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 1hk2_1_A DATA FIRST_RESID 5 DATA SEQUENCE SEVAHRFKDL GEENFKALVL IAFAQYLQQC PFEDHVKLVN EVTEFAKTcV DATA SEQUENCE ADESAENcDK SLHTLFGDKL cTXXXXXXXX XXXXDccAKQ EPERNEcFLQ DATA SEQUENCE HKDDNPNLPR LVRPEVDVMc TAFHDNEETF LKKYLYEIAR RHPYFYAPEL DATA SEQUENCE LFFAKRYKAA FTEccQAADK AAcLLPKLDE LRDEGKASSA KQRLKcASLQ DATA SEQUENCE KFGERAFKAW AVAHLSQRFP KAEFAEVSKL VTDLTKVHTE ccHGDLLEcA DATA SEQUENCE DDRADLAKYI cENQDSISSK LKEccEKPLL EKSHcIAEVE NDEMPADLPS DATA SEQUENCE LAADFVESKD VcKNYAEAKD VFLGMFLYEY ARRHPDYSVV LLLRLAKTYE DATA SEQUENCE TTLEKccAAA DPHEcYAKVF DEFKPLVEEP QNLIKQNcEL FEQLGEYKFQ DATA SEQUENCE NALLVRYTKK VPQVSTPTLV EVSRNLGKVG SKccKHPEAK RMPcAEDYLS DATA SEQUENCE VVLNQLcVLH EKTPVSDRVT KccTESLVNR RPcFSALEVD ETYVPKEFNA DATA SEQUENCE ETFTFHADIc TLSEKERQIK KQTALVELVK HKPKATKEQL KAVMDDFAAF DATA SEQUENCE VEKccKADDK ETcFAEEGKK LV 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 0.000 174.681 174.600 0.135 0.000 1.055 5 S CA 0.000 58.253 58.200 0.089 0.000 1.107 5 S CB 0.000 63.245 63.200 0.075 0.000 0.593 6 E N 3.182 123.474 120.200 0.153 0.000 2.112 6 E HA 0.013 4.372 4.350 0.015 0.000 0.190 6 E C 1.764 178.508 176.600 0.240 0.000 0.979 6 E CA 1.960 58.480 56.400 0.200 0.000 0.814 6 E CB -0.185 29.600 29.700 0.141 0.000 0.762 6 E HN 0.554 nan 8.360 nan 0.000 0.460 7 V N 1.178 121.240 119.914 0.248 0.000 2.252 7 V HA -0.317 3.812 4.120 0.015 0.000 0.249 7 V C 2.432 178.697 176.094 0.285 0.000 1.056 7 V CA 2.131 64.627 62.300 0.327 0.000 1.022 7 V CB -1.330 30.713 31.823 0.367 0.000 0.641 7 V HN 0.402 nan 8.190 nan 0.000 0.445 8 A N -0.188 122.745 122.820 0.188 0.000 1.877 8 A HA -0.300 4.029 4.320 0.015 0.000 0.216 8 A C 2.175 179.887 177.584 0.214 0.000 1.186 8 A CA 2.283 54.401 52.037 0.136 0.000 0.620 8 A CB -0.941 18.092 19.000 0.055 0.000 0.822 8 A HN 0.773 nan 8.150 nan 0.000 0.443 9 H N 0.213 119.354 119.070 0.118 0.000 2.289 9 H HA -0.167 4.404 4.556 0.026 0.000 0.294 9 H C 2.131 177.538 175.328 0.132 0.000 1.095 9 H CA 2.433 58.542 56.048 0.103 0.000 1.256 9 H CB -0.092 29.717 29.762 0.079 0.000 1.359 9 H HN 0.287 nan 8.280 nan 0.000 0.487 10 R N -0.543 119.919 120.500 -0.063 0.000 2.066 10 R HA -0.105 4.245 4.340 0.015 0.000 0.232 10 R C 2.522 178.890 176.300 0.113 0.000 1.131 10 R CA 1.199 57.258 56.100 -0.068 0.000 0.955 10 R CB -1.511 28.850 30.300 0.101 0.000 0.851 10 R HN 0.396 nan 8.270 nan 0.000 0.432 11 F N 2.440 122.434 119.950 0.073 0.000 2.120 11 F HA -0.225 4.327 4.527 0.042 0.000 0.300 11 F C 2.032 177.802 175.800 -0.050 0.000 1.095 11 F CA 1.694 59.647 58.000 -0.080 0.000 1.249 11 F CB -0.019 38.771 39.000 -0.351 0.000 0.995 11 F HN -0.066 nan 8.300 nan 0.000 0.480 12 K N -0.220 120.311 120.400 0.218 0.000 2.057 12 K HA -0.175 4.154 4.320 0.015 0.000 0.207 12 K C 1.749 178.369 176.600 0.033 0.000 1.049 12 K CA 1.658 58.030 56.287 0.143 0.000 0.931 12 K CB -0.350 32.237 32.500 0.146 0.000 0.714 12 K HN 0.300 nan 8.250 nan 0.000 0.440 13 D N 0.764 121.157 120.400 -0.010 0.000 2.123 13 D HA -0.081 4.568 4.640 0.015 0.000 0.200 13 D C 1.841 178.111 176.300 -0.050 0.000 0.976 13 D CA 1.070 55.049 54.000 -0.036 0.000 0.831 13 D CB 0.052 40.797 40.800 -0.092 0.000 0.974 13 D HN 0.169 nan 8.370 nan 0.000 0.469 14 L N -0.278 120.902 121.223 -0.073 0.000 2.529 14 L HA 0.270 4.619 4.340 0.015 0.000 0.223 14 L C 1.076 177.868 176.870 -0.131 0.000 1.113 14 L CA 0.080 54.874 54.840 -0.077 0.000 0.861 14 L CB -0.164 41.868 42.059 -0.045 0.000 1.012 14 L HN 0.002 nan 8.230 nan 0.000 0.461 15 G N 0.921 109.578 108.800 -0.238 0.000 2.755 15 G HA2 -0.260 3.709 3.960 0.015 0.000 0.686 15 G HA3 -0.260 3.709 3.960 0.015 0.000 0.686 15 G C 0.313 174.883 174.900 -0.550 0.000 1.427 15 G CA 0.103 45.013 45.100 -0.317 0.000 0.873 15 G HN 0.279 nan 8.290 nan 0.000 0.580 16 E N -0.122 119.712 120.200 -0.610 0.000 2.051 16 E HA -0.182 4.177 4.350 0.015 0.000 0.192 16 E C 2.064 178.588 176.600 -0.126 0.000 0.991 16 E CA 1.689 57.778 56.400 -0.519 0.000 0.799 16 E CB -0.069 29.604 29.700 -0.046 0.000 0.748 16 E HN 0.687 nan 8.360 nan 0.000 0.449 17 E N 0.239 120.398 120.200 -0.068 0.000 2.013 17 E HA -0.255 4.104 4.350 0.015 0.000 0.202 17 E C 1.992 178.591 176.600 -0.003 0.000 1.018 17 E CA 1.736 58.132 56.400 -0.006 0.000 0.834 17 E CB -0.082 29.616 29.700 -0.002 0.000 0.770 17 E HN 0.244 nan 8.360 nan 0.000 0.459 18 N N -0.003 118.681 118.700 -0.027 0.000 2.149 18 N HA -0.190 4.560 4.740 0.015 0.000 0.188 18 N C 1.769 177.256 175.510 -0.038 0.000 1.019 18 N CA 1.219 54.251 53.050 -0.030 0.000 0.857 18 N CB -0.543 37.921 38.487 -0.038 0.000 0.997 18 N HN 0.243 nan 8.380 nan 0.000 0.426 19 F N 2.395 122.224 119.950 -0.202 0.000 2.095 19 F HA -0.132 4.401 4.527 0.010 0.000 0.298 19 F C 2.067 177.790 175.800 -0.128 0.000 1.104 19 F CA 1.455 59.339 58.000 -0.193 0.000 1.232 19 F CB -0.082 38.703 39.000 -0.358 0.000 0.987 19 F HN -0.102 nan 8.300 nan 0.000 0.475 20 K N 0.227 120.731 120.400 0.173 0.000 2.097 20 K HA -0.093 4.236 4.320 0.015 0.000 0.206 20 K C 2.324 178.866 176.600 -0.096 0.000 1.049 20 K CA 1.102 57.433 56.287 0.074 0.000 0.933 20 K CB -0.534 32.040 32.500 0.122 0.000 0.717 20 K HN 0.373 nan 8.250 nan 0.000 0.442 21 A N 1.746 124.520 122.820 -0.076 0.000 1.855 21 A HA -0.113 4.216 4.320 0.015 0.000 0.215 21 A C 2.181 179.665 177.584 -0.167 0.000 1.191 21 A CA 1.117 53.104 52.037 -0.084 0.000 0.613 21 A CB -0.739 18.238 19.000 -0.037 0.000 0.829 21 A HN 0.129 nan 8.150 nan 0.000 0.442 22 L N -0.264 120.836 121.223 -0.204 0.000 2.043 22 L HA -0.208 4.142 4.340 0.015 0.000 0.212 22 L C 2.515 179.183 176.870 -0.338 0.000 1.075 22 L CA 1.351 56.044 54.840 -0.244 0.000 0.752 22 L CB -0.621 41.292 42.059 -0.243 0.000 0.891 22 L HN 0.262 nan 8.230 nan 0.000 0.432 23 V N -0.327 119.282 119.914 -0.508 0.000 2.515 23 V HA -0.265 3.864 4.120 0.015 0.000 0.250 23 V C 2.323 177.953 176.094 -0.774 0.000 1.058 23 V CA 1.439 63.308 62.300 -0.719 0.000 1.064 23 V CB -0.385 30.858 31.823 -0.967 0.000 0.675 23 V HN 0.324 nan 8.190 nan 0.000 0.461 24 L N 0.171 121.113 121.223 -0.468 0.000 2.017 24 L HA -0.128 4.221 4.340 0.015 0.000 0.208 24 L C 2.190 178.918 176.870 -0.236 0.000 1.073 24 L CA 1.935 56.596 54.840 -0.299 0.000 0.745 24 L CB -0.488 41.502 42.059 -0.115 0.000 0.894 24 L HN 0.216 nan 8.230 nan 0.000 0.432 25 I N -0.293 120.150 120.570 -0.213 0.000 2.163 25 I HA -0.322 3.857 4.170 0.015 0.000 0.243 25 I C 2.642 178.643 176.117 -0.194 0.000 1.085 25 I CA 1.228 62.419 61.300 -0.182 0.000 1.347 25 I CB -0.798 37.099 38.000 -0.172 0.000 1.044 25 I HN 0.384 nan 8.210 nan 0.000 0.408 26 A N 1.150 123.835 122.820 -0.226 0.000 1.892 26 A HA -0.228 4.101 4.320 0.015 0.000 0.218 26 A C 2.118 179.702 177.584 0.000 0.000 1.188 26 A CA 1.822 53.749 52.037 -0.184 0.000 0.631 26 A CB -0.855 18.098 19.000 -0.078 0.000 0.822 26 A HN 0.342 nan 8.150 nan 0.000 0.447 27 F N -0.244 119.612 119.950 -0.155 0.000 2.163 27 F HA 0.042 4.587 4.527 0.030 0.000 0.297 27 F C 2.870 178.476 175.800 -0.323 0.000 1.094 27 F CA 0.187 58.108 58.000 -0.132 0.000 1.290 27 F CB -1.365 37.577 39.000 -0.096 0.000 1.017 27 F HN 0.289 nan 8.300 nan 0.000 0.483 28 A N -0.344 122.317 122.820 -0.264 0.000 1.972 28 A HA -0.198 4.131 4.320 0.015 0.000 0.219 28 A C 2.120 179.650 177.584 -0.091 0.000 1.169 28 A CA 1.394 53.273 52.037 -0.263 0.000 0.635 28 A CB -0.732 18.169 19.000 -0.165 0.000 0.810 28 A HN 0.459 nan 8.150 nan 0.000 0.446 29 Q N -2.207 117.532 119.800 -0.101 0.000 2.311 29 Q HA -0.065 4.284 4.340 0.015 0.000 0.203 29 Q C 1.459 177.468 176.000 0.015 0.000 0.954 29 Q CA 0.893 56.634 55.803 -0.104 0.000 0.885 29 Q CB -0.068 28.536 28.738 -0.224 0.000 0.963 29 Q HN 0.797 nan 8.270 nan 0.000 0.471 30 Y N -0.120 120.206 120.300 0.042 0.000 2.347 30 Y HA 0.129 4.693 4.550 0.025 0.000 0.294 30 Y C 0.766 176.762 175.900 0.162 0.000 1.117 30 Y CA 0.383 58.532 58.100 0.083 0.000 1.184 30 Y CB 0.615 39.056 38.460 -0.031 0.000 1.047 30 Y HN -0.070 nan 8.280 nan 0.000 0.546 31 L N 0.911 122.339 121.223 0.342 0.000 2.433 31 L HA 0.278 4.627 4.340 0.015 0.000 0.256 31 L C 0.588 177.650 176.870 0.320 0.000 1.063 31 L CA -0.141 54.896 54.840 0.328 0.000 0.922 31 L CB 1.415 43.686 42.059 0.354 0.000 1.238 31 L HN -0.002 nan 8.230 nan 0.000 0.466 32 Q N -0.530 119.391 119.800 0.201 0.000 2.297 32 Q HA -0.131 4.218 4.340 0.015 0.000 0.204 32 Q C 1.810 177.889 176.000 0.132 0.000 0.962 32 Q CA 1.007 56.883 55.803 0.121 0.000 0.879 32 Q CB 0.238 29.010 28.738 0.057 0.000 0.947 32 Q HN 0.587 nan 8.270 nan 0.000 0.462 33 Q N -0.740 119.154 119.800 0.156 0.000 2.297 33 Q HA 0.040 4.390 4.340 0.015 0.000 0.203 33 Q C 1.104 177.204 176.000 0.166 0.000 0.931 33 Q CA 0.161 56.042 55.803 0.131 0.000 0.885 33 Q CB -0.150 28.642 28.738 0.091 0.000 0.991 33 Q HN 0.492 nan 8.270 nan 0.000 0.498 34 C N 2.524 121.929 119.300 0.175 0.000 2.608 34 C HA 0.101 4.570 4.460 0.015 0.000 0.407 34 C C -1.779 173.317 174.990 0.177 0.000 1.322 34 C CA -0.999 58.069 59.018 0.084 0.000 1.778 34 C CB -0.327 27.329 27.740 -0.139 0.000 2.654 34 C HN 0.423 nan 8.230 nan 0.000 0.622 35 P HA 0.046 nan 4.420 nan 0.000 0.269 35 P C 0.546 177.846 177.300 0.000 0.000 1.215 35 P CA -0.146 63.005 63.100 0.084 0.000 0.780 35 P CB 0.264 31.970 31.700 0.011 0.000 0.898 36 F N 3.452 123.202 119.950 -0.334 0.000 2.026 36 F HA -0.269 4.264 4.527 0.009 0.000 0.296 36 F C 2.042 177.648 175.800 -0.322 0.000 1.133 36 F CA 1.983 59.522 58.000 -0.770 0.000 1.188 36 F CB -0.821 37.742 39.000 -0.729 0.000 0.968 36 F HN 0.366 nan 8.300 nan 0.000 0.476 37 E N 0.438 120.425 120.200 -0.354 0.000 2.108 37 E HA -0.320 4.039 4.350 0.015 0.000 0.203 37 E C 1.799 178.220 176.600 -0.299 0.000 1.022 37 E CA 2.088 58.263 56.400 -0.374 0.000 0.823 37 E CB -1.467 28.145 29.700 -0.147 0.000 0.744 37 E HN 0.501 nan 8.360 nan 0.000 0.456 38 D N 0.525 120.792 120.400 -0.222 0.000 2.116 38 D HA -0.166 4.483 4.640 0.015 0.000 0.193 38 D C 2.036 178.215 176.300 -0.200 0.000 0.998 38 D CA 1.590 55.465 54.000 -0.209 0.000 0.836 38 D CB -0.304 40.354 40.800 -0.236 0.000 0.951 38 D HN 0.325 nan 8.370 nan 0.000 0.449 39 H N 0.022 119.020 119.070 -0.119 0.000 2.270 39 H HA -0.069 4.499 4.556 0.020 0.000 0.299 39 H C 2.484 177.770 175.328 -0.070 0.000 1.077 39 H CA 1.054 57.092 56.048 -0.016 0.000 1.294 39 H CB -0.753 29.049 29.762 0.067 0.000 1.371 39 H HN 0.012 nan 8.280 nan 0.000 0.491 40 V N 1.437 121.259 119.914 -0.155 0.000 2.257 40 V HA -0.393 3.736 4.120 0.015 0.000 0.257 40 V C 2.916 178.956 176.094 -0.089 0.000 1.077 40 V CA 3.454 65.621 62.300 -0.223 0.000 1.063 40 V CB -1.272 30.273 31.823 -0.463 0.000 0.664 40 V HN 0.645 nan 8.190 nan 0.000 0.450 41 K N -0.271 120.072 120.400 -0.095 0.000 2.000 41 K HA -0.250 4.079 4.320 0.015 0.000 0.218 41 K C 2.079 178.687 176.600 0.014 0.000 1.053 41 K CA 2.417 58.676 56.287 -0.046 0.000 0.946 41 K CB -1.327 31.135 32.500 -0.062 0.000 0.723 41 K HN 0.533 nan 8.250 nan 0.000 0.446 42 L N 0.595 121.847 121.223 0.049 0.000 2.064 42 L HA -0.265 4.084 4.340 0.015 0.000 0.216 42 L C 2.699 179.686 176.870 0.195 0.000 1.077 42 L CA 1.658 56.575 54.840 0.129 0.000 0.766 42 L CB -0.846 41.315 42.059 0.169 0.000 0.890 42 L HN 0.318 nan 8.230 nan 0.000 0.435 43 V N -0.057 119.948 119.914 0.152 0.000 2.220 43 V HA -0.308 3.821 4.120 0.015 0.000 0.246 43 V C 2.274 178.404 176.094 0.060 0.000 1.049 43 V CA 2.156 64.463 62.300 0.013 0.000 1.003 43 V CB -0.752 31.036 31.823 -0.059 0.000 0.634 43 V HN 0.498 nan 8.190 nan 0.000 0.444 44 N N 0.218 118.946 118.700 0.047 0.000 2.069 44 N HA -0.253 4.496 4.740 0.015 0.000 0.196 44 N C 1.795 177.349 175.510 0.073 0.000 1.024 44 N CA 2.080 55.163 53.050 0.056 0.000 0.869 44 N CB -0.427 38.074 38.487 0.023 0.000 1.035 44 N HN 0.639 nan 8.380 nan 0.000 0.434 45 E N 0.332 120.572 120.200 0.066 0.000 2.038 45 E HA -0.121 4.238 4.350 0.015 0.000 0.195 45 E C 2.107 178.778 176.600 0.118 0.000 1.000 45 E CA 1.126 57.571 56.400 0.075 0.000 0.803 45 E CB -0.061 29.668 29.700 0.048 0.000 0.750 45 E HN 0.094 nan 8.360 nan 0.000 0.448 46 V N 1.101 121.083 119.914 0.113 0.000 2.343 46 V HA -0.235 3.894 4.120 0.015 0.000 0.247 46 V C 2.290 178.543 176.094 0.264 0.000 1.051 46 V CA 2.116 64.504 62.300 0.146 0.000 1.036 46 V CB -0.686 31.147 31.823 0.018 0.000 0.654 46 V HN 0.339 nan 8.190 nan 0.000 0.451 47 T N -0.682 114.031 114.554 0.264 0.000 2.833 47 T HA -0.148 4.211 4.350 0.015 0.000 0.269 47 T C 1.880 176.619 174.700 0.065 0.000 1.054 47 T CA 1.220 63.482 62.100 0.270 0.000 1.135 47 T CB -0.182 68.863 68.868 0.295 0.000 0.869 47 T HN 0.423 nan 8.240 nan 0.000 0.466 48 E N 0.744 120.989 120.200 0.076 0.000 2.028 48 E HA 0.001 4.360 4.350 0.015 0.000 0.190 48 E C 1.836 178.427 176.600 -0.016 0.000 0.984 48 E CA 0.662 57.065 56.400 0.005 0.000 0.800 48 E CB -0.646 29.075 29.700 0.035 0.000 0.758 48 E HN 0.509 nan 8.360 nan 0.000 0.448 49 F N 1.769 121.689 119.950 -0.050 0.000 2.154 49 F HA -0.277 4.257 4.527 0.012 0.000 0.301 49 F C 2.147 177.889 175.800 -0.096 0.000 1.087 49 F CA 1.651 59.626 58.000 -0.043 0.000 1.274 49 F CB -0.216 38.794 39.000 0.017 0.000 1.009 49 F HN 0.006 nan 8.300 nan 0.000 0.485 50 A N 0.262 123.109 122.820 0.046 0.000 1.858 50 A HA -0.217 4.112 4.320 0.015 0.000 0.216 50 A C 2.243 179.520 177.584 -0.512 0.000 1.190 50 A CA 1.890 53.816 52.037 -0.185 0.000 0.617 50 A CB -0.771 18.036 19.000 -0.322 0.000 0.827 50 A HN 0.438 nan 8.150 nan 0.000 0.443 51 K N -0.549 119.467 120.400 -0.640 0.000 2.089 51 K HA -0.212 4.117 4.320 0.015 0.000 0.210 51 K C 2.286 178.644 176.600 -0.403 0.000 1.048 51 K CA 2.149 58.065 56.287 -0.619 0.000 0.926 51 K CB -0.621 31.626 32.500 -0.422 0.000 0.714 51 K HN 0.782 nan 8.250 nan 0.000 0.448 52 T N -1.015 113.325 114.554 -0.358 0.000 2.746 52 T HA -0.164 4.195 4.350 0.015 0.000 0.267 52 T C 2.269 176.772 174.700 -0.328 0.000 1.039 52 T CA 1.453 63.357 62.100 -0.328 0.000 1.142 52 T CB -0.771 67.868 68.868 -0.382 0.000 0.866 52 T HN 0.249 nan 8.240 nan 0.000 0.444 53 c N 1.112 119.480 118.600 -0.386 0.000 2.432 53 c HA 0.145 4.724 4.570 0.015 0.000 0.280 53 c C 2.915 176.896 174.090 -0.183 0.000 1.353 53 c CA 0.102 56.272 56.329 -0.265 0.000 1.766 53 c CB -1.184 41.208 42.510 -0.197 0.000 1.924 53 c HN 0.492 nan 8.230 nan 0.000 0.509 54 V N 1.249 121.019 119.914 -0.241 0.000 2.453 54 V HA -0.133 3.996 4.120 0.015 0.000 0.247 54 V C 2.554 178.564 176.094 -0.140 0.000 1.048 54 V CA 2.011 64.198 62.300 -0.189 0.000 1.049 54 V CB -1.202 30.439 31.823 -0.303 0.000 0.672 54 V HN 0.590 nan 8.190 nan 0.000 0.457 55 A N 0.515 123.236 122.820 -0.166 0.000 1.824 55 A HA 0.009 4.338 4.320 0.015 0.000 0.215 55 A C 1.473 178.997 177.584 -0.100 0.000 1.244 55 A CA 1.343 53.306 52.037 -0.124 0.000 0.604 55 A CB -1.063 17.855 19.000 -0.136 0.000 0.900 55 A HN 0.548 nan 8.150 nan 0.000 0.455 56 D N -0.589 119.741 120.400 -0.116 0.000 2.428 56 D HA 0.492 5.141 4.640 0.015 0.000 0.221 56 D C 0.468 176.714 176.300 -0.089 0.000 1.123 56 D CA 0.184 54.129 54.000 -0.091 0.000 0.869 56 D CB 0.584 41.329 40.800 -0.091 0.000 1.032 56 D HN 0.457 nan 8.370 nan 0.000 0.506 57 E N 0.268 120.433 120.200 -0.058 0.000 2.265 57 E HA -0.142 4.217 4.350 0.015 0.000 0.196 57 E C 2.072 178.657 176.600 -0.025 0.000 0.996 57 E CA 1.762 58.140 56.400 -0.036 0.000 0.832 57 E CB 0.198 29.889 29.700 -0.016 0.000 0.756 57 E HN 0.571 nan 8.360 nan 0.000 0.491 58 S N -1.078 114.604 115.700 -0.030 0.000 2.556 58 S HA 0.430 4.909 4.470 0.015 0.000 0.216 58 S C 0.880 175.465 174.600 -0.026 0.000 0.970 58 S CA -0.120 58.069 58.200 -0.017 0.000 0.912 58 S CB 0.322 63.514 63.200 -0.014 0.000 0.790 58 S HN 0.293 nan 8.310 nan 0.000 0.504 59 A N 1.813 124.597 122.820 -0.061 0.000 2.482 59 A HA 0.459 4.788 4.320 0.015 0.000 0.249 59 A C 0.718 178.281 177.584 -0.036 0.000 1.114 59 A CA 0.316 52.303 52.037 -0.082 0.000 0.797 59 A CB -0.821 18.073 19.000 -0.178 0.000 1.067 59 A HN 0.859 nan 8.150 nan 0.000 0.514 60 E N 0.609 120.797 120.200 -0.020 0.000 2.415 60 E HA 0.329 4.688 4.350 0.015 0.000 0.260 60 E C 0.527 177.243 176.600 0.194 0.000 1.016 60 E CA 0.149 56.589 56.400 0.067 0.000 0.924 60 E CB -0.559 29.186 29.700 0.074 0.000 0.961 60 E HN 0.785 nan 8.360 nan 0.000 0.459 61 N N 0.564 119.385 118.700 0.200 0.000 2.828 61 N HA -0.210 4.539 4.740 0.015 0.000 0.248 61 N C 0.854 176.588 175.510 0.373 0.000 1.044 61 N CA 1.129 54.347 53.050 0.280 0.000 0.851 61 N CB -2.162 36.518 38.487 0.321 0.000 1.136 61 N HN 0.683 nan 8.380 nan 0.000 0.572 62 c N 1.074 119.828 118.600 0.256 0.000 2.500 62 c HA -0.028 4.551 4.570 0.015 0.000 0.273 62 c C 2.032 176.224 174.090 0.170 0.000 1.428 62 c CA 0.569 57.032 56.329 0.224 0.000 1.766 62 c CB -0.700 41.843 42.510 0.055 0.000 1.817 62 c HN 0.509 nan 8.230 nan 0.000 0.543 63 D N 0.199 120.680 120.400 0.135 0.000 2.355 63 D HA -0.045 4.604 4.640 0.015 0.000 0.218 63 D C 0.603 176.965 176.300 0.103 0.000 1.004 63 D CA 0.493 54.552 54.000 0.098 0.000 0.880 63 D CB -0.124 40.720 40.800 0.073 0.000 0.911 63 D HN 0.303 nan 8.370 nan 0.000 0.528 64 K N 1.261 121.740 120.400 0.130 0.000 2.230 64 K HA 0.142 4.471 4.320 0.015 0.000 0.253 64 K C 0.721 177.385 176.600 0.106 0.000 1.008 64 K CA -0.114 56.239 56.287 0.110 0.000 0.910 64 K CB 0.904 33.468 32.500 0.107 0.000 0.994 64 K HN 0.194 nan 8.250 nan 0.000 0.495 65 S N 0.418 116.169 115.700 0.084 0.000 2.578 65 S HA 0.246 4.725 4.470 0.015 0.000 0.283 65 S C 1.620 176.243 174.600 0.038 0.000 1.195 65 S CA -0.826 57.409 58.200 0.059 0.000 1.050 65 S CB 0.774 64.010 63.200 0.060 0.000 1.012 65 S HN 0.502 nan 8.310 nan 0.000 0.511 66 L N 0.807 121.987 121.223 -0.071 0.000 2.043 66 L HA -0.184 4.165 4.340 0.015 0.000 0.212 66 L C 2.680 179.354 176.870 -0.327 0.000 1.075 66 L CA 1.521 56.190 54.840 -0.285 0.000 0.752 66 L CB -0.854 40.853 42.059 -0.587 0.000 0.891 66 L HN 0.775 nan 8.230 nan 0.000 0.432 67 H N -0.280 118.684 119.070 -0.178 0.000 2.319 67 H HA -0.132 4.434 4.556 0.018 0.000 0.299 67 H C 2.427 177.771 175.328 0.026 0.000 1.092 67 H CA 1.989 57.992 56.048 -0.076 0.000 1.302 67 H CB -0.487 29.261 29.762 -0.022 0.000 1.373 67 H HN 0.311 nan 8.280 nan 0.000 0.497 68 T N 1.696 116.350 114.554 0.167 0.000 2.708 68 T HA -0.108 4.251 4.350 0.015 0.000 0.266 68 T C 2.511 177.287 174.700 0.127 0.000 1.037 68 T CA 1.134 63.306 62.100 0.120 0.000 1.146 68 T CB -0.454 68.467 68.868 0.088 0.000 0.865 68 T HN 0.137 nan 8.240 nan 0.000 0.435 69 L N -0.235 121.086 121.223 0.164 0.000 1.955 69 L HA -0.085 4.264 4.340 0.015 0.000 0.213 69 L C 2.471 179.515 176.870 0.289 0.000 1.072 69 L CA 1.517 56.465 54.840 0.180 0.000 0.755 69 L CB -0.772 41.435 42.059 0.247 0.000 0.888 69 L HN 0.162 nan 8.230 nan 0.000 0.432 70 F N 0.543 120.547 119.950 0.090 0.000 2.091 70 F HA -0.167 4.363 4.527 0.005 0.000 0.299 70 F C 2.533 178.292 175.800 -0.068 0.000 1.103 70 F CA 1.212 59.305 58.000 0.156 0.000 1.228 70 F CB -1.729 37.462 39.000 0.319 0.000 0.984 70 F HN 0.051 nan 8.300 nan 0.000 0.477 71 G N -0.181 108.711 108.800 0.153 0.000 2.459 71 G HA2 -0.252 3.717 3.960 0.015 0.000 0.217 71 G HA3 -0.252 3.717 3.960 0.015 0.000 0.217 71 G C 1.513 176.400 174.900 -0.022 0.000 1.183 71 G CA 1.174 46.255 45.100 -0.032 0.000 0.776 71 G HN 0.262 nan 8.290 nan 0.000 0.552 72 D N 0.724 121.134 120.400 0.016 0.000 2.106 72 D HA -0.113 4.536 4.640 0.015 0.000 0.191 72 D C 2.516 178.780 176.300 -0.060 0.000 0.997 72 D CA 1.000 54.994 54.000 -0.010 0.000 0.834 72 D CB -0.109 40.683 40.800 -0.012 0.000 0.956 72 D HN 0.118 nan 8.370 nan 0.000 0.448 73 K N 0.726 121.068 120.400 -0.096 0.000 2.044 73 K HA -0.099 4.230 4.320 0.015 0.000 0.210 73 K C 2.453 178.910 176.600 -0.238 0.000 1.049 73 K CA 0.397 56.587 56.287 -0.161 0.000 0.927 73 K CB -0.820 31.568 32.500 -0.187 0.000 0.713 73 K HN 0.275 nan 8.250 nan 0.000 0.443 74 L N 0.364 121.383 121.223 -0.340 0.000 2.187 74 L HA -0.219 4.130 4.340 0.015 0.000 0.213 74 L C 2.174 178.976 176.870 -0.114 0.000 1.100 74 L CA 0.754 55.388 54.840 -0.345 0.000 0.765 74 L CB -0.368 41.383 42.059 -0.513 0.000 0.904 74 L HN 0.165 nan 8.230 nan 0.000 0.437 75 c N -0.673 117.898 118.600 -0.048 0.000 2.626 75 c HA 0.056 4.636 4.570 0.015 0.000 0.266 75 c C 1.713 175.785 174.090 -0.031 0.000 1.317 75 c CA 0.141 56.473 56.329 0.005 0.000 1.716 75 c CB -1.445 41.084 42.510 0.031 0.000 1.819 75 c HN 0.550 nan 8.230 nan 0.000 0.578 90 c N 1.143 119.534 118.600 -0.348 0.000 2.500 90 c HA 0.088 4.668 4.570 0.015 0.000 0.279 90 c C 2.907 176.766 174.090 -0.385 0.000 1.288 90 c CA 1.248 57.250 56.329 -0.545 0.000 1.710 90 c CB -0.939 40.949 42.510 -1.036 0.000 2.052 90 c HN 0.658 nan 8.230 nan 0.000 0.488 91 c N 0.993 119.432 118.600 -0.268 0.000 2.422 91 c HA -0.022 4.557 4.570 0.015 0.000 0.279 91 c C 2.759 176.799 174.090 -0.084 0.000 1.305 91 c CA 1.065 57.328 56.329 -0.110 0.000 1.757 91 c CB -1.567 40.914 42.510 -0.049 0.000 1.962 91 c HN 0.694 nan 8.230 nan 0.000 0.499 92 A N 0.011 122.772 122.820 -0.097 0.000 2.263 92 A HA 0.036 4.365 4.320 0.015 0.000 0.205 92 A C 0.713 178.255 177.584 -0.069 0.000 1.226 92 A CA 0.929 52.924 52.037 -0.070 0.000 0.810 92 A CB -0.330 18.630 19.000 -0.066 0.000 0.784 92 A HN 0.738 nan 8.150 nan 0.000 0.486 93 K N -0.959 119.390 120.400 -0.084 0.000 2.352 93 K HA 0.582 4.912 4.320 0.015 0.000 0.240 93 K C -0.613 175.958 176.600 -0.049 0.000 1.017 93 K CA -0.673 55.571 56.287 -0.073 0.000 0.851 93 K CB 1.302 33.739 32.500 -0.105 0.000 1.261 93 K HN 0.273 nan 8.250 nan 0.000 0.451 94 Q N 0.711 120.489 119.800 -0.036 0.000 2.399 94 Q HA 0.197 4.546 4.340 0.015 0.000 0.276 94 Q C -1.129 174.862 176.000 -0.016 0.000 1.098 94 Q CA -1.007 54.785 55.803 -0.017 0.000 0.827 94 Q CB 2.040 30.773 28.738 -0.009 0.000 1.386 94 Q HN 0.340 nan 8.270 nan 0.000 0.443 95 E N 2.678 122.878 120.200 -0.000 0.000 2.502 95 E HA -0.058 4.301 4.350 0.015 0.000 0.261 95 E C -1.722 174.876 176.600 -0.003 0.000 0.974 95 E CA -0.606 55.794 56.400 -0.000 0.000 0.936 95 E CB 0.506 30.221 29.700 0.025 0.000 0.926 95 E HN 0.303 nan 8.360 nan 0.000 0.459 96 P HA 0.115 nan 4.420 nan 0.000 0.267 96 P C -0.032 177.239 177.300 -0.048 0.000 1.289 96 P CA 0.128 63.208 63.100 -0.033 0.000 0.866 96 P CB 0.672 32.361 31.700 -0.019 0.000 1.309 97 E N 0.499 120.675 120.200 -0.041 0.000 2.204 97 E HA -0.127 4.232 4.350 0.015 0.000 0.195 97 E C 2.196 178.744 176.600 -0.087 0.000 0.990 97 E CA 0.751 57.119 56.400 -0.054 0.000 0.821 97 E CB -0.529 29.142 29.700 -0.048 0.000 0.750 97 E HN 0.179 nan 8.360 nan 0.000 0.477 98 R N 0.787 121.240 120.500 -0.079 0.000 2.090 98 R HA -0.072 4.277 4.340 0.015 0.000 0.228 98 R C 1.915 178.170 176.300 -0.075 0.000 1.110 98 R CA 1.293 57.333 56.100 -0.101 0.000 0.973 98 R CB -0.198 30.085 30.300 -0.028 0.000 0.869 98 R HN 0.228 nan 8.270 nan 0.000 0.440 99 N N 0.425 119.094 118.700 -0.052 0.000 2.207 99 N HA -0.133 4.616 4.740 0.015 0.000 0.182 99 N C 1.092 176.560 175.510 -0.071 0.000 1.020 99 N CA 0.848 53.860 53.050 -0.065 0.000 0.858 99 N CB 0.082 38.365 38.487 -0.339 0.000 0.991 99 N HN 0.154 nan 8.380 nan 0.000 0.427 100 E N 0.900 121.053 120.200 -0.077 0.000 2.219 100 E HA -0.164 4.195 4.350 0.015 0.000 0.198 100 E C 2.025 178.589 176.600 -0.059 0.000 0.998 100 E CA 0.309 56.685 56.400 -0.041 0.000 0.818 100 E CB -0.892 28.790 29.700 -0.029 0.000 0.741 100 E HN 0.424 nan 8.360 nan 0.000 0.477 101 c N -0.195 118.309 118.600 -0.160 0.000 2.473 101 c HA -0.145 4.434 4.570 0.015 0.000 0.279 101 c C 2.516 176.391 174.090 -0.359 0.000 1.250 101 c CA 0.427 56.569 56.329 -0.311 0.000 1.713 101 c CB -1.339 40.850 42.510 -0.535 0.000 2.066 101 c HN 0.330 nan 8.230 nan 0.000 0.474 102 F N 1.164 120.916 119.950 -0.329 0.000 2.126 102 F HA -0.104 4.435 4.527 0.019 0.000 0.299 102 F C 2.223 177.976 175.800 -0.078 0.000 1.096 102 F CA 1.600 59.385 58.000 -0.357 0.000 1.255 102 F CB -0.772 37.697 39.000 -0.886 0.000 0.997 102 F HN 0.214 nan 8.300 nan 0.000 0.479 103 L N -0.828 120.492 121.223 0.163 0.000 1.994 103 L HA -0.265 4.084 4.340 0.015 0.000 0.208 103 L C 2.676 179.649 176.870 0.173 0.000 1.071 103 L CA 1.637 56.605 54.840 0.214 0.000 0.745 103 L CB -1.101 41.031 42.059 0.121 0.000 0.892 103 L HN 0.046 nan 8.230 nan 0.000 0.431 104 Q N -1.002 118.883 119.800 0.142 0.000 2.443 104 Q HA -0.222 4.127 4.340 0.015 0.000 0.213 104 Q C 1.383 177.521 176.000 0.229 0.000 0.982 104 Q CA 1.343 57.244 55.803 0.162 0.000 0.894 104 Q CB -0.555 28.271 28.738 0.146 0.000 0.947 104 Q HN 0.634 nan 8.270 nan 0.000 0.480 105 H N -0.855 118.231 119.070 0.026 0.000 2.542 105 H HA 0.398 4.962 4.556 0.014 0.000 0.283 105 H C -0.045 175.333 175.328 0.084 0.000 1.059 105 H CA -0.219 55.847 56.048 0.030 0.000 1.162 105 H CB 0.360 30.114 29.762 -0.013 0.000 1.539 105 H HN 0.244 nan 8.280 nan 0.000 0.543 106 K N 1.387 121.917 120.400 0.216 0.000 2.368 106 K HA 0.015 4.344 4.320 0.015 0.000 0.282 106 K C -0.263 176.434 176.600 0.161 0.000 1.035 106 K CA 0.067 56.466 56.287 0.187 0.000 0.973 106 K CB 0.746 33.332 32.500 0.144 0.000 0.957 106 K HN 0.229 nan 8.250 nan 0.000 0.474 107 D N 2.953 123.424 120.400 0.119 0.000 2.373 107 D HA 0.033 4.682 4.640 0.015 0.000 0.227 107 D C -0.050 176.289 176.300 0.064 0.000 1.091 107 D CA -0.234 53.807 54.000 0.068 0.000 0.840 107 D CB 1.000 41.820 40.800 0.033 0.000 1.060 107 D HN 0.469 nan 8.370 nan 0.000 0.502 108 D N 2.500 122.932 120.400 0.053 0.000 2.348 108 D HA -0.078 4.571 4.640 0.015 0.000 0.216 108 D C 0.199 176.473 176.300 -0.043 0.000 0.970 108 D CA 0.775 54.784 54.000 0.016 0.000 0.889 108 D CB 0.355 41.138 40.800 -0.028 0.000 0.912 108 D HN 0.476 nan 8.370 nan 0.000 0.524 109 N N 0.492 119.167 118.700 -0.041 0.000 2.711 109 N HA 0.155 4.905 4.740 0.015 0.000 0.263 109 N C -2.799 172.680 175.510 -0.051 0.000 1.667 109 N CA -1.155 51.859 53.050 -0.061 0.000 0.785 109 N CB 1.196 39.650 38.487 -0.056 0.000 1.231 109 N HN -0.201 nan 8.380 nan 0.000 0.503 110 P HA 0.098 nan 4.420 nan 0.000 0.268 110 P C 0.259 177.535 177.300 -0.040 0.000 1.208 110 P CA 0.315 63.393 63.100 -0.036 0.000 0.777 110 P CB 0.506 32.181 31.700 -0.041 0.000 0.875 111 N N 1.775 120.460 118.700 -0.026 0.000 2.375 111 N HA 0.107 4.857 4.740 0.015 0.000 0.220 111 N C 0.460 175.958 175.510 -0.021 0.000 1.170 111 N CA -0.189 52.845 53.050 -0.026 0.000 0.833 111 N CB -0.803 37.673 38.487 -0.019 0.000 1.069 111 N HN 0.270 nan 8.380 nan 0.000 0.479 112 L N 0.283 121.490 121.223 -0.027 0.000 2.439 112 L HA 0.309 4.658 4.340 0.015 0.000 0.269 112 L C -1.565 175.290 176.870 -0.025 0.000 1.179 112 L CA -1.538 53.288 54.840 -0.023 0.000 0.828 112 L CB 0.141 42.175 42.059 -0.041 0.000 1.106 112 L HN 0.229 nan 8.230 nan 0.000 0.467 113 P HA 0.103 nan 4.420 nan 0.000 0.271 113 P C -0.224 177.066 177.300 -0.016 0.000 1.233 113 P CA -0.300 62.794 63.100 -0.010 0.000 0.795 113 P CB 0.355 32.059 31.700 0.006 0.000 0.936 114 R N 0.825 121.318 120.500 -0.013 0.000 2.543 114 R HA 0.200 4.549 4.340 0.015 0.000 0.277 114 R C -0.060 176.238 176.300 -0.003 0.000 1.074 114 R CA -0.188 55.906 56.100 -0.011 0.000 1.076 114 R CB -0.859 29.436 30.300 -0.008 0.000 0.993 114 R HN 0.559 nan 8.270 nan 0.000 0.459 115 L N 3.578 124.799 121.223 -0.002 0.000 2.828 115 L HA 0.337 4.686 4.340 0.015 0.000 0.233 115 L C 0.136 177.019 176.870 0.023 0.000 1.250 115 L CA -0.207 54.635 54.840 0.003 0.000 1.125 115 L CB 0.884 42.933 42.059 -0.016 0.000 1.432 115 L HN 0.621 nan 8.230 nan 0.000 0.444 116 V N 1.626 121.557 119.914 0.029 0.000 3.133 116 V HA 0.405 4.534 4.120 0.015 0.000 0.305 116 V C 0.208 176.339 176.094 0.061 0.000 1.084 116 V CA -0.384 61.942 62.300 0.043 0.000 1.089 116 V CB 1.238 33.083 31.823 0.037 0.000 1.073 116 V HN 0.692 nan 8.190 nan 0.000 0.477 117 R N 3.858 124.403 120.500 0.074 0.000 2.265 117 R HA 0.646 4.995 4.340 0.015 0.000 0.319 117 R C -2.330 174.025 176.300 0.091 0.000 1.006 117 R CA -1.048 55.112 56.100 0.101 0.000 0.880 117 R CB -0.232 30.139 30.300 0.118 0.000 1.077 117 R HN 0.898 nan 8.270 nan 0.000 0.454 118 P HA 0.131 nan 4.420 nan 0.000 0.330 118 P C -0.480 176.872 177.300 0.086 0.000 1.377 118 P CA -0.262 62.893 63.100 0.091 0.000 0.793 118 P CB 0.270 32.033 31.700 0.106 0.000 1.813 119 E N -0.316 119.934 120.200 0.083 0.000 2.227 119 E HA 0.098 4.457 4.350 0.015 0.000 0.282 119 E C 1.425 178.075 176.600 0.083 0.000 1.015 119 E CA -0.298 56.143 56.400 0.070 0.000 0.823 119 E CB 1.138 30.873 29.700 0.058 0.000 1.081 119 E HN -0.009 nan 8.360 nan 0.000 0.396 120 V N 3.668 123.619 119.914 0.062 0.000 2.232 120 V HA -0.404 3.725 4.120 0.015 0.000 0.254 120 V C 1.645 177.789 176.094 0.083 0.000 1.058 120 V CA 2.393 64.725 62.300 0.053 0.000 1.048 120 V CB -0.432 31.398 31.823 0.011 0.000 0.668 120 V HN 0.702 nan 8.190 nan 0.000 0.462 121 D N -0.272 120.169 120.400 0.068 0.000 2.172 121 D HA -0.159 4.490 4.640 0.015 0.000 0.196 121 D C 2.127 178.488 176.300 0.101 0.000 0.999 121 D CA 1.813 55.861 54.000 0.081 0.000 0.856 121 D CB -0.270 40.565 40.800 0.059 0.000 0.934 121 D HN 0.407 nan 8.370 nan 0.000 0.453 122 V N 1.354 121.328 119.914 0.099 0.000 2.287 122 V HA -0.291 3.838 4.120 0.015 0.000 0.248 122 V C 2.565 178.743 176.094 0.141 0.000 1.053 122 V CA 1.529 63.892 62.300 0.106 0.000 1.027 122 V CB -0.442 31.442 31.823 0.101 0.000 0.646 122 V HN 0.218 nan 8.190 nan 0.000 0.447 123 M N -0.983 118.732 119.600 0.192 0.000 2.059 123 M HA -0.197 4.292 4.480 0.015 0.000 0.259 123 M C 2.510 178.902 176.300 0.154 0.000 1.072 123 M CA 2.153 57.623 55.300 0.285 0.000 1.117 123 M CB -0.919 31.969 32.600 0.480 0.000 1.320 123 M HN 0.397 nan 8.290 nan 0.000 0.408 124 c N 0.597 119.312 118.600 0.192 0.000 2.363 124 c HA -0.203 4.377 4.570 0.015 0.000 0.274 124 c C 2.903 177.064 174.090 0.118 0.000 1.183 124 c CA 1.738 58.158 56.329 0.152 0.000 1.771 124 c CB -1.407 41.236 42.510 0.220 0.000 2.059 124 c HN 0.600 nan 8.230 nan 0.000 0.455 125 T N 0.784 115.425 114.554 0.145 0.000 2.760 125 T HA -0.198 4.161 4.350 0.015 0.000 0.269 125 T C 1.901 176.627 174.700 0.044 0.000 1.047 125 T CA 1.868 64.040 62.100 0.120 0.000 1.139 125 T CB -0.333 68.586 68.868 0.085 0.000 0.855 125 T HN 0.726 nan 8.240 nan 0.000 0.471 126 A N 0.562 123.376 122.820 -0.010 0.000 1.935 126 A HA 0.194 4.523 4.320 0.015 0.000 0.214 126 A C 1.894 179.282 177.584 -0.327 0.000 1.178 126 A CA 0.491 52.499 52.037 -0.049 0.000 0.640 126 A CB -0.708 18.357 19.000 0.110 0.000 0.825 126 A HN 0.468 nan 8.150 nan 0.000 0.447 127 F N 0.471 119.861 119.950 -0.935 0.000 2.269 127 F HA -0.144 4.389 4.527 0.010 0.000 0.301 127 F C 2.139 177.488 175.800 -0.752 0.000 1.082 127 F CA 1.683 58.806 58.000 -1.461 0.000 1.360 127 F CB -0.174 37.903 39.000 -1.538 0.000 1.041 127 F HN 0.353 nan 8.300 nan 0.000 0.512 128 H N -1.170 117.622 119.070 -0.463 0.000 2.337 128 H HA -0.042 4.525 4.556 0.017 0.000 0.311 128 H C 2.019 177.191 175.328 -0.261 0.000 1.054 128 H CA 1.142 56.948 56.048 -0.404 0.000 1.385 128 H CB -0.935 28.700 29.762 -0.212 0.000 1.437 128 H HN 0.207 nan 8.280 nan 0.000 0.553 129 D N 1.110 121.492 120.400 -0.029 0.000 2.157 129 D HA -0.179 4.470 4.640 0.015 0.000 0.191 129 D C 0.361 176.633 176.300 -0.045 0.000 1.004 129 D CA 1.218 55.203 54.000 -0.025 0.000 0.854 129 D CB 0.051 40.852 40.800 0.001 0.000 0.936 129 D HN 0.168 nan 8.370 nan 0.000 0.446 130 N N -0.381 118.279 118.700 -0.067 0.000 2.594 130 N HA 0.001 4.751 4.740 0.015 0.000 0.280 130 N C -0.155 175.321 175.510 -0.058 0.000 1.156 130 N CA -0.208 52.820 53.050 -0.037 0.000 0.831 130 N CB 1.585 40.092 38.487 0.033 0.000 1.379 130 N HN 0.058 nan 8.380 nan 0.000 0.536 131 E N 1.679 121.799 120.200 -0.133 0.000 2.216 131 E HA -0.040 4.319 4.350 0.015 0.000 0.192 131 E C 0.395 177.033 176.600 0.063 0.000 0.988 131 E CA 0.896 57.202 56.400 -0.157 0.000 0.834 131 E CB 0.493 29.994 29.700 -0.332 0.000 0.772 131 E HN 0.432 nan 8.360 nan 0.000 0.479 132 E N -0.063 120.177 120.200 0.066 0.000 2.112 132 E HA -0.063 4.296 4.350 0.015 0.000 0.190 132 E C 2.008 178.715 176.600 0.178 0.000 0.979 132 E CA 1.086 57.554 56.400 0.112 0.000 0.814 132 E CB -0.331 29.415 29.700 0.075 0.000 0.762 132 E HN 0.168 nan 8.360 nan 0.000 0.460 133 T N 1.186 115.856 114.554 0.192 0.000 2.995 133 T HA -0.064 4.295 4.350 0.015 0.000 0.269 133 T C 1.474 176.330 174.700 0.261 0.000 1.091 133 T CA 0.431 62.701 62.100 0.283 0.000 1.128 133 T CB -0.259 68.767 68.868 0.265 0.000 0.891 133 T HN 0.077 nan 8.240 nan 0.000 0.492 134 F N 1.731 121.715 119.950 0.058 0.000 2.084 134 F HA 0.044 4.579 4.527 0.013 0.000 0.296 134 F C 1.841 177.675 175.800 0.057 0.000 1.111 134 F CA 1.148 59.152 58.000 0.007 0.000 1.224 134 F CB -0.391 38.596 39.000 -0.022 0.000 0.991 134 F HN 0.036 nan 8.300 nan 0.000 0.471 135 L N 0.333 121.687 121.223 0.218 0.000 2.093 135 L HA -0.160 4.189 4.340 0.015 0.000 0.208 135 L C 2.801 179.767 176.870 0.160 0.000 1.085 135 L CA 1.549 56.498 54.840 0.181 0.000 0.755 135 L CB -1.269 40.925 42.059 0.225 0.000 0.904 135 L HN 0.150 nan 8.230 nan 0.000 0.435 136 K N 0.917 121.434 120.400 0.196 0.000 2.152 136 K HA -0.186 4.143 4.320 0.015 0.000 0.206 136 K C 2.365 179.099 176.600 0.223 0.000 1.048 136 K CA 1.953 58.412 56.287 0.287 0.000 0.933 136 K CB -1.260 31.507 32.500 0.445 0.000 0.721 136 K HN 0.453 nan 8.250 nan 0.000 0.447 137 K N -0.221 120.097 120.400 -0.137 0.000 2.057 137 K HA -0.079 4.250 4.320 0.015 0.000 0.206 137 K C 2.131 178.624 176.600 -0.179 0.000 1.050 137 K CA 1.558 57.525 56.287 -0.534 0.000 0.935 137 K CB -1.046 31.097 32.500 -0.596 0.000 0.715 137 K HN 0.645 nan 8.250 nan 0.000 0.439 138 Y N 1.386 121.505 120.300 -0.301 0.000 2.049 138 Y HA -0.133 4.418 4.550 0.001 0.000 0.277 138 Y C 2.146 177.881 175.900 -0.275 0.000 1.143 138 Y CA 1.991 59.867 58.100 -0.373 0.000 1.115 138 Y CB -0.422 37.767 38.460 -0.451 0.000 0.975 138 Y HN 0.112 nan 8.280 nan 0.000 0.487 139 L N -0.922 120.221 121.223 -0.133 0.000 2.129 139 L HA -0.280 4.069 4.340 0.015 0.000 0.212 139 L C 2.375 179.145 176.870 -0.167 0.000 1.087 139 L CA 1.873 56.585 54.840 -0.212 0.000 0.757 139 L CB -1.034 41.005 42.059 -0.034 0.000 0.896 139 L HN 0.383 nan 8.230 nan 0.000 0.434 140 Y N 1.118 121.334 120.300 -0.140 0.000 2.133 140 Y HA -0.219 4.338 4.550 0.011 0.000 0.287 140 Y C 2.636 178.458 175.900 -0.129 0.000 1.134 140 Y CA 1.594 59.657 58.100 -0.062 0.000 1.133 140 Y CB -0.130 38.395 38.460 0.108 0.000 0.987 140 Y HN 0.078 nan 8.280 nan 0.000 0.502 141 E N 0.615 120.569 120.200 -0.409 0.000 2.017 141 E HA -0.195 4.164 4.350 0.015 0.000 0.193 141 E C 2.405 178.776 176.600 -0.382 0.000 0.997 141 E CA 1.495 57.613 56.400 -0.470 0.000 0.804 141 E CB -0.605 28.927 29.700 -0.279 0.000 0.757 141 E HN 0.474 nan 8.360 nan 0.000 0.448 142 I N 1.325 121.628 120.570 -0.444 0.000 2.145 142 I HA -0.287 3.892 4.170 0.015 0.000 0.244 142 I C 2.417 178.402 176.117 -0.220 0.000 1.075 142 I CA 1.427 62.486 61.300 -0.403 0.000 1.332 142 I CB -1.388 36.107 38.000 -0.841 0.000 1.033 142 I HN -0.011 nan 8.210 nan 0.000 0.410 143 A N 1.647 124.284 122.820 -0.305 0.000 1.902 143 A HA -0.220 4.109 4.320 0.015 0.000 0.217 143 A C 2.430 179.938 177.584 -0.126 0.000 1.181 143 A CA 1.857 53.780 52.037 -0.190 0.000 0.623 143 A CB -0.632 18.244 19.000 -0.207 0.000 0.818 143 A HN 0.576 nan 8.150 nan 0.000 0.443 144 R N -0.831 119.534 120.500 -0.225 0.000 2.115 144 R HA 0.016 4.365 4.340 0.015 0.000 0.226 144 R C 1.915 178.137 176.300 -0.130 0.000 1.100 144 R CA 1.270 57.254 56.100 -0.194 0.000 0.980 144 R CB -0.336 29.752 30.300 -0.354 0.000 0.875 144 R HN 0.411 nan 8.270 nan 0.000 0.445 145 R N -0.025 120.396 120.500 -0.131 0.000 2.200 145 R HA 0.094 4.443 4.340 0.015 0.000 0.208 145 R C 0.110 176.177 176.300 -0.389 0.000 1.033 145 R CA 0.585 56.557 56.100 -0.212 0.000 1.000 145 R CB 0.226 30.413 30.300 -0.189 0.000 0.906 145 R HN 0.422 nan 8.270 nan 0.000 0.462 146 H N 0.566 119.638 119.070 0.003 0.000 2.448 146 H HA 0.152 4.720 4.556 0.019 0.000 0.237 146 H C -2.016 173.382 175.328 0.116 0.000 1.391 146 H CA -1.732 54.378 56.048 0.104 0.000 1.477 146 H CB 1.506 31.399 29.762 0.218 0.000 1.520 146 H HN 0.012 nan 8.280 nan 0.000 0.502 147 P HA -0.137 nan 4.420 nan 0.000 0.236 147 P C 0.148 177.368 177.300 -0.134 0.000 1.172 147 P CA 1.045 64.152 63.100 0.012 0.000 0.759 147 P CB 0.038 31.738 31.700 -0.001 0.000 0.843 148 Y N -2.923 117.439 120.300 0.103 0.000 2.527 148 Y HA 0.290 4.849 4.550 0.015 0.000 0.247 148 Y C 1.026 177.014 175.900 0.146 0.000 1.138 148 Y CA -1.093 57.062 58.100 0.092 0.000 1.228 148 Y CB -0.342 38.146 38.460 0.046 0.000 1.252 148 Y HN -0.237 nan 8.280 nan 0.000 0.531 149 F N 1.108 121.152 119.950 0.157 0.000 2.635 149 F HA -0.140 4.390 4.527 0.005 0.000 0.379 149 F C 0.382 176.278 175.800 0.159 0.000 1.094 149 F CA -0.397 57.666 58.000 0.104 0.000 1.300 149 F CB 0.184 39.170 39.000 -0.023 0.000 1.035 149 F HN 0.062 nan 8.300 nan 0.000 0.581 150 Y N 7.066 127.552 120.300 0.309 0.000 2.730 150 Y HA 0.269 4.871 4.550 0.086 0.000 0.357 150 Y C 1.083 177.189 175.900 0.343 0.000 1.167 150 Y CA -0.590 57.676 58.100 0.277 0.000 1.579 150 Y CB -0.039 38.551 38.460 0.216 0.000 1.262 150 Y HN 0.735 nan 8.280 nan 0.000 0.510 151 A N 7.472 130.363 122.820 0.118 0.000 1.894 151 A HA -0.267 4.062 4.320 0.015 0.000 0.220 151 A C -0.322 177.206 177.584 -0.093 0.000 1.237 151 A CA 2.248 54.267 52.037 -0.030 0.000 0.660 151 A CB -1.870 17.071 19.000 -0.098 0.000 0.835 151 A HN 0.643 nan 8.150 nan 0.000 0.461 152 P HA -0.191 nan 4.420 nan 0.000 0.213 152 P C 1.367 178.680 177.300 0.022 0.000 1.176 152 P CA 1.558 64.521 63.100 -0.227 0.000 0.919 152 P CB -0.140 31.267 31.700 -0.488 0.000 0.791 153 E N -0.877 119.389 120.200 0.110 0.000 2.171 153 E HA -0.195 4.164 4.350 0.015 0.000 0.197 153 E C 1.898 178.949 176.600 0.750 0.000 0.997 153 E CA 0.923 57.651 56.400 0.545 0.000 0.810 153 E CB -0.975 29.211 29.700 0.810 0.000 0.738 153 E HN 0.138 nan 8.360 nan 0.000 0.467 154 L N 0.765 122.262 121.223 0.457 0.000 2.131 154 L HA -0.127 4.222 4.340 0.015 0.000 0.210 154 L C 2.177 179.174 176.870 0.211 0.000 1.092 154 L CA 1.286 56.199 54.840 0.122 0.000 0.759 154 L CB -0.567 41.298 42.059 -0.323 0.000 0.903 154 L HN 0.078 nan 8.230 nan 0.000 0.435 155 L N -1.881 119.449 121.223 0.179 0.000 2.046 155 L HA -0.237 4.113 4.340 0.015 0.000 0.208 155 L C 2.470 179.463 176.870 0.204 0.000 1.077 155 L CA 1.494 56.421 54.840 0.145 0.000 0.747 155 L CB -0.806 41.308 42.059 0.092 0.000 0.896 155 L HN 0.283 nan 8.230 nan 0.000 0.432 156 F N 0.484 120.510 119.950 0.125 0.000 2.126 156 F HA -0.273 4.232 4.527 -0.037 0.000 0.299 156 F C 2.114 177.913 175.800 -0.001 0.000 1.096 156 F CA 1.517 59.533 58.000 0.027 0.000 1.255 156 F CB -0.333 38.651 39.000 -0.027 0.000 0.997 156 F HN -0.127 nan 8.300 nan 0.000 0.479 157 F N 0.345 120.376 119.950 0.135 0.000 2.146 157 F HA -0.060 4.462 4.527 -0.008 0.000 0.298 157 F C 2.617 178.467 175.800 0.083 0.000 1.096 157 F CA 1.229 59.277 58.000 0.080 0.000 1.275 157 F CB -1.351 37.764 39.000 0.191 0.000 1.008 157 F HN 0.058 nan 8.300 nan 0.000 0.480 158 A N 0.021 123.041 122.820 0.334 0.000 1.892 158 A HA -0.311 4.018 4.320 0.015 0.000 0.218 158 A C 2.231 179.876 177.584 0.102 0.000 1.188 158 A CA 2.275 54.473 52.037 0.268 0.000 0.631 158 A CB -0.855 18.274 19.000 0.215 0.000 0.822 158 A HN 0.376 nan 8.150 nan 0.000 0.447 159 K N -0.790 119.604 120.400 -0.010 0.000 1.985 159 K HA -0.125 4.204 4.320 0.015 0.000 0.210 159 K C 2.327 178.839 176.600 -0.147 0.000 1.047 159 K CA 1.326 57.561 56.287 -0.086 0.000 0.932 159 K CB -0.237 32.171 32.500 -0.152 0.000 0.716 159 K HN 0.368 nan 8.250 nan 0.000 0.439 160 R N -0.639 119.680 120.500 -0.302 0.000 2.170 160 R HA -0.204 4.145 4.340 0.015 0.000 0.242 160 R C 2.298 178.539 176.300 -0.098 0.000 1.145 160 R CA 1.712 57.647 56.100 -0.276 0.000 0.984 160 R CB -0.378 29.660 30.300 -0.436 0.000 0.869 160 R HN 0.386 nan 8.270 nan 0.000 0.455 161 Y N 1.428 121.611 120.300 -0.195 0.000 2.153 161 Y HA -0.215 4.341 4.550 0.010 0.000 0.289 161 Y C 2.598 178.432 175.900 -0.109 0.000 1.127 161 Y CA 2.288 60.248 58.100 -0.233 0.000 1.131 161 Y CB -0.543 37.509 38.460 -0.680 0.000 0.995 161 Y HN -0.047 nan 8.280 nan 0.000 0.505 162 K N 0.766 121.096 120.400 -0.116 0.000 2.063 162 K HA -0.081 4.249 4.320 0.015 0.000 0.208 162 K C 2.333 178.866 176.600 -0.111 0.000 1.048 162 K CA 1.784 58.011 56.287 -0.099 0.000 0.928 162 K CB -1.763 30.781 32.500 0.073 0.000 0.713 162 K HN 0.629 nan 8.250 nan 0.000 0.442 163 A N 1.172 123.936 122.820 -0.093 0.000 1.869 163 A HA 0.072 4.401 4.320 0.015 0.000 0.218 163 A C 2.831 180.324 177.584 -0.152 0.000 1.203 163 A CA 2.999 54.981 52.037 -0.091 0.000 0.638 163 A CB -1.255 17.683 19.000 -0.104 0.000 0.831 163 A HN 1.169 nan 8.150 nan 0.000 0.450 164 A N -1.340 121.350 122.820 -0.218 0.000 1.903 164 A HA -0.175 4.154 4.320 0.015 0.000 0.219 164 A C 1.996 179.301 177.584 -0.465 0.000 1.191 164 A CA 1.948 53.795 52.037 -0.317 0.000 0.638 164 A CB -0.953 17.827 19.000 -0.368 0.000 0.823 164 A HN 0.535 nan 8.150 nan 0.000 0.451 165 F N 0.233 119.783 119.950 -0.666 0.000 2.365 165 F HA -0.089 4.446 4.527 0.012 0.000 0.300 165 F C 2.471 177.873 175.800 -0.663 0.000 1.090 165 F CA 1.736 59.110 58.000 -1.044 0.000 1.408 165 F CB -0.295 37.347 39.000 -2.264 0.000 1.060 165 F HN 0.151 nan 8.300 nan 0.000 0.534 166 T N -1.408 113.064 114.554 -0.137 0.000 3.067 166 T HA 0.044 4.403 4.350 0.015 0.000 0.257 166 T C 1.830 176.568 174.700 0.064 0.000 1.105 166 T CA 1.223 63.425 62.100 0.169 0.000 1.104 166 T CB -0.142 68.841 68.868 0.191 0.000 0.925 166 T HN 0.430 nan 8.240 nan 0.000 0.498 167 E N -0.791 119.384 120.200 -0.041 0.000 2.562 167 E HA 0.263 4.622 4.350 0.015 0.000 0.214 167 E C 1.523 178.081 176.600 -0.071 0.000 0.979 167 E CA 0.005 56.380 56.400 -0.042 0.000 1.002 167 E CB -0.800 28.866 29.700 -0.056 0.000 1.048 167 E HN 0.572 nan 8.360 nan 0.000 0.488 168 c N -1.470 117.059 118.600 -0.119 0.000 3.545 168 c HA 0.195 4.774 4.570 0.015 0.000 0.368 168 c C 1.964 176.003 174.090 -0.086 0.000 1.400 168 c CA 0.237 56.483 56.329 -0.137 0.000 1.848 168 c CB -0.340 42.020 42.510 -0.249 0.000 2.576 168 c HN 0.751 nan 8.230 nan 0.000 0.683 169 c N 1.738 120.324 118.600 -0.023 0.000 2.524 169 c HA 0.384 4.963 4.570 0.015 0.000 0.301 169 c C 1.314 175.495 174.090 0.153 0.000 1.296 169 c CA 0.831 57.228 56.329 0.112 0.000 1.683 169 c CB -2.123 40.559 42.510 0.287 0.000 1.764 169 c HN 0.736 nan 8.230 nan 0.000 0.597 170 Q N -0.230 119.614 119.800 0.073 0.000 3.891 170 Q HA 0.703 5.052 4.340 0.015 0.000 0.190 170 Q C -0.688 175.321 176.000 0.015 0.000 0.886 170 Q CA 0.554 56.386 55.803 0.049 0.000 0.747 170 Q CB 0.528 29.304 28.738 0.063 0.000 1.476 170 Q HN 0.781 nan 8.270 nan 0.000 0.452 171 A N -0.331 122.491 122.820 0.004 0.000 2.522 171 A HA 0.968 5.297 4.320 0.015 0.000 0.291 171 A C 0.863 178.442 177.584 -0.009 0.000 1.039 171 A CA 0.253 52.286 52.037 -0.007 0.000 0.643 171 A CB -0.094 18.895 19.000 -0.017 0.000 1.310 171 A HN 1.794 nan 8.150 nan 0.000 0.436 172 A N 0.723 123.537 122.820 -0.010 0.000 2.021 172 A HA 0.097 4.426 4.320 0.015 0.000 0.206 172 A C 0.734 178.311 177.584 -0.012 0.000 1.210 172 A CA 1.849 53.880 52.037 -0.009 0.000 0.733 172 A CB -1.002 17.992 19.000 -0.009 0.000 0.839 172 A HN 1.299 nan 8.150 nan 0.000 0.495 173 D N -0.064 120.327 120.400 -0.015 0.000 2.344 173 D HA 0.220 4.869 4.640 0.015 0.000 0.253 173 D C 0.261 176.544 176.300 -0.029 0.000 1.255 173 D CA -0.066 53.923 54.000 -0.018 0.000 0.894 173 D CB 1.175 41.965 40.800 -0.017 0.000 1.067 173 D HN 0.523 nan 8.370 nan 0.000 0.492 174 K N 1.689 122.070 120.400 -0.031 0.000 2.141 174 K HA 0.067 4.396 4.320 0.015 0.000 0.202 174 K C 1.970 178.529 176.600 -0.067 0.000 1.045 174 K CA 0.565 56.821 56.287 -0.051 0.000 0.971 174 K CB 0.049 32.525 32.500 -0.040 0.000 0.795 174 K HN 0.407 nan 8.250 nan 0.000 0.459 175 A N 1.182 123.975 122.820 -0.046 0.000 2.225 175 A HA 0.009 4.338 4.320 0.015 0.000 0.215 175 A C 1.879 179.437 177.584 -0.043 0.000 1.164 175 A CA 1.494 53.504 52.037 -0.045 0.000 0.710 175 A CB -0.424 18.564 19.000 -0.020 0.000 0.780 175 A HN 0.317 nan 8.150 nan 0.000 0.473 176 A N -2.610 120.185 122.820 -0.041 0.000 2.431 176 A HA 0.322 4.651 4.320 0.015 0.000 0.239 176 A C 1.577 179.134 177.584 -0.046 0.000 1.230 176 A CA 0.705 52.721 52.037 -0.034 0.000 0.928 176 A CB -0.720 18.266 19.000 -0.023 0.000 1.006 176 A HN 0.630 nan 8.150 nan 0.000 0.520 177 c N -1.776 116.784 118.600 -0.067 0.000 2.426 177 c HA 0.336 4.915 4.570 0.015 0.000 0.318 177 c C 2.063 176.080 174.090 -0.122 0.000 1.451 177 c CA 0.925 57.204 56.329 -0.083 0.000 2.090 177 c CB -0.950 41.508 42.510 -0.086 0.000 2.151 177 c HN 0.493 nan 8.230 nan 0.000 0.608 178 L N 1.656 122.777 121.223 -0.170 0.000 1.925 178 L HA 0.042 4.391 4.340 0.015 0.000 0.215 178 L C 2.429 179.194 176.870 -0.175 0.000 1.082 178 L CA 2.110 56.794 54.840 -0.259 0.000 0.764 178 L CB -1.096 40.744 42.059 -0.365 0.000 0.887 178 L HN 0.459 nan 8.230 nan 0.000 0.432 179 L N -0.529 120.617 121.223 -0.127 0.000 2.125 179 L HA -0.348 4.001 4.340 0.015 0.000 0.234 179 L C 0.008 176.857 176.870 -0.034 0.000 1.110 179 L CA 2.449 57.252 54.840 -0.061 0.000 0.832 179 L CB -2.532 39.507 42.059 -0.034 0.000 0.922 179 L HN 0.314 nan 8.230 nan 0.000 0.449 180 P HA -0.217 nan 4.420 nan 0.000 0.216 180 P C 1.617 178.912 177.300 -0.008 0.000 1.150 180 P CA 2.573 65.665 63.100 -0.015 0.000 0.843 180 P CB -0.061 31.627 31.700 -0.021 0.000 0.787 181 K N -0.010 120.369 120.400 -0.035 0.000 2.031 181 K HA -0.061 4.269 4.320 0.015 0.000 0.205 181 K C 2.061 178.670 176.600 0.016 0.000 1.049 181 K CA 1.417 57.688 56.287 -0.027 0.000 0.939 181 K CB -1.786 30.664 32.500 -0.084 0.000 0.717 181 K HN 0.115 nan 8.250 nan 0.000 0.438 182 L N 0.919 122.143 121.223 0.002 0.000 2.187 182 L HA -0.217 4.132 4.340 0.015 0.000 0.213 182 L C 2.094 179.025 176.870 0.102 0.000 1.100 182 L CA 1.310 56.197 54.840 0.078 0.000 0.765 182 L CB -0.539 41.557 42.059 0.061 0.000 0.904 182 L HN 0.473 nan 8.230 nan 0.000 0.437 183 D N 0.132 120.574 120.400 0.069 0.000 2.077 183 D HA -0.233 4.416 4.640 0.015 0.000 0.197 183 D C 1.902 178.260 176.300 0.097 0.000 0.983 183 D CA 1.263 55.308 54.000 0.075 0.000 0.841 183 D CB -0.178 40.654 40.800 0.053 0.000 0.992 183 D HN 0.318 nan 8.370 nan 0.000 0.450 184 E N 0.395 120.648 120.200 0.089 0.000 2.233 184 E HA -0.186 4.173 4.350 0.015 0.000 0.199 184 E C 2.297 178.997 176.600 0.167 0.000 1.004 184 E CA 0.600 57.065 56.400 0.109 0.000 0.819 184 E CB -0.067 29.683 29.700 0.084 0.000 0.738 184 E HN 0.227 nan 8.360 nan 0.000 0.478 185 L N -0.031 121.305 121.223 0.188 0.000 2.131 185 L HA -0.106 4.243 4.340 0.015 0.000 0.206 185 L C 2.432 179.471 176.870 0.281 0.000 1.087 185 L CA 0.554 55.570 54.840 0.293 0.000 0.767 185 L CB -0.248 41.996 42.059 0.308 0.000 0.917 185 L HN 0.077 nan 8.230 nan 0.000 0.441 186 R N 0.086 120.697 120.500 0.185 0.000 2.115 186 R HA -0.085 4.264 4.340 0.015 0.000 0.226 186 R C 1.583 177.953 176.300 0.117 0.000 1.100 186 R CA 1.075 57.248 56.100 0.123 0.000 0.980 186 R CB -0.937 29.424 30.300 0.102 0.000 0.875 186 R HN 0.351 nan 8.270 nan 0.000 0.445 187 D N 0.667 121.149 120.400 0.137 0.000 2.103 187 D HA -0.113 4.536 4.640 0.015 0.000 0.199 187 D C 1.787 178.186 176.300 0.164 0.000 0.978 187 D CA 1.059 55.136 54.000 0.129 0.000 0.829 187 D CB -0.048 40.822 40.800 0.117 0.000 0.981 187 D HN 0.310 nan 8.370 nan 0.000 0.464 188 E N -0.186 120.161 120.200 0.246 0.000 2.110 188 E HA -0.114 4.245 4.350 0.015 0.000 0.193 188 E C 2.130 178.957 176.600 0.378 0.000 0.988 188 E CA 1.100 57.717 56.400 0.362 0.000 0.804 188 E CB -0.157 29.838 29.700 0.492 0.000 0.745 188 E HN 0.302 nan 8.360 nan 0.000 0.458 189 G N 0.836 109.777 108.800 0.234 0.000 2.402 189 G HA2 -0.246 3.724 3.960 0.015 0.000 0.216 189 G HA3 -0.246 3.724 3.960 0.015 0.000 0.216 189 G C 1.451 176.288 174.900 -0.105 0.000 1.162 189 G CA 0.570 45.598 45.100 -0.121 0.000 0.777 189 G HN 0.133 nan 8.290 nan 0.000 0.539 190 K N 0.490 120.879 120.400 -0.018 0.000 2.097 190 K HA 0.064 4.393 4.320 0.015 0.000 0.205 190 K C 2.935 179.526 176.600 -0.015 0.000 1.050 190 K CA 0.902 57.185 56.287 -0.007 0.000 0.938 190 K CB -0.167 32.370 32.500 0.063 0.000 0.718 190 K HN 0.267 nan 8.250 nan 0.000 0.442 191 A N 0.886 123.730 122.820 0.040 0.000 1.898 191 A HA -0.177 4.152 4.320 0.015 0.000 0.216 191 A C 2.227 179.801 177.584 -0.016 0.000 1.181 191 A CA 1.977 54.049 52.037 0.059 0.000 0.620 191 A CB -0.673 18.402 19.000 0.124 0.000 0.819 191 A HN 0.268 nan 8.150 nan 0.000 0.442 192 S N -0.662 115.011 115.700 -0.045 0.000 2.359 192 S HA -0.173 4.306 4.470 0.015 0.000 0.224 192 S C 2.381 176.718 174.600 -0.438 0.000 1.035 192 S CA 2.079 60.181 58.200 -0.163 0.000 1.018 192 S CB -0.502 62.627 63.200 -0.118 0.000 0.876 192 S HN 0.645 nan 8.310 nan 0.000 0.448 193 S N 0.784 116.093 115.700 -0.651 0.000 2.353 193 S HA -0.056 4.423 4.470 0.015 0.000 0.222 193 S C 2.136 176.604 174.600 -0.220 0.000 1.035 193 S CA 1.597 59.462 58.200 -0.558 0.000 1.025 193 S CB -0.915 62.092 63.200 -0.322 0.000 0.902 193 S HN 0.702 nan 8.310 nan 0.000 0.440 194 A N 0.987 123.726 122.820 -0.136 0.000 1.940 194 A HA -0.116 4.213 4.320 0.015 0.000 0.219 194 A C 2.282 179.801 177.584 -0.108 0.000 1.176 194 A CA 2.066 54.044 52.037 -0.098 0.000 0.631 194 A CB -0.937 18.019 19.000 -0.073 0.000 0.814 194 A HN 0.508 nan 8.150 nan 0.000 0.446 195 K N -1.217 119.121 120.400 -0.103 0.000 2.025 195 K HA -0.123 4.206 4.320 0.015 0.000 0.207 195 K C 2.428 178.966 176.600 -0.102 0.000 1.049 195 K CA 1.756 57.996 56.287 -0.079 0.000 0.933 195 K CB -0.525 31.941 32.500 -0.058 0.000 0.714 195 K HN 0.711 nan 8.250 nan 0.000 0.438 196 Q N 0.218 119.938 119.800 -0.133 0.000 2.224 196 Q HA -0.030 4.319 4.340 0.015 0.000 0.203 196 Q C 2.033 177.996 176.000 -0.061 0.000 0.970 196 Q CA 1.628 57.371 55.803 -0.099 0.000 0.865 196 Q CB -0.262 28.436 28.738 -0.067 0.000 0.922 196 Q HN 0.213 nan 8.270 nan 0.000 0.445 197 R N -0.420 120.024 120.500 -0.094 0.000 2.096 197 R HA -0.076 4.273 4.340 0.015 0.000 0.235 197 R C 1.853 178.059 176.300 -0.157 0.000 1.127 197 R CA 1.064 57.075 56.100 -0.147 0.000 0.968 197 R CB -0.766 29.429 30.300 -0.174 0.000 0.861 197 R HN 0.402 nan 8.270 nan 0.000 0.440 198 L N 0.763 121.897 121.223 -0.147 0.000 2.083 198 L HA -0.088 4.261 4.340 0.015 0.000 0.209 198 L C 1.560 178.298 176.870 -0.221 0.000 1.083 198 L CA 1.887 56.617 54.840 -0.183 0.000 0.752 198 L CB -0.387 41.561 42.059 -0.185 0.000 0.899 198 L HN 0.098 nan 8.230 nan 0.000 0.433 199 K N -1.347 118.949 120.400 -0.173 0.000 2.025 199 K HA -0.141 4.188 4.320 0.015 0.000 0.207 199 K C 2.125 178.703 176.600 -0.036 0.000 1.049 199 K CA 1.636 57.864 56.287 -0.100 0.000 0.933 199 K CB -0.454 31.985 32.500 -0.100 0.000 0.714 199 K HN 0.430 nan 8.250 nan 0.000 0.438 200 c N 0.602 119.192 118.600 -0.016 0.000 2.462 200 c HA -0.074 4.505 4.570 0.015 0.000 0.278 200 c C 2.916 177.001 174.090 -0.009 0.000 1.253 200 c CA 0.846 57.197 56.329 0.038 0.000 1.713 200 c CB -0.905 41.686 42.510 0.135 0.000 2.049 200 c HN 0.551 nan 8.230 nan 0.000 0.477 201 A N 0.406 123.182 122.820 -0.073 0.000 1.917 201 A HA -0.208 4.122 4.320 0.015 0.000 0.219 201 A C 2.257 179.884 177.584 0.071 0.000 1.182 201 A CA 2.455 54.466 52.037 -0.044 0.000 0.633 201 A CB -0.873 18.087 19.000 -0.067 0.000 0.819 201 A HN 0.562 nan 8.150 nan 0.000 0.448 202 S N -0.299 115.426 115.700 0.041 0.000 2.353 202 S HA -0.131 4.348 4.470 0.015 0.000 0.222 202 S C 1.869 176.594 174.600 0.208 0.000 1.035 202 S CA 1.549 59.821 58.200 0.119 0.000 1.025 202 S CB -0.503 62.640 63.200 -0.095 0.000 0.902 202 S HN 0.514 nan 8.310 nan 0.000 0.440 203 L N 1.023 122.320 121.223 0.124 0.000 1.955 203 L HA -0.233 4.116 4.340 0.015 0.000 0.213 203 L C 3.358 180.285 176.870 0.095 0.000 1.072 203 L CA 2.070 56.966 54.840 0.093 0.000 0.755 203 L CB -1.334 40.723 42.059 -0.003 0.000 0.888 203 L HN 0.458 nan 8.230 nan 0.000 0.432 204 Q N 0.207 120.047 119.800 0.066 0.000 2.030 204 Q HA -0.259 4.090 4.340 0.015 0.000 0.204 204 Q C 2.351 178.308 176.000 -0.071 0.000 0.986 204 Q CA 2.528 58.343 55.803 0.019 0.000 0.843 204 Q CB -0.961 27.771 28.738 -0.010 0.000 0.904 204 Q HN 0.418 nan 8.270 nan 0.000 0.420 205 K N -1.101 119.198 120.400 -0.167 0.000 2.243 205 K HA 0.178 4.507 4.320 0.015 0.000 0.201 205 K C 1.434 177.575 176.600 -0.766 0.000 1.051 205 K CA 0.963 56.945 56.287 -0.509 0.000 0.970 205 K CB 0.007 32.061 32.500 -0.742 0.000 0.755 205 K HN 0.758 nan 8.250 nan 0.000 0.465 206 F N -0.489 119.464 119.950 0.004 0.000 2.729 206 F HA 0.458 4.993 4.527 0.013 0.000 0.315 206 F C 1.080 176.904 175.800 0.040 0.000 1.102 206 F CA -0.017 57.991 58.000 0.014 0.000 1.204 206 F CB 0.820 39.818 39.000 -0.003 0.000 1.052 206 F HN 0.269 nan 8.300 nan 0.000 0.551 207 G N 1.725 110.617 108.800 0.154 0.000 2.758 207 G HA2 -0.252 3.717 3.960 0.015 0.000 0.686 207 G HA3 -0.252 3.717 3.960 0.015 0.000 0.686 207 G C 0.625 175.630 174.900 0.175 0.000 1.389 207 G CA -0.080 45.102 45.100 0.137 0.000 0.845 207 G HN 0.490 nan 8.290 nan 0.000 0.572 208 E N 0.050 120.338 120.200 0.146 0.000 2.208 208 E HA -0.063 4.296 4.350 0.015 0.000 0.193 208 E C 2.231 178.979 176.600 0.246 0.000 0.988 208 E CA 0.992 57.503 56.400 0.185 0.000 0.828 208 E CB 0.039 29.805 29.700 0.111 0.000 0.763 208 E HN 0.607 nan 8.360 nan 0.000 0.478 209 R N 0.708 121.319 120.500 0.186 0.000 2.096 209 R HA -0.113 4.236 4.340 0.015 0.000 0.235 209 R C 2.303 178.718 176.300 0.193 0.000 1.127 209 R CA 1.495 57.701 56.100 0.177 0.000 0.968 209 R CB -0.349 30.034 30.300 0.138 0.000 0.861 209 R HN 0.315 nan 8.270 nan 0.000 0.440 210 A N 0.055 122.993 122.820 0.197 0.000 1.898 210 A HA -0.178 4.151 4.320 0.015 0.000 0.216 210 A C 1.980 179.681 177.584 0.195 0.000 1.181 210 A CA 1.195 53.331 52.037 0.165 0.000 0.620 210 A CB -0.730 18.369 19.000 0.164 0.000 0.819 210 A HN 0.527 nan 8.150 nan 0.000 0.442 211 F N 0.657 120.671 119.950 0.107 0.000 2.186 211 F HA -0.111 4.424 4.527 0.013 0.000 0.299 211 F C 2.142 178.094 175.800 0.253 0.000 1.090 211 F CA 1.946 60.031 58.000 0.141 0.000 1.307 211 F CB -0.037 39.022 39.000 0.098 0.000 1.019 211 F HN 0.093 nan 8.300 nan 0.000 0.489 212 K N 0.224 120.833 120.400 0.348 0.000 2.057 212 K HA -0.123 4.206 4.320 0.015 0.000 0.206 212 K C 2.332 179.020 176.600 0.148 0.000 1.050 212 K CA 1.126 57.562 56.287 0.248 0.000 0.935 212 K CB -0.547 32.101 32.500 0.247 0.000 0.715 212 K HN 0.349 nan 8.250 nan 0.000 0.439 213 A N 0.915 123.827 122.820 0.154 0.000 1.877 213 A HA -0.207 4.122 4.320 0.015 0.000 0.216 213 A C 1.925 179.559 177.584 0.084 0.000 1.186 213 A CA 1.392 53.501 52.037 0.121 0.000 0.620 213 A CB -0.925 18.142 19.000 0.113 0.000 0.822 213 A HN 0.559 nan 8.150 nan 0.000 0.443 214 W N 0.547 121.764 121.300 -0.139 0.000 2.332 214 W HA -0.189 4.477 4.660 0.010 0.000 0.321 214 W C 2.559 178.953 176.519 -0.208 0.000 1.219 214 W CA 2.593 59.812 57.345 -0.211 0.000 1.277 214 W CB -0.450 28.856 29.460 -0.258 0.000 1.161 214 W HN 0.346 nan 8.180 nan 0.000 0.476 215 A N -0.434 122.296 122.820 -0.149 0.000 1.972 215 A HA -0.171 4.158 4.320 0.015 0.000 0.219 215 A C 2.015 179.522 177.584 -0.128 0.000 1.169 215 A CA 2.202 54.089 52.037 -0.250 0.000 0.635 215 A CB -1.193 17.688 19.000 -0.198 0.000 0.810 215 A HN 0.214 nan 8.150 nan 0.000 0.446 216 V N -0.210 119.683 119.914 -0.035 0.000 2.295 216 V HA -0.266 3.863 4.120 0.015 0.000 0.246 216 V C 3.064 179.146 176.094 -0.021 0.000 1.049 216 V CA 1.987 64.320 62.300 0.054 0.000 1.024 216 V CB -1.217 30.695 31.823 0.149 0.000 0.648 216 V HN 0.622 nan 8.190 nan 0.000 0.447 217 A N -1.220 121.508 122.820 -0.153 0.000 1.902 217 A HA -0.256 4.073 4.320 0.015 0.000 0.217 217 A C 2.142 179.500 177.584 -0.377 0.000 1.181 217 A CA 1.843 53.717 52.037 -0.272 0.000 0.623 217 A CB -0.758 18.015 19.000 -0.377 0.000 0.818 217 A HN 0.654 nan 8.150 nan 0.000 0.443 218 H N -0.266 118.549 119.070 -0.425 0.000 2.357 218 H HA 0.002 4.569 4.556 0.018 0.000 0.301 218 H C 2.054 177.153 175.328 -0.381 0.000 1.082 218 H CA 1.615 57.377 56.048 -0.475 0.000 1.342 218 H CB -0.246 29.096 29.762 -0.700 0.000 1.389 218 H HN 0.387 nan 8.280 nan 0.000 0.511 219 L N -0.110 121.018 121.223 -0.158 0.000 2.217 219 L HA -0.074 4.275 4.340 0.015 0.000 0.211 219 L C 2.371 179.176 176.870 -0.109 0.000 1.107 219 L CA 0.603 55.327 54.840 -0.193 0.000 0.783 219 L CB -0.283 41.830 42.059 0.090 0.000 0.919 219 L HN 0.109 nan 8.230 nan 0.000 0.442 220 S N -0.536 115.161 115.700 -0.004 0.000 2.423 220 S HA -0.152 4.327 4.470 0.015 0.000 0.231 220 S C 1.903 176.443 174.600 -0.099 0.000 1.014 220 S CA 0.990 59.221 58.200 0.050 0.000 0.965 220 S CB -0.023 63.205 63.200 0.048 0.000 0.785 220 S HN 0.469 nan 8.310 nan 0.000 0.495 221 Q N 0.208 119.900 119.800 -0.180 0.000 2.163 221 Q HA 0.108 4.457 4.340 0.015 0.000 0.198 221 Q C 2.109 177.972 176.000 -0.227 0.000 0.954 221 Q CA 0.565 56.251 55.803 -0.195 0.000 0.851 221 Q CB 0.015 28.636 28.738 -0.196 0.000 0.928 221 Q HN 0.279 nan 8.270 nan 0.000 0.459 222 R N -0.097 120.166 120.500 -0.396 0.000 2.153 222 R HA 0.008 4.358 4.340 0.015 0.000 0.218 222 R C 0.173 176.221 176.300 -0.419 0.000 1.072 222 R CA 0.682 56.439 56.100 -0.571 0.000 0.990 222 R CB 0.203 29.866 30.300 -1.061 0.000 0.889 222 R HN 0.146 nan 8.270 nan 0.000 0.452 223 F N 0.372 120.324 119.950 0.002 0.000 2.523 223 F HA 0.381 4.915 4.527 0.011 0.000 0.322 223 F C -1.783 174.040 175.800 0.039 0.000 1.361 223 F CA -3.474 54.542 58.000 0.026 0.000 1.151 223 F CB 1.226 40.259 39.000 0.054 0.000 1.391 223 F HN -0.166 nan 8.300 nan 0.000 0.566 224 P HA -0.135 nan 4.420 nan 0.000 0.220 224 P C 1.416 178.763 177.300 0.079 0.000 1.148 224 P CA 1.285 64.404 63.100 0.033 0.000 0.803 224 P CB 0.365 32.038 31.700 -0.045 0.000 0.782 225 K N -0.301 120.166 120.400 0.112 0.000 2.167 225 K HA 0.131 4.460 4.320 0.015 0.000 0.203 225 K C 1.242 177.925 176.600 0.137 0.000 1.052 225 K CA 0.362 56.706 56.287 0.095 0.000 0.956 225 K CB -0.865 31.675 32.500 0.066 0.000 0.735 225 K HN 0.075 nan 8.250 nan 0.000 0.451 226 A N 2.337 125.267 122.820 0.183 0.000 2.520 226 A HA -0.038 4.291 4.320 0.015 0.000 0.235 226 A C 0.045 177.775 177.584 0.243 0.000 1.065 226 A CA 0.045 52.187 52.037 0.175 0.000 0.764 226 A CB 0.002 19.116 19.000 0.189 0.000 1.002 226 A HN 0.251 nan 8.150 nan 0.000 0.502 227 E N 0.162 120.438 120.200 0.126 0.000 2.343 227 E HA 0.231 4.590 4.350 0.015 0.000 0.269 227 E C 0.375 176.903 176.600 -0.121 0.000 1.047 227 E CA -0.394 56.051 56.400 0.076 0.000 0.874 227 E CB 0.480 30.203 29.700 0.038 0.000 1.033 227 E HN 0.620 nan 8.360 nan 0.000 0.409 228 F N 3.317 122.894 119.950 -0.622 0.000 2.120 228 F HA -0.244 4.293 4.527 0.016 0.000 0.300 228 F C 1.835 177.424 175.800 -0.352 0.000 1.095 228 F CA 2.047 59.475 58.000 -0.954 0.000 1.249 228 F CB -0.467 37.964 39.000 -0.949 0.000 0.995 228 F HN 0.578 nan 8.300 nan 0.000 0.480 229 A N -0.396 122.206 122.820 -0.362 0.000 1.940 229 A HA -0.236 4.093 4.320 0.015 0.000 0.219 229 A C 2.108 179.535 177.584 -0.261 0.000 1.176 229 A CA 1.916 53.752 52.037 -0.336 0.000 0.631 229 A CB -0.858 18.066 19.000 -0.127 0.000 0.814 229 A HN 0.456 nan 8.150 nan 0.000 0.446 230 E N -0.212 119.893 120.200 -0.159 0.000 2.046 230 E HA -0.079 4.281 4.350 0.015 0.000 0.190 230 E C 1.919 178.479 176.600 -0.067 0.000 0.982 230 E CA 1.338 57.700 56.400 -0.063 0.000 0.800 230 E CB -0.441 29.257 29.700 -0.004 0.000 0.756 230 E HN 0.230 nan 8.360 nan 0.000 0.449 231 V N 0.340 120.205 119.914 -0.082 0.000 2.407 231 V HA -0.248 3.881 4.120 0.015 0.000 0.248 231 V C 2.292 178.333 176.094 -0.088 0.000 1.055 231 V CA 1.931 64.237 62.300 0.008 0.000 1.049 231 V CB -0.566 31.329 31.823 0.120 0.000 0.662 231 V HN 0.224 nan 8.190 nan 0.000 0.455 232 S N -0.545 114.964 115.700 -0.320 0.000 2.356 232 S HA -0.214 4.265 4.470 0.015 0.000 0.223 232 S C 2.102 176.610 174.600 -0.154 0.000 1.032 232 S CA 1.413 59.426 58.200 -0.311 0.000 1.005 232 S CB -0.336 62.517 63.200 -0.578 0.000 0.867 232 S HN 0.470 nan 8.310 nan 0.000 0.449 233 K N 1.546 121.851 120.400 -0.159 0.000 2.032 233 K HA -0.076 4.253 4.320 0.015 0.000 0.209 233 K C 1.993 178.533 176.600 -0.101 0.000 1.048 233 K CA 1.303 57.510 56.287 -0.133 0.000 0.927 233 K CB -0.638 31.771 32.500 -0.151 0.000 0.712 233 K HN 0.363 nan 8.250 nan 0.000 0.441 234 L N 0.473 121.670 121.223 -0.044 0.000 2.017 234 L HA -0.181 4.169 4.340 0.015 0.000 0.208 234 L C 2.571 179.489 176.870 0.080 0.000 1.073 234 L CA 0.894 55.752 54.840 0.029 0.000 0.745 234 L CB -0.509 41.620 42.059 0.115 0.000 0.894 234 L HN -0.077 nan 8.230 nan 0.000 0.432 235 V N -0.522 119.442 119.914 0.084 0.000 2.407 235 V HA -0.279 3.850 4.120 0.015 0.000 0.248 235 V C 2.557 178.747 176.094 0.161 0.000 1.055 235 V CA 2.289 64.675 62.300 0.143 0.000 1.049 235 V CB -0.726 31.168 31.823 0.119 0.000 0.662 235 V HN 0.494 nan 8.190 nan 0.000 0.455 236 T N -0.242 114.360 114.554 0.080 0.000 2.674 236 T HA -0.194 4.165 4.350 0.015 0.000 0.265 236 T C 1.671 176.412 174.700 0.070 0.000 1.039 236 T CA 1.773 63.914 62.100 0.069 0.000 1.150 236 T CB -0.407 68.466 68.868 0.009 0.000 0.864 236 T HN 0.479 nan 8.240 nan 0.000 0.427 237 D N 0.976 121.394 120.400 0.031 0.000 2.123 237 D HA -0.049 4.600 4.640 0.015 0.000 0.196 237 D C 2.025 178.381 176.300 0.093 0.000 0.992 237 D CA 0.586 54.600 54.000 0.025 0.000 0.833 237 D CB -0.456 40.325 40.800 -0.032 0.000 0.954 237 D HN 0.112 nan 8.370 nan 0.000 0.455 238 L N 0.870 122.192 121.223 0.165 0.000 2.083 238 L HA -0.105 4.244 4.340 0.015 0.000 0.209 238 L C 2.304 179.398 176.870 0.373 0.000 1.083 238 L CA 1.581 56.597 54.840 0.293 0.000 0.752 238 L CB -1.087 41.182 42.059 0.350 0.000 0.899 238 L HN 0.007 nan 8.230 nan 0.000 0.433 239 T N -1.168 113.577 114.554 0.318 0.000 2.821 239 T HA -0.188 4.171 4.350 0.015 0.000 0.267 239 T C 1.943 176.659 174.700 0.026 0.000 1.046 239 T CA 1.252 63.462 62.100 0.183 0.000 1.139 239 T CB 0.020 69.020 68.868 0.220 0.000 0.871 239 T HN 0.272 nan 8.240 nan 0.000 0.454 240 K N 0.859 121.289 120.400 0.050 0.000 2.025 240 K HA -0.066 4.263 4.320 0.015 0.000 0.207 240 K C 2.221 178.818 176.600 -0.005 0.000 1.049 240 K CA 0.995 57.285 56.287 0.005 0.000 0.933 240 K CB -0.275 32.230 32.500 0.009 0.000 0.714 240 K HN 0.131 nan 8.250 nan 0.000 0.438 241 V N 1.305 121.224 119.914 0.009 0.000 2.287 241 V HA -0.262 3.867 4.120 0.015 0.000 0.248 241 V C 2.346 178.390 176.094 -0.083 0.000 1.053 241 V CA 1.845 64.121 62.300 -0.040 0.000 1.027 241 V CB -0.665 31.125 31.823 -0.054 0.000 0.646 241 V HN 0.437 nan 8.190 nan 0.000 0.447 242 H N -0.192 118.904 119.070 0.044 0.000 2.428 242 H HA -0.084 4.487 4.556 0.024 0.000 0.296 242 H C 2.492 177.801 175.328 -0.032 0.000 1.062 242 H CA 1.859 57.904 56.048 -0.005 0.000 1.350 242 H CB -0.375 29.290 29.762 -0.161 0.000 1.403 242 H HN 0.413 nan 8.280 nan 0.000 0.533 243 T N 0.960 115.507 114.554 -0.011 0.000 2.720 243 T HA -0.135 4.224 4.350 0.015 0.000 0.268 243 T C 1.873 176.598 174.700 0.043 0.000 1.037 243 T CA 1.381 63.459 62.100 -0.037 0.000 1.144 243 T CB -0.040 68.723 68.868 -0.175 0.000 0.864 243 T HN 0.504 nan 8.240 nan 0.000 0.444 244 E N 0.007 120.217 120.200 0.016 0.000 2.031 244 E HA -0.107 4.252 4.350 0.015 0.000 0.193 244 E C 2.541 179.194 176.600 0.088 0.000 0.994 244 E CA 1.146 57.568 56.400 0.038 0.000 0.800 244 E CB -0.288 29.408 29.700 -0.008 0.000 0.752 244 E HN 0.401 nan 8.360 nan 0.000 0.447 245 c N 0.360 119.016 118.600 0.094 0.000 2.429 245 c HA -0.134 4.445 4.570 0.015 0.000 0.277 245 c C 2.912 177.093 174.090 0.151 0.000 1.262 245 c CA 0.314 56.714 56.329 0.119 0.000 1.733 245 c CB -0.710 41.936 42.510 0.226 0.000 2.010 245 c HN 0.616 nan 8.230 nan 0.000 0.483 246 c N -1.138 117.594 118.600 0.220 0.000 2.435 246 c HA -0.087 4.492 4.570 0.015 0.000 0.279 246 c C 2.084 176.270 174.090 0.161 0.000 1.321 246 c CA 0.960 57.429 56.329 0.235 0.000 1.752 246 c CB -1.703 40.974 42.510 0.279 0.000 1.959 246 c HN 0.684 nan 8.230 nan 0.000 0.500 247 H N -0.529 118.587 119.070 0.077 0.000 2.526 247 H HA 0.296 4.859 4.556 0.012 0.000 0.274 247 H C 1.748 177.154 175.328 0.130 0.000 0.999 247 H CA 0.787 56.897 56.048 0.104 0.000 1.157 247 H CB -0.296 29.533 29.762 0.113 0.000 1.407 247 H HN 0.492 nan 8.280 nan 0.000 0.568 248 G N 0.215 109.079 108.800 0.106 0.000 2.234 248 G HA2 -0.272 3.697 3.960 0.015 0.000 0.235 248 G HA3 -0.272 3.697 3.960 0.015 0.000 0.235 248 G C 0.151 175.046 174.900 -0.008 0.000 0.997 248 G CA 0.093 45.188 45.100 -0.009 0.000 0.623 248 G HN 0.406 nan 8.290 nan 0.000 0.514 249 D N 2.067 122.487 120.400 0.034 0.000 2.745 249 D HA 0.253 4.902 4.640 0.015 0.000 0.229 249 D C 2.124 178.359 176.300 -0.107 0.000 1.088 249 D CA 0.031 53.966 54.000 -0.108 0.000 1.054 249 D CB -0.170 40.585 40.800 -0.075 0.000 1.132 249 D HN 0.431 nan 8.370 nan 0.000 0.464 250 L N -0.280 120.866 121.223 -0.127 0.000 1.994 250 L HA -0.195 4.154 4.340 0.015 0.000 0.208 250 L C 2.463 179.254 176.870 -0.132 0.000 1.071 250 L CA 0.909 55.677 54.840 -0.121 0.000 0.745 250 L CB -0.453 41.523 42.059 -0.139 0.000 0.892 250 L HN 0.271 nan 8.230 nan 0.000 0.431 251 L N 0.084 121.215 121.223 -0.152 0.000 2.013 251 L HA -0.234 4.115 4.340 0.015 0.000 0.212 251 L C 2.912 179.717 176.870 -0.107 0.000 1.073 251 L CA 1.551 56.311 54.840 -0.133 0.000 0.753 251 L CB -0.780 41.209 42.059 -0.117 0.000 0.890 251 L HN 0.454 nan 8.230 nan 0.000 0.432 252 E N -0.407 119.728 120.200 -0.108 0.000 2.150 252 E HA -0.231 4.128 4.350 0.015 0.000 0.193 252 E C 2.343 178.905 176.600 -0.063 0.000 0.985 252 E CA 1.471 57.826 56.400 -0.076 0.000 0.814 252 E CB -1.150 28.512 29.700 -0.064 0.000 0.752 252 E HN 0.564 nan 8.360 nan 0.000 0.466 253 c N 1.631 120.188 118.600 -0.073 0.000 2.432 253 c HA 0.115 4.694 4.570 0.015 0.000 0.277 253 c C 3.050 177.087 174.090 -0.088 0.000 1.249 253 c CA 1.458 57.747 56.329 -0.067 0.000 1.725 253 c CB -1.035 41.439 42.510 -0.061 0.000 2.028 253 c HN 0.540 nan 8.230 nan 0.000 0.477 254 A N -0.038 122.716 122.820 -0.109 0.000 1.877 254 A HA -0.190 4.139 4.320 0.015 0.000 0.216 254 A C 2.091 179.633 177.584 -0.069 0.000 1.186 254 A CA 2.208 54.179 52.037 -0.110 0.000 0.620 254 A CB -0.984 17.950 19.000 -0.109 0.000 0.822 254 A HN 0.703 nan 8.150 nan 0.000 0.443 255 D N 0.079 120.440 120.400 -0.065 0.000 2.087 255 D HA -0.170 4.479 4.640 0.015 0.000 0.192 255 D C 1.300 177.588 176.300 -0.020 0.000 0.993 255 D CA 1.630 55.601 54.000 -0.049 0.000 0.828 255 D CB -0.307 40.447 40.800 -0.076 0.000 0.968 255 D HN 0.356 nan 8.370 nan 0.000 0.448 256 D N 0.003 120.394 120.400 -0.017 0.000 2.182 256 D HA -0.152 4.497 4.640 0.015 0.000 0.201 256 D C 2.117 178.424 176.300 0.011 0.000 0.986 256 D CA 0.458 54.459 54.000 0.002 0.000 0.847 256 D CB -0.197 40.602 40.800 -0.001 0.000 0.942 256 D HN 0.274 nan 8.370 nan 0.000 0.467 257 R N 0.600 121.099 120.500 -0.002 0.000 2.066 257 R HA -0.063 4.286 4.340 0.015 0.000 0.232 257 R C 2.153 178.475 176.300 0.036 0.000 1.131 257 R CA 1.274 57.387 56.100 0.021 0.000 0.955 257 R CB -0.110 30.183 30.300 -0.011 0.000 0.851 257 R HN 0.085 nan 8.270 nan 0.000 0.432 258 A N 1.432 124.263 122.820 0.019 0.000 1.908 258 A HA -0.205 4.124 4.320 0.015 0.000 0.218 258 A C 1.659 179.272 177.584 0.049 0.000 1.181 258 A CA 1.940 53.996 52.037 0.031 0.000 0.627 258 A CB -0.584 18.425 19.000 0.016 0.000 0.818 258 A HN 0.378 nan 8.150 nan 0.000 0.445 259 D N -0.371 120.057 120.400 0.047 0.000 2.092 259 D HA -0.166 4.484 4.640 0.015 0.000 0.193 259 D C 1.870 178.230 176.300 0.099 0.000 0.994 259 D CA 1.563 55.603 54.000 0.066 0.000 0.828 259 D CB -0.583 40.250 40.800 0.054 0.000 0.963 259 D HN 0.345 nan 8.370 nan 0.000 0.450 260 L N 0.999 122.274 121.223 0.086 0.000 2.012 260 L HA -0.136 4.213 4.340 0.015 0.000 0.210 260 L C 2.164 179.125 176.870 0.151 0.000 1.073 260 L CA 2.014 56.924 54.840 0.117 0.000 0.748 260 L CB -0.889 41.222 42.059 0.087 0.000 0.891 260 L HN -0.002 nan 8.230 nan 0.000 0.431 261 A N -0.280 122.605 122.820 0.108 0.000 1.892 261 A HA -0.274 4.055 4.320 0.015 0.000 0.218 261 A C 2.592 180.225 177.584 0.081 0.000 1.188 261 A CA 3.157 55.248 52.037 0.091 0.000 0.631 261 A CB -1.175 17.867 19.000 0.070 0.000 0.822 261 A HN 0.488 nan 8.150 nan 0.000 0.447 262 K N -1.225 119.224 120.400 0.081 0.000 2.026 262 K HA -0.180 4.149 4.320 0.015 0.000 0.208 262 K C 2.052 178.689 176.600 0.062 0.000 1.048 262 K CA 1.795 58.119 56.287 0.061 0.000 0.929 262 K CB -1.379 31.159 32.500 0.063 0.000 0.713 262 K HN 0.732 nan 8.250 nan 0.000 0.439 263 Y N 0.919 121.220 120.300 0.002 0.000 2.097 263 Y HA -0.181 4.375 4.550 0.011 0.000 0.282 263 Y C 2.152 178.037 175.900 -0.024 0.000 1.152 263 Y CA 1.992 60.087 58.100 -0.008 0.000 1.136 263 Y CB -0.156 38.302 38.460 -0.003 0.000 0.975 263 Y HN 0.212 nan 8.280 nan 0.000 0.498 264 I N -0.781 119.851 120.570 0.103 0.000 2.118 264 I HA -0.446 3.733 4.170 0.015 0.000 0.241 264 I C 2.551 178.580 176.117 -0.147 0.000 1.070 264 I CA 1.677 62.962 61.300 -0.024 0.000 1.327 264 I CB -0.876 37.151 38.000 0.045 0.000 1.034 264 I HN 0.362 nan 8.210 nan 0.000 0.405 265 c N 0.599 119.149 118.600 -0.083 0.000 2.411 265 c HA -0.146 4.433 4.570 0.015 0.000 0.279 265 c C 2.647 176.663 174.090 -0.123 0.000 1.288 265 c CA 0.856 57.135 56.329 -0.083 0.000 1.764 265 c CB -1.161 41.328 42.510 -0.036 0.000 1.974 265 c HN 0.494 nan 8.230 nan 0.000 0.498 266 E N 0.868 120.964 120.200 -0.173 0.000 2.028 266 E HA -0.143 4.216 4.350 0.015 0.000 0.191 266 E C 1.133 177.595 176.600 -0.230 0.000 0.988 266 E CA 1.236 57.525 56.400 -0.185 0.000 0.799 266 E CB -0.239 29.340 29.700 -0.202 0.000 0.755 266 E HN 0.710 nan 8.360 nan 0.000 0.447 267 N N 0.989 119.467 118.700 -0.369 0.000 2.362 267 N HA -0.052 4.697 4.740 0.015 0.000 0.204 267 N C 1.171 176.543 175.510 -0.231 0.000 1.166 267 N CA -0.047 52.809 53.050 -0.322 0.000 0.831 267 N CB 0.147 38.346 38.487 -0.480 0.000 1.008 267 N HN 0.171 nan 8.380 nan 0.000 0.472 268 Q N 1.153 120.836 119.800 -0.195 0.000 2.182 268 Q HA -0.312 4.037 4.340 0.015 0.000 0.213 268 Q C 0.550 176.474 176.000 -0.127 0.000 1.000 268 Q CA 1.820 57.531 55.803 -0.154 0.000 0.889 268 Q CB -0.007 28.667 28.738 -0.107 0.000 0.932 268 Q HN 0.374 nan 8.270 nan 0.000 0.415 269 D N 0.295 120.634 120.400 -0.102 0.000 2.092 269 D HA -0.130 4.519 4.640 0.015 0.000 0.193 269 D C 1.881 178.140 176.300 -0.068 0.000 0.994 269 D CA 1.878 55.836 54.000 -0.071 0.000 0.828 269 D CB -0.325 40.441 40.800 -0.057 0.000 0.963 269 D HN 0.440 nan 8.370 nan 0.000 0.450 270 S N -0.548 115.105 115.700 -0.078 0.000 2.720 270 S HA 0.086 4.565 4.470 0.015 0.000 0.222 270 S C 1.677 176.232 174.600 -0.075 0.000 0.958 270 S CA 0.063 58.228 58.200 -0.057 0.000 0.943 270 S CB -0.219 62.952 63.200 -0.049 0.000 0.779 270 S HN 0.253 nan 8.310 nan 0.000 0.526 271 I N -0.681 119.810 120.570 -0.131 0.000 3.623 271 I HA 0.289 4.468 4.170 0.015 0.000 0.253 271 I C 0.642 176.630 176.117 -0.214 0.000 1.144 271 I CA 0.014 61.170 61.300 -0.239 0.000 1.461 271 I CB 0.555 38.304 38.000 -0.418 0.000 1.575 271 I HN 0.319 nan 8.210 nan 0.000 0.445 272 S N -0.845 114.754 115.700 -0.170 0.000 2.535 272 S HA 0.309 4.788 4.470 0.015 0.000 0.272 272 S C 0.243 174.845 174.600 0.004 0.000 1.149 272 S CA -0.470 57.724 58.200 -0.009 0.000 0.888 272 S CB 1.766 65.043 63.200 0.127 0.000 1.110 272 S HN 0.109 nan 8.310 nan 0.000 0.463 273 S N 2.718 118.439 115.700 0.035 0.000 2.406 273 S HA -0.020 4.459 4.470 0.015 0.000 0.228 273 S C 1.511 176.127 174.600 0.027 0.000 1.020 273 S CA 0.620 58.832 58.200 0.020 0.000 0.965 273 S CB -0.111 63.102 63.200 0.021 0.000 0.798 273 S HN 0.649 nan 8.310 nan 0.000 0.488 274 K N 1.517 121.949 120.400 0.053 0.000 2.504 274 K HA 0.178 4.507 4.320 0.015 0.000 0.195 274 K C 1.416 178.047 176.600 0.051 0.000 1.036 274 K CA 0.343 56.662 56.287 0.054 0.000 0.984 274 K CB -0.449 32.095 32.500 0.073 0.000 0.788 274 K HN 0.397 nan 8.250 nan 0.000 0.488 275 L N 0.938 122.184 121.223 0.038 0.000 2.478 275 L HA -0.085 4.264 4.340 0.015 0.000 0.223 275 L C 2.787 179.661 176.870 0.007 0.000 1.140 275 L CA 0.909 55.761 54.840 0.020 0.000 0.842 275 L CB -0.809 41.236 42.059 -0.022 0.000 0.953 275 L HN 0.138 nan 8.230 nan 0.000 0.452 276 K N 0.803 121.206 120.400 0.005 0.000 2.020 276 K HA -0.265 4.064 4.320 0.015 0.000 0.212 276 K C 2.200 178.806 176.600 0.010 0.000 1.050 276 K CA 2.223 58.511 56.287 0.002 0.000 0.929 276 K CB -1.548 30.953 32.500 0.002 0.000 0.714 276 K HN 0.484 nan 8.250 nan 0.000 0.443 277 E N 0.213 120.423 120.200 0.017 0.000 2.038 277 E HA -0.182 4.177 4.350 0.015 0.000 0.195 277 E C 2.401 179.018 176.600 0.027 0.000 1.000 277 E CA 1.614 58.027 56.400 0.023 0.000 0.803 277 E CB -1.511 28.206 29.700 0.027 0.000 0.750 277 E HN 0.718 nan 8.360 nan 0.000 0.448 278 c N -0.018 118.600 118.600 0.030 0.000 2.385 278 c HA -0.206 4.373 4.570 0.015 0.000 0.275 278 c C 2.922 177.030 174.090 0.029 0.000 1.207 278 c CA 1.086 57.436 56.329 0.034 0.000 1.760 278 c CB -1.241 41.291 42.510 0.036 0.000 2.051 278 c HN 0.818 nan 8.230 nan 0.000 0.467 279 c N 0.430 119.040 118.600 0.018 0.000 2.419 279 c HA -0.008 4.571 4.570 0.015 0.000 0.281 279 c C 2.967 177.065 174.090 0.013 0.000 1.336 279 c CA 1.452 57.788 56.329 0.011 0.000 1.770 279 c CB -1.777 40.730 42.510 -0.006 0.000 1.929 279 c HN 0.812 nan 8.230 nan 0.000 0.509 280 E N 1.910 122.120 120.200 0.016 0.000 2.208 280 E HA -0.118 4.242 4.350 0.015 0.000 0.193 280 E C 1.011 177.625 176.600 0.024 0.000 0.988 280 E CA 0.891 57.301 56.400 0.017 0.000 0.828 280 E CB -0.358 29.352 29.700 0.016 0.000 0.763 280 E HN 0.896 nan 8.360 nan 0.000 0.478 281 K N 0.283 120.702 120.400 0.033 0.000 2.117 281 K HA 0.456 4.785 4.320 0.015 0.000 0.240 281 K C -2.443 174.184 176.600 0.046 0.000 1.031 281 K CA -1.816 54.496 56.287 0.043 0.000 0.909 281 K CB 0.291 32.825 32.500 0.057 0.000 1.097 281 K HN -0.116 nan 8.250 nan 0.000 0.492 282 P HA -0.108 nan 4.420 nan 0.000 0.271 282 P C 0.764 178.103 177.300 0.065 0.000 1.238 282 P CA -0.436 62.697 63.100 0.055 0.000 0.794 282 P CB 0.295 32.030 31.700 0.059 0.000 0.959 283 L N 1.377 122.635 121.223 0.059 0.000 1.944 283 L HA -0.218 4.131 4.340 0.015 0.000 0.218 283 L C 2.060 178.980 176.870 0.084 0.000 1.075 283 L CA 1.980 56.856 54.840 0.061 0.000 0.767 283 L CB -1.454 40.634 42.059 0.048 0.000 0.890 283 L HN 0.312 nan 8.230 nan 0.000 0.434 284 L N -0.895 120.397 121.223 0.115 0.000 1.971 284 L HA -0.266 4.083 4.340 0.015 0.000 0.215 284 L C 2.572 179.557 176.870 0.190 0.000 1.072 284 L CA 1.800 56.750 54.840 0.182 0.000 0.758 284 L CB -0.876 41.346 42.059 0.272 0.000 0.889 284 L HN 0.308 nan 8.230 nan 0.000 0.433 285 E N 0.544 120.882 120.200 0.231 0.000 2.130 285 E HA -0.254 4.105 4.350 0.015 0.000 0.196 285 E C 2.025 178.676 176.600 0.084 0.000 0.998 285 E CA 1.738 58.257 56.400 0.199 0.000 0.806 285 E CB -0.186 29.631 29.700 0.195 0.000 0.738 285 E HN 0.534 nan 8.360 nan 0.000 0.459 286 K N -0.501 119.945 120.400 0.076 0.000 2.296 286 K HA 0.132 4.461 4.320 0.015 0.000 0.200 286 K C 1.883 178.511 176.600 0.046 0.000 1.048 286 K CA 1.184 57.504 56.287 0.055 0.000 0.966 286 K CB 0.185 32.714 32.500 0.049 0.000 0.754 286 K HN -0.117 nan 8.250 nan 0.000 0.466 287 S N 0.709 116.438 115.700 0.049 0.000 2.377 287 S HA -0.115 4.364 4.470 0.015 0.000 0.223 287 S C 1.754 176.366 174.600 0.020 0.000 1.030 287 S CA 1.053 59.285 58.200 0.052 0.000 0.970 287 S CB -0.394 62.846 63.200 0.066 0.000 0.830 287 S HN 0.595 nan 8.310 nan 0.000 0.473 288 H N 0.269 119.233 119.070 -0.176 0.000 2.387 288 H HA -0.061 4.497 4.556 0.004 0.000 0.299 288 H C 2.393 177.604 175.328 -0.196 0.000 1.090 288 H CA 1.753 57.604 56.048 -0.330 0.000 1.332 288 H CB -0.587 28.594 29.762 -0.968 0.000 1.386 288 H HN 0.421 nan 8.280 nan 0.000 0.516 289 c N 0.032 118.615 118.600 -0.029 0.000 2.436 289 c HA -0.107 4.472 4.570 0.015 0.000 0.277 289 c C 2.728 176.802 174.090 -0.026 0.000 1.241 289 c CA 1.172 57.498 56.329 -0.005 0.000 1.721 289 c CB -1.310 41.225 42.510 0.042 0.000 2.043 289 c HN 0.703 nan 8.230 nan 0.000 0.472 290 I N 1.564 122.139 120.570 0.008 0.000 2.226 290 I HA -0.171 4.008 4.170 0.015 0.000 0.245 290 I C 2.861 178.995 176.117 0.028 0.000 1.100 290 I CA 1.676 63.009 61.300 0.055 0.000 1.374 290 I CB -0.736 37.317 38.000 0.089 0.000 1.057 290 I HN 0.412 nan 8.210 nan 0.000 0.413 291 A N 0.245 123.046 122.820 -0.031 0.000 2.024 291 A HA -0.171 4.158 4.320 0.015 0.000 0.220 291 A C 2.067 179.567 177.584 -0.140 0.000 1.164 291 A CA 1.558 53.554 52.037 -0.069 0.000 0.643 291 A CB -0.282 18.665 19.000 -0.088 0.000 0.806 291 A HN 0.402 nan 8.150 nan 0.000 0.451 292 E N -0.083 120.009 120.200 -0.180 0.000 2.476 292 E HA 0.113 4.472 4.350 0.015 0.000 0.199 292 E C 0.742 177.294 176.600 -0.081 0.000 1.021 292 E CA 0.354 56.659 56.400 -0.158 0.000 0.907 292 E CB -0.261 29.313 29.700 -0.209 0.000 0.974 292 E HN 0.537 nan 8.360 nan 0.000 0.489 293 V N 0.186 120.076 119.914 -0.041 0.000 2.975 293 V HA 0.159 4.288 4.120 0.015 0.000 0.300 293 V C 0.339 176.411 176.094 -0.036 0.000 1.186 293 V CA 0.357 62.656 62.300 -0.002 0.000 1.311 293 V CB -0.254 31.617 31.823 0.079 0.000 0.917 293 V HN 0.211 nan 8.190 nan 0.000 0.512 294 E N 2.882 123.071 120.200 -0.018 0.000 2.280 294 E HA 0.401 4.760 4.350 0.015 0.000 0.264 294 E C 0.090 176.662 176.600 -0.046 0.000 1.064 294 E CA -0.929 55.446 56.400 -0.041 0.000 0.900 294 E CB 0.242 29.928 29.700 -0.024 0.000 1.123 294 E HN 0.929 nan 8.360 nan 0.000 0.418 295 N N 2.251 120.905 118.700 -0.076 0.000 2.412 295 N HA 0.036 4.785 4.740 0.015 0.000 0.258 295 N C -0.277 175.219 175.510 -0.024 0.000 1.236 295 N CA -0.035 52.966 53.050 -0.081 0.000 0.882 295 N CB 0.649 39.077 38.487 -0.098 0.000 1.066 295 N HN 0.697 nan 8.380 nan 0.000 0.465 296 D N 1.056 121.468 120.400 0.020 0.000 2.369 296 D HA 0.105 4.754 4.640 0.015 0.000 0.241 296 D C 0.088 176.392 176.300 0.006 0.000 1.271 296 D CA -0.004 54.026 54.000 0.049 0.000 0.942 296 D CB 0.555 41.424 40.800 0.116 0.000 1.129 296 D HN 0.555 nan 8.370 nan 0.000 0.476 297 E N 0.863 121.065 120.200 0.004 0.000 2.390 297 E HA 0.247 4.606 4.350 0.015 0.000 0.261 297 E C 0.124 176.709 176.600 -0.026 0.000 1.076 297 E CA -0.361 56.028 56.400 -0.018 0.000 0.905 297 E CB 0.390 30.082 29.700 -0.014 0.000 0.984 297 E HN 0.543 nan 8.360 nan 0.000 0.427 298 M N 2.336 121.905 119.600 -0.052 0.000 2.188 298 M HA 0.388 4.877 4.480 0.015 0.000 0.357 298 M C -2.285 173.978 176.300 -0.062 0.000 1.204 298 M CA -1.567 53.690 55.300 -0.071 0.000 1.095 298 M CB 1.231 33.762 32.600 -0.114 0.000 1.604 298 M HN 0.283 nan 8.290 nan 0.000 0.464 299 P HA 0.055 nan 4.420 nan 0.000 0.267 299 P C -0.565 176.700 177.300 -0.059 0.000 1.201 299 P CA 0.026 63.100 63.100 -0.042 0.000 0.775 299 P CB 0.612 32.293 31.700 -0.032 0.000 0.854 300 A N 2.719 125.511 122.820 -0.046 0.000 2.773 300 A HA -0.026 4.303 4.320 0.015 0.000 0.185 300 A C 0.254 177.805 177.584 -0.056 0.000 1.559 300 A CA 0.561 52.568 52.037 -0.050 0.000 0.663 300 A CB -1.124 17.854 19.000 -0.037 0.000 1.098 300 A HN 0.564 nan 8.150 nan 0.000 0.495 301 D N 1.185 121.560 120.400 -0.043 0.000 2.389 301 D HA 0.215 4.864 4.640 0.015 0.000 0.278 301 D C -0.773 175.500 176.300 -0.045 0.000 1.398 301 D CA 0.794 54.769 54.000 -0.042 0.000 1.090 301 D CB -0.155 40.628 40.800 -0.029 0.000 1.108 301 D HN 0.201 nan 8.370 nan 0.000 0.532 302 L N 4.386 125.571 121.223 -0.063 0.000 2.296 302 L HA 0.281 4.630 4.340 0.015 0.000 0.286 302 L C -1.630 175.203 176.870 -0.062 0.000 1.023 302 L CA -1.848 52.951 54.840 -0.068 0.000 0.812 302 L CB 1.531 43.527 42.059 -0.105 0.000 1.223 302 L HN 0.112 nan 8.230 nan 0.000 0.421 303 P HA -0.011 nan 4.420 nan 0.000 0.263 303 P C -0.202 177.074 177.300 -0.039 0.000 1.175 303 P CA -0.194 62.888 63.100 -0.031 0.000 0.761 303 P CB 0.596 32.287 31.700 -0.015 0.000 0.794 304 S N 2.499 118.178 115.700 -0.036 0.000 2.566 304 S HA 0.003 4.482 4.470 0.015 0.000 0.280 304 S C 1.404 176.002 174.600 -0.003 0.000 1.343 304 S CA -0.428 57.750 58.200 -0.037 0.000 1.036 304 S CB 0.228 63.405 63.200 -0.040 0.000 0.866 304 S HN 0.417 nan 8.310 nan 0.000 0.526 305 L N 2.360 123.593 121.223 0.016 0.000 2.072 305 L HA 0.006 4.355 4.340 0.015 0.000 0.205 305 L C 3.005 180.026 176.870 0.252 0.000 1.079 305 L CA 1.397 56.328 54.840 0.152 0.000 0.752 305 L CB -1.050 41.053 42.059 0.074 0.000 0.906 305 L HN 0.970 nan 8.230 nan 0.000 0.436 306 A N 0.162 122.994 122.820 0.021 0.000 1.958 306 A HA -0.306 4.023 4.320 0.015 0.000 0.221 306 A C 2.516 180.119 177.584 0.032 0.000 1.178 306 A CA 1.981 53.944 52.037 -0.123 0.000 0.642 306 A CB -0.861 17.901 19.000 -0.397 0.000 0.816 306 A HN 0.446 nan 8.150 nan 0.000 0.453 307 A N -0.051 122.777 122.820 0.013 0.000 1.869 307 A HA -0.283 4.046 4.320 0.015 0.000 0.218 307 A C 1.753 179.332 177.584 -0.008 0.000 1.203 307 A CA 2.240 54.281 52.037 0.006 0.000 0.638 307 A CB -0.687 18.307 19.000 -0.010 0.000 0.831 307 A HN 0.482 nan 8.150 nan 0.000 0.450 308 D N -2.234 118.117 120.400 -0.082 0.000 2.333 308 D HA 0.122 4.771 4.640 0.015 0.000 0.208 308 D C 0.822 176.859 176.300 -0.439 0.000 0.984 308 D CA 0.623 54.440 54.000 -0.305 0.000 0.873 308 D CB -0.032 40.443 40.800 -0.543 0.000 0.935 308 D HN 0.495 nan 8.370 nan 0.000 0.521 309 F N -0.804 119.285 119.950 0.233 0.000 2.682 309 F HA 0.168 4.704 4.527 0.015 0.000 0.308 309 F C 1.674 177.684 175.800 0.350 0.000 1.093 309 F CA -0.037 58.173 58.000 0.350 0.000 1.244 309 F CB 0.720 39.901 39.000 0.303 0.000 1.052 309 F HN -0.210 nan 8.300 nan 0.000 0.573 310 V N -1.657 118.475 119.914 0.363 0.000 3.261 310 V HA 0.035 4.164 4.120 0.015 0.000 0.212 310 V C 1.691 178.033 176.094 0.414 0.000 1.381 310 V CA 0.286 62.807 62.300 0.368 0.000 1.322 310 V CB 0.133 32.101 31.823 0.242 0.000 1.188 310 V HN -0.012 nan 8.190 nan 0.000 0.520 311 E N 0.831 121.182 120.200 0.251 0.000 2.152 311 E HA -0.025 4.334 4.350 0.015 0.000 0.192 311 E C 1.287 177.972 176.600 0.143 0.000 0.983 311 E CA 0.863 57.398 56.400 0.225 0.000 0.818 311 E CB 0.091 29.854 29.700 0.106 0.000 0.758 311 E HN 0.435 nan 8.360 nan 0.000 0.467 312 S N -0.123 115.647 115.700 0.117 0.000 2.569 312 S HA 0.098 4.577 4.470 0.015 0.000 0.274 312 S C 1.049 175.698 174.600 0.082 0.000 1.353 312 S CA 0.714 58.950 58.200 0.060 0.000 1.023 312 S CB 1.167 64.389 63.200 0.037 0.000 0.876 312 S HN 0.229 nan 8.310 nan 0.000 0.540 313 K N 1.559 121.971 120.400 0.021 0.000 2.323 313 K HA 0.173 4.502 4.320 0.015 0.000 0.197 313 K C 1.038 177.669 176.600 0.051 0.000 1.043 313 K CA 1.210 57.508 56.287 0.019 0.000 0.997 313 K CB -0.713 31.765 32.500 -0.036 0.000 0.807 313 K HN 0.847 nan 8.250 nan 0.000 0.497 314 D N 0.298 120.712 120.400 0.024 0.000 2.319 314 D HA 0.072 4.721 4.640 0.015 0.000 0.230 314 D C 1.368 177.623 176.300 -0.075 0.000 1.094 314 D CA 0.113 54.104 54.000 -0.016 0.000 0.856 314 D CB 0.529 41.311 40.800 -0.029 0.000 0.915 314 D HN 0.133 nan 8.370 nan 0.000 0.517 315 V N 0.020 119.929 119.914 -0.009 0.000 2.252 315 V HA -0.354 3.775 4.120 0.015 0.000 0.249 315 V C 2.328 178.289 176.094 -0.221 0.000 1.056 315 V CA 1.468 63.705 62.300 -0.105 0.000 1.022 315 V CB -0.470 31.260 31.823 -0.154 0.000 0.641 315 V HN 0.476 nan 8.190 nan 0.000 0.445 316 c N -0.577 118.012 118.600 -0.017 0.000 2.450 316 c HA -0.076 4.503 4.570 0.015 0.000 0.279 316 c C 2.781 176.865 174.090 -0.010 0.000 1.335 316 c CA 0.998 57.350 56.329 0.039 0.000 1.749 316 c CB -0.851 41.743 42.510 0.140 0.000 1.963 316 c HN 0.627 nan 8.230 nan 0.000 0.501 317 K N 1.292 121.660 120.400 -0.053 0.000 2.026 317 K HA -0.156 4.173 4.320 0.015 0.000 0.208 317 K C 1.678 178.198 176.600 -0.134 0.000 1.048 317 K CA 1.693 57.942 56.287 -0.065 0.000 0.929 317 K CB -0.257 32.214 32.500 -0.048 0.000 0.713 317 K HN 0.443 nan 8.250 nan 0.000 0.439 318 N N 0.052 118.581 118.700 -0.285 0.000 2.188 318 N HA -0.181 4.568 4.740 0.015 0.000 0.184 318 N C 1.725 177.001 175.510 -0.390 0.000 1.018 318 N CA 1.001 53.807 53.050 -0.407 0.000 0.858 318 N CB -0.470 37.566 38.487 -0.751 0.000 0.989 318 N HN 0.287 nan 8.380 nan 0.000 0.426 319 Y N 1.951 121.911 120.300 -0.568 0.000 2.114 319 Y HA -0.146 4.413 4.550 0.015 0.000 0.284 319 Y C 2.361 178.216 175.900 -0.075 0.000 1.143 319 Y CA 1.559 59.523 58.100 -0.226 0.000 1.135 319 Y CB -0.689 37.679 38.460 -0.155 0.000 0.980 319 Y HN 0.062 nan 8.280 nan 0.000 0.499 320 A N 0.363 123.085 122.820 -0.164 0.000 1.832 320 A HA -0.158 4.171 4.320 0.015 0.000 0.214 320 A C 2.096 179.593 177.584 -0.144 0.000 1.200 320 A CA 1.764 53.684 52.037 -0.194 0.000 0.610 320 A CB -0.835 18.123 19.000 -0.069 0.000 0.842 320 A HN 0.474 nan 8.150 nan 0.000 0.444 321 E N -0.459 119.688 120.200 -0.089 0.000 2.187 321 E HA -0.128 4.231 4.350 0.015 0.000 0.199 321 E C 0.845 177.430 176.600 -0.025 0.000 1.004 321 E CA 1.355 57.725 56.400 -0.049 0.000 0.813 321 E CB -0.260 29.418 29.700 -0.036 0.000 0.736 321 E HN 0.638 nan 8.360 nan 0.000 0.468 322 A N -0.178 122.630 122.820 -0.021 0.000 3.367 322 A HA 0.100 4.429 4.320 0.015 0.000 0.208 322 A C 1.235 178.885 177.584 0.111 0.000 1.043 322 A CA 0.322 52.391 52.037 0.052 0.000 1.079 322 A CB -0.086 18.980 19.000 0.110 0.000 1.314 322 A HN 0.027 nan 8.150 nan 0.000 0.668 323 K N -0.322 120.073 120.400 -0.008 0.000 2.052 323 K HA -0.261 4.068 4.320 0.015 0.000 0.215 323 K C 1.184 177.918 176.600 0.224 0.000 1.053 323 K CA 2.104 58.427 56.287 0.059 0.000 0.934 323 K CB -1.024 31.291 32.500 -0.308 0.000 0.717 323 K HN 0.493 nan 8.250 nan 0.000 0.450 324 D N 0.221 120.711 120.400 0.149 0.000 2.123 324 D HA -0.065 4.584 4.640 0.015 0.000 0.196 324 D C 2.034 178.478 176.300 0.240 0.000 0.992 324 D CA 1.712 55.820 54.000 0.181 0.000 0.833 324 D CB -0.253 40.629 40.800 0.137 0.000 0.954 324 D HN 0.286 nan 8.370 nan 0.000 0.455 325 V N 0.471 120.539 119.914 0.257 0.000 2.283 325 V HA -0.184 3.946 4.120 0.015 0.000 0.243 325 V C 2.214 178.490 176.094 0.304 0.000 1.039 325 V CA 1.218 63.703 62.300 0.309 0.000 1.016 325 V CB -0.667 31.329 31.823 0.287 0.000 0.650 325 V HN 0.121 nan 8.190 nan 0.000 0.449 326 F N 0.266 120.336 119.950 0.199 0.000 2.087 326 F HA -0.261 4.275 4.527 0.016 0.000 0.299 326 F C 2.146 178.137 175.800 0.319 0.000 1.100 326 F CA 1.841 60.002 58.000 0.269 0.000 1.226 326 F CB -0.067 39.111 39.000 0.296 0.000 0.983 326 F HN 0.019 nan 8.300 nan 0.000 0.479 327 L N -0.562 120.850 121.223 0.315 0.000 2.156 327 L HA -0.110 4.239 4.340 0.015 0.000 0.208 327 L C 2.716 179.654 176.870 0.112 0.000 1.095 327 L CA 1.139 56.099 54.840 0.200 0.000 0.770 327 L CB -1.544 40.675 42.059 0.266 0.000 0.914 327 L HN 0.340 nan 8.230 nan 0.000 0.439 328 G N -0.478 108.394 108.800 0.120 0.000 2.422 328 G HA2 -0.218 3.752 3.960 0.015 0.000 0.218 328 G HA3 -0.218 3.752 3.960 0.015 0.000 0.218 328 G C 1.645 176.389 174.900 -0.260 0.000 1.140 328 G CA 0.214 45.377 45.100 0.104 0.000 0.775 328 G HN 0.077 nan 8.290 nan 0.000 0.545 329 M N -0.384 118.943 119.600 -0.454 0.000 2.132 329 M HA 0.061 4.550 4.480 0.015 0.000 0.263 329 M C 2.330 178.463 176.300 -0.278 0.000 1.065 329 M CA 0.866 55.828 55.300 -0.563 0.000 1.122 329 M CB -0.810 31.657 32.600 -0.222 0.000 1.365 329 M HN 0.307 nan 8.290 nan 0.000 0.411 330 F N 1.124 120.753 119.950 -0.535 0.000 2.102 330 F HA -0.261 4.275 4.527 0.015 0.000 0.298 330 F C 2.130 177.632 175.800 -0.496 0.000 1.105 330 F CA 1.378 58.823 58.000 -0.926 0.000 1.239 330 F CB -0.392 38.037 39.000 -0.952 0.000 0.991 330 F HN -0.011 nan 8.300 nan 0.000 0.474 331 L N -0.130 121.018 121.223 -0.125 0.000 1.970 331 L HA -0.237 4.112 4.340 0.015 0.000 0.212 331 L C 2.327 179.101 176.870 -0.160 0.000 1.071 331 L CA 2.249 57.020 54.840 -0.115 0.000 0.751 331 L CB -1.596 40.471 42.059 0.013 0.000 0.889 331 L HN 0.401 nan 8.230 nan 0.000 0.432 332 Y N 0.512 120.703 120.300 -0.182 0.000 2.069 332 Y HA -0.327 4.231 4.550 0.014 0.000 0.278 332 Y C 2.442 178.242 175.900 -0.166 0.000 1.175 332 Y CA 2.386 60.422 58.100 -0.107 0.000 1.134 332 Y CB -0.390 38.023 38.460 -0.079 0.000 0.965 332 Y HN 0.322 nan 8.280 nan 0.000 0.498 333 E N -0.741 119.155 120.200 -0.507 0.000 2.051 333 E HA -0.234 4.125 4.350 0.015 0.000 0.192 333 E C 2.157 178.437 176.600 -0.534 0.000 0.991 333 E CA 1.586 57.646 56.400 -0.567 0.000 0.799 333 E CB -0.995 28.499 29.700 -0.344 0.000 0.748 333 E HN 0.628 nan 8.360 nan 0.000 0.449 334 Y N 1.165 121.061 120.300 -0.675 0.000 2.114 334 Y HA -0.198 4.361 4.550 0.015 0.000 0.284 334 Y C 2.388 178.066 175.900 -0.370 0.000 1.143 334 Y CA 1.460 59.218 58.100 -0.570 0.000 1.135 334 Y CB -0.684 37.279 38.460 -0.828 0.000 0.980 334 Y HN 0.032 nan 8.280 nan 0.000 0.499 335 A N 1.102 123.832 122.820 -0.150 0.000 1.873 335 A HA -0.290 4.039 4.320 0.015 0.000 0.218 335 A C 2.327 179.784 177.584 -0.212 0.000 1.193 335 A CA 2.508 54.449 52.037 -0.159 0.000 0.629 335 A CB -0.924 17.968 19.000 -0.181 0.000 0.826 335 A HN 0.611 nan 8.150 nan 0.000 0.447 336 R N 0.264 120.579 120.500 -0.308 0.000 2.127 336 R HA -0.177 4.172 4.340 0.015 0.000 0.238 336 R C 1.766 177.887 176.300 -0.298 0.000 1.134 336 R CA 1.709 57.626 56.100 -0.304 0.000 0.975 336 R CB -0.489 29.556 30.300 -0.425 0.000 0.865 336 R HN 0.680 nan 8.270 nan 0.000 0.447 337 R N -0.310 119.970 120.500 -0.367 0.000 2.359 337 R HA 0.153 4.502 4.340 0.015 0.000 0.231 337 R C -0.235 175.643 176.300 -0.704 0.000 0.913 337 R CA -0.024 55.794 56.100 -0.470 0.000 1.075 337 R CB 0.202 30.200 30.300 -0.503 0.000 1.087 337 R HN 0.277 nan 8.270 nan 0.000 0.515 338 H N 0.705 119.565 119.070 -0.350 0.000 2.439 338 H HA 0.242 4.807 4.556 0.015 0.000 0.228 338 H C -2.252 172.899 175.328 -0.295 0.000 1.423 338 H CA -1.878 53.901 56.048 -0.448 0.000 1.386 338 H CB 1.865 31.184 29.762 -0.738 0.000 1.641 338 H HN 0.075 nan 8.280 nan 0.000 0.508 339 P HA -0.073 nan 4.420 nan 0.000 0.237 339 P C 1.124 178.396 177.300 -0.047 0.000 1.178 339 P CA 0.791 63.827 63.100 -0.106 0.000 0.766 339 P CB 0.326 31.954 31.700 -0.121 0.000 0.876 340 D N -2.568 117.825 120.400 -0.012 0.000 2.328 340 D HA -0.059 4.590 4.640 0.015 0.000 0.221 340 D C -0.232 176.251 176.300 0.305 0.000 1.072 340 D CA 0.109 54.166 54.000 0.094 0.000 0.850 340 D CB -0.251 40.609 40.800 0.100 0.000 0.922 340 D HN 0.112 nan 8.370 nan 0.000 0.516 341 Y N 1.687 121.967 120.300 -0.033 0.000 2.364 341 Y HA 0.280 4.839 4.550 0.014 0.000 0.340 341 Y C 0.630 176.457 175.900 -0.121 0.000 0.975 341 Y CA -2.386 55.661 58.100 -0.089 0.000 1.089 341 Y CB 1.695 40.074 38.460 -0.136 0.000 1.192 341 Y HN -0.119 nan 8.280 nan 0.000 0.454 342 S N 0.784 116.488 115.700 0.006 0.000 2.568 342 S HA 0.118 4.597 4.470 0.015 0.000 0.282 342 S C 1.082 175.614 174.600 -0.115 0.000 1.338 342 S CA -0.598 57.571 58.200 -0.051 0.000 1.045 342 S CB 0.992 64.162 63.200 -0.051 0.000 0.873 342 S HN 0.462 nan 8.310 nan 0.000 0.516 343 V N 2.749 122.542 119.914 -0.201 0.000 2.392 343 V HA -0.189 3.940 4.120 0.015 0.000 0.249 343 V C 2.535 178.504 176.094 -0.207 0.000 1.059 343 V CA 1.987 64.070 62.300 -0.362 0.000 1.051 343 V CB -1.075 30.213 31.823 -0.891 0.000 0.658 343 V HN 0.922 nan 8.190 nan 0.000 0.455 344 V N -1.549 118.309 119.914 -0.093 0.000 2.515 344 V HA -0.175 3.954 4.120 0.015 0.000 0.250 344 V C 2.344 178.364 176.094 -0.123 0.000 1.058 344 V CA 1.902 64.169 62.300 -0.054 0.000 1.064 344 V CB -0.904 30.911 31.823 -0.015 0.000 0.675 344 V HN 0.462 nan 8.190 nan 0.000 0.461 345 L N 0.338 121.466 121.223 -0.158 0.000 2.017 345 L HA -0.039 4.310 4.340 0.015 0.000 0.208 345 L C 2.322 179.018 176.870 -0.289 0.000 1.073 345 L CA 1.922 56.621 54.840 -0.234 0.000 0.745 345 L CB -0.815 41.062 42.059 -0.303 0.000 0.894 345 L HN 0.282 nan 8.230 nan 0.000 0.432 346 L N -1.101 119.965 121.223 -0.262 0.000 2.079 346 L HA -0.246 4.103 4.340 0.015 0.000 0.210 346 L C 2.562 179.253 176.870 -0.297 0.000 1.081 346 L CA 1.284 55.928 54.840 -0.328 0.000 0.752 346 L CB -0.544 41.364 42.059 -0.251 0.000 0.896 346 L HN 0.323 nan 8.230 nan 0.000 0.433 347 L N -0.789 120.314 121.223 -0.200 0.000 2.083 347 L HA -0.214 4.135 4.340 0.015 0.000 0.209 347 L C 2.803 179.589 176.870 -0.139 0.000 1.083 347 L CA 1.266 56.028 54.840 -0.131 0.000 0.752 347 L CB -0.437 41.581 42.059 -0.069 0.000 0.899 347 L HN 0.212 nan 8.230 nan 0.000 0.433 348 R N -0.089 120.309 120.500 -0.170 0.000 2.066 348 R HA -0.116 4.233 4.340 0.015 0.000 0.232 348 R C 2.297 178.478 176.300 -0.197 0.000 1.131 348 R CA 1.142 57.150 56.100 -0.153 0.000 0.955 348 R CB -0.417 29.790 30.300 -0.155 0.000 0.851 348 R HN 0.278 nan 8.270 nan 0.000 0.432 349 L N 0.271 121.271 121.223 -0.371 0.000 2.012 349 L HA -0.189 4.160 4.340 0.015 0.000 0.210 349 L C 2.728 179.390 176.870 -0.346 0.000 1.073 349 L CA 1.396 55.851 54.840 -0.642 0.000 0.748 349 L CB -0.757 40.557 42.059 -1.242 0.000 0.891 349 L HN 0.276 nan 8.230 nan 0.000 0.431 350 A N 0.257 122.949 122.820 -0.213 0.000 1.908 350 A HA -0.275 4.054 4.320 0.015 0.000 0.218 350 A C 2.317 179.883 177.584 -0.030 0.000 1.181 350 A CA 2.159 54.175 52.037 -0.035 0.000 0.627 350 A CB -0.453 18.557 19.000 0.017 0.000 0.818 350 A HN 0.246 nan 8.150 nan 0.000 0.445 351 K N -0.417 119.959 120.400 -0.041 0.000 2.097 351 K HA -0.084 4.246 4.320 0.015 0.000 0.206 351 K C 1.935 178.538 176.600 0.004 0.000 1.049 351 K CA 2.248 58.528 56.287 -0.013 0.000 0.933 351 K CB -0.880 31.606 32.500 -0.024 0.000 0.717 351 K HN 0.412 nan 8.250 nan 0.000 0.442 352 T N -0.086 114.490 114.554 0.036 0.000 2.821 352 T HA -0.125 4.234 4.350 0.015 0.000 0.267 352 T C 1.300 176.073 174.700 0.121 0.000 1.046 352 T CA 1.296 63.461 62.100 0.109 0.000 1.139 352 T CB -0.510 68.504 68.868 0.243 0.000 0.871 352 T HN 0.268 nan 8.240 nan 0.000 0.454 353 Y N 2.017 122.306 120.300 -0.018 0.000 2.128 353 Y HA -0.153 4.406 4.550 0.015 0.000 0.284 353 Y C 2.482 178.243 175.900 -0.231 0.000 1.154 353 Y CA 1.673 59.660 58.100 -0.188 0.000 1.149 353 Y CB -0.322 37.709 38.460 -0.715 0.000 0.976 353 Y HN 0.286 nan 8.280 nan 0.000 0.505 354 E N -1.135 118.939 120.200 -0.211 0.000 2.077 354 E HA -0.185 4.174 4.350 0.015 0.000 0.193 354 E C 1.962 178.425 176.600 -0.228 0.000 0.989 354 E CA 1.857 58.107 56.400 -0.248 0.000 0.800 354 E CB -0.139 29.544 29.700 -0.028 0.000 0.746 354 E HN 0.476 nan 8.360 nan 0.000 0.452 355 T N 0.233 114.717 114.554 -0.116 0.000 2.652 355 T HA -0.160 4.199 4.350 0.015 0.000 0.267 355 T C 1.897 176.524 174.700 -0.121 0.000 1.039 355 T CA 1.953 64.006 62.100 -0.078 0.000 1.153 355 T CB -0.620 68.227 68.868 -0.034 0.000 0.863 355 T HN 0.252 nan 8.240 nan 0.000 0.428 356 T N 2.315 116.782 114.554 -0.145 0.000 2.759 356 T HA 0.019 4.378 4.350 0.015 0.000 0.269 356 T C 1.909 176.492 174.700 -0.196 0.000 1.042 356 T CA 0.868 62.887 62.100 -0.136 0.000 1.140 356 T CB -0.359 68.444 68.868 -0.108 0.000 0.864 356 T HN 0.272 nan 8.240 nan 0.000 0.455 357 L N 0.424 121.399 121.223 -0.412 0.000 2.179 357 L HA 0.043 4.392 4.340 0.015 0.000 0.208 357 L C 2.733 179.373 176.870 -0.383 0.000 1.096 357 L CA 0.937 55.467 54.840 -0.517 0.000 0.779 357 L CB -0.442 40.997 42.059 -1.033 0.000 0.922 357 L HN 0.206 nan 8.230 nan 0.000 0.443 358 E N 1.399 121.416 120.200 -0.305 0.000 2.160 358 E HA -0.222 4.137 4.350 0.015 0.000 0.195 358 E C 2.210 178.806 176.600 -0.007 0.000 0.991 358 E CA 2.168 58.534 56.400 -0.057 0.000 0.810 358 E CB 0.078 29.779 29.700 0.001 0.000 0.742 358 E HN 0.327 nan 8.360 nan 0.000 0.466 359 K N -0.388 119.989 120.400 -0.037 0.000 2.121 359 K HA 0.085 4.414 4.320 0.015 0.000 0.203 359 K C 2.413 179.014 176.600 0.000 0.000 1.041 359 K CA 0.808 57.089 56.287 -0.010 0.000 0.969 359 K CB -1.153 31.336 32.500 -0.017 0.000 0.799 359 K HN 0.291 nan 8.250 nan 0.000 0.456 360 c N 0.537 119.137 118.600 0.001 0.000 2.401 360 c HA -0.151 4.428 4.570 0.015 0.000 0.276 360 c C 2.743 176.870 174.090 0.061 0.000 1.233 360 c CA 0.986 57.338 56.329 0.038 0.000 1.753 360 c CB -1.078 41.513 42.510 0.136 0.000 2.029 360 c HN 0.748 nan 8.230 nan 0.000 0.478 361 c N 0.725 119.370 118.600 0.076 0.000 2.491 361 c HA 0.137 4.716 4.570 0.015 0.000 0.277 361 c C 2.666 176.798 174.090 0.070 0.000 1.455 361 c CA 0.873 57.262 56.329 0.100 0.000 1.758 361 c CB -1.839 40.750 42.510 0.132 0.000 1.745 361 c HN 0.733 nan 8.230 nan 0.000 0.558 362 A N 0.241 123.090 122.820 0.048 0.000 2.085 362 A HA 0.575 4.904 4.320 0.015 0.000 0.208 362 A C 1.463 179.058 177.584 0.018 0.000 1.191 362 A CA 0.744 52.802 52.037 0.035 0.000 0.799 362 A CB -0.486 18.534 19.000 0.032 0.000 0.877 362 A HN 0.472 nan 8.150 nan 0.000 0.473 363 A N -0.380 122.446 122.820 0.009 0.000 2.482 363 A HA 0.437 4.766 4.320 0.015 0.000 0.249 363 A C 1.744 179.322 177.584 -0.010 0.000 1.114 363 A CA 0.498 52.531 52.037 -0.007 0.000 0.797 363 A CB -0.403 18.582 19.000 -0.025 0.000 1.067 363 A HN 1.246 nan 8.150 nan 0.000 0.514 364 A N -0.137 122.672 122.820 -0.017 0.000 1.827 364 A HA 0.000 4.329 4.320 0.015 0.000 0.215 364 A C 1.031 178.602 177.584 -0.021 0.000 1.212 364 A CA 2.093 54.121 52.037 -0.016 0.000 0.624 364 A CB -0.671 18.318 19.000 -0.019 0.000 0.853 364 A HN 0.887 nan 8.150 nan 0.000 0.450 365 D N -1.231 119.146 120.400 -0.038 0.000 2.485 365 D HA 0.442 5.091 4.640 0.015 0.000 0.229 365 D C -2.013 174.226 176.300 -0.102 0.000 1.101 365 D CA -2.094 51.878 54.000 -0.047 0.000 0.906 365 D CB 1.117 41.894 40.800 -0.039 0.000 1.019 365 D HN -0.038 nan 8.370 nan 0.000 0.516 366 P HA -0.221 nan 4.420 nan 0.000 0.216 366 P C 0.982 177.890 177.300 -0.653 0.000 1.154 366 P CA 1.122 64.092 63.100 -0.216 0.000 0.865 366 P CB 0.087 31.777 31.700 -0.016 0.000 0.789 367 H N -0.076 118.655 119.070 -0.565 0.000 2.390 367 H HA -0.145 4.420 4.556 0.015 0.000 0.298 367 H C 1.757 176.781 175.328 -0.506 0.000 1.106 367 H CA 1.720 57.389 56.048 -0.632 0.000 1.297 367 H CB -0.270 29.358 29.762 -0.224 0.000 1.375 367 H HN 0.054 nan 8.280 nan 0.000 0.509 368 E N -0.509 119.427 120.200 -0.441 0.000 2.076 368 E HA -0.125 4.234 4.350 0.015 0.000 0.190 368 E C 2.692 179.109 176.600 -0.306 0.000 0.979 368 E CA 0.860 57.037 56.400 -0.370 0.000 0.807 368 E CB -1.138 28.443 29.700 -0.199 0.000 0.761 368 E HN 0.500 nan 8.360 nan 0.000 0.454 369 c N 1.691 120.124 118.600 -0.279 0.000 2.393 369 c HA -0.191 4.388 4.570 0.015 0.000 0.276 369 c C 2.529 176.560 174.090 -0.099 0.000 1.215 369 c CA 1.466 57.693 56.329 -0.169 0.000 1.743 369 c CB -1.203 41.230 42.510 -0.129 0.000 2.044 369 c HN 0.552 nan 8.230 nan 0.000 0.464 370 Y N 0.862 121.133 120.300 -0.048 0.000 2.532 370 Y HA 0.636 5.196 4.550 0.016 0.000 0.283 370 Y C 1.667 177.569 175.900 0.004 0.000 1.181 370 Y CA -0.344 57.739 58.100 -0.029 0.000 1.256 370 Y CB -1.598 36.843 38.460 -0.031 0.000 1.112 370 Y HN 0.243 nan 8.280 nan 0.000 0.521 371 A N 1.077 123.911 122.820 0.023 0.000 1.877 371 A HA -0.094 4.235 4.320 0.015 0.000 0.216 371 A C 1.766 179.388 177.584 0.064 0.000 1.186 371 A CA 1.306 53.341 52.037 -0.004 0.000 0.620 371 A CB -0.505 18.331 19.000 -0.274 0.000 0.822 371 A HN 0.213 nan 8.150 nan 0.000 0.443 372 K N -0.149 120.269 120.400 0.030 0.000 2.827 372 K HA 0.327 4.656 4.320 0.015 0.000 0.222 372 K C 1.008 177.632 176.600 0.040 0.000 1.114 372 K CA 0.435 56.742 56.287 0.035 0.000 1.206 372 K CB -0.229 32.270 32.500 -0.001 0.000 1.035 372 K HN 0.378 nan 8.250 nan 0.000 0.464 373 V N -0.215 119.759 119.914 0.100 0.000 2.515 373 V HA -0.112 4.017 4.120 0.015 0.000 0.250 373 V C 1.408 177.289 176.094 -0.354 0.000 1.058 373 V CA 1.766 64.045 62.300 -0.035 0.000 1.064 373 V CB -0.533 31.369 31.823 0.132 0.000 0.675 373 V HN 0.571 nan 8.190 nan 0.000 0.461 374 F N 0.897 120.635 119.950 -0.354 0.000 2.365 374 F HA -0.060 4.476 4.527 0.015 0.000 0.300 374 F C 1.994 177.654 175.800 -0.233 0.000 1.090 374 F CA 1.617 59.403 58.000 -0.357 0.000 1.408 374 F CB -0.720 38.292 39.000 0.020 0.000 1.060 374 F HN 0.312 nan 8.300 nan 0.000 0.534 375 D N -0.032 120.373 120.400 0.008 0.000 2.117 375 D HA -0.164 4.485 4.640 0.015 0.000 0.197 375 D C 1.946 178.225 176.300 -0.035 0.000 0.987 375 D CA 1.367 55.375 54.000 0.013 0.000 0.829 375 D CB -0.220 40.587 40.800 0.010 0.000 0.961 375 D HN 0.317 nan 8.370 nan 0.000 0.460 376 E N -0.780 119.342 120.200 -0.129 0.000 2.409 376 E HA -0.110 4.249 4.350 0.015 0.000 0.198 376 E C 1.218 177.843 176.600 0.042 0.000 1.024 376 E CA 0.259 56.614 56.400 -0.075 0.000 0.861 376 E CB 0.035 29.679 29.700 -0.094 0.000 0.788 376 E HN 0.310 nan 8.360 nan 0.000 0.521 377 F N 1.101 121.039 119.950 -0.020 0.000 2.219 377 F HA -0.043 4.494 4.527 0.016 0.000 0.294 377 F C 2.794 178.548 175.800 -0.076 0.000 1.086 377 F CA 0.985 58.931 58.000 -0.089 0.000 1.330 377 F CB -1.271 37.636 39.000 -0.155 0.000 1.047 377 F HN -0.040 nan 8.300 nan 0.000 0.495 378 K N 0.794 121.292 120.400 0.164 0.000 2.066 378 K HA -0.259 4.070 4.320 0.015 0.000 0.221 378 K C -0.112 176.508 176.600 0.033 0.000 1.056 378 K CA 2.663 59.004 56.287 0.088 0.000 0.950 378 K CB -2.808 29.740 32.500 0.080 0.000 0.726 378 K HN 0.248 nan 8.250 nan 0.000 0.456 379 P HA -0.084 nan 4.420 nan 0.000 0.215 379 P C 1.462 178.747 177.300 -0.024 0.000 1.157 379 P CA 0.991 64.093 63.100 0.004 0.000 0.868 379 P CB -0.054 31.651 31.700 0.009 0.000 0.788 380 L N -1.498 119.711 121.223 -0.022 0.000 2.265 380 L HA -0.109 4.240 4.340 0.015 0.000 0.215 380 L C 2.087 178.862 176.870 -0.159 0.000 1.117 380 L CA 1.001 55.795 54.840 -0.076 0.000 0.782 380 L CB -0.583 41.436 42.059 -0.067 0.000 0.914 380 L HN -0.090 nan 8.230 nan 0.000 0.441 381 V N -0.892 118.924 119.914 -0.164 0.000 2.725 381 V HA -0.115 4.014 4.120 0.015 0.000 0.247 381 V C 2.127 178.104 176.094 -0.194 0.000 1.058 381 V CA 1.068 63.197 62.300 -0.286 0.000 1.080 381 V CB 0.011 31.667 31.823 -0.278 0.000 0.713 381 V HN 0.382 nan 8.190 nan 0.000 0.465 382 E N -0.174 119.967 120.200 -0.099 0.000 2.112 382 E HA -0.170 4.189 4.350 0.015 0.000 0.190 382 E C 2.253 178.820 176.600 -0.056 0.000 0.979 382 E CA 0.736 57.100 56.400 -0.059 0.000 0.814 382 E CB -0.073 29.613 29.700 -0.024 0.000 0.762 382 E HN 0.451 nan 8.360 nan 0.000 0.460 383 E N 0.836 121.000 120.200 -0.059 0.000 2.065 383 E HA -0.195 4.165 4.350 0.015 0.000 0.201 383 E C -0.701 175.872 176.600 -0.045 0.000 1.016 383 E CA 1.843 58.216 56.400 -0.045 0.000 0.818 383 E CB -0.956 28.715 29.700 -0.048 0.000 0.749 383 E HN 0.181 nan 8.360 nan 0.000 0.453 384 P HA -0.088 nan 4.420 nan 0.000 0.217 384 P C 1.401 178.675 177.300 -0.043 0.000 1.150 384 P CA 1.376 64.438 63.100 -0.062 0.000 0.832 384 P CB -0.106 31.529 31.700 -0.109 0.000 0.787 385 Q N -0.682 119.083 119.800 -0.057 0.000 2.020 385 Q HA -0.170 4.179 4.340 0.015 0.000 0.202 385 Q C 1.991 177.987 176.000 -0.006 0.000 0.982 385 Q CA 1.409 57.195 55.803 -0.030 0.000 0.838 385 Q CB -0.503 28.215 28.738 -0.032 0.000 0.899 385 Q HN 0.284 nan 8.270 nan 0.000 0.423 386 N N 0.955 119.652 118.700 -0.005 0.000 2.043 386 N HA -0.190 4.559 4.740 0.015 0.000 0.193 386 N C 1.874 177.396 175.510 0.020 0.000 1.037 386 N CA 0.972 54.028 53.050 0.009 0.000 0.851 386 N CB -0.555 37.936 38.487 0.007 0.000 1.027 386 N HN 0.203 nan 8.380 nan 0.000 0.422 387 L N 1.049 122.284 121.223 0.020 0.000 1.990 387 L HA -0.160 4.189 4.340 0.015 0.000 0.213 387 L C 1.959 178.859 176.870 0.050 0.000 1.072 387 L CA 1.330 56.194 54.840 0.040 0.000 0.755 387 L CB -0.251 41.832 42.059 0.040 0.000 0.889 387 L HN 0.033 nan 8.230 nan 0.000 0.432 388 I N -0.088 120.503 120.570 0.035 0.000 2.264 388 I HA -0.305 3.874 4.170 0.015 0.000 0.248 388 I C 2.825 178.962 176.117 0.034 0.000 1.111 388 I CA 1.435 62.757 61.300 0.037 0.000 1.382 388 I CB -1.477 36.536 38.000 0.023 0.000 1.060 388 I HN 0.274 nan 8.210 nan 0.000 0.418 389 K N 0.632 121.049 120.400 0.029 0.000 2.002 389 K HA -0.179 4.151 4.320 0.015 0.000 0.209 389 K C 2.119 178.739 176.600 0.032 0.000 1.048 389 K CA 1.547 57.850 56.287 0.027 0.000 0.930 389 K CB -0.473 32.041 32.500 0.023 0.000 0.714 389 K HN 0.517 nan 8.250 nan 0.000 0.438 390 Q N 0.674 120.499 119.800 0.042 0.000 1.985 390 Q HA -0.212 4.137 4.340 0.015 0.000 0.207 390 Q C 2.100 178.142 176.000 0.070 0.000 0.996 390 Q CA 2.242 58.077 55.803 0.055 0.000 0.851 390 Q CB -0.490 28.287 28.738 0.064 0.000 0.921 390 Q HN 0.708 nan 8.270 nan 0.000 0.418 391 N N -0.012 118.748 118.700 0.101 0.000 2.453 391 N HA -0.117 4.632 4.740 0.015 0.000 0.183 391 N C 1.271 176.759 175.510 -0.037 0.000 1.041 391 N CA 1.219 54.350 53.050 0.134 0.000 0.900 391 N CB -0.711 37.956 38.487 0.299 0.000 0.961 391 N HN 0.202 nan 8.380 nan 0.000 0.443 392 c N 0.313 118.905 118.600 -0.012 0.000 2.485 392 c HA 0.175 4.754 4.570 0.015 0.000 0.278 392 c C 2.488 176.581 174.090 0.006 0.000 1.356 392 c CA -0.031 56.285 56.329 -0.022 0.000 1.747 392 c CB -0.717 41.793 42.510 -0.000 0.000 2.001 392 c HN 0.513 nan 8.230 nan 0.000 0.501 393 E N 0.528 120.731 120.200 0.005 0.000 2.015 393 E HA -0.220 4.139 4.350 0.015 0.000 0.191 393 E C 1.975 178.565 176.600 -0.017 0.000 0.991 393 E CA 1.021 57.422 56.400 0.002 0.000 0.802 393 E CB -0.276 29.432 29.700 0.014 0.000 0.759 393 E HN 0.398 nan 8.360 nan 0.000 0.447 394 L N 0.466 121.687 121.223 -0.004 0.000 2.081 394 L HA -0.210 4.139 4.340 0.015 0.000 0.212 394 L C 2.118 178.926 176.870 -0.104 0.000 1.080 394 L CA 1.483 56.326 54.840 0.005 0.000 0.754 394 L CB -0.409 41.723 42.059 0.121 0.000 0.893 394 L HN 0.127 nan 8.230 nan 0.000 0.433 395 F N 0.339 120.021 119.950 -0.445 0.000 2.084 395 F HA -0.180 4.357 4.527 0.016 0.000 0.296 395 F C 2.412 178.060 175.800 -0.254 0.000 1.111 395 F CA 1.649 59.298 58.000 -0.584 0.000 1.224 395 F CB -0.340 38.224 39.000 -0.727 0.000 0.991 395 F HN 0.115 nan 8.300 nan 0.000 0.471 396 E N 0.208 120.268 120.200 -0.235 0.000 2.219 396 E HA -0.312 4.047 4.350 0.015 0.000 0.198 396 E C 2.064 178.518 176.600 -0.244 0.000 0.998 396 E CA 1.529 57.777 56.400 -0.254 0.000 0.818 396 E CB -0.626 29.020 29.700 -0.090 0.000 0.741 396 E HN 0.640 nan 8.360 nan 0.000 0.477 397 Q N 0.005 119.697 119.800 -0.179 0.000 2.062 397 Q HA -0.005 4.344 4.340 0.015 0.000 0.196 397 Q C 2.104 178.037 176.000 -0.112 0.000 0.967 397 Q CA 0.832 56.569 55.803 -0.111 0.000 0.832 397 Q CB 0.213 28.921 28.738 -0.049 0.000 0.899 397 Q HN 0.245 nan 8.270 nan 0.000 0.442 398 L N -1.186 119.961 121.223 -0.126 0.000 2.470 398 L HA 0.398 4.747 4.340 0.015 0.000 0.219 398 L C 0.857 177.670 176.870 -0.096 0.000 1.071 398 L CA 0.127 54.937 54.840 -0.051 0.000 0.850 398 L CB 0.221 42.325 42.059 0.075 0.000 1.040 398 L HN 0.362 nan 8.230 nan 0.000 0.475 399 G N 1.039 109.635 108.800 -0.339 0.000 2.712 399 G HA2 -0.257 3.712 3.960 0.015 0.000 0.686 399 G HA3 -0.257 3.712 3.960 0.015 0.000 0.686 399 G C 0.255 175.180 174.900 0.042 0.000 1.321 399 G CA 0.097 44.975 45.100 -0.370 0.000 0.813 399 G HN 0.258 nan 8.290 nan 0.000 0.599 400 E N -0.038 120.334 120.200 0.286 0.000 2.082 400 E HA -0.310 4.050 4.350 0.015 0.000 0.215 400 E C 2.038 178.883 176.600 0.408 0.000 1.048 400 E CA 2.951 59.686 56.400 0.558 0.000 0.869 400 E CB -0.293 29.660 29.700 0.422 0.000 0.773 400 E HN 0.837 nan 8.360 nan 0.000 0.466 401 Y N 0.491 120.901 120.300 0.185 0.000 2.053 401 Y HA -0.294 4.264 4.550 0.015 0.000 0.277 401 Y C 2.468 178.446 175.900 0.131 0.000 1.159 401 Y CA 3.340 61.517 58.100 0.129 0.000 1.125 401 Y CB -0.904 37.608 38.460 0.086 0.000 0.969 401 Y HN 0.124 nan 8.280 nan 0.000 0.492 402 K N -0.207 120.239 120.400 0.075 0.000 2.209 402 K HA -0.171 4.159 4.320 0.015 0.000 0.204 402 K C 1.976 178.610 176.600 0.057 0.000 1.048 402 K CA 1.494 57.767 56.287 -0.022 0.000 0.940 402 K CB -1.687 30.869 32.500 0.093 0.000 0.729 402 K HN 0.552 nan 8.250 nan 0.000 0.451 403 F N 1.980 121.935 119.950 0.008 0.000 2.128 403 F HA -0.082 4.454 4.527 0.014 0.000 0.295 403 F C 2.406 178.215 175.800 0.015 0.000 1.100 403 F CA 1.716 59.758 58.000 0.070 0.000 1.260 403 F CB -0.294 38.852 39.000 0.243 0.000 1.009 403 F HN 0.366 nan 8.300 nan 0.000 0.476 404 Q N -0.041 119.679 119.800 -0.134 0.000 2.135 404 Q HA -0.212 4.137 4.340 0.015 0.000 0.204 404 Q C 1.826 177.676 176.000 -0.251 0.000 0.981 404 Q CA 1.511 57.157 55.803 -0.261 0.000 0.856 404 Q CB -0.425 28.239 28.738 -0.123 0.000 0.902 404 Q HN 0.430 nan 8.270 nan 0.000 0.425 405 N N 0.605 119.149 118.700 -0.260 0.000 2.244 405 N HA -0.092 4.658 4.740 0.015 0.000 0.183 405 N C 1.629 177.060 175.510 -0.133 0.000 1.016 405 N CA 1.210 54.127 53.050 -0.223 0.000 0.866 405 N CB -0.216 38.090 38.487 -0.301 0.000 0.980 405 N HN 0.246 nan 8.380 nan 0.000 0.430 406 A N 1.431 124.183 122.820 -0.113 0.000 1.873 406 A HA -0.031 4.298 4.320 0.015 0.000 0.215 406 A C 2.384 179.921 177.584 -0.077 0.000 1.186 406 A CA 0.817 52.822 52.037 -0.054 0.000 0.616 406 A CB -0.687 18.327 19.000 0.023 0.000 0.823 406 A HN 0.167 nan 8.150 nan 0.000 0.442 407 L N -0.754 120.354 121.223 -0.192 0.000 2.017 407 L HA -0.169 4.180 4.340 0.015 0.000 0.208 407 L C 2.652 179.501 176.870 -0.036 0.000 1.073 407 L CA 1.133 55.887 54.840 -0.144 0.000 0.745 407 L CB -0.607 41.231 42.059 -0.367 0.000 0.894 407 L HN 0.409 nan 8.230 nan 0.000 0.432 408 L N -0.400 120.761 121.223 -0.105 0.000 1.997 408 L HA -0.299 4.050 4.340 0.015 0.000 0.216 408 L C 2.576 179.442 176.870 -0.007 0.000 1.074 408 L CA 1.644 56.447 54.840 -0.062 0.000 0.763 408 L CB -0.290 41.718 42.059 -0.084 0.000 0.890 408 L HN 0.102 nan 8.230 nan 0.000 0.434 409 V N -0.145 119.759 119.914 -0.017 0.000 2.261 409 V HA -0.346 3.783 4.120 0.015 0.000 0.246 409 V C 3.192 179.291 176.094 0.008 0.000 1.047 409 V CA 2.532 64.830 62.300 -0.003 0.000 1.015 409 V CB -1.176 30.644 31.823 -0.006 0.000 0.642 409 V HN 0.594 nan 8.190 nan 0.000 0.446 410 R N -1.000 119.516 120.500 0.025 0.000 2.096 410 R HA -0.245 4.104 4.340 0.015 0.000 0.240 410 R C 2.064 178.343 176.300 -0.036 0.000 1.139 410 R CA 2.484 58.589 56.100 0.009 0.000 0.952 410 R CB -1.687 28.643 30.300 0.050 0.000 0.854 410 R HN 0.673 nan 8.270 nan 0.000 0.436 411 Y N 1.017 121.271 120.300 -0.077 0.000 2.457 411 Y HA -0.009 4.551 4.550 0.016 0.000 0.292 411 Y C 2.795 178.644 175.900 -0.085 0.000 1.125 411 Y CA 1.613 59.666 58.100 -0.078 0.000 1.254 411 Y CB 0.066 38.459 38.460 -0.113 0.000 1.012 411 Y HN 0.291 nan 8.280 nan 0.000 0.555 412 T N -0.637 113.934 114.554 0.028 0.000 2.985 412 T HA -0.098 4.261 4.350 0.015 0.000 0.266 412 T C 1.743 176.378 174.700 -0.107 0.000 1.076 412 T CA 1.021 63.095 62.100 -0.043 0.000 1.135 412 T CB -0.024 68.822 68.868 -0.036 0.000 0.890 412 T HN 0.278 nan 8.240 nan 0.000 0.480 413 K N 0.926 121.275 120.400 -0.085 0.000 2.228 413 K HA 0.045 4.374 4.320 0.015 0.000 0.202 413 K C 2.237 178.766 176.600 -0.117 0.000 1.051 413 K CA 0.810 57.041 56.287 -0.094 0.000 0.960 413 K CB 0.063 32.529 32.500 -0.057 0.000 0.743 413 K HN 0.242 nan 8.250 nan 0.000 0.458 414 K N 0.563 120.879 120.400 -0.140 0.000 2.031 414 K HA -0.050 4.279 4.320 0.015 0.000 0.205 414 K C 0.964 177.501 176.600 -0.105 0.000 1.049 414 K CA 1.125 57.325 56.287 -0.145 0.000 0.939 414 K CB 0.347 32.699 32.500 -0.247 0.000 0.717 414 K HN 0.022 nan 8.250 nan 0.000 0.438 415 V N -1.784 118.074 119.914 -0.093 0.000 2.405 415 V HA 0.281 4.410 4.120 0.015 0.000 0.253 415 V C -2.652 173.349 176.094 -0.155 0.000 0.963 415 V CA -1.592 60.655 62.300 -0.089 0.000 1.003 415 V CB 1.038 32.852 31.823 -0.016 0.000 1.251 415 V HN -0.069 nan 8.190 nan 0.000 0.520 416 P HA -0.118 nan 4.420 nan 0.000 0.218 416 P C 1.479 178.585 177.300 -0.324 0.000 1.148 416 P CA 1.450 64.225 63.100 -0.541 0.000 0.822 416 P CB 0.249 31.063 31.700 -1.477 0.000 0.784 417 Q N -0.772 118.927 119.800 -0.168 0.000 2.181 417 Q HA -0.057 4.292 4.340 0.015 0.000 0.205 417 Q C 0.572 176.589 176.000 0.028 0.000 0.980 417 Q CA 0.626 56.435 55.803 0.011 0.000 0.862 417 Q CB -1.348 27.435 28.738 0.075 0.000 0.905 417 Q HN 0.120 nan 8.270 nan 0.000 0.429 418 V N 2.201 122.118 119.914 0.005 0.000 2.599 418 V HA -0.020 4.109 4.120 0.015 0.000 0.300 418 V C 0.655 176.755 176.094 0.011 0.000 1.034 418 V CA -0.070 62.251 62.300 0.035 0.000 1.115 418 V CB 0.505 32.330 31.823 0.004 0.000 0.934 418 V HN 0.375 nan 8.190 nan 0.000 0.485 419 S N 3.733 119.447 115.700 0.022 0.000 2.563 419 S HA -0.024 4.455 4.470 0.015 0.000 0.284 419 S C 1.318 175.908 174.600 -0.017 0.000 1.331 419 S CA 0.438 58.638 58.200 0.000 0.000 1.047 419 S CB 0.860 64.057 63.200 -0.005 0.000 0.859 419 S HN 0.799 nan 8.310 nan 0.000 0.514 420 T N 4.416 118.955 114.554 -0.026 0.000 2.684 420 T HA -0.029 4.330 4.350 0.015 0.000 0.267 420 T C -0.876 173.798 174.700 -0.042 0.000 1.036 420 T CA 1.986 64.065 62.100 -0.035 0.000 1.148 420 T CB -1.519 67.322 68.868 -0.045 0.000 0.863 420 T HN 0.641 nan 8.240 nan 0.000 0.436 421 P HA -0.068 nan 4.420 nan 0.000 0.216 421 P C 1.580 178.852 177.300 -0.046 0.000 1.153 421 P CA 1.313 64.385 63.100 -0.047 0.000 0.858 421 P CB -0.227 31.444 31.700 -0.049 0.000 0.789 422 T N -0.612 113.916 114.554 -0.043 0.000 2.777 422 T HA -0.055 4.304 4.350 0.015 0.000 0.266 422 T C 1.771 176.432 174.700 -0.066 0.000 1.040 422 T CA 0.931 63.001 62.100 -0.050 0.000 1.141 422 T CB -0.863 67.986 68.868 -0.031 0.000 0.868 422 T HN 0.039 nan 8.240 nan 0.000 0.444 423 L N 0.695 121.885 121.223 -0.056 0.000 2.046 423 L HA -0.094 4.255 4.340 0.015 0.000 0.208 423 L C 2.654 179.478 176.870 -0.077 0.000 1.077 423 L CA 0.967 55.768 54.840 -0.066 0.000 0.747 423 L CB -0.572 41.460 42.059 -0.045 0.000 0.896 423 L HN 0.148 nan 8.230 nan 0.000 0.432 424 V N -0.248 119.630 119.914 -0.059 0.000 2.295 424 V HA -0.287 3.842 4.120 0.015 0.000 0.246 424 V C 2.468 178.525 176.094 -0.062 0.000 1.049 424 V CA 1.953 64.221 62.300 -0.053 0.000 1.024 424 V CB -0.400 31.402 31.823 -0.034 0.000 0.648 424 V HN 0.444 nan 8.190 nan 0.000 0.447 425 E N 0.535 120.697 120.200 -0.062 0.000 2.012 425 E HA -0.203 4.156 4.350 0.015 0.000 0.197 425 E C 2.085 178.629 176.600 -0.093 0.000 1.007 425 E CA 2.213 58.575 56.400 -0.062 0.000 0.816 425 E CB -0.659 29.005 29.700 -0.061 0.000 0.762 425 E HN 0.283 nan 8.360 nan 0.000 0.451 426 V N 0.344 120.180 119.914 -0.130 0.000 2.287 426 V HA -0.282 3.847 4.120 0.015 0.000 0.248 426 V C 2.493 178.444 176.094 -0.238 0.000 1.053 426 V CA 2.101 64.284 62.300 -0.196 0.000 1.027 426 V CB -0.789 30.890 31.823 -0.240 0.000 0.646 426 V HN 0.256 nan 8.190 nan 0.000 0.447 427 S N -0.738 114.825 115.700 -0.228 0.000 2.370 427 S HA -0.198 4.282 4.470 0.015 0.000 0.226 427 S C 2.074 176.558 174.600 -0.193 0.000 1.033 427 S CA 1.452 59.496 58.200 -0.260 0.000 1.011 427 S CB -0.319 62.763 63.200 -0.197 0.000 0.852 427 S HN 0.520 nan 8.310 nan 0.000 0.457 428 R N 1.507 121.937 120.500 -0.116 0.000 2.094 428 R HA -0.064 4.285 4.340 0.015 0.000 0.239 428 R C 1.888 178.168 176.300 -0.033 0.000 1.137 428 R CA 1.570 57.638 56.100 -0.054 0.000 0.943 428 R CB -0.608 29.686 30.300 -0.011 0.000 0.850 428 R HN 0.415 nan 8.270 nan 0.000 0.433 429 N N 0.884 119.560 118.700 -0.040 0.000 2.309 429 N HA -0.102 4.647 4.740 0.015 0.000 0.182 429 N C 1.908 177.439 175.510 0.035 0.000 1.018 429 N CA 0.888 53.952 53.050 0.024 0.000 0.876 429 N CB -0.135 38.338 38.487 -0.023 0.000 0.972 429 N HN 0.249 nan 8.380 nan 0.000 0.434 430 L N 0.239 121.390 121.223 -0.120 0.000 2.141 430 L HA -0.018 4.331 4.340 0.015 0.000 0.209 430 L C 2.324 179.145 176.870 -0.081 0.000 1.094 430 L CA 0.957 55.704 54.840 -0.156 0.000 0.763 430 L CB -0.624 41.209 42.059 -0.378 0.000 0.908 430 L HN 0.193 nan 8.230 nan 0.000 0.437 431 G N -0.195 108.533 108.800 -0.120 0.000 2.448 431 G HA2 -0.186 3.783 3.960 0.015 0.000 0.218 431 G HA3 -0.186 3.783 3.960 0.015 0.000 0.218 431 G C 1.611 176.605 174.900 0.157 0.000 1.135 431 G CA 0.123 45.172 45.100 -0.085 0.000 0.784 431 G HN 0.292 nan 8.290 nan 0.000 0.543 432 K N 0.160 120.623 120.400 0.105 0.000 2.442 432 K HA 0.100 4.429 4.320 0.015 0.000 0.198 432 K C 2.337 178.877 176.600 -0.102 0.000 1.042 432 K CA 0.047 56.354 56.287 0.033 0.000 0.958 432 K CB 0.028 32.559 32.500 0.051 0.000 0.766 432 K HN 0.178 nan 8.250 nan 0.000 0.474 433 V N 1.140 121.077 119.914 0.039 0.000 2.255 433 V HA -0.263 3.866 4.120 0.015 0.000 0.247 433 V C 2.341 178.311 176.094 -0.206 0.000 1.051 433 V CA 2.351 64.631 62.300 -0.033 0.000 1.018 433 V CB -0.868 31.062 31.823 0.178 0.000 0.641 433 V HN 0.534 nan 8.190 nan 0.000 0.445 434 G N -0.406 108.243 108.800 -0.251 0.000 2.514 434 G HA2 -0.375 3.594 3.960 0.015 0.000 0.217 434 G HA3 -0.375 3.594 3.960 0.015 0.000 0.217 434 G C 1.904 176.065 174.900 -1.231 0.000 1.198 434 G CA 1.675 46.234 45.100 -0.901 0.000 0.780 434 G HN 0.667 nan 8.290 nan 0.000 0.565 435 S N -0.286 114.790 115.700 -1.040 0.000 2.423 435 S HA -0.072 4.407 4.470 0.015 0.000 0.231 435 S C 2.091 176.519 174.600 -0.286 0.000 1.014 435 S CA 1.990 59.900 58.200 -0.483 0.000 0.965 435 S CB -0.133 63.037 63.200 -0.050 0.000 0.785 435 S HN 0.298 nan 8.310 nan 0.000 0.495 436 K N -0.564 119.648 120.400 -0.312 0.000 2.400 436 K HA 0.284 4.613 4.320 0.015 0.000 0.194 436 K C 1.358 177.838 176.600 -0.200 0.000 1.033 436 K CA 0.750 56.877 56.287 -0.266 0.000 1.021 436 K CB -0.765 31.499 32.500 -0.394 0.000 0.808 436 K HN 0.764 nan 8.250 nan 0.000 0.505 437 c N -2.080 116.405 118.600 -0.190 0.000 3.484 437 c HA 0.300 4.879 4.570 0.015 0.000 0.543 437 c C 2.415 176.496 174.090 -0.015 0.000 1.395 437 c CA -0.135 56.188 56.329 -0.009 0.000 2.412 437 c CB -0.403 42.104 42.510 -0.005 0.000 3.532 437 c HN 0.683 nan 8.230 nan 0.000 0.584 438 c N 2.331 120.854 118.600 -0.129 0.000 2.419 438 c HA -0.068 4.511 4.570 0.015 0.000 0.283 438 c C 2.433 176.499 174.090 -0.039 0.000 1.373 438 c CA 1.471 57.762 56.329 -0.063 0.000 1.781 438 c CB -1.525 40.944 42.510 -0.068 0.000 1.886 438 c HN 0.737 nan 8.230 nan 0.000 0.520 439 K N -0.202 120.119 120.400 -0.131 0.000 2.706 439 K HA 0.123 4.452 4.320 0.015 0.000 0.217 439 K C -0.055 176.405 176.600 -0.233 0.000 1.019 439 K CA 0.448 56.642 56.287 -0.155 0.000 1.181 439 K CB -1.159 31.227 32.500 -0.190 0.000 0.940 439 K HN 0.717 nan 8.250 nan 0.000 0.491 440 H N -0.040 119.020 119.070 -0.017 0.000 2.731 440 H HA 0.526 5.090 4.556 0.014 0.000 0.368 440 H C -2.774 172.550 175.328 -0.007 0.000 1.168 440 H CA -2.481 53.557 56.048 -0.016 0.000 1.181 440 H CB 1.932 31.679 29.762 -0.025 0.000 1.743 440 H HN 0.101 nan 8.280 nan 0.000 0.547 441 P HA 0.142 nan 4.420 nan 0.000 0.275 441 P C 0.978 178.312 177.300 0.056 0.000 1.228 441 P CA 0.290 63.434 63.100 0.073 0.000 0.786 441 P CB 0.522 32.253 31.700 0.052 0.000 0.927 442 E N 2.607 122.833 120.200 0.043 0.000 2.095 442 E HA -0.347 4.012 4.350 0.015 0.000 0.212 442 E C 2.039 178.660 176.600 0.035 0.000 1.044 442 E CA 2.722 59.146 56.400 0.039 0.000 0.857 442 E CB -1.826 27.896 29.700 0.037 0.000 0.764 442 E HN 0.569 nan 8.360 nan 0.000 0.462 443 A N -0.003 122.833 122.820 0.028 0.000 2.093 443 A HA 0.092 4.421 4.320 0.015 0.000 0.222 443 A C 2.500 180.080 177.584 -0.006 0.000 1.162 443 A CA 3.373 55.421 52.037 0.019 0.000 0.655 443 A CB -0.634 18.367 19.000 0.001 0.000 0.805 443 A HN 1.079 nan 8.150 nan 0.000 0.461 444 K N -0.598 119.783 120.400 -0.031 0.000 2.413 444 K HA 0.358 4.687 4.320 0.015 0.000 0.204 444 K C 1.627 178.162 176.600 -0.108 0.000 1.041 444 K CA 0.335 56.556 56.287 -0.111 0.000 1.082 444 K CB -0.236 32.128 32.500 -0.226 0.000 0.871 444 K HN 0.589 nan 8.250 nan 0.000 0.535 445 R N -0.643 119.849 120.500 -0.014 0.000 2.066 445 R HA 0.209 4.558 4.340 0.015 0.000 0.224 445 R C 2.379 178.685 176.300 0.010 0.000 1.122 445 R CA 1.270 57.381 56.100 0.018 0.000 0.974 445 R CB -0.182 30.142 30.300 0.040 0.000 0.871 445 R HN 0.447 nan 8.270 nan 0.000 0.435 446 M N 1.488 121.094 119.600 0.010 0.000 2.065 446 M HA -0.106 4.383 4.480 0.015 0.000 0.259 446 M C -0.906 175.396 176.300 0.003 0.000 1.069 446 M CA 1.930 57.233 55.300 0.004 0.000 1.110 446 M CB -0.791 31.806 32.600 -0.005 0.000 1.328 446 M HN -0.058 nan 8.290 nan 0.000 0.405 447 P HA -0.152 nan 4.420 nan 0.000 0.216 447 P C 1.786 179.090 177.300 0.007 0.000 1.153 447 P CA 1.541 64.636 63.100 -0.008 0.000 0.848 447 P CB -0.537 31.145 31.700 -0.031 0.000 0.787 448 c N 0.218 118.808 118.600 -0.017 0.000 2.413 448 c HA -0.079 4.500 4.570 0.015 0.000 0.278 448 c C 3.021 177.153 174.090 0.071 0.000 1.224 448 c CA 1.999 58.331 56.329 0.005 0.000 1.732 448 c CB -1.587 40.916 42.510 -0.011 0.000 2.050 448 c HN 0.266 nan 8.230 nan 0.000 0.463 449 A N -0.164 122.695 122.820 0.065 0.000 1.828 449 A HA -0.196 4.133 4.320 0.015 0.000 0.215 449 A C 2.128 179.784 177.584 0.119 0.000 1.203 449 A CA 1.914 54.011 52.037 0.101 0.000 0.614 449 A CB -1.296 17.742 19.000 0.064 0.000 0.844 449 A HN 0.767 nan 8.150 nan 0.000 0.445 450 E N -0.453 119.785 120.200 0.065 0.000 2.160 450 E HA -0.230 4.129 4.350 0.015 0.000 0.195 450 E C 1.116 177.752 176.600 0.059 0.000 0.991 450 E CA 1.493 57.920 56.400 0.045 0.000 0.810 450 E CB -0.085 29.619 29.700 0.006 0.000 0.742 450 E HN 0.550 nan 8.360 nan 0.000 0.466 451 D N -0.904 119.549 120.400 0.087 0.000 2.277 451 D HA -0.120 4.529 4.640 0.015 0.000 0.208 451 D C 1.360 177.736 176.300 0.127 0.000 0.962 451 D CA 0.514 54.588 54.000 0.123 0.000 0.865 451 D CB -0.057 40.833 40.800 0.149 0.000 0.939 451 D HN 0.318 nan 8.370 nan 0.000 0.510 452 Y N 1.384 121.695 120.300 0.017 0.000 2.286 452 Y HA 0.019 4.577 4.550 0.013 0.000 0.293 452 Y C 2.048 177.937 175.900 -0.019 0.000 1.124 452 Y CA 0.831 58.930 58.100 -0.001 0.000 1.178 452 Y CB -0.311 38.144 38.460 -0.009 0.000 1.010 452 Y HN -0.161 nan 8.280 nan 0.000 0.536 453 L N -0.705 120.458 121.223 -0.101 0.000 2.191 453 L HA -0.210 4.140 4.340 0.015 0.000 0.212 453 L C 2.396 179.152 176.870 -0.190 0.000 1.103 453 L CA 1.354 56.084 54.840 -0.184 0.000 0.769 453 L CB -0.605 41.426 42.059 -0.047 0.000 0.908 453 L HN 0.146 nan 8.230 nan 0.000 0.438 454 S N -0.537 115.099 115.700 -0.108 0.000 2.368 454 S HA -0.135 4.344 4.470 0.015 0.000 0.225 454 S C 2.050 176.564 174.600 -0.142 0.000 1.030 454 S CA 1.146 59.297 58.200 -0.081 0.000 0.999 454 S CB -0.184 63.017 63.200 0.002 0.000 0.844 454 S HN 0.173 nan 8.310 nan 0.000 0.459 455 V N 1.588 121.389 119.914 -0.189 0.000 2.261 455 V HA -0.142 3.988 4.120 0.015 0.000 0.246 455 V C 2.357 178.283 176.094 -0.279 0.000 1.047 455 V CA 1.504 63.675 62.300 -0.217 0.000 1.015 455 V CB -0.850 30.838 31.823 -0.225 0.000 0.642 455 V HN 0.339 nan 8.190 nan 0.000 0.446 456 V N -0.084 119.579 119.914 -0.419 0.000 2.332 456 V HA -0.262 3.867 4.120 0.015 0.000 0.248 456 V C 2.301 178.213 176.094 -0.304 0.000 1.055 456 V CA 1.955 64.028 62.300 -0.379 0.000 1.038 456 V CB -0.632 30.912 31.823 -0.465 0.000 0.651 456 V HN 0.455 nan 8.190 nan 0.000 0.450 457 L N 0.320 121.367 121.223 -0.294 0.000 2.275 457 L HA -0.143 4.206 4.340 0.015 0.000 0.215 457 L C 2.289 179.051 176.870 -0.180 0.000 1.119 457 L CA 1.530 56.193 54.840 -0.296 0.000 0.790 457 L CB -0.650 41.272 42.059 -0.229 0.000 0.919 457 L HN 0.439 nan 8.230 nan 0.000 0.443 458 N N -0.775 117.837 118.700 -0.148 0.000 2.354 458 N HA -0.161 4.588 4.740 0.015 0.000 0.179 458 N C 1.943 177.386 175.510 -0.111 0.000 1.021 458 N CA 0.657 53.647 53.050 -0.100 0.000 0.887 458 N CB 0.187 38.607 38.487 -0.112 0.000 0.974 458 N HN 0.112 nan 8.380 nan 0.000 0.437 459 Q N 0.289 120.003 119.800 -0.143 0.000 2.050 459 Q HA -0.104 4.245 4.340 0.015 0.000 0.202 459 Q C 1.946 177.882 176.000 -0.106 0.000 0.980 459 Q CA 0.810 56.537 55.803 -0.127 0.000 0.840 459 Q CB -0.751 27.904 28.738 -0.138 0.000 0.898 459 Q HN 0.412 nan 8.270 nan 0.000 0.424 460 L N 0.427 121.567 121.223 -0.139 0.000 1.989 460 L HA -0.210 4.139 4.340 0.015 0.000 0.211 460 L C 2.391 179.250 176.870 -0.017 0.000 1.071 460 L CA 1.905 56.676 54.840 -0.116 0.000 0.749 460 L CB -1.100 40.815 42.059 -0.241 0.000 0.890 460 L HN 0.217 nan 8.230 nan 0.000 0.431 461 c N -1.135 117.464 118.600 -0.003 0.000 2.393 461 c HA -0.195 4.384 4.570 0.015 0.000 0.276 461 c C 2.919 177.042 174.090 0.056 0.000 1.215 461 c CA 1.369 57.745 56.329 0.078 0.000 1.743 461 c CB -1.338 41.224 42.510 0.085 0.000 2.044 461 c HN 0.667 nan 8.230 nan 0.000 0.464 462 V N -0.345 119.560 119.914 -0.016 0.000 2.515 462 V HA -0.105 4.025 4.120 0.015 0.000 0.250 462 V C 1.982 178.052 176.094 -0.039 0.000 1.058 462 V CA 1.923 64.191 62.300 -0.053 0.000 1.064 462 V CB -0.846 30.902 31.823 -0.125 0.000 0.675 462 V HN 0.623 nan 8.190 nan 0.000 0.461 463 L N -0.156 121.054 121.223 -0.021 0.000 2.179 463 L HA -0.022 4.327 4.340 0.015 0.000 0.208 463 L C 2.690 179.572 176.870 0.019 0.000 1.096 463 L CA 1.824 56.654 54.840 -0.017 0.000 0.779 463 L CB -0.668 41.377 42.059 -0.024 0.000 0.922 463 L HN 0.482 nan 8.230 nan 0.000 0.443 464 H N -0.129 118.919 119.070 -0.036 0.000 2.502 464 H HA -0.130 4.435 4.556 0.015 0.000 0.283 464 H C 2.094 177.411 175.328 -0.018 0.000 1.015 464 H CA 1.135 57.172 56.048 -0.018 0.000 1.298 464 H CB 0.325 30.092 29.762 0.008 0.000 1.411 464 H HN 0.279 nan 8.280 nan 0.000 0.556 465 E N 0.183 120.349 120.200 -0.056 0.000 2.347 465 E HA -0.125 4.234 4.350 0.015 0.000 0.196 465 E C 2.172 178.696 176.600 -0.127 0.000 1.008 465 E CA 0.983 57.324 56.400 -0.098 0.000 0.852 465 E CB 0.041 29.718 29.700 -0.038 0.000 0.783 465 E HN 0.588 nan 8.360 nan 0.000 0.505 466 K N 0.367 120.697 120.400 -0.116 0.000 2.228 466 K HA -0.027 4.302 4.320 0.015 0.000 0.202 466 K C 1.164 177.692 176.600 -0.121 0.000 1.051 466 K CA 1.429 57.656 56.287 -0.101 0.000 0.960 466 K CB -0.278 32.176 32.500 -0.076 0.000 0.743 466 K HN 0.287 nan 8.250 nan 0.000 0.458 467 T N -0.744 113.709 114.554 -0.168 0.000 3.365 467 T HA 0.294 4.653 4.350 0.015 0.000 0.290 467 T C -3.325 171.205 174.700 -0.283 0.000 0.941 467 T CA -1.373 60.627 62.100 -0.165 0.000 1.522 467 T CB 1.248 70.052 68.868 -0.107 0.000 0.865 467 T HN 0.127 nan 8.240 nan 0.000 0.572 468 P HA 0.255 nan 4.420 nan 0.000 0.268 468 P C 0.840 178.005 177.300 -0.225 0.000 1.205 468 P CA -0.248 62.497 63.100 -0.591 0.000 0.771 468 P CB 1.520 33.031 31.700 -0.315 0.000 0.858 469 V N -0.952 118.954 119.914 -0.013 0.000 3.400 469 V HA 0.292 4.421 4.120 0.015 0.000 0.281 469 V C 0.303 176.517 176.094 0.200 0.000 1.617 469 V CA 0.249 62.620 62.300 0.118 0.000 1.044 469 V CB 0.226 32.110 31.823 0.102 0.000 0.858 469 V HN 0.577 nan 8.190 nan 0.000 0.425 470 S N 0.467 116.373 115.700 0.344 0.000 2.733 470 S HA 0.452 4.931 4.470 0.015 0.000 0.294 470 S C 0.109 174.791 174.600 0.137 0.000 1.149 470 S CA -0.105 58.189 58.200 0.156 0.000 1.034 470 S CB 1.643 64.862 63.200 0.031 0.000 1.015 470 S HN 0.317 nan 8.310 nan 0.000 0.486 471 D N 3.344 123.791 120.400 0.078 0.000 2.178 471 D HA -0.045 4.604 4.640 0.015 0.000 0.201 471 D C 1.949 178.248 176.300 -0.001 0.000 0.980 471 D CA 1.141 55.170 54.000 0.048 0.000 0.842 471 D CB 0.131 40.946 40.800 0.024 0.000 0.948 471 D HN 0.570 nan 8.370 nan 0.000 0.472 472 R N 0.222 120.702 120.500 -0.033 0.000 2.096 472 R HA -0.053 4.296 4.340 0.015 0.000 0.235 472 R C 2.098 178.306 176.300 -0.153 0.000 1.127 472 R CA 0.729 56.772 56.100 -0.095 0.000 0.968 472 R CB -0.384 29.863 30.300 -0.088 0.000 0.861 472 R HN 0.156 nan 8.270 nan 0.000 0.440 473 V N 0.508 120.347 119.914 -0.125 0.000 2.283 473 V HA -0.201 3.928 4.120 0.015 0.000 0.243 473 V C 2.213 178.276 176.094 -0.052 0.000 1.039 473 V CA 2.136 64.358 62.300 -0.130 0.000 1.016 473 V CB -0.665 30.828 31.823 -0.550 0.000 0.650 473 V HN 0.320 nan 8.190 nan 0.000 0.449 474 T N -0.173 114.405 114.554 0.039 0.000 2.699 474 T HA -0.295 4.064 4.350 0.015 0.000 0.268 474 T C 1.962 176.674 174.700 0.020 0.000 1.036 474 T CA 2.170 64.330 62.100 0.100 0.000 1.147 474 T CB -0.255 68.688 68.868 0.125 0.000 0.862 474 T HN 0.465 nan 8.240 nan 0.000 0.446 475 K N 0.091 120.471 120.400 -0.033 0.000 2.002 475 K HA -0.116 4.213 4.320 0.015 0.000 0.209 475 K C 2.565 179.108 176.600 -0.094 0.000 1.048 475 K CA 1.580 57.833 56.287 -0.057 0.000 0.930 475 K CB -0.510 31.943 32.500 -0.078 0.000 0.714 475 K HN 0.325 nan 8.250 nan 0.000 0.438 476 c N 0.644 119.114 118.600 -0.217 0.000 2.413 476 c HA -0.145 4.434 4.570 0.015 0.000 0.276 476 c C 2.978 176.995 174.090 -0.122 0.000 1.248 476 c CA 0.698 56.827 56.329 -0.334 0.000 1.742 476 c CB -0.952 40.993 42.510 -0.942 0.000 2.017 476 c HN 0.675 nan 8.230 nan 0.000 0.481 477 c N 0.510 119.109 118.600 -0.002 0.000 2.440 477 c HA -0.075 4.504 4.570 0.015 0.000 0.278 477 c C 2.877 177.083 174.090 0.193 0.000 1.295 477 c CA 1.948 58.364 56.329 0.145 0.000 1.738 477 c CB -1.510 41.103 42.510 0.171 0.000 1.987 477 c HN 0.842 nan 8.230 nan 0.000 0.492 478 T N -1.952 112.681 114.554 0.130 0.000 3.044 478 T HA -0.025 4.334 4.350 0.015 0.000 0.255 478 T C 1.565 176.386 174.700 0.203 0.000 1.073 478 T CA 0.949 63.135 62.100 0.145 0.000 1.125 478 T CB -0.347 68.540 68.868 0.033 0.000 0.908 478 T HN 0.620 nan 8.240 nan 0.000 0.480 479 E N 1.853 122.122 120.200 0.116 0.000 2.085 479 E HA -0.098 4.261 4.350 0.015 0.000 0.194 479 E C 0.428 177.103 176.600 0.124 0.000 0.994 479 E CA 1.209 57.661 56.400 0.086 0.000 0.801 479 E CB 0.107 29.812 29.700 0.009 0.000 0.743 479 E HN 0.648 nan 8.360 nan 0.000 0.453 480 S N -1.526 114.228 115.700 0.090 0.000 2.560 480 S HA 0.079 4.558 4.470 0.015 0.000 0.283 480 S C 0.016 174.449 174.600 -0.278 0.000 1.141 480 S CA -0.781 57.383 58.200 -0.059 0.000 0.902 480 S CB 1.015 64.175 63.200 -0.066 0.000 1.104 480 S HN 0.143 nan 8.310 nan 0.000 0.454 481 L N 4.191 124.953 121.223 -0.768 0.000 2.141 481 L HA 0.238 4.587 4.340 0.015 0.000 0.209 481 L C 2.010 178.663 176.870 -0.362 0.000 1.094 481 L CA 1.804 56.167 54.840 -0.795 0.000 0.763 481 L CB -0.426 40.888 42.059 -1.243 0.000 0.908 481 L HN 0.727 nan 8.230 nan 0.000 0.437 482 V N -0.187 119.562 119.914 -0.276 0.000 2.591 482 V HA -0.167 3.962 4.120 0.015 0.000 0.249 482 V C 1.744 177.777 176.094 -0.102 0.000 1.053 482 V CA 1.861 64.070 62.300 -0.151 0.000 1.068 482 V CB -0.627 31.122 31.823 -0.123 0.000 0.689 482 V HN 0.573 nan 8.190 nan 0.000 0.462 483 N N -0.785 117.857 118.700 -0.098 0.000 2.336 483 N HA 0.050 4.799 4.740 0.015 0.000 0.189 483 N C 1.719 177.207 175.510 -0.038 0.000 1.113 483 N CA -0.198 52.812 53.050 -0.065 0.000 0.858 483 N CB 0.106 38.553 38.487 -0.066 0.000 0.970 483 N HN 0.374 nan 8.380 nan 0.000 0.471 484 R N 1.146 121.633 120.500 -0.021 0.000 2.136 484 R HA -0.191 4.158 4.340 0.015 0.000 0.242 484 R C 2.175 178.587 176.300 0.188 0.000 1.131 484 R CA 1.421 57.568 56.100 0.077 0.000 0.937 484 R CB -0.257 30.116 30.300 0.121 0.000 0.863 484 R HN 0.183 nan 8.270 nan 0.000 0.435 485 R N 0.406 120.985 120.500 0.132 0.000 2.080 485 R HA -0.090 4.259 4.340 0.015 0.000 0.236 485 R C -0.757 175.614 176.300 0.119 0.000 1.137 485 R CA 1.746 57.934 56.100 0.147 0.000 0.943 485 R CB -1.414 28.925 30.300 0.066 0.000 0.846 485 R HN 0.170 nan 8.270 nan 0.000 0.431 486 P HA -0.131 nan 4.420 nan 0.000 0.215 486 P C 1.672 178.968 177.300 -0.006 0.000 1.153 486 P CA 1.095 64.201 63.100 0.010 0.000 0.853 486 P CB -0.250 31.436 31.700 -0.023 0.000 0.788 487 c N -1.894 116.681 118.600 -0.042 0.000 2.413 487 c HA -0.190 4.389 4.570 0.015 0.000 0.277 487 c C 2.428 176.403 174.090 -0.190 0.000 1.228 487 c CA 0.941 57.179 56.329 -0.151 0.000 1.731 487 c CB -2.056 40.303 42.510 -0.252 0.000 2.042 487 c HN 0.071 nan 8.230 nan 0.000 0.468 488 F N 1.285 121.224 119.950 -0.018 0.000 2.113 488 F HA -0.089 4.447 4.527 0.015 0.000 0.297 488 F C 2.797 178.554 175.800 -0.072 0.000 1.103 488 F CA 2.012 60.001 58.000 -0.018 0.000 1.248 488 F CB -0.975 38.089 39.000 0.105 0.000 0.999 488 F HN 0.137 nan 8.300 nan 0.000 0.475 489 S N 0.010 115.811 115.700 0.168 0.000 2.365 489 S HA -0.274 4.206 4.470 0.015 0.000 0.225 489 S C 2.309 176.899 174.600 -0.017 0.000 1.039 489 S CA 1.300 59.541 58.200 0.068 0.000 1.033 489 S CB -0.862 62.384 63.200 0.077 0.000 0.887 489 S HN 0.382 nan 8.310 nan 0.000 0.447 490 A N 0.947 123.751 122.820 -0.027 0.000 2.070 490 A HA 0.098 4.427 4.320 0.015 0.000 0.220 490 A C 0.898 178.436 177.584 -0.076 0.000 1.159 490 A CA 0.600 52.606 52.037 -0.051 0.000 0.656 490 A CB -0.644 18.323 19.000 -0.056 0.000 0.800 490 A HN 0.452 nan 8.150 nan 0.000 0.453 491 L N 1.327 122.489 121.223 -0.101 0.000 2.540 491 L HA 0.019 4.369 4.340 0.015 0.000 0.276 491 L C 0.422 177.224 176.870 -0.113 0.000 1.212 491 L CA -0.034 54.734 54.840 -0.118 0.000 0.893 491 L CB 0.255 42.231 42.059 -0.137 0.000 1.138 491 L HN 0.364 nan 8.230 nan 0.000 0.491 492 E N 1.728 121.874 120.200 -0.089 0.000 2.254 492 E HA 0.262 4.621 4.350 0.015 0.000 0.261 492 E C -0.605 175.951 176.600 -0.074 0.000 1.051 492 E CA -0.672 55.685 56.400 -0.073 0.000 0.902 492 E CB 1.894 31.564 29.700 -0.050 0.000 1.168 492 E HN 0.363 nan 8.360 nan 0.000 0.423 493 V N -0.194 119.686 119.914 -0.058 0.000 2.599 493 V HA 0.032 4.161 4.120 0.015 0.000 0.300 493 V C 0.390 176.470 176.094 -0.024 0.000 1.034 493 V CA -0.546 61.726 62.300 -0.048 0.000 1.115 493 V CB 0.539 32.346 31.823 -0.027 0.000 0.934 493 V HN 0.435 nan 8.190 nan 0.000 0.485 494 D N 4.306 124.693 120.400 -0.022 0.000 2.389 494 D HA 0.245 4.894 4.640 0.015 0.000 0.263 494 D C 1.101 177.443 176.300 0.071 0.000 1.255 494 D CA 1.053 55.063 54.000 0.017 0.000 0.914 494 D CB 1.627 42.436 40.800 0.015 0.000 1.116 494 D HN 0.965 nan 8.370 nan 0.000 0.502 495 E N 1.822 122.053 120.200 0.051 0.000 2.250 495 E HA -0.112 4.247 4.350 0.015 0.000 0.192 495 E C 1.780 178.417 176.600 0.063 0.000 0.986 495 E CA 1.118 57.551 56.400 0.054 0.000 0.849 495 E CB -0.780 28.934 29.700 0.024 0.000 0.797 495 E HN 0.615 nan 8.360 nan 0.000 0.482 496 T N -1.985 112.608 114.554 0.065 0.000 3.113 496 T HA -0.037 4.322 4.350 0.015 0.000 0.263 496 T C 0.827 175.577 174.700 0.082 0.000 1.143 496 T CA 0.393 62.525 62.100 0.055 0.000 1.090 496 T CB -0.809 68.086 68.868 0.046 0.000 0.922 496 T HN 0.392 nan 8.240 nan 0.000 0.521 497 Y N 2.296 122.597 120.300 0.000 0.000 2.465 497 Y HA 0.436 4.995 4.550 0.016 0.000 0.331 497 Y C -0.497 175.408 175.900 0.009 0.000 1.102 497 Y CA -1.397 56.707 58.100 0.007 0.000 1.358 497 Y CB 0.543 39.008 38.460 0.007 0.000 1.213 497 Y HN -0.031 nan 8.280 nan 0.000 0.525 498 V N 9.631 129.120 119.914 -0.707 0.000 2.370 498 V HA 0.270 4.399 4.120 0.015 0.000 0.279 498 V C -2.020 173.523 176.094 -0.919 0.000 1.029 498 V CA -2.129 59.815 62.300 -0.594 0.000 0.870 498 V CB 0.883 32.535 31.823 -0.286 0.000 0.984 498 V HN 0.773 nan 8.190 nan 0.000 0.451 499 P HA -0.056 nan 4.420 nan 0.000 0.261 499 P C -0.189 177.054 177.300 -0.095 0.000 1.165 499 P CA 0.313 63.247 63.100 -0.277 0.000 0.759 499 P CB 0.338 31.965 31.700 -0.122 0.000 0.772 500 K N 2.786 123.248 120.400 0.104 0.000 2.368 500 K HA 0.302 4.631 4.320 0.015 0.000 0.282 500 K C 0.660 177.429 176.600 0.281 0.000 1.035 500 K CA -0.244 56.149 56.287 0.176 0.000 0.973 500 K CB 0.313 32.961 32.500 0.245 0.000 0.957 500 K HN 0.495 nan 8.250 nan 0.000 0.474 501 E N 3.457 123.767 120.200 0.183 0.000 2.410 501 E HA 0.029 4.388 4.350 0.015 0.000 0.255 501 E C -0.634 176.013 176.600 0.078 0.000 1.194 501 E CA -0.265 56.257 56.400 0.203 0.000 0.955 501 E CB 0.228 29.998 29.700 0.117 0.000 0.988 501 E HN 0.527 nan 8.360 nan 0.000 0.461 502 F N 1.679 121.517 119.950 -0.187 0.000 2.443 502 F HA 0.331 4.867 4.527 0.015 0.000 0.353 502 F C 0.453 176.217 175.800 -0.060 0.000 1.101 502 F CA -0.326 57.509 58.000 -0.275 0.000 1.226 502 F CB 0.658 39.478 39.000 -0.300 0.000 1.140 502 F HN 0.529 nan 8.300 nan 0.000 0.557 503 N N 4.626 122.789 118.700 -0.894 0.000 2.581 503 N HA 0.394 5.144 4.740 0.015 0.000 0.279 503 N C 0.062 175.088 175.510 -0.806 0.000 1.124 503 N CA -0.075 52.569 53.050 -0.677 0.000 0.833 503 N CB 1.490 39.808 38.487 -0.282 0.000 1.338 503 N HN 0.796 nan 8.380 nan 0.000 0.533 504 A N 2.591 124.900 122.820 -0.852 0.000 2.131 504 A HA -0.133 4.196 4.320 0.015 0.000 0.220 504 A C 1.776 179.383 177.584 0.038 0.000 1.158 504 A CA 1.016 52.908 52.037 -0.241 0.000 0.665 504 A CB -0.186 18.830 19.000 0.027 0.000 0.795 504 A HN 0.756 nan 8.150 nan 0.000 0.460 505 E N -0.068 120.083 120.200 -0.082 0.000 2.187 505 E HA -0.182 4.178 4.350 0.015 0.000 0.199 505 E C 1.990 178.539 176.600 -0.085 0.000 1.004 505 E CA 1.799 58.168 56.400 -0.051 0.000 0.813 505 E CB -0.821 28.830 29.700 -0.082 0.000 0.736 505 E HN 0.676 nan 8.360 nan 0.000 0.468 506 T N 0.468 114.903 114.554 -0.199 0.000 2.720 506 T HA -0.152 4.207 4.350 0.015 0.000 0.268 506 T C 1.174 175.542 174.700 -0.552 0.000 1.037 506 T CA 1.184 62.987 62.100 -0.495 0.000 1.144 506 T CB -0.276 68.036 68.868 -0.926 0.000 0.864 506 T HN 0.131 nan 8.240 nan 0.000 0.444 507 F N 1.314 121.324 119.950 0.100 0.000 2.668 507 F HA 0.321 4.857 4.527 0.016 0.000 0.297 507 F C 0.965 176.889 175.800 0.208 0.000 1.124 507 F CA -0.772 57.352 58.000 0.207 0.000 1.353 507 F CB -0.946 38.312 39.000 0.431 0.000 0.992 507 F HN -0.192 nan 8.300 nan 0.000 0.524 508 T N 2.610 117.300 114.554 0.227 0.000 2.871 508 T HA -0.083 4.276 4.350 0.015 0.000 0.296 508 T C 0.035 174.841 174.700 0.177 0.000 0.998 508 T CA 0.008 62.230 62.100 0.202 0.000 1.162 508 T CB -0.036 68.895 68.868 0.105 0.000 0.947 508 T HN 0.170 nan 8.240 nan 0.000 0.536 509 F N 3.708 123.676 119.950 0.030 0.000 2.628 509 F HA 0.231 4.767 4.527 0.016 0.000 0.346 509 F C 0.394 176.182 175.800 -0.019 0.000 1.188 509 F CA -0.058 57.848 58.000 -0.157 0.000 1.376 509 F CB 0.284 39.164 39.000 -0.201 0.000 1.104 509 F HN 0.691 nan 8.300 nan 0.000 0.616 510 H N 4.237 122.449 119.070 -1.430 0.000 3.235 510 H HA 0.447 5.012 4.556 0.015 0.000 0.324 510 H C 0.335 174.921 175.328 -1.237 0.000 1.059 510 H CA -0.203 55.192 56.048 -1.088 0.000 1.497 510 H CB 1.057 30.535 29.762 -0.472 0.000 1.986 510 H HN 0.787 nan 8.280 nan 0.000 0.444 511 A N 3.288 125.243 122.820 -1.443 0.000 1.920 511 A HA -0.382 3.947 4.320 0.015 0.000 0.229 511 A C 1.947 179.329 177.584 -0.338 0.000 1.516 511 A CA 2.570 54.219 52.037 -0.647 0.000 0.714 511 A CB -0.666 18.090 19.000 -0.408 0.000 0.845 511 A HN 0.875 nan 8.150 nan 0.000 0.493 512 D N -0.654 119.553 120.400 -0.321 0.000 2.228 512 D HA -0.159 4.490 4.640 0.015 0.000 0.203 512 D C 1.645 177.956 176.300 0.018 0.000 0.988 512 D CA 1.102 55.084 54.000 -0.029 0.000 0.864 512 D CB -0.478 40.407 40.800 0.142 0.000 0.928 512 D HN 0.639 nan 8.370 nan 0.000 0.469 513 I N 0.133 120.694 120.570 -0.016 0.000 2.248 513 I HA -0.318 3.861 4.170 0.015 0.000 0.248 513 I C 1.396 177.576 176.117 0.105 0.000 1.107 513 I CA 1.226 62.547 61.300 0.035 0.000 1.373 513 I CB 0.102 38.092 38.000 -0.018 0.000 1.055 513 I HN 0.050 nan 8.210 nan 0.000 0.418 514 c N 0.310 118.996 118.600 0.143 0.000 2.514 514 c HA 0.062 4.641 4.570 0.015 0.000 0.271 514 c C 1.529 175.679 174.090 0.100 0.000 1.399 514 c CA 0.531 56.959 56.329 0.165 0.000 1.765 514 c CB -0.974 41.669 42.510 0.221 0.000 1.893 514 c HN 0.489 nan 8.230 nan 0.000 0.531 515 T N 1.704 116.302 114.554 0.073 0.000 3.350 515 T HA 0.436 4.795 4.350 0.015 0.000 0.246 515 T C -0.178 174.549 174.700 0.044 0.000 1.284 515 T CA 0.143 62.275 62.100 0.052 0.000 1.329 515 T CB -0.113 68.780 68.868 0.041 0.000 1.033 515 T HN 0.242 nan 8.240 nan 0.000 0.632 516 L N 1.591 122.842 121.223 0.048 0.000 2.334 516 L HA 0.594 4.943 4.340 0.015 0.000 0.272 516 L C 0.965 177.854 176.870 0.032 0.000 1.020 516 L CA -0.944 53.921 54.840 0.041 0.000 0.812 516 L CB 1.587 43.674 42.059 0.047 0.000 1.264 516 L HN 0.390 nan 8.230 nan 0.000 0.439 517 S N -0.449 115.267 115.700 0.026 0.000 2.655 517 S HA 0.104 4.584 4.470 0.015 0.000 0.265 517 S C 0.748 175.355 174.600 0.011 0.000 1.240 517 S CA -0.493 57.718 58.200 0.019 0.000 0.986 517 S CB 1.420 64.632 63.200 0.020 0.000 0.985 517 S HN 0.649 nan 8.310 nan 0.000 0.562 518 E N 1.183 121.383 120.200 0.000 0.000 2.085 518 E HA -0.106 4.253 4.350 0.015 0.000 0.194 518 E C 2.350 178.939 176.600 -0.018 0.000 0.994 518 E CA 2.292 58.678 56.400 -0.022 0.000 0.801 518 E CB -0.955 28.727 29.700 -0.030 0.000 0.743 518 E HN 0.765 nan 8.360 nan 0.000 0.453 519 K N 0.627 121.031 120.400 0.006 0.000 1.985 519 K HA -0.128 4.201 4.320 0.015 0.000 0.210 519 K C 2.343 178.963 176.600 0.033 0.000 1.047 519 K CA 1.809 58.112 56.287 0.026 0.000 0.932 519 K CB -1.385 31.136 32.500 0.034 0.000 0.716 519 K HN 0.220 nan 8.250 nan 0.000 0.439 520 E N -0.107 120.110 120.200 0.029 0.000 2.118 520 E HA -0.197 4.162 4.350 0.015 0.000 0.195 520 E C 2.236 178.859 176.600 0.038 0.000 0.992 520 E CA 1.211 57.630 56.400 0.031 0.000 0.804 520 E CB -0.389 29.328 29.700 0.027 0.000 0.741 520 E HN 0.668 nan 8.360 nan 0.000 0.458 521 R N 0.550 121.070 120.500 0.033 0.000 2.080 521 R HA -0.224 4.125 4.340 0.015 0.000 0.236 521 R C 2.488 178.824 176.300 0.060 0.000 1.137 521 R CA 2.106 58.232 56.100 0.043 0.000 0.943 521 R CB -0.300 30.012 30.300 0.020 0.000 0.846 521 R HN 0.376 nan 8.270 nan 0.000 0.431 522 Q N 0.166 119.991 119.800 0.042 0.000 2.135 522 Q HA -0.158 4.192 4.340 0.015 0.000 0.204 522 Q C 2.221 178.331 176.000 0.183 0.000 0.981 522 Q CA 1.870 57.756 55.803 0.139 0.000 0.856 522 Q CB -0.135 28.681 28.738 0.131 0.000 0.902 522 Q HN 0.467 nan 8.270 nan 0.000 0.425 523 I N 0.458 121.094 120.570 0.109 0.000 2.315 523 I HA -0.258 3.921 4.170 0.015 0.000 0.248 523 I C 2.129 178.282 176.117 0.060 0.000 1.117 523 I CA 0.845 62.190 61.300 0.076 0.000 1.404 523 I CB -0.138 37.888 38.000 0.044 0.000 1.071 523 I HN 0.085 nan 8.210 nan 0.000 0.419 524 K N 0.941 121.380 120.400 0.065 0.000 2.025 524 K HA -0.172 4.158 4.320 0.015 0.000 0.207 524 K C 2.074 178.728 176.600 0.089 0.000 1.049 524 K CA 1.257 57.580 56.287 0.060 0.000 0.933 524 K CB -0.427 32.119 32.500 0.078 0.000 0.714 524 K HN 0.230 nan 8.250 nan 0.000 0.438 525 K N 1.378 121.854 120.400 0.128 0.000 2.097 525 K HA -0.157 4.173 4.320 0.015 0.000 0.206 525 K C 2.147 178.824 176.600 0.129 0.000 1.049 525 K CA 1.339 57.720 56.287 0.156 0.000 0.933 525 K CB 0.118 32.746 32.500 0.213 0.000 0.717 525 K HN 0.171 nan 8.250 nan 0.000 0.442 526 Q N -0.760 119.113 119.800 0.122 0.000 2.172 526 Q HA -0.091 4.258 4.340 0.015 0.000 0.200 526 Q C 1.946 177.964 176.000 0.031 0.000 0.964 526 Q CA 1.604 57.445 55.803 0.064 0.000 0.855 526 Q CB 0.122 28.893 28.738 0.055 0.000 0.918 526 Q HN 0.305 nan 8.270 nan 0.000 0.444 527 T N 1.039 115.607 114.554 0.024 0.000 2.708 527 T HA -0.182 4.177 4.350 0.015 0.000 0.266 527 T C 1.945 176.644 174.700 -0.001 0.000 1.037 527 T CA 1.301 63.393 62.100 -0.013 0.000 1.146 527 T CB -0.336 68.503 68.868 -0.048 0.000 0.865 527 T HN 0.405 nan 8.240 nan 0.000 0.435 528 A N 1.407 124.249 122.820 0.036 0.000 1.892 528 A HA -0.089 4.240 4.320 0.015 0.000 0.218 528 A C 2.245 179.886 177.584 0.095 0.000 1.188 528 A CA 1.560 53.666 52.037 0.114 0.000 0.631 528 A CB -0.930 18.129 19.000 0.098 0.000 0.822 528 A HN 0.413 nan 8.150 nan 0.000 0.447 529 L N -0.033 121.227 121.223 0.061 0.000 2.083 529 L HA -0.117 4.232 4.340 0.015 0.000 0.209 529 L C 2.361 179.262 176.870 0.051 0.000 1.083 529 L CA 1.938 56.809 54.840 0.051 0.000 0.752 529 L CB -0.475 41.602 42.059 0.030 0.000 0.899 529 L HN 0.178 nan 8.230 nan 0.000 0.433 530 V N -0.682 119.254 119.914 0.038 0.000 2.323 530 V HA -0.173 3.956 4.120 0.015 0.000 0.244 530 V C 2.595 178.729 176.094 0.067 0.000 1.041 530 V CA 1.511 63.830 62.300 0.031 0.000 1.025 530 V CB -0.729 31.096 31.823 0.003 0.000 0.656 530 V HN 0.378 nan 8.190 nan 0.000 0.451 531 E N 0.162 120.411 120.200 0.081 0.000 2.130 531 E HA -0.226 4.133 4.350 0.015 0.000 0.196 531 E C 2.163 178.893 176.600 0.217 0.000 0.998 531 E CA 1.226 57.707 56.400 0.136 0.000 0.806 531 E CB -0.432 29.351 29.700 0.139 0.000 0.738 531 E HN 0.495 nan 8.360 nan 0.000 0.459 532 L N 0.415 121.756 121.223 0.196 0.000 1.994 532 L HA -0.169 4.180 4.340 0.015 0.000 0.208 532 L C 2.375 179.355 176.870 0.183 0.000 1.071 532 L CA 1.148 56.109 54.840 0.201 0.000 0.745 532 L CB -0.262 41.872 42.059 0.124 0.000 0.892 532 L HN 0.009 nan 8.230 nan 0.000 0.431 533 V N 0.083 120.070 119.914 0.122 0.000 2.407 533 V HA -0.307 3.822 4.120 0.015 0.000 0.248 533 V C 2.452 178.624 176.094 0.131 0.000 1.055 533 V CA 1.763 64.119 62.300 0.093 0.000 1.049 533 V CB -0.576 31.275 31.823 0.047 0.000 0.662 533 V HN 0.436 nan 8.190 nan 0.000 0.455 534 K N -0.792 119.702 120.400 0.156 0.000 2.211 534 K HA -0.193 4.136 4.320 0.015 0.000 0.203 534 K C 2.175 178.991 176.600 0.360 0.000 1.050 534 K CA 1.476 57.901 56.287 0.230 0.000 0.945 534 K CB -0.184 32.427 32.500 0.185 0.000 0.732 534 K HN 0.579 nan 8.250 nan 0.000 0.451 535 H N 0.202 119.388 119.070 0.192 0.000 2.465 535 H HA 0.068 4.633 4.556 0.015 0.000 0.289 535 H C 0.395 175.802 175.328 0.131 0.000 1.022 535 H CA 1.509 57.660 56.048 0.172 0.000 1.340 535 H CB 0.409 30.286 29.762 0.192 0.000 1.437 535 H HN -0.026 nan 8.280 nan 0.000 0.539 536 K N 0.583 120.971 120.400 -0.021 0.000 3.084 536 K HA 0.322 4.652 4.320 0.015 0.000 0.172 536 K C -2.296 174.311 176.600 0.012 0.000 1.078 536 K CA -1.069 55.156 56.287 -0.103 0.000 0.875 536 K CB 0.008 32.445 32.500 -0.105 0.000 1.064 536 K HN 0.216 nan 8.250 nan 0.000 0.597 537 P HA -0.231 nan 4.420 nan 0.000 0.218 537 P C 1.328 178.657 177.300 0.049 0.000 1.152 537 P CA 2.218 65.380 63.100 0.103 0.000 0.857 537 P CB 0.225 32.047 31.700 0.203 0.000 0.787 538 K N -1.323 119.090 120.400 0.023 0.000 2.708 538 K HA 0.571 4.900 4.320 0.015 0.000 0.219 538 K C 0.718 177.320 176.600 0.003 0.000 1.068 538 K CA 0.333 56.625 56.287 0.010 0.000 1.212 538 K CB -1.024 31.476 32.500 0.000 0.000 0.978 538 K HN 0.290 nan 8.250 nan 0.000 0.475 539 A N 0.094 122.918 122.820 0.007 0.000 2.272 539 A HA 0.668 4.997 4.320 0.015 0.000 0.275 539 A C 0.422 178.013 177.584 0.011 0.000 1.096 539 A CA -0.112 51.930 52.037 0.007 0.000 0.822 539 A CB 0.497 19.506 19.000 0.015 0.000 1.088 539 A HN 0.321 nan 8.150 nan 0.000 0.495 540 T N 0.522 115.084 114.554 0.012 0.000 2.895 540 T HA 0.530 4.889 4.350 0.015 0.000 0.283 540 T C 1.755 176.466 174.700 0.018 0.000 1.014 540 T CA 0.077 62.184 62.100 0.013 0.000 1.037 540 T CB 1.573 70.448 68.868 0.012 0.000 1.006 540 T HN 0.885 nan 8.240 nan 0.000 0.468 541 K N 1.758 122.169 120.400 0.018 0.000 2.127 541 K HA -0.197 4.133 4.320 0.015 0.000 0.208 541 K C 1.880 178.495 176.600 0.025 0.000 1.047 541 K CA 2.112 58.411 56.287 0.021 0.000 0.927 541 K CB -0.808 31.704 32.500 0.021 0.000 0.716 541 K HN 0.678 nan 8.250 nan 0.000 0.450 542 E N 0.522 120.736 120.200 0.023 0.000 2.008 542 E HA -0.150 4.209 4.350 0.015 0.000 0.191 542 E C 2.368 178.984 176.600 0.026 0.000 0.986 542 E CA 1.607 58.022 56.400 0.024 0.000 0.807 542 E CB -0.224 29.488 29.700 0.020 0.000 0.766 542 E HN 0.832 nan 8.360 nan 0.000 0.450 543 Q N 0.356 120.170 119.800 0.022 0.000 2.443 543 Q HA -0.137 4.212 4.340 0.015 0.000 0.213 543 Q C 1.896 177.915 176.000 0.031 0.000 0.982 543 Q CA 1.010 56.827 55.803 0.023 0.000 0.894 543 Q CB -0.243 28.504 28.738 0.015 0.000 0.947 543 Q HN 0.280 nan 8.270 nan 0.000 0.480 544 L N 0.458 121.701 121.223 0.033 0.000 2.095 544 L HA -0.092 4.257 4.340 0.015 0.000 0.204 544 L C 3.038 179.939 176.870 0.051 0.000 1.080 544 L CA 1.380 56.244 54.840 0.041 0.000 0.759 544 L CB -0.672 41.409 42.059 0.036 0.000 0.914 544 L HN 0.370 nan 8.230 nan 0.000 0.439 545 K N 0.540 120.969 120.400 0.048 0.000 2.009 545 K HA -0.165 4.165 4.320 0.015 0.000 0.210 545 K C 2.190 178.829 176.600 0.066 0.000 1.049 545 K CA 1.677 57.999 56.287 0.058 0.000 0.929 545 K CB -1.436 31.095 32.500 0.051 0.000 0.714 545 K HN 0.410 nan 8.250 nan 0.000 0.440 546 A N 0.627 123.479 122.820 0.053 0.000 1.869 546 A HA -0.123 4.206 4.320 0.015 0.000 0.218 546 A C 2.615 180.240 177.584 0.068 0.000 1.203 546 A CA 2.431 54.499 52.037 0.052 0.000 0.638 546 A CB -0.930 18.091 19.000 0.036 0.000 0.831 546 A HN 0.428 nan 8.150 nan 0.000 0.450 547 V N -0.193 119.762 119.914 0.069 0.000 2.287 547 V HA -0.328 3.801 4.120 0.015 0.000 0.248 547 V C 2.714 178.894 176.094 0.144 0.000 1.053 547 V CA 2.172 64.526 62.300 0.091 0.000 1.027 547 V CB -0.683 31.184 31.823 0.074 0.000 0.646 547 V HN 0.529 nan 8.190 nan 0.000 0.447 548 M N -0.421 119.253 119.600 0.123 0.000 2.106 548 M HA -0.196 4.293 4.480 0.015 0.000 0.259 548 M C 1.998 178.416 176.300 0.196 0.000 1.068 548 M CA 1.832 57.221 55.300 0.150 0.000 1.100 548 M CB -1.385 31.284 32.600 0.115 0.000 1.351 548 M HN 0.409 nan 8.290 nan 0.000 0.404 549 D N 0.697 121.187 120.400 0.150 0.000 2.084 549 D HA -0.124 4.525 4.640 0.015 0.000 0.194 549 D C 1.876 178.267 176.300 0.152 0.000 0.990 549 D CA 2.042 56.125 54.000 0.139 0.000 0.826 549 D CB -0.829 40.029 40.800 0.096 0.000 0.971 549 D HN 0.546 nan 8.370 nan 0.000 0.453 550 D N 0.219 120.698 120.400 0.132 0.000 2.116 550 D HA -0.218 4.431 4.640 0.015 0.000 0.193 550 D C 1.949 178.344 176.300 0.158 0.000 0.998 550 D CA 1.115 55.177 54.000 0.103 0.000 0.836 550 D CB -1.009 39.824 40.800 0.056 0.000 0.951 550 D HN 0.130 nan 8.370 nan 0.000 0.449 551 F N 1.116 121.129 119.950 0.105 0.000 2.102 551 F HA 0.132 4.668 4.527 0.015 0.000 0.298 551 F C 2.947 178.895 175.800 0.247 0.000 1.105 551 F CA 1.551 59.665 58.000 0.189 0.000 1.239 551 F CB -0.453 38.618 39.000 0.119 0.000 0.991 551 F HN 0.254 nan 8.300 nan 0.000 0.474 552 A N 0.008 123.080 122.820 0.421 0.000 1.908 552 A HA -0.152 4.177 4.320 0.015 0.000 0.218 552 A C 2.395 180.088 177.584 0.181 0.000 1.181 552 A CA 2.039 54.253 52.037 0.295 0.000 0.627 552 A CB -1.543 17.586 19.000 0.215 0.000 0.818 552 A HN 0.442 nan 8.150 nan 0.000 0.445 553 A N -0.994 121.913 122.820 0.145 0.000 1.902 553 A HA -0.014 4.315 4.320 0.015 0.000 0.217 553 A C 2.035 179.645 177.584 0.043 0.000 1.181 553 A CA 1.674 53.757 52.037 0.077 0.000 0.623 553 A CB -0.757 18.283 19.000 0.067 0.000 0.818 553 A HN 0.829 nan 8.150 nan 0.000 0.443 554 F N 0.553 120.455 119.950 -0.081 0.000 2.069 554 F HA -0.176 4.360 4.527 0.015 0.000 0.298 554 F C 2.233 177.925 175.800 -0.179 0.000 1.113 554 F CA 2.104 59.990 58.000 -0.190 0.000 1.214 554 F CB -0.839 37.953 39.000 -0.346 0.000 0.978 554 F HN 0.067 nan 8.300 nan 0.000 0.474 555 V N 0.990 120.620 119.914 -0.473 0.000 2.407 555 V HA -0.230 3.899 4.120 0.015 0.000 0.248 555 V C 2.541 178.516 176.094 -0.198 0.000 1.055 555 V CA 2.894 65.006 62.300 -0.314 0.000 1.049 555 V CB -1.076 30.906 31.823 0.265 0.000 0.662 555 V HN 0.598 nan 8.190 nan 0.000 0.455 556 E N 0.004 120.147 120.200 -0.095 0.000 2.077 556 E HA -0.246 4.113 4.350 0.015 0.000 0.193 556 E C 2.218 178.734 176.600 -0.141 0.000 0.989 556 E CA 2.386 58.752 56.400 -0.057 0.000 0.800 556 E CB -1.013 28.684 29.700 -0.006 0.000 0.746 556 E HN 0.813 nan 8.360 nan 0.000 0.452 557 K N 0.048 120.324 120.400 -0.207 0.000 1.973 557 K HA -0.069 4.260 4.320 0.015 0.000 0.212 557 K C 2.498 178.895 176.600 -0.338 0.000 1.047 557 K CA 1.360 57.518 56.287 -0.216 0.000 0.937 557 K CB -1.570 30.824 32.500 -0.177 0.000 0.721 557 K HN 0.570 nan 8.250 nan 0.000 0.440 558 c N 0.017 118.229 118.600 -0.647 0.000 2.401 558 c HA -0.106 4.473 4.570 0.015 0.000 0.286 558 c C 2.843 176.565 174.090 -0.613 0.000 1.332 558 c CA 0.779 56.551 56.329 -0.927 0.000 1.795 558 c CB -1.539 39.691 42.510 -2.133 0.000 1.922 558 c HN 0.764 nan 8.230 nan 0.000 0.520 559 c N -0.234 118.175 118.600 -0.318 0.000 2.512 559 c HA 0.016 4.595 4.570 0.015 0.000 0.276 559 c C 2.193 176.259 174.090 -0.040 0.000 1.368 559 c CA 0.394 56.710 56.329 -0.020 0.000 1.755 559 c CB -0.850 41.719 42.510 0.099 0.000 2.008 559 c HN 0.518 nan 8.230 nan 0.000 0.511 560 K N 1.592 121.938 120.400 -0.090 0.000 2.687 560 K HA 0.201 4.530 4.320 0.015 0.000 0.197 560 K C 1.081 177.645 176.600 -0.061 0.000 1.018 560 K CA 0.799 57.050 56.287 -0.060 0.000 1.035 560 K CB -0.932 31.526 32.500 -0.069 0.000 0.834 560 K HN 0.556 nan 8.250 nan 0.000 0.496 561 A N 0.401 123.181 122.820 -0.067 0.000 5.949 561 A HA -0.262 4.068 4.320 0.015 0.000 0.275 561 A C 0.799 178.340 177.584 -0.071 0.000 2.055 561 A CA 2.846 54.850 52.037 -0.054 0.000 0.713 561 A CB -1.570 17.421 19.000 -0.015 0.000 1.146 561 A HN 0.670 nan 8.150 nan 0.000 0.370 562 D N -2.707 117.667 120.400 -0.043 0.000 4.811 562 D HA 0.093 4.742 4.640 0.015 0.000 0.161 562 D C -0.041 176.241 176.300 -0.029 0.000 0.643 562 D CA 1.461 55.438 54.000 -0.038 0.000 1.489 562 D CB -1.581 39.187 40.800 -0.053 0.000 0.966 562 D HN 2.054 nan 8.370 nan 0.000 0.552 563 D N 0.889 121.263 120.400 -0.043 0.000 2.441 563 D HA 0.402 5.052 4.640 0.015 0.000 0.287 563 D C 1.104 177.363 176.300 -0.069 0.000 1.198 563 D CA -0.087 53.895 54.000 -0.030 0.000 0.894 563 D CB 0.416 41.206 40.800 -0.017 0.000 1.070 563 D HN 0.540 nan 8.370 nan 0.000 0.499 564 K N 0.593 120.943 120.400 -0.083 0.000 2.081 564 K HA -0.272 4.057 4.320 0.015 0.000 0.222 564 K C 1.590 177.993 176.600 -0.328 0.000 1.055 564 K CA 1.742 57.917 56.287 -0.185 0.000 0.954 564 K CB 0.113 32.566 32.500 -0.078 0.000 0.732 564 K HN 0.401 nan 8.250 nan 0.000 0.458 565 E N -0.252 119.811 120.200 -0.228 0.000 2.171 565 E HA -0.181 4.178 4.350 0.015 0.000 0.197 565 E C 1.994 178.575 176.600 -0.032 0.000 0.997 565 E CA 1.664 57.990 56.400 -0.124 0.000 0.810 565 E CB -0.037 29.734 29.700 0.119 0.000 0.738 565 E HN 0.434 nan 8.360 nan 0.000 0.467 566 T N 0.171 114.704 114.554 -0.036 0.000 2.809 566 T HA -0.135 4.225 4.350 0.015 0.000 0.260 566 T C 2.050 176.733 174.700 -0.028 0.000 1.039 566 T CA 0.903 62.998 62.100 -0.009 0.000 1.141 566 T CB -0.606 68.255 68.868 -0.012 0.000 0.869 566 T HN 0.305 nan 8.240 nan 0.000 0.437 567 c N 1.052 119.590 118.600 -0.103 0.000 2.386 567 c HA -0.156 4.423 4.570 0.015 0.000 0.279 567 c C 2.352 176.392 174.090 -0.083 0.000 1.208 567 c CA 0.795 57.033 56.329 -0.151 0.000 1.747 567 c CB -1.675 40.645 42.510 -0.315 0.000 2.046 567 c HN 0.559 nan 8.230 nan 0.000 0.453 568 F N 1.361 121.232 119.950 -0.132 0.000 2.120 568 F HA -0.151 4.386 4.527 0.016 0.000 0.300 568 F C 2.554 178.450 175.800 0.161 0.000 1.095 568 F CA 1.942 59.968 58.000 0.043 0.000 1.249 568 F CB -0.583 38.282 39.000 -0.225 0.000 0.995 568 F HN 0.370 nan 8.300 nan 0.000 0.480 569 A N 0.058 123.019 122.820 0.236 0.000 1.840 569 A HA -0.117 4.213 4.320 0.015 0.000 0.214 569 A C 2.144 179.797 177.584 0.115 0.000 1.198 569 A CA 2.042 54.187 52.037 0.179 0.000 0.608 569 A CB -1.463 17.616 19.000 0.132 0.000 0.839 569 A HN 0.341 nan 8.150 nan 0.000 0.443 570 E N -0.953 119.288 120.200 0.069 0.000 2.012 570 E HA -0.195 4.164 4.350 0.015 0.000 0.197 570 E C 2.108 178.718 176.600 0.017 0.000 1.007 570 E CA 2.779 59.199 56.400 0.032 0.000 0.816 570 E CB -1.513 28.192 29.700 0.008 0.000 0.762 570 E HN 0.892 nan 8.360 nan 0.000 0.451 571 E N 0.457 120.675 120.200 0.030 0.000 2.150 571 E HA 0.111 4.470 4.350 0.015 0.000 0.193 571 E C 2.567 179.071 176.600 -0.159 0.000 0.985 571 E CA 1.435 57.827 56.400 -0.013 0.000 0.814 571 E CB -1.233 28.530 29.700 0.106 0.000 0.752 571 E HN 0.655 nan 8.360 nan 0.000 0.466 572 G N 0.850 109.629 108.800 -0.036 0.000 2.453 572 G HA2 -0.275 3.694 3.960 0.015 0.000 0.215 572 G HA3 -0.275 3.694 3.960 0.015 0.000 0.215 572 G C 1.841 176.680 174.900 -0.101 0.000 1.201 572 G CA 1.404 46.416 45.100 -0.147 0.000 0.784 572 G HN 0.543 nan 8.290 nan 0.000 0.545 573 K N 1.218 121.622 120.400 0.006 0.000 2.127 573 K HA -0.129 4.200 4.320 0.015 0.000 0.208 573 K C 2.605 179.184 176.600 -0.035 0.000 1.047 573 K CA 2.407 58.704 56.287 0.018 0.000 0.927 573 K CB -0.552 31.969 32.500 0.035 0.000 0.716 573 K HN 0.325 nan 8.250 nan 0.000 0.450 574 K N 0.372 120.724 120.400 -0.081 0.000 2.057 574 K HA -0.045 4.284 4.320 0.015 0.000 0.207 574 K C 2.169 178.677 176.600 -0.153 0.000 1.049 574 K CA 1.575 57.801 56.287 -0.103 0.000 0.931 574 K CB -0.931 31.504 32.500 -0.108 0.000 0.714 574 K HN 0.201 nan 8.250 nan 0.000 0.440 575 L N 0.508 121.579 121.223 -0.252 0.000 2.044 575 L HA 0.072 4.421 4.340 0.015 0.000 0.205 575 L C 1.389 178.115 176.870 -0.238 0.000 1.075 575 L CA 0.728 55.381 54.840 -0.312 0.000 0.747 575 L CB -0.146 41.581 42.059 -0.554 0.000 0.903 575 L HN 0.243 nan 8.230 nan 0.000 0.435 576 V N 0.000 119.822 119.914 -0.153 0.000 2.409 576 V HA 0.000 4.129 4.120 0.015 0.000 0.244 576 V CA 0.000 62.279 62.300 -0.035 0.000 1.235 576 V CB 0.000 31.954 31.823 0.219 0.000 1.184 576 V HN 0.000 nan 8.190 nan 0.000 0.556