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 2xvu_1_A DATA FIRST_RESID 5 DATA SEQUENCE SEVAHRFKDL GEENFKALVL IAFAQYLQQC PFEDHVKLVN EVTEFAKTcV DATA SEQUENCE ADESAENcDK SLHTLFGDKL cTVATLXXXX XXXXXccAKQ EPERNEcFLQ DATA SEQUENCE HKDDNPNLPR LVRPEVDVMc TAFHDNEETF LKKYLYEIAR RHPYFYAPEL DATA SEQUENCE LFFAKRYKAA FTEccQAADK AAcLLPKLDE LRDEGKASSA KQRLKcASLQ DATA SEQUENCE KFGERAFKAW AVARLSQRFP KAEFAEVSKL VTDLTKVHTE ccHGDLLEcA DATA SEQUENCE DDRADLAKYI cENQDSISSK LKEccEKPLL EKSHcIAEVE NDEMPADLPS DATA SEQUENCE LAADFVESKD VcKNYAEAKD VFLGMFLYEY ARRHPDYSVV LLLRLAKTYE DATA SEQUENCE TTLEKccAAA DPHEcYAKVF DEFKPLVEEP QNLIKQNcEL FEQLGEYKFQ DATA SEQUENCE NALLVRYTKK VPQVSTPTLV EVSRNLGKVG SKccKHPEAK RMPcAEDYLS DATA SEQUENCE VVLNQLcVLH EKTPVSDRVT KccTESLVNR RPcFSALEVD ETYVPKEFNA DATA SEQUENCE ETFTFHADIc TLSEKERQIK KQTALVELVK HKPKATKEQL KAVMDDFAAF DATA SEQUENCE VEKccXXXXX XTcFAEEGKK LVAAS 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 0.000 174.645 174.600 0.076 0.000 1.055 5 S CA 0.000 58.223 58.200 0.039 0.000 1.107 5 S CB 0.000 63.201 63.200 0.001 0.000 0.593 6 E N 3.168 123.406 120.200 0.064 0.000 2.085 6 E HA -0.088 4.176 4.350 -0.144 0.000 0.194 6 E C 1.635 178.289 176.600 0.090 0.000 0.994 6 E CA 2.405 58.838 56.400 0.055 0.000 0.801 6 E CB -0.255 29.450 29.700 0.009 0.000 0.743 6 E HN 0.578 nan 8.360 nan 0.000 0.453 7 V N 0.674 120.635 119.914 0.078 0.000 2.295 7 V HA -0.252 3.782 4.120 -0.144 0.000 0.246 7 V C 2.394 178.578 176.094 0.149 0.000 1.049 7 V CA 1.863 64.246 62.300 0.137 0.000 1.024 7 V CB -1.082 30.739 31.823 -0.002 0.000 0.648 7 V HN 0.439 nan 8.190 nan 0.000 0.447 8 A N -0.418 122.426 122.820 0.039 0.000 1.902 8 A HA -0.305 3.929 4.320 -0.144 0.000 0.217 8 A C 2.232 179.912 177.584 0.160 0.000 1.181 8 A CA 2.089 54.136 52.037 0.018 0.000 0.623 8 A CB -0.907 18.067 19.000 -0.043 0.000 0.818 8 A HN 0.707 nan 8.150 nan 0.000 0.443 9 H N 0.549 119.652 119.070 0.056 0.000 2.252 9 H HA -0.162 4.308 4.556 -0.143 0.000 0.292 9 H C 2.116 177.508 175.328 0.108 0.000 1.082 9 H CA 2.323 58.411 56.048 0.068 0.000 1.229 9 H CB -0.218 29.576 29.762 0.053 0.000 1.353 9 H HN 0.309 nan 8.280 nan 0.000 0.488 10 R N -0.341 120.423 120.500 0.440 0.000 2.096 10 R HA -0.128 4.126 4.340 -0.144 0.000 0.235 10 R C 2.573 179.084 176.300 0.352 0.000 1.127 10 R CA 0.966 57.273 56.100 0.346 0.000 0.968 10 R CB -1.471 28.970 30.300 0.235 0.000 0.861 10 R HN 0.359 nan 8.270 nan 0.000 0.440 11 F N 2.423 122.474 119.950 0.168 0.000 2.126 11 F HA -0.292 4.150 4.527 -0.143 0.000 0.299 11 F C 2.641 178.429 175.800 -0.020 0.000 1.096 11 F CA 2.540 60.498 58.000 -0.070 0.000 1.255 11 F CB -0.332 38.420 39.000 -0.412 0.000 0.997 11 F HN 0.075 nan 8.300 nan 0.000 0.479 12 K N 0.136 120.711 120.400 0.292 0.000 1.984 12 K HA -0.163 4.071 4.320 -0.144 0.000 0.209 12 K C 1.922 178.573 176.600 0.085 0.000 1.046 12 K CA 1.793 58.185 56.287 0.175 0.000 0.934 12 K CB -1.557 31.011 32.500 0.114 0.000 0.717 12 K HN 0.404 nan 8.250 nan 0.000 0.438 13 D N 0.045 120.512 120.400 0.111 0.000 2.172 13 D HA -0.145 4.409 4.640 -0.144 0.000 0.196 13 D C 1.945 178.280 176.300 0.058 0.000 0.999 13 D CA 2.252 56.307 54.000 0.092 0.000 0.856 13 D CB -0.065 40.831 40.800 0.160 0.000 0.934 13 D HN 0.384 nan 8.370 nan 0.000 0.453 14 L N -0.451 120.800 121.223 0.047 0.000 2.556 14 L HA 0.478 4.732 4.340 -0.144 0.000 0.226 14 L C 1.478 178.310 176.870 -0.063 0.000 1.089 14 L CA 1.142 55.988 54.840 0.009 0.000 0.864 14 L CB -0.864 41.222 42.059 0.044 0.000 1.067 14 L HN 0.254 nan 8.230 nan 0.000 0.477 15 G N -0.645 108.061 108.800 -0.157 0.000 2.660 15 G HA2 -0.231 3.643 3.960 -0.144 0.000 0.215 15 G HA3 -0.231 3.643 3.960 -0.144 0.000 0.215 15 G C 0.418 174.989 174.900 -0.549 0.000 1.345 15 G CA 0.504 45.453 45.100 -0.252 0.000 0.877 15 G HN 0.806 nan 8.290 nan 0.000 0.549 16 E N -0.871 119.075 120.200 -0.423 0.000 2.162 16 E HA 0.193 4.456 4.350 -0.144 0.000 0.193 16 E C 2.693 179.224 176.600 -0.114 0.000 0.953 16 E CA 1.567 57.711 56.400 -0.426 0.000 0.849 16 E CB -0.231 29.367 29.700 -0.169 0.000 0.810 16 E HN 0.892 nan 8.360 nan 0.000 0.470 17 E N 1.742 121.910 120.200 -0.053 0.000 2.049 17 E HA -0.266 3.998 4.350 -0.144 0.000 0.198 17 E C 1.776 178.385 176.600 0.015 0.000 1.007 17 E CA 1.848 58.252 56.400 0.007 0.000 0.809 17 E CB -1.087 28.622 29.700 0.016 0.000 0.749 17 E HN 0.251 nan 8.360 nan 0.000 0.450 18 N N -0.747 117.951 118.700 -0.004 0.000 2.106 18 N HA -0.051 4.603 4.740 -0.144 0.000 0.188 18 N C 1.701 177.210 175.510 -0.002 0.000 1.029 18 N CA 1.363 54.411 53.050 -0.003 0.000 0.848 18 N CB -0.590 37.890 38.487 -0.010 0.000 1.007 18 N HN 0.478 nan 8.380 nan 0.000 0.423 19 F N 2.349 122.199 119.950 -0.168 0.000 2.120 19 F HA -0.205 4.238 4.527 -0.140 0.000 0.300 19 F C 2.189 177.929 175.800 -0.099 0.000 1.095 19 F CA 1.606 59.509 58.000 -0.162 0.000 1.249 19 F CB -0.033 38.769 39.000 -0.330 0.000 0.995 19 F HN -0.068 nan 8.300 nan 0.000 0.480 20 K N -0.051 120.455 120.400 0.176 0.000 2.002 20 K HA -0.149 4.084 4.320 -0.144 0.000 0.209 20 K C 2.349 178.934 176.600 -0.026 0.000 1.048 20 K CA 1.231 57.581 56.287 0.106 0.000 0.930 20 K CB -0.619 31.956 32.500 0.125 0.000 0.714 20 K HN 0.360 nan 8.250 nan 0.000 0.438 21 A N 1.463 124.273 122.820 -0.016 0.000 1.865 21 A HA -0.167 4.067 4.320 -0.144 0.000 0.217 21 A C 2.136 179.656 177.584 -0.107 0.000 1.191 21 A CA 1.396 53.414 52.037 -0.031 0.000 0.623 21 A CB -0.788 18.210 19.000 -0.004 0.000 0.826 21 A HN 0.198 nan 8.150 nan 0.000 0.444 22 L N -0.459 120.674 121.223 -0.151 0.000 2.079 22 L HA -0.167 4.086 4.340 -0.144 0.000 0.210 22 L C 2.368 179.064 176.870 -0.290 0.000 1.081 22 L CA 1.024 55.737 54.840 -0.211 0.000 0.752 22 L CB -0.436 41.489 42.059 -0.223 0.000 0.896 22 L HN 0.262 nan 8.230 nan 0.000 0.433 23 V N -0.561 119.130 119.914 -0.371 0.000 2.719 23 V HA -0.189 3.844 4.120 -0.144 0.000 0.252 23 V C 2.173 177.932 176.094 -0.559 0.000 1.065 23 V CA 0.932 62.940 62.300 -0.487 0.000 1.086 23 V CB -0.021 31.448 31.823 -0.589 0.000 0.700 23 V HN 0.305 nan 8.190 nan 0.000 0.467 24 L N 0.010 121.055 121.223 -0.296 0.000 2.072 24 L HA -0.037 4.217 4.340 -0.144 0.000 0.205 24 L C 2.115 178.900 176.870 -0.141 0.000 1.079 24 L CA 1.850 56.604 54.840 -0.144 0.000 0.752 24 L CB -0.342 41.717 42.059 0.000 0.000 0.906 24 L HN 0.198 nan 8.230 nan 0.000 0.436 25 I N -0.444 120.024 120.570 -0.170 0.000 2.252 25 I HA -0.258 3.826 4.170 -0.144 0.000 0.245 25 I C 2.587 178.574 176.117 -0.217 0.000 1.102 25 I CA 1.077 62.271 61.300 -0.177 0.000 1.385 25 I CB -0.642 37.254 38.000 -0.173 0.000 1.064 25 I HN 0.345 nan 8.210 nan 0.000 0.414 26 A N 1.037 123.697 122.820 -0.266 0.000 1.902 26 A HA -0.199 4.035 4.320 -0.144 0.000 0.217 26 A C 2.110 179.613 177.584 -0.135 0.000 1.181 26 A CA 1.566 53.412 52.037 -0.319 0.000 0.623 26 A CB -0.768 18.029 19.000 -0.339 0.000 0.818 26 A HN 0.301 nan 8.150 nan 0.000 0.443 27 F N -0.015 119.829 119.950 -0.178 0.000 2.113 27 F HA -0.007 4.433 4.527 -0.146 0.000 0.297 27 F C 2.814 178.381 175.800 -0.387 0.000 1.103 27 F CA 0.325 58.231 58.000 -0.156 0.000 1.248 27 F CB -1.327 37.635 39.000 -0.064 0.000 0.999 27 F HN 0.272 nan 8.300 nan 0.000 0.475 28 A N -0.783 121.838 122.820 -0.332 0.000 2.225 28 A HA -0.152 4.082 4.320 -0.144 0.000 0.215 28 A C 1.966 179.450 177.584 -0.167 0.000 1.164 28 A CA 1.161 53.000 52.037 -0.330 0.000 0.710 28 A CB -0.645 18.242 19.000 -0.189 0.000 0.780 28 A HN 0.521 nan 8.150 nan 0.000 0.473 29 Q N -2.677 117.031 119.800 -0.153 0.000 2.350 29 Q HA 0.096 4.350 4.340 -0.144 0.000 0.225 29 Q C 0.952 176.930 176.000 -0.036 0.000 0.878 29 Q CA 0.233 55.940 55.803 -0.160 0.000 0.935 29 Q CB 0.220 28.794 28.738 -0.273 0.000 1.099 29 Q HN 0.735 nan 8.270 nan 0.000 0.527 30 Y N -0.058 120.205 120.300 -0.061 0.000 2.389 30 Y HA 0.198 4.663 4.550 -0.142 0.000 0.292 30 Y C 0.725 176.639 175.900 0.023 0.000 1.117 30 Y CA 0.297 58.359 58.100 -0.064 0.000 1.195 30 Y CB 0.769 39.097 38.460 -0.221 0.000 1.076 30 Y HN -0.091 nan 8.280 nan 0.000 0.548 31 L N 1.081 122.443 121.223 0.231 0.000 2.457 31 L HA 0.280 4.534 4.340 -0.144 0.000 0.252 31 L C 0.564 177.584 176.870 0.250 0.000 1.132 31 L CA -0.092 54.887 54.840 0.232 0.000 0.938 31 L CB 1.287 43.505 42.059 0.265 0.000 1.246 31 L HN 0.018 nan 8.230 nan 0.000 0.476 32 Q N -0.714 119.171 119.800 0.142 0.000 2.369 32 Q HA -0.111 4.142 4.340 -0.144 0.000 0.206 32 Q C 1.653 177.711 176.000 0.097 0.000 0.963 32 Q CA 0.819 56.668 55.803 0.077 0.000 0.894 32 Q CB 0.215 28.954 28.738 0.002 0.000 0.965 32 Q HN 0.561 nan 8.270 nan 0.000 0.475 33 Q N -0.779 119.090 119.800 0.115 0.000 2.408 33 Q HA 0.068 4.322 4.340 -0.144 0.000 0.205 33 Q C 0.748 176.820 176.000 0.120 0.000 0.919 33 Q CA 0.040 55.900 55.803 0.094 0.000 0.932 33 Q CB 0.107 28.881 28.738 0.060 0.000 1.058 33 Q HN 0.452 nan 8.270 nan 0.000 0.517 34 C N 2.344 121.737 119.300 0.154 0.000 2.652 34 C HA 0.313 4.687 4.460 -0.144 0.000 0.412 34 C C -1.808 173.264 174.990 0.136 0.000 1.294 34 C CA -1.364 57.688 59.018 0.056 0.000 2.127 34 C CB 0.146 27.800 27.740 -0.143 0.000 2.691 34 C HN 0.404 nan 8.230 nan 0.000 0.615 35 P HA 0.045 nan 4.420 nan 0.000 0.270 35 P C 0.570 177.844 177.300 -0.044 0.000 1.223 35 P CA -0.223 62.919 63.100 0.070 0.000 0.785 35 P CB 0.247 31.947 31.700 0.000 0.000 0.923 36 F N 2.505 122.233 119.950 -0.370 0.000 2.126 36 F HA -0.237 4.204 4.527 -0.144 0.000 0.299 36 F C 1.798 177.401 175.800 -0.329 0.000 1.096 36 F CA 1.797 59.344 58.000 -0.754 0.000 1.255 36 F CB -0.554 37.999 39.000 -0.745 0.000 0.997 36 F HN 0.271 nan 8.300 nan 0.000 0.479 37 E N 0.482 120.433 120.200 -0.415 0.000 2.049 37 E HA -0.263 4.001 4.350 -0.144 0.000 0.198 37 E C 1.921 178.308 176.600 -0.355 0.000 1.007 37 E CA 1.765 57.906 56.400 -0.432 0.000 0.809 37 E CB -1.167 28.411 29.700 -0.203 0.000 0.749 37 E HN 0.503 nan 8.360 nan 0.000 0.450 38 D N 0.536 120.769 120.400 -0.278 0.000 2.123 38 D HA -0.165 4.389 4.640 -0.144 0.000 0.196 38 D C 1.957 178.134 176.300 -0.205 0.000 0.992 38 D CA 1.156 55.006 54.000 -0.250 0.000 0.833 38 D CB -0.357 40.267 40.800 -0.295 0.000 0.954 38 D HN 0.325 nan 8.370 nan 0.000 0.455 39 H N 0.481 119.501 119.070 -0.083 0.000 2.357 39 H HA -0.037 4.434 4.556 -0.141 0.000 0.301 39 H C 2.543 177.866 175.328 -0.008 0.000 1.082 39 H CA 0.432 56.514 56.048 0.055 0.000 1.342 39 H CB -0.405 29.450 29.762 0.155 0.000 1.389 39 H HN 0.014 nan 8.280 nan 0.000 0.511 40 V N 1.414 121.237 119.914 -0.153 0.000 2.287 40 V HA -0.278 3.756 4.120 -0.144 0.000 0.248 40 V C 2.625 178.668 176.094 -0.085 0.000 1.053 40 V CA 2.163 64.327 62.300 -0.227 0.000 1.027 40 V CB -0.490 30.989 31.823 -0.574 0.000 0.646 40 V HN 0.354 nan 8.190 nan 0.000 0.447 41 K N -0.007 120.330 120.400 -0.104 0.000 2.063 41 K HA -0.178 4.056 4.320 -0.144 0.000 0.208 41 K C 2.088 178.703 176.600 0.025 0.000 1.048 41 K CA 1.723 57.981 56.287 -0.049 0.000 0.928 41 K CB -0.217 32.238 32.500 -0.076 0.000 0.713 41 K HN 0.444 nan 8.250 nan 0.000 0.442 42 L N 0.468 121.738 121.223 0.080 0.000 2.109 42 L HA -0.115 4.138 4.340 -0.144 0.000 0.207 42 L C 2.399 179.442 176.870 0.288 0.000 1.086 42 L CA 0.425 55.370 54.840 0.176 0.000 0.760 42 L CB -0.326 41.834 42.059 0.168 0.000 0.910 42 L HN -0.002 nan 8.230 nan 0.000 0.437 43 V N 0.382 120.453 119.914 0.262 0.000 2.295 43 V HA -0.273 3.761 4.120 -0.144 0.000 0.246 43 V C 2.302 178.480 176.094 0.141 0.000 1.049 43 V CA 1.884 64.273 62.300 0.149 0.000 1.024 43 V CB -0.641 31.229 31.823 0.078 0.000 0.648 43 V HN 0.493 nan 8.190 nan 0.000 0.447 44 N N 0.118 118.884 118.700 0.110 0.000 2.084 44 N HA -0.174 4.480 4.740 -0.144 0.000 0.190 44 N C 1.850 177.423 175.510 0.106 0.000 1.030 44 N CA 1.578 54.687 53.050 0.099 0.000 0.849 44 N CB -0.331 38.190 38.487 0.056 0.000 1.012 44 N HN 0.596 nan 8.380 nan 0.000 0.423 45 E N 0.468 120.724 120.200 0.093 0.000 2.085 45 E HA -0.123 4.140 4.350 -0.144 0.000 0.194 45 E C 2.007 178.692 176.600 0.141 0.000 0.994 45 E CA 0.947 57.400 56.400 0.087 0.000 0.801 45 E CB 0.012 29.749 29.700 0.061 0.000 0.743 45 E HN 0.083 nan 8.360 nan 0.000 0.453 46 V N 0.995 121.011 119.914 0.169 0.000 2.358 46 V HA -0.233 3.801 4.120 -0.144 0.000 0.246 46 V C 2.302 178.543 176.094 0.246 0.000 1.047 46 V CA 2.085 64.504 62.300 0.199 0.000 1.035 46 V CB -0.663 31.225 31.823 0.108 0.000 0.658 46 V HN 0.332 nan 8.190 nan 0.000 0.452 47 T N -0.585 114.125 114.554 0.261 0.000 2.720 47 T HA -0.183 4.081 4.350 -0.144 0.000 0.268 47 T C 1.901 176.668 174.700 0.112 0.000 1.037 47 T CA 1.425 63.687 62.100 0.270 0.000 1.144 47 T CB -0.241 68.792 68.868 0.274 0.000 0.864 47 T HN 0.415 nan 8.240 nan 0.000 0.444 48 E N 0.887 121.153 120.200 0.110 0.000 2.038 48 E HA -0.088 4.176 4.350 -0.144 0.000 0.195 48 E C 1.887 178.541 176.600 0.089 0.000 1.000 48 E CA 0.805 57.242 56.400 0.063 0.000 0.803 48 E CB -0.681 29.057 29.700 0.063 0.000 0.750 48 E HN 0.403 nan 8.360 nan 0.000 0.448 49 F N 1.669 121.595 119.950 -0.041 0.000 2.147 49 F HA -0.241 4.199 4.527 -0.144 0.000 0.301 49 F C 2.158 177.896 175.800 -0.102 0.000 1.084 49 F CA 1.303 59.273 58.000 -0.049 0.000 1.268 49 F CB -0.911 38.084 39.000 -0.009 0.000 1.009 49 F HN -0.021 nan 8.300 nan 0.000 0.486 50 A N 0.112 122.852 122.820 -0.133 0.000 1.877 50 A HA -0.196 4.038 4.320 -0.144 0.000 0.216 50 A C 2.363 179.590 177.584 -0.594 0.000 1.186 50 A CA 2.201 53.985 52.037 -0.422 0.000 0.620 50 A CB -0.981 17.737 19.000 -0.470 0.000 0.822 50 A HN 0.294 nan 8.150 nan 0.000 0.443 51 K N -0.596 119.457 120.400 -0.577 0.000 2.063 51 K HA -0.133 4.100 4.320 -0.144 0.000 0.208 51 K C 2.480 178.909 176.600 -0.285 0.000 1.048 51 K CA 1.976 57.937 56.287 -0.543 0.000 0.928 51 K CB -1.549 30.760 32.500 -0.319 0.000 0.713 51 K HN 0.971 nan 8.250 nan 0.000 0.442 52 T N -1.691 112.786 114.554 -0.128 0.000 2.951 52 T HA -0.122 4.142 4.350 -0.144 0.000 0.268 52 T C 2.130 176.805 174.700 -0.041 0.000 1.073 52 T CA 1.480 63.558 62.100 -0.036 0.000 1.134 52 T CB -0.859 68.051 68.868 0.069 0.000 0.884 52 T HN 0.403 nan 8.240 nan 0.000 0.479 53 c N 0.930 119.471 118.600 -0.098 0.000 2.464 53 c HA 0.201 4.684 4.570 -0.144 0.000 0.278 53 c C 2.833 176.846 174.090 -0.128 0.000 1.375 53 c CA -0.047 56.217 56.329 -0.108 0.000 1.761 53 c CB -1.041 41.342 42.510 -0.212 0.000 1.944 53 c HN 0.477 nan 8.230 nan 0.000 0.509 54 V N 1.541 121.334 119.914 -0.202 0.000 2.343 54 V HA -0.190 3.844 4.120 -0.144 0.000 0.247 54 V C 2.551 178.584 176.094 -0.101 0.000 1.051 54 V CA 2.188 64.384 62.300 -0.174 0.000 1.036 54 V CB -1.276 30.392 31.823 -0.258 0.000 0.654 54 V HN 0.602 nan 8.190 nan 0.000 0.451 55 A N -0.185 122.579 122.820 -0.093 0.000 1.839 55 A HA -0.142 4.092 4.320 -0.144 0.000 0.213 55 A C 1.371 178.934 177.584 -0.034 0.000 1.274 55 A CA 1.281 53.286 52.037 -0.055 0.000 0.608 55 A CB -0.569 18.402 19.000 -0.047 0.000 0.920 55 A HN 0.456 nan 8.150 nan 0.000 0.465 56 D N 0.277 120.665 120.400 -0.021 0.000 2.422 56 D HA 0.150 4.704 4.640 -0.144 0.000 0.227 56 D C 0.038 176.337 176.300 -0.001 0.000 1.190 56 D CA -0.032 53.965 54.000 -0.005 0.000 0.905 56 D CB 0.600 41.404 40.800 0.007 0.000 1.034 56 D HN 0.461 nan 8.370 nan 0.000 0.507 57 E N 1.855 122.052 120.200 -0.006 0.000 2.381 57 E HA -0.055 4.208 4.350 -0.144 0.000 0.198 57 E C -0.024 176.586 176.600 0.015 0.000 1.204 57 E CA 0.045 56.443 56.400 -0.004 0.000 0.998 57 E CB 0.025 29.722 29.700 -0.005 0.000 1.080 57 E HN 0.144 nan 8.360 nan 0.000 0.481 58 S N -0.370 115.345 115.700 0.026 0.000 2.686 58 S HA 0.365 4.748 4.470 -0.144 0.000 0.223 58 S C -0.660 173.971 174.600 0.052 0.000 0.885 58 S CA -0.189 58.034 58.200 0.039 0.000 1.115 58 S CB 0.550 63.767 63.200 0.029 0.000 1.459 58 S HN 0.248 nan 8.310 nan 0.000 0.444 59 A N 1.733 124.600 122.820 0.077 0.000 2.774 59 A HA 0.680 4.914 4.320 -0.144 0.000 0.326 59 A C 0.858 178.524 177.584 0.135 0.000 1.478 59 A CA 0.350 52.444 52.037 0.096 0.000 1.099 59 A CB -0.357 18.710 19.000 0.111 0.000 1.148 59 A HN 0.802 nan 8.150 nan 0.000 0.519 60 E N 1.752 122.004 120.200 0.087 0.000 3.966 60 E HA -0.331 3.933 4.350 -0.144 0.000 0.204 60 E C 0.463 177.138 176.600 0.125 0.000 1.215 60 E CA 2.886 59.333 56.400 0.078 0.000 2.203 60 E CB -1.226 28.491 29.700 0.029 0.000 1.837 60 E HN 0.740 nan 8.360 nan 0.000 0.327 61 N N -1.074 117.765 118.700 0.232 0.000 2.187 61 N HA 0.229 4.883 4.740 -0.144 0.000 0.212 61 N C 0.494 176.181 175.510 0.296 0.000 1.152 61 N CA 0.604 53.824 53.050 0.284 0.000 0.872 61 N CB 0.368 39.047 38.487 0.318 0.000 1.025 61 N HN 0.325 nan 8.380 nan 0.000 0.514 62 c N 1.538 120.278 118.600 0.234 0.000 2.421 62 c HA -0.078 4.406 4.570 -0.144 0.000 0.296 62 c C 1.976 176.085 174.090 0.031 0.000 1.470 62 c CA 0.529 56.873 56.329 0.025 0.000 1.779 62 c CB -1.050 41.462 42.510 0.003 0.000 1.715 62 c HN 0.587 nan 8.230 nan 0.000 0.564 63 D N 0.917 121.361 120.400 0.075 0.000 2.213 63 D HA -0.053 4.500 4.640 -0.144 0.000 0.205 63 D C 0.726 177.069 176.300 0.071 0.000 0.961 63 D CA 0.368 54.406 54.000 0.064 0.000 0.853 63 D CB -0.278 40.562 40.800 0.066 0.000 0.967 63 D HN 0.428 nan 8.370 nan 0.000 0.496 64 K N 1.271 121.729 120.400 0.096 0.000 2.457 64 K HA 0.067 4.301 4.320 -0.144 0.000 0.269 64 K C 0.773 177.433 176.600 0.101 0.000 0.969 64 K CA 0.139 56.492 56.287 0.110 0.000 0.921 64 K CB 0.392 32.982 32.500 0.149 0.000 0.940 64 K HN 0.188 nan 8.250 nan 0.000 0.517 65 S N 0.664 116.433 115.700 0.115 0.000 2.632 65 S HA 0.168 4.552 4.470 -0.144 0.000 0.271 65 S C 1.413 176.105 174.600 0.154 0.000 1.260 65 S CA -0.832 57.427 58.200 0.099 0.000 1.010 65 S CB 0.654 63.907 63.200 0.089 0.000 0.965 65 S HN 0.538 nan 8.310 nan 0.000 0.534 66 L N 0.568 121.854 121.223 0.106 0.000 2.013 66 L HA -0.189 4.065 4.340 -0.144 0.000 0.212 66 L C 2.721 179.826 176.870 0.392 0.000 1.073 66 L CA 1.626 56.613 54.840 0.245 0.000 0.753 66 L CB -0.976 41.059 42.059 -0.039 0.000 0.890 66 L HN 0.757 nan 8.230 nan 0.000 0.432 67 H N -0.211 118.982 119.070 0.204 0.000 2.289 67 H HA -0.152 4.317 4.556 -0.145 0.000 0.296 67 H C 2.421 177.918 175.328 0.282 0.000 1.091 67 H CA 1.975 58.154 56.048 0.219 0.000 1.274 67 H CB -0.837 29.024 29.762 0.166 0.000 1.364 67 H HN 0.310 nan 8.280 nan 0.000 0.490 68 T N 1.985 116.756 114.554 0.362 0.000 2.607 68 T HA -0.158 4.106 4.350 -0.144 0.000 0.267 68 T C 2.504 177.373 174.700 0.283 0.000 1.049 68 T CA 1.578 63.841 62.100 0.272 0.000 1.162 68 T CB -0.575 68.417 68.868 0.207 0.000 0.863 68 T HN 0.179 nan 8.240 nan 0.000 0.424 69 L N -0.569 120.843 121.223 0.314 0.000 2.017 69 L HA -0.062 4.192 4.340 -0.144 0.000 0.208 69 L C 2.455 179.477 176.870 0.253 0.000 1.073 69 L CA 1.481 56.483 54.840 0.270 0.000 0.745 69 L CB -0.738 41.459 42.059 0.229 0.000 0.894 69 L HN 0.185 nan 8.230 nan 0.000 0.432 70 F N 0.381 120.483 119.950 0.253 0.000 2.186 70 F HA -0.090 4.352 4.527 -0.142 0.000 0.299 70 F C 2.510 178.398 175.800 0.147 0.000 1.090 70 F CA 1.327 59.513 58.000 0.311 0.000 1.307 70 F CB -1.177 38.058 39.000 0.391 0.000 1.019 70 F HN 0.007 nan 8.300 nan 0.000 0.489 71 G N -0.180 108.822 108.800 0.337 0.000 2.433 71 G HA2 -0.221 3.653 3.960 -0.144 0.000 0.216 71 G HA3 -0.221 3.653 3.960 -0.144 0.000 0.216 71 G C 1.420 176.412 174.900 0.155 0.000 1.186 71 G CA 1.088 46.322 45.100 0.224 0.000 0.779 71 G HN 0.223 nan 8.290 nan 0.000 0.543 72 D N 0.432 120.920 120.400 0.146 0.000 2.149 72 D HA -0.089 4.465 4.640 -0.144 0.000 0.198 72 D C 2.647 178.972 176.300 0.041 0.000 0.990 72 D CA 1.199 55.254 54.000 0.092 0.000 0.839 72 D CB -0.157 40.701 40.800 0.096 0.000 0.948 72 D HN 0.232 nan 8.370 nan 0.000 0.460 73 K N 0.285 120.700 120.400 0.026 0.000 2.097 73 K HA 0.010 4.244 4.320 -0.144 0.000 0.205 73 K C 2.490 178.995 176.600 -0.157 0.000 1.050 73 K CA 0.201 56.459 56.287 -0.048 0.000 0.938 73 K CB -0.594 31.890 32.500 -0.027 0.000 0.718 73 K HN 0.295 nan 8.250 nan 0.000 0.442 74 L N -0.214 120.884 121.223 -0.208 0.000 2.109 74 L HA -0.080 4.174 4.340 -0.144 0.000 0.207 74 L C 2.482 179.309 176.870 -0.072 0.000 1.086 74 L CA 0.872 55.559 54.840 -0.255 0.000 0.760 74 L CB -0.503 41.343 42.059 -0.355 0.000 0.910 74 L HN 0.295 nan 8.230 nan 0.000 0.437 75 c N -0.198 118.412 118.600 0.017 0.000 2.449 75 c HA -0.099 4.384 4.570 -0.144 0.000 0.283 75 c C 2.753 176.842 174.090 -0.003 0.000 1.453 75 c CA 1.297 57.653 56.329 0.044 0.000 1.779 75 c CB -1.363 41.187 42.510 0.066 0.000 1.779 75 c HN 0.631 nan 8.230 nan 0.000 0.546 76 T N -2.970 111.567 114.554 -0.029 0.000 3.160 76 T HA 0.076 4.339 4.350 -0.144 0.000 0.257 76 T C 1.017 175.688 174.700 -0.048 0.000 1.147 76 T CA 1.101 63.179 62.100 -0.036 0.000 1.064 76 T CB -0.049 68.793 68.868 -0.043 0.000 0.949 76 T HN 0.352 nan 8.240 nan 0.000 0.526 77 V N -0.735 119.148 119.914 -0.053 0.000 3.157 77 V HA 0.432 4.466 4.120 -0.144 0.000 0.253 77 V C 2.497 178.567 176.094 -0.040 0.000 1.637 77 V CA 0.058 62.322 62.300 -0.061 0.000 1.058 77 V CB -0.444 31.319 31.823 -0.100 0.000 0.917 77 V HN 0.425 nan 8.190 nan 0.000 0.417 78 A N 1.102 123.913 122.820 -0.015 0.000 2.234 78 A HA -0.159 4.075 4.320 -0.144 0.000 0.216 78 A C 1.896 179.479 177.584 -0.002 0.000 1.167 78 A CA 2.021 54.071 52.037 0.022 0.000 0.698 78 A CB -0.809 18.255 19.000 0.106 0.000 0.779 78 A HN 0.673 nan 8.150 nan 0.000 0.475 79 T N -2.921 111.623 114.554 -0.017 0.000 3.317 79 T HA 0.484 4.748 4.350 -0.144 0.000 0.250 79 T C 0.682 175.366 174.700 -0.026 0.000 1.106 79 T CA 0.386 62.469 62.100 -0.027 0.000 0.986 79 T CB -1.403 67.449 68.868 -0.028 0.000 1.010 79 T HN 0.595 nan 8.240 nan 0.000 0.560 91 c N 2.608 121.048 118.600 -0.266 0.000 2.466 91 c HA 0.202 4.686 4.570 -0.144 0.000 0.283 91 c C 2.530 176.568 174.090 -0.087 0.000 1.472 91 c CA 1.433 57.685 56.329 -0.128 0.000 1.765 91 c CB -1.696 40.778 42.510 -0.059 0.000 1.724 91 c HN 0.736 nan 8.230 nan 0.000 0.560 92 A N 0.302 123.060 122.820 -0.104 0.000 2.169 92 A HA 0.323 4.557 4.320 -0.144 0.000 0.212 92 A C 1.343 178.891 177.584 -0.060 0.000 1.153 92 A CA 1.205 53.200 52.037 -0.069 0.000 0.756 92 A CB -0.284 18.675 19.000 -0.070 0.000 0.813 92 A HN 0.585 nan 8.150 nan 0.000 0.471 93 K N -1.208 119.144 120.400 -0.081 0.000 2.209 93 K HA 0.628 4.862 4.320 -0.144 0.000 0.238 93 K C -0.210 176.371 176.600 -0.032 0.000 1.028 93 K CA -0.410 55.840 56.287 -0.061 0.000 0.935 93 K CB 0.169 32.617 32.500 -0.088 0.000 1.162 93 K HN 0.327 nan 8.250 nan 0.000 0.485 94 Q N -0.847 118.946 119.800 -0.012 0.000 2.351 94 Q HA 0.507 4.760 4.340 -0.144 0.000 0.273 94 Q C 1.584 177.604 176.000 0.033 0.000 1.077 94 Q CA 0.112 55.926 55.803 0.017 0.000 0.843 94 Q CB 1.002 29.753 28.738 0.022 0.000 1.367 94 Q HN 1.363 nan 8.270 nan 0.000 0.449 95 E N 0.648 120.887 120.200 0.065 0.000 2.850 95 E HA -0.342 3.921 4.350 -0.144 0.000 0.229 95 E C -0.880 175.766 176.600 0.078 0.000 0.946 95 E CA 2.843 59.300 56.400 0.095 0.000 1.521 95 E CB -3.140 26.622 29.700 0.104 0.000 1.475 95 E HN 0.728 nan 8.360 nan 0.000 0.464 96 P HA 0.116 nan 4.420 nan 0.000 0.213 96 P C 1.865 179.178 177.300 0.021 0.000 1.169 96 P CA 2.839 65.973 63.100 0.056 0.000 0.885 96 P CB -0.354 31.379 31.700 0.054 0.000 0.779 97 E N 0.296 120.500 120.200 0.006 0.000 2.118 97 E HA -0.265 3.999 4.350 -0.144 0.000 0.195 97 E C 2.279 178.839 176.600 -0.066 0.000 0.992 97 E CA 2.316 58.702 56.400 -0.023 0.000 0.804 97 E CB -1.837 27.848 29.700 -0.025 0.000 0.741 97 E HN 0.242 nan 8.360 nan 0.000 0.458 98 R N 1.184 121.646 120.500 -0.062 0.000 2.081 98 R HA -0.085 4.169 4.340 -0.144 0.000 0.235 98 R C 2.194 178.419 176.300 -0.126 0.000 1.131 98 R CA 1.904 57.933 56.100 -0.120 0.000 0.960 98 R CB -1.528 28.757 30.300 -0.026 0.000 0.856 98 R HN 0.698 nan 8.270 nan 0.000 0.436 99 N N -0.330 118.346 118.700 -0.039 0.000 2.135 99 N HA -0.148 4.506 4.740 -0.144 0.000 0.186 99 N C 1.391 176.843 175.510 -0.097 0.000 1.027 99 N CA 1.212 54.225 53.050 -0.062 0.000 0.849 99 N CB 0.021 38.329 38.487 -0.298 0.000 1.002 99 N HN 0.452 nan 8.380 nan 0.000 0.425 100 E N 0.963 121.118 120.200 -0.075 0.000 2.118 100 E HA -0.178 4.085 4.350 -0.144 0.000 0.195 100 E C 2.111 178.680 176.600 -0.052 0.000 0.992 100 E CA 0.370 56.743 56.400 -0.046 0.000 0.804 100 E CB -1.015 28.684 29.700 -0.001 0.000 0.741 100 E HN 0.426 nan 8.360 nan 0.000 0.458 101 c N 0.207 118.744 118.600 -0.105 0.000 2.388 101 c HA -0.201 4.282 4.570 -0.144 0.000 0.277 101 c C 2.557 176.628 174.090 -0.031 0.000 1.210 101 c CA 0.733 56.996 56.329 -0.110 0.000 1.743 101 c CB -1.383 40.943 42.510 -0.307 0.000 2.047 101 c HN 0.318 nan 8.230 nan 0.000 0.458 102 F N 1.286 121.156 119.950 -0.134 0.000 2.091 102 F HA -0.132 4.307 4.527 -0.146 0.000 0.299 102 F C 2.598 178.337 175.800 -0.101 0.000 1.103 102 F CA 2.276 60.129 58.000 -0.246 0.000 1.228 102 F CB -1.353 37.160 39.000 -0.812 0.000 0.984 102 F HN 0.341 nan 8.300 nan 0.000 0.477 103 L N -0.650 120.629 121.223 0.094 0.000 2.079 103 L HA -0.227 4.027 4.340 -0.144 0.000 0.210 103 L C 2.109 179.029 176.870 0.083 0.000 1.081 103 L CA 2.412 57.316 54.840 0.107 0.000 0.752 103 L CB -1.582 40.483 42.059 0.010 0.000 0.896 103 L HN 0.311 nan 8.230 nan 0.000 0.433 104 Q N -1.911 117.900 119.800 0.018 0.000 2.369 104 Q HA -0.136 4.118 4.340 -0.144 0.000 0.206 104 Q C 1.766 177.623 176.000 -0.239 0.000 0.963 104 Q CA 1.271 57.014 55.803 -0.100 0.000 0.894 104 Q CB -0.011 28.621 28.738 -0.176 0.000 0.965 104 Q HN 0.978 nan 8.270 nan 0.000 0.475 105 H N -0.632 118.456 119.070 0.031 0.000 2.586 105 H HA 0.174 4.644 4.556 -0.143 0.000 0.273 105 H C -0.202 175.164 175.328 0.064 0.000 0.997 105 H CA -0.129 55.940 56.048 0.036 0.000 1.177 105 H CB 0.479 30.248 29.762 0.012 0.000 1.471 105 H HN -0.073 nan 8.280 nan 0.000 0.538 106 K N 1.364 121.847 120.400 0.139 0.000 2.469 106 K HA 0.004 4.238 4.320 -0.144 0.000 0.274 106 K C -0.414 176.237 176.600 0.086 0.000 0.983 106 K CA 0.390 56.722 56.287 0.076 0.000 0.974 106 K CB 0.389 32.835 32.500 -0.091 0.000 0.913 106 K HN 0.140 nan 8.250 nan 0.000 0.493 107 D N 1.113 121.553 120.400 0.066 0.000 2.481 107 D HA 0.100 4.654 4.640 -0.144 0.000 0.246 107 D C -0.025 176.320 176.300 0.076 0.000 1.109 107 D CA -0.382 53.661 54.000 0.071 0.000 0.845 107 D CB 1.117 41.947 40.800 0.051 0.000 1.160 107 D HN 0.355 nan 8.370 nan 0.000 0.534 108 D N 2.446 122.915 120.400 0.115 0.000 2.264 108 D HA -0.104 4.449 4.640 -0.144 0.000 0.208 108 D C 0.054 176.381 176.300 0.046 0.000 0.966 108 D CA 0.768 54.838 54.000 0.117 0.000 0.864 108 D CB 0.246 41.116 40.800 0.116 0.000 0.933 108 D HN 0.478 nan 8.370 nan 0.000 0.499 109 N N 0.657 119.371 118.700 0.024 0.000 2.813 109 N HA 0.169 4.823 4.740 -0.144 0.000 0.282 109 N C -2.815 172.687 175.510 -0.013 0.000 1.748 109 N CA -1.453 51.595 53.050 -0.003 0.000 0.860 109 N CB 1.180 39.667 38.487 -0.001 0.000 1.204 109 N HN -0.180 nan 8.380 nan 0.000 0.490 110 P HA 0.082 nan 4.420 nan 0.000 0.271 110 P C -0.964 176.315 177.300 -0.035 0.000 1.220 110 P CA -0.190 62.892 63.100 -0.030 0.000 0.768 110 P CB 0.469 32.136 31.700 -0.055 0.000 0.848 111 N N 3.644 122.331 118.700 -0.021 0.000 2.968 111 N HA 0.160 4.814 4.740 -0.144 0.000 0.271 111 N C -0.282 175.215 175.510 -0.022 0.000 1.174 111 N CA 0.111 53.149 53.050 -0.021 0.000 1.096 111 N CB -0.123 38.357 38.487 -0.012 0.000 1.403 111 N HN 0.356 nan 8.380 nan 0.000 0.522 112 L N 1.161 122.362 121.223 -0.036 0.000 2.352 112 L HA 0.521 4.774 4.340 -0.144 0.000 0.269 112 L C -1.739 175.112 176.870 -0.031 0.000 1.034 112 L CA -1.934 52.884 54.840 -0.036 0.000 0.806 112 L CB 0.698 42.719 42.059 -0.064 0.000 1.244 112 L HN 0.055 nan 8.230 nan 0.000 0.447 113 P HA 0.060 nan 4.420 nan 0.000 0.267 113 P C -0.809 176.479 177.300 -0.021 0.000 1.209 113 P CA -0.542 62.551 63.100 -0.012 0.000 0.763 113 P CB 0.419 32.119 31.700 0.000 0.000 0.816 114 R N 0.585 121.075 120.500 -0.017 0.000 2.583 114 R HA 0.311 4.564 4.340 -0.144 0.000 0.274 114 R C 0.288 176.580 176.300 -0.012 0.000 0.998 114 R CA -0.188 55.901 56.100 -0.018 0.000 1.081 114 R CB -1.907 28.388 30.300 -0.008 0.000 0.940 114 R HN 0.477 nan 8.270 nan 0.000 0.413 115 L N 1.257 122.469 121.223 -0.019 0.000 2.360 115 L HA 0.784 5.038 4.340 -0.144 0.000 0.276 115 L C 1.036 177.915 176.870 0.014 0.000 1.121 115 L CA -0.216 54.618 54.840 -0.009 0.000 0.845 115 L CB -0.434 41.609 42.059 -0.028 0.000 1.143 115 L HN 1.315 nan 8.230 nan 0.000 0.452 116 V N 2.596 122.524 119.914 0.024 0.000 2.459 116 V HA 0.868 4.902 4.120 -0.144 0.000 0.295 116 V C 0.536 176.663 176.094 0.055 0.000 1.029 116 V CA -0.701 61.621 62.300 0.037 0.000 0.874 116 V CB 1.128 32.970 31.823 0.033 0.000 0.985 116 V HN 1.523 nan 8.190 nan 0.000 0.438 117 R N 5.016 125.556 120.500 0.068 0.000 2.216 117 R HA 0.682 4.935 4.340 -0.144 0.000 0.332 117 R C -1.908 174.445 176.300 0.088 0.000 1.056 117 R CA -1.086 55.071 56.100 0.094 0.000 0.901 117 R CB -0.678 29.688 30.300 0.110 0.000 1.039 117 R HN 0.910 nan 8.270 nan 0.000 0.456 118 P HA 0.315 nan 4.420 nan 0.000 0.274 118 P C 0.263 177.615 177.300 0.087 0.000 1.264 118 P CA -0.029 63.123 63.100 0.086 0.000 0.795 118 P CB 0.407 32.163 31.700 0.094 0.000 1.064 119 E N -0.064 120.178 120.200 0.070 0.000 2.413 119 E HA 0.052 4.316 4.350 -0.144 0.000 0.263 119 E C 1.359 178.004 176.600 0.075 0.000 1.015 119 E CA -0.082 56.355 56.400 0.062 0.000 0.916 119 E CB -0.470 29.258 29.700 0.047 0.000 0.947 119 E HN 0.287 nan 8.360 nan 0.000 0.440 120 V N 2.536 122.492 119.914 0.069 0.000 2.363 120 V HA -0.347 3.687 4.120 -0.144 0.000 0.254 120 V C 2.738 178.873 176.094 0.068 0.000 1.074 120 V CA 3.158 65.505 62.300 0.078 0.000 1.069 120 V CB -1.467 30.384 31.823 0.046 0.000 0.659 120 V HN 0.980 nan 8.190 nan 0.000 0.455 121 D N -0.427 120.004 120.400 0.051 0.000 2.092 121 D HA -0.193 4.361 4.640 -0.144 0.000 0.193 121 D C 2.123 178.445 176.300 0.036 0.000 0.994 121 D CA 2.091 56.116 54.000 0.041 0.000 0.828 121 D CB -0.589 40.233 40.800 0.037 0.000 0.963 121 D HN 0.311 nan 8.370 nan 0.000 0.450 122 V N 0.411 120.353 119.914 0.046 0.000 2.261 122 V HA -0.288 3.746 4.120 -0.144 0.000 0.246 122 V C 2.889 179.001 176.094 0.031 0.000 1.047 122 V CA 2.174 64.501 62.300 0.045 0.000 1.015 122 V CB -0.658 31.203 31.823 0.064 0.000 0.642 122 V HN 0.513 nan 8.190 nan 0.000 0.446 123 M N -0.724 118.916 119.600 0.066 0.000 2.082 123 M HA -0.265 4.129 4.480 -0.144 0.000 0.258 123 M C 2.408 178.543 176.300 -0.276 0.000 1.069 123 M CA 2.178 57.499 55.300 0.035 0.000 1.102 123 M CB -0.868 31.870 32.600 0.231 0.000 1.336 123 M HN 0.430 nan 8.290 nan 0.000 0.404 124 c N -0.146 118.371 118.600 -0.137 0.000 2.425 124 c HA -0.126 4.358 4.570 -0.144 0.000 0.277 124 c C 2.891 176.846 174.090 -0.224 0.000 1.280 124 c CA 1.398 57.602 56.329 -0.208 0.000 1.744 124 c CB -1.125 41.344 42.510 -0.068 0.000 1.989 124 c HN 0.580 nan 8.230 nan 0.000 0.491 125 T N 1.136 115.636 114.554 -0.091 0.000 2.674 125 T HA -0.113 4.150 4.350 -0.144 0.000 0.265 125 T C 2.136 176.778 174.700 -0.096 0.000 1.039 125 T CA 1.715 63.797 62.100 -0.031 0.000 1.150 125 T CB -0.457 68.412 68.868 0.003 0.000 0.864 125 T HN 0.623 nan 8.240 nan 0.000 0.427 126 A N 0.876 123.617 122.820 -0.132 0.000 1.972 126 A HA -0.015 4.219 4.320 -0.144 0.000 0.219 126 A C 1.985 179.376 177.584 -0.322 0.000 1.169 126 A CA 1.278 53.247 52.037 -0.115 0.000 0.635 126 A CB -0.816 18.210 19.000 0.045 0.000 0.810 126 A HN 0.495 nan 8.150 nan 0.000 0.446 127 F N 0.293 119.680 119.950 -0.938 0.000 2.074 127 F HA -0.105 4.336 4.527 -0.142 0.000 0.293 127 F C 2.363 177.888 175.800 -0.458 0.000 1.116 127 F CA 1.941 59.221 58.000 -1.201 0.000 1.212 127 F CB -0.690 37.327 39.000 -1.637 0.000 0.998 127 F HN 0.326 nan 8.300 nan 0.000 0.471 128 H N 0.090 118.777 119.070 -0.638 0.000 2.319 128 H HA -0.169 4.301 4.556 -0.143 0.000 0.297 128 H C 1.937 177.038 175.328 -0.378 0.000 1.097 128 H CA 1.872 57.590 56.048 -0.551 0.000 1.285 128 H CB -0.942 28.671 29.762 -0.250 0.000 1.368 128 H HN 0.391 nan 8.280 nan 0.000 0.495 129 D N 0.224 120.555 120.400 -0.115 0.000 2.095 129 D HA -0.143 4.410 4.640 -0.144 0.000 0.192 129 D C 0.644 176.887 176.300 -0.096 0.000 0.990 129 D CA 1.101 55.051 54.000 -0.084 0.000 0.836 129 D CB 0.009 40.783 40.800 -0.044 0.000 0.979 129 D HN 0.088 nan 8.370 nan 0.000 0.447 130 N N -0.178 118.472 118.700 -0.084 0.000 2.569 130 N HA 0.060 4.714 4.740 -0.144 0.000 0.254 130 N C -0.150 175.343 175.510 -0.028 0.000 1.004 130 N CA -0.123 52.907 53.050 -0.033 0.000 0.904 130 N CB 1.355 39.865 38.487 0.039 0.000 1.165 130 N HN 0.228 nan 8.380 nan 0.000 0.513 131 E N 2.595 122.737 120.200 -0.098 0.000 2.046 131 E HA -0.171 4.093 4.350 -0.144 0.000 0.190 131 E C 1.475 178.166 176.600 0.152 0.000 0.982 131 E CA 1.640 58.006 56.400 -0.056 0.000 0.800 131 E CB 0.290 29.880 29.700 -0.183 0.000 0.756 131 E HN 0.700 nan 8.360 nan 0.000 0.449 132 E N 0.145 120.411 120.200 0.110 0.000 2.110 132 E HA -0.182 4.082 4.350 -0.144 0.000 0.193 132 E C 1.972 178.681 176.600 0.181 0.000 0.988 132 E CA 1.773 58.258 56.400 0.140 0.000 0.804 132 E CB -1.290 28.473 29.700 0.104 0.000 0.745 132 E HN 0.299 nan 8.360 nan 0.000 0.458 133 T N -0.469 114.196 114.554 0.186 0.000 2.770 133 T HA 0.016 4.280 4.350 -0.144 0.000 0.263 133 T C 1.691 176.512 174.700 0.202 0.000 1.039 133 T CA 0.998 63.232 62.100 0.223 0.000 1.142 133 T CB -0.434 68.561 68.868 0.212 0.000 0.868 133 T HN 0.454 nan 8.240 nan 0.000 0.435 134 F N 1.716 121.706 119.950 0.067 0.000 2.120 134 F HA -0.077 4.366 4.527 -0.141 0.000 0.300 134 F C 1.869 177.739 175.800 0.116 0.000 1.095 134 F CA 1.232 59.267 58.000 0.060 0.000 1.249 134 F CB -0.382 38.666 39.000 0.080 0.000 0.995 134 F HN 0.079 nan 8.300 nan 0.000 0.480 135 L N -0.894 120.478 121.223 0.249 0.000 2.179 135 L HA -0.166 4.088 4.340 -0.144 0.000 0.208 135 L C 2.493 179.445 176.870 0.137 0.000 1.096 135 L CA 0.931 55.891 54.840 0.200 0.000 0.779 135 L CB -0.766 41.444 42.059 0.251 0.000 0.922 135 L HN -0.159 nan 8.230 nan 0.000 0.443 136 K N 0.281 120.755 120.400 0.124 0.000 2.057 136 K HA -0.149 4.084 4.320 -0.144 0.000 0.206 136 K C 2.443 179.036 176.600 -0.012 0.000 1.050 136 K CA 1.507 57.878 56.287 0.139 0.000 0.935 136 K CB -0.383 32.292 32.500 0.292 0.000 0.715 136 K HN 0.556 nan 8.250 nan 0.000 0.439 137 K N -0.498 119.723 120.400 -0.297 0.000 2.148 137 K HA -0.112 4.121 4.320 -0.144 0.000 0.204 137 K C 2.010 178.474 176.600 -0.225 0.000 1.050 137 K CA 1.473 57.424 56.287 -0.560 0.000 0.942 137 K CB -1.276 30.790 32.500 -0.723 0.000 0.724 137 K HN 0.630 nan 8.250 nan 0.000 0.446 138 Y N 1.731 121.835 120.300 -0.328 0.000 2.070 138 Y HA 0.021 4.485 4.550 -0.143 0.000 0.279 138 Y C 2.120 177.844 175.900 -0.293 0.000 1.134 138 Y CA 1.830 59.698 58.100 -0.388 0.000 1.113 138 Y CB -0.456 37.680 38.460 -0.540 0.000 0.981 138 Y HN 0.047 nan 8.280 nan 0.000 0.487 139 L N -0.574 120.543 121.223 -0.177 0.000 2.089 139 L HA -0.299 3.954 4.340 -0.144 0.000 0.213 139 L C 2.443 179.164 176.870 -0.249 0.000 1.079 139 L CA 2.043 56.735 54.840 -0.248 0.000 0.758 139 L CB -0.975 41.063 42.059 -0.034 0.000 0.891 139 L HN 0.437 nan 8.230 nan 0.000 0.433 140 Y N 1.024 121.182 120.300 -0.237 0.000 2.114 140 Y HA -0.240 4.227 4.550 -0.138 0.000 0.284 140 Y C 2.627 178.399 175.900 -0.215 0.000 1.143 140 Y CA 1.614 59.619 58.100 -0.160 0.000 1.135 140 Y CB -0.128 38.294 38.460 -0.062 0.000 0.980 140 Y HN 0.089 nan 8.280 nan 0.000 0.499 141 E N 0.441 120.365 120.200 -0.459 0.000 2.058 141 E HA -0.192 4.072 4.350 -0.144 0.000 0.194 141 E C 2.298 178.606 176.600 -0.487 0.000 0.997 141 E CA 1.457 57.553 56.400 -0.507 0.000 0.801 141 E CB -0.375 29.121 29.700 -0.340 0.000 0.746 141 E HN 0.492 nan 8.360 nan 0.000 0.450 142 I N 0.993 121.238 120.570 -0.541 0.000 2.142 142 I HA -0.194 3.889 4.170 -0.144 0.000 0.240 142 I C 2.450 178.379 176.117 -0.315 0.000 1.078 142 I CA 1.173 62.206 61.300 -0.445 0.000 1.343 142 I CB -1.619 35.963 38.000 -0.697 0.000 1.046 142 I HN -0.043 nan 8.210 nan 0.000 0.405 143 A N 1.855 124.459 122.820 -0.360 0.000 1.940 143 A HA -0.232 4.002 4.320 -0.144 0.000 0.219 143 A C 2.411 179.859 177.584 -0.227 0.000 1.176 143 A CA 2.020 53.907 52.037 -0.250 0.000 0.631 143 A CB -0.698 18.156 19.000 -0.243 0.000 0.814 143 A HN 0.584 nan 8.150 nan 0.000 0.446 144 R N -0.949 119.352 120.500 -0.331 0.000 2.115 144 R HA 0.018 4.272 4.340 -0.144 0.000 0.226 144 R C 1.969 178.124 176.300 -0.243 0.000 1.100 144 R CA 1.253 57.180 56.100 -0.288 0.000 0.980 144 R CB -0.329 29.722 30.300 -0.414 0.000 0.875 144 R HN 0.419 nan 8.270 nan 0.000 0.445 145 R N -0.163 120.147 120.500 -0.315 0.000 2.200 145 R HA 0.083 4.337 4.340 -0.144 0.000 0.208 145 R C 0.138 176.134 176.300 -0.507 0.000 1.033 145 R CA 0.540 56.394 56.100 -0.409 0.000 1.000 145 R CB 0.256 30.244 30.300 -0.520 0.000 0.906 145 R HN 0.337 nan 8.270 nan 0.000 0.462 146 H N 0.538 119.588 119.070 -0.033 0.000 2.348 146 H HA 0.167 4.647 4.556 -0.127 0.000 0.232 146 H C -1.930 173.429 175.328 0.052 0.000 1.419 146 H CA -2.225 53.865 56.048 0.070 0.000 1.416 146 H CB 1.111 31.000 29.762 0.212 0.000 1.510 146 H HN 0.039 nan 8.280 nan 0.000 0.507 147 P HA -0.160 nan 4.420 nan 0.000 0.231 147 P C 0.158 177.274 177.300 -0.306 0.000 1.154 147 P CA 1.219 64.222 63.100 -0.161 0.000 0.762 147 P CB 0.049 31.608 31.700 -0.234 0.000 0.790 148 Y N -3.207 117.155 120.300 0.103 0.000 2.626 148 Y HA 0.299 4.768 4.550 -0.135 0.000 0.248 148 Y C 0.877 176.857 175.900 0.133 0.000 1.147 148 Y CA -1.034 57.117 58.100 0.085 0.000 1.219 148 Y CB -0.241 38.244 38.460 0.042 0.000 1.279 148 Y HN -0.241 nan 8.280 nan 0.000 0.541 149 F N 1.341 121.373 119.950 0.137 0.000 2.623 149 F HA -0.070 4.424 4.527 -0.055 0.000 0.383 149 F C 0.440 176.333 175.800 0.155 0.000 1.077 149 F CA -0.705 57.352 58.000 0.095 0.000 1.268 149 F CB 0.134 39.141 39.000 0.011 0.000 1.053 149 F HN 0.113 nan 8.300 nan 0.000 0.571 150 Y N 7.292 127.767 120.300 0.290 0.000 2.783 150 Y HA 0.225 4.691 4.550 -0.140 0.000 0.359 150 Y C 1.088 177.199 175.900 0.352 0.000 1.220 150 Y CA -0.452 57.809 58.100 0.270 0.000 1.649 150 Y CB -0.087 38.500 38.460 0.211 0.000 1.273 150 Y HN 0.751 nan 8.280 nan 0.000 0.506 151 A N 7.356 130.234 122.820 0.097 0.000 1.894 151 A HA -0.251 3.983 4.320 -0.144 0.000 0.220 151 A C -0.230 177.268 177.584 -0.144 0.000 1.237 151 A CA 2.203 54.209 52.037 -0.052 0.000 0.660 151 A CB -1.857 17.078 19.000 -0.107 0.000 0.835 151 A HN 0.680 nan 8.150 nan 0.000 0.461 152 P HA -0.135 nan 4.420 nan 0.000 0.217 152 P C 1.270 178.507 177.300 -0.105 0.000 1.148 152 P CA 1.696 64.597 63.100 -0.331 0.000 0.828 152 P CB 0.027 31.375 31.700 -0.586 0.000 0.783 153 E N -1.290 118.908 120.200 -0.004 0.000 2.371 153 E HA -0.046 4.218 4.350 -0.144 0.000 0.194 153 E C 1.604 178.569 176.600 0.608 0.000 1.012 153 E CA 0.178 56.843 56.400 0.441 0.000 0.860 153 E CB -0.916 29.237 29.700 0.755 0.000 0.811 153 E HN -0.009 nan 8.360 nan 0.000 0.502 154 L N 0.101 121.526 121.223 0.336 0.000 2.201 154 L HA 0.003 4.257 4.340 -0.144 0.000 0.212 154 L C 1.611 178.578 176.870 0.162 0.000 1.105 154 L CA 1.384 56.274 54.840 0.083 0.000 0.775 154 L CB -0.211 41.697 42.059 -0.252 0.000 0.913 154 L HN 0.231 nan 8.230 nan 0.000 0.440 155 L N -2.199 119.112 121.223 0.147 0.000 2.156 155 L HA -0.169 4.085 4.340 -0.144 0.000 0.208 155 L C 2.306 179.282 176.870 0.176 0.000 1.095 155 L CA 0.791 55.707 54.840 0.127 0.000 0.770 155 L CB -0.593 41.514 42.059 0.080 0.000 0.914 155 L HN 0.258 nan 8.230 nan 0.000 0.439 156 F N 0.205 120.187 119.950 0.054 0.000 2.259 156 F HA -0.140 4.296 4.527 -0.151 0.000 0.298 156 F C 2.007 177.720 175.800 -0.145 0.000 1.088 156 F CA 1.144 59.097 58.000 -0.078 0.000 1.358 156 F CB -0.272 38.622 39.000 -0.176 0.000 1.040 156 F HN -0.109 nan 8.300 nan 0.000 0.505 157 F N 0.138 120.046 119.950 -0.069 0.000 2.206 157 F HA 0.004 4.451 4.527 -0.133 0.000 0.298 157 F C 2.559 178.297 175.800 -0.104 0.000 1.090 157 F CA 1.138 59.060 58.000 -0.129 0.000 1.323 157 F CB -1.183 37.852 39.000 0.058 0.000 1.028 157 F HN 0.037 nan 8.300 nan 0.000 0.492 158 A N 0.229 123.143 122.820 0.156 0.000 1.865 158 A HA -0.256 3.977 4.320 -0.144 0.000 0.217 158 A C 2.260 179.858 177.584 0.024 0.000 1.191 158 A CA 2.334 54.418 52.037 0.079 0.000 0.623 158 A CB -1.091 17.997 19.000 0.145 0.000 0.826 158 A HN 0.211 nan 8.150 nan 0.000 0.444 159 K N -0.167 120.223 120.400 -0.017 0.000 2.063 159 K HA -0.147 4.087 4.320 -0.144 0.000 0.208 159 K C 2.255 178.778 176.600 -0.129 0.000 1.048 159 K CA 1.835 58.097 56.287 -0.042 0.000 0.928 159 K CB -0.654 31.828 32.500 -0.030 0.000 0.713 159 K HN 0.625 nan 8.250 nan 0.000 0.442 160 R N -1.814 118.509 120.500 -0.295 0.000 2.148 160 R HA -0.063 4.191 4.340 -0.144 0.000 0.227 160 R C 2.275 178.472 176.300 -0.172 0.000 1.103 160 R CA 1.637 57.531 56.100 -0.343 0.000 0.983 160 R CB -0.381 29.523 30.300 -0.660 0.000 0.874 160 R HN 0.614 nan 8.270 nan 0.000 0.451 161 Y N 0.953 121.094 120.300 -0.265 0.000 2.243 161 Y HA -0.101 4.365 4.550 -0.140 0.000 0.293 161 Y C 2.143 177.964 175.900 -0.131 0.000 1.124 161 Y CA 1.536 59.469 58.100 -0.277 0.000 1.159 161 Y CB -0.007 38.096 38.460 -0.595 0.000 1.008 161 Y HN -0.119 nan 8.280 nan 0.000 0.527 162 K N 0.063 120.448 120.400 -0.026 0.000 2.057 162 K HA -0.161 4.073 4.320 -0.144 0.000 0.207 162 K C 2.199 178.744 176.600 -0.091 0.000 1.049 162 K CA 1.226 57.510 56.287 -0.004 0.000 0.931 162 K CB -0.370 32.201 32.500 0.118 0.000 0.714 162 K HN 0.350 nan 8.250 nan 0.000 0.440 163 A N 0.907 123.666 122.820 -0.101 0.000 1.972 163 A HA -0.102 4.132 4.320 -0.144 0.000 0.219 163 A C 2.254 179.719 177.584 -0.198 0.000 1.169 163 A CA 1.743 53.715 52.037 -0.109 0.000 0.635 163 A CB -0.680 18.259 19.000 -0.103 0.000 0.810 163 A HN 0.486 nan 8.150 nan 0.000 0.446 164 A N -0.817 121.806 122.820 -0.327 0.000 1.877 164 A HA -0.010 4.224 4.320 -0.144 0.000 0.216 164 A C 1.935 179.157 177.584 -0.603 0.000 1.186 164 A CA 1.631 53.373 52.037 -0.491 0.000 0.620 164 A CB -0.726 17.858 19.000 -0.694 0.000 0.822 164 A HN 0.470 nan 8.150 nan 0.000 0.443 165 F N 0.178 119.778 119.950 -0.584 0.000 2.163 165 F HA -0.062 4.378 4.527 -0.146 0.000 0.297 165 F C 2.739 178.257 175.800 -0.470 0.000 1.094 165 F CA 1.663 59.209 58.000 -0.757 0.000 1.290 165 F CB -1.051 36.986 39.000 -1.606 0.000 1.017 165 F HN 0.087 nan 8.300 nan 0.000 0.483 166 T N -0.661 113.817 114.554 -0.127 0.000 2.822 166 T HA -0.237 4.027 4.350 -0.144 0.000 0.270 166 T C 1.856 176.607 174.700 0.084 0.000 1.064 166 T CA 1.727 63.925 62.100 0.164 0.000 1.131 166 T CB -0.210 68.761 68.868 0.172 0.000 0.858 166 T HN 0.400 nan 8.240 nan 0.000 0.483 167 E N -0.787 119.395 120.200 -0.029 0.000 2.132 167 E HA -0.032 4.232 4.350 -0.144 0.000 0.193 167 E C 2.174 178.748 176.600 -0.043 0.000 0.951 167 E CA 0.422 56.803 56.400 -0.031 0.000 0.843 167 E CB -0.014 29.646 29.700 -0.066 0.000 0.807 167 E HN 0.421 nan 8.360 nan 0.000 0.467 168 c N 0.692 119.226 118.600 -0.110 0.000 2.476 168 c HA -0.049 4.435 4.570 -0.144 0.000 0.278 168 c C 2.730 176.796 174.090 -0.041 0.000 1.274 168 c CA 0.323 56.589 56.329 -0.105 0.000 1.713 168 c CB -0.866 41.523 42.510 -0.202 0.000 2.039 168 c HN 0.619 nan 8.230 nan 0.000 0.484 169 c N 0.487 119.078 118.600 -0.015 0.000 2.421 169 c HA -0.021 4.463 4.570 -0.144 0.000 0.296 169 c C 2.335 176.502 174.090 0.129 0.000 1.470 169 c CA 1.635 57.998 56.329 0.056 0.000 1.779 169 c CB -2.216 40.310 42.510 0.026 0.000 1.715 169 c HN 0.815 nan 8.230 nan 0.000 0.564 170 Q N -0.897 118.964 119.800 0.102 0.000 2.211 170 Q HA 0.736 4.990 4.340 -0.144 0.000 0.301 170 Q C -0.046 175.979 176.000 0.043 0.000 0.884 170 Q CA 0.638 56.496 55.803 0.092 0.000 1.115 170 Q CB 0.192 28.991 28.738 0.101 0.000 1.217 170 Q HN 0.692 nan 8.270 nan 0.000 0.451 171 A N -0.866 121.971 122.820 0.027 0.000 2.532 171 A HA 0.960 5.193 4.320 -0.144 0.000 0.290 171 A C 1.239 178.828 177.584 0.008 0.000 1.143 171 A CA 0.043 52.086 52.037 0.009 0.000 0.728 171 A CB 0.505 19.501 19.000 -0.007 0.000 1.317 171 A HN 1.090 nan 8.150 nan 0.000 0.414 172 A N -0.039 122.783 122.820 0.003 0.000 1.862 172 A HA -0.095 4.139 4.320 -0.144 0.000 0.214 172 A C 0.862 178.447 177.584 0.001 0.000 1.228 172 A CA 2.126 54.164 52.037 0.002 0.000 0.665 172 A CB -0.596 18.403 19.000 -0.001 0.000 0.845 172 A HN 0.738 nan 8.150 nan 0.000 0.459 173 D N -0.152 120.246 120.400 -0.004 0.000 2.500 173 D HA 0.451 5.005 4.640 -0.144 0.000 0.219 173 D C 1.390 177.682 176.300 -0.014 0.000 1.137 173 D CA 0.671 54.668 54.000 -0.006 0.000 0.946 173 D CB 0.894 41.690 40.800 -0.007 0.000 1.022 173 D HN 0.376 nan 8.370 nan 0.000 0.518 174 K N 2.417 122.810 120.400 -0.011 0.000 2.015 174 K HA -0.233 4.001 4.320 -0.144 0.000 0.216 174 K C 2.016 178.592 176.600 -0.040 0.000 1.052 174 K CA 1.969 58.241 56.287 -0.025 0.000 0.937 174 K CB -1.107 31.389 32.500 -0.007 0.000 0.719 174 K HN 0.486 nan 8.250 nan 0.000 0.446 175 A N 1.010 123.818 122.820 -0.022 0.000 1.896 175 A HA 0.041 4.274 4.320 -0.144 0.000 0.220 175 A C 2.810 180.375 177.584 -0.033 0.000 1.206 175 A CA 3.163 55.187 52.037 -0.022 0.000 0.647 175 A CB -1.194 17.804 19.000 -0.004 0.000 0.828 175 A HN 1.316 nan 8.150 nan 0.000 0.455 176 A N -1.811 120.993 122.820 -0.027 0.000 2.024 176 A HA -0.167 4.067 4.320 -0.144 0.000 0.220 176 A C 2.363 179.921 177.584 -0.044 0.000 1.164 176 A CA 1.850 53.870 52.037 -0.028 0.000 0.643 176 A CB -1.154 17.834 19.000 -0.020 0.000 0.806 176 A HN 0.874 nan 8.150 nan 0.000 0.451 177 c N -2.023 116.541 118.600 -0.059 0.000 2.538 177 c HA 0.317 4.801 4.570 -0.144 0.000 0.281 177 c C 2.921 176.933 174.090 -0.130 0.000 1.320 177 c CA 1.131 57.409 56.329 -0.084 0.000 1.714 177 c CB -1.009 41.452 42.510 -0.081 0.000 2.095 177 c HN 0.652 nan 8.230 nan 0.000 0.497 178 L N 1.106 122.235 121.223 -0.156 0.000 1.993 178 L HA 0.157 4.411 4.340 -0.144 0.000 0.206 178 L C 2.553 179.317 176.870 -0.176 0.000 1.074 178 L CA 2.384 57.077 54.840 -0.245 0.000 0.746 178 L CB -1.815 40.082 42.059 -0.270 0.000 0.896 178 L HN 0.538 nan 8.230 nan 0.000 0.435 179 L N -0.291 120.873 121.223 -0.097 0.000 2.011 179 L HA -0.264 3.990 4.340 -0.144 0.000 0.225 179 L C 0.774 177.620 176.870 -0.041 0.000 1.084 179 L CA 2.293 57.104 54.840 -0.048 0.000 0.791 179 L CB -2.021 40.027 42.059 -0.019 0.000 0.898 179 L HN 0.322 nan 8.230 nan 0.000 0.440 180 P HA -0.210 nan 4.420 nan 0.000 0.214 180 P C 1.358 178.638 177.300 -0.033 0.000 1.169 180 P CA 1.560 64.643 63.100 -0.028 0.000 0.908 180 P CB -0.060 31.621 31.700 -0.032 0.000 0.791 181 K N -0.766 119.592 120.400 -0.070 0.000 2.160 181 K HA -0.130 4.104 4.320 -0.144 0.000 0.206 181 K C 2.101 178.667 176.600 -0.057 0.000 1.047 181 K CA 1.146 57.385 56.287 -0.081 0.000 0.930 181 K CB -0.708 31.701 32.500 -0.151 0.000 0.720 181 K HN 0.204 nan 8.250 nan 0.000 0.450 182 L N 0.856 122.041 121.223 -0.064 0.000 2.072 182 L HA -0.172 4.082 4.340 -0.144 0.000 0.205 182 L C 1.928 178.838 176.870 0.066 0.000 1.079 182 L CA 0.970 55.817 54.840 0.012 0.000 0.752 182 L CB -0.394 41.672 42.059 0.011 0.000 0.906 182 L HN 0.169 nan 8.230 nan 0.000 0.436 183 D N 0.080 120.504 120.400 0.041 0.000 2.104 183 D HA -0.251 4.303 4.640 -0.144 0.000 0.194 183 D C 1.937 178.278 176.300 0.068 0.000 0.994 183 D CA 1.347 55.379 54.000 0.054 0.000 0.830 183 D CB -0.047 40.775 40.800 0.037 0.000 0.959 183 D HN 0.353 nan 8.370 nan 0.000 0.452 184 E N 0.411 120.646 120.200 0.058 0.000 2.070 184 E HA -0.185 4.079 4.350 -0.144 0.000 0.197 184 E C 2.389 179.063 176.600 0.122 0.000 1.004 184 E CA 0.781 57.225 56.400 0.074 0.000 0.805 184 E CB -0.105 29.625 29.700 0.049 0.000 0.744 184 E HN 0.214 nan 8.360 nan 0.000 0.451 185 L N -0.161 121.146 121.223 0.140 0.000 2.027 185 L HA -0.203 4.051 4.340 -0.144 0.000 0.206 185 L C 2.940 179.924 176.870 0.189 0.000 1.074 185 L CA 1.378 56.358 54.840 0.232 0.000 0.745 185 L CB -0.575 41.639 42.059 0.258 0.000 0.898 185 L HN 0.080 nan 8.230 nan 0.000 0.433 186 R N 0.172 120.756 120.500 0.141 0.000 2.113 186 R HA -0.209 4.045 4.340 -0.144 0.000 0.244 186 R C 1.804 178.149 176.300 0.074 0.000 1.142 186 R CA 2.209 58.369 56.100 0.100 0.000 0.953 186 R CB -1.061 29.295 30.300 0.092 0.000 0.860 186 R HN 0.511 nan 8.270 nan 0.000 0.438 187 D N -0.187 120.263 120.400 0.083 0.000 2.075 187 D HA -0.125 4.428 4.640 -0.144 0.000 0.196 187 D C 2.036 178.374 176.300 0.064 0.000 0.985 187 D CA 1.758 55.800 54.000 0.069 0.000 0.834 187 D CB -0.803 40.041 40.800 0.073 0.000 0.987 187 D HN 0.607 nan 8.370 nan 0.000 0.452 188 E N 0.353 120.625 120.200 0.121 0.000 2.171 188 E HA -0.171 4.093 4.350 -0.144 0.000 0.197 188 E C 2.032 178.679 176.600 0.079 0.000 0.997 188 E CA 1.262 57.767 56.400 0.176 0.000 0.810 188 E CB -0.233 29.679 29.700 0.353 0.000 0.738 188 E HN 0.279 nan 8.360 nan 0.000 0.467 189 G N 0.280 109.047 108.800 -0.055 0.000 2.408 189 G HA2 -0.265 3.608 3.960 -0.144 0.000 0.217 189 G HA3 -0.265 3.608 3.960 -0.144 0.000 0.217 189 G C 1.779 176.532 174.900 -0.245 0.000 1.150 189 G CA 0.768 45.701 45.100 -0.278 0.000 0.776 189 G HN 0.097 nan 8.290 nan 0.000 0.542 190 K N 0.759 121.068 120.400 -0.151 0.000 2.025 190 K HA 0.174 4.408 4.320 -0.144 0.000 0.207 190 K C 3.119 179.614 176.600 -0.176 0.000 1.049 190 K CA 1.180 57.365 56.287 -0.171 0.000 0.933 190 K CB -1.056 31.427 32.500 -0.029 0.000 0.714 190 K HN 0.464 nan 8.250 nan 0.000 0.438 191 A N 0.880 123.642 122.820 -0.097 0.000 1.873 191 A HA -0.247 3.987 4.320 -0.144 0.000 0.218 191 A C 2.378 179.870 177.584 -0.154 0.000 1.193 191 A CA 2.516 54.502 52.037 -0.086 0.000 0.629 191 A CB -1.250 17.721 19.000 -0.049 0.000 0.826 191 A HN 0.448 nan 8.150 nan 0.000 0.447 192 S N -0.780 114.807 115.700 -0.187 0.000 2.359 192 S HA -0.189 4.194 4.470 -0.144 0.000 0.224 192 S C 2.353 176.622 174.600 -0.551 0.000 1.035 192 S CA 2.148 60.178 58.200 -0.283 0.000 1.018 192 S CB -0.566 62.491 63.200 -0.239 0.000 0.876 192 S HN 0.689 nan 8.310 nan 0.000 0.448 193 S N 0.654 115.879 115.700 -0.791 0.000 2.370 193 S HA -0.052 4.331 4.470 -0.144 0.000 0.226 193 S C 2.081 176.471 174.600 -0.349 0.000 1.033 193 S CA 1.568 59.320 58.200 -0.746 0.000 1.011 193 S CB -0.872 61.849 63.200 -0.798 0.000 0.852 193 S HN 0.721 nan 8.310 nan 0.000 0.457 194 A N 1.347 124.016 122.820 -0.251 0.000 1.858 194 A HA -0.090 4.144 4.320 -0.144 0.000 0.216 194 A C 2.151 179.641 177.584 -0.157 0.000 1.190 194 A CA 1.715 53.665 52.037 -0.144 0.000 0.617 194 A CB -0.704 18.253 19.000 -0.073 0.000 0.827 194 A HN 0.619 nan 8.150 nan 0.000 0.443 195 K N -1.102 119.196 120.400 -0.170 0.000 2.020 195 K HA -0.261 3.973 4.320 -0.144 0.000 0.212 195 K C 2.416 178.870 176.600 -0.242 0.000 1.050 195 K CA 1.899 58.074 56.287 -0.186 0.000 0.929 195 K CB -0.193 32.209 32.500 -0.163 0.000 0.714 195 K HN 0.470 nan 8.250 nan 0.000 0.443 196 Q N 1.070 120.722 119.800 -0.246 0.000 2.135 196 Q HA -0.188 4.065 4.340 -0.144 0.000 0.204 196 Q C 1.926 177.807 176.000 -0.199 0.000 0.981 196 Q CA 1.598 57.262 55.803 -0.231 0.000 0.856 196 Q CB -0.128 28.509 28.738 -0.169 0.000 0.902 196 Q HN 0.064 nan 8.270 nan 0.000 0.425 197 R N -0.425 119.965 120.500 -0.183 0.000 2.096 197 R HA -0.101 4.153 4.340 -0.144 0.000 0.235 197 R C 1.910 178.075 176.300 -0.226 0.000 1.127 197 R CA 1.197 57.172 56.100 -0.210 0.000 0.968 197 R CB -0.770 29.430 30.300 -0.167 0.000 0.861 197 R HN 0.419 nan 8.270 nan 0.000 0.440 198 L N 0.702 121.799 121.223 -0.210 0.000 2.093 198 L HA -0.074 4.180 4.340 -0.144 0.000 0.208 198 L C 1.569 178.298 176.870 -0.236 0.000 1.085 198 L CA 1.868 56.583 54.840 -0.208 0.000 0.755 198 L CB -0.337 41.586 42.059 -0.226 0.000 0.904 198 L HN 0.102 nan 8.230 nan 0.000 0.435 199 K N -1.293 118.928 120.400 -0.299 0.000 2.057 199 K HA -0.146 4.088 4.320 -0.144 0.000 0.207 199 K C 2.106 178.608 176.600 -0.164 0.000 1.049 199 K CA 1.606 57.737 56.287 -0.260 0.000 0.931 199 K CB -0.487 31.777 32.500 -0.394 0.000 0.714 199 K HN 0.433 nan 8.250 nan 0.000 0.440 200 c N 0.563 119.056 118.600 -0.178 0.000 2.466 200 c HA -0.014 4.470 4.570 -0.144 0.000 0.278 200 c C 2.927 176.946 174.090 -0.117 0.000 1.288 200 c CA 0.668 56.917 56.329 -0.134 0.000 1.722 200 c CB -0.820 41.600 42.510 -0.151 0.000 2.017 200 c HN 0.532 nan 8.230 nan 0.000 0.488 201 A N 0.841 123.572 122.820 -0.148 0.000 1.883 201 A HA -0.173 4.061 4.320 -0.144 0.000 0.217 201 A C 2.256 179.880 177.584 0.066 0.000 1.186 201 A CA 2.403 54.395 52.037 -0.075 0.000 0.624 201 A CB -0.887 18.076 19.000 -0.063 0.000 0.822 201 A HN 0.557 nan 8.150 nan 0.000 0.444 202 S N -0.098 115.658 115.700 0.093 0.000 2.359 202 S HA -0.152 4.231 4.470 -0.144 0.000 0.224 202 S C 1.875 176.605 174.600 0.217 0.000 1.035 202 S CA 1.605 59.939 58.200 0.222 0.000 1.018 202 S CB -0.522 62.732 63.200 0.090 0.000 0.876 202 S HN 0.487 nan 8.310 nan 0.000 0.448 203 L N 1.069 122.353 121.223 0.101 0.000 1.994 203 L HA -0.190 4.064 4.340 -0.144 0.000 0.208 203 L C 2.854 179.758 176.870 0.056 0.000 1.071 203 L CA 1.452 56.327 54.840 0.058 0.000 0.745 203 L CB -0.488 41.530 42.059 -0.068 0.000 0.892 203 L HN 0.349 nan 8.230 nan 0.000 0.431 204 Q N -0.940 118.876 119.800 0.027 0.000 2.079 204 Q HA -0.210 4.044 4.340 -0.144 0.000 0.200 204 Q C 2.440 178.415 176.000 -0.042 0.000 0.974 204 Q CA 1.742 57.551 55.803 0.011 0.000 0.840 204 Q CB -0.036 28.707 28.738 0.009 0.000 0.898 204 Q HN 0.171 nan 8.270 nan 0.000 0.430 205 K N -0.385 119.958 120.400 -0.095 0.000 2.166 205 K HA 0.009 4.243 4.320 -0.144 0.000 0.201 205 K C 1.319 177.622 176.600 -0.496 0.000 1.052 205 K CA 0.681 56.773 56.287 -0.325 0.000 0.969 205 K CB -0.017 32.198 32.500 -0.475 0.000 0.761 205 K HN 0.280 nan 8.250 nan 0.000 0.459 206 F N -0.258 119.702 119.950 0.016 0.000 2.720 206 F HA 0.471 4.905 4.527 -0.154 0.000 0.301 206 F C 1.167 176.993 175.800 0.043 0.000 1.103 206 F CA 0.406 58.422 58.000 0.028 0.000 1.291 206 F CB 1.042 40.060 39.000 0.030 0.000 1.086 206 F HN 0.428 nan 8.300 nan 0.000 0.592 207 G N 1.242 110.150 108.800 0.179 0.000 2.629 207 G HA2 -0.183 3.691 3.960 -0.144 0.000 0.686 207 G HA3 -0.183 3.691 3.960 -0.144 0.000 0.686 207 G C 0.488 175.487 174.900 0.165 0.000 1.232 207 G CA -0.224 44.959 45.100 0.139 0.000 0.803 207 G HN 0.386 nan 8.290 nan 0.000 0.638 208 E N -0.015 120.264 120.200 0.133 0.000 2.153 208 E HA -0.141 4.123 4.350 -0.144 0.000 0.194 208 E C 2.349 179.072 176.600 0.205 0.000 0.988 208 E CA 1.601 58.099 56.400 0.164 0.000 0.811 208 E CB -0.085 29.682 29.700 0.112 0.000 0.746 208 E HN 0.748 nan 8.360 nan 0.000 0.466 209 R N 0.709 121.306 120.500 0.161 0.000 2.103 209 R HA -0.113 4.140 4.340 -0.144 0.000 0.242 209 R C 2.355 178.753 176.300 0.164 0.000 1.142 209 R CA 1.625 57.816 56.100 0.151 0.000 0.960 209 R CB -1.387 28.987 30.300 0.124 0.000 0.858 209 R HN 0.531 nan 8.270 nan 0.000 0.439 210 A N -0.751 122.175 122.820 0.175 0.000 1.930 210 A HA -0.008 4.226 4.320 -0.144 0.000 0.217 210 A C 2.131 179.828 177.584 0.189 0.000 1.175 210 A CA 1.544 53.669 52.037 0.148 0.000 0.627 210 A CB -0.755 18.328 19.000 0.139 0.000 0.815 210 A HN 0.672 nan 8.150 nan 0.000 0.443 211 F N 0.550 120.566 119.950 0.110 0.000 2.146 211 F HA -0.082 4.348 4.527 -0.163 0.000 0.298 211 F C 2.132 178.061 175.800 0.216 0.000 1.096 211 F CA 1.949 60.031 58.000 0.136 0.000 1.275 211 F CB -0.121 38.927 39.000 0.079 0.000 1.008 211 F HN 0.099 nan 8.300 nan 0.000 0.480 212 K N 0.310 120.894 120.400 0.306 0.000 2.009 212 K HA -0.203 4.031 4.320 -0.144 0.000 0.210 212 K C 2.335 178.972 176.600 0.061 0.000 1.049 212 K CA 1.456 57.858 56.287 0.191 0.000 0.929 212 K CB -0.681 31.933 32.500 0.190 0.000 0.714 212 K HN 0.349 nan 8.250 nan 0.000 0.440 213 A N 0.838 123.703 122.820 0.075 0.000 1.892 213 A HA -0.236 3.998 4.320 -0.144 0.000 0.218 213 A C 1.955 179.507 177.584 -0.053 0.000 1.188 213 A CA 1.764 53.819 52.037 0.030 0.000 0.631 213 A CB -1.136 17.892 19.000 0.047 0.000 0.822 213 A HN 0.642 nan 8.150 nan 0.000 0.447 214 W N 0.595 121.766 121.300 -0.215 0.000 2.318 214 W HA -0.210 4.390 4.660 -0.100 0.000 0.313 214 W C 2.487 178.808 176.519 -0.329 0.000 1.221 214 W CA 2.633 59.797 57.345 -0.301 0.000 1.266 214 W CB -0.361 28.838 29.460 -0.435 0.000 1.150 214 W HN 0.382 nan 8.180 nan 0.000 0.496 215 A N -0.201 122.408 122.820 -0.351 0.000 1.877 215 A HA -0.195 4.039 4.320 -0.144 0.000 0.216 215 A C 2.061 179.443 177.584 -0.337 0.000 1.186 215 A CA 2.567 54.364 52.037 -0.400 0.000 0.620 215 A CB -1.333 17.595 19.000 -0.120 0.000 0.822 215 A HN 0.204 nan 8.150 nan 0.000 0.443 216 V N -0.015 119.791 119.914 -0.180 0.000 2.231 216 V HA -0.325 3.709 4.120 -0.144 0.000 0.248 216 V C 3.094 179.089 176.094 -0.164 0.000 1.054 216 V CA 2.292 64.540 62.300 -0.086 0.000 1.015 216 V CB -1.413 30.426 31.823 0.027 0.000 0.638 216 V HN 0.644 nan 8.190 nan 0.000 0.444 217 A N -0.096 122.571 122.820 -0.256 0.000 1.908 217 A HA -0.295 3.939 4.320 -0.144 0.000 0.218 217 A C 2.298 179.627 177.584 -0.424 0.000 1.181 217 A CA 2.439 54.292 52.037 -0.307 0.000 0.627 217 A CB -0.566 18.237 19.000 -0.328 0.000 0.818 217 A HN 0.469 nan 8.150 nan 0.000 0.445 218 R N -0.037 120.057 120.500 -0.677 0.000 2.066 218 R HA 0.050 4.304 4.340 -0.144 0.000 0.232 218 R C 1.941 177.930 176.300 -0.519 0.000 1.131 218 R CA 1.629 57.291 56.100 -0.730 0.000 0.955 218 R CB -0.763 28.763 30.300 -1.290 0.000 0.851 218 R HN 0.514 nan 8.270 nan 0.000 0.432 219 L N -0.160 120.803 121.223 -0.432 0.000 2.141 219 L HA -0.068 4.186 4.340 -0.144 0.000 0.209 219 L C 2.218 178.942 176.870 -0.242 0.000 1.094 219 L CA 1.242 55.871 54.840 -0.351 0.000 0.763 219 L CB -0.391 41.611 42.059 -0.096 0.000 0.908 219 L HN 0.192 nan 8.230 nan 0.000 0.437 220 S N -0.385 115.219 115.700 -0.160 0.000 2.368 220 S HA -0.215 4.168 4.470 -0.144 0.000 0.225 220 S C 1.948 176.420 174.600 -0.213 0.000 1.030 220 S CA 1.235 59.363 58.200 -0.119 0.000 0.999 220 S CB -0.150 62.976 63.200 -0.123 0.000 0.844 220 S HN 0.465 nan 8.310 nan 0.000 0.459 221 Q N 0.301 119.944 119.800 -0.261 0.000 2.119 221 Q HA -0.004 4.249 4.340 -0.144 0.000 0.201 221 Q C 2.407 178.251 176.000 -0.260 0.000 0.972 221 Q CA 0.949 56.604 55.803 -0.245 0.000 0.847 221 Q CB -0.083 28.511 28.738 -0.240 0.000 0.903 221 Q HN 0.366 nan 8.270 nan 0.000 0.433 222 R N -0.371 119.890 120.500 -0.398 0.000 2.073 222 R HA -0.039 4.214 4.340 -0.144 0.000 0.229 222 R C -0.017 176.048 176.300 -0.393 0.000 1.120 222 R CA 0.803 56.570 56.100 -0.554 0.000 0.967 222 R CB 0.357 30.043 30.300 -1.023 0.000 0.862 222 R HN 0.071 nan 8.270 nan 0.000 0.436 223 F N 0.257 120.170 119.950 -0.062 0.000 2.438 223 F HA 0.371 4.814 4.527 -0.141 0.000 0.315 223 F C -1.924 173.852 175.800 -0.041 0.000 1.258 223 F CA -3.221 54.759 58.000 -0.033 0.000 1.180 223 F CB 1.076 40.076 39.000 -0.001 0.000 1.412 223 F HN -0.087 nan 8.300 nan 0.000 0.544 224 P HA -0.192 nan 4.420 nan 0.000 0.216 224 P C 1.699 179.006 177.300 0.012 0.000 1.150 224 P CA 1.450 64.525 63.100 -0.042 0.000 0.843 224 P CB 0.211 31.867 31.700 -0.074 0.000 0.787 225 K N -1.038 119.401 120.400 0.065 0.000 2.365 225 K HA 0.228 4.462 4.320 -0.144 0.000 0.199 225 K C 1.330 177.998 176.600 0.114 0.000 1.045 225 K CA 0.662 56.991 56.287 0.069 0.000 0.962 225 K CB -1.196 31.332 32.500 0.047 0.000 0.759 225 K HN 0.268 nan 8.250 nan 0.000 0.469 226 A N 1.802 124.718 122.820 0.160 0.000 2.477 226 A HA 0.206 4.440 4.320 -0.144 0.000 0.246 226 A C 0.312 178.056 177.584 0.267 0.000 1.078 226 A CA -0.245 51.895 52.037 0.172 0.000 0.770 226 A CB 0.115 19.223 19.000 0.180 0.000 1.011 226 A HN 0.304 nan 8.150 nan 0.000 0.494 227 E N 0.693 120.992 120.200 0.165 0.000 2.390 227 E HA 0.132 4.396 4.350 -0.144 0.000 0.261 227 E C 0.844 177.450 176.600 0.009 0.000 1.076 227 E CA 0.018 56.504 56.400 0.144 0.000 0.905 227 E CB 0.648 30.397 29.700 0.082 0.000 0.984 227 E HN 0.634 nan 8.360 nan 0.000 0.427 228 F N 1.687 121.397 119.950 -0.400 0.000 2.087 228 F HA -0.251 4.190 4.527 -0.144 0.000 0.299 228 F C 2.185 177.817 175.800 -0.280 0.000 1.100 228 F CA 2.255 59.814 58.000 -0.735 0.000 1.226 228 F CB -0.569 37.974 39.000 -0.761 0.000 0.983 228 F HN 0.573 nan 8.300 nan 0.000 0.479 229 A N -1.011 121.658 122.820 -0.253 0.000 2.119 229 A HA -0.087 4.147 4.320 -0.144 0.000 0.217 229 A C 1.966 179.429 177.584 -0.202 0.000 1.153 229 A CA 1.383 53.266 52.037 -0.256 0.000 0.692 229 A CB -0.669 18.304 19.000 -0.045 0.000 0.799 229 A HN 0.476 nan 8.150 nan 0.000 0.458 230 E N 0.008 120.128 120.200 -0.133 0.000 2.021 230 E HA -0.076 4.188 4.350 -0.144 0.000 0.189 230 E C 1.902 178.449 176.600 -0.088 0.000 0.980 230 E CA 1.436 57.803 56.400 -0.056 0.000 0.803 230 E CB -0.509 29.196 29.700 0.009 0.000 0.766 230 E HN 0.168 nan 8.360 nan 0.000 0.449 231 V N 0.742 120.605 119.914 -0.085 0.000 2.231 231 V HA -0.352 3.681 4.120 -0.144 0.000 0.250 231 V C 2.335 178.336 176.094 -0.154 0.000 1.058 231 V CA 2.276 64.550 62.300 -0.044 0.000 1.022 231 V CB -0.940 30.897 31.823 0.024 0.000 0.640 231 V HN 0.276 nan 8.190 nan 0.000 0.445 232 S N -0.745 114.734 115.700 -0.368 0.000 2.407 232 S HA -0.298 4.086 4.470 -0.144 0.000 0.235 232 S C 2.020 176.517 174.600 -0.172 0.000 1.036 232 S CA 1.815 59.813 58.200 -0.336 0.000 1.013 232 S CB -0.368 62.527 63.200 -0.508 0.000 0.820 232 S HN 0.503 nan 8.310 nan 0.000 0.476 233 K N 1.434 121.737 120.400 -0.161 0.000 2.031 233 K HA 0.053 4.286 4.320 -0.144 0.000 0.205 233 K C 2.027 178.546 176.600 -0.136 0.000 1.049 233 K CA 0.981 57.181 56.287 -0.145 0.000 0.939 233 K CB -0.526 31.875 32.500 -0.166 0.000 0.717 233 K HN 0.369 nan 8.250 nan 0.000 0.438 234 L N 0.777 121.940 121.223 -0.100 0.000 2.012 234 L HA -0.198 4.056 4.340 -0.144 0.000 0.210 234 L C 2.566 179.453 176.870 0.028 0.000 1.073 234 L CA 1.076 55.897 54.840 -0.033 0.000 0.748 234 L CB -0.676 41.422 42.059 0.063 0.000 0.891 234 L HN -0.074 nan 8.230 nan 0.000 0.431 235 V N -0.232 119.700 119.914 0.030 0.000 2.332 235 V HA -0.310 3.724 4.120 -0.144 0.000 0.248 235 V C 2.577 178.740 176.094 0.115 0.000 1.055 235 V CA 2.439 64.790 62.300 0.085 0.000 1.038 235 V CB -0.890 30.958 31.823 0.042 0.000 0.651 235 V HN 0.527 nan 8.190 nan 0.000 0.450 236 T N -0.608 113.972 114.554 0.044 0.000 2.788 236 T HA -0.173 4.090 4.350 -0.144 0.000 0.268 236 T C 1.605 176.330 174.700 0.041 0.000 1.044 236 T CA 1.631 63.756 62.100 0.043 0.000 1.139 236 T CB -0.298 68.567 68.868 -0.004 0.000 0.867 236 T HN 0.500 nan 8.240 nan 0.000 0.454 237 D N 0.790 121.197 120.400 0.011 0.000 2.120 237 D HA 0.040 4.594 4.640 -0.144 0.000 0.202 237 D C 2.081 178.409 176.300 0.048 0.000 0.972 237 D CA 0.356 54.357 54.000 0.002 0.000 0.837 237 D CB -0.500 40.269 40.800 -0.053 0.000 0.989 237 D HN 0.128 nan 8.370 nan 0.000 0.469 238 L N 1.271 122.559 121.223 0.108 0.000 2.043 238 L HA -0.179 4.075 4.340 -0.144 0.000 0.212 238 L C 2.178 179.183 176.870 0.225 0.000 1.075 238 L CA 1.780 56.734 54.840 0.191 0.000 0.752 238 L CB -1.059 41.194 42.059 0.324 0.000 0.891 238 L HN -0.034 nan 8.230 nan 0.000 0.432 239 T N -1.112 113.598 114.554 0.260 0.000 2.720 239 T HA -0.246 4.018 4.350 -0.144 0.000 0.268 239 T C 2.068 176.753 174.700 -0.024 0.000 1.037 239 T CA 1.738 63.916 62.100 0.130 0.000 1.144 239 T CB -0.208 68.782 68.868 0.203 0.000 0.864 239 T HN 0.289 nan 8.240 nan 0.000 0.444 240 K N 0.620 121.024 120.400 0.008 0.000 2.026 240 K HA -0.066 4.168 4.320 -0.144 0.000 0.208 240 K C 2.403 178.981 176.600 -0.036 0.000 1.048 240 K CA 1.153 57.429 56.287 -0.018 0.000 0.929 240 K CB -1.044 31.451 32.500 -0.010 0.000 0.713 240 K HN 0.321 nan 8.250 nan 0.000 0.439 241 V N 1.082 120.970 119.914 -0.044 0.000 2.219 241 V HA -0.309 3.724 4.120 -0.144 0.000 0.248 241 V C 2.599 178.640 176.094 -0.087 0.000 1.053 241 V CA 2.448 64.702 62.300 -0.076 0.000 1.009 241 V CB -0.770 30.975 31.823 -0.130 0.000 0.636 241 V HN 0.623 nan 8.190 nan 0.000 0.445 242 H N -0.115 118.928 119.070 -0.046 0.000 2.387 242 H HA -0.126 4.351 4.556 -0.131 0.000 0.299 242 H C 2.492 177.722 175.328 -0.163 0.000 1.099 242 H CA 2.003 57.961 56.048 -0.150 0.000 1.315 242 H CB -0.673 28.834 29.762 -0.426 0.000 1.380 242 H HN 0.426 nan 8.280 nan 0.000 0.513 243 T N 0.947 115.450 114.554 -0.084 0.000 2.759 243 T HA -0.132 4.132 4.350 -0.144 0.000 0.269 243 T C 1.882 176.598 174.700 0.025 0.000 1.042 243 T CA 1.505 63.569 62.100 -0.060 0.000 1.140 243 T CB -0.008 68.818 68.868 -0.070 0.000 0.864 243 T HN 0.540 nan 8.240 nan 0.000 0.455 244 E N -0.066 120.147 120.200 0.023 0.000 2.046 244 E HA -0.058 4.205 4.350 -0.144 0.000 0.190 244 E C 2.546 179.202 176.600 0.093 0.000 0.982 244 E CA 0.833 57.263 56.400 0.050 0.000 0.800 244 E CB -0.296 29.406 29.700 0.002 0.000 0.756 244 E HN 0.386 nan 8.360 nan 0.000 0.449 245 c N 0.688 119.348 118.600 0.100 0.000 2.413 245 c HA -0.187 4.297 4.570 -0.144 0.000 0.276 245 c C 2.941 177.121 174.090 0.150 0.000 1.236 245 c CA 0.607 57.015 56.329 0.131 0.000 1.735 245 c CB -0.769 41.902 42.510 0.268 0.000 2.031 245 c HN 0.613 nan 8.230 nan 0.000 0.474 246 c N -1.422 117.285 118.600 0.178 0.000 2.410 246 c HA -0.144 4.339 4.570 -0.144 0.000 0.281 246 c C 2.334 176.553 174.090 0.216 0.000 1.318 246 c CA 1.500 57.952 56.329 0.205 0.000 1.776 246 c CB -1.976 40.619 42.510 0.141 0.000 1.942 246 c HN 0.783 nan 8.230 nan 0.000 0.508 247 H N -0.500 118.630 119.070 0.100 0.000 2.539 247 H HA 0.276 4.744 4.556 -0.145 0.000 0.267 247 H C 1.639 177.041 175.328 0.123 0.000 0.982 247 H CA 0.986 57.104 56.048 0.117 0.000 1.146 247 H CB -0.203 29.622 29.762 0.105 0.000 1.382 247 H HN 0.410 nan 8.280 nan 0.000 0.577 248 G N 0.274 109.116 108.800 0.069 0.000 2.175 248 G HA2 -0.248 3.626 3.960 -0.144 0.000 0.244 248 G HA3 -0.248 3.626 3.960 -0.144 0.000 0.244 248 G C -0.031 174.840 174.900 -0.048 0.000 0.982 248 G CA 0.193 45.248 45.100 -0.074 0.000 0.641 248 G HN 0.495 nan 8.290 nan 0.000 0.527 249 D N 1.617 122.053 120.400 0.061 0.000 2.767 249 D HA 0.273 4.827 4.640 -0.144 0.000 0.231 249 D C 2.147 178.376 176.300 -0.118 0.000 1.105 249 D CA -0.174 53.792 54.000 -0.056 0.000 1.024 249 D CB -0.057 40.738 40.800 -0.008 0.000 1.123 249 D HN 0.384 nan 8.370 nan 0.000 0.470 250 L N -0.239 120.872 121.223 -0.188 0.000 2.079 250 L HA -0.188 4.066 4.340 -0.144 0.000 0.210 250 L C 2.329 179.097 176.870 -0.170 0.000 1.081 250 L CA 0.942 55.676 54.840 -0.177 0.000 0.752 250 L CB -0.295 41.629 42.059 -0.227 0.000 0.896 250 L HN 0.293 nan 8.230 nan 0.000 0.433 251 L N -0.107 120.994 121.223 -0.203 0.000 2.005 251 L HA -0.174 4.079 4.340 -0.144 0.000 0.207 251 L C 2.789 179.598 176.870 -0.101 0.000 1.072 251 L CA 1.216 55.966 54.840 -0.149 0.000 0.744 251 L CB -0.718 41.256 42.059 -0.141 0.000 0.895 251 L HN 0.385 nan 8.230 nan 0.000 0.433 252 E N -0.157 119.974 120.200 -0.115 0.000 2.268 252 E HA -0.227 4.037 4.350 -0.144 0.000 0.195 252 E C 2.273 178.835 176.600 -0.063 0.000 0.995 252 E CA 1.316 57.661 56.400 -0.091 0.000 0.836 252 E CB -1.042 28.591 29.700 -0.111 0.000 0.763 252 E HN 0.537 nan 8.360 nan 0.000 0.491 253 c N 1.527 120.088 118.600 -0.065 0.000 2.462 253 c HA 0.164 4.648 4.570 -0.144 0.000 0.278 253 c C 3.056 177.115 174.090 -0.051 0.000 1.253 253 c CA 1.453 57.756 56.329 -0.043 0.000 1.713 253 c CB -0.998 41.493 42.510 -0.031 0.000 2.049 253 c HN 0.543 nan 8.230 nan 0.000 0.477 254 A N 0.070 122.844 122.820 -0.077 0.000 1.908 254 A HA -0.209 4.025 4.320 -0.144 0.000 0.218 254 A C 1.975 179.540 177.584 -0.031 0.000 1.181 254 A CA 2.428 54.420 52.037 -0.075 0.000 0.627 254 A CB -0.890 18.061 19.000 -0.082 0.000 0.818 254 A HN 0.710 nan 8.150 nan 0.000 0.445 255 D N 0.069 120.458 120.400 -0.018 0.000 2.081 255 D HA -0.138 4.415 4.640 -0.144 0.000 0.194 255 D C 1.491 177.801 176.300 0.016 0.000 0.986 255 D CA 1.440 55.447 54.000 0.012 0.000 0.837 255 D CB -0.392 40.421 40.800 0.021 0.000 0.985 255 D HN 0.384 nan 8.370 nan 0.000 0.448 256 D N 0.210 120.613 120.400 0.005 0.000 2.158 256 D HA -0.204 4.350 4.640 -0.144 0.000 0.197 256 D C 2.081 178.390 176.300 0.015 0.000 0.995 256 D CA 0.694 54.699 54.000 0.009 0.000 0.846 256 D CB -0.179 40.617 40.800 -0.006 0.000 0.941 256 D HN 0.236 nan 8.370 nan 0.000 0.456 257 R N 1.711 122.217 120.500 0.010 0.000 2.120 257 R HA -0.065 4.189 4.340 -0.144 0.000 0.234 257 R C 1.880 178.203 176.300 0.037 0.000 1.123 257 R CA 1.473 57.590 56.100 0.028 0.000 0.975 257 R CB -0.482 29.831 30.300 0.021 0.000 0.866 257 R HN 0.099 nan 8.270 nan 0.000 0.446 258 A N 1.545 124.381 122.820 0.028 0.000 1.873 258 A HA -0.129 4.105 4.320 -0.144 0.000 0.215 258 A C 1.771 179.385 177.584 0.049 0.000 1.186 258 A CA 1.562 53.620 52.037 0.035 0.000 0.616 258 A CB -0.428 18.590 19.000 0.030 0.000 0.823 258 A HN 0.375 nan 8.150 nan 0.000 0.442 259 D N -0.142 120.289 120.400 0.052 0.000 2.087 259 D HA -0.165 4.389 4.640 -0.144 0.000 0.192 259 D C 1.858 178.214 176.300 0.093 0.000 0.993 259 D CA 1.464 55.505 54.000 0.069 0.000 0.828 259 D CB -0.711 40.126 40.800 0.061 0.000 0.968 259 D HN 0.279 nan 8.370 nan 0.000 0.448 260 L N 0.978 122.245 121.223 0.073 0.000 2.089 260 L HA -0.226 4.027 4.340 -0.144 0.000 0.213 260 L C 2.093 179.038 176.870 0.124 0.000 1.079 260 L CA 2.001 56.890 54.840 0.082 0.000 0.758 260 L CB -0.774 41.316 42.059 0.052 0.000 0.891 260 L HN 0.016 nan 8.230 nan 0.000 0.433 261 A N -0.983 121.894 122.820 0.096 0.000 1.897 261 A HA -0.204 4.030 4.320 -0.144 0.000 0.215 261 A C 2.432 180.064 177.584 0.079 0.000 1.181 261 A CA 1.603 53.691 52.037 0.084 0.000 0.620 261 A CB -0.572 18.465 19.000 0.062 0.000 0.821 261 A HN 0.506 nan 8.150 nan 0.000 0.443 262 K N -1.460 118.987 120.400 0.079 0.000 2.032 262 K HA -0.239 3.995 4.320 -0.144 0.000 0.209 262 K C 1.946 178.582 176.600 0.060 0.000 1.048 262 K CA 1.974 58.295 56.287 0.057 0.000 0.927 262 K CB -0.472 32.062 32.500 0.057 0.000 0.712 262 K HN 0.473 nan 8.250 nan 0.000 0.441 263 Y N 1.746 122.043 120.300 -0.005 0.000 2.070 263 Y HA -0.234 4.230 4.550 -0.144 0.000 0.280 263 Y C 2.025 177.906 175.900 -0.032 0.000 1.148 263 Y CA 1.990 60.082 58.100 -0.014 0.000 1.125 263 Y CB -0.392 38.063 38.460 -0.009 0.000 0.975 263 Y HN 0.043 nan 8.280 nan 0.000 0.492 264 I N -0.896 119.834 120.570 0.266 0.000 2.248 264 I HA -0.447 3.637 4.170 -0.144 0.000 0.248 264 I C 2.476 178.564 176.117 -0.049 0.000 1.107 264 I CA 1.528 62.896 61.300 0.113 0.000 1.373 264 I CB -0.645 37.407 38.000 0.086 0.000 1.055 264 I HN 0.394 nan 8.210 nan 0.000 0.418 265 c N 0.468 119.045 118.600 -0.039 0.000 2.457 265 c HA -0.087 4.397 4.570 -0.144 0.000 0.278 265 c C 2.595 176.623 174.090 -0.103 0.000 1.309 265 c CA 0.529 56.822 56.329 -0.060 0.000 1.735 265 c CB -0.936 41.557 42.510 -0.029 0.000 1.992 265 c HN 0.496 nan 8.230 nan 0.000 0.493 266 E N 1.386 121.495 120.200 -0.151 0.000 2.017 266 E HA -0.169 4.095 4.350 -0.144 0.000 0.193 266 E C 1.056 177.525 176.600 -0.218 0.000 0.997 266 E CA 1.289 57.578 56.400 -0.184 0.000 0.804 266 E CB -0.387 29.170 29.700 -0.237 0.000 0.757 266 E HN 0.638 nan 8.360 nan 0.000 0.448 267 N N 1.420 119.918 118.700 -0.337 0.000 2.471 267 N HA -0.044 4.609 4.740 -0.144 0.000 0.205 267 N C 0.908 176.312 175.510 -0.177 0.000 1.251 267 N CA 0.114 52.996 53.050 -0.281 0.000 0.843 267 N CB 0.016 38.262 38.487 -0.401 0.000 1.044 267 N HN 0.207 nan 8.380 nan 0.000 0.461 268 Q N 0.707 120.418 119.800 -0.148 0.000 1.968 268 Q HA -0.339 3.914 4.340 -0.144 0.000 0.216 268 Q C 2.007 177.940 176.000 -0.111 0.000 1.037 268 Q CA 2.613 58.342 55.803 -0.123 0.000 0.889 268 Q CB -0.848 27.838 28.738 -0.087 0.000 0.998 268 Q HN 0.748 nan 8.270 nan 0.000 0.417 269 D N 0.094 120.444 120.400 -0.082 0.000 2.191 269 D HA -0.164 4.390 4.640 -0.144 0.000 0.195 269 D C 1.801 178.066 176.300 -0.057 0.000 1.003 269 D CA 1.643 55.607 54.000 -0.060 0.000 0.867 269 D CB -0.588 40.183 40.800 -0.048 0.000 0.926 269 D HN 0.245 nan 8.370 nan 0.000 0.450 270 S N -1.284 114.374 115.700 -0.069 0.000 2.603 270 S HA 0.300 4.684 4.470 -0.144 0.000 0.220 270 S C 1.445 176.006 174.600 -0.066 0.000 0.967 270 S CA 0.150 58.321 58.200 -0.049 0.000 0.920 270 S CB 0.020 63.197 63.200 -0.039 0.000 0.773 270 S HN 0.636 nan 8.310 nan 0.000 0.529 271 I N -1.449 119.044 120.570 -0.129 0.000 3.809 271 I HA 0.247 4.331 4.170 -0.144 0.000 0.245 271 I C 0.585 176.578 176.117 -0.207 0.000 1.119 271 I CA 0.024 61.172 61.300 -0.253 0.000 1.597 271 I CB 0.426 38.138 38.000 -0.481 0.000 1.605 271 I HN 0.072 nan 8.210 nan 0.000 0.441 272 S N -0.345 115.241 115.700 -0.190 0.000 2.556 272 S HA 0.309 4.692 4.470 -0.144 0.000 0.271 272 S C -0.103 174.490 174.600 -0.012 0.000 1.135 272 S CA -0.361 57.828 58.200 -0.018 0.000 0.858 272 S CB 1.580 64.874 63.200 0.155 0.000 1.114 272 S HN 0.260 nan 8.310 nan 0.000 0.468 273 S N 2.523 118.234 115.700 0.020 0.000 2.602 273 S HA 0.358 4.742 4.470 -0.144 0.000 0.246 273 S C 0.377 174.988 174.600 0.019 0.000 1.009 273 S CA -0.431 57.774 58.200 0.008 0.000 1.052 273 S CB -0.153 63.050 63.200 0.005 0.000 0.778 273 S HN 0.568 nan 8.310 nan 0.000 0.455 274 K N 0.554 120.977 120.400 0.037 0.000 2.440 274 K HA 0.362 4.596 4.320 -0.144 0.000 0.207 274 K C 0.955 177.578 176.600 0.039 0.000 1.112 274 K CA -0.030 56.281 56.287 0.040 0.000 1.036 274 K CB -0.013 32.522 32.500 0.059 0.000 0.935 274 K HN 0.381 nan 8.250 nan 0.000 0.564 275 L N 1.297 122.539 121.223 0.031 0.000 2.622 275 L HA -0.061 4.193 4.340 -0.144 0.000 0.233 275 L C 2.069 178.941 176.870 0.002 0.000 1.156 275 L CA 0.339 55.190 54.840 0.017 0.000 0.866 275 L CB -0.463 41.585 42.059 -0.018 0.000 0.980 275 L HN -0.036 nan 8.230 nan 0.000 0.448 276 K N 0.300 120.701 120.400 0.002 0.000 1.964 276 K HA -0.202 4.031 4.320 -0.144 0.000 0.218 276 K C 2.523 179.125 176.600 0.004 0.000 1.043 276 K CA 1.596 57.882 56.287 -0.001 0.000 0.966 276 K CB -1.035 31.464 32.500 -0.001 0.000 0.739 276 K HN 0.573 nan 8.250 nan 0.000 0.443 277 E N 0.004 120.209 120.200 0.009 0.000 2.208 277 E HA -0.307 3.957 4.350 -0.144 0.000 0.202 277 E C 2.156 178.764 176.600 0.014 0.000 1.014 277 E CA 2.169 58.576 56.400 0.012 0.000 0.819 277 E CB -1.641 28.068 29.700 0.016 0.000 0.735 277 E HN 0.597 nan 8.360 nan 0.000 0.469 278 c N -0.710 117.898 118.600 0.013 0.000 2.453 278 c HA -0.060 4.424 4.570 -0.144 0.000 0.277 278 c C 2.712 176.808 174.090 0.009 0.000 1.262 278 c CA 0.762 57.098 56.329 0.012 0.000 1.718 278 c CB -0.818 41.701 42.510 0.015 0.000 2.031 278 c HN 0.812 nan 8.230 nan 0.000 0.480 279 c N 0.668 119.271 118.600 0.004 0.000 2.525 279 c HA 0.026 4.510 4.570 -0.144 0.000 0.279 279 c C 1.599 175.690 174.090 0.001 0.000 1.437 279 c CA 0.656 56.985 56.329 -0.000 0.000 1.704 279 c CB -2.225 40.278 42.510 -0.011 0.000 1.672 279 c HN 0.624 nan 8.230 nan 0.000 0.582 280 E N 0.454 120.658 120.200 0.006 0.000 2.651 280 E HA 0.098 4.361 4.350 -0.144 0.000 0.208 280 E C 0.442 177.050 176.600 0.014 0.000 0.997 280 E CA -0.045 56.359 56.400 0.007 0.000 1.020 280 E CB 0.225 29.929 29.700 0.006 0.000 1.052 280 E HN 0.708 nan 8.360 nan 0.000 0.465 281 K N -0.979 119.431 120.400 0.017 0.000 2.378 281 K HA 0.617 4.851 4.320 -0.144 0.000 0.244 281 K C -2.886 173.729 176.600 0.026 0.000 1.039 281 K CA -2.346 53.956 56.287 0.025 0.000 0.863 281 K CB 0.666 33.185 32.500 0.032 0.000 1.326 281 K HN -0.287 nan 8.250 nan 0.000 0.460 282 P HA -0.123 nan 4.420 nan 0.000 0.266 282 P C 1.147 178.468 177.300 0.035 0.000 1.193 282 P CA -0.413 62.711 63.100 0.039 0.000 0.770 282 P CB 0.492 32.225 31.700 0.054 0.000 0.836 283 L N 3.564 124.807 121.223 0.032 0.000 1.987 283 L HA -0.262 3.992 4.340 -0.144 0.000 0.230 283 L C 2.214 179.097 176.870 0.022 0.000 1.089 283 L CA 2.030 56.886 54.840 0.027 0.000 0.802 283 L CB -1.943 40.133 42.059 0.029 0.000 0.905 283 L HN 0.447 nan 8.230 nan 0.000 0.441 284 L N -1.077 120.171 121.223 0.043 0.000 1.978 284 L HA -0.316 3.938 4.340 -0.144 0.000 0.218 284 L C 2.677 179.499 176.870 -0.080 0.000 1.075 284 L CA 2.532 57.398 54.840 0.043 0.000 0.767 284 L CB -1.054 41.109 42.059 0.172 0.000 0.890 284 L HN 0.449 nan 8.230 nan 0.000 0.434 285 E N -0.144 120.046 120.200 -0.016 0.000 2.153 285 E HA -0.225 4.039 4.350 -0.144 0.000 0.194 285 E C 2.091 178.640 176.600 -0.084 0.000 0.988 285 E CA 1.143 57.490 56.400 -0.088 0.000 0.811 285 E CB -0.052 29.693 29.700 0.075 0.000 0.746 285 E HN 0.311 nan 8.360 nan 0.000 0.466 286 K N 0.039 120.421 120.400 -0.031 0.000 1.984 286 K HA -0.098 4.135 4.320 -0.144 0.000 0.209 286 K C 2.317 178.904 176.600 -0.021 0.000 1.046 286 K CA 1.466 57.745 56.287 -0.013 0.000 0.934 286 K CB -0.190 32.314 32.500 0.006 0.000 0.717 286 K HN -0.042 nan 8.250 nan 0.000 0.438 287 S N -0.207 115.483 115.700 -0.017 0.000 2.368 287 S HA -0.263 4.121 4.470 -0.144 0.000 0.226 287 S C 1.844 176.440 174.600 -0.007 0.000 1.044 287 S CA 1.979 60.185 58.200 0.010 0.000 1.062 287 S CB -0.559 62.655 63.200 0.024 0.000 0.931 287 S HN 0.523 nan 8.310 nan 0.000 0.440 288 H N -0.366 118.562 119.070 -0.236 0.000 2.387 288 H HA -0.084 4.382 4.556 -0.150 0.000 0.299 288 H C 2.457 177.680 175.328 -0.175 0.000 1.099 288 H CA 1.834 57.692 56.048 -0.316 0.000 1.315 288 H CB -0.749 28.450 29.762 -0.938 0.000 1.380 288 H HN 0.464 nan 8.280 nan 0.000 0.513 289 c N -0.254 118.252 118.600 -0.157 0.000 2.453 289 c HA -0.059 4.425 4.570 -0.144 0.000 0.277 289 c C 2.749 176.793 174.090 -0.076 0.000 1.262 289 c CA 0.931 57.190 56.329 -0.117 0.000 1.718 289 c CB -1.308 41.184 42.510 -0.030 0.000 2.031 289 c HN 0.681 nan 8.230 nan 0.000 0.480 290 I N 1.698 122.258 120.570 -0.016 0.000 2.099 290 I HA -0.190 3.893 4.170 -0.144 0.000 0.239 290 I C 2.927 179.075 176.117 0.052 0.000 1.066 290 I CA 1.860 63.195 61.300 0.058 0.000 1.324 290 I CB -0.910 37.145 38.000 0.092 0.000 1.037 290 I HN 0.390 nan 8.210 nan 0.000 0.401 291 A N 0.116 122.951 122.820 0.023 0.000 2.042 291 A HA -0.209 4.025 4.320 -0.144 0.000 0.222 291 A C 1.917 179.472 177.584 -0.048 0.000 1.167 291 A CA 1.830 53.881 52.037 0.024 0.000 0.649 291 A CB -0.358 18.674 19.000 0.054 0.000 0.809 291 A HN 0.468 nan 8.150 nan 0.000 0.457 292 E N -0.840 119.279 120.200 -0.135 0.000 2.538 292 E HA 0.176 4.440 4.350 -0.144 0.000 0.207 292 E C 0.158 176.703 176.600 -0.092 0.000 1.002 292 E CA -0.273 56.040 56.400 -0.145 0.000 0.952 292 E CB -0.105 29.434 29.700 -0.269 0.000 1.031 292 E HN 0.278 nan 8.360 nan 0.000 0.476 293 V N 3.136 123.020 119.914 -0.049 0.000 2.694 293 V HA -0.101 3.933 4.120 -0.144 0.000 0.306 293 V C 0.520 176.592 176.094 -0.036 0.000 1.054 293 V CA 0.093 62.387 62.300 -0.009 0.000 1.161 293 V CB 0.311 32.182 31.823 0.080 0.000 0.916 293 V HN 0.249 nan 8.190 nan 0.000 0.490 294 E N 5.963 126.149 120.200 -0.022 0.000 2.392 294 E HA 0.196 4.460 4.350 -0.144 0.000 0.256 294 E C -0.115 176.457 176.600 -0.046 0.000 1.145 294 E CA -0.705 55.672 56.400 -0.037 0.000 0.929 294 E CB 0.255 29.944 29.700 -0.018 0.000 0.998 294 E HN 0.711 nan 8.360 nan 0.000 0.442 295 N N 1.292 119.949 118.700 -0.072 0.000 2.416 295 N HA -0.013 4.640 4.740 -0.144 0.000 0.246 295 N C -0.587 174.905 175.510 -0.029 0.000 1.260 295 N CA 0.057 53.056 53.050 -0.086 0.000 0.897 295 N CB 0.325 38.752 38.487 -0.101 0.000 1.110 295 N HN 0.534 nan 8.380 nan 0.000 0.439 296 D N 0.342 120.741 120.400 -0.002 0.000 2.283 296 D HA 0.241 4.794 4.640 -0.144 0.000 0.248 296 D C -0.144 176.151 176.300 -0.008 0.000 1.072 296 D CA -0.194 53.823 54.000 0.029 0.000 0.929 296 D CB 0.593 41.447 40.800 0.091 0.000 1.182 296 D HN 0.517 nan 8.370 nan 0.000 0.433 297 E N 1.909 122.104 120.200 -0.009 0.000 2.452 297 E HA 0.083 4.347 4.350 -0.144 0.000 0.261 297 E C 0.293 176.871 176.600 -0.037 0.000 0.987 297 E CA -0.008 56.376 56.400 -0.026 0.000 0.926 297 E CB 0.034 29.722 29.700 -0.020 0.000 0.934 297 E HN 0.583 nan 8.360 nan 0.000 0.452 298 M N 3.217 122.781 119.600 -0.060 0.000 2.219 298 M HA 0.300 4.694 4.480 -0.144 0.000 0.353 298 M C -2.107 174.153 176.300 -0.067 0.000 1.304 298 M CA -1.366 53.885 55.300 -0.081 0.000 1.115 298 M CB 0.690 33.219 32.600 -0.118 0.000 1.664 298 M HN 0.320 nan 8.290 nan 0.000 0.459 299 P HA -0.009 nan 4.420 nan 0.000 0.264 299 P C -0.313 176.956 177.300 -0.052 0.000 1.179 299 P CA 0.094 63.167 63.100 -0.044 0.000 0.763 299 P CB 0.609 32.288 31.700 -0.036 0.000 0.806 300 A N 3.530 126.327 122.820 -0.037 0.000 1.841 300 A HA -0.121 4.113 4.320 -0.144 0.000 0.216 300 A C 0.663 178.224 177.584 -0.039 0.000 1.199 300 A CA 1.450 53.465 52.037 -0.037 0.000 0.621 300 A CB -0.670 18.315 19.000 -0.026 0.000 0.835 300 A HN 0.565 nan 8.150 nan 0.000 0.445 301 D N 0.234 120.617 120.400 -0.029 0.000 2.443 301 D HA 0.495 5.049 4.640 -0.144 0.000 0.221 301 D C -1.125 175.159 176.300 -0.027 0.000 1.097 301 D CA 0.239 54.223 54.000 -0.027 0.000 0.865 301 D CB 1.056 41.847 40.800 -0.015 0.000 1.034 301 D HN 0.198 nan 8.370 nan 0.000 0.511 302 L N 4.093 125.291 121.223 -0.042 0.000 2.343 302 L HA 0.319 4.573 4.340 -0.144 0.000 0.278 302 L C -1.823 175.025 176.870 -0.037 0.000 0.996 302 L CA -1.683 53.131 54.840 -0.044 0.000 0.831 302 L CB 1.924 43.934 42.059 -0.080 0.000 1.232 302 L HN 0.112 nan 8.230 nan 0.000 0.413 303 P HA 0.009 nan 4.420 nan 0.000 0.267 303 P C -0.124 177.175 177.300 -0.001 0.000 1.200 303 P CA -0.122 62.978 63.100 -0.001 0.000 0.772 303 P CB 1.067 32.777 31.700 0.016 0.000 0.855 304 S N 0.974 116.677 115.700 0.005 0.000 2.568 304 S HA 0.031 4.415 4.470 -0.144 0.000 0.282 304 S C 1.608 176.247 174.600 0.066 0.000 1.338 304 S CA -0.546 57.663 58.200 0.016 0.000 1.045 304 S CB -0.074 63.138 63.200 0.021 0.000 0.873 304 S HN 0.404 nan 8.310 nan 0.000 0.516 305 L N 4.072 125.356 121.223 0.100 0.000 2.093 305 L HA -0.078 4.175 4.340 -0.144 0.000 0.208 305 L C 2.787 179.840 176.870 0.304 0.000 1.085 305 L CA 1.456 56.439 54.840 0.239 0.000 0.755 305 L CB -0.798 41.382 42.059 0.202 0.000 0.904 305 L HN 0.893 nan 8.230 nan 0.000 0.435 306 A N 0.095 123.000 122.820 0.141 0.000 2.093 306 A HA -0.271 3.963 4.320 -0.144 0.000 0.222 306 A C 2.451 180.053 177.584 0.029 0.000 1.162 306 A CA 1.776 53.779 52.037 -0.057 0.000 0.655 306 A CB -0.647 18.232 19.000 -0.201 0.000 0.805 306 A HN 0.462 nan 8.150 nan 0.000 0.461 307 A N 0.522 123.378 122.820 0.060 0.000 1.829 307 A HA -0.197 4.037 4.320 -0.144 0.000 0.216 307 A C 1.594 179.187 177.584 0.015 0.000 1.207 307 A CA 1.935 53.994 52.037 0.036 0.000 0.622 307 A CB -0.788 18.231 19.000 0.031 0.000 0.846 307 A HN 0.453 nan 8.150 nan 0.000 0.447 308 D N -1.807 118.567 120.400 -0.043 0.000 2.349 308 D HA 0.157 4.711 4.640 -0.144 0.000 0.215 308 D C 0.681 176.749 176.300 -0.387 0.000 1.016 308 D CA 0.512 54.363 54.000 -0.249 0.000 0.870 308 D CB -0.006 40.529 40.800 -0.440 0.000 0.917 308 D HN 0.466 nan 8.370 nan 0.000 0.524 309 F N -0.952 119.115 119.950 0.195 0.000 2.746 309 F HA 0.192 4.634 4.527 -0.142 0.000 0.313 309 F C 1.661 177.598 175.800 0.228 0.000 1.095 309 F CA -0.023 58.140 58.000 0.271 0.000 1.224 309 F CB 0.619 39.780 39.000 0.269 0.000 1.060 309 F HN -0.175 nan 8.300 nan 0.000 0.584 310 V N -1.075 118.979 119.914 0.232 0.000 3.449 310 V HA 0.026 4.060 4.120 -0.144 0.000 0.208 310 V C 1.788 177.932 176.094 0.083 0.000 1.269 310 V CA 0.407 62.789 62.300 0.136 0.000 1.301 310 V CB -0.295 31.426 31.823 -0.170 0.000 1.306 310 V HN -0.024 nan 8.190 nan 0.000 0.531 311 E N 1.095 121.305 120.200 0.016 0.000 2.051 311 E HA -0.123 4.141 4.350 -0.144 0.000 0.192 311 E C 1.349 178.044 176.600 0.158 0.000 0.991 311 E CA 1.297 57.735 56.400 0.064 0.000 0.799 311 E CB -0.195 29.538 29.700 0.054 0.000 0.748 311 E HN 0.427 nan 8.360 nan 0.000 0.449 312 S N 0.137 115.907 115.700 0.117 0.000 2.537 312 S HA 0.005 4.389 4.470 -0.144 0.000 0.280 312 S C 0.674 175.396 174.600 0.202 0.000 1.335 312 S CA 1.005 59.277 58.200 0.121 0.000 1.025 312 S CB 0.720 63.953 63.200 0.054 0.000 0.836 312 S HN 0.289 nan 8.310 nan 0.000 0.523 313 K N 1.357 121.868 120.400 0.184 0.000 2.514 313 K HA 0.266 4.500 4.320 -0.144 0.000 0.207 313 K C 0.340 177.022 176.600 0.137 0.000 1.035 313 K CA 0.101 56.530 56.287 0.235 0.000 1.113 313 K CB -0.095 32.517 32.500 0.188 0.000 0.846 313 K HN 0.740 nan 8.250 nan 0.000 0.491 314 D N -0.365 120.079 120.400 0.073 0.000 2.469 314 D HA 0.073 4.627 4.640 -0.144 0.000 0.213 314 D C 1.594 177.844 176.300 -0.083 0.000 1.135 314 D CA 0.389 54.388 54.000 -0.002 0.000 0.834 314 D CB 0.763 41.545 40.800 -0.029 0.000 1.009 314 D HN 0.093 nan 8.370 nan 0.000 0.507 315 V N 0.976 120.855 119.914 -0.059 0.000 2.220 315 V HA -0.390 3.643 4.120 -0.144 0.000 0.250 315 V C 2.612 178.536 176.094 -0.284 0.000 1.053 315 V CA 1.856 64.038 62.300 -0.197 0.000 1.019 315 V CB -1.085 30.555 31.823 -0.305 0.000 0.646 315 V HN 0.323 nan 8.190 nan 0.000 0.455 316 c N -0.253 118.256 118.600 -0.151 0.000 2.403 316 c HA -0.198 4.285 4.570 -0.144 0.000 0.282 316 c C 2.789 176.853 174.090 -0.044 0.000 1.297 316 c CA 1.534 57.836 56.329 -0.044 0.000 1.785 316 c CB -1.259 41.281 42.510 0.049 0.000 1.963 316 c HN 0.666 nan 8.230 nan 0.000 0.507 317 K N 0.994 121.342 120.400 -0.087 0.000 2.007 317 K HA -0.110 4.124 4.320 -0.144 0.000 0.206 317 K C 1.795 178.297 176.600 -0.165 0.000 1.047 317 K CA 1.414 57.646 56.287 -0.091 0.000 0.937 317 K CB -0.259 32.200 32.500 -0.068 0.000 0.718 317 K HN 0.441 nan 8.250 nan 0.000 0.438 318 N N 0.167 118.685 118.700 -0.304 0.000 2.223 318 N HA -0.189 4.464 4.740 -0.144 0.000 0.185 318 N C 1.715 176.938 175.510 -0.478 0.000 1.016 318 N CA 0.991 53.772 53.050 -0.448 0.000 0.863 318 N CB -0.389 37.659 38.487 -0.732 0.000 0.983 318 N HN 0.289 nan 8.380 nan 0.000 0.429 319 Y N 1.873 121.781 120.300 -0.654 0.000 2.163 319 Y HA -0.034 4.429 4.550 -0.145 0.000 0.288 319 Y C 2.360 178.188 175.900 -0.120 0.000 1.136 319 Y CA 1.212 59.129 58.100 -0.306 0.000 1.147 319 Y CB -0.665 37.671 38.460 -0.206 0.000 0.987 319 Y HN 0.051 nan 8.280 nan 0.000 0.509 320 A N 0.432 123.147 122.820 -0.175 0.000 1.908 320 A HA -0.194 4.040 4.320 -0.144 0.000 0.218 320 A C 2.225 179.713 177.584 -0.161 0.000 1.181 320 A CA 2.651 54.566 52.037 -0.204 0.000 0.627 320 A CB -1.474 17.467 19.000 -0.099 0.000 0.818 320 A HN 0.579 nan 8.150 nan 0.000 0.445 321 E N -0.758 119.373 120.200 -0.115 0.000 2.031 321 E HA 0.256 4.520 4.350 -0.144 0.000 0.193 321 E C 1.139 177.712 176.600 -0.044 0.000 0.994 321 E CA 1.657 58.016 56.400 -0.068 0.000 0.800 321 E CB -0.583 29.086 29.700 -0.051 0.000 0.752 321 E HN 1.644 nan 8.360 nan 0.000 0.447 322 A N -1.340 121.466 122.820 -0.023 0.000 3.307 322 A HA 0.602 4.835 4.320 -0.144 0.000 0.289 322 A C 1.359 179.005 177.584 0.104 0.000 1.138 322 A CA 0.794 52.853 52.037 0.036 0.000 0.860 322 A CB 0.124 19.172 19.000 0.081 0.000 1.318 322 A HN 0.620 nan 8.150 nan 0.000 0.551 323 K N 0.320 120.718 120.400 -0.004 0.000 2.144 323 K HA -0.253 3.980 4.320 -0.144 0.000 0.209 323 K C 1.270 178.015 176.600 0.242 0.000 1.047 323 K CA 2.592 58.926 56.287 0.078 0.000 0.927 323 K CB -0.768 31.606 32.500 -0.210 0.000 0.716 323 K HN 0.674 nan 8.250 nan 0.000 0.454 324 D N 0.092 120.589 120.400 0.161 0.000 2.077 324 D HA -0.103 4.450 4.640 -0.144 0.000 0.193 324 D C 2.084 178.520 176.300 0.227 0.000 0.989 324 D CA 1.740 55.847 54.000 0.179 0.000 0.831 324 D CB -0.588 40.293 40.800 0.136 0.000 0.979 324 D HN 0.179 nan 8.370 nan 0.000 0.449 325 V N 0.944 120.994 119.914 0.226 0.000 2.287 325 V HA -0.247 3.787 4.120 -0.144 0.000 0.248 325 V C 2.225 178.453 176.094 0.224 0.000 1.053 325 V CA 1.402 63.850 62.300 0.246 0.000 1.027 325 V CB -0.565 31.389 31.823 0.219 0.000 0.646 325 V HN 0.079 nan 8.190 nan 0.000 0.447 326 F N 0.364 120.402 119.950 0.146 0.000 2.046 326 F HA -0.201 4.240 4.527 -0.142 0.000 0.297 326 F C 2.126 178.103 175.800 0.294 0.000 1.123 326 F CA 1.731 59.858 58.000 0.212 0.000 1.199 326 F CB -0.472 38.687 39.000 0.264 0.000 0.972 326 F HN 0.004 nan 8.300 nan 0.000 0.474 327 L N -0.415 120.951 121.223 0.239 0.000 2.083 327 L HA -0.159 4.095 4.340 -0.144 0.000 0.209 327 L C 2.748 179.702 176.870 0.141 0.000 1.083 327 L CA 1.257 56.194 54.840 0.162 0.000 0.752 327 L CB -1.595 40.611 42.059 0.245 0.000 0.899 327 L HN 0.358 nan 8.230 nan 0.000 0.433 328 G N -0.131 108.772 108.800 0.171 0.000 2.440 328 G HA2 -0.281 3.593 3.960 -0.144 0.000 0.218 328 G HA3 -0.281 3.593 3.960 -0.144 0.000 0.218 328 G C 1.619 176.604 174.900 0.140 0.000 1.154 328 G CA 0.703 45.945 45.100 0.236 0.000 0.767 328 G HN 0.187 nan 8.290 nan 0.000 0.552 329 M N -0.529 118.960 119.600 -0.185 0.000 2.117 329 M HA 0.027 4.421 4.480 -0.144 0.000 0.262 329 M C 2.391 178.623 176.300 -0.113 0.000 1.065 329 M CA 1.135 56.205 55.300 -0.383 0.000 1.114 329 M CB -0.566 31.828 32.600 -0.344 0.000 1.361 329 M HN 0.277 nan 8.290 nan 0.000 0.408 330 F N 1.575 121.262 119.950 -0.438 0.000 2.095 330 F HA -0.262 4.178 4.527 -0.145 0.000 0.298 330 F C 2.074 177.640 175.800 -0.390 0.000 1.104 330 F CA 1.448 58.932 58.000 -0.860 0.000 1.232 330 F CB -0.438 38.034 39.000 -0.879 0.000 0.987 330 F HN -0.018 nan 8.300 nan 0.000 0.475 331 L N 0.082 121.220 121.223 -0.142 0.000 2.012 331 L HA -0.228 4.026 4.340 -0.144 0.000 0.210 331 L C 2.302 179.106 176.870 -0.110 0.000 1.073 331 L CA 2.258 57.014 54.840 -0.140 0.000 0.748 331 L CB -1.756 40.321 42.059 0.030 0.000 0.891 331 L HN 0.454 nan 8.230 nan 0.000 0.431 332 Y N 0.360 120.615 120.300 -0.076 0.000 2.097 332 Y HA -0.258 4.205 4.550 -0.145 0.000 0.282 332 Y C 2.401 178.247 175.900 -0.089 0.000 1.152 332 Y CA 2.221 60.324 58.100 0.004 0.000 1.136 332 Y CB -0.199 38.420 38.460 0.265 0.000 0.975 332 Y HN 0.282 nan 8.280 nan 0.000 0.498 333 E N -0.528 119.609 120.200 -0.106 0.000 2.051 333 E HA -0.247 4.016 4.350 -0.144 0.000 0.192 333 E C 2.091 178.469 176.600 -0.370 0.000 0.991 333 E CA 1.586 57.833 56.400 -0.255 0.000 0.799 333 E CB -0.915 28.717 29.700 -0.112 0.000 0.748 333 E HN 0.636 nan 8.360 nan 0.000 0.449 334 Y N 0.900 120.851 120.300 -0.581 0.000 2.263 334 Y HA -0.099 4.365 4.550 -0.143 0.000 0.292 334 Y C 2.240 177.939 175.900 -0.334 0.000 1.130 334 Y CA 1.107 58.900 58.100 -0.511 0.000 1.179 334 Y CB -0.282 37.700 38.460 -0.797 0.000 0.998 334 Y HN 0.020 nan 8.280 nan 0.000 0.532 335 A N 0.914 123.649 122.820 -0.143 0.000 1.872 335 A HA -0.151 4.083 4.320 -0.144 0.000 0.214 335 A C 2.316 179.765 177.584 -0.225 0.000 1.187 335 A CA 1.486 53.431 52.037 -0.153 0.000 0.614 335 A CB -0.724 18.164 19.000 -0.187 0.000 0.826 335 A HN 0.535 nan 8.150 nan 0.000 0.442 336 R N 0.575 120.872 120.500 -0.340 0.000 2.170 336 R HA -0.185 4.068 4.340 -0.144 0.000 0.242 336 R C 1.573 177.692 176.300 -0.302 0.000 1.145 336 R CA 1.822 57.707 56.100 -0.358 0.000 0.984 336 R CB -0.449 29.533 30.300 -0.529 0.000 0.869 336 R HN 0.630 nan 8.270 nan 0.000 0.455 337 R N -0.672 119.625 120.500 -0.339 0.000 2.468 337 R HA 0.172 4.426 4.340 -0.144 0.000 0.280 337 R C -0.315 175.625 176.300 -0.601 0.000 0.963 337 R CA -0.239 55.609 56.100 -0.419 0.000 1.083 337 R CB 0.270 30.297 30.300 -0.455 0.000 1.200 337 R HN 0.232 nan 8.270 nan 0.000 0.541 338 H N 1.623 120.494 119.070 -0.331 0.000 2.439 338 H HA 0.224 4.693 4.556 -0.144 0.000 0.228 338 H C -2.052 173.110 175.328 -0.276 0.000 1.423 338 H CA -1.771 54.023 56.048 -0.422 0.000 1.386 338 H CB 1.785 31.138 29.762 -0.683 0.000 1.641 338 H HN 0.145 nan 8.280 nan 0.000 0.508 339 P HA -0.053 nan 4.420 nan 0.000 0.242 339 P C 0.779 178.068 177.300 -0.018 0.000 1.197 339 P CA 0.633 63.684 63.100 -0.082 0.000 0.765 339 P CB 0.375 32.013 31.700 -0.103 0.000 0.936 340 D N -2.160 118.255 120.400 0.025 0.000 2.339 340 D HA -0.059 4.494 4.640 -0.144 0.000 0.217 340 D C 0.026 176.506 176.300 0.301 0.000 1.050 340 D CA -0.055 54.015 54.000 0.117 0.000 0.856 340 D CB -0.361 40.515 40.800 0.127 0.000 0.922 340 D HN 0.078 nan 8.370 nan 0.000 0.518 341 Y N 1.540 121.826 120.300 -0.023 0.000 2.457 341 Y HA 0.357 4.819 4.550 -0.145 0.000 0.333 341 Y C 0.941 176.777 175.900 -0.106 0.000 1.119 341 Y CA -2.426 55.620 58.100 -0.090 0.000 1.143 341 Y CB 1.687 40.061 38.460 -0.143 0.000 1.230 341 Y HN -0.124 nan 8.280 nan 0.000 0.469 342 S N -0.096 115.610 115.700 0.010 0.000 2.601 342 S HA 0.312 4.696 4.470 -0.144 0.000 0.271 342 S C 0.905 175.462 174.600 -0.071 0.000 1.305 342 S CA -0.698 57.475 58.200 -0.045 0.000 1.022 342 S CB 1.139 64.299 63.200 -0.067 0.000 0.940 342 S HN 0.394 nan 8.310 nan 0.000 0.525 343 V N 2.135 121.994 119.914 -0.092 0.000 2.252 343 V HA -0.225 3.809 4.120 -0.144 0.000 0.249 343 V C 2.696 178.723 176.094 -0.111 0.000 1.056 343 V CA 2.199 64.409 62.300 -0.149 0.000 1.022 343 V CB -1.531 30.180 31.823 -0.188 0.000 0.641 343 V HN 0.920 nan 8.190 nan 0.000 0.445 344 V N -0.969 118.908 119.914 -0.062 0.000 2.392 344 V HA -0.248 3.786 4.120 -0.144 0.000 0.249 344 V C 2.382 178.393 176.094 -0.139 0.000 1.059 344 V CA 2.288 64.541 62.300 -0.078 0.000 1.051 344 V CB -1.031 30.756 31.823 -0.061 0.000 0.658 344 V HN 0.468 nan 8.190 nan 0.000 0.455 345 L N -0.043 121.078 121.223 -0.170 0.000 2.093 345 L HA -0.001 4.253 4.340 -0.144 0.000 0.208 345 L C 2.291 178.989 176.870 -0.288 0.000 1.085 345 L CA 1.773 56.459 54.840 -0.257 0.000 0.755 345 L CB -0.649 41.202 42.059 -0.346 0.000 0.904 345 L HN 0.289 nan 8.230 nan 0.000 0.435 346 L N -1.199 119.891 121.223 -0.221 0.000 2.083 346 L HA -0.223 4.031 4.340 -0.144 0.000 0.209 346 L C 2.450 179.173 176.870 -0.245 0.000 1.083 346 L CA 1.236 55.924 54.840 -0.254 0.000 0.752 346 L CB -0.505 41.442 42.059 -0.187 0.000 0.899 346 L HN 0.287 nan 8.230 nan 0.000 0.433 347 L N -1.017 120.097 121.223 -0.181 0.000 2.201 347 L HA -0.152 4.102 4.340 -0.144 0.000 0.212 347 L C 2.742 179.519 176.870 -0.156 0.000 1.105 347 L CA 0.931 55.690 54.840 -0.135 0.000 0.775 347 L CB -0.389 41.613 42.059 -0.095 0.000 0.913 347 L HN 0.170 nan 8.230 nan 0.000 0.440 348 R N -0.006 120.372 120.500 -0.203 0.000 2.066 348 R HA -0.095 4.159 4.340 -0.144 0.000 0.232 348 R C 2.311 178.433 176.300 -0.296 0.000 1.131 348 R CA 1.197 57.167 56.100 -0.216 0.000 0.955 348 R CB -0.345 29.819 30.300 -0.228 0.000 0.851 348 R HN 0.268 nan 8.270 nan 0.000 0.432 349 L N 0.138 121.085 121.223 -0.460 0.000 2.012 349 L HA -0.217 4.037 4.340 -0.144 0.000 0.210 349 L C 2.711 179.349 176.870 -0.385 0.000 1.073 349 L CA 1.478 55.856 54.840 -0.771 0.000 0.748 349 L CB -0.766 40.641 42.059 -1.087 0.000 0.891 349 L HN 0.275 nan 8.230 nan 0.000 0.431 350 A N 0.047 122.773 122.820 -0.156 0.000 1.908 350 A HA -0.266 3.968 4.320 -0.144 0.000 0.218 350 A C 2.542 180.127 177.584 0.002 0.000 1.181 350 A CA 2.365 54.440 52.037 0.063 0.000 0.627 350 A CB -0.608 18.437 19.000 0.076 0.000 0.818 350 A HN 0.242 nan 8.150 nan 0.000 0.445 351 K N -0.819 119.549 120.400 -0.054 0.000 2.148 351 K HA -0.093 4.141 4.320 -0.144 0.000 0.204 351 K C 2.186 178.765 176.600 -0.034 0.000 1.050 351 K CA 2.032 58.297 56.287 -0.037 0.000 0.942 351 K CB -1.140 31.328 32.500 -0.053 0.000 0.724 351 K HN 0.731 nan 8.250 nan 0.000 0.446 352 T N -0.344 114.175 114.554 -0.058 0.000 2.821 352 T HA -0.054 4.210 4.350 -0.144 0.000 0.267 352 T C 1.421 176.182 174.700 0.101 0.000 1.046 352 T CA 1.489 63.595 62.100 0.011 0.000 1.139 352 T CB -0.443 68.422 68.868 -0.006 0.000 0.871 352 T HN 0.525 nan 8.240 nan 0.000 0.454 353 Y N 1.949 122.215 120.300 -0.057 0.000 2.184 353 Y HA -0.037 4.426 4.550 -0.144 0.000 0.290 353 Y C 2.519 178.280 175.900 -0.233 0.000 1.129 353 Y CA 1.457 59.467 58.100 -0.150 0.000 1.144 353 Y CB -0.295 37.847 38.460 -0.530 0.000 0.995 353 Y HN 0.260 nan 8.280 nan 0.000 0.513 354 E N -0.980 119.099 120.200 -0.202 0.000 2.085 354 E HA -0.207 4.056 4.350 -0.144 0.000 0.194 354 E C 1.885 178.359 176.600 -0.210 0.000 0.994 354 E CA 1.944 58.197 56.400 -0.245 0.000 0.801 354 E CB -0.208 29.478 29.700 -0.022 0.000 0.743 354 E HN 0.445 nan 8.360 nan 0.000 0.453 355 T N 0.054 114.545 114.554 -0.106 0.000 2.788 355 T HA -0.112 4.152 4.350 -0.144 0.000 0.268 355 T C 1.796 176.440 174.700 -0.092 0.000 1.044 355 T CA 1.682 63.745 62.100 -0.060 0.000 1.139 355 T CB -0.355 68.501 68.868 -0.019 0.000 0.867 355 T HN 0.271 nan 8.240 nan 0.000 0.454 356 T N 2.524 117.000 114.554 -0.130 0.000 2.737 356 T HA 0.063 4.327 4.350 -0.144 0.000 0.265 356 T C 1.993 176.568 174.700 -0.208 0.000 1.038 356 T CA 0.825 62.854 62.100 -0.117 0.000 1.144 356 T CB -0.405 68.421 68.868 -0.071 0.000 0.866 356 T HN 0.254 nan 8.240 nan 0.000 0.434 357 L N 0.842 121.788 121.223 -0.462 0.000 2.017 357 L HA -0.094 4.160 4.340 -0.144 0.000 0.208 357 L C 2.938 179.653 176.870 -0.259 0.000 1.073 357 L CA 1.201 55.712 54.840 -0.548 0.000 0.745 357 L CB -0.655 40.719 42.059 -1.142 0.000 0.894 357 L HN 0.166 nan 8.230 nan 0.000 0.432 358 E N 0.963 121.063 120.200 -0.167 0.000 2.114 358 E HA -0.272 3.992 4.350 -0.144 0.000 0.199 358 E C 2.051 178.676 176.600 0.042 0.000 1.008 358 E CA 2.073 58.511 56.400 0.064 0.000 0.810 358 E CB -0.101 29.644 29.700 0.075 0.000 0.739 358 E HN 0.640 nan 8.360 nan 0.000 0.456 359 K N -0.437 119.965 120.400 0.003 0.000 2.063 359 K HA 0.030 4.264 4.320 -0.144 0.000 0.204 359 K C 2.539 179.160 176.600 0.034 0.000 1.039 359 K CA 1.177 57.477 56.287 0.021 0.000 0.957 359 K CB -0.799 31.709 32.500 0.015 0.000 0.764 359 K HN -0.019 nan 8.250 nan 0.000 0.447 360 c N 1.621 120.243 118.600 0.036 0.000 2.385 360 c HA -0.186 4.297 4.570 -0.144 0.000 0.275 360 c C 2.910 177.067 174.090 0.113 0.000 1.207 360 c CA 0.923 57.306 56.329 0.092 0.000 1.760 360 c CB -1.168 41.453 42.510 0.186 0.000 2.051 360 c HN 0.706 nan 8.230 nan 0.000 0.467 361 c N 0.633 119.287 118.600 0.089 0.000 2.419 361 c HA -0.024 4.460 4.570 -0.144 0.000 0.283 361 c C 2.881 177.021 174.090 0.083 0.000 1.373 361 c CA 1.120 57.510 56.329 0.102 0.000 1.781 361 c CB -1.654 40.920 42.510 0.108 0.000 1.886 361 c HN 0.741 nan 8.230 nan 0.000 0.520 362 A N 0.209 123.069 122.820 0.066 0.000 2.030 362 A HA 0.504 4.738 4.320 -0.144 0.000 0.215 362 A C 1.467 179.075 177.584 0.042 0.000 1.164 362 A CA 0.880 52.947 52.037 0.049 0.000 0.697 362 A CB -0.487 18.538 19.000 0.042 0.000 0.827 362 A HN 0.517 nan 8.150 nan 0.000 0.457 363 A N -0.640 122.207 122.820 0.045 0.000 2.433 363 A HA 0.484 4.718 4.320 -0.144 0.000 0.250 363 A C 1.734 179.336 177.584 0.029 0.000 1.113 363 A CA 0.409 52.466 52.037 0.033 0.000 0.794 363 A CB -0.391 18.627 19.000 0.031 0.000 1.067 363 A HN 1.185 nan 8.150 nan 0.000 0.510 364 A N 0.079 122.910 122.820 0.018 0.000 1.830 364 A HA 0.235 4.469 4.320 -0.144 0.000 0.214 364 A C 1.354 178.946 177.584 0.013 0.000 1.218 364 A CA 2.073 54.117 52.037 0.012 0.000 0.628 364 A CB -1.411 17.591 19.000 0.004 0.000 0.860 364 A HN 1.479 nan 8.150 nan 0.000 0.454 365 D N -0.162 120.239 120.400 0.002 0.000 2.479 365 D HA 0.501 5.055 4.640 -0.144 0.000 0.218 365 D C -1.614 174.678 176.300 -0.012 0.000 1.131 365 D CA -1.102 52.896 54.000 -0.004 0.000 0.916 365 D CB 0.136 40.922 40.800 -0.024 0.000 1.022 365 D HN 0.241 nan 8.370 nan 0.000 0.515 366 P HA -0.254 nan 4.420 nan 0.000 0.215 366 P C 1.628 178.744 177.300 -0.306 0.000 1.163 366 P CA 1.062 64.196 63.100 0.057 0.000 0.894 366 P CB 0.112 31.956 31.700 0.240 0.000 0.791 367 H N -0.079 118.702 119.070 -0.481 0.000 2.357 367 H HA -0.180 4.291 4.556 -0.143 0.000 0.296 367 H C 1.991 176.918 175.328 -0.667 0.000 1.108 367 H CA 2.245 57.784 56.048 -0.849 0.000 1.273 367 H CB -0.414 29.145 29.762 -0.339 0.000 1.367 367 H HN 0.048 nan 8.280 nan 0.000 0.498 368 E N -0.243 119.875 120.200 -0.137 0.000 2.072 368 E HA -0.138 4.125 4.350 -0.144 0.000 0.191 368 E C 2.651 179.169 176.600 -0.137 0.000 0.985 368 E CA 0.969 57.321 56.400 -0.081 0.000 0.801 368 E CB -1.157 28.514 29.700 -0.049 0.000 0.750 368 E HN 0.653 nan 8.360 nan 0.000 0.452 369 c N 0.833 119.342 118.600 -0.152 0.000 2.453 369 c HA -0.058 4.426 4.570 -0.144 0.000 0.277 369 c C 2.467 176.534 174.090 -0.038 0.000 1.262 369 c CA 1.201 57.489 56.329 -0.069 0.000 1.718 369 c CB -1.539 40.966 42.510 -0.008 0.000 2.031 369 c HN 0.831 nan 8.230 nan 0.000 0.480 370 Y N 0.474 120.743 120.300 -0.052 0.000 2.537 370 Y HA 0.642 5.106 4.550 -0.143 0.000 0.303 370 Y C 1.566 177.409 175.900 -0.095 0.000 1.176 370 Y CA -0.002 58.055 58.100 -0.072 0.000 1.273 370 Y CB -1.281 37.118 38.460 -0.102 0.000 1.110 370 Y HN 0.189 nan 8.280 nan 0.000 0.518 371 A N 0.742 123.468 122.820 -0.156 0.000 2.072 371 A HA 0.086 4.320 4.320 -0.144 0.000 0.216 371 A C 1.659 179.207 177.584 -0.059 0.000 1.156 371 A CA 0.505 52.455 52.037 -0.145 0.000 0.701 371 A CB -0.060 18.853 19.000 -0.145 0.000 0.816 371 A HN 0.187 nan 8.150 nan 0.000 0.458 372 K N 0.135 120.528 120.400 -0.012 0.000 2.681 372 K HA 0.221 4.454 4.320 -0.144 0.000 0.211 372 K C 1.034 177.664 176.600 0.050 0.000 1.075 372 K CA 0.014 56.307 56.287 0.010 0.000 1.141 372 K CB 0.312 32.822 32.500 0.016 0.000 0.896 372 K HN 0.236 nan 8.250 nan 0.000 0.470 373 V N 0.153 120.111 119.914 0.074 0.000 2.515 373 V HA -0.163 3.871 4.120 -0.144 0.000 0.250 373 V C 1.226 177.280 176.094 -0.067 0.000 1.058 373 V CA 1.514 63.867 62.300 0.088 0.000 1.064 373 V CB -0.392 31.546 31.823 0.193 0.000 0.675 373 V HN 0.176 nan 8.190 nan 0.000 0.461 374 F N 0.752 120.464 119.950 -0.396 0.000 2.699 374 F HA 0.064 4.506 4.527 -0.142 0.000 0.298 374 F C 1.823 177.543 175.800 -0.133 0.000 1.154 374 F CA 1.012 58.729 58.000 -0.472 0.000 1.457 374 F CB -0.812 38.058 39.000 -0.216 0.000 1.106 374 F HN 0.360 nan 8.300 nan 0.000 0.585 375 D N -0.920 119.551 120.400 0.118 0.000 2.346 375 D HA -0.043 4.510 4.640 -0.144 0.000 0.206 375 D C 2.028 178.409 176.300 0.135 0.000 1.001 375 D CA 0.415 54.486 54.000 0.118 0.000 0.871 375 D CB 0.100 40.950 40.800 0.084 0.000 0.943 375 D HN 0.071 nan 8.370 nan 0.000 0.518 376 E N -0.264 120.036 120.200 0.168 0.000 2.230 376 E HA -0.037 4.227 4.350 -0.144 0.000 0.192 376 E C 1.146 177.961 176.600 0.359 0.000 0.987 376 E CA 0.454 56.993 56.400 0.231 0.000 0.841 376 E CB 0.053 29.913 29.700 0.266 0.000 0.783 376 E HN 0.333 nan 8.360 nan 0.000 0.481 377 F N 1.492 121.457 119.950 0.025 0.000 2.367 377 F HA -0.033 4.410 4.527 -0.140 0.000 0.298 377 F C 2.661 178.434 175.800 -0.045 0.000 1.094 377 F CA 0.788 58.759 58.000 -0.049 0.000 1.409 377 F CB -1.265 37.673 39.000 -0.103 0.000 1.064 377 F HN -0.004 nan 8.300 nan 0.000 0.528 378 K N 0.971 121.493 120.400 0.204 0.000 2.015 378 K HA -0.196 4.038 4.320 -0.144 0.000 0.216 378 K C -0.121 176.506 176.600 0.045 0.000 1.052 378 K CA 2.207 58.560 56.287 0.110 0.000 0.937 378 K CB -2.555 30.005 32.500 0.100 0.000 0.719 378 K HN 0.209 nan 8.250 nan 0.000 0.446 379 P HA -0.080 nan 4.420 nan 0.000 0.215 379 P C 1.414 178.689 177.300 -0.042 0.000 1.153 379 P CA 0.836 63.937 63.100 0.002 0.000 0.853 379 P CB -0.028 31.680 31.700 0.013 0.000 0.788 380 L N -1.461 119.725 121.223 -0.061 0.000 2.131 380 L HA -0.124 4.130 4.340 -0.144 0.000 0.210 380 L C 2.163 178.910 176.870 -0.206 0.000 1.092 380 L CA 1.178 55.933 54.840 -0.141 0.000 0.759 380 L CB -0.730 41.206 42.059 -0.204 0.000 0.903 380 L HN -0.097 nan 8.230 nan 0.000 0.435 381 V N -0.830 118.964 119.914 -0.200 0.000 2.725 381 V HA -0.126 3.908 4.120 -0.144 0.000 0.247 381 V C 2.192 178.168 176.094 -0.197 0.000 1.058 381 V CA 1.157 63.279 62.300 -0.298 0.000 1.080 381 V CB -0.126 31.531 31.823 -0.277 0.000 0.713 381 V HN 0.400 nan 8.190 nan 0.000 0.465 382 E N -0.214 119.922 120.200 -0.107 0.000 2.112 382 E HA -0.171 4.093 4.350 -0.144 0.000 0.190 382 E C 2.226 178.786 176.600 -0.068 0.000 0.979 382 E CA 0.663 57.023 56.400 -0.067 0.000 0.814 382 E CB -0.052 29.631 29.700 -0.029 0.000 0.762 382 E HN 0.495 nan 8.360 nan 0.000 0.460 383 E N 1.003 121.159 120.200 -0.074 0.000 2.048 383 E HA -0.183 4.080 4.350 -0.144 0.000 0.202 383 E C -0.705 175.855 176.600 -0.067 0.000 1.021 383 E CA 1.726 58.088 56.400 -0.062 0.000 0.825 383 E CB -0.947 28.713 29.700 -0.067 0.000 0.756 383 E HN 0.144 nan 8.360 nan 0.000 0.454 384 P HA -0.125 nan 4.420 nan 0.000 0.215 384 P C 1.428 178.684 177.300 -0.073 0.000 1.153 384 P CA 1.674 64.719 63.100 -0.093 0.000 0.853 384 P CB -0.143 31.472 31.700 -0.141 0.000 0.788 385 Q N -0.882 118.869 119.800 -0.082 0.000 2.061 385 Q HA -0.171 4.083 4.340 -0.144 0.000 0.204 385 Q C 1.984 177.966 176.000 -0.030 0.000 0.984 385 Q CA 1.283 57.054 55.803 -0.053 0.000 0.846 385 Q CB -0.628 28.081 28.738 -0.048 0.000 0.902 385 Q HN 0.319 nan 8.270 nan 0.000 0.421 386 N N 0.702 119.386 118.700 -0.027 0.000 2.120 386 N HA -0.142 4.512 4.740 -0.144 0.000 0.188 386 N C 1.809 177.315 175.510 -0.006 0.000 1.024 386 N CA 0.807 53.849 53.050 -0.013 0.000 0.852 386 N CB -0.252 38.228 38.487 -0.011 0.000 1.003 386 N HN 0.116 nan 8.380 nan 0.000 0.424 387 L N 1.587 122.804 121.223 -0.011 0.000 2.017 387 L HA -0.070 4.184 4.340 -0.144 0.000 0.208 387 L C 2.042 178.918 176.870 0.011 0.000 1.073 387 L CA 1.219 56.061 54.840 0.003 0.000 0.745 387 L CB -0.457 41.601 42.059 -0.002 0.000 0.894 387 L HN 0.062 nan 8.230 nan 0.000 0.432 388 I N -0.749 119.817 120.570 -0.006 0.000 2.179 388 I HA -0.316 3.768 4.170 -0.144 0.000 0.242 388 I C 2.702 178.814 176.117 -0.008 0.000 1.088 388 I CA 1.449 62.742 61.300 -0.011 0.000 1.357 388 I CB -1.458 36.526 38.000 -0.028 0.000 1.051 388 I HN 0.253 nan 8.210 nan 0.000 0.409 389 K N 0.700 121.097 120.400 -0.004 0.000 2.032 389 K HA -0.212 4.022 4.320 -0.144 0.000 0.209 389 K C 2.378 178.984 176.600 0.010 0.000 1.048 389 K CA 1.833 58.121 56.287 0.001 0.000 0.927 389 K CB -0.672 31.830 32.500 0.003 0.000 0.712 389 K HN 0.510 nan 8.250 nan 0.000 0.441 390 Q N 0.428 120.240 119.800 0.019 0.000 1.975 390 Q HA -0.073 4.181 4.340 -0.144 0.000 0.205 390 Q C 2.366 178.395 176.000 0.048 0.000 0.990 390 Q CA 1.964 57.786 55.803 0.033 0.000 0.845 390 Q CB -0.970 27.791 28.738 0.039 0.000 0.913 390 Q HN 0.720 nan 8.270 nan 0.000 0.420 391 N N -0.380 118.358 118.700 0.064 0.000 2.348 391 N HA -0.100 4.553 4.740 -0.144 0.000 0.185 391 N C 1.710 177.204 175.510 -0.026 0.000 1.019 391 N CA 1.374 54.483 53.050 0.097 0.000 0.880 391 N CB -0.365 38.221 38.487 0.165 0.000 0.965 391 N HN 0.376 nan 8.380 nan 0.000 0.437 392 c N 0.709 119.287 118.600 -0.036 0.000 2.485 392 c HA 0.048 4.532 4.570 -0.144 0.000 0.277 392 c C 2.915 177.011 174.090 0.010 0.000 1.376 392 c CA 0.851 57.145 56.329 -0.058 0.000 1.759 392 c CB -0.800 41.676 42.510 -0.056 0.000 1.970 392 c HN 0.611 nan 8.230 nan 0.000 0.509 393 E N 0.553 120.760 120.200 0.012 0.000 2.015 393 E HA -0.211 4.053 4.350 -0.144 0.000 0.191 393 E C 1.813 178.420 176.600 0.013 0.000 0.991 393 E CA 1.505 57.917 56.400 0.020 0.000 0.802 393 E CB -0.887 28.826 29.700 0.022 0.000 0.759 393 E HN 0.456 nan 8.360 nan 0.000 0.447 394 L N -0.446 120.791 121.223 0.023 0.000 2.013 394 L HA -0.085 4.169 4.340 -0.144 0.000 0.212 394 L C 2.447 179.283 176.870 -0.057 0.000 1.073 394 L CA 2.495 57.359 54.840 0.040 0.000 0.753 394 L CB -0.694 41.460 42.059 0.159 0.000 0.890 394 L HN 0.510 nan 8.230 nan 0.000 0.432 395 F N 0.601 120.308 119.950 -0.406 0.000 2.069 395 F HA -0.260 4.183 4.527 -0.141 0.000 0.298 395 F C 2.386 178.040 175.800 -0.242 0.000 1.113 395 F CA 2.175 59.813 58.000 -0.603 0.000 1.214 395 F CB -0.316 38.197 39.000 -0.812 0.000 0.978 395 F HN 0.216 nan 8.300 nan 0.000 0.474 396 E N -0.552 119.631 120.200 -0.028 0.000 2.209 396 E HA -0.292 3.972 4.350 -0.144 0.000 0.196 396 E C 2.107 178.637 176.600 -0.115 0.000 0.993 396 E CA 1.237 57.610 56.400 -0.045 0.000 0.819 396 E CB -0.274 29.455 29.700 0.048 0.000 0.745 396 E HN 0.617 nan 8.360 nan 0.000 0.477 397 Q N 0.186 119.927 119.800 -0.099 0.000 2.250 397 Q HA -0.037 4.217 4.340 -0.144 0.000 0.200 397 Q C 1.920 177.869 176.000 -0.086 0.000 0.941 397 Q CA 0.505 56.269 55.803 -0.066 0.000 0.872 397 Q CB 0.357 29.081 28.738 -0.023 0.000 0.965 397 Q HN 0.281 nan 8.270 nan 0.000 0.480 398 L N -0.743 120.400 121.223 -0.133 0.000 2.408 398 L HA 0.335 4.589 4.340 -0.144 0.000 0.215 398 L C 0.919 177.692 176.870 -0.162 0.000 1.081 398 L CA 0.352 55.133 54.840 -0.097 0.000 0.840 398 L CB 0.323 42.382 42.059 0.000 0.000 1.002 398 L HN 0.332 nan 8.230 nan 0.000 0.468 399 G N 0.818 109.382 108.800 -0.393 0.000 2.699 399 G HA2 -0.248 3.626 3.960 -0.144 0.000 0.686 399 G HA3 -0.248 3.626 3.960 -0.144 0.000 0.686 399 G C 0.262 174.927 174.900 -0.391 0.000 1.301 399 G CA 0.082 44.944 45.100 -0.396 0.000 0.816 399 G HN 0.253 nan 8.290 nan 0.000 0.595 400 E N -0.471 119.592 120.200 -0.228 0.000 2.038 400 E HA -0.216 4.048 4.350 -0.144 0.000 0.195 400 E C 2.005 178.721 176.600 0.194 0.000 1.000 400 E CA 1.974 58.434 56.400 0.101 0.000 0.803 400 E CB -0.181 29.666 29.700 0.245 0.000 0.750 400 E HN 0.689 nan 8.360 nan 0.000 0.448 401 Y N 1.529 121.856 120.300 0.046 0.000 2.053 401 Y HA -0.292 4.171 4.550 -0.145 0.000 0.277 401 Y C 2.587 178.514 175.900 0.045 0.000 1.159 401 Y CA 2.435 60.560 58.100 0.043 0.000 1.125 401 Y CB -0.633 37.839 38.460 0.020 0.000 0.969 401 Y HN -0.133 nan 8.280 nan 0.000 0.492 402 K N -0.215 120.156 120.400 -0.049 0.000 2.032 402 K HA -0.209 4.025 4.320 -0.144 0.000 0.209 402 K C 1.971 178.537 176.600 -0.056 0.000 1.048 402 K CA 1.416 57.628 56.287 -0.125 0.000 0.927 402 K CB -1.509 30.992 32.500 0.001 0.000 0.712 402 K HN 0.543 nan 8.250 nan 0.000 0.441 403 F N 2.209 122.094 119.950 -0.109 0.000 2.161 403 F HA -0.228 4.210 4.527 -0.148 0.000 0.300 403 F C 2.317 178.099 175.800 -0.031 0.000 1.089 403 F CA 1.693 59.672 58.000 -0.034 0.000 1.282 403 F CB -0.376 38.655 39.000 0.052 0.000 1.010 403 F HN 0.221 nan 8.300 nan 0.000 0.485 404 Q N -0.263 119.490 119.800 -0.077 0.000 2.084 404 Q HA -0.207 4.047 4.340 -0.144 0.000 0.202 404 Q C 1.976 177.824 176.000 -0.253 0.000 0.978 404 Q CA 1.455 57.148 55.803 -0.183 0.000 0.844 404 Q CB -0.379 28.309 28.738 -0.084 0.000 0.898 404 Q HN 0.416 nan 8.270 nan 0.000 0.426 405 N N 0.991 119.516 118.700 -0.291 0.000 2.069 405 N HA -0.167 4.486 4.740 -0.144 0.000 0.191 405 N C 1.757 177.151 175.510 -0.192 0.000 1.031 405 N CA 1.490 54.381 53.050 -0.264 0.000 0.852 405 N CB -0.538 37.757 38.487 -0.321 0.000 1.018 405 N HN 0.252 nan 8.380 nan 0.000 0.423 406 A N 1.487 124.190 122.820 -0.194 0.000 1.892 406 A HA -0.135 4.099 4.320 -0.144 0.000 0.218 406 A C 2.411 179.886 177.584 -0.182 0.000 1.188 406 A CA 1.291 53.229 52.037 -0.163 0.000 0.631 406 A CB -0.935 17.976 19.000 -0.149 0.000 0.822 406 A HN 0.267 nan 8.150 nan 0.000 0.447 407 L N -0.972 120.078 121.223 -0.288 0.000 2.141 407 L HA -0.145 4.109 4.340 -0.144 0.000 0.209 407 L C 2.575 179.413 176.870 -0.052 0.000 1.094 407 L CA 0.731 55.462 54.840 -0.183 0.000 0.763 407 L CB -0.498 41.369 42.059 -0.321 0.000 0.908 407 L HN 0.380 nan 8.230 nan 0.000 0.437 408 L N -0.817 120.339 121.223 -0.112 0.000 1.989 408 L HA -0.227 4.027 4.340 -0.144 0.000 0.211 408 L C 2.536 179.389 176.870 -0.029 0.000 1.071 408 L CA 1.183 55.980 54.840 -0.072 0.000 0.749 408 L CB -0.365 41.635 42.059 -0.099 0.000 0.890 408 L HN 0.046 nan 8.230 nan 0.000 0.431 409 V N -0.530 119.355 119.914 -0.047 0.000 2.295 409 V HA -0.273 3.761 4.120 -0.144 0.000 0.246 409 V C 2.667 178.741 176.094 -0.033 0.000 1.049 409 V CA 1.593 63.873 62.300 -0.034 0.000 1.024 409 V CB -0.717 31.084 31.823 -0.037 0.000 0.648 409 V HN 0.416 nan 8.190 nan 0.000 0.447 410 R N -0.951 119.526 120.500 -0.038 0.000 2.091 410 R HA -0.183 4.070 4.340 -0.144 0.000 0.238 410 R C 2.207 178.430 176.300 -0.129 0.000 1.136 410 R CA 1.927 57.980 56.100 -0.077 0.000 0.959 410 R CB -0.772 29.481 30.300 -0.077 0.000 0.856 410 R HN 0.549 nan 8.270 nan 0.000 0.437 411 Y N 0.652 120.889 120.300 -0.104 0.000 2.337 411 Y HA -0.096 4.373 4.550 -0.136 0.000 0.293 411 Y C 2.606 178.450 175.900 -0.092 0.000 1.123 411 Y CA 1.377 59.419 58.100 -0.097 0.000 1.201 411 Y CB -0.216 38.164 38.460 -0.132 0.000 1.011 411 Y HN 0.041 nan 8.280 nan 0.000 0.545 412 T N -0.170 114.398 114.554 0.024 0.000 2.821 412 T HA -0.159 4.105 4.350 -0.144 0.000 0.267 412 T C 1.786 176.420 174.700 -0.111 0.000 1.046 412 T CA 1.381 63.455 62.100 -0.044 0.000 1.139 412 T CB -0.119 68.722 68.868 -0.044 0.000 0.871 412 T HN 0.279 nan 8.240 nan 0.000 0.454 413 K N 0.986 121.327 120.400 -0.098 0.000 2.097 413 K HA -0.042 4.192 4.320 -0.144 0.000 0.205 413 K C 2.366 178.887 176.600 -0.131 0.000 1.050 413 K CA 1.023 57.242 56.287 -0.112 0.000 0.938 413 K CB -0.056 32.397 32.500 -0.078 0.000 0.718 413 K HN 0.300 nan 8.250 nan 0.000 0.442 414 K N 0.568 120.880 120.400 -0.147 0.000 2.001 414 K HA -0.078 4.156 4.320 -0.144 0.000 0.208 414 K C 1.040 177.582 176.600 -0.096 0.000 1.048 414 K CA 1.327 57.528 56.287 -0.143 0.000 0.932 414 K CB 0.200 32.563 32.500 -0.228 0.000 0.715 414 K HN 0.061 nan 8.250 nan 0.000 0.437 415 V N -1.952 117.917 119.914 -0.075 0.000 2.384 415 V HA 0.256 4.289 4.120 -0.144 0.000 0.257 415 V C -2.636 173.390 176.094 -0.113 0.000 0.969 415 V CA -1.645 60.621 62.300 -0.055 0.000 0.910 415 V CB 1.100 32.945 31.823 0.037 0.000 1.150 415 V HN -0.067 nan 8.190 nan 0.000 0.481 416 P HA -0.163 nan 4.420 nan 0.000 0.217 416 P C 1.490 178.647 177.300 -0.238 0.000 1.148 416 P CA 1.635 64.457 63.100 -0.465 0.000 0.828 416 P CB 0.254 31.143 31.700 -1.351 0.000 0.783 417 Q N -0.729 119.011 119.800 -0.100 0.000 2.124 417 Q HA -0.058 4.196 4.340 -0.144 0.000 0.202 417 Q C 0.652 176.685 176.000 0.054 0.000 0.977 417 Q CA 0.597 56.426 55.803 0.043 0.000 0.850 417 Q CB -1.409 27.387 28.738 0.096 0.000 0.901 417 Q HN 0.094 nan 8.270 nan 0.000 0.429 418 V N 2.509 122.457 119.914 0.058 0.000 2.752 418 V HA -0.089 3.945 4.120 -0.144 0.000 0.306 418 V C 0.563 176.679 176.094 0.037 0.000 1.099 418 V CA 0.200 62.551 62.300 0.085 0.000 1.240 418 V CB 0.220 32.091 31.823 0.080 0.000 0.887 418 V HN 0.426 nan 8.190 nan 0.000 0.499 419 S N 3.254 118.976 115.700 0.036 0.000 2.552 419 S HA -0.001 4.382 4.470 -0.144 0.000 0.289 419 S C 1.295 175.887 174.600 -0.014 0.000 1.304 419 S CA 0.123 58.327 58.200 0.007 0.000 1.063 419 S CB 0.839 64.040 63.200 0.001 0.000 0.848 419 S HN 0.808 nan 8.310 nan 0.000 0.499 420 T N 4.373 118.909 114.554 -0.030 0.000 2.685 420 T HA -0.076 4.188 4.350 -0.144 0.000 0.268 420 T C -0.893 173.778 174.700 -0.049 0.000 1.034 420 T CA 1.990 64.060 62.100 -0.049 0.000 1.149 420 T CB -1.563 67.261 68.868 -0.073 0.000 0.860 420 T HN 0.610 nan 8.240 nan 0.000 0.449 421 P HA -0.015 nan 4.420 nan 0.000 0.216 421 P C 1.662 178.938 177.300 -0.041 0.000 1.153 421 P CA 1.119 64.195 63.100 -0.041 0.000 0.848 421 P CB -0.235 31.445 31.700 -0.034 0.000 0.787 422 T N -0.295 114.239 114.554 -0.034 0.000 2.788 422 T HA -0.082 4.182 4.350 -0.144 0.000 0.268 422 T C 1.739 176.399 174.700 -0.067 0.000 1.044 422 T CA 1.005 63.082 62.100 -0.039 0.000 1.139 422 T CB -0.866 67.996 68.868 -0.011 0.000 0.867 422 T HN 0.039 nan 8.240 nan 0.000 0.454 423 L N 0.543 121.731 121.223 -0.059 0.000 2.046 423 L HA -0.085 4.169 4.340 -0.144 0.000 0.208 423 L C 2.651 179.459 176.870 -0.103 0.000 1.077 423 L CA 0.927 55.718 54.840 -0.081 0.000 0.747 423 L CB -0.599 41.430 42.059 -0.051 0.000 0.896 423 L HN 0.153 nan 8.230 nan 0.000 0.432 424 V N 0.018 119.884 119.914 -0.080 0.000 2.261 424 V HA -0.300 3.733 4.120 -0.144 0.000 0.246 424 V C 2.509 178.553 176.094 -0.083 0.000 1.047 424 V CA 2.097 64.352 62.300 -0.076 0.000 1.015 424 V CB -0.416 31.374 31.823 -0.055 0.000 0.642 424 V HN 0.476 nan 8.190 nan 0.000 0.446 425 E N 0.411 120.567 120.200 -0.075 0.000 2.038 425 E HA -0.206 4.058 4.350 -0.144 0.000 0.195 425 E C 2.016 178.547 176.600 -0.115 0.000 1.000 425 E CA 2.174 58.531 56.400 -0.073 0.000 0.803 425 E CB -0.499 29.168 29.700 -0.056 0.000 0.750 425 E HN 0.316 nan 8.360 nan 0.000 0.448 426 V N 0.342 120.159 119.914 -0.161 0.000 2.343 426 V HA -0.245 3.789 4.120 -0.144 0.000 0.247 426 V C 2.438 178.342 176.094 -0.317 0.000 1.051 426 V CA 1.961 64.111 62.300 -0.251 0.000 1.036 426 V CB -0.656 30.977 31.823 -0.317 0.000 0.654 426 V HN 0.268 nan 8.190 nan 0.000 0.451 427 S N -0.396 115.128 115.700 -0.294 0.000 2.368 427 S HA -0.169 4.215 4.470 -0.144 0.000 0.225 427 S C 2.078 176.551 174.600 -0.212 0.000 1.030 427 S CA 1.383 59.401 58.200 -0.303 0.000 0.999 427 S CB -0.296 62.768 63.200 -0.226 0.000 0.844 427 S HN 0.548 nan 8.310 nan 0.000 0.459 428 R N 1.503 121.920 120.500 -0.138 0.000 2.081 428 R HA -0.015 4.239 4.340 -0.144 0.000 0.235 428 R C 1.927 178.189 176.300 -0.064 0.000 1.131 428 R CA 1.384 57.443 56.100 -0.068 0.000 0.960 428 R CB -0.494 29.790 30.300 -0.027 0.000 0.856 428 R HN 0.343 nan 8.270 nan 0.000 0.436 429 N N 1.028 119.663 118.700 -0.109 0.000 2.166 429 N HA -0.114 4.540 4.740 -0.144 0.000 0.186 429 N C 1.918 177.289 175.510 -0.231 0.000 1.019 429 N CA 1.051 54.025 53.050 -0.128 0.000 0.856 429 N CB -0.235 38.161 38.487 -0.152 0.000 0.993 429 N HN 0.201 nan 8.380 nan 0.000 0.426 430 L N 0.182 121.240 121.223 -0.275 0.000 2.131 430 L HA -0.078 4.175 4.340 -0.144 0.000 0.210 430 L C 2.366 179.157 176.870 -0.131 0.000 1.092 430 L CA 1.234 55.894 54.840 -0.301 0.000 0.759 430 L CB -0.792 41.050 42.059 -0.362 0.000 0.903 430 L HN 0.218 nan 8.230 nan 0.000 0.435 431 G N -0.146 108.629 108.800 -0.042 0.000 2.408 431 G HA2 -0.220 3.654 3.960 -0.144 0.000 0.217 431 G HA3 -0.220 3.654 3.960 -0.144 0.000 0.217 431 G C 1.645 176.688 174.900 0.239 0.000 1.150 431 G CA 0.303 45.529 45.100 0.210 0.000 0.776 431 G HN 0.287 nan 8.290 nan 0.000 0.542 432 K N 0.090 120.558 120.400 0.114 0.000 2.281 432 K HA -0.029 4.204 4.320 -0.144 0.000 0.203 432 K C 2.433 179.126 176.600 0.154 0.000 1.046 432 K CA 0.726 57.105 56.287 0.152 0.000 0.938 432 K CB -0.137 32.465 32.500 0.170 0.000 0.737 432 K HN 0.239 nan 8.250 nan 0.000 0.458 433 V N 0.598 120.520 119.914 0.012 0.000 2.490 433 V HA -0.198 3.836 4.120 -0.144 0.000 0.250 433 V C 2.298 178.340 176.094 -0.088 0.000 1.061 433 V CA 2.136 64.457 62.300 0.034 0.000 1.064 433 V CB -0.780 30.925 31.823 -0.196 0.000 0.670 433 V HN 0.484 nan 8.190 nan 0.000 0.461 434 G N -0.539 108.102 108.800 -0.265 0.000 2.402 434 G HA2 -0.188 3.686 3.960 -0.144 0.000 0.216 434 G HA3 -0.188 3.686 3.960 -0.144 0.000 0.216 434 G C 1.805 176.021 174.900 -1.140 0.000 1.162 434 G CA 1.052 45.558 45.100 -0.990 0.000 0.777 434 G HN 0.536 nan 8.290 nan 0.000 0.539 435 S N -0.044 115.346 115.700 -0.517 0.000 2.368 435 S HA -0.080 4.303 4.470 -0.144 0.000 0.224 435 S C 2.295 176.866 174.600 -0.048 0.000 1.029 435 S CA 1.389 59.521 58.200 -0.113 0.000 0.988 435 S CB -0.110 63.184 63.200 0.156 0.000 0.838 435 S HN 0.357 nan 8.310 nan 0.000 0.462 436 K N 0.339 120.735 120.400 -0.006 0.000 2.155 436 K HA 0.013 4.247 4.320 -0.144 0.000 0.203 436 K C 1.969 178.582 176.600 0.022 0.000 1.052 436 K CA 1.288 57.592 56.287 0.029 0.000 0.948 436 K CB -0.794 31.716 32.500 0.016 0.000 0.728 436 K HN 0.668 nan 8.250 nan 0.000 0.448 437 c N -1.610 116.954 118.600 -0.059 0.000 2.464 437 c HA 0.270 4.753 4.570 -0.144 0.000 0.348 437 c C 2.651 176.722 174.090 -0.032 0.000 1.367 437 c CA -0.078 56.192 56.329 -0.097 0.000 2.012 437 c CB -0.785 41.639 42.510 -0.143 0.000 2.434 437 c HN 0.689 nan 8.230 nan 0.000 0.536 438 c N 2.019 120.528 118.600 -0.152 0.000 2.397 438 c HA -0.132 4.351 4.570 -0.144 0.000 0.286 438 c C 3.075 177.168 174.090 0.004 0.000 1.308 438 c CA 2.012 58.271 56.329 -0.117 0.000 1.805 438 c CB -1.602 40.754 42.510 -0.257 0.000 1.952 438 c HN 0.775 nan 8.230 nan 0.000 0.518 439 K N -0.003 120.431 120.400 0.056 0.000 2.057 439 K HA -0.079 4.155 4.320 -0.144 0.000 0.206 439 K C 0.730 177.367 176.600 0.061 0.000 1.050 439 K CA 1.264 57.585 56.287 0.057 0.000 0.935 439 K CB -0.907 31.613 32.500 0.033 0.000 0.715 439 K HN 0.728 nan 8.250 nan 0.000 0.439 440 H N 0.651 119.702 119.070 -0.031 0.000 2.983 440 H HA 0.161 4.633 4.556 -0.142 0.000 0.361 440 H C -2.054 173.263 175.328 -0.019 0.000 1.145 440 H CA -0.966 55.068 56.048 -0.024 0.000 1.404 440 H CB 0.315 30.061 29.762 -0.028 0.000 1.356 440 H HN 0.330 nan 8.280 nan 0.000 0.612 441 P HA 0.038 nan 4.420 nan 0.000 0.281 441 P C 0.283 177.618 177.300 0.058 0.000 1.249 441 P CA -0.403 62.732 63.100 0.057 0.000 0.810 441 P CB 1.256 32.976 31.700 0.033 0.000 1.008 442 E N 2.249 122.472 120.200 0.038 0.000 2.245 442 E HA -0.298 3.966 4.350 -0.144 0.000 0.217 442 E C 2.058 178.681 176.600 0.038 0.000 1.069 442 E CA 2.876 59.295 56.400 0.032 0.000 0.877 442 E CB -1.110 28.607 29.700 0.028 0.000 0.757 442 E HN 0.579 nan 8.360 nan 0.000 0.464 443 A N 0.144 122.989 122.820 0.043 0.000 1.883 443 A HA -0.241 3.993 4.320 -0.144 0.000 0.217 443 A C 1.847 179.459 177.584 0.046 0.000 1.186 443 A CA 2.035 54.100 52.037 0.047 0.000 0.624 443 A CB -0.302 18.718 19.000 0.035 0.000 0.822 443 A HN 0.178 nan 8.150 nan 0.000 0.444 444 K N -1.128 119.304 120.400 0.053 0.000 2.374 444 K HA 0.150 4.384 4.320 -0.144 0.000 0.196 444 K C 1.881 178.455 176.600 -0.043 0.000 1.023 444 K CA -0.144 56.163 56.287 0.033 0.000 1.103 444 K CB 0.191 32.764 32.500 0.121 0.000 0.848 444 K HN 0.363 nan 8.250 nan 0.000 0.528 445 R N 0.756 121.243 120.500 -0.021 0.000 2.073 445 R HA -0.034 4.220 4.340 -0.144 0.000 0.234 445 R C 2.271 178.524 176.300 -0.078 0.000 1.134 445 R CA 1.396 57.457 56.100 -0.065 0.000 0.952 445 R CB -0.135 30.148 30.300 -0.028 0.000 0.850 445 R HN 0.184 nan 8.270 nan 0.000 0.433 446 M N 0.608 120.181 119.600 -0.045 0.000 2.117 446 M HA -0.088 4.306 4.480 -0.144 0.000 0.262 446 M C -0.999 175.268 176.300 -0.055 0.000 1.065 446 M CA 1.757 57.027 55.300 -0.051 0.000 1.114 446 M CB -0.611 31.961 32.600 -0.047 0.000 1.361 446 M HN -0.052 nan 8.290 nan 0.000 0.408 447 P HA -0.128 nan 4.420 nan 0.000 0.215 447 P C 1.716 178.972 177.300 -0.074 0.000 1.157 447 P CA 1.196 64.262 63.100 -0.056 0.000 0.863 447 P CB -0.302 31.363 31.700 -0.058 0.000 0.787 448 c N -0.241 118.281 118.600 -0.131 0.000 2.386 448 c HA -0.167 4.317 4.570 -0.144 0.000 0.279 448 c C 2.792 176.850 174.090 -0.054 0.000 1.208 448 c CA 1.972 58.200 56.329 -0.169 0.000 1.747 448 c CB -1.611 40.680 42.510 -0.364 0.000 2.046 448 c HN 0.215 nan 8.230 nan 0.000 0.453 449 A N 0.111 122.900 122.820 -0.052 0.000 1.828 449 A HA -0.168 4.066 4.320 -0.144 0.000 0.215 449 A C 2.164 179.755 177.584 0.012 0.000 1.203 449 A CA 1.889 53.923 52.037 -0.005 0.000 0.614 449 A CB -1.015 17.961 19.000 -0.040 0.000 0.844 449 A HN 0.705 nan 8.150 nan 0.000 0.445 450 E N 0.102 120.290 120.200 -0.019 0.000 2.097 450 E HA -0.210 4.054 4.350 -0.144 0.000 0.196 450 E C 1.557 178.159 176.600 0.003 0.000 1.000 450 E CA 1.589 57.975 56.400 -0.022 0.000 0.804 450 E CB -0.394 29.276 29.700 -0.049 0.000 0.740 450 E HN 0.560 nan 8.360 nan 0.000 0.454 451 D N -0.636 119.776 120.400 0.020 0.000 2.224 451 D HA -0.130 4.424 4.640 -0.144 0.000 0.205 451 D C 1.764 178.124 176.300 0.100 0.000 0.965 451 D CA 0.492 54.520 54.000 0.048 0.000 0.852 451 D CB -0.217 40.608 40.800 0.042 0.000 0.947 451 D HN 0.198 nan 8.370 nan 0.000 0.494 452 Y N 1.615 121.876 120.300 -0.066 0.000 2.220 452 Y HA -0.013 4.427 4.550 -0.183 0.000 0.291 452 Y C 2.131 177.985 175.900 -0.078 0.000 1.129 452 Y CA 0.665 58.721 58.100 -0.073 0.000 1.161 452 Y CB -0.613 37.799 38.460 -0.080 0.000 0.997 452 Y HN -0.105 nan 8.280 nan 0.000 0.522 453 L N -0.865 120.337 121.223 -0.035 0.000 2.191 453 L HA -0.230 4.023 4.340 -0.144 0.000 0.212 453 L C 2.358 179.169 176.870 -0.099 0.000 1.103 453 L CA 1.454 56.211 54.840 -0.139 0.000 0.769 453 L CB -0.626 41.379 42.059 -0.090 0.000 0.908 453 L HN 0.081 nan 8.230 nan 0.000 0.438 454 S N -0.741 114.935 115.700 -0.039 0.000 2.387 454 S HA -0.103 4.281 4.470 -0.144 0.000 0.226 454 S C 2.029 176.595 174.600 -0.057 0.000 1.026 454 S CA 0.827 59.002 58.200 -0.042 0.000 0.972 454 S CB -0.034 63.149 63.200 -0.028 0.000 0.814 454 S HN 0.154 nan 8.310 nan 0.000 0.477 455 V N 1.415 121.312 119.914 -0.028 0.000 2.307 455 V HA -0.106 3.928 4.120 -0.144 0.000 0.245 455 V C 2.312 178.363 176.094 -0.071 0.000 1.045 455 V CA 1.357 63.638 62.300 -0.031 0.000 1.024 455 V CB -0.595 31.263 31.823 0.059 0.000 0.651 455 V HN 0.330 nan 8.190 nan 0.000 0.449 456 V N -0.082 119.757 119.914 -0.125 0.000 2.358 456 V HA -0.221 3.812 4.120 -0.144 0.000 0.246 456 V C 2.243 178.205 176.094 -0.220 0.000 1.047 456 V CA 1.787 63.966 62.300 -0.202 0.000 1.035 456 V CB -0.538 31.082 31.823 -0.338 0.000 0.658 456 V HN 0.451 nan 8.190 nan 0.000 0.452 457 L N 0.383 121.472 121.223 -0.222 0.000 2.275 457 L HA -0.126 4.128 4.340 -0.144 0.000 0.215 457 L C 2.254 179.041 176.870 -0.139 0.000 1.119 457 L CA 1.480 56.167 54.840 -0.256 0.000 0.790 457 L CB -0.695 41.228 42.059 -0.226 0.000 0.919 457 L HN 0.435 nan 8.230 nan 0.000 0.443 458 N N -0.021 118.624 118.700 -0.092 0.000 2.354 458 N HA -0.200 4.454 4.740 -0.144 0.000 0.179 458 N C 1.881 177.355 175.510 -0.060 0.000 1.021 458 N CA 0.705 53.726 53.050 -0.049 0.000 0.887 458 N CB 0.117 38.570 38.487 -0.058 0.000 0.974 458 N HN 0.292 nan 8.380 nan 0.000 0.437 459 Q N -0.087 119.662 119.800 -0.086 0.000 2.020 459 Q HA -0.165 4.089 4.340 -0.144 0.000 0.202 459 Q C 1.980 177.942 176.000 -0.064 0.000 0.982 459 Q CA 1.433 57.192 55.803 -0.073 0.000 0.838 459 Q CB -0.258 28.427 28.738 -0.087 0.000 0.899 459 Q HN 0.434 nan 8.270 nan 0.000 0.423 460 L N 0.724 121.881 121.223 -0.110 0.000 2.043 460 L HA -0.210 4.044 4.340 -0.144 0.000 0.212 460 L C 2.266 179.135 176.870 -0.002 0.000 1.075 460 L CA 1.931 56.712 54.840 -0.098 0.000 0.752 460 L CB -0.941 40.979 42.059 -0.231 0.000 0.891 460 L HN 0.421 nan 8.230 nan 0.000 0.432 461 c N -1.275 117.330 118.600 0.010 0.000 2.429 461 c HA -0.118 4.366 4.570 -0.144 0.000 0.277 461 c C 2.839 176.983 174.090 0.089 0.000 1.262 461 c CA 1.012 57.392 56.329 0.085 0.000 1.733 461 c CB -1.065 41.505 42.510 0.099 0.000 2.010 461 c HN 0.656 nan 8.230 nan 0.000 0.483 462 V N -0.563 119.371 119.914 0.033 0.000 2.379 462 V HA -0.082 3.951 4.120 -0.144 0.000 0.245 462 V C 2.119 178.234 176.094 0.035 0.000 1.044 462 V CA 1.692 64.002 62.300 0.017 0.000 1.036 462 V CB -1.043 30.761 31.823 -0.033 0.000 0.664 462 V HN 0.550 nan 8.190 nan 0.000 0.453 463 L N 0.194 121.439 121.223 0.036 0.000 2.079 463 L HA -0.179 4.075 4.340 -0.144 0.000 0.210 463 L C 2.780 179.683 176.870 0.056 0.000 1.081 463 L CA 2.472 57.333 54.840 0.035 0.000 0.752 463 L CB -0.879 41.193 42.059 0.022 0.000 0.896 463 L HN 0.504 nan 8.230 nan 0.000 0.433 464 H N -0.373 118.696 119.070 -0.001 0.000 2.428 464 H HA -0.153 4.314 4.556 -0.147 0.000 0.296 464 H C 2.240 177.573 175.328 0.009 0.000 1.062 464 H CA 1.408 57.463 56.048 0.011 0.000 1.350 464 H CB 0.252 30.033 29.762 0.033 0.000 1.403 464 H HN 0.086 nan 8.280 nan 0.000 0.533 465 E N 0.107 120.346 120.200 0.065 0.000 2.267 465 E HA -0.190 4.073 4.350 -0.144 0.000 0.197 465 E C 2.421 178.982 176.600 -0.065 0.000 0.998 465 E CA 1.414 57.818 56.400 0.006 0.000 0.830 465 E CB -0.395 29.320 29.700 0.024 0.000 0.751 465 E HN 0.790 nan 8.360 nan 0.000 0.491 466 K N 0.119 120.480 120.400 -0.065 0.000 1.973 466 K HA -0.067 4.166 4.320 -0.144 0.000 0.212 466 K C 1.869 178.411 176.600 -0.097 0.000 1.047 466 K CA 1.735 57.984 56.287 -0.063 0.000 0.937 466 K CB -1.219 31.258 32.500 -0.039 0.000 0.721 466 K HN 0.570 nan 8.250 nan 0.000 0.440 467 T N -0.318 114.151 114.554 -0.142 0.000 3.064 467 T HA 0.439 4.702 4.350 -0.144 0.000 0.367 467 T C -3.106 171.415 174.700 -0.299 0.000 1.202 467 T CA -1.923 60.084 62.100 -0.154 0.000 1.133 467 T CB 1.417 70.228 68.868 -0.095 0.000 1.074 467 T HN 0.206 nan 8.240 nan 0.000 0.519 468 P HA 0.226 nan 4.420 nan 0.000 0.276 468 P C 0.799 177.986 177.300 -0.189 0.000 1.264 468 P CA -0.417 62.387 63.100 -0.493 0.000 0.769 468 P CB 1.363 32.939 31.700 -0.207 0.000 0.840 469 V N 0.256 120.127 119.914 -0.072 0.000 3.398 469 V HA 0.309 4.343 4.120 -0.144 0.000 0.298 469 V C 0.486 176.684 176.094 0.174 0.000 1.496 469 V CA 0.026 62.371 62.300 0.076 0.000 1.044 469 V CB 0.215 32.075 31.823 0.062 0.000 0.880 469 V HN 0.505 nan 8.190 nan 0.000 0.443 470 S N 0.986 116.882 115.700 0.326 0.000 2.756 470 S HA 0.387 4.771 4.470 -0.144 0.000 0.303 470 S C 0.286 174.965 174.600 0.130 0.000 1.135 470 S CA -0.380 57.931 58.200 0.184 0.000 1.066 470 S CB 1.322 64.590 63.200 0.113 0.000 1.008 470 S HN 0.391 nan 8.310 nan 0.000 0.482 471 D N 3.852 124.297 120.400 0.075 0.000 2.264 471 D HA -0.051 4.503 4.640 -0.144 0.000 0.208 471 D C 1.571 177.860 176.300 -0.017 0.000 0.966 471 D CA 0.781 54.805 54.000 0.040 0.000 0.864 471 D CB 0.195 41.010 40.800 0.025 0.000 0.933 471 D HN 0.594 nan 8.370 nan 0.000 0.499 472 R N 0.331 120.806 120.500 -0.041 0.000 2.153 472 R HA 0.012 4.265 4.340 -0.144 0.000 0.218 472 R C 2.326 178.516 176.300 -0.183 0.000 1.072 472 R CA 0.282 56.319 56.100 -0.105 0.000 0.990 472 R CB 0.004 30.251 30.300 -0.089 0.000 0.889 472 R HN 0.040 nan 8.270 nan 0.000 0.452 473 V N 0.316 120.135 119.914 -0.157 0.000 2.407 473 V HA -0.167 3.866 4.120 -0.144 0.000 0.245 473 V C 2.019 178.014 176.094 -0.166 0.000 1.041 473 V CA 1.929 64.106 62.300 -0.205 0.000 1.040 473 V CB -0.217 31.268 31.823 -0.564 0.000 0.671 473 V HN 0.334 nan 8.190 nan 0.000 0.455 474 T N -0.012 114.494 114.554 -0.080 0.000 2.684 474 T HA -0.274 3.990 4.350 -0.144 0.000 0.267 474 T C 1.923 176.610 174.700 -0.021 0.000 1.036 474 T CA 2.104 64.219 62.100 0.026 0.000 1.148 474 T CB -0.209 68.712 68.868 0.088 0.000 0.863 474 T HN 0.479 nan 8.240 nan 0.000 0.436 475 K N 0.280 120.642 120.400 -0.063 0.000 2.026 475 K HA -0.106 4.128 4.320 -0.144 0.000 0.208 475 K C 2.439 178.967 176.600 -0.120 0.000 1.048 475 K CA 1.581 57.822 56.287 -0.078 0.000 0.929 475 K CB -0.556 31.890 32.500 -0.090 0.000 0.713 475 K HN 0.292 nan 8.250 nan 0.000 0.439 476 c N 0.468 118.917 118.600 -0.252 0.000 2.419 476 c HA -0.071 4.413 4.570 -0.144 0.000 0.281 476 c C 2.708 176.721 174.090 -0.129 0.000 1.336 476 c CA 0.497 56.607 56.329 -0.364 0.000 1.770 476 c CB -0.941 40.953 42.510 -1.028 0.000 1.929 476 c HN 0.678 nan 8.230 nan 0.000 0.509 477 c N 0.192 118.783 118.600 -0.015 0.000 2.495 477 c HA 0.011 4.495 4.570 -0.144 0.000 0.275 477 c C 2.642 176.837 174.090 0.175 0.000 1.392 477 c CA 1.588 57.995 56.329 0.130 0.000 1.766 477 c CB -1.400 41.194 42.510 0.139 0.000 1.933 477 c HN 0.844 nan 8.230 nan 0.000 0.519 478 T N -2.708 111.911 114.554 0.110 0.000 2.969 478 T HA 0.059 4.322 4.350 -0.144 0.000 0.250 478 T C 1.384 176.182 174.700 0.163 0.000 1.021 478 T CA 0.559 62.731 62.100 0.119 0.000 1.003 478 T CB -0.208 68.669 68.868 0.015 0.000 1.040 478 T HN 0.409 nan 8.240 nan 0.000 0.492 479 E N 1.902 122.158 120.200 0.093 0.000 2.118 479 E HA -0.032 4.232 4.350 -0.144 0.000 0.195 479 E C 0.544 177.207 176.600 0.105 0.000 0.992 479 E CA 1.135 57.575 56.400 0.067 0.000 0.804 479 E CB 0.127 29.828 29.700 0.001 0.000 0.741 479 E HN 0.590 nan 8.360 nan 0.000 0.458 480 S N -2.027 113.739 115.700 0.109 0.000 2.556 480 S HA 0.119 4.503 4.470 -0.144 0.000 0.280 480 S C -0.089 174.434 174.600 -0.128 0.000 1.141 480 S CA -0.823 57.385 58.200 0.013 0.000 0.883 480 S CB 0.815 63.994 63.200 -0.035 0.000 1.103 480 S HN 0.107 nan 8.310 nan 0.000 0.453 481 L N 4.818 125.745 121.223 -0.493 0.000 2.068 481 L HA 0.197 4.451 4.340 -0.144 0.000 0.204 481 L C 2.434 179.134 176.870 -0.282 0.000 1.076 481 L CA 2.635 57.096 54.840 -0.631 0.000 0.753 481 L CB -0.588 40.760 42.059 -1.185 0.000 0.910 481 L HN 1.053 nan 8.230 nan 0.000 0.439 482 V N -3.115 116.663 119.914 -0.226 0.000 3.217 482 V HA -0.012 4.022 4.120 -0.144 0.000 0.264 482 V C 1.378 177.413 176.094 -0.099 0.000 1.135 482 V CA 1.720 63.938 62.300 -0.137 0.000 1.142 482 V CB -1.171 30.578 31.823 -0.123 0.000 0.754 482 V HN 0.565 nan 8.190 nan 0.000 0.484 483 N N -0.123 118.523 118.700 -0.090 0.000 2.230 483 N HA 0.233 4.887 4.740 -0.144 0.000 0.202 483 N C 1.651 177.145 175.510 -0.028 0.000 1.119 483 N CA -0.224 52.789 53.050 -0.062 0.000 0.851 483 N CB 0.088 38.536 38.487 -0.065 0.000 0.990 483 N HN 0.415 nan 8.380 nan 0.000 0.497 484 R N 0.931 121.431 120.500 0.001 0.000 2.094 484 R HA -0.123 4.130 4.340 -0.144 0.000 0.239 484 R C 2.122 178.538 176.300 0.193 0.000 1.137 484 R CA 1.256 57.416 56.100 0.099 0.000 0.943 484 R CB -0.159 30.226 30.300 0.142 0.000 0.850 484 R HN 0.182 nan 8.270 nan 0.000 0.433 485 R N 0.463 121.035 120.500 0.120 0.000 2.073 485 R HA -0.088 4.166 4.340 -0.144 0.000 0.234 485 R C -0.795 175.563 176.300 0.096 0.000 1.134 485 R CA 1.628 57.801 56.100 0.122 0.000 0.952 485 R CB -1.264 29.058 30.300 0.037 0.000 0.850 485 R HN 0.182 nan 8.270 nan 0.000 0.433 486 P HA -0.091 nan 4.420 nan 0.000 0.217 486 P C 1.646 178.937 177.300 -0.015 0.000 1.150 486 P CA 0.860 63.957 63.100 -0.004 0.000 0.832 486 P CB -0.210 31.468 31.700 -0.036 0.000 0.787 487 c N -1.624 116.952 118.600 -0.040 0.000 2.413 487 c HA -0.169 4.315 4.570 -0.144 0.000 0.277 487 c C 2.402 176.395 174.090 -0.161 0.000 1.228 487 c CA 0.854 57.101 56.329 -0.137 0.000 1.731 487 c CB -2.064 40.312 42.510 -0.224 0.000 2.042 487 c HN 0.071 nan 8.230 nan 0.000 0.468 488 F N 1.121 121.045 119.950 -0.043 0.000 2.171 488 F HA -0.087 4.357 4.527 -0.138 0.000 0.300 488 F C 2.846 178.580 175.800 -0.110 0.000 1.090 488 F CA 1.959 59.924 58.000 -0.057 0.000 1.293 488 F CB -0.776 38.244 39.000 0.033 0.000 1.013 488 F HN 0.148 nan 8.300 nan 0.000 0.486 489 S N -0.588 115.178 115.700 0.109 0.000 2.402 489 S HA -0.109 4.274 4.470 -0.144 0.000 0.229 489 S C 2.256 176.838 174.600 -0.031 0.000 1.021 489 S CA 0.871 59.084 58.200 0.021 0.000 0.974 489 S CB -0.451 62.765 63.200 0.027 0.000 0.800 489 S HN 0.349 nan 8.310 nan 0.000 0.484 490 A N 0.846 123.642 122.820 -0.041 0.000 2.014 490 A HA 0.212 4.446 4.320 -0.144 0.000 0.218 490 A C 0.856 178.394 177.584 -0.076 0.000 1.163 490 A CA 0.402 52.404 52.037 -0.058 0.000 0.652 490 A CB -0.365 18.597 19.000 -0.064 0.000 0.808 490 A HN 0.422 nan 8.150 nan 0.000 0.449 491 L N -0.198 120.968 121.223 -0.096 0.000 2.485 491 L HA 0.135 4.389 4.340 -0.144 0.000 0.275 491 L C 1.274 178.077 176.870 -0.112 0.000 1.207 491 L CA -0.185 54.590 54.840 -0.108 0.000 0.855 491 L CB 0.616 42.601 42.059 -0.123 0.000 1.114 491 L HN 0.402 nan 8.230 nan 0.000 0.485 492 E N 2.025 122.168 120.200 -0.094 0.000 2.694 492 E HA 0.220 4.484 4.350 -0.144 0.000 0.224 492 E C -0.820 175.728 176.600 -0.087 0.000 1.068 492 E CA 0.107 56.456 56.400 -0.086 0.000 1.043 492 E CB 0.708 30.373 29.700 -0.058 0.000 2.367 492 E HN 0.309 nan 8.360 nan 0.000 0.565 493 V N 0.332 120.210 119.914 -0.059 0.000 2.709 493 V HA 0.534 4.568 4.120 -0.144 0.000 0.308 493 V C -1.038 175.039 176.094 -0.029 0.000 1.062 493 V CA -0.961 61.309 62.300 -0.049 0.000 0.901 493 V CB 1.785 33.593 31.823 -0.025 0.000 1.003 493 V HN 0.294 nan 8.190 nan 0.000 0.425 494 D N 3.494 123.877 120.400 -0.028 0.000 2.348 494 D HA 0.153 4.707 4.640 -0.144 0.000 0.259 494 D C 1.079 177.417 176.300 0.064 0.000 1.296 494 D CA 0.454 54.459 54.000 0.008 0.000 0.931 494 D CB 1.222 42.023 40.800 0.002 0.000 1.067 494 D HN 0.791 nan 8.370 nan 0.000 0.503 495 E N 1.096 121.321 120.200 0.041 0.000 2.153 495 E HA -0.148 4.115 4.350 -0.144 0.000 0.194 495 E C 1.704 178.341 176.600 0.061 0.000 0.988 495 E CA 1.297 57.724 56.400 0.046 0.000 0.811 495 E CB 0.177 29.889 29.700 0.020 0.000 0.746 495 E HN 0.592 nan 8.360 nan 0.000 0.466 496 T N -1.748 112.846 114.554 0.067 0.000 3.088 496 T HA -0.113 4.151 4.350 -0.144 0.000 0.259 496 T C 0.571 175.329 174.700 0.096 0.000 1.122 496 T CA -0.297 61.839 62.100 0.061 0.000 1.095 496 T CB -0.334 68.561 68.868 0.046 0.000 0.930 496 T HN 0.088 nan 8.240 nan 0.000 0.508 497 Y N 2.381 122.682 120.300 0.002 0.000 2.721 497 Y HA 0.371 4.836 4.550 -0.142 0.000 0.329 497 Y C -0.381 175.525 175.900 0.009 0.000 1.211 497 Y CA -0.995 57.110 58.100 0.009 0.000 1.512 497 Y CB 0.341 38.807 38.460 0.011 0.000 1.249 497 Y HN -0.034 nan 8.280 nan 0.000 0.549 498 V N 10.116 129.659 119.914 -0.619 0.000 2.350 498 V HA 0.268 4.302 4.120 -0.144 0.000 0.276 498 V C -1.830 173.673 176.094 -0.985 0.000 1.028 498 V CA -1.963 59.993 62.300 -0.574 0.000 0.860 498 V CB 0.972 32.628 31.823 -0.279 0.000 0.990 498 V HN 0.784 nan 8.190 nan 0.000 0.453 499 P HA 0.035 nan 4.420 nan 0.000 0.270 499 P C -0.535 176.660 177.300 -0.175 0.000 1.216 499 P CA 0.098 62.984 63.100 -0.357 0.000 0.788 499 P CB 0.545 32.156 31.700 -0.148 0.000 0.883 500 K N 0.785 121.229 120.400 0.073 0.000 2.156 500 K HA 0.556 4.789 4.320 -0.144 0.000 0.250 500 K C 0.046 176.849 176.600 0.338 0.000 0.955 500 K CA -0.582 55.805 56.287 0.167 0.000 0.855 500 K CB 0.906 33.535 32.500 0.215 0.000 1.101 500 K HN 0.448 nan 8.250 nan 0.000 0.434 501 E N 2.070 122.421 120.200 0.252 0.000 2.349 501 E HA 0.146 4.410 4.350 -0.144 0.000 0.262 501 E C -0.782 175.967 176.600 0.247 0.000 1.088 501 E CA -0.491 56.103 56.400 0.323 0.000 0.899 501 E CB 0.363 30.175 29.700 0.187 0.000 1.044 501 E HN 0.475 nan 8.360 nan 0.000 0.420 502 F N 1.659 121.609 119.950 -0.000 0.000 2.471 502 F HA 0.297 4.739 4.527 -0.143 0.000 0.353 502 F C 0.391 176.167 175.800 -0.041 0.000 1.113 502 F CA -0.014 57.847 58.000 -0.232 0.000 1.262 502 F CB 0.636 39.440 39.000 -0.325 0.000 1.146 502 F HN 0.498 nan 8.300 nan 0.000 0.578 503 N N 4.626 123.021 118.700 -0.507 0.000 2.540 503 N HA 0.415 5.069 4.740 -0.144 0.000 0.275 503 N C 0.427 175.614 175.510 -0.539 0.000 1.053 503 N CA -0.074 52.812 53.050 -0.274 0.000 0.876 503 N CB 1.630 40.045 38.487 -0.119 0.000 1.284 503 N HN 0.877 nan 8.380 nan 0.000 0.518 504 A N 2.687 125.392 122.820 -0.191 0.000 1.882 504 A HA -0.346 3.888 4.320 -0.144 0.000 0.220 504 A C 2.040 179.613 177.584 -0.018 0.000 1.253 504 A CA 2.810 54.864 52.037 0.029 0.000 0.664 504 A CB -1.194 17.915 19.000 0.181 0.000 0.838 504 A HN 0.776 nan 8.150 nan 0.000 0.460 505 E N -1.732 118.467 120.200 -0.001 0.000 2.338 505 E HA -0.092 4.172 4.350 -0.144 0.000 0.197 505 E C 1.849 178.441 176.600 -0.013 0.000 1.007 505 E CA 1.659 58.065 56.400 0.008 0.000 0.849 505 E CB -1.516 28.186 29.700 0.003 0.000 0.774 505 E HN 0.627 nan 8.360 nan 0.000 0.506 506 T N -0.315 114.212 114.554 -0.046 0.000 2.977 506 T HA 0.060 4.324 4.350 -0.144 0.000 0.271 506 T C -0.314 174.235 174.700 -0.252 0.000 1.105 506 T CA 0.698 62.715 62.100 -0.139 0.000 1.116 506 T CB -0.346 68.409 68.868 -0.187 0.000 0.878 506 T HN 0.426 nan 8.240 nan 0.000 0.509 507 F N 1.452 121.285 119.950 -0.195 0.000 2.471 507 F HA 0.448 4.890 4.527 -0.141 0.000 0.318 507 F C 0.695 176.463 175.800 -0.054 0.000 1.308 507 F CA -1.330 56.603 58.000 -0.112 0.000 1.162 507 F CB -0.063 38.874 39.000 -0.105 0.000 1.383 507 F HN -0.195 nan 8.300 nan 0.000 0.552 508 T N -0.239 114.362 114.554 0.077 0.000 2.797 508 T HA 0.860 5.124 4.350 -0.144 0.000 0.279 508 T C -0.348 174.377 174.700 0.041 0.000 0.991 508 T CA -0.038 62.098 62.100 0.059 0.000 0.979 508 T CB 0.442 69.328 68.868 0.029 0.000 0.943 508 T HN 0.510 nan 8.240 nan 0.000 0.444 509 F N -1.641 118.338 119.950 0.047 0.000 4.047 509 F HA 0.658 5.099 4.527 -0.144 0.000 0.308 509 F C 0.773 176.595 175.800 0.038 0.000 0.906 509 F CA 0.893 58.914 58.000 0.036 0.000 0.781 509 F CB -0.254 38.767 39.000 0.034 0.000 1.828 509 F HN 2.053 nan 8.300 nan 0.000 0.440 510 H N -2.727 116.363 119.070 0.033 0.000 1.805 510 H HA 0.539 5.008 4.556 -0.144 0.000 0.115 510 H C 1.871 177.213 175.328 0.023 0.000 1.300 510 H CA 2.617 58.683 56.048 0.030 0.000 0.419 510 H CB -1.458 28.321 29.762 0.029 0.000 0.320 510 H HN 2.479 nan 8.280 nan 0.000 0.206 511 A N 0.936 123.768 122.820 0.020 0.000 2.070 511 A HA 0.199 4.433 4.320 -0.144 0.000 0.202 511 A C 1.894 179.487 177.584 0.014 0.000 1.277 511 A CA 1.495 53.542 52.037 0.016 0.000 0.872 511 A CB -0.032 18.977 19.000 0.015 0.000 0.933 511 A HN 0.907 nan 8.150 nan 0.000 0.475 512 D N 1.510 121.918 120.400 0.015 0.000 2.264 512 D HA -0.165 4.389 4.640 -0.144 0.000 0.208 512 D C 1.647 177.954 176.300 0.012 0.000 0.966 512 D CA 1.477 55.485 54.000 0.012 0.000 0.864 512 D CB -0.518 40.289 40.800 0.012 0.000 0.933 512 D HN 0.658 nan 8.370 nan 0.000 0.499 513 I N -0.964 119.614 120.570 0.013 0.000 2.676 513 I HA -0.107 3.977 4.170 -0.144 0.000 0.259 513 I C 2.089 178.213 176.117 0.011 0.000 1.194 513 I CA 0.328 61.636 61.300 0.013 0.000 1.473 513 I CB -0.608 37.402 38.000 0.016 0.000 1.096 513 I HN -0.070 nan 8.210 nan 0.000 0.443 514 c N 2.066 120.673 118.600 0.011 0.000 2.436 514 c HA -0.098 4.385 4.570 -0.144 0.000 0.277 514 c C 3.233 177.328 174.090 0.007 0.000 1.241 514 c CA 1.818 58.153 56.329 0.009 0.000 1.721 514 c CB -1.967 40.549 42.510 0.010 0.000 2.043 514 c HN 0.684 nan 8.230 nan 0.000 0.472 515 T N 0.913 115.472 114.554 0.009 0.000 2.849 515 T HA 0.229 4.493 4.350 -0.144 0.000 0.270 515 T C 0.958 175.663 174.700 0.008 0.000 1.066 515 T CA 1.802 63.907 62.100 0.009 0.000 1.130 515 T CB -0.961 67.913 68.868 0.010 0.000 0.864 515 T HN 0.690 nan 8.240 nan 0.000 0.481 516 L N 2.574 123.802 121.223 0.008 0.000 2.485 516 L HA 0.579 4.833 4.340 -0.144 0.000 0.275 516 L C 1.321 178.194 176.870 0.005 0.000 1.207 516 L CA -0.237 54.608 54.840 0.007 0.000 0.855 516 L CB -0.848 41.215 42.059 0.007 0.000 1.114 516 L HN 0.814 nan 8.230 nan 0.000 0.485 517 S N 0.757 116.460 115.700 0.006 0.000 2.687 517 S HA 0.005 4.389 4.470 -0.144 0.000 0.248 517 S C 1.099 175.697 174.600 -0.004 0.000 1.390 517 S CA 0.863 59.065 58.200 0.003 0.000 0.963 517 S CB 0.238 63.442 63.200 0.007 0.000 0.957 517 S HN 1.069 nan 8.310 nan 0.000 0.584 518 E N 1.012 121.206 120.200 -0.010 0.000 2.028 518 E HA -0.034 4.230 4.350 -0.144 0.000 0.190 518 E C 2.466 179.049 176.600 -0.029 0.000 0.984 518 E CA 2.234 58.618 56.400 -0.026 0.000 0.800 518 E CB -1.092 28.589 29.700 -0.033 0.000 0.758 518 E HN 0.765 nan 8.360 nan 0.000 0.448 519 K N 0.477 120.869 120.400 -0.013 0.000 2.057 519 K HA -0.079 4.154 4.320 -0.144 0.000 0.207 519 K C 2.303 178.910 176.600 0.012 0.000 1.049 519 K CA 2.159 58.447 56.287 0.001 0.000 0.931 519 K CB -1.761 30.750 32.500 0.017 0.000 0.714 519 K HN 0.447 nan 8.250 nan 0.000 0.440 520 E N 0.400 120.606 120.200 0.010 0.000 2.331 520 E HA -0.115 4.148 4.350 -0.144 0.000 0.199 520 E C 2.342 178.950 176.600 0.012 0.000 1.008 520 E CA 1.919 58.326 56.400 0.012 0.000 0.843 520 E CB -1.120 28.586 29.700 0.009 0.000 0.761 520 E HN 0.820 nan 8.360 nan 0.000 0.507 521 R N 0.325 120.829 120.500 0.006 0.000 2.066 521 R HA -0.024 4.229 4.340 -0.144 0.000 0.224 521 R C 2.413 178.729 176.300 0.028 0.000 1.122 521 R CA 1.512 57.617 56.100 0.008 0.000 0.974 521 R CB -0.856 29.439 30.300 -0.009 0.000 0.871 521 R HN 0.685 nan 8.270 nan 0.000 0.435 522 Q N 0.374 120.192 119.800 0.030 0.000 2.084 522 Q HA 0.025 4.278 4.340 -0.144 0.000 0.202 522 Q C 2.149 178.227 176.000 0.129 0.000 0.978 522 Q CA 1.612 57.487 55.803 0.120 0.000 0.844 522 Q CB -0.261 28.568 28.738 0.151 0.000 0.898 522 Q HN 0.585 nan 8.270 nan 0.000 0.426 523 I N 0.545 121.161 120.570 0.077 0.000 3.010 523 I HA -0.223 3.860 4.170 -0.144 0.000 0.271 523 I C 2.037 178.169 176.117 0.025 0.000 1.293 523 I CA 0.727 62.055 61.300 0.047 0.000 1.452 523 I CB -0.101 37.916 38.000 0.028 0.000 1.082 523 I HN -0.005 nan 8.210 nan 0.000 0.484 524 K N 0.076 120.494 120.400 0.031 0.000 2.214 524 K HA 0.005 4.239 4.320 -0.144 0.000 0.201 524 K C 2.285 178.899 176.600 0.023 0.000 1.049 524 K CA 0.482 56.778 56.287 0.015 0.000 0.978 524 K CB 0.045 32.555 32.500 0.017 0.000 0.842 524 K HN 0.244 nan 8.250 nan 0.000 0.474 525 K N 0.959 121.395 120.400 0.059 0.000 2.155 525 K HA 0.025 4.259 4.320 -0.144 0.000 0.203 525 K C 2.342 178.975 176.600 0.055 0.000 1.052 525 K CA 1.217 57.550 56.287 0.076 0.000 0.948 525 K CB -0.306 32.271 32.500 0.128 0.000 0.728 525 K HN 0.491 nan 8.250 nan 0.000 0.448 526 Q N -0.196 119.635 119.800 0.051 0.000 2.172 526 Q HA -0.040 4.214 4.340 -0.144 0.000 0.200 526 Q C 2.133 178.116 176.000 -0.029 0.000 0.964 526 Q CA 1.604 57.410 55.803 0.005 0.000 0.855 526 Q CB -0.196 28.547 28.738 0.007 0.000 0.918 526 Q HN 0.419 nan 8.270 nan 0.000 0.444 527 T N 0.833 115.365 114.554 -0.037 0.000 2.821 527 T HA -0.085 4.178 4.350 -0.144 0.000 0.267 527 T C 1.897 176.520 174.700 -0.129 0.000 1.046 527 T CA 1.085 63.138 62.100 -0.080 0.000 1.139 527 T CB -0.133 68.685 68.868 -0.083 0.000 0.871 527 T HN 0.359 nan 8.240 nan 0.000 0.454 528 A N 1.566 124.321 122.820 -0.108 0.000 1.873 528 A HA 0.031 4.265 4.320 -0.144 0.000 0.215 528 A C 2.199 179.744 177.584 -0.064 0.000 1.186 528 A CA 1.031 52.979 52.037 -0.150 0.000 0.616 528 A CB -0.864 18.132 19.000 -0.007 0.000 0.823 528 A HN 0.375 nan 8.150 nan 0.000 0.442 529 L N 0.205 121.424 121.223 -0.007 0.000 2.043 529 L HA -0.166 4.088 4.340 -0.144 0.000 0.212 529 L C 2.423 179.293 176.870 -0.001 0.000 1.075 529 L CA 2.012 56.861 54.840 0.016 0.000 0.752 529 L CB -0.816 41.240 42.059 -0.005 0.000 0.891 529 L HN 0.180 nan 8.230 nan 0.000 0.432 530 V N -0.269 119.621 119.914 -0.040 0.000 2.233 530 V HA -0.275 3.758 4.120 -0.144 0.000 0.247 530 V C 2.654 178.729 176.094 -0.032 0.000 1.050 530 V CA 1.932 64.207 62.300 -0.042 0.000 1.010 530 V CB -0.659 31.127 31.823 -0.063 0.000 0.637 530 V HN 0.445 nan 8.190 nan 0.000 0.444 531 E N -0.190 119.947 120.200 -0.105 0.000 2.114 531 E HA -0.265 3.999 4.350 -0.144 0.000 0.199 531 E C 2.142 178.783 176.600 0.068 0.000 1.008 531 E CA 1.453 57.767 56.400 -0.143 0.000 0.810 531 E CB -0.521 28.853 29.700 -0.543 0.000 0.739 531 E HN 0.539 nan 8.360 nan 0.000 0.456 532 L N 0.458 121.764 121.223 0.139 0.000 2.017 532 L HA -0.179 4.075 4.340 -0.144 0.000 0.208 532 L C 2.337 179.355 176.870 0.246 0.000 1.073 532 L CA 1.067 56.090 54.840 0.306 0.000 0.745 532 L CB -0.115 42.103 42.059 0.265 0.000 0.894 532 L HN -0.001 nan 8.230 nan 0.000 0.432 533 V N -0.275 119.725 119.914 0.143 0.000 2.626 533 V HA -0.258 3.776 4.120 -0.144 0.000 0.252 533 V C 2.307 178.486 176.094 0.141 0.000 1.067 533 V CA 1.547 63.914 62.300 0.112 0.000 1.081 533 V CB -0.658 31.193 31.823 0.046 0.000 0.686 533 V HN 0.429 nan 8.190 nan 0.000 0.468 534 K N -0.748 119.745 120.400 0.153 0.000 2.365 534 K HA -0.148 4.086 4.320 -0.144 0.000 0.199 534 K C 2.064 178.884 176.600 0.367 0.000 1.045 534 K CA 1.104 57.519 56.287 0.213 0.000 0.962 534 K CB -0.108 32.488 32.500 0.161 0.000 0.759 534 K HN 0.536 nan 8.250 nan 0.000 0.469 535 H N 0.394 119.587 119.070 0.206 0.000 2.418 535 H HA 0.092 4.561 4.556 -0.144 0.000 0.300 535 H C 0.587 176.012 175.328 0.162 0.000 1.041 535 H CA 1.412 57.580 56.048 0.200 0.000 1.364 535 H CB 0.483 30.391 29.762 0.244 0.000 1.439 535 H HN -0.039 nan 8.280 nan 0.000 0.540 536 K N 0.969 121.463 120.400 0.156 0.000 2.724 536 K HA 0.315 4.549 4.320 -0.144 0.000 0.198 536 K C -2.404 174.248 176.600 0.086 0.000 1.099 536 K CA -1.324 54.998 56.287 0.058 0.000 1.025 536 K CB -0.022 32.520 32.500 0.069 0.000 1.509 536 K HN 0.249 nan 8.250 nan 0.000 0.564 537 P HA -0.262 nan 4.420 nan 0.000 0.215 537 P C 0.972 178.310 177.300 0.063 0.000 1.163 537 P CA 1.242 64.411 63.100 0.114 0.000 0.894 537 P CB 0.334 32.159 31.700 0.208 0.000 0.791 538 K N -0.701 119.729 120.400 0.051 0.000 2.515 538 K HA 0.093 4.327 4.320 -0.144 0.000 0.196 538 K C 1.131 177.744 176.600 0.022 0.000 1.038 538 K CA 0.314 56.618 56.287 0.029 0.000 0.967 538 K CB -0.841 31.670 32.500 0.019 0.000 0.780 538 K HN 0.139 nan 8.250 nan 0.000 0.483 539 A N 1.941 124.778 122.820 0.028 0.000 2.552 539 A HA 0.072 4.306 4.320 -0.144 0.000 0.241 539 A C 0.717 178.314 177.584 0.021 0.000 1.103 539 A CA 0.544 52.598 52.037 0.027 0.000 0.789 539 A CB -0.040 18.986 19.000 0.042 0.000 1.050 539 A HN 0.388 nan 8.150 nan 0.000 0.515 540 T N -3.042 111.523 114.554 0.018 0.000 2.932 540 T HA 0.646 4.910 4.350 -0.144 0.000 0.289 540 T C 1.133 175.841 174.700 0.013 0.000 1.039 540 T CA 0.109 62.217 62.100 0.013 0.000 1.024 540 T CB 1.487 70.362 68.868 0.010 0.000 1.090 540 T HN 1.182 nan 8.240 nan 0.000 0.496 541 K N 0.217 120.622 120.400 0.008 0.000 2.173 541 K HA -0.093 4.141 4.320 -0.144 0.000 0.207 541 K C 2.378 178.985 176.600 0.011 0.000 1.046 541 K CA 2.808 59.099 56.287 0.007 0.000 0.929 541 K CB -2.001 30.502 32.500 0.005 0.000 0.720 541 K HN 0.988 nan 8.250 nan 0.000 0.453 542 E N 1.082 121.289 120.200 0.013 0.000 2.001 542 E HA -0.254 4.009 4.350 -0.144 0.000 0.193 542 E C 2.267 178.878 176.600 0.019 0.000 0.994 542 E CA 1.518 57.927 56.400 0.015 0.000 0.815 542 E CB -0.874 28.834 29.700 0.013 0.000 0.770 542 E HN 0.849 nan 8.360 nan 0.000 0.453 543 Q N 0.070 119.882 119.800 0.020 0.000 2.012 543 Q HA -0.212 4.041 4.340 -0.144 0.000 0.211 543 Q C 2.584 178.604 176.000 0.033 0.000 1.009 543 Q CA 2.160 57.978 55.803 0.026 0.000 0.866 543 Q CB -0.608 28.146 28.738 0.028 0.000 0.945 543 Q HN 0.564 nan 8.270 nan 0.000 0.414 544 L N 0.489 121.733 121.223 0.034 0.000 1.990 544 L HA -0.282 3.972 4.340 -0.144 0.000 0.213 544 L C 2.929 179.819 176.870 0.034 0.000 1.072 544 L CA 2.001 56.865 54.840 0.039 0.000 0.755 544 L CB -1.050 41.027 42.059 0.030 0.000 0.889 544 L HN 0.320 nan 8.230 nan 0.000 0.432 545 K N 0.119 120.533 120.400 0.024 0.000 2.218 545 K HA -0.105 4.129 4.320 -0.144 0.000 0.205 545 K C 2.065 178.684 176.600 0.032 0.000 1.046 545 K CA 1.681 57.982 56.287 0.024 0.000 0.933 545 K CB -1.117 31.394 32.500 0.019 0.000 0.728 545 K HN 0.529 nan 8.250 nan 0.000 0.454 546 A N 0.344 123.184 122.820 0.032 0.000 1.850 546 A HA 0.126 4.360 4.320 -0.144 0.000 0.212 546 A C 2.468 180.076 177.584 0.040 0.000 1.208 546 A CA 1.381 53.438 52.037 0.033 0.000 0.609 546 A CB -0.272 18.745 19.000 0.028 0.000 0.860 546 A HN 0.342 nan 8.150 nan 0.000 0.448 547 V N 0.000 119.942 119.914 0.046 0.000 2.867 547 V HA -0.293 3.740 4.120 -0.144 0.000 0.260 547 V C 3.125 179.259 176.094 0.067 0.000 1.099 547 V CA 2.316 64.651 62.300 0.057 0.000 1.122 547 V CB -1.586 30.279 31.823 0.071 0.000 0.708 547 V HN 0.679 nan 8.190 nan 0.000 0.490 548 M N 0.666 120.303 119.600 0.062 0.000 2.098 548 M HA -0.108 4.286 4.480 -0.144 0.000 0.262 548 M C 2.243 178.587 176.300 0.072 0.000 1.072 548 M CA 2.789 58.130 55.300 0.069 0.000 1.133 548 M CB -2.023 30.611 32.600 0.058 0.000 1.344 548 M HN 0.587 nan 8.290 nan 0.000 0.414 549 D N 1.222 121.659 120.400 0.062 0.000 2.126 549 D HA -0.301 4.253 4.640 -0.144 0.000 0.190 549 D C 1.617 177.949 176.300 0.053 0.000 1.001 549 D CA 1.922 55.956 54.000 0.057 0.000 0.841 549 D CB -1.370 39.456 40.800 0.045 0.000 0.949 549 D HN 0.764 nan 8.370 nan 0.000 0.446 550 D N -0.213 120.217 120.400 0.049 0.000 2.158 550 D HA -0.137 4.417 4.640 -0.144 0.000 0.197 550 D C 2.209 178.541 176.300 0.054 0.000 0.995 550 D CA 1.875 55.903 54.000 0.046 0.000 0.846 550 D CB -1.041 39.785 40.800 0.044 0.000 0.941 550 D HN 0.691 nan 8.370 nan 0.000 0.456 551 F N 1.642 121.632 119.950 0.067 0.000 2.161 551 F HA 0.033 4.474 4.527 -0.144 0.000 0.300 551 F C 2.882 178.720 175.800 0.064 0.000 1.089 551 F CA 1.753 59.799 58.000 0.077 0.000 1.282 551 F CB -1.196 37.860 39.000 0.092 0.000 1.010 551 F HN 0.243 nan 8.300 nan 0.000 0.485 552 A N 0.233 123.088 122.820 0.058 0.000 1.877 552 A HA 0.132 4.365 4.320 -0.144 0.000 0.216 552 A C 2.702 180.307 177.584 0.035 0.000 1.186 552 A CA 2.378 54.442 52.037 0.044 0.000 0.620 552 A CB -1.557 17.467 19.000 0.040 0.000 0.822 552 A HN 1.468 nan 8.150 nan 0.000 0.443 553 A N -1.107 121.733 122.820 0.035 0.000 1.869 553 A HA -0.054 4.180 4.320 -0.144 0.000 0.218 553 A C 2.412 180.014 177.584 0.029 0.000 1.203 553 A CA 2.856 54.910 52.037 0.028 0.000 0.638 553 A CB -1.548 17.469 19.000 0.028 0.000 0.831 553 A HN 1.353 nan 8.150 nan 0.000 0.450 554 F N -0.619 119.352 119.950 0.036 0.000 2.449 554 F HA 0.207 4.648 4.527 -0.144 0.000 0.299 554 F C 2.492 178.313 175.800 0.034 0.000 1.092 554 F CA 2.036 60.059 58.000 0.037 0.000 1.446 554 F CB -1.400 37.629 39.000 0.048 0.000 1.084 554 F HN 0.458 nan 8.300 nan 0.000 0.567 555 V N 0.734 120.667 119.914 0.032 0.000 2.575 555 V HA -0.069 3.965 4.120 -0.144 0.000 0.242 555 V C 2.079 178.184 176.094 0.019 0.000 1.045 555 V CA 1.801 64.116 62.300 0.026 0.000 1.065 555 V CB -0.735 31.103 31.823 0.025 0.000 0.717 555 V HN 0.501 nan 8.190 nan 0.000 0.467 556 E N 0.731 120.941 120.200 0.017 0.000 2.028 556 E HA -0.209 4.055 4.350 -0.144 0.000 0.190 556 E C 2.165 178.773 176.600 0.013 0.000 0.984 556 E CA 1.271 57.679 56.400 0.012 0.000 0.800 556 E CB -0.436 29.270 29.700 0.010 0.000 0.758 556 E HN 0.681 nan 8.360 nan 0.000 0.448 557 K N 1.158 121.567 120.400 0.015 0.000 1.980 557 K HA -0.270 3.963 4.320 -0.144 0.000 0.223 557 K C 2.345 178.954 176.600 0.015 0.000 1.052 557 K CA 2.169 58.465 56.287 0.015 0.000 0.974 557 K CB -0.793 31.717 32.500 0.016 0.000 0.734 557 K HN 0.303 nan 8.250 nan 0.000 0.447 558 c N 1.773 120.384 118.600 0.018 0.000 2.376 558 c HA -0.139 4.345 4.570 -0.144 0.000 0.275 558 c C 1.941 176.040 174.090 0.016 0.000 1.200 558 c CA 0.563 56.903 56.329 0.018 0.000 1.756 558 c CB -0.861 41.663 42.510 0.023 0.000 2.050 558 c HN 0.676 nan 8.230 nan 0.000 0.460 567 c N 1.319 119.929 118.600 0.017 0.000 2.399 567 c HA 0.248 4.732 4.570 -0.144 0.000 0.296 567 c C 2.570 176.674 174.090 0.024 0.000 1.415 567 c CA 0.467 56.807 56.329 0.019 0.000 1.798 567 c CB -2.643 39.878 42.510 0.018 0.000 1.802 567 c HN 0.587 nan 8.230 nan 0.000 0.549 568 F N 1.392 121.357 119.950 0.025 0.000 2.065 568 F HA 0.129 4.569 4.527 -0.144 0.000 0.298 568 F C 2.723 178.544 175.800 0.035 0.000 1.112 568 F CA 2.576 60.594 58.000 0.030 0.000 1.212 568 F CB -1.531 37.485 39.000 0.027 0.000 0.975 568 F HN 0.595 nan 8.300 nan 0.000 0.476 569 A N -0.562 122.276 122.820 0.030 0.000 1.903 569 A HA 0.279 4.513 4.320 -0.144 0.000 0.213 569 A C 2.062 179.661 177.584 0.025 0.000 1.185 569 A CA 2.116 54.171 52.037 0.030 0.000 0.628 569 A CB -1.424 17.591 19.000 0.025 0.000 0.830 569 A HN 0.894 nan 8.150 nan 0.000 0.446 570 E N -0.657 119.555 120.200 0.020 0.000 1.999 570 E HA -0.092 4.172 4.350 -0.144 0.000 0.194 570 E C 2.117 178.728 176.600 0.017 0.000 0.995 570 E CA 2.209 58.619 56.400 0.016 0.000 0.825 570 E CB -1.479 28.229 29.700 0.013 0.000 0.777 570 E HN 0.826 nan 8.360 nan 0.000 0.459 571 E N 0.441 120.652 120.200 0.020 0.000 2.171 571 E HA 0.016 4.280 4.350 -0.144 0.000 0.197 571 E C 2.465 179.082 176.600 0.027 0.000 0.997 571 E CA 1.617 58.030 56.400 0.021 0.000 0.810 571 E CB -1.253 28.461 29.700 0.023 0.000 0.738 571 E HN 0.653 nan 8.360 nan 0.000 0.467 572 G N -0.178 108.642 108.800 0.033 0.000 2.464 572 G HA2 0.045 3.919 3.960 -0.144 0.000 0.217 572 G HA3 0.045 3.919 3.960 -0.144 0.000 0.217 572 G C 1.941 176.863 174.900 0.036 0.000 1.138 572 G CA 1.681 46.808 45.100 0.045 0.000 0.793 572 G HN 0.816 nan 8.290 nan 0.000 0.539 573 K N 0.347 120.761 120.400 0.023 0.000 2.103 573 K HA 0.171 4.405 4.320 -0.144 0.000 0.204 573 K C 2.506 179.102 176.600 -0.007 0.000 1.052 573 K CA 1.923 58.214 56.287 0.007 0.000 0.945 573 K CB -1.050 31.452 32.500 0.004 0.000 0.722 573 K HN 0.549 nan 8.250 nan 0.000 0.443 574 K N 0.305 120.706 120.400 0.001 0.000 2.439 574 K HA 0.483 4.717 4.320 -0.144 0.000 0.197 574 K C 2.529 179.128 176.600 -0.002 0.000 1.041 574 K CA 1.448 57.733 56.287 -0.003 0.000 0.970 574 K CB -1.283 31.219 32.500 0.003 0.000 0.773 574 K HN 0.718 nan 8.250 nan 0.000 0.479 575 L N -0.512 120.715 121.223 0.008 0.000 2.145 575 L HA 0.209 4.463 4.340 -0.144 0.000 0.201 575 L C 2.758 179.625 176.870 -0.006 0.000 1.075 575 L CA 1.427 56.277 54.840 0.017 0.000 0.773 575 L CB -1.052 41.033 42.059 0.043 0.000 0.936 575 L HN 0.243 nan 8.230 nan 0.000 0.451 576 V N 0.568 120.471 119.914 -0.018 0.000 2.343 576 V HA -0.210 3.824 4.120 -0.144 0.000 0.247 576 V C 3.135 179.141 176.094 -0.146 0.000 1.051 576 V CA 1.790 64.041 62.300 -0.082 0.000 1.036 576 V CB -1.257 30.526 31.823 -0.067 0.000 0.654 576 V HN 0.758 nan 8.190 nan 0.000 0.451 577 A N 0.569 123.327 122.820 -0.102 0.000 1.841 577 A HA -0.168 4.066 4.320 -0.144 0.000 0.216 577 A C 2.413 179.951 177.584 -0.076 0.000 1.199 577 A CA 2.287 54.265 52.037 -0.099 0.000 0.621 577 A CB -1.153 17.810 19.000 -0.063 0.000 0.835 577 A HN 0.626 nan 8.150 nan 0.000 0.445 578 A N -1.124 121.670 122.820 -0.044 0.000 2.186 578 A HA 0.318 4.552 4.320 -0.144 0.000 0.219 578 A C 1.566 179.137 177.584 -0.023 0.000 1.159 578 A CA 1.830 53.852 52.037 -0.025 0.000 0.680 578 A CB -1.196 17.800 19.000 -0.007 0.000 0.787 578 A HN 1.029 nan 8.150 nan 0.000 0.467 579 S N 0.000 115.674 115.700 -0.044 0.000 2.498 579 S HA 0.000 4.384 4.470 -0.144 0.000 0.327 579 S CA 0.000 58.179 58.200 -0.034 0.000 1.107 579 S CB 0.000 63.178 63.200 -0.037 0.000 0.593 579 S HN 0.000 nan 8.310 nan 0.000 0.517