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 2bxc_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 0.000 174.648 174.600 0.080 0.000 1.055 5 S CA 0.000 58.225 58.200 0.042 0.000 1.107 5 S CB 0.000 63.212 63.200 0.020 0.000 0.593 6 E N 2.266 122.518 120.200 0.087 0.000 2.206 6 E HA 0.218 4.493 4.350 -0.126 0.000 0.195 6 E C 1.665 178.363 176.600 0.163 0.000 0.935 6 E CA 1.356 57.840 56.400 0.139 0.000 0.875 6 E CB -0.199 29.557 29.700 0.094 0.000 0.841 6 E HN 0.472 nan 8.360 nan 0.000 0.477 7 V N 1.345 121.325 119.914 0.109 0.000 2.546 7 V HA -0.264 3.781 4.120 -0.126 0.000 0.254 7 V C 2.279 178.480 176.094 0.179 0.000 1.076 7 V CA 1.844 64.240 62.300 0.160 0.000 1.087 7 V CB -0.950 30.861 31.823 -0.019 0.000 0.674 7 V HN 0.399 nan 8.190 nan 0.000 0.470 8 A N -0.935 121.943 122.820 0.098 0.000 1.930 8 A HA -0.187 4.057 4.320 -0.126 0.000 0.215 8 A C 2.200 179.909 177.584 0.208 0.000 1.176 8 A CA 1.436 53.519 52.037 0.076 0.000 0.632 8 A CB -0.708 18.296 19.000 0.007 0.000 0.819 8 A HN 0.618 nan 8.150 nan 0.000 0.445 9 H N 0.827 119.956 119.070 0.100 0.000 2.251 9 H HA -0.126 4.355 4.556 -0.125 0.000 0.294 9 H C 2.133 177.551 175.328 0.150 0.000 1.078 9 H CA 2.142 58.252 56.048 0.104 0.000 1.246 9 H CB -0.150 29.660 29.762 0.080 0.000 1.358 9 H HN 0.254 nan 8.280 nan 0.000 0.488 10 R N -0.320 120.372 120.500 0.320 0.000 2.127 10 R HA -0.140 4.124 4.340 -0.126 0.000 0.238 10 R C 2.538 179.060 176.300 0.370 0.000 1.134 10 R CA 0.970 57.225 56.100 0.258 0.000 0.975 10 R CB -1.517 28.927 30.300 0.240 0.000 0.865 10 R HN 0.355 nan 8.270 nan 0.000 0.447 11 F N 2.271 122.358 119.950 0.229 0.000 2.102 11 F HA -0.241 4.211 4.527 -0.125 0.000 0.298 11 F C 2.724 178.551 175.800 0.045 0.000 1.105 11 F CA 2.571 60.584 58.000 0.021 0.000 1.239 11 F CB -0.419 38.404 39.000 -0.295 0.000 0.991 11 F HN 0.092 nan 8.300 nan 0.000 0.474 12 K N 0.022 120.634 120.400 0.352 0.000 2.097 12 K HA -0.163 4.081 4.320 -0.126 0.000 0.206 12 K C 1.755 178.439 176.600 0.141 0.000 1.049 12 K CA 2.017 58.444 56.287 0.234 0.000 0.933 12 K CB -1.288 31.320 32.500 0.179 0.000 0.717 12 K HN 0.494 nan 8.250 nan 0.000 0.442 13 D N 0.153 120.650 120.400 0.162 0.000 2.137 13 D HA 0.004 4.569 4.640 -0.126 0.000 0.202 13 D C 1.982 178.321 176.300 0.065 0.000 0.970 13 D CA 1.260 55.333 54.000 0.121 0.000 0.837 13 D CB 0.156 41.046 40.800 0.150 0.000 0.981 13 D HN 0.422 nan 8.370 nan 0.000 0.475 14 L N 0.096 121.351 121.223 0.054 0.000 2.249 14 L HA 0.204 4.469 4.340 -0.126 0.000 0.207 14 L C 1.293 178.126 176.870 -0.061 0.000 1.090 14 L CA 0.349 55.200 54.840 0.017 0.000 0.802 14 L CB -0.338 41.757 42.059 0.061 0.000 0.947 14 L HN 0.048 nan 8.230 nan 0.000 0.453 15 G N 0.717 109.397 108.800 -0.199 0.000 2.781 15 G HA2 -0.294 3.590 3.960 -0.126 0.000 0.683 15 G HA3 -0.294 3.590 3.960 -0.126 0.000 0.683 15 G C 0.290 174.872 174.900 -0.530 0.000 1.390 15 G CA 0.142 45.039 45.100 -0.339 0.000 0.850 15 G HN 0.277 nan 8.290 nan 0.000 0.557 16 E N -0.181 119.699 120.200 -0.533 0.000 2.049 16 E HA -0.187 4.087 4.350 -0.126 0.000 0.198 16 E C 2.235 178.786 176.600 -0.081 0.000 1.007 16 E CA 2.180 58.373 56.400 -0.346 0.000 0.809 16 E CB -0.066 29.597 29.700 -0.063 0.000 0.749 16 E HN 0.548 nan 8.360 nan 0.000 0.450 17 E N 0.676 120.854 120.200 -0.038 0.000 2.002 17 E HA -0.220 4.054 4.350 -0.126 0.000 0.205 17 E C 1.931 178.554 176.600 0.038 0.000 1.020 17 E CA 1.382 57.794 56.400 0.020 0.000 0.856 17 E CB -0.762 28.952 29.700 0.023 0.000 0.788 17 E HN 0.359 nan 8.360 nan 0.000 0.477 18 N N 0.488 119.202 118.700 0.023 0.000 2.149 18 N HA -0.159 4.505 4.740 -0.126 0.000 0.188 18 N C 1.799 177.329 175.510 0.033 0.000 1.019 18 N CA 0.732 53.797 53.050 0.025 0.000 0.857 18 N CB -0.611 37.884 38.487 0.014 0.000 0.997 18 N HN 0.108 nan 8.380 nan 0.000 0.426 19 F N 2.301 122.180 119.950 -0.118 0.000 2.069 19 F HA -0.161 4.293 4.527 -0.123 0.000 0.298 19 F C 2.134 177.926 175.800 -0.013 0.000 1.113 19 F CA 1.570 59.514 58.000 -0.095 0.000 1.214 19 F CB -0.146 38.700 39.000 -0.256 0.000 0.978 19 F HN -0.104 nan 8.300 nan 0.000 0.474 20 K N 0.084 120.666 120.400 0.305 0.000 2.103 20 K HA -0.158 4.086 4.320 -0.126 0.000 0.207 20 K C 2.255 178.899 176.600 0.072 0.000 1.048 20 K CA 1.080 57.496 56.287 0.215 0.000 0.930 20 K CB -0.522 32.083 32.500 0.176 0.000 0.716 20 K HN 0.400 nan 8.250 nan 0.000 0.444 21 A N 1.697 124.544 122.820 0.045 0.000 1.832 21 A HA -0.135 4.109 4.320 -0.126 0.000 0.214 21 A C 2.134 179.704 177.584 -0.024 0.000 1.200 21 A CA 1.146 53.195 52.037 0.020 0.000 0.610 21 A CB -0.859 18.154 19.000 0.022 0.000 0.842 21 A HN 0.150 nan 8.150 nan 0.000 0.444 22 L N -0.191 120.992 121.223 -0.067 0.000 2.064 22 L HA -0.253 4.011 4.340 -0.126 0.000 0.216 22 L C 2.483 179.300 176.870 -0.088 0.000 1.077 22 L CA 1.548 56.322 54.840 -0.111 0.000 0.766 22 L CB -0.818 41.145 42.059 -0.161 0.000 0.890 22 L HN 0.270 nan 8.230 nan 0.000 0.435 23 V N -0.388 119.480 119.914 -0.077 0.000 2.515 23 V HA -0.242 3.802 4.120 -0.126 0.000 0.250 23 V C 2.285 178.518 176.094 0.231 0.000 1.058 23 V CA 1.397 63.779 62.300 0.137 0.000 1.064 23 V CB -0.317 31.575 31.823 0.115 0.000 0.675 23 V HN 0.329 nan 8.190 nan 0.000 0.461 24 L N 0.123 121.392 121.223 0.076 0.000 2.027 24 L HA -0.088 4.176 4.340 -0.126 0.000 0.206 24 L C 2.164 179.069 176.870 0.060 0.000 1.074 24 L CA 1.842 56.723 54.840 0.067 0.000 0.745 24 L CB -0.496 41.597 42.059 0.056 0.000 0.898 24 L HN 0.212 nan 8.230 nan 0.000 0.433 25 I N -0.167 120.398 120.570 -0.008 0.000 2.127 25 I HA -0.331 3.763 4.170 -0.126 0.000 0.241 25 I C 2.647 178.697 176.117 -0.111 0.000 1.075 25 I CA 1.327 62.572 61.300 -0.091 0.000 1.334 25 I CB -0.834 37.087 38.000 -0.133 0.000 1.040 25 I HN 0.382 nan 8.210 nan 0.000 0.405 26 A N 0.878 123.647 122.820 -0.085 0.000 1.865 26 A HA -0.240 4.004 4.320 -0.126 0.000 0.217 26 A C 2.143 179.655 177.584 -0.119 0.000 1.191 26 A CA 1.730 53.650 52.037 -0.195 0.000 0.623 26 A CB -1.130 17.754 19.000 -0.193 0.000 0.826 26 A HN 0.327 nan 8.150 nan 0.000 0.444 27 F N 0.128 120.057 119.950 -0.035 0.000 2.126 27 F HA -0.139 4.311 4.527 -0.127 0.000 0.299 27 F C 2.792 178.510 175.800 -0.137 0.000 1.096 27 F CA 1.156 59.185 58.000 0.050 0.000 1.255 27 F CB -0.507 38.578 39.000 0.142 0.000 0.997 27 F HN 0.269 nan 8.300 nan 0.000 0.479 28 A N -0.523 122.212 122.820 -0.141 0.000 1.898 28 A HA -0.210 4.034 4.320 -0.126 0.000 0.216 28 A C 2.096 179.584 177.584 -0.160 0.000 1.181 28 A CA 1.490 53.362 52.037 -0.275 0.000 0.620 28 A CB -0.737 18.132 19.000 -0.218 0.000 0.819 28 A HN 0.462 nan 8.150 nan 0.000 0.442 29 Q N -1.980 117.696 119.800 -0.207 0.000 2.291 29 Q HA -0.153 4.111 4.340 -0.126 0.000 0.205 29 Q C 1.653 177.520 176.000 -0.223 0.000 0.970 29 Q CA 1.301 56.948 55.803 -0.260 0.000 0.876 29 Q CB -0.190 28.314 28.738 -0.390 0.000 0.935 29 Q HN 0.813 nan 8.270 nan 0.000 0.455 30 Y N 0.025 120.234 120.300 -0.152 0.000 2.230 30 Y HA 0.073 4.551 4.550 -0.120 0.000 0.294 30 Y C 1.063 176.925 175.900 -0.064 0.000 1.120 30 Y CA 0.456 58.452 58.100 -0.173 0.000 1.129 30 Y CB 0.400 38.630 38.460 -0.382 0.000 1.040 30 Y HN -0.059 nan 8.280 nan 0.000 0.519 31 L N 1.481 122.823 121.223 0.198 0.000 2.494 31 L HA 0.222 4.486 4.340 -0.126 0.000 0.251 31 L C 0.782 177.810 176.870 0.263 0.000 1.119 31 L CA -0.086 54.892 54.840 0.230 0.000 1.026 31 L CB 0.670 42.902 42.059 0.289 0.000 1.370 31 L HN 0.202 nan 8.230 nan 0.000 0.426 32 Q N -0.007 119.875 119.800 0.136 0.000 2.226 32 Q HA -0.179 4.085 4.340 -0.126 0.000 0.204 32 Q C 1.478 177.542 176.000 0.105 0.000 0.975 32 Q CA 1.454 57.297 55.803 0.066 0.000 0.866 32 Q CB 0.110 28.851 28.738 0.005 0.000 0.915 32 Q HN 0.638 nan 8.270 nan 0.000 0.440 33 Q N -0.945 118.936 119.800 0.135 0.000 2.425 33 Q HA 0.057 4.321 4.340 -0.126 0.000 0.204 33 Q C 0.101 176.202 176.000 0.169 0.000 0.933 33 Q CA -0.285 55.593 55.803 0.125 0.000 0.939 33 Q CB 0.500 29.292 28.738 0.089 0.000 1.044 33 Q HN 0.243 nan 8.270 nan 0.000 0.513 34 C N 2.431 121.874 119.300 0.239 0.000 2.637 34 C HA 0.265 4.649 4.460 -0.126 0.000 0.418 34 C C -2.077 173.077 174.990 0.273 0.000 1.319 34 C CA -1.776 57.334 59.018 0.153 0.000 1.949 34 C CB 0.163 27.866 27.740 -0.060 0.000 2.639 34 C HN 0.202 nan 8.230 nan 0.000 0.594 35 P HA 0.052 nan 4.420 nan 0.000 0.269 35 P C 0.510 177.870 177.300 0.100 0.000 1.209 35 P CA -0.003 63.198 63.100 0.169 0.000 0.776 35 P CB 0.223 31.959 31.700 0.060 0.000 0.876 36 F N 3.497 123.288 119.950 -0.265 0.000 2.091 36 F HA -0.268 4.183 4.527 -0.126 0.000 0.299 36 F C 1.821 177.451 175.800 -0.283 0.000 1.103 36 F CA 1.873 59.460 58.000 -0.688 0.000 1.228 36 F CB -0.511 38.013 39.000 -0.794 0.000 0.984 36 F HN 0.300 nan 8.300 nan 0.000 0.477 37 E N 0.549 120.538 120.200 -0.351 0.000 2.033 37 E HA -0.257 4.017 4.350 -0.126 0.000 0.199 37 E C 1.848 178.255 176.600 -0.321 0.000 1.011 37 E CA 1.781 57.946 56.400 -0.391 0.000 0.815 37 E CB -1.292 28.299 29.700 -0.182 0.000 0.755 37 E HN 0.429 nan 8.360 nan 0.000 0.451 38 D N 0.624 120.891 120.400 -0.221 0.000 2.133 38 D HA -0.175 4.390 4.640 -0.126 0.000 0.195 38 D C 1.956 178.130 176.300 -0.210 0.000 0.997 38 D CA 1.206 55.085 54.000 -0.202 0.000 0.840 38 D CB -0.578 40.103 40.800 -0.199 0.000 0.947 38 D HN 0.336 nan 8.370 nan 0.000 0.452 39 H N 0.172 119.161 119.070 -0.135 0.000 2.353 39 H HA -0.019 4.463 4.556 -0.124 0.000 0.300 39 H C 2.430 177.599 175.328 -0.266 0.000 1.090 39 H CA 0.645 56.624 56.048 -0.116 0.000 1.327 39 H CB -0.374 29.399 29.762 0.017 0.000 1.383 39 H HN 0.031 nan 8.280 nan 0.000 0.508 40 V N 1.255 121.012 119.914 -0.262 0.000 2.332 40 V HA -0.263 3.781 4.120 -0.126 0.000 0.248 40 V C 2.635 178.594 176.094 -0.225 0.000 1.055 40 V CA 2.020 64.130 62.300 -0.316 0.000 1.038 40 V CB -0.431 31.072 31.823 -0.534 0.000 0.651 40 V HN 0.330 nan 8.190 nan 0.000 0.450 41 K N -0.018 120.257 120.400 -0.209 0.000 2.009 41 K HA -0.176 4.068 4.320 -0.126 0.000 0.210 41 K C 2.152 178.666 176.600 -0.143 0.000 1.049 41 K CA 1.758 57.956 56.287 -0.150 0.000 0.929 41 K CB -0.268 32.156 32.500 -0.126 0.000 0.714 41 K HN 0.397 nan 8.250 nan 0.000 0.440 42 L N 0.709 121.831 121.223 -0.169 0.000 2.012 42 L HA -0.202 4.062 4.340 -0.126 0.000 0.210 42 L C 2.470 179.134 176.870 -0.344 0.000 1.073 42 L CA 1.039 55.758 54.840 -0.202 0.000 0.748 42 L CB -0.656 41.298 42.059 -0.174 0.000 0.891 42 L HN 0.067 nan 8.230 nan 0.000 0.431 43 V N 0.363 120.011 119.914 -0.444 0.000 2.332 43 V HA -0.297 3.747 4.120 -0.126 0.000 0.248 43 V C 2.336 178.348 176.094 -0.136 0.000 1.055 43 V CA 1.969 64.047 62.300 -0.371 0.000 1.038 43 V CB -0.698 30.973 31.823 -0.252 0.000 0.651 43 V HN 0.505 nan 8.190 nan 0.000 0.450 44 N N 0.145 118.784 118.700 -0.102 0.000 2.080 44 N HA -0.155 4.510 4.740 -0.126 0.000 0.189 44 N C 1.823 177.327 175.510 -0.011 0.000 1.036 44 N CA 1.540 54.570 53.050 -0.033 0.000 0.846 44 N CB -0.381 38.079 38.487 -0.046 0.000 1.015 44 N HN 0.594 nan 8.380 nan 0.000 0.423 45 E N 0.579 120.759 120.200 -0.032 0.000 2.147 45 E HA -0.139 4.136 4.350 -0.126 0.000 0.199 45 E C 1.937 178.571 176.600 0.057 0.000 1.005 45 E CA 0.938 57.339 56.400 0.002 0.000 0.810 45 E CB -0.014 29.680 29.700 -0.010 0.000 0.736 45 E HN 0.119 nan 8.360 nan 0.000 0.460 46 V N 0.960 120.890 119.914 0.025 0.000 2.453 46 V HA -0.180 3.864 4.120 -0.126 0.000 0.247 46 V C 2.246 178.415 176.094 0.125 0.000 1.048 46 V CA 1.995 64.328 62.300 0.056 0.000 1.049 46 V CB -0.470 31.314 31.823 -0.064 0.000 0.672 46 V HN 0.315 nan 8.190 nan 0.000 0.457 47 T N -0.568 114.070 114.554 0.140 0.000 2.857 47 T HA -0.189 4.086 4.350 -0.126 0.000 0.266 47 T C 1.814 176.560 174.700 0.076 0.000 1.048 47 T CA 1.528 63.737 62.100 0.180 0.000 1.139 47 T CB -0.114 68.874 68.868 0.200 0.000 0.874 47 T HN 0.611 nan 8.240 nan 0.000 0.455 48 E N 0.688 120.931 120.200 0.071 0.000 2.051 48 E HA -0.132 4.143 4.350 -0.126 0.000 0.192 48 E C 1.893 178.546 176.600 0.087 0.000 0.991 48 E CA 0.875 57.301 56.400 0.043 0.000 0.799 48 E CB -0.286 29.431 29.700 0.028 0.000 0.748 48 E HN 0.611 nan 8.360 nan 0.000 0.449 49 F N 0.926 120.839 119.950 -0.061 0.000 2.065 49 F HA -0.307 4.145 4.527 -0.125 0.000 0.298 49 F C 2.283 178.021 175.800 -0.103 0.000 1.112 49 F CA 1.175 59.136 58.000 -0.065 0.000 1.212 49 F CB -0.192 38.784 39.000 -0.041 0.000 0.975 49 F HN 0.181 nan 8.300 nan 0.000 0.476 50 A N 0.761 123.580 122.820 -0.000 0.000 1.903 50 A HA -0.340 3.904 4.320 -0.126 0.000 0.219 50 A C 2.239 179.605 177.584 -0.363 0.000 1.191 50 A CA 3.135 55.022 52.037 -0.251 0.000 0.638 50 A CB -1.615 17.200 19.000 -0.308 0.000 0.823 50 A HN 0.487 nan 8.150 nan 0.000 0.451 51 K N -0.668 119.510 120.400 -0.369 0.000 2.113 51 K HA -0.212 4.032 4.320 -0.126 0.000 0.208 51 K C 2.214 178.678 176.600 -0.227 0.000 1.047 51 K CA 2.717 58.760 56.287 -0.408 0.000 0.928 51 K CB -2.046 30.312 32.500 -0.235 0.000 0.716 51 K HN 0.986 nan 8.250 nan 0.000 0.446 52 T N -2.371 112.136 114.554 -0.079 0.000 2.904 52 T HA -0.125 4.149 4.350 -0.126 0.000 0.267 52 T C 2.250 176.945 174.700 -0.010 0.000 1.059 52 T CA 1.361 63.449 62.100 -0.020 0.000 1.137 52 T CB -0.929 67.963 68.868 0.041 0.000 0.879 52 T HN 0.498 nan 8.240 nan 0.000 0.467 53 c N 1.239 119.839 118.600 0.001 0.000 2.422 53 c HA 0.072 4.566 4.570 -0.126 0.000 0.279 53 c C 2.888 176.933 174.090 -0.075 0.000 1.305 53 c CA 0.231 56.551 56.329 -0.015 0.000 1.757 53 c CB -1.264 41.204 42.510 -0.071 0.000 1.962 53 c HN 0.475 nan 8.230 nan 0.000 0.499 54 V N 1.559 121.377 119.914 -0.161 0.000 2.255 54 V HA -0.239 3.805 4.120 -0.126 0.000 0.247 54 V C 2.680 178.720 176.094 -0.090 0.000 1.051 54 V CA 2.398 64.603 62.300 -0.158 0.000 1.018 54 V CB -1.352 30.307 31.823 -0.273 0.000 0.641 54 V HN 0.608 nan 8.190 nan 0.000 0.445 55 A N 0.063 122.832 122.820 -0.085 0.000 1.825 55 A HA -0.035 4.210 4.320 -0.126 0.000 0.214 55 A C 1.514 179.079 177.584 -0.031 0.000 1.206 55 A CA 1.534 53.540 52.037 -0.051 0.000 0.609 55 A CB -1.075 17.895 19.000 -0.049 0.000 0.851 55 A HN 0.601 nan 8.150 nan 0.000 0.445 56 D N 0.185 120.573 120.400 -0.020 0.000 2.428 56 D HA 0.504 5.068 4.640 -0.126 0.000 0.221 56 D C -0.155 176.150 176.300 0.009 0.000 1.123 56 D CA -0.340 53.658 54.000 -0.003 0.000 0.869 56 D CB 0.063 40.864 40.800 0.002 0.000 1.032 56 D HN 0.510 nan 8.370 nan 0.000 0.506 57 E N 0.732 120.935 120.200 0.005 0.000 2.705 57 E HA 0.237 4.512 4.350 -0.126 0.000 0.272 57 E C 0.490 177.107 176.600 0.028 0.000 1.528 57 E CA 0.059 56.466 56.400 0.013 0.000 1.750 57 E CB 0.178 29.880 29.700 0.003 0.000 1.439 57 E HN 0.474 nan 8.360 nan 0.000 0.449 58 S N -1.608 114.117 115.700 0.041 0.000 2.436 58 S HA 0.144 4.538 4.470 -0.126 0.000 0.207 58 S C 1.062 175.696 174.600 0.057 0.000 0.847 58 S CA 0.330 58.559 58.200 0.048 0.000 1.623 58 S CB -0.243 62.975 63.200 0.031 0.000 1.267 58 S HN 0.341 nan 8.310 nan 0.000 0.591 59 A N 1.781 124.639 122.820 0.063 0.000 2.766 59 A HA 0.017 4.261 4.320 -0.126 0.000 0.199 59 A C 1.901 179.511 177.584 0.043 0.000 1.073 59 A CA 2.854 54.920 52.037 0.049 0.000 1.016 59 A CB -1.714 17.322 19.000 0.059 0.000 0.765 59 A HN 1.076 nan 8.150 nan 0.000 0.562 60 E N -1.356 118.875 120.200 0.051 0.000 2.025 60 E HA 0.024 4.298 4.350 -0.126 0.000 0.198 60 E C 1.178 177.849 176.600 0.118 0.000 0.955 60 E CA 1.347 57.749 56.400 0.003 0.000 0.862 60 E CB -0.535 29.026 29.700 -0.232 0.000 0.837 60 E HN 0.685 nan 8.360 nan 0.000 0.488 61 N N -1.261 117.625 118.700 0.310 0.000 2.365 61 N HA 0.178 4.843 4.740 -0.126 0.000 0.257 61 N C 0.579 176.254 175.510 0.275 0.000 1.287 61 N CA -0.022 53.198 53.050 0.282 0.000 0.882 61 N CB 0.266 38.918 38.487 0.276 0.000 1.250 61 N HN 0.421 nan 8.380 nan 0.000 0.507 62 c N 1.075 119.844 118.600 0.282 0.000 2.400 62 c HA -0.117 4.377 4.570 -0.126 0.000 0.291 62 c C 1.855 175.973 174.090 0.046 0.000 1.372 62 c CA 0.929 57.314 56.329 0.093 0.000 1.800 62 c CB -0.824 41.756 42.510 0.117 0.000 1.869 62 c HN 0.584 nan 8.230 nan 0.000 0.533 63 D N -0.196 120.249 120.400 0.076 0.000 2.349 63 D HA -0.001 4.563 4.640 -0.126 0.000 0.224 63 D C 0.656 176.993 176.300 0.061 0.000 1.029 63 D CA 0.434 54.470 54.000 0.060 0.000 0.879 63 D CB 0.022 40.858 40.800 0.060 0.000 0.906 63 D HN 0.263 nan 8.370 nan 0.000 0.528 64 K N 1.099 121.538 120.400 0.064 0.000 2.120 64 K HA 0.223 4.467 4.320 -0.126 0.000 0.245 64 K C 0.289 176.929 176.600 0.066 0.000 1.024 64 K CA -0.373 55.957 56.287 0.071 0.000 0.906 64 K CB 0.969 33.521 32.500 0.086 0.000 1.051 64 K HN 0.081 nan 8.250 nan 0.000 0.491 65 S N 1.370 117.122 115.700 0.087 0.000 2.585 65 S HA 0.191 4.585 4.470 -0.126 0.000 0.277 65 S C 1.036 175.702 174.600 0.110 0.000 1.241 65 S CA -0.749 57.500 58.200 0.082 0.000 1.041 65 S CB 0.612 63.874 63.200 0.103 0.000 0.987 65 S HN 0.329 nan 8.310 nan 0.000 0.512 66 L N 1.684 122.959 121.223 0.087 0.000 2.089 66 L HA -0.161 4.103 4.340 -0.126 0.000 0.213 66 L C 2.531 179.615 176.870 0.357 0.000 1.079 66 L CA 1.894 56.897 54.840 0.271 0.000 0.758 66 L CB -2.419 39.730 42.059 0.149 0.000 0.891 66 L HN 0.799 nan 8.230 nan 0.000 0.433 67 H N -0.114 119.080 119.070 0.207 0.000 2.353 67 H HA -0.119 4.361 4.556 -0.128 0.000 0.298 67 H C 2.219 177.651 175.328 0.174 0.000 1.103 67 H CA 1.983 58.129 56.048 0.163 0.000 1.293 67 H CB -0.563 29.270 29.762 0.118 0.000 1.372 67 H HN 0.352 nan 8.280 nan 0.000 0.501 68 T N 1.051 115.771 114.554 0.277 0.000 2.770 68 T HA -0.052 4.222 4.350 -0.126 0.000 0.263 68 T C 2.821 177.629 174.700 0.180 0.000 1.039 68 T CA 1.563 63.779 62.100 0.194 0.000 1.142 68 T CB -0.901 68.057 68.868 0.150 0.000 0.868 68 T HN 0.288 nan 8.240 nan 0.000 0.435 69 L N 0.804 122.130 121.223 0.171 0.000 1.955 69 L HA 0.056 4.320 4.340 -0.126 0.000 0.213 69 L C 2.522 179.447 176.870 0.091 0.000 1.072 69 L CA 2.155 57.054 54.840 0.098 0.000 0.755 69 L CB -2.135 39.902 42.059 -0.035 0.000 0.888 69 L HN 0.324 nan 8.230 nan 0.000 0.432 70 F N 0.959 120.963 119.950 0.089 0.000 2.091 70 F HA -0.085 4.369 4.527 -0.123 0.000 0.299 70 F C 2.629 178.373 175.800 -0.093 0.000 1.103 70 F CA 1.932 59.939 58.000 0.012 0.000 1.228 70 F CB -1.148 37.814 39.000 -0.062 0.000 0.984 70 F HN 0.275 nan 8.300 nan 0.000 0.477 71 G N -0.560 108.336 108.800 0.161 0.000 2.459 71 G HA2 -0.287 3.597 3.960 -0.126 0.000 0.217 71 G HA3 -0.287 3.597 3.960 -0.126 0.000 0.217 71 G C 1.522 176.483 174.900 0.102 0.000 1.183 71 G CA 1.274 46.433 45.100 0.099 0.000 0.776 71 G HN 0.251 nan 8.290 nan 0.000 0.552 72 D N 0.131 120.602 120.400 0.118 0.000 2.123 72 D HA -0.090 4.474 4.640 -0.126 0.000 0.196 72 D C 2.807 179.169 176.300 0.102 0.000 0.992 72 D CA 1.165 55.227 54.000 0.104 0.000 0.833 72 D CB 0.014 40.876 40.800 0.103 0.000 0.954 72 D HN 0.199 nan 8.370 nan 0.000 0.455 73 K N 0.377 120.852 120.400 0.124 0.000 2.009 73 K HA -0.108 4.136 4.320 -0.126 0.000 0.210 73 K C 2.523 179.231 176.600 0.178 0.000 1.049 73 K CA 0.549 56.941 56.287 0.175 0.000 0.929 73 K CB -0.982 31.695 32.500 0.295 0.000 0.714 73 K HN 0.298 nan 8.250 nan 0.000 0.440 74 L N 0.158 121.448 121.223 0.112 0.000 2.046 74 L HA -0.159 4.105 4.340 -0.126 0.000 0.208 74 L C 2.455 179.357 176.870 0.054 0.000 1.077 74 L CA 1.113 55.976 54.840 0.038 0.000 0.747 74 L CB -0.590 41.308 42.059 -0.268 0.000 0.896 74 L HN 0.324 nan 8.230 nan 0.000 0.432 75 c N -0.011 118.635 118.600 0.076 0.000 2.514 75 c HA -0.056 4.439 4.570 -0.126 0.000 0.289 75 c C 2.423 176.552 174.090 0.066 0.000 1.458 75 c CA 1.172 57.558 56.329 0.095 0.000 1.669 75 c CB -1.946 40.632 42.510 0.114 0.000 1.613 75 c HN 0.623 nan 8.230 nan 0.000 0.594 76 T N -4.226 110.366 114.554 0.062 0.000 3.086 76 T HA 0.175 4.449 4.350 -0.126 0.000 0.250 76 T C 0.870 175.588 174.700 0.032 0.000 1.074 76 T CA 0.545 62.672 62.100 0.045 0.000 0.988 76 T CB 0.066 68.963 68.868 0.047 0.000 0.988 76 T HN 0.291 nan 8.240 nan 0.000 0.530 77 V N -0.637 119.298 119.914 0.035 0.000 3.309 77 V HA 0.498 4.542 4.120 -0.126 0.000 0.268 77 V C 2.526 178.636 176.094 0.026 0.000 1.631 77 V CA 0.161 62.473 62.300 0.019 0.000 1.018 77 V CB -0.168 31.657 31.823 0.003 0.000 0.841 77 V HN 0.439 nan 8.190 nan 0.000 0.418 78 A N 0.944 123.791 122.820 0.044 0.000 1.968 78 A HA -0.096 4.149 4.320 -0.126 0.000 0.217 78 A C 2.122 179.727 177.584 0.035 0.000 1.169 78 A CA 2.139 54.209 52.037 0.055 0.000 0.638 78 A CB -0.755 18.311 19.000 0.109 0.000 0.812 78 A HN 0.491 nan 8.150 nan 0.000 0.446 79 T N 0.715 115.287 114.554 0.029 0.000 3.052 79 T HA -0.031 4.243 4.350 -0.126 0.000 0.270 79 T C 0.662 175.367 174.700 0.008 0.000 1.147 79 T CA 0.566 62.674 62.100 0.013 0.000 1.089 79 T CB -0.626 68.249 68.868 0.013 0.000 0.875 79 T HN 0.344 nan 8.240 nan 0.000 0.541 80 L N 1.970 123.200 121.223 0.011 0.000 2.399 80 L HA 0.301 4.565 4.340 -0.126 0.000 0.257 80 L C 1.617 178.491 176.870 0.008 0.000 1.236 80 L CA -0.433 54.412 54.840 0.008 0.000 1.144 80 L CB 0.011 42.075 42.059 0.008 0.000 1.379 80 L HN 0.073 nan 8.230 nan 0.000 0.414 81 R N 0.997 121.499 120.500 0.003 0.000 2.127 81 R HA -0.192 4.072 4.340 -0.126 0.000 0.238 81 R C 2.340 178.643 176.300 0.006 0.000 1.134 81 R CA 1.493 57.593 56.100 0.001 0.000 0.975 81 R CB -0.209 30.088 30.300 -0.005 0.000 0.865 81 R HN 0.755 nan 8.270 nan 0.000 0.447 82 E N 0.546 120.750 120.200 0.006 0.000 2.273 82 E HA -0.198 4.076 4.350 -0.126 0.000 0.198 82 E C 1.783 178.391 176.600 0.013 0.000 1.002 82 E CA 1.969 58.375 56.400 0.009 0.000 0.828 82 E CB -0.985 28.720 29.700 0.007 0.000 0.747 82 E HN 0.725 nan 8.360 nan 0.000 0.491 83 T N -3.224 111.339 114.554 0.015 0.000 3.085 83 T HA 0.447 4.721 4.350 -0.126 0.000 0.241 83 T C 1.219 175.935 174.700 0.026 0.000 0.988 83 T CA 1.226 63.339 62.100 0.022 0.000 1.117 83 T CB 0.389 69.270 68.868 0.021 0.000 0.978 83 T HN 0.926 nan 8.240 nan 0.000 0.454 84 Y N 1.706 122.020 120.300 0.023 0.000 2.747 84 Y HA 0.661 5.135 4.550 -0.126 0.000 0.362 84 Y C 1.437 177.341 175.900 0.006 0.000 1.026 84 Y CA -0.935 57.180 58.100 0.024 0.000 1.135 84 Y CB -0.136 38.345 38.460 0.035 0.000 1.175 84 Y HN 0.378 nan 8.280 nan 0.000 0.643 85 G N 0.548 109.352 108.800 0.006 0.000 2.777 85 G HA2 -0.175 3.709 3.960 -0.126 0.000 0.217 85 G HA3 -0.175 3.709 3.960 -0.126 0.000 0.217 85 G C 1.552 176.435 174.900 -0.028 0.000 1.295 85 G CA 2.160 47.258 45.100 -0.004 0.000 0.800 85 G HN 1.314 nan 8.290 nan 0.000 0.637 86 E N 0.210 120.393 120.200 -0.029 0.000 2.393 86 E HA -0.059 4.215 4.350 -0.126 0.000 0.201 86 E C 2.281 178.744 176.600 -0.227 0.000 1.025 86 E CA 1.653 58.006 56.400 -0.078 0.000 0.856 86 E CB -0.402 29.303 29.700 0.008 0.000 0.771 86 E HN 0.391 nan 8.360 nan 0.000 0.526 87 M N -0.130 119.372 119.600 -0.164 0.000 2.098 87 M HA 0.157 4.562 4.480 -0.126 0.000 0.262 87 M C 2.865 179.091 176.300 -0.125 0.000 1.072 87 M CA 1.429 56.633 55.300 -0.159 0.000 1.133 87 M CB -1.187 31.404 32.600 -0.015 0.000 1.344 87 M HN 0.469 nan 8.290 nan 0.000 0.414 88 A N 0.970 123.749 122.820 -0.068 0.000 2.009 88 A HA -0.239 4.005 4.320 -0.126 0.000 0.222 88 A C 1.766 179.295 177.584 -0.090 0.000 1.175 88 A CA 2.210 54.215 52.037 -0.053 0.000 0.651 88 A CB -0.949 18.031 19.000 -0.032 0.000 0.815 88 A HN 0.515 nan 8.150 nan 0.000 0.459 89 D N -0.302 120.028 120.400 -0.117 0.000 2.104 89 D HA -0.160 4.404 4.640 -0.126 0.000 0.194 89 D C 2.024 178.217 176.300 -0.179 0.000 0.994 89 D CA 1.575 55.502 54.000 -0.121 0.000 0.830 89 D CB -0.886 39.850 40.800 -0.107 0.000 0.959 89 D HN 0.494 nan 8.370 nan 0.000 0.452 90 c N 0.696 119.124 118.600 -0.287 0.000 2.413 90 c HA -0.166 4.328 4.570 -0.126 0.000 0.277 90 c C 3.077 176.930 174.090 -0.396 0.000 1.265 90 c CA 0.300 56.343 56.329 -0.478 0.000 1.752 90 c CB -1.017 40.957 42.510 -0.892 0.000 1.998 90 c HN 0.460 nan 8.230 nan 0.000 0.489 91 c N 0.648 119.116 118.600 -0.222 0.000 2.446 91 c HA 0.062 4.556 4.570 -0.126 0.000 0.279 91 c C 2.830 176.878 174.090 -0.070 0.000 1.366 91 c CA 0.881 57.157 56.329 -0.088 0.000 1.763 91 c CB -1.548 40.962 42.510 0.000 0.000 1.929 91 c HN 0.707 nan 8.230 nan 0.000 0.509 92 A N 0.040 122.810 122.820 -0.083 0.000 2.235 92 A HA 0.043 4.287 4.320 -0.126 0.000 0.208 92 A C 1.034 178.580 177.584 -0.063 0.000 1.172 92 A CA 0.671 52.674 52.037 -0.058 0.000 0.786 92 A CB -0.190 18.779 19.000 -0.052 0.000 0.804 92 A HN 0.652 nan 8.150 nan 0.000 0.479 93 K N -1.181 119.162 120.400 -0.094 0.000 2.179 93 K HA 0.536 4.780 4.320 -0.126 0.000 0.238 93 K C 0.781 177.346 176.600 -0.059 0.000 1.033 93 K CA 0.271 56.505 56.287 -0.088 0.000 0.926 93 K CB 0.229 32.649 32.500 -0.134 0.000 1.151 93 K HN 0.337 nan 8.250 nan 0.000 0.492 94 Q N 0.492 120.263 119.800 -0.048 0.000 2.514 94 Q HA 0.269 4.534 4.340 -0.126 0.000 0.169 94 Q C 1.649 177.639 176.000 -0.016 0.000 1.027 94 Q CA 0.722 56.511 55.803 -0.022 0.000 0.988 94 Q CB -1.034 27.696 28.738 -0.014 0.000 2.123 94 Q HN 0.725 nan 8.270 nan 0.000 0.480 95 E N -0.272 119.930 120.200 0.003 0.000 2.033 95 E HA -0.003 4.271 4.350 -0.126 0.000 0.189 95 E C 0.248 176.849 176.600 0.001 0.000 0.979 95 E CA 1.377 57.788 56.400 0.018 0.000 0.802 95 E CB -1.987 27.737 29.700 0.040 0.000 0.763 95 E HN 0.663 nan 8.360 nan 0.000 0.449 96 P HA -0.055 nan 4.420 nan 0.000 0.218 96 P C 0.769 178.054 177.300 -0.026 0.000 1.150 96 P CA 2.672 65.769 63.100 -0.006 0.000 0.841 96 P CB 0.199 31.896 31.700 -0.005 0.000 0.784 97 E N -1.318 118.855 120.200 -0.046 0.000 3.315 97 E HA 0.069 4.343 4.350 -0.126 0.000 0.153 97 E C 1.102 177.631 176.600 -0.118 0.000 0.934 97 E CA -0.319 56.040 56.400 -0.069 0.000 1.426 97 E CB -1.119 28.551 29.700 -0.049 0.000 1.048 97 E HN 0.204 nan 8.360 nan 0.000 0.422 98 R N 0.247 120.674 120.500 -0.122 0.000 2.285 98 R HA -0.050 4.214 4.340 -0.126 0.000 0.213 98 R C 1.178 177.294 176.300 -0.308 0.000 1.068 98 R CA 1.407 57.382 56.100 -0.209 0.000 1.004 98 R CB -0.130 30.099 30.300 -0.118 0.000 0.873 98 R HN 0.267 nan 8.270 nan 0.000 0.467 99 N N 1.142 119.751 118.700 -0.152 0.000 2.258 99 N HA -0.082 4.582 4.740 -0.126 0.000 0.183 99 N C 1.295 176.752 175.510 -0.088 0.000 1.029 99 N CA 0.829 53.840 53.050 -0.064 0.000 0.857 99 N CB 0.027 38.409 38.487 -0.175 0.000 1.008 99 N HN 0.090 nan 8.380 nan 0.000 0.433 100 E N 0.491 120.633 120.200 -0.097 0.000 2.233 100 E HA -0.188 4.086 4.350 -0.126 0.000 0.199 100 E C 2.026 178.599 176.600 -0.045 0.000 1.004 100 E CA 0.457 56.826 56.400 -0.052 0.000 0.819 100 E CB -0.981 28.705 29.700 -0.024 0.000 0.738 100 E HN 0.405 nan 8.360 nan 0.000 0.478 101 c N -0.065 118.458 118.600 -0.129 0.000 2.453 101 c HA -0.138 4.356 4.570 -0.126 0.000 0.277 101 c C 2.499 176.584 174.090 -0.009 0.000 1.262 101 c CA 0.307 56.558 56.329 -0.129 0.000 1.718 101 c CB -1.253 41.044 42.510 -0.356 0.000 2.031 101 c HN 0.273 nan 8.230 nan 0.000 0.480 102 F N 1.561 121.486 119.950 -0.042 0.000 2.051 102 F HA -0.054 4.396 4.527 -0.128 0.000 0.296 102 F C 2.254 178.126 175.800 0.121 0.000 1.122 102 F CA 1.733 59.701 58.000 -0.053 0.000 1.201 102 F CB -1.309 37.417 39.000 -0.458 0.000 0.978 102 F HN 0.156 nan 8.300 nan 0.000 0.472 103 L N -0.274 121.139 121.223 0.316 0.000 2.064 103 L HA -0.330 3.934 4.340 -0.126 0.000 0.216 103 L C 2.511 179.465 176.870 0.140 0.000 1.077 103 L CA 2.001 56.956 54.840 0.191 0.000 0.766 103 L CB -1.021 41.057 42.059 0.032 0.000 0.890 103 L HN 0.304 nan 8.230 nan 0.000 0.435 104 Q N -0.318 119.546 119.800 0.105 0.000 2.291 104 Q HA -0.215 4.050 4.340 -0.126 0.000 0.206 104 Q C 1.356 177.321 176.000 -0.059 0.000 0.976 104 Q CA 1.487 57.298 55.803 0.014 0.000 0.875 104 Q CB 0.070 28.786 28.738 -0.037 0.000 0.927 104 Q HN 0.615 nan 8.270 nan 0.000 0.450 105 H N -0.485 118.636 119.070 0.085 0.000 2.549 105 H HA 0.256 4.736 4.556 -0.126 0.000 0.279 105 H C -0.389 175.003 175.328 0.105 0.000 1.018 105 H CA -0.177 55.924 56.048 0.088 0.000 1.175 105 H CB 0.494 30.312 29.762 0.092 0.000 1.485 105 H HN 0.001 nan 8.280 nan 0.000 0.543 106 K N 1.383 121.896 120.400 0.188 0.000 2.448 106 K HA -0.018 4.226 4.320 -0.126 0.000 0.278 106 K C -0.337 176.342 176.600 0.132 0.000 1.009 106 K CA 0.091 56.462 56.287 0.140 0.000 0.995 106 K CB 0.516 33.061 32.500 0.075 0.000 0.917 106 K HN 0.154 nan 8.250 nan 0.000 0.481 107 D N 2.044 122.503 120.400 0.099 0.000 2.280 107 D HA 0.067 4.631 4.640 -0.126 0.000 0.236 107 D C -0.029 176.305 176.300 0.057 0.000 1.082 107 D CA -0.277 53.763 54.000 0.067 0.000 0.834 107 D CB 1.099 41.926 40.800 0.044 0.000 1.100 107 D HN 0.389 nan 8.370 nan 0.000 0.486 108 D N 2.495 122.922 120.400 0.045 0.000 2.363 108 D HA -0.052 4.512 4.640 -0.126 0.000 0.220 108 D C 0.091 176.368 176.300 -0.039 0.000 0.994 108 D CA 0.591 54.598 54.000 0.012 0.000 0.890 108 D CB 0.348 41.131 40.800 -0.030 0.000 0.906 108 D HN 0.464 nan 8.370 nan 0.000 0.530 109 N N 0.704 119.385 118.700 -0.032 0.000 2.711 109 N HA 0.155 4.820 4.740 -0.126 0.000 0.263 109 N C -2.823 172.666 175.510 -0.034 0.000 1.667 109 N CA -1.183 51.840 53.050 -0.046 0.000 0.785 109 N CB 1.299 39.764 38.487 -0.036 0.000 1.231 109 N HN -0.212 nan 8.380 nan 0.000 0.503 110 P HA 0.074 nan 4.420 nan 0.000 0.266 110 P C 0.157 177.444 177.300 -0.022 0.000 1.195 110 P CA 0.378 63.462 63.100 -0.026 0.000 0.768 110 P CB 0.438 32.112 31.700 -0.044 0.000 0.838 111 N N 3.065 121.762 118.700 -0.004 0.000 2.652 111 N HA 0.110 4.774 4.740 -0.126 0.000 0.259 111 N C 0.201 175.712 175.510 0.002 0.000 1.240 111 N CA -0.165 52.885 53.050 0.000 0.000 0.951 111 N CB -0.835 37.658 38.487 0.009 0.000 1.281 111 N HN 0.297 nan 8.380 nan 0.000 0.507 112 L N 0.463 121.680 121.223 -0.010 0.000 2.290 112 L HA 0.368 4.632 4.340 -0.126 0.000 0.284 112 L C -1.808 175.058 176.870 -0.005 0.000 1.078 112 L CA -1.671 53.164 54.840 -0.009 0.000 0.815 112 L CB 0.953 42.992 42.059 -0.034 0.000 1.162 112 L HN 0.234 nan 8.230 nan 0.000 0.435 113 P HA 0.060 nan 4.420 nan 0.000 0.267 113 P C 0.077 177.382 177.300 0.008 0.000 1.201 113 P CA -0.155 62.952 63.100 0.012 0.000 0.775 113 P CB 0.369 32.082 31.700 0.023 0.000 0.854 114 R N 0.615 121.122 120.500 0.012 0.000 2.697 114 R HA 0.376 4.640 4.340 -0.126 0.000 0.265 114 R C 0.324 176.635 176.300 0.018 0.000 1.009 114 R CA 0.643 56.752 56.100 0.014 0.000 1.099 114 R CB -1.280 29.032 30.300 0.020 0.000 0.965 114 R HN 0.614 nan 8.270 nan 0.000 0.428 115 L N 2.944 124.178 121.223 0.019 0.000 2.407 115 L HA 0.616 4.881 4.340 -0.126 0.000 0.261 115 L C 0.660 177.555 176.870 0.041 0.000 1.108 115 L CA -0.556 54.299 54.840 0.024 0.000 0.995 115 L CB 0.162 42.227 42.059 0.011 0.000 1.349 115 L HN 0.936 nan 8.230 nan 0.000 0.423 116 V N 3.492 123.433 119.914 0.044 0.000 2.924 116 V HA 0.633 4.678 4.120 -0.126 0.000 0.305 116 V C 0.727 176.861 176.094 0.067 0.000 1.073 116 V CA -0.411 61.921 62.300 0.052 0.000 1.098 116 V CB 1.467 33.318 31.823 0.047 0.000 1.000 116 V HN 1.053 nan 8.190 nan 0.000 0.484 117 R N 4.902 125.449 120.500 0.078 0.000 2.360 117 R HA 0.625 4.889 4.340 -0.126 0.000 0.318 117 R C -2.791 173.568 176.300 0.100 0.000 0.950 117 R CA -1.643 54.519 56.100 0.103 0.000 0.837 117 R CB 0.743 31.119 30.300 0.126 0.000 1.165 117 R HN 0.523 nan 8.270 nan 0.000 0.458 118 P HA -0.053 nan 4.420 nan 0.000 0.269 118 P C -0.336 177.023 177.300 0.099 0.000 1.211 118 P CA -0.103 63.055 63.100 0.096 0.000 0.781 118 P CB 0.502 32.264 31.700 0.104 0.000 0.877 119 E N 0.301 120.547 120.200 0.078 0.000 2.492 119 E HA -0.067 4.207 4.350 -0.126 0.000 0.266 119 E C 1.336 177.987 176.600 0.086 0.000 1.047 119 E CA 0.200 56.641 56.400 0.069 0.000 0.968 119 E CB 0.309 30.040 29.700 0.053 0.000 0.960 119 E HN 0.114 nan 8.360 nan 0.000 0.452 120 V N 2.356 122.315 119.914 0.074 0.000 2.688 120 V HA -0.238 3.806 4.120 -0.126 0.000 0.256 120 V C 1.515 177.659 176.094 0.082 0.000 1.084 120 V CA 1.688 64.039 62.300 0.084 0.000 1.103 120 V CB -0.364 31.484 31.823 0.042 0.000 0.688 120 V HN 0.501 nan 8.190 nan 0.000 0.480 121 D N -0.152 120.286 120.400 0.063 0.000 2.224 121 D HA -0.061 4.503 4.640 -0.126 0.000 0.205 121 D C 2.076 178.406 176.300 0.051 0.000 0.965 121 D CA 1.004 55.036 54.000 0.054 0.000 0.852 121 D CB 0.323 41.148 40.800 0.042 0.000 0.947 121 D HN 0.403 nan 8.370 nan 0.000 0.494 122 V N 0.832 120.782 119.914 0.059 0.000 2.500 122 V HA -0.122 3.922 4.120 -0.126 0.000 0.243 122 V C 2.513 178.626 176.094 0.031 0.000 1.039 122 V CA 0.780 63.110 62.300 0.050 0.000 1.053 122 V CB -0.288 31.575 31.823 0.067 0.000 0.695 122 V HN 0.105 nan 8.190 nan 0.000 0.463 123 M N -0.458 119.192 119.600 0.084 0.000 2.073 123 M HA -0.264 4.141 4.480 -0.126 0.000 0.258 123 M C 2.467 178.619 176.300 -0.246 0.000 1.070 123 M CA 2.155 57.492 55.300 0.063 0.000 1.103 123 M CB -0.954 31.850 32.600 0.340 0.000 1.321 123 M HN 0.392 nan 8.290 nan 0.000 0.405 124 c N 0.172 118.742 118.600 -0.050 0.000 2.413 124 c HA -0.152 4.342 4.570 -0.126 0.000 0.276 124 c C 2.954 176.956 174.090 -0.146 0.000 1.236 124 c CA 1.576 57.853 56.329 -0.085 0.000 1.735 124 c CB -1.125 41.418 42.510 0.054 0.000 2.031 124 c HN 0.593 nan 8.230 nan 0.000 0.474 125 T N 1.218 115.739 114.554 -0.055 0.000 2.595 125 T HA -0.194 4.081 4.350 -0.126 0.000 0.264 125 T C 2.111 176.733 174.700 -0.130 0.000 1.058 125 T CA 1.976 64.059 62.100 -0.029 0.000 1.166 125 T CB -0.654 68.212 68.868 -0.004 0.000 0.863 125 T HN 0.639 nan 8.240 nan 0.000 0.415 126 A N 0.932 123.638 122.820 -0.190 0.000 1.986 126 A HA -0.090 4.154 4.320 -0.126 0.000 0.220 126 A C 2.028 179.301 177.584 -0.519 0.000 1.171 126 A CA 1.675 53.572 52.037 -0.233 0.000 0.640 126 A CB -0.945 17.999 19.000 -0.094 0.000 0.811 126 A HN 0.514 nan 8.150 nan 0.000 0.451 127 F N 0.137 119.397 119.950 -1.149 0.000 2.084 127 F HA -0.134 4.318 4.527 -0.125 0.000 0.296 127 F C 2.364 177.836 175.800 -0.547 0.000 1.111 127 F CA 2.019 59.208 58.000 -1.353 0.000 1.224 127 F CB -0.542 37.516 39.000 -1.570 0.000 0.991 127 F HN 0.341 nan 8.300 nan 0.000 0.471 128 H N -0.222 118.507 119.070 -0.568 0.000 2.357 128 H HA -0.116 4.365 4.556 -0.125 0.000 0.301 128 H C 1.903 177.023 175.328 -0.347 0.000 1.082 128 H CA 1.718 57.465 56.048 -0.502 0.000 1.342 128 H CB -0.799 28.822 29.762 -0.235 0.000 1.389 128 H HN 0.388 nan 8.280 nan 0.000 0.511 129 D N 0.325 120.654 120.400 -0.120 0.000 2.087 129 D HA -0.141 4.424 4.640 -0.126 0.000 0.192 129 D C 0.558 176.798 176.300 -0.100 0.000 0.993 129 D CA 0.997 54.944 54.000 -0.089 0.000 0.828 129 D CB 0.042 40.806 40.800 -0.059 0.000 0.968 129 D HN 0.069 nan 8.370 nan 0.000 0.448 130 N N -0.153 118.481 118.700 -0.110 0.000 2.531 130 N HA 0.067 4.732 4.740 -0.126 0.000 0.268 130 N C -0.433 175.038 175.510 -0.065 0.000 1.023 130 N CA -0.173 52.844 53.050 -0.054 0.000 0.896 130 N CB 1.489 39.990 38.487 0.023 0.000 1.233 130 N HN 0.177 nan 8.380 nan 0.000 0.512 131 E N 1.861 121.996 120.200 -0.108 0.000 2.299 131 E HA -0.005 4.269 4.350 -0.126 0.000 0.193 131 E C 0.404 177.077 176.600 0.121 0.000 0.998 131 E CA 0.727 57.074 56.400 -0.087 0.000 0.851 131 E CB 0.506 30.075 29.700 -0.218 0.000 0.795 131 E HN 0.479 nan 8.360 nan 0.000 0.492 132 E N -0.238 120.022 120.200 0.101 0.000 2.140 132 E HA -0.035 4.239 4.350 -0.126 0.000 0.191 132 E C 1.926 178.635 176.600 0.182 0.000 0.973 132 E CA 0.975 57.455 56.400 0.134 0.000 0.829 132 E CB -0.066 29.689 29.700 0.092 0.000 0.781 132 E HN 0.152 nan 8.360 nan 0.000 0.466 133 T N 1.215 115.884 114.554 0.192 0.000 2.951 133 T HA -0.052 4.223 4.350 -0.126 0.000 0.268 133 T C 1.482 176.337 174.700 0.258 0.000 1.073 133 T CA 0.388 62.640 62.100 0.254 0.000 1.134 133 T CB -0.215 68.792 68.868 0.232 0.000 0.884 133 T HN 0.044 nan 8.240 nan 0.000 0.479 134 F N 1.905 121.906 119.950 0.086 0.000 2.060 134 F HA 0.087 4.541 4.527 -0.123 0.000 0.295 134 F C 1.891 177.758 175.800 0.111 0.000 1.120 134 F CA 1.008 59.049 58.000 0.069 0.000 1.205 134 F CB -0.498 38.551 39.000 0.082 0.000 0.986 134 F HN 0.024 nan 8.300 nan 0.000 0.470 135 L N -0.183 121.180 121.223 0.233 0.000 2.093 135 L HA -0.211 4.053 4.340 -0.126 0.000 0.208 135 L C 2.411 179.350 176.870 0.116 0.000 1.085 135 L CA 1.302 56.247 54.840 0.175 0.000 0.755 135 L CB -0.731 41.477 42.059 0.248 0.000 0.904 135 L HN 0.101 nan 8.230 nan 0.000 0.435 136 K N 0.416 120.895 120.400 0.131 0.000 2.063 136 K HA -0.246 3.999 4.320 -0.126 0.000 0.208 136 K C 2.183 178.787 176.600 0.006 0.000 1.048 136 K CA 1.517 57.895 56.287 0.152 0.000 0.928 136 K CB -0.064 32.622 32.500 0.310 0.000 0.713 136 K HN 0.123 nan 8.250 nan 0.000 0.442 137 K N 0.100 120.351 120.400 -0.248 0.000 2.026 137 K HA -0.226 4.018 4.320 -0.126 0.000 0.208 137 K C 2.084 178.535 176.600 -0.248 0.000 1.048 137 K CA 1.434 57.368 56.287 -0.589 0.000 0.929 137 K CB -0.301 31.837 32.500 -0.604 0.000 0.713 137 K HN 0.072 nan 8.250 nan 0.000 0.439 138 Y N 1.715 121.792 120.300 -0.371 0.000 1.979 138 Y HA -0.333 4.143 4.550 -0.123 0.000 0.262 138 Y C 1.709 177.409 175.900 -0.334 0.000 1.142 138 Y CA 2.128 59.957 58.100 -0.452 0.000 1.096 138 Y CB -0.790 37.281 38.460 -0.648 0.000 0.958 138 Y HN 0.023 nan 8.280 nan 0.000 0.484 139 L N -0.952 120.071 121.223 -0.334 0.000 2.064 139 L HA -0.336 3.928 4.340 -0.126 0.000 0.216 139 L C 2.459 179.147 176.870 -0.304 0.000 1.077 139 L CA 2.133 56.742 54.840 -0.386 0.000 0.766 139 L CB -1.263 40.710 42.059 -0.144 0.000 0.890 139 L HN 0.448 nan 8.230 nan 0.000 0.435 140 Y N 1.216 121.353 120.300 -0.272 0.000 2.128 140 Y HA -0.262 4.216 4.550 -0.120 0.000 0.284 140 Y C 2.644 178.408 175.900 -0.227 0.000 1.154 140 Y CA 1.809 59.789 58.100 -0.200 0.000 1.149 140 Y CB -0.177 38.191 38.460 -0.153 0.000 0.976 140 Y HN 0.149 nan 8.280 nan 0.000 0.505 141 E N -0.045 119.903 120.200 -0.419 0.000 2.150 141 E HA -0.142 4.132 4.350 -0.126 0.000 0.193 141 E C 2.268 178.633 176.600 -0.393 0.000 0.985 141 E CA 1.119 57.251 56.400 -0.447 0.000 0.814 141 E CB -0.085 29.459 29.700 -0.259 0.000 0.752 141 E HN 0.507 nan 8.360 nan 0.000 0.466 142 I N 0.845 121.126 120.570 -0.482 0.000 2.277 142 I HA -0.088 4.006 4.170 -0.126 0.000 0.243 142 I C 2.409 178.359 176.117 -0.278 0.000 1.094 142 I CA 0.844 61.892 61.300 -0.420 0.000 1.393 142 I CB -1.432 36.075 38.000 -0.822 0.000 1.078 142 I HN -0.076 nan 8.210 nan 0.000 0.417 143 A N 1.751 124.342 122.820 -0.383 0.000 2.019 143 A HA -0.197 4.047 4.320 -0.126 0.000 0.219 143 A C 2.344 179.803 177.584 -0.208 0.000 1.164 143 A CA 1.543 53.418 52.037 -0.271 0.000 0.644 143 A CB -0.630 18.202 19.000 -0.279 0.000 0.805 143 A HN 0.573 nan 8.150 nan 0.000 0.449 144 R N -1.276 119.048 120.500 -0.293 0.000 2.240 144 R HA 0.130 4.394 4.340 -0.126 0.000 0.203 144 R C 1.475 177.656 176.300 -0.198 0.000 1.011 144 R CA 0.803 56.736 56.100 -0.278 0.000 1.007 144 R CB -0.129 29.885 30.300 -0.476 0.000 0.911 144 R HN 0.342 nan 8.270 nan 0.000 0.468 145 R N 0.007 120.401 120.500 -0.178 0.000 2.397 145 R HA 0.179 4.443 4.340 -0.126 0.000 0.241 145 R C -0.229 175.828 176.300 -0.406 0.000 0.914 145 R CA 0.041 56.006 56.100 -0.225 0.000 1.071 145 R CB 0.615 30.799 30.300 -0.194 0.000 1.116 145 R HN 0.343 nan 8.270 nan 0.000 0.524 146 H N 0.424 119.479 119.070 -0.025 0.000 2.600 146 H HA 0.128 4.590 4.556 -0.157 0.000 0.224 146 H C -2.042 173.338 175.328 0.087 0.000 1.413 146 H CA -1.405 54.694 56.048 0.086 0.000 1.401 146 H CB 1.466 31.368 29.762 0.234 0.000 1.772 146 H HN -0.023 nan 8.280 nan 0.000 0.528 147 P HA -0.184 nan 4.420 nan 0.000 0.225 147 P C 0.328 177.482 177.300 -0.243 0.000 1.141 147 P CA 1.364 64.416 63.100 -0.080 0.000 0.774 147 P CB 0.094 31.745 31.700 -0.082 0.000 0.760 148 Y N -3.260 117.072 120.300 0.054 0.000 2.500 148 Y HA 0.289 4.773 4.550 -0.111 0.000 0.246 148 Y C 1.029 177.009 175.900 0.134 0.000 1.146 148 Y CA -1.143 56.991 58.100 0.056 0.000 1.230 148 Y CB -0.437 38.036 38.460 0.021 0.000 1.214 148 Y HN -0.247 nan 8.280 nan 0.000 0.526 149 F N 1.503 121.528 119.950 0.126 0.000 2.604 149 F HA -0.163 4.334 4.527 -0.050 0.000 0.390 149 F C 0.372 176.247 175.800 0.125 0.000 1.053 149 F CA -0.496 57.549 58.000 0.075 0.000 1.256 149 F CB 0.018 38.992 39.000 -0.043 0.000 0.996 149 F HN 0.083 nan 8.300 nan 0.000 0.564 150 Y N 7.338 127.813 120.300 0.293 0.000 2.784 150 Y HA 0.216 4.695 4.550 -0.118 0.000 0.355 150 Y C 1.076 177.197 175.900 0.369 0.000 1.198 150 Y CA -0.318 57.951 58.100 0.282 0.000 1.588 150 Y CB -0.009 38.590 38.460 0.230 0.000 1.220 150 Y HN 0.736 nan 8.280 nan 0.000 0.517 151 A N 7.472 130.326 122.820 0.056 0.000 1.859 151 A HA -0.203 4.041 4.320 -0.126 0.000 0.218 151 A C -0.165 177.339 177.584 -0.133 0.000 1.209 151 A CA 1.896 53.888 52.037 -0.074 0.000 0.639 151 A CB -1.793 17.123 19.000 -0.139 0.000 0.835 151 A HN 0.655 nan 8.150 nan 0.000 0.450 152 P HA -0.180 nan 4.420 nan 0.000 0.217 152 P C 1.277 178.565 177.300 -0.019 0.000 1.148 152 P CA 1.521 64.465 63.100 -0.260 0.000 0.834 152 P CB -0.029 31.372 31.700 -0.498 0.000 0.783 153 E N -1.266 118.988 120.200 0.091 0.000 2.230 153 E HA -0.056 4.219 4.350 -0.126 0.000 0.192 153 E C 1.766 178.811 176.600 0.742 0.000 0.987 153 E CA 0.471 57.196 56.400 0.541 0.000 0.841 153 E CB -0.632 29.583 29.700 0.858 0.000 0.783 153 E HN 0.180 nan 8.360 nan 0.000 0.481 154 L N 0.754 122.239 121.223 0.438 0.000 2.275 154 L HA -0.063 4.201 4.340 -0.126 0.000 0.215 154 L C 1.929 178.906 176.870 0.177 0.000 1.119 154 L CA 1.077 55.991 54.840 0.124 0.000 0.790 154 L CB -0.251 41.561 42.059 -0.412 0.000 0.919 154 L HN 0.050 nan 8.230 nan 0.000 0.443 155 L N -2.181 119.155 121.223 0.189 0.000 2.240 155 L HA -0.121 4.143 4.340 -0.126 0.000 0.211 155 L C 2.236 179.234 176.870 0.214 0.000 1.106 155 L CA 0.659 55.590 54.840 0.152 0.000 0.793 155 L CB -0.524 41.596 42.059 0.103 0.000 0.927 155 L HN 0.287 nan 8.230 nan 0.000 0.446 156 F N 0.454 120.490 119.950 0.143 0.000 2.163 156 F HA -0.125 4.323 4.527 -0.132 0.000 0.297 156 F C 2.048 177.841 175.800 -0.012 0.000 1.094 156 F CA 1.208 59.221 58.000 0.023 0.000 1.290 156 F CB -0.251 38.709 39.000 -0.066 0.000 1.017 156 F HN -0.121 nan 8.300 nan 0.000 0.483 157 F N 0.464 120.432 119.950 0.030 0.000 2.234 157 F HA -0.048 4.408 4.527 -0.118 0.000 0.299 157 F C 2.531 178.350 175.800 0.032 0.000 1.087 157 F CA 1.085 59.083 58.000 -0.003 0.000 1.340 157 F CB -1.263 37.844 39.000 0.179 0.000 1.031 157 F HN 0.077 nan 8.300 nan 0.000 0.500 158 A N 0.579 123.554 122.820 0.259 0.000 1.873 158 A HA -0.157 4.087 4.320 -0.126 0.000 0.215 158 A C 2.390 180.026 177.584 0.087 0.000 1.186 158 A CA 2.346 54.518 52.037 0.224 0.000 0.616 158 A CB -1.240 17.882 19.000 0.203 0.000 0.823 158 A HN 0.283 nan 8.150 nan 0.000 0.442 159 K N 0.198 120.588 120.400 -0.017 0.000 2.152 159 K HA -0.157 4.088 4.320 -0.126 0.000 0.206 159 K C 2.116 178.630 176.600 -0.143 0.000 1.048 159 K CA 1.808 58.052 56.287 -0.072 0.000 0.933 159 K CB -0.646 31.787 32.500 -0.111 0.000 0.721 159 K HN 0.682 nan 8.250 nan 0.000 0.447 160 R N -2.168 118.174 120.500 -0.263 0.000 2.100 160 R HA 0.054 4.318 4.340 -0.126 0.000 0.220 160 R C 2.290 178.511 176.300 -0.132 0.000 1.091 160 R CA 0.898 56.845 56.100 -0.255 0.000 0.986 160 R CB -0.332 29.725 30.300 -0.406 0.000 0.888 160 R HN 0.601 nan 8.270 nan 0.000 0.444 161 Y N 2.386 122.558 120.300 -0.213 0.000 2.165 161 Y HA -0.252 4.224 4.550 -0.123 0.000 0.286 161 Y C 2.324 178.142 175.900 -0.138 0.000 1.155 161 Y CA 1.587 59.525 58.100 -0.269 0.000 1.164 161 Y CB -0.028 38.056 38.460 -0.626 0.000 0.978 161 Y HN -0.146 nan 8.280 nan 0.000 0.513 162 K N -0.210 120.161 120.400 -0.049 0.000 2.025 162 K HA -0.125 4.120 4.320 -0.126 0.000 0.207 162 K C 2.279 178.821 176.600 -0.097 0.000 1.049 162 K CA 1.092 57.359 56.287 -0.034 0.000 0.933 162 K CB -0.419 32.157 32.500 0.127 0.000 0.714 162 K HN 0.338 nan 8.250 nan 0.000 0.438 163 A N 1.065 123.837 122.820 -0.081 0.000 2.024 163 A HA -0.151 4.094 4.320 -0.126 0.000 0.220 163 A C 2.224 179.711 177.584 -0.162 0.000 1.164 163 A CA 1.879 53.865 52.037 -0.084 0.000 0.643 163 A CB -0.663 18.286 19.000 -0.086 0.000 0.806 163 A HN 0.497 nan 8.150 nan 0.000 0.451 164 A N -0.899 121.759 122.820 -0.270 0.000 1.858 164 A HA 0.013 4.257 4.320 -0.126 0.000 0.216 164 A C 1.946 179.223 177.584 -0.510 0.000 1.190 164 A CA 1.576 53.370 52.037 -0.406 0.000 0.617 164 A CB -0.721 17.943 19.000 -0.560 0.000 0.827 164 A HN 0.468 nan 8.150 nan 0.000 0.443 165 F N 0.286 119.891 119.950 -0.575 0.000 2.163 165 F HA -0.083 4.367 4.527 -0.128 0.000 0.297 165 F C 2.779 178.316 175.800 -0.439 0.000 1.094 165 F CA 1.712 59.279 58.000 -0.723 0.000 1.290 165 F CB -1.031 37.050 39.000 -1.532 0.000 1.017 165 F HN 0.106 nan 8.300 nan 0.000 0.483 166 T N -0.491 114.001 114.554 -0.103 0.000 2.721 166 T HA -0.246 4.028 4.350 -0.126 0.000 0.268 166 T C 1.789 176.558 174.700 0.115 0.000 1.038 166 T CA 1.977 64.193 62.100 0.194 0.000 1.145 166 T CB -0.240 68.733 68.868 0.174 0.000 0.858 166 T HN 0.361 nan 8.240 nan 0.000 0.459 167 E N -0.759 119.441 120.200 -0.001 0.000 2.110 167 E HA 0.022 4.296 4.350 -0.126 0.000 0.193 167 E C 2.541 179.125 176.600 -0.027 0.000 0.950 167 E CA 0.434 56.829 56.400 -0.009 0.000 0.840 167 E CB -0.056 29.618 29.700 -0.044 0.000 0.809 167 E HN 0.360 nan 8.360 nan 0.000 0.465 168 c N 0.852 119.391 118.600 -0.101 0.000 2.403 168 c HA -0.185 4.309 4.570 -0.126 0.000 0.277 168 c C 2.735 176.800 174.090 -0.041 0.000 1.248 168 c CA 0.496 56.758 56.329 -0.111 0.000 1.762 168 c CB -0.818 41.553 42.510 -0.232 0.000 2.014 168 c HN 0.602 nan 8.230 nan 0.000 0.486 169 c N -0.424 118.181 118.600 0.008 0.000 2.449 169 c HA -0.090 4.404 4.570 -0.126 0.000 0.283 169 c C 2.328 176.501 174.090 0.138 0.000 1.453 169 c CA 0.777 57.166 56.329 0.100 0.000 1.779 169 c CB -1.650 40.960 42.510 0.166 0.000 1.779 169 c HN 0.655 nan 8.230 nan 0.000 0.546 170 Q N -0.082 119.780 119.800 0.103 0.000 2.282 170 Q HA 0.292 4.556 4.340 -0.126 0.000 0.206 170 Q C 1.118 177.141 176.000 0.038 0.000 0.878 170 Q CA -0.218 55.633 55.803 0.080 0.000 0.944 170 Q CB 0.322 29.107 28.738 0.079 0.000 1.100 170 Q HN 0.717 nan 8.270 nan 0.000 0.509 171 A N -0.044 122.789 122.820 0.022 0.000 2.296 171 A HA 0.519 4.763 4.320 -0.126 0.000 0.276 171 A C 0.960 178.549 177.584 0.007 0.000 1.356 171 A CA 0.536 52.576 52.037 0.004 0.000 0.825 171 A CB 0.028 19.019 19.000 -0.014 0.000 1.308 171 A HN 0.301 nan 8.150 nan 0.000 0.515 172 A N -1.970 120.850 122.820 0.000 0.000 2.035 172 A HA 0.316 4.560 4.320 -0.126 0.000 0.208 172 A C 0.415 177.999 177.584 0.000 0.000 1.206 172 A CA 1.168 53.206 52.037 0.002 0.000 0.773 172 A CB 0.126 19.126 19.000 -0.001 0.000 0.878 172 A HN 0.621 nan 8.150 nan 0.000 0.469 173 D N -0.595 119.801 120.400 -0.006 0.000 2.375 173 D HA 0.416 4.980 4.640 -0.126 0.000 0.259 173 D C 0.476 176.765 176.300 -0.018 0.000 1.235 173 D CA -0.212 53.782 54.000 -0.009 0.000 0.924 173 D CB 0.939 41.732 40.800 -0.011 0.000 1.143 173 D HN 0.048 nan 8.370 nan 0.000 0.529 174 K N 1.258 121.650 120.400 -0.013 0.000 2.026 174 K HA -0.052 4.192 4.320 -0.126 0.000 0.208 174 K C 1.977 178.549 176.600 -0.047 0.000 1.048 174 K CA 1.449 57.719 56.287 -0.028 0.000 0.929 174 K CB 0.021 32.518 32.500 -0.004 0.000 0.713 174 K HN 0.345 nan 8.250 nan 0.000 0.439 175 A N 1.131 123.935 122.820 -0.027 0.000 1.978 175 A HA -0.146 4.098 4.320 -0.126 0.000 0.220 175 A C 2.323 179.883 177.584 -0.039 0.000 1.170 175 A CA 1.995 54.015 52.037 -0.028 0.000 0.636 175 A CB -0.809 18.186 19.000 -0.009 0.000 0.810 175 A HN 0.338 nan 8.150 nan 0.000 0.448 176 A N -1.569 121.229 122.820 -0.036 0.000 1.930 176 A HA -0.077 4.168 4.320 -0.126 0.000 0.215 176 A C 2.343 179.895 177.584 -0.054 0.000 1.176 176 A CA 1.425 53.440 52.037 -0.037 0.000 0.632 176 A CB -1.144 17.840 19.000 -0.026 0.000 0.819 176 A HN 0.798 nan 8.150 nan 0.000 0.445 177 c N -1.322 117.238 118.600 -0.068 0.000 2.486 177 c HA 0.159 4.653 4.570 -0.126 0.000 0.279 177 c C 2.332 176.338 174.090 -0.139 0.000 1.302 177 c CA 0.971 57.246 56.329 -0.090 0.000 1.720 177 c CB -1.258 41.200 42.510 -0.086 0.000 2.030 177 c HN 0.535 nan 8.230 nan 0.000 0.490 178 L N 0.738 121.857 121.223 -0.173 0.000 1.947 178 L HA 0.076 4.340 4.340 -0.126 0.000 0.211 178 L C 2.384 179.137 176.870 -0.196 0.000 1.098 178 L CA 1.690 56.367 54.840 -0.271 0.000 0.767 178 L CB -1.023 40.840 42.059 -0.326 0.000 0.891 178 L HN 0.287 nan 8.230 nan 0.000 0.436 179 L N -0.481 120.664 121.223 -0.131 0.000 2.244 179 L HA -0.364 3.900 4.340 -0.126 0.000 0.239 179 L C 0.181 177.013 176.870 -0.063 0.000 1.131 179 L CA 3.147 57.943 54.840 -0.073 0.000 0.854 179 L CB -2.870 39.165 42.059 -0.041 0.000 0.951 179 L HN 0.297 nan 8.230 nan 0.000 0.449 180 P HA -0.194 nan 4.420 nan 0.000 0.211 180 P C 1.561 178.832 177.300 -0.049 0.000 1.181 180 P CA 1.645 64.719 63.100 -0.044 0.000 0.929 180 P CB -0.118 31.555 31.700 -0.045 0.000 0.789 181 K N -0.728 119.621 120.400 -0.085 0.000 2.173 181 K HA -0.156 4.088 4.320 -0.126 0.000 0.207 181 K C 2.081 178.635 176.600 -0.076 0.000 1.046 181 K CA 1.208 57.438 56.287 -0.095 0.000 0.929 181 K CB -0.738 31.666 32.500 -0.160 0.000 0.720 181 K HN 0.195 nan 8.250 nan 0.000 0.453 182 L N 0.651 121.818 121.223 -0.094 0.000 2.131 182 L HA -0.156 4.108 4.340 -0.126 0.000 0.206 182 L C 1.987 178.885 176.870 0.046 0.000 1.087 182 L CA 0.925 55.749 54.840 -0.027 0.000 0.767 182 L CB -0.354 41.673 42.059 -0.052 0.000 0.917 182 L HN 0.192 nan 8.230 nan 0.000 0.441 183 D N 0.130 120.546 120.400 0.026 0.000 2.084 183 D HA -0.237 4.328 4.640 -0.126 0.000 0.196 183 D C 1.933 178.273 176.300 0.066 0.000 0.985 183 D CA 1.297 55.325 54.000 0.048 0.000 0.826 183 D CB 0.038 40.855 40.800 0.030 0.000 0.978 183 D HN 0.336 nan 8.370 nan 0.000 0.456 184 E N 0.519 120.750 120.200 0.051 0.000 2.114 184 E HA -0.190 4.084 4.350 -0.126 0.000 0.199 184 E C 2.334 179.004 176.600 0.117 0.000 1.008 184 E CA 0.802 57.243 56.400 0.068 0.000 0.810 184 E CB -0.090 29.635 29.700 0.041 0.000 0.739 184 E HN 0.235 nan 8.360 nan 0.000 0.456 185 L N 0.056 121.359 121.223 0.132 0.000 2.109 185 L HA -0.088 4.176 4.340 -0.126 0.000 0.207 185 L C 2.891 179.905 176.870 0.240 0.000 1.086 185 L CA 0.945 55.921 54.840 0.228 0.000 0.760 185 L CB -0.415 41.789 42.059 0.241 0.000 0.910 185 L HN 0.172 nan 8.230 nan 0.000 0.437 186 R N 0.374 120.978 120.500 0.173 0.000 2.091 186 R HA -0.188 4.076 4.340 -0.126 0.000 0.238 186 R C 1.752 178.125 176.300 0.122 0.000 1.136 186 R CA 1.968 58.152 56.100 0.140 0.000 0.959 186 R CB -0.092 30.276 30.300 0.114 0.000 0.856 186 R HN 0.341 nan 8.270 nan 0.000 0.437 187 D N 0.207 120.682 120.400 0.124 0.000 2.075 187 D HA -0.186 4.378 4.640 -0.126 0.000 0.196 187 D C 1.698 178.082 176.300 0.141 0.000 0.985 187 D CA 1.262 55.330 54.000 0.114 0.000 0.834 187 D CB -0.430 40.429 40.800 0.098 0.000 0.987 187 D HN 0.373 nan 8.370 nan 0.000 0.452 188 E N 0.405 120.726 120.200 0.201 0.000 2.171 188 E HA -0.165 4.109 4.350 -0.126 0.000 0.197 188 E C 2.016 178.822 176.600 0.344 0.000 0.997 188 E CA 1.328 57.904 56.400 0.293 0.000 0.810 188 E CB -0.219 29.700 29.700 0.366 0.000 0.738 188 E HN 0.272 nan 8.360 nan 0.000 0.467 189 G N 0.105 109.054 108.800 0.249 0.000 2.402 189 G HA2 -0.257 3.627 3.960 -0.126 0.000 0.216 189 G HA3 -0.257 3.627 3.960 -0.126 0.000 0.216 189 G C 1.761 176.533 174.900 -0.213 0.000 1.162 189 G CA 0.742 45.790 45.100 -0.087 0.000 0.777 189 G HN 0.104 nan 8.290 nan 0.000 0.539 190 K N 0.814 121.167 120.400 -0.078 0.000 2.025 190 K HA 0.174 4.418 4.320 -0.126 0.000 0.207 190 K C 3.091 179.659 176.600 -0.053 0.000 1.049 190 K CA 1.191 57.442 56.287 -0.059 0.000 0.933 190 K CB -0.999 31.533 32.500 0.053 0.000 0.714 190 K HN 0.464 nan 8.250 nan 0.000 0.438 191 A N 0.813 123.644 122.820 0.018 0.000 1.865 191 A HA -0.209 4.035 4.320 -0.126 0.000 0.217 191 A C 2.375 179.952 177.584 -0.010 0.000 1.191 191 A CA 2.345 54.414 52.037 0.053 0.000 0.623 191 A CB -1.141 17.928 19.000 0.114 0.000 0.826 191 A HN 0.443 nan 8.150 nan 0.000 0.444 192 S N -0.858 114.824 115.700 -0.030 0.000 2.399 192 S HA -0.146 4.248 4.470 -0.126 0.000 0.231 192 S C 2.284 176.674 174.600 -0.350 0.000 1.022 192 S CA 1.949 60.095 58.200 -0.090 0.000 0.983 192 S CB -0.440 62.807 63.200 0.078 0.000 0.803 192 S HN 0.645 nan 8.310 nan 0.000 0.480 193 S N 0.409 115.785 115.700 -0.540 0.000 2.357 193 S HA 0.102 4.496 4.470 -0.126 0.000 0.221 193 S C 2.095 176.570 174.600 -0.209 0.000 1.031 193 S CA 1.236 59.108 58.200 -0.547 0.000 0.982 193 S CB -0.742 62.158 63.200 -0.500 0.000 0.853 193 S HN 0.687 nan 8.310 nan 0.000 0.458 194 A N 1.396 124.136 122.820 -0.132 0.000 1.855 194 A HA -0.048 4.196 4.320 -0.126 0.000 0.215 194 A C 2.115 179.622 177.584 -0.128 0.000 1.191 194 A CA 1.840 53.816 52.037 -0.102 0.000 0.613 194 A CB -0.835 18.117 19.000 -0.079 0.000 0.829 194 A HN 0.601 nan 8.150 nan 0.000 0.442 195 K N -1.067 119.265 120.400 -0.114 0.000 2.127 195 K HA -0.289 3.955 4.320 -0.126 0.000 0.208 195 K C 2.272 178.772 176.600 -0.167 0.000 1.047 195 K CA 2.020 58.236 56.287 -0.118 0.000 0.927 195 K CB -0.079 32.385 32.500 -0.059 0.000 0.716 195 K HN 0.514 nan 8.250 nan 0.000 0.450 196 Q N 0.235 119.941 119.800 -0.156 0.000 2.163 196 Q HA -0.071 4.193 4.340 -0.126 0.000 0.198 196 Q C 1.803 177.740 176.000 -0.104 0.000 0.954 196 Q CA 1.194 56.916 55.803 -0.135 0.000 0.851 196 Q CB -0.030 28.660 28.738 -0.080 0.000 0.928 196 Q HN 0.081 nan 8.270 nan 0.000 0.459 197 R N -0.219 120.214 120.500 -0.111 0.000 2.159 197 R HA -0.091 4.174 4.340 -0.126 0.000 0.237 197 R C 1.761 177.951 176.300 -0.183 0.000 1.131 197 R CA 0.995 57.000 56.100 -0.158 0.000 0.982 197 R CB -0.673 29.517 30.300 -0.183 0.000 0.868 197 R HN 0.404 nan 8.270 nan 0.000 0.453 198 L N 0.358 121.470 121.223 -0.186 0.000 2.109 198 L HA 0.002 4.266 4.340 -0.126 0.000 0.207 198 L C 1.634 178.382 176.870 -0.204 0.000 1.086 198 L CA 1.840 56.556 54.840 -0.206 0.000 0.760 198 L CB -0.404 41.493 42.059 -0.269 0.000 0.910 198 L HN 0.063 nan 8.230 nan 0.000 0.437 199 K N -1.439 118.830 120.400 -0.219 0.000 2.057 199 K HA -0.149 4.095 4.320 -0.126 0.000 0.207 199 K C 2.129 178.685 176.600 -0.073 0.000 1.049 199 K CA 1.757 57.951 56.287 -0.155 0.000 0.931 199 K CB -0.358 31.994 32.500 -0.247 0.000 0.714 199 K HN 0.419 nan 8.250 nan 0.000 0.440 200 c N 0.105 118.676 118.600 -0.047 0.000 2.435 200 c HA 0.011 4.505 4.570 -0.126 0.000 0.279 200 c C 2.740 176.827 174.090 -0.005 0.000 1.321 200 c CA 0.598 56.941 56.329 0.023 0.000 1.752 200 c CB -0.755 41.862 42.510 0.179 0.000 1.959 200 c HN 0.534 nan 8.230 nan 0.000 0.500 201 A N 0.476 123.261 122.820 -0.058 0.000 1.872 201 A HA -0.097 4.147 4.320 -0.126 0.000 0.214 201 A C 2.246 179.884 177.584 0.089 0.000 1.187 201 A CA 2.073 54.091 52.037 -0.031 0.000 0.614 201 A CB -0.802 18.168 19.000 -0.051 0.000 0.826 201 A HN 0.515 nan 8.150 nan 0.000 0.442 202 S N 0.270 116.046 115.700 0.127 0.000 2.378 202 S HA -0.205 4.190 4.470 -0.126 0.000 0.221 202 S C 1.880 176.626 174.600 0.244 0.000 1.037 202 S CA 1.740 60.098 58.200 0.264 0.000 1.069 202 S CB -0.733 62.548 63.200 0.135 0.000 1.006 202 S HN 0.489 nan 8.310 nan 0.000 0.423 203 L N 1.263 122.567 121.223 0.135 0.000 1.997 203 L HA -0.281 3.983 4.340 -0.126 0.000 0.216 203 L C 2.869 179.776 176.870 0.062 0.000 1.074 203 L CA 1.704 56.587 54.840 0.070 0.000 0.763 203 L CB -0.683 41.336 42.059 -0.067 0.000 0.890 203 L HN 0.403 nan 8.230 nan 0.000 0.434 204 Q N -0.757 119.067 119.800 0.040 0.000 2.079 204 Q HA -0.169 4.095 4.340 -0.126 0.000 0.200 204 Q C 2.362 178.332 176.000 -0.049 0.000 0.974 204 Q CA 1.678 57.491 55.803 0.016 0.000 0.840 204 Q CB 0.052 28.807 28.738 0.029 0.000 0.898 204 Q HN 0.282 nan 8.270 nan 0.000 0.430 205 K N -1.025 119.301 120.400 -0.124 0.000 2.308 205 K HA 0.112 4.356 4.320 -0.126 0.000 0.197 205 K C 1.185 177.470 176.600 -0.525 0.000 1.049 205 K CA 0.386 56.449 56.287 -0.373 0.000 0.991 205 K CB 0.265 32.408 32.500 -0.594 0.000 0.836 205 K HN 0.222 nan 8.250 nan 0.000 0.500 206 F N 0.135 120.096 119.950 0.018 0.000 2.706 206 F HA 0.465 4.909 4.527 -0.139 0.000 0.308 206 F C 1.214 177.042 175.800 0.046 0.000 1.095 206 F CA 0.236 58.253 58.000 0.029 0.000 1.244 206 F CB 0.862 39.879 39.000 0.028 0.000 1.063 206 F HN 0.299 nan 8.300 nan 0.000 0.582 207 G N 1.359 110.262 108.800 0.172 0.000 2.663 207 G HA2 -0.210 3.675 3.960 -0.126 0.000 0.686 207 G HA3 -0.210 3.675 3.960 -0.126 0.000 0.686 207 G C 0.505 175.507 174.900 0.170 0.000 1.288 207 G CA -0.166 45.017 45.100 0.138 0.000 0.836 207 G HN 0.408 nan 8.290 nan 0.000 0.584 208 E N -0.607 119.679 120.200 0.143 0.000 2.285 208 E HA 0.008 4.282 4.350 -0.126 0.000 0.194 208 E C 2.287 179.022 176.600 0.226 0.000 0.997 208 E CA 1.072 57.582 56.400 0.183 0.000 0.845 208 E CB -0.009 29.767 29.700 0.126 0.000 0.782 208 E HN 0.571 nan 8.360 nan 0.000 0.491 209 R N 0.607 121.211 120.500 0.174 0.000 2.120 209 R HA 0.017 4.281 4.340 -0.126 0.000 0.234 209 R C 2.209 178.610 176.300 0.169 0.000 1.123 209 R CA 1.364 57.561 56.100 0.161 0.000 0.975 209 R CB -1.116 29.262 30.300 0.131 0.000 0.866 209 R HN 0.517 nan 8.270 nan 0.000 0.446 210 A N -0.827 122.104 122.820 0.185 0.000 1.929 210 A HA 0.053 4.297 4.320 -0.126 0.000 0.216 210 A C 2.036 179.730 177.584 0.184 0.000 1.176 210 A CA 1.321 53.452 52.037 0.156 0.000 0.628 210 A CB -0.677 18.414 19.000 0.153 0.000 0.816 210 A HN 0.626 nan 8.150 nan 0.000 0.444 211 F N 0.785 120.798 119.950 0.106 0.000 2.146 211 F HA -0.081 4.360 4.527 -0.144 0.000 0.298 211 F C 2.108 178.013 175.800 0.175 0.000 1.096 211 F CA 1.921 59.989 58.000 0.113 0.000 1.275 211 F CB -0.110 38.934 39.000 0.075 0.000 1.008 211 F HN 0.092 nan 8.300 nan 0.000 0.480 212 K N 0.304 120.847 120.400 0.238 0.000 2.009 212 K HA -0.177 4.067 4.320 -0.126 0.000 0.210 212 K C 2.340 178.971 176.600 0.052 0.000 1.049 212 K CA 1.402 57.777 56.287 0.146 0.000 0.929 212 K CB -0.695 31.915 32.500 0.184 0.000 0.714 212 K HN 0.340 nan 8.250 nan 0.000 0.440 213 A N 0.710 123.579 122.820 0.083 0.000 1.917 213 A HA -0.221 4.023 4.320 -0.126 0.000 0.219 213 A C 1.949 179.533 177.584 -0.001 0.000 1.182 213 A CA 1.579 53.651 52.037 0.058 0.000 0.633 213 A CB -0.969 18.076 19.000 0.075 0.000 0.819 213 A HN 0.602 nan 8.150 nan 0.000 0.448 214 W N 0.384 121.573 121.300 -0.185 0.000 2.355 214 W HA -0.096 4.515 4.660 -0.082 0.000 0.309 214 W C 2.552 178.900 176.519 -0.284 0.000 1.206 214 W CA 2.237 59.433 57.345 -0.248 0.000 1.284 214 W CB -0.241 29.026 29.460 -0.322 0.000 1.145 214 W HN 0.380 nan 8.180 nan 0.000 0.502 215 A N -0.199 122.504 122.820 -0.194 0.000 1.845 215 A HA -0.218 4.026 4.320 -0.126 0.000 0.215 215 A C 2.046 179.500 177.584 -0.217 0.000 1.195 215 A CA 2.654 54.542 52.037 -0.248 0.000 0.616 215 A CB -1.402 17.481 19.000 -0.194 0.000 0.832 215 A HN 0.147 nan 8.150 nan 0.000 0.443 216 V N 0.047 119.900 119.914 -0.101 0.000 2.250 216 V HA -0.380 3.665 4.120 -0.126 0.000 0.253 216 V C 3.055 179.103 176.094 -0.075 0.000 1.065 216 V CA 2.512 64.802 62.300 -0.016 0.000 1.039 216 V CB -1.437 30.434 31.823 0.079 0.000 0.647 216 V HN 0.668 nan 8.190 nan 0.000 0.446 217 A N -0.248 122.458 122.820 -0.189 0.000 1.902 217 A HA -0.255 3.989 4.320 -0.126 0.000 0.217 217 A C 2.291 179.656 177.584 -0.365 0.000 1.181 217 A CA 2.187 54.067 52.037 -0.261 0.000 0.623 217 A CB -0.532 18.274 19.000 -0.323 0.000 0.818 217 A HN 0.478 nan 8.150 nan 0.000 0.443 218 R N 0.195 120.359 120.500 -0.561 0.000 2.075 218 R HA 0.012 4.276 4.340 -0.126 0.000 0.232 218 R C 1.911 177.957 176.300 -0.423 0.000 1.126 218 R CA 1.617 57.356 56.100 -0.602 0.000 0.963 218 R CB -0.704 29.048 30.300 -0.913 0.000 0.858 218 R HN 0.533 nan 8.270 nan 0.000 0.435 219 L N -0.489 120.538 121.223 -0.326 0.000 2.056 219 L HA -0.064 4.201 4.340 -0.126 0.000 0.207 219 L C 2.169 178.920 176.870 -0.199 0.000 1.078 219 L CA 1.491 56.158 54.840 -0.289 0.000 0.749 219 L CB -0.655 41.375 42.059 -0.048 0.000 0.901 219 L HN 0.142 nan 8.230 nan 0.000 0.433 220 S N -0.506 115.160 115.700 -0.057 0.000 2.442 220 S HA -0.187 4.207 4.470 -0.126 0.000 0.236 220 S C 1.947 176.484 174.600 -0.105 0.000 1.007 220 S CA 1.130 59.358 58.200 0.047 0.000 0.965 220 S CB -0.139 63.125 63.200 0.108 0.000 0.773 220 S HN 0.466 nan 8.310 nan 0.000 0.504 221 Q N 0.457 120.133 119.800 -0.206 0.000 2.061 221 Q HA 0.096 4.360 4.340 -0.126 0.000 0.195 221 Q C 2.469 178.323 176.000 -0.243 0.000 0.967 221 Q CA 0.694 56.364 55.803 -0.222 0.000 0.829 221 Q CB -0.087 28.503 28.738 -0.247 0.000 0.900 221 Q HN 0.402 nan 8.270 nan 0.000 0.450 222 R N -0.106 120.155 120.500 -0.398 0.000 2.073 222 R HA -0.067 4.197 4.340 -0.126 0.000 0.234 222 R C 0.127 176.223 176.300 -0.341 0.000 1.134 222 R CA 0.877 56.660 56.100 -0.528 0.000 0.952 222 R CB 0.139 29.826 30.300 -1.021 0.000 0.850 222 R HN 0.087 nan 8.270 nan 0.000 0.433 223 F N 0.190 120.127 119.950 -0.022 0.000 2.334 223 F HA 0.344 4.796 4.527 -0.124 0.000 0.343 223 F C -1.884 173.930 175.800 0.024 0.000 1.136 223 F CA -3.310 54.692 58.000 0.004 0.000 1.237 223 F CB 0.908 39.923 39.000 0.025 0.000 1.525 223 F HN -0.162 nan 8.300 nan 0.000 0.528 224 P HA -0.161 nan 4.420 nan 0.000 0.215 224 P C 1.330 178.676 177.300 0.076 0.000 1.153 224 P CA 1.728 64.846 63.100 0.030 0.000 0.853 224 P CB 0.270 31.950 31.700 -0.034 0.000 0.788 225 K N -0.607 119.850 120.400 0.094 0.000 2.365 225 K HA 0.119 4.363 4.320 -0.126 0.000 0.199 225 K C 0.972 177.649 176.600 0.128 0.000 1.045 225 K CA 0.169 56.507 56.287 0.085 0.000 0.962 225 K CB -0.357 32.173 32.500 0.050 0.000 0.759 225 K HN 0.087 nan 8.250 nan 0.000 0.469 226 A N 2.442 125.370 122.820 0.179 0.000 2.511 226 A HA 0.009 4.253 4.320 -0.126 0.000 0.242 226 A C -0.160 177.570 177.584 0.244 0.000 1.069 226 A CA -0.038 52.102 52.037 0.171 0.000 0.763 226 A CB 0.089 19.210 19.000 0.202 0.000 1.001 226 A HN 0.200 nan 8.150 nan 0.000 0.498 227 E N 0.740 121.025 120.200 0.143 0.000 2.374 227 E HA 0.150 4.424 4.350 -0.126 0.000 0.260 227 E C 0.309 176.870 176.600 -0.065 0.000 1.101 227 E CA -0.287 56.192 56.400 0.131 0.000 0.907 227 E CB 0.403 30.153 29.700 0.084 0.000 1.014 227 E HN 0.666 nan 8.360 nan 0.000 0.427 228 F N 2.359 122.026 119.950 -0.472 0.000 2.126 228 F HA -0.220 4.230 4.527 -0.128 0.000 0.299 228 F C 1.955 177.568 175.800 -0.312 0.000 1.096 228 F CA 1.921 59.446 58.000 -0.792 0.000 1.255 228 F CB -0.394 38.180 39.000 -0.711 0.000 0.997 228 F HN 0.550 nan 8.300 nan 0.000 0.479 229 A N -0.567 122.087 122.820 -0.276 0.000 1.972 229 A HA -0.195 4.049 4.320 -0.126 0.000 0.219 229 A C 2.073 179.520 177.584 -0.227 0.000 1.169 229 A CA 1.798 53.669 52.037 -0.277 0.000 0.635 229 A CB -0.754 18.198 19.000 -0.081 0.000 0.810 229 A HN 0.463 nan 8.150 nan 0.000 0.446 230 E N -0.128 119.984 120.200 -0.145 0.000 2.033 230 E HA -0.069 4.205 4.350 -0.126 0.000 0.189 230 E C 1.907 178.467 176.600 -0.066 0.000 0.979 230 E CA 1.365 57.731 56.400 -0.056 0.000 0.802 230 E CB -0.434 29.264 29.700 -0.004 0.000 0.763 230 E HN 0.215 nan 8.360 nan 0.000 0.449 231 V N 0.645 120.496 119.914 -0.104 0.000 2.252 231 V HA -0.325 3.719 4.120 -0.126 0.000 0.249 231 V C 2.348 178.369 176.094 -0.121 0.000 1.056 231 V CA 2.115 64.387 62.300 -0.047 0.000 1.022 231 V CB -0.964 30.839 31.823 -0.033 0.000 0.641 231 V HN 0.243 nan 8.190 nan 0.000 0.445 232 S N -0.410 115.088 115.700 -0.337 0.000 2.372 232 S HA -0.318 4.076 4.470 -0.126 0.000 0.227 232 S C 2.079 176.592 174.600 -0.145 0.000 1.044 232 S CA 1.964 59.975 58.200 -0.316 0.000 1.050 232 S CB -0.451 62.419 63.200 -0.549 0.000 0.901 232 S HN 0.511 nan 8.310 nan 0.000 0.447 233 K N 1.356 121.677 120.400 -0.132 0.000 2.063 233 K HA -0.049 4.195 4.320 -0.126 0.000 0.208 233 K C 2.007 178.583 176.600 -0.039 0.000 1.048 233 K CA 1.285 57.520 56.287 -0.087 0.000 0.928 233 K CB -0.578 31.873 32.500 -0.082 0.000 0.713 233 K HN 0.390 nan 8.250 nan 0.000 0.442 234 L N 0.513 121.747 121.223 0.019 0.000 2.093 234 L HA -0.153 4.111 4.340 -0.126 0.000 0.208 234 L C 2.506 179.436 176.870 0.100 0.000 1.085 234 L CA 0.712 55.605 54.840 0.089 0.000 0.755 234 L CB -0.383 41.772 42.059 0.159 0.000 0.904 234 L HN -0.070 nan 8.230 nan 0.000 0.435 235 V N -0.455 119.502 119.914 0.073 0.000 2.358 235 V HA -0.245 3.800 4.120 -0.126 0.000 0.246 235 V C 2.559 178.733 176.094 0.133 0.000 1.047 235 V CA 2.223 64.587 62.300 0.106 0.000 1.035 235 V CB -0.774 31.086 31.823 0.061 0.000 0.658 235 V HN 0.495 nan 8.190 nan 0.000 0.452 236 T N -0.280 114.315 114.554 0.068 0.000 2.652 236 T HA -0.207 4.067 4.350 -0.126 0.000 0.267 236 T C 1.648 176.394 174.700 0.076 0.000 1.039 236 T CA 1.782 63.921 62.100 0.064 0.000 1.153 236 T CB -0.374 68.500 68.868 0.009 0.000 0.863 236 T HN 0.443 nan 8.240 nan 0.000 0.428 237 D N 0.914 121.345 120.400 0.053 0.000 2.078 237 D HA -0.021 4.543 4.640 -0.126 0.000 0.193 237 D C 2.119 178.487 176.300 0.114 0.000 0.990 237 D CA 0.550 54.580 54.000 0.050 0.000 0.827 237 D CB -0.673 40.134 40.800 0.011 0.000 0.975 237 D HN 0.078 nan 8.370 nan 0.000 0.451 238 L N 1.023 122.352 121.223 0.175 0.000 2.034 238 L HA -0.239 4.025 4.340 -0.126 0.000 0.217 238 L C 2.298 179.391 176.870 0.371 0.000 1.077 238 L CA 1.798 56.811 54.840 0.288 0.000 0.769 238 L CB -0.991 41.274 42.059 0.344 0.000 0.890 238 L HN 0.043 nan 8.230 nan 0.000 0.435 239 T N -0.759 114.019 114.554 0.373 0.000 2.622 239 T HA -0.288 3.986 4.350 -0.126 0.000 0.266 239 T C 1.837 176.570 174.700 0.055 0.000 1.047 239 T CA 1.783 64.046 62.100 0.271 0.000 1.159 239 T CB -0.291 68.749 68.868 0.287 0.000 0.863 239 T HN 0.366 nan 8.240 nan 0.000 0.422 240 K N 0.835 121.277 120.400 0.071 0.000 2.052 240 K HA -0.191 4.053 4.320 -0.126 0.000 0.215 240 K C 2.193 178.801 176.600 0.014 0.000 1.053 240 K CA 1.803 58.105 56.287 0.026 0.000 0.934 240 K CB -0.638 31.878 32.500 0.026 0.000 0.717 240 K HN 0.161 nan 8.250 nan 0.000 0.450 241 V N 1.496 121.428 119.914 0.031 0.000 2.215 241 V HA -0.315 3.729 4.120 -0.126 0.000 0.249 241 V C 2.482 178.562 176.094 -0.023 0.000 1.054 241 V CA 2.284 64.580 62.300 -0.007 0.000 1.012 241 V CB -0.842 30.973 31.823 -0.014 0.000 0.639 241 V HN 0.491 nan 8.190 nan 0.000 0.448 242 H N 0.008 119.101 119.070 0.038 0.000 2.422 242 H HA -0.134 4.349 4.556 -0.123 0.000 0.298 242 H C 2.454 177.714 175.328 -0.113 0.000 1.098 242 H CA 2.019 58.044 56.048 -0.037 0.000 1.315 242 H CB -0.507 29.116 29.762 -0.232 0.000 1.382 242 H HN 0.472 nan 8.280 nan 0.000 0.523 243 T N 0.868 115.394 114.554 -0.046 0.000 2.720 243 T HA -0.133 4.141 4.350 -0.126 0.000 0.268 243 T C 1.867 176.582 174.700 0.024 0.000 1.037 243 T CA 1.413 63.483 62.100 -0.049 0.000 1.144 243 T CB -0.019 68.816 68.868 -0.056 0.000 0.864 243 T HN 0.546 nan 8.240 nan 0.000 0.444 244 E N 0.252 120.464 120.200 0.020 0.000 2.015 244 E HA -0.104 4.171 4.350 -0.126 0.000 0.191 244 E C 2.564 179.193 176.600 0.050 0.000 0.991 244 E CA 1.099 57.519 56.400 0.034 0.000 0.802 244 E CB -0.463 29.233 29.700 -0.007 0.000 0.759 244 E HN 0.375 nan 8.360 nan 0.000 0.447 245 c N 0.842 119.464 118.600 0.036 0.000 2.396 245 c HA -0.205 4.289 4.570 -0.126 0.000 0.277 245 c C 2.982 177.103 174.090 0.052 0.000 1.231 245 c CA 0.620 56.973 56.329 0.040 0.000 1.775 245 c CB -0.894 41.693 42.510 0.128 0.000 2.036 245 c HN 0.610 nan 8.230 nan 0.000 0.484 246 c N -2.000 116.660 118.600 0.101 0.000 2.457 246 c HA -0.076 4.418 4.570 -0.126 0.000 0.278 246 c C 2.460 176.588 174.090 0.064 0.000 1.309 246 c CA 1.248 57.639 56.329 0.104 0.000 1.735 246 c CB -1.736 40.854 42.510 0.134 0.000 1.992 246 c HN 0.768 nan 8.230 nan 0.000 0.493 247 H N 0.138 119.211 119.070 0.005 0.000 2.524 247 H HA 0.177 4.657 4.556 -0.128 0.000 0.282 247 H C 1.652 176.987 175.328 0.011 0.000 1.016 247 H CA 1.445 57.505 56.048 0.020 0.000 1.270 247 H CB -0.191 29.596 29.762 0.041 0.000 1.394 247 H HN 0.468 nan 8.280 nan 0.000 0.568 248 G N 0.135 108.905 108.800 -0.050 0.000 2.168 248 G HA2 -0.195 3.689 3.960 -0.126 0.000 0.197 248 G HA3 -0.195 3.689 3.960 -0.126 0.000 0.197 248 G C -0.484 174.349 174.900 -0.113 0.000 0.997 248 G CA 0.109 45.106 45.100 -0.172 0.000 0.658 248 G HN 0.468 nan 8.290 nan 0.000 0.513 249 D N 1.606 121.992 120.400 -0.023 0.000 2.767 249 D HA 0.354 4.919 4.640 -0.126 0.000 0.241 249 D C 2.103 178.319 176.300 -0.140 0.000 1.187 249 D CA -0.414 53.532 54.000 -0.090 0.000 0.999 249 D CB 0.229 41.020 40.800 -0.015 0.000 1.042 249 D HN 0.350 nan 8.370 nan 0.000 0.510 250 L N 0.304 121.405 121.223 -0.203 0.000 2.012 250 L HA -0.253 4.011 4.340 -0.126 0.000 0.210 250 L C 3.154 179.919 176.870 -0.176 0.000 1.073 250 L CA 1.176 55.902 54.840 -0.191 0.000 0.748 250 L CB -1.083 40.845 42.059 -0.219 0.000 0.891 250 L HN 0.296 nan 8.230 nan 0.000 0.431 251 L N 0.513 121.619 121.223 -0.196 0.000 1.956 251 L HA -0.226 4.038 4.340 -0.126 0.000 0.216 251 L C 2.805 179.604 176.870 -0.119 0.000 1.073 251 L CA 2.598 57.345 54.840 -0.154 0.000 0.762 251 L CB -1.729 40.245 42.059 -0.142 0.000 0.889 251 L HN 0.500 nan 8.230 nan 0.000 0.433 252 E N -0.302 119.824 120.200 -0.124 0.000 2.204 252 E HA -0.234 4.041 4.350 -0.126 0.000 0.195 252 E C 2.416 178.963 176.600 -0.088 0.000 0.990 252 E CA 1.568 57.902 56.400 -0.110 0.000 0.821 252 E CB -1.459 28.176 29.700 -0.107 0.000 0.750 252 E HN 0.763 nan 8.360 nan 0.000 0.477 253 c N 1.581 120.124 118.600 -0.094 0.000 2.453 253 c HA 0.140 4.634 4.570 -0.126 0.000 0.277 253 c C 3.074 177.101 174.090 -0.104 0.000 1.262 253 c CA 1.441 57.716 56.329 -0.090 0.000 1.718 253 c CB -1.056 41.393 42.510 -0.101 0.000 2.031 253 c HN 0.547 nan 8.230 nan 0.000 0.480 254 A N -0.199 122.549 122.820 -0.121 0.000 1.933 254 A HA -0.176 4.069 4.320 -0.126 0.000 0.218 254 A C 2.062 179.611 177.584 -0.059 0.000 1.175 254 A CA 2.199 54.171 52.037 -0.108 0.000 0.628 254 A CB -0.784 18.155 19.000 -0.102 0.000 0.814 254 A HN 0.730 nan 8.150 nan 0.000 0.444 255 D N 0.030 120.398 120.400 -0.053 0.000 2.075 255 D HA -0.137 4.427 4.640 -0.126 0.000 0.196 255 D C 1.303 177.595 176.300 -0.013 0.000 0.985 255 D CA 1.358 55.341 54.000 -0.028 0.000 0.834 255 D CB -0.305 40.466 40.800 -0.049 0.000 0.987 255 D HN 0.351 nan 8.370 nan 0.000 0.452 256 D N 0.409 120.795 120.400 -0.024 0.000 2.172 256 D HA -0.198 4.366 4.640 -0.126 0.000 0.196 256 D C 2.106 178.414 176.300 0.013 0.000 0.999 256 D CA 0.609 54.605 54.000 -0.006 0.000 0.856 256 D CB -0.200 40.591 40.800 -0.014 0.000 0.934 256 D HN 0.261 nan 8.370 nan 0.000 0.453 257 R N 0.740 121.241 120.500 0.002 0.000 2.096 257 R HA -0.106 4.158 4.340 -0.126 0.000 0.235 257 R C 2.150 178.477 176.300 0.047 0.000 1.127 257 R CA 1.331 57.448 56.100 0.028 0.000 0.968 257 R CB -0.086 30.211 30.300 -0.005 0.000 0.861 257 R HN 0.102 nan 8.270 nan 0.000 0.440 258 A N 1.218 124.058 122.820 0.033 0.000 1.873 258 A HA -0.166 4.078 4.320 -0.126 0.000 0.215 258 A C 1.592 179.212 177.584 0.061 0.000 1.186 258 A CA 1.787 53.851 52.037 0.046 0.000 0.616 258 A CB -0.492 18.531 19.000 0.038 0.000 0.823 258 A HN 0.348 nan 8.150 nan 0.000 0.442 259 D N -0.327 120.107 120.400 0.056 0.000 2.133 259 D HA -0.162 4.402 4.640 -0.126 0.000 0.195 259 D C 1.756 178.116 176.300 0.099 0.000 0.997 259 D CA 1.301 55.342 54.000 0.068 0.000 0.840 259 D CB -0.443 40.385 40.800 0.047 0.000 0.947 259 D HN 0.326 nan 8.370 nan 0.000 0.452 260 L N 0.604 121.884 121.223 0.094 0.000 2.083 260 L HA -0.034 4.230 4.340 -0.126 0.000 0.209 260 L C 2.047 179.012 176.870 0.159 0.000 1.083 260 L CA 1.609 56.529 54.840 0.134 0.000 0.752 260 L CB -0.894 41.235 42.059 0.116 0.000 0.899 260 L HN -0.000 nan 8.230 nan 0.000 0.433 261 A N -0.560 122.329 122.820 0.114 0.000 1.877 261 A HA -0.258 3.986 4.320 -0.126 0.000 0.216 261 A C 2.445 180.077 177.584 0.079 0.000 1.186 261 A CA 1.883 53.974 52.037 0.091 0.000 0.620 261 A CB -0.634 18.410 19.000 0.074 0.000 0.822 261 A HN 0.489 nan 8.150 nan 0.000 0.443 262 K N -1.668 118.785 120.400 0.088 0.000 2.044 262 K HA -0.256 3.989 4.320 -0.126 0.000 0.210 262 K C 1.959 178.610 176.600 0.085 0.000 1.049 262 K CA 2.108 58.441 56.287 0.077 0.000 0.927 262 K CB -0.455 32.096 32.500 0.085 0.000 0.713 262 K HN 0.513 nan 8.250 nan 0.000 0.443 263 Y N 1.511 121.816 120.300 0.008 0.000 2.114 263 Y HA -0.181 4.292 4.550 -0.128 0.000 0.284 263 Y C 1.899 177.787 175.900 -0.020 0.000 1.143 263 Y CA 1.834 59.932 58.100 -0.003 0.000 1.135 263 Y CB -0.285 38.176 38.460 0.002 0.000 0.980 263 Y HN 0.041 nan 8.280 nan 0.000 0.499 264 I N -0.954 119.599 120.570 -0.028 0.000 2.399 264 I HA -0.405 3.689 4.170 -0.126 0.000 0.254 264 I C 2.297 178.299 176.117 -0.192 0.000 1.146 264 I CA 1.267 62.479 61.300 -0.148 0.000 1.412 264 I CB -0.618 37.375 38.000 -0.012 0.000 1.076 264 I HN 0.375 nan 8.210 nan 0.000 0.432 265 c N 0.278 118.807 118.600 -0.119 0.000 2.485 265 c HA -0.028 4.467 4.570 -0.126 0.000 0.278 265 c C 2.605 176.618 174.090 -0.129 0.000 1.356 265 c CA 0.216 56.486 56.329 -0.099 0.000 1.747 265 c CB -0.701 41.785 42.510 -0.040 0.000 2.001 265 c HN 0.471 nan 8.230 nan 0.000 0.501 266 E N 1.352 121.456 120.200 -0.160 0.000 2.047 266 E HA -0.140 4.135 4.350 -0.126 0.000 0.191 266 E C 0.497 176.969 176.600 -0.213 0.000 0.987 266 E CA 1.105 57.411 56.400 -0.155 0.000 0.799 266 E CB -0.223 29.397 29.700 -0.133 0.000 0.752 266 E HN 0.675 nan 8.360 nan 0.000 0.449 267 N N 0.970 119.451 118.700 -0.365 0.000 2.575 267 N HA 0.028 4.692 4.740 -0.126 0.000 0.275 267 N C 0.681 176.025 175.510 -0.278 0.000 1.202 267 N CA -0.061 52.783 53.050 -0.344 0.000 0.945 267 N CB 0.456 38.624 38.487 -0.532 0.000 1.247 267 N HN 0.123 nan 8.380 nan 0.000 0.510 268 Q N 0.756 120.429 119.800 -0.211 0.000 2.029 268 Q HA -0.222 4.042 4.340 -0.126 0.000 0.209 268 Q C 0.573 176.478 176.000 -0.158 0.000 0.999 268 Q CA 1.623 57.319 55.803 -0.178 0.000 0.857 268 Q CB 0.068 28.734 28.738 -0.120 0.000 0.926 268 Q HN 0.490 nan 8.270 nan 0.000 0.415 269 D N -0.478 119.852 120.400 -0.118 0.000 2.265 269 D HA -0.111 4.454 4.640 -0.126 0.000 0.208 269 D C 1.679 177.926 176.300 -0.088 0.000 0.977 269 D CA 1.097 55.045 54.000 -0.087 0.000 0.871 269 D CB -0.025 40.737 40.800 -0.065 0.000 0.925 269 D HN 0.155 nan 8.370 nan 0.000 0.485 270 S N -0.333 115.298 115.700 -0.115 0.000 2.501 270 S HA 0.105 4.500 4.470 -0.126 0.000 0.220 270 S C 1.961 176.491 174.600 -0.115 0.000 0.997 270 S CA 0.036 58.179 58.200 -0.095 0.000 0.919 270 S CB 0.583 63.727 63.200 -0.094 0.000 0.778 270 S HN 0.218 nan 8.310 nan 0.000 0.523 271 I N -0.681 119.768 120.570 -0.202 0.000 3.325 271 I HA 0.203 4.297 4.170 -0.126 0.000 0.237 271 I C 0.814 176.748 176.117 -0.304 0.000 1.068 271 I CA 0.227 61.329 61.300 -0.330 0.000 1.511 271 I CB 0.259 37.909 38.000 -0.584 0.000 1.409 271 I HN 0.077 nan 8.210 nan 0.000 0.464 272 S N -0.832 114.682 115.700 -0.311 0.000 2.564 272 S HA 0.304 4.698 4.470 -0.126 0.000 0.274 272 S C 0.348 174.908 174.600 -0.066 0.000 1.124 272 S CA -0.249 57.885 58.200 -0.110 0.000 0.869 272 S CB 1.551 64.752 63.200 0.003 0.000 1.105 272 S HN 0.270 nan 8.310 nan 0.000 0.472 273 S N 1.341 117.035 115.700 -0.010 0.000 2.575 273 S HA 0.124 4.518 4.470 -0.126 0.000 0.215 273 S C 0.795 175.396 174.600 0.002 0.000 0.966 273 S CA -0.263 57.929 58.200 -0.012 0.000 0.911 273 S CB -0.004 63.192 63.200 -0.006 0.000 0.780 273 S HN 0.424 nan 8.310 nan 0.000 0.514 274 K N 0.954 121.369 120.400 0.026 0.000 2.410 274 K HA 0.465 4.710 4.320 -0.126 0.000 0.200 274 K C 1.111 177.732 176.600 0.034 0.000 1.023 274 K CA -0.033 56.275 56.287 0.035 0.000 1.149 274 K CB -0.562 31.972 32.500 0.057 0.000 0.859 274 K HN 0.562 nan 8.250 nan 0.000 0.514 275 L N -0.028 121.201 121.223 0.010 0.000 2.509 275 L HA 0.059 4.323 4.340 -0.126 0.000 0.222 275 L C 2.878 179.744 176.870 -0.008 0.000 1.123 275 L CA 0.763 55.602 54.840 -0.001 0.000 0.856 275 L CB -0.760 41.269 42.059 -0.050 0.000 0.985 275 L HN 0.309 nan 8.230 nan 0.000 0.456 276 K N 1.073 121.467 120.400 -0.010 0.000 1.981 276 K HA -0.320 3.924 4.320 -0.126 0.000 0.228 276 K C 2.175 178.776 176.600 0.002 0.000 1.050 276 K CA 2.593 58.876 56.287 -0.008 0.000 1.001 276 K CB -1.704 30.792 32.500 -0.005 0.000 0.738 276 K HN 0.405 nan 8.250 nan 0.000 0.447 277 E N -0.182 120.023 120.200 0.009 0.000 2.208 277 E HA -0.238 4.036 4.350 -0.126 0.000 0.202 277 E C 2.322 178.934 176.600 0.021 0.000 1.014 277 E CA 1.945 58.355 56.400 0.017 0.000 0.819 277 E CB -1.646 28.066 29.700 0.020 0.000 0.735 277 E HN 0.723 nan 8.360 nan 0.000 0.469 278 c N -0.807 117.804 118.600 0.019 0.000 2.457 278 c HA -0.025 4.469 4.570 -0.126 0.000 0.278 278 c C 2.694 176.796 174.090 0.020 0.000 1.309 278 c CA 0.719 57.062 56.329 0.022 0.000 1.735 278 c CB -0.806 41.716 42.510 0.021 0.000 1.992 278 c HN 0.826 nan 8.230 nan 0.000 0.493 279 c N 0.845 119.451 118.600 0.010 0.000 2.576 279 c HA 0.204 4.698 4.570 -0.126 0.000 0.267 279 c C 2.005 176.102 174.090 0.012 0.000 1.364 279 c CA 0.930 57.263 56.329 0.006 0.000 1.723 279 c CB -2.079 40.425 42.510 -0.011 0.000 1.778 279 c HN 0.774 nan 8.230 nan 0.000 0.572 280 E N 1.388 121.598 120.200 0.017 0.000 2.496 280 E HA 0.265 4.539 4.350 -0.126 0.000 0.202 280 E C 0.254 176.871 176.600 0.028 0.000 1.021 280 E CA -0.312 56.100 56.400 0.019 0.000 1.015 280 E CB -0.211 29.498 29.700 0.016 0.000 1.102 280 E HN 0.903 nan 8.360 nan 0.000 0.452 281 K N -1.514 118.908 120.400 0.036 0.000 2.499 281 K HA 0.713 4.957 4.320 -0.126 0.000 0.277 281 K C -3.000 173.633 176.600 0.055 0.000 1.025 281 K CA -2.307 54.009 56.287 0.047 0.000 0.900 281 K CB 0.925 33.459 32.500 0.058 0.000 1.494 281 K HN -0.158 nan 8.250 nan 0.000 0.442 282 P HA -0.122 nan 4.420 nan 0.000 0.263 282 P C 0.733 178.082 177.300 0.081 0.000 1.175 282 P CA -0.298 62.846 63.100 0.073 0.000 0.761 282 P CB 0.302 32.053 31.700 0.085 0.000 0.794 283 L N 5.471 126.738 121.223 0.072 0.000 1.980 283 L HA -0.283 3.981 4.340 -0.126 0.000 0.232 283 L C 1.857 178.780 176.870 0.088 0.000 1.092 283 L CA 2.091 56.974 54.840 0.071 0.000 0.808 283 L CB -1.540 40.558 42.059 0.065 0.000 0.908 283 L HN 0.374 nan 8.230 nan 0.000 0.442 284 L N -0.964 120.330 121.223 0.119 0.000 2.021 284 L HA -0.291 3.973 4.340 -0.126 0.000 0.215 284 L C 2.624 179.588 176.870 0.156 0.000 1.074 284 L CA 2.122 57.065 54.840 0.172 0.000 0.760 284 L CB -0.914 41.297 42.059 0.255 0.000 0.889 284 L HN 0.442 nan 8.230 nan 0.000 0.433 285 E N -0.067 120.254 120.200 0.202 0.000 2.106 285 E HA -0.211 4.064 4.350 -0.126 0.000 0.192 285 E C 2.104 178.727 176.600 0.038 0.000 0.984 285 E CA 1.022 57.520 56.400 0.163 0.000 0.806 285 E CB -0.081 29.759 29.700 0.235 0.000 0.750 285 E HN 0.303 nan 8.360 nan 0.000 0.458 286 K N 0.200 120.633 120.400 0.055 0.000 2.057 286 K HA -0.120 4.124 4.320 -0.126 0.000 0.207 286 K C 2.058 178.671 176.600 0.021 0.000 1.049 286 K CA 1.575 57.885 56.287 0.038 0.000 0.931 286 K CB -0.040 32.486 32.500 0.044 0.000 0.714 286 K HN -0.020 nan 8.250 nan 0.000 0.440 287 S N -0.300 115.414 115.700 0.024 0.000 2.338 287 S HA -0.182 4.212 4.470 -0.126 0.000 0.218 287 S C 1.770 176.367 174.600 -0.006 0.000 1.032 287 S CA 1.539 59.760 58.200 0.035 0.000 0.999 287 S CB -0.529 62.708 63.200 0.061 0.000 0.905 287 S HN 0.570 nan 8.310 nan 0.000 0.439 288 H N -0.279 118.645 119.070 -0.244 0.000 2.518 288 H HA -0.032 4.445 4.556 -0.132 0.000 0.289 288 H C 2.176 177.352 175.328 -0.253 0.000 1.051 288 H CA 1.333 57.141 56.048 -0.400 0.000 1.280 288 H CB -0.376 28.657 29.762 -1.214 0.000 1.380 288 H HN 0.428 nan 8.280 nan 0.000 0.566 289 c N -0.683 117.839 118.600 -0.130 0.000 2.544 289 c HA 0.052 4.547 4.570 -0.126 0.000 0.280 289 c C 2.621 176.676 174.090 -0.059 0.000 1.295 289 c CA 0.525 56.808 56.329 -0.076 0.000 1.702 289 c CB -1.097 41.413 42.510 0.000 0.000 2.090 289 c HN 0.680 nan 8.230 nan 0.000 0.493 290 I N 1.949 122.512 120.570 -0.011 0.000 2.179 290 I HA -0.145 3.949 4.170 -0.126 0.000 0.242 290 I C 2.797 178.939 176.117 0.042 0.000 1.088 290 I CA 1.722 63.051 61.300 0.048 0.000 1.357 290 I CB -0.689 37.359 38.000 0.080 0.000 1.051 290 I HN 0.378 nan 8.210 nan 0.000 0.409 291 A N -0.146 122.673 122.820 -0.001 0.000 2.186 291 A HA -0.135 4.109 4.320 -0.126 0.000 0.219 291 A C 1.617 179.155 177.584 -0.077 0.000 1.159 291 A CA 1.430 53.461 52.037 -0.010 0.000 0.680 291 A CB -0.303 18.698 19.000 0.002 0.000 0.787 291 A HN 0.460 nan 8.150 nan 0.000 0.467 292 E N -0.745 119.380 120.200 -0.126 0.000 2.876 292 E HA 0.181 4.455 4.350 -0.126 0.000 0.208 292 E C -0.641 175.913 176.600 -0.076 0.000 0.981 292 E CA -0.170 56.152 56.400 -0.131 0.000 1.174 292 E CB 0.530 30.089 29.700 -0.235 0.000 1.047 292 E HN 0.220 nan 8.360 nan 0.000 0.477 293 V N 2.547 122.439 119.914 -0.037 0.000 2.686 293 V HA 0.047 4.091 4.120 -0.126 0.000 0.295 293 V C 0.415 176.492 176.094 -0.029 0.000 1.055 293 V CA -0.258 62.040 62.300 -0.003 0.000 1.050 293 V CB 0.864 32.731 31.823 0.073 0.000 0.984 293 V HN 0.271 nan 8.190 nan 0.000 0.482 294 E N 5.791 125.979 120.200 -0.020 0.000 2.408 294 E HA 0.142 4.417 4.350 -0.126 0.000 0.259 294 E C -0.409 176.166 176.600 -0.042 0.000 1.110 294 E CA -0.635 55.741 56.400 -0.041 0.000 0.929 294 E CB 0.272 29.956 29.700 -0.027 0.000 0.971 294 E HN 0.700 nan 8.360 nan 0.000 0.438 295 N N 1.970 120.625 118.700 -0.076 0.000 2.441 295 N HA -0.027 4.637 4.740 -0.126 0.000 0.251 295 N C -0.320 175.179 175.510 -0.018 0.000 1.242 295 N CA 0.027 53.028 53.050 -0.081 0.000 0.898 295 N CB 0.379 38.801 38.487 -0.109 0.000 1.100 295 N HN 0.571 nan 8.380 nan 0.000 0.443 296 D N 0.386 120.804 120.400 0.029 0.000 2.358 296 D HA 0.027 4.591 4.640 -0.126 0.000 0.244 296 D C -0.002 176.299 176.300 0.003 0.000 1.163 296 D CA -0.207 53.822 54.000 0.047 0.000 0.945 296 D CB 0.859 41.723 40.800 0.107 0.000 1.152 296 D HN 0.341 nan 8.370 nan 0.000 0.451 297 E N 0.583 120.781 120.200 -0.003 0.000 2.422 297 E HA 0.036 4.311 4.350 -0.126 0.000 0.260 297 E C -0.294 176.287 176.600 -0.032 0.000 1.108 297 E CA 0.102 56.488 56.400 -0.023 0.000 0.943 297 E CB 0.400 30.088 29.700 -0.020 0.000 0.961 297 E HN 0.398 nan 8.360 nan 0.000 0.443 298 M N 4.173 123.741 119.600 -0.055 0.000 2.185 298 M HA 0.301 4.705 4.480 -0.126 0.000 0.357 298 M C -2.078 174.185 176.300 -0.061 0.000 1.260 298 M CA -1.818 53.438 55.300 -0.074 0.000 1.124 298 M CB 0.953 33.488 32.600 -0.109 0.000 1.600 298 M HN 0.328 nan 8.290 nan 0.000 0.467 299 P HA 0.027 nan 4.420 nan 0.000 0.262 299 P C -0.377 176.892 177.300 -0.051 0.000 1.182 299 P CA 0.036 63.110 63.100 -0.042 0.000 0.761 299 P CB 0.607 32.285 31.700 -0.036 0.000 0.795 300 A N 3.785 126.582 122.820 -0.039 0.000 2.546 300 A HA -0.075 4.169 4.320 -0.126 0.000 0.190 300 A C 1.247 178.804 177.584 -0.044 0.000 1.102 300 A CA 1.875 53.889 52.037 -0.039 0.000 0.909 300 A CB -1.892 17.091 19.000 -0.028 0.000 0.818 300 A HN 0.590 nan 8.150 nan 0.000 0.557 301 D N -0.974 119.405 120.400 -0.034 0.000 2.348 301 D HA 0.541 5.105 4.640 -0.126 0.000 0.259 301 D C -0.472 175.805 176.300 -0.038 0.000 1.296 301 D CA 0.445 54.425 54.000 -0.034 0.000 0.931 301 D CB -0.707 40.080 40.800 -0.023 0.000 1.067 301 D HN 1.454 nan 8.370 nan 0.000 0.503 302 L N 2.111 123.302 121.223 -0.054 0.000 2.341 302 L HA 0.891 5.155 4.340 -0.126 0.000 0.278 302 L C -1.026 175.810 176.870 -0.057 0.000 1.005 302 L CA -1.486 53.317 54.840 -0.062 0.000 0.818 302 L CB 0.980 42.980 42.059 -0.098 0.000 1.259 302 L HN 0.661 nan 8.230 nan 0.000 0.418 303 P HA 0.249 nan 4.420 nan 0.000 0.274 303 P C 0.003 177.281 177.300 -0.038 0.000 1.264 303 P CA -0.199 62.884 63.100 -0.028 0.000 0.795 303 P CB 0.873 32.568 31.700 -0.010 0.000 1.064 304 S N -0.736 114.950 115.700 -0.024 0.000 2.499 304 S HA 0.186 4.580 4.470 -0.126 0.000 0.279 304 S C 1.506 176.116 174.600 0.017 0.000 1.219 304 S CA -0.755 57.431 58.200 -0.024 0.000 1.062 304 S CB -0.127 63.057 63.200 -0.028 0.000 0.978 304 S HN 0.395 nan 8.310 nan 0.000 0.489 305 L N 4.645 125.886 121.223 0.030 0.000 1.997 305 L HA -0.209 4.056 4.340 -0.126 0.000 0.216 305 L C 2.893 179.918 176.870 0.258 0.000 1.074 305 L CA 2.003 56.945 54.840 0.170 0.000 0.763 305 L CB -0.874 41.255 42.059 0.116 0.000 0.890 305 L HN 0.900 nan 8.230 nan 0.000 0.434 306 A N -0.272 122.574 122.820 0.043 0.000 1.971 306 A HA -0.351 3.893 4.320 -0.126 0.000 0.222 306 A C 2.474 180.086 177.584 0.047 0.000 1.182 306 A CA 2.253 54.236 52.037 -0.090 0.000 0.649 306 A CB -0.938 17.876 19.000 -0.310 0.000 0.818 306 A HN 0.525 nan 8.150 nan 0.000 0.458 307 A N -0.152 122.692 122.820 0.040 0.000 1.859 307 A HA -0.243 4.001 4.320 -0.126 0.000 0.218 307 A C 1.665 179.263 177.584 0.022 0.000 1.209 307 A CA 2.087 54.143 52.037 0.031 0.000 0.639 307 A CB -0.623 18.385 19.000 0.014 0.000 0.835 307 A HN 0.487 nan 8.150 nan 0.000 0.450 308 D N -2.317 118.054 120.400 -0.048 0.000 2.350 308 D HA 0.185 4.749 4.640 -0.126 0.000 0.213 308 D C 0.551 176.588 176.300 -0.440 0.000 1.031 308 D CA 0.434 54.271 54.000 -0.272 0.000 0.861 308 D CB 0.081 40.589 40.800 -0.486 0.000 0.926 308 D HN 0.485 nan 8.370 nan 0.000 0.520 309 F N -0.591 119.503 119.950 0.239 0.000 2.784 309 F HA 0.085 4.537 4.527 -0.124 0.000 0.323 309 F C 1.737 177.757 175.800 0.366 0.000 1.085 309 F CA -0.140 58.060 58.000 0.333 0.000 1.196 309 F CB 0.708 39.879 39.000 0.284 0.000 1.053 309 F HN -0.112 nan 8.300 nan 0.000 0.578 310 V N -4.978 115.183 119.914 0.411 0.000 3.294 310 V HA 0.289 4.333 4.120 -0.126 0.000 0.255 310 V C 1.272 177.569 176.094 0.338 0.000 1.528 310 V CA 0.217 62.773 62.300 0.428 0.000 1.086 310 V CB 0.329 32.285 31.823 0.221 0.000 0.906 310 V HN 0.070 nan 8.190 nan 0.000 0.433 311 E N 1.606 121.948 120.200 0.238 0.000 2.127 311 E HA 0.173 4.448 4.350 -0.126 0.000 0.191 311 E C 1.314 178.132 176.600 0.364 0.000 0.964 311 E CA 0.740 57.308 56.400 0.280 0.000 0.832 311 E CB 0.296 30.082 29.700 0.142 0.000 0.790 311 E HN 0.566 nan 8.360 nan 0.000 0.465 312 S N 0.114 115.955 115.700 0.235 0.000 2.549 312 S HA -0.011 4.384 4.470 -0.126 0.000 0.278 312 S C 0.960 175.719 174.600 0.264 0.000 1.344 312 S CA 0.936 59.240 58.200 0.174 0.000 1.025 312 S CB 1.004 64.261 63.200 0.095 0.000 0.851 312 S HN 0.248 nan 8.310 nan 0.000 0.530 313 K N 1.329 121.823 120.400 0.157 0.000 2.367 313 K HA 0.170 4.414 4.320 -0.126 0.000 0.194 313 K C 0.889 177.565 176.600 0.126 0.000 1.027 313 K CA 0.779 57.164 56.287 0.164 0.000 1.075 313 K CB -0.211 32.314 32.500 0.042 0.000 0.845 313 K HN 0.784 nan 8.250 nan 0.000 0.529 314 D N 0.403 120.846 120.400 0.071 0.000 2.340 314 D HA 0.072 4.636 4.640 -0.126 0.000 0.217 314 D C 1.529 177.796 176.300 -0.055 0.000 1.081 314 D CA 0.161 54.166 54.000 0.008 0.000 0.842 314 D CB 0.512 41.302 40.800 -0.017 0.000 0.934 314 D HN 0.117 nan 8.370 nan 0.000 0.511 315 V N 0.846 120.747 119.914 -0.021 0.000 2.220 315 V HA -0.390 3.654 4.120 -0.126 0.000 0.250 315 V C 2.671 178.615 176.094 -0.251 0.000 1.053 315 V CA 1.787 64.005 62.300 -0.137 0.000 1.019 315 V CB -0.916 30.763 31.823 -0.240 0.000 0.646 315 V HN 0.340 nan 8.190 nan 0.000 0.455 316 c N -0.060 118.443 118.600 -0.162 0.000 2.385 316 c HA -0.242 4.252 4.570 -0.126 0.000 0.275 316 c C 3.169 177.230 174.090 -0.049 0.000 1.207 316 c CA 1.855 58.146 56.329 -0.063 0.000 1.760 316 c CB -1.492 41.027 42.510 0.014 0.000 2.051 316 c HN 0.750 nan 8.230 nan 0.000 0.467 317 K N 0.902 121.260 120.400 -0.070 0.000 2.001 317 K HA -0.220 4.025 4.320 -0.126 0.000 0.214 317 K C 1.644 178.159 176.600 -0.142 0.000 1.050 317 K CA 2.132 58.373 56.287 -0.076 0.000 0.934 317 K CB -1.231 31.236 32.500 -0.055 0.000 0.718 317 K HN 0.680 nan 8.250 nan 0.000 0.443 318 N N -0.806 117.745 118.700 -0.249 0.000 2.104 318 N HA -0.160 4.504 4.740 -0.126 0.000 0.190 318 N C 1.793 177.052 175.510 -0.418 0.000 1.024 318 N CA 1.768 54.597 53.050 -0.369 0.000 0.853 318 N CB -0.432 37.697 38.487 -0.597 0.000 1.008 318 N HN 0.598 nan 8.380 nan 0.000 0.424 319 Y N 1.802 121.702 120.300 -0.667 0.000 2.207 319 Y HA -0.164 4.309 4.550 -0.127 0.000 0.287 319 Y C 2.329 178.147 175.900 -0.136 0.000 1.156 319 Y CA 1.357 59.237 58.100 -0.368 0.000 1.182 319 Y CB -0.557 37.755 38.460 -0.246 0.000 0.979 319 Y HN 0.076 nan 8.280 nan 0.000 0.521 320 A N 0.078 122.772 122.820 -0.211 0.000 1.897 320 A HA -0.127 4.117 4.320 -0.126 0.000 0.215 320 A C 2.136 179.621 177.584 -0.166 0.000 1.181 320 A CA 1.473 53.373 52.037 -0.229 0.000 0.620 320 A CB -0.609 18.322 19.000 -0.116 0.000 0.821 320 A HN 0.588 nan 8.150 nan 0.000 0.443 321 E N -0.383 119.748 120.200 -0.116 0.000 2.033 321 E HA -0.058 4.216 4.350 -0.126 0.000 0.199 321 E C 0.715 177.290 176.600 -0.043 0.000 1.011 321 E CA 1.242 57.603 56.400 -0.065 0.000 0.815 321 E CB -0.148 29.525 29.700 -0.045 0.000 0.755 321 E HN 0.518 nan 8.360 nan 0.000 0.451 322 A N 0.843 123.650 122.820 -0.022 0.000 3.158 322 A HA 0.164 4.408 4.320 -0.126 0.000 0.302 322 A C 0.724 178.368 177.584 0.099 0.000 1.162 322 A CA -0.517 51.542 52.037 0.037 0.000 0.824 322 A CB 0.329 19.383 19.000 0.090 0.000 1.322 322 A HN 0.188 nan 8.150 nan 0.000 0.510 323 K N 0.320 120.716 120.400 -0.008 0.000 2.044 323 K HA -0.225 4.019 4.320 -0.126 0.000 0.210 323 K C 0.646 177.411 176.600 0.275 0.000 1.049 323 K CA 2.036 58.382 56.287 0.097 0.000 0.927 323 K CB -0.166 32.151 32.500 -0.304 0.000 0.713 323 K HN 0.345 nan 8.250 nan 0.000 0.443 324 D N 0.782 121.287 120.400 0.174 0.000 2.158 324 D HA -0.130 4.434 4.640 -0.126 0.000 0.197 324 D C 2.041 178.494 176.300 0.255 0.000 0.995 324 D CA 1.395 55.513 54.000 0.197 0.000 0.846 324 D CB -0.066 40.820 40.800 0.143 0.000 0.941 324 D HN 0.171 nan 8.370 nan 0.000 0.456 325 V N 0.193 120.271 119.914 0.273 0.000 2.488 325 V HA -0.132 3.912 4.120 -0.126 0.000 0.246 325 V C 2.078 178.374 176.094 0.337 0.000 1.046 325 V CA 0.864 63.365 62.300 0.336 0.000 1.053 325 V CB -0.521 31.487 31.823 0.308 0.000 0.679 325 V HN 0.115 nan 8.190 nan 0.000 0.458 326 F N 0.412 120.490 119.950 0.214 0.000 2.084 326 F HA -0.160 4.292 4.527 -0.125 0.000 0.296 326 F C 2.147 178.140 175.800 0.322 0.000 1.111 326 F CA 1.687 59.851 58.000 0.273 0.000 1.224 326 F CB -0.009 39.188 39.000 0.327 0.000 0.991 326 F HN -0.004 nan 8.300 nan 0.000 0.471 327 L N -0.130 121.285 121.223 0.321 0.000 2.131 327 L HA -0.164 4.100 4.340 -0.126 0.000 0.210 327 L C 2.695 179.657 176.870 0.153 0.000 1.092 327 L CA 1.136 56.103 54.840 0.213 0.000 0.759 327 L CB -1.358 40.865 42.059 0.273 0.000 0.903 327 L HN 0.359 nan 8.230 nan 0.000 0.435 328 G N -0.655 108.246 108.800 0.168 0.000 2.402 328 G HA2 -0.261 3.624 3.960 -0.126 0.000 0.216 328 G HA3 -0.261 3.624 3.960 -0.126 0.000 0.216 328 G C 1.648 176.515 174.900 -0.056 0.000 1.162 328 G CA 0.448 45.660 45.100 0.186 0.000 0.777 328 G HN 0.163 nan 8.290 nan 0.000 0.539 329 M N -0.684 118.696 119.600 -0.367 0.000 2.099 329 M HA 0.062 4.467 4.480 -0.126 0.000 0.262 329 M C 2.267 178.421 176.300 -0.245 0.000 1.067 329 M CA 1.213 56.156 55.300 -0.594 0.000 1.124 329 M CB -0.245 32.123 32.600 -0.387 0.000 1.353 329 M HN 0.293 nan 8.290 nan 0.000 0.410 330 F N 0.860 120.504 119.950 -0.510 0.000 2.065 330 F HA -0.311 4.139 4.527 -0.128 0.000 0.298 330 F C 1.904 177.392 175.800 -0.520 0.000 1.112 330 F CA 1.723 59.144 58.000 -0.965 0.000 1.212 330 F CB -0.567 37.839 39.000 -0.990 0.000 0.975 330 F HN 0.051 nan 8.300 nan 0.000 0.476 331 L N 0.141 121.230 121.223 -0.222 0.000 1.990 331 L HA -0.247 4.017 4.340 -0.126 0.000 0.213 331 L C 2.351 179.091 176.870 -0.216 0.000 1.072 331 L CA 2.407 57.121 54.840 -0.210 0.000 0.755 331 L CB -1.707 40.346 42.059 -0.011 0.000 0.889 331 L HN 0.460 nan 8.230 nan 0.000 0.432 332 Y N 0.485 120.664 120.300 -0.202 0.000 2.114 332 Y HA -0.256 4.217 4.550 -0.128 0.000 0.282 332 Y C 2.363 178.153 175.900 -0.183 0.000 1.165 332 Y CA 2.278 60.309 58.100 -0.115 0.000 1.148 332 Y CB -0.376 38.097 38.460 0.023 0.000 0.972 332 Y HN 0.336 nan 8.280 nan 0.000 0.504 333 E N -1.148 118.747 120.200 -0.508 0.000 2.204 333 E HA -0.206 4.068 4.350 -0.126 0.000 0.194 333 E C 1.798 178.064 176.600 -0.556 0.000 0.989 333 E CA 1.099 57.147 56.400 -0.587 0.000 0.824 333 E CB -0.455 29.038 29.700 -0.345 0.000 0.756 333 E HN 0.614 nan 8.360 nan 0.000 0.477 334 Y N 0.521 120.386 120.300 -0.725 0.000 2.397 334 Y HA 0.110 4.585 4.550 -0.125 0.000 0.292 334 Y C 2.151 177.785 175.900 -0.445 0.000 1.115 334 Y CA 0.584 58.285 58.100 -0.665 0.000 1.208 334 Y CB -0.076 37.761 38.460 -1.037 0.000 1.046 334 Y HN -0.022 nan 8.280 nan 0.000 0.552 335 A N 0.997 123.687 122.820 -0.215 0.000 1.874 335 A HA -0.119 4.125 4.320 -0.126 0.000 0.214 335 A C 2.323 179.778 177.584 -0.215 0.000 1.189 335 A CA 1.390 53.312 52.037 -0.192 0.000 0.615 335 A CB -0.632 18.250 19.000 -0.197 0.000 0.830 335 A HN 0.510 nan 8.150 nan 0.000 0.443 336 R N 0.650 120.970 120.500 -0.300 0.000 2.103 336 R HA -0.196 4.068 4.340 -0.126 0.000 0.242 336 R C 1.632 177.771 176.300 -0.268 0.000 1.142 336 R CA 1.834 57.758 56.100 -0.293 0.000 0.960 336 R CB -0.554 29.489 30.300 -0.430 0.000 0.858 336 R HN 0.595 nan 8.270 nan 0.000 0.439 337 R N -0.255 120.056 120.500 -0.315 0.000 2.426 337 R HA 0.167 4.431 4.340 -0.126 0.000 0.263 337 R C -0.280 175.670 176.300 -0.584 0.000 0.961 337 R CA -0.044 55.822 56.100 -0.390 0.000 1.086 337 R CB 0.192 30.245 30.300 -0.412 0.000 1.186 337 R HN 0.309 nan 8.270 nan 0.000 0.537 338 H N 1.305 120.174 119.070 -0.336 0.000 2.514 338 H HA 0.192 4.672 4.556 -0.127 0.000 0.226 338 H C -2.135 173.014 175.328 -0.297 0.000 1.421 338 H CA -1.497 54.290 56.048 -0.435 0.000 1.394 338 H CB 1.868 31.205 29.762 -0.708 0.000 1.701 338 H HN 0.133 nan 8.280 nan 0.000 0.515 339 P HA -0.018 nan 4.420 nan 0.000 0.245 339 P C 0.646 177.916 177.300 -0.049 0.000 1.212 339 P CA 0.499 63.534 63.100 -0.108 0.000 0.774 339 P CB 0.358 31.982 31.700 -0.127 0.000 0.999 340 D N -2.090 118.316 120.400 0.010 0.000 2.340 340 D HA -0.032 4.532 4.640 -0.126 0.000 0.217 340 D C -0.199 176.290 176.300 0.314 0.000 1.081 340 D CA -0.205 53.863 54.000 0.112 0.000 0.842 340 D CB -0.338 40.535 40.800 0.123 0.000 0.934 340 D HN 0.073 nan 8.370 nan 0.000 0.511 341 Y N 1.735 122.008 120.300 -0.045 0.000 2.377 341 Y HA 0.317 4.790 4.550 -0.128 0.000 0.339 341 Y C 0.967 176.790 175.900 -0.127 0.000 1.011 341 Y CA -2.300 55.739 58.100 -0.102 0.000 1.093 341 Y CB 1.680 40.040 38.460 -0.167 0.000 1.201 341 Y HN -0.113 nan 8.280 nan 0.000 0.455 342 S N 0.555 116.248 115.700 -0.012 0.000 2.580 342 S HA 0.131 4.525 4.470 -0.126 0.000 0.266 342 S C 0.959 175.511 174.600 -0.081 0.000 1.354 342 S CA -0.546 57.626 58.200 -0.047 0.000 1.008 342 S CB 0.748 63.918 63.200 -0.051 0.000 0.898 342 S HN 0.420 nan 8.310 nan 0.000 0.555 343 V N 1.681 121.532 119.914 -0.104 0.000 2.548 343 V HA -0.114 3.930 4.120 -0.126 0.000 0.249 343 V C 2.459 178.481 176.094 -0.119 0.000 1.055 343 V CA 1.535 63.712 62.300 -0.205 0.000 1.065 343 V CB -0.877 30.698 31.823 -0.413 0.000 0.681 343 V HN 0.891 nan 8.190 nan 0.000 0.462 344 V N -1.751 118.149 119.914 -0.024 0.000 2.667 344 V HA -0.080 3.964 4.120 -0.126 0.000 0.252 344 V C 2.238 178.274 176.094 -0.097 0.000 1.065 344 V CA 1.574 63.863 62.300 -0.018 0.000 1.083 344 V CB -0.514 31.312 31.823 0.006 0.000 0.692 344 V HN 0.440 nan 8.190 nan 0.000 0.468 345 L N 0.041 121.181 121.223 -0.139 0.000 2.109 345 L HA 0.131 4.396 4.340 -0.126 0.000 0.207 345 L C 2.235 178.943 176.870 -0.269 0.000 1.086 345 L CA 1.730 56.438 54.840 -0.220 0.000 0.760 345 L CB -0.697 41.182 42.059 -0.299 0.000 0.910 345 L HN 0.276 nan 8.230 nan 0.000 0.437 346 L N -1.060 120.022 121.223 -0.235 0.000 2.083 346 L HA -0.206 4.058 4.340 -0.126 0.000 0.209 346 L C 2.406 179.115 176.870 -0.269 0.000 1.083 346 L CA 1.157 55.816 54.840 -0.303 0.000 0.752 346 L CB -0.437 41.471 42.059 -0.252 0.000 0.899 346 L HN 0.285 nan 8.230 nan 0.000 0.433 347 L N -1.007 120.109 121.223 -0.178 0.000 2.376 347 L HA -0.107 4.157 4.340 -0.126 0.000 0.219 347 L C 2.627 179.432 176.870 -0.109 0.000 1.133 347 L CA 0.613 55.387 54.840 -0.111 0.000 0.816 347 L CB -0.270 41.757 42.059 -0.053 0.000 0.933 347 L HN 0.185 nan 8.230 nan 0.000 0.449 348 R N -0.269 120.139 120.500 -0.154 0.000 2.057 348 R HA -0.004 4.260 4.340 -0.126 0.000 0.224 348 R C 2.260 178.464 176.300 -0.161 0.000 1.136 348 R CA 0.883 56.902 56.100 -0.136 0.000 0.968 348 R CB -0.184 30.028 30.300 -0.147 0.000 0.863 348 R HN 0.229 nan 8.270 nan 0.000 0.433 349 L N 0.340 121.366 121.223 -0.328 0.000 2.012 349 L HA -0.201 4.063 4.340 -0.126 0.000 0.210 349 L C 2.694 179.434 176.870 -0.216 0.000 1.073 349 L CA 1.459 55.970 54.840 -0.547 0.000 0.748 349 L CB -0.742 40.590 42.059 -1.212 0.000 0.891 349 L HN 0.271 nan 8.230 nan 0.000 0.431 350 A N 0.283 123.034 122.820 -0.115 0.000 1.917 350 A HA -0.287 3.957 4.320 -0.126 0.000 0.219 350 A C 2.324 179.939 177.584 0.053 0.000 1.182 350 A CA 2.272 54.361 52.037 0.087 0.000 0.633 350 A CB -0.472 18.574 19.000 0.077 0.000 0.819 350 A HN 0.252 nan 8.150 nan 0.000 0.448 351 K N -0.602 119.806 120.400 0.013 0.000 2.148 351 K HA -0.044 4.200 4.320 -0.126 0.000 0.204 351 K C 1.891 178.510 176.600 0.032 0.000 1.050 351 K CA 2.039 58.337 56.287 0.019 0.000 0.942 351 K CB -0.815 31.683 32.500 -0.002 0.000 0.724 351 K HN 0.396 nan 8.250 nan 0.000 0.446 352 T N -0.086 114.510 114.554 0.070 0.000 2.904 352 T HA -0.097 4.177 4.350 -0.126 0.000 0.267 352 T C 1.195 175.980 174.700 0.142 0.000 1.059 352 T CA 1.113 63.290 62.100 0.128 0.000 1.137 352 T CB -0.422 68.598 68.868 0.254 0.000 0.879 352 T HN 0.265 nan 8.240 nan 0.000 0.467 353 Y N 2.083 122.381 120.300 -0.004 0.000 2.163 353 Y HA -0.068 4.405 4.550 -0.127 0.000 0.288 353 Y C 2.438 178.194 175.900 -0.240 0.000 1.136 353 Y CA 1.621 59.610 58.100 -0.186 0.000 1.147 353 Y CB -0.426 37.652 38.460 -0.637 0.000 0.987 353 Y HN 0.282 nan 8.280 nan 0.000 0.509 354 E N -0.725 119.338 120.200 -0.228 0.000 2.012 354 E HA -0.231 4.043 4.350 -0.126 0.000 0.197 354 E C 2.007 178.478 176.600 -0.214 0.000 1.007 354 E CA 2.372 58.614 56.400 -0.263 0.000 0.816 354 E CB -0.421 29.263 29.700 -0.027 0.000 0.762 354 E HN 0.425 nan 8.360 nan 0.000 0.451 355 T N 0.197 114.697 114.554 -0.090 0.000 2.760 355 T HA -0.188 4.087 4.350 -0.126 0.000 0.269 355 T C 1.789 176.433 174.700 -0.093 0.000 1.047 355 T CA 1.814 63.881 62.100 -0.055 0.000 1.139 355 T CB -0.477 68.379 68.868 -0.020 0.000 0.855 355 T HN 0.304 nan 8.240 nan 0.000 0.471 356 T N 1.956 116.420 114.554 -0.150 0.000 2.770 356 T HA 0.120 4.394 4.350 -0.126 0.000 0.263 356 T C 1.986 176.557 174.700 -0.215 0.000 1.039 356 T CA 0.729 62.739 62.100 -0.150 0.000 1.142 356 T CB -0.326 68.462 68.868 -0.134 0.000 0.868 356 T HN 0.287 nan 8.240 nan 0.000 0.435 357 L N 0.858 121.814 121.223 -0.445 0.000 2.083 357 L HA -0.085 4.180 4.340 -0.126 0.000 0.209 357 L C 2.903 179.624 176.870 -0.248 0.000 1.083 357 L CA 1.092 55.613 54.840 -0.532 0.000 0.752 357 L CB -0.594 40.772 42.059 -1.154 0.000 0.899 357 L HN 0.184 nan 8.230 nan 0.000 0.433 358 E N 0.664 120.776 120.200 -0.147 0.000 2.033 358 E HA -0.250 4.024 4.350 -0.126 0.000 0.199 358 E C 2.344 178.959 176.600 0.026 0.000 1.011 358 E CA 2.113 58.541 56.400 0.045 0.000 0.815 358 E CB -0.204 29.530 29.700 0.058 0.000 0.755 358 E HN 0.449 nan 8.360 nan 0.000 0.451 359 K N -0.111 120.287 120.400 -0.004 0.000 2.155 359 K HA 0.016 4.260 4.320 -0.126 0.000 0.203 359 K C 2.370 178.979 176.600 0.015 0.000 1.052 359 K CA 1.103 57.395 56.287 0.007 0.000 0.948 359 K CB -1.240 31.260 32.500 -0.001 0.000 0.728 359 K HN 0.251 nan 8.250 nan 0.000 0.448 360 c N 0.526 119.131 118.600 0.009 0.000 2.466 360 c HA 0.092 4.587 4.570 -0.126 0.000 0.278 360 c C 2.954 177.092 174.090 0.079 0.000 1.288 360 c CA 0.678 57.038 56.329 0.052 0.000 1.722 360 c CB -1.256 41.312 42.510 0.096 0.000 2.017 360 c HN 0.779 nan 8.230 nan 0.000 0.488 361 c N 0.782 119.415 118.600 0.055 0.000 2.437 361 c HA 0.084 4.579 4.570 -0.126 0.000 0.283 361 c C 2.289 176.420 174.090 0.068 0.000 1.424 361 c CA 0.921 57.295 56.329 0.075 0.000 1.782 361 c CB -1.687 40.874 42.510 0.085 0.000 1.833 361 c HN 0.690 nan 8.230 nan 0.000 0.532 362 A N -0.172 122.680 122.820 0.054 0.000 2.577 362 A HA 0.680 4.924 4.320 -0.126 0.000 0.280 362 A C 0.740 178.345 177.584 0.036 0.000 1.331 362 A CA 0.442 52.504 52.037 0.042 0.000 0.935 362 A CB -0.346 18.676 19.000 0.036 0.000 1.082 362 A HN 0.466 nan 8.150 nan 0.000 0.525 363 A N -1.275 121.571 122.820 0.043 0.000 2.282 363 A HA 0.744 4.988 4.320 -0.126 0.000 0.324 363 A C 1.373 178.977 177.584 0.033 0.000 1.119 363 A CA 0.096 52.154 52.037 0.034 0.000 0.880 363 A CB 0.368 19.389 19.000 0.036 0.000 1.294 363 A HN 1.029 nan 8.150 nan 0.000 0.493 364 A N -0.947 121.887 122.820 0.023 0.000 2.067 364 A HA 0.218 4.462 4.320 -0.126 0.000 0.219 364 A C 0.442 178.040 177.584 0.024 0.000 1.158 364 A CA 2.088 54.137 52.037 0.020 0.000 0.661 364 A CB -0.292 18.715 19.000 0.012 0.000 0.801 364 A HN 0.786 nan 8.150 nan 0.000 0.452 365 D N -2.955 117.462 120.400 0.028 0.000 2.318 365 D HA 0.349 4.913 4.640 -0.126 0.000 0.233 365 D C -2.320 174.003 176.300 0.038 0.000 1.348 365 D CA -1.084 52.935 54.000 0.032 0.000 0.983 365 D CB 1.216 42.025 40.800 0.015 0.000 1.416 365 D HN -0.143 nan 8.370 nan 0.000 0.558 366 P HA -0.168 nan 4.420 nan 0.000 0.210 366 P C 1.145 178.385 177.300 -0.100 0.000 1.185 366 P CA 1.126 64.326 63.100 0.167 0.000 0.924 366 P CB 0.060 31.958 31.700 0.329 0.000 0.786 367 H N -0.511 118.409 119.070 -0.251 0.000 2.407 367 H HA -0.244 4.237 4.556 -0.126 0.000 0.293 367 H C 1.981 176.944 175.328 -0.609 0.000 1.122 367 H CA 2.859 58.487 56.048 -0.699 0.000 1.232 367 H CB -0.456 29.158 29.762 -0.245 0.000 1.361 367 H HN 0.169 nan 8.280 nan 0.000 0.498 368 E N -0.493 119.569 120.200 -0.229 0.000 2.112 368 E HA -0.104 4.171 4.350 -0.126 0.000 0.190 368 E C 2.542 179.020 176.600 -0.204 0.000 0.979 368 E CA 0.853 57.151 56.400 -0.170 0.000 0.814 368 E CB -1.302 28.363 29.700 -0.059 0.000 0.762 368 E HN 0.639 nan 8.360 nan 0.000 0.460 369 c N 0.352 118.845 118.600 -0.178 0.000 2.473 369 c HA -0.042 4.453 4.570 -0.126 0.000 0.279 369 c C 2.585 176.624 174.090 -0.085 0.000 1.250 369 c CA 1.394 57.671 56.329 -0.087 0.000 1.713 369 c CB -1.135 41.377 42.510 0.004 0.000 2.066 369 c HN 0.832 nan 8.230 nan 0.000 0.474 370 Y N 0.991 121.245 120.300 -0.078 0.000 2.471 370 Y HA 0.536 5.010 4.550 -0.126 0.000 0.286 370 Y C 1.821 177.663 175.900 -0.097 0.000 1.188 370 Y CA 0.429 58.480 58.100 -0.081 0.000 1.286 370 Y CB -1.214 37.200 38.460 -0.076 0.000 1.072 370 Y HN 0.219 nan 8.280 nan 0.000 0.517 371 A N 1.443 123.997 122.820 -0.443 0.000 2.019 371 A HA -0.079 4.165 4.320 -0.126 0.000 0.219 371 A C 1.615 179.109 177.584 -0.150 0.000 1.164 371 A CA 1.081 52.875 52.037 -0.404 0.000 0.644 371 A CB -0.336 18.390 19.000 -0.458 0.000 0.805 371 A HN 0.503 nan 8.150 nan 0.000 0.449 372 K N -0.410 119.941 120.400 -0.082 0.000 2.861 372 K HA 0.293 4.537 4.320 -0.126 0.000 0.210 372 K C 0.807 177.403 176.600 -0.008 0.000 1.112 372 K CA -0.054 56.214 56.287 -0.033 0.000 1.076 372 K CB 0.792 33.269 32.500 -0.038 0.000 0.853 372 K HN 0.158 nan 8.250 nan 0.000 0.463 373 V N 0.182 120.117 119.914 0.035 0.000 2.343 373 V HA -0.230 3.814 4.120 -0.126 0.000 0.247 373 V C 1.462 177.363 176.094 -0.321 0.000 1.051 373 V CA 1.803 64.058 62.300 -0.075 0.000 1.036 373 V CB -0.316 31.542 31.823 0.059 0.000 0.654 373 V HN 0.342 nan 8.190 nan 0.000 0.451 374 F N 1.019 120.726 119.950 -0.404 0.000 2.307 374 F HA -0.143 4.309 4.527 -0.124 0.000 0.301 374 F C 2.091 177.789 175.800 -0.169 0.000 1.076 374 F CA 1.888 59.687 58.000 -0.336 0.000 1.383 374 F CB -1.007 38.007 39.000 0.023 0.000 1.055 374 F HN 0.316 nan 8.300 nan 0.000 0.526 375 D N -0.177 120.247 120.400 0.041 0.000 2.178 375 D HA -0.146 4.418 4.640 -0.126 0.000 0.201 375 D C 2.017 178.317 176.300 0.000 0.000 0.980 375 D CA 1.158 55.179 54.000 0.034 0.000 0.842 375 D CB -0.080 40.728 40.800 0.014 0.000 0.948 375 D HN 0.356 nan 8.370 nan 0.000 0.472 376 E N -0.944 119.204 120.200 -0.087 0.000 2.299 376 E HA -0.068 4.206 4.350 -0.126 0.000 0.193 376 E C 1.389 178.038 176.600 0.083 0.000 0.998 376 E CA 0.131 56.508 56.400 -0.039 0.000 0.851 376 E CB 0.065 29.720 29.700 -0.075 0.000 0.795 376 E HN 0.320 nan 8.360 nan 0.000 0.492 377 F N 1.807 121.747 119.950 -0.015 0.000 2.186 377 F HA -0.137 4.316 4.527 -0.124 0.000 0.299 377 F C 2.826 178.587 175.800 -0.064 0.000 1.090 377 F CA 1.146 59.097 58.000 -0.081 0.000 1.307 377 F CB -1.313 37.596 39.000 -0.150 0.000 1.019 377 F HN -0.005 nan 8.300 nan 0.000 0.489 378 K N 0.763 121.269 120.400 0.178 0.000 2.032 378 K HA -0.225 4.019 4.320 -0.126 0.000 0.218 378 K C -0.029 176.595 176.600 0.039 0.000 1.054 378 K CA 2.333 58.678 56.287 0.097 0.000 0.941 378 K CB -2.623 29.930 32.500 0.089 0.000 0.720 378 K HN 0.219 nan 8.250 nan 0.000 0.449 379 P HA -0.138 nan 4.420 nan 0.000 0.215 379 P C 1.510 178.797 177.300 -0.021 0.000 1.157 379 P CA 1.167 64.271 63.100 0.007 0.000 0.874 379 P CB -0.081 31.627 31.700 0.013 0.000 0.790 380 L N -1.463 119.746 121.223 -0.023 0.000 2.046 380 L HA -0.148 4.117 4.340 -0.126 0.000 0.208 380 L C 2.336 179.113 176.870 -0.156 0.000 1.077 380 L CA 1.315 56.108 54.840 -0.079 0.000 0.747 380 L CB -1.071 40.940 42.059 -0.080 0.000 0.896 380 L HN -0.115 nan 8.230 nan 0.000 0.432 381 V N -0.530 119.276 119.914 -0.180 0.000 2.379 381 V HA -0.218 3.827 4.120 -0.126 0.000 0.245 381 V C 2.350 178.326 176.094 -0.197 0.000 1.044 381 V CA 1.523 63.643 62.300 -0.301 0.000 1.036 381 V CB -0.412 31.238 31.823 -0.289 0.000 0.664 381 V HN 0.410 nan 8.190 nan 0.000 0.453 382 E N -0.155 119.985 120.200 -0.101 0.000 2.058 382 E HA -0.248 4.026 4.350 -0.126 0.000 0.194 382 E C 2.352 178.915 176.600 -0.061 0.000 0.997 382 E CA 1.329 57.693 56.400 -0.060 0.000 0.801 382 E CB -0.166 29.519 29.700 -0.025 0.000 0.746 382 E HN 0.548 nan 8.360 nan 0.000 0.450 383 E N 0.132 120.296 120.200 -0.061 0.000 2.055 383 E HA -0.208 4.066 4.350 -0.126 0.000 0.209 383 E C -0.632 175.938 176.600 -0.051 0.000 1.036 383 E CA 2.041 58.412 56.400 -0.048 0.000 0.849 383 E CB -1.004 28.666 29.700 -0.049 0.000 0.767 383 E HN 0.153 nan 8.360 nan 0.000 0.461 384 P HA -0.160 nan 4.420 nan 0.000 0.215 384 P C 1.396 178.663 177.300 -0.054 0.000 1.157 384 P CA 1.794 64.852 63.100 -0.070 0.000 0.874 384 P CB -0.149 31.480 31.700 -0.118 0.000 0.790 385 Q N -0.910 118.848 119.800 -0.071 0.000 2.045 385 Q HA -0.220 4.044 4.340 -0.126 0.000 0.206 385 Q C 2.016 178.004 176.000 -0.019 0.000 0.991 385 Q CA 1.529 57.305 55.803 -0.045 0.000 0.851 385 Q CB -0.681 28.029 28.738 -0.046 0.000 0.911 385 Q HN 0.329 nan 8.270 nan 0.000 0.418 386 N N 0.678 119.369 118.700 -0.016 0.000 2.058 386 N HA -0.152 4.512 4.740 -0.126 0.000 0.191 386 N C 1.848 177.365 175.510 0.011 0.000 1.037 386 N CA 0.842 53.892 53.050 -0.000 0.000 0.848 386 N CB -0.501 37.986 38.487 -0.000 0.000 1.021 386 N HN 0.100 nan 8.380 nan 0.000 0.422 387 L N 1.591 122.821 121.223 0.011 0.000 1.978 387 L HA -0.182 4.082 4.340 -0.126 0.000 0.218 387 L C 2.051 178.946 176.870 0.043 0.000 1.075 387 L CA 1.458 56.317 54.840 0.032 0.000 0.767 387 L CB -0.575 41.502 42.059 0.030 0.000 0.890 387 L HN 0.097 nan 8.230 nan 0.000 0.434 388 I N -0.516 120.068 120.570 0.024 0.000 2.127 388 I HA -0.356 3.738 4.170 -0.126 0.000 0.241 388 I C 2.756 178.880 176.117 0.013 0.000 1.075 388 I CA 1.715 63.025 61.300 0.017 0.000 1.334 388 I CB -1.602 36.395 38.000 -0.003 0.000 1.040 388 I HN 0.277 nan 8.210 nan 0.000 0.405 389 K N 0.733 121.139 120.400 0.010 0.000 2.063 389 K HA -0.254 3.990 4.320 -0.126 0.000 0.208 389 K C 2.456 179.070 176.600 0.024 0.000 1.048 389 K CA 2.007 58.300 56.287 0.011 0.000 0.928 389 K CB -0.863 31.643 32.500 0.010 0.000 0.713 389 K HN 0.681 nan 8.250 nan 0.000 0.442 390 Q N 0.654 120.477 119.800 0.040 0.000 2.020 390 Q HA 0.009 4.273 4.340 -0.126 0.000 0.198 390 Q C 2.079 178.136 176.000 0.096 0.000 0.974 390 Q CA 1.709 57.548 55.803 0.061 0.000 0.829 390 Q CB -0.964 27.811 28.738 0.062 0.000 0.894 390 Q HN 0.737 nan 8.270 nan 0.000 0.433 391 N N -0.370 118.404 118.700 0.123 0.000 2.443 391 N HA -0.082 4.582 4.740 -0.126 0.000 0.184 391 N C 1.688 177.226 175.510 0.047 0.000 1.037 391 N CA 1.241 54.422 53.050 0.218 0.000 0.896 391 N CB -0.203 38.453 38.487 0.281 0.000 0.959 391 N HN 0.606 nan 8.380 nan 0.000 0.442 392 c N 0.533 119.126 118.600 -0.012 0.000 2.504 392 c HA 0.113 4.607 4.570 -0.126 0.000 0.279 392 c C 2.429 176.516 174.090 -0.005 0.000 1.358 392 c CA -0.131 56.148 56.329 -0.084 0.000 1.747 392 c CB -0.295 42.165 42.510 -0.084 0.000 2.037 392 c HN 0.452 nan 8.230 nan 0.000 0.503 393 E N 0.570 120.784 120.200 0.025 0.000 2.072 393 E HA -0.207 4.068 4.350 -0.126 0.000 0.191 393 E C 1.962 178.592 176.600 0.050 0.000 0.985 393 E CA 0.963 57.385 56.400 0.037 0.000 0.801 393 E CB -0.229 29.494 29.700 0.039 0.000 0.750 393 E HN 0.426 nan 8.360 nan 0.000 0.452 394 L N 0.736 122.012 121.223 0.089 0.000 1.994 394 L HA -0.167 4.098 4.340 -0.126 0.000 0.208 394 L C 2.196 179.112 176.870 0.078 0.000 1.071 394 L CA 1.576 56.505 54.840 0.148 0.000 0.745 394 L CB -0.714 41.541 42.059 0.325 0.000 0.892 394 L HN 0.092 nan 8.230 nan 0.000 0.431 395 F N 0.699 120.432 119.950 -0.363 0.000 2.087 395 F HA -0.319 4.133 4.527 -0.125 0.000 0.299 395 F C 2.293 177.940 175.800 -0.255 0.000 1.100 395 F CA 2.324 59.902 58.000 -0.703 0.000 1.226 395 F CB -0.307 38.036 39.000 -1.095 0.000 0.983 395 F HN 0.283 nan 8.300 nan 0.000 0.479 396 E N -0.156 120.042 120.200 -0.002 0.000 2.058 396 E HA -0.292 3.982 4.350 -0.126 0.000 0.194 396 E C 2.222 178.756 176.600 -0.112 0.000 0.997 396 E CA 1.591 57.971 56.400 -0.033 0.000 0.801 396 E CB -0.418 29.310 29.700 0.046 0.000 0.746 396 E HN 0.629 nan 8.360 nan 0.000 0.450 397 Q N 0.461 120.226 119.800 -0.058 0.000 1.927 397 Q HA -0.206 4.059 4.340 -0.126 0.000 0.210 397 Q C 2.442 178.401 176.000 -0.068 0.000 1.001 397 Q CA 1.731 57.511 55.803 -0.039 0.000 0.862 397 Q CB -0.274 28.466 28.738 0.002 0.000 0.934 397 Q HN 0.302 nan 8.270 nan 0.000 0.420 398 L N -0.705 120.479 121.223 -0.064 0.000 2.201 398 L HA 0.076 4.340 4.340 -0.126 0.000 0.212 398 L C 1.232 178.019 176.870 -0.139 0.000 1.105 398 L CA 0.504 55.308 54.840 -0.060 0.000 0.775 398 L CB -1.008 41.060 42.059 0.016 0.000 0.913 398 L HN 0.438 nan 8.230 nan 0.000 0.440 399 G N 0.457 109.052 108.800 -0.341 0.000 2.756 399 G HA2 -0.270 3.615 3.960 -0.126 0.000 0.678 399 G HA3 -0.270 3.615 3.960 -0.126 0.000 0.678 399 G C 0.278 174.857 174.900 -0.535 0.000 1.349 399 G CA 0.119 44.938 45.100 -0.468 0.000 0.847 399 G HN 0.273 nan 8.290 nan 0.000 0.548 400 E N -0.791 119.146 120.200 -0.438 0.000 2.012 400 E HA -0.234 4.041 4.350 -0.126 0.000 0.197 400 E C 2.091 178.773 176.600 0.137 0.000 1.007 400 E CA 2.103 58.464 56.400 -0.065 0.000 0.816 400 E CB -0.253 29.530 29.700 0.137 0.000 0.762 400 E HN 0.724 nan 8.360 nan 0.000 0.451 401 Y N 1.173 121.476 120.300 0.004 0.000 2.040 401 Y HA -0.337 4.136 4.550 -0.128 0.000 0.275 401 Y C 2.520 178.435 175.900 0.026 0.000 1.171 401 Y CA 3.410 61.523 58.100 0.021 0.000 1.123 401 Y CB -1.025 37.435 38.460 -0.001 0.000 0.963 401 Y HN 0.117 nan 8.280 nan 0.000 0.493 402 K N -0.156 120.165 120.400 -0.131 0.000 2.103 402 K HA -0.216 4.028 4.320 -0.126 0.000 0.207 402 K C 2.112 178.650 176.600 -0.104 0.000 1.048 402 K CA 1.688 57.847 56.287 -0.214 0.000 0.930 402 K CB -1.866 30.592 32.500 -0.069 0.000 0.716 402 K HN 0.564 nan 8.250 nan 0.000 0.444 403 F N 1.834 121.696 119.950 -0.147 0.000 2.186 403 F HA -0.108 4.341 4.527 -0.131 0.000 0.299 403 F C 2.524 178.308 175.800 -0.026 0.000 1.090 403 F CA 1.704 59.671 58.000 -0.055 0.000 1.307 403 F CB -0.001 39.007 39.000 0.014 0.000 1.019 403 F HN 0.367 nan 8.300 nan 0.000 0.489 404 Q N -0.090 119.690 119.800 -0.032 0.000 2.050 404 Q HA -0.206 4.058 4.340 -0.126 0.000 0.202 404 Q C 1.932 177.811 176.000 -0.201 0.000 0.980 404 Q CA 1.520 57.261 55.803 -0.104 0.000 0.840 404 Q CB -0.409 28.333 28.738 0.006 0.000 0.898 404 Q HN 0.402 nan 8.270 nan 0.000 0.424 405 N N 0.779 119.322 118.700 -0.261 0.000 2.205 405 N HA -0.153 4.511 4.740 -0.126 0.000 0.186 405 N C 1.648 177.043 175.510 -0.191 0.000 1.015 405 N CA 1.302 54.204 53.050 -0.247 0.000 0.862 405 N CB -0.307 37.972 38.487 -0.347 0.000 0.986 405 N HN 0.242 nan 8.380 nan 0.000 0.429 406 A N 1.544 124.232 122.820 -0.221 0.000 1.858 406 A HA -0.060 4.184 4.320 -0.126 0.000 0.216 406 A C 2.352 179.824 177.584 -0.187 0.000 1.190 406 A CA 0.971 52.889 52.037 -0.197 0.000 0.617 406 A CB -0.825 18.031 19.000 -0.241 0.000 0.827 406 A HN 0.221 nan 8.150 nan 0.000 0.443 407 L N -0.634 120.421 121.223 -0.279 0.000 2.191 407 L HA -0.150 4.115 4.340 -0.126 0.000 0.212 407 L C 2.525 179.378 176.870 -0.029 0.000 1.103 407 L CA 0.570 55.319 54.840 -0.152 0.000 0.769 407 L CB -0.525 41.363 42.059 -0.284 0.000 0.908 407 L HN 0.388 nan 8.230 nan 0.000 0.438 408 L N -0.850 120.323 121.223 -0.084 0.000 1.988 408 L HA -0.188 4.076 4.340 -0.126 0.000 0.207 408 L C 2.567 179.436 176.870 -0.002 0.000 1.071 408 L CA 1.089 55.902 54.840 -0.045 0.000 0.744 408 L CB -0.332 41.688 42.059 -0.066 0.000 0.893 408 L HN 0.025 nan 8.230 nan 0.000 0.433 409 V N -0.394 119.504 119.914 -0.027 0.000 2.252 409 V HA -0.365 3.679 4.120 -0.126 0.000 0.249 409 V C 2.856 178.949 176.094 -0.003 0.000 1.056 409 V CA 2.226 64.517 62.300 -0.016 0.000 1.022 409 V CB -0.903 30.901 31.823 -0.031 0.000 0.641 409 V HN 0.422 nan 8.190 nan 0.000 0.445 410 R N -1.205 119.294 120.500 -0.002 0.000 2.097 410 R HA -0.235 4.029 4.340 -0.126 0.000 0.236 410 R C 2.186 178.458 176.300 -0.046 0.000 1.135 410 R CA 2.493 58.579 56.100 -0.023 0.000 0.934 410 R CB -1.300 28.989 30.300 -0.018 0.000 0.846 410 R HN 0.736 nan 8.270 nan 0.000 0.431 411 Y N 0.840 121.093 120.300 -0.079 0.000 2.293 411 Y HA -0.043 4.435 4.550 -0.121 0.000 0.291 411 Y C 2.848 178.705 175.900 -0.071 0.000 1.137 411 Y CA 2.050 60.105 58.100 -0.076 0.000 1.202 411 Y CB -0.476 37.919 38.460 -0.108 0.000 0.990 411 Y HN 0.301 nan 8.280 nan 0.000 0.537 412 T N -0.359 114.232 114.554 0.062 0.000 2.915 412 T HA -0.134 4.140 4.350 -0.126 0.000 0.269 412 T C 1.762 176.428 174.700 -0.057 0.000 1.071 412 T CA 1.191 63.287 62.100 -0.007 0.000 1.132 412 T CB -0.088 68.776 68.868 -0.007 0.000 0.878 412 T HN 0.307 nan 8.240 nan 0.000 0.479 413 K N 0.936 121.312 120.400 -0.041 0.000 2.155 413 K HA 0.025 4.269 4.320 -0.126 0.000 0.203 413 K C 2.344 178.905 176.600 -0.066 0.000 1.052 413 K CA 0.846 57.106 56.287 -0.044 0.000 0.948 413 K CB 0.013 32.495 32.500 -0.030 0.000 0.728 413 K HN 0.284 nan 8.250 nan 0.000 0.448 414 K N 0.656 121.002 120.400 -0.089 0.000 2.001 414 K HA -0.063 4.181 4.320 -0.126 0.000 0.208 414 K C 0.970 177.532 176.600 -0.062 0.000 1.048 414 K CA 1.286 57.517 56.287 -0.094 0.000 0.932 414 K CB 0.213 32.613 32.500 -0.167 0.000 0.715 414 K HN 0.047 nan 8.250 nan 0.000 0.437 415 V N -1.571 118.310 119.914 -0.055 0.000 2.383 415 V HA 0.246 4.290 4.120 -0.126 0.000 0.261 415 V C -2.688 173.330 176.094 -0.127 0.000 0.987 415 V CA -1.624 60.640 62.300 -0.060 0.000 0.853 415 V CB 1.257 33.086 31.823 0.010 0.000 1.095 415 V HN -0.075 nan 8.190 nan 0.000 0.461 416 P HA -0.069 nan 4.420 nan 0.000 0.220 416 P C 1.403 178.459 177.300 -0.405 0.000 1.148 416 P CA 1.264 64.049 63.100 -0.525 0.000 0.803 416 P CB 0.328 31.247 31.700 -1.303 0.000 0.782 417 Q N -0.608 119.048 119.800 -0.240 0.000 2.046 417 Q HA -0.046 4.218 4.340 -0.126 0.000 0.200 417 Q C 0.747 176.747 176.000 0.000 0.000 0.975 417 Q CA 0.582 56.349 55.803 -0.060 0.000 0.836 417 Q CB -1.579 27.176 28.738 0.029 0.000 0.896 417 Q HN 0.056 nan 8.270 nan 0.000 0.428 418 V N 2.443 122.368 119.914 0.018 0.000 2.902 418 V HA -0.131 3.913 4.120 -0.126 0.000 0.297 418 V C 0.491 176.604 176.094 0.032 0.000 1.230 418 V CA 0.382 62.719 62.300 0.063 0.000 1.344 418 V CB 0.045 31.897 31.823 0.047 0.000 0.889 418 V HN 0.447 nan 8.190 nan 0.000 0.515 419 S N 2.994 118.720 115.700 0.043 0.000 2.533 419 S HA 0.054 4.448 4.470 -0.126 0.000 0.282 419 S C 1.241 175.851 174.600 0.017 0.000 1.304 419 S CA -0.023 58.193 58.200 0.026 0.000 1.063 419 S CB 0.948 64.160 63.200 0.021 0.000 0.881 419 S HN 0.808 nan 8.310 nan 0.000 0.493 420 T N 4.421 118.986 114.554 0.019 0.000 2.624 420 T HA -0.100 4.174 4.350 -0.126 0.000 0.268 420 T C -0.842 173.864 174.700 0.010 0.000 1.041 420 T CA 1.981 64.091 62.100 0.017 0.000 1.159 420 T CB -1.729 67.156 68.868 0.029 0.000 0.863 420 T HN 0.569 nan 8.240 nan 0.000 0.434 421 P HA -0.066 nan 4.420 nan 0.000 0.216 421 P C 1.542 178.839 177.300 -0.005 0.000 1.150 421 P CA 1.268 64.372 63.100 0.006 0.000 0.843 421 P CB -0.246 31.458 31.700 0.007 0.000 0.787 422 T N -0.892 113.659 114.554 -0.006 0.000 2.851 422 T HA -0.003 4.271 4.350 -0.126 0.000 0.262 422 T C 1.740 176.418 174.700 -0.038 0.000 1.043 422 T CA 0.832 62.922 62.100 -0.017 0.000 1.140 422 T CB -0.765 68.103 68.868 -0.000 0.000 0.872 422 T HN 0.060 nan 8.240 nan 0.000 0.446 423 L N 0.926 122.132 121.223 -0.029 0.000 2.083 423 L HA -0.078 4.187 4.340 -0.126 0.000 0.209 423 L C 2.651 179.485 176.870 -0.060 0.000 1.083 423 L CA 0.882 55.693 54.840 -0.047 0.000 0.752 423 L CB -0.726 41.321 42.059 -0.020 0.000 0.899 423 L HN 0.156 nan 8.230 nan 0.000 0.433 424 V N -0.053 119.842 119.914 -0.033 0.000 2.295 424 V HA -0.283 3.761 4.120 -0.126 0.000 0.246 424 V C 2.495 178.570 176.094 -0.032 0.000 1.049 424 V CA 2.063 64.348 62.300 -0.024 0.000 1.024 424 V CB -0.463 31.359 31.823 -0.001 0.000 0.648 424 V HN 0.439 nan 8.190 nan 0.000 0.447 425 E N 0.547 120.727 120.200 -0.034 0.000 2.031 425 E HA -0.176 4.098 4.350 -0.126 0.000 0.193 425 E C 2.062 178.622 176.600 -0.066 0.000 0.994 425 E CA 1.905 58.285 56.400 -0.034 0.000 0.800 425 E CB -0.491 29.190 29.700 -0.031 0.000 0.752 425 E HN 0.292 nan 8.360 nan 0.000 0.447 426 V N 0.427 120.276 119.914 -0.109 0.000 2.287 426 V HA -0.280 3.764 4.120 -0.126 0.000 0.248 426 V C 2.437 178.397 176.094 -0.224 0.000 1.053 426 V CA 2.089 64.280 62.300 -0.181 0.000 1.027 426 V CB -0.770 30.910 31.823 -0.238 0.000 0.646 426 V HN 0.268 nan 8.190 nan 0.000 0.447 427 S N -0.661 114.903 115.700 -0.226 0.000 2.382 427 S HA -0.184 4.210 4.470 -0.126 0.000 0.228 427 S C 2.057 176.586 174.600 -0.118 0.000 1.027 427 S CA 1.433 59.489 58.200 -0.240 0.000 0.991 427 S CB -0.290 62.798 63.200 -0.186 0.000 0.823 427 S HN 0.555 nan 8.310 nan 0.000 0.469 428 R N 1.517 121.985 120.500 -0.053 0.000 2.062 428 R HA 0.015 4.279 4.340 -0.126 0.000 0.231 428 R C 2.018 178.351 176.300 0.055 0.000 1.136 428 R CA 1.374 57.486 56.100 0.021 0.000 0.948 428 R CB -0.530 29.793 30.300 0.038 0.000 0.845 428 R HN 0.371 nan 8.270 nan 0.000 0.430 429 N N 1.314 120.032 118.700 0.030 0.000 2.104 429 N HA -0.169 4.495 4.740 -0.126 0.000 0.190 429 N C 1.987 177.583 175.510 0.144 0.000 1.024 429 N CA 1.214 54.318 53.050 0.091 0.000 0.853 429 N CB -0.390 38.105 38.487 0.013 0.000 1.008 429 N HN 0.202 nan 8.380 nan 0.000 0.424 430 L N 0.406 121.634 121.223 0.009 0.000 2.127 430 L HA -0.113 4.152 4.340 -0.126 0.000 0.211 430 L C 2.359 179.331 176.870 0.170 0.000 1.089 430 L CA 1.321 56.170 54.840 0.016 0.000 0.757 430 L CB -0.744 41.192 42.059 -0.205 0.000 0.899 430 L HN 0.250 nan 8.230 nan 0.000 0.434 431 G N -0.383 108.524 108.800 0.177 0.000 2.448 431 G HA2 -0.172 3.712 3.960 -0.126 0.000 0.218 431 G HA3 -0.172 3.712 3.960 -0.126 0.000 0.218 431 G C 1.576 176.686 174.900 0.349 0.000 1.135 431 G CA 0.082 45.406 45.100 0.373 0.000 0.784 431 G HN 0.319 nan 8.290 nan 0.000 0.543 432 K N 0.390 120.925 120.400 0.224 0.000 2.360 432 K HA 0.005 4.249 4.320 -0.126 0.000 0.201 432 K C 2.295 178.864 176.600 -0.052 0.000 1.046 432 K CA 0.536 56.891 56.287 0.114 0.000 0.945 432 K CB -0.008 32.553 32.500 0.101 0.000 0.750 432 K HN 0.253 nan 8.250 nan 0.000 0.464 433 V N 0.713 120.637 119.914 0.017 0.000 2.490 433 V HA -0.185 3.860 4.120 -0.126 0.000 0.250 433 V C 2.353 178.247 176.094 -0.333 0.000 1.061 433 V CA 2.083 64.310 62.300 -0.121 0.000 1.064 433 V CB -1.007 30.886 31.823 0.117 0.000 0.670 433 V HN 0.461 nan 8.190 nan 0.000 0.461 434 G N 0.833 109.305 108.800 -0.547 0.000 2.453 434 G HA2 -0.249 3.635 3.960 -0.126 0.000 0.215 434 G HA3 -0.249 3.635 3.960 -0.126 0.000 0.215 434 G C 1.796 175.850 174.900 -1.411 0.000 1.201 434 G CA 1.261 45.407 45.100 -1.590 0.000 0.784 434 G HN 0.596 nan 8.290 nan 0.000 0.545 435 S N 0.289 115.514 115.700 -0.793 0.000 2.399 435 S HA -0.116 4.278 4.470 -0.126 0.000 0.231 435 S C 2.093 176.544 174.600 -0.248 0.000 1.022 435 S CA 1.657 59.725 58.200 -0.219 0.000 0.983 435 S CB -0.200 63.052 63.200 0.086 0.000 0.803 435 S HN 0.381 nan 8.310 nan 0.000 0.480 436 K N 0.754 120.984 120.400 -0.283 0.000 2.021 436 K HA 0.053 4.297 4.320 -0.126 0.000 0.205 436 K C 2.142 178.619 176.600 -0.206 0.000 1.047 436 K CA 1.357 57.497 56.287 -0.245 0.000 0.943 436 K CB -1.049 31.250 32.500 -0.334 0.000 0.725 436 K HN 0.690 nan 8.250 nan 0.000 0.439 437 c N -0.644 117.825 118.600 -0.218 0.000 2.513 437 c HA 0.269 4.763 4.570 -0.126 0.000 0.292 437 c C 2.794 176.813 174.090 -0.118 0.000 1.359 437 c CA 0.019 56.309 56.329 -0.065 0.000 1.778 437 c CB -0.881 41.593 42.510 -0.059 0.000 2.180 437 c HN 0.739 nan 8.230 nan 0.000 0.509 438 c N 1.735 120.168 118.600 -0.278 0.000 2.401 438 c HA -0.096 4.399 4.570 -0.126 0.000 0.286 438 c C 2.700 176.688 174.090 -0.170 0.000 1.332 438 c CA 1.904 58.087 56.329 -0.244 0.000 1.795 438 c CB -1.644 40.627 42.510 -0.398 0.000 1.922 438 c HN 0.739 nan 8.230 nan 0.000 0.520 439 K N -0.162 120.097 120.400 -0.235 0.000 2.589 439 K HA 0.101 4.345 4.320 -0.126 0.000 0.204 439 K C 0.264 176.699 176.600 -0.275 0.000 1.029 439 K CA 0.472 56.622 56.287 -0.227 0.000 1.177 439 K CB -0.624 31.723 32.500 -0.255 0.000 0.902 439 K HN 0.701 nan 8.250 nan 0.000 0.501 440 H N -0.234 118.792 119.070 -0.073 0.000 2.616 440 H HA 0.422 4.901 4.556 -0.129 0.000 0.353 440 H C -2.683 172.619 175.328 -0.043 0.000 1.170 440 H CA -2.530 53.484 56.048 -0.056 0.000 1.212 440 H CB 1.935 31.659 29.762 -0.063 0.000 1.653 440 H HN -0.001 nan 8.280 nan 0.000 0.537 441 P HA 0.055 nan 4.420 nan 0.000 0.275 441 P C 0.478 177.799 177.300 0.036 0.000 1.228 441 P CA -0.123 63.010 63.100 0.054 0.000 0.786 441 P CB 1.021 32.744 31.700 0.039 0.000 0.927 442 E N 2.121 122.335 120.200 0.022 0.000 2.253 442 E HA -0.264 4.010 4.350 -0.126 0.000 0.202 442 E C 1.864 178.473 176.600 0.014 0.000 1.014 442 E CA 2.039 58.449 56.400 0.017 0.000 0.823 442 E CB -0.595 29.115 29.700 0.018 0.000 0.736 442 E HN 0.510 nan 8.360 nan 0.000 0.478 443 A N 0.224 123.049 122.820 0.008 0.000 2.121 443 A HA -0.145 4.099 4.320 -0.126 0.000 0.218 443 A C 1.460 179.027 177.584 -0.028 0.000 1.154 443 A CA 1.243 53.279 52.037 -0.000 0.000 0.679 443 A CB 0.069 19.062 19.000 -0.013 0.000 0.795 443 A HN 0.109 nan 8.150 nan 0.000 0.458 444 K N -1.769 118.596 120.400 -0.058 0.000 2.477 444 K HA 0.227 4.471 4.320 -0.126 0.000 0.208 444 K C 1.500 178.018 176.600 -0.137 0.000 1.117 444 K CA -0.292 55.910 56.287 -0.141 0.000 1.039 444 K CB 0.581 32.918 32.500 -0.272 0.000 0.937 444 K HN 0.239 nan 8.250 nan 0.000 0.570 445 R N 0.895 121.369 120.500 -0.043 0.000 2.073 445 R HA 0.114 4.378 4.340 -0.126 0.000 0.229 445 R C 2.233 178.520 176.300 -0.022 0.000 1.120 445 R CA 1.157 57.251 56.100 -0.010 0.000 0.967 445 R CB -0.007 30.298 30.300 0.008 0.000 0.862 445 R HN 0.147 nan 8.270 nan 0.000 0.436 446 M N 1.134 120.721 119.600 -0.022 0.000 2.059 446 M HA -0.091 4.314 4.480 -0.126 0.000 0.259 446 M C -0.869 175.415 176.300 -0.025 0.000 1.072 446 M CA 1.793 57.076 55.300 -0.028 0.000 1.117 446 M CB -0.904 31.671 32.600 -0.042 0.000 1.320 446 M HN -0.057 nan 8.290 nan 0.000 0.408 447 P HA -0.177 nan 4.420 nan 0.000 0.216 447 P C 1.777 179.064 177.300 -0.022 0.000 1.153 447 P CA 1.624 64.704 63.100 -0.034 0.000 0.858 447 P CB -0.542 31.124 31.700 -0.057 0.000 0.789 448 c N 0.104 118.678 118.600 -0.043 0.000 2.442 448 c HA 0.008 4.502 4.570 -0.126 0.000 0.279 448 c C 3.087 177.199 174.090 0.036 0.000 1.237 448 c CA 1.900 58.215 56.329 -0.024 0.000 1.722 448 c CB -1.591 40.889 42.510 -0.050 0.000 2.056 448 c HN 0.272 nan 8.230 nan 0.000 0.469 449 A N -0.177 122.660 122.820 0.028 0.000 1.841 449 A HA -0.191 4.053 4.320 -0.126 0.000 0.214 449 A C 2.140 179.784 177.584 0.101 0.000 1.195 449 A CA 2.002 54.078 52.037 0.064 0.000 0.611 449 A CB -1.124 17.890 19.000 0.023 0.000 0.835 449 A HN 0.798 nan 8.150 nan 0.000 0.443 450 E N -0.308 119.922 120.200 0.050 0.000 2.051 450 E HA -0.219 4.055 4.350 -0.126 0.000 0.192 450 E C 1.386 178.017 176.600 0.052 0.000 0.991 450 E CA 1.395 57.818 56.400 0.038 0.000 0.799 450 E CB -0.137 29.562 29.700 -0.003 0.000 0.748 450 E HN 0.525 nan 8.360 nan 0.000 0.449 451 D N -0.501 119.940 120.400 0.067 0.000 2.178 451 D HA -0.178 4.386 4.640 -0.126 0.000 0.201 451 D C 1.616 177.978 176.300 0.103 0.000 0.980 451 D CA 0.807 54.864 54.000 0.095 0.000 0.842 451 D CB -0.201 40.669 40.800 0.117 0.000 0.948 451 D HN 0.316 nan 8.370 nan 0.000 0.472 452 Y N 1.582 121.883 120.300 0.002 0.000 2.200 452 Y HA -0.092 4.390 4.550 -0.113 0.000 0.290 452 Y C 2.196 178.082 175.900 -0.024 0.000 1.137 452 Y CA 1.030 59.124 58.100 -0.010 0.000 1.163 452 Y CB -0.480 37.972 38.460 -0.012 0.000 0.988 452 Y HN -0.124 nan 8.280 nan 0.000 0.518 453 L N -0.681 120.490 121.223 -0.087 0.000 2.187 453 L HA -0.247 4.018 4.340 -0.126 0.000 0.213 453 L C 2.394 179.151 176.870 -0.187 0.000 1.100 453 L CA 1.467 56.203 54.840 -0.173 0.000 0.765 453 L CB -0.700 41.343 42.059 -0.026 0.000 0.904 453 L HN 0.163 nan 8.230 nan 0.000 0.437 454 S N -0.656 114.972 115.700 -0.121 0.000 2.402 454 S HA -0.112 4.282 4.470 -0.126 0.000 0.229 454 S C 2.000 176.498 174.600 -0.170 0.000 1.021 454 S CA 0.972 59.108 58.200 -0.107 0.000 0.974 454 S CB -0.046 63.118 63.200 -0.059 0.000 0.800 454 S HN 0.188 nan 8.310 nan 0.000 0.484 455 V N 1.222 120.994 119.914 -0.236 0.000 2.346 455 V HA -0.075 3.969 4.120 -0.126 0.000 0.244 455 V C 2.297 178.212 176.094 -0.299 0.000 1.037 455 V CA 1.170 63.315 62.300 -0.258 0.000 1.029 455 V CB -0.664 31.006 31.823 -0.255 0.000 0.663 455 V HN 0.332 nan 8.190 nan 0.000 0.454 456 V N 0.027 119.676 119.914 -0.442 0.000 2.332 456 V HA -0.251 3.793 4.120 -0.126 0.000 0.248 456 V C 2.273 178.195 176.094 -0.287 0.000 1.055 456 V CA 1.853 63.916 62.300 -0.395 0.000 1.038 456 V CB -0.613 30.913 31.823 -0.495 0.000 0.651 456 V HN 0.442 nan 8.190 nan 0.000 0.450 457 L N 0.355 121.421 121.223 -0.261 0.000 2.291 457 L HA -0.092 4.173 4.340 -0.126 0.000 0.214 457 L C 2.328 179.120 176.870 -0.129 0.000 1.120 457 L CA 1.377 56.079 54.840 -0.230 0.000 0.799 457 L CB -0.587 41.371 42.059 -0.168 0.000 0.925 457 L HN 0.453 nan 8.230 nan 0.000 0.446 458 N N 0.088 118.715 118.700 -0.123 0.000 2.300 458 N HA -0.220 4.444 4.740 -0.126 0.000 0.179 458 N C 1.861 177.315 175.510 -0.093 0.000 1.016 458 N CA 0.976 53.976 53.050 -0.083 0.000 0.876 458 N CB 0.077 38.497 38.487 -0.111 0.000 0.979 458 N HN 0.268 nan 8.380 nan 0.000 0.432 459 Q N -0.194 119.529 119.800 -0.127 0.000 2.030 459 Q HA -0.176 4.089 4.340 -0.126 0.000 0.204 459 Q C 1.970 177.918 176.000 -0.085 0.000 0.986 459 Q CA 1.585 57.321 55.803 -0.113 0.000 0.843 459 Q CB -0.297 28.365 28.738 -0.127 0.000 0.904 459 Q HN 0.437 nan 8.270 nan 0.000 0.420 460 L N 0.655 121.815 121.223 -0.105 0.000 2.043 460 L HA -0.216 4.048 4.340 -0.126 0.000 0.212 460 L C 2.231 179.108 176.870 0.012 0.000 1.075 460 L CA 1.929 56.723 54.840 -0.076 0.000 0.752 460 L CB -1.009 40.947 42.059 -0.171 0.000 0.891 460 L HN 0.441 nan 8.230 nan 0.000 0.432 461 c N -1.271 117.342 118.600 0.022 0.000 2.436 461 c HA -0.136 4.358 4.570 -0.126 0.000 0.277 461 c C 2.873 177.004 174.090 0.068 0.000 1.241 461 c CA 1.119 57.499 56.329 0.084 0.000 1.721 461 c CB -1.144 41.421 42.510 0.092 0.000 2.043 461 c HN 0.644 nan 8.230 nan 0.000 0.472 462 V N 0.213 120.125 119.914 -0.003 0.000 2.343 462 V HA -0.194 3.850 4.120 -0.126 0.000 0.247 462 V C 2.148 178.227 176.094 -0.026 0.000 1.051 462 V CA 2.018 64.293 62.300 -0.043 0.000 1.036 462 V CB -1.150 30.603 31.823 -0.117 0.000 0.654 462 V HN 0.592 nan 8.190 nan 0.000 0.451 463 L N 0.063 121.277 121.223 -0.015 0.000 2.012 463 L HA -0.199 4.065 4.340 -0.126 0.000 0.210 463 L C 2.839 179.718 176.870 0.015 0.000 1.073 463 L CA 2.538 57.372 54.840 -0.010 0.000 0.748 463 L CB -0.950 41.103 42.059 -0.010 0.000 0.891 463 L HN 0.500 nan 8.230 nan 0.000 0.431 464 H N -0.021 119.035 119.070 -0.023 0.000 2.421 464 H HA -0.217 4.261 4.556 -0.131 0.000 0.298 464 H C 2.178 177.500 175.328 -0.010 0.000 1.087 464 H CA 1.756 57.800 56.048 -0.007 0.000 1.330 464 H CB 0.132 29.904 29.762 0.016 0.000 1.388 464 H HN 0.310 nan 8.280 nan 0.000 0.526 465 E N 0.083 120.282 120.200 -0.001 0.000 2.333 465 E HA -0.205 4.070 4.350 -0.126 0.000 0.198 465 E C 2.311 178.846 176.600 -0.109 0.000 1.007 465 E CA 1.185 57.555 56.400 -0.050 0.000 0.845 465 E CB -0.033 29.659 29.700 -0.013 0.000 0.766 465 E HN 0.646 nan 8.360 nan 0.000 0.507 466 K N 0.339 120.674 120.400 -0.109 0.000 2.001 466 K HA -0.070 4.174 4.320 -0.126 0.000 0.208 466 K C 1.463 177.990 176.600 -0.122 0.000 1.048 466 K CA 1.683 57.913 56.287 -0.095 0.000 0.932 466 K CB -0.909 31.550 32.500 -0.069 0.000 0.715 466 K HN 0.298 nan 8.250 nan 0.000 0.437 467 T N -0.186 114.261 114.554 -0.179 0.000 3.226 467 T HA 0.373 4.647 4.350 -0.126 0.000 0.378 467 T C -3.144 171.350 174.700 -0.343 0.000 1.380 467 T CA -1.771 60.219 62.100 -0.184 0.000 1.396 467 T CB 1.368 70.168 68.868 -0.114 0.000 1.044 467 T HN 0.192 nan 8.240 nan 0.000 0.586 468 P HA 0.150 nan 4.420 nan 0.000 0.265 468 P C 0.956 178.164 177.300 -0.153 0.000 1.222 468 P CA -0.285 62.524 63.100 -0.485 0.000 0.767 468 P CB 1.344 32.947 31.700 -0.162 0.000 0.801 469 V N 0.810 120.732 119.914 0.012 0.000 3.473 469 V HA 0.234 4.278 4.120 -0.126 0.000 0.253 469 V C 0.774 176.980 176.094 0.187 0.000 1.340 469 V CA 0.460 62.828 62.300 0.114 0.000 1.103 469 V CB 0.160 32.039 31.823 0.093 0.000 0.881 469 V HN 0.502 nan 8.190 nan 0.000 0.451 470 S N 1.140 117.044 115.700 0.339 0.000 2.530 470 S HA 0.380 4.774 4.470 -0.126 0.000 0.322 470 S C 0.276 174.930 174.600 0.090 0.000 1.085 470 S CA -0.206 58.075 58.200 0.135 0.000 1.096 470 S CB 1.247 64.463 63.200 0.028 0.000 0.988 470 S HN 0.464 nan 8.310 nan 0.000 0.466 471 D N 3.936 124.372 120.400 0.060 0.000 2.219 471 D HA -0.030 4.534 4.640 -0.126 0.000 0.205 471 D C 1.881 178.169 176.300 -0.021 0.000 0.970 471 D CA 0.916 54.937 54.000 0.035 0.000 0.851 471 D CB 0.090 40.904 40.800 0.024 0.000 0.943 471 D HN 0.538 nan 8.370 nan 0.000 0.488 472 R N 0.488 120.962 120.500 -0.044 0.000 2.075 472 R HA -0.034 4.231 4.340 -0.126 0.000 0.232 472 R C 2.195 178.405 176.300 -0.150 0.000 1.126 472 R CA 0.720 56.766 56.100 -0.090 0.000 0.963 472 R CB -0.565 29.692 30.300 -0.073 0.000 0.858 472 R HN 0.112 nan 8.270 nan 0.000 0.435 473 V N 0.860 120.686 119.914 -0.147 0.000 2.295 473 V HA -0.256 3.788 4.120 -0.126 0.000 0.246 473 V C 2.187 178.188 176.094 -0.155 0.000 1.049 473 V CA 2.235 64.436 62.300 -0.164 0.000 1.024 473 V CB -0.622 30.934 31.823 -0.444 0.000 0.648 473 V HN 0.414 nan 8.190 nan 0.000 0.447 474 T N 0.558 115.044 114.554 -0.113 0.000 2.635 474 T HA -0.301 3.973 4.350 -0.126 0.000 0.267 474 T C 1.882 176.567 174.700 -0.024 0.000 1.040 474 T CA 2.272 64.376 62.100 0.008 0.000 1.156 474 T CB -0.314 68.599 68.868 0.074 0.000 0.863 474 T HN 0.712 nan 8.240 nan 0.000 0.430 475 K N 0.539 120.901 120.400 -0.063 0.000 2.002 475 K HA -0.089 4.155 4.320 -0.126 0.000 0.209 475 K C 2.471 179.003 176.600 -0.112 0.000 1.048 475 K CA 1.746 57.989 56.287 -0.072 0.000 0.930 475 K CB -0.957 31.494 32.500 -0.082 0.000 0.714 475 K HN 0.291 nan 8.250 nan 0.000 0.438 476 c N 0.896 119.354 118.600 -0.237 0.000 2.410 476 c HA -0.090 4.404 4.570 -0.126 0.000 0.281 476 c C 2.898 176.880 174.090 -0.180 0.000 1.318 476 c CA 0.584 56.693 56.329 -0.368 0.000 1.776 476 c CB -1.137 40.800 42.510 -0.955 0.000 1.942 476 c HN 0.703 nan 8.230 nan 0.000 0.508 477 c N 0.197 118.763 118.600 -0.057 0.000 2.486 477 c HA -0.041 4.453 4.570 -0.126 0.000 0.279 477 c C 2.905 177.090 174.090 0.157 0.000 1.302 477 c CA 1.789 58.176 56.329 0.097 0.000 1.720 477 c CB -1.370 41.211 42.510 0.118 0.000 2.030 477 c HN 0.818 nan 8.230 nan 0.000 0.490 478 T N -1.622 112.989 114.554 0.095 0.000 2.976 478 T HA -0.030 4.244 4.350 -0.126 0.000 0.257 478 T C 1.531 176.331 174.700 0.166 0.000 1.051 478 T CA 0.898 63.067 62.100 0.114 0.000 1.141 478 T CB -0.406 68.475 68.868 0.022 0.000 0.881 478 T HN 0.542 nan 8.240 nan 0.000 0.461 479 E N 1.300 121.549 120.200 0.082 0.000 2.070 479 E HA -0.063 4.212 4.350 -0.126 0.000 0.197 479 E C 0.517 177.172 176.600 0.092 0.000 1.004 479 E CA 1.159 57.596 56.400 0.062 0.000 0.805 479 E CB 0.030 29.727 29.700 -0.005 0.000 0.744 479 E HN 0.485 nan 8.360 nan 0.000 0.451 480 S N -1.242 114.499 115.700 0.068 0.000 2.605 480 S HA 0.113 4.507 4.470 -0.126 0.000 0.279 480 S C 0.045 174.552 174.600 -0.156 0.000 1.166 480 S CA -0.714 57.472 58.200 -0.023 0.000 0.975 480 S CB 1.147 64.322 63.200 -0.042 0.000 1.111 480 S HN 0.142 nan 8.310 nan 0.000 0.465 481 L N 6.140 127.065 121.223 -0.497 0.000 1.970 481 L HA 0.006 4.270 4.340 -0.126 0.000 0.212 481 L C 2.171 178.874 176.870 -0.280 0.000 1.071 481 L CA 2.469 56.937 54.840 -0.619 0.000 0.751 481 L CB -0.695 40.665 42.059 -1.166 0.000 0.889 481 L HN 0.711 nan 8.230 nan 0.000 0.432 482 V N -0.321 119.456 119.914 -0.227 0.000 2.594 482 V HA -0.282 3.762 4.120 -0.126 0.000 0.253 482 V C 1.832 177.877 176.094 -0.082 0.000 1.069 482 V CA 2.194 64.424 62.300 -0.118 0.000 1.082 482 V CB -1.089 30.678 31.823 -0.093 0.000 0.680 482 V HN 0.566 nan 8.190 nan 0.000 0.469 483 N N -0.741 117.910 118.700 -0.082 0.000 2.280 483 N HA 0.091 4.755 4.740 -0.126 0.000 0.192 483 N C 1.770 177.259 175.510 -0.035 0.000 1.109 483 N CA -0.260 52.757 53.050 -0.056 0.000 0.855 483 N CB 0.090 38.543 38.487 -0.057 0.000 0.974 483 N HN 0.413 nan 8.380 nan 0.000 0.482 484 R N 1.132 121.621 120.500 -0.018 0.000 2.134 484 R HA -0.165 4.099 4.340 -0.126 0.000 0.248 484 R C 2.239 178.641 176.300 0.170 0.000 1.143 484 R CA 1.387 57.521 56.100 0.057 0.000 0.957 484 R CB -0.160 30.211 30.300 0.119 0.000 0.867 484 R HN 0.174 nan 8.270 nan 0.000 0.441 485 R N 0.518 121.098 120.500 0.133 0.000 2.070 485 R HA -0.070 4.194 4.340 -0.126 0.000 0.233 485 R C -0.824 175.547 176.300 0.119 0.000 1.137 485 R CA 1.584 57.779 56.100 0.159 0.000 0.945 485 R CB -1.348 28.997 30.300 0.076 0.000 0.845 485 R HN 0.157 nan 8.270 nan 0.000 0.430 486 P HA -0.101 nan 4.420 nan 0.000 0.218 486 P C 1.585 178.880 177.300 -0.007 0.000 1.148 486 P CA 0.907 64.013 63.100 0.011 0.000 0.822 486 P CB -0.241 31.447 31.700 -0.020 0.000 0.784 487 c N -2.083 116.494 118.600 -0.039 0.000 2.429 487 c HA -0.136 4.358 4.570 -0.126 0.000 0.277 487 c C 2.349 176.327 174.090 -0.185 0.000 1.262 487 c CA 0.761 57.004 56.329 -0.143 0.000 1.733 487 c CB -2.065 40.302 42.510 -0.240 0.000 2.010 487 c HN 0.071 nan 8.230 nan 0.000 0.483 488 F N 1.295 121.222 119.950 -0.039 0.000 2.163 488 F HA -0.027 4.426 4.527 -0.124 0.000 0.297 488 F C 2.748 178.481 175.800 -0.110 0.000 1.094 488 F CA 1.842 59.806 58.000 -0.060 0.000 1.290 488 F CB -0.760 38.248 39.000 0.013 0.000 1.017 488 F HN 0.086 nan 8.300 nan 0.000 0.483 489 S N 0.020 115.791 115.700 0.119 0.000 2.419 489 S HA -0.198 4.196 4.470 -0.126 0.000 0.235 489 S C 2.293 176.880 174.600 -0.021 0.000 1.019 489 S CA 0.910 59.127 58.200 0.027 0.000 0.982 489 S CB -0.646 62.579 63.200 0.042 0.000 0.789 489 S HN 0.373 nan 8.310 nan 0.000 0.490 490 A N 1.519 124.322 122.820 -0.029 0.000 1.873 490 A HA 0.131 4.375 4.320 -0.126 0.000 0.215 490 A C 0.934 178.480 177.584 -0.063 0.000 1.186 490 A CA 0.593 52.600 52.037 -0.049 0.000 0.616 490 A CB -0.640 18.322 19.000 -0.062 0.000 0.823 490 A HN 0.438 nan 8.150 nan 0.000 0.442 491 L N 0.236 121.412 121.223 -0.078 0.000 2.559 491 L HA 0.024 4.288 4.340 -0.126 0.000 0.282 491 L C 1.287 178.103 176.870 -0.091 0.000 1.232 491 L CA -0.141 54.648 54.840 -0.084 0.000 0.885 491 L CB 0.329 42.339 42.059 -0.082 0.000 1.131 491 L HN 0.498 nan 8.230 nan 0.000 0.498 492 E N 3.103 123.259 120.200 -0.074 0.000 2.430 492 E HA 0.222 4.497 4.350 -0.126 0.000 0.253 492 E C -0.617 175.942 176.600 -0.069 0.000 0.903 492 E CA 0.192 56.550 56.400 -0.069 0.000 1.082 492 E CB 0.614 30.287 29.700 -0.045 0.000 1.751 492 E HN 0.323 nan 8.360 nan 0.000 0.530 493 V N 0.270 120.158 119.914 -0.042 0.000 2.808 493 V HA 0.457 4.501 4.120 -0.126 0.000 0.308 493 V C -1.176 174.915 176.094 -0.006 0.000 1.099 493 V CA -0.988 61.296 62.300 -0.026 0.000 0.920 493 V CB 1.789 33.606 31.823 -0.010 0.000 1.014 493 V HN 0.326 nan 8.190 nan 0.000 0.425 494 D N 3.474 123.879 120.400 0.008 0.000 2.417 494 D HA 0.168 4.732 4.640 -0.126 0.000 0.250 494 D C 0.817 177.158 176.300 0.069 0.000 1.166 494 D CA 0.407 54.429 54.000 0.037 0.000 0.881 494 D CB 1.528 42.360 40.800 0.054 0.000 1.164 494 D HN 0.823 nan 8.370 nan 0.000 0.467 495 E N 1.114 121.341 120.200 0.046 0.000 2.474 495 E HA -0.012 4.262 4.350 -0.126 0.000 0.195 495 E C 1.217 177.842 176.600 0.042 0.000 1.039 495 E CA 0.197 56.620 56.400 0.038 0.000 0.881 495 E CB 0.409 30.119 29.700 0.016 0.000 0.970 495 E HN 0.499 nan 8.360 nan 0.000 0.486 496 T N -2.154 112.439 114.554 0.065 0.000 3.054 496 T HA 0.009 4.283 4.350 -0.126 0.000 0.255 496 T C 0.242 174.999 174.700 0.095 0.000 1.035 496 T CA -0.493 61.642 62.100 0.058 0.000 0.941 496 T CB -0.248 68.650 68.868 0.049 0.000 1.026 496 T HN 0.069 nan 8.240 nan 0.000 0.533 497 Y N 2.600 122.900 120.300 -0.000 0.000 2.377 497 Y HA 0.478 4.954 4.550 -0.123 0.000 0.330 497 Y C -0.190 175.710 175.900 0.001 0.000 1.108 497 Y CA -1.838 56.266 58.100 0.005 0.000 1.308 497 Y CB 0.916 39.382 38.460 0.009 0.000 1.216 497 Y HN 0.047 nan 8.280 nan 0.000 0.518 498 V N 9.956 129.481 119.914 -0.649 0.000 2.318 498 V HA 0.430 4.474 4.120 -0.126 0.000 0.271 498 V C -2.404 173.107 176.094 -0.972 0.000 1.030 498 V CA -2.543 59.403 62.300 -0.591 0.000 0.844 498 V CB 0.298 31.959 31.823 -0.269 0.000 1.015 498 V HN 0.794 nan 8.190 nan 0.000 0.460 499 P HA -0.048 nan 4.420 nan 0.000 0.261 499 P C -0.124 177.035 177.300 -0.235 0.000 1.158 499 P CA 0.593 63.395 63.100 -0.496 0.000 0.758 499 P CB 0.275 31.797 31.700 -0.297 0.000 0.763 500 K N 2.343 122.764 120.400 0.035 0.000 2.285 500 K HA 0.047 4.291 4.320 -0.126 0.000 0.255 500 K C 0.301 177.077 176.600 0.293 0.000 1.000 500 K CA 0.296 56.698 56.287 0.191 0.000 0.887 500 K CB 0.300 32.983 32.500 0.305 0.000 0.997 500 K HN 0.472 nan 8.250 nan 0.000 0.510 501 E N 1.052 121.416 120.200 0.274 0.000 2.199 501 E HA 0.128 4.402 4.350 -0.126 0.000 0.269 501 E C -1.099 175.649 176.600 0.246 0.000 0.899 501 E CA -0.702 55.907 56.400 0.348 0.000 0.772 501 E CB 1.139 30.945 29.700 0.176 0.000 1.155 501 E HN 0.296 nan 8.360 nan 0.000 0.408 502 F N 4.358 124.345 119.950 0.061 0.000 2.563 502 F HA 0.060 4.511 4.527 -0.126 0.000 0.363 502 F C 0.313 176.073 175.800 -0.068 0.000 1.123 502 F CA 0.352 58.262 58.000 -0.149 0.000 1.307 502 F CB 0.450 39.315 39.000 -0.225 0.000 1.115 502 F HN 0.450 nan 8.300 nan 0.000 0.592 503 N N 4.227 122.368 118.700 -0.932 0.000 2.504 503 N HA 0.309 4.973 4.740 -0.126 0.000 0.268 503 N C -0.182 174.737 175.510 -0.986 0.000 1.184 503 N CA -0.180 52.495 53.050 -0.624 0.000 0.875 503 N CB 1.362 39.661 38.487 -0.312 0.000 1.630 503 N HN 0.713 nan 8.380 nan 0.000 0.486 504 A N 1.790 124.243 122.820 -0.612 0.000 1.894 504 A HA -0.269 3.975 4.320 -0.126 0.000 0.220 504 A C 1.494 178.674 177.584 -0.673 0.000 1.237 504 A CA 1.842 53.527 52.037 -0.585 0.000 0.660 504 A CB -0.759 18.063 19.000 -0.298 0.000 0.835 504 A HN 0.790 nan 8.150 nan 0.000 0.461 505 E N -0.076 119.864 120.200 -0.432 0.000 2.510 505 E HA -0.081 4.193 4.350 -0.126 0.000 0.202 505 E C 1.663 178.077 176.600 -0.310 0.000 1.072 505 E CA 1.047 57.260 56.400 -0.312 0.000 0.883 505 E CB -1.081 28.512 29.700 -0.179 0.000 0.818 505 E HN 0.649 nan 8.360 nan 0.000 0.548 506 T N 0.865 115.131 114.554 -0.480 0.000 2.996 506 T HA -0.105 4.169 4.350 -0.126 0.000 0.271 506 T C 0.257 174.950 174.700 -0.011 0.000 1.126 506 T CA 0.898 62.831 62.100 -0.280 0.000 1.103 506 T CB -0.477 68.135 68.868 -0.426 0.000 0.870 506 T HN 0.299 nan 8.240 nan 0.000 0.528 507 F N -1.564 118.298 119.950 -0.147 0.000 2.684 507 F HA 0.439 4.890 4.527 -0.127 0.000 0.329 507 F C -1.088 174.671 175.800 -0.068 0.000 1.094 507 F CA -1.428 56.531 58.000 -0.067 0.000 1.116 507 F CB 0.171 39.158 39.000 -0.021 0.000 1.366 507 F HN -0.419 nan 8.300 nan 0.000 0.567 508 T N 2.386 116.985 114.554 0.074 0.000 2.922 508 T HA 0.626 4.900 4.350 -0.126 0.000 0.285 508 T C 0.397 175.158 174.700 0.102 0.000 1.005 508 T CA 0.536 62.628 62.100 -0.012 0.000 1.061 508 T CB 1.161 70.035 68.868 0.010 0.000 1.007 508 T HN 0.985 nan 8.240 nan 0.000 0.502 509 F N 0.462 120.407 119.950 -0.009 0.000 2.706 509 F HA 0.279 4.730 4.527 -0.126 0.000 0.313 509 F C 0.972 176.787 175.800 0.024 0.000 1.096 509 F CA -0.736 57.300 58.000 0.059 0.000 1.219 509 F CB -0.798 38.271 39.000 0.115 0.000 1.051 509 F HN 0.712 nan 8.300 nan 0.000 0.568 510 H N 0.519 119.625 119.070 0.059 0.000 3.190 510 H HA 0.071 4.551 4.556 -0.127 0.000 0.308 510 H C 1.779 177.131 175.328 0.040 0.000 0.972 510 H CA 0.538 56.611 56.048 0.041 0.000 1.349 510 H CB 0.810 30.590 29.762 0.030 0.000 1.267 510 H HN 0.433 nan 8.280 nan 0.000 0.584 511 A N 4.004 126.922 122.820 0.164 0.000 2.084 511 A HA -0.227 4.017 4.320 -0.126 0.000 0.221 511 A C 1.993 179.625 177.584 0.080 0.000 1.161 511 A CA 1.454 53.550 52.037 0.098 0.000 0.653 511 A CB -0.366 18.679 19.000 0.076 0.000 0.802 511 A HN 0.879 nan 8.150 nan 0.000 0.457 512 D N 0.132 120.585 120.400 0.088 0.000 2.408 512 D HA -0.205 4.360 4.640 -0.126 0.000 0.215 512 D C 1.318 177.649 176.300 0.051 0.000 0.982 512 D CA 1.698 55.733 54.000 0.057 0.000 0.962 512 D CB -0.991 39.840 40.800 0.050 0.000 0.872 512 D HN 0.617 nan 8.370 nan 0.000 0.490 513 I N 0.073 120.678 120.570 0.058 0.000 3.059 513 I HA -0.034 4.061 4.170 -0.126 0.000 0.270 513 I C 2.552 178.688 176.117 0.032 0.000 1.238 513 I CA 0.775 62.102 61.300 0.045 0.000 1.478 513 I CB -1.114 36.914 38.000 0.048 0.000 1.097 513 I HN 0.334 nan 8.210 nan 0.000 0.455 514 c N -0.187 118.432 118.600 0.032 0.000 2.539 514 c HA 0.095 4.589 4.570 -0.126 0.000 0.271 514 c C 2.693 176.795 174.090 0.019 0.000 1.412 514 c CA 1.350 57.692 56.329 0.023 0.000 1.729 514 c CB -1.880 40.644 42.510 0.024 0.000 1.739 514 c HN 0.755 nan 8.230 nan 0.000 0.570 515 T N -0.235 114.332 114.554 0.021 0.000 3.000 515 T HA 0.263 4.537 4.350 -0.126 0.000 0.248 515 T C 0.615 175.325 174.700 0.017 0.000 1.034 515 T CA 0.040 62.151 62.100 0.018 0.000 1.060 515 T CB -0.048 68.832 68.868 0.020 0.000 0.983 515 T HN 0.327 nan 8.240 nan 0.000 0.482 516 L N 3.288 124.522 121.223 0.019 0.000 2.492 516 L HA 0.222 4.486 4.340 -0.126 0.000 0.280 516 L C 1.179 178.055 176.870 0.011 0.000 1.240 516 L CA -0.541 54.309 54.840 0.017 0.000 0.831 516 L CB 0.265 42.336 42.059 0.020 0.000 1.100 516 L HN 0.324 nan 8.230 nan 0.000 0.505 517 S N 0.160 115.866 115.700 0.011 0.000 2.587 517 S HA -0.031 4.364 4.470 -0.126 0.000 0.260 517 S C 0.902 175.500 174.600 -0.004 0.000 1.353 517 S CA -0.253 57.950 58.200 0.005 0.000 0.995 517 S CB 0.931 64.136 63.200 0.010 0.000 0.912 517 S HN 0.683 nan 8.310 nan 0.000 0.568 518 E N 1.395 121.587 120.200 -0.013 0.000 2.118 518 E HA -0.121 4.153 4.350 -0.126 0.000 0.195 518 E C 2.286 178.865 176.600 -0.036 0.000 0.992 518 E CA 2.324 58.705 56.400 -0.031 0.000 0.804 518 E CB -0.974 28.702 29.700 -0.040 0.000 0.741 518 E HN 0.785 nan 8.360 nan 0.000 0.458 519 K N 1.257 121.646 120.400 -0.018 0.000 1.978 519 K HA -0.153 4.091 4.320 -0.126 0.000 0.214 519 K C 2.126 178.727 176.600 0.002 0.000 1.049 519 K CA 1.831 58.113 56.287 -0.008 0.000 0.939 519 K CB -1.348 31.158 32.500 0.010 0.000 0.721 519 K HN 0.432 nan 8.250 nan 0.000 0.441 520 E N -0.494 119.712 120.200 0.010 0.000 2.455 520 E HA -0.167 4.107 4.350 -0.126 0.000 0.202 520 E C 2.221 178.829 176.600 0.014 0.000 1.045 520 E CA 0.744 57.155 56.400 0.017 0.000 0.872 520 E CB -0.034 29.679 29.700 0.021 0.000 0.792 520 E HN 0.501 nan 8.360 nan 0.000 0.542 521 R N 0.620 121.120 120.500 -0.001 0.000 2.090 521 R HA -0.052 4.212 4.340 -0.126 0.000 0.219 521 R C 2.157 178.452 176.300 -0.008 0.000 1.100 521 R CA 0.802 56.898 56.100 -0.006 0.000 0.991 521 R CB 0.202 30.488 30.300 -0.022 0.000 0.893 521 R HN 0.092 nan 8.270 nan 0.000 0.443 522 Q N 0.314 120.097 119.800 -0.028 0.000 2.050 522 Q HA -0.142 4.123 4.340 -0.126 0.000 0.202 522 Q C 2.124 178.168 176.000 0.073 0.000 0.980 522 Q CA 1.882 57.677 55.803 -0.013 0.000 0.840 522 Q CB -0.086 28.608 28.738 -0.073 0.000 0.898 522 Q HN 0.376 nan 8.270 nan 0.000 0.424 523 I N 1.130 121.732 120.570 0.054 0.000 2.145 523 I HA -0.363 3.731 4.170 -0.126 0.000 0.244 523 I C 2.789 178.935 176.117 0.049 0.000 1.075 523 I CA 1.864 63.198 61.300 0.057 0.000 1.332 523 I CB -0.725 37.300 38.000 0.041 0.000 1.033 523 I HN 0.211 nan 8.210 nan 0.000 0.410 524 K N 1.298 121.721 120.400 0.039 0.000 2.147 524 K HA -0.178 4.066 4.320 -0.126 0.000 0.205 524 K C 1.988 178.605 176.600 0.028 0.000 1.049 524 K CA 1.667 57.975 56.287 0.034 0.000 0.936 524 K CB -0.717 31.801 32.500 0.030 0.000 0.722 524 K HN 0.447 nan 8.250 nan 0.000 0.446 525 K N -0.041 120.385 120.400 0.043 0.000 2.031 525 K HA -0.087 4.158 4.320 -0.126 0.000 0.205 525 K C 2.660 179.289 176.600 0.049 0.000 1.049 525 K CA 1.412 57.728 56.287 0.048 0.000 0.939 525 K CB -0.012 32.547 32.500 0.099 0.000 0.717 525 K HN 0.509 nan 8.250 nan 0.000 0.438 526 Q N 0.190 120.035 119.800 0.076 0.000 2.084 526 Q HA -0.111 4.153 4.340 -0.126 0.000 0.202 526 Q C 1.938 177.951 176.000 0.021 0.000 0.978 526 Q CA 1.722 57.552 55.803 0.046 0.000 0.844 526 Q CB -0.088 28.688 28.738 0.063 0.000 0.898 526 Q HN 0.258 nan 8.270 nan 0.000 0.426 527 T N 0.521 115.091 114.554 0.026 0.000 2.929 527 T HA -0.122 4.152 4.350 -0.126 0.000 0.271 527 T C 1.681 176.391 174.700 0.017 0.000 1.085 527 T CA 0.979 63.093 62.100 0.023 0.000 1.125 527 T CB -0.124 68.763 68.868 0.032 0.000 0.874 527 T HN 0.380 nan 8.240 nan 0.000 0.494 528 A N 1.323 124.141 122.820 -0.004 0.000 1.855 528 A HA 0.107 4.351 4.320 -0.126 0.000 0.213 528 A C 2.151 179.722 177.584 -0.022 0.000 1.195 528 A CA 0.826 52.837 52.037 -0.043 0.000 0.610 528 A CB -0.886 18.056 19.000 -0.096 0.000 0.837 528 A HN 0.374 nan 8.150 nan 0.000 0.444 529 L N 0.271 121.485 121.223 -0.016 0.000 2.021 529 L HA -0.189 4.076 4.340 -0.126 0.000 0.215 529 L C 2.433 179.309 176.870 0.009 0.000 1.074 529 L CA 2.066 56.900 54.840 -0.010 0.000 0.760 529 L CB -0.654 41.391 42.059 -0.022 0.000 0.889 529 L HN 0.177 nan 8.230 nan 0.000 0.433 530 V N -0.448 119.473 119.914 0.012 0.000 2.287 530 V HA -0.269 3.775 4.120 -0.126 0.000 0.248 530 V C 2.615 178.739 176.094 0.050 0.000 1.053 530 V CA 1.932 64.246 62.300 0.022 0.000 1.027 530 V CB -0.631 31.202 31.823 0.016 0.000 0.646 530 V HN 0.470 nan 8.190 nan 0.000 0.447 531 E N -0.352 119.884 120.200 0.060 0.000 2.204 531 E HA -0.124 4.150 4.350 -0.126 0.000 0.194 531 E C 2.173 178.854 176.600 0.135 0.000 0.989 531 E CA 0.856 57.317 56.400 0.101 0.000 0.824 531 E CB -0.158 29.607 29.700 0.108 0.000 0.756 531 E HN 0.511 nan 8.360 nan 0.000 0.477 532 L N 0.104 121.384 121.223 0.095 0.000 2.007 532 L HA -0.139 4.125 4.340 -0.126 0.000 0.205 532 L C 2.415 179.371 176.870 0.145 0.000 1.073 532 L CA 0.804 55.713 54.840 0.116 0.000 0.744 532 L CB -0.350 41.741 42.059 0.053 0.000 0.898 532 L HN -0.010 nan 8.230 nan 0.000 0.435 533 V N -0.041 119.931 119.914 0.096 0.000 2.568 533 V HA -0.297 3.747 4.120 -0.126 0.000 0.253 533 V C 2.368 178.545 176.094 0.138 0.000 1.072 533 V CA 1.595 63.949 62.300 0.090 0.000 1.084 533 V CB -0.653 31.197 31.823 0.046 0.000 0.676 533 V HN 0.425 nan 8.190 nan 0.000 0.469 534 K N -0.840 119.659 120.400 0.165 0.000 2.155 534 K HA -0.153 4.091 4.320 -0.126 0.000 0.203 534 K C 2.195 179.018 176.600 0.371 0.000 1.052 534 K CA 1.358 57.792 56.287 0.244 0.000 0.948 534 K CB -0.167 32.449 32.500 0.193 0.000 0.728 534 K HN 0.518 nan 8.250 nan 0.000 0.448 535 H N 0.438 119.621 119.070 0.189 0.000 2.384 535 H HA 0.033 4.512 4.556 -0.127 0.000 0.300 535 H C 0.546 175.944 175.328 0.117 0.000 1.057 535 H CA 1.622 57.765 56.048 0.160 0.000 1.370 535 H CB 0.389 30.254 29.762 0.171 0.000 1.417 535 H HN -0.012 nan 8.280 nan 0.000 0.527 536 K N 0.488 120.970 120.400 0.136 0.000 2.877 536 K HA 0.303 4.548 4.320 -0.126 0.000 0.176 536 K C -2.495 174.146 176.600 0.069 0.000 1.075 536 K CA -1.280 55.036 56.287 0.048 0.000 0.939 536 K CB 0.237 32.775 32.500 0.063 0.000 1.237 536 K HN 0.209 nan 8.250 nan 0.000 0.607 537 P HA -0.246 nan 4.420 nan 0.000 0.212 537 P C 2.122 179.451 177.300 0.050 0.000 1.178 537 P CA 2.618 65.776 63.100 0.096 0.000 0.915 537 P CB 0.288 32.085 31.700 0.162 0.000 0.788 538 K N 0.421 120.841 120.400 0.034 0.000 1.974 538 K HA 0.004 4.249 4.320 -0.126 0.000 0.226 538 K C 1.577 178.183 176.600 0.010 0.000 1.039 538 K CA 1.599 57.895 56.287 0.015 0.000 1.022 538 K CB -2.015 30.486 32.500 0.003 0.000 0.746 538 K HN 0.288 nan 8.250 nan 0.000 0.445 539 A N 1.620 124.443 122.820 0.004 0.000 2.522 539 A HA 0.391 4.635 4.320 -0.126 0.000 0.285 539 A C -0.061 177.529 177.584 0.011 0.000 1.222 539 A CA 1.209 53.248 52.037 0.004 0.000 0.931 539 A CB -1.202 17.798 19.000 0.001 0.000 1.003 539 A HN 0.594 nan 8.150 nan 0.000 0.560 540 T N 1.513 116.071 114.554 0.008 0.000 3.767 540 T HA 0.443 4.717 4.350 -0.126 0.000 0.360 540 T C 0.299 175.000 174.700 0.001 0.000 1.181 540 T CA -0.248 61.857 62.100 0.008 0.000 1.110 540 T CB 1.513 70.388 68.868 0.012 0.000 1.201 540 T HN 0.583 nan 8.240 nan 0.000 0.474 541 K N 2.421 122.820 120.400 -0.001 0.000 3.060 541 K HA 0.251 4.495 4.320 -0.126 0.000 0.250 541 K C 0.523 177.120 176.600 -0.006 0.000 2.263 541 K CA -0.302 55.982 56.287 -0.004 0.000 1.402 541 K CB 0.000 32.499 32.500 -0.003 0.000 2.541 541 K HN 0.511 nan 8.250 nan 0.000 0.469 542 E N 1.272 121.469 120.200 -0.005 0.000 2.571 542 E HA 0.121 4.395 4.350 -0.126 0.000 0.222 542 E C 1.661 178.258 176.600 -0.005 0.000 0.904 542 E CA 0.277 56.673 56.400 -0.006 0.000 1.157 542 E CB 0.459 30.157 29.700 -0.004 0.000 1.158 542 E HN 0.511 nan 8.360 nan 0.000 0.540 543 Q N 0.770 120.568 119.800 -0.003 0.000 2.226 543 Q HA -0.077 4.188 4.340 -0.126 0.000 0.204 543 Q C 1.785 177.784 176.000 -0.002 0.000 0.975 543 Q CA 0.964 56.766 55.803 -0.001 0.000 0.866 543 Q CB -0.308 28.431 28.738 0.002 0.000 0.915 543 Q HN 0.276 nan 8.270 nan 0.000 0.440 544 L N 1.122 122.343 121.223 -0.003 0.000 1.994 544 L HA -0.237 4.027 4.340 -0.126 0.000 0.208 544 L C 3.081 179.944 176.870 -0.012 0.000 1.071 544 L CA 2.093 56.929 54.840 -0.006 0.000 0.745 544 L CB -1.062 40.992 42.059 -0.009 0.000 0.892 544 L HN 0.377 nan 8.230 nan 0.000 0.431 545 K N 0.406 120.798 120.400 -0.013 0.000 2.001 545 K HA -0.190 4.054 4.320 -0.126 0.000 0.214 545 K C 2.250 178.846 176.600 -0.007 0.000 1.050 545 K CA 1.866 58.145 56.287 -0.013 0.000 0.934 545 K CB -1.589 30.904 32.500 -0.012 0.000 0.718 545 K HN 0.427 nan 8.250 nan 0.000 0.443 546 A N 0.461 123.277 122.820 -0.006 0.000 1.940 546 A HA -0.118 4.126 4.320 -0.126 0.000 0.221 546 A C 2.626 180.206 177.584 -0.007 0.000 1.190 546 A CA 2.389 54.423 52.037 -0.005 0.000 0.647 546 A CB -0.788 18.209 19.000 -0.005 0.000 0.821 546 A HN 0.443 nan 8.150 nan 0.000 0.457 547 V N -0.626 119.281 119.914 -0.010 0.000 2.323 547 V HA -0.220 3.824 4.120 -0.126 0.000 0.244 547 V C 2.599 178.680 176.094 -0.021 0.000 1.041 547 V CA 1.814 64.104 62.300 -0.017 0.000 1.025 547 V CB -0.599 31.214 31.823 -0.018 0.000 0.656 547 V HN 0.498 nan 8.190 nan 0.000 0.451 548 M N -0.124 119.466 119.600 -0.016 0.000 2.279 548 M HA -0.135 4.269 4.480 -0.126 0.000 0.264 548 M C 1.860 178.162 176.300 0.003 0.000 1.062 548 M CA 1.408 56.702 55.300 -0.010 0.000 1.099 548 M CB -1.280 31.317 32.600 -0.005 0.000 1.394 548 M HN 0.382 nan 8.290 nan 0.000 0.426 549 D N 0.281 120.683 120.400 0.003 0.000 2.144 549 D HA -0.145 4.419 4.640 -0.126 0.000 0.200 549 D C 1.647 177.949 176.300 0.002 0.000 0.978 549 D CA 1.011 55.017 54.000 0.009 0.000 0.833 549 D CB -0.191 40.613 40.800 0.007 0.000 0.961 549 D HN 0.323 nan 8.370 nan 0.000 0.470 550 D N -0.324 120.072 120.400 -0.006 0.000 2.117 550 D HA -0.136 4.428 4.640 -0.126 0.000 0.198 550 D C 2.286 178.577 176.300 -0.014 0.000 0.982 550 D CA 0.678 54.672 54.000 -0.009 0.000 0.828 550 D CB -0.332 40.459 40.800 -0.014 0.000 0.967 550 D HN 0.264 nan 8.370 nan 0.000 0.464 551 F N 1.324 121.259 119.950 -0.024 0.000 2.154 551 F HA -0.030 4.421 4.527 -0.126 0.000 0.301 551 F C 2.654 178.445 175.800 -0.016 0.000 1.087 551 F CA 1.770 59.749 58.000 -0.036 0.000 1.274 551 F CB -1.204 37.763 39.000 -0.055 0.000 1.009 551 F HN 0.200 nan 8.300 nan 0.000 0.485 552 A N 0.180 122.999 122.820 -0.003 0.000 1.873 552 A HA 0.166 4.410 4.320 -0.126 0.000 0.215 552 A C 2.677 180.262 177.584 0.001 0.000 1.186 552 A CA 2.120 54.159 52.037 0.004 0.000 0.616 552 A CB -1.515 17.494 19.000 0.013 0.000 0.823 552 A HN 1.415 nan 8.150 nan 0.000 0.442 553 A N -1.154 121.666 122.820 0.001 0.000 1.917 553 A HA 0.044 4.288 4.320 -0.126 0.000 0.219 553 A C 2.412 179.998 177.584 0.004 0.000 1.182 553 A CA 2.568 54.607 52.037 0.002 0.000 0.633 553 A CB -1.437 17.564 19.000 0.002 0.000 0.819 553 A HN 1.234 nan 8.150 nan 0.000 0.448 554 F N -0.309 119.642 119.950 0.002 0.000 2.095 554 F HA -0.081 4.370 4.527 -0.126 0.000 0.298 554 F C 2.666 178.473 175.800 0.011 0.000 1.104 554 F CA 2.291 60.296 58.000 0.007 0.000 1.232 554 F CB -1.464 37.539 39.000 0.005 0.000 0.987 554 F HN 0.152 nan 8.300 nan 0.000 0.475 555 V N 0.531 120.449 119.914 0.007 0.000 2.261 555 V HA -0.163 3.881 4.120 -0.126 0.000 0.246 555 V C 2.781 178.881 176.094 0.010 0.000 1.047 555 V CA 2.431 64.738 62.300 0.011 0.000 1.015 555 V CB -1.878 29.949 31.823 0.007 0.000 0.642 555 V HN 0.745 nan 8.190 nan 0.000 0.446 556 E N 0.826 121.030 120.200 0.006 0.000 2.058 556 E HA -0.308 3.967 4.350 -0.126 0.000 0.194 556 E C 2.133 178.738 176.600 0.007 0.000 0.997 556 E CA 1.822 58.224 56.400 0.004 0.000 0.801 556 E CB -0.583 29.118 29.700 0.002 0.000 0.746 556 E HN 0.567 nan 8.360 nan 0.000 0.450 557 K N -0.196 120.209 120.400 0.008 0.000 1.991 557 K HA -0.074 4.170 4.320 -0.126 0.000 0.212 557 K C 2.393 179.001 176.600 0.013 0.000 1.049 557 K CA 1.493 57.786 56.287 0.010 0.000 0.932 557 K CB -1.103 31.403 32.500 0.010 0.000 0.717 557 K HN 0.565 nan 8.250 nan 0.000 0.441 558 c N 0.286 118.896 118.600 0.017 0.000 2.522 558 c HA 0.045 4.539 4.570 -0.126 0.000 0.271 558 c C 2.743 176.847 174.090 0.022 0.000 1.425 558 c CA -0.441 55.900 56.329 0.021 0.000 1.751 558 c CB -1.350 41.175 42.510 0.026 0.000 1.775 558 c HN 0.472 nan 8.230 nan 0.000 0.557 559 c N 0.526 119.138 118.600 0.019 0.000 2.527 559 c HA 0.086 4.580 4.570 -0.126 0.000 0.280 559 c C 3.003 177.102 174.090 0.015 0.000 1.353 559 c CA 1.467 57.807 56.329 0.019 0.000 1.749 559 c CB -0.855 41.664 42.510 0.016 0.000 2.088 559 c HN 0.708 nan 8.230 nan 0.000 0.508 560 K N 0.147 120.555 120.400 0.012 0.000 2.323 560 K HA 0.568 4.812 4.320 -0.126 0.000 0.197 560 K C 0.897 177.504 176.600 0.011 0.000 1.043 560 K CA 0.919 57.212 56.287 0.010 0.000 0.997 560 K CB -0.480 32.024 32.500 0.008 0.000 0.807 560 K HN 0.518 nan 8.250 nan 0.000 0.497 561 A N 1.901 124.729 122.820 0.013 0.000 2.451 561 A HA 0.219 4.464 4.320 -0.126 0.000 0.266 561 A C 0.993 178.586 177.584 0.014 0.000 1.119 561 A CA 0.068 52.113 52.037 0.013 0.000 0.786 561 A CB 0.136 19.145 19.000 0.015 0.000 1.061 561 A HN 0.452 nan 8.150 nan 0.000 0.503 562 D N 2.565 122.973 120.400 0.013 0.000 2.149 562 D HA -0.113 4.451 4.640 -0.126 0.000 0.198 562 D C 0.888 177.197 176.300 0.015 0.000 0.990 562 D CA 1.455 55.462 54.000 0.013 0.000 0.839 562 D CB -0.201 40.606 40.800 0.011 0.000 0.948 562 D HN 0.832 nan 8.370 nan 0.000 0.460 563 D N 0.248 120.657 120.400 0.015 0.000 2.515 563 D HA 0.301 4.865 4.640 -0.126 0.000 0.232 563 D C 0.705 177.017 176.300 0.020 0.000 1.157 563 D CA 0.933 54.943 54.000 0.017 0.000 0.871 563 D CB -0.184 40.626 40.800 0.017 0.000 1.200 563 D HN 0.495 nan 8.370 nan 0.000 0.466 564 K N -0.009 120.404 120.400 0.022 0.000 2.323 564 K HA 0.471 4.715 4.320 -0.126 0.000 0.259 564 K C 1.613 178.233 176.600 0.032 0.000 0.993 564 K CA 0.939 57.242 56.287 0.027 0.000 0.866 564 K CB -1.069 31.447 32.500 0.028 0.000 0.997 564 K HN 1.493 nan 8.250 nan 0.000 0.524 565 E N 0.007 120.232 120.200 0.041 0.000 2.565 565 E HA 0.224 4.498 4.350 -0.126 0.000 0.212 565 E C 1.686 178.315 176.600 0.049 0.000 1.341 565 E CA 1.390 57.819 56.400 0.050 0.000 1.236 565 E CB -1.823 27.919 29.700 0.070 0.000 1.246 565 E HN 0.970 nan 8.360 nan 0.000 0.446 566 T N -1.491 113.086 114.554 0.038 0.000 2.983 566 T HA -0.006 4.268 4.350 -0.126 0.000 0.250 566 T C 2.209 176.926 174.700 0.029 0.000 1.037 566 T CA 1.329 63.450 62.100 0.034 0.000 1.142 566 T CB -0.709 68.177 68.868 0.029 0.000 0.876 566 T HN 0.903 nan 8.240 nan 0.000 0.455 567 c N 0.662 119.278 118.600 0.027 0.000 2.409 567 c HA 0.172 4.666 4.570 -0.126 0.000 0.288 567 c C 2.549 176.656 174.090 0.028 0.000 1.395 567 c CA 1.186 57.530 56.329 0.025 0.000 1.792 567 c CB -2.214 40.309 42.510 0.021 0.000 1.847 567 c HN 0.528 nan 8.230 nan 0.000 0.534 568 F N 0.125 120.095 119.950 0.033 0.000 2.407 568 F HA 0.441 4.892 4.527 -0.126 0.000 0.299 568 F C 2.424 178.248 175.800 0.040 0.000 1.097 568 F CA 1.331 59.354 58.000 0.038 0.000 1.422 568 F CB -1.114 37.911 39.000 0.042 0.000 1.067 568 F HN 0.627 nan 8.300 nan 0.000 0.539 569 A N -0.764 122.074 122.820 0.031 0.000 1.901 569 A HA 0.129 4.373 4.320 -0.126 0.000 0.210 569 A C 2.007 179.608 177.584 0.028 0.000 1.208 569 A CA 1.000 53.052 52.037 0.024 0.000 0.644 569 A CB -0.546 18.462 19.000 0.015 0.000 0.863 569 A HN 0.369 nan 8.150 nan 0.000 0.454 570 E N 0.552 120.767 120.200 0.025 0.000 2.015 570 E HA -0.157 4.117 4.350 -0.126 0.000 0.191 570 E C 1.815 178.430 176.600 0.025 0.000 0.991 570 E CA 1.482 57.896 56.400 0.023 0.000 0.802 570 E CB -0.493 29.218 29.700 0.019 0.000 0.759 570 E HN 0.608 nan 8.360 nan 0.000 0.447 571 E N 0.173 120.388 120.200 0.025 0.000 2.274 571 E HA -0.038 4.236 4.350 -0.126 0.000 0.194 571 E C 1.901 178.522 176.600 0.034 0.000 0.996 571 E CA 0.871 57.285 56.400 0.024 0.000 0.840 571 E CB -0.434 29.279 29.700 0.021 0.000 0.772 571 E HN 0.347 nan 8.360 nan 0.000 0.491 572 G N 0.508 109.335 108.800 0.045 0.000 2.421 572 G HA2 -0.280 3.604 3.960 -0.126 0.000 0.217 572 G HA3 -0.280 3.604 3.960 -0.126 0.000 0.217 572 G C 1.738 176.690 174.900 0.087 0.000 1.143 572 G CA 1.163 46.306 45.100 0.073 0.000 0.784 572 G HN 0.415 nan 8.290 nan 0.000 0.541 573 K N 0.209 120.646 120.400 0.061 0.000 2.243 573 K HA 0.324 4.568 4.320 -0.126 0.000 0.201 573 K C 2.501 179.122 176.600 0.034 0.000 1.051 573 K CA 1.678 57.997 56.287 0.054 0.000 0.970 573 K CB -0.831 31.692 32.500 0.037 0.000 0.755 573 K HN 0.572 nan 8.250 nan 0.000 0.465 574 K N 0.473 120.890 120.400 0.027 0.000 2.062 574 K HA 0.197 4.441 4.320 -0.126 0.000 0.205 574 K C 2.154 178.760 176.600 0.011 0.000 1.051 574 K CA 1.408 57.703 56.287 0.015 0.000 0.941 574 K CB -0.723 31.785 32.500 0.014 0.000 0.719 574 K HN 0.285 nan 8.250 nan 0.000 0.440 575 L N 0.701 121.935 121.223 0.019 0.000 2.156 575 L HA -0.001 4.263 4.340 -0.126 0.000 0.208 575 L C 2.397 179.269 176.870 0.002 0.000 1.095 575 L CA 1.120 55.966 54.840 0.010 0.000 0.770 575 L CB -0.058 42.008 42.059 0.012 0.000 0.914 575 L HN 0.176 nan 8.230 nan 0.000 0.439 576 V N -0.113 119.815 119.914 0.022 0.000 2.407 576 V HA -0.288 3.756 4.120 -0.126 0.000 0.248 576 V C 2.764 178.819 176.094 -0.066 0.000 1.055 576 V CA 1.532 63.826 62.300 -0.009 0.000 1.049 576 V CB -1.371 30.466 31.823 0.024 0.000 0.662 576 V HN 0.578 nan 8.190 nan 0.000 0.455 577 A N 0.068 122.864 122.820 -0.040 0.000 1.902 577 A HA -0.110 4.135 4.320 -0.126 0.000 0.217 577 A C 2.432 179.993 177.584 -0.038 0.000 1.181 577 A CA 2.139 54.150 52.037 -0.043 0.000 0.623 577 A CB -0.771 18.215 19.000 -0.023 0.000 0.818 577 A HN 0.561 nan 8.150 nan 0.000 0.443 578 A N 0.351 123.155 122.820 -0.026 0.000 1.873 578 A HA -0.070 4.174 4.320 -0.126 0.000 0.215 578 A C 2.522 180.089 177.584 -0.027 0.000 1.186 578 A CA 2.346 54.370 52.037 -0.022 0.000 0.616 578 A CB -1.113 17.879 19.000 -0.014 0.000 0.823 578 A HN 0.965 nan 8.150 nan 0.000 0.442 579 S N -0.670 115.009 115.700 -0.035 0.000 2.359 579 S HA -0.260 4.134 4.470 -0.126 0.000 0.223 579 S C 2.268 176.844 174.600 -0.039 0.000 1.039 579 S CA 2.272 60.449 58.200 -0.039 0.000 1.042 579 S CB -1.311 61.858 63.200 -0.052 0.000 0.915 579 S HN 0.987 nan 8.310 nan 0.000 0.439 580 Q N 1.256 121.016 119.800 -0.067 0.000 2.181 580 Q HA 0.146 4.410 4.340 -0.126 0.000 0.205 580 Q C 2.496 178.479 176.000 -0.027 0.000 0.980 580 Q CA 2.177 57.945 55.803 -0.058 0.000 0.862 580 Q CB -1.628 27.050 28.738 -0.099 0.000 0.905 580 Q HN 1.039 nan 8.270 nan 0.000 0.429 581 A N 0.300 123.104 122.820 -0.027 0.000 1.978 581 A HA 0.408 4.652 4.320 -0.126 0.000 0.220 581 A C 1.782 179.360 177.584 -0.010 0.000 1.170 581 A CA 1.418 53.445 52.037 -0.017 0.000 0.636 581 A CB -0.631 18.360 19.000 -0.016 0.000 0.810 581 A HN 1.155 nan 8.150 nan 0.000 0.448 582 A N 0.000 122.815 122.820 -0.008 0.000 2.254 582 A HA 0.000 4.244 4.320 -0.126 0.000 0.244 582 A CA 0.000 52.035 52.037 -0.003 0.000 0.836 582 A CB 0.000 18.998 19.000 -0.004 0.000 0.831 582 A HN 0.000 nan 8.150 nan 0.000 0.486