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 2vuf_1_A DATA FIRST_RESID 5 DATA SEQUENCE SEVAHRFKDL GEENFKALVL IAFAQYLQQC PFEDHVKLVN EVTEFAKTcV DATA SEQUENCE ADESAENcDK SLHTLFGDKL cTVAXXXXXX XXXXDccAKQ 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 ETcFAE 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 0.000 174.706 174.600 0.177 0.000 1.055 5 S CA 0.000 58.277 58.200 0.128 0.000 1.107 5 S CB 0.000 63.261 63.200 0.102 0.000 0.593 6 E N 3.016 123.330 120.200 0.190 0.000 2.075 6 E HA 0.105 4.408 4.350 -0.078 0.000 0.190 6 E C 1.879 178.638 176.600 0.265 0.000 0.969 6 E CA 1.435 57.962 56.400 0.212 0.000 0.815 6 E CB -0.990 28.799 29.700 0.148 0.000 0.776 6 E HN 0.756 nan 8.360 nan 0.000 0.457 7 V N 1.665 121.746 119.914 0.278 0.000 2.317 7 V HA -0.276 3.797 4.120 -0.078 0.000 0.251 7 V C 2.922 179.231 176.094 0.359 0.000 1.065 7 V CA 2.218 64.737 62.300 0.365 0.000 1.049 7 V CB -1.187 30.852 31.823 0.358 0.000 0.651 7 V HN 0.658 nan 8.190 nan 0.000 0.450 8 A N -0.356 122.612 122.820 0.246 0.000 1.841 8 A HA -0.311 3.963 4.320 -0.078 0.000 0.216 8 A C 2.224 179.972 177.584 0.273 0.000 1.199 8 A CA 2.103 54.244 52.037 0.173 0.000 0.621 8 A CB -1.055 17.995 19.000 0.083 0.000 0.835 8 A HN 0.667 nan 8.150 nan 0.000 0.445 9 H N 0.585 119.745 119.070 0.149 0.000 2.266 9 H HA -0.215 4.295 4.556 -0.077 0.000 0.286 9 H C 2.163 177.599 175.328 0.181 0.000 1.102 9 H CA 2.546 58.678 56.048 0.141 0.000 1.182 9 H CB -0.195 29.641 29.762 0.123 0.000 1.345 9 H HN 0.334 nan 8.280 nan 0.000 0.485 10 R N -0.494 120.268 120.500 0.437 0.000 2.096 10 R HA -0.127 4.167 4.340 -0.078 0.000 0.235 10 R C 2.565 179.102 176.300 0.395 0.000 1.127 10 R CA 0.978 57.290 56.100 0.353 0.000 0.968 10 R CB -1.519 28.964 30.300 0.304 0.000 0.861 10 R HN 0.346 nan 8.270 nan 0.000 0.440 11 F N 2.391 122.500 119.950 0.266 0.000 2.134 11 F HA -0.224 4.258 4.527 -0.076 0.000 0.299 11 F C 2.704 178.549 175.800 0.075 0.000 1.097 11 F CA 2.288 60.348 58.000 0.099 0.000 1.264 11 F CB -0.442 38.456 39.000 -0.171 0.000 1.001 11 F HN 0.109 nan 8.300 nan 0.000 0.479 12 K N -0.102 120.532 120.400 0.390 0.000 2.097 12 K HA -0.141 4.132 4.320 -0.078 0.000 0.206 12 K C 1.778 178.489 176.600 0.185 0.000 1.049 12 K CA 1.928 58.365 56.287 0.250 0.000 0.933 12 K CB -1.219 31.367 32.500 0.142 0.000 0.717 12 K HN 0.425 nan 8.250 nan 0.000 0.442 13 D N 0.084 120.605 120.400 0.201 0.000 2.162 13 D HA 0.010 4.603 4.640 -0.078 0.000 0.203 13 D C 1.917 178.288 176.300 0.118 0.000 0.967 13 D CA 1.142 55.239 54.000 0.161 0.000 0.840 13 D CB 0.220 41.141 40.800 0.203 0.000 0.972 13 D HN 0.421 nan 8.370 nan 0.000 0.482 14 L N -0.324 120.966 121.223 0.110 0.000 2.357 14 L HA 0.247 4.541 4.340 -0.078 0.000 0.211 14 L C 1.237 178.118 176.870 0.019 0.000 1.075 14 L CA 0.364 55.242 54.840 0.064 0.000 0.830 14 L CB 0.011 42.112 42.059 0.071 0.000 0.996 14 L HN 0.056 nan 8.230 nan 0.000 0.467 15 G N -0.578 108.198 108.800 -0.041 0.000 2.663 15 G HA2 -0.105 3.808 3.960 -0.078 0.000 0.686 15 G HA3 -0.105 3.808 3.960 -0.078 0.000 0.686 15 G C 0.283 174.998 174.900 -0.308 0.000 1.288 15 G CA -0.029 45.023 45.100 -0.081 0.000 0.836 15 G HN 0.135 nan 8.290 nan 0.000 0.584 16 E N -0.037 120.047 120.200 -0.193 0.000 2.005 16 E HA -0.124 4.179 4.350 -0.078 0.000 0.198 16 E C 2.204 178.766 176.600 -0.065 0.000 1.010 16 E CA 2.828 59.114 56.400 -0.190 0.000 0.825 16 E CB -0.850 28.901 29.700 0.085 0.000 0.769 16 E HN 1.577 nan 8.360 nan 0.000 0.456 17 E N 1.495 121.700 120.200 0.008 0.000 2.072 17 E HA -0.298 4.005 4.350 -0.078 0.000 0.218 17 E C 2.057 178.681 176.600 0.041 0.000 1.051 17 E CA 2.381 58.804 56.400 0.038 0.000 0.880 17 E CB -0.509 29.216 29.700 0.042 0.000 0.783 17 E HN 0.466 nan 8.360 nan 0.000 0.473 18 N N -0.593 118.124 118.700 0.028 0.000 2.043 18 N HA -0.169 4.525 4.740 -0.078 0.000 0.193 18 N C 1.687 177.209 175.510 0.019 0.000 1.037 18 N CA 1.425 54.489 53.050 0.024 0.000 0.851 18 N CB -0.802 37.698 38.487 0.022 0.000 1.027 18 N HN 0.314 nan 8.380 nan 0.000 0.422 19 F N 2.153 122.004 119.950 -0.165 0.000 2.087 19 F HA -0.277 4.206 4.527 -0.074 0.000 0.299 19 F C 2.393 178.134 175.800 -0.098 0.000 1.100 19 F CA 2.622 60.509 58.000 -0.188 0.000 1.226 19 F CB -0.656 38.043 39.000 -0.502 0.000 0.983 19 F HN 0.096 nan 8.300 nan 0.000 0.479 20 K N 0.337 120.862 120.400 0.209 0.000 2.147 20 K HA 0.132 4.406 4.320 -0.078 0.000 0.205 20 K C 2.230 178.844 176.600 0.023 0.000 1.049 20 K CA 1.430 57.807 56.287 0.151 0.000 0.936 20 K CB -1.667 30.919 32.500 0.142 0.000 0.722 20 K HN 0.573 nan 8.250 nan 0.000 0.446 21 A N 0.936 123.763 122.820 0.012 0.000 1.840 21 A HA 0.112 4.385 4.320 -0.078 0.000 0.214 21 A C 2.439 180.001 177.584 -0.037 0.000 1.198 21 A CA 1.274 53.313 52.037 0.003 0.000 0.608 21 A CB -0.356 18.655 19.000 0.019 0.000 0.839 21 A HN 0.386 nan 8.150 nan 0.000 0.443 22 L N -0.153 121.026 121.223 -0.073 0.000 1.997 22 L HA -0.233 4.060 4.340 -0.078 0.000 0.216 22 L C 2.557 179.381 176.870 -0.076 0.000 1.074 22 L CA 1.622 56.404 54.840 -0.096 0.000 0.763 22 L CB -0.810 41.169 42.059 -0.133 0.000 0.890 22 L HN 0.259 nan 8.230 nan 0.000 0.434 23 V N -0.134 119.711 119.914 -0.115 0.000 2.392 23 V HA -0.288 3.785 4.120 -0.078 0.000 0.249 23 V C 2.367 178.551 176.094 0.151 0.000 1.059 23 V CA 1.646 63.985 62.300 0.065 0.000 1.051 23 V CB -0.439 31.329 31.823 -0.092 0.000 0.658 23 V HN 0.342 nan 8.190 nan 0.000 0.455 24 L N 0.193 121.420 121.223 0.007 0.000 2.017 24 L HA -0.121 4.172 4.340 -0.078 0.000 0.208 24 L C 2.191 179.085 176.870 0.039 0.000 1.073 24 L CA 1.884 56.724 54.840 -0.001 0.000 0.745 24 L CB -0.571 41.494 42.059 0.010 0.000 0.894 24 L HN 0.241 nan 8.230 nan 0.000 0.432 25 I N -0.053 120.513 120.570 -0.008 0.000 2.151 25 I HA -0.351 3.773 4.170 -0.078 0.000 0.243 25 I C 2.645 178.716 176.117 -0.077 0.000 1.080 25 I CA 1.353 62.612 61.300 -0.068 0.000 1.339 25 I CB -0.880 37.059 38.000 -0.101 0.000 1.039 25 I HN 0.396 nan 8.210 nan 0.000 0.409 26 A N 0.891 123.691 122.820 -0.034 0.000 1.908 26 A HA -0.216 4.057 4.320 -0.078 0.000 0.218 26 A C 2.085 179.602 177.584 -0.111 0.000 1.181 26 A CA 1.740 53.679 52.037 -0.163 0.000 0.627 26 A CB -0.979 17.942 19.000 -0.132 0.000 0.818 26 A HN 0.339 nan 8.150 nan 0.000 0.445 27 F N 0.006 119.927 119.950 -0.049 0.000 2.146 27 F HA -0.012 4.467 4.527 -0.079 0.000 0.298 27 F C 2.777 178.530 175.800 -0.078 0.000 1.096 27 F CA 0.826 58.860 58.000 0.056 0.000 1.275 27 F CB -0.679 38.417 39.000 0.161 0.000 1.008 27 F HN 0.245 nan 8.300 nan 0.000 0.480 28 A N -0.696 122.057 122.820 -0.112 0.000 2.015 28 A HA -0.169 4.104 4.320 -0.078 0.000 0.219 28 A C 1.974 179.499 177.584 -0.099 0.000 1.163 28 A CA 1.240 53.160 52.037 -0.194 0.000 0.646 28 A CB -0.612 18.283 19.000 -0.174 0.000 0.806 28 A HN 0.478 nan 8.150 nan 0.000 0.448 29 Q N -2.415 117.299 119.800 -0.144 0.000 2.360 29 Q HA 0.062 4.355 4.340 -0.078 0.000 0.202 29 Q C 0.785 176.686 176.000 -0.165 0.000 0.915 29 Q CA 0.318 55.995 55.803 -0.210 0.000 0.943 29 Q CB 0.149 28.683 28.738 -0.339 0.000 1.064 29 Q HN 0.779 nan 8.270 nan 0.000 0.511 30 Y N -0.640 119.596 120.300 -0.107 0.000 2.472 30 Y HA 0.203 4.709 4.550 -0.073 0.000 0.288 30 Y C 1.223 177.112 175.900 -0.019 0.000 1.154 30 Y CA 0.068 58.087 58.100 -0.135 0.000 1.238 30 Y CB 0.263 38.516 38.460 -0.345 0.000 1.287 30 Y HN -0.050 nan 8.280 nan 0.000 0.524 31 L N 0.769 122.136 121.223 0.239 0.000 2.719 31 L HA 0.412 4.705 4.340 -0.078 0.000 0.236 31 L C 0.881 177.915 176.870 0.274 0.000 1.221 31 L CA -0.192 54.787 54.840 0.231 0.000 1.048 31 L CB -0.901 41.286 42.059 0.213 0.000 1.364 31 L HN 0.215 nan 8.230 nan 0.000 0.447 32 Q N -0.081 119.822 119.800 0.172 0.000 2.449 32 Q HA -0.203 4.090 4.340 -0.078 0.000 0.214 32 Q C 2.318 178.399 176.000 0.135 0.000 0.986 32 Q CA 2.130 58.000 55.803 0.112 0.000 0.893 32 Q CB -0.042 28.719 28.738 0.039 0.000 0.940 32 Q HN 0.980 nan 8.270 nan 0.000 0.477 33 Q N -0.411 119.482 119.800 0.155 0.000 2.339 33 Q HA 0.065 4.358 4.340 -0.078 0.000 0.205 33 Q C 1.092 177.189 176.000 0.162 0.000 0.925 33 Q CA 0.607 56.489 55.803 0.131 0.000 0.898 33 Q CB -0.188 28.604 28.738 0.091 0.000 1.013 33 Q HN 0.384 nan 8.270 nan 0.000 0.504 34 C N 2.067 121.475 119.300 0.180 0.000 2.644 34 C HA 0.420 4.834 4.460 -0.078 0.000 0.417 34 C C -1.943 173.168 174.990 0.202 0.000 1.304 34 C CA -1.089 57.982 59.018 0.088 0.000 2.035 34 C CB 0.890 28.562 27.740 -0.112 0.000 2.673 34 C HN 0.502 nan 8.230 nan 0.000 0.602 35 P HA 0.031 nan 4.420 nan 0.000 0.269 35 P C 0.623 177.929 177.300 0.010 0.000 1.215 35 P CA -0.177 63.003 63.100 0.133 0.000 0.780 35 P CB 0.234 31.963 31.700 0.049 0.000 0.898 36 F N 2.769 122.478 119.950 -0.402 0.000 2.115 36 F HA -0.279 4.201 4.527 -0.078 0.000 0.300 36 F C 1.653 177.268 175.800 -0.310 0.000 1.092 36 F CA 2.012 59.540 58.000 -0.787 0.000 1.245 36 F CB -0.720 37.803 39.000 -0.795 0.000 0.995 36 F HN 0.332 nan 8.300 nan 0.000 0.481 37 E N 0.470 120.400 120.200 -0.449 0.000 2.021 37 E HA -0.237 4.066 4.350 -0.078 0.000 0.200 37 E C 1.917 178.306 176.600 -0.352 0.000 1.015 37 E CA 1.882 58.007 56.400 -0.458 0.000 0.824 37 E CB -0.668 28.900 29.700 -0.219 0.000 0.762 37 E HN 0.395 nan 8.360 nan 0.000 0.454 38 D N -0.397 119.856 120.400 -0.245 0.000 2.265 38 D HA -0.149 4.444 4.640 -0.078 0.000 0.208 38 D C 1.699 177.861 176.300 -0.231 0.000 0.977 38 D CA 0.933 54.804 54.000 -0.215 0.000 0.871 38 D CB -0.126 40.556 40.800 -0.197 0.000 0.925 38 D HN 0.288 nan 8.370 nan 0.000 0.485 39 H N -0.037 118.916 119.070 -0.194 0.000 2.343 39 H HA 0.024 4.535 4.556 -0.076 0.000 0.303 39 H C 2.393 177.535 175.328 -0.311 0.000 1.068 39 H CA 0.507 56.451 56.048 -0.174 0.000 1.359 39 H CB -0.207 29.509 29.762 -0.076 0.000 1.402 39 H HN -0.011 nan 8.280 nan 0.000 0.515 40 V N 1.590 121.335 119.914 -0.282 0.000 2.252 40 V HA -0.304 3.769 4.120 -0.078 0.000 0.249 40 V C 2.627 178.582 176.094 -0.232 0.000 1.056 40 V CA 2.272 64.379 62.300 -0.322 0.000 1.022 40 V CB -0.543 30.971 31.823 -0.516 0.000 0.641 40 V HN 0.343 nan 8.190 nan 0.000 0.445 41 K N 0.049 120.320 120.400 -0.215 0.000 2.020 41 K HA -0.218 4.055 4.320 -0.078 0.000 0.212 41 K C 2.129 178.646 176.600 -0.138 0.000 1.050 41 K CA 2.002 58.200 56.287 -0.150 0.000 0.929 41 K CB -0.323 32.100 32.500 -0.127 0.000 0.714 41 K HN 0.435 nan 8.250 nan 0.000 0.443 42 L N 0.705 121.829 121.223 -0.165 0.000 2.083 42 L HA -0.162 4.132 4.340 -0.078 0.000 0.209 42 L C 2.457 179.141 176.870 -0.310 0.000 1.083 42 L CA 0.747 55.482 54.840 -0.175 0.000 0.752 42 L CB -0.434 41.561 42.059 -0.106 0.000 0.899 42 L HN 0.081 nan 8.230 nan 0.000 0.433 43 V N 0.214 119.884 119.914 -0.406 0.000 2.295 43 V HA -0.254 3.819 4.120 -0.078 0.000 0.246 43 V C 2.285 178.309 176.094 -0.117 0.000 1.049 43 V CA 1.785 63.867 62.300 -0.363 0.000 1.024 43 V CB -0.615 31.039 31.823 -0.282 0.000 0.648 43 V HN 0.492 nan 8.190 nan 0.000 0.447 44 N N 0.307 118.956 118.700 -0.085 0.000 2.028 44 N HA -0.174 4.519 4.740 -0.078 0.000 0.194 44 N C 1.823 177.342 175.510 0.015 0.000 1.050 44 N CA 1.646 54.688 53.050 -0.013 0.000 0.848 44 N CB -0.493 37.975 38.487 -0.032 0.000 1.038 44 N HN 0.561 nan 8.380 nan 0.000 0.423 45 E N 0.511 120.704 120.200 -0.012 0.000 2.108 45 E HA -0.177 4.126 4.350 -0.078 0.000 0.203 45 E C 1.975 178.612 176.600 0.062 0.000 1.022 45 E CA 1.292 57.703 56.400 0.019 0.000 0.823 45 E CB -0.126 29.570 29.700 -0.006 0.000 0.744 45 E HN 0.083 nan 8.360 nan 0.000 0.456 46 V N 0.878 120.808 119.914 0.026 0.000 2.427 46 V HA -0.224 3.849 4.120 -0.078 0.000 0.248 46 V C 2.265 178.485 176.094 0.210 0.000 1.051 46 V CA 2.097 64.430 62.300 0.056 0.000 1.048 46 V CB -0.576 31.225 31.823 -0.036 0.000 0.666 46 V HN 0.346 nan 8.190 nan 0.000 0.456 47 T N -0.765 113.922 114.554 0.222 0.000 2.777 47 T HA -0.175 4.128 4.350 -0.078 0.000 0.266 47 T C 1.863 176.651 174.700 0.146 0.000 1.040 47 T CA 1.518 63.782 62.100 0.274 0.000 1.141 47 T CB -0.174 68.847 68.868 0.255 0.000 0.868 47 T HN 0.413 nan 8.240 nan 0.000 0.444 48 E N 1.255 121.521 120.200 0.110 0.000 2.021 48 E HA -0.157 4.146 4.350 -0.078 0.000 0.200 48 E C 1.729 178.359 176.600 0.050 0.000 1.015 48 E CA 1.364 57.797 56.400 0.054 0.000 0.824 48 E CB -0.803 28.931 29.700 0.056 0.000 0.762 48 E HN 0.475 nan 8.360 nan 0.000 0.454 49 F N 0.433 120.366 119.950 -0.029 0.000 2.184 49 F HA -0.304 4.177 4.527 -0.078 0.000 0.301 49 F C 1.992 177.754 175.800 -0.062 0.000 1.076 49 F CA 1.872 59.851 58.000 -0.035 0.000 1.295 49 F CB -0.395 38.598 39.000 -0.012 0.000 1.026 49 F HN 0.143 nan 8.300 nan 0.000 0.494 50 A N 0.063 122.975 122.820 0.153 0.000 1.873 50 A HA -0.197 4.076 4.320 -0.078 0.000 0.215 50 A C 2.202 179.570 177.584 -0.361 0.000 1.186 50 A CA 1.721 53.744 52.037 -0.023 0.000 0.616 50 A CB -0.649 18.347 19.000 -0.008 0.000 0.823 50 A HN 0.442 nan 8.150 nan 0.000 0.442 51 K N -0.503 119.652 120.400 -0.408 0.000 2.152 51 K HA -0.149 4.124 4.320 -0.078 0.000 0.206 51 K C 2.222 178.611 176.600 -0.352 0.000 1.048 51 K CA 1.801 57.802 56.287 -0.476 0.000 0.933 51 K CB -0.347 31.964 32.500 -0.315 0.000 0.721 51 K HN 0.765 nan 8.250 nan 0.000 0.447 52 T N -1.539 112.822 114.554 -0.322 0.000 2.896 52 T HA -0.103 4.200 4.350 -0.078 0.000 0.263 52 T C 2.209 176.729 174.700 -0.300 0.000 1.050 52 T CA 1.026 62.944 62.100 -0.303 0.000 1.140 52 T CB -0.600 68.054 68.868 -0.358 0.000 0.877 52 T HN 0.215 nan 8.240 nan 0.000 0.457 53 c N 1.418 119.813 118.600 -0.342 0.000 2.419 53 c HA 0.093 4.617 4.570 -0.078 0.000 0.283 53 c C 2.850 176.838 174.090 -0.170 0.000 1.373 53 c CA 0.217 56.406 56.329 -0.232 0.000 1.781 53 c CB -1.333 41.090 42.510 -0.145 0.000 1.886 53 c HN 0.489 nan 8.230 nan 0.000 0.520 54 V N 1.320 121.096 119.914 -0.231 0.000 2.307 54 V HA -0.160 3.913 4.120 -0.078 0.000 0.245 54 V C 2.669 178.672 176.094 -0.152 0.000 1.045 54 V CA 2.208 64.383 62.300 -0.208 0.000 1.024 54 V CB -1.271 30.357 31.823 -0.324 0.000 0.651 54 V HN 0.582 nan 8.190 nan 0.000 0.449 55 A N 0.240 122.962 122.820 -0.163 0.000 1.825 55 A HA -0.021 4.252 4.320 -0.078 0.000 0.214 55 A C 1.460 178.984 177.584 -0.100 0.000 1.206 55 A CA 1.525 53.488 52.037 -0.123 0.000 0.609 55 A CB -1.052 17.872 19.000 -0.126 0.000 0.851 55 A HN 0.581 nan 8.150 nan 0.000 0.445 56 D N -0.215 120.118 120.400 -0.113 0.000 2.373 56 D HA 0.496 5.090 4.640 -0.078 0.000 0.227 56 D C 0.010 176.259 176.300 -0.085 0.000 1.091 56 D CA 0.012 53.959 54.000 -0.089 0.000 0.840 56 D CB 0.449 41.194 40.800 -0.093 0.000 1.060 56 D HN 0.505 nan 8.370 nan 0.000 0.502 57 E N 0.965 121.134 120.200 -0.053 0.000 2.330 57 E HA 0.188 4.491 4.350 -0.078 0.000 0.210 57 E C 0.503 177.097 176.600 -0.009 0.000 1.256 57 E CA 0.156 56.539 56.400 -0.029 0.000 1.346 57 E CB 0.004 29.696 29.700 -0.012 0.000 1.308 57 E HN 0.413 nan 8.360 nan 0.000 0.441 58 S N -1.546 114.141 115.700 -0.023 0.000 2.857 58 S HA 0.265 4.688 4.470 -0.078 0.000 0.238 58 S C 0.724 175.316 174.600 -0.013 0.000 0.875 58 S CA 0.244 58.443 58.200 -0.002 0.000 1.368 58 S CB -0.006 63.195 63.200 0.002 0.000 1.238 58 S HN 0.356 nan 8.310 nan 0.000 0.635 59 A N 1.953 124.740 122.820 -0.055 0.000 3.071 59 A HA 0.200 4.473 4.320 -0.078 0.000 0.173 59 A C 1.852 179.422 177.584 -0.023 0.000 0.902 59 A CA 2.097 54.089 52.037 -0.076 0.000 1.098 59 A CB -1.636 17.257 19.000 -0.178 0.000 0.802 59 A HN 0.940 nan 8.150 nan 0.000 0.562 60 E N -0.957 119.230 120.200 -0.022 0.000 1.987 60 E HA -0.092 4.212 4.350 -0.078 0.000 0.198 60 E C 1.255 177.963 176.600 0.180 0.000 0.968 60 E CA 1.669 58.138 56.400 0.115 0.000 0.867 60 E CB -0.768 29.093 29.700 0.267 0.000 0.819 60 E HN 0.710 nan 8.360 nan 0.000 0.516 61 N N -1.180 117.733 118.700 0.356 0.000 2.235 61 N HA 0.166 4.860 4.740 -0.078 0.000 0.231 61 N C 0.785 176.469 175.510 0.289 0.000 1.177 61 N CA 0.180 53.385 53.050 0.258 0.000 0.874 61 N CB 0.316 38.907 38.487 0.174 0.000 1.097 61 N HN 0.443 nan 8.380 nan 0.000 0.518 62 c N 1.321 120.109 118.600 0.314 0.000 2.385 62 c HA -0.130 4.393 4.570 -0.078 0.000 0.306 62 c C 2.032 176.224 174.090 0.171 0.000 1.433 62 c CA 0.884 57.364 56.329 0.252 0.000 1.796 62 c CB -1.037 41.525 42.510 0.086 0.000 1.749 62 c HN 0.600 nan 8.230 nan 0.000 0.565 63 D N 0.692 121.176 120.400 0.140 0.000 2.249 63 D HA -0.044 4.550 4.640 -0.078 0.000 0.205 63 D C 0.813 177.180 176.300 0.112 0.000 0.962 63 D CA 0.421 54.486 54.000 0.108 0.000 0.860 63 D CB -0.178 40.672 40.800 0.084 0.000 0.955 63 D HN 0.457 nan 8.370 nan 0.000 0.505 64 K N 1.038 121.511 120.400 0.120 0.000 2.188 64 K HA 0.157 4.430 4.320 -0.078 0.000 0.246 64 K C 0.735 177.407 176.600 0.119 0.000 1.026 64 K CA -0.095 56.257 56.287 0.108 0.000 0.871 64 K CB 0.428 32.984 32.500 0.094 0.000 1.042 64 K HN 0.125 nan 8.250 nan 0.000 0.509 65 S N 0.313 116.083 115.700 0.117 0.000 2.616 65 S HA 0.137 4.561 4.470 -0.078 0.000 0.277 65 S C 1.215 175.896 174.600 0.136 0.000 1.234 65 S CA -0.848 57.424 58.200 0.119 0.000 1.028 65 S CB 0.737 64.015 63.200 0.130 0.000 0.988 65 S HN 0.395 nan 8.310 nan 0.000 0.522 66 L N 1.921 123.209 121.223 0.108 0.000 1.965 66 L HA -0.188 4.105 4.340 -0.078 0.000 0.226 66 L C 2.430 179.484 176.870 0.307 0.000 1.083 66 L CA 2.283 57.266 54.840 0.239 0.000 0.790 66 L CB -2.548 39.514 42.059 0.006 0.000 0.898 66 L HN 0.930 nan 8.230 nan 0.000 0.439 67 H N -0.920 118.266 119.070 0.193 0.000 2.260 67 H HA -0.241 4.268 4.556 -0.080 0.000 0.288 67 H C 2.129 177.554 175.328 0.161 0.000 1.094 67 H CA 2.153 58.280 56.048 0.132 0.000 1.197 67 H CB -0.782 29.020 29.762 0.067 0.000 1.346 67 H HN 0.369 nan 8.280 nan 0.000 0.486 68 T N 1.239 115.944 114.554 0.251 0.000 2.649 68 T HA -0.256 4.048 4.350 -0.078 0.000 0.268 68 T C 2.124 176.890 174.700 0.110 0.000 1.036 68 T CA 1.655 63.846 62.100 0.150 0.000 1.157 68 T CB -0.474 68.461 68.868 0.111 0.000 0.861 68 T HN 0.169 nan 8.240 nan 0.000 0.445 69 L N -0.616 120.673 121.223 0.109 0.000 1.937 69 L HA -0.030 4.264 4.340 -0.078 0.000 0.213 69 L C 2.417 179.296 176.870 0.016 0.000 1.077 69 L CA 1.619 56.448 54.840 -0.018 0.000 0.758 69 L CB -0.601 41.388 42.059 -0.117 0.000 0.888 69 L HN 0.190 nan 8.230 nan 0.000 0.433 70 F N 0.148 120.083 119.950 -0.025 0.000 2.147 70 F HA -0.212 4.270 4.527 -0.075 0.000 0.301 70 F C 2.446 178.133 175.800 -0.187 0.000 1.084 70 F CA 1.408 59.347 58.000 -0.102 0.000 1.268 70 F CB -1.484 37.406 39.000 -0.183 0.000 1.009 70 F HN 0.111 nan 8.300 nan 0.000 0.486 71 G N -0.285 108.579 108.800 0.106 0.000 2.421 71 G HA2 -0.220 3.693 3.960 -0.078 0.000 0.216 71 G HA3 -0.220 3.693 3.960 -0.078 0.000 0.216 71 G C 1.373 176.303 174.900 0.050 0.000 1.171 71 G CA 1.161 46.285 45.100 0.039 0.000 0.775 71 G HN 0.267 nan 8.290 nan 0.000 0.543 72 D N 0.470 120.898 120.400 0.047 0.000 2.178 72 D HA -0.036 4.557 4.640 -0.078 0.000 0.202 72 D C 2.398 178.711 176.300 0.022 0.000 0.974 72 D CA 0.554 54.573 54.000 0.031 0.000 0.841 72 D CB -0.052 40.752 40.800 0.007 0.000 0.953 72 D HN 0.111 nan 8.370 nan 0.000 0.478 73 K N 0.565 120.979 120.400 0.023 0.000 2.097 73 K HA -0.033 4.240 4.320 -0.078 0.000 0.206 73 K C 2.307 178.973 176.600 0.110 0.000 1.049 73 K CA 0.387 56.717 56.287 0.071 0.000 0.933 73 K CB -0.311 32.282 32.500 0.154 0.000 0.717 73 K HN 0.249 nan 8.250 nan 0.000 0.442 74 L N -0.180 121.073 121.223 0.051 0.000 2.131 74 L HA -0.100 4.193 4.340 -0.078 0.000 0.206 74 L C 2.282 179.177 176.870 0.042 0.000 1.087 74 L CA 0.495 55.349 54.840 0.024 0.000 0.767 74 L CB -0.322 41.617 42.059 -0.200 0.000 0.917 74 L HN 0.052 nan 8.230 nan 0.000 0.441 75 c N 0.203 118.840 118.600 0.060 0.000 2.452 75 c HA -0.095 4.428 4.570 -0.078 0.000 0.300 75 c C 2.557 176.672 174.090 0.042 0.000 1.509 75 c CA 1.393 57.768 56.329 0.077 0.000 1.722 75 c CB -1.845 40.715 42.510 0.084 0.000 1.591 75 c HN 0.636 nan 8.230 nan 0.000 0.592 76 T N -4.186 110.389 114.554 0.034 0.000 3.086 76 T HA 0.152 4.455 4.350 -0.078 0.000 0.250 76 T C 1.022 175.729 174.700 0.012 0.000 1.074 76 T CA 0.744 62.855 62.100 0.019 0.000 0.988 76 T CB 0.060 68.937 68.868 0.016 0.000 0.988 76 T HN 0.305 nan 8.240 nan 0.000 0.530 77 V N -0.158 119.767 119.914 0.017 0.000 3.305 77 V HA 0.525 4.598 4.120 -0.078 0.000 0.247 77 V C 1.828 177.930 176.094 0.012 0.000 1.426 77 V CA -0.150 62.152 62.300 0.004 0.000 1.162 77 V CB -0.431 31.383 31.823 -0.014 0.000 0.961 77 V HN 0.630 nan 8.190 nan 0.000 0.449 90 c N 0.207 118.593 118.600 -0.355 0.000 2.382 90 c HA -0.228 4.295 4.570 -0.078 0.000 0.274 90 c C 2.802 176.641 174.090 -0.418 0.000 1.180 90 c CA 1.732 57.736 56.329 -0.541 0.000 1.799 90 c CB -1.287 40.592 42.510 -1.051 0.000 2.094 90 c HN 0.832 nan 8.230 nan 0.000 0.468 91 c N 0.465 118.912 118.600 -0.254 0.000 2.500 91 c HA 0.195 4.718 4.570 -0.078 0.000 0.273 91 c C 2.568 176.605 174.090 -0.088 0.000 1.428 91 c CA 0.531 56.788 56.329 -0.120 0.000 1.766 91 c CB -1.580 40.911 42.510 -0.031 0.000 1.817 91 c HN 0.704 nan 8.230 nan 0.000 0.543 92 A N 0.390 123.150 122.820 -0.101 0.000 2.265 92 A HA 0.432 4.705 4.320 -0.078 0.000 0.213 92 A C 1.066 178.610 177.584 -0.067 0.000 1.255 92 A CA 1.173 53.168 52.037 -0.070 0.000 0.862 92 A CB -0.594 18.367 19.000 -0.066 0.000 0.852 92 A HN 0.613 nan 8.150 nan 0.000 0.484 93 K N -2.068 118.283 120.400 -0.082 0.000 2.208 93 K HA 0.866 5.140 4.320 -0.078 0.000 0.240 93 K C -0.359 176.214 176.600 -0.045 0.000 1.088 93 K CA 0.162 56.409 56.287 -0.068 0.000 0.902 93 K CB 0.129 32.573 32.500 -0.093 0.000 1.355 93 K HN 1.210 nan 8.250 nan 0.000 0.526 94 Q N 1.153 120.933 119.800 -0.033 0.000 2.345 94 Q HA 0.565 4.858 4.340 -0.078 0.000 0.275 94 Q C -0.675 175.321 176.000 -0.005 0.000 1.063 94 Q CA -0.817 54.981 55.803 -0.009 0.000 0.819 94 Q CB 0.939 29.677 28.738 0.000 0.000 1.356 94 Q HN 0.638 nan 8.270 nan 0.000 0.418 95 E N 1.879 122.089 120.200 0.017 0.000 2.534 95 E HA 0.024 4.327 4.350 -0.078 0.000 0.264 95 E C -1.429 175.182 176.600 0.018 0.000 0.981 95 E CA -1.001 55.412 56.400 0.022 0.000 0.948 95 E CB 0.705 30.445 29.700 0.067 0.000 0.934 95 E HN 0.577 nan 8.360 nan 0.000 0.459 96 P HA -0.021 nan 4.420 nan 0.000 0.235 96 P C 1.178 178.457 177.300 -0.035 0.000 1.177 96 P CA 1.345 64.438 63.100 -0.012 0.000 0.785 96 P CB 0.297 31.999 31.700 0.004 0.000 0.885 97 E N 0.961 121.143 120.200 -0.031 0.000 2.068 97 E HA -0.372 3.931 4.350 -0.078 0.000 0.207 97 E C 2.338 178.882 176.600 -0.094 0.000 1.032 97 E CA 2.828 59.197 56.400 -0.053 0.000 0.839 97 E CB -1.766 27.906 29.700 -0.047 0.000 0.758 97 E HN 0.298 nan 8.360 nan 0.000 0.457 98 R N 1.074 121.520 120.500 -0.089 0.000 2.112 98 R HA -0.255 4.039 4.340 -0.078 0.000 0.242 98 R C 2.333 178.538 176.300 -0.158 0.000 1.137 98 R CA 2.483 58.500 56.100 -0.138 0.000 0.944 98 R CB -1.825 28.452 30.300 -0.038 0.000 0.857 98 R HN 0.660 nan 8.270 nan 0.000 0.435 99 N N 0.555 119.223 118.700 -0.053 0.000 2.006 99 N HA -0.171 4.522 4.740 -0.078 0.000 0.196 99 N C 1.804 177.276 175.510 -0.065 0.000 1.057 99 N CA 2.230 55.258 53.050 -0.037 0.000 0.853 99 N CB -0.434 37.891 38.487 -0.271 0.000 1.051 99 N HN 0.734 nan 8.380 nan 0.000 0.423 100 E N -0.279 119.866 120.200 -0.093 0.000 2.273 100 E HA -0.206 4.097 4.350 -0.078 0.000 0.198 100 E C 2.148 178.723 176.600 -0.041 0.000 1.002 100 E CA 0.856 57.231 56.400 -0.041 0.000 0.828 100 E CB -0.429 29.280 29.700 0.016 0.000 0.747 100 E HN 0.509 nan 8.360 nan 0.000 0.491 101 c N 0.383 118.902 118.600 -0.136 0.000 2.413 101 c HA -0.196 4.327 4.570 -0.078 0.000 0.276 101 c C 2.388 176.447 174.090 -0.053 0.000 1.236 101 c CA 0.690 56.929 56.329 -0.150 0.000 1.735 101 c CB -1.200 41.092 42.510 -0.364 0.000 2.031 101 c HN 0.328 nan 8.230 nan 0.000 0.474 102 F N 1.288 121.184 119.950 -0.090 0.000 2.126 102 F HA -0.050 4.429 4.527 -0.080 0.000 0.299 102 F C 2.314 178.133 175.800 0.032 0.000 1.096 102 F CA 1.637 59.548 58.000 -0.149 0.000 1.255 102 F CB -0.938 37.663 39.000 -0.665 0.000 0.997 102 F HN 0.188 nan 8.300 nan 0.000 0.479 103 L N -0.618 120.742 121.223 0.228 0.000 2.042 103 L HA -0.242 4.052 4.340 -0.078 0.000 0.210 103 L C 2.488 179.445 176.870 0.144 0.000 1.076 103 L CA 1.252 56.214 54.840 0.203 0.000 0.749 103 L CB -0.708 41.421 42.059 0.116 0.000 0.893 103 L HN 0.181 nan 8.230 nan 0.000 0.432 104 Q N -0.707 119.138 119.800 0.075 0.000 2.436 104 Q HA -0.145 4.148 4.340 -0.078 0.000 0.209 104 Q C 1.132 177.038 176.000 -0.156 0.000 0.965 104 Q CA 1.147 56.924 55.803 -0.044 0.000 0.910 104 Q CB -0.002 28.662 28.738 -0.124 0.000 0.980 104 Q HN 0.631 nan 8.270 nan 0.000 0.491 105 H N -0.906 118.203 119.070 0.064 0.000 2.549 105 H HA 0.204 4.713 4.556 -0.078 0.000 0.279 105 H C -0.212 175.171 175.328 0.093 0.000 1.018 105 H CA -0.127 55.959 56.048 0.064 0.000 1.175 105 H CB 0.517 30.308 29.762 0.047 0.000 1.485 105 H HN -0.109 nan 8.280 nan 0.000 0.543 106 K N 1.656 122.161 120.400 0.175 0.000 2.416 106 K HA -0.016 4.257 4.320 -0.078 0.000 0.283 106 K C -0.400 176.275 176.600 0.124 0.000 1.037 106 K CA -0.077 56.284 56.287 0.123 0.000 0.995 106 K CB 0.542 33.048 32.500 0.011 0.000 0.938 106 K HN 0.176 nan 8.250 nan 0.000 0.475 107 D N 2.400 122.857 120.400 0.095 0.000 2.249 107 D HA 0.045 4.638 4.640 -0.078 0.000 0.246 107 D C 0.138 176.479 176.300 0.067 0.000 1.114 107 D CA -0.162 53.881 54.000 0.072 0.000 0.854 107 D CB 1.098 41.929 40.800 0.051 0.000 1.132 107 D HN 0.432 nan 8.370 nan 0.000 0.461 108 D N 2.319 122.758 120.400 0.066 0.000 2.323 108 D HA -0.087 4.507 4.640 -0.078 0.000 0.209 108 D C 0.063 176.345 176.300 -0.030 0.000 0.973 108 D CA 0.488 54.514 54.000 0.044 0.000 0.874 108 D CB 0.464 41.280 40.800 0.027 0.000 0.930 108 D HN 0.251 nan 8.370 nan 0.000 0.521 109 N N 0.734 119.418 118.700 -0.027 0.000 2.703 109 N HA 0.193 4.886 4.740 -0.078 0.000 0.283 109 N C -2.779 172.713 175.510 -0.031 0.000 1.851 109 N CA -1.385 51.637 53.050 -0.046 0.000 0.826 109 N CB 1.036 39.499 38.487 -0.039 0.000 1.239 109 N HN -0.159 nan 8.380 nan 0.000 0.495 110 P HA 0.141 nan 4.420 nan 0.000 0.267 110 P C 0.341 177.630 177.300 -0.018 0.000 1.200 110 P CA 0.178 63.268 63.100 -0.017 0.000 0.772 110 P CB 0.362 32.048 31.700 -0.025 0.000 0.855 111 N N 2.889 121.586 118.700 -0.004 0.000 3.111 111 N HA 0.156 4.849 4.740 -0.078 0.000 0.302 111 N C 0.186 175.696 175.510 -0.000 0.000 1.317 111 N CA -0.196 52.852 53.050 -0.003 0.000 1.151 111 N CB -0.893 37.596 38.487 0.004 0.000 1.456 111 N HN 0.275 nan 8.380 nan 0.000 0.547 112 L N -0.270 120.947 121.223 -0.010 0.000 2.421 112 L HA 0.491 4.784 4.340 -0.078 0.000 0.263 112 L C -1.776 175.092 176.870 -0.005 0.000 1.122 112 L CA -1.808 53.028 54.840 -0.006 0.000 0.804 112 L CB 1.112 43.156 42.059 -0.026 0.000 1.150 112 L HN 0.254 nan 8.230 nan 0.000 0.457 113 P HA 0.225 nan 4.420 nan 0.000 0.271 113 P C -0.233 177.068 177.300 0.003 0.000 1.216 113 P CA -0.372 62.733 63.100 0.008 0.000 0.776 113 P CB 0.474 32.185 31.700 0.018 0.000 0.881 114 R N 2.233 122.736 120.500 0.004 0.000 2.740 114 R HA 0.054 4.347 4.340 -0.078 0.000 0.263 114 R C -0.089 176.216 176.300 0.007 0.000 0.997 114 R CA 0.286 56.389 56.100 0.005 0.000 1.108 114 R CB -0.829 29.477 30.300 0.009 0.000 0.969 114 R HN 0.659 nan 8.270 nan 0.000 0.431 115 L N 3.303 124.529 121.223 0.006 0.000 2.297 115 L HA 0.379 4.672 4.340 -0.078 0.000 0.277 115 L C -0.128 176.754 176.870 0.020 0.000 1.040 115 L CA -0.664 54.180 54.840 0.007 0.000 0.867 115 L CB 1.402 43.454 42.059 -0.010 0.000 1.244 115 L HN 0.646 nan 8.230 nan 0.000 0.433 116 V N 5.954 125.884 119.914 0.026 0.000 2.785 116 V HA 0.463 4.536 4.120 -0.078 0.000 0.300 116 V C -0.033 176.089 176.094 0.046 0.000 1.062 116 V CA -0.560 61.761 62.300 0.035 0.000 1.029 116 V CB 1.702 33.545 31.823 0.033 0.000 1.024 116 V HN 0.851 nan 8.190 nan 0.000 0.477 117 R N 5.594 126.128 120.500 0.056 0.000 2.338 117 R HA 0.589 4.883 4.340 -0.078 0.000 0.317 117 R C -2.743 173.603 176.300 0.077 0.000 0.968 117 R CA -1.464 54.682 56.100 0.077 0.000 0.849 117 R CB 1.006 31.364 30.300 0.096 0.000 1.128 117 R HN 0.556 nan 8.270 nan 0.000 0.448 118 P HA -0.001 nan 4.420 nan 0.000 0.271 118 P C -0.487 176.865 177.300 0.086 0.000 1.233 118 P CA -0.238 62.910 63.100 0.080 0.000 0.789 118 P CB 0.487 32.241 31.700 0.090 0.000 0.951 119 E N 0.049 120.292 120.200 0.071 0.000 2.436 119 E HA -0.042 4.261 4.350 -0.078 0.000 0.262 119 E C 1.396 178.046 176.600 0.083 0.000 1.063 119 E CA -0.024 56.415 56.400 0.066 0.000 0.944 119 E CB 0.413 30.144 29.700 0.051 0.000 0.950 119 E HN 0.105 nan 8.360 nan 0.000 0.444 120 V N 2.647 122.605 119.914 0.075 0.000 2.317 120 V HA -0.321 3.752 4.120 -0.078 0.000 0.251 120 V C 1.652 177.800 176.094 0.090 0.000 1.065 120 V CA 2.172 64.524 62.300 0.086 0.000 1.049 120 V CB -0.472 31.379 31.823 0.047 0.000 0.651 120 V HN 0.599 nan 8.190 nan 0.000 0.450 121 D N 0.025 120.464 120.400 0.066 0.000 2.123 121 D HA -0.135 4.458 4.640 -0.078 0.000 0.196 121 D C 2.183 178.520 176.300 0.061 0.000 0.992 121 D CA 1.581 55.616 54.000 0.058 0.000 0.833 121 D CB -0.270 40.558 40.800 0.047 0.000 0.954 121 D HN 0.412 nan 8.370 nan 0.000 0.455 122 V N 1.466 121.422 119.914 0.071 0.000 2.270 122 V HA -0.266 3.808 4.120 -0.078 0.000 0.245 122 V C 2.627 178.771 176.094 0.084 0.000 1.043 122 V CA 1.445 63.789 62.300 0.073 0.000 1.014 122 V CB -0.536 31.337 31.823 0.082 0.000 0.645 122 V HN 0.163 nan 8.190 nan 0.000 0.447 123 M N -0.517 119.164 119.600 0.135 0.000 2.073 123 M HA -0.267 4.166 4.480 -0.078 0.000 0.258 123 M C 2.422 178.681 176.300 -0.068 0.000 1.070 123 M CA 2.220 57.630 55.300 0.185 0.000 1.103 123 M CB -1.062 31.756 32.600 0.363 0.000 1.321 123 M HN 0.388 nan 8.290 nan 0.000 0.405 124 c N 0.075 118.673 118.600 -0.004 0.000 2.422 124 c HA -0.112 4.411 4.570 -0.078 0.000 0.279 124 c C 2.924 176.937 174.090 -0.128 0.000 1.305 124 c CA 1.396 57.665 56.329 -0.100 0.000 1.757 124 c CB -1.153 41.352 42.510 -0.007 0.000 1.962 124 c HN 0.592 nan 8.230 nan 0.000 0.499 125 T N 0.974 115.505 114.554 -0.038 0.000 2.770 125 T HA -0.043 4.260 4.350 -0.078 0.000 0.263 125 T C 2.191 176.844 174.700 -0.078 0.000 1.039 125 T CA 1.470 63.567 62.100 -0.005 0.000 1.142 125 T CB -0.418 68.463 68.868 0.020 0.000 0.868 125 T HN 0.600 nan 8.240 nan 0.000 0.435 126 A N 1.081 123.841 122.820 -0.099 0.000 1.940 126 A HA -0.050 4.223 4.320 -0.078 0.000 0.219 126 A C 1.994 179.347 177.584 -0.386 0.000 1.176 126 A CA 1.389 53.365 52.037 -0.103 0.000 0.631 126 A CB -0.869 18.187 19.000 0.092 0.000 0.814 126 A HN 0.487 nan 8.150 nan 0.000 0.446 127 F N 0.055 119.374 119.950 -1.052 0.000 2.074 127 F HA -0.107 4.374 4.527 -0.077 0.000 0.293 127 F C 2.382 177.833 175.800 -0.582 0.000 1.116 127 F CA 1.996 59.107 58.000 -1.481 0.000 1.212 127 F CB -0.586 37.304 39.000 -1.850 0.000 0.998 127 F HN 0.323 nan 8.300 nan 0.000 0.471 128 H N 0.106 118.828 119.070 -0.580 0.000 2.352 128 H HA -0.149 4.361 4.556 -0.077 0.000 0.299 128 H C 1.873 176.983 175.328 -0.364 0.000 1.097 128 H CA 1.761 57.522 56.048 -0.477 0.000 1.311 128 H CB -0.861 28.781 29.762 -0.201 0.000 1.377 128 H HN 0.405 nan 8.280 nan 0.000 0.504 129 D N 0.321 120.645 120.400 -0.127 0.000 2.119 129 D HA -0.139 4.454 4.640 -0.078 0.000 0.199 129 D C 0.743 176.964 176.300 -0.133 0.000 0.987 129 D CA 0.955 54.893 54.000 -0.102 0.000 0.858 129 D CB -0.142 40.621 40.800 -0.062 0.000 1.008 129 D HN 0.097 nan 8.370 nan 0.000 0.450 130 N N -0.183 118.442 118.700 -0.124 0.000 2.408 130 N HA 0.077 4.770 4.740 -0.078 0.000 0.280 130 N C -0.009 175.414 175.510 -0.145 0.000 1.002 130 N CA -0.102 52.894 53.050 -0.089 0.000 0.907 130 N CB 1.680 40.167 38.487 0.000 0.000 1.161 130 N HN 0.321 nan 8.380 nan 0.000 0.488 131 E N 2.653 122.748 120.200 -0.174 0.000 2.065 131 E HA -0.053 4.250 4.350 -0.078 0.000 0.191 131 E C 1.033 177.672 176.600 0.065 0.000 0.960 131 E CA 0.286 56.566 56.400 -0.199 0.000 0.824 131 E CB 0.038 29.556 29.700 -0.304 0.000 0.793 131 E HN 0.740 nan 8.360 nan 0.000 0.459 132 E N -0.090 120.144 120.200 0.056 0.000 2.049 132 E HA -0.228 4.075 4.350 -0.078 0.000 0.198 132 E C 1.851 178.550 176.600 0.165 0.000 1.007 132 E CA 2.112 58.579 56.400 0.111 0.000 0.809 132 E CB -0.026 29.723 29.700 0.080 0.000 0.749 132 E HN 0.231 nan 8.360 nan 0.000 0.450 133 T N 0.680 115.334 114.554 0.166 0.000 2.652 133 T HA -0.198 4.105 4.350 -0.078 0.000 0.267 133 T C 1.444 176.267 174.700 0.204 0.000 1.039 133 T CA 1.424 63.655 62.100 0.218 0.000 1.153 133 T CB -0.644 68.348 68.868 0.207 0.000 0.863 133 T HN 0.220 nan 8.240 nan 0.000 0.428 134 F N 1.750 121.726 119.950 0.042 0.000 2.045 134 F HA -0.182 4.300 4.527 -0.075 0.000 0.297 134 F C 2.079 177.937 175.800 0.098 0.000 1.114 134 F CA 1.397 59.422 58.000 0.042 0.000 1.207 134 F CB -0.604 38.438 39.000 0.071 0.000 0.964 134 F HN 0.071 nan 8.300 nan 0.000 0.486 135 L N -0.504 120.912 121.223 0.322 0.000 2.141 135 L HA -0.216 4.077 4.340 -0.078 0.000 0.209 135 L C 2.329 179.301 176.870 0.170 0.000 1.094 135 L CA 1.356 56.349 54.840 0.255 0.000 0.763 135 L CB -0.660 41.565 42.059 0.277 0.000 0.908 135 L HN 0.153 nan 8.230 nan 0.000 0.437 136 K N 0.458 120.940 120.400 0.136 0.000 2.155 136 K HA -0.131 4.142 4.320 -0.078 0.000 0.203 136 K C 2.569 179.148 176.600 -0.035 0.000 1.052 136 K CA 1.347 57.711 56.287 0.128 0.000 0.948 136 K CB -0.132 32.527 32.500 0.265 0.000 0.728 136 K HN 0.264 nan 8.250 nan 0.000 0.448 137 K N 0.986 121.232 120.400 -0.257 0.000 2.057 137 K HA -0.202 4.071 4.320 -0.078 0.000 0.207 137 K C 1.844 178.322 176.600 -0.204 0.000 1.049 137 K CA 1.662 57.647 56.287 -0.503 0.000 0.931 137 K CB -1.273 30.929 32.500 -0.496 0.000 0.714 137 K HN 0.244 nan 8.250 nan 0.000 0.440 138 Y N 1.625 121.751 120.300 -0.289 0.000 2.030 138 Y HA -0.228 4.276 4.550 -0.077 0.000 0.274 138 Y C 2.145 177.872 175.900 -0.290 0.000 1.153 138 Y CA 2.232 60.119 58.100 -0.355 0.000 1.115 138 Y CB -0.454 37.745 38.460 -0.435 0.000 0.969 138 Y HN 0.138 nan 8.280 nan 0.000 0.488 139 L N -1.016 120.076 121.223 -0.218 0.000 2.013 139 L HA -0.292 4.001 4.340 -0.078 0.000 0.212 139 L C 2.454 179.163 176.870 -0.267 0.000 1.073 139 L CA 2.047 56.704 54.840 -0.305 0.000 0.753 139 L CB -1.370 40.638 42.059 -0.084 0.000 0.890 139 L HN 0.386 nan 8.230 nan 0.000 0.432 140 Y N 1.273 121.427 120.300 -0.245 0.000 2.114 140 Y HA -0.289 4.218 4.550 -0.072 0.000 0.282 140 Y C 2.617 178.391 175.900 -0.210 0.000 1.165 140 Y CA 1.851 59.841 58.100 -0.184 0.000 1.148 140 Y CB -0.201 38.196 38.460 -0.106 0.000 0.972 140 Y HN 0.149 nan 8.280 nan 0.000 0.504 141 E N 0.391 120.317 120.200 -0.457 0.000 2.006 141 E HA -0.172 4.131 4.350 -0.078 0.000 0.192 141 E C 2.355 178.693 176.600 -0.436 0.000 0.993 141 E CA 1.479 57.577 56.400 -0.504 0.000 0.808 141 E CB -0.599 28.906 29.700 -0.326 0.000 0.764 141 E HN 0.449 nan 8.360 nan 0.000 0.449 142 I N 1.493 121.744 120.570 -0.531 0.000 2.118 142 I HA -0.251 3.873 4.170 -0.078 0.000 0.241 142 I C 2.448 178.370 176.117 -0.326 0.000 1.070 142 I CA 1.440 62.439 61.300 -0.502 0.000 1.327 142 I CB -1.762 35.711 38.000 -0.879 0.000 1.034 142 I HN -0.022 nan 8.210 nan 0.000 0.405 143 A N 1.488 124.077 122.820 -0.385 0.000 2.024 143 A HA -0.210 4.063 4.320 -0.078 0.000 0.220 143 A C 2.384 179.862 177.584 -0.176 0.000 1.164 143 A CA 1.750 53.638 52.037 -0.248 0.000 0.643 143 A CB -0.630 18.222 19.000 -0.247 0.000 0.806 143 A HN 0.618 nan 8.150 nan 0.000 0.451 144 R N -1.122 119.226 120.500 -0.254 0.000 2.200 144 R HA 0.100 4.393 4.340 -0.078 0.000 0.208 144 R C 1.811 178.035 176.300 -0.127 0.000 1.033 144 R CA 0.867 56.837 56.100 -0.218 0.000 1.000 144 R CB -0.227 29.838 30.300 -0.391 0.000 0.906 144 R HN 0.397 nan 8.270 nan 0.000 0.462 145 R N 0.076 120.525 120.500 -0.086 0.000 2.223 145 R HA 0.126 4.419 4.340 -0.078 0.000 0.198 145 R C 0.193 176.439 176.300 -0.091 0.000 0.984 145 R CA 0.526 56.594 56.100 -0.053 0.000 1.018 145 R CB 0.291 30.599 30.300 0.014 0.000 0.945 145 R HN 0.401 nan 8.270 nan 0.000 0.479 146 H N 1.162 120.218 119.070 -0.023 0.000 2.336 146 H HA 0.163 4.654 4.556 -0.109 0.000 0.230 146 H C -1.856 173.512 175.328 0.065 0.000 1.426 146 H CA -1.727 54.368 56.048 0.079 0.000 1.359 146 H CB 1.267 31.154 29.762 0.209 0.000 1.555 146 H HN 0.021 nan 8.280 nan 0.000 0.512 147 P HA -0.207 nan 4.420 nan 0.000 0.225 147 P C 0.242 177.318 177.300 -0.374 0.000 1.141 147 P CA 1.386 64.380 63.100 -0.176 0.000 0.774 147 P CB 0.031 31.593 31.700 -0.230 0.000 0.760 148 Y N -3.289 117.061 120.300 0.084 0.000 2.500 148 Y HA 0.285 4.792 4.550 -0.073 0.000 0.246 148 Y C 1.017 177.005 175.900 0.146 0.000 1.146 148 Y CA -0.976 57.169 58.100 0.075 0.000 1.230 148 Y CB -0.306 38.172 38.460 0.029 0.000 1.214 148 Y HN -0.252 nan 8.280 nan 0.000 0.526 149 F N 1.640 121.681 119.950 0.151 0.000 2.580 149 F HA -0.156 4.380 4.527 0.015 0.000 0.398 149 F C 0.472 176.376 175.800 0.173 0.000 1.023 149 F CA -0.596 57.481 58.000 0.128 0.000 1.188 149 F CB -0.109 38.896 39.000 0.008 0.000 1.005 149 F HN 0.095 nan 8.300 nan 0.000 0.546 150 Y N 7.541 128.036 120.300 0.326 0.000 2.735 150 Y HA 0.132 4.642 4.550 -0.067 0.000 0.367 150 Y C 1.219 177.328 175.900 0.348 0.000 1.333 150 Y CA -0.376 57.894 58.100 0.284 0.000 1.861 150 Y CB -0.421 38.184 38.460 0.242 0.000 1.457 150 Y HN 0.750 nan 8.280 nan 0.000 0.457 151 A N 6.971 129.895 122.820 0.173 0.000 1.893 151 A HA -0.281 3.993 4.320 -0.078 0.000 0.222 151 A C -0.125 177.420 177.584 -0.065 0.000 1.309 151 A CA 2.266 54.310 52.037 0.013 0.000 0.681 151 A CB -1.899 17.068 19.000 -0.054 0.000 0.842 151 A HN 0.633 nan 8.150 nan 0.000 0.468 152 P HA -0.180 nan 4.420 nan 0.000 0.216 152 P C 1.374 178.628 177.300 -0.077 0.000 1.154 152 P CA 1.805 64.775 63.100 -0.217 0.000 0.865 152 P CB -0.022 31.424 31.700 -0.424 0.000 0.789 153 E N -0.930 119.224 120.200 -0.078 0.000 2.152 153 E HA -0.134 4.169 4.350 -0.078 0.000 0.192 153 E C 1.725 178.656 176.600 0.552 0.000 0.983 153 E CA 0.531 57.110 56.400 0.298 0.000 0.818 153 E CB -1.108 28.922 29.700 0.551 0.000 0.758 153 E HN -0.002 nan 8.360 nan 0.000 0.467 154 L N 0.175 121.628 121.223 0.384 0.000 2.131 154 L HA -0.077 4.217 4.340 -0.078 0.000 0.210 154 L C 1.878 178.864 176.870 0.193 0.000 1.092 154 L CA 1.496 56.422 54.840 0.144 0.000 0.759 154 L CB -0.402 41.481 42.059 -0.293 0.000 0.903 154 L HN 0.245 nan 8.230 nan 0.000 0.435 155 L N -1.968 119.344 121.223 0.147 0.000 2.083 155 L HA -0.225 4.068 4.340 -0.078 0.000 0.209 155 L C 2.434 179.393 176.870 0.147 0.000 1.083 155 L CA 1.255 56.169 54.840 0.122 0.000 0.752 155 L CB -0.701 41.406 42.059 0.080 0.000 0.899 155 L HN 0.302 nan 8.230 nan 0.000 0.433 156 F N 0.676 120.647 119.950 0.036 0.000 2.102 156 F HA -0.232 4.246 4.527 -0.082 0.000 0.298 156 F C 2.135 177.882 175.800 -0.088 0.000 1.105 156 F CA 1.467 59.417 58.000 -0.083 0.000 1.239 156 F CB -0.450 38.419 39.000 -0.218 0.000 0.991 156 F HN -0.128 nan 8.300 nan 0.000 0.474 157 F N 0.344 120.298 119.950 0.006 0.000 2.269 157 F HA -0.107 4.372 4.527 -0.080 0.000 0.301 157 F C 2.513 178.279 175.800 -0.056 0.000 1.082 157 F CA 1.007 58.980 58.000 -0.046 0.000 1.360 157 F CB -1.069 38.018 39.000 0.144 0.000 1.041 157 F HN 0.103 nan 8.300 nan 0.000 0.512 158 A N 0.603 123.540 122.820 0.195 0.000 1.873 158 A HA -0.150 4.123 4.320 -0.078 0.000 0.215 158 A C 2.361 179.962 177.584 0.029 0.000 1.186 158 A CA 2.249 54.359 52.037 0.121 0.000 0.616 158 A CB -1.214 17.895 19.000 0.181 0.000 0.823 158 A HN 0.279 nan 8.150 nan 0.000 0.442 159 K N 0.053 120.428 120.400 -0.042 0.000 2.103 159 K HA -0.117 4.156 4.320 -0.078 0.000 0.207 159 K C 2.194 178.706 176.600 -0.147 0.000 1.048 159 K CA 1.806 58.043 56.287 -0.083 0.000 0.930 159 K CB -0.631 31.794 32.500 -0.125 0.000 0.716 159 K HN 0.586 nan 8.250 nan 0.000 0.444 160 R N -1.882 118.458 120.500 -0.267 0.000 2.090 160 R HA -0.024 4.269 4.340 -0.078 0.000 0.228 160 R C 2.274 178.509 176.300 -0.108 0.000 1.110 160 R CA 1.260 57.202 56.100 -0.263 0.000 0.973 160 R CB -0.324 29.727 30.300 -0.415 0.000 0.869 160 R HN 0.648 nan 8.270 nan 0.000 0.440 161 Y N 1.599 121.765 120.300 -0.222 0.000 2.163 161 Y HA -0.234 4.272 4.550 -0.073 0.000 0.288 161 Y C 2.244 178.080 175.900 -0.108 0.000 1.136 161 Y CA 1.927 59.877 58.100 -0.249 0.000 1.147 161 Y CB -0.165 37.932 38.460 -0.604 0.000 0.987 161 Y HN -0.082 nan 8.280 nan 0.000 0.509 162 K N 0.224 120.600 120.400 -0.041 0.000 2.009 162 K HA -0.205 4.068 4.320 -0.078 0.000 0.210 162 K C 2.227 178.769 176.600 -0.096 0.000 1.049 162 K CA 1.571 57.842 56.287 -0.028 0.000 0.929 162 K CB -0.547 32.031 32.500 0.129 0.000 0.714 162 K HN 0.326 nan 8.250 nan 0.000 0.440 163 A N 1.058 123.831 122.820 -0.079 0.000 1.978 163 A HA -0.136 4.137 4.320 -0.078 0.000 0.220 163 A C 2.336 179.823 177.584 -0.162 0.000 1.170 163 A CA 1.955 53.939 52.037 -0.088 0.000 0.636 163 A CB -0.832 18.115 19.000 -0.088 0.000 0.810 163 A HN 0.569 nan 8.150 nan 0.000 0.448 164 A N -0.915 121.752 122.820 -0.254 0.000 1.858 164 A HA -0.003 4.270 4.320 -0.078 0.000 0.216 164 A C 1.969 179.242 177.584 -0.517 0.000 1.190 164 A CA 1.642 53.444 52.037 -0.392 0.000 0.617 164 A CB -0.733 17.956 19.000 -0.519 0.000 0.827 164 A HN 0.473 nan 8.150 nan 0.000 0.443 165 F N 0.156 119.759 119.950 -0.579 0.000 2.098 165 F HA -0.080 4.399 4.527 -0.080 0.000 0.294 165 F C 2.783 178.289 175.800 -0.490 0.000 1.107 165 F CA 1.744 59.298 58.000 -0.743 0.000 1.234 165 F CB -1.138 36.947 39.000 -1.524 0.000 1.002 165 F HN 0.099 nan 8.300 nan 0.000 0.472 166 T N -0.501 113.959 114.554 -0.158 0.000 2.755 166 T HA -0.325 3.978 4.350 -0.078 0.000 0.266 166 T C 1.778 176.526 174.700 0.079 0.000 1.041 166 T CA 2.099 64.290 62.100 0.153 0.000 1.147 166 T CB -0.344 68.619 68.868 0.158 0.000 0.847 166 T HN 0.476 nan 8.240 nan 0.000 0.478 167 E N -1.009 119.175 120.200 -0.028 0.000 2.110 167 E HA -0.020 4.283 4.350 -0.078 0.000 0.193 167 E C 2.325 178.895 176.600 -0.049 0.000 0.950 167 E CA 0.489 56.873 56.400 -0.028 0.000 0.840 167 E CB -0.286 29.382 29.700 -0.054 0.000 0.809 167 E HN 0.408 nan 8.360 nan 0.000 0.465 168 c N 0.876 119.403 118.600 -0.122 0.000 2.413 168 c HA -0.117 4.406 4.570 -0.078 0.000 0.277 168 c C 2.702 176.756 174.090 -0.061 0.000 1.265 168 c CA 0.692 56.947 56.329 -0.124 0.000 1.752 168 c CB -0.953 41.417 42.510 -0.234 0.000 1.998 168 c HN 0.664 nan 8.230 nan 0.000 0.489 169 c N -0.260 118.318 118.600 -0.037 0.000 2.449 169 c HA -0.001 4.523 4.570 -0.078 0.000 0.283 169 c C 2.785 176.940 174.090 0.108 0.000 1.453 169 c CA 1.476 57.823 56.329 0.031 0.000 1.779 169 c CB -1.916 40.578 42.510 -0.027 0.000 1.779 169 c HN 0.817 nan 8.230 nan 0.000 0.546 170 Q N -0.427 119.428 119.800 0.092 0.000 2.198 170 Q HA 0.683 4.977 4.340 -0.078 0.000 0.209 170 Q C 0.686 176.710 176.000 0.040 0.000 0.848 170 Q CA 0.728 56.583 55.803 0.087 0.000 0.974 170 Q CB -0.163 28.629 28.738 0.089 0.000 1.115 170 Q HN 0.721 nan 8.270 nan 0.000 0.494 171 A N -0.317 122.516 122.820 0.022 0.000 2.257 171 A HA 0.886 5.159 4.320 -0.078 0.000 0.290 171 A C 1.529 179.118 177.584 0.008 0.000 1.201 171 A CA 0.301 52.340 52.037 0.004 0.000 0.863 171 A CB 0.138 19.128 19.000 -0.016 0.000 1.256 171 A HN 0.873 nan 8.150 nan 0.000 0.506 172 A N -0.921 121.900 122.820 0.002 0.000 1.878 172 A HA 0.162 4.436 4.320 -0.078 0.000 0.215 172 A C 0.857 178.442 177.584 0.003 0.000 1.310 172 A CA 1.269 53.308 52.037 0.004 0.000 0.612 172 A CB -0.444 18.557 19.000 0.001 0.000 0.989 172 A HN 0.675 nan 8.150 nan 0.000 0.472 173 D N 0.555 120.953 120.400 -0.004 0.000 2.517 173 D HA 0.423 5.017 4.640 -0.078 0.000 0.220 173 D C 1.385 177.676 176.300 -0.015 0.000 1.158 173 D CA 0.638 54.635 54.000 -0.006 0.000 0.992 173 D CB 0.847 41.643 40.800 -0.007 0.000 1.058 173 D HN 0.309 nan 8.370 nan 0.000 0.516 174 K N 2.528 122.921 120.400 -0.011 0.000 2.015 174 K HA -0.234 4.039 4.320 -0.078 0.000 0.216 174 K C 2.066 178.640 176.600 -0.043 0.000 1.052 174 K CA 1.989 58.260 56.287 -0.027 0.000 0.937 174 K CB -1.167 31.328 32.500 -0.008 0.000 0.719 174 K HN 0.498 nan 8.250 nan 0.000 0.446 175 A N 1.002 123.808 122.820 -0.023 0.000 1.896 175 A HA -0.003 4.270 4.320 -0.078 0.000 0.220 175 A C 2.816 180.378 177.584 -0.037 0.000 1.206 175 A CA 3.309 55.331 52.037 -0.024 0.000 0.647 175 A CB -1.198 17.797 19.000 -0.007 0.000 0.828 175 A HN 1.293 nan 8.150 nan 0.000 0.455 176 A N -1.583 121.218 122.820 -0.030 0.000 1.933 176 A HA -0.189 4.084 4.320 -0.078 0.000 0.218 176 A C 2.467 180.023 177.584 -0.047 0.000 1.175 176 A CA 1.897 53.916 52.037 -0.031 0.000 0.628 176 A CB -1.332 17.654 19.000 -0.022 0.000 0.814 176 A HN 1.026 nan 8.150 nan 0.000 0.444 177 c N -1.477 117.087 118.600 -0.060 0.000 2.475 177 c HA 0.272 4.795 4.570 -0.078 0.000 0.279 177 c C 2.846 176.860 174.090 -0.126 0.000 1.322 177 c CA 1.322 57.602 56.329 -0.082 0.000 1.734 177 c CB -1.317 41.145 42.510 -0.080 0.000 2.005 177 c HN 0.646 nan 8.230 nan 0.000 0.495 178 L N 0.751 121.879 121.223 -0.158 0.000 2.004 178 L HA 0.196 4.489 4.340 -0.078 0.000 0.205 178 L C 2.572 179.341 176.870 -0.169 0.000 1.089 178 L CA 2.005 56.699 54.840 -0.244 0.000 0.756 178 L CB -1.805 40.063 42.059 -0.319 0.000 0.900 178 L HN 0.448 nan 8.230 nan 0.000 0.440 179 L N -0.428 120.729 121.223 -0.110 0.000 2.244 179 L HA -0.313 3.980 4.340 -0.078 0.000 0.239 179 L C 0.875 177.715 176.870 -0.050 0.000 1.131 179 L CA 3.457 58.261 54.840 -0.060 0.000 0.854 179 L CB -2.266 39.773 42.059 -0.034 0.000 0.951 179 L HN 0.347 nan 8.230 nan 0.000 0.449 180 P HA -0.166 nan 4.420 nan 0.000 0.213 180 P C 1.527 178.807 177.300 -0.034 0.000 1.170 180 P CA 1.495 64.576 63.100 -0.032 0.000 0.898 180 P CB -0.104 31.577 31.700 -0.032 0.000 0.787 181 K N -0.999 119.362 120.400 -0.065 0.000 2.160 181 K HA -0.164 4.109 4.320 -0.078 0.000 0.206 181 K C 1.991 178.560 176.600 -0.051 0.000 1.047 181 K CA 1.082 57.328 56.287 -0.069 0.000 0.930 181 K CB -0.886 31.536 32.500 -0.131 0.000 0.720 181 K HN 0.075 nan 8.250 nan 0.000 0.450 182 L N 1.679 122.859 121.223 -0.071 0.000 2.072 182 L HA -0.131 4.163 4.340 -0.078 0.000 0.205 182 L C 1.357 178.247 176.870 0.033 0.000 1.079 182 L CA 1.846 56.673 54.840 -0.021 0.000 0.752 182 L CB -0.324 41.709 42.059 -0.044 0.000 0.906 182 L HN 0.052 nan 8.230 nan 0.000 0.436 183 D N -0.737 119.675 120.400 0.020 0.000 2.144 183 D HA -0.209 4.384 4.640 -0.078 0.000 0.200 183 D C 2.063 178.394 176.300 0.052 0.000 0.978 183 D CA 1.098 55.120 54.000 0.035 0.000 0.833 183 D CB 0.010 40.825 40.800 0.024 0.000 0.961 183 D HN 0.449 nan 8.370 nan 0.000 0.470 184 E N -0.051 120.178 120.200 0.049 0.000 2.153 184 E HA -0.114 4.189 4.350 -0.078 0.000 0.194 184 E C 1.928 178.598 176.600 0.117 0.000 0.988 184 E CA 0.480 56.923 56.400 0.071 0.000 0.811 184 E CB 0.029 29.762 29.700 0.055 0.000 0.746 184 E HN 0.266 nan 8.360 nan 0.000 0.466 185 L N 0.286 121.583 121.223 0.123 0.000 2.209 185 L HA -0.027 4.266 4.340 -0.078 0.000 0.207 185 L C 2.816 179.768 176.870 0.136 0.000 1.094 185 L CA 0.458 55.412 54.840 0.190 0.000 0.790 185 L CB -0.301 41.879 42.059 0.200 0.000 0.932 185 L HN 0.102 nan 8.230 nan 0.000 0.447 186 R N 0.443 120.998 120.500 0.091 0.000 2.075 186 R HA -0.157 4.137 4.340 -0.078 0.000 0.232 186 R C 1.468 177.801 176.300 0.054 0.000 1.126 186 R CA 1.718 57.850 56.100 0.054 0.000 0.963 186 R CB -0.230 30.102 30.300 0.053 0.000 0.858 186 R HN 0.315 nan 8.270 nan 0.000 0.435 187 D N 0.863 121.308 120.400 0.075 0.000 2.096 187 D HA -0.218 4.375 4.640 -0.078 0.000 0.200 187 D C 1.686 178.047 176.300 0.101 0.000 0.980 187 D CA 1.484 55.530 54.000 0.078 0.000 0.860 187 D CB -0.586 40.258 40.800 0.074 0.000 1.005 187 D HN 0.366 nan 8.370 nan 0.000 0.449 188 E N 0.287 120.582 120.200 0.158 0.000 2.236 188 E HA -0.215 4.088 4.350 -0.078 0.000 0.205 188 E C 1.968 178.729 176.600 0.269 0.000 1.028 188 E CA 1.683 58.239 56.400 0.260 0.000 0.827 188 E CB -0.305 29.617 29.700 0.370 0.000 0.735 188 E HN 0.307 nan 8.360 nan 0.000 0.470 189 G N -0.383 108.461 108.800 0.073 0.000 2.408 189 G HA2 -0.204 3.709 3.960 -0.078 0.000 0.215 189 G HA3 -0.204 3.709 3.960 -0.078 0.000 0.215 189 G C 1.741 176.541 174.900 -0.167 0.000 1.156 189 G CA 0.520 45.438 45.100 -0.304 0.000 0.793 189 G HN 0.075 nan 8.290 nan 0.000 0.535 190 K N 0.635 121.006 120.400 -0.048 0.000 2.057 190 K HA 0.175 4.448 4.320 -0.078 0.000 0.206 190 K C 3.086 179.689 176.600 0.005 0.000 1.050 190 K CA 1.203 57.490 56.287 0.001 0.000 0.935 190 K CB -0.688 31.846 32.500 0.058 0.000 0.715 190 K HN 0.446 nan 8.250 nan 0.000 0.439 191 A N 0.280 123.124 122.820 0.041 0.000 1.877 191 A HA -0.169 4.105 4.320 -0.078 0.000 0.216 191 A C 2.328 179.928 177.584 0.027 0.000 1.186 191 A CA 2.230 54.307 52.037 0.068 0.000 0.620 191 A CB -1.142 17.917 19.000 0.099 0.000 0.822 191 A HN 0.440 nan 8.150 nan 0.000 0.443 192 S N -0.455 115.261 115.700 0.027 0.000 2.365 192 S HA -0.213 4.210 4.470 -0.078 0.000 0.225 192 S C 2.359 176.808 174.600 -0.252 0.000 1.039 192 S CA 2.275 60.468 58.200 -0.012 0.000 1.033 192 S CB -0.538 62.745 63.200 0.139 0.000 0.887 192 S HN 0.679 nan 8.310 nan 0.000 0.447 193 S N 0.461 115.887 115.700 -0.456 0.000 2.382 193 S HA -0.031 4.392 4.470 -0.078 0.000 0.228 193 S C 2.027 176.538 174.600 -0.148 0.000 1.027 193 S CA 1.495 59.433 58.200 -0.437 0.000 0.991 193 S CB -0.787 62.258 63.200 -0.258 0.000 0.823 193 S HN 0.705 nan 8.310 nan 0.000 0.469 194 A N 1.328 124.101 122.820 -0.077 0.000 1.845 194 A HA -0.062 4.211 4.320 -0.078 0.000 0.215 194 A C 2.131 179.667 177.584 -0.079 0.000 1.195 194 A CA 1.782 53.788 52.037 -0.051 0.000 0.616 194 A CB -0.901 18.094 19.000 -0.008 0.000 0.832 194 A HN 0.593 nan 8.150 nan 0.000 0.443 195 K N -1.217 119.147 120.400 -0.059 0.000 2.077 195 K HA -0.316 3.957 4.320 -0.078 0.000 0.213 195 K C 2.376 178.886 176.600 -0.148 0.000 1.051 195 K CA 2.243 58.485 56.287 -0.076 0.000 0.929 195 K CB -0.123 32.363 32.500 -0.023 0.000 0.715 195 K HN 0.514 nan 8.250 nan 0.000 0.451 196 Q N 0.328 120.046 119.800 -0.138 0.000 2.187 196 Q HA -0.111 4.182 4.340 -0.078 0.000 0.199 196 Q C 1.827 177.756 176.000 -0.119 0.000 0.957 196 Q CA 1.331 57.048 55.803 -0.143 0.000 0.857 196 Q CB -0.048 28.647 28.738 -0.071 0.000 0.929 196 Q HN 0.090 nan 8.270 nan 0.000 0.453 197 R N -0.201 120.233 120.500 -0.111 0.000 2.096 197 R HA -0.083 4.210 4.340 -0.078 0.000 0.235 197 R C 1.866 178.050 176.300 -0.194 0.000 1.127 197 R CA 1.191 57.197 56.100 -0.157 0.000 0.968 197 R CB -0.826 29.382 30.300 -0.152 0.000 0.861 197 R HN 0.415 nan 8.270 nan 0.000 0.440 198 L N 0.666 121.781 121.223 -0.179 0.000 2.027 198 L HA -0.044 4.249 4.340 -0.078 0.000 0.206 198 L C 1.806 178.541 176.870 -0.225 0.000 1.074 198 L CA 1.929 56.653 54.840 -0.193 0.000 0.745 198 L CB -0.735 41.196 42.059 -0.214 0.000 0.898 198 L HN 0.090 nan 8.230 nan 0.000 0.433 199 K N -0.985 119.249 120.400 -0.276 0.000 2.000 199 K HA -0.232 4.041 4.320 -0.078 0.000 0.218 199 K C 2.155 178.653 176.600 -0.171 0.000 1.053 199 K CA 2.542 58.659 56.287 -0.283 0.000 0.946 199 K CB -0.619 31.656 32.500 -0.375 0.000 0.723 199 K HN 0.525 nan 8.250 nan 0.000 0.446 200 c N 0.001 118.520 118.600 -0.136 0.000 2.413 200 c HA -0.114 4.409 4.570 -0.078 0.000 0.276 200 c C 2.788 176.822 174.090 -0.093 0.000 1.248 200 c CA 0.714 56.995 56.329 -0.080 0.000 1.742 200 c CB -1.140 41.367 42.510 -0.003 0.000 2.017 200 c HN 0.610 nan 8.230 nan 0.000 0.481 201 A N 0.770 123.509 122.820 -0.135 0.000 1.940 201 A HA -0.175 4.098 4.320 -0.078 0.000 0.219 201 A C 2.235 179.831 177.584 0.020 0.000 1.176 201 A CA 2.370 54.349 52.037 -0.097 0.000 0.631 201 A CB -0.767 18.176 19.000 -0.094 0.000 0.814 201 A HN 0.587 nan 8.150 nan 0.000 0.446 202 S N 0.055 115.792 115.700 0.062 0.000 2.351 202 S HA -0.157 4.266 4.470 -0.078 0.000 0.220 202 S C 1.866 176.574 174.600 0.180 0.000 1.035 202 S CA 1.630 59.952 58.200 0.204 0.000 1.031 202 S CB -0.608 62.653 63.200 0.102 0.000 0.928 202 S HN 0.501 nan 8.310 nan 0.000 0.433 203 L N 1.432 122.703 121.223 0.081 0.000 2.012 203 L HA -0.222 4.071 4.340 -0.078 0.000 0.210 203 L C 2.807 179.681 176.870 0.007 0.000 1.073 203 L CA 1.479 56.339 54.840 0.034 0.000 0.748 203 L CB -0.607 41.405 42.059 -0.079 0.000 0.891 203 L HN 0.389 nan 8.230 nan 0.000 0.431 204 Q N -0.743 119.042 119.800 -0.024 0.000 2.187 204 Q HA -0.113 4.180 4.340 -0.078 0.000 0.199 204 Q C 1.963 177.888 176.000 -0.126 0.000 0.957 204 Q CA 0.767 56.541 55.803 -0.049 0.000 0.857 204 Q CB 0.114 28.835 28.738 -0.028 0.000 0.929 204 Q HN 0.356 nan 8.270 nan 0.000 0.453 205 K N -0.425 119.839 120.400 -0.227 0.000 2.244 205 K HA 0.095 4.369 4.320 -0.078 0.000 0.200 205 K C 1.432 177.620 176.600 -0.685 0.000 1.052 205 K CA 0.717 56.694 56.287 -0.517 0.000 0.980 205 K CB 0.322 32.351 32.500 -0.785 0.000 0.838 205 K HN 0.145 nan 8.250 nan 0.000 0.481 206 F N 0.221 120.166 119.950 -0.008 0.000 2.694 206 F HA 0.316 4.789 4.527 -0.090 0.000 0.292 206 F C 1.057 176.872 175.800 0.024 0.000 1.121 206 F CA 0.303 58.306 58.000 0.005 0.000 1.352 206 F CB 0.546 39.546 39.000 0.001 0.000 1.107 206 F HN 0.098 nan 8.300 nan 0.000 0.597 207 G N 0.321 109.216 108.800 0.158 0.000 2.497 207 G HA2 0.163 4.076 3.960 -0.078 0.000 0.686 207 G HA3 0.163 4.076 3.960 -0.078 0.000 0.686 207 G C 0.382 175.381 174.900 0.166 0.000 1.288 207 G CA -0.183 44.993 45.100 0.126 0.000 0.899 207 G HN 0.242 nan 8.290 nan 0.000 0.608 208 E N -0.232 120.049 120.200 0.135 0.000 2.051 208 E HA -0.154 4.150 4.350 -0.078 0.000 0.192 208 E C 2.670 179.400 176.600 0.217 0.000 0.991 208 E CA 2.822 59.330 56.400 0.179 0.000 0.799 208 E CB -0.550 29.221 29.700 0.119 0.000 0.748 208 E HN 1.558 nan 8.360 nan 0.000 0.449 209 R N -0.081 120.513 120.500 0.157 0.000 2.113 209 R HA -0.072 4.222 4.340 -0.078 0.000 0.244 209 R C 2.764 179.151 176.300 0.145 0.000 1.142 209 R CA 2.186 58.370 56.100 0.139 0.000 0.953 209 R CB -1.385 28.981 30.300 0.110 0.000 0.860 209 R HN 0.789 nan 8.270 nan 0.000 0.438 210 A N -0.445 122.469 122.820 0.156 0.000 1.865 210 A HA -0.123 4.151 4.320 -0.078 0.000 0.217 210 A C 2.170 179.847 177.584 0.154 0.000 1.191 210 A CA 1.850 53.968 52.037 0.136 0.000 0.623 210 A CB -0.958 18.142 19.000 0.167 0.000 0.826 210 A HN 0.661 nan 8.150 nan 0.000 0.444 211 F N 0.668 120.678 119.950 0.100 0.000 2.126 211 F HA -0.191 4.279 4.527 -0.096 0.000 0.299 211 F C 2.192 178.108 175.800 0.195 0.000 1.096 211 F CA 2.266 60.333 58.000 0.112 0.000 1.255 211 F CB -0.201 38.837 39.000 0.063 0.000 0.997 211 F HN 0.148 nan 8.300 nan 0.000 0.479 212 K N 0.080 120.580 120.400 0.166 0.000 2.009 212 K HA -0.197 4.076 4.320 -0.078 0.000 0.210 212 K C 2.345 178.949 176.600 0.007 0.000 1.049 212 K CA 1.413 57.757 56.287 0.095 0.000 0.929 212 K CB -0.658 31.936 32.500 0.156 0.000 0.714 212 K HN 0.362 nan 8.250 nan 0.000 0.440 213 A N 0.700 123.544 122.820 0.039 0.000 1.883 213 A HA -0.226 4.047 4.320 -0.078 0.000 0.217 213 A C 1.954 179.510 177.584 -0.046 0.000 1.186 213 A CA 1.669 53.716 52.037 0.017 0.000 0.624 213 A CB -1.099 17.922 19.000 0.034 0.000 0.822 213 A HN 0.648 nan 8.150 nan 0.000 0.444 214 W N 0.619 121.780 121.300 -0.231 0.000 2.335 214 W HA -0.189 4.447 4.660 -0.040 0.000 0.311 214 W C 2.465 178.786 176.519 -0.329 0.000 1.213 214 W CA 2.616 59.789 57.345 -0.287 0.000 1.274 214 W CB -0.273 28.981 29.460 -0.343 0.000 1.148 214 W HN 0.378 nan 8.180 nan 0.000 0.498 215 A N -0.016 122.620 122.820 -0.306 0.000 1.883 215 A HA -0.226 4.047 4.320 -0.078 0.000 0.217 215 A C 2.030 179.415 177.584 -0.332 0.000 1.186 215 A CA 2.675 54.472 52.037 -0.399 0.000 0.624 215 A CB -1.361 17.498 19.000 -0.235 0.000 0.822 215 A HN 0.227 nan 8.150 nan 0.000 0.444 216 V N -0.100 119.710 119.914 -0.174 0.000 2.231 216 V HA -0.313 3.760 4.120 -0.078 0.000 0.248 216 V C 3.091 179.101 176.094 -0.141 0.000 1.054 216 V CA 2.300 64.561 62.300 -0.065 0.000 1.015 216 V CB -1.458 30.395 31.823 0.050 0.000 0.638 216 V HN 0.657 nan 8.190 nan 0.000 0.444 217 A N 0.147 122.829 122.820 -0.230 0.000 1.865 217 A HA -0.312 3.961 4.320 -0.078 0.000 0.217 217 A C 2.301 179.653 177.584 -0.388 0.000 1.191 217 A CA 2.541 54.410 52.037 -0.280 0.000 0.623 217 A CB -0.639 18.181 19.000 -0.300 0.000 0.826 217 A HN 0.483 nan 8.150 nan 0.000 0.444 218 R N -0.018 120.106 120.500 -0.626 0.000 2.083 218 R HA -0.064 4.229 4.340 -0.078 0.000 0.237 218 R C 1.974 177.961 176.300 -0.522 0.000 1.137 218 R CA 1.913 57.599 56.100 -0.689 0.000 0.951 218 R CB -0.773 28.805 30.300 -1.203 0.000 0.851 218 R HN 0.539 nan 8.270 nan 0.000 0.434 219 L N -0.459 120.492 121.223 -0.453 0.000 2.027 219 L HA -0.111 4.182 4.340 -0.078 0.000 0.206 219 L C 2.326 179.002 176.870 -0.324 0.000 1.074 219 L CA 1.624 56.207 54.840 -0.428 0.000 0.745 219 L CB -0.577 41.380 42.059 -0.171 0.000 0.898 219 L HN 0.211 nan 8.230 nan 0.000 0.433 220 S N -0.502 115.119 115.700 -0.132 0.000 2.402 220 S HA -0.265 4.159 4.470 -0.078 0.000 0.233 220 S C 1.924 176.422 174.600 -0.170 0.000 1.030 220 S CA 1.350 59.528 58.200 -0.037 0.000 1.003 220 S CB -0.262 62.940 63.200 0.002 0.000 0.813 220 S HN 0.446 nan 8.310 nan 0.000 0.477 221 Q N 0.261 119.910 119.800 -0.252 0.000 2.083 221 Q HA -0.086 4.207 4.340 -0.078 0.000 0.198 221 Q C 2.858 178.709 176.000 -0.248 0.000 0.969 221 Q CA 1.504 57.159 55.803 -0.248 0.000 0.838 221 Q CB -0.242 28.340 28.738 -0.259 0.000 0.900 221 Q HN 0.673 nan 8.270 nan 0.000 0.436 222 R N 0.250 120.517 120.500 -0.389 0.000 2.153 222 R HA -0.029 4.265 4.340 -0.078 0.000 0.218 222 R C 0.465 176.660 176.300 -0.175 0.000 1.072 222 R CA 1.022 56.850 56.100 -0.453 0.000 0.990 222 R CB -0.375 29.401 30.300 -0.873 0.000 0.889 222 R HN 0.113 nan 8.270 nan 0.000 0.452 223 F N 0.011 119.935 119.950 -0.044 0.000 2.449 223 F HA 0.396 4.879 4.527 -0.074 0.000 0.329 223 F C -2.071 173.723 175.800 -0.010 0.000 1.245 223 F CA -3.696 54.297 58.000 -0.011 0.000 1.193 223 F CB 1.666 40.681 39.000 0.025 0.000 1.425 223 F HN -0.025 nan 8.300 nan 0.000 0.544 224 P HA -0.147 nan 4.420 nan 0.000 0.218 224 P C 1.784 179.113 177.300 0.048 0.000 1.149 224 P CA 1.930 65.025 63.100 -0.008 0.000 0.817 224 P CB 0.302 31.965 31.700 -0.062 0.000 0.785 225 K N -0.215 120.238 120.400 0.088 0.000 2.228 225 K HA 0.297 4.570 4.320 -0.078 0.000 0.202 225 K C 1.379 178.052 176.600 0.123 0.000 1.051 225 K CA 0.975 57.311 56.287 0.081 0.000 0.960 225 K CB -1.320 31.206 32.500 0.043 0.000 0.743 225 K HN 0.314 nan 8.250 nan 0.000 0.458 226 A N 1.312 124.230 122.820 0.165 0.000 2.448 226 A HA 0.353 4.626 4.320 -0.078 0.000 0.239 226 A C -0.142 177.593 177.584 0.250 0.000 1.080 226 A CA -0.165 51.970 52.037 0.164 0.000 0.779 226 A CB 0.068 19.181 19.000 0.189 0.000 1.026 226 A HN 0.599 nan 8.150 nan 0.000 0.499 227 E N 0.016 120.306 120.200 0.151 0.000 2.231 227 E HA 0.285 4.588 4.350 -0.078 0.000 0.277 227 E C 0.225 176.784 176.600 -0.069 0.000 0.999 227 E CA -0.587 55.879 56.400 0.110 0.000 0.827 227 E CB 0.865 30.604 29.700 0.066 0.000 1.101 227 E HN 0.598 nan 8.360 nan 0.000 0.393 228 F N 3.167 122.743 119.950 -0.623 0.000 2.082 228 F HA -0.356 4.124 4.527 -0.080 0.000 0.298 228 F C 1.900 177.520 175.800 -0.299 0.000 1.091 228 F CA 2.395 59.895 58.000 -0.833 0.000 1.230 228 F CB -0.410 38.076 39.000 -0.856 0.000 0.983 228 F HN 0.588 nan 8.300 nan 0.000 0.485 229 A N -0.905 121.706 122.820 -0.348 0.000 2.015 229 A HA -0.168 4.105 4.320 -0.078 0.000 0.219 229 A C 2.057 179.497 177.584 -0.240 0.000 1.163 229 A CA 1.685 53.511 52.037 -0.352 0.000 0.646 229 A CB -0.752 18.166 19.000 -0.137 0.000 0.806 229 A HN 0.503 nan 8.150 nan 0.000 0.448 230 E N -0.042 120.078 120.200 -0.133 0.000 2.033 230 E HA -0.074 4.230 4.350 -0.078 0.000 0.189 230 E C 1.893 178.469 176.600 -0.040 0.000 0.979 230 E CA 1.426 57.803 56.400 -0.038 0.000 0.802 230 E CB -0.478 29.238 29.700 0.027 0.000 0.763 230 E HN 0.202 nan 8.360 nan 0.000 0.449 231 V N 0.584 120.480 119.914 -0.029 0.000 2.219 231 V HA -0.330 3.744 4.120 -0.078 0.000 0.248 231 V C 2.361 178.410 176.094 -0.074 0.000 1.053 231 V CA 2.181 64.503 62.300 0.036 0.000 1.009 231 V CB -1.035 30.868 31.823 0.133 0.000 0.636 231 V HN 0.269 nan 8.190 nan 0.000 0.445 232 S N -0.757 114.779 115.700 -0.274 0.000 2.409 232 S HA -0.336 4.087 4.470 -0.078 0.000 0.237 232 S C 2.141 176.647 174.600 -0.155 0.000 1.060 232 S CA 2.241 60.265 58.200 -0.293 0.000 1.052 232 S CB -0.433 62.416 63.200 -0.584 0.000 0.871 232 S HN 0.554 nan 8.310 nan 0.000 0.465 233 K N 1.074 121.385 120.400 -0.149 0.000 2.001 233 K HA 0.134 4.407 4.320 -0.078 0.000 0.208 233 K C 2.049 178.589 176.600 -0.100 0.000 1.048 233 K CA 0.966 57.174 56.287 -0.131 0.000 0.932 233 K CB -0.934 31.471 32.500 -0.158 0.000 0.715 233 K HN 0.534 nan 8.250 nan 0.000 0.437 234 L N 0.619 121.813 121.223 -0.049 0.000 2.079 234 L HA -0.160 4.134 4.340 -0.078 0.000 0.210 234 L C 2.540 179.452 176.870 0.069 0.000 1.081 234 L CA 1.511 56.366 54.840 0.025 0.000 0.752 234 L CB -0.529 41.608 42.059 0.131 0.000 0.896 234 L HN 0.137 nan 8.230 nan 0.000 0.433 235 V N -0.804 119.145 119.914 0.058 0.000 2.307 235 V HA -0.244 3.829 4.120 -0.078 0.000 0.245 235 V C 2.520 178.689 176.094 0.126 0.000 1.045 235 V CA 2.241 64.602 62.300 0.102 0.000 1.024 235 V CB -0.691 31.171 31.823 0.064 0.000 0.651 235 V HN 0.450 nan 8.190 nan 0.000 0.449 236 T N -0.290 114.299 114.554 0.059 0.000 2.803 236 T HA -0.200 4.103 4.350 -0.078 0.000 0.269 236 T C 1.588 176.328 174.700 0.067 0.000 1.052 236 T CA 1.742 63.877 62.100 0.059 0.000 1.136 236 T CB -0.311 68.561 68.868 0.006 0.000 0.864 236 T HN 0.472 nan 8.240 nan 0.000 0.467 237 D N 0.581 121.007 120.400 0.044 0.000 2.110 237 D HA 0.037 4.630 4.640 -0.078 0.000 0.202 237 D C 2.067 178.433 176.300 0.110 0.000 0.975 237 D CA 0.398 54.423 54.000 0.042 0.000 0.839 237 D CB -0.599 40.191 40.800 -0.018 0.000 0.996 237 D HN 0.137 nan 8.370 nan 0.000 0.464 238 L N 1.183 122.511 121.223 0.175 0.000 1.997 238 L HA -0.228 4.066 4.340 -0.078 0.000 0.216 238 L C 2.241 179.318 176.870 0.345 0.000 1.074 238 L CA 1.921 56.937 54.840 0.294 0.000 0.763 238 L CB -1.129 41.153 42.059 0.372 0.000 0.890 238 L HN 0.008 nan 8.230 nan 0.000 0.434 239 T N -0.412 114.380 114.554 0.397 0.000 2.653 239 T HA -0.323 3.980 4.350 -0.078 0.000 0.268 239 T C 1.901 176.626 174.700 0.041 0.000 1.035 239 T CA 2.023 64.287 62.100 0.274 0.000 1.154 239 T CB -0.306 68.775 68.868 0.354 0.000 0.862 239 T HN 0.384 nan 8.240 nan 0.000 0.441 240 K N 0.603 121.047 120.400 0.074 0.000 2.032 240 K HA -0.112 4.162 4.320 -0.078 0.000 0.209 240 K C 2.248 178.853 176.600 0.009 0.000 1.048 240 K CA 1.247 57.551 56.287 0.028 0.000 0.927 240 K CB -0.401 32.119 32.500 0.033 0.000 0.712 240 K HN 0.166 nan 8.250 nan 0.000 0.441 241 V N 1.572 121.499 119.914 0.022 0.000 2.219 241 V HA -0.311 3.763 4.120 -0.078 0.000 0.248 241 V C 2.432 178.474 176.094 -0.087 0.000 1.053 241 V CA 2.140 64.423 62.300 -0.029 0.000 1.009 241 V CB -0.733 31.064 31.823 -0.043 0.000 0.636 241 V HN 0.475 nan 8.190 nan 0.000 0.445 242 H N -0.326 118.731 119.070 -0.022 0.000 2.387 242 H HA -0.119 4.392 4.556 -0.076 0.000 0.299 242 H C 2.493 177.719 175.328 -0.171 0.000 1.090 242 H CA 1.950 57.912 56.048 -0.144 0.000 1.332 242 H CB -0.538 28.974 29.762 -0.417 0.000 1.386 242 H HN 0.420 nan 8.280 nan 0.000 0.516 243 T N 0.948 115.443 114.554 -0.098 0.000 2.699 243 T HA -0.155 4.148 4.350 -0.078 0.000 0.268 243 T C 1.908 176.607 174.700 -0.002 0.000 1.036 243 T CA 1.517 63.569 62.100 -0.081 0.000 1.147 243 T CB -0.051 68.776 68.868 -0.068 0.000 0.862 243 T HN 0.496 nan 8.240 nan 0.000 0.446 244 E N -0.140 120.065 120.200 0.009 0.000 2.015 244 E HA -0.108 4.195 4.350 -0.078 0.000 0.191 244 E C 2.590 179.226 176.600 0.059 0.000 0.991 244 E CA 1.106 57.531 56.400 0.042 0.000 0.802 244 E CB -0.307 29.401 29.700 0.014 0.000 0.759 244 E HN 0.384 nan 8.360 nan 0.000 0.447 245 c N 0.602 119.232 118.600 0.049 0.000 2.391 245 c HA -0.222 4.301 4.570 -0.078 0.000 0.276 245 c C 2.971 177.111 174.090 0.083 0.000 1.217 245 c CA 0.697 57.071 56.329 0.075 0.000 1.766 245 c CB -0.860 41.763 42.510 0.188 0.000 2.046 245 c HN 0.628 nan 8.230 nan 0.000 0.475 246 c N -1.846 116.823 118.600 0.116 0.000 2.440 246 c HA -0.118 4.406 4.570 -0.078 0.000 0.278 246 c C 2.361 176.532 174.090 0.135 0.000 1.295 246 c CA 1.292 57.707 56.329 0.144 0.000 1.738 246 c CB -1.832 40.762 42.510 0.140 0.000 1.987 246 c HN 0.762 nan 8.230 nan 0.000 0.492 247 H N 0.007 119.096 119.070 0.030 0.000 2.553 247 H HA 0.243 4.750 4.556 -0.081 0.000 0.269 247 H C 1.646 176.997 175.328 0.037 0.000 1.011 247 H CA 0.783 56.854 56.048 0.039 0.000 1.150 247 H CB -0.483 29.303 29.762 0.040 0.000 1.339 247 H HN 0.466 nan 8.280 nan 0.000 0.604 248 G N 0.311 109.072 108.800 -0.065 0.000 2.176 248 G HA2 -0.265 3.648 3.960 -0.078 0.000 0.253 248 G HA3 -0.265 3.648 3.960 -0.078 0.000 0.253 248 G C 0.037 174.841 174.900 -0.159 0.000 0.979 248 G CA 0.259 45.233 45.100 -0.210 0.000 0.641 248 G HN 0.497 nan 8.290 nan 0.000 0.530 249 D N 1.240 121.622 120.400 -0.030 0.000 2.767 249 D HA 0.352 4.945 4.640 -0.078 0.000 0.231 249 D C 1.973 178.201 176.300 -0.120 0.000 1.105 249 D CA -0.186 53.762 54.000 -0.087 0.000 1.024 249 D CB 0.069 40.885 40.800 0.026 0.000 1.123 249 D HN 0.344 nan 8.370 nan 0.000 0.470 250 L N -0.127 120.984 121.223 -0.187 0.000 2.079 250 L HA -0.192 4.101 4.340 -0.078 0.000 0.210 250 L C 2.291 179.085 176.870 -0.126 0.000 1.081 250 L CA 1.073 55.822 54.840 -0.152 0.000 0.752 250 L CB -0.316 41.632 42.059 -0.184 0.000 0.896 250 L HN 0.273 nan 8.230 nan 0.000 0.433 251 L N -0.934 120.205 121.223 -0.141 0.000 1.988 251 L HA -0.179 4.114 4.340 -0.078 0.000 0.207 251 L C 2.568 179.404 176.870 -0.056 0.000 1.071 251 L CA 1.143 55.931 54.840 -0.086 0.000 0.744 251 L CB -0.558 41.469 42.059 -0.052 0.000 0.893 251 L HN 0.149 nan 8.230 nan 0.000 0.433 252 E N -0.516 119.645 120.200 -0.065 0.000 2.160 252 E HA -0.256 4.047 4.350 -0.078 0.000 0.195 252 E C 2.213 178.792 176.600 -0.035 0.000 0.991 252 E CA 1.459 57.828 56.400 -0.051 0.000 0.810 252 E CB -0.622 29.045 29.700 -0.055 0.000 0.742 252 E HN 0.504 nan 8.360 nan 0.000 0.466 253 c N 0.563 119.138 118.600 -0.042 0.000 2.432 253 c HA -0.052 4.471 4.570 -0.078 0.000 0.277 253 c C 2.798 176.859 174.090 -0.048 0.000 1.249 253 c CA 1.238 57.545 56.329 -0.037 0.000 1.725 253 c CB -1.055 41.434 42.510 -0.036 0.000 2.028 253 c HN 0.492 nan 8.230 nan 0.000 0.477 254 A N -0.128 122.655 122.820 -0.062 0.000 1.933 254 A HA -0.169 4.105 4.320 -0.078 0.000 0.218 254 A C 2.020 179.594 177.584 -0.016 0.000 1.175 254 A CA 2.258 54.260 52.037 -0.059 0.000 0.628 254 A CB -0.814 18.152 19.000 -0.057 0.000 0.814 254 A HN 0.747 nan 8.150 nan 0.000 0.444 255 D N 0.187 120.586 120.400 -0.001 0.000 2.083 255 D HA -0.159 4.434 4.640 -0.078 0.000 0.199 255 D C 1.317 177.636 176.300 0.032 0.000 0.980 255 D CA 1.457 55.474 54.000 0.028 0.000 0.851 255 D CB -0.436 40.384 40.800 0.033 0.000 0.997 255 D HN 0.341 nan 8.370 nan 0.000 0.449 256 D N 0.250 120.663 120.400 0.022 0.000 2.170 256 D HA -0.241 4.352 4.640 -0.078 0.000 0.193 256 D C 2.150 178.474 176.300 0.041 0.000 1.004 256 D CA 0.912 54.930 54.000 0.030 0.000 0.860 256 D CB -0.323 40.487 40.800 0.018 0.000 0.931 256 D HN 0.325 nan 8.370 nan 0.000 0.448 257 R N 0.777 121.294 120.500 0.028 0.000 2.105 257 R HA -0.123 4.171 4.340 -0.078 0.000 0.239 257 R C 2.195 178.530 176.300 0.059 0.000 1.135 257 R CA 1.471 57.597 56.100 0.043 0.000 0.967 257 R CB -0.104 30.197 30.300 0.003 0.000 0.861 257 R HN 0.132 nan 8.270 nan 0.000 0.442 258 A N 1.394 124.243 122.820 0.048 0.000 1.855 258 A HA -0.172 4.102 4.320 -0.078 0.000 0.215 258 A C 1.620 179.251 177.584 0.079 0.000 1.191 258 A CA 1.777 53.850 52.037 0.060 0.000 0.613 258 A CB -0.553 18.480 19.000 0.055 0.000 0.829 258 A HN 0.413 nan 8.150 nan 0.000 0.442 259 D N -0.079 120.370 120.400 0.081 0.000 2.116 259 D HA -0.182 4.412 4.640 -0.078 0.000 0.193 259 D C 1.778 178.156 176.300 0.129 0.000 0.998 259 D CA 1.429 55.489 54.000 0.099 0.000 0.836 259 D CB -0.720 40.133 40.800 0.089 0.000 0.951 259 D HN 0.312 nan 8.370 nan 0.000 0.449 260 L N 0.781 122.072 121.223 0.113 0.000 2.129 260 L HA -0.149 4.144 4.340 -0.078 0.000 0.212 260 L C 2.065 179.040 176.870 0.175 0.000 1.087 260 L CA 1.719 56.642 54.840 0.138 0.000 0.757 260 L CB -0.743 41.383 42.059 0.112 0.000 0.896 260 L HN 0.017 nan 8.230 nan 0.000 0.434 261 A N -0.871 122.029 122.820 0.133 0.000 1.930 261 A HA -0.036 4.237 4.320 -0.078 0.000 0.215 261 A C 2.543 180.187 177.584 0.100 0.000 1.176 261 A CA 1.786 53.891 52.037 0.114 0.000 0.632 261 A CB -0.723 18.329 19.000 0.088 0.000 0.819 261 A HN 0.417 nan 8.150 nan 0.000 0.445 262 K N -0.874 119.588 120.400 0.103 0.000 2.002 262 K HA -0.195 4.078 4.320 -0.078 0.000 0.209 262 K C 2.038 178.681 176.600 0.071 0.000 1.048 262 K CA 1.741 58.074 56.287 0.076 0.000 0.930 262 K CB -1.425 31.125 32.500 0.083 0.000 0.714 262 K HN 0.670 nan 8.250 nan 0.000 0.438 263 Y N 0.876 121.190 120.300 0.024 0.000 2.128 263 Y HA -0.146 4.357 4.550 -0.078 0.000 0.284 263 Y C 2.171 178.071 175.900 0.000 0.000 1.154 263 Y CA 1.996 60.105 58.100 0.015 0.000 1.149 263 Y CB -0.069 38.404 38.460 0.022 0.000 0.976 263 Y HN 0.211 nan 8.280 nan 0.000 0.505 264 I N -1.201 119.478 120.570 0.182 0.000 2.361 264 I HA -0.358 3.765 4.170 -0.078 0.000 0.251 264 I C 2.314 178.383 176.117 -0.079 0.000 1.133 264 I CA 1.077 62.419 61.300 0.069 0.000 1.413 264 I CB -0.642 37.426 38.000 0.114 0.000 1.073 264 I HN 0.372 nan 8.210 nan 0.000 0.424 265 c N 0.662 119.228 118.600 -0.056 0.000 2.457 265 c HA -0.076 4.448 4.570 -0.078 0.000 0.278 265 c C 2.625 176.647 174.090 -0.114 0.000 1.309 265 c CA 0.477 56.765 56.329 -0.068 0.000 1.735 265 c CB -0.853 41.641 42.510 -0.025 0.000 1.992 265 c HN 0.488 nan 8.230 nan 0.000 0.493 266 E N 1.357 121.460 120.200 -0.161 0.000 2.031 266 E HA -0.169 4.134 4.350 -0.078 0.000 0.193 266 E C 0.929 177.397 176.600 -0.221 0.000 0.994 266 E CA 1.292 57.583 56.400 -0.182 0.000 0.800 266 E CB -0.249 29.321 29.700 -0.217 0.000 0.752 266 E HN 0.653 nan 8.360 nan 0.000 0.447 267 N N 0.860 119.353 118.700 -0.344 0.000 2.362 267 N HA -0.023 4.670 4.740 -0.078 0.000 0.211 267 N C 0.942 176.332 175.510 -0.200 0.000 1.170 267 N CA 0.000 52.873 53.050 -0.295 0.000 0.828 267 N CB 0.162 38.385 38.487 -0.440 0.000 1.034 267 N HN 0.172 nan 8.380 nan 0.000 0.475 268 Q N 1.021 120.721 119.800 -0.167 0.000 2.065 268 Q HA -0.359 3.934 4.340 -0.078 0.000 0.213 268 Q C 1.794 177.718 176.000 -0.127 0.000 1.012 268 Q CA 2.850 58.569 55.803 -0.140 0.000 0.876 268 Q CB -0.421 28.257 28.738 -0.099 0.000 0.954 268 Q HN 0.623 nan 8.270 nan 0.000 0.413 269 D N -0.950 119.392 120.400 -0.097 0.000 2.190 269 D HA -0.145 4.448 4.640 -0.078 0.000 0.200 269 D C 1.813 178.070 176.300 -0.071 0.000 0.992 269 D CA 1.468 55.424 54.000 -0.073 0.000 0.854 269 D CB -0.612 40.155 40.800 -0.056 0.000 0.936 269 D HN 0.408 nan 8.370 nan 0.000 0.462 270 S N -1.110 114.540 115.700 -0.083 0.000 2.461 270 S HA 0.187 4.610 4.470 -0.078 0.000 0.228 270 S C 1.737 176.290 174.600 -0.079 0.000 1.005 270 S CA 0.358 58.522 58.200 -0.061 0.000 0.942 270 S CB 0.033 63.204 63.200 -0.049 0.000 0.776 270 S HN 0.632 nan 8.310 nan 0.000 0.514 271 I N -0.882 119.595 120.570 -0.156 0.000 4.518 271 I HA 0.195 4.318 4.170 -0.078 0.000 0.231 271 I C 0.883 176.817 176.117 -0.305 0.000 1.003 271 I CA 0.034 61.159 61.300 -0.291 0.000 1.610 271 I CB 0.029 37.733 38.000 -0.493 0.000 1.481 271 I HN 0.073 nan 8.210 nan 0.000 0.462 272 S N -0.472 115.021 115.700 -0.346 0.000 2.599 272 S HA 0.313 4.736 4.470 -0.078 0.000 0.294 272 S C 0.423 174.969 174.600 -0.090 0.000 1.094 272 S CA -0.254 57.842 58.200 -0.173 0.000 0.931 272 S CB 1.602 64.722 63.200 -0.134 0.000 1.093 272 S HN 0.328 nan 8.310 nan 0.000 0.488 273 S N 2.031 117.713 115.700 -0.030 0.000 2.575 273 S HA 0.252 4.676 4.470 -0.078 0.000 0.215 273 S C 0.719 175.315 174.600 -0.006 0.000 0.966 273 S CA -0.263 57.924 58.200 -0.021 0.000 0.911 273 S CB -0.132 63.061 63.200 -0.012 0.000 0.780 273 S HN 0.651 nan 8.310 nan 0.000 0.514 274 K N 0.921 121.328 120.400 0.011 0.000 2.358 274 K HA 0.356 4.629 4.320 -0.078 0.000 0.197 274 K C 1.050 177.664 176.600 0.023 0.000 1.025 274 K CA -0.028 56.274 56.287 0.025 0.000 1.104 274 K CB -0.003 32.527 32.500 0.049 0.000 0.855 274 K HN 0.402 nan 8.250 nan 0.000 0.531 275 L N 1.233 122.457 121.223 0.002 0.000 2.395 275 L HA -0.104 4.189 4.340 -0.078 0.000 0.218 275 L C 2.761 179.628 176.870 -0.006 0.000 1.130 275 L CA 0.774 55.611 54.840 -0.004 0.000 0.826 275 L CB -0.807 41.223 42.059 -0.048 0.000 0.941 275 L HN 0.142 nan 8.230 nan 0.000 0.451 276 K N 1.170 121.564 120.400 -0.009 0.000 1.990 276 K HA -0.331 3.942 4.320 -0.078 0.000 0.225 276 K C 2.018 178.621 176.600 0.005 0.000 1.053 276 K CA 2.515 58.798 56.287 -0.006 0.000 0.982 276 K CB -1.709 30.788 32.500 -0.005 0.000 0.734 276 K HN 0.521 nan 8.250 nan 0.000 0.448 277 E N -0.435 119.772 120.200 0.011 0.000 2.233 277 E HA -0.233 4.071 4.350 -0.078 0.000 0.199 277 E C 2.265 178.880 176.600 0.026 0.000 1.004 277 E CA 1.454 57.866 56.400 0.019 0.000 0.819 277 E CB -2.015 27.698 29.700 0.022 0.000 0.738 277 E HN 0.728 nan 8.360 nan 0.000 0.478 278 c N -0.129 118.485 118.600 0.023 0.000 2.466 278 c HA 0.051 4.574 4.570 -0.078 0.000 0.278 278 c C 2.938 177.045 174.090 0.029 0.000 1.288 278 c CA 0.465 56.811 56.329 0.029 0.000 1.722 278 c CB -1.279 41.248 42.510 0.027 0.000 2.017 278 c HN 0.722 nan 8.230 nan 0.000 0.488 279 c N 0.802 119.412 118.600 0.018 0.000 2.472 279 c HA 0.076 4.599 4.570 -0.078 0.000 0.278 279 c C 2.137 176.237 174.090 0.018 0.000 1.447 279 c CA 1.263 57.601 56.329 0.014 0.000 1.773 279 c CB -1.869 40.640 42.510 -0.002 0.000 1.793 279 c HN 0.776 nan 8.230 nan 0.000 0.544 280 E N 0.633 120.846 120.200 0.021 0.000 2.338 280 E HA 0.506 4.809 4.350 -0.078 0.000 0.231 280 E C 0.248 176.867 176.600 0.033 0.000 1.231 280 E CA 0.614 57.028 56.400 0.023 0.000 1.490 280 E CB -0.421 29.290 29.700 0.018 0.000 1.360 280 E HN 0.790 nan 8.360 nan 0.000 0.435 281 K N 0.163 120.588 120.400 0.041 0.000 2.509 281 K HA 0.783 5.057 4.320 -0.078 0.000 0.266 281 K C -2.959 173.676 176.600 0.058 0.000 0.987 281 K CA -1.562 54.758 56.287 0.054 0.000 0.868 281 K CB 0.282 32.823 32.500 0.068 0.000 1.421 281 K HN 0.127 nan 8.250 nan 0.000 0.444 282 P HA 0.095 nan 4.420 nan 0.000 0.270 282 P C 1.028 178.375 177.300 0.079 0.000 1.227 282 P CA -0.576 62.566 63.100 0.069 0.000 0.788 282 P CB 0.418 32.162 31.700 0.073 0.000 0.926 283 L N 2.535 123.801 121.223 0.073 0.000 1.952 283 L HA -0.248 4.045 4.340 -0.078 0.000 0.231 283 L C 1.987 178.913 176.870 0.093 0.000 1.088 283 L CA 2.031 56.915 54.840 0.074 0.000 0.802 283 L CB -1.575 40.524 42.059 0.067 0.000 0.903 283 L HN 0.318 nan 8.230 nan 0.000 0.439 284 L N -0.738 120.556 121.223 0.118 0.000 1.991 284 L HA -0.315 3.978 4.340 -0.078 0.000 0.221 284 L C 2.631 179.631 176.870 0.217 0.000 1.079 284 L CA 2.407 57.354 54.840 0.179 0.000 0.778 284 L CB -1.061 41.134 42.059 0.227 0.000 0.893 284 L HN 0.453 nan 8.230 nan 0.000 0.437 285 E N -0.384 119.975 120.200 0.265 0.000 2.150 285 E HA -0.198 4.105 4.350 -0.078 0.000 0.193 285 E C 2.092 178.752 176.600 0.101 0.000 0.985 285 E CA 0.889 57.446 56.400 0.262 0.000 0.814 285 E CB -0.070 29.802 29.700 0.286 0.000 0.752 285 E HN 0.308 nan 8.360 nan 0.000 0.466 286 K N 0.172 120.624 120.400 0.088 0.000 1.991 286 K HA -0.156 4.117 4.320 -0.078 0.000 0.212 286 K C 2.303 178.925 176.600 0.036 0.000 1.049 286 K CA 1.593 57.915 56.287 0.058 0.000 0.932 286 K CB -0.199 32.335 32.500 0.057 0.000 0.717 286 K HN -0.008 nan 8.250 nan 0.000 0.441 287 S N -0.307 115.416 115.700 0.038 0.000 2.365 287 S HA -0.231 4.193 4.470 -0.078 0.000 0.225 287 S C 1.821 176.413 174.600 -0.012 0.000 1.039 287 S CA 1.849 60.069 58.200 0.034 0.000 1.033 287 S CB -0.486 62.739 63.200 0.043 0.000 0.887 287 S HN 0.518 nan 8.310 nan 0.000 0.447 288 H N -0.289 118.632 119.070 -0.249 0.000 2.387 288 H HA -0.077 4.428 4.556 -0.085 0.000 0.299 288 H C 2.473 177.658 175.328 -0.239 0.000 1.090 288 H CA 1.855 57.646 56.048 -0.428 0.000 1.332 288 H CB -0.791 28.224 29.762 -1.244 0.000 1.386 288 H HN 0.463 nan 8.280 nan 0.000 0.516 289 c N -0.132 118.374 118.600 -0.157 0.000 2.432 289 c HA -0.101 4.422 4.570 -0.078 0.000 0.277 289 c C 2.757 176.800 174.090 -0.080 0.000 1.249 289 c CA 1.107 57.373 56.329 -0.105 0.000 1.725 289 c CB -1.369 41.143 42.510 0.003 0.000 2.028 289 c HN 0.696 nan 8.230 nan 0.000 0.477 290 I N 1.539 122.097 120.570 -0.020 0.000 2.099 290 I HA -0.188 3.935 4.170 -0.078 0.000 0.239 290 I C 2.848 178.993 176.117 0.046 0.000 1.066 290 I CA 1.849 63.178 61.300 0.050 0.000 1.324 290 I CB -0.692 37.362 38.000 0.091 0.000 1.037 290 I HN 0.400 nan 8.210 nan 0.000 0.401 291 A N -0.292 122.535 122.820 0.012 0.000 2.131 291 A HA -0.168 4.106 4.320 -0.078 0.000 0.220 291 A C 1.908 179.458 177.584 -0.056 0.000 1.158 291 A CA 1.555 53.604 52.037 0.019 0.000 0.665 291 A CB -0.314 18.723 19.000 0.062 0.000 0.795 291 A HN 0.452 nan 8.150 nan 0.000 0.460 292 E N -0.968 119.151 120.200 -0.135 0.000 2.562 292 E HA 0.146 4.450 4.350 -0.078 0.000 0.214 292 E C 0.197 176.750 176.600 -0.079 0.000 0.979 292 E CA -0.200 56.115 56.400 -0.142 0.000 1.002 292 E CB 0.275 29.809 29.700 -0.277 0.000 1.048 292 E HN 0.294 nan 8.360 nan 0.000 0.488 293 V N 3.110 123.004 119.914 -0.034 0.000 2.901 293 V HA -0.083 3.990 4.120 -0.078 0.000 0.307 293 V C 0.486 176.576 176.094 -0.007 0.000 1.084 293 V CA 0.100 62.405 62.300 0.008 0.000 1.184 293 V CB 0.544 32.418 31.823 0.084 0.000 0.941 293 V HN 0.245 nan 8.190 nan 0.000 0.493 294 E N 5.587 125.786 120.200 -0.002 0.000 2.392 294 E HA 0.207 4.510 4.350 -0.078 0.000 0.259 294 E C -0.369 176.223 176.600 -0.014 0.000 1.108 294 E CA -0.748 55.637 56.400 -0.024 0.000 0.916 294 E CB 0.307 29.996 29.700 -0.019 0.000 0.989 294 E HN 0.725 nan 8.360 nan 0.000 0.432 295 N N 1.935 120.604 118.700 -0.052 0.000 2.479 295 N HA -0.023 4.670 4.740 -0.078 0.000 0.257 295 N C -0.312 175.204 175.510 0.009 0.000 1.232 295 N CA -0.009 53.011 53.050 -0.048 0.000 0.920 295 N CB 0.359 38.787 38.487 -0.098 0.000 1.105 295 N HN 0.572 nan 8.380 nan 0.000 0.444 296 D N 0.464 120.906 120.400 0.069 0.000 2.357 296 D HA -0.026 4.568 4.640 -0.078 0.000 0.242 296 D C -0.022 176.284 176.300 0.010 0.000 1.153 296 D CA -0.047 53.993 54.000 0.066 0.000 0.918 296 D CB 0.778 41.648 40.800 0.118 0.000 1.181 296 D HN 0.378 nan 8.370 nan 0.000 0.435 297 E N 1.220 121.419 120.200 -0.001 0.000 2.398 297 E HA 0.018 4.321 4.350 -0.078 0.000 0.263 297 E C -0.031 176.549 176.600 -0.033 0.000 1.046 297 E CA -0.258 56.127 56.400 -0.024 0.000 0.908 297 E CB 0.662 30.349 29.700 -0.021 0.000 0.963 297 E HN 0.405 nan 8.360 nan 0.000 0.431 298 M N 4.721 124.286 119.600 -0.058 0.000 2.200 298 M HA 0.217 4.650 4.480 -0.078 0.000 0.355 298 M C -2.150 174.112 176.300 -0.064 0.000 1.283 298 M CA -1.548 53.706 55.300 -0.078 0.000 1.124 298 M CB 0.777 33.307 32.600 -0.116 0.000 1.625 298 M HN 0.283 nan 8.290 nan 0.000 0.463 299 P HA 0.026 nan 4.420 nan 0.000 0.262 299 P C -0.338 176.932 177.300 -0.050 0.000 1.182 299 P CA 0.006 63.081 63.100 -0.042 0.000 0.761 299 P CB 0.520 32.199 31.700 -0.034 0.000 0.795 300 A N 3.723 126.521 122.820 -0.036 0.000 3.104 300 A HA -0.057 4.216 4.320 -0.078 0.000 0.180 300 A C 1.219 178.779 177.584 -0.040 0.000 0.863 300 A CA 1.785 53.801 52.037 -0.036 0.000 1.125 300 A CB -1.846 17.139 19.000 -0.024 0.000 0.775 300 A HN 0.605 nan 8.150 nan 0.000 0.552 301 D N -0.460 119.922 120.400 -0.030 0.000 2.348 301 D HA 0.513 5.106 4.640 -0.078 0.000 0.259 301 D C -0.413 175.869 176.300 -0.030 0.000 1.296 301 D CA 0.080 54.063 54.000 -0.029 0.000 0.931 301 D CB -0.403 40.386 40.800 -0.019 0.000 1.067 301 D HN 0.429 nan 8.370 nan 0.000 0.503 302 L N 2.791 123.988 121.223 -0.044 0.000 2.317 302 L HA 0.522 4.815 4.340 -0.078 0.000 0.281 302 L C -1.348 175.499 176.870 -0.039 0.000 1.024 302 L CA -1.547 53.265 54.840 -0.046 0.000 0.810 302 L CB 2.211 44.222 42.059 -0.079 0.000 1.240 302 L HN 0.513 nan 8.230 nan 0.000 0.427 303 P HA 0.025 nan 4.420 nan 0.000 0.271 303 P C -0.578 176.712 177.300 -0.017 0.000 1.238 303 P CA -0.359 62.733 63.100 -0.012 0.000 0.794 303 P CB 0.780 32.481 31.700 0.002 0.000 0.959 304 S N -0.581 115.117 115.700 -0.004 0.000 2.586 304 S HA 0.178 4.601 4.470 -0.078 0.000 0.274 304 S C 1.463 176.091 174.600 0.046 0.000 1.281 304 S CA -0.759 57.445 58.200 0.007 0.000 1.035 304 S CB 0.055 63.259 63.200 0.007 0.000 0.962 304 S HN 0.392 nan 8.310 nan 0.000 0.512 305 L N 4.092 125.365 121.223 0.083 0.000 2.017 305 L HA -0.073 4.220 4.340 -0.078 0.000 0.208 305 L C 2.917 179.933 176.870 0.243 0.000 1.073 305 L CA 1.627 56.601 54.840 0.222 0.000 0.745 305 L CB -0.896 41.291 42.059 0.214 0.000 0.894 305 L HN 0.914 nan 8.230 nan 0.000 0.432 306 A N 0.124 122.974 122.820 0.051 0.000 1.971 306 A HA -0.347 3.926 4.320 -0.078 0.000 0.222 306 A C 2.487 180.058 177.584 -0.021 0.000 1.182 306 A CA 2.171 54.111 52.037 -0.162 0.000 0.649 306 A CB -0.896 17.962 19.000 -0.237 0.000 0.818 306 A HN 0.482 nan 8.150 nan 0.000 0.458 307 A N -0.128 122.698 122.820 0.011 0.000 1.848 307 A HA -0.265 4.009 4.320 -0.078 0.000 0.217 307 A C 1.723 179.295 177.584 -0.020 0.000 1.220 307 A CA 2.098 54.136 52.037 0.002 0.000 0.645 307 A CB -0.729 18.269 19.000 -0.003 0.000 0.842 307 A HN 0.486 nan 8.150 nan 0.000 0.451 308 D N -2.114 118.221 120.400 -0.108 0.000 2.350 308 D HA 0.147 4.741 4.640 -0.078 0.000 0.213 308 D C 0.569 176.634 176.300 -0.392 0.000 1.031 308 D CA 0.494 54.315 54.000 -0.298 0.000 0.861 308 D CB 0.045 40.533 40.800 -0.520 0.000 0.926 308 D HN 0.461 nan 8.370 nan 0.000 0.520 309 F N -0.689 119.360 119.950 0.164 0.000 2.706 309 F HA 0.162 4.643 4.527 -0.076 0.000 0.313 309 F C 1.604 177.500 175.800 0.161 0.000 1.096 309 F CA -0.057 58.072 58.000 0.216 0.000 1.219 309 F CB 0.793 39.909 39.000 0.193 0.000 1.051 309 F HN -0.217 nan 8.300 nan 0.000 0.568 310 V N -2.182 117.840 119.914 0.179 0.000 3.154 310 V HA 0.040 4.113 4.120 -0.078 0.000 0.221 310 V C 1.609 177.801 176.094 0.164 0.000 1.504 310 V CA 0.231 62.586 62.300 0.091 0.000 1.243 310 V CB 0.505 32.266 31.823 -0.104 0.000 1.115 310 V HN -0.018 nan 8.190 nan 0.000 0.481 311 E N 0.896 121.182 120.200 0.144 0.000 2.051 311 E HA -0.006 4.298 4.350 -0.078 0.000 0.189 311 E C 1.261 178.072 176.600 0.352 0.000 0.979 311 E CA 0.907 57.462 56.400 0.259 0.000 0.803 311 E CB 0.081 29.851 29.700 0.117 0.000 0.761 311 E HN 0.415 nan 8.360 nan 0.000 0.451 312 S N -0.209 115.608 115.700 0.195 0.000 2.561 312 S HA -0.020 4.403 4.470 -0.078 0.000 0.294 312 S C 0.919 175.686 174.600 0.278 0.000 1.294 312 S CA 0.722 59.016 58.200 0.158 0.000 1.055 312 S CB 1.060 64.302 63.200 0.070 0.000 0.819 312 S HN 0.274 nan 8.310 nan 0.000 0.503 313 K N 2.454 122.970 120.400 0.193 0.000 2.426 313 K HA 0.119 4.392 4.320 -0.078 0.000 0.193 313 K C 0.984 177.688 176.600 0.173 0.000 1.028 313 K CA 0.967 57.387 56.287 0.222 0.000 1.047 313 K CB -0.328 32.205 32.500 0.054 0.000 0.821 313 K HN 0.787 nan 8.250 nan 0.000 0.513 314 D N 0.333 120.796 120.400 0.104 0.000 2.319 314 D HA 0.072 4.666 4.640 -0.078 0.000 0.230 314 D C 1.475 177.778 176.300 0.004 0.000 1.094 314 D CA 0.136 54.161 54.000 0.042 0.000 0.856 314 D CB 0.327 41.127 40.800 0.001 0.000 0.915 314 D HN 0.167 nan 8.370 nan 0.000 0.517 315 V N 0.207 120.157 119.914 0.059 0.000 2.215 315 V HA -0.348 3.725 4.120 -0.078 0.000 0.246 315 V C 2.612 178.671 176.094 -0.059 0.000 1.047 315 V CA 1.508 63.798 62.300 -0.016 0.000 0.999 315 V CB -0.890 30.853 31.823 -0.132 0.000 0.635 315 V HN 0.335 nan 8.190 nan 0.000 0.450 316 c N 0.190 118.822 118.600 0.054 0.000 2.398 316 c HA -0.218 4.305 4.570 -0.078 0.000 0.279 316 c C 3.177 177.315 174.090 0.080 0.000 1.250 316 c CA 1.607 58.005 56.329 0.113 0.000 1.786 316 c CB -1.537 41.074 42.510 0.169 0.000 2.018 316 c HN 0.742 nan 8.230 nan 0.000 0.494 317 K N 1.040 121.448 120.400 0.013 0.000 1.985 317 K HA -0.213 4.060 4.320 -0.078 0.000 0.210 317 K C 1.495 178.038 176.600 -0.095 0.000 1.047 317 K CA 2.121 58.394 56.287 -0.023 0.000 0.932 317 K CB -1.430 31.055 32.500 -0.024 0.000 0.716 317 K HN 0.767 nan 8.250 nan 0.000 0.439 318 N N -0.833 117.737 118.700 -0.216 0.000 2.094 318 N HA -0.191 4.502 4.740 -0.078 0.000 0.191 318 N C 1.844 177.137 175.510 -0.363 0.000 1.023 318 N CA 1.568 54.394 53.050 -0.374 0.000 0.857 318 N CB -0.355 37.709 38.487 -0.705 0.000 1.013 318 N HN 0.549 nan 8.380 nan 0.000 0.426 319 Y N 1.207 121.210 120.300 -0.496 0.000 2.315 319 Y HA -0.129 4.374 4.550 -0.079 0.000 0.288 319 Y C 2.103 177.978 175.900 -0.042 0.000 1.154 319 Y CA 1.129 59.134 58.100 -0.159 0.000 1.229 319 Y CB -0.307 38.145 38.460 -0.013 0.000 0.980 319 Y HN 0.086 nan 8.280 nan 0.000 0.540 320 A N -1.027 121.725 122.820 -0.114 0.000 2.030 320 A HA -0.008 4.266 4.320 -0.078 0.000 0.215 320 A C 2.060 179.571 177.584 -0.122 0.000 1.164 320 A CA 1.115 53.058 52.037 -0.158 0.000 0.697 320 A CB -0.713 18.257 19.000 -0.050 0.000 0.827 320 A HN 0.382 nan 8.150 nan 0.000 0.457 321 E N -0.314 119.831 120.200 -0.092 0.000 2.076 321 E HA 0.235 4.538 4.350 -0.078 0.000 0.190 321 E C 0.829 177.407 176.600 -0.036 0.000 0.979 321 E CA 1.174 57.540 56.400 -0.056 0.000 0.807 321 E CB -0.004 29.667 29.700 -0.048 0.000 0.761 321 E HN 1.001 nan 8.360 nan 0.000 0.454 322 A N 0.334 123.139 122.820 -0.025 0.000 3.453 322 A HA 0.402 4.676 4.320 -0.078 0.000 0.262 322 A C 1.030 178.665 177.584 0.086 0.000 1.026 322 A CA 0.223 52.283 52.037 0.038 0.000 0.938 322 A CB 0.136 19.189 19.000 0.089 0.000 1.246 322 A HN 0.241 nan 8.150 nan 0.000 0.546 323 K N 0.861 121.246 120.400 -0.024 0.000 2.005 323 K HA -0.294 3.979 4.320 -0.078 0.000 0.229 323 K C 1.002 177.716 176.600 0.190 0.000 1.050 323 K CA 2.515 58.792 56.287 -0.018 0.000 0.994 323 K CB -0.237 32.128 32.500 -0.226 0.000 0.736 323 K HN 0.556 nan 8.250 nan 0.000 0.448 324 D N 0.069 120.548 120.400 0.130 0.000 2.190 324 D HA -0.153 4.440 4.640 -0.078 0.000 0.200 324 D C 2.002 178.435 176.300 0.222 0.000 0.992 324 D CA 1.429 55.528 54.000 0.165 0.000 0.854 324 D CB -0.137 40.737 40.800 0.123 0.000 0.936 324 D HN 0.173 nan 8.370 nan 0.000 0.462 325 V N 0.668 120.727 119.914 0.242 0.000 2.323 325 V HA -0.192 3.881 4.120 -0.078 0.000 0.244 325 V C 2.187 178.469 176.094 0.313 0.000 1.041 325 V CA 1.178 63.662 62.300 0.306 0.000 1.025 325 V CB -0.700 31.292 31.823 0.283 0.000 0.656 325 V HN 0.123 nan 8.190 nan 0.000 0.451 326 F N 0.245 120.300 119.950 0.175 0.000 2.091 326 F HA -0.244 4.237 4.527 -0.077 0.000 0.299 326 F C 2.209 178.160 175.800 0.252 0.000 1.103 326 F CA 1.675 59.815 58.000 0.234 0.000 1.228 326 F CB -0.003 39.184 39.000 0.312 0.000 0.984 326 F HN 0.035 nan 8.300 nan 0.000 0.477 327 L N -0.328 121.043 121.223 0.247 0.000 2.083 327 L HA -0.174 4.119 4.340 -0.078 0.000 0.209 327 L C 2.801 179.719 176.870 0.080 0.000 1.083 327 L CA 1.224 56.141 54.840 0.128 0.000 0.752 327 L CB -1.554 40.618 42.059 0.189 0.000 0.899 327 L HN 0.314 nan 8.230 nan 0.000 0.433 328 G N -0.366 108.499 108.800 0.108 0.000 2.440 328 G HA2 -0.274 3.640 3.960 -0.078 0.000 0.218 328 G HA3 -0.274 3.640 3.960 -0.078 0.000 0.218 328 G C 1.653 176.428 174.900 -0.209 0.000 1.154 328 G CA 0.636 45.800 45.100 0.106 0.000 0.767 328 G HN 0.185 nan 8.290 nan 0.000 0.552 329 M N -0.746 118.580 119.600 -0.456 0.000 2.132 329 M HA 0.085 4.518 4.480 -0.078 0.000 0.263 329 M C 2.290 178.434 176.300 -0.259 0.000 1.065 329 M CA 1.063 56.009 55.300 -0.589 0.000 1.122 329 M CB -0.285 32.127 32.600 -0.313 0.000 1.365 329 M HN 0.293 nan 8.290 nan 0.000 0.411 330 F N 1.033 120.649 119.950 -0.556 0.000 2.095 330 F HA -0.283 4.197 4.527 -0.079 0.000 0.298 330 F C 1.947 177.431 175.800 -0.527 0.000 1.104 330 F CA 1.522 58.919 58.000 -1.004 0.000 1.232 330 F CB -0.379 37.974 39.000 -1.080 0.000 0.987 330 F HN 0.005 nan 8.300 nan 0.000 0.475 331 L N 0.077 121.149 121.223 -0.252 0.000 1.994 331 L HA -0.216 4.077 4.340 -0.078 0.000 0.208 331 L C 2.341 179.079 176.870 -0.219 0.000 1.071 331 L CA 2.279 56.983 54.840 -0.226 0.000 0.745 331 L CB -1.655 40.380 42.059 -0.039 0.000 0.892 331 L HN 0.448 nan 8.230 nan 0.000 0.431 332 Y N 0.207 120.373 120.300 -0.222 0.000 2.165 332 Y HA -0.242 4.260 4.550 -0.079 0.000 0.286 332 Y C 2.298 178.093 175.900 -0.174 0.000 1.155 332 Y CA 2.142 60.166 58.100 -0.127 0.000 1.164 332 Y CB -0.181 38.276 38.460 -0.004 0.000 0.978 332 Y HN 0.301 nan 8.280 nan 0.000 0.513 333 E N -0.955 119.042 120.200 -0.340 0.000 2.208 333 E HA -0.186 4.117 4.350 -0.078 0.000 0.193 333 E C 1.778 178.103 176.600 -0.459 0.000 0.988 333 E CA 1.009 57.155 56.400 -0.425 0.000 0.828 333 E CB -0.478 29.128 29.700 -0.158 0.000 0.763 333 E HN 0.612 nan 8.360 nan 0.000 0.478 334 Y N 0.958 120.873 120.300 -0.641 0.000 2.269 334 Y HA 0.034 4.537 4.550 -0.077 0.000 0.294 334 Y C 2.223 177.891 175.900 -0.387 0.000 1.120 334 Y CA 0.807 58.572 58.100 -0.558 0.000 1.159 334 Y CB -0.404 37.547 38.460 -0.849 0.000 1.024 334 Y HN -0.018 nan 8.280 nan 0.000 0.532 335 A N 1.500 124.214 122.820 -0.178 0.000 1.834 335 A HA -0.263 4.010 4.320 -0.078 0.000 0.216 335 A C 2.319 179.754 177.584 -0.248 0.000 1.203 335 A CA 2.479 54.399 52.037 -0.196 0.000 0.621 335 A CB -1.033 17.833 19.000 -0.223 0.000 0.841 335 A HN 0.560 nan 8.150 nan 0.000 0.446 336 R N 0.430 120.724 120.500 -0.343 0.000 2.198 336 R HA -0.245 4.048 4.340 -0.078 0.000 0.258 336 R C 1.618 177.732 176.300 -0.309 0.000 1.173 336 R CA 2.039 57.933 56.100 -0.343 0.000 0.991 336 R CB -0.605 29.399 30.300 -0.492 0.000 0.879 336 R HN 0.688 nan 8.270 nan 0.000 0.460 337 R N -0.498 119.790 120.500 -0.353 0.000 2.466 337 R HA 0.183 4.476 4.340 -0.078 0.000 0.279 337 R C -0.297 175.590 176.300 -0.688 0.000 0.976 337 R CA -0.165 55.670 56.100 -0.442 0.000 1.081 337 R CB 0.268 30.301 30.300 -0.445 0.000 1.215 337 R HN 0.287 nan 8.270 nan 0.000 0.546 338 H N 1.285 120.133 119.070 -0.370 0.000 2.597 338 H HA 0.191 4.700 4.556 -0.079 0.000 0.225 338 H C -2.111 172.997 175.328 -0.367 0.000 1.422 338 H CA -1.530 54.211 56.048 -0.512 0.000 1.335 338 H CB 1.810 31.052 29.762 -0.867 0.000 1.783 338 H HN 0.127 nan 8.280 nan 0.000 0.513 339 P HA -0.065 nan 4.420 nan 0.000 0.233 339 P C 0.793 178.054 177.300 -0.065 0.000 1.167 339 P CA 0.702 63.722 63.100 -0.133 0.000 0.770 339 P CB 0.369 31.983 31.700 -0.143 0.000 0.837 340 D N -1.994 118.389 120.400 -0.028 0.000 2.328 340 D HA -0.065 4.528 4.640 -0.078 0.000 0.226 340 D C 0.086 176.575 176.300 0.315 0.000 1.066 340 D CA -0.009 54.049 54.000 0.097 0.000 0.861 340 D CB -0.465 40.403 40.800 0.113 0.000 0.912 340 D HN 0.095 nan 8.370 nan 0.000 0.521 341 Y N 1.214 121.499 120.300 -0.025 0.000 2.528 341 Y HA 0.397 4.899 4.550 -0.080 0.000 0.335 341 Y C 0.977 176.818 175.900 -0.098 0.000 1.093 341 Y CA -2.599 55.455 58.100 -0.078 0.000 1.134 341 Y CB 1.443 39.824 38.460 -0.133 0.000 1.253 341 Y HN -0.134 nan 8.280 nan 0.000 0.478 342 S N -0.594 115.132 115.700 0.042 0.000 2.610 342 S HA 0.305 4.728 4.470 -0.078 0.000 0.273 342 S C 0.851 175.421 174.600 -0.049 0.000 1.274 342 S CA -0.719 57.474 58.200 -0.012 0.000 1.023 342 S CB 1.227 64.413 63.200 -0.024 0.000 0.962 342 S HN 0.381 nan 8.310 nan 0.000 0.523 343 V N 1.918 121.789 119.914 -0.071 0.000 2.568 343 V HA -0.186 3.888 4.120 -0.078 0.000 0.253 343 V C 2.466 178.512 176.094 -0.081 0.000 1.072 343 V CA 1.934 64.154 62.300 -0.135 0.000 1.084 343 V CB -1.248 30.446 31.823 -0.215 0.000 0.676 343 V HN 0.889 nan 8.190 nan 0.000 0.469 344 V N -1.894 117.998 119.914 -0.038 0.000 2.488 344 V HA -0.110 3.963 4.120 -0.078 0.000 0.246 344 V C 2.310 178.330 176.094 -0.124 0.000 1.046 344 V CA 1.610 63.875 62.300 -0.058 0.000 1.053 344 V CB -0.758 31.037 31.823 -0.046 0.000 0.679 344 V HN 0.442 nan 8.190 nan 0.000 0.458 345 L N 0.070 121.205 121.223 -0.147 0.000 2.046 345 L HA -0.021 4.272 4.340 -0.078 0.000 0.208 345 L C 2.253 178.953 176.870 -0.284 0.000 1.077 345 L CA 1.798 56.499 54.840 -0.232 0.000 0.747 345 L CB -0.691 41.189 42.059 -0.298 0.000 0.896 345 L HN 0.283 nan 8.230 nan 0.000 0.432 346 L N -1.185 119.900 121.223 -0.229 0.000 1.961 346 L HA -0.265 4.028 4.340 -0.078 0.000 0.210 346 L C 2.556 179.256 176.870 -0.282 0.000 1.072 346 L CA 1.712 56.373 54.840 -0.298 0.000 0.749 346 L CB -0.717 41.204 42.059 -0.230 0.000 0.889 346 L HN 0.257 nan 8.230 nan 0.000 0.432 347 L N -0.729 120.380 121.223 -0.190 0.000 2.089 347 L HA -0.302 3.991 4.340 -0.078 0.000 0.213 347 L C 2.827 179.601 176.870 -0.160 0.000 1.079 347 L CA 1.384 56.140 54.840 -0.140 0.000 0.758 347 L CB -0.630 41.375 42.059 -0.090 0.000 0.891 347 L HN 0.288 nan 8.230 nan 0.000 0.433 348 R N 0.105 120.489 120.500 -0.193 0.000 2.073 348 R HA -0.148 4.146 4.340 -0.078 0.000 0.234 348 R C 2.377 178.521 176.300 -0.259 0.000 1.134 348 R CA 1.365 57.348 56.100 -0.196 0.000 0.952 348 R CB -0.241 29.941 30.300 -0.197 0.000 0.850 348 R HN 0.310 nan 8.270 nan 0.000 0.433 349 L N -0.204 120.766 121.223 -0.422 0.000 2.017 349 L HA -0.177 4.116 4.340 -0.078 0.000 0.208 349 L C 2.684 179.304 176.870 -0.416 0.000 1.073 349 L CA 1.351 55.771 54.840 -0.699 0.000 0.745 349 L CB -0.663 40.676 42.059 -1.200 0.000 0.894 349 L HN 0.289 nan 8.230 nan 0.000 0.432 350 A N 0.004 122.684 122.820 -0.233 0.000 1.917 350 A HA -0.278 3.995 4.320 -0.078 0.000 0.219 350 A C 2.533 180.085 177.584 -0.053 0.000 1.182 350 A CA 2.391 54.417 52.037 -0.018 0.000 0.633 350 A CB -0.586 18.428 19.000 0.024 0.000 0.819 350 A HN 0.244 nan 8.150 nan 0.000 0.448 351 K N -1.067 119.289 120.400 -0.074 0.000 2.097 351 K HA -0.075 4.198 4.320 -0.078 0.000 0.205 351 K C 2.244 178.825 176.600 -0.033 0.000 1.050 351 K CA 1.905 58.165 56.287 -0.045 0.000 0.938 351 K CB -1.120 31.346 32.500 -0.055 0.000 0.718 351 K HN 0.698 nan 8.250 nan 0.000 0.442 352 T N -0.005 114.532 114.554 -0.028 0.000 2.788 352 T HA -0.094 4.209 4.350 -0.078 0.000 0.268 352 T C 1.385 176.144 174.700 0.099 0.000 1.044 352 T CA 1.713 63.845 62.100 0.054 0.000 1.139 352 T CB -0.474 68.477 68.868 0.137 0.000 0.867 352 T HN 0.523 nan 8.240 nan 0.000 0.454 353 Y N 2.006 122.265 120.300 -0.069 0.000 2.089 353 Y HA -0.150 4.353 4.550 -0.078 0.000 0.282 353 Y C 2.559 178.312 175.900 -0.245 0.000 1.139 353 Y CA 1.926 59.906 58.100 -0.200 0.000 1.123 353 Y CB -0.566 37.488 38.460 -0.676 0.000 0.980 353 Y HN 0.314 nan 8.280 nan 0.000 0.493 354 E N -0.862 119.209 120.200 -0.215 0.000 2.065 354 E HA -0.270 4.033 4.350 -0.078 0.000 0.201 354 E C 2.054 178.538 176.600 -0.194 0.000 1.016 354 E CA 2.456 58.725 56.400 -0.218 0.000 0.818 354 E CB -0.491 29.201 29.700 -0.013 0.000 0.749 354 E HN 0.470 nan 8.360 nan 0.000 0.453 355 T N 0.073 114.568 114.554 -0.099 0.000 2.699 355 T HA -0.184 4.120 4.350 -0.078 0.000 0.268 355 T C 1.845 176.484 174.700 -0.102 0.000 1.036 355 T CA 1.974 64.036 62.100 -0.063 0.000 1.147 355 T CB -0.564 68.286 68.868 -0.030 0.000 0.862 355 T HN 0.331 nan 8.240 nan 0.000 0.446 356 T N 2.405 116.872 114.554 -0.146 0.000 2.674 356 T HA 0.015 4.319 4.350 -0.078 0.000 0.265 356 T C 1.997 176.567 174.700 -0.217 0.000 1.039 356 T CA 0.943 62.954 62.100 -0.148 0.000 1.150 356 T CB -0.524 68.263 68.868 -0.134 0.000 0.864 356 T HN 0.252 nan 8.240 nan 0.000 0.427 357 L N 0.917 121.868 121.223 -0.454 0.000 2.013 357 L HA -0.167 4.126 4.340 -0.078 0.000 0.212 357 L C 2.950 179.649 176.870 -0.286 0.000 1.073 357 L CA 1.395 55.910 54.840 -0.543 0.000 0.753 357 L CB -0.682 40.679 42.059 -1.163 0.000 0.890 357 L HN 0.255 nan 8.230 nan 0.000 0.432 358 E N 0.441 120.527 120.200 -0.189 0.000 2.048 358 E HA -0.279 4.024 4.350 -0.078 0.000 0.202 358 E C 2.290 178.906 176.600 0.026 0.000 1.021 358 E CA 2.276 58.696 56.400 0.033 0.000 0.825 358 E CB -0.213 29.520 29.700 0.055 0.000 0.756 358 E HN 0.508 nan 8.360 nan 0.000 0.454 359 K N 0.035 120.430 120.400 -0.009 0.000 2.031 359 K HA -0.024 4.249 4.320 -0.078 0.000 0.205 359 K C 2.453 179.057 176.600 0.008 0.000 1.049 359 K CA 1.247 57.536 56.287 0.002 0.000 0.939 359 K CB -1.404 31.092 32.500 -0.008 0.000 0.717 359 K HN 0.284 nan 8.250 nan 0.000 0.438 360 c N 0.764 119.365 118.600 0.002 0.000 2.425 360 c HA -0.020 4.503 4.570 -0.078 0.000 0.277 360 c C 3.058 177.186 174.090 0.063 0.000 1.280 360 c CA 0.730 57.077 56.329 0.031 0.000 1.744 360 c CB -1.541 41.021 42.510 0.087 0.000 1.989 360 c HN 0.775 nan 8.230 nan 0.000 0.491 361 c N 0.515 119.161 118.600 0.076 0.000 2.432 361 c HA 0.057 4.581 4.570 -0.078 0.000 0.280 361 c C 2.427 176.566 174.090 0.081 0.000 1.353 361 c CA 1.013 57.407 56.329 0.108 0.000 1.766 361 c CB -1.493 41.106 42.510 0.148 0.000 1.924 361 c HN 0.696 nan 8.230 nan 0.000 0.509 362 A N -0.175 122.681 122.820 0.061 0.000 2.640 362 A HA 0.677 4.950 4.320 -0.078 0.000 0.282 362 A C 0.705 178.305 177.584 0.027 0.000 1.357 362 A CA 0.512 52.576 52.037 0.044 0.000 0.946 362 A CB -0.412 18.613 19.000 0.042 0.000 1.065 362 A HN 0.484 nan 8.150 nan 0.000 0.541 363 A N -1.332 121.501 122.820 0.022 0.000 2.284 363 A HA 0.784 5.057 4.320 -0.078 0.000 0.317 363 A C 1.458 179.043 177.584 0.002 0.000 1.120 363 A CA 0.103 52.143 52.037 0.005 0.000 0.900 363 A CB 0.183 19.178 19.000 -0.008 0.000 1.319 363 A HN 0.986 nan 8.150 nan 0.000 0.494 364 A N -0.309 122.506 122.820 -0.007 0.000 1.845 364 A HA 0.053 4.326 4.320 -0.078 0.000 0.215 364 A C 0.942 178.518 177.584 -0.012 0.000 1.195 364 A CA 2.020 54.052 52.037 -0.008 0.000 0.616 364 A CB -0.854 18.138 19.000 -0.012 0.000 0.832 364 A HN 1.391 nan 8.150 nan 0.000 0.443 365 D N -2.943 117.440 120.400 -0.028 0.000 2.441 365 D HA 0.451 5.045 4.640 -0.078 0.000 0.287 365 D C -2.316 173.934 176.300 -0.082 0.000 1.198 365 D CA -0.981 52.996 54.000 -0.038 0.000 0.894 365 D CB 0.910 41.687 40.800 -0.038 0.000 1.070 365 D HN 0.204 nan 8.370 nan 0.000 0.499 366 P HA -0.337 nan 4.420 nan 0.000 0.219 366 P C 1.518 178.473 177.300 -0.575 0.000 1.161 366 P CA 1.479 64.500 63.100 -0.132 0.000 0.909 366 P CB -0.173 31.566 31.700 0.064 0.000 0.793 367 H N 0.126 118.817 119.070 -0.630 0.000 2.394 367 H HA -0.168 4.342 4.556 -0.077 0.000 0.297 367 H C 1.593 176.486 175.328 -0.726 0.000 1.113 367 H CA 1.873 57.347 56.048 -0.958 0.000 1.277 367 H CB -0.087 29.480 29.762 -0.325 0.000 1.370 367 H HN 0.259 nan 8.280 nan 0.000 0.506 368 E N -0.761 119.261 120.200 -0.297 0.000 2.285 368 E HA -0.097 4.207 4.350 -0.078 0.000 0.194 368 E C 2.531 178.993 176.600 -0.230 0.000 0.997 368 E CA 0.627 56.915 56.400 -0.187 0.000 0.845 368 E CB 0.035 29.686 29.700 -0.082 0.000 0.782 368 E HN 0.366 nan 8.360 nan 0.000 0.491 369 c N 0.760 119.188 118.600 -0.288 0.000 2.522 369 c HA -0.066 4.457 4.570 -0.078 0.000 0.280 369 c C 2.472 176.482 174.090 -0.133 0.000 1.303 369 c CA 0.513 56.738 56.329 -0.173 0.000 1.709 369 c CB -0.717 41.724 42.510 -0.115 0.000 2.071 369 c HN 0.600 nan 8.230 nan 0.000 0.492 370 Y N 1.232 121.462 120.300 -0.116 0.000 2.490 370 Y HA 0.548 5.052 4.550 -0.077 0.000 0.281 370 Y C 1.872 177.682 175.900 -0.150 0.000 1.174 370 Y CA -0.006 58.017 58.100 -0.129 0.000 1.295 370 Y CB -1.572 36.803 38.460 -0.142 0.000 1.062 370 Y HN 0.227 nan 8.280 nan 0.000 0.522 371 A N 0.952 123.691 122.820 -0.135 0.000 1.933 371 A HA -0.104 4.170 4.320 -0.078 0.000 0.218 371 A C 1.646 179.198 177.584 -0.053 0.000 1.175 371 A CA 1.337 53.288 52.037 -0.144 0.000 0.628 371 A CB -0.492 18.367 19.000 -0.234 0.000 0.814 371 A HN 0.207 nan 8.150 nan 0.000 0.444 372 K N -0.406 119.973 120.400 -0.035 0.000 3.129 372 K HA 0.378 4.651 4.320 -0.078 0.000 0.224 372 K C 0.819 177.411 176.600 -0.014 0.000 1.249 372 K CA 0.437 56.710 56.287 -0.023 0.000 1.177 372 K CB 0.026 32.513 32.500 -0.023 0.000 1.393 372 K HN 0.380 nan 8.250 nan 0.000 0.459 373 V N -0.369 119.552 119.914 0.011 0.000 2.446 373 V HA -0.002 4.072 4.120 -0.078 0.000 0.244 373 V C 1.411 177.335 176.094 -0.283 0.000 1.039 373 V CA 1.540 63.813 62.300 -0.045 0.000 1.045 373 V CB -0.363 31.509 31.823 0.082 0.000 0.681 373 V HN 0.595 nan 8.190 nan 0.000 0.459 374 F N 2.033 121.676 119.950 -0.512 0.000 2.449 374 F HA -0.018 4.463 4.527 -0.076 0.000 0.299 374 F C 2.388 177.987 175.800 -0.334 0.000 1.092 374 F CA 1.032 58.658 58.000 -0.625 0.000 1.446 374 F CB -1.497 37.393 39.000 -0.183 0.000 1.084 374 F HN 0.495 nan 8.300 nan 0.000 0.567 375 D N -0.294 120.085 120.400 -0.036 0.000 2.183 375 D HA -0.115 4.478 4.640 -0.078 0.000 0.203 375 D C 1.823 178.123 176.300 0.000 0.000 0.969 375 D CA 1.135 55.139 54.000 0.007 0.000 0.842 375 D CB -0.579 40.226 40.800 0.007 0.000 0.957 375 D HN 0.470 nan 8.370 nan 0.000 0.484 376 E N -1.044 119.126 120.200 -0.050 0.000 2.511 376 E HA 0.075 4.378 4.350 -0.078 0.000 0.196 376 E C 1.047 177.771 176.600 0.206 0.000 1.066 376 E CA -0.050 56.376 56.400 0.044 0.000 0.871 376 E CB 0.077 29.803 29.700 0.044 0.000 0.863 376 E HN 0.539 nan 8.360 nan 0.000 0.520 377 F N 1.227 121.174 119.950 -0.005 0.000 2.270 377 F HA 0.006 4.488 4.527 -0.075 0.000 0.295 377 F C 2.763 178.519 175.800 -0.074 0.000 1.087 377 F CA 0.808 58.762 58.000 -0.077 0.000 1.365 377 F CB -1.173 37.751 39.000 -0.127 0.000 1.056 377 F HN -0.018 nan 8.300 nan 0.000 0.506 378 K N 0.910 121.411 120.400 0.168 0.000 2.071 378 K HA -0.234 4.039 4.320 -0.078 0.000 0.217 378 K C -0.202 176.416 176.600 0.030 0.000 1.054 378 K CA 2.453 58.788 56.287 0.081 0.000 0.937 378 K CB -2.669 29.873 32.500 0.070 0.000 0.719 378 K HN 0.234 nan 8.250 nan 0.000 0.454 379 P HA -0.097 nan 4.420 nan 0.000 0.213 379 P C 1.535 178.816 177.300 -0.031 0.000 1.170 379 P CA 1.079 64.180 63.100 0.002 0.000 0.898 379 P CB -0.099 31.608 31.700 0.012 0.000 0.787 380 L N -1.280 119.921 121.223 -0.036 0.000 2.127 380 L HA -0.145 4.148 4.340 -0.078 0.000 0.211 380 L C 2.215 178.984 176.870 -0.168 0.000 1.089 380 L CA 1.181 55.962 54.840 -0.099 0.000 0.757 380 L CB -0.995 40.992 42.059 -0.120 0.000 0.899 380 L HN -0.114 nan 8.230 nan 0.000 0.434 381 V N -0.903 118.905 119.914 -0.177 0.000 2.591 381 V HA -0.142 3.931 4.120 -0.078 0.000 0.249 381 V C 2.264 178.240 176.094 -0.197 0.000 1.053 381 V CA 1.266 63.395 62.300 -0.285 0.000 1.068 381 V CB -0.290 31.357 31.823 -0.294 0.000 0.689 381 V HN 0.411 nan 8.190 nan 0.000 0.462 382 E N -0.211 119.925 120.200 -0.107 0.000 2.076 382 E HA -0.163 4.140 4.350 -0.078 0.000 0.190 382 E C 2.260 178.821 176.600 -0.066 0.000 0.979 382 E CA 0.625 56.984 56.400 -0.070 0.000 0.807 382 E CB -0.076 29.604 29.700 -0.034 0.000 0.761 382 E HN 0.503 nan 8.360 nan 0.000 0.454 383 E N 0.652 120.812 120.200 -0.067 0.000 2.068 383 E HA -0.206 4.098 4.350 -0.078 0.000 0.207 383 E C -0.677 175.891 176.600 -0.054 0.000 1.032 383 E CA 1.922 58.290 56.400 -0.054 0.000 0.839 383 E CB -1.020 28.645 29.700 -0.058 0.000 0.758 383 E HN 0.149 nan 8.360 nan 0.000 0.457 384 P HA -0.138 nan 4.420 nan 0.000 0.214 384 P C 1.419 178.688 177.300 -0.051 0.000 1.163 384 P CA 1.744 64.802 63.100 -0.070 0.000 0.883 384 P CB -0.140 31.491 31.700 -0.115 0.000 0.788 385 Q N -0.960 118.799 119.800 -0.068 0.000 2.112 385 Q HA -0.205 4.088 4.340 -0.078 0.000 0.206 385 Q C 1.945 177.934 176.000 -0.018 0.000 0.987 385 Q CA 1.445 57.223 55.803 -0.041 0.000 0.858 385 Q CB -0.523 28.187 28.738 -0.046 0.000 0.905 385 Q HN 0.322 nan 8.270 nan 0.000 0.420 386 N N 0.320 119.010 118.700 -0.017 0.000 2.216 386 N HA -0.118 4.575 4.740 -0.078 0.000 0.183 386 N C 1.767 177.282 175.510 0.009 0.000 1.017 386 N CA 0.669 53.718 53.050 -0.002 0.000 0.861 386 N CB -0.202 38.283 38.487 -0.003 0.000 0.986 386 N HN 0.159 nan 8.380 nan 0.000 0.428 387 L N 1.371 122.598 121.223 0.007 0.000 2.042 387 L HA -0.068 4.226 4.340 -0.078 0.000 0.210 387 L C 1.808 178.700 176.870 0.037 0.000 1.076 387 L CA 1.418 56.273 54.840 0.026 0.000 0.749 387 L CB -0.486 41.586 42.059 0.021 0.000 0.893 387 L HN 0.001 nan 8.230 nan 0.000 0.432 388 I N -0.207 120.375 120.570 0.019 0.000 2.286 388 I HA -0.222 3.901 4.170 -0.078 0.000 0.245 388 I C 2.478 178.602 176.117 0.011 0.000 1.104 388 I CA 1.308 62.618 61.300 0.017 0.000 1.397 388 I CB -1.287 36.716 38.000 0.005 0.000 1.072 388 I HN 0.415 nan 8.210 nan 0.000 0.417 389 K N 0.926 121.333 120.400 0.011 0.000 1.991 389 K HA -0.266 4.007 4.320 -0.078 0.000 0.212 389 K C 2.191 178.803 176.600 0.020 0.000 1.049 389 K CA 1.833 58.127 56.287 0.011 0.000 0.932 389 K CB -0.133 32.374 32.500 0.012 0.000 0.717 389 K HN 0.205 nan 8.250 nan 0.000 0.441 390 Q N 0.657 120.476 119.800 0.032 0.000 1.900 390 Q HA -0.266 4.027 4.340 -0.078 0.000 0.219 390 Q C 1.942 177.984 176.000 0.069 0.000 1.012 390 Q CA 2.381 58.214 55.803 0.049 0.000 0.876 390 Q CB -0.332 28.439 28.738 0.056 0.000 0.952 390 Q HN 0.306 nan 8.270 nan 0.000 0.419 391 N N -0.520 118.238 118.700 0.098 0.000 2.182 391 N HA -0.196 4.497 4.740 -0.078 0.000 0.192 391 N C 1.651 177.152 175.510 -0.014 0.000 1.007 391 N CA 1.539 54.680 53.050 0.153 0.000 0.873 391 N CB -0.567 38.038 38.487 0.197 0.000 0.998 391 N HN 0.378 nan 8.380 nan 0.000 0.436 392 c N -0.066 118.509 118.600 -0.041 0.000 2.486 392 c HA 0.025 4.548 4.570 -0.078 0.000 0.279 392 c C 2.872 176.955 174.090 -0.012 0.000 1.302 392 c CA 0.950 57.225 56.329 -0.090 0.000 1.720 392 c CB -1.089 41.376 42.510 -0.074 0.000 2.030 392 c HN 0.666 nan 8.230 nan 0.000 0.490 393 E N 0.731 120.936 120.200 0.009 0.000 2.033 393 E HA -0.279 4.024 4.350 -0.078 0.000 0.199 393 E C 1.798 178.411 176.600 0.022 0.000 1.011 393 E CA 1.809 58.223 56.400 0.022 0.000 0.815 393 E CB -0.995 28.722 29.700 0.027 0.000 0.755 393 E HN 0.484 nan 8.360 nan 0.000 0.451 394 L N -0.275 120.975 121.223 0.046 0.000 1.951 394 L HA -0.109 4.184 4.340 -0.078 0.000 0.222 394 L C 2.474 179.344 176.870 -0.001 0.000 1.078 394 L CA 2.850 57.744 54.840 0.089 0.000 0.778 394 L CB -1.028 41.181 42.059 0.251 0.000 0.893 394 L HN 0.535 nan 8.230 nan 0.000 0.436 395 F N 0.926 120.606 119.950 -0.450 0.000 2.085 395 F HA -0.353 4.129 4.527 -0.075 0.000 0.299 395 F C 2.460 178.105 175.800 -0.258 0.000 1.096 395 F CA 3.106 60.692 58.000 -0.691 0.000 1.227 395 F CB -0.949 37.402 39.000 -1.081 0.000 0.983 395 F HN 0.317 nan 8.300 nan 0.000 0.482 396 E N -0.046 120.139 120.200 -0.025 0.000 2.209 396 E HA -0.193 4.110 4.350 -0.078 0.000 0.196 396 E C 1.901 178.413 176.600 -0.146 0.000 0.993 396 E CA 1.998 58.365 56.400 -0.056 0.000 0.819 396 E CB -1.475 28.258 29.700 0.055 0.000 0.745 396 E HN 0.747 nan 8.360 nan 0.000 0.477 397 Q N -0.493 119.237 119.800 -0.116 0.000 2.373 397 Q HA 0.455 4.749 4.340 -0.078 0.000 0.210 397 Q C 2.272 178.216 176.000 -0.094 0.000 0.913 397 Q CA 0.830 56.587 55.803 -0.078 0.000 0.911 397 Q CB -0.111 28.613 28.738 -0.023 0.000 1.040 397 Q HN 0.636 nan 8.270 nan 0.000 0.521 398 L N -1.149 120.003 121.223 -0.120 0.000 2.463 398 L HA 0.481 4.774 4.340 -0.078 0.000 0.219 398 L C 1.303 178.082 176.870 -0.153 0.000 1.088 398 L CA 0.324 55.117 54.840 -0.079 0.000 0.849 398 L CB 0.036 42.114 42.059 0.032 0.000 1.012 398 L HN 0.607 nan 8.230 nan 0.000 0.468 399 G N 1.097 109.658 108.800 -0.398 0.000 2.758 399 G HA2 -0.282 3.631 3.960 -0.078 0.000 0.686 399 G HA3 -0.282 3.631 3.960 -0.078 0.000 0.686 399 G C 0.328 175.030 174.900 -0.330 0.000 1.389 399 G CA 0.142 44.977 45.100 -0.441 0.000 0.845 399 G HN 0.309 nan 8.290 nan 0.000 0.572 400 E N -0.524 119.580 120.200 -0.161 0.000 2.058 400 E HA -0.232 4.072 4.350 -0.078 0.000 0.194 400 E C 2.020 178.766 176.600 0.243 0.000 0.997 400 E CA 2.172 58.696 56.400 0.205 0.000 0.801 400 E CB -0.204 29.672 29.700 0.294 0.000 0.746 400 E HN 0.733 nan 8.360 nan 0.000 0.450 401 Y N 0.871 121.216 120.300 0.075 0.000 2.114 401 Y HA -0.214 4.288 4.550 -0.080 0.000 0.284 401 Y C 2.441 178.378 175.900 0.061 0.000 1.143 401 Y CA 3.061 61.199 58.100 0.063 0.000 1.135 401 Y CB -0.875 37.608 38.460 0.037 0.000 0.980 401 Y HN 0.071 nan 8.280 nan 0.000 0.499 402 K N -0.126 120.191 120.400 -0.138 0.000 2.148 402 K HA -0.158 4.115 4.320 -0.078 0.000 0.204 402 K C 2.040 178.588 176.600 -0.087 0.000 1.050 402 K CA 1.452 57.611 56.287 -0.213 0.000 0.942 402 K CB -1.786 30.682 32.500 -0.053 0.000 0.724 402 K HN 0.546 nan 8.250 nan 0.000 0.446 403 F N 1.870 121.759 119.950 -0.102 0.000 2.234 403 F HA -0.079 4.399 4.527 -0.082 0.000 0.299 403 F C 2.391 178.186 175.800 -0.009 0.000 1.087 403 F CA 1.610 59.602 58.000 -0.013 0.000 1.340 403 F CB -0.026 39.039 39.000 0.108 0.000 1.031 403 F HN 0.355 nan 8.300 nan 0.000 0.500 404 Q N -0.088 119.640 119.800 -0.120 0.000 2.079 404 Q HA -0.195 4.098 4.340 -0.078 0.000 0.200 404 Q C 1.980 177.823 176.000 -0.260 0.000 0.974 404 Q CA 1.446 57.129 55.803 -0.201 0.000 0.840 404 Q CB -0.302 28.401 28.738 -0.059 0.000 0.898 404 Q HN 0.384 nan 8.270 nan 0.000 0.430 405 N N 0.722 119.248 118.700 -0.290 0.000 2.069 405 N HA -0.164 4.529 4.740 -0.078 0.000 0.191 405 N C 1.696 177.089 175.510 -0.195 0.000 1.031 405 N CA 1.424 54.321 53.050 -0.254 0.000 0.852 405 N CB -0.397 37.900 38.487 -0.317 0.000 1.018 405 N HN 0.245 nan 8.380 nan 0.000 0.423 406 A N 1.503 124.195 122.820 -0.213 0.000 1.883 406 A HA -0.108 4.165 4.320 -0.078 0.000 0.217 406 A C 2.399 179.869 177.584 -0.191 0.000 1.186 406 A CA 1.133 53.065 52.037 -0.176 0.000 0.624 406 A CB -0.839 18.061 19.000 -0.167 0.000 0.822 406 A HN 0.249 nan 8.150 nan 0.000 0.444 407 L N -0.966 120.070 121.223 -0.311 0.000 2.141 407 L HA -0.126 4.167 4.340 -0.078 0.000 0.209 407 L C 2.551 179.381 176.870 -0.065 0.000 1.094 407 L CA 0.683 55.403 54.840 -0.200 0.000 0.763 407 L CB -0.469 41.373 42.059 -0.361 0.000 0.908 407 L HN 0.378 nan 8.230 nan 0.000 0.437 408 L N -0.900 120.253 121.223 -0.117 0.000 2.027 408 L HA -0.190 4.103 4.340 -0.078 0.000 0.206 408 L C 2.486 179.336 176.870 -0.033 0.000 1.074 408 L CA 0.947 55.742 54.840 -0.075 0.000 0.745 408 L CB -0.287 41.715 42.059 -0.094 0.000 0.898 408 L HN 0.051 nan 8.230 nan 0.000 0.433 409 V N -0.541 119.346 119.914 -0.046 0.000 2.237 409 V HA -0.292 3.781 4.120 -0.078 0.000 0.245 409 V C 2.528 178.605 176.094 -0.028 0.000 1.046 409 V CA 1.687 63.967 62.300 -0.033 0.000 1.007 409 V CB -0.695 31.107 31.823 -0.036 0.000 0.638 409 V HN 0.382 nan 8.190 nan 0.000 0.445 410 R N -1.059 119.425 120.500 -0.027 0.000 2.136 410 R HA -0.251 4.043 4.340 -0.078 0.000 0.242 410 R C 2.335 178.573 176.300 -0.104 0.000 1.131 410 R CA 2.647 58.713 56.100 -0.056 0.000 0.937 410 R CB -0.621 29.660 30.300 -0.032 0.000 0.863 410 R HN 0.529 nan 8.270 nan 0.000 0.435 411 Y N 0.209 120.432 120.300 -0.129 0.000 2.242 411 Y HA -0.171 4.336 4.550 -0.072 0.000 0.291 411 Y C 2.671 178.489 175.900 -0.137 0.000 1.137 411 Y CA 1.622 59.635 58.100 -0.146 0.000 1.181 411 Y CB -0.399 37.946 38.460 -0.191 0.000 0.989 411 Y HN 0.124 nan 8.280 nan 0.000 0.527 412 T N -0.135 114.419 114.554 0.001 0.000 2.788 412 T HA -0.170 4.133 4.350 -0.078 0.000 0.268 412 T C 1.775 176.401 174.700 -0.122 0.000 1.044 412 T CA 1.459 63.520 62.100 -0.064 0.000 1.139 412 T CB -0.145 68.691 68.868 -0.055 0.000 0.867 412 T HN 0.314 nan 8.240 nan 0.000 0.454 413 K N 1.016 121.355 120.400 -0.101 0.000 2.097 413 K HA -0.024 4.250 4.320 -0.078 0.000 0.205 413 K C 2.388 178.910 176.600 -0.129 0.000 1.050 413 K CA 0.936 57.160 56.287 -0.104 0.000 0.938 413 K CB -0.065 32.394 32.500 -0.068 0.000 0.718 413 K HN 0.298 nan 8.250 nan 0.000 0.442 414 K N 0.676 120.986 120.400 -0.151 0.000 2.002 414 K HA -0.092 4.181 4.320 -0.078 0.000 0.209 414 K C 1.094 177.623 176.600 -0.118 0.000 1.048 414 K CA 1.468 57.662 56.287 -0.155 0.000 0.930 414 K CB 0.159 32.501 32.500 -0.263 0.000 0.714 414 K HN 0.078 nan 8.250 nan 0.000 0.438 415 V N -2.055 117.786 119.914 -0.121 0.000 2.405 415 V HA 0.252 4.325 4.120 -0.078 0.000 0.253 415 V C -2.648 173.346 176.094 -0.166 0.000 0.963 415 V CA -1.567 60.668 62.300 -0.107 0.000 1.003 415 V CB 1.142 32.935 31.823 -0.049 0.000 1.251 415 V HN -0.055 nan 8.190 nan 0.000 0.520 416 P HA -0.138 nan 4.420 nan 0.000 0.220 416 P C 1.349 178.441 177.300 -0.347 0.000 1.144 416 P CA 1.451 64.229 63.100 -0.538 0.000 0.800 416 P CB 0.263 31.136 31.700 -1.379 0.000 0.772 417 Q N -0.742 118.949 119.800 -0.182 0.000 2.079 417 Q HA -0.030 4.263 4.340 -0.078 0.000 0.200 417 Q C 0.791 176.793 176.000 0.004 0.000 0.974 417 Q CA 0.521 56.310 55.803 -0.023 0.000 0.840 417 Q CB -1.565 27.198 28.738 0.041 0.000 0.898 417 Q HN 0.087 nan 8.270 nan 0.000 0.430 418 V N 2.408 122.322 119.914 0.001 0.000 2.872 418 V HA -0.098 3.976 4.120 -0.078 0.000 0.302 418 V C 0.624 176.718 176.094 -0.000 0.000 1.166 418 V CA 0.309 62.627 62.300 0.030 0.000 1.298 418 V CB 0.156 31.983 31.823 0.006 0.000 0.894 418 V HN 0.441 nan 8.190 nan 0.000 0.509 419 S N 2.982 118.687 115.700 0.007 0.000 2.516 419 S HA 0.030 4.454 4.470 -0.078 0.000 0.282 419 S C 1.265 175.843 174.600 -0.036 0.000 1.286 419 S CA 0.083 58.273 58.200 -0.017 0.000 1.066 419 S CB 0.904 64.094 63.200 -0.017 0.000 0.884 419 S HN 0.830 nan 8.310 nan 0.000 0.491 420 T N 5.266 119.789 114.554 -0.051 0.000 2.680 420 T HA -0.114 4.189 4.350 -0.078 0.000 0.268 420 T C -0.930 173.732 174.700 -0.064 0.000 1.033 420 T CA 2.153 64.212 62.100 -0.067 0.000 1.152 420 T CB -1.694 67.117 68.868 -0.095 0.000 0.859 420 T HN 0.599 nan 8.240 nan 0.000 0.452 421 P HA -0.061 nan 4.420 nan 0.000 0.214 421 P C 1.772 179.042 177.300 -0.050 0.000 1.163 421 P CA 1.274 64.343 63.100 -0.051 0.000 0.883 421 P CB -0.300 31.373 31.700 -0.045 0.000 0.788 422 T N 0.212 114.738 114.554 -0.046 0.000 2.607 422 T HA -0.161 4.142 4.350 -0.078 0.000 0.267 422 T C 1.780 176.437 174.700 -0.072 0.000 1.049 422 T CA 1.248 63.318 62.100 -0.051 0.000 1.162 422 T CB -1.173 67.677 68.868 -0.031 0.000 0.863 422 T HN 0.037 nan 8.240 nan 0.000 0.424 423 L N 0.763 121.944 121.223 -0.069 0.000 2.081 423 L HA -0.142 4.152 4.340 -0.078 0.000 0.212 423 L C 2.648 179.461 176.870 -0.095 0.000 1.080 423 L CA 1.044 55.832 54.840 -0.086 0.000 0.754 423 L CB -0.816 41.203 42.059 -0.068 0.000 0.893 423 L HN 0.188 nan 8.230 nan 0.000 0.433 424 V N -0.360 119.510 119.914 -0.074 0.000 2.270 424 V HA -0.270 3.803 4.120 -0.078 0.000 0.245 424 V C 2.439 178.494 176.094 -0.064 0.000 1.043 424 V CA 1.866 64.129 62.300 -0.062 0.000 1.014 424 V CB -0.373 31.424 31.823 -0.043 0.000 0.645 424 V HN 0.454 nan 8.190 nan 0.000 0.447 425 E N 0.104 120.267 120.200 -0.061 0.000 2.023 425 E HA -0.206 4.097 4.350 -0.078 0.000 0.196 425 E C 2.229 178.776 176.600 -0.089 0.000 1.003 425 E CA 1.951 58.317 56.400 -0.056 0.000 0.809 425 E CB -0.105 29.565 29.700 -0.050 0.000 0.755 425 E HN 0.370 nan 8.360 nan 0.000 0.449 426 V N 0.836 120.672 119.914 -0.130 0.000 2.250 426 V HA -0.335 3.739 4.120 -0.078 0.000 0.250 426 V C 2.417 178.356 176.094 -0.258 0.000 1.060 426 V CA 2.212 64.389 62.300 -0.204 0.000 1.030 426 V CB -0.726 30.943 31.823 -0.257 0.000 0.643 426 V HN 0.258 nan 8.190 nan 0.000 0.445 427 S N -0.687 114.861 115.700 -0.255 0.000 2.368 427 S HA -0.172 4.251 4.470 -0.078 0.000 0.225 427 S C 2.042 176.543 174.600 -0.164 0.000 1.030 427 S CA 1.442 59.476 58.200 -0.275 0.000 0.999 427 S CB -0.343 62.726 63.200 -0.218 0.000 0.844 427 S HN 0.541 nan 8.310 nan 0.000 0.459 428 R N 1.572 122.017 120.500 -0.091 0.000 2.080 428 R HA -0.077 4.216 4.340 -0.078 0.000 0.236 428 R C 2.073 178.380 176.300 0.012 0.000 1.137 428 R CA 1.544 57.634 56.100 -0.016 0.000 0.943 428 R CB -0.617 29.690 30.300 0.011 0.000 0.846 428 R HN 0.373 nan 8.270 nan 0.000 0.431 429 N N 1.130 119.822 118.700 -0.013 0.000 2.025 429 N HA -0.164 4.529 4.740 -0.078 0.000 0.194 429 N C 2.023 177.564 175.510 0.051 0.000 1.044 429 N CA 1.258 54.330 53.050 0.037 0.000 0.851 429 N CB -0.528 37.944 38.487 -0.026 0.000 1.036 429 N HN 0.169 nan 8.380 nan 0.000 0.422 430 L N 0.464 121.625 121.223 -0.104 0.000 2.089 430 L HA -0.183 4.111 4.340 -0.078 0.000 0.213 430 L C 2.362 179.275 176.870 0.073 0.000 1.079 430 L CA 1.560 56.331 54.840 -0.115 0.000 0.758 430 L CB -0.925 40.948 42.059 -0.311 0.000 0.891 430 L HN 0.279 nan 8.230 nan 0.000 0.433 431 G N -0.459 108.383 108.800 0.070 0.000 2.443 431 G HA2 -0.198 3.716 3.960 -0.078 0.000 0.219 431 G HA3 -0.198 3.716 3.960 -0.078 0.000 0.219 431 G C 1.611 176.707 174.900 0.326 0.000 1.131 431 G CA 0.258 45.505 45.100 0.245 0.000 0.775 431 G HN 0.334 nan 8.290 nan 0.000 0.547 432 K N 0.097 120.637 120.400 0.233 0.000 2.211 432 K HA -0.036 4.237 4.320 -0.078 0.000 0.204 432 K C 2.370 179.006 176.600 0.061 0.000 1.047 432 K CA 0.773 57.157 56.287 0.162 0.000 0.935 432 K CB -0.312 32.270 32.500 0.137 0.000 0.728 432 K HN 0.202 nan 8.250 nan 0.000 0.452 433 V N 1.361 121.394 119.914 0.198 0.000 2.453 433 V HA -0.244 3.829 4.120 -0.078 0.000 0.252 433 V C 2.066 178.039 176.094 -0.202 0.000 1.068 433 V CA 2.361 64.707 62.300 0.077 0.000 1.070 433 V CB -0.786 31.205 31.823 0.280 0.000 0.664 433 V HN 0.497 nan 8.190 nan 0.000 0.461 434 G N -0.139 108.457 108.800 -0.339 0.000 2.545 434 G HA2 -0.354 3.560 3.960 -0.078 0.000 0.217 434 G HA3 -0.354 3.560 3.960 -0.078 0.000 0.217 434 G C 1.804 175.882 174.900 -1.370 0.000 1.218 434 G CA 1.578 45.922 45.100 -1.260 0.000 0.787 434 G HN 0.787 nan 8.290 nan 0.000 0.571 435 S N -0.371 114.847 115.700 -0.803 0.000 2.489 435 S HA -0.004 4.419 4.470 -0.078 0.000 0.228 435 S C 1.996 176.430 174.600 -0.276 0.000 0.995 435 S CA 1.628 59.629 58.200 -0.333 0.000 0.934 435 S CB 0.119 63.347 63.200 0.047 0.000 0.771 435 S HN 0.327 nan 8.310 nan 0.000 0.522 436 K N 0.318 120.546 120.400 -0.288 0.000 2.167 436 K HA 0.145 4.418 4.320 -0.078 0.000 0.203 436 K C 1.676 178.123 176.600 -0.256 0.000 1.052 436 K CA 1.198 57.326 56.287 -0.266 0.000 0.956 436 K CB -0.884 31.398 32.500 -0.363 0.000 0.735 436 K HN 0.768 nan 8.250 nan 0.000 0.451 437 c N -2.082 116.361 118.600 -0.262 0.000 2.854 437 c HA 0.311 4.835 4.570 -0.078 0.000 0.524 437 c C 2.483 176.457 174.090 -0.193 0.000 1.332 437 c CA -0.091 56.146 56.329 -0.154 0.000 2.553 437 c CB -0.480 42.006 42.510 -0.040 0.000 3.360 437 c HN 0.679 nan 8.230 nan 0.000 0.541 438 c N 2.197 120.628 118.600 -0.282 0.000 2.388 438 c HA -0.083 4.440 4.570 -0.078 0.000 0.299 438 c C 2.781 176.774 174.090 -0.162 0.000 1.390 438 c CA 2.008 58.200 56.329 -0.229 0.000 1.808 438 c CB -1.847 40.446 42.510 -0.361 0.000 1.831 438 c HN 0.761 nan 8.230 nan 0.000 0.548 439 K N -0.571 119.689 120.400 -0.234 0.000 2.487 439 K HA 0.036 4.309 4.320 -0.078 0.000 0.192 439 K C 0.555 177.056 176.600 -0.166 0.000 1.027 439 K CA 0.625 56.796 56.287 -0.192 0.000 1.054 439 K CB -0.432 31.930 32.500 -0.231 0.000 0.824 439 K HN 0.697 nan 8.250 nan 0.000 0.510 440 H N 0.576 119.615 119.070 -0.051 0.000 2.482 440 H HA 0.312 4.820 4.556 -0.081 0.000 0.344 440 H C -2.368 172.944 175.328 -0.027 0.000 1.151 440 H CA -2.432 53.594 56.048 -0.036 0.000 1.300 440 H CB 1.531 31.269 29.762 -0.040 0.000 1.494 440 H HN 0.157 nan 8.280 nan 0.000 0.542 441 P HA -0.010 nan 4.420 nan 0.000 0.272 441 P C 0.706 178.033 177.300 0.046 0.000 1.223 441 P CA -0.124 63.011 63.100 0.060 0.000 0.784 441 P CB 1.200 32.924 31.700 0.040 0.000 0.923 442 E N 1.507 121.727 120.200 0.033 0.000 2.208 442 E HA -0.263 4.041 4.350 -0.078 0.000 0.202 442 E C 2.096 178.712 176.600 0.027 0.000 1.014 442 E CA 2.013 58.431 56.400 0.029 0.000 0.819 442 E CB -1.275 28.442 29.700 0.027 0.000 0.735 442 E HN 0.696 nan 8.360 nan 0.000 0.469 443 A N 0.932 123.762 122.820 0.016 0.000 1.883 443 A HA -0.236 4.037 4.320 -0.078 0.000 0.217 443 A C 2.051 179.627 177.584 -0.013 0.000 1.186 443 A CA 1.980 54.021 52.037 0.006 0.000 0.624 443 A CB -0.333 18.658 19.000 -0.015 0.000 0.822 443 A HN 0.434 nan 8.150 nan 0.000 0.444 444 K N -1.263 119.107 120.400 -0.049 0.000 2.358 444 K HA 0.198 4.471 4.320 -0.078 0.000 0.197 444 K C 1.841 178.401 176.600 -0.067 0.000 1.025 444 K CA -0.161 56.058 56.287 -0.114 0.000 1.104 444 K CB 0.301 32.627 32.500 -0.290 0.000 0.855 444 K HN 0.317 nan 8.250 nan 0.000 0.531 445 R N 0.885 121.390 120.500 0.007 0.000 2.066 445 R HA 0.005 4.298 4.340 -0.078 0.000 0.232 445 R C 2.262 178.577 176.300 0.027 0.000 1.131 445 R CA 1.400 57.524 56.100 0.040 0.000 0.955 445 R CB -0.080 30.242 30.300 0.037 0.000 0.851 445 R HN 0.205 nan 8.270 nan 0.000 0.432 446 M N 1.052 120.664 119.600 0.019 0.000 2.067 446 M HA -0.082 4.351 4.480 -0.078 0.000 0.260 446 M C -0.908 175.401 176.300 0.015 0.000 1.069 446 M CA 1.679 56.986 55.300 0.011 0.000 1.117 446 M CB -0.810 31.788 32.600 -0.002 0.000 1.334 446 M HN -0.048 nan 8.290 nan 0.000 0.407 447 P HA -0.162 nan 4.420 nan 0.000 0.216 447 P C 1.783 179.097 177.300 0.023 0.000 1.150 447 P CA 1.516 64.620 63.100 0.007 0.000 0.837 447 P CB -0.549 31.140 31.700 -0.018 0.000 0.786 448 c N -0.040 118.572 118.600 0.020 0.000 2.413 448 c HA -0.039 4.485 4.570 -0.078 0.000 0.276 448 c C 3.026 177.170 174.090 0.091 0.000 1.236 448 c CA 1.798 58.156 56.329 0.049 0.000 1.735 448 c CB -1.624 40.936 42.510 0.082 0.000 2.031 448 c HN 0.266 nan 8.230 nan 0.000 0.474 449 A N -0.337 122.531 122.820 0.080 0.000 1.835 449 A HA -0.109 4.165 4.320 -0.078 0.000 0.213 449 A C 2.165 179.814 177.584 0.108 0.000 1.210 449 A CA 1.534 53.633 52.037 0.103 0.000 0.605 449 A CB -1.121 17.913 19.000 0.057 0.000 0.860 449 A HN 0.733 nan 8.150 nan 0.000 0.447 450 E N -0.355 119.879 120.200 0.056 0.000 2.153 450 E HA -0.216 4.087 4.350 -0.078 0.000 0.194 450 E C 1.073 177.695 176.600 0.037 0.000 0.988 450 E CA 1.336 57.755 56.400 0.032 0.000 0.811 450 E CB -0.077 29.622 29.700 -0.002 0.000 0.746 450 E HN 0.535 nan 8.360 nan 0.000 0.466 451 D N -0.453 119.987 120.400 0.065 0.000 2.194 451 D HA -0.143 4.450 4.640 -0.078 0.000 0.204 451 D C 1.578 177.938 176.300 0.101 0.000 0.964 451 D CA 0.606 54.654 54.000 0.081 0.000 0.846 451 D CB -0.233 40.629 40.800 0.102 0.000 0.962 451 D HN 0.294 nan 8.370 nan 0.000 0.490 452 Y N 1.846 122.152 120.300 0.009 0.000 2.242 452 Y HA -0.100 4.390 4.550 -0.100 0.000 0.291 452 Y C 2.068 177.961 175.900 -0.012 0.000 1.137 452 Y CA 0.957 59.057 58.100 0.001 0.000 1.181 452 Y CB -0.476 37.984 38.460 -0.001 0.000 0.989 452 Y HN -0.111 nan 8.280 nan 0.000 0.527 453 L N -1.000 120.109 121.223 -0.190 0.000 2.056 453 L HA -0.211 4.082 4.340 -0.078 0.000 0.207 453 L C 2.447 179.196 176.870 -0.202 0.000 1.078 453 L CA 1.537 56.221 54.840 -0.261 0.000 0.749 453 L CB -0.752 41.255 42.059 -0.086 0.000 0.901 453 L HN 0.071 nan 8.230 nan 0.000 0.433 454 S N -0.579 115.058 115.700 -0.105 0.000 2.419 454 S HA -0.131 4.292 4.470 -0.078 0.000 0.235 454 S C 1.970 176.503 174.600 -0.111 0.000 1.019 454 S CA 0.951 59.106 58.200 -0.075 0.000 0.982 454 S CB -0.160 63.014 63.200 -0.044 0.000 0.789 454 S HN 0.166 nan 8.310 nan 0.000 0.490 455 V N 1.069 120.891 119.914 -0.153 0.000 2.255 455 V HA -0.097 3.976 4.120 -0.078 0.000 0.243 455 V C 2.325 178.298 176.094 -0.202 0.000 1.038 455 V CA 1.272 63.480 62.300 -0.153 0.000 1.008 455 V CB -0.698 31.066 31.823 -0.097 0.000 0.645 455 V HN 0.331 nan 8.190 nan 0.000 0.449 456 V N 0.047 119.755 119.914 -0.345 0.000 2.282 456 V HA -0.295 3.778 4.120 -0.078 0.000 0.249 456 V C 2.339 178.293 176.094 -0.233 0.000 1.057 456 V CA 2.088 64.192 62.300 -0.326 0.000 1.032 456 V CB -0.604 30.936 31.823 -0.472 0.000 0.645 456 V HN 0.455 nan 8.190 nan 0.000 0.447 457 L N 0.232 121.334 121.223 -0.202 0.000 2.265 457 L HA -0.185 4.108 4.340 -0.078 0.000 0.215 457 L C 2.303 179.146 176.870 -0.045 0.000 1.117 457 L CA 1.654 56.422 54.840 -0.119 0.000 0.782 457 L CB -0.642 41.420 42.059 0.006 0.000 0.914 457 L HN 0.461 nan 8.230 nan 0.000 0.441 458 N N -0.334 118.325 118.700 -0.068 0.000 2.300 458 N HA -0.161 4.532 4.740 -0.078 0.000 0.179 458 N C 1.839 177.313 175.510 -0.060 0.000 1.016 458 N CA 0.931 53.953 53.050 -0.047 0.000 0.876 458 N CB 0.159 38.601 38.487 -0.075 0.000 0.979 458 N HN 0.295 nan 8.380 nan 0.000 0.432 459 Q N -0.152 119.595 119.800 -0.087 0.000 1.967 459 Q HA -0.159 4.134 4.340 -0.078 0.000 0.202 459 Q C 1.920 177.884 176.000 -0.061 0.000 0.985 459 Q CA 1.531 57.285 55.803 -0.083 0.000 0.839 459 Q CB -0.427 28.253 28.738 -0.096 0.000 0.906 459 Q HN 0.347 nan 8.270 nan 0.000 0.423 460 L N 0.869 122.044 121.223 -0.081 0.000 2.034 460 L HA -0.269 4.025 4.340 -0.078 0.000 0.217 460 L C 2.218 179.102 176.870 0.022 0.000 1.077 460 L CA 1.911 56.714 54.840 -0.062 0.000 0.769 460 L CB -0.920 41.049 42.059 -0.149 0.000 0.890 460 L HN 0.357 nan 8.230 nan 0.000 0.435 461 c N -1.466 117.159 118.600 0.041 0.000 2.429 461 c HA -0.137 4.386 4.570 -0.078 0.000 0.277 461 c C 2.833 176.968 174.090 0.075 0.000 1.262 461 c CA 1.080 57.463 56.329 0.091 0.000 1.733 461 c CB -1.153 41.413 42.510 0.093 0.000 2.010 461 c HN 0.671 nan 8.230 nan 0.000 0.483 462 V N -0.323 119.598 119.914 0.010 0.000 2.323 462 V HA -0.125 3.949 4.120 -0.078 0.000 0.244 462 V C 2.179 178.271 176.094 -0.004 0.000 1.041 462 V CA 1.782 64.069 62.300 -0.022 0.000 1.025 462 V CB -1.149 30.623 31.823 -0.085 0.000 0.656 462 V HN 0.545 nan 8.190 nan 0.000 0.451 463 L N 0.086 121.309 121.223 -0.001 0.000 2.013 463 L HA -0.229 4.065 4.340 -0.078 0.000 0.212 463 L C 2.964 179.847 176.870 0.022 0.000 1.073 463 L CA 2.548 57.387 54.840 -0.002 0.000 0.753 463 L CB -1.179 40.875 42.059 -0.009 0.000 0.890 463 L HN 0.554 nan 8.230 nan 0.000 0.432 464 H N 0.511 119.565 119.070 -0.027 0.000 2.290 464 H HA -0.256 4.251 4.556 -0.082 0.000 0.298 464 H C 2.118 177.437 175.328 -0.015 0.000 1.087 464 H CA 2.124 58.164 56.048 -0.013 0.000 1.291 464 H CB 0.027 29.794 29.762 0.008 0.000 1.369 464 H HN 0.379 nan 8.280 nan 0.000 0.492 465 E N 0.511 120.714 120.200 0.005 0.000 2.236 465 E HA -0.284 4.019 4.350 -0.078 0.000 0.205 465 E C 2.437 178.963 176.600 -0.123 0.000 1.028 465 E CA 2.091 58.454 56.400 -0.061 0.000 0.827 465 E CB -0.020 29.672 29.700 -0.014 0.000 0.735 465 E HN 0.601 nan 8.360 nan 0.000 0.470 466 K N 0.173 120.508 120.400 -0.108 0.000 1.991 466 K HA -0.119 4.154 4.320 -0.078 0.000 0.212 466 K C 1.640 178.166 176.600 -0.124 0.000 1.049 466 K CA 1.909 58.141 56.287 -0.093 0.000 0.932 466 K CB -1.205 31.256 32.500 -0.064 0.000 0.717 466 K HN 0.355 nan 8.250 nan 0.000 0.441 467 T N -0.680 113.770 114.554 -0.173 0.000 3.241 467 T HA 0.397 4.701 4.350 -0.078 0.000 0.387 467 T C -3.084 171.418 174.700 -0.329 0.000 1.451 467 T CA -1.867 60.126 62.100 -0.178 0.000 1.363 467 T CB 1.251 70.055 68.868 -0.108 0.000 1.074 467 T HN 0.206 nan 8.240 nan 0.000 0.598 468 P HA 0.134 nan 4.420 nan 0.000 0.265 468 P C 1.039 178.217 177.300 -0.202 0.000 1.222 468 P CA -0.295 62.434 63.100 -0.619 0.000 0.767 468 P CB 1.345 32.884 31.700 -0.268 0.000 0.801 469 V N 1.149 121.053 119.914 -0.016 0.000 3.307 469 V HA 0.196 4.269 4.120 -0.078 0.000 0.244 469 V C 0.887 177.087 176.094 0.175 0.000 1.196 469 V CA 0.579 62.936 62.300 0.095 0.000 1.132 469 V CB -0.069 31.796 31.823 0.071 0.000 0.875 469 V HN 0.488 nan 8.190 nan 0.000 0.468 470 S N 2.120 118.011 115.700 0.319 0.000 2.429 470 S HA 0.277 4.700 4.470 -0.078 0.000 0.302 470 S C 0.748 175.416 174.600 0.114 0.000 1.115 470 S CA -0.031 58.255 58.200 0.143 0.000 1.095 470 S CB 0.905 64.130 63.200 0.041 0.000 0.987 470 S HN 0.637 nan 8.310 nan 0.000 0.474 471 D N 5.035 125.478 120.400 0.073 0.000 2.317 471 D HA -0.073 4.520 4.640 -0.078 0.000 0.211 471 D C 1.404 177.705 176.300 0.003 0.000 0.966 471 D CA 0.346 54.376 54.000 0.051 0.000 0.876 471 D CB 0.054 40.876 40.800 0.036 0.000 0.927 471 D HN 0.559 nan 8.370 nan 0.000 0.519 472 R N 0.621 121.113 120.500 -0.013 0.000 2.115 472 R HA 0.027 4.320 4.340 -0.078 0.000 0.226 472 R C 2.448 178.709 176.300 -0.065 0.000 1.100 472 R CA 0.362 56.439 56.100 -0.039 0.000 0.980 472 R CB -0.139 30.147 30.300 -0.023 0.000 0.875 472 R HN 0.045 nan 8.270 nan 0.000 0.445 473 V N 0.494 120.361 119.914 -0.080 0.000 2.453 473 V HA -0.199 3.875 4.120 -0.078 0.000 0.247 473 V C 2.020 178.034 176.094 -0.133 0.000 1.048 473 V CA 1.977 64.210 62.300 -0.111 0.000 1.049 473 V CB -0.279 31.258 31.823 -0.478 0.000 0.672 473 V HN 0.373 nan 8.190 nan 0.000 0.457 474 T N -0.393 114.112 114.554 -0.081 0.000 2.708 474 T HA -0.222 4.081 4.350 -0.078 0.000 0.266 474 T C 1.909 176.596 174.700 -0.022 0.000 1.037 474 T CA 1.874 63.988 62.100 0.023 0.000 1.146 474 T CB -0.141 68.784 68.868 0.095 0.000 0.865 474 T HN 0.455 nan 8.240 nan 0.000 0.435 475 K N 0.365 120.733 120.400 -0.053 0.000 1.969 475 K HA -0.154 4.120 4.320 -0.078 0.000 0.216 475 K C 2.529 179.052 176.600 -0.129 0.000 1.048 475 K CA 1.849 58.092 56.287 -0.074 0.000 0.948 475 K CB -0.696 31.756 32.500 -0.081 0.000 0.726 475 K HN 0.284 nan 8.250 nan 0.000 0.442 476 c N 0.806 119.256 118.600 -0.250 0.000 2.385 476 c HA -0.235 4.289 4.570 -0.078 0.000 0.275 476 c C 3.031 176.947 174.090 -0.289 0.000 1.199 476 c CA 0.999 57.069 56.329 -0.431 0.000 1.782 476 c CB -1.127 40.765 42.510 -1.029 0.000 2.068 476 c HN 0.690 nan 8.230 nan 0.000 0.471 477 c N 0.177 118.690 118.600 -0.146 0.000 2.476 477 c HA -0.067 4.457 4.570 -0.078 0.000 0.278 477 c C 2.965 177.119 174.090 0.105 0.000 1.274 477 c CA 1.819 58.155 56.329 0.013 0.000 1.713 477 c CB -1.577 40.979 42.510 0.077 0.000 2.039 477 c HN 0.828 nan 8.230 nan 0.000 0.484 478 T N -0.758 113.840 114.554 0.073 0.000 2.896 478 T HA -0.117 4.187 4.350 -0.078 0.000 0.263 478 T C 1.512 176.305 174.700 0.155 0.000 1.050 478 T CA 1.619 63.789 62.100 0.117 0.000 1.140 478 T CB -0.376 68.511 68.868 0.032 0.000 0.877 478 T HN 0.480 nan 8.240 nan 0.000 0.457 479 E N 2.839 123.068 120.200 0.048 0.000 2.068 479 E HA -0.159 4.144 4.350 -0.078 0.000 0.207 479 E C 0.480 177.097 176.600 0.030 0.000 1.032 479 E CA 1.816 58.225 56.400 0.015 0.000 0.839 479 E CB -0.143 29.523 29.700 -0.056 0.000 0.758 479 E HN 0.792 nan 8.360 nan 0.000 0.457 480 S N -1.848 113.837 115.700 -0.027 0.000 2.592 480 S HA 0.270 4.694 4.470 -0.078 0.000 0.275 480 S C 0.197 174.625 174.600 -0.286 0.000 1.169 480 S CA -0.673 57.446 58.200 -0.134 0.000 0.958 480 S CB 1.166 64.291 63.200 -0.125 0.000 1.095 480 S HN 0.169 nan 8.310 nan 0.000 0.471 481 L N 3.614 124.427 121.223 -0.683 0.000 1.976 481 L HA 0.060 4.354 4.340 -0.078 0.000 0.209 481 L C 2.289 178.942 176.870 -0.362 0.000 1.071 481 L CA 1.978 56.365 54.840 -0.755 0.000 0.746 481 L CB -0.888 40.366 42.059 -1.342 0.000 0.890 481 L HN 0.752 nan 8.230 nan 0.000 0.432 482 V N 0.261 119.989 119.914 -0.311 0.000 2.469 482 V HA -0.241 3.832 4.120 -0.078 0.000 0.251 482 V C 1.700 177.708 176.094 -0.144 0.000 1.064 482 V CA 1.789 63.979 62.300 -0.183 0.000 1.066 482 V CB -0.879 30.850 31.823 -0.156 0.000 0.667 482 V HN 0.515 nan 8.190 nan 0.000 0.461 483 N N -0.796 117.812 118.700 -0.153 0.000 2.235 483 N HA 0.126 4.819 4.740 -0.078 0.000 0.209 483 N C 1.630 177.067 175.510 -0.122 0.000 1.122 483 N CA 0.025 53.001 53.050 -0.123 0.000 0.845 483 N CB 0.139 38.555 38.487 -0.119 0.000 1.004 483 N HN 0.457 nan 8.380 nan 0.000 0.499 484 R N 0.612 121.041 120.500 -0.120 0.000 2.088 484 R HA -0.047 4.246 4.340 -0.078 0.000 0.232 484 R C 1.981 178.270 176.300 -0.018 0.000 1.136 484 R CA 1.062 57.091 56.100 -0.118 0.000 0.926 484 R CB -0.166 30.122 30.300 -0.021 0.000 0.837 484 R HN 0.059 nan 8.270 nan 0.000 0.429 485 R N 0.682 121.218 120.500 0.061 0.000 2.140 485 R HA -0.139 4.154 4.340 -0.078 0.000 0.250 485 R C -0.870 175.477 176.300 0.079 0.000 1.150 485 R CA 1.958 58.129 56.100 0.119 0.000 0.966 485 R CB -1.374 28.956 30.300 0.050 0.000 0.869 485 R HN 0.201 nan 8.270 nan 0.000 0.445 486 P HA -0.076 nan 4.420 nan 0.000 0.214 486 P C 1.693 178.966 177.300 -0.046 0.000 1.162 486 P CA 1.015 64.099 63.100 -0.027 0.000 0.874 486 P CB -0.317 31.348 31.700 -0.059 0.000 0.784 487 c N -1.507 117.023 118.600 -0.116 0.000 2.391 487 c HA -0.213 4.310 4.570 -0.078 0.000 0.276 487 c C 2.409 176.373 174.090 -0.210 0.000 1.217 487 c CA 1.090 57.293 56.329 -0.211 0.000 1.766 487 c CB -2.175 40.122 42.510 -0.355 0.000 2.046 487 c HN 0.061 nan 8.230 nan 0.000 0.475 488 F N 1.067 120.984 119.950 -0.055 0.000 2.163 488 F HA -0.018 4.459 4.527 -0.083 0.000 0.297 488 F C 2.795 178.521 175.800 -0.123 0.000 1.094 488 F CA 1.795 59.748 58.000 -0.078 0.000 1.290 488 F CB -1.005 37.995 39.000 0.000 0.000 1.017 488 F HN 0.112 nan 8.300 nan 0.000 0.483 489 S N -0.146 115.621 115.700 0.113 0.000 2.419 489 S HA -0.163 4.261 4.470 -0.078 0.000 0.233 489 S C 2.321 176.909 174.600 -0.020 0.000 1.016 489 S CA 0.873 59.088 58.200 0.026 0.000 0.974 489 S CB -0.585 62.634 63.200 0.033 0.000 0.786 489 S HN 0.354 nan 8.310 nan 0.000 0.492 490 A N 1.763 124.566 122.820 -0.028 0.000 1.845 490 A HA 0.065 4.338 4.320 -0.078 0.000 0.215 490 A C 0.856 178.409 177.584 -0.051 0.000 1.195 490 A CA 0.697 52.707 52.037 -0.044 0.000 0.616 490 A CB -0.951 18.014 19.000 -0.058 0.000 0.832 490 A HN 0.453 nan 8.150 nan 0.000 0.443 491 L N 0.248 121.439 121.223 -0.054 0.000 2.720 491 L HA -0.111 4.182 4.340 -0.078 0.000 0.289 491 L C 1.363 178.181 176.870 -0.087 0.000 1.232 491 L CA 0.066 54.870 54.840 -0.061 0.000 0.915 491 L CB 0.008 42.044 42.059 -0.039 0.000 1.184 491 L HN 0.544 nan 8.230 nan 0.000 0.491 492 E N 3.263 123.420 120.200 -0.073 0.000 2.118 492 E HA 0.256 4.559 4.350 -0.078 0.000 0.203 492 E C -0.678 175.875 176.600 -0.078 0.000 0.958 492 E CA 0.230 56.587 56.400 -0.073 0.000 0.957 492 E CB 0.566 30.238 29.700 -0.047 0.000 1.205 492 E HN 0.260 nan 8.360 nan 0.000 0.494 493 V N 1.387 121.270 119.914 -0.053 0.000 2.777 493 V HA 0.295 4.369 4.120 -0.078 0.000 0.306 493 V C -1.647 174.434 176.094 -0.021 0.000 1.112 493 V CA -0.899 61.375 62.300 -0.043 0.000 0.917 493 V CB 1.855 33.663 31.823 -0.026 0.000 1.018 493 V HN 0.360 nan 8.190 nan 0.000 0.426 494 D N 4.027 124.416 120.400 -0.019 0.000 2.382 494 D HA 0.108 4.701 4.640 -0.078 0.000 0.259 494 D C 0.855 177.191 176.300 0.060 0.000 1.224 494 D CA 0.460 54.469 54.000 0.015 0.000 0.894 494 D CB 1.445 42.252 40.800 0.011 0.000 1.127 494 D HN 0.724 nan 8.370 nan 0.000 0.487 495 E N 1.019 121.245 120.200 0.042 0.000 2.489 495 E HA -0.039 4.264 4.350 -0.078 0.000 0.193 495 E C 1.453 178.082 176.600 0.048 0.000 1.057 495 E CA 0.355 56.780 56.400 0.041 0.000 0.866 495 E CB 0.427 30.138 29.700 0.018 0.000 0.916 495 E HN 0.534 nan 8.360 nan 0.000 0.500 496 T N -2.327 112.268 114.554 0.068 0.000 3.023 496 T HA -0.018 4.285 4.350 -0.078 0.000 0.253 496 T C 0.416 175.171 174.700 0.092 0.000 1.038 496 T CA -0.503 61.632 62.100 0.058 0.000 0.962 496 T CB -0.261 68.636 68.868 0.047 0.000 1.018 496 T HN 0.088 nan 8.240 nan 0.000 0.521 497 Y N 3.052 123.349 120.300 -0.005 0.000 2.713 497 Y HA 0.417 4.922 4.550 -0.075 0.000 0.341 497 Y C -0.438 175.459 175.900 -0.004 0.000 1.167 497 Y CA -1.246 56.854 58.100 -0.001 0.000 1.503 497 Y CB 0.154 38.613 38.460 -0.001 0.000 1.199 497 Y HN -0.025 nan 8.280 nan 0.000 0.525 498 V N 10.557 130.197 119.914 -0.457 0.000 2.353 498 V HA 0.206 4.279 4.120 -0.078 0.000 0.264 498 V C -1.713 173.902 176.094 -0.799 0.000 1.049 498 V CA -1.841 60.179 62.300 -0.466 0.000 0.896 498 V CB 0.254 31.948 31.823 -0.215 0.000 1.025 498 V HN 0.793 nan 8.190 nan 0.000 0.475 499 P HA -0.081 nan 4.420 nan 0.000 0.272 499 P C -0.157 177.001 177.300 -0.236 0.000 1.194 499 P CA 0.434 63.206 63.100 -0.546 0.000 0.777 499 P CB 0.406 31.930 31.700 -0.293 0.000 0.814 500 K N 2.182 122.593 120.400 0.019 0.000 2.118 500 K HA 0.271 4.544 4.320 -0.078 0.000 0.264 500 K C 0.228 177.013 176.600 0.307 0.000 1.000 500 K CA -0.270 56.117 56.287 0.166 0.000 0.929 500 K CB 0.641 33.290 32.500 0.248 0.000 1.021 500 K HN 0.393 nan 8.250 nan 0.000 0.463 501 E N 1.569 121.914 120.200 0.242 0.000 2.151 501 E HA 0.149 4.452 4.350 -0.078 0.000 0.275 501 E C -0.164 176.577 176.600 0.236 0.000 0.936 501 E CA -0.857 55.714 56.400 0.284 0.000 0.777 501 E CB 0.725 30.519 29.700 0.156 0.000 1.108 501 E HN 0.343 nan 8.360 nan 0.000 0.401 502 F N 3.165 123.125 119.950 0.016 0.000 2.628 502 F HA -0.123 4.357 4.527 -0.078 0.000 0.362 502 F C 0.565 176.348 175.800 -0.030 0.000 1.106 502 F CA 1.152 59.053 58.000 -0.165 0.000 1.333 502 F CB 0.354 39.193 39.000 -0.268 0.000 0.996 502 F HN 0.371 nan 8.300 nan 0.000 0.608 503 N N 2.477 120.729 118.700 -0.747 0.000 2.494 503 N HA 0.553 5.246 4.740 -0.078 0.000 0.270 503 N C -0.283 174.836 175.510 -0.651 0.000 1.285 503 N CA -0.007 52.779 53.050 -0.439 0.000 0.812 503 N CB 1.789 40.165 38.487 -0.184 0.000 1.557 503 N HN 0.571 nan 8.380 nan 0.000 0.487 504 A N 1.150 123.813 122.820 -0.262 0.000 1.911 504 A HA 0.158 4.431 4.320 -0.078 0.000 0.212 504 A C 1.662 179.201 177.584 -0.074 0.000 1.189 504 A CA 1.611 53.553 52.037 -0.158 0.000 0.639 504 A CB -1.290 17.699 19.000 -0.018 0.000 0.839 504 A HN 0.798 nan 8.150 nan 0.000 0.449 505 E N -0.134 120.029 120.200 -0.061 0.000 2.396 505 E HA -0.124 4.179 4.350 -0.078 0.000 0.200 505 E C 1.676 178.245 176.600 -0.051 0.000 1.023 505 E CA 1.878 58.255 56.400 -0.038 0.000 0.857 505 E CB -1.430 28.251 29.700 -0.033 0.000 0.775 505 E HN 0.630 nan 8.360 nan 0.000 0.525 506 T N -0.979 113.536 114.554 -0.066 0.000 3.035 506 T HA 0.216 4.520 4.350 -0.078 0.000 0.259 506 T C 0.207 174.807 174.700 -0.167 0.000 1.078 506 T CA 0.432 62.473 62.100 -0.099 0.000 1.132 506 T CB -0.012 68.813 68.868 -0.072 0.000 0.900 506 T HN 0.432 nan 8.240 nan 0.000 0.480 507 F N 1.782 121.619 119.950 -0.188 0.000 2.818 507 F HA 0.325 4.806 4.527 -0.076 0.000 0.369 507 F C 0.521 176.312 175.800 -0.015 0.000 1.327 507 F CA -1.174 56.769 58.000 -0.095 0.000 1.211 507 F CB -0.415 38.536 39.000 -0.081 0.000 1.036 507 F HN -0.207 nan 8.300 nan 0.000 0.510 508 T N 0.646 115.260 114.554 0.099 0.000 2.765 508 T HA -0.091 4.212 4.350 -0.078 0.000 0.275 508 T C 1.108 175.879 174.700 0.118 0.000 1.007 508 T CA 1.237 63.389 62.100 0.086 0.000 1.175 508 T CB -0.183 68.710 68.868 0.041 0.000 0.993 508 T HN 0.404 nan 8.240 nan 0.000 0.510 509 F N -0.036 119.993 119.950 0.131 0.000 2.704 509 F HA 0.420 4.900 4.527 -0.078 0.000 0.304 509 F C 1.440 177.296 175.800 0.094 0.000 1.094 509 F CA -0.147 57.941 58.000 0.146 0.000 1.275 509 F CB -1.651 37.457 39.000 0.181 0.000 1.073 509 F HN 1.106 nan 8.300 nan 0.000 0.586 510 H N -0.323 118.788 119.070 0.069 0.000 3.185 510 H HA 0.285 4.794 4.556 -0.078 0.000 0.292 510 H C 1.737 177.090 175.328 0.042 0.000 0.923 510 H CA -0.111 55.965 56.048 0.048 0.000 1.364 510 H CB -0.368 29.417 29.762 0.039 0.000 1.243 510 H HN 1.535 nan 8.280 nan 0.000 0.570 511 A N 2.360 125.198 122.820 0.031 0.000 2.255 511 A HA -0.166 4.108 4.320 -0.078 0.000 0.218 511 A C 2.103 179.699 177.584 0.019 0.000 1.175 511 A CA 1.610 53.660 52.037 0.021 0.000 0.682 511 A CB -0.516 18.492 19.000 0.015 0.000 0.784 511 A HN 1.024 nan 8.150 nan 0.000 0.482 512 D N 0.536 120.950 120.400 0.024 0.000 2.411 512 D HA -0.177 4.416 4.640 -0.078 0.000 0.226 512 D C 1.117 177.430 176.300 0.022 0.000 0.988 512 D CA 1.131 55.143 54.000 0.021 0.000 0.938 512 D CB -0.864 39.950 40.800 0.023 0.000 0.883 512 D HN 0.790 nan 8.370 nan 0.000 0.525 513 I N -3.271 117.313 120.570 0.024 0.000 3.806 513 I HA 0.208 4.331 4.170 -0.078 0.000 0.321 513 I C 0.466 176.588 176.117 0.008 0.000 1.315 513 I CA -0.507 60.807 61.300 0.023 0.000 1.148 513 I CB -0.240 37.782 38.000 0.037 0.000 1.028 513 I HN -0.121 nan 8.210 nan 0.000 0.415 514 c N -0.725 117.877 118.600 0.003 0.000 3.183 514 c HA 0.206 4.729 4.570 -0.078 0.000 0.285 514 c C 2.300 176.389 174.090 -0.002 0.000 1.313 514 c CA 0.398 56.724 56.329 -0.005 0.000 1.711 514 c CB -0.798 41.707 42.510 -0.008 0.000 2.135 514 c HN 0.674 nan 8.230 nan 0.000 0.651 515 T N 1.281 115.837 114.554 0.004 0.000 2.988 515 T HA 0.162 4.465 4.350 -0.078 0.000 0.240 515 T C 0.895 175.599 174.700 0.006 0.000 1.014 515 T CA 0.148 62.251 62.100 0.006 0.000 1.155 515 T CB -0.360 68.514 68.868 0.009 0.000 0.872 515 T HN 0.543 nan 8.240 nan 0.000 0.440 516 L N 3.360 124.589 121.223 0.009 0.000 2.613 516 L HA 0.176 4.469 4.340 -0.078 0.000 0.304 516 L C 0.655 177.528 176.870 0.005 0.000 1.266 516 L CA -0.218 54.628 54.840 0.011 0.000 0.868 516 L CB -0.591 41.477 42.059 0.016 0.000 1.111 516 L HN 0.438 nan 8.230 nan 0.000 0.515 517 S N 1.343 117.046 115.700 0.006 0.000 2.592 517 S HA -0.064 4.360 4.470 -0.078 0.000 0.256 517 S C 0.967 175.563 174.600 -0.006 0.000 1.369 517 S CA 0.464 58.665 58.200 0.001 0.000 0.984 517 S CB 0.829 64.032 63.200 0.005 0.000 0.919 517 S HN 0.958 nan 8.310 nan 0.000 0.576 518 E N 1.112 121.304 120.200 -0.014 0.000 2.051 518 E HA -0.194 4.110 4.350 -0.078 0.000 0.192 518 E C 2.381 178.960 176.600 -0.035 0.000 0.991 518 E CA 1.555 57.936 56.400 -0.031 0.000 0.799 518 E CB -0.759 28.917 29.700 -0.040 0.000 0.748 518 E HN 0.809 nan 8.360 nan 0.000 0.449 519 K N 0.455 120.843 120.400 -0.021 0.000 2.103 519 K HA -0.163 4.110 4.320 -0.078 0.000 0.207 519 K C 2.147 178.750 176.600 0.006 0.000 1.048 519 K CA 2.119 58.400 56.287 -0.010 0.000 0.930 519 K CB -1.732 30.773 32.500 0.007 0.000 0.716 519 K HN 0.512 nan 8.250 nan 0.000 0.444 520 E N 1.358 121.563 120.200 0.009 0.000 2.265 520 E HA -0.185 4.118 4.350 -0.078 0.000 0.196 520 E C 2.208 178.823 176.600 0.026 0.000 0.996 520 E CA 1.316 57.727 56.400 0.019 0.000 0.832 520 E CB -0.473 29.237 29.700 0.017 0.000 0.756 520 E HN 0.789 nan 8.360 nan 0.000 0.491 521 R N -0.604 119.904 120.500 0.014 0.000 2.051 521 R HA -0.016 4.277 4.340 -0.078 0.000 0.225 521 R C 2.837 179.163 176.300 0.044 0.000 1.155 521 R CA 1.218 57.333 56.100 0.025 0.000 0.945 521 R CB -0.280 30.016 30.300 -0.006 0.000 0.840 521 R HN 0.447 nan 8.270 nan 0.000 0.432 522 Q N 0.746 120.545 119.800 -0.002 0.000 2.118 522 Q HA -0.210 4.084 4.340 -0.078 0.000 0.211 522 Q C 2.132 178.209 176.000 0.129 0.000 0.998 522 Q CA 1.758 57.577 55.803 0.026 0.000 0.872 522 Q CB -0.315 28.371 28.738 -0.087 0.000 0.925 522 Q HN 0.398 nan 8.270 nan 0.000 0.414 523 I N 0.368 120.989 120.570 0.085 0.000 2.567 523 I HA -0.255 3.868 4.170 -0.078 0.000 0.257 523 I C 2.069 178.227 176.117 0.068 0.000 1.184 523 I CA 0.825 62.171 61.300 0.076 0.000 1.451 523 I CB -0.211 37.817 38.000 0.047 0.000 1.089 523 I HN 0.117 nan 8.210 nan 0.000 0.441 524 K N 0.485 120.938 120.400 0.088 0.000 2.128 524 K HA -0.018 4.256 4.320 -0.078 0.000 0.202 524 K C 2.249 178.941 176.600 0.153 0.000 1.050 524 K CA 0.545 56.894 56.287 0.104 0.000 0.966 524 K CB -0.231 32.348 32.500 0.131 0.000 0.759 524 K HN 0.002 nan 8.250 nan 0.000 0.454 525 K N 1.180 121.707 120.400 0.210 0.000 2.280 525 K HA -0.100 4.173 4.320 -0.078 0.000 0.202 525 K C 2.190 178.889 176.600 0.164 0.000 1.047 525 K CA 1.176 57.626 56.287 0.273 0.000 0.942 525 K CB -0.069 32.604 32.500 0.288 0.000 0.739 525 K HN 0.320 nan 8.250 nan 0.000 0.457 526 Q N -1.046 118.833 119.800 0.132 0.000 2.089 526 Q HA -0.022 4.271 4.340 -0.078 0.000 0.195 526 Q C 2.267 178.265 176.000 -0.003 0.000 0.963 526 Q CA 1.816 57.662 55.803 0.072 0.000 0.834 526 Q CB 0.003 28.792 28.738 0.084 0.000 0.906 526 Q HN 0.410 nan 8.270 nan 0.000 0.452 527 T N 0.802 115.342 114.554 -0.022 0.000 2.803 527 T HA -0.205 4.098 4.350 -0.078 0.000 0.269 527 T C 1.660 176.268 174.700 -0.153 0.000 1.052 527 T CA 1.090 63.139 62.100 -0.086 0.000 1.136 527 T CB -0.268 68.542 68.868 -0.096 0.000 0.864 527 T HN 0.381 nan 8.240 nan 0.000 0.467 528 A N 1.703 124.430 122.820 -0.154 0.000 1.832 528 A HA 0.024 4.297 4.320 -0.078 0.000 0.214 528 A C 2.199 179.716 177.584 -0.112 0.000 1.200 528 A CA 1.265 53.160 52.037 -0.236 0.000 0.610 528 A CB -1.053 17.704 19.000 -0.404 0.000 0.842 528 A HN 0.388 nan 8.150 nan 0.000 0.444 529 L N 0.195 121.385 121.223 -0.055 0.000 2.123 529 L HA -0.204 4.089 4.340 -0.078 0.000 0.217 529 L C 2.342 179.205 176.870 -0.012 0.000 1.081 529 L CA 2.197 57.029 54.840 -0.013 0.000 0.772 529 L CB -0.691 41.364 42.059 -0.006 0.000 0.890 529 L HN 0.175 nan 8.230 nan 0.000 0.437 530 V N -0.732 119.159 119.914 -0.039 0.000 2.323 530 V HA -0.188 3.885 4.120 -0.078 0.000 0.244 530 V C 2.603 178.686 176.094 -0.018 0.000 1.041 530 V CA 1.675 63.952 62.300 -0.038 0.000 1.025 530 V CB -0.594 31.192 31.823 -0.061 0.000 0.656 530 V HN 0.417 nan 8.190 nan 0.000 0.451 531 E N 0.183 120.346 120.200 -0.061 0.000 2.160 531 E HA -0.199 4.104 4.350 -0.078 0.000 0.195 531 E C 2.239 178.937 176.600 0.163 0.000 0.991 531 E CA 1.667 58.046 56.400 -0.034 0.000 0.810 531 E CB -0.580 28.923 29.700 -0.329 0.000 0.742 531 E HN 0.586 nan 8.360 nan 0.000 0.466 532 L N 0.423 121.741 121.223 0.158 0.000 1.961 532 L HA -0.140 4.153 4.340 -0.078 0.000 0.209 532 L C 2.911 179.901 176.870 0.199 0.000 1.075 532 L CA 2.204 57.171 54.840 0.212 0.000 0.749 532 L CB -1.736 40.403 42.059 0.133 0.000 0.890 532 L HN 0.097 nan 8.230 nan 0.000 0.433 533 V N -0.455 119.529 119.914 0.116 0.000 2.370 533 V HA -0.366 3.707 4.120 -0.078 0.000 0.252 533 V C 2.700 178.874 176.094 0.132 0.000 1.068 533 V CA 2.343 64.699 62.300 0.094 0.000 1.061 533 V CB -1.164 30.681 31.823 0.037 0.000 0.656 533 V HN 0.725 nan 8.190 nan 0.000 0.455 534 K N -0.771 119.713 120.400 0.140 0.000 2.209 534 K HA -0.208 4.065 4.320 -0.078 0.000 0.204 534 K C 2.146 178.959 176.600 0.354 0.000 1.048 534 K CA 1.635 58.041 56.287 0.198 0.000 0.940 534 K CB -0.181 32.398 32.500 0.131 0.000 0.729 534 K HN 0.628 nan 8.250 nan 0.000 0.451 535 H N -0.367 118.819 119.070 0.194 0.000 2.547 535 H HA 0.098 4.607 4.556 -0.078 0.000 0.272 535 H C 0.027 175.433 175.328 0.130 0.000 0.971 535 H CA 1.186 57.339 56.048 0.174 0.000 1.245 535 H CB 0.576 30.457 29.762 0.199 0.000 1.440 535 H HN -0.033 nan 8.280 nan 0.000 0.540 536 K N 0.496 120.949 120.400 0.089 0.000 2.992 536 K HA 0.302 4.576 4.320 -0.078 0.000 0.178 536 K C -2.631 174.005 176.600 0.060 0.000 1.122 536 K CA -1.067 55.225 56.287 0.009 0.000 0.926 536 K CB 0.182 32.698 32.500 0.028 0.000 1.121 536 K HN 0.142 nan 8.250 nan 0.000 0.610 537 P HA -0.194 nan 4.420 nan 0.000 0.213 537 P C 2.070 179.400 177.300 0.049 0.000 1.170 537 P CA 2.445 65.604 63.100 0.098 0.000 0.898 537 P CB 0.240 32.049 31.700 0.182 0.000 0.787 538 K N -0.163 120.258 120.400 0.035 0.000 2.362 538 K HA 0.020 4.293 4.320 -0.078 0.000 0.202 538 K C 1.318 177.924 176.600 0.010 0.000 1.045 538 K CA 1.374 57.670 56.287 0.014 0.000 0.936 538 K CB -1.785 30.714 32.500 -0.001 0.000 0.747 538 K HN 0.401 nan 8.250 nan 0.000 0.467 539 A N 1.005 123.833 122.820 0.015 0.000 2.504 539 A HA 0.409 4.683 4.320 -0.078 0.000 0.242 539 A C 0.919 178.512 177.584 0.014 0.000 1.100 539 A CA 0.704 52.751 52.037 0.016 0.000 0.786 539 A CB -0.205 18.813 19.000 0.030 0.000 1.050 539 A HN 0.941 nan 8.150 nan 0.000 0.512 540 T N -3.493 111.070 114.554 0.014 0.000 2.942 540 T HA 0.656 4.959 4.350 -0.078 0.000 0.289 540 T C 0.726 175.433 174.700 0.012 0.000 1.044 540 T CA 0.023 62.129 62.100 0.010 0.000 1.023 540 T CB 1.526 70.398 68.868 0.008 0.000 1.123 540 T HN 1.095 nan 8.240 nan 0.000 0.512 541 K N -0.623 119.782 120.400 0.008 0.000 2.574 541 K HA 0.314 4.587 4.320 -0.078 0.000 0.193 541 K C 1.874 178.481 176.600 0.012 0.000 1.035 541 K CA 1.504 57.795 56.287 0.008 0.000 0.982 541 K CB -1.624 30.878 32.500 0.004 0.000 0.795 541 K HN 0.924 nan 8.250 nan 0.000 0.491 542 E N 0.543 120.751 120.200 0.013 0.000 2.152 542 E HA -0.074 4.229 4.350 -0.078 0.000 0.195 542 E C 2.127 178.738 176.600 0.018 0.000 0.934 542 E CA 0.751 57.160 56.400 0.014 0.000 0.869 542 E CB -0.484 29.223 29.700 0.012 0.000 0.842 542 E HN 0.780 nan 8.360 nan 0.000 0.472 543 Q N -0.175 119.636 119.800 0.018 0.000 2.084 543 Q HA -0.088 4.205 4.340 -0.078 0.000 0.202 543 Q C 2.329 178.346 176.000 0.029 0.000 0.978 543 Q CA 1.340 57.156 55.803 0.021 0.000 0.844 543 Q CB -0.329 28.421 28.738 0.019 0.000 0.898 543 Q HN 0.370 nan 8.270 nan 0.000 0.426 544 L N 1.697 122.938 121.223 0.030 0.000 1.965 544 L HA -0.336 3.957 4.340 -0.078 0.000 0.226 544 L C 2.704 179.600 176.870 0.044 0.000 1.083 544 L CA 3.028 57.890 54.840 0.037 0.000 0.790 544 L CB -1.039 41.037 42.059 0.028 0.000 0.898 544 L HN 0.274 nan 8.230 nan 0.000 0.439 545 K N -0.967 119.456 120.400 0.038 0.000 2.360 545 K HA -0.023 4.251 4.320 -0.078 0.000 0.201 545 K C 2.033 178.666 176.600 0.055 0.000 1.046 545 K CA 1.640 57.956 56.287 0.047 0.000 0.940 545 K CB -1.528 30.994 32.500 0.037 0.000 0.748 545 K HN 0.656 nan 8.250 nan 0.000 0.465 546 A N 0.273 123.121 122.820 0.047 0.000 1.929 546 A HA 0.111 4.384 4.320 -0.078 0.000 0.216 546 A C 2.538 180.156 177.584 0.057 0.000 1.176 546 A CA 1.574 53.638 52.037 0.045 0.000 0.628 546 A CB -0.115 18.904 19.000 0.033 0.000 0.816 546 A HN 0.299 nan 8.150 nan 0.000 0.444 547 V N -0.798 119.155 119.914 0.064 0.000 2.346 547 V HA -0.195 3.879 4.120 -0.078 0.000 0.244 547 V C 2.481 178.650 176.094 0.125 0.000 1.037 547 V CA 1.961 64.308 62.300 0.077 0.000 1.029 547 V CB -0.610 31.252 31.823 0.065 0.000 0.663 547 V HN 0.591 nan 8.190 nan 0.000 0.454 548 M N 0.601 120.274 119.600 0.122 0.000 2.143 548 M HA -0.232 4.201 4.480 -0.078 0.000 0.258 548 M C 1.657 178.079 176.300 0.204 0.000 1.071 548 M CA 1.822 57.223 55.300 0.169 0.000 1.088 548 M CB -0.855 31.819 32.600 0.123 0.000 1.360 548 M HN 0.288 nan 8.290 nan 0.000 0.404 549 D N -0.042 120.440 120.400 0.137 0.000 2.149 549 D HA -0.061 4.532 4.640 -0.078 0.000 0.201 549 D C 1.792 178.152 176.300 0.099 0.000 0.972 549 D CA 1.632 55.697 54.000 0.108 0.000 0.835 549 D CB -0.257 40.587 40.800 0.073 0.000 0.966 549 D HN 0.657 nan 8.370 nan 0.000 0.476 550 D N 0.108 120.572 120.400 0.107 0.000 2.097 550 D HA -0.190 4.403 4.640 -0.078 0.000 0.197 550 D C 1.896 178.267 176.300 0.119 0.000 0.984 550 D CA 0.864 54.916 54.000 0.087 0.000 0.826 550 D CB -1.042 39.804 40.800 0.075 0.000 0.973 550 D HN 0.217 nan 8.370 nan 0.000 0.460 551 F N 1.479 121.453 119.950 0.041 0.000 2.154 551 F HA 0.048 4.528 4.527 -0.078 0.000 0.301 551 F C 2.643 178.477 175.800 0.056 0.000 1.087 551 F CA 1.665 59.699 58.000 0.057 0.000 1.274 551 F CB -0.378 38.676 39.000 0.091 0.000 1.009 551 F HN 0.232 nan 8.300 nan 0.000 0.485 552 A N 0.266 123.070 122.820 -0.027 0.000 1.969 552 A HA 0.014 4.287 4.320 -0.078 0.000 0.218 552 A C 2.414 179.906 177.584 -0.155 0.000 1.169 552 A CA 1.578 53.534 52.037 -0.135 0.000 0.635 552 A CB -1.448 17.566 19.000 0.024 0.000 0.810 552 A HN 0.511 nan 8.150 nan 0.000 0.445 553 A N -1.186 121.583 122.820 -0.085 0.000 1.897 553 A HA 0.210 4.483 4.320 -0.078 0.000 0.215 553 A C 2.364 179.890 177.584 -0.097 0.000 1.181 553 A CA 1.838 53.835 52.037 -0.067 0.000 0.620 553 A CB -1.249 17.736 19.000 -0.025 0.000 0.821 553 A HN 1.129 nan 8.150 nan 0.000 0.443 554 F N -0.147 119.731 119.950 -0.119 0.000 2.065 554 F HA -0.119 4.361 4.527 -0.078 0.000 0.298 554 F C 2.626 178.333 175.800 -0.156 0.000 1.112 554 F CA 2.358 60.291 58.000 -0.112 0.000 1.212 554 F CB -1.445 37.502 39.000 -0.088 0.000 0.975 554 F HN 0.124 nan 8.300 nan 0.000 0.476 555 V N -0.162 119.580 119.914 -0.287 0.000 2.220 555 V HA -0.340 3.733 4.120 -0.078 0.000 0.246 555 V C 2.311 178.322 176.094 -0.137 0.000 1.049 555 V CA 2.383 64.539 62.300 -0.240 0.000 1.003 555 V CB -1.192 30.424 31.823 -0.346 0.000 0.634 555 V HN 0.748 nan 8.190 nan 0.000 0.444 556 E N 0.090 120.213 120.200 -0.129 0.000 2.169 556 E HA -0.300 4.004 4.350 -0.078 0.000 0.202 556 E C 2.036 178.602 176.600 -0.058 0.000 1.016 556 E CA 1.838 58.191 56.400 -0.078 0.000 0.817 556 E CB -0.011 29.650 29.700 -0.065 0.000 0.736 556 E HN 0.646 nan 8.360 nan 0.000 0.462 557 K N -0.004 120.360 120.400 -0.061 0.000 1.997 557 K HA -0.110 4.163 4.320 -0.078 0.000 0.219 557 K C 2.265 178.844 176.600 -0.035 0.000 1.023 557 K CA 1.073 57.336 56.287 -0.041 0.000 1.003 557 K CB -0.741 31.737 32.500 -0.037 0.000 0.842 557 K HN 0.215 nan 8.250 nan 0.000 0.445 558 c N 1.263 119.842 118.600 -0.034 0.000 2.316 558 c HA -0.307 4.217 4.570 -0.078 0.000 0.261 558 c C 2.998 177.075 174.090 -0.022 0.000 1.098 558 c CA 0.756 57.071 56.329 -0.023 0.000 1.829 558 c CB -1.281 41.216 42.510 -0.021 0.000 2.062 558 c HN 0.673 nan 8.230 nan 0.000 0.428 559 c N 0.181 118.762 118.600 -0.032 0.000 2.401 559 c HA -0.036 4.488 4.570 -0.078 0.000 0.286 559 c C 2.482 176.561 174.090 -0.019 0.000 1.332 559 c CA 2.034 58.347 56.329 -0.025 0.000 1.795 559 c CB -1.369 41.119 42.510 -0.037 0.000 1.922 559 c HN 0.816 nan 8.230 nan 0.000 0.520 560 K N -1.596 118.792 120.400 -0.020 0.000 2.564 560 K HA 0.687 4.960 4.320 -0.078 0.000 0.201 560 K C 0.051 176.644 176.600 -0.013 0.000 1.086 560 K CA 0.639 56.917 56.287 -0.015 0.000 1.062 560 K CB -0.127 32.363 32.500 -0.017 0.000 0.849 560 K HN 0.403 nan 8.250 nan 0.000 0.529 561 A N 2.248 125.061 122.820 -0.013 0.000 2.269 561 A HA 0.517 4.790 4.320 -0.078 0.000 0.302 561 A C -0.657 176.923 177.584 -0.006 0.000 1.266 561 A CA -0.458 51.574 52.037 -0.010 0.000 0.894 561 A CB -0.140 18.854 19.000 -0.010 0.000 1.147 561 A HN 0.432 nan 8.150 nan 0.000 0.537 562 D N 1.923 122.320 120.400 -0.004 0.000 2.694 562 D HA 0.142 4.735 4.640 -0.078 0.000 0.223 562 D C 1.147 177.447 176.300 -0.001 0.000 1.158 562 D CA 2.097 56.096 54.000 -0.002 0.000 0.859 562 D CB 0.016 40.816 40.800 -0.001 0.000 1.210 562 D HN 0.916 nan 8.370 nan 0.000 0.506 563 D N 2.071 122.472 120.400 0.001 0.000 5.309 563 D HA -0.222 4.372 4.640 -0.078 0.000 0.182 563 D C 0.082 176.384 176.300 0.004 0.000 1.247 563 D CA 1.059 55.060 54.000 0.003 0.000 0.736 563 D CB -1.137 39.665 40.800 0.003 0.000 1.212 563 D HN 0.294 nan 8.370 nan 0.000 0.637 564 K N 0.130 120.532 120.400 0.003 0.000 2.604 564 K HA 0.594 4.867 4.320 -0.078 0.000 0.247 564 K C 0.830 177.435 176.600 0.008 0.000 0.956 564 K CA 0.191 56.480 56.287 0.005 0.000 0.896 564 K CB 1.865 34.367 32.500 0.002 0.000 1.131 564 K HN 0.395 nan 8.250 nan 0.000 0.440 565 E N 0.939 121.146 120.200 0.012 0.000 2.562 565 E HA -0.035 4.268 4.350 -0.078 0.000 0.214 565 E C 1.173 177.786 176.600 0.020 0.000 0.979 565 E CA 0.569 56.979 56.400 0.017 0.000 1.002 565 E CB 0.503 30.213 29.700 0.017 0.000 1.048 565 E HN 0.647 nan 8.360 nan 0.000 0.488 566 T N -3.826 110.738 114.554 0.017 0.000 3.015 566 T HA -0.039 4.264 4.350 -0.078 0.000 0.250 566 T C 2.127 176.838 174.700 0.018 0.000 1.057 566 T CA 0.883 62.994 62.100 0.018 0.000 1.066 566 T CB -0.636 68.241 68.868 0.014 0.000 0.959 566 T HN 0.444 nan 8.240 nan 0.000 0.488 567 c N 1.303 119.911 118.600 0.013 0.000 2.396 567 c HA -0.101 4.422 4.570 -0.078 0.000 0.277 567 c C 2.819 176.920 174.090 0.018 0.000 1.231 567 c CA 1.598 57.933 56.329 0.010 0.000 1.775 567 c CB -1.997 40.515 42.510 0.003 0.000 2.036 567 c HN 0.621 nan 8.230 nan 0.000 0.484 568 F N 0.097 120.063 119.950 0.026 0.000 2.192 568 F HA 0.158 4.638 4.527 -0.078 0.000 0.301 568 F C 2.433 178.265 175.800 0.053 0.000 1.079 568 F CA 2.084 60.111 58.000 0.046 0.000 1.303 568 F CB -1.363 37.669 39.000 0.052 0.000 1.024 568 F HN 0.603 nan 8.300 nan 0.000 0.494 569 A N -0.428 122.416 122.820 0.040 0.000 1.956 569 A HA 0.432 4.705 4.320 -0.078 0.000 0.212 569 A C 1.453 179.054 177.584 0.028 0.000 1.188 569 A CA 1.230 53.291 52.037 0.040 0.000 0.675 569 A CB -1.157 17.863 19.000 0.034 0.000 0.845 569 A HN 0.972 nan 8.150 nan 0.000 0.455 570 E N 0.000 120.212 120.200 0.020 0.000 2.725 570 E HA 0.000 4.303 4.350 -0.078 0.000 0.291 570 E CA 0.000 56.407 56.400 0.011 0.000 0.976 570 E CB 0.000 29.705 29.700 0.008 0.000 0.812 570 E HN 0.000 nan 8.360 nan 0.000 0.440