 P HA -0.079 nan 4.420 nan 0.000 0.217 384 P C 1.324 178.596 177.300 -0.046 0.000 1.151 384 P CA 1.267 64.330 63.100 -0.061 0.000 0.828 384 P CB -0.144 31.497 31.700 -0.098 0.000 0.788 385 Q N -0.501 119.263 119.800 -0.059 0.000 2.061 385 Q HA -0.178 4.080 4.340 -0.138 0.000 0.204 385 Q C 1.890 177.882 176.000 -0.013 0.000 0.984 385 Q CA 1.376 57.158 55.803 -0.035 0.000 0.846 385 Q CB -0.616 28.101 28.738 -0.035 0.000 0.902 385 Q HN 0.309 nan 8.270 nan 0.000 0.421 386 N N 0.561 119.255 118.700 -0.011 0.000 2.188 386 N HA -0.120 4.537 4.740 -0.138 0.000 0.184 386 N C 1.730 177.248 175.510 0.013 0.000 1.018 386 N CA 0.697 53.748 53.050 0.003 0.000 0.858 386 N CB -0.245 38.243 38.487 0.002 0.000 0.989 386 N HN 0.120 nan 8.380 nan 0.000 0.426 387 L N 1.207 122.437 121.223 0.011 0.000 2.017 387 L HA -0.051 4.206 4.340 -0.138 0.000 0.208 387 L C 1.896 178.788 176.870 0.037 0.000 1.073 387 L CA 1.199 56.057 54.840 0.030 0.000 0.745 387 L CB -0.425 41.651 42.059 0.028 0.000 0.894 387 L HN 0.014 nan 8.230 nan 0.000 0.432 388 I N -0.425 120.156 120.570 0.019 0.000 2.142 388 I HA -0.314 3.773 4.170 -0.138 0.000 0.240 388 I C 2.733 178.857 176.117 0.012 0.000 1.078 388 I CA 1.508 62.815 61.300 0.013 0.000 1.343 388 I CB -1.577 36.422 38.000 -0.002 0.000 1.046 388 I HN 0.252 nan 8.210 nan 0.000 0.405 389 K N 0.814 121.221 120.400 0.012 0.000 2.063 389 K HA -0.243 3.994 4.320 -0.138 0.000 0.208 389 K C 2.411 179.025 176.600 0.023 0.000 1.048 389 K CA 1.983 58.279 56.287 0.014 0.000 0.928 389 K CB -0.841 31.668 32.500 0.014 0.000 0.713 389 K HN 0.674 nan 8.250 nan 0.000 0.442 390 Q N 0.365 120.186 119.800 0.035 0.000 2.137 390 Q HA 0.069 4.326 4.340 -0.138 0.000 0.198 390 Q C 2.024 178.068 176.000 0.075 0.000 0.960 390 Q CA 1.588 57.421 55.803 0.050 0.000 0.847 390 Q CB -0.755 28.016 28.738 0.054 0.000 0.915 390 Q HN 0.710 nan 8.270 nan 0.000 0.448 391 N N -0.556 118.198 118.700 0.091 0.000 2.457 391 N HA -0.055 4.602 4.740 -0.138 0.000 0.180 391 N C 1.731 177.243 175.510 0.004 0.000 1.050 391 N CA 1.026 54.166 53.050 0.150 0.000 0.906 391 N CB -0.076 38.551 38.487 0.232 0.000 0.968 391 N HN 0.578 nan 8.380 nan 0.000 0.445 392 c N 0.818 119.407 118.600 -0.019 0.000 2.475 392 c HA 0.060 4.547 4.570 -0.138 0.000 0.279 392 c C 2.570 176.666 174.090 0.009 0.000 1.322 392 c CA 0.150 56.447 56.329 -0.053 0.000 1.734 392 c CB -0.499 41.986 42.510 -0.041 0.000 2.005 392 c HN 0.467 nan 8.230 nan 0.000 0.495 393 E N 0.303 120.513 120.200 0.017 0.000 2.031 393 E HA -0.249 4.018 4.350 -0.138 0.000 0.193 393 E C 1.972 178.581 176.600 0.014 0.000 0.994 393 E CA 1.229 57.641 56.400 0.020 0.000 0.800 393 E CB -0.241 29.474 29.700 0.026 0.000 0.752 393 E HN 0.476 nan 8.360 nan 0.000 0.447 394 L N 0.524 121.769 121.223 0.036 0.000 2.017 394 L HA -0.173 4.084 4.340 -0.138 0.000 0.208 394 L C 2.156 179.011 176.870 -0.024 0.000 1.073 394 L CA 1.653 56.533 54.840 0.066 0.000 0.745 394 L CB -0.650 41.531 42.059 0.204 0.000 0.894 394 L HN 0.153 nan 8.230 nan 0.000 0.432 395 F N 0.478 120.170 119.950 -0.431 0.000 2.202 395 F HA -0.212 4.235 4.527 -0.134 0.000 0.301 395 F C 2.185 177.813 175.800 -0.287 0.000 1.082 395 F CA 1.897 59.473 58.000 -0.707 0.000 1.313 395 F CB -0.218 38.119 39.000 -1.105 0.000 1.024 395 F HN 0.277 nan 8.300 nan 0.000 0.495 396 E N -0.219 119.867 120.200 -0.189 0.000 2.107 396 E HA -0.230 4.037 4.350 -0.138 0.000 0.191 396 E C 2.484 178.964 176.600 -0.200 0.000 0.982 396 E CA 1.207 57.489 56.400 -0.197 0.000 0.809 396 E CB -0.366 29.311 29.700 -0.038 0.000 0.756 396 E HN 0.694 nan 8.360 nan 0.000 0.459 397 Q N 1.091 120.815 119.800 -0.128 0.000 2.020 397 Q HA -0.063 4.194 4.340 -0.138 0.000 0.198 397 Q C 2.150 178.093 176.000 -0.095 0.000 0.974 397 Q CA 1.463 57.217 55.803 -0.081 0.000 0.829 397 Q CB -0.925 27.796 28.738 -0.029 0.000 0.894 397 Q HN 0.323 nan 8.270 nan 0.000 0.433 398 L N -1.329 119.837 121.223 -0.095 0.000 2.418 398 L HA 0.486 4.743 4.340 -0.138 0.000 0.218 398 L C 1.460 178.256 176.870 -0.122 0.000 1.125 398 L CA 0.230 55.036 54.840 -0.057 0.000 0.835 398 L CB -0.757 41.328 42.059 0.042 0.000 0.953 398 L HN 0.669 nan 8.230 nan 0.000 0.454 399 G N 0.954 109.546 108.800 -0.347 0.000 2.829 399 G HA2 -0.288 3.589 3.960 -0.138 0.000 0.628 399 G HA3 -0.288 3.589 3.960 -0.138 0.000 0.628 399 G C 0.355 175.046 174.900 -0.347 0.000 1.412 399 G CA 0.205 45.043 45.100 -0.437 0.000 0.864 399 G HN 0.293 nan 8.290 nan 0.000 0.544 400 E N -0.933 119.164 120.200 -0.172 0.000 2.077 400 E HA -0.184 4.083 4.350 -0.138 0.000 0.193 400 E C 2.043 178.812 176.600 0.282 0.000 0.989 400 E CA 1.850 58.391 56.400 0.236 0.000 0.800 400 E CB -0.151 29.744 29.700 0.325 0.000 0.746 400 E HN 0.638 nan 8.360 nan 0.000 0.452 401 Y N 1.075 121.434 120.300 0.099 0.000 2.114 401 Y HA -0.239 4.227 4.550 -0.140 0.000 0.284 401 Y C 2.444 178.401 175.900 0.095 0.000 1.143 401 Y CA 3.072 61.227 58.100 0.092 0.000 1.135 401 Y CB -0.736 37.760 38.460 0.059 0.000 0.980 401 Y HN 0.034 nan 8.280 nan 0.000 0.499 402 K N -0.168 120.230 120.400 -0.004 0.000 2.148 402 K HA -0.163 4.074 4.320 -0.138 0.000 0.204 402 K C 2.035 178.637 176.600 0.003 0.000 1.050 402 K CA 1.487 57.724 56.287 -0.082 0.000 0.942 402 K CB -1.744 30.774 32.500 0.030 0.000 0.724 402 K HN 0.523 nan 8.250 nan 0.000 0.446 403 F N 1.828 121.751 119.950 -0.045 0.000 2.113 403 F HA -0.115 4.326 4.527 -0.142 0.000 0.297 403 F C 2.539 178.347 175.800 0.013 0.000 1.103 403 F CA 1.844 59.863 58.000 0.033 0.000 1.248 403 F CB -0.243 38.866 39.000 0.182 0.000 0.999 403 F HN 0.354 nan 8.300 nan 0.000 0.475 404 Q N -0.066 119.736 119.800 0.002 0.000 2.096 404 Q HA -0.244 4.013 4.340 -0.138 0.000 0.204 404 Q C 1.889 177.769 176.000 -0.200 0.000 0.982 404 Q CA 1.735 57.469 55.803 -0.115 0.000 0.850 404 Q CB -0.349 28.382 28.738 -0.011 0.000 0.901 404 Q HN 0.386 nan 8.270 nan 0.000 0.422 405 N N 0.167 118.722 118.700 -0.242 0.000 2.223 405 N HA -0.120 4.537 4.740 -0.138 0.000 0.185 405 N C 1.429 176.839 175.510 -0.167 0.000 1.016 405 N CA 1.226 54.138 53.050 -0.231 0.000 0.863 405 N CB -0.273 38.027 38.487 -0.312 0.000 0.983 405 N HN 0.262 nan 8.380 nan 0.000 0.429 406 A N 0.999 123.708 122.820 -0.184 0.000 1.872 406 A HA 0.000 4.237 4.320 -0.138 0.000 0.214 406 A C 2.301 179.786 177.584 -0.165 0.000 1.187 406 A CA 0.777 52.719 52.037 -0.157 0.000 0.614 406 A CB -0.722 18.183 19.000 -0.158 0.000 0.826 406 A HN 0.197 nan 8.150 nan 0.000 0.442 407 L N -0.514 120.543 121.223 -0.276 0.000 2.083 407 L HA -0.183 4.074 4.340 -0.138 0.000 0.209 407 L C 2.592 179.442 176.870 -0.035 0.000 1.083 407 L CA 0.851 55.589 54.840 -0.170 0.000 0.752 407 L CB -0.580 41.271 42.059 -0.347 0.000 0.899 407 L HN 0.382 nan 8.230 nan 0.000 0.433 408 L N -0.666 120.501 121.223 -0.093 0.000 1.989 408 L HA -0.238 4.019 4.340 -0.138 0.000 0.211 408 L C 2.571 179.435 176.870 -0.011 0.000 1.071 408 L CA 1.377 56.188 54.840 -0.048 0.000 0.749 408 L CB -0.356 41.660 42.059 -0.072 0.000 0.890 408 L HN 0.080 nan 8.230 nan 0.000 0.431 409 V N -0.458 119.435 119.914 -0.035 0.000 2.261 409 V HA -0.329 3.708 4.120 -0.138 0.000 0.246 409 V C 2.573 178.657 176.094 -0.017 0.000 1.047 409 V CA 2.034 64.316 62.300 -0.030 0.000 1.015 409 V CB -0.715 31.084 31.823 -0.041 0.000 0.642 409 V HN 0.438 nan 8.190 nan 0.000 0.446 410 R N -0.913 119.585 120.500 -0.004 0.000 2.103 410 R HA -0.232 4.025 4.340 -0.138 0.000 0.234 410 R C 2.357 178.628 176.300 -0.049 0.000 1.132 410 R CA 2.396 58.486 56.100 -0.016 0.000 0.925 410 R CB -0.558 29.757 30.300 0.024 0.000 0.842 410 R HN 0.513 nan 8.270 nan 0.000 0.430 411 Y N 0.148 120.396 120.300 -0.086 0.000 2.333 411 Y HA -0.165 4.306 4.550 -0.132 0.000 0.290 411 Y C 2.492 178.342 175.900 -0.083 0.000 1.144 411 Y CA 1.809 59.861 58.100 -0.080 0.000 1.228 411 Y CB -0.260 38.139 38.460 -0.102 0.000 0.985 411 Y HN 0.196 nan 8.280 nan 0.000 0.542 412 T N -0.713 113.858 114.554 0.029 0.000 2.951 412 T HA -0.127 4.141 4.350 -0.138 0.000 0.268 412 T C 1.797 176.427 174.700 -0.118 0.000 1.073 412 T CA 1.164 63.238 62.100 -0.043 0.000 1.134 412 T CB -0.067 68.775 68.868 -0.043 0.000 0.884 412 T HN 0.272 nan 8.240 nan 0.000 0.479 413 K N 0.747 121.085 120.400 -0.102 0.000 2.116 413 K HA 0.049 4.287 4.320 -0.138 0.000 0.203 413 K C 2.359 178.880 176.600 -0.132 0.000 1.052 413 K CA 0.850 57.066 56.287 -0.117 0.000 0.952 413 K CB 0.041 32.492 32.500 -0.082 0.000 0.729 413 K HN 0.147 nan 8.250 nan 0.000 0.446 414 K N 0.297 120.604 120.400 -0.154 0.000 1.985 414 K HA -0.088 4.149 4.320 -0.138 0.000 0.210 414 K C 0.609 177.143 176.600 -0.110 0.000 1.047 414 K CA 1.322 57.513 56.287 -0.160 0.000 0.932 414 K CB 0.292 32.626 32.500 -0.276 0.000 0.716 414 K HN 0.043 nan 8.250 nan 0.000 0.439 415 V N -1.721 118.136 119.914 -0.095 0.000 2.383 415 V HA 0.295 4.332 4.120 -0.138 0.000 0.261 415 V C -2.621 173.402 176.094 -0.119 0.000 0.987 415 V CA -1.603 60.653 62.300 -0.072 0.000 0.853 415 V CB 1.172 32.989 31.823 -0.010 0.000 1.095 415 V HN -0.011 nan 8.190 nan 0.000 0.461 416 P HA -0.038 nan 4.420 nan 0.000 0.225 416 P C 1.286 178.423 177.300 -0.270 0.000 1.148 416 P CA 1.069 63.892 63.100 -0.463 0.000 0.779 416 P CB 0.317 31.274 31.700 -1.237 0.000 0.780 417 Q N -0.774 118.975 119.800 -0.085 0.000 2.172 417 Q HA -0.000 4.257 4.340 -0.138 0.000 0.200 417 Q C 0.716 176.758 176.000 0.069 0.000 0.964 417 Q CA 0.429 56.269 55.803 0.061 0.000 0.855 417 Q CB -0.999 27.806 28.738 0.111 0.000 0.918 417 Q HN 0.084 nan 8.270 nan 0.000 0.444 418 V N 2.326 122.272 119.914 0.055 0.000 2.788 418 V HA -0.060 3.977 4.120 -0.138 0.000 0.307 418 V C 0.449 176.579 176.094 0.061 0.000 1.069 418 V CA -0.012 62.340 62.300 0.085 0.000 1.173 418 V CB 0.612 32.473 31.823 0.063 0.000 0.925 418 V HN 0.369 nan 8.190 nan 0.000 0.492 419 S N 2.988 118.729 115.700 0.068 0.000 2.549 419 S HA 0.022 4.410 4.470 -0.138 0.000 0.286 419 S C 1.290 175.916 174.600 0.044 0.000 1.314 419 S CA -0.029 58.202 58.200 0.052 0.000 1.062 419 S CB 0.778 64.003 63.200 0.042 0.000 0.865 419 S HN 0.805 nan 8.310 nan 0.000 0.498 420 T N 4.082 118.666 114.554 0.051 0.000 2.653 420 T HA -0.090 4.177 4.350 -0.138 0.000 0.268 420 T C -0.842 173.885 174.700 0.044 0.000 1.035 420 T CA 1.909 64.042 62.100 0.054 0.000 1.154 420 T CB -1.694 67.223 68.868 0.081 0.000 0.862 420 T HN 0.578 nan 8.240 nan 0.000 0.441 421 P HA -0.076 nan 4.420 nan 0.000 0.216 421 P C 1.613 178.924 177.300 0.019 0.000 1.153 421 P CA 1.325 64.444 63.100 0.031 0.000 0.858 421 P CB -0.329 31.384 31.700 0.022 0.000 0.789 422 T N -0.464 114.100 114.554 0.016 0.000 2.777 422 T HA -0.059 4.208 4.350 -0.138 0.000 0.266 422 T C 1.809 176.501 174.700 -0.013 0.000 1.040 422 T CA 0.959 63.060 62.100 0.003 0.000 1.141 422 T CB -0.919 67.959 68.868 0.017 0.000 0.868 422 T HN 0.047 nan 8.240 nan 0.000 0.444 423 L N 0.765 121.987 121.223 -0.002 0.000 2.017 423 L HA -0.110 4.147 4.340 -0.138 0.000 0.208 423 L C 2.703 179.556 176.870 -0.028 0.000 1.073 423 L CA 1.009 55.841 54.840 -0.014 0.000 0.745 423 L CB -0.745 41.318 42.059 0.007 0.000 0.894 423 L HN 0.144 nan 8.230 nan 0.000 0.432 424 V N -0.145 119.768 119.914 -0.001 0.000 2.261 424 V HA -0.299 3.738 4.120 -0.138 0.000 0.246 424 V C 2.513 178.604 176.094 -0.004 0.000 1.047 424 V CA 2.116 64.421 62.300 0.008 0.000 1.015 424 V CB -0.486 31.362 31.823 0.042 0.000 0.642 424 V HN 0.454 nan 8.190 nan 0.000 0.446 425 E N 0.337 120.534 120.200 -0.004 0.000 2.051 425 E HA -0.178 4.089 4.350 -0.138 0.000 0.192 425 E C 2.009 178.582 176.600 -0.044 0.000 0.991 425 E CA 1.789 58.184 56.400 -0.009 0.000 0.799 425 E CB -0.397 29.299 29.700 -0.006 0.000 0.748 425 E HN 0.339 nan 8.360 nan 0.000 0.449 426 V N 0.179 120.044 119.914 -0.083 0.000 2.307 426 V HA -0.232 3.805 4.120 -0.138 0.000 0.245 426 V C 2.387 178.362 176.094 -0.198 0.000 1.045 426 V CA 1.930 64.139 62.300 -0.152 0.000 1.024 426 V CB -0.660 31.047 31.823 -0.193 0.000 0.651 426 V HN 0.254 nan 8.190 nan 0.000 0.449 427 S N -0.514 115.070 115.700 -0.194 0.000 2.382 427 S HA -0.186 4.201 4.470 -0.138 0.000 0.228 427 S C 2.084 176.608 174.600 -0.127 0.000 1.027 427 S CA 1.410 59.474 58.200 -0.227 0.000 0.991 427 S CB -0.302 62.797 63.200 -0.168 0.000 0.823 427 S HN 0.524 nan 8.310 nan 0.000 0.469 428 R N 1.456 121.925 120.500 -0.052 0.000 2.073 428 R HA -0.025 4.232 4.340 -0.138 0.000 0.234 428 R C 1.905 178.233 176.300 0.047 0.000 1.134 428 R CA 1.489 57.601 56.100 0.020 0.000 0.952 428 R CB -0.511 29.817 30.300 0.048 0.000 0.850 428 R HN 0.368 nan 8.270 nan 0.000 0.433 429 N N 0.932 119.648 118.700 0.027 0.000 2.223 429 N HA -0.118 4.539 4.740 -0.138 0.000 0.185 429 N C 1.902 177.493 175.510 0.135 0.000 1.016 429 N CA 1.001 54.104 53.050 0.088 0.000 0.863 429 N CB -0.225 38.274 38.487 0.019 0.000 0.983 429 N HN 0.214 nan 8.380 nan 0.000 0.429 430 L N 0.117 121.343 121.223 0.004 0.000 2.093 430 L HA -0.030 4.227 4.340 -0.138 0.000 0.208 430 L C 2.366 179.303 176.870 0.111 0.000 1.085 430 L CA 1.221 56.064 54.840 0.006 0.000 0.755 430 L CB -0.725 41.207 42.059 -0.213 0.000 0.904 430 L HN 0.209 nan 8.230 nan 0.000 0.435 431 G N -0.301 108.564 108.800 0.108 0.000 2.443 431 G HA2 -0.194 3.684 3.960 -0.138 0.000 0.219 431 G HA3 -0.194 3.684 3.960 -0.138 0.000 0.219 431 G C 1.575 176.626 174.900 0.252 0.000 1.131 431 G CA 0.172 45.458 45.100 0.310 0.000 0.775 431 G HN 0.288 nan 8.290 nan 0.000 0.547 432 K N 0.333 120.823 120.400 0.151 0.000 2.515 432 K HA 0.026 4.263 4.320 -0.138 0.000 0.196 432 K C 2.271 178.785 176.600 -0.145 0.000 1.038 432 K CA 0.409 56.730 56.287 0.057 0.000 0.967 432 K CB 0.079 32.631 32.500 0.087 0.000 0.780 432 K HN 0.296 nan 8.250 nan 0.000 0.483 433 V N 0.285 120.114 119.914 -0.142 0.000 2.453 433 V HA -0.131 3.906 4.120 -0.138 0.000 0.247 433 V C 2.392 178.222 176.094 -0.440 0.000 1.048 433 V CA 1.931 64.039 62.300 -0.320 0.000 1.049 433 V CB -0.987 30.790 31.823 -0.077 0.000 0.672 433 V HN 0.403 nan 8.190 nan 0.000 0.457 434 G N 1.171 109.570 108.800 -0.669 0.000 2.514 434 G HA2 -0.297 3.580 3.960 -0.138 0.000 0.217 434 G HA3 -0.297 3.580 3.960 -0.138 0.000 0.217 434 G C 1.784 175.912 174.900 -1.286 0.000 1.198 434 G CA 1.544 45.671 45.100 -1.621 0.000 0.780 434 G HN 0.599 nan 8.290 nan 0.000 0.565 435 S N 0.163 115.428 115.700 -0.724 0.000 2.399 435 S HA -0.100 4.288 4.470 -0.138 0.000 0.231 435 S C 2.091 176.582 174.600 -0.183 0.000 1.022 435 S CA 1.602 59.727 58.200 -0.124 0.000 0.983 435 S CB -0.177 63.088 63.200 0.107 0.000 0.803 435 S HN 0.388 nan 8.310 nan 0.000 0.480 436 K N 0.523 120.769 120.400 -0.257 0.000 2.116 436 K HA 0.069 4.306 4.320 -0.138 0.000 0.203 436 K C 1.908 178.409 176.600 -0.165 0.000 1.052 436 K CA 1.274 57.427 56.287 -0.223 0.000 0.952 436 K CB -0.839 31.451 32.500 -0.350 0.000 0.729 436 K HN 0.712 nan 8.250 nan 0.000 0.446 437 c N -1.709 116.774 118.600 -0.194 0.000 2.735 437 c HA 0.326 4.814 4.570 -0.138 0.000 0.444 437 c C 2.656 176.705 174.090 -0.068 0.000 1.331 437 c CA -0.205 56.103 56.329 -0.035 0.000 2.225 437 c CB -0.726 41.752 42.510 -0.053 0.000 2.917 437 c HN 0.700 nan 8.230 nan 0.000 0.567 438 c N 1.996 120.476 118.600 -0.200 0.000 2.398 438 c HA -0.135 4.352 4.570 -0.138 0.000 0.279 438 c C 2.847 176.889 174.090 -0.079 0.000 1.250 438 c CA 2.184 58.426 56.329 -0.145 0.000 1.786 438 c CB -1.403 40.977 42.510 -0.217 0.000 2.018 438 c HN 0.734 nan 8.230 nan 0.000 0.494 439 K N -0.258 120.060 120.400 -0.137 0.000 2.591 439 K HA 0.034 4.271 4.320 -0.138 0.000 0.197 439 K C 0.353 176.824 176.600 -0.216 0.000 1.026 439 K CA 0.698 56.892 56.287 -0.155 0.000 1.127 439 K CB -0.681 31.706 32.500 -0.187 0.000 0.871 439 K HN 0.713 nan 8.250 nan 0.000 0.507 440 H N -0.231 118.816 119.070 -0.038 0.000 2.573 440 H HA 0.383 4.855 4.556 -0.140 0.000 0.351 440 H C -2.571 172.743 175.328 -0.023 0.000 1.163 440 H CA -2.606 53.423 56.048 -0.032 0.000 1.205 440 H CB 1.780 31.518 29.762 -0.041 0.000 1.605 440 H HN -0.042 nan 8.280 nan 0.000 0.525 441 P HA -0.026 nan 4.420 nan 0.000 0.265 441 P C 0.502 177.833 177.300 0.051 0.000 1.187 441 P CA 0.358 63.501 63.100 0.072 0.000 0.766 441 P CB 0.843 32.576 31.700 0.055 0.000 0.820 442 E N 2.204 122.425 120.200 0.035 0.000 2.267 442 E HA -0.220 4.047 4.350 -0.138 0.000 0.197 442 E C 1.897 178.511 176.600 0.023 0.000 0.998 442 E CA 1.600 58.017 56.400 0.028 0.000 0.830 442 E CB -0.350 29.366 29.700 0.027 0.000 0.751 442 E HN 0.490 nan 8.360 nan 0.000 0.491 443 A N 1.133 123.962 122.820 0.015 0.000 1.972 443 A HA -0.207 4.030 4.320 -0.138 0.000 0.219 443 A C 1.627 179.196 177.584 -0.024 0.000 1.169 443 A CA 1.415 53.454 52.037 0.003 0.000 0.635 443 A CB -0.079 18.915 19.000 -0.011 0.000 0.810 443 A HN 0.120 nan 8.150 nan 0.000 0.446 444 K N -1.555 118.812 120.400 -0.054 0.000 2.374 444 K HA 0.223 4.460 4.320 -0.138 0.000 0.202 444 K C 1.707 178.230 176.600 -0.129 0.000 1.040 444 K CA -0.167 56.036 56.287 -0.139 0.000 1.085 444 K CB 0.423 32.751 32.500 -0.287 0.000 0.873 444 K HN 0.266 nan 8.250 nan 0.000 0.539 445 R N 1.303 121.782 120.500 -0.035 0.000 2.070 445 R HA 0.059 4.316 4.340 -0.138 0.000 0.233 445 R C 2.339 178.628 176.300 -0.018 0.000 1.137 445 R CA 1.542 57.640 56.100 -0.003 0.000 0.945 445 R CB -0.081 30.230 30.300 0.019 0.000 0.845 445 R HN 0.129 nan 8.270 nan 0.000 0.430 446 M N 0.582 120.175 119.600 -0.013 0.000 2.067 446 M HA -0.098 4.299 4.480 -0.138 0.000 0.260 446 M C -0.934 175.354 176.300 -0.020 0.000 1.069 446 M CA 1.783 57.072 55.300 -0.017 0.000 1.117 446 M CB -0.865 31.723 32.600 -0.020 0.000 1.334 446 M HN -0.000 nan 8.290 nan 0.000 0.407 447 P HA -0.153 nan 4.420 nan 0.000 0.216 447 P C 1.765 179.049 177.300 -0.025 0.000 1.150 447 P CA 1.418 64.498 63.100 -0.033 0.000 0.837 447 P CB -0.540 31.127 31.700 -0.054 0.000 0.786 448 c N -0.072 118.501 118.600 -0.046 0.000 2.442 448 c HA 0.007 4.494 4.570 -0.138 0.000 0.279 448 c C 3.003 177.104 174.090 0.020 0.000 1.237 448 c CA 1.806 58.117 56.329 -0.030 0.000 1.722 448 c CB -1.561 40.916 42.510 -0.056 0.000 2.056 448 c HN 0.247 nan 8.230 nan 0.000 0.469 449 A N -0.246 122.580 122.820 0.010 0.000 1.841 449 A HA -0.184 4.053 4.320 -0.138 0.000 0.214 449 A C 2.117 179.747 177.584 0.077 0.000 1.195 449 A CA 1.927 53.985 52.037 0.035 0.000 0.611 449 A CB -1.128 17.875 19.000 0.004 0.000 0.835 449 A HN 0.773 nan 8.150 nan 0.000 0.443 450 E N -0.393 119.828 120.200 0.036 0.000 2.085 450 E HA -0.228 4.040 4.350 -0.138 0.000 0.194 450 E C 1.271 177.892 176.600 0.035 0.000 0.994 450 E CA 1.477 57.892 56.400 0.026 0.000 0.801 450 E CB -0.089 29.604 29.700 -0.012 0.000 0.743 450 E HN 0.526 nan 8.360 nan 0.000 0.453 451 D N -0.745 119.684 120.400 0.048 0.000 2.224 451 D HA -0.144 4.414 4.640 -0.138 0.000 0.205 451 D C 1.519 177.859 176.300 0.067 0.000 0.965 451 D CA 0.644 54.678 54.000 0.057 0.000 0.852 451 D CB -0.172 40.672 40.800 0.074 0.000 0.947 451 D HN 0.321 nan 8.370 nan 0.000 0.494 452 Y N 1.374 121.663 120.300 -0.019 0.000 2.314 452 Y HA -0.060 4.428 4.550 -0.104 0.000 0.293 452 Y C 2.039 177.915 175.900 -0.041 0.000 1.129 452 Y CA 1.018 59.102 58.100 -0.026 0.000 1.201 452 Y CB -0.232 38.214 38.460 -0.023 0.000 0.999 452 Y HN -0.125 nan 8.280 nan 0.000 0.541 453 L N -0.782 120.440 121.223 -0.002 0.000 2.275 453 L HA -0.165 4.093 4.340 -0.138 0.000 0.215 453 L C 2.282 179.066 176.870 -0.144 0.000 1.119 453 L CA 1.134 55.920 54.840 -0.091 0.000 0.790 453 L CB -0.510 41.555 42.059 0.010 0.000 0.919 453 L HN 0.117 nan 8.230 nan 0.000 0.443 454 S N -0.805 114.827 115.700 -0.113 0.000 2.453 454 S HA -0.062 4.325 4.470 -0.138 0.000 0.231 454 S C 1.952 176.451 174.600 -0.168 0.000 1.005 454 S CA 0.641 58.776 58.200 -0.109 0.000 0.949 454 S CB 0.138 63.294 63.200 -0.073 0.000 0.774 454 S HN 0.176 nan 8.310 nan 0.000 0.510 455 V N 0.963 120.733 119.914 -0.238 0.000 2.379 455 V HA -0.033 4.005 4.120 -0.138 0.000 0.243 455 V C 2.262 178.170 176.094 -0.312 0.000 1.035 455 V CA 1.002 63.135 62.300 -0.279 0.000 1.035 455 V CB -0.609 31.020 31.823 -0.323 0.000 0.673 455 V HN 0.312 nan 8.190 nan 0.000 0.457 456 V N 0.157 119.814 119.914 -0.428 0.000 2.343 456 V HA -0.250 3.787 4.120 -0.138 0.000 0.247 456 V C 2.337 178.267 176.094 -0.272 0.000 1.051 456 V CA 1.919 63.999 62.300 -0.368 0.000 1.036 456 V CB -0.611 30.966 31.823 -0.410 0.000 0.654 456 V HN 0.424 nan 8.190 nan 0.000 0.451 457 L N 0.336 121.406 121.223 -0.254 0.000 2.141 457 L HA -0.156 4.101 4.340 -0.138 0.000 0.209 457 L C 2.463 179.237 176.870 -0.159 0.000 1.094 457 L CA 1.756 56.445 54.840 -0.252 0.000 0.763 457 L CB -0.691 41.248 42.059 -0.199 0.000 0.908 457 L HN 0.442 nan 8.230 nan 0.000 0.437 458 N N 0.208 118.830 118.700 -0.131 0.000 2.120 458 N HA -0.274 4.384 4.740 -0.138 0.000 0.188 458 N C 1.892 177.344 175.510 -0.096 0.000 1.024 458 N CA 1.452 54.448 53.050 -0.089 0.000 0.852 458 N CB -0.075 38.342 38.487 -0.118 0.000 1.003 458 N HN 0.296 nan 8.380 nan 0.000 0.424 459 Q N -0.371 119.351 119.800 -0.130 0.000 2.096 459 Q HA -0.178 4.080 4.340 -0.138 0.000 0.204 459 Q C 2.026 177.976 176.000 -0.083 0.000 0.982 459 Q CA 1.513 57.249 55.803 -0.111 0.000 0.850 459 Q CB -0.238 28.427 28.738 -0.123 0.000 0.901 459 Q HN 0.487 nan 8.270 nan 0.000 0.422 460 L N 0.327 121.485 121.223 -0.107 0.000 2.083 460 L HA -0.149 4.108 4.340 -0.138 0.000 0.209 460 L C 2.188 179.061 176.870 0.004 0.000 1.083 460 L CA 1.770 56.561 54.840 -0.082 0.000 0.752 460 L CB -0.903 41.045 42.059 -0.185 0.000 0.899 460 L HN 0.340 nan 8.230 nan 0.000 0.433 461 c N -0.988 117.619 118.600 0.012 0.000 2.453 461 c HA -0.110 4.378 4.570 -0.138 0.000 0.277 461 c C 2.885 177.020 174.090 0.075 0.000 1.262 461 c CA 1.020 57.403 56.329 0.090 0.000 1.718 461 c CB -0.993 41.578 42.510 0.102 0.000 2.031 461 c HN 0.649 nan 8.230 nan 0.000 0.480 462 V N -0.488 119.430 119.914 0.006 0.000 2.453 462 V HA -0.100 3.937 4.120 -0.138 0.000 0.247 462 V C 2.035 178.124 176.094 -0.008 0.000 1.048 462 V CA 1.835 64.119 62.300 -0.026 0.000 1.049 462 V CB -0.939 30.828 31.823 -0.093 0.000 0.672 462 V HN 0.579 nan 8.190 nan 0.000 0.457 463 L N -0.068 121.158 121.223 0.006 0.000 2.156 463 L HA -0.070 4.187 4.340 -0.138 0.000 0.208 463 L C 2.731 179.625 176.870 0.042 0.000 1.095 463 L CA 2.048 56.895 54.840 0.012 0.000 0.770 463 L CB -0.711 41.352 42.059 0.006 0.000 0.914 463 L HN 0.497 nan 8.230 nan 0.000 0.439 464 H N 0.047 119.112 119.070 -0.008 0.000 2.372 464 H HA -0.169 4.302 4.556 -0.142 0.000 0.301 464 H C 2.161 177.491 175.328 0.004 0.000 1.065 464 H CA 1.562 57.615 56.048 0.008 0.000 1.364 464 H CB 0.224 30.005 29.762 0.032 0.000 1.406 464 H HN 0.243 nan 8.280 nan 0.000 0.521 465 E N 0.406 120.603 120.200 -0.006 0.000 2.273 465 E HA -0.271 3.996 4.350 -0.138 0.000 0.198 465 E C 2.029 178.561 176.600 -0.114 0.000 1.002 465 E CA 1.170 57.533 56.400 -0.062 0.000 0.828 465 E CB -0.010 29.684 29.700 -0.010 0.000 0.747 465 E HN 0.471 nan 8.360 nan 0.000 0.491 466 K N -0.034 120.306 120.400 -0.100 0.000 1.985 466 K HA -0.091 4.146 4.320 -0.138 0.000 0.210 466 K C 0.280 176.812 176.600 -0.114 0.000 1.047 466 K CA 1.787 58.024 56.287 -0.083 0.000 0.932 466 K CB 0.111 32.579 32.500 -0.053 0.000 0.716 466 K HN 0.085 nan 8.250 nan 0.000 0.439 467 T N 1.355 115.810 114.554 -0.166 0.000 3.226 467 T HA 0.329 4.596 4.350 -0.138 0.000 0.378 467 T C -2.787 171.723 174.700 -0.316 0.000 1.380 467 T CA -1.874 60.126 62.100 -0.167 0.000 1.396 467 T CB 1.259 70.070 68.868 -0.095 0.000 1.044 467 T HN 0.058 nan 8.240 nan 0.000 0.586 468 P HA 0.121 nan 4.420 nan 0.000 0.262 468 P C 0.959 178.159 177.300 -0.167 0.000 1.199 468 P CA -0.192 62.588 63.100 -0.533 0.000 0.763 468 P CB 1.102 32.677 31.700 -0.208 0.000 0.790 469 V N 0.622 120.562 119.914 0.042 0.000 3.539 469 V HA 0.231 4.268 4.120 -0.138 0.000 0.262 469 V C 0.750 176.971 176.094 0.212 0.000 1.381 469 V CA 0.378 62.765 62.300 0.144 0.000 1.060 469 V CB 0.206 32.107 31.823 0.130 0.000 0.842 469 V HN 0.531 nan 8.190 nan 0.000 0.445 470 S N 1.357 117.272 115.700 0.358 0.000 2.596 470 S HA 0.389 4.776 4.470 -0.138 0.000 0.318 470 S C 0.236 174.901 174.600 0.108 0.000 1.097 470 S CA -0.248 58.039 58.200 0.147 0.000 1.080 470 S CB 1.369 64.591 63.200 0.036 0.000 0.991 470 S HN 0.419 nan 8.310 nan 0.000 0.471 471 D N 4.114 124.557 120.400 0.073 0.000 2.310 471 D HA -0.029 4.528 4.640 -0.138 0.000 0.212 471 D C 1.720 178.013 176.300 -0.012 0.000 0.965 471 D CA 0.782 54.809 54.000 0.045 0.000 0.879 471 D CB 0.010 40.826 40.800 0.027 0.000 0.921 471 D HN 0.557 nan 8.370 nan 0.000 0.510 472 R N 0.372 120.849 120.500 -0.038 0.000 2.115 472 R HA 0.016 4.273 4.340 -0.138 0.000 0.226 472 R C 2.055 178.267 176.300 -0.146 0.000 1.100 472 R CA 0.521 56.567 56.100 -0.089 0.000 0.980 472 R CB -0.244 30.010 30.300 -0.076 0.000 0.875 472 R HN 0.131 nan 8.270 nan 0.000 0.445 473 V N 0.489 120.322 119.914 -0.135 0.000 2.323 473 V HA -0.198 3.839 4.120 -0.138 0.000 0.244 473 V C 2.104 178.136 176.094 -0.104 0.000 1.041 473 V CA 2.062 64.274 62.300 -0.148 0.000 1.025 473 V CB -0.473 31.044 31.823 -0.510 0.000 0.656 473 V HN 0.355 nan 8.190 nan 0.000 0.451 474 T N -0.130 114.398 114.554 -0.043 0.000 2.684 474 T HA -0.288 3.979 4.350 -0.138 0.000 0.267 474 T C 1.935 176.635 174.700 -0.001 0.000 1.036 474 T CA 2.095 64.232 62.100 0.062 0.000 1.148 474 T CB -0.232 68.699 68.868 0.105 0.000 0.863 474 T HN 0.454 nan 8.240 nan 0.000 0.436 475 K N 0.196 120.566 120.400 -0.049 0.000 1.991 475 K HA -0.140 4.097 4.320 -0.138 0.000 0.212 475 K C 2.516 179.045 176.600 -0.118 0.000 1.049 475 K CA 1.739 57.982 56.287 -0.073 0.000 0.932 475 K CB -0.530 31.915 32.500 -0.091 0.000 0.717 475 K HN 0.315 nan 8.250 nan 0.000 0.441 476 c N 0.451 118.897 118.600 -0.257 0.000 2.422 476 c HA -0.113 4.374 4.570 -0.138 0.000 0.279 476 c C 2.915 176.903 174.090 -0.170 0.000 1.305 476 c CA 0.527 56.612 56.329 -0.406 0.000 1.757 476 c CB -0.964 40.863 42.510 -1.138 0.000 1.962 476 c HN 0.676 nan 8.230 nan 0.000 0.499 477 c N 0.502 119.087 118.600 -0.026 0.000 2.466 477 c HA -0.057 4.430 4.570 -0.138 0.000 0.278 477 c C 2.948 177.141 174.090 0.172 0.000 1.288 477 c CA 1.840 58.254 56.329 0.140 0.000 1.722 477 c CB -1.469 41.143 42.510 0.170 0.000 2.017 477 c HN 0.826 nan 8.230 nan 0.000 0.488 478 T N -1.246 113.367 114.554 0.099 0.000 2.894 478 T HA -0.051 4.216 4.350 -0.138 0.000 0.258 478 T C 1.543 176.330 174.700 0.146 0.000 1.043 478 T CA 1.018 63.176 62.100 0.097 0.000 1.141 478 T CB -0.436 68.442 68.868 0.017 0.000 0.873 478 T HN 0.561 nan 8.240 nan 0.000 0.449 479 E N 1.332 121.577 120.200 0.075 0.000 2.049 479 E HA -0.066 4.202 4.350 -0.138 0.000 0.198 479 E C 0.751 177.412 176.600 0.102 0.000 1.007 479 E CA 1.229 57.665 56.400 0.060 0.000 0.809 479 E CB -0.043 29.654 29.700 -0.005 0.000 0.749 479 E HN 0.472 nan 8.360 nan 0.000 0.450 480 S N -1.290 114.457 115.700 0.077 0.000 2.572 480 S HA 0.185 4.572 4.470 -0.138 0.000 0.274 480 S C 0.063 174.593 174.600 -0.116 0.000 1.150 480 S CA -0.718 57.491 58.200 0.016 0.000 0.944 480 S CB 1.598 64.781 63.200 -0.028 0.000 1.071 480 S HN 0.140 nan 8.310 nan 0.000 0.479 481 L N 5.957 126.906 121.223 -0.456 0.000 2.027 481 L HA 0.102 4.360 4.340 -0.138 0.000 0.206 481 L C 1.910 178.592 176.870 -0.313 0.000 1.074 481 L CA 2.159 56.586 54.840 -0.689 0.000 0.745 481 L CB -0.516 40.730 42.059 -1.354 0.000 0.898 481 L HN 0.678 nan 8.230 nan 0.000 0.433 482 V N -0.696 119.074 119.914 -0.239 0.000 2.970 482 V HA -0.143 3.894 4.120 -0.138 0.000 0.260 482 V C 1.289 177.327 176.094 -0.092 0.000 1.100 482 V CA 1.666 63.883 62.300 -0.139 0.000 1.122 482 V CB -1.125 30.630 31.823 -0.114 0.000 0.721 482 V HN 0.533 nan 8.190 nan 0.000 0.483 483 N N -0.652 118.000 118.700 -0.080 0.000 2.275 483 N HA 0.204 4.862 4.740 -0.138 0.000 0.236 483 N C 1.556 177.048 175.510 -0.029 0.000 1.154 483 N CA -0.288 52.730 53.050 -0.052 0.000 0.866 483 N CB 0.259 38.714 38.487 -0.054 0.000 1.093 483 N HN 0.302 nan 8.380 nan 0.000 0.515 484 R N 0.739 121.239 120.500 -0.001 0.000 2.073 484 R HA -0.007 4.250 4.340 -0.138 0.000 0.234 484 R C 2.245 178.672 176.300 0.212 0.000 1.134 484 R CA 1.268 57.425 56.100 0.095 0.000 0.952 484 R CB 0.007 30.396 30.300 0.148 0.000 0.850 484 R HN 0.163 nan 8.270 nan 0.000 0.433 485 R N 0.320 120.909 120.500 0.148 0.000 2.088 485 R HA -0.095 4.162 4.340 -0.138 0.000 0.232 485 R C -0.786 175.591 176.300 0.129 0.000 1.136 485 R CA 1.802 57.998 56.100 0.159 0.000 0.926 485 R CB -1.429 28.912 30.300 0.069 0.000 0.837 485 R HN 0.110 nan 8.270 nan 0.000 0.429 486 P HA -0.194 nan 4.420 nan 0.000 0.218 486 P C 1.655 178.951 177.300 -0.006 0.000 1.154 486 P CA 1.266 64.373 63.100 0.012 0.000 0.872 486 P CB -0.280 31.409 31.700 -0.019 0.000 0.790 487 c N -2.312 116.263 118.600 -0.041 0.000 2.432 487 c HA -0.139 4.348 4.570 -0.138 0.000 0.277 487 c C 2.438 176.420 174.090 -0.179 0.000 1.249 487 c CA 0.682 56.921 56.329 -0.151 0.000 1.725 487 c CB -2.101 40.252 42.510 -0.263 0.000 2.028 487 c HN 0.078 nan 8.230 nan 0.000 0.477 488 F N 1.242 121.176 119.950 -0.027 0.000 2.259 488 F HA -0.039 4.408 4.527 -0.133 0.000 0.298 488 F C 2.735 178.489 175.800 -0.076 0.000 1.088 488 F CA 1.725 59.702 58.000 -0.039 0.000 1.358 488 F CB -0.633 38.393 39.000 0.043 0.000 1.040 488 F HN 0.127 nan 8.300 nan 0.000 0.505 489 S N -0.165 115.614 115.700 0.132 0.000 2.402 489 S HA -0.129 4.259 4.470 -0.138 0.000 0.229 489 S C 2.325 176.921 174.600 -0.006 0.000 1.021 489 S CA 0.926 59.159 58.200 0.056 0.000 0.974 489 S CB -0.550 62.687 63.200 0.062 0.000 0.800 489 S HN 0.354 nan 8.310 nan 0.000 0.484 490 A N 1.151 123.959 122.820 -0.020 0.000 1.969 490 A HA 0.175 4.412 4.320 -0.138 0.000 0.218 490 A C 0.930 178.476 177.584 -0.063 0.000 1.169 490 A CA 0.500 52.511 52.037 -0.043 0.000 0.635 490 A CB -0.496 18.472 19.000 -0.053 0.000 0.810 490 A HN 0.413 nan 8.150 nan 0.000 0.445 491 L N -0.142 121.032 121.223 -0.081 0.000 2.485 491 L HA 0.096 4.353 4.340 -0.138 0.000 0.275 491 L C 1.212 178.020 176.870 -0.103 0.000 1.207 491 L CA -0.094 54.687 54.840 -0.098 0.000 0.855 491 L CB 0.621 42.617 42.059 -0.104 0.000 1.114 491 L HN 0.488 nan 8.230 nan 0.000 0.485 492 E N 2.295 122.442 120.200 -0.089 0.000 3.076 492 E HA 0.234 4.501 4.350 -0.138 0.000 0.279 492 E C -0.924 175.625 176.600 -0.086 0.000 0.945 492 E CA -0.072 56.279 56.400 -0.083 0.000 1.046 492 E CB 0.682 30.349 29.700 -0.055 0.000 2.828 492 E HN 0.258 nan 8.360 nan 0.000 0.582 493 V N 1.133 121.012 119.914 -0.058 0.000 2.483 493 V HA 0.471 4.508 4.120 -0.138 0.000 0.297 493 V C -1.078 174.999 176.094 -0.029 0.000 1.027 493 V CA -0.860 61.410 62.300 -0.050 0.000 0.855 493 V CB 1.603 33.407 31.823 -0.032 0.000 0.995 493 V HN 0.432 nan 8.190 nan 0.000 0.424 494 D N 4.354 124.737 120.400 -0.028 0.000 2.368 494 D HA 0.056 4.614 4.640 -0.138 0.000 0.268 494 D C 1.078 177.408 176.300 0.050 0.000 1.298 494 D CA 0.481 54.486 54.000 0.007 0.000 0.938 494 D CB 1.049 41.856 40.800 0.011 0.000 1.101 494 D HN 0.813 nan 8.370 nan 0.000 0.509 495 E N 1.364 121.582 120.200 0.030 0.000 2.478 495 E HA -0.094 4.174 4.350 -0.138 0.000 0.198 495 E C 1.385 178.010 176.600 0.042 0.000 1.046 495 E CA 0.718 57.138 56.400 0.032 0.000 0.870 495 E CB 0.209 29.916 29.700 0.012 0.000 0.818 495 E HN 0.548 nan 8.360 nan 0.000 0.527 496 T N -2.619 111.970 114.554 0.058 0.000 3.023 496 T HA -0.014 4.253 4.350 -0.138 0.000 0.253 496 T C 0.309 175.053 174.700 0.072 0.000 1.038 496 T CA -0.513 61.615 62.100 0.048 0.000 0.962 496 T CB -0.228 68.661 68.868 0.036 0.000 1.018 496 T HN 0.096 nan 8.240 nan 0.000 0.521 497 Y N 2.386 122.678 120.300 -0.013 0.000 2.425 497 Y HA 0.475 4.943 4.550 -0.136 0.000 0.331 497 Y C -0.215 175.675 175.900 -0.016 0.000 1.157 497 Y CA -1.216 56.876 58.100 -0.013 0.000 1.372 497 Y CB 0.940 39.394 38.460 -0.011 0.000 1.253 497 Y HN 0.054 nan 8.280 nan 0.000 0.536 498 V N 9.545 128.969 119.914 -0.815 0.000 2.347 498 V HA 0.472 4.509 4.120 -0.138 0.000 0.280 498 V C -2.405 173.101 176.094 -0.979 0.000 1.021 498 V CA -2.605 59.305 62.300 -0.650 0.000 0.847 498 V CB 0.658 32.271 31.823 -0.349 0.000 0.990 498 V HN 0.792 nan 8.190 nan 0.000 0.444 499 P HA -0.009 nan 4.420 nan 0.000 0.263 499 P C -0.304 176.825 177.300 -0.284 0.000 1.168 499 P CA 0.556 63.470 63.100 -0.310 0.000 0.759 499 P CB 0.321 31.979 31.700 -0.069 0.000 0.782 500 K N 1.948 122.190 120.400 -0.263 0.000 2.149 500 K HA 0.168 4.405 4.320 -0.138 0.000 0.245 500 K C 0.235 176.594 176.600 -0.402 0.000 1.024 500 K CA -0.078 55.982 56.287 -0.378 0.000 0.899 500 K CB 0.384 32.552 32.500 -0.553 0.000 1.038 500 K HN 0.447 nan 8.250 nan 0.000 0.496 501 E N 0.998 121.045 120.200 -0.254 0.000 2.210 501 E HA 0.143 4.411 4.350 -0.138 0.000 0.266 501 E C -1.297 175.391 176.600 0.146 0.000 0.883 501 E CA -0.699 55.684 56.400 -0.028 0.000 0.761 501 E CB 1.017 30.709 29.700 -0.013 0.000 1.156 501 E HN 0.274 nan 8.360 nan 0.000 0.412 502 F N 4.522 124.588 119.950 0.194 0.000 2.563 502 F HA 0.068 4.511 4.527 -0.139 0.000 0.363 502 F C 0.372 176.240 175.800 0.113 0.000 1.123 502 F CA 0.419 58.555 58.000 0.226 0.000 1.307 502 F CB 0.376 39.468 39.000 0.154 0.000 1.115 502 F HN 0.471 nan 8.300 nan 0.000 0.592 503 N N 3.884 122.078 118.700 -0.843 0.000 2.504 503 N HA 0.378 5.035 4.740 -0.138 0.000 0.268 503 N C -0.265 174.755 175.510 -0.818 0.000 1.184 503 N CA -0.225 52.506 53.050 -0.533 0.000 0.875 503 N CB 1.447 39.792 38.487 -0.236 0.000 1.630 503 N HN 0.652 nan 8.380 nan 0.000 0.486 504 A N 1.776 124.353 122.820 -0.405 0.000 1.869 504 A HA -0.234 4.003 4.320 -0.138 0.000 0.218 504 A C 1.596 179.037 177.584 -0.239 0.000 1.203 504 A CA 1.737 53.625 52.037 -0.249 0.000 0.638 504 A CB -0.782 18.178 19.000 -0.066 0.000 0.831 504 A HN 0.809 nan 8.150 nan 0.000 0.450 505 E N -0.073 120.022 120.200 -0.176 0.000 2.331 505 E HA -0.129 4.138 4.350 -0.138 0.000 0.199 505 E C 1.965 178.472 176.600 -0.155 0.000 1.008 505 E CA 1.318 57.639 56.400 -0.131 0.000 0.843 505 E CB -1.190 28.458 29.700 -0.087 0.000 0.761 505 E HN 0.680 nan 8.360 nan 0.000 0.507 506 T N 0.380 114.793 114.554 -0.235 0.000 2.597 506 T HA -0.179 4.089 4.350 -0.138 0.000 0.267 506 T C 0.498 175.184 174.700 -0.024 0.000 1.053 506 T CA 1.218 63.236 62.100 -0.138 0.000 1.165 506 T CB -0.168 68.564 68.868 -0.226 0.000 0.863 506 T HN 0.075 nan 8.240 nan 0.000 0.427 507 F N 0.745 120.547 119.950 -0.246 0.000 2.536 507 F HA 0.411 4.855 4.527 -0.139 0.000 0.322 507 F C -0.280 175.224 175.800 -0.495 0.000 1.144 507 F CA -0.810 57.000 58.000 -0.316 0.000 0.924 507 F CB 1.977 40.764 39.000 -0.355 0.000 1.181 507 F HN -0.189 nan 8.300 nan 0.000 0.438 508 T N 5.862 120.108 114.554 -0.514 0.000 2.875 508 T HA 0.298 4.565 4.350 -0.138 0.000 0.284 508 T C 0.335 174.857 174.700 -0.295 0.000 0.995 508 T CA 0.046 61.946 62.100 -0.333 0.000 1.060 508 T CB 0.764 69.580 68.868 -0.087 0.000 0.967 508 T HN 0.424 nan 8.240 nan 0.000 0.476 509 F N 0.431 120.367 119.950 -0.023 0.000 2.720 509 F HA 0.254 4.698 4.527 -0.138 0.000 0.301 509 F C 1.145 176.995 175.800 0.083 0.000 1.103 509 F CA -0.861 57.260 58.000 0.202 0.000 1.291 509 F CB -0.691 38.562 39.000 0.422 0.000 1.086 509 F HN 0.638 nan 8.300 nan 0.000 0.592 510 H N -0.228 118.955 119.070 0.188 0.000 3.148 510 H HA -0.072 4.401 4.556 -0.138 0.000 0.299 510 H C 1.532 176.446 175.328 -0.690 0.000 0.956 510 H CA 0.461 56.395 56.048 -0.190 0.000 1.306 510 H CB 0.330 30.036 29.762 -0.092 0.000 1.158 510 H HN 0.243 nan 8.280 nan 0.000 0.599 511 A N 3.243 125.514 122.820 -0.914 0.000 2.076 511 A HA -0.249 3.988 4.320 -0.138 0.000 0.220 511 A C 2.061 179.420 177.584 -0.375 0.000 1.160 511 A CA 1.477 52.840 52.037 -1.124 0.000 0.653 511 A CB -0.482 18.177 19.000 -0.569 0.000 0.801 511 A HN 0.959 nan 8.150 nan 0.000 0.455 512 D N 0.302 120.602 120.400 -0.167 0.000 2.369 512 D HA -0.236 4.322 4.640 -0.138 0.000 0.213 512 D C 1.354 177.665 176.300 0.019 0.000 0.982 512 D CA 1.404 55.379 54.000 -0.040 0.000 0.931 512 D CB -0.574 40.222 40.800 -0.007 0.000 0.889 512 D HN 0.535 nan 8.370 nan 0.000 0.487 513 I N 0.134 120.737 120.570 0.056 0.000 2.546 513 I HA -0.184 3.903 4.170 -0.138 0.000 0.255 513 I C 1.676 177.869 176.117 0.125 0.000 1.163 513 I CA 0.592 61.980 61.300 0.146 0.000 1.457 513 I CB 0.095 38.265 38.000 0.284 0.000 1.092 513 I HN 0.079 nan 8.210 nan 0.000 0.434 514 c N -0.350 118.315 118.600 0.109 0.000 2.485 514 c HA -0.031 4.457 4.570 -0.138 0.000 0.283 514 c C 2.518 176.641 174.090 0.054 0.000 1.478 514 c CA 0.948 57.329 56.329 0.087 0.000 1.741 514 c CB -2.123 40.440 42.510 0.089 0.000 1.675 514 c HN 0.560 nan 8.230 nan 0.000 0.573 515 T N 0.011 114.593 114.554 0.048 0.000 3.023 515 T HA 0.254 4.521 4.350 -0.138 0.000 0.249 515 T C 0.598 175.323 174.700 0.041 0.000 1.050 515 T CA 0.040 62.162 62.100 0.036 0.000 1.088 515 T CB -0.091 68.793 68.868 0.026 0.000 0.946 515 T HN 0.368 nan 8.240 nan 0.000 0.480 516 L N 3.202 124.456 121.223 0.053 0.000 2.482 516 L HA 0.259 4.517 4.340 -0.138 0.000 0.273 516 L C 1.165 178.065 176.870 0.051 0.000 1.228 516 L CA -0.620 54.253 54.840 0.056 0.000 0.827 516 L CB 0.236 42.339 42.059 0.073 0.000 1.099 516 L HN 0.263 nan 8.230 nan 0.000 0.494 517 S N -0.058 115.671 115.700 0.048 0.000 2.587 517 S HA -0.026 4.361 4.470 -0.138 0.000 0.260 517 S C 0.923 175.548 174.600 0.042 0.000 1.353 517 S CA -0.313 57.911 58.200 0.041 0.000 0.995 517 S CB 0.808 64.032 63.200 0.041 0.000 0.912 517 S HN 0.682 nan 8.310 nan 0.000 0.568 518 E N 1.422 121.639 120.200 0.028 0.000 2.118 518 E HA -0.121 4.146 4.350 -0.138 0.000 0.195 518 E C 2.330 178.945 176.600 0.025 0.000 0.992 518 E CA 2.272 58.682 56.400 0.016 0.000 0.804 518 E CB -0.977 28.722 29.700 -0.002 0.000 0.741 518 E HN 0.783 nan 8.360 nan 0.000 0.458 519 K N 1.218 121.641 120.400 0.038 0.000 1.973 519 K HA -0.116 4.121 4.320 -0.138 0.000 0.212 519 K C 2.136 178.784 176.600 0.080 0.000 1.047 519 K CA 1.733 58.054 56.287 0.056 0.000 0.937 519 K CB -1.227 31.309 32.500 0.061 0.000 0.721 519 K HN 0.387 nan 8.250 nan 0.000 0.440 520 E N -0.497 119.751 120.200 0.080 0.000 2.396 520 E HA -0.163 4.104 4.350 -0.138 0.000 0.200 520 E C 2.266 178.940 176.600 0.123 0.000 1.023 520 E CA 0.674 57.132 56.400 0.097 0.000 0.857 520 E CB -0.031 29.720 29.700 0.084 0.000 0.775 520 E HN 0.471 nan 8.360 nan 0.000 0.525 521 R N 0.563 121.129 120.500 0.110 0.000 2.080 521 R HA -0.065 4.192 4.340 -0.138 0.000 0.222 521 R C 2.216 178.613 176.300 0.163 0.000 1.107 521 R CA 0.974 57.153 56.100 0.131 0.000 0.980 521 R CB 0.175 30.525 30.300 0.083 0.000 0.879 521 R HN 0.109 nan 8.270 nan 0.000 0.439 522 Q N 0.095 119.971 119.800 0.127 0.000 2.079 522 Q HA -0.137 4.121 4.340 -0.138 0.000 0.200 522 Q C 2.101 178.253 176.000 0.252 0.000 0.974 522 Q CA 1.549 57.460 55.803 0.180 0.000 0.840 522 Q CB -0.028 28.786 28.738 0.126 0.000 0.898 522 Q HN 0.377 nan 8.270 nan 0.000 0.430 523 I N 1.096 121.785 120.570 0.199 0.000 2.163 523 I HA -0.328 3.759 4.170 -0.138 0.000 0.243 523 I C 2.782 179.029 176.117 0.217 0.000 1.085 523 I CA 1.792 63.203 61.300 0.185 0.000 1.347 523 I CB -0.522 37.563 38.000 0.143 0.000 1.044 523 I HN 0.188 nan 8.210 nan 0.000 0.408 524 K N 0.952 121.503 120.400 0.252 0.000 2.280 524 K HA -0.165 4.072 4.320 -0.138 0.000 0.202 524 K C 1.983 178.843 176.600 0.434 0.000 1.047 524 K CA 1.475 57.972 56.287 0.349 0.000 0.942 524 K CB -0.645 32.081 32.500 0.376 0.000 0.739 524 K HN 0.392 nan 8.250 nan 0.000 0.457 525 K N -0.374 120.254 120.400 0.379 0.000 2.076 525 K HA -0.044 4.193 4.320 -0.138 0.000 0.204 525 K C 2.576 179.299 176.600 0.204 0.000 1.051 525 K CA 1.227 57.738 56.287 0.372 0.000 0.949 525 K CB 0.104 32.838 32.500 0.390 0.000 0.726 525 K HN 0.499 nan 8.250 nan 0.000 0.443 526 Q N -0.239 119.681 119.800 0.200 0.000 2.167 526 Q HA -0.078 4.179 4.340 -0.138 0.000 0.202 526 Q C 1.725 177.777 176.000 0.088 0.000 0.970 526 Q CA 1.442 57.312 55.803 0.112 0.000 0.855 526 Q CB 0.203 29.010 28.738 0.114 0.000 0.911 526 Q HN 0.219 nan 8.270 nan 0.000 0.438 527 T N 0.241 114.887 114.554 0.154 0.000 2.915 527 T HA -0.080 4.187 4.350 -0.138 0.000 0.269 527 T C 1.741 176.533 174.700 0.154 0.000 1.071 527 T CA 0.979 63.192 62.100 0.189 0.000 1.132 527 T CB -0.106 68.932 68.868 0.283 0.000 0.878 527 T HN 0.361 nan 8.240 nan 0.000 0.479 528 A N 1.262 124.078 122.820 -0.007 0.000 1.897 528 A HA 0.074 4.311 4.320 -0.138 0.000 0.215 528 A C 2.176 179.566 177.584 -0.323 0.000 1.181 528 A CA 0.936 52.684 52.037 -0.482 0.000 0.620 528 A CB -0.750 17.756 19.000 -0.824 0.000 0.821 528 A HN 0.388 nan 8.150 nan 0.000 0.443 529 L N 0.044 121.166 121.223 -0.167 0.000 2.042 529 L HA -0.123 4.134 4.340 -0.138 0.000 0.210 529 L C 2.416 179.239 176.870 -0.077 0.000 1.076 529 L CA 1.846 56.617 54.840 -0.117 0.000 0.749 529 L CB -0.546 41.473 42.059 -0.066 0.000 0.893 529 L HN 0.163 nan 8.230 nan 0.000 0.432 530 V N -0.388 119.504 119.914 -0.036 0.000 2.295 530 V HA -0.253 3.784 4.120 -0.138 0.000 0.246 530 V C 2.654 178.758 176.094 0.017 0.000 1.049 530 V CA 1.809 64.107 62.300 -0.003 0.000 1.024 530 V CB -0.644 31.195 31.823 0.026 0.000 0.648 530 V HN 0.445 nan 8.190 nan 0.000 0.447 531 E N -0.219 119.987 120.200 0.010 0.000 2.118 531 E HA -0.169 4.098 4.350 -0.138 0.000 0.195 531 E C 2.197 178.794 176.600 -0.005 0.000 0.992 531 E CA 1.009 57.434 56.400 0.042 0.000 0.804 531 E CB -0.299 29.395 29.700 -0.010 0.000 0.741 531 E HN 0.476 nan 8.360 nan 0.000 0.458 532 L N 0.252 121.407 121.223 -0.114 0.000 2.005 532 L HA -0.162 4.095 4.340 -0.138 0.000 0.207 532 L C 2.391 179.272 176.870 0.018 0.000 1.072 532 L CA 1.071 55.844 54.840 -0.111 0.000 0.744 532 L CB -0.401 41.565 42.059 -0.156 0.000 0.895 532 L HN 0.026 nan 8.230 nan 0.000 0.433 533 V N -0.188 119.731 119.914 0.008 0.000 2.688 533 V HA -0.282 3.755 4.120 -0.138 0.000 0.256 533 V C 2.310 178.446 176.094 0.070 0.000 1.084 533 V CA 1.525 63.838 62.300 0.023 0.000 1.103 533 V CB -0.672 31.142 31.823 -0.014 0.000 0.688 533 V HN 0.434 nan 8.190 nan 0.000 0.480 534 K N -1.129 119.350 120.400 0.132 0.000 2.296 534 K HA -0.011 4.226 4.320 -0.138 0.000 0.200 534 K C 1.866 178.645 176.600 0.299 0.000 1.048 534 K CA 0.802 57.200 56.287 0.186 0.000 0.966 534 K CB -0.089 32.538 32.500 0.213 0.000 0.754 534 K HN 0.643 nan 8.250 nan 0.000 0.466 535 H N -0.558 118.584 119.070 0.120 0.000 2.582 535 H HA 0.064 4.537 4.556 -0.139 0.000 0.269 535 H C 0.643 176.019 175.328 0.080 0.000 0.962 535 H CA 0.568 56.682 56.048 0.111 0.000 1.230 535 H CB 0.731 30.547 29.762 0.090 0.000 1.445 535 H HN -0.022 nan 8.280 nan 0.000 0.528 536 K N 1.147 121.655 120.400 0.179 0.000 3.098 536 K HA 0.261 4.498 4.320 -0.138 0.000 0.170 536 K C -2.676 173.971 176.600 0.078 0.000 1.106 536 K CA -1.309 55.039 56.287 0.101 0.000 0.864 536 K CB 0.564 33.099 32.500 0.058 0.000 1.047 536 K HN -0.070 nan 8.250 nan 0.000 0.609 537 P HA -0.276 nan 4.420 nan 0.000 0.208 537 P C 2.110 179.434 177.300 0.041 0.000 1.180 537 P CA 2.922 66.065 63.100 0.073 0.000 0.935 537 P CB 0.244 32.024 31.700 0.133 0.000 0.785 538 K N 0.284 120.712 120.400 0.047 0.000 1.983 538 K HA 0.032 4.269 4.320 -0.138 0.000 0.225 538 K C 1.474 178.085 176.600 0.018 0.000 1.030 538 K CA 1.519 57.823 56.287 0.028 0.000 1.027 538 K CB -1.913 30.603 32.500 0.028 0.000 0.757 538 K HN 0.335 nan 8.250 nan 0.000 0.444 539 A N 1.272 124.102 122.820 0.017 0.000 2.540 539 A HA 0.402 4.639 4.320 -0.138 0.000 0.268 539 A C -0.062 177.526 177.584 0.006 0.000 1.061 539 A CA 1.294 53.337 52.037 0.009 0.000 0.821 539 A CB -1.054 17.951 19.000 0.008 0.000 0.970 539 A HN 0.712 nan 8.150 nan 0.000 0.524 540 T N 1.786 116.340 114.554 0.001 0.000 4.445 540 T HA 0.562 4.829 4.350 -0.138 0.000 0.365 540 T C 0.405 175.102 174.700 -0.006 0.000 0.885 540 T CA 0.137 62.234 62.100 -0.004 0.000 0.987 540 T CB 0.757 69.623 68.868 -0.004 0.000 1.150 540 T HN 1.232 nan 8.240 nan 0.000 0.464 541 K N 1.553 121.949 120.400 -0.007 0.000 2.937 541 K HA 0.508 4.745 4.320 -0.138 0.000 0.194 541 K C 0.668 177.264 176.600 -0.006 0.000 1.589 541 K CA 0.216 56.500 56.287 -0.006 0.000 1.303 541 K CB 0.124 32.622 32.500 -0.003 0.000 1.864 541 K HN 0.503 nan 8.250 nan 0.000 0.608 542 E N 0.241 120.437 120.200 -0.006 0.000 2.767 542 E HA 0.072 4.340 4.350 -0.138 0.000 0.192 542 E C 1.250 177.846 176.600 -0.007 0.000 0.938 542 E CA 0.128 56.525 56.400 -0.005 0.000 1.312 542 E CB 1.219 30.919 29.700 -0.002 0.000 1.072 542 E HN 0.538 nan 8.360 nan 0.000 0.511 543 Q N 0.550 120.343 119.800 -0.011 0.000 2.123 543 Q HA 0.063 4.320 4.340 -0.138 0.000 0.196 543 Q C 1.900 177.888 176.000 -0.019 0.000 0.958 543 Q CA 0.570 56.364 55.803 -0.015 0.000 0.841 543 Q CB -0.003 28.725 28.738 -0.017 0.000 0.915 543 Q HN 0.266 nan 8.270 nan 0.000 0.455 544 L N 1.488 122.698 121.223 -0.022 0.000 1.976 544 L HA -0.342 3.915 4.340 -0.138 0.000 0.223 544 L C 3.081 179.939 176.870 -0.020 0.000 1.081 544 L CA 2.768 57.591 54.840 -0.029 0.000 0.784 544 L CB -1.218 40.824 42.059 -0.028 0.000 0.896 544 L HN 0.376 nan 8.230 nan 0.000 0.438 545 K N -0.027 120.367 120.400 -0.009 0.000 1.991 545 K HA -0.154 4.084 4.320 -0.138 0.000 0.212 545 K C 2.240 178.846 176.600 0.011 0.000 1.049 545 K CA 1.843 58.133 56.287 0.005 0.000 0.932 545 K CB -1.599 30.906 32.500 0.008 0.000 0.717 545 K HN 0.460 nan 8.250 nan 0.000 0.441 546 A N 0.436 123.259 122.820 0.004 0.000 1.971 546 A HA -0.129 4.108 4.320 -0.138 0.000 0.222 546 A C 2.607 180.194 177.584 0.006 0.000 1.182 546 A CA 2.388 54.428 52.037 0.005 0.000 0.649 546 A CB -0.771 18.227 19.000 -0.003 0.000 0.818 546 A HN 0.437 nan 8.150 nan 0.000 0.458 547 V N -0.862 119.049 119.914 -0.005 0.000 2.407 547 V HA -0.184 3.854 4.120 -0.138 0.000 0.245 547 V C 2.568 178.676 176.094 0.022 0.000 1.041 547 V CA 1.693 63.986 62.300 -0.012 0.000 1.040 547 V CB -0.544 31.247 31.823 -0.052 0.000 0.671 547 V HN 0.486 nan 8.190 nan 0.000 0.455 548 M N -0.041 119.573 119.600 0.024 0.000 2.213 548 M HA -0.152 4.245 4.480 -0.138 0.000 0.263 548 M C 1.867 178.242 176.300 0.126 0.000 1.062 548 M CA 1.495 56.842 55.300 0.079 0.000 1.105 548 M CB -1.321 31.312 32.600 0.055 0.000 1.385 548 M HN 0.350 nan 8.290 nan 0.000 0.417 549 D N 0.307 120.754 120.400 0.078 0.000 2.144 549 D HA -0.154 4.403 4.640 -0.138 0.000 0.199 549 D C 1.682 178.022 176.300 0.066 0.000 0.984 549 D CA 1.089 55.129 54.000 0.067 0.000 0.834 549 D CB -0.254 40.570 40.800 0.040 0.000 0.955 549 D HN 0.298 nan 8.370 nan 0.000 0.465 550 D N -0.645 119.795 120.400 0.068 0.000 2.149 550 D HA -0.112 4.445 4.640 -0.138 0.000 0.201 550 D C 1.772 178.137 176.300 0.109 0.000 0.972 550 D CA 0.216 54.254 54.000 0.063 0.000 0.835 550 D CB -0.202 40.621 40.800 0.039 0.000 0.966 550 D HN 0.086 nan 8.370 nan 0.000 0.476 551 F N 1.620 121.552 119.950 -0.030 0.000 2.134 551 F HA -0.130 4.314 4.527 -0.139 0.000 0.299 551 F C 2.120 177.952 175.800 0.053 0.000 1.097 551 F CA 1.334 59.315 58.000 -0.031 0.000 1.264 551 F CB -0.509 38.460 39.000 -0.053 0.000 1.001 551 F HN -0.063 nan 8.300 nan 0.000 0.479 552 A N 0.452 123.277 122.820 0.008 0.000 1.865 552 A HA -0.103 4.135 4.320 -0.138 0.000 0.217 552 A C 2.508 180.029 177.584 -0.105 0.000 1.191 552 A CA 2.177 54.172 52.037 -0.071 0.000 0.623 552 A CB -1.653 17.359 19.000 0.021 0.000 0.826 552 A HN 0.487 nan 8.150 nan 0.000 0.444 553 A N -0.923 121.867 122.820 -0.049 0.000 1.903 553 A HA -0.195 4.042 4.320 -0.138 0.000 0.219 553 A C 2.084 179.599 177.584 -0.115 0.000 1.191 553 A CA 1.980 53.980 52.037 -0.062 0.000 0.638 553 A CB -0.942 18.042 19.000 -0.025 0.000 0.823 553 A HN 0.835 nan 8.150 nan 0.000 0.451 554 F N 1.028 120.809 119.950 -0.281 0.000 2.043 554 F HA -0.254 4.190 4.527 -0.138 0.000 0.297 554 F C 2.265 177.779 175.800 -0.475 0.000 1.121 554 F CA 2.537 60.302 58.000 -0.392 0.000 1.199 554 F CB -0.526 38.190 39.000 -0.474 0.000 0.968 554 F HN 0.063 nan 8.300 nan 0.000 0.478 555 V N 0.590 120.284 119.914 -0.367 0.000 2.255 555 V HA -0.334 3.703 4.120 -0.138 0.000 0.247 555 V C 2.385 178.300 176.094 -0.299 0.000 1.051 555 V CA 2.282 64.361 62.300 -0.370 0.000 1.018 555 V CB -1.132 30.558 31.823 -0.222 0.000 0.641 555 V HN 0.478 nan 8.190 nan 0.000 0.445 556 E N 0.776 120.848 120.200 -0.215 0.000 2.035 556 E HA -0.364 3.903 4.350 -0.138 0.000 0.204 556 E C 2.338 178.830 176.600 -0.180 0.000 1.025 556 E CA 2.472 58.782 56.400 -0.150 0.000 0.835 556 E CB -0.200 29.431 29.700 -0.115 0.000 0.764 556 E HN 0.642 nan 8.360 nan 0.000 0.457 557 K N 0.127 120.386 120.400 -0.234 0.000 1.991 557 K HA -0.184 4.054 4.320 -0.138 0.000 0.212 557 K C 2.267 178.700 176.600 -0.278 0.000 1.049 557 K CA 2.010 58.155 56.287 -0.237 0.000 0.932 557 K CB -0.544 31.803 32.500 -0.256 0.000 0.717 557 K HN 0.249 nan 8.250 nan 0.000 0.441 558 c N 0.553 118.863 118.600 -0.483 0.000 2.419 558 c HA -0.050 4.437 4.570 -0.138 0.000 0.283 558 c C 2.748 176.745 174.090 -0.155 0.000 1.373 558 c CA 0.461 56.507 56.329 -0.471 0.000 1.781 558 c CB -1.083 40.756 42.510 -1.118 0.000 1.886 558 c HN 0.685 nan 8.230 nan 0.000 0.520 559 c N -0.319 118.214 118.600 -0.111 0.000 2.512 559 c HA 0.086 4.574 4.570 -0.138 0.000 0.276 559 c C 2.761 176.847 174.090 -0.007 0.000 1.368 559 c CA 1.393 57.739 56.329 0.029 0.000 1.755 559 c CB -0.973 41.561 42.510 0.039 0.000 2.008 559 c HN 0.716 nan 8.230 nan 0.000 0.511 560 K N -0.064 120.305 120.400 -0.052 0.000 2.358 560 K HA 0.682 4.919 4.320 -0.138 0.000 0.197 560 K C 0.608 177.181 176.600 -0.046 0.000 1.025 560 K CA 0.787 57.049 56.287 -0.042 0.000 1.104 560 K CB -0.252 32.219 32.500 -0.048 0.000 0.855 560 K HN 0.507 nan 8.250 nan 0.000 0.531 561 A N 0.599 123.383 122.820 -0.060 0.000 2.287 561 A HA 0.477 4.714 4.320 -0.138 0.000 0.273 561 A C 0.240 177.810 177.584 -0.025 0.000 1.091 561 A CA 0.129 52.134 52.037 -0.054 0.000 0.817 561 A CB 0.590 19.542 19.000 -0.080 0.000 1.069 561 A HN 0.236 nan 8.150 nan 0.000 0.492 562 D N -0.315 120.075 120.400 -0.017 0.000 2.440 562 D HA 0.043 4.600 4.640 -0.138 0.000 0.216 562 D C -0.185 176.118 176.300 0.004 0.000 1.150 562 D CA -0.145 53.853 54.000 -0.003 0.000 0.832 562 D CB -0.036 40.761 40.800 -0.004 0.000 0.992 562 D HN 0.669 nan 8.370 nan 0.000 0.502 563 D N -0.145 120.258 120.400 0.004 0.000 2.372 563 D HA -0.032 4.526 4.640 -0.138 0.000 0.243 563 D C 0.502 176.818 176.300 0.028 0.000 1.297 563 D CA -0.138 53.870 54.000 0.014 0.000 0.958 563 D CB 0.839 41.647 40.800 0.013 0.000 1.114 563 D HN -0.086 nan 8.370 nan 0.000 0.496 564 K N -0.442 119.978 120.400 0.034 0.000 2.234 564 K HA -0.010 4.227 4.320 -0.138 0.000 0.251 564 K C 0.474 177.112 176.600 0.064 0.000 1.011 564 K CA -0.228 56.084 56.287 0.041 0.000 0.889 564 K CB 0.195 32.721 32.500 0.044 0.000 1.011 564 K HN 0.439 nan 8.250 nan 0.000 0.505 565 E N 1.948 122.191 120.200 0.072 0.000 2.860 565 E HA -0.017 4.250 4.350 -0.138 0.000 0.318 565 E C 0.463 177.169 176.600 0.176 0.000 1.481 565 E CA 0.265 56.744 56.400 0.131 0.000 1.613 565 E CB -0.580 29.144 29.700 0.039 0.000 1.279 565 E HN 0.453 nan 8.360 nan 0.000 0.489 566 T N -0.350 114.286 114.554 0.136 0.000 2.852 566 T HA -0.118 4.150 4.350 -0.138 0.000 0.256 566 T C 2.032 176.815 174.700 0.139 0.000 1.038 566 T CA 1.114 63.291 62.100 0.128 0.000 1.141 566 T CB -0.279 68.636 68.868 0.079 0.000 0.869 566 T HN 0.702 nan 8.240 nan 0.000 0.439 567 c N 1.134 119.780 118.600 0.077 0.000 2.398 567 c HA -0.134 4.353 4.570 -0.138 0.000 0.282 567 c C 2.234 176.334 174.090 0.017 0.000 1.275 567 c CA 0.111 56.441 56.329 0.001 0.000 1.797 567 c CB -2.244 40.201 42.510 -0.110 0.000 1.991 567 c HN 0.383 nan 8.230 nan 0.000 0.505 568 F N 2.215 122.151 119.950 -0.024 0.000 2.126 568 F HA -0.044 4.400 4.527 -0.139 0.000 0.299 568 F C 2.684 178.623 175.800 0.232 0.000 1.096 568 F CA 2.132 60.190 58.000 0.097 0.000 1.255 568 F CB -0.470 38.587 39.000 0.095 0.000 0.997 568 F HN 0.321 nan 8.300 nan 0.000 0.479 569 A N -0.793 122.234 122.820 0.346 0.000 1.874 569 A HA -0.094 4.143 4.320 -0.138 0.000 0.214 569 A C 2.098 179.807 177.584 0.207 0.000 1.189 569 A CA 1.354 53.549 52.037 0.264 0.000 0.615 569 A CB -0.658 18.457 19.000 0.192 0.000 0.830 569 A HN 0.369 nan 8.150 nan 0.000 0.443 570 E N -0.392 119.901 120.200 0.156 0.000 2.015 570 E HA -0.183 4.084 4.350 -0.138 0.000 0.191 570 E C 2.018 178.690 176.600 0.120 0.000 0.991 570 E CA 1.410 57.878 56.400 0.114 0.000 0.802 570 E CB -0.120 29.625 29.700 0.075 0.000 0.759 570 E HN 0.543 nan 8.360 nan 0.000 0.447 571 E N -0.137 120.140 120.200 0.127 0.000 2.268 571 E HA -0.089 4.178 4.350 -0.138 0.000 0.195 571 E C 1.810 178.574 176.600 0.273 0.000 0.995 571 E CA 0.879 57.380 56.400 0.168 0.000 0.836 571 E CB -0.349 29.394 29.700 0.071 0.000 0.763 571 E HN 0.346 nan 8.360 nan 0.000 0.491 572 G N 1.170 110.141 108.800 0.285 0.000 2.418 572 G HA2 -0.304 3.573 3.960 -0.138 0.000 0.217 572 G HA3 -0.304 3.573 3.960 -0.138 0.000 0.217 572 G C 1.267 176.217 174.900 0.082 0.000 1.158 572 G CA 0.842 45.946 45.100 0.005 0.000 0.771 572 G HN 0.245 nan 8.290 nan 0.000 0.545 573 K N 0.723 121.212 120.400 0.149 0.000 2.217 573 K HA 0.124 4.361 4.320 -0.138 0.000 0.202 573 K C 2.847 179.484 176.600 0.062 0.000 1.051 573 K CA 1.176 57.539 56.287 0.126 0.000 0.952 573 K CB -0.128 32.447 32.500 0.125 0.000 0.736 573 K HN 0.358 nan 8.250 nan 0.000 0.453 574 K N 1.459 121.892 120.400 0.055 0.000 2.025 574 K HA -0.076 4.161 4.320 -0.138 0.000 0.207 574 K C 1.977 178.574 176.600 -0.005 0.000 1.049 574 K CA 1.373 57.678 56.287 0.030 0.000 0.933 574 K CB -1.008 31.519 32.500 0.045 0.000 0.714 574 K HN 0.042 nan 8.250 nan 0.000 0.438 575 L N 0.976 122.179 121.223 -0.034 0.000 2.083 575 L HA -0.074 4.183 4.340 -0.138 0.000 0.209 575 L C 2.499 179.308 176.870 -0.101 0.000 1.083 575 L CA 1.344 56.137 54.840 -0.079 0.000 0.752 575 L CB -0.248 41.702 42.059 -0.182 0.000 0.899 575 L HN 0.218 nan 8.230 nan 0.000 0.433 576 V N -0.247 119.608 119.914 -0.099 0.000 2.392 576 V HA -0.313 3.724 4.120 -0.138 0.000 0.249 576 V C 2.747 178.750 176.094 -0.152 0.000 1.059 576 V CA 1.551 63.745 62.300 -0.177 0.000 1.051 576 V CB -1.422 30.314 31.823 -0.145 0.000 0.658 576 V HN 0.588 nan 8.190 nan 0.000 0.455 577 A N 0.043 122.818 122.820 -0.076 0.000 1.877 577 A HA -0.096 4.141 4.320 -0.138 0.000 0.216 577 A C 2.443 179.992 177.584 -0.059 0.000 1.186 577 A CA 2.117 54.123 52.037 -0.053 0.000 0.620 577 A CB -0.786 18.202 19.000 -0.020 0.000 0.822 577 A HN 0.559 nan 8.150 nan 0.000 0.443 578 A N 0.434 123.220 122.820 -0.056 0.000 1.858 578 A HA -0.094 4.143 4.320 -0.138 0.000 0.216 578 A C 2.531 180.073 177.584 -0.069 0.000 1.190 578 A CA 2.560 54.567 52.037 -0.050 0.000 0.617 578 A CB -1.246 17.731 19.000 -0.039 0.000 0.827 578 A HN 0.999 nan 8.150 nan 0.000 0.443 579 S N -0.063 115.576 115.700 -0.102 0.000 2.377 579 S HA -0.388 3.999 4.470 -0.138 0.000 0.224 579 S C 1.992 176.522 174.600 -0.115 0.000 1.042 579 S CA 1.872 59.996 58.200 -0.127 0.000 1.086 579 S CB -0.971 62.109 63.200 -0.200 0.000 0.995 579 S HN 0.644 nan 8.310 nan 0.000 0.428 580 Q N 1.308 121.028 119.800 -0.134 0.000 2.173 580 Q HA -0.140 4.118 4.340 -0.138 0.000 0.208 580 Q C 2.604 178.570 176.000 -0.056 0.000 0.989 580 Q CA 1.537 57.282 55.803 -0.097 0.000 0.872 580 Q CB -0.704 27.978 28.738 -0.094 0.000 0.909 580 Q HN 0.796 nan 8.270 nan 0.000 0.420 581 A N 0.824 123.614 122.820 -0.050 0.000 1.940 581 A HA -0.057 4.180 4.320 -0.138 0.000 0.219 581 A C 1.318 178.885 177.584 -0.028 0.000 1.176 581 A CA 1.350 53.368 52.037 -0.032 0.000 0.631 581 A CB -0.625 18.358 19.000 -0.028 0.000 0.814 581 A HN 0.422 nan 8.150 nan 0.000 0.446 582 A N 0.000 122.799 122.820 -0.035 0.000 2.254 582 A HA 0.000 4.237 4.320 -0.138 0.000 0.244 582 A CA 0.000 52.020 52.037 -0.029 0.000 0.836 582 A CB 0.000 18.980 19.000 -0.033 0.000 0.831 582 A HN 0.000 nan 8.150 nan 0.000 0.486