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 3lu6_1_B DATA FIRST_RESID 5 DATA SEQUENCE SEVAHRFKDL GEENFKALVL IAFAQYLQQC PFEDHVKLVN EVTEFAKTcV DATA SEQUENCE ADESAENcDK SLHTLFGDKL cTVATLRETY GEMADccAKQ EPERNEcFLQ DATA SEQUENCE HKDDNPNLPR LVRPEVDVMc TAFHDNEETF LKKYLYEIAR RHPYFYAPEL DATA SEQUENCE LFFAKRYKAA FTEccQAADK AAcLLPKLDE LRDEGKASSA KQRLKcASLQ DATA SEQUENCE KFGERAFKAW AVARLSQRFP KAEFAEVSKL VTDLTKVHTE ccHGDLLEcA DATA SEQUENCE DDRADLAKYI cENQDSISSK LKEccEKPLL EKSHcIAEVE NDEMPADLPS DATA SEQUENCE LAADFVESKD VcKNYAEAKD VFLGMFLYEY ARRHPDYSVV LLLRLAKTYE DATA SEQUENCE TTLEKccAAA DPHEcYAKVF DEFKPLVEEP QNLIKQNcEL FEQLGEYKFQ DATA SEQUENCE NALLVRYTKK VPQVSTPTLV EVSRNLGKVG SKccKHPEAK RMPcAEDYLS DATA SEQUENCE VVLNQLcVLH EKTPVSDRVT KccTESLVNR RPcFSALEVD ETYVPKEFNA DATA SEQUENCE ETFTFHADIc TLSEKERQIK KQTALVELVK HKPKATKEQL KAVMDDFAAF DATA SEQUENCE VEKccKADDK ETcFAEEGKK LVAASQAA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 5 S HA 0.000 nan 4.470 nan 0.000 0.327 5 S C 0.000 174.639 174.600 0.065 0.000 1.055 5 S CA 0.000 58.223 58.200 0.039 0.000 1.107 5 S CB 0.000 63.215 63.200 0.026 0.000 0.593 6 E N 2.738 122.976 120.200 0.063 0.000 2.158 6 E HA 0.045 4.412 4.350 0.027 0.000 0.191 6 E C 1.778 178.469 176.600 0.151 0.000 0.982 6 E CA 1.527 57.976 56.400 0.082 0.000 0.823 6 E CB 0.040 29.748 29.700 0.013 0.000 0.766 6 E HN 0.530 nan 8.360 nan 0.000 0.468 7 V N 0.092 120.100 119.914 0.157 0.000 2.407 7 V HA -0.197 3.939 4.120 0.027 0.000 0.248 7 V C 2.017 178.273 176.094 0.270 0.000 1.055 7 V CA 2.038 64.498 62.300 0.267 0.000 1.049 7 V CB -0.459 31.539 31.823 0.292 0.000 0.662 7 V HN 0.400 nan 8.190 nan 0.000 0.455 8 A N -1.138 121.778 122.820 0.160 0.000 1.898 8 A HA -0.262 4.075 4.320 0.027 0.000 0.216 8 A C 2.259 179.976 177.584 0.221 0.000 1.181 8 A CA 1.824 53.943 52.037 0.136 0.000 0.620 8 A CB -1.074 17.965 19.000 0.063 0.000 0.819 8 A HN 0.785 nan 8.150 nan 0.000 0.442 9 H N -0.536 118.603 119.070 0.116 0.000 2.353 9 H HA -0.099 4.473 4.556 0.027 0.000 0.300 9 H C 2.210 177.621 175.328 0.138 0.000 1.090 9 H CA 1.585 57.694 56.048 0.101 0.000 1.327 9 H CB 0.109 29.909 29.762 0.062 0.000 1.383 9 H HN 0.252 nan 8.280 nan 0.000 0.508 10 R N 0.136 120.750 120.500 0.190 0.000 2.057 10 R HA -0.125 4.232 4.340 0.027 0.000 0.229 10 R C 2.389 178.858 176.300 0.281 0.000 1.136 10 R CA 0.838 57.043 56.100 0.175 0.000 0.952 10 R CB -1.482 28.956 30.300 0.229 0.000 0.848 10 R HN 0.319 nan 8.270 nan 0.000 0.430 11 F N 2.380 122.508 119.950 0.296 0.000 2.120 11 F HA -0.245 4.298 4.527 0.027 0.000 0.300 11 F C 2.189 178.014 175.800 0.042 0.000 1.095 11 F CA 1.722 59.830 58.000 0.180 0.000 1.249 11 F CB 0.040 38.955 39.000 -0.141 0.000 0.995 11 F HN -0.059 nan 8.300 nan 0.000 0.480 12 K N -0.286 120.207 120.400 0.156 0.000 2.057 12 K HA -0.172 4.164 4.320 0.027 0.000 0.207 12 K C 1.652 178.205 176.600 -0.079 0.000 1.049 12 K CA 1.666 57.970 56.287 0.027 0.000 0.931 12 K CB -0.273 32.252 32.500 0.043 0.000 0.714 12 K HN 0.256 nan 8.250 nan 0.000 0.440 13 D N 0.317 120.647 120.400 -0.117 0.000 2.234 13 D HA -0.024 4.632 4.640 0.027 0.000 0.205 13 D C 1.803 178.050 176.300 -0.088 0.000 0.962 13 D CA 0.851 54.772 54.000 -0.132 0.000 0.855 13 D CB 0.249 40.921 40.800 -0.213 0.000 0.951 13 D HN 0.153 nan 8.370 nan 0.000 0.500 14 L N -0.871 120.304 121.223 -0.079 0.000 2.362 14 L HA 0.334 4.690 4.340 0.027 0.000 0.204 14 L C 1.145 177.946 176.870 -0.116 0.000 1.060 14 L CA 0.332 55.133 54.840 -0.065 0.000 0.827 14 L CB -0.034 42.012 42.059 -0.022 0.000 1.027 14 L HN 0.025 nan 8.230 nan 0.000 0.474 15 G N 0.404 109.061 108.800 -0.239 0.000 2.570 15 G HA2 -0.188 3.789 3.960 0.027 0.000 0.686 15 G HA3 -0.188 3.789 3.960 0.027 0.000 0.686 15 G C 0.164 174.760 174.900 -0.507 0.000 1.257 15 G CA 0.001 44.868 45.100 -0.388 0.000 0.846 15 G HN 0.173 nan 8.290 nan 0.000 0.627 16 E N -0.022 119.780 120.200 -0.663 0.000 2.049 16 E HA -0.208 4.159 4.350 0.027 0.000 0.198 16 E C 2.012 178.589 176.600 -0.038 0.000 1.007 16 E CA 2.126 58.288 56.400 -0.397 0.000 0.809 16 E CB -0.063 29.565 29.700 -0.120 0.000 0.749 16 E HN 0.709 nan 8.360 nan 0.000 0.450 17 E N 0.096 120.272 120.200 -0.040 0.000 2.012 17 E HA -0.186 4.180 4.350 0.027 0.000 0.197 17 E C 2.039 178.660 176.600 0.036 0.000 1.007 17 E CA 1.446 57.856 56.400 0.018 0.000 0.816 17 E CB -0.123 29.580 29.700 0.006 0.000 0.762 17 E HN 0.251 nan 8.360 nan 0.000 0.451 18 N N 0.153 118.859 118.700 0.010 0.000 2.381 18 N HA -0.116 4.641 4.740 0.027 0.000 0.182 18 N C 1.446 176.965 175.510 0.015 0.000 1.025 18 N CA 0.518 53.572 53.050 0.007 0.000 0.888 18 N CB -0.267 38.215 38.487 -0.008 0.000 0.965 18 N HN 0.099 nan 8.380 nan 0.000 0.438 19 F N 2.239 122.130 119.950 -0.099 0.000 2.051 19 F HA -0.128 4.416 4.527 0.028 0.000 0.296 19 F C 2.042 177.822 175.800 -0.033 0.000 1.122 19 F CA 1.559 59.535 58.000 -0.040 0.000 1.201 19 F CB -0.146 38.851 39.000 -0.004 0.000 0.978 19 F HN -0.135 nan 8.300 nan 0.000 0.472 20 K N 0.100 120.716 120.400 0.360 0.000 2.044 20 K HA -0.202 4.135 4.320 0.027 0.000 0.210 20 K C 2.250 178.836 176.600 -0.023 0.000 1.049 20 K CA 1.428 57.832 56.287 0.195 0.000 0.927 20 K CB -0.693 31.901 32.500 0.156 0.000 0.713 20 K HN 0.389 nan 8.250 nan 0.000 0.443 21 A N 1.142 123.949 122.820 -0.021 0.000 1.972 21 A HA -0.108 4.229 4.320 0.027 0.000 0.219 21 A C 2.007 179.507 177.584 -0.140 0.000 1.169 21 A CA 1.171 53.174 52.037 -0.056 0.000 0.635 21 A CB -0.405 18.589 19.000 -0.009 0.000 0.810 21 A HN 0.192 nan 8.150 nan 0.000 0.446 22 L N -0.785 120.323 121.223 -0.192 0.000 2.418 22 L HA -0.034 4.322 4.340 0.027 0.000 0.218 22 L C 2.131 178.750 176.870 -0.419 0.000 1.125 22 L CA 0.285 54.973 54.840 -0.252 0.000 0.835 22 L CB 0.014 41.941 42.059 -0.221 0.000 0.953 22 L HN 0.257 nan 8.230 nan 0.000 0.454 23 V N -0.496 119.074 119.914 -0.573 0.000 2.426 23 V HA -0.194 3.943 4.120 0.027 0.000 0.242 23 V C 2.222 177.713 176.094 -1.004 0.000 1.036 23 V CA 0.831 62.537 62.300 -0.990 0.000 1.044 23 V CB -0.066 31.115 31.823 -1.071 0.000 0.688 23 V HN 0.283 nan 8.190 nan 0.000 0.462 24 L N 0.612 121.480 121.223 -0.592 0.000 2.021 24 L HA -0.220 4.136 4.340 0.027 0.000 0.215 24 L C 2.148 178.820 176.870 -0.330 0.000 1.074 24 L CA 2.201 56.808 54.840 -0.388 0.000 0.760 24 L CB -0.613 41.331 42.059 -0.192 0.000 0.889 24 L HN 0.264 nan 8.230 nan 0.000 0.433 25 I N -0.586 119.810 120.570 -0.289 0.000 2.202 25 I HA -0.260 3.926 4.170 0.027 0.000 0.242 25 I C 2.645 178.610 176.117 -0.253 0.000 1.091 25 I CA 1.145 62.317 61.300 -0.215 0.000 1.368 25 I CB -0.791 37.111 38.000 -0.163 0.000 1.058 25 I HN 0.377 nan 8.210 nan 0.000 0.410 26 A N 1.293 123.894 122.820 -0.364 0.000 1.873 26 A HA -0.227 4.110 4.320 0.027 0.000 0.218 26 A C 2.130 179.492 177.584 -0.370 0.000 1.193 26 A CA 1.793 53.584 52.037 -0.410 0.000 0.629 26 A CB -0.954 17.736 19.000 -0.515 0.000 0.826 26 A HN 0.340 nan 8.150 nan 0.000 0.447 27 F N -0.046 119.574 119.950 -0.549 0.000 2.171 27 F HA -0.038 4.505 4.527 0.026 0.000 0.300 27 F C 2.845 178.337 175.800 -0.514 0.000 1.090 27 F CA 0.260 57.941 58.000 -0.532 0.000 1.293 27 F CB -1.367 37.324 39.000 -0.514 0.000 1.013 27 F HN 0.302 nan 8.300 nan 0.000 0.486 28 A N -0.201 122.438 122.820 -0.302 0.000 1.898 28 A HA -0.196 4.140 4.320 0.027 0.000 0.216 28 A C 2.175 179.708 177.584 -0.085 0.000 1.181 28 A CA 1.336 53.230 52.037 -0.237 0.000 0.620 28 A CB -0.828 18.097 19.000 -0.125 0.000 0.819 28 A HN 0.408 nan 8.150 nan 0.000 0.442 29 Q N -1.713 118.053 119.800 -0.055 0.000 2.170 29 Q HA -0.185 4.172 4.340 0.027 0.000 0.203 29 Q C 1.871 177.945 176.000 0.124 0.000 0.976 29 Q CA 1.580 57.394 55.803 0.019 0.000 0.858 29 Q CB -0.278 28.474 28.738 0.023 0.000 0.907 29 Q HN 0.782 nan 8.270 nan 0.000 0.433 30 Y N 0.483 120.691 120.300 -0.153 0.000 2.117 30 Y HA -0.049 4.516 4.550 0.026 0.000 0.277 30 Y C 1.163 176.981 175.900 -0.137 0.000 1.104 30 Y CA 0.567 58.550 58.100 -0.194 0.000 1.089 30 Y CB -0.284 37.962 38.460 -0.358 0.000 0.999 30 Y HN -0.009 nan 8.280 nan 0.000 0.480 31 L N 2.028 123.288 121.223 0.061 0.000 2.389 31 L HA 0.132 4.488 4.340 0.027 0.000 0.265 31 L C 0.929 177.929 176.870 0.216 0.000 1.167 31 L CA 0.032 54.930 54.840 0.097 0.000 1.045 31 L CB 0.286 42.401 42.059 0.093 0.000 1.351 31 L HN 0.336 nan 8.230 nan 0.000 0.419 32 Q N 0.233 120.119 119.800 0.144 0.000 2.230 32 Q HA -0.113 4.243 4.340 0.027 0.000 0.202 32 Q C 1.272 177.359 176.000 0.145 0.000 0.963 32 Q CA 1.002 56.870 55.803 0.107 0.000 0.866 32 Q CB 0.283 29.048 28.738 0.044 0.000 0.931 32 Q HN 0.590 nan 8.270 nan 0.000 0.452 33 Q N -0.755 119.176 119.800 0.217 0.000 2.360 33 Q HA 0.076 4.432 4.340 0.027 0.000 0.202 33 Q C 0.130 176.289 176.000 0.266 0.000 0.915 33 Q CA 0.066 55.982 55.803 0.189 0.000 0.943 33 Q CB 0.114 28.923 28.738 0.119 0.000 1.064 33 Q HN 0.225 nan 8.270 nan 0.000 0.511 34 C N 3.171 122.717 119.300 0.410 0.000 2.452 34 C HA 0.511 4.987 4.460 0.027 0.000 0.379 34 C C -2.233 172.924 174.990 0.278 0.000 1.275 34 C CA -1.509 57.709 59.018 0.334 0.000 2.056 34 C CB 0.446 28.297 27.740 0.186 0.000 2.506 34 C HN 0.198 nan 8.230 nan 0.000 0.560 35 P HA 0.236 nan 4.420 nan 0.000 0.281 35 P C 0.497 177.792 177.300 -0.009 0.000 1.264 35 P CA -0.504 62.709 63.100 0.188 0.000 0.824 35 P CB 0.380 32.137 31.700 0.095 0.000 1.092 36 F N 2.232 121.921 119.950 -0.435 0.000 2.045 36 F HA -0.318 4.225 4.527 0.027 0.000 0.297 36 F C 2.038 177.640 175.800 -0.329 0.000 1.114 36 F CA 2.335 59.828 58.000 -0.845 0.000 1.207 36 F CB -0.459 38.033 39.000 -0.847 0.000 0.964 36 F HN 0.370 nan 8.300 nan 0.000 0.486 37 E N -0.006 120.080 120.200 -0.190 0.000 2.077 37 E HA -0.247 4.120 4.350 0.027 0.000 0.193 37 E C 1.752 178.214 176.600 -0.230 0.000 0.989 37 E CA 1.761 58.032 56.400 -0.215 0.000 0.800 37 E CB -1.155 28.543 29.700 -0.005 0.000 0.746 37 E HN 0.483 nan 8.360 nan 0.000 0.452 38 D N 0.546 120.828 120.400 -0.197 0.000 2.182 38 D HA -0.149 4.507 4.640 0.027 0.000 0.201 38 D C 1.840 178.000 176.300 -0.234 0.000 0.986 38 D CA 1.189 55.063 54.000 -0.209 0.000 0.847 38 D CB -0.163 40.496 40.800 -0.235 0.000 0.942 38 D HN 0.309 nan 8.370 nan 0.000 0.467 39 H N -0.648 118.316 119.070 -0.177 0.000 2.512 39 H HA 0.106 4.679 4.556 0.028 0.000 0.279 39 H C 2.113 177.311 175.328 -0.217 0.000 0.999 39 H CA 0.251 56.217 56.048 -0.138 0.000 1.283 39 H CB -0.069 29.630 29.762 -0.104 0.000 1.421 39 H HN 0.070 nan 8.280 nan 0.000 0.554 40 V N 0.914 120.651 119.914 -0.294 0.000 2.358 40 V HA -0.209 3.927 4.120 0.027 0.000 0.246 40 V C 2.574 178.605 176.094 -0.105 0.000 1.047 40 V CA 1.636 63.769 62.300 -0.278 0.000 1.035 40 V CB -0.267 31.324 31.823 -0.386 0.000 0.658 40 V HN 0.263 nan 8.190 nan 0.000 0.452 41 K N -0.034 120.318 120.400 -0.081 0.000 2.026 41 K HA -0.146 4.190 4.320 0.027 0.000 0.208 41 K C 2.104 178.721 176.600 0.028 0.000 1.048 41 K CA 1.555 57.826 56.287 -0.027 0.000 0.929 41 K CB -0.209 32.269 32.500 -0.037 0.000 0.713 41 K HN 0.388 nan 8.250 nan 0.000 0.439 42 L N 0.340 121.605 121.223 0.069 0.000 2.017 42 L HA -0.193 4.163 4.340 0.027 0.000 0.208 42 L C 2.388 179.399 176.870 0.235 0.000 1.073 42 L CA 0.914 55.850 54.840 0.160 0.000 0.745 42 L CB -0.733 41.448 42.059 0.204 0.000 0.894 42 L HN 0.020 nan 8.230 nan 0.000 0.432 43 V N 0.600 120.617 119.914 0.172 0.000 2.231 43 V HA -0.336 3.800 4.120 0.027 0.000 0.250 43 V C 2.313 178.462 176.094 0.092 0.000 1.058 43 V CA 2.323 64.639 62.300 0.027 0.000 1.022 43 V CB -0.806 30.965 31.823 -0.086 0.000 0.640 43 V HN 0.501 nan 8.190 nan 0.000 0.445 44 N N -0.086 118.651 118.700 0.062 0.000 2.205 44 N HA -0.172 4.584 4.740 0.027 0.000 0.186 44 N C 1.826 177.386 175.510 0.083 0.000 1.015 44 N CA 1.483 54.571 53.050 0.062 0.000 0.862 44 N CB -0.315 38.190 38.487 0.029 0.000 0.986 44 N HN 0.635 nan 8.380 nan 0.000 0.429 45 E N -0.084 120.173 120.200 0.095 0.000 2.152 45 E HA -0.019 4.347 4.350 0.027 0.000 0.192 45 E C 1.861 178.563 176.600 0.169 0.000 0.983 45 E CA 0.417 56.881 56.400 0.106 0.000 0.818 45 E CB 0.169 29.914 29.700 0.075 0.000 0.758 45 E HN 0.049 nan 8.360 nan 0.000 0.467 46 V N 0.841 120.882 119.914 0.213 0.000 2.307 46 V HA -0.223 3.914 4.120 0.027 0.000 0.245 46 V C 2.226 178.511 176.094 0.320 0.000 1.045 46 V CA 2.039 64.531 62.300 0.321 0.000 1.024 46 V CB -0.502 31.549 31.823 0.378 0.000 0.651 46 V HN 0.319 nan 8.190 nan 0.000 0.449 47 T N -0.366 114.327 114.554 0.232 0.000 2.788 47 T HA -0.222 4.144 4.350 0.027 0.000 0.268 47 T C 1.843 176.510 174.700 -0.055 0.000 1.044 47 T CA 1.769 63.905 62.100 0.060 0.000 1.139 47 T CB -0.170 68.765 68.868 0.112 0.000 0.867 47 T HN 0.712 nan 8.240 nan 0.000 0.454 48 E N 0.297 120.515 120.200 0.030 0.000 2.058 48 E HA -0.190 4.177 4.350 0.027 0.000 0.194 48 E C 1.936 178.532 176.600 -0.006 0.000 0.997 48 E CA 1.201 57.603 56.400 0.003 0.000 0.801 48 E CB -0.371 29.359 29.700 0.050 0.000 0.746 48 E HN 0.477 nan 8.360 nan 0.000 0.450 49 F N 1.112 121.031 119.950 -0.051 0.000 2.102 49 F HA -0.105 4.438 4.527 0.027 0.000 0.298 49 F C 2.182 177.912 175.800 -0.117 0.000 1.105 49 F CA 1.683 59.656 58.000 -0.045 0.000 1.239 49 F CB -0.684 38.333 39.000 0.028 0.000 0.991 49 F HN 0.158 nan 8.300 nan 0.000 0.474 50 A N 0.238 122.996 122.820 -0.103 0.000 1.908 50 A HA -0.253 4.084 4.320 0.027 0.000 0.218 50 A C 2.241 179.434 177.584 -0.652 0.000 1.181 50 A CA 2.004 53.831 52.037 -0.350 0.000 0.627 50 A CB -0.764 17.936 19.000 -0.499 0.000 0.818 50 A HN 0.469 nan 8.150 nan 0.000 0.445 51 K N -0.761 119.230 120.400 -0.683 0.000 2.209 51 K HA -0.131 4.205 4.320 0.027 0.000 0.204 51 K C 2.200 178.552 176.600 -0.414 0.000 1.048 51 K CA 1.658 57.570 56.287 -0.625 0.000 0.940 51 K CB -0.349 31.890 32.500 -0.435 0.000 0.729 51 K HN 0.747 nan 8.250 nan 0.000 0.451 52 T N -1.379 112.932 114.554 -0.406 0.000 2.904 52 T HA -0.106 4.260 4.350 0.027 0.000 0.267 52 T C 2.143 176.633 174.700 -0.351 0.000 1.059 52 T CA 1.056 62.945 62.100 -0.351 0.000 1.137 52 T CB -0.426 68.221 68.868 -0.369 0.000 0.879 52 T HN 0.219 nan 8.240 nan 0.000 0.467 53 c N 0.924 119.265 118.600 -0.432 0.000 2.464 53 c HA 0.212 4.799 4.570 0.027 0.000 0.278 53 c C 2.854 176.830 174.090 -0.190 0.000 1.375 53 c CA 0.040 56.187 56.329 -0.304 0.000 1.761 53 c CB -0.975 41.362 42.510 -0.289 0.000 1.944 53 c HN 0.476 nan 8.230 nan 0.000 0.509 54 V N 1.435 121.214 119.914 -0.225 0.000 2.453 54 V HA -0.134 4.002 4.120 0.027 0.000 0.247 54 V C 2.676 178.713 176.094 -0.095 0.000 1.048 54 V CA 2.107 64.330 62.300 -0.129 0.000 1.049 54 V CB -1.153 30.579 31.823 -0.152 0.000 0.672 54 V HN 0.571 nan 8.190 nan 0.000 0.457 55 A N -0.658 122.083 122.820 -0.131 0.000 1.872 55 A HA -0.098 4.238 4.320 0.027 0.000 0.214 55 A C 1.239 178.777 177.584 -0.076 0.000 1.187 55 A CA 1.601 53.582 52.037 -0.094 0.000 0.614 55 A CB -0.104 18.830 19.000 -0.110 0.000 0.826 55 A HN 0.515 nan 8.150 nan 0.000 0.442 56 D N -1.352 118.990 120.400 -0.096 0.000 2.686 56 D HA 0.340 4.996 4.640 0.027 0.000 0.249 56 D C -0.254 175.997 176.300 -0.082 0.000 1.260 56 D CA -0.354 53.602 54.000 -0.074 0.000 0.910 56 D CB 1.220 41.979 40.800 -0.068 0.000 1.323 56 D HN 0.282 nan 8.370 nan 0.000 0.561 57 E N 0.937 121.105 120.200 -0.053 0.000 2.502 57 E HA 0.053 4.419 4.350 0.027 0.000 0.194 57 E C 0.805 177.388 176.600 -0.028 0.000 1.062 57 E CA 0.178 56.553 56.400 -0.041 0.000 0.867 57 E CB 0.483 30.173 29.700 -0.016 0.000 0.888 57 E HN 0.207 nan 8.360 nan 0.000 0.510 58 S N 0.420 116.102 115.700 -0.030 0.000 2.502 58 S HA 0.178 4.665 4.470 0.027 0.000 0.215 58 S C 0.718 175.310 174.600 -0.012 0.000 1.009 58 S CA -0.264 57.927 58.200 -0.015 0.000 0.908 58 S CB 0.643 63.836 63.200 -0.012 0.000 0.801 58 S HN 0.246 nan 8.310 nan 0.000 0.505 59 A N 1.732 124.530 122.820 -0.035 0.000 2.401 59 A HA 0.552 4.889 4.320 0.027 0.000 0.259 59 A C 0.744 178.333 177.584 0.009 0.000 1.103 59 A CA -0.209 51.810 52.037 -0.031 0.000 0.789 59 A CB -0.004 18.951 19.000 -0.074 0.000 1.035 59 A HN 0.264 nan 8.150 nan 0.000 0.491 60 E N 1.082 121.314 120.200 0.053 0.000 3.304 60 E HA -0.259 4.107 4.350 0.027 0.000 0.365 60 E C 0.234 176.936 176.600 0.169 0.000 1.512 60 E CA 2.156 58.633 56.400 0.128 0.000 1.642 60 E CB -0.699 29.132 29.700 0.218 0.000 1.738 60 E HN 0.773 nan 8.360 nan 0.000 0.483 61 N N -0.027 118.867 118.700 0.323 0.000 2.327 61 N HA 0.104 4.860 4.740 0.027 0.000 0.231 61 N C 0.431 176.135 175.510 0.323 0.000 1.130 61 N CA 0.630 53.836 53.050 0.260 0.000 0.845 61 N CB -0.239 38.327 38.487 0.132 0.000 1.073 61 N HN 0.255 nan 8.380 nan 0.000 0.496 62 c N 0.819 119.570 118.600 0.253 0.000 2.456 62 c HA -0.071 4.516 4.570 0.027 0.000 0.279 62 c C 1.955 176.113 174.090 0.113 0.000 1.427 62 c CA 0.420 56.850 56.329 0.169 0.000 1.778 62 c CB -0.716 41.796 42.510 0.004 0.000 1.842 62 c HN 0.535 nan 8.230 nan 0.000 0.531 63 D N 0.426 120.877 120.400 0.085 0.000 2.340 63 D HA -0.021 4.635 4.640 0.027 0.000 0.220 63 D C 0.581 176.908 176.300 0.045 0.000 1.039 63 D CA 0.271 54.301 54.000 0.050 0.000 0.866 63 D CB -0.419 40.400 40.800 0.032 0.000 0.913 63 D HN 0.366 nan 8.370 nan 0.000 0.523 64 K N 0.762 121.201 120.400 0.065 0.000 2.276 64 K HA 0.167 4.503 4.320 0.027 0.000 0.259 64 K C 0.599 177.207 176.600 0.013 0.000 1.001 64 K CA -0.159 56.152 56.287 0.040 0.000 0.927 64 K CB 0.669 33.194 32.500 0.042 0.000 0.969 64 K HN 0.170 nan 8.250 nan 0.000 0.490 65 S N 1.631 117.326 115.700 -0.008 0.000 2.580 65 S HA 0.090 4.577 4.470 0.027 0.000 0.274 65 S C 1.378 175.909 174.600 -0.115 0.000 1.329 65 S CA -0.621 57.546 58.200 -0.055 0.000 1.036 65 S CB 0.515 63.697 63.200 -0.030 0.000 0.919 65 S HN 0.559 nan 8.310 nan 0.000 0.515 66 L N 1.247 122.323 121.223 -0.246 0.000 2.129 66 L HA -0.158 4.198 4.340 0.027 0.000 0.212 66 L C 2.550 179.161 176.870 -0.432 0.000 1.087 66 L CA 1.406 55.923 54.840 -0.537 0.000 0.757 66 L CB -0.791 40.888 42.059 -0.634 0.000 0.896 66 L HN 0.768 nan 8.230 nan 0.000 0.434 67 H N -0.402 118.570 119.070 -0.163 0.000 2.321 67 H HA -0.113 4.457 4.556 0.024 0.000 0.300 67 H C 2.430 177.799 175.328 0.069 0.000 1.087 67 H CA 1.876 57.938 56.048 0.023 0.000 1.319 67 H CB -0.623 29.187 29.762 0.080 0.000 1.379 67 H HN 0.270 nan 8.280 nan 0.000 0.501 68 T N 1.290 115.942 114.554 0.163 0.000 2.777 68 T HA -0.063 4.303 4.350 0.027 0.000 0.266 68 T C 2.477 177.232 174.700 0.092 0.000 1.040 68 T CA 0.820 62.985 62.100 0.109 0.000 1.141 68 T CB -0.356 68.550 68.868 0.064 0.000 0.868 68 T HN 0.154 nan 8.240 nan 0.000 0.444 69 L N -0.335 120.918 121.223 0.049 0.000 2.046 69 L HA -0.043 4.314 4.340 0.027 0.000 0.208 69 L C 2.409 179.468 176.870 0.315 0.000 1.077 69 L CA 1.231 56.126 54.840 0.092 0.000 0.747 69 L CB -0.448 41.637 42.059 0.044 0.000 0.896 69 L HN 0.206 nan 8.230 nan 0.000 0.432 70 F N -0.164 119.880 119.950 0.156 0.000 2.149 70 F HA 0.050 4.594 4.527 0.027 0.000 0.294 70 F C 2.516 178.326 175.800 0.017 0.000 1.095 70 F CA 0.814 58.923 58.000 0.181 0.000 1.276 70 F CB -1.693 37.482 39.000 0.291 0.000 1.023 70 F HN -0.016 nan 8.300 nan 0.000 0.480 71 G N -0.365 108.623 108.800 0.313 0.000 2.422 71 G HA2 -0.239 3.738 3.960 0.027 0.000 0.218 71 G HA3 -0.239 3.738 3.960 0.027 0.000 0.218 71 G C 1.345 176.356 174.900 0.186 0.000 1.146 71 G CA 0.977 46.269 45.100 0.320 0.000 0.769 71 G HN 0.213 nan 8.290 nan 0.000 0.547 72 D N 0.436 120.906 120.400 0.116 0.000 2.156 72 D HA -0.133 4.523 4.640 0.027 0.000 0.190 72 D C 2.325 178.621 176.300 -0.008 0.000 0.998 72 D CA 1.427 55.453 54.000 0.044 0.000 0.842 72 D CB -0.126 40.687 40.800 0.022 0.000 0.974 72 D HN 0.218 nan 8.370 nan 0.000 0.447 73 K N 0.086 120.465 120.400 -0.035 0.000 2.152 73 K HA -0.037 4.300 4.320 0.027 0.000 0.206 73 K C 2.030 178.493 176.600 -0.227 0.000 1.048 73 K CA 0.774 56.996 56.287 -0.109 0.000 0.933 73 K CB -0.320 32.139 32.500 -0.068 0.000 0.721 73 K HN 0.160 nan 8.250 nan 0.000 0.447 74 L N -0.497 120.538 121.223 -0.312 0.000 2.141 74 L HA -0.175 4.181 4.340 0.027 0.000 0.209 74 L C 1.946 178.733 176.870 -0.138 0.000 1.094 74 L CA 0.675 55.307 54.840 -0.347 0.000 0.763 74 L CB -0.262 41.508 42.059 -0.482 0.000 0.908 74 L HN 0.247 nan 8.230 nan 0.000 0.437 75 c N -0.357 118.228 118.600 -0.026 0.000 2.539 75 c HA -0.038 4.549 4.570 0.027 0.000 0.271 75 c C 2.625 176.688 174.090 -0.044 0.000 1.412 75 c CA 1.118 57.448 56.329 0.002 0.000 1.729 75 c CB -1.341 41.186 42.510 0.029 0.000 1.739 75 c HN 0.623 nan 8.230 nan 0.000 0.570 76 T N -3.392 111.120 114.554 -0.069 0.000 3.081 76 T HA 0.071 4.438 4.350 0.027 0.000 0.250 76 T C 1.194 175.852 174.700 -0.069 0.000 1.100 76 T CA 0.768 62.832 62.100 -0.060 0.000 1.038 76 T CB -0.082 68.752 68.868 -0.056 0.000 0.962 76 T HN 0.288 nan 8.240 nan 0.000 0.516 77 V N 0.664 120.511 119.914 -0.112 0.000 3.263 77 V HA 0.418 4.554 4.120 0.027 0.000 0.248 77 V C 3.016 178.995 176.094 -0.191 0.000 1.145 77 V CA 0.581 62.805 62.300 -0.126 0.000 1.107 77 V CB -0.632 31.075 31.823 -0.193 0.000 0.797 77 V HN 0.540 nan 8.190 nan 0.000 0.467 78 A N 0.277 122.950 122.820 -0.245 0.000 2.015 78 A HA -0.123 4.214 4.320 0.027 0.000 0.219 78 A C 1.781 179.324 177.584 -0.069 0.000 1.163 78 A CA 1.713 53.577 52.037 -0.288 0.000 0.646 78 A CB -0.799 18.098 19.000 -0.171 0.000 0.806 78 A HN 0.472 nan 8.150 nan 0.000 0.448 79 T N 0.801 115.339 114.554 -0.027 0.000 4.354 79 T HA 0.355 4.722 4.350 0.027 0.000 0.234 79 T C 0.204 174.941 174.700 0.062 0.000 0.798 79 T CA 0.530 62.638 62.100 0.015 0.000 0.885 79 T CB -0.810 68.057 68.868 -0.002 0.000 1.350 79 T HN 0.316 nan 8.240 nan 0.000 0.755 80 L N 0.786 122.094 121.223 0.142 0.000 3.425 80 L HA 0.254 4.611 4.340 0.027 0.000 0.330 80 L C 1.897 178.866 176.870 0.165 0.000 1.317 80 L CA -0.537 54.394 54.840 0.152 0.000 0.940 80 L CB 0.260 42.432 42.059 0.187 0.000 1.378 80 L HN 0.271 nan 8.230 nan 0.000 0.611 81 R N -0.071 120.514 120.500 0.140 0.000 2.276 81 R HA -0.248 4.109 4.340 0.027 0.000 0.243 81 R C 1.336 177.680 176.300 0.073 0.000 1.161 81 R CA 1.773 57.953 56.100 0.134 0.000 1.007 81 R CB -0.319 30.024 30.300 0.071 0.000 0.867 81 R HN 0.496 nan 8.270 nan 0.000 0.472 82 E N 1.124 121.343 120.200 0.032 0.000 2.147 82 E HA -0.149 4.218 4.350 0.027 0.000 0.199 82 E C -0.081 176.495 176.600 -0.040 0.000 1.005 82 E CA 1.691 58.088 56.400 -0.005 0.000 0.810 82 E CB 0.178 29.869 29.700 -0.015 0.000 0.736 82 E HN 0.398 nan 8.360 nan 0.000 0.460 83 T N -0.195 114.299 114.554 -0.100 0.000 3.630 83 T HA 0.238 4.605 4.350 0.027 0.000 0.238 83 T C -1.108 173.346 174.700 -0.409 0.000 1.195 83 T CA -0.446 61.525 62.100 -0.215 0.000 1.433 83 T CB 0.288 68.997 68.868 -0.265 0.000 0.940 83 T HN 0.136 nan 8.240 nan 0.000 0.641 84 Y N 0.240 120.540 120.300 -0.000 0.000 3.307 84 Y HA 0.475 5.041 4.550 0.028 0.000 0.183 84 Y C 1.633 177.532 175.900 -0.001 0.000 0.998 84 Y CA 0.457 58.557 58.100 0.001 0.000 1.715 84 Y CB 0.029 38.488 38.460 -0.003 0.000 1.432 84 Y HN 0.538 nan 8.280 nan 0.000 0.339 85 G N 0.771 109.670 108.800 0.165 0.000 2.893 85 G HA2 -0.187 3.790 3.960 0.027 0.000 0.222 85 G HA3 -0.187 3.790 3.960 0.027 0.000 0.222 85 G C -0.234 174.690 174.900 0.040 0.000 1.345 85 G CA -0.091 45.058 45.100 0.080 0.000 1.129 85 G HN 0.129 nan 8.290 nan 0.000 0.560 86 E N 1.338 121.552 120.200 0.022 0.000 2.434 86 E HA 0.301 4.668 4.350 0.027 0.000 0.243 86 E C 1.063 177.538 176.600 -0.209 0.000 1.250 86 E CA -0.421 55.966 56.400 -0.021 0.000 1.568 86 E CB 0.140 29.880 29.700 0.066 0.000 1.435 86 E HN 0.361 nan 8.360 nan 0.000 0.432 87 M N -0.953 118.509 119.600 -0.231 0.000 2.571 87 M HA 0.202 4.699 4.480 0.027 0.000 0.259 87 M C 1.923 178.060 176.300 -0.272 0.000 1.205 87 M CA 0.308 55.381 55.300 -0.379 0.000 1.138 87 M CB -0.655 31.830 32.600 -0.191 0.000 1.329 87 M HN 0.155 nan 8.290 nan 0.000 0.503 88 A N 0.971 123.694 122.820 -0.161 0.000 2.239 88 A HA -0.062 4.275 4.320 0.027 0.000 0.209 88 A C 1.392 178.890 177.584 -0.143 0.000 1.171 88 A CA 0.892 52.849 52.037 -0.133 0.000 0.768 88 A CB -0.696 18.261 19.000 -0.072 0.000 0.790 88 A HN 0.365 nan 8.150 nan 0.000 0.478 89 D N 0.313 120.616 120.400 -0.162 0.000 2.092 89 D HA -0.166 4.490 4.640 0.027 0.000 0.193 89 D C 1.915 178.095 176.300 -0.200 0.000 0.994 89 D CA 1.760 55.676 54.000 -0.139 0.000 0.828 89 D CB -0.958 39.784 40.800 -0.098 0.000 0.963 89 D HN 0.518 nan 8.370 nan 0.000 0.450 90 c N 0.459 118.862 118.600 -0.329 0.000 2.422 90 c HA -0.092 4.495 4.570 0.027 0.000 0.279 90 c C 2.986 176.799 174.090 -0.461 0.000 1.305 90 c CA -0.169 55.867 56.329 -0.489 0.000 1.757 90 c CB -1.185 40.786 42.510 -0.899 0.000 1.962 90 c HN 0.422 nan 8.230 nan 0.000 0.499 91 c N 1.069 119.468 118.600 -0.335 0.000 2.464 91 c HA 0.170 4.757 4.570 0.027 0.000 0.278 91 c C 2.560 176.572 174.090 -0.131 0.000 1.375 91 c CA 0.717 56.930 56.329 -0.193 0.000 1.761 91 c CB -1.442 41.002 42.510 -0.110 0.000 1.944 91 c HN 0.673 nan 8.230 nan 0.000 0.509 92 A N 0.305 123.050 122.820 -0.126 0.000 2.426 92 A HA 0.239 4.576 4.320 0.027 0.000 0.247 92 A C 0.322 177.853 177.584 -0.088 0.000 1.389 92 A CA 0.785 52.769 52.037 -0.088 0.000 1.129 92 A CB -0.482 18.474 19.000 -0.073 0.000 0.928 92 A HN 0.680 nan 8.150 nan 0.000 0.557 93 K N 0.162 120.500 120.400 -0.104 0.000 2.565 93 K HA 0.258 4.595 4.320 0.027 0.000 0.251 93 K C -0.934 175.618 176.600 -0.081 0.000 0.956 93 K CA -0.441 55.787 56.287 -0.098 0.000 0.809 93 K CB 1.761 34.181 32.500 -0.134 0.000 1.267 93 K HN 0.505 nan 8.250 nan 0.000 0.438 94 Q N 1.214 120.984 119.800 -0.051 0.000 2.394 94 Q HA 0.077 4.434 4.340 0.027 0.000 0.248 94 Q C -0.480 175.507 176.000 -0.022 0.000 0.992 94 Q CA -0.104 55.682 55.803 -0.029 0.000 0.888 94 Q CB 0.747 29.475 28.738 -0.017 0.000 1.257 94 Q HN 0.322 nan 8.270 nan 0.000 0.462 95 E N 2.153 122.354 120.200 0.001 0.000 2.313 95 E HA 0.111 4.478 4.350 0.027 0.000 0.276 95 E C -1.832 174.790 176.600 0.036 0.000 1.031 95 E CA -1.526 54.888 56.400 0.024 0.000 0.857 95 E CB 0.705 30.441 29.700 0.061 0.000 1.040 95 E HN 0.346 nan 8.360 nan 0.000 0.408 96 P HA 0.179 nan 4.420 nan 0.000 0.254 96 P C 0.002 177.307 177.300 0.009 0.000 1.494 96 P CA -0.004 63.126 63.100 0.050 0.000 0.961 96 P CB 0.675 32.434 31.700 0.098 0.000 1.493 97 E N 0.639 120.828 120.200 -0.019 0.000 2.204 97 E HA -0.112 4.254 4.350 0.027 0.000 0.194 97 E C 2.162 178.699 176.600 -0.106 0.000 0.989 97 E CA 0.787 57.159 56.400 -0.047 0.000 0.824 97 E CB -0.099 29.571 29.700 -0.051 0.000 0.756 97 E HN 0.189 nan 8.360 nan 0.000 0.477 98 R N 0.038 120.456 120.500 -0.137 0.000 2.055 98 R HA -0.099 4.257 4.340 0.027 0.000 0.228 98 R C 2.135 178.295 176.300 -0.232 0.000 1.143 98 R CA 1.642 57.575 56.100 -0.279 0.000 0.945 98 R CB -0.298 29.867 30.300 -0.225 0.000 0.841 98 R HN 0.086 nan 8.270 nan 0.000 0.429 99 N N 0.523 119.170 118.700 -0.089 0.000 2.069 99 N HA -0.245 4.511 4.740 0.027 0.000 0.191 99 N C 1.609 177.087 175.510 -0.054 0.000 1.031 99 N CA 1.988 55.008 53.050 -0.048 0.000 0.852 99 N CB -0.162 38.126 38.487 -0.332 0.000 1.018 99 N HN 0.265 nan 8.380 nan 0.000 0.423 100 E N -0.430 119.748 120.200 -0.037 0.000 2.118 100 E HA -0.163 4.203 4.350 0.027 0.000 0.195 100 E C 2.084 178.645 176.600 -0.065 0.000 0.992 100 E CA 1.191 57.570 56.400 -0.035 0.000 0.804 100 E CB -0.710 29.002 29.700 0.020 0.000 0.741 100 E HN 0.497 nan 8.360 nan 0.000 0.458 101 c N -0.772 117.776 118.600 -0.087 0.000 2.489 101 c HA -0.024 4.562 4.570 0.027 0.000 0.279 101 c C 2.286 176.397 174.090 0.034 0.000 1.266 101 c CA 0.405 56.706 56.329 -0.046 0.000 1.707 101 c CB -1.432 40.984 42.510 -0.156 0.000 2.059 101 c HN 0.496 nan 8.230 nan 0.000 0.481 102 F N 1.659 121.517 119.950 -0.155 0.000 2.091 102 F HA -0.123 4.420 4.527 0.026 0.000 0.299 102 F C 2.132 177.632 175.800 -0.501 0.000 1.103 102 F CA 1.821 59.595 58.000 -0.376 0.000 1.228 102 F CB -1.116 37.545 39.000 -0.564 0.000 0.984 102 F HN 0.206 nan 8.300 nan 0.000 0.477 103 L N -0.863 120.203 121.223 -0.261 0.000 2.093 103 L HA -0.220 4.137 4.340 0.027 0.000 0.208 103 L C 2.411 179.208 176.870 -0.121 0.000 1.085 103 L CA 1.419 56.094 54.840 -0.275 0.000 0.755 103 L CB -0.894 41.025 42.059 -0.234 0.000 0.904 103 L HN 0.140 nan 8.230 nan 0.000 0.435 104 Q N -0.387 119.369 119.800 -0.073 0.000 2.226 104 Q HA -0.224 4.132 4.340 0.027 0.000 0.204 104 Q C 1.734 177.637 176.000 -0.162 0.000 0.975 104 Q CA 1.536 57.281 55.803 -0.097 0.000 0.866 104 Q CB 0.053 28.712 28.738 -0.131 0.000 0.915 104 Q HN 0.574 nan 8.270 nan 0.000 0.440 105 H N -0.530 118.501 119.070 -0.066 0.000 2.548 105 H HA 0.200 4.773 4.556 0.028 0.000 0.265 105 H C -0.231 175.079 175.328 -0.030 0.000 0.969 105 H CA 0.004 56.030 56.048 -0.038 0.000 1.155 105 H CB 0.366 30.113 29.762 -0.025 0.000 1.394 105 H HN 0.004 nan 8.280 nan 0.000 0.570 106 K N 1.880 122.293 120.400 0.023 0.000 2.504 106 K HA -0.081 4.256 4.320 0.027 0.000 0.278 106 K C -0.423 176.226 176.600 0.082 0.000 1.025 106 K CA 0.276 56.568 56.287 0.008 0.000 1.093 106 K CB 0.239 32.682 32.500 -0.096 0.000 0.873 106 K HN 0.185 nan 8.250 nan 0.000 0.483 107 D N 2.541 122.979 120.400 0.063 0.000 2.317 107 D HA 0.057 4.713 4.640 0.027 0.000 0.234 107 D C 0.172 176.511 176.300 0.065 0.000 1.112 107 D CA -0.269 53.764 54.000 0.056 0.000 0.840 107 D CB 0.999 41.820 40.800 0.034 0.000 1.078 107 D HN 0.383 nan 8.370 nan 0.000 0.486 108 D N 2.397 122.841 120.400 0.073 0.000 2.363 108 D HA -0.055 4.601 4.640 0.027 0.000 0.220 108 D C 0.176 176.458 176.300 -0.029 0.000 0.994 108 D CA 0.592 54.623 54.000 0.051 0.000 0.890 108 D CB 0.268 41.086 40.800 0.030 0.000 0.906 108 D HN 0.494 nan 8.370 nan 0.000 0.530 109 N N 0.435 119.117 118.700 -0.030 0.000 2.732 109 N HA 0.075 4.831 4.740 0.027 0.000 0.230 109 N C -2.919 172.570 175.510 -0.035 0.000 1.487 109 N CA -0.880 52.139 53.050 -0.052 0.000 0.765 109 N CB 1.308 39.771 38.487 -0.039 0.000 1.384 109 N HN -0.197 nan 8.380 nan 0.000 0.530 110 P HA 0.183 nan 4.420 nan 0.000 0.275 110 P C -0.990 176.295 177.300 -0.024 0.000 1.228 110 P CA -0.264 62.824 63.100 -0.020 0.000 0.786 110 P CB 0.705 32.395 31.700 -0.016 0.000 0.927 111 N N 2.059 120.752 118.700 -0.012 0.000 2.421 111 N HA 0.217 4.974 4.740 0.027 0.000 0.260 111 N C -0.500 175.003 175.510 -0.013 0.000 1.173 111 N CA 0.361 53.404 53.050 -0.012 0.000 0.960 111 N CB -0.574 37.909 38.487 -0.006 0.000 1.273 111 N HN 0.340 nan 8.380 nan 0.000 0.497 112 L N 2.893 124.104 121.223 -0.020 0.000 2.381 112 L HA 0.483 4.839 4.340 0.027 0.000 0.274 112 L C -1.964 174.897 176.870 -0.015 0.000 0.988 112 L CA -2.071 52.757 54.840 -0.019 0.000 0.824 112 L CB 1.884 43.922 42.059 -0.035 0.000 1.263 112 L HN 0.206 nan 8.230 nan 0.000 0.410 113 P HA -0.039 nan 4.420 nan 0.000 0.255 113 P C -0.394 176.904 177.300 -0.003 0.000 1.161 113 P CA 0.091 63.190 63.100 -0.002 0.000 0.768 113 P CB 0.217 31.919 31.700 0.003 0.000 0.746 114 R N 3.622 124.122 120.500 -0.000 0.000 2.446 114 R HA 0.032 4.388 4.340 0.027 0.000 0.314 114 R C 0.160 176.465 176.300 0.008 0.000 1.003 114 R CA -0.652 55.450 56.100 0.003 0.000 1.018 114 R CB -0.100 30.206 30.300 0.009 0.000 0.945 114 R HN 0.376 nan 8.270 nan 0.000 0.419 115 L N 5.814 127.041 121.223 0.005 0.000 2.706 115 L HA -0.063 4.293 4.340 0.027 0.000 0.282 115 L C -0.581 176.304 176.870 0.025 0.000 1.219 115 L CA 0.894 55.741 54.840 0.012 0.000 0.935 115 L CB 0.532 42.594 42.059 0.004 0.000 1.204 115 L HN 0.353 nan 8.230 nan 0.000 0.491 116 V N 7.468 127.399 119.914 0.027 0.000 2.350 116 V HA 0.469 4.605 4.120 0.027 0.000 0.276 116 V C 0.271 176.393 176.094 0.046 0.000 1.028 116 V CA -0.674 61.647 62.300 0.034 0.000 0.860 116 V CB 0.751 32.590 31.823 0.027 0.000 0.990 116 V HN 0.999 nan 8.190 nan 0.000 0.453 117 R N 6.897 127.432 120.500 0.059 0.000 2.340 117 R HA 0.635 4.992 4.340 0.027 0.000 0.300 117 R C -2.433 173.913 176.300 0.077 0.000 1.069 117 R CA -1.217 54.932 56.100 0.081 0.000 0.984 117 R CB 0.299 30.662 30.300 0.104 0.000 1.003 117 R HN 0.553 nan 8.270 nan 0.000 0.459 118 P HA 0.164 nan 4.420 nan 0.000 0.302 118 P C -0.790 176.559 177.300 0.081 0.000 1.307 118 P CA -0.784 62.363 63.100 0.078 0.000 0.754 118 P CB 0.481 32.230 31.700 0.083 0.000 1.298 119 E N -0.985 119.253 120.200 0.064 0.000 2.408 119 E HA 0.032 4.399 4.350 0.027 0.000 0.259 119 E C 1.218 177.850 176.600 0.053 0.000 1.110 119 E CA -0.417 56.011 56.400 0.047 0.000 0.929 119 E CB 0.345 30.065 29.700 0.033 0.000 0.971 119 E HN 0.021 nan 8.360 nan 0.000 0.438 120 V N 2.410 122.333 119.914 0.015 0.000 2.287 120 V HA -0.288 3.849 4.120 0.027 0.000 0.248 120 V C 1.454 177.539 176.094 -0.015 0.000 1.053 120 V CA 1.975 64.258 62.300 -0.027 0.000 1.027 120 V CB -0.432 31.340 31.823 -0.086 0.000 0.646 120 V HN 0.680 nan 8.190 nan 0.000 0.447 121 D N 0.056 120.455 120.400 -0.002 0.000 2.133 121 D HA -0.157 4.500 4.640 0.027 0.000 0.195 121 D C 2.143 178.469 176.300 0.043 0.000 0.997 121 D CA 1.548 55.557 54.000 0.015 0.000 0.840 121 D CB -0.269 40.541 40.800 0.017 0.000 0.947 121 D HN 0.369 nan 8.370 nan 0.000 0.452 122 V N 0.831 120.780 119.914 0.060 0.000 2.427 122 V HA -0.207 3.929 4.120 0.027 0.000 0.248 122 V C 2.453 178.623 176.094 0.127 0.000 1.051 122 V CA 1.283 63.634 62.300 0.085 0.000 1.048 122 V CB -0.314 31.561 31.823 0.087 0.000 0.666 122 V HN 0.205 nan 8.190 nan 0.000 0.456 123 M N -1.382 118.318 119.600 0.167 0.000 2.248 123 M HA -0.102 4.394 4.480 0.027 0.000 0.265 123 M C 2.325 178.746 176.300 0.202 0.000 1.079 123 M CA 1.327 56.810 55.300 0.306 0.000 1.150 123 M CB -0.534 32.369 32.600 0.505 0.000 1.366 123 M HN 0.348 nan 8.290 nan 0.000 0.433 124 c N 0.356 119.007 118.600 0.085 0.000 2.432 124 c HA -0.076 4.511 4.570 0.027 0.000 0.282 124 c C 2.809 176.839 174.090 -0.099 0.000 1.388 124 c CA 1.108 57.388 56.329 -0.081 0.000 1.777 124 c CB -1.086 41.327 42.510 -0.162 0.000 1.882 124 c HN 0.553 nan 8.230 nan 0.000 0.520 125 T N 1.105 115.681 114.554 0.036 0.000 2.812 125 T HA -0.068 4.299 4.350 0.027 0.000 0.264 125 T C 2.180 176.910 174.700 0.050 0.000 1.042 125 T CA 1.558 63.712 62.100 0.091 0.000 1.140 125 T CB -0.319 68.600 68.868 0.086 0.000 0.870 125 T HN 0.622 nan 8.240 nan 0.000 0.445 126 A N 0.916 123.760 122.820 0.039 0.000 1.930 126 A HA -0.001 4.336 4.320 0.027 0.000 0.217 126 A C 1.988 179.479 177.584 -0.155 0.000 1.175 126 A CA 1.162 53.226 52.037 0.045 0.000 0.627 126 A CB -0.907 18.228 19.000 0.225 0.000 0.815 126 A HN 0.481 nan 8.150 nan 0.000 0.443 127 F N 0.312 119.871 119.950 -0.652 0.000 2.186 127 F HA -0.141 4.402 4.527 0.027 0.000 0.299 127 F C 2.177 177.730 175.800 -0.413 0.000 1.090 127 F CA 2.088 59.528 58.000 -0.933 0.000 1.307 127 F CB -0.441 37.973 39.000 -0.976 0.000 1.019 127 F HN 0.437 nan 8.300 nan 0.000 0.489 128 H N -1.128 117.830 119.070 -0.186 0.000 2.333 128 H HA -0.122 4.451 4.556 0.028 0.000 0.302 128 H C 1.906 177.124 175.328 -0.182 0.000 1.075 128 H CA 1.120 57.055 56.048 -0.189 0.000 1.348 128 H CB -0.351 29.382 29.762 -0.049 0.000 1.393 128 H HN 0.331 nan 8.280 nan 0.000 0.509 129 D N 0.629 121.039 120.400 0.017 0.000 2.421 129 D HA -0.241 4.416 4.640 0.027 0.000 0.195 129 D C 0.494 176.764 176.300 -0.050 0.000 1.022 129 D CA 1.556 55.551 54.000 -0.008 0.000 0.871 129 D CB -0.001 40.806 40.800 0.012 0.000 1.026 129 D HN 0.160 nan 8.370 nan 0.000 0.462 130 N N -0.916 117.738 118.700 -0.077 0.000 2.701 130 N HA 0.023 4.779 4.740 0.027 0.000 0.258 130 N C -0.139 175.311 175.510 -0.101 0.000 1.262 130 N CA 0.002 53.010 53.050 -0.071 0.000 0.780 130 N CB 1.097 39.583 38.487 -0.002 0.000 1.380 130 N HN 0.490 nan 8.380 nan 0.000 0.548 131 E N 1.441 121.478 120.200 -0.271 0.000 2.204 131 E HA -0.162 4.205 4.350 0.027 0.000 0.195 131 E C 0.349 176.945 176.600 -0.007 0.000 0.990 131 E CA 1.134 57.329 56.400 -0.341 0.000 0.821 131 E CB 0.229 29.450 29.700 -0.798 0.000 0.750 131 E HN 0.364 nan 8.360 nan 0.000 0.477 132 E N 1.104 121.304 120.200 -0.001 0.000 2.031 132 E HA -0.145 4.222 4.350 0.027 0.000 0.193 132 E C 2.230 178.910 176.600 0.134 0.000 0.994 132 E CA 1.771 58.212 56.400 0.069 0.000 0.800 132 E CB -0.852 28.875 29.700 0.046 0.000 0.752 132 E HN 0.304 nan 8.360 nan 0.000 0.447 133 T N 1.210 115.843 114.554 0.132 0.000 2.881 133 T HA -0.102 4.264 4.350 0.027 0.000 0.270 133 T C 1.517 176.295 174.700 0.130 0.000 1.068 133 T CA 0.927 63.128 62.100 0.168 0.000 1.131 133 T CB -0.329 68.615 68.868 0.127 0.000 0.871 133 T HN 0.127 nan 8.240 nan 0.000 0.479 134 F N 1.186 121.134 119.950 -0.003 0.000 2.149 134 F HA 0.145 4.688 4.527 0.028 0.000 0.294 134 F C 1.842 177.701 175.800 0.098 0.000 1.095 134 F CA 0.975 58.980 58.000 0.008 0.000 1.276 134 F CB -0.199 38.805 39.000 0.006 0.000 1.023 134 F HN 0.012 nan 8.300 nan 0.000 0.480 135 L N 0.121 121.551 121.223 0.345 0.000 2.109 135 L HA -0.176 4.180 4.340 0.027 0.000 0.207 135 L C 2.378 179.366 176.870 0.197 0.000 1.086 135 L CA 1.210 56.232 54.840 0.303 0.000 0.760 135 L CB -0.675 41.564 42.059 0.300 0.000 0.910 135 L HN 0.036 nan 8.230 nan 0.000 0.437 136 K N 0.410 120.925 120.400 0.192 0.000 2.063 136 K HA -0.240 4.096 4.320 0.027 0.000 0.208 136 K C 2.131 178.886 176.600 0.260 0.000 1.048 136 K CA 1.385 57.810 56.287 0.230 0.000 0.928 136 K CB -0.097 32.592 32.500 0.316 0.000 0.713 136 K HN 0.024 nan 8.250 nan 0.000 0.442 137 K N 0.062 120.522 120.400 0.100 0.000 2.362 137 K HA -0.164 4.173 4.320 0.027 0.000 0.200 137 K C 1.789 178.357 176.600 -0.053 0.000 1.046 137 K CA 0.849 57.070 56.287 -0.109 0.000 0.952 137 K CB -0.105 32.116 32.500 -0.466 0.000 0.753 137 K HN 0.147 nan 8.250 nan 0.000 0.466 138 Y N 0.386 120.537 120.300 -0.248 0.000 2.231 138 Y HA -0.021 4.545 4.550 0.028 0.000 0.294 138 Y C 1.334 177.061 175.900 -0.289 0.000 1.120 138 Y CA 1.184 59.032 58.100 -0.420 0.000 1.141 138 Y CB -0.030 37.958 38.460 -0.785 0.000 1.022 138 Y HN -0.077 nan 8.280 nan 0.000 0.523 139 L N -0.838 120.298 121.223 -0.144 0.000 1.971 139 L HA -0.312 4.045 4.340 0.027 0.000 0.215 139 L C 2.402 179.174 176.870 -0.162 0.000 1.072 139 L CA 2.205 56.933 54.840 -0.187 0.000 0.758 139 L CB -1.381 40.657 42.059 -0.034 0.000 0.889 139 L HN 0.312 nan 8.230 nan 0.000 0.433 140 Y N 1.141 121.380 120.300 -0.102 0.000 2.102 140 Y HA -0.317 4.249 4.550 0.027 0.000 0.280 140 Y C 2.590 178.441 175.900 -0.080 0.000 1.178 140 Y CA 1.999 60.086 58.100 -0.022 0.000 1.146 140 Y CB -0.235 38.348 38.460 0.205 0.000 0.968 140 Y HN 0.214 nan 8.280 nan 0.000 0.504 141 E N -0.269 119.743 120.200 -0.313 0.000 2.076 141 E HA -0.109 4.258 4.350 0.027 0.000 0.190 141 E C 2.346 178.738 176.600 -0.347 0.000 0.979 141 E CA 0.977 57.122 56.400 -0.424 0.000 0.807 141 E CB -0.197 29.351 29.700 -0.253 0.000 0.761 141 E HN 0.442 nan 8.360 nan 0.000 0.454 142 I N 1.881 122.191 120.570 -0.434 0.000 2.099 142 I HA -0.253 3.934 4.170 0.027 0.000 0.239 142 I C 2.600 178.573 176.117 -0.239 0.000 1.066 142 I CA 1.261 62.303 61.300 -0.430 0.000 1.324 142 I CB -1.766 35.737 38.000 -0.829 0.000 1.037 142 I HN -0.049 nan 8.210 nan 0.000 0.401 143 A N 2.108 124.750 122.820 -0.297 0.000 1.881 143 A HA -0.298 4.038 4.320 0.027 0.000 0.219 143 A C 2.454 179.979 177.584 -0.098 0.000 1.215 143 A CA 3.099 55.037 52.037 -0.165 0.000 0.648 143 A CB -1.006 17.894 19.000 -0.167 0.000 0.832 143 A HN 0.595 nan 8.150 nan 0.000 0.455 144 R N -0.810 119.579 120.500 -0.184 0.000 2.120 144 R HA -0.078 4.278 4.340 0.027 0.000 0.234 144 R C 2.017 178.253 176.300 -0.106 0.000 1.123 144 R CA 1.593 57.601 56.100 -0.154 0.000 0.975 144 R CB -0.399 29.742 30.300 -0.265 0.000 0.866 144 R HN 0.502 nan 8.270 nan 0.000 0.446 145 R N -0.062 120.378 120.500 -0.100 0.000 2.236 145 R HA 0.090 4.446 4.340 0.027 0.000 0.208 145 R C 0.154 176.269 176.300 -0.309 0.000 1.036 145 R CA 0.666 56.678 56.100 -0.147 0.000 1.001 145 R CB 0.166 30.409 30.300 -0.095 0.000 0.896 145 R HN 0.429 nan 8.270 nan 0.000 0.464 146 H N 0.097 119.155 119.070 -0.020 0.000 2.607 146 H HA 0.144 4.716 4.556 0.027 0.000 0.248 146 H C -2.043 173.349 175.328 0.107 0.000 1.355 146 H CA -1.695 54.404 56.048 0.086 0.000 1.524 146 H CB 1.651 31.512 29.762 0.164 0.000 1.563 146 H HN 0.017 nan 8.280 nan 0.000 0.509 147 P HA -0.101 nan 4.420 nan 0.000 0.237 147 P C 0.313 177.543 177.300 -0.117 0.000 1.178 147 P CA 0.886 63.982 63.100 -0.006 0.000 0.766 147 P CB 0.145 31.791 31.700 -0.090 0.000 0.876 148 Y N -2.126 118.259 120.300 0.141 0.000 2.584 148 Y HA 0.289 4.854 4.550 0.025 0.000 0.254 148 Y C 0.942 176.936 175.900 0.156 0.000 1.177 148 Y CA -0.993 57.183 58.100 0.126 0.000 1.216 148 Y CB -0.386 38.112 38.460 0.063 0.000 1.172 148 Y HN -0.213 nan 8.280 nan 0.000 0.529 149 F N 0.871 120.924 119.950 0.171 0.000 2.607 149 F HA -0.021 4.523 4.527 0.028 0.000 0.374 149 F C 0.309 176.213 175.800 0.174 0.000 1.104 149 F CA -0.703 57.367 58.000 0.117 0.000 1.296 149 F CB 0.236 39.233 39.000 -0.006 0.000 1.085 149 F HN 0.040 nan 8.300 nan 0.000 0.584 150 Y N 6.469 126.672 120.300 -0.162 0.000 2.650 150 Y HA 0.268 4.835 4.550 0.028 0.000 0.342 150 Y C 0.861 176.910 175.900 0.249 0.000 1.110 150 Y CA -0.597 57.521 58.100 0.029 0.000 1.438 150 Y CB 0.452 38.868 38.460 -0.074 0.000 1.181 150 Y HN 0.723 nan 8.280 nan 0.000 0.526 151 A N 7.728 130.601 122.820 0.087 0.000 1.873 151 A HA -0.056 4.281 4.320 0.027 0.000 0.215 151 A C -0.405 177.126 177.584 -0.088 0.000 1.186 151 A CA 1.201 53.252 52.037 0.023 0.000 0.616 151 A CB -1.547 17.446 19.000 -0.010 0.000 0.823 151 A HN 0.640 nan 8.150 nan 0.000 0.442 152 P HA -0.176 nan 4.420 nan 0.000 0.215 152 P C 1.348 178.624 177.300 -0.040 0.000 1.157 152 P CA 1.319 64.281 63.100 -0.231 0.000 0.874 152 P CB -0.047 31.397 31.700 -0.427 0.000 0.790 153 E N -0.839 119.322 120.200 -0.065 0.000 2.110 153 E HA -0.153 4.214 4.350 0.027 0.000 0.193 153 E C 1.925 178.897 176.600 0.621 0.000 0.988 153 E CA 0.777 57.401 56.400 0.374 0.000 0.804 153 E CB -0.941 29.039 29.700 0.467 0.000 0.745 153 E HN 0.100 nan 8.360 nan 0.000 0.458 154 L N 1.318 122.822 121.223 0.469 0.000 2.013 154 L HA -0.205 4.151 4.340 0.027 0.000 0.212 154 L C 2.303 179.330 176.870 0.262 0.000 1.073 154 L CA 1.511 56.494 54.840 0.238 0.000 0.753 154 L CB -0.888 41.143 42.059 -0.047 0.000 0.890 154 L HN 0.118 nan 8.230 nan 0.000 0.432 155 L N -1.985 119.363 121.223 0.208 0.000 2.081 155 L HA -0.283 4.074 4.340 0.027 0.000 0.212 155 L C 2.513 179.536 176.870 0.255 0.000 1.080 155 L CA 1.640 56.589 54.840 0.183 0.000 0.754 155 L CB -0.869 41.264 42.059 0.122 0.000 0.893 155 L HN 0.286 nan 8.230 nan 0.000 0.433 156 F N 0.385 120.460 119.950 0.210 0.000 2.134 156 F HA -0.218 4.326 4.527 0.028 0.000 0.299 156 F C 2.172 178.070 175.800 0.164 0.000 1.097 156 F CA 1.341 59.442 58.000 0.169 0.000 1.264 156 F CB -0.311 38.801 39.000 0.186 0.000 1.001 156 F HN -0.143 nan 8.300 nan 0.000 0.479 157 F N 0.365 120.418 119.950 0.172 0.000 2.171 157 F HA -0.090 4.454 4.527 0.028 0.000 0.300 157 F C 2.566 178.426 175.800 0.100 0.000 1.090 157 F CA 1.208 59.278 58.000 0.116 0.000 1.293 157 F CB -1.364 37.775 39.000 0.231 0.000 1.013 157 F HN 0.055 nan 8.300 nan 0.000 0.486 158 A N -0.249 122.757 122.820 0.311 0.000 1.883 158 A HA -0.243 4.094 4.320 0.027 0.000 0.217 158 A C 2.291 179.948 177.584 0.122 0.000 1.186 158 A CA 1.825 54.009 52.037 0.246 0.000 0.624 158 A CB -0.738 18.393 19.000 0.217 0.000 0.822 158 A HN 0.305 nan 8.150 nan 0.000 0.444 159 K N -0.763 119.641 120.400 0.007 0.000 2.147 159 K HA -0.117 4.219 4.320 0.027 0.000 0.205 159 K C 2.329 178.836 176.600 -0.156 0.000 1.049 159 K CA 1.217 57.461 56.287 -0.072 0.000 0.936 159 K CB -0.115 32.313 32.500 -0.120 0.000 0.722 159 K HN 0.434 nan 8.250 nan 0.000 0.446 160 R N -0.904 119.429 120.500 -0.278 0.000 2.062 160 R HA -0.116 4.240 4.340 0.027 0.000 0.226 160 R C 2.256 178.484 176.300 -0.119 0.000 1.125 160 R CA 1.222 57.156 56.100 -0.277 0.000 0.966 160 R CB -0.462 29.572 30.300 -0.443 0.000 0.861 160 R HN 0.246 nan 8.270 nan 0.000 0.433 161 Y N 2.426 122.601 120.300 -0.209 0.000 2.114 161 Y HA -0.341 4.226 4.550 0.028 0.000 0.282 161 Y C 2.400 178.213 175.900 -0.146 0.000 1.165 161 Y CA 1.922 59.869 58.100 -0.254 0.000 1.148 161 Y CB -0.142 37.927 38.460 -0.651 0.000 0.972 161 Y HN -0.112 nan 8.280 nan 0.000 0.504 162 K N 0.062 120.431 120.400 -0.052 0.000 2.063 162 K HA -0.204 4.132 4.320 0.027 0.000 0.208 162 K C 2.216 178.775 176.600 -0.069 0.000 1.048 162 K CA 1.334 57.614 56.287 -0.012 0.000 0.928 162 K CB -0.454 32.118 32.500 0.120 0.000 0.713 162 K HN 0.419 nan 8.250 nan 0.000 0.442 163 A N 1.107 123.877 122.820 -0.083 0.000 1.902 163 A HA -0.076 4.260 4.320 0.027 0.000 0.217 163 A C 2.341 179.838 177.584 -0.145 0.000 1.181 163 A CA 1.788 53.770 52.037 -0.092 0.000 0.623 163 A CB -0.776 18.162 19.000 -0.102 0.000 0.818 163 A HN 0.493 nan 8.150 nan 0.000 0.443 164 A N -1.555 121.161 122.820 -0.174 0.000 1.978 164 A HA -0.068 4.269 4.320 0.027 0.000 0.220 164 A C 1.914 179.279 177.584 -0.365 0.000 1.170 164 A CA 1.510 53.416 52.037 -0.219 0.000 0.636 164 A CB -0.676 18.221 19.000 -0.172 0.000 0.810 164 A HN 0.517 nan 8.150 nan 0.000 0.448 165 F N -0.681 118.867 119.950 -0.670 0.000 2.664 165 F HA 0.005 4.549 4.527 0.027 0.000 0.296 165 F C 2.455 177.726 175.800 -0.882 0.000 1.125 165 F CA 1.278 58.659 58.000 -1.033 0.000 1.444 165 F CB 0.174 38.026 39.000 -1.913 0.000 1.114 165 F HN 0.129 nan 8.300 nan 0.000 0.576 166 T N -1.010 113.346 114.554 -0.330 0.000 2.937 166 T HA -0.122 4.245 4.350 0.027 0.000 0.260 166 T C 1.853 176.511 174.700 -0.070 0.000 1.051 166 T CA 1.018 63.091 62.100 -0.046 0.000 1.141 166 T CB -0.023 68.882 68.868 0.063 0.000 0.879 166 T HN 0.269 nan 8.240 nan 0.000 0.459 167 E N 0.021 120.144 120.200 -0.129 0.000 2.033 167 E HA -0.079 4.288 4.350 0.027 0.000 0.189 167 E C 1.687 178.200 176.600 -0.146 0.000 0.979 167 E CA 0.834 57.168 56.400 -0.111 0.000 0.802 167 E CB 0.006 29.640 29.700 -0.109 0.000 0.763 167 E HN 0.384 nan 8.360 nan 0.000 0.449 168 c N 0.443 118.899 118.600 -0.239 0.000 2.539 168 c HA 0.052 4.638 4.570 0.027 0.000 0.271 168 c C 1.951 175.881 174.090 -0.266 0.000 1.412 168 c CA -0.289 55.880 56.329 -0.266 0.000 1.729 168 c CB -1.356 40.932 42.510 -0.370 0.000 1.739 168 c HN 0.559 nan 8.230 nan 0.000 0.570 169 c N -0.896 117.571 118.600 -0.222 0.000 3.070 169 c HA 0.091 4.677 4.570 0.027 0.000 0.280 169 c C 2.290 176.386 174.090 0.009 0.000 1.264 169 c CA -0.027 56.229 56.329 -0.121 0.000 1.690 169 c CB -0.936 41.478 42.510 -0.160 0.000 2.049 169 c HN 0.585 nan 8.230 nan 0.000 0.636 170 Q N 1.225 121.018 119.800 -0.011 0.000 2.425 170 Q HA 0.253 4.609 4.340 0.027 0.000 0.204 170 Q C 0.929 176.914 176.000 -0.025 0.000 0.933 170 Q CA 0.192 55.996 55.803 0.002 0.000 0.939 170 Q CB 0.322 29.062 28.738 0.004 0.000 1.044 170 Q HN 0.693 nan 8.270 nan 0.000 0.513 171 A N -0.047 122.742 122.820 -0.052 0.000 2.302 171 A HA 0.540 4.877 4.320 0.027 0.000 0.285 171 A C 1.079 178.634 177.584 -0.047 0.000 1.105 171 A CA 0.422 52.425 52.037 -0.057 0.000 0.816 171 A CB 0.706 19.656 19.000 -0.083 0.000 1.067 171 A HN 0.244 nan 8.150 nan 0.000 0.489 172 A N 0.497 123.293 122.820 -0.040 0.000 1.855 172 A HA -0.008 4.328 4.320 0.027 0.000 0.215 172 A C 0.992 178.553 177.584 -0.038 0.000 1.191 172 A CA 1.782 53.800 52.037 -0.033 0.000 0.613 172 A CB -0.235 18.749 19.000 -0.028 0.000 0.829 172 A HN 0.735 nan 8.150 nan 0.000 0.442 173 D N -0.539 119.834 120.400 -0.045 0.000 2.499 173 D HA 0.298 4.954 4.640 0.027 0.000 0.225 173 D C 0.689 176.946 176.300 -0.072 0.000 1.124 173 D CA -0.173 53.797 54.000 -0.050 0.000 0.938 173 D CB 0.545 41.319 40.800 -0.043 0.000 1.014 173 D HN 0.271 nan 8.370 nan 0.000 0.517 174 K N 1.367 121.718 120.400 -0.082 0.000 2.113 174 K HA -0.171 4.166 4.320 0.027 0.000 0.208 174 K C 1.722 178.233 176.600 -0.147 0.000 1.047 174 K CA 1.545 57.758 56.287 -0.124 0.000 0.928 174 K CB 0.192 32.618 32.500 -0.123 0.000 0.716 174 K HN 0.345 nan 8.250 nan 0.000 0.446 175 A N 1.112 123.867 122.820 -0.109 0.000 1.878 175 A HA 0.086 4.423 4.320 0.027 0.000 0.213 175 A C 2.328 179.858 177.584 -0.090 0.000 1.192 175 A CA 1.193 53.167 52.037 -0.104 0.000 0.619 175 A CB -0.552 18.408 19.000 -0.068 0.000 0.837 175 A HN 0.279 nan 8.150 nan 0.000 0.446 176 A N -1.054 121.724 122.820 -0.070 0.000 2.070 176 A HA -0.182 4.154 4.320 0.027 0.000 0.220 176 A C 2.275 179.818 177.584 -0.069 0.000 1.159 176 A CA 1.640 53.643 52.037 -0.057 0.000 0.656 176 A CB -1.245 17.728 19.000 -0.045 0.000 0.800 176 A HN 0.732 nan 8.150 nan 0.000 0.453 177 c N -1.442 117.102 118.600 -0.094 0.000 2.489 177 c HA 0.074 4.661 4.570 0.027 0.000 0.279 177 c C 2.405 176.413 174.090 -0.137 0.000 1.266 177 c CA 1.253 57.515 56.329 -0.111 0.000 1.707 177 c CB -1.118 41.311 42.510 -0.135 0.000 2.059 177 c HN 0.583 nan 8.230 nan 0.000 0.481 178 L N 0.706 121.819 121.223 -0.184 0.000 2.034 178 L HA 0.159 4.516 4.340 0.027 0.000 0.203 178 L C 2.363 179.151 176.870 -0.137 0.000 1.074 178 L CA 1.724 56.420 54.840 -0.240 0.000 0.748 178 L CB -1.066 40.755 42.059 -0.397 0.000 0.905 178 L HN 0.367 nan 8.230 nan 0.000 0.439 179 L N -0.019 121.145 121.223 -0.098 0.000 2.010 179 L HA -0.249 4.108 4.340 0.027 0.000 0.219 179 L C -0.291 176.573 176.870 -0.010 0.000 1.077 179 L CA 2.128 56.947 54.840 -0.036 0.000 0.773 179 L CB -1.905 40.138 42.059 -0.026 0.000 0.892 179 L HN 0.285 nan 8.230 nan 0.000 0.436 180 P HA -0.123 nan 4.420 nan 0.000 0.221 180 P C 1.235 178.536 177.300 0.002 0.000 1.150 180 P CA 1.205 64.304 63.100 -0.002 0.000 0.800 180 P CB 0.058 31.751 31.700 -0.011 0.000 0.787 181 K N -0.560 119.826 120.400 -0.023 0.000 2.097 181 K HA -0.022 4.314 4.320 0.027 0.000 0.205 181 K C 1.955 178.574 176.600 0.032 0.000 1.050 181 K CA 1.017 57.293 56.287 -0.018 0.000 0.938 181 K CB -0.480 31.979 32.500 -0.067 0.000 0.718 181 K HN 0.141 nan 8.250 nan 0.000 0.442 182 L N 0.671 121.920 121.223 0.044 0.000 2.131 182 L HA -0.144 4.213 4.340 0.027 0.000 0.206 182 L C 1.516 178.467 176.870 0.135 0.000 1.087 182 L CA 1.008 55.920 54.840 0.122 0.000 0.767 182 L CB -0.449 41.689 42.059 0.132 0.000 0.917 182 L HN 0.182 nan 8.230 nan 0.000 0.441 183 D N 0.193 120.650 120.400 0.094 0.000 2.097 183 D HA -0.231 4.425 4.640 0.027 0.000 0.195 183 D C 1.948 178.315 176.300 0.112 0.000 0.989 183 D CA 1.079 55.137 54.000 0.096 0.000 0.827 183 D CB -0.127 40.714 40.800 0.067 0.000 0.966 183 D HN 0.285 nan 8.370 nan 0.000 0.456 184 E N 0.285 120.542 120.200 0.095 0.000 2.147 184 E HA -0.193 4.173 4.350 0.027 0.000 0.199 184 E C 2.160 178.855 176.600 0.159 0.000 1.005 184 E CA 0.713 57.175 56.400 0.105 0.000 0.810 184 E CB -0.106 29.635 29.700 0.069 0.000 0.736 184 E HN 0.253 nan 8.360 nan 0.000 0.460 185 L N 0.304 121.639 121.223 0.186 0.000 2.027 185 L HA -0.156 4.201 4.340 0.027 0.000 0.206 185 L C 2.994 180.069 176.870 0.341 0.000 1.074 185 L CA 1.156 56.174 54.840 0.297 0.000 0.745 185 L CB -0.543 41.711 42.059 0.325 0.000 0.898 185 L HN 0.187 nan 8.230 nan 0.000 0.433 186 R N 0.440 121.087 120.500 0.246 0.000 2.103 186 R HA -0.213 4.143 4.340 0.027 0.000 0.242 186 R C 1.682 178.094 176.300 0.186 0.000 1.142 186 R CA 2.212 58.426 56.100 0.191 0.000 0.960 186 R CB -0.308 30.084 30.300 0.153 0.000 0.858 186 R HN 0.357 nan 8.270 nan 0.000 0.439 187 D N 0.333 120.843 120.400 0.184 0.000 2.078 187 D HA -0.176 4.480 4.640 0.027 0.000 0.193 187 D C 1.774 178.212 176.300 0.230 0.000 0.990 187 D CA 1.390 55.495 54.000 0.176 0.000 0.827 187 D CB -0.417 40.471 40.800 0.147 0.000 0.975 187 D HN 0.382 nan 8.370 nan 0.000 0.451 188 E N -0.022 120.357 120.200 0.299 0.000 2.130 188 E HA -0.151 4.216 4.350 0.027 0.000 0.196 188 E C 2.007 178.948 176.600 0.569 0.000 0.998 188 E CA 1.376 58.031 56.400 0.425 0.000 0.806 188 E CB -0.217 29.738 29.700 0.426 0.000 0.738 188 E HN 0.292 nan 8.360 nan 0.000 0.459 189 G N 0.709 109.814 108.800 0.508 0.000 2.424 189 G HA2 -0.229 3.747 3.960 0.027 0.000 0.214 189 G HA3 -0.229 3.747 3.960 0.027 0.000 0.214 189 G C 1.396 176.372 174.900 0.127 0.000 1.202 189 G CA 0.643 45.840 45.100 0.162 0.000 0.793 189 G HN 0.126 nan 8.290 nan 0.000 0.534 190 K N 0.616 121.089 120.400 0.122 0.000 2.059 190 K HA -0.165 4.171 4.320 0.027 0.000 0.212 190 K C 2.895 179.558 176.600 0.104 0.000 1.050 190 K CA 1.340 57.699 56.287 0.119 0.000 0.927 190 K CB -0.326 32.258 32.500 0.140 0.000 0.714 190 K HN 0.267 nan 8.250 nan 0.000 0.447 191 A N 0.660 123.558 122.820 0.130 0.000 1.940 191 A HA -0.197 4.139 4.320 0.027 0.000 0.219 191 A C 2.226 179.842 177.584 0.052 0.000 1.176 191 A CA 2.110 54.218 52.037 0.118 0.000 0.631 191 A CB -0.613 18.484 19.000 0.162 0.000 0.814 191 A HN 0.295 nan 8.150 nan 0.000 0.446 192 S N -1.018 114.703 115.700 0.036 0.000 2.368 192 S HA -0.124 4.362 4.470 0.027 0.000 0.224 192 S C 2.340 176.737 174.600 -0.338 0.000 1.029 192 S CA 1.665 59.792 58.200 -0.121 0.000 0.988 192 S CB -0.442 62.667 63.200 -0.151 0.000 0.838 192 S HN 0.622 nan 8.310 nan 0.000 0.462 193 S N 0.909 116.417 115.700 -0.320 0.000 2.359 193 S HA -0.147 4.340 4.470 0.027 0.000 0.222 193 S C 2.102 176.630 174.600 -0.120 0.000 1.038 193 S CA 1.704 59.759 58.200 -0.242 0.000 1.051 193 S CB -0.929 62.359 63.200 0.147 0.000 0.944 193 S HN 0.685 nan 8.310 nan 0.000 0.433 194 A N 1.456 124.245 122.820 -0.051 0.000 1.859 194 A HA -0.200 4.136 4.320 0.027 0.000 0.217 194 A C 2.061 179.570 177.584 -0.124 0.000 1.198 194 A CA 2.094 54.091 52.037 -0.067 0.000 0.629 194 A CB -0.923 18.048 19.000 -0.049 0.000 0.830 194 A HN 0.645 nan 8.150 nan 0.000 0.446 195 K N -1.332 118.993 120.400 -0.125 0.000 2.052 195 K HA -0.305 4.032 4.320 0.027 0.000 0.215 195 K C 2.373 178.838 176.600 -0.226 0.000 1.053 195 K CA 2.068 58.256 56.287 -0.165 0.000 0.934 195 K CB -0.211 32.209 32.500 -0.132 0.000 0.717 195 K HN 0.471 nan 8.250 nan 0.000 0.450 196 Q N 0.823 120.488 119.800 -0.226 0.000 2.170 196 Q HA -0.142 4.214 4.340 0.027 0.000 0.203 196 Q C 1.894 177.791 176.000 -0.171 0.000 0.976 196 Q CA 1.469 57.135 55.803 -0.228 0.000 0.858 196 Q CB -0.093 28.522 28.738 -0.205 0.000 0.907 196 Q HN 0.095 nan 8.270 nan 0.000 0.433 197 R N -0.543 119.863 120.500 -0.156 0.000 2.096 197 R HA -0.099 4.257 4.340 0.027 0.000 0.235 197 R C 1.888 178.057 176.300 -0.218 0.000 1.127 197 R CA 1.019 57.004 56.100 -0.192 0.000 0.968 197 R CB -0.733 29.462 30.300 -0.175 0.000 0.861 197 R HN 0.369 nan 8.270 nan 0.000 0.440 198 L N 0.962 122.045 121.223 -0.233 0.000 2.042 198 L HA -0.163 4.193 4.340 0.027 0.000 0.210 198 L C 1.512 178.196 176.870 -0.309 0.000 1.076 198 L CA 1.921 56.586 54.840 -0.292 0.000 0.749 198 L CB -0.404 41.433 42.059 -0.371 0.000 0.893 198 L HN 0.126 nan 8.230 nan 0.000 0.432 199 K N -1.247 118.980 120.400 -0.288 0.000 2.001 199 K HA -0.142 4.194 4.320 0.027 0.000 0.208 199 K C 2.094 178.657 176.600 -0.063 0.000 1.048 199 K CA 1.735 57.910 56.287 -0.187 0.000 0.932 199 K CB -0.609 31.731 32.500 -0.266 0.000 0.715 199 K HN 0.438 nan 8.250 nan 0.000 0.437 200 c N 0.936 119.491 118.600 -0.075 0.000 2.429 200 c HA -0.053 4.533 4.570 0.027 0.000 0.277 200 c C 2.928 176.991 174.090 -0.045 0.000 1.262 200 c CA 0.541 56.859 56.329 -0.019 0.000 1.733 200 c CB -1.072 41.464 42.510 0.043 0.000 2.010 200 c HN 0.532 nan 8.230 nan 0.000 0.483 201 A N 1.491 124.243 122.820 -0.112 0.000 1.870 201 A HA -0.269 4.067 4.320 0.027 0.000 0.219 201 A C 2.249 179.877 177.584 0.073 0.000 1.224 201 A CA 2.890 54.889 52.037 -0.064 0.000 0.650 201 A CB -1.242 17.712 19.000 -0.078 0.000 0.836 201 A HN 0.583 nan 8.150 nan 0.000 0.454 202 S N -0.023 115.722 115.700 0.074 0.000 2.377 202 S HA -0.221 4.266 4.470 0.027 0.000 0.224 202 S C 1.873 176.629 174.600 0.259 0.000 1.042 202 S CA 1.729 60.053 58.200 0.206 0.000 1.086 202 S CB -0.770 62.458 63.200 0.046 0.000 0.995 202 S HN 0.475 nan 8.310 nan 0.000 0.428 203 L N 0.971 122.288 121.223 0.156 0.000 1.997 203 L HA -0.290 4.067 4.340 0.027 0.000 0.216 203 L C 2.855 179.775 176.870 0.083 0.000 1.074 203 L CA 1.735 56.636 54.840 0.100 0.000 0.763 203 L CB -0.563 41.500 42.059 0.007 0.000 0.890 203 L HN 0.411 nan 8.230 nan 0.000 0.434 204 Q N -0.679 119.146 119.800 0.043 0.000 2.061 204 Q HA -0.094 4.262 4.340 0.027 0.000 0.195 204 Q C 1.976 177.915 176.000 -0.102 0.000 0.967 204 Q CA 0.882 56.683 55.803 -0.003 0.000 0.829 204 Q CB 0.149 28.884 28.738 -0.004 0.000 0.900 204 Q HN 0.308 nan 8.270 nan 0.000 0.450 205 K N -0.442 119.814 120.400 -0.239 0.000 2.459 205 K HA 0.036 4.373 4.320 0.027 0.000 0.193 205 K C 0.654 176.696 176.600 -0.930 0.000 1.030 205 K CA 0.731 56.655 56.287 -0.605 0.000 1.026 205 K CB 0.383 32.377 32.500 -0.844 0.000 0.809 205 K HN 0.197 nan 8.250 nan 0.000 0.504 206 F N -0.196 119.777 119.950 0.039 0.000 2.815 206 F HA 0.295 4.834 4.527 0.020 0.000 0.328 206 F C 1.006 176.847 175.800 0.068 0.000 0.982 206 F CA 0.153 58.186 58.000 0.056 0.000 1.154 206 F CB 0.594 39.637 39.000 0.072 0.000 0.980 206 F HN 0.135 nan 8.300 nan 0.000 0.603 207 G N 1.517 110.443 108.800 0.210 0.000 2.663 207 G HA2 -0.176 3.800 3.960 0.027 0.000 0.686 207 G HA3 -0.176 3.800 3.960 0.027 0.000 0.686 207 G C 0.532 175.541 174.900 0.181 0.000 1.288 207 G CA -0.115 45.077 45.100 0.154 0.000 0.836 207 G HN 0.425 nan 8.290 nan 0.000 0.584 208 E N 0.064 120.346 120.200 0.137 0.000 2.107 208 E HA -0.092 4.275 4.350 0.027 0.000 0.191 208 E C 2.232 178.960 176.600 0.213 0.000 0.982 208 E CA 0.947 57.441 56.400 0.157 0.000 0.809 208 E CB -0.027 29.722 29.700 0.082 0.000 0.756 208 E HN 0.603 nan 8.360 nan 0.000 0.459 209 R N 0.727 121.329 120.500 0.169 0.000 2.159 209 R HA -0.272 4.084 4.340 0.027 0.000 0.249 209 R C 2.357 178.771 176.300 0.191 0.000 1.136 209 R CA 2.199 58.398 56.100 0.164 0.000 0.951 209 R CB -0.514 29.867 30.300 0.135 0.000 0.876 209 R HN 0.364 nan 8.270 nan 0.000 0.440 210 A N -0.065 122.882 122.820 0.212 0.000 1.873 210 A HA -0.171 4.165 4.320 0.027 0.000 0.215 210 A C 2.001 179.747 177.584 0.271 0.000 1.186 210 A CA 1.255 53.422 52.037 0.216 0.000 0.616 210 A CB -0.763 18.372 19.000 0.225 0.000 0.823 210 A HN 0.528 nan 8.150 nan 0.000 0.442 211 F N 0.854 120.886 119.950 0.136 0.000 2.069 211 F HA -0.201 4.341 4.527 0.025 0.000 0.298 211 F C 2.182 178.067 175.800 0.142 0.000 1.113 211 F CA 2.292 60.356 58.000 0.108 0.000 1.214 211 F CB -0.198 38.833 39.000 0.051 0.000 0.978 211 F HN 0.113 nan 8.300 nan 0.000 0.474 212 K N 0.387 121.030 120.400 0.404 0.000 2.059 212 K HA -0.278 4.058 4.320 0.027 0.000 0.212 212 K C 2.305 178.981 176.600 0.127 0.000 1.050 212 K CA 1.672 58.114 56.287 0.259 0.000 0.927 212 K CB -0.738 31.910 32.500 0.246 0.000 0.714 212 K HN 0.431 nan 8.250 nan 0.000 0.447 213 A N 1.102 124.003 122.820 0.135 0.000 1.883 213 A HA -0.211 4.125 4.320 0.027 0.000 0.217 213 A C 1.935 179.542 177.584 0.038 0.000 1.186 213 A CA 1.316 53.404 52.037 0.085 0.000 0.624 213 A CB -0.948 18.091 19.000 0.065 0.000 0.822 213 A HN 0.565 nan 8.150 nan 0.000 0.444 214 W N 0.440 121.649 121.300 -0.152 0.000 2.350 214 W HA -0.164 4.509 4.660 0.022 0.000 0.289 214 W C 2.424 178.783 176.519 -0.266 0.000 1.215 214 W CA 1.941 59.152 57.345 -0.223 0.000 1.236 214 W CB -0.357 28.930 29.460 -0.288 0.000 1.130 214 W HN 0.452 nan 8.180 nan 0.000 0.541 215 A N -0.483 122.295 122.820 -0.071 0.000 1.861 215 A HA -0.087 4.250 4.320 0.027 0.000 0.212 215 A C 2.079 179.655 177.584 -0.013 0.000 1.199 215 A CA 1.706 53.668 52.037 -0.125 0.000 0.613 215 A CB -1.112 17.737 19.000 -0.252 0.000 0.846 215 A HN -0.023 nan 8.150 nan 0.000 0.446 216 V N 0.572 120.510 119.914 0.040 0.000 2.370 216 V HA -0.346 3.791 4.120 0.027 0.000 0.252 216 V C 3.011 179.150 176.094 0.076 0.000 1.068 216 V CA 2.141 64.503 62.300 0.103 0.000 1.061 216 V CB -1.505 30.427 31.823 0.181 0.000 0.656 216 V HN 0.610 nan 8.190 nan 0.000 0.455 217 A N 0.060 122.883 122.820 0.006 0.000 1.865 217 A HA -0.217 4.119 4.320 0.027 0.000 0.217 217 A C 2.396 179.944 177.584 -0.061 0.000 1.191 217 A CA 1.802 53.805 52.037 -0.056 0.000 0.623 217 A CB -0.480 18.427 19.000 -0.155 0.000 0.826 217 A HN 0.442 nan 8.150 nan 0.000 0.444 218 R N -0.506 119.958 120.500 -0.059 0.000 2.092 218 R HA 0.026 4.382 4.340 0.027 0.000 0.231 218 R C 2.083 178.299 176.300 -0.140 0.000 1.119 218 R CA 1.042 57.094 56.100 -0.079 0.000 0.970 218 R CB -0.794 29.478 30.300 -0.047 0.000 0.864 218 R HN 0.561 nan 8.270 nan 0.000 0.440 219 L N 0.339 121.496 121.223 -0.111 0.000 2.156 219 L HA -0.072 4.284 4.340 0.027 0.000 0.208 219 L C 2.158 178.963 176.870 -0.108 0.000 1.095 219 L CA 1.006 55.734 54.840 -0.186 0.000 0.770 219 L CB -0.234 41.831 42.059 0.012 0.000 0.914 219 L HN 0.117 nan 8.230 nan 0.000 0.439 220 S N -0.877 114.842 115.700 0.031 0.000 2.414 220 S HA -0.121 4.365 4.470 0.027 0.000 0.227 220 S C 1.848 176.444 174.600 -0.006 0.000 1.022 220 S CA 0.667 58.935 58.200 0.113 0.000 0.958 220 S CB 0.017 63.330 63.200 0.189 0.000 0.797 220 S HN 0.414 nan 8.310 nan 0.000 0.493 221 Q N 0.816 120.578 119.800 -0.065 0.000 2.050 221 Q HA -0.103 4.254 4.340 0.027 0.000 0.202 221 Q C 2.393 178.338 176.000 -0.092 0.000 0.980 221 Q CA 1.304 57.059 55.803 -0.078 0.000 0.840 221 Q CB -0.126 28.564 28.738 -0.080 0.000 0.898 221 Q HN 0.369 nan 8.270 nan 0.000 0.424 222 R N -0.479 119.902 120.500 -0.198 0.000 2.075 222 R HA -0.047 4.309 4.340 0.027 0.000 0.226 222 R C 0.116 176.379 176.300 -0.062 0.000 1.114 222 R CA 0.811 56.747 56.100 -0.272 0.000 0.972 222 R CB 0.357 30.254 30.300 -0.672 0.000 0.869 222 R HN 0.062 nan 8.270 nan 0.000 0.437 223 F N 1.093 121.072 119.950 0.049 0.000 2.664 223 F HA 0.375 4.917 4.527 0.026 0.000 0.322 223 F C -1.830 174.020 175.800 0.083 0.000 1.324 223 F CA -3.244 54.794 58.000 0.062 0.000 1.154 223 F CB 1.261 40.306 39.000 0.076 0.000 1.236 223 F HN 0.001 nan 8.300 nan 0.000 0.532 224 P HA -0.128 nan 4.420 nan 0.000 0.230 224 P C 1.003 178.381 177.300 0.129 0.000 1.158 224 P CA 1.084 64.248 63.100 0.107 0.000 0.769 224 P CB 0.323 32.026 31.700 0.006 0.000 0.807 225 K N -0.055 120.430 120.400 0.141 0.000 2.296 225 K HA 0.130 4.466 4.320 0.027 0.000 0.200 225 K C 1.189 177.877 176.600 0.147 0.000 1.048 225 K CA 0.099 56.453 56.287 0.112 0.000 0.966 225 K CB -0.186 32.357 32.500 0.071 0.000 0.754 225 K HN 0.070 nan 8.250 nan 0.000 0.466 226 A N 2.665 125.603 122.820 0.196 0.000 2.520 226 A HA -0.031 4.305 4.320 0.027 0.000 0.245 226 A C 0.076 177.810 177.584 0.250 0.000 1.072 226 A CA 0.148 52.297 52.037 0.188 0.000 0.761 226 A CB 0.067 19.199 19.000 0.219 0.000 1.004 226 A HN 0.174 nan 8.150 nan 0.000 0.499 227 E N 0.829 121.113 120.200 0.141 0.000 2.392 227 E HA 0.099 4.465 4.350 0.027 0.000 0.256 227 E C 0.293 176.839 176.600 -0.090 0.000 1.145 227 E CA -0.225 56.243 56.400 0.115 0.000 0.929 227 E CB 0.404 30.154 29.700 0.084 0.000 0.998 227 E HN 0.695 nan 8.360 nan 0.000 0.442 228 F N 1.983 121.656 119.950 -0.461 0.000 2.171 228 F HA -0.153 4.388 4.527 0.024 0.000 0.300 228 F C 2.021 177.655 175.800 -0.277 0.000 1.090 228 F CA 1.649 59.207 58.000 -0.736 0.000 1.293 228 F CB -0.344 38.241 39.000 -0.691 0.000 1.013 228 F HN 0.582 nan 8.300 nan 0.000 0.486 229 A N -0.304 122.421 122.820 -0.159 0.000 1.958 229 A HA -0.299 4.038 4.320 0.027 0.000 0.221 229 A C 2.077 179.548 177.584 -0.189 0.000 1.178 229 A CA 2.204 54.149 52.037 -0.153 0.000 0.642 229 A CB -0.837 18.150 19.000 -0.023 0.000 0.816 229 A HN 0.483 nan 8.150 nan 0.000 0.453 230 E N -0.752 119.363 120.200 -0.142 0.000 2.086 230 E HA -0.013 4.354 4.350 0.027 0.000 0.190 230 E C 1.892 178.455 176.600 -0.061 0.000 0.975 230 E CA 1.051 57.423 56.400 -0.046 0.000 0.813 230 E CB -0.165 29.548 29.700 0.021 0.000 0.768 230 E HN 0.258 nan 8.360 nan 0.000 0.457 231 V N 0.319 120.145 119.914 -0.147 0.000 2.270 231 V HA -0.243 3.894 4.120 0.027 0.000 0.245 231 V C 2.232 178.230 176.094 -0.160 0.000 1.043 231 V CA 1.940 64.195 62.300 -0.076 0.000 1.014 231 V CB -0.790 31.017 31.823 -0.026 0.000 0.645 231 V HN 0.231 nan 8.190 nan 0.000 0.447 232 S N -0.274 115.165 115.700 -0.435 0.000 2.374 232 S HA -0.296 4.190 4.470 0.027 0.000 0.227 232 S C 2.036 176.546 174.600 -0.150 0.000 1.037 232 S CA 1.852 59.849 58.200 -0.338 0.000 1.024 232 S CB -0.400 62.481 63.200 -0.532 0.000 0.861 232 S HN 0.519 nan 8.310 nan 0.000 0.456 233 K N 1.334 121.645 120.400 -0.149 0.000 2.032 233 K HA -0.057 4.280 4.320 0.027 0.000 0.209 233 K C 2.058 178.629 176.600 -0.049 0.000 1.048 233 K CA 1.169 57.395 56.287 -0.101 0.000 0.927 233 K CB -0.465 31.960 32.500 -0.124 0.000 0.712 233 K HN 0.364 nan 8.250 nan 0.000 0.441 234 L N 0.705 121.937 121.223 0.015 0.000 2.042 234 L HA -0.190 4.166 4.340 0.027 0.000 0.210 234 L C 2.488 179.421 176.870 0.105 0.000 1.076 234 L CA 0.928 55.827 54.840 0.099 0.000 0.749 234 L CB -0.404 41.768 42.059 0.189 0.000 0.893 234 L HN -0.018 nan 8.230 nan 0.000 0.432 235 V N -0.986 118.976 119.914 0.081 0.000 2.453 235 V HA -0.213 3.924 4.120 0.027 0.000 0.247 235 V C 2.509 178.687 176.094 0.139 0.000 1.048 235 V CA 2.028 64.404 62.300 0.127 0.000 1.049 235 V CB -0.474 31.408 31.823 0.098 0.000 0.672 235 V HN 0.443 nan 8.190 nan 0.000 0.457 236 T N -0.124 114.469 114.554 0.065 0.000 2.746 236 T HA -0.174 4.193 4.350 0.027 0.000 0.267 236 T C 1.629 176.359 174.700 0.050 0.000 1.039 236 T CA 1.729 63.860 62.100 0.052 0.000 1.142 236 T CB -0.307 68.564 68.868 0.004 0.000 0.866 236 T HN 0.498 nan 8.240 nan 0.000 0.444 237 D N 1.064 121.483 120.400 0.033 0.000 2.077 237 D HA -0.031 4.625 4.640 0.027 0.000 0.196 237 D C 2.086 178.431 176.300 0.074 0.000 0.986 237 D CA 0.636 54.651 54.000 0.025 0.000 0.829 237 D CB -0.682 40.111 40.800 -0.011 0.000 0.983 237 D HN 0.170 nan 8.370 nan 0.000 0.453 238 L N 1.059 122.365 121.223 0.138 0.000 2.129 238 L HA -0.167 4.189 4.340 0.027 0.000 0.212 238 L C 2.102 179.128 176.870 0.260 0.000 1.087 238 L CA 1.707 56.677 54.840 0.217 0.000 0.757 238 L CB -0.820 41.423 42.059 0.306 0.000 0.896 238 L HN -0.041 nan 8.230 nan 0.000 0.434 239 T N -0.782 113.915 114.554 0.238 0.000 2.777 239 T HA -0.218 4.148 4.350 0.027 0.000 0.266 239 T C 1.878 176.532 174.700 -0.077 0.000 1.040 239 T CA 1.649 63.763 62.100 0.023 0.000 1.141 239 T CB -0.172 68.761 68.868 0.109 0.000 0.868 239 T HN 0.355 nan 8.240 nan 0.000 0.444 240 K N 0.803 121.198 120.400 -0.008 0.000 2.097 240 K HA -0.092 4.244 4.320 0.027 0.000 0.206 240 K C 2.112 178.700 176.600 -0.019 0.000 1.049 240 K CA 0.918 57.193 56.287 -0.019 0.000 0.933 240 K CB -0.288 32.209 32.500 -0.006 0.000 0.717 240 K HN 0.126 nan 8.250 nan 0.000 0.442 241 V N 1.022 120.927 119.914 -0.016 0.000 2.220 241 V HA -0.279 3.857 4.120 0.027 0.000 0.246 241 V C 2.287 178.347 176.094 -0.057 0.000 1.049 241 V CA 1.969 64.243 62.300 -0.043 0.000 1.003 241 V CB -0.688 31.081 31.823 -0.090 0.000 0.634 241 V HN 0.466 nan 8.190 nan 0.000 0.444 242 H N -0.057 118.999 119.070 -0.022 0.000 2.457 242 H HA -0.088 4.484 4.556 0.025 0.000 0.294 242 H C 2.425 177.683 175.328 -0.116 0.000 1.064 242 H CA 1.809 57.803 56.048 -0.091 0.000 1.330 242 H CB -0.348 29.276 29.762 -0.231 0.000 1.395 242 H HN 0.454 nan 8.280 nan 0.000 0.541 243 T N 0.753 115.273 114.554 -0.056 0.000 2.674 243 T HA -0.125 4.241 4.350 0.027 0.000 0.265 243 T C 1.890 176.645 174.700 0.091 0.000 1.039 243 T CA 1.317 63.404 62.100 -0.023 0.000 1.150 243 T CB -0.055 68.773 68.868 -0.066 0.000 0.864 243 T HN 0.482 nan 8.240 nan 0.000 0.427 244 E N 0.181 120.427 120.200 0.076 0.000 2.038 244 E HA -0.152 4.215 4.350 0.027 0.000 0.195 244 E C 2.529 179.233 176.600 0.174 0.000 1.000 244 E CA 1.320 57.791 56.400 0.120 0.000 0.803 244 E CB -0.391 29.349 29.700 0.068 0.000 0.750 244 E HN 0.388 nan 8.360 nan 0.000 0.448 245 c N 0.252 118.952 118.600 0.167 0.000 2.413 245 c HA -0.178 4.408 4.570 0.027 0.000 0.276 245 c C 2.879 177.107 174.090 0.230 0.000 1.248 245 c CA 0.579 57.038 56.329 0.218 0.000 1.742 245 c CB -0.749 41.965 42.510 0.339 0.000 2.017 245 c HN 0.624 nan 8.230 nan 0.000 0.481 246 c N -2.052 116.683 118.600 0.225 0.000 2.446 246 c HA -0.056 4.530 4.570 0.027 0.000 0.279 246 c C 2.214 176.435 174.090 0.218 0.000 1.366 246 c CA 0.536 57.006 56.329 0.236 0.000 1.763 246 c CB -1.616 41.009 42.510 0.191 0.000 1.929 246 c HN 0.665 nan 8.230 nan 0.000 0.509 247 H N -0.122 119.043 119.070 0.158 0.000 2.519 247 H HA 0.192 4.765 4.556 0.028 0.000 0.289 247 H C 1.721 177.190 175.328 0.236 0.000 1.040 247 H CA 0.773 56.925 56.048 0.174 0.000 1.165 247 H CB -0.290 29.561 29.762 0.148 0.000 1.462 247 H HN 0.557 nan 8.280 nan 0.000 0.555 248 G N 1.354 110.315 108.800 0.268 0.000 2.184 248 G HA2 -0.246 3.730 3.960 0.027 0.000 0.264 248 G HA3 -0.246 3.730 3.960 0.027 0.000 0.264 248 G C 0.102 175.156 174.900 0.257 0.000 0.975 248 G CA 0.358 45.623 45.100 0.275 0.000 0.642 248 G HN 0.445 nan 8.290 nan 0.000 0.536 249 D N 1.258 121.822 120.400 0.274 0.000 2.688 249 D HA 0.306 4.962 4.640 0.027 0.000 0.228 249 D C 2.037 178.402 176.300 0.108 0.000 1.116 249 D CA -0.207 53.903 54.000 0.184 0.000 1.023 249 D CB -0.061 40.812 40.800 0.121 0.000 1.100 249 D HN 0.388 nan 8.370 nan 0.000 0.487 250 L N -0.325 120.951 121.223 0.088 0.000 2.156 250 L HA -0.079 4.277 4.340 0.027 0.000 0.208 250 L C 2.302 179.170 176.870 -0.003 0.000 1.095 250 L CA 0.567 55.425 54.840 0.030 0.000 0.770 250 L CB -0.183 41.860 42.059 -0.028 0.000 0.914 250 L HN 0.269 nan 8.230 nan 0.000 0.439 251 L N 0.111 121.338 121.223 0.006 0.000 2.141 251 L HA -0.160 4.196 4.340 0.027 0.000 0.209 251 L C 2.828 179.696 176.870 -0.002 0.000 1.094 251 L CA 1.095 55.921 54.840 -0.023 0.000 0.763 251 L CB -0.513 41.538 42.059 -0.013 0.000 0.908 251 L HN 0.442 nan 8.230 nan 0.000 0.437 252 E N -0.429 119.779 120.200 0.013 0.000 2.086 252 E HA -0.192 4.174 4.350 0.027 0.000 0.190 252 E C 2.329 178.939 176.600 0.016 0.000 0.975 252 E CA 1.140 57.553 56.400 0.021 0.000 0.813 252 E CB -1.117 28.594 29.700 0.018 0.000 0.768 252 E HN 0.432 nan 8.360 nan 0.000 0.457 253 c N 2.250 120.862 118.600 0.020 0.000 2.336 253 c HA -0.197 4.389 4.570 0.027 0.000 0.275 253 c C 3.121 177.205 174.090 -0.010 0.000 1.175 253 c CA 2.586 58.926 56.329 0.019 0.000 1.771 253 c CB -1.250 41.289 42.510 0.048 0.000 2.030 253 c HN 0.580 nan 8.230 nan 0.000 0.442 254 A N -0.636 122.164 122.820 -0.034 0.000 1.978 254 A HA -0.197 4.139 4.320 0.027 0.000 0.220 254 A C 1.929 179.498 177.584 -0.024 0.000 1.170 254 A CA 2.420 54.426 52.037 -0.052 0.000 0.636 254 A CB -0.812 18.152 19.000 -0.060 0.000 0.810 254 A HN 0.768 nan 8.150 nan 0.000 0.448 255 D N -0.193 120.200 120.400 -0.012 0.000 2.091 255 D HA -0.107 4.550 4.640 0.027 0.000 0.199 255 D C 1.402 177.709 176.300 0.010 0.000 0.980 255 D CA 1.203 55.200 54.000 -0.005 0.000 0.831 255 D CB -0.213 40.585 40.800 -0.003 0.000 0.987 255 D HN 0.336 nan 8.370 nan 0.000 0.460 256 D N -0.075 120.335 120.400 0.016 0.000 2.117 256 D HA -0.132 4.525 4.640 0.027 0.000 0.197 256 D C 2.089 178.405 176.300 0.026 0.000 0.987 256 D CA 0.505 54.518 54.000 0.022 0.000 0.829 256 D CB -0.140 40.671 40.800 0.018 0.000 0.961 256 D HN 0.197 nan 8.370 nan 0.000 0.460 257 R N 0.534 121.045 120.500 0.018 0.000 2.096 257 R HA -0.098 4.258 4.340 0.027 0.000 0.235 257 R C 2.069 178.393 176.300 0.040 0.000 1.127 257 R CA 1.267 57.385 56.100 0.031 0.000 0.968 257 R CB -0.054 30.252 30.300 0.011 0.000 0.861 257 R HN 0.083 nan 8.270 nan 0.000 0.440 258 A N 0.819 123.654 122.820 0.025 0.000 1.929 258 A HA -0.135 4.202 4.320 0.027 0.000 0.216 258 A C 1.606 179.216 177.584 0.044 0.000 1.176 258 A CA 1.508 53.563 52.037 0.030 0.000 0.628 258 A CB -0.240 18.769 19.000 0.015 0.000 0.816 258 A HN 0.292 nan 8.150 nan 0.000 0.444 259 D N -0.363 120.064 120.400 0.044 0.000 2.149 259 D HA -0.101 4.555 4.640 0.027 0.000 0.201 259 D C 1.878 178.233 176.300 0.091 0.000 0.972 259 D CA 1.070 55.106 54.000 0.059 0.000 0.835 259 D CB -0.291 40.537 40.800 0.047 0.000 0.966 259 D HN 0.331 nan 8.370 nan 0.000 0.476 260 L N 1.627 122.902 121.223 0.087 0.000 1.990 260 L HA -0.180 4.176 4.340 0.027 0.000 0.213 260 L C 2.244 179.207 176.870 0.155 0.000 1.072 260 L CA 2.121 57.035 54.840 0.124 0.000 0.755 260 L CB -0.972 41.151 42.059 0.106 0.000 0.889 260 L HN -0.029 nan 8.230 nan 0.000 0.432 261 A N -0.904 121.982 122.820 0.110 0.000 1.940 261 A HA -0.293 4.044 4.320 0.027 0.000 0.219 261 A C 2.456 180.084 177.584 0.074 0.000 1.176 261 A CA 2.093 54.184 52.037 0.090 0.000 0.631 261 A CB -0.678 18.363 19.000 0.069 0.000 0.814 261 A HN 0.547 nan 8.150 nan 0.000 0.446 262 K N -1.767 118.682 120.400 0.081 0.000 2.032 262 K HA -0.226 4.110 4.320 0.027 0.000 0.209 262 K C 1.941 178.589 176.600 0.079 0.000 1.048 262 K CA 1.914 58.242 56.287 0.069 0.000 0.927 262 K CB -0.405 32.139 32.500 0.074 0.000 0.712 262 K HN 0.541 nan 8.250 nan 0.000 0.441 263 Y N 1.360 121.664 120.300 0.008 0.000 2.128 263 Y HA -0.228 4.340 4.550 0.030 0.000 0.284 263 Y C 1.851 177.742 175.900 -0.016 0.000 1.154 263 Y CA 1.630 59.729 58.100 -0.000 0.000 1.149 263 Y CB -0.214 38.250 38.460 0.006 0.000 0.976 263 Y HN 0.048 nan 8.280 nan 0.000 0.505 264 I N -1.222 119.302 120.570 -0.077 0.000 2.179 264 I HA -0.370 3.817 4.170 0.027 0.000 0.242 264 I C 2.311 178.308 176.117 -0.200 0.000 1.088 264 I CA 1.381 62.579 61.300 -0.170 0.000 1.357 264 I CB -0.480 37.505 38.000 -0.024 0.000 1.051 264 I HN 0.276 nan 8.210 nan 0.000 0.409 265 c N 0.437 118.971 118.600 -0.111 0.000 2.437 265 c HA -0.074 4.513 4.570 0.027 0.000 0.283 265 c C 2.398 176.422 174.090 -0.109 0.000 1.424 265 c CA 0.627 56.903 56.329 -0.088 0.000 1.782 265 c CB -1.325 41.164 42.510 -0.036 0.000 1.833 265 c HN 0.494 nan 8.230 nan 0.000 0.532 266 E N 0.501 120.607 120.200 -0.156 0.000 2.251 266 E HA 0.002 4.369 4.350 0.027 0.000 0.194 266 E C 0.308 176.772 176.600 -0.226 0.000 0.964 266 E CA 0.484 56.791 56.400 -0.156 0.000 0.868 266 E CB -0.019 29.611 29.700 -0.117 0.000 0.828 266 E HN 0.634 nan 8.360 nan 0.000 0.481 267 N N 1.218 119.690 118.700 -0.380 0.000 2.671 267 N HA 0.076 4.832 4.740 0.027 0.000 0.303 267 N C 0.461 175.793 175.510 -0.296 0.000 1.351 267 N CA -0.025 52.794 53.050 -0.385 0.000 0.991 267 N CB 0.600 38.689 38.487 -0.663 0.000 1.307 267 N HN 0.107 nan 8.380 nan 0.000 0.512 268 Q N -0.068 119.601 119.800 -0.218 0.000 2.079 268 Q HA -0.113 4.243 4.340 0.027 0.000 0.200 268 Q C 0.605 176.515 176.000 -0.151 0.000 0.974 268 Q CA 1.087 56.778 55.803 -0.188 0.000 0.840 268 Q CB 0.052 28.711 28.738 -0.131 0.000 0.898 268 Q HN 0.363 nan 8.270 nan 0.000 0.430 269 D N 0.581 120.913 120.400 -0.114 0.000 2.190 269 D HA -0.109 4.548 4.640 0.027 0.000 0.200 269 D C 1.117 177.374 176.300 -0.072 0.000 0.992 269 D CA 1.228 55.182 54.000 -0.077 0.000 0.854 269 D CB -0.087 40.678 40.800 -0.059 0.000 0.936 269 D HN 0.056 nan 8.370 nan 0.000 0.462 270 S N -1.055 114.589 115.700 -0.093 0.000 2.582 270 S HA 0.307 4.793 4.470 0.027 0.000 0.234 270 S C 1.436 175.983 174.600 -0.088 0.000 0.961 270 S CA -0.226 57.934 58.200 -0.066 0.000 0.953 270 S CB 0.664 63.833 63.200 -0.051 0.000 0.800 270 S HN 0.217 nan 8.310 nan 0.000 0.471 271 I N -1.094 119.381 120.570 -0.160 0.000 3.814 271 I HA 0.255 4.441 4.170 0.027 0.000 0.264 271 I C 0.615 176.573 176.117 -0.265 0.000 1.145 271 I CA 0.135 61.265 61.300 -0.283 0.000 1.375 271 I CB 0.780 38.461 38.000 -0.533 0.000 1.638 271 I HN 0.186 nan 8.210 nan 0.000 0.432 272 S N -0.762 114.795 115.700 -0.238 0.000 2.611 272 S HA 0.307 4.793 4.470 0.027 0.000 0.268 272 S C -0.152 174.415 174.600 -0.055 0.000 1.156 272 S CA 0.069 58.215 58.200 -0.090 0.000 0.817 272 S CB 1.397 64.574 63.200 -0.039 0.000 1.122 272 S HN 0.189 nan 8.310 nan 0.000 0.466 273 S N 0.772 116.472 115.700 0.000 0.000 2.554 273 S HA 0.338 4.825 4.470 0.027 0.000 0.226 273 S C 0.612 175.222 174.600 0.017 0.000 0.980 273 S CA -0.258 57.942 58.200 0.001 0.000 0.939 273 S CB 0.043 63.248 63.200 0.009 0.000 0.832 273 S HN 0.485 nan 8.310 nan 0.000 0.486 274 K N 1.208 121.631 120.400 0.039 0.000 2.374 274 K HA 0.461 4.797 4.320 0.027 0.000 0.196 274 K C 0.948 177.578 176.600 0.050 0.000 1.023 274 K CA 0.149 56.471 56.287 0.058 0.000 1.103 274 K CB -0.209 32.350 32.500 0.099 0.000 0.848 274 K HN 0.381 nan 8.250 nan 0.000 0.528 275 L N 0.235 121.469 121.223 0.018 0.000 2.529 275 L HA 0.051 4.408 4.340 0.027 0.000 0.223 275 L C 1.660 178.531 176.870 0.002 0.000 1.113 275 L CA 0.228 55.072 54.840 0.007 0.000 0.861 275 L CB -0.203 41.829 42.059 -0.045 0.000 1.012 275 L HN 0.101 nan 8.230 nan 0.000 0.461 276 K N 0.475 120.876 120.400 0.001 0.000 2.113 276 K HA -0.212 4.125 4.320 0.027 0.000 0.208 276 K C 1.570 178.176 176.600 0.010 0.000 1.047 276 K CA 1.625 57.912 56.287 0.001 0.000 0.928 276 K CB -0.240 32.261 32.500 0.001 0.000 0.716 276 K HN 0.304 nan 8.250 nan 0.000 0.446 277 E N 0.077 120.289 120.200 0.020 0.000 2.318 277 E HA -0.015 4.351 4.350 0.027 0.000 0.193 277 E C 1.788 178.407 176.600 0.032 0.000 0.998 277 E CA 0.518 56.934 56.400 0.026 0.000 0.859 277 E CB 0.115 29.833 29.700 0.030 0.000 0.812 277 E HN 0.396 nan 8.360 nan 0.000 0.492 278 c N -0.064 118.557 118.600 0.034 0.000 2.485 278 c HA -0.027 4.560 4.570 0.027 0.000 0.278 278 c C 2.297 176.406 174.090 0.031 0.000 1.356 278 c CA 0.007 56.360 56.329 0.040 0.000 1.747 278 c CB -0.449 42.090 42.510 0.049 0.000 2.001 278 c HN 0.492 nan 8.230 nan 0.000 0.501 279 c N 1.193 119.805 118.600 0.019 0.000 2.578 279 c HA 0.082 4.669 4.570 0.027 0.000 0.285 279 c C 1.417 175.515 174.090 0.013 0.000 1.297 279 c CA 0.189 56.526 56.329 0.012 0.000 1.690 279 c CB -2.267 40.240 42.510 -0.004 0.000 1.773 279 c HN 0.610 nan 8.230 nan 0.000 0.594 280 E N 0.762 120.973 120.200 0.019 0.000 2.437 280 E HA 0.123 4.490 4.350 0.027 0.000 0.195 280 E C 0.201 176.817 176.600 0.027 0.000 1.029 280 E CA 0.191 56.603 56.400 0.020 0.000 0.948 280 E CB 0.359 30.070 29.700 0.018 0.000 1.082 280 E HN 0.638 nan 8.360 nan 0.000 0.456 281 K N 0.940 121.360 120.400 0.033 0.000 2.395 281 K HA 0.440 4.776 4.320 0.027 0.000 0.247 281 K C -2.740 173.889 176.600 0.048 0.000 0.973 281 K CA -2.277 54.037 56.287 0.045 0.000 0.828 281 K CB 1.452 33.985 32.500 0.056 0.000 1.272 281 K HN -0.186 nan 8.250 nan 0.000 0.439 282 P HA -0.050 nan 4.420 nan 0.000 0.267 282 P C 0.730 178.073 177.300 0.073 0.000 1.200 282 P CA -0.313 62.824 63.100 0.062 0.000 0.772 282 P CB 0.426 32.170 31.700 0.072 0.000 0.855 283 L N 4.349 125.608 121.223 0.061 0.000 1.997 283 L HA -0.276 4.081 4.340 0.027 0.000 0.227 283 L C 1.921 178.837 176.870 0.077 0.000 1.087 283 L CA 2.046 56.921 54.840 0.059 0.000 0.797 283 L CB -1.419 40.668 42.059 0.047 0.000 0.902 283 L HN 0.369 nan 8.230 nan 0.000 0.441 284 L N -0.954 120.340 121.223 0.117 0.000 1.997 284 L HA -0.285 4.072 4.340 0.027 0.000 0.216 284 L C 2.598 179.537 176.870 0.114 0.000 1.074 284 L CA 1.827 56.773 54.840 0.176 0.000 0.763 284 L CB -0.845 41.399 42.059 0.308 0.000 0.890 284 L HN 0.334 nan 8.230 nan 0.000 0.434 285 E N 0.332 120.647 120.200 0.192 0.000 2.049 285 E HA -0.284 4.083 4.350 0.027 0.000 0.198 285 E C 2.031 178.622 176.600 -0.014 0.000 1.007 285 E CA 1.792 58.246 56.400 0.090 0.000 0.809 285 E CB -0.243 29.572 29.700 0.192 0.000 0.749 285 E HN 0.361 nan 8.360 nan 0.000 0.450 286 K N 0.146 120.568 120.400 0.037 0.000 2.059 286 K HA -0.206 4.130 4.320 0.027 0.000 0.212 286 K C 2.139 178.755 176.600 0.027 0.000 1.050 286 K CA 2.034 58.342 56.287 0.035 0.000 0.927 286 K CB -0.257 32.268 32.500 0.042 0.000 0.714 286 K HN 0.004 nan 8.250 nan 0.000 0.447 287 S N -0.261 115.451 115.700 0.019 0.000 2.345 287 S HA -0.160 4.327 4.470 0.027 0.000 0.220 287 S C 1.779 176.382 174.600 0.004 0.000 1.031 287 S CA 1.308 59.528 58.200 0.032 0.000 0.996 287 S CB -0.579 62.648 63.200 0.045 0.000 0.882 287 S HN 0.591 nan 8.310 nan 0.000 0.445 288 H N -0.014 118.926 119.070 -0.218 0.000 2.357 288 H HA -0.175 4.397 4.556 0.028 0.000 0.296 288 H C 2.485 177.712 175.328 -0.168 0.000 1.108 288 H CA 2.019 57.882 56.048 -0.309 0.000 1.273 288 H CB -0.498 28.707 29.762 -0.928 0.000 1.367 288 H HN 0.451 nan 8.280 nan 0.000 0.498 289 c N -0.239 118.385 118.600 0.040 0.000 2.462 289 c HA -0.085 4.502 4.570 0.027 0.000 0.278 289 c C 2.773 176.894 174.090 0.051 0.000 1.253 289 c CA 1.082 57.453 56.329 0.070 0.000 1.713 289 c CB -1.276 41.270 42.510 0.060 0.000 2.049 289 c HN 0.703 nan 8.230 nan 0.000 0.477 290 I N 1.320 121.924 120.570 0.057 0.000 2.264 290 I HA -0.183 4.003 4.170 0.027 0.000 0.248 290 I C 2.748 178.926 176.117 0.102 0.000 1.111 290 I CA 1.635 62.994 61.300 0.097 0.000 1.382 290 I CB -0.372 37.692 38.000 0.107 0.000 1.060 290 I HN 0.444 nan 8.210 nan 0.000 0.418 291 A N -0.209 122.639 122.820 0.048 0.000 1.969 291 A HA -0.138 4.199 4.320 0.027 0.000 0.218 291 A C 1.918 179.487 177.584 -0.024 0.000 1.169 291 A CA 1.254 53.301 52.037 0.018 0.000 0.635 291 A CB -0.330 18.670 19.000 -0.001 0.000 0.810 291 A HN 0.447 nan 8.150 nan 0.000 0.445 292 E N -0.365 119.811 120.200 -0.040 0.000 2.451 292 E HA 0.202 4.568 4.350 0.027 0.000 0.194 292 E C -0.410 176.204 176.600 0.023 0.000 1.027 292 E CA -0.370 56.015 56.400 -0.025 0.000 0.914 292 E CB 0.431 30.104 29.700 -0.045 0.000 1.054 292 E HN 0.287 nan 8.360 nan 0.000 0.461 293 V N 2.602 122.542 119.914 0.044 0.000 2.811 293 V HA -0.016 4.120 4.120 0.027 0.000 0.302 293 V C 0.279 176.402 176.094 0.047 0.000 1.063 293 V CA -0.153 62.188 62.300 0.069 0.000 1.088 293 V CB 0.971 32.869 31.823 0.125 0.000 0.982 293 V HN 0.265 nan 8.190 nan 0.000 0.485 294 E N 4.889 125.121 120.200 0.053 0.000 2.349 294 E HA 0.292 4.659 4.350 0.027 0.000 0.262 294 E C -0.378 176.247 176.600 0.042 0.000 1.088 294 E CA -0.844 55.577 56.400 0.035 0.000 0.899 294 E CB 0.418 30.140 29.700 0.036 0.000 1.044 294 E HN 0.662 nan 8.360 nan 0.000 0.420 295 N N 1.433 120.142 118.700 0.015 0.000 2.374 295 N HA -0.016 4.740 4.740 0.027 0.000 0.241 295 N C -0.626 174.919 175.510 0.057 0.000 1.262 295 N CA 0.095 53.153 53.050 0.013 0.000 0.880 295 N CB 0.247 38.726 38.487 -0.013 0.000 1.105 295 N HN 0.540 nan 8.380 nan 0.000 0.438 296 D N 0.182 120.639 120.400 0.094 0.000 2.348 296 D HA 0.070 4.727 4.640 0.027 0.000 0.249 296 D C -0.475 175.857 176.300 0.054 0.000 1.110 296 D CA -0.275 53.785 54.000 0.099 0.000 0.967 296 D CB 0.619 41.512 40.800 0.156 0.000 1.139 296 D HN 0.182 nan 8.370 nan 0.000 0.466 297 E N 2.054 122.279 120.200 0.041 0.000 2.161 297 E HA -0.023 4.343 4.350 0.027 0.000 0.263 297 E C 0.246 176.854 176.600 0.013 0.000 1.185 297 E CA 0.005 56.416 56.400 0.020 0.000 0.938 297 E CB 0.027 29.736 29.700 0.015 0.000 1.023 297 E HN 0.480 nan 8.360 nan 0.000 0.433 298 M N 4.813 124.410 119.600 -0.005 0.000 2.226 298 M HA -0.044 4.452 4.480 0.027 0.000 0.352 298 M C -1.998 174.286 176.300 -0.026 0.000 1.226 298 M CA -0.360 54.924 55.300 -0.027 0.000 0.943 298 M CB 0.291 32.852 32.600 -0.065 0.000 1.805 298 M HN 0.080 nan 8.290 nan 0.000 0.465 299 P HA 0.205 nan 4.420 nan 0.000 0.277 299 P C -0.339 176.944 177.300 -0.029 0.000 1.276 299 P CA -0.157 62.934 63.100 -0.016 0.000 0.788 299 P CB 0.264 31.962 31.700 -0.004 0.000 1.114 300 A N 0.013 122.821 122.820 -0.020 0.000 1.828 300 A HA -0.117 4.220 4.320 0.027 0.000 0.215 300 A C 1.080 178.644 177.584 -0.032 0.000 1.203 300 A CA 1.959 53.983 52.037 -0.022 0.000 0.614 300 A CB -1.091 17.901 19.000 -0.014 0.000 0.844 300 A HN 0.554 nan 8.150 nan 0.000 0.445 301 D N -0.308 120.074 120.400 -0.030 0.000 2.739 301 D HA 0.391 5.047 4.640 0.027 0.000 0.335 301 D C -0.837 175.439 176.300 -0.039 0.000 1.216 301 D CA -0.243 53.737 54.000 -0.034 0.000 0.808 301 D CB -0.215 40.571 40.800 -0.023 0.000 1.121 301 D HN 0.240 nan 8.370 nan 0.000 0.499 302 L N 2.136 123.326 121.223 -0.056 0.000 2.426 302 L HA 0.304 4.660 4.340 0.027 0.000 0.271 302 L C -1.216 175.616 176.870 -0.063 0.000 1.169 302 L CA -1.106 53.696 54.840 -0.064 0.000 0.836 302 L CB 0.376 42.376 42.059 -0.098 0.000 1.112 302 L HN 0.178 nan 8.230 nan 0.000 0.465 303 P HA 0.070 nan 4.420 nan 0.000 0.274 303 P C -0.594 176.678 177.300 -0.046 0.000 1.256 303 P CA -0.514 62.561 63.100 -0.042 0.000 0.795 303 P CB 0.824 32.505 31.700 -0.033 0.000 1.038 304 S N -0.564 115.120 115.700 -0.027 0.000 2.565 304 S HA 0.146 4.632 4.470 0.027 0.000 0.276 304 S C 1.526 176.146 174.600 0.033 0.000 1.326 304 S CA -0.628 57.571 58.200 -0.001 0.000 1.045 304 S CB -0.265 62.942 63.200 0.012 0.000 0.918 304 S HN 0.354 nan 8.310 nan 0.000 0.505 305 L N 4.092 125.382 121.223 0.112 0.000 2.141 305 L HA -0.046 4.311 4.340 0.027 0.000 0.209 305 L C 2.773 179.805 176.870 0.270 0.000 1.094 305 L CA 1.275 56.278 54.840 0.271 0.000 0.763 305 L CB -0.839 41.451 42.059 0.385 0.000 0.908 305 L HN 0.875 nan 8.230 nan 0.000 0.437 306 A N 0.591 123.480 122.820 0.115 0.000 1.869 306 A HA -0.351 3.986 4.320 0.027 0.000 0.218 306 A C 2.584 180.135 177.584 -0.056 0.000 1.203 306 A CA 2.403 54.361 52.037 -0.132 0.000 0.638 306 A CB -1.075 17.819 19.000 -0.177 0.000 0.831 306 A HN 0.419 nan 8.150 nan 0.000 0.450 307 A N -0.612 122.178 122.820 -0.049 0.000 1.929 307 A HA -0.336 4.001 4.320 0.027 0.000 0.221 307 A C 1.898 179.414 177.584 -0.114 0.000 1.211 307 A CA 2.398 54.396 52.037 -0.065 0.000 0.657 307 A CB -0.832 18.131 19.000 -0.061 0.000 0.827 307 A HN 0.566 nan 8.150 nan 0.000 0.462 308 D N -1.935 118.312 120.400 -0.255 0.000 2.123 308 D HA -0.014 4.642 4.640 0.027 0.000 0.200 308 D C 0.951 176.954 176.300 -0.495 0.000 0.976 308 D CA 1.180 54.828 54.000 -0.585 0.000 0.831 308 D CB -0.085 39.918 40.800 -1.328 0.000 0.974 308 D HN 0.496 nan 8.370 nan 0.000 0.469 309 F N -1.070 118.979 119.950 0.165 0.000 2.746 309 F HA 0.171 4.715 4.527 0.028 0.000 0.320 309 F C 1.471 177.377 175.800 0.177 0.000 1.097 309 F CA -0.121 58.036 58.000 0.262 0.000 1.195 309 F CB 0.732 39.856 39.000 0.206 0.000 1.056 309 F HN -0.221 nan 8.300 nan 0.000 0.562 310 V N -1.897 118.118 119.914 0.168 0.000 3.177 310 V HA 0.088 4.224 4.120 0.027 0.000 0.220 310 V C 1.639 177.871 176.094 0.230 0.000 1.395 310 V CA 0.285 62.653 62.300 0.114 0.000 1.317 310 V CB 0.614 32.279 31.823 -0.264 0.000 1.148 310 V HN 0.046 nan 8.190 nan 0.000 0.499 311 E N 0.444 120.702 120.200 0.096 0.000 2.251 311 E HA 0.108 4.475 4.350 0.027 0.000 0.194 311 E C 1.171 177.820 176.600 0.083 0.000 0.964 311 E CA 0.433 56.870 56.400 0.063 0.000 0.868 311 E CB 0.519 30.204 29.700 -0.024 0.000 0.828 311 E HN 0.404 nan 8.360 nan 0.000 0.481 312 S N 0.972 116.729 115.700 0.094 0.000 2.563 312 S HA -0.062 4.424 4.470 0.027 0.000 0.284 312 S C 1.030 175.764 174.600 0.222 0.000 1.331 312 S CA -0.027 58.230 58.200 0.095 0.000 1.047 312 S CB 0.729 63.962 63.200 0.053 0.000 0.859 312 S HN 0.235 nan 8.310 nan 0.000 0.514 313 K N 2.281 122.808 120.400 0.212 0.000 2.366 313 K HA 0.068 4.405 4.320 0.027 0.000 0.198 313 K C 0.502 177.232 176.600 0.217 0.000 1.044 313 K CA 1.129 57.652 56.287 0.393 0.000 0.973 313 K CB -0.057 32.608 32.500 0.275 0.000 0.767 313 K HN 0.411 nan 8.250 nan 0.000 0.475 314 D N 0.746 121.221 120.400 0.126 0.000 2.340 314 D HA 0.021 4.677 4.640 0.027 0.000 0.220 314 D C 1.497 177.799 176.300 0.002 0.000 1.039 314 D CA 0.002 54.033 54.000 0.052 0.000 0.866 314 D CB 0.316 41.135 40.800 0.031 0.000 0.913 314 D HN -0.038 nan 8.370 nan 0.000 0.523 315 V N 0.095 120.037 119.914 0.047 0.000 2.277 315 V HA -0.395 3.742 4.120 0.027 0.000 0.253 315 V C 2.457 178.444 176.094 -0.179 0.000 1.067 315 V CA 1.606 63.883 62.300 -0.037 0.000 1.047 315 V CB -0.514 31.267 31.823 -0.070 0.000 0.649 315 V HN 0.392 nan 8.190 nan 0.000 0.447 316 c N -1.043 117.516 118.600 -0.067 0.000 2.453 316 c HA -0.118 4.468 4.570 0.027 0.000 0.277 316 c C 2.765 176.829 174.090 -0.043 0.000 1.262 316 c CA 1.267 57.578 56.329 -0.030 0.000 1.718 316 c CB -0.825 41.699 42.510 0.023 0.000 2.031 316 c HN 0.609 nan 8.230 nan 0.000 0.480 317 K N 1.127 121.495 120.400 -0.054 0.000 1.987 317 K HA -0.191 4.145 4.320 0.027 0.000 0.216 317 K C 1.956 178.483 176.600 -0.122 0.000 1.051 317 K CA 1.682 57.933 56.287 -0.060 0.000 0.942 317 K CB -0.437 32.043 32.500 -0.033 0.000 0.722 317 K HN 0.463 nan 8.250 nan 0.000 0.444 318 N N -0.559 118.018 118.700 -0.204 0.000 2.184 318 N HA -0.232 4.524 4.740 0.027 0.000 0.190 318 N C 1.674 176.920 175.510 -0.440 0.000 1.011 318 N CA 1.578 54.434 53.050 -0.322 0.000 0.867 318 N CB -0.083 38.118 38.487 -0.477 0.000 0.993 318 N HN 0.340 nan 8.380 nan 0.000 0.433 319 Y N 0.355 120.272 120.300 -0.639 0.000 2.503 319 Y HA 0.269 4.838 4.550 0.031 0.000 0.278 319 Y C 2.043 177.852 175.900 -0.152 0.000 1.111 319 Y CA 0.629 58.469 58.100 -0.433 0.000 1.270 319 Y CB -0.009 38.203 38.460 -0.413 0.000 1.063 319 Y HN -0.009 nan 8.280 nan 0.000 0.548 320 A N 0.209 122.905 122.820 -0.206 0.000 1.911 320 A HA -0.006 4.331 4.320 0.027 0.000 0.212 320 A C 1.929 179.417 177.584 -0.159 0.000 1.189 320 A CA 1.156 53.068 52.037 -0.209 0.000 0.639 320 A CB -0.407 18.545 19.000 -0.081 0.000 0.839 320 A HN 0.502 nan 8.150 nan 0.000 0.449 321 E N -0.601 119.536 120.200 -0.106 0.000 2.268 321 E HA 0.135 4.501 4.350 0.027 0.000 0.195 321 E C 0.335 176.907 176.600 -0.046 0.000 0.995 321 E CA 0.715 57.079 56.400 -0.060 0.000 0.836 321 E CB -0.041 29.639 29.700 -0.034 0.000 0.763 321 E HN 0.508 nan 8.360 nan 0.000 0.491 322 A N 1.120 123.904 122.820 -0.061 0.000 2.913 322 A HA 0.091 4.428 4.320 0.027 0.000 0.284 322 A C 0.754 178.352 177.584 0.024 0.000 1.273 322 A CA -0.682 51.356 52.037 0.002 0.000 0.899 322 A CB 0.200 19.244 19.000 0.073 0.000 1.444 322 A HN 0.086 nan 8.150 nan 0.000 0.586 323 K N 0.366 120.700 120.400 -0.110 0.000 1.985 323 K HA -0.192 4.145 4.320 0.027 0.000 0.210 323 K C 0.666 177.360 176.600 0.157 0.000 1.047 323 K CA 1.692 57.899 56.287 -0.134 0.000 0.932 323 K CB -0.298 31.921 32.500 -0.467 0.000 0.716 323 K HN 0.390 nan 8.250 nan 0.000 0.439 324 D N 1.412 121.879 120.400 0.112 0.000 2.177 324 D HA -0.172 4.485 4.640 0.027 0.000 0.189 324 D C 2.219 178.657 176.300 0.230 0.000 1.002 324 D CA 1.696 55.793 54.000 0.161 0.000 0.845 324 D CB -0.515 40.362 40.800 0.127 0.000 0.960 324 D HN 0.081 nan 8.370 nan 0.000 0.447 325 V N 0.658 120.716 119.914 0.241 0.000 2.332 325 V HA -0.239 3.897 4.120 0.027 0.000 0.248 325 V C 2.202 178.479 176.094 0.306 0.000 1.055 325 V CA 1.410 63.894 62.300 0.306 0.000 1.038 325 V CB -0.555 31.436 31.823 0.281 0.000 0.651 325 V HN 0.098 nan 8.190 nan 0.000 0.450 326 F N 0.397 120.452 119.950 0.176 0.000 2.102 326 F HA -0.162 4.379 4.527 0.023 0.000 0.298 326 F C 2.068 178.017 175.800 0.248 0.000 1.105 326 F CA 1.649 59.784 58.000 0.225 0.000 1.239 326 F CB -0.313 38.867 39.000 0.300 0.000 0.991 326 F HN 0.022 nan 8.300 nan 0.000 0.474 327 L N -0.320 121.088 121.223 0.309 0.000 2.079 327 L HA -0.167 4.190 4.340 0.027 0.000 0.210 327 L C 2.740 179.688 176.870 0.131 0.000 1.081 327 L CA 1.356 56.301 54.840 0.176 0.000 0.752 327 L CB -1.544 40.647 42.059 0.220 0.000 0.896 327 L HN 0.335 nan 8.230 nan 0.000 0.433 328 G N -0.874 108.032 108.800 0.176 0.000 2.422 328 G HA2 -0.235 3.742 3.960 0.027 0.000 0.218 328 G HA3 -0.235 3.742 3.960 0.027 0.000 0.218 328 G C 1.640 176.580 174.900 0.067 0.000 1.140 328 G CA 0.410 45.659 45.100 0.248 0.000 0.775 328 G HN 0.156 nan 8.290 nan 0.000 0.545 329 M N -0.556 118.854 119.600 -0.318 0.000 2.067 329 M HA 0.050 4.546 4.480 0.027 0.000 0.260 329 M C 2.248 178.411 176.300 -0.228 0.000 1.069 329 M CA 1.454 56.354 55.300 -0.666 0.000 1.117 329 M CB -0.282 32.058 32.600 -0.434 0.000 1.334 329 M HN 0.267 nan 8.290 nan 0.000 0.407 330 F N 0.536 120.171 119.950 -0.526 0.000 2.087 330 F HA -0.336 4.207 4.527 0.027 0.000 0.299 330 F C 1.745 177.303 175.800 -0.403 0.000 1.100 330 F CA 1.568 59.063 58.000 -0.841 0.000 1.226 330 F CB -0.302 38.097 39.000 -1.002 0.000 0.983 330 F HN 0.081 nan 8.300 nan 0.000 0.479 331 L N -0.203 120.981 121.223 -0.066 0.000 2.005 331 L HA -0.195 4.161 4.340 0.027 0.000 0.207 331 L C 2.315 179.150 176.870 -0.059 0.000 1.072 331 L CA 2.122 56.928 54.840 -0.057 0.000 0.744 331 L CB -1.906 40.204 42.059 0.085 0.000 0.895 331 L HN 0.445 nan 8.230 nan 0.000 0.433 332 Y N 0.821 121.107 120.300 -0.023 0.000 2.040 332 Y HA -0.313 4.254 4.550 0.027 0.000 0.275 332 Y C 2.461 178.324 175.900 -0.061 0.000 1.171 332 Y CA 2.298 60.428 58.100 0.051 0.000 1.123 332 Y CB -0.295 38.337 38.460 0.286 0.000 0.963 332 Y HN 0.278 nan 8.280 nan 0.000 0.493 333 E N -0.695 119.289 120.200 -0.360 0.000 2.051 333 E HA -0.252 4.115 4.350 0.027 0.000 0.192 333 E C 2.128 178.454 176.600 -0.456 0.000 0.991 333 E CA 1.699 57.816 56.400 -0.472 0.000 0.799 333 E CB -0.949 28.657 29.700 -0.156 0.000 0.748 333 E HN 0.646 nan 8.360 nan 0.000 0.449 334 Y N 1.223 121.133 120.300 -0.650 0.000 2.089 334 Y HA -0.215 4.352 4.550 0.028 0.000 0.282 334 Y C 2.400 178.067 175.900 -0.388 0.000 1.139 334 Y CA 1.570 59.306 58.100 -0.607 0.000 1.123 334 Y CB -0.679 37.212 38.460 -0.949 0.000 0.980 334 Y HN 0.027 nan 8.280 nan 0.000 0.493 335 A N 1.279 124.024 122.820 -0.125 0.000 1.873 335 A HA -0.300 4.037 4.320 0.027 0.000 0.218 335 A C 2.324 179.823 177.584 -0.143 0.000 1.193 335 A CA 2.592 54.567 52.037 -0.103 0.000 0.629 335 A CB -0.971 17.973 19.000 -0.095 0.000 0.826 335 A HN 0.625 nan 8.150 nan 0.000 0.447 336 R N -0.620 119.735 120.500 -0.240 0.000 2.193 336 R HA -0.084 4.272 4.340 0.027 0.000 0.229 336 R C 1.753 177.909 176.300 -0.241 0.000 1.110 336 R CA 1.650 57.610 56.100 -0.233 0.000 0.988 336 R CB -0.375 29.719 30.300 -0.343 0.000 0.871 336 R HN 0.471 nan 8.270 nan 0.000 0.458 337 R N -0.214 120.090 120.500 -0.327 0.000 2.297 337 R HA 0.114 4.470 4.340 0.027 0.000 0.197 337 R C -0.011 175.917 176.300 -0.620 0.000 0.943 337 R CA 0.428 56.248 56.100 -0.466 0.000 1.038 337 R CB 0.271 30.211 30.300 -0.599 0.000 0.957 337 R HN 0.329 nan 8.270 nan 0.000 0.484 338 H N -0.312 118.622 119.070 -0.228 0.000 2.538 338 H HA 0.139 4.712 4.556 0.027 0.000 0.239 338 H C -2.040 173.243 175.328 -0.074 0.000 1.401 338 H CA -1.733 54.205 56.048 -0.184 0.000 1.499 338 H CB 1.611 31.116 29.762 -0.429 0.000 1.624 338 H HN -0.004 nan 8.280 nan 0.000 0.524 339 P HA -0.113 nan 4.420 nan 0.000 0.220 339 P C 1.119 178.460 177.300 0.069 0.000 1.152 339 P CA 0.915 64.030 63.100 0.025 0.000 0.812 339 P CB 0.435 32.131 31.700 -0.008 0.000 0.792 340 D N -1.603 118.876 120.400 0.131 0.000 2.350 340 D HA -0.169 4.488 4.640 0.027 0.000 0.216 340 D C 0.319 176.715 176.300 0.160 0.000 0.968 340 D CA 0.558 54.637 54.000 0.131 0.000 0.894 340 D CB -0.923 39.973 40.800 0.159 0.000 0.909 340 D HN 0.151 nan 8.370 nan 0.000 0.520 341 Y N 1.564 121.851 120.300 -0.020 0.000 2.301 341 Y HA 0.240 4.806 4.550 0.027 0.000 0.325 341 Y C 1.176 177.006 175.900 -0.117 0.000 1.203 341 Y CA -1.534 56.515 58.100 -0.085 0.000 1.255 341 Y CB 1.279 39.663 38.460 -0.126 0.000 1.232 341 Y HN -0.123 nan 8.280 nan 0.000 0.501 342 S N 0.799 116.475 115.700 -0.040 0.000 2.584 342 S HA 0.226 4.712 4.470 0.027 0.000 0.273 342 S C 0.701 175.207 174.600 -0.156 0.000 1.311 342 S CA -0.739 57.403 58.200 -0.097 0.000 1.034 342 S CB 1.090 64.219 63.200 -0.120 0.000 0.939 342 S HN 0.488 nan 8.310 nan 0.000 0.513 343 V N 3.423 123.200 119.914 -0.228 0.000 2.307 343 V HA -0.157 3.979 4.120 0.027 0.000 0.245 343 V C 2.662 178.403 176.094 -0.587 0.000 1.045 343 V CA 1.972 64.031 62.300 -0.402 0.000 1.024 343 V CB -1.056 30.464 31.823 -0.504 0.000 0.651 343 V HN 0.938 nan 8.190 nan 0.000 0.449 344 V N -1.056 118.472 119.914 -0.643 0.000 2.380 344 V HA -0.259 3.878 4.120 0.027 0.000 0.251 344 V C 2.372 178.228 176.094 -0.397 0.000 1.063 344 V CA 2.269 64.196 62.300 -0.622 0.000 1.055 344 V CB -1.012 30.571 31.823 -0.400 0.000 0.657 344 V HN 0.454 nan 8.190 nan 0.000 0.455 345 L N -0.086 120.958 121.223 -0.299 0.000 2.017 345 L HA -0.044 4.313 4.340 0.027 0.000 0.208 345 L C 2.381 179.074 176.870 -0.295 0.000 1.073 345 L CA 1.897 56.590 54.840 -0.246 0.000 0.745 345 L CB -0.727 41.216 42.059 -0.195 0.000 0.894 345 L HN 0.304 nan 8.230 nan 0.000 0.432 346 L N -1.228 119.808 121.223 -0.312 0.000 2.012 346 L HA -0.280 4.077 4.340 0.027 0.000 0.210 346 L C 2.563 179.197 176.870 -0.394 0.000 1.073 346 L CA 1.457 56.053 54.840 -0.406 0.000 0.748 346 L CB -0.575 41.271 42.059 -0.355 0.000 0.891 346 L HN 0.319 nan 8.230 nan 0.000 0.431 347 L N -0.726 120.265 121.223 -0.386 0.000 2.127 347 L HA -0.238 4.118 4.340 0.027 0.000 0.211 347 L C 2.796 179.497 176.870 -0.282 0.000 1.089 347 L CA 1.280 55.920 54.840 -0.332 0.000 0.757 347 L CB -0.510 41.297 42.059 -0.421 0.000 0.899 347 L HN 0.293 nan 8.230 nan 0.000 0.434 348 R N -0.112 120.211 120.500 -0.295 0.000 2.062 348 R HA -0.123 4.233 4.340 0.027 0.000 0.231 348 R C 2.320 178.443 176.300 -0.295 0.000 1.136 348 R CA 1.086 57.037 56.100 -0.248 0.000 0.948 348 R CB -0.398 29.769 30.300 -0.222 0.000 0.845 348 R HN 0.258 nan 8.270 nan 0.000 0.430 349 L N 0.322 121.289 121.223 -0.427 0.000 1.990 349 L HA -0.246 4.110 4.340 0.027 0.000 0.213 349 L C 2.676 179.211 176.870 -0.558 0.000 1.072 349 L CA 1.606 56.032 54.840 -0.690 0.000 0.755 349 L CB -0.711 40.725 42.059 -1.038 0.000 0.889 349 L HN 0.318 nan 8.230 nan 0.000 0.432 350 A N -0.398 122.203 122.820 -0.365 0.000 1.972 350 A HA -0.241 4.096 4.320 0.027 0.000 0.219 350 A C 2.266 179.706 177.584 -0.240 0.000 1.169 350 A CA 1.895 53.743 52.037 -0.314 0.000 0.635 350 A CB -0.353 18.605 19.000 -0.070 0.000 0.810 350 A HN 0.234 nan 8.150 nan 0.000 0.446 351 K N -0.313 119.975 120.400 -0.186 0.000 2.025 351 K HA -0.066 4.270 4.320 0.027 0.000 0.207 351 K C 1.972 178.508 176.600 -0.107 0.000 1.049 351 K CA 2.145 58.359 56.287 -0.120 0.000 0.933 351 K CB -0.843 31.593 32.500 -0.108 0.000 0.714 351 K HN 0.390 nan 8.250 nan 0.000 0.438 352 T N 0.083 114.565 114.554 -0.121 0.000 2.759 352 T HA -0.183 4.183 4.350 0.027 0.000 0.269 352 T C 1.443 176.160 174.700 0.028 0.000 1.042 352 T CA 1.652 63.730 62.100 -0.037 0.000 1.140 352 T CB -0.526 68.330 68.868 -0.020 0.000 0.864 352 T HN 0.301 nan 8.240 nan 0.000 0.455 353 Y N 1.878 122.071 120.300 -0.179 0.000 2.133 353 Y HA -0.092 4.474 4.550 0.026 0.000 0.287 353 Y C 2.563 178.320 175.900 -0.238 0.000 1.134 353 Y CA 1.709 59.691 58.100 -0.197 0.000 1.133 353 Y CB -0.490 37.596 38.460 -0.622 0.000 0.987 353 Y HN 0.283 nan 8.280 nan 0.000 0.502 354 E N -0.439 119.584 120.200 -0.294 0.000 2.065 354 E HA -0.297 4.069 4.350 0.027 0.000 0.201 354 E C 2.017 178.476 176.600 -0.235 0.000 1.016 354 E CA 2.763 59.001 56.400 -0.271 0.000 0.818 354 E CB -0.363 29.305 29.700 -0.054 0.000 0.749 354 E HN 0.643 nan 8.360 nan 0.000 0.453 355 T N -1.855 112.620 114.554 -0.131 0.000 2.788 355 T HA -0.128 4.239 4.350 0.027 0.000 0.268 355 T C 1.966 176.609 174.700 -0.094 0.000 1.044 355 T CA 1.765 63.821 62.100 -0.074 0.000 1.139 355 T CB -0.891 67.956 68.868 -0.035 0.000 0.867 355 T HN 0.170 nan 8.240 nan 0.000 0.454 356 T N 2.901 117.378 114.554 -0.127 0.000 2.674 356 T HA 0.051 4.417 4.350 0.027 0.000 0.265 356 T C 1.979 176.576 174.700 -0.171 0.000 1.039 356 T CA 1.374 63.413 62.100 -0.102 0.000 1.150 356 T CB -0.634 68.197 68.868 -0.061 0.000 0.864 356 T HN 0.300 nan 8.240 nan 0.000 0.427 357 L N 0.719 121.701 121.223 -0.401 0.000 2.017 357 L HA -0.097 4.259 4.340 0.027 0.000 0.208 357 L C 3.050 179.754 176.870 -0.277 0.000 1.073 357 L CA 1.215 55.741 54.840 -0.523 0.000 0.745 357 L CB -0.650 40.719 42.059 -1.151 0.000 0.894 357 L HN 0.147 nan 8.230 nan 0.000 0.432 358 E N 0.547 120.644 120.200 -0.172 0.000 2.086 358 E HA -0.297 4.069 4.350 0.027 0.000 0.200 358 E C 2.111 178.718 176.600 0.012 0.000 1.012 358 E CA 1.484 57.905 56.400 0.034 0.000 0.812 358 E CB -0.230 29.504 29.700 0.057 0.000 0.743 358 E HN 0.384 nan 8.360 nan 0.000 0.453 359 K N -0.145 120.243 120.400 -0.019 0.000 2.211 359 K HA -0.078 4.258 4.320 0.027 0.000 0.203 359 K C 1.888 178.493 176.600 0.009 0.000 1.050 359 K CA 1.150 57.436 56.287 -0.001 0.000 0.945 359 K CB 0.036 32.534 32.500 -0.004 0.000 0.732 359 K HN 0.120 nan 8.250 nan 0.000 0.451 360 c N -0.637 117.971 118.600 0.014 0.000 2.935 360 c HA 0.192 4.779 4.570 0.027 0.000 0.308 360 c C 2.095 176.221 174.090 0.060 0.000 1.263 360 c CA -0.426 55.934 56.329 0.052 0.000 1.738 360 c CB -0.327 42.270 42.510 0.145 0.000 2.237 360 c HN 0.583 nan 8.230 nan 0.000 0.600 361 c N 0.943 119.574 118.600 0.052 0.000 2.546 361 c HA 0.310 4.896 4.570 0.027 0.000 0.275 361 c C 2.185 176.296 174.090 0.035 0.000 1.393 361 c CA 1.136 57.501 56.329 0.060 0.000 1.703 361 c CB -1.826 40.727 42.510 0.072 0.000 1.710 361 c HN 0.725 nan 8.230 nan 0.000 0.581 362 A N -0.787 122.046 122.820 0.022 0.000 2.027 362 A HA 0.662 4.998 4.320 0.027 0.000 0.196 362 A C 1.036 178.618 177.584 -0.003 0.000 1.573 362 A CA 0.703 52.746 52.037 0.009 0.000 1.097 362 A CB -0.462 18.547 19.000 0.015 0.000 1.196 362 A HN 0.410 nan 8.150 nan 0.000 0.462 363 A N -0.539 122.278 122.820 -0.004 0.000 2.272 363 A HA 0.652 4.989 4.320 0.027 0.000 0.275 363 A C 1.655 179.223 177.584 -0.027 0.000 1.096 363 A CA 0.361 52.390 52.037 -0.012 0.000 0.822 363 A CB -0.075 18.921 19.000 -0.008 0.000 1.088 363 A HN 1.404 nan 8.150 nan 0.000 0.495 364 A N 0.115 122.918 122.820 -0.029 0.000 1.882 364 A HA -0.195 4.141 4.320 0.027 0.000 0.220 364 A C 0.854 178.404 177.584 -0.057 0.000 1.253 364 A CA 2.532 54.547 52.037 -0.036 0.000 0.664 364 A CB -0.846 18.135 19.000 -0.031 0.000 0.838 364 A HN 0.862 nan 8.150 nan 0.000 0.460 365 D N -2.058 118.295 120.400 -0.078 0.000 2.453 365 D HA 0.470 5.126 4.640 0.027 0.000 0.238 365 D C -1.917 174.259 176.300 -0.207 0.000 1.088 365 D CA -1.903 52.023 54.000 -0.124 0.000 0.854 365 D CB 1.539 42.279 40.800 -0.100 0.000 1.076 365 D HN -0.035 nan 8.370 nan 0.000 0.533 366 P HA -0.215 nan 4.420 nan 0.000 0.211 366 P C 0.722 177.394 177.300 -1.047 0.000 1.181 366 P CA 1.546 64.429 63.100 -0.362 0.000 0.929 366 P CB 0.111 31.678 31.700 -0.222 0.000 0.789 367 H N -1.183 117.472 119.070 -0.691 0.000 2.353 367 H HA -0.148 4.425 4.556 0.028 0.000 0.298 367 H C 2.192 177.125 175.328 -0.658 0.000 1.103 367 H CA 1.452 57.041 56.048 -0.764 0.000 1.293 367 H CB -0.242 29.361 29.762 -0.264 0.000 1.372 367 H HN 0.280 nan 8.280 nan 0.000 0.501 368 E N 0.324 120.351 120.200 -0.289 0.000 2.046 368 E HA -0.149 4.218 4.350 0.027 0.000 0.190 368 E C 2.238 178.738 176.600 -0.168 0.000 0.982 368 E CA 1.350 57.648 56.400 -0.169 0.000 0.800 368 E CB 0.058 29.697 29.700 -0.102 0.000 0.756 368 E HN 0.641 nan 8.360 nan 0.000 0.449 369 c N 0.362 118.844 118.600 -0.197 0.000 2.495 369 c HA 0.087 4.674 4.570 0.027 0.000 0.275 369 c C 2.414 176.492 174.090 -0.020 0.000 1.392 369 c CA -0.094 56.182 56.329 -0.089 0.000 1.766 369 c CB -1.364 41.113 42.510 -0.055 0.000 1.933 369 c HN 0.571 nan 8.230 nan 0.000 0.519 370 Y N 1.039 121.338 120.300 -0.003 0.000 2.466 370 Y HA 0.639 5.207 4.550 0.029 0.000 0.272 370 Y C 2.047 177.955 175.900 0.013 0.000 1.169 370 Y CA -0.623 57.480 58.100 0.004 0.000 1.285 370 Y CB -1.359 37.092 38.460 -0.016 0.000 1.078 370 Y HN 0.182 nan 8.280 nan 0.000 0.523 371 A N 1.740 124.586 122.820 0.043 0.000 1.997 371 A HA -0.203 4.133 4.320 0.027 0.000 0.221 371 A C 1.760 179.363 177.584 0.031 0.000 1.172 371 A CA 1.785 53.846 52.037 0.040 0.000 0.645 371 A CB -0.495 18.483 19.000 -0.036 0.000 0.813 371 A HN 0.528 nan 8.150 nan 0.000 0.454 372 K N -0.314 120.115 120.400 0.049 0.000 2.593 372 K HA 0.316 4.652 4.320 0.027 0.000 0.208 372 K C 0.851 177.494 176.600 0.071 0.000 1.051 372 K CA 0.066 56.377 56.287 0.041 0.000 1.111 372 K CB 0.711 33.231 32.500 0.033 0.000 0.849 372 K HN 0.257 nan 8.250 nan 0.000 0.479 373 V N 0.071 120.052 119.914 0.112 0.000 2.392 373 V HA -0.244 3.892 4.120 0.027 0.000 0.249 373 V C 1.740 177.781 176.094 -0.089 0.000 1.059 373 V CA 1.630 64.020 62.300 0.151 0.000 1.051 373 V CB -0.617 31.409 31.823 0.338 0.000 0.658 373 V HN 0.286 nan 8.190 nan 0.000 0.455 374 F N 0.626 120.264 119.950 -0.521 0.000 2.186 374 F HA -0.063 4.480 4.527 0.026 0.000 0.299 374 F C 2.186 177.793 175.800 -0.322 0.000 1.090 374 F CA 1.074 58.617 58.000 -0.762 0.000 1.307 374 F CB -0.932 37.836 39.000 -0.387 0.000 1.019 374 F HN 0.201 nan 8.300 nan 0.000 0.489 375 D N 0.145 120.576 120.400 0.052 0.000 2.389 375 D HA -0.128 4.529 4.640 0.027 0.000 0.221 375 D C 1.662 178.008 176.300 0.078 0.000 0.974 375 D CA 0.793 54.830 54.000 0.062 0.000 0.923 375 D CB -0.134 40.698 40.800 0.055 0.000 0.892 375 D HN 0.454 nan 8.370 nan 0.000 0.518 376 E N -1.191 119.066 120.200 0.096 0.000 2.473 376 E HA 0.009 4.376 4.350 0.027 0.000 0.204 376 E C 1.158 177.958 176.600 0.333 0.000 0.994 376 E CA -0.137 56.373 56.400 0.184 0.000 0.945 376 E CB 0.169 29.988 29.700 0.200 0.000 0.990 376 E HN 0.248 nan 8.360 nan 0.000 0.493 377 F N 1.764 121.745 119.950 0.052 0.000 2.456 377 F HA 0.065 4.609 4.527 0.028 0.000 0.298 377 F C 2.246 178.047 175.800 0.001 0.000 1.104 377 F CA 0.508 58.505 58.000 -0.005 0.000 1.435 377 F CB -0.352 38.616 39.000 -0.053 0.000 1.078 377 F HN -0.082 nan 8.300 nan 0.000 0.546 378 K N 0.424 120.950 120.400 0.209 0.000 2.097 378 K HA -0.090 4.247 4.320 0.027 0.000 0.205 378 K C -0.668 175.972 176.600 0.066 0.000 1.050 378 K CA 1.152 57.512 56.287 0.122 0.000 0.938 378 K CB -0.911 31.647 32.500 0.097 0.000 0.718 378 K HN 0.129 nan 8.250 nan 0.000 0.442 379 P HA -0.093 nan 4.420 nan 0.000 0.221 379 P C 1.134 178.435 177.300 0.002 0.000 1.155 379 P CA 0.996 64.112 63.100 0.027 0.000 0.812 379 P CB 0.111 31.830 31.700 0.032 0.000 0.801 380 L N -0.495 120.729 121.223 0.003 0.000 2.079 380 L HA -0.140 4.216 4.340 0.027 0.000 0.210 380 L C 2.620 179.444 176.870 -0.077 0.000 1.081 380 L CA 1.242 56.054 54.840 -0.046 0.000 0.752 380 L CB -1.022 40.991 42.059 -0.077 0.000 0.896 380 L HN -0.167 nan 8.230 nan 0.000 0.433 381 V N -0.505 119.372 119.914 -0.062 0.000 2.515 381 V HA -0.223 3.914 4.120 0.027 0.000 0.250 381 V C 1.761 177.779 176.094 -0.128 0.000 1.058 381 V CA 1.718 63.942 62.300 -0.126 0.000 1.064 381 V CB -0.314 31.458 31.823 -0.085 0.000 0.675 381 V HN 0.489 nan 8.190 nan 0.000 0.461 382 E N -1.259 118.899 120.200 -0.070 0.000 2.526 382 E HA 0.033 4.400 4.350 0.027 0.000 0.208 382 E C 1.853 178.428 176.600 -0.042 0.000 0.997 382 E CA -0.181 56.185 56.400 -0.057 0.000 0.961 382 E CB 0.392 30.074 29.700 -0.030 0.000 1.030 382 E HN 0.517 nan 8.360 nan 0.000 0.483 383 E N 1.659 121.835 120.200 -0.041 0.000 2.046 383 E HA -0.094 4.272 4.350 0.027 0.000 0.190 383 E C -0.808 175.774 176.600 -0.031 0.000 0.982 383 E CA 1.025 57.407 56.400 -0.029 0.000 0.800 383 E CB -0.367 29.317 29.700 -0.027 0.000 0.756 383 E HN 0.141 nan 8.360 nan 0.000 0.449 384 P HA -0.119 nan 4.420 nan 0.000 0.213 384 P C 1.369 178.643 177.300 -0.044 0.000 1.170 384 P CA 1.309 64.382 63.100 -0.046 0.000 0.893 384 P CB -0.157 31.498 31.700 -0.075 0.000 0.784 385 Q N -0.298 119.462 119.800 -0.067 0.000 2.103 385 Q HA -0.282 4.074 4.340 0.027 0.000 0.213 385 Q C 2.081 178.063 176.000 -0.030 0.000 1.008 385 Q CA 2.274 58.041 55.803 -0.059 0.000 0.879 385 Q CB -0.835 27.858 28.738 -0.075 0.000 0.946 385 Q HN 0.394 nan 8.270 nan 0.000 0.413 386 N N -0.200 118.486 118.700 -0.022 0.000 2.069 386 N HA -0.191 4.565 4.740 0.027 0.000 0.191 386 N C 1.665 177.178 175.510 0.005 0.000 1.031 386 N CA 0.995 54.041 53.050 -0.007 0.000 0.852 386 N CB -0.105 38.379 38.487 -0.005 0.000 1.018 386 N HN 0.092 nan 8.380 nan 0.000 0.423 387 L N 0.852 122.079 121.223 0.007 0.000 2.044 387 L HA -0.014 4.343 4.340 0.027 0.000 0.205 387 L C 1.756 178.648 176.870 0.037 0.000 1.075 387 L CA 1.244 56.099 54.840 0.025 0.000 0.747 387 L CB -0.374 41.699 42.059 0.024 0.000 0.903 387 L HN 0.166 nan 8.230 nan 0.000 0.435 388 I N 0.042 120.625 120.570 0.023 0.000 2.335 388 I HA -0.309 3.877 4.170 0.027 0.000 0.251 388 I C 2.466 178.597 176.117 0.024 0.000 1.129 388 I CA 1.344 62.659 61.300 0.025 0.000 1.402 388 I CB -1.250 36.751 38.000 0.001 0.000 1.069 388 I HN 0.435 nan 8.210 nan 0.000 0.424 389 K N 0.428 120.838 120.400 0.016 0.000 2.026 389 K HA -0.212 4.125 4.320 0.027 0.000 0.208 389 K C 2.205 178.824 176.600 0.031 0.000 1.048 389 K CA 1.224 57.522 56.287 0.018 0.000 0.929 389 K CB -0.053 32.452 32.500 0.009 0.000 0.713 389 K HN 0.177 nan 8.250 nan 0.000 0.439 390 Q N 0.572 120.396 119.800 0.040 0.000 2.167 390 Q HA -0.101 4.256 4.340 0.027 0.000 0.202 390 Q C 1.088 177.141 176.000 0.088 0.000 0.970 390 Q CA 1.197 57.033 55.803 0.055 0.000 0.855 390 Q CB 0.039 28.807 28.738 0.051 0.000 0.911 390 Q HN 0.413 nan 8.270 nan 0.000 0.438 391 N N -0.881 117.883 118.700 0.107 0.000 2.398 391 N HA -0.011 4.746 4.740 0.027 0.000 0.188 391 N C 1.324 176.878 175.510 0.073 0.000 1.122 391 N CA 0.130 53.289 53.050 0.182 0.000 0.866 391 N CB 0.180 38.812 38.487 0.241 0.000 0.970 391 N HN 0.192 nan 8.380 nan 0.000 0.462 392 c N 0.302 118.920 118.600 0.032 0.000 2.587 392 c HA 0.075 4.662 4.570 0.027 0.000 0.287 392 c C 2.605 176.716 174.090 0.035 0.000 1.374 392 c CA 0.137 56.475 56.329 0.016 0.000 1.770 392 c CB -0.427 42.099 42.510 0.026 0.000 2.137 392 c HN 0.448 nan 8.230 nan 0.000 0.550 393 E N 0.544 120.758 120.200 0.022 0.000 2.265 393 E HA -0.210 4.157 4.350 0.027 0.000 0.196 393 E C 1.864 178.460 176.600 -0.007 0.000 0.996 393 E CA 0.700 57.100 56.400 -0.000 0.000 0.832 393 E CB -0.087 29.616 29.700 0.005 0.000 0.756 393 E HN 0.481 nan 8.360 nan 0.000 0.491 394 L N 0.141 121.383 121.223 0.032 0.000 2.027 394 L HA -0.072 4.285 4.340 0.027 0.000 0.206 394 L C 1.918 178.798 176.870 0.017 0.000 1.074 394 L CA 1.684 56.571 54.840 0.079 0.000 0.745 394 L CB -0.852 41.330 42.059 0.205 0.000 0.898 394 L HN 0.260 nan 8.230 nan 0.000 0.433 395 F N 0.911 120.638 119.950 -0.373 0.000 2.051 395 F HA -0.143 4.401 4.527 0.028 0.000 0.296 395 F C 2.036 177.670 175.800 -0.277 0.000 1.122 395 F CA 1.678 59.261 58.000 -0.694 0.000 1.201 395 F CB -0.567 37.761 39.000 -1.120 0.000 0.978 395 F HN 0.104 nan 8.300 nan 0.000 0.472 396 E N 0.855 120.718 120.200 -0.562 0.000 2.405 396 E HA -0.131 4.235 4.350 0.027 0.000 0.194 396 E C 0.577 177.011 176.600 -0.277 0.000 1.149 396 E CA 0.367 56.452 56.400 -0.524 0.000 0.933 396 E CB -0.518 29.037 29.700 -0.243 0.000 1.028 396 E HN 0.633 nan 8.360 nan 0.000 0.487 397 Q N 0.163 119.833 119.800 -0.218 0.000 2.106 397 Q HA 0.211 4.568 4.340 0.027 0.000 0.273 397 Q C 0.507 176.461 176.000 -0.076 0.000 0.853 397 Q CA 0.035 55.772 55.803 -0.110 0.000 1.118 397 Q CB 0.537 29.249 28.738 -0.044 0.000 1.240 397 Q HN 0.235 nan 8.270 nan 0.000 0.445 398 L N -2.430 118.712 121.223 -0.135 0.000 1.791 398 L HA 0.326 4.683 4.340 0.027 0.000 0.194 398 L C 0.546 177.391 176.870 -0.041 0.000 1.229 398 L CA 0.339 55.162 54.840 -0.029 0.000 1.234 398 L CB 0.850 42.979 42.059 0.117 0.000 2.550 398 L HN 0.323 nan 8.230 nan 0.000 0.511 399 G N 0.965 109.645 108.800 -0.200 0.000 2.661 399 G HA2 -0.214 3.762 3.960 0.027 0.000 0.685 399 G HA3 -0.214 3.762 3.960 0.027 0.000 0.685 399 G C -0.010 175.016 174.900 0.210 0.000 1.298 399 G CA 0.185 45.222 45.100 -0.105 0.000 0.855 399 G HN 0.235 nan 8.290 nan 0.000 0.560 400 E N -1.022 119.387 120.200 0.348 0.000 2.072 400 E HA -0.094 4.273 4.350 0.027 0.000 0.190 400 E C 1.991 178.814 176.600 0.371 0.000 0.982 400 E CA 1.583 58.273 56.400 0.483 0.000 0.803 400 E CB -0.089 29.836 29.700 0.375 0.000 0.755 400 E HN 0.620 nan 8.360 nan 0.000 0.453 401 Y N 1.469 121.881 120.300 0.186 0.000 2.220 401 Y HA -0.063 4.503 4.550 0.027 0.000 0.291 401 Y C 1.767 177.742 175.900 0.126 0.000 1.129 401 Y CA 1.564 59.742 58.100 0.130 0.000 1.161 401 Y CB 0.137 38.649 38.460 0.087 0.000 0.997 401 Y HN -0.124 nan 8.280 nan 0.000 0.522 402 K N -0.919 119.505 120.400 0.041 0.000 2.103 402 K HA -0.139 4.198 4.320 0.027 0.000 0.204 402 K C 1.985 178.594 176.600 0.015 0.000 1.052 402 K CA 1.358 57.611 56.287 -0.058 0.000 0.945 402 K CB -0.528 32.018 32.500 0.078 0.000 0.722 402 K HN 0.328 nan 8.250 nan 0.000 0.443 403 F N 2.931 122.890 119.950 0.015 0.000 2.186 403 F HA -0.148 4.395 4.527 0.027 0.000 0.299 403 F C 2.247 178.058 175.800 0.017 0.000 1.090 403 F CA 1.338 59.382 58.000 0.073 0.000 1.307 403 F CB -0.056 39.096 39.000 0.254 0.000 1.019 403 F HN 0.008 nan 8.300 nan 0.000 0.489 404 Q N 0.187 119.961 119.800 -0.043 0.000 2.002 404 Q HA -0.249 4.107 4.340 0.027 0.000 0.204 404 Q C 2.014 177.868 176.000 -0.244 0.000 0.988 404 Q CA 1.927 57.629 55.803 -0.167 0.000 0.843 404 Q CB -0.410 28.284 28.738 -0.073 0.000 0.908 404 Q HN 0.359 nan 8.270 nan 0.000 0.420 405 N N 0.609 119.136 118.700 -0.289 0.000 2.060 405 N HA -0.221 4.536 4.740 0.027 0.000 0.195 405 N C 1.598 176.999 175.510 -0.181 0.000 1.028 405 N CA 1.609 54.506 53.050 -0.256 0.000 0.861 405 N CB -0.626 37.660 38.487 -0.336 0.000 1.029 405 N HN 0.313 nan 8.380 nan 0.000 0.428 406 A N 0.799 123.509 122.820 -0.184 0.000 1.978 406 A HA -0.088 4.249 4.320 0.027 0.000 0.220 406 A C 2.321 179.807 177.584 -0.162 0.000 1.170 406 A CA 1.066 53.014 52.037 -0.148 0.000 0.636 406 A CB -0.640 18.286 19.000 -0.123 0.000 0.810 406 A HN 0.271 nan 8.150 nan 0.000 0.448 407 L N -1.073 120.000 121.223 -0.249 0.000 2.179 407 L HA -0.049 4.307 4.340 0.027 0.000 0.208 407 L C 2.429 179.277 176.870 -0.037 0.000 1.096 407 L CA 0.460 55.206 54.840 -0.157 0.000 0.779 407 L CB -0.501 41.375 42.059 -0.304 0.000 0.922 407 L HN 0.334 nan 8.230 nan 0.000 0.443 408 L N -0.671 120.499 121.223 -0.087 0.000 2.042 408 L HA -0.221 4.135 4.340 0.027 0.000 0.210 408 L C 2.526 179.395 176.870 -0.002 0.000 1.076 408 L CA 1.042 55.859 54.840 -0.039 0.000 0.749 408 L CB -0.549 41.475 42.059 -0.059 0.000 0.893 408 L HN 0.067 nan 8.230 nan 0.000 0.432 409 V N -0.326 119.571 119.914 -0.028 0.000 2.229 409 V HA -0.311 3.826 4.120 0.027 0.000 0.243 409 V C 2.626 178.717 176.094 -0.005 0.000 1.042 409 V CA 2.034 64.322 62.300 -0.020 0.000 1.000 409 V CB -0.628 31.174 31.823 -0.036 0.000 0.637 409 V HN 0.442 nan 8.190 nan 0.000 0.446 410 R N -1.109 119.389 120.500 -0.005 0.000 2.133 410 R HA -0.270 4.086 4.340 0.027 0.000 0.245 410 R C 2.292 178.566 176.300 -0.043 0.000 1.137 410 R CA 2.598 58.687 56.100 -0.018 0.000 0.947 410 R CB -0.515 29.788 30.300 0.004 0.000 0.865 410 R HN 0.556 nan 8.270 nan 0.000 0.437 411 Y N -0.101 120.159 120.300 -0.068 0.000 2.243 411 Y HA -0.071 4.495 4.550 0.027 0.000 0.293 411 Y C 2.618 178.487 175.900 -0.052 0.000 1.124 411 Y CA 1.797 59.864 58.100 -0.055 0.000 1.159 411 Y CB -0.223 38.191 38.460 -0.076 0.000 1.008 411 Y HN 0.134 nan 8.280 nan 0.000 0.527 412 T N -0.052 114.549 114.554 0.078 0.000 2.720 412 T HA -0.198 4.168 4.350 0.027 0.000 0.268 412 T C 1.751 176.419 174.700 -0.053 0.000 1.037 412 T CA 1.687 63.789 62.100 0.004 0.000 1.144 412 T CB -0.191 68.676 68.868 -0.002 0.000 0.864 412 T HN 0.254 nan 8.240 nan 0.000 0.444 413 K N 0.658 121.033 120.400 -0.041 0.000 2.211 413 K HA 0.013 4.349 4.320 0.027 0.000 0.203 413 K C 2.317 178.876 176.600 -0.067 0.000 1.050 413 K CA 0.912 57.171 56.287 -0.047 0.000 0.945 413 K CB 0.019 32.504 32.500 -0.026 0.000 0.732 413 K HN 0.243 nan 8.250 nan 0.000 0.451 414 K N 0.288 120.633 120.400 -0.092 0.000 2.167 414 K HA -0.029 4.308 4.320 0.027 0.000 0.203 414 K C 0.568 177.119 176.600 -0.080 0.000 1.052 414 K CA 0.956 57.177 56.287 -0.110 0.000 0.956 414 K CB 0.584 32.960 32.500 -0.206 0.000 0.735 414 K HN 0.028 nan 8.250 nan 0.000 0.451 415 V N -2.347 117.526 119.914 -0.067 0.000 2.546 415 V HA 0.259 4.396 4.120 0.027 0.000 0.260 415 V C -2.740 173.286 176.094 -0.113 0.000 0.933 415 V CA -1.452 60.814 62.300 -0.056 0.000 0.994 415 V CB 1.091 32.924 31.823 0.016 0.000 1.160 415 V HN -0.114 nan 8.190 nan 0.000 0.523 416 P HA -0.080 nan 4.420 nan 0.000 0.226 416 P C 1.437 178.492 177.300 -0.407 0.000 1.146 416 P CA 1.230 64.024 63.100 -0.510 0.000 0.773 416 P CB 0.286 31.222 31.700 -1.274 0.000 0.772 417 Q N -0.884 118.794 119.800 -0.204 0.000 2.119 417 Q HA -0.038 4.318 4.340 0.027 0.000 0.201 417 Q C 0.719 176.728 176.000 0.016 0.000 0.972 417 Q CA 0.651 56.430 55.803 -0.039 0.000 0.847 417 Q CB -0.895 27.869 28.738 0.042 0.000 0.903 417 Q HN 0.107 nan 8.270 nan 0.000 0.433 418 V N 1.415 121.347 119.914 0.030 0.000 2.872 418 V HA -0.027 4.109 4.120 0.027 0.000 0.307 418 V C 0.565 176.689 176.094 0.051 0.000 1.072 418 V CA -0.218 62.135 62.300 0.088 0.000 1.148 418 V CB 1.130 33.014 31.823 0.101 0.000 0.954 418 V HN 0.311 nan 8.190 nan 0.000 0.490 419 S N 3.236 118.972 115.700 0.059 0.000 2.558 419 S HA -0.041 4.445 4.470 0.027 0.000 0.291 419 S C 1.347 175.965 174.600 0.031 0.000 1.306 419 S CA 0.507 58.729 58.200 0.037 0.000 1.056 419 S CB 0.790 64.008 63.200 0.030 0.000 0.836 419 S HN 0.860 nan 8.310 nan 0.000 0.504 420 T N 5.789 120.361 114.554 0.030 0.000 2.643 420 T HA -0.018 4.348 4.350 0.027 0.000 0.264 420 T C -0.933 173.782 174.700 0.026 0.000 1.045 420 T CA 1.793 63.912 62.100 0.032 0.000 1.155 420 T CB -1.306 67.587 68.868 0.041 0.000 0.863 420 T HN 0.663 nan 8.240 nan 0.000 0.420 421 P HA -0.121 nan 4.420 nan 0.000 0.218 421 P C 1.503 178.809 177.300 0.009 0.000 1.154 421 P CA 1.521 64.632 63.100 0.019 0.000 0.872 421 P CB -0.375 31.334 31.700 0.015 0.000 0.790 422 T N -0.291 114.269 114.554 0.010 0.000 2.732 422 T HA -0.047 4.320 4.350 0.027 0.000 0.261 422 T C 1.923 176.613 174.700 -0.017 0.000 1.040 422 T CA 0.920 63.021 62.100 0.001 0.000 1.145 422 T CB -0.938 67.945 68.868 0.025 0.000 0.866 422 T HN 0.046 nan 8.240 nan 0.000 0.427 423 L N 0.941 122.160 121.223 -0.006 0.000 2.079 423 L HA -0.117 4.239 4.340 0.027 0.000 0.210 423 L C 2.618 179.463 176.870 -0.041 0.000 1.081 423 L CA 0.968 55.794 54.840 -0.023 0.000 0.752 423 L CB -0.568 41.493 42.059 0.004 0.000 0.896 423 L HN 0.153 nan 8.230 nan 0.000 0.433 424 V N -0.645 119.260 119.914 -0.014 0.000 2.427 424 V HA -0.269 3.867 4.120 0.027 0.000 0.248 424 V C 2.376 178.458 176.094 -0.020 0.000 1.051 424 V CA 1.818 64.114 62.300 -0.008 0.000 1.048 424 V CB -0.393 31.444 31.823 0.022 0.000 0.666 424 V HN 0.472 nan 8.190 nan 0.000 0.456 425 E N 0.077 120.263 120.200 -0.023 0.000 2.072 425 E HA -0.166 4.200 4.350 0.027 0.000 0.191 425 E C 2.136 178.697 176.600 -0.065 0.000 0.985 425 E CA 1.571 57.953 56.400 -0.029 0.000 0.801 425 E CB 0.069 29.754 29.700 -0.025 0.000 0.750 425 E HN 0.441 nan 8.360 nan 0.000 0.452 426 V N 0.164 120.015 119.914 -0.105 0.000 2.407 426 V HA -0.148 3.989 4.120 0.027 0.000 0.245 426 V C 2.278 178.232 176.094 -0.234 0.000 1.041 426 V CA 1.587 63.779 62.300 -0.181 0.000 1.040 426 V CB -0.216 31.472 31.823 -0.225 0.000 0.671 426 V HN 0.197 nan 8.190 nan 0.000 0.455 427 S N -0.037 115.529 115.700 -0.223 0.000 2.368 427 S HA -0.183 4.303 4.470 0.027 0.000 0.225 427 S C 2.108 176.614 174.600 -0.157 0.000 1.030 427 S CA 1.461 59.508 58.200 -0.254 0.000 0.999 427 S CB -0.302 62.783 63.200 -0.191 0.000 0.844 427 S HN 0.517 nan 8.310 nan 0.000 0.459 428 R N 1.320 121.771 120.500 -0.082 0.000 2.081 428 R HA -0.012 4.344 4.340 0.027 0.000 0.235 428 R C 1.947 178.256 176.300 0.015 0.000 1.131 428 R CA 1.505 57.597 56.100 -0.012 0.000 0.960 428 R CB -0.392 29.921 30.300 0.021 0.000 0.856 428 R HN 0.308 nan 8.270 nan 0.000 0.436 429 N N 0.528 119.220 118.700 -0.013 0.000 2.223 429 N HA -0.091 4.666 4.740 0.027 0.000 0.185 429 N C 1.695 177.233 175.510 0.046 0.000 1.016 429 N CA 0.899 53.963 53.050 0.024 0.000 0.863 429 N CB -0.096 38.351 38.487 -0.066 0.000 0.983 429 N HN 0.155 nan 8.380 nan 0.000 0.429 430 L N -0.404 120.774 121.223 -0.074 0.000 2.005 430 L HA -0.035 4.322 4.340 0.027 0.000 0.207 430 L C 2.323 179.247 176.870 0.091 0.000 1.072 430 L CA 1.352 56.157 54.840 -0.059 0.000 0.744 430 L CB -0.923 40.984 42.059 -0.254 0.000 0.895 430 L HN 0.244 nan 8.230 nan 0.000 0.433 431 G N -0.570 108.261 108.800 0.052 0.000 2.470 431 G HA2 -0.241 3.736 3.960 0.027 0.000 0.220 431 G HA3 -0.241 3.736 3.960 0.027 0.000 0.220 431 G C 1.570 176.578 174.900 0.180 0.000 1.121 431 G CA 0.264 45.489 45.100 0.208 0.000 0.766 431 G HN 0.244 nan 8.290 nan 0.000 0.553 432 K N 0.136 120.615 120.400 0.132 0.000 2.574 432 K HA 0.138 4.475 4.320 0.027 0.000 0.193 432 K C 2.059 178.608 176.600 -0.085 0.000 1.035 432 K CA -0.010 56.313 56.287 0.060 0.000 0.982 432 K CB 0.072 32.658 32.500 0.143 0.000 0.795 432 K HN 0.265 nan 8.250 nan 0.000 0.491 433 V N -0.317 119.607 119.914 0.017 0.000 2.446 433 V HA -0.052 4.085 4.120 0.027 0.000 0.244 433 V C 2.023 177.925 176.094 -0.321 0.000 1.039 433 V CA 1.922 64.144 62.300 -0.130 0.000 1.045 433 V CB -0.125 31.802 31.823 0.174 0.000 0.681 433 V HN 0.442 nan 8.190 nan 0.000 0.459 434 G N -0.007 108.507 108.800 -0.477 0.000 2.513 434 G HA2 -0.307 3.670 3.960 0.027 0.000 0.219 434 G HA3 -0.307 3.670 3.960 0.027 0.000 0.219 434 G C 1.741 175.801 174.900 -1.400 0.000 1.160 434 G CA 1.475 45.837 45.100 -1.230 0.000 0.767 434 G HN 0.592 nan 8.290 nan 0.000 0.571 435 S N 0.017 115.124 115.700 -0.988 0.000 2.402 435 S HA -0.019 4.467 4.470 0.027 0.000 0.229 435 S C 2.000 176.472 174.600 -0.213 0.000 1.021 435 S CA 1.371 59.352 58.200 -0.365 0.000 0.974 435 S CB -0.051 63.086 63.200 -0.105 0.000 0.800 435 S HN 0.478 nan 8.310 nan 0.000 0.484 436 K N -0.148 120.088 120.400 -0.274 0.000 2.284 436 K HA 0.154 4.490 4.320 0.027 0.000 0.198 436 K C 1.199 177.729 176.600 -0.116 0.000 1.048 436 K CA 0.635 56.799 56.287 -0.206 0.000 0.987 436 K CB 0.118 32.417 32.500 -0.335 0.000 0.800 436 K HN 0.372 nan 8.250 nan 0.000 0.486 437 c N -0.214 118.302 118.600 -0.140 0.000 2.800 437 c HA 0.216 4.803 4.570 0.027 0.000 0.379 437 c C 1.197 175.301 174.090 0.023 0.000 1.304 437 c CA -0.574 55.755 56.329 -0.000 0.000 1.960 437 c CB -0.007 42.471 42.510 -0.053 0.000 2.599 437 c HN 0.430 nan 8.230 nan 0.000 0.578 438 c N 2.859 121.409 118.600 -0.084 0.000 3.506 438 c HA 0.181 4.767 4.570 0.027 0.000 0.578 438 c C 1.705 175.817 174.090 0.038 0.000 1.153 438 c CA 0.277 56.613 56.329 0.011 0.000 1.248 438 c CB -2.185 40.385 42.510 0.099 0.000 1.532 438 c HN 0.641 nan 8.230 nan 0.000 0.646 439 K N 0.340 120.724 120.400 -0.026 0.000 2.412 439 K HA 0.152 4.489 4.320 0.027 0.000 0.201 439 K C 0.970 177.481 176.600 -0.149 0.000 1.275 439 K CA 0.488 56.693 56.287 -0.136 0.000 0.910 439 K CB -0.216 32.100 32.500 -0.306 0.000 1.346 439 K HN 0.586 nan 8.250 nan 0.000 0.490 440 H N 1.757 120.819 119.070 -0.013 0.000 2.598 440 H HA 0.173 4.745 4.556 0.028 0.000 0.371 440 H C -1.902 173.421 175.328 -0.008 0.000 1.468 440 H CA -0.923 55.118 56.048 -0.012 0.000 1.454 440 H CB -0.141 29.610 29.762 -0.018 0.000 1.579 440 H HN 0.263 nan 8.280 nan 0.000 0.611 441 P HA 0.070 nan 4.420 nan 0.000 0.279 441 P C 0.386 177.719 177.300 0.055 0.000 1.282 441 P CA -0.289 62.852 63.100 0.068 0.000 0.788 441 P CB 1.073 32.803 31.700 0.049 0.000 1.139 442 E N 0.698 120.913 120.200 0.024 0.000 2.049 442 E HA -0.180 4.186 4.350 0.027 0.000 0.198 442 E C 2.011 178.600 176.600 -0.018 0.000 1.007 442 E CA 2.338 58.739 56.400 0.002 0.000 0.809 442 E CB -1.472 28.225 29.700 -0.006 0.000 0.749 442 E HN 0.544 nan 8.360 nan 0.000 0.450 443 A N -0.050 122.762 122.820 -0.014 0.000 2.272 443 A HA -0.179 4.158 4.320 0.027 0.000 0.213 443 A C 1.386 178.940 177.584 -0.049 0.000 1.183 443 A CA 1.337 53.358 52.037 -0.026 0.000 0.719 443 A CB -0.211 18.789 19.000 0.001 0.000 0.771 443 A HN 0.117 nan 8.150 nan 0.000 0.484 444 K N -2.070 118.290 120.400 -0.067 0.000 2.529 444 K HA 0.165 4.501 4.320 0.027 0.000 0.215 444 K C 1.651 178.133 176.600 -0.196 0.000 1.286 444 K CA -0.218 55.969 56.287 -0.166 0.000 0.997 444 K CB 0.437 32.787 32.500 -0.250 0.000 1.063 444 K HN 0.298 nan 8.250 nan 0.000 0.590 445 R N 0.849 121.301 120.500 -0.080 0.000 2.092 445 R HA 0.071 4.428 4.340 0.027 0.000 0.231 445 R C 2.235 178.498 176.300 -0.062 0.000 1.119 445 R CA 1.112 57.187 56.100 -0.041 0.000 0.970 445 R CB -0.015 30.285 30.300 0.000 0.000 0.864 445 R HN 0.134 nan 8.270 nan 0.000 0.440 446 M N 0.890 120.442 119.600 -0.080 0.000 2.123 446 M HA -0.043 4.453 4.480 0.027 0.000 0.263 446 M C -0.938 175.310 176.300 -0.087 0.000 1.069 446 M CA 1.586 56.834 55.300 -0.086 0.000 1.133 446 M CB -0.796 31.728 32.600 -0.126 0.000 1.356 446 M HN -0.091 nan 8.290 nan 0.000 0.415 447 P HA -0.074 nan 4.420 nan 0.000 0.221 447 P C 1.767 179.030 177.300 -0.062 0.000 1.150 447 P CA 0.915 63.965 63.100 -0.084 0.000 0.800 447 P CB -0.394 31.255 31.700 -0.085 0.000 0.787 448 c N 0.077 118.623 118.600 -0.089 0.000 2.496 448 c HA 0.009 4.595 4.570 0.027 0.000 0.281 448 c C 2.854 176.949 174.090 0.008 0.000 1.250 448 c CA 1.676 57.966 56.329 -0.065 0.000 1.717 448 c CB -1.533 40.910 42.510 -0.111 0.000 2.082 448 c HN 0.230 nan 8.230 nan 0.000 0.472 449 A N -0.270 122.551 122.820 0.003 0.000 1.865 449 A HA -0.241 4.095 4.320 0.027 0.000 0.217 449 A C 2.167 179.800 177.584 0.082 0.000 1.191 449 A CA 2.135 54.203 52.037 0.052 0.000 0.623 449 A CB -1.037 17.977 19.000 0.023 0.000 0.826 449 A HN 0.816 nan 8.150 nan 0.000 0.444 450 E N -0.701 119.516 120.200 0.028 0.000 2.106 450 E HA -0.190 4.177 4.350 0.027 0.000 0.192 450 E C 1.185 177.810 176.600 0.043 0.000 0.984 450 E CA 1.202 57.611 56.400 0.016 0.000 0.806 450 E CB -0.029 29.648 29.700 -0.037 0.000 0.750 450 E HN 0.568 nan 8.360 nan 0.000 0.458 451 D N -0.602 119.836 120.400 0.063 0.000 2.162 451 D HA -0.136 4.520 4.640 0.027 0.000 0.203 451 D C 1.468 177.854 176.300 0.142 0.000 0.967 451 D CA 0.645 54.715 54.000 0.116 0.000 0.840 451 D CB -0.359 40.502 40.800 0.102 0.000 0.972 451 D HN 0.235 nan 8.370 nan 0.000 0.482 452 Y N 1.203 121.509 120.300 0.009 0.000 2.352 452 Y HA -0.040 4.527 4.550 0.028 0.000 0.292 452 Y C 1.872 177.761 175.900 -0.017 0.000 1.136 452 Y CA 1.012 59.108 58.100 -0.006 0.000 1.227 452 Y CB -0.171 38.279 38.460 -0.016 0.000 0.991 452 Y HN -0.080 nan 8.280 nan 0.000 0.545 453 L N -1.308 119.909 121.223 -0.009 0.000 2.217 453 L HA -0.168 4.189 4.340 0.027 0.000 0.211 453 L C 2.449 179.255 176.870 -0.107 0.000 1.107 453 L CA 1.034 55.815 54.840 -0.098 0.000 0.783 453 L CB -0.532 41.523 42.059 -0.005 0.000 0.919 453 L HN 0.102 nan 8.230 nan 0.000 0.442 454 S N -0.268 115.422 115.700 -0.016 0.000 2.353 454 S HA -0.178 4.308 4.470 0.027 0.000 0.222 454 S C 2.045 176.595 174.600 -0.083 0.000 1.035 454 S CA 1.394 59.615 58.200 0.035 0.000 1.025 454 S CB -0.293 63.047 63.200 0.233 0.000 0.902 454 S HN 0.155 nan 8.310 nan 0.000 0.440 455 V N 1.524 121.352 119.914 -0.143 0.000 2.255 455 V HA -0.165 3.971 4.120 0.027 0.000 0.247 455 V C 2.351 178.289 176.094 -0.260 0.000 1.051 455 V CA 1.658 63.832 62.300 -0.210 0.000 1.018 455 V CB -0.783 30.910 31.823 -0.216 0.000 0.641 455 V HN 0.334 nan 8.190 nan 0.000 0.445 456 V N -0.307 119.377 119.914 -0.383 0.000 2.295 456 V HA -0.247 3.889 4.120 0.027 0.000 0.246 456 V C 2.270 178.190 176.094 -0.289 0.000 1.049 456 V CA 2.016 64.087 62.300 -0.382 0.000 1.024 456 V CB -0.564 30.953 31.823 -0.509 0.000 0.648 456 V HN 0.450 nan 8.190 nan 0.000 0.447 457 L N 0.343 121.396 121.223 -0.283 0.000 2.275 457 L HA -0.155 4.201 4.340 0.027 0.000 0.215 457 L C 2.301 179.067 176.870 -0.173 0.000 1.119 457 L CA 1.541 56.203 54.840 -0.297 0.000 0.790 457 L CB -0.690 41.173 42.059 -0.327 0.000 0.919 457 L HN 0.444 nan 8.230 nan 0.000 0.443 458 N N -0.653 117.968 118.700 -0.132 0.000 2.216 458 N HA -0.184 4.573 4.740 0.027 0.000 0.183 458 N C 1.962 177.414 175.510 -0.097 0.000 1.017 458 N CA 0.872 53.870 53.050 -0.087 0.000 0.861 458 N CB 0.167 38.587 38.487 -0.112 0.000 0.986 458 N HN 0.176 nan 8.380 nan 0.000 0.428 459 Q N 0.225 119.950 119.800 -0.125 0.000 2.050 459 Q HA -0.136 4.220 4.340 0.027 0.000 0.202 459 Q C 2.071 178.024 176.000 -0.078 0.000 0.980 459 Q CA 0.927 56.668 55.803 -0.104 0.000 0.840 459 Q CB -0.792 27.880 28.738 -0.111 0.000 0.898 459 Q HN 0.442 nan 8.270 nan 0.000 0.424 460 L N 0.589 121.749 121.223 -0.105 0.000 2.042 460 L HA -0.189 4.168 4.340 0.027 0.000 0.210 460 L C 2.320 179.194 176.870 0.006 0.000 1.076 460 L CA 1.778 56.572 54.840 -0.076 0.000 0.749 460 L CB -0.977 40.978 42.059 -0.172 0.000 0.893 460 L HN 0.181 nan 8.230 nan 0.000 0.432 461 c N -0.992 117.612 118.600 0.008 0.000 2.386 461 c HA -0.199 4.388 4.570 0.027 0.000 0.279 461 c C 2.897 177.032 174.090 0.074 0.000 1.208 461 c CA 1.550 57.923 56.329 0.074 0.000 1.747 461 c CB -1.228 41.328 42.510 0.076 0.000 2.046 461 c HN 0.651 nan 8.230 nan 0.000 0.453 462 V N -0.101 119.818 119.914 0.007 0.000 2.490 462 V HA -0.152 3.985 4.120 0.027 0.000 0.250 462 V C 2.040 178.135 176.094 0.000 0.000 1.061 462 V CA 1.981 64.267 62.300 -0.022 0.000 1.064 462 V CB -1.040 30.724 31.823 -0.098 0.000 0.670 462 V HN 0.627 nan 8.190 nan 0.000 0.461 463 L N -0.098 121.132 121.223 0.012 0.000 2.201 463 L HA -0.104 4.253 4.340 0.027 0.000 0.212 463 L C 2.687 179.589 176.870 0.052 0.000 1.105 463 L CA 2.093 56.944 54.840 0.018 0.000 0.775 463 L CB -0.720 41.343 42.059 0.008 0.000 0.913 463 L HN 0.505 nan 8.230 nan 0.000 0.440 464 H N -0.210 118.855 119.070 -0.008 0.000 2.415 464 H HA -0.140 4.432 4.556 0.026 0.000 0.297 464 H C 2.203 177.531 175.328 0.000 0.000 1.048 464 H CA 1.392 57.444 56.048 0.007 0.000 1.365 464 H CB 0.321 30.102 29.762 0.032 0.000 1.421 464 H HN 0.230 nan 8.280 nan 0.000 0.533 465 E N 0.682 120.930 120.200 0.081 0.000 2.171 465 E HA -0.258 4.109 4.350 0.027 0.000 0.197 465 E C 2.108 178.673 176.600 -0.058 0.000 0.997 465 E CA 1.196 57.602 56.400 0.009 0.000 0.810 465 E CB -0.000 29.709 29.700 0.016 0.000 0.738 465 E HN 0.419 nan 8.360 nan 0.000 0.467 466 K N -0.282 120.086 120.400 -0.053 0.000 2.015 466 K HA -0.162 4.174 4.320 0.027 0.000 0.216 466 K C 0.415 176.961 176.600 -0.091 0.000 1.052 466 K CA 1.844 58.096 56.287 -0.059 0.000 0.937 466 K CB -0.114 32.362 32.500 -0.040 0.000 0.719 466 K HN 0.229 nan 8.250 nan 0.000 0.446 467 T N 0.167 114.634 114.554 -0.145 0.000 3.160 467 T HA 0.341 4.707 4.350 0.027 0.000 0.344 467 T C -2.805 171.707 174.700 -0.313 0.000 0.981 467 T CA -1.768 60.234 62.100 -0.164 0.000 1.170 467 T CB 1.622 70.430 68.868 -0.102 0.000 1.016 467 T HN -0.020 nan 8.240 nan 0.000 0.492 468 P HA 0.322 nan 4.420 nan 0.000 0.269 468 P C 0.288 177.440 177.300 -0.246 0.000 1.215 468 P CA -0.358 62.410 63.100 -0.552 0.000 0.780 468 P CB 1.550 33.130 31.700 -0.200 0.000 0.898 469 V N -0.788 119.076 119.914 -0.084 0.000 3.264 469 V HA 0.095 4.231 4.120 0.027 0.000 0.262 469 V C 0.717 176.896 176.094 0.141 0.000 1.616 469 V CA 0.536 62.873 62.300 0.063 0.000 1.033 469 V CB 0.356 32.216 31.823 0.062 0.000 0.865 469 V HN 0.776 nan 8.190 nan 0.000 0.420 470 S N -0.090 115.758 115.700 0.247 0.000 2.538 470 S HA 0.385 4.872 4.470 0.027 0.000 0.288 470 S C 0.066 174.730 174.600 0.107 0.000 1.108 470 S CA -0.438 57.839 58.200 0.129 0.000 0.971 470 S CB 2.106 65.347 63.200 0.069 0.000 1.041 470 S HN 0.168 nan 8.310 nan 0.000 0.483 471 D N 2.976 123.409 120.400 0.054 0.000 2.144 471 D HA -0.086 4.570 4.640 0.027 0.000 0.199 471 D C 1.830 178.114 176.300 -0.027 0.000 0.984 471 D CA 1.059 55.075 54.000 0.026 0.000 0.834 471 D CB -0.078 40.729 40.800 0.012 0.000 0.955 471 D HN 0.615 nan 8.370 nan 0.000 0.465 472 R N 0.531 120.998 120.500 -0.056 0.000 2.091 472 R HA -0.103 4.253 4.340 0.027 0.000 0.238 472 R C 2.466 178.642 176.300 -0.206 0.000 1.136 472 R CA 0.875 56.900 56.100 -0.126 0.000 0.959 472 R CB -0.389 29.838 30.300 -0.121 0.000 0.856 472 R HN 0.100 nan 8.270 nan 0.000 0.437 473 V N 0.356 120.153 119.914 -0.194 0.000 2.358 473 V HA -0.203 3.933 4.120 0.027 0.000 0.246 473 V C 2.137 178.112 176.094 -0.199 0.000 1.047 473 V CA 2.117 64.257 62.300 -0.266 0.000 1.035 473 V CB -0.557 30.961 31.823 -0.509 0.000 0.658 473 V HN 0.407 nan 8.190 nan 0.000 0.452 474 T N -0.346 114.155 114.554 -0.088 0.000 2.746 474 T HA -0.259 4.108 4.350 0.027 0.000 0.267 474 T C 1.927 176.618 174.700 -0.014 0.000 1.039 474 T CA 1.896 64.014 62.100 0.029 0.000 1.142 474 T CB -0.163 68.760 68.868 0.091 0.000 0.866 474 T HN 0.435 nan 8.240 nan 0.000 0.444 475 K N 0.192 120.557 120.400 -0.058 0.000 1.985 475 K HA -0.087 4.250 4.320 0.027 0.000 0.210 475 K C 2.517 179.062 176.600 -0.092 0.000 1.047 475 K CA 1.438 57.685 56.287 -0.068 0.000 0.932 475 K CB -0.479 31.968 32.500 -0.090 0.000 0.716 475 K HN 0.266 nan 8.250 nan 0.000 0.439 476 c N 0.336 118.810 118.600 -0.210 0.000 2.419 476 c HA -0.102 4.484 4.570 0.027 0.000 0.281 476 c C 2.647 176.696 174.090 -0.069 0.000 1.336 476 c CA 0.493 56.647 56.329 -0.292 0.000 1.770 476 c CB -0.882 41.097 42.510 -0.884 0.000 1.929 476 c HN 0.656 nan 8.230 nan 0.000 0.509 477 c N -0.630 117.980 118.600 0.017 0.000 2.594 477 c HA 0.028 4.614 4.570 0.027 0.000 0.265 477 c C 2.497 176.694 174.090 0.179 0.000 1.351 477 c CA 0.954 57.370 56.329 0.146 0.000 1.744 477 c CB -1.348 41.247 42.510 0.140 0.000 1.890 477 c HN 0.693 nan 8.230 nan 0.000 0.551 478 T N -0.341 114.284 114.554 0.119 0.000 3.023 478 T HA -0.023 4.343 4.350 0.027 0.000 0.249 478 T C 1.623 176.439 174.700 0.194 0.000 1.050 478 T CA 0.525 62.694 62.100 0.115 0.000 1.088 478 T CB 0.162 69.052 68.868 0.038 0.000 0.946 478 T HN 0.535 nan 8.240 nan 0.000 0.480 479 E N 1.431 121.718 120.200 0.145 0.000 2.046 479 E HA 0.028 4.395 4.350 0.027 0.000 0.190 479 E C 0.438 177.127 176.600 0.148 0.000 0.982 479 E CA 0.606 57.072 56.400 0.110 0.000 0.800 479 E CB 0.291 30.011 29.700 0.033 0.000 0.756 479 E HN 0.247 nan 8.360 nan 0.000 0.449 480 S N -0.815 114.959 115.700 0.123 0.000 2.240 480 S HA 0.037 4.524 4.470 0.027 0.000 0.234 480 S C 0.292 174.794 174.600 -0.164 0.000 0.850 480 S CA -0.353 57.828 58.200 -0.031 0.000 1.015 480 S CB -0.051 63.126 63.200 -0.038 0.000 1.268 480 S HN 0.300 nan 8.310 nan 0.000 0.384 481 L N 5.998 126.902 121.223 -0.532 0.000 2.113 481 L HA -0.194 4.163 4.340 0.027 0.000 0.237 481 L C 1.966 178.774 176.870 -0.103 0.000 1.113 481 L CA 3.106 57.689 54.840 -0.428 0.000 0.837 481 L CB -1.487 40.013 42.059 -0.933 0.000 0.929 481 L HN 0.618 nan 8.230 nan 0.000 0.449 482 V N 0.150 119.991 119.914 -0.121 0.000 2.231 482 V HA -0.400 3.736 4.120 0.027 0.000 0.250 482 V C 2.150 178.210 176.094 -0.057 0.000 1.058 482 V CA 2.627 64.876 62.300 -0.085 0.000 1.022 482 V CB -0.920 30.800 31.823 -0.173 0.000 0.640 482 V HN 0.681 nan 8.190 nan 0.000 0.445 483 N N -0.878 117.785 118.700 -0.060 0.000 2.575 483 N HA -0.052 4.705 4.740 0.027 0.000 0.192 483 N C 1.707 177.231 175.510 0.023 0.000 1.200 483 N CA -0.089 52.943 53.050 -0.030 0.000 0.897 483 N CB -0.089 38.374 38.487 -0.039 0.000 0.990 483 N HN 0.423 nan 8.380 nan 0.000 0.449 484 R N 0.869 121.409 120.500 0.067 0.000 2.096 484 R HA -0.161 4.195 4.340 0.027 0.000 0.240 484 R C 2.285 178.759 176.300 0.291 0.000 1.139 484 R CA 1.304 57.510 56.100 0.178 0.000 0.952 484 R CB -0.152 30.279 30.300 0.217 0.000 0.854 484 R HN 0.264 nan 8.270 nan 0.000 0.436 485 R N 0.405 121.023 120.500 0.197 0.000 2.057 485 R HA -0.052 4.305 4.340 0.027 0.000 0.229 485 R C -0.825 175.576 176.300 0.168 0.000 1.136 485 R CA 1.130 57.351 56.100 0.202 0.000 0.952 485 R CB -1.051 29.305 30.300 0.095 0.000 0.848 485 R HN 0.178 nan 8.270 nan 0.000 0.430 486 P HA -0.123 nan 4.420 nan 0.000 0.219 486 P C 1.635 178.950 177.300 0.025 0.000 1.146 486 P CA 0.926 64.050 63.100 0.042 0.000 0.808 486 P CB -0.384 31.319 31.700 0.004 0.000 0.779 487 c N -1.729 116.879 118.600 0.013 0.000 2.440 487 c HA -0.077 4.509 4.570 0.027 0.000 0.278 487 c C 2.517 176.522 174.090 -0.142 0.000 1.295 487 c CA 0.456 56.734 56.329 -0.085 0.000 1.738 487 c CB -2.169 40.255 42.510 -0.143 0.000 1.987 487 c HN 0.025 nan 8.230 nan 0.000 0.492 488 F N 1.376 121.314 119.950 -0.021 0.000 2.128 488 F HA -0.031 4.512 4.527 0.026 0.000 0.295 488 F C 2.794 178.544 175.800 -0.083 0.000 1.100 488 F CA 1.964 59.943 58.000 -0.035 0.000 1.260 488 F CB -0.763 38.264 39.000 0.044 0.000 1.009 488 F HN 0.087 nan 8.300 nan 0.000 0.476 489 S N 0.034 115.821 115.700 0.145 0.000 2.374 489 S HA -0.232 4.255 4.470 0.027 0.000 0.227 489 S C 2.138 176.732 174.600 -0.010 0.000 1.037 489 S CA 1.235 59.463 58.200 0.046 0.000 1.024 489 S CB -0.750 62.483 63.200 0.055 0.000 0.861 489 S HN 0.356 nan 8.310 nan 0.000 0.456 490 A N 0.681 123.491 122.820 -0.017 0.000 2.235 490 A HA 0.297 4.633 4.320 0.027 0.000 0.208 490 A C 0.787 178.335 177.584 -0.061 0.000 1.172 490 A CA 0.126 52.140 52.037 -0.038 0.000 0.786 490 A CB -0.403 18.576 19.000 -0.036 0.000 0.804 490 A HN 0.391 nan 8.150 nan 0.000 0.479 491 L N -0.546 120.628 121.223 -0.082 0.000 2.464 491 L HA 0.405 4.762 4.340 0.027 0.000 0.264 491 L C 0.690 177.504 176.870 -0.092 0.000 1.199 491 L CA -0.136 54.644 54.840 -0.100 0.000 0.818 491 L CB 0.421 42.404 42.059 -0.126 0.000 1.102 491 L HN 0.296 nan 8.230 nan 0.000 0.473 492 E N -0.274 119.876 120.200 -0.083 0.000 2.296 492 E HA 0.326 4.693 4.350 0.027 0.000 0.224 492 E C -1.375 175.184 176.600 -0.067 0.000 0.949 492 E CA -0.660 55.693 56.400 -0.078 0.000 0.879 492 E CB 1.274 30.942 29.700 -0.054 0.000 1.922 492 E HN 0.166 nan 8.360 nan 0.000 0.437 493 V N 1.772 121.658 119.914 -0.048 0.000 2.788 493 V HA 0.084 4.220 4.120 0.027 0.000 0.307 493 V C -0.305 175.780 176.094 -0.016 0.000 1.069 493 V CA 0.538 62.819 62.300 -0.032 0.000 1.173 493 V CB 0.843 32.658 31.823 -0.013 0.000 0.925 493 V HN 0.551 nan 8.190 nan 0.000 0.492 494 D N 4.293 124.690 120.400 -0.005 0.000 2.225 494 D HA 0.299 4.955 4.640 0.027 0.000 0.249 494 D C 0.337 176.678 176.300 0.069 0.000 1.052 494 D CA -0.261 53.752 54.000 0.022 0.000 0.909 494 D CB 1.798 42.604 40.800 0.010 0.000 1.186 494 D HN 0.702 nan 8.370 nan 0.000 0.431 495 E N 0.944 121.187 120.200 0.072 0.000 2.629 495 E HA -0.007 4.360 4.350 0.027 0.000 0.197 495 E C 1.887 178.534 176.600 0.079 0.000 0.955 495 E CA 0.417 56.858 56.400 0.069 0.000 1.191 495 E CB -0.679 29.043 29.700 0.036 0.000 1.175 495 E HN 0.440 nan 8.360 nan 0.000 0.501 496 T N 1.697 116.292 114.554 0.069 0.000 2.714 496 T HA -0.244 4.122 4.350 0.027 0.000 0.268 496 T C 0.880 175.628 174.700 0.080 0.000 1.036 496 T CA 1.203 63.338 62.100 0.060 0.000 1.148 496 T CB -0.656 68.245 68.868 0.056 0.000 0.856 496 T HN 0.150 nan 8.240 nan 0.000 0.462 497 Y N 3.541 123.846 120.300 0.007 0.000 2.853 497 Y HA 0.202 4.769 4.550 0.028 0.000 0.365 497 Y C 0.355 176.261 175.900 0.010 0.000 1.310 497 Y CA -0.932 57.175 58.100 0.012 0.000 1.703 497 Y CB -0.434 38.036 38.460 0.016 0.000 1.238 497 Y HN -0.073 nan 8.280 nan 0.000 0.510 498 V N 10.034 129.696 119.914 -0.419 0.000 2.655 498 V HA 0.155 4.291 4.120 0.027 0.000 0.300 498 V C -1.726 173.898 176.094 -0.784 0.000 1.044 498 V CA -1.683 60.363 62.300 -0.422 0.000 1.095 498 V CB 0.447 32.132 31.823 -0.229 0.000 0.952 498 V HN 0.771 nan 8.190 nan 0.000 0.485 499 P HA 0.164 nan 4.420 nan 0.000 0.273 499 P C -1.243 175.881 177.300 -0.293 0.000 1.258 499 P CA -0.109 62.773 63.100 -0.363 0.000 0.802 499 P CB 0.362 31.984 31.700 -0.130 0.000 1.040 500 K N 0.135 120.442 120.400 -0.155 0.000 2.345 500 K HA 0.169 4.506 4.320 0.027 0.000 0.255 500 K C 0.588 176.983 176.600 -0.341 0.000 0.934 500 K CA -0.464 55.694 56.287 -0.215 0.000 0.801 500 K CB 1.572 33.985 32.500 -0.146 0.000 1.137 500 K HN 0.294 nan 8.250 nan 0.000 0.424 501 E N 2.413 122.455 120.200 -0.263 0.000 2.148 501 E HA -0.007 4.359 4.350 0.027 0.000 0.259 501 E C -0.903 175.657 176.600 -0.067 0.000 0.874 501 E CA 1.456 57.791 56.400 -0.108 0.000 1.367 501 E CB 0.138 29.821 29.700 -0.027 0.000 0.891 501 E HN 0.366 nan 8.360 nan 0.000 0.598 502 F N -0.286 119.623 119.950 -0.068 0.000 2.669 502 F HA 0.391 4.935 4.527 0.028 0.000 0.315 502 F C -1.374 174.553 175.800 0.212 0.000 1.109 502 F CA -0.812 57.332 58.000 0.240 0.000 1.028 502 F CB 1.206 40.357 39.000 0.252 0.000 1.287 502 F HN 0.208 nan 8.300 nan 0.000 0.452 503 N N 2.348 121.380 118.700 0.555 0.000 2.380 503 N HA 0.747 5.503 4.740 0.027 0.000 0.290 503 N C -0.091 175.613 175.510 0.324 0.000 1.236 503 N CA -0.064 53.149 53.050 0.271 0.000 0.780 503 N CB 2.192 40.679 38.487 0.000 0.000 1.438 503 N HN 0.628 nan 8.380 nan 0.000 0.491 504 A N 0.798 123.713 122.820 0.158 0.000 1.941 504 A HA 0.086 4.422 4.320 0.027 0.000 0.214 504 A C 1.486 179.089 177.584 0.032 0.000 1.368 504 A CA 0.604 52.715 52.037 0.122 0.000 0.651 504 A CB -0.463 18.581 19.000 0.074 0.000 1.064 504 A HN 0.725 nan 8.150 nan 0.000 0.492 505 E N -0.058 120.142 120.200 0.001 0.000 2.204 505 E HA -0.117 4.250 4.350 0.027 0.000 0.195 505 E C 1.888 178.454 176.600 -0.056 0.000 0.990 505 E CA 1.478 57.868 56.400 -0.017 0.000 0.821 505 E CB -0.287 29.424 29.700 0.017 0.000 0.750 505 E HN 0.598 nan 8.360 nan 0.000 0.477 506 T N 0.446 114.921 114.554 -0.133 0.000 2.708 506 T HA -0.127 4.239 4.350 0.027 0.000 0.266 506 T C 1.413 175.940 174.700 -0.287 0.000 1.037 506 T CA 1.148 63.084 62.100 -0.275 0.000 1.146 506 T CB -0.231 68.325 68.868 -0.521 0.000 0.865 506 T HN 0.191 nan 8.240 nan 0.000 0.435 507 F N 1.437 121.359 119.950 -0.046 0.000 2.746 507 F HA 0.158 4.702 4.527 0.027 0.000 0.297 507 F C 1.279 176.698 175.800 -0.635 0.000 1.113 507 F CA -0.386 57.530 58.000 -0.140 0.000 1.367 507 F CB 0.025 39.031 39.000 0.010 0.000 1.111 507 F HN 0.042 nan 8.300 nan 0.000 0.590 508 T N -0.433 113.908 114.554 -0.355 0.000 2.817 508 T HA 0.458 4.824 4.350 0.027 0.000 0.293 508 T C -0.625 173.798 174.700 -0.463 0.000 0.964 508 T CA -0.456 61.306 62.100 -0.563 0.000 1.085 508 T CB 0.513 69.218 68.868 -0.273 0.000 0.921 508 T HN -0.026 nan 8.240 nan 0.000 0.502 509 F N 0.819 120.822 119.950 0.090 0.000 2.450 509 F HA 0.480 5.024 4.527 0.027 0.000 0.332 509 F C 1.238 176.963 175.800 -0.126 0.000 1.093 509 F CA -1.404 56.639 58.000 0.071 0.000 1.003 509 F CB 0.984 40.097 39.000 0.189 0.000 1.151 509 F HN 0.537 nan 8.300 nan 0.000 0.474 510 H N 0.576 119.614 119.070 -0.053 0.000 2.437 510 H HA 0.332 4.905 4.556 0.027 0.000 0.338 510 H C 0.790 175.573 175.328 -0.909 0.000 1.495 510 H CA 0.193 56.037 56.048 -0.340 0.000 1.453 510 H CB 1.374 31.035 29.762 -0.169 0.000 1.707 510 H HN 0.791 nan 8.280 nan 0.000 0.655 511 A N 0.658 123.075 122.820 -0.671 0.000 2.121 511 A HA -0.165 4.171 4.320 0.027 0.000 0.218 511 A C 1.784 179.195 177.584 -0.288 0.000 1.154 511 A CA 1.285 52.924 52.037 -0.664 0.000 0.679 511 A CB -0.513 18.352 19.000 -0.226 0.000 0.795 511 A HN 0.792 nan 8.150 nan 0.000 0.458 512 D N 0.639 120.935 120.400 -0.174 0.000 2.203 512 D HA -0.254 4.402 4.640 0.027 0.000 0.199 512 D C 1.585 177.848 176.300 -0.062 0.000 0.997 512 D CA 1.545 55.495 54.000 -0.084 0.000 0.863 512 D CB -0.715 40.055 40.800 -0.050 0.000 0.928 512 D HN 0.511 nan 8.370 nan 0.000 0.458 513 I N -0.151 120.367 120.570 -0.087 0.000 2.394 513 I HA -0.237 3.950 4.170 0.027 0.000 0.251 513 I C 1.822 177.945 176.117 0.010 0.000 1.136 513 I CA 0.755 62.041 61.300 -0.023 0.000 1.425 513 I CB 0.008 38.010 38.000 0.004 0.000 1.079 513 I HN 0.077 nan 8.210 nan 0.000 0.425 514 c N 0.474 119.091 118.600 0.028 0.000 2.422 514 c HA -0.140 4.447 4.570 0.027 0.000 0.279 514 c C 2.688 176.794 174.090 0.028 0.000 1.305 514 c CA 1.586 57.954 56.329 0.064 0.000 1.757 514 c CB -1.544 41.030 42.510 0.107 0.000 1.962 514 c HN 0.667 nan 8.230 nan 0.000 0.499 515 T N -1.965 112.595 114.554 0.010 0.000 3.129 515 T HA 0.285 4.652 4.350 0.027 0.000 0.251 515 T C 0.322 175.027 174.700 0.007 0.000 1.117 515 T CA 0.364 62.469 62.100 0.008 0.000 1.034 515 T CB -0.264 68.605 68.868 0.001 0.000 0.968 515 T HN 0.371 nan 8.240 nan 0.000 0.526 516 L N 1.662 122.889 121.223 0.007 0.000 2.331 516 L HA 0.570 4.926 4.340 0.027 0.000 0.268 516 L C 0.953 177.827 176.870 0.007 0.000 1.015 516 L CA -1.261 53.583 54.840 0.008 0.000 0.807 516 L CB 1.542 43.605 42.059 0.007 0.000 1.293 516 L HN 0.220 nan 8.230 nan 0.000 0.451 517 S N -1.081 114.625 115.700 0.010 0.000 2.606 517 S HA 0.015 4.502 4.470 0.027 0.000 0.257 517 S C 0.756 175.356 174.600 -0.001 0.000 1.327 517 S CA -0.200 58.005 58.200 0.009 0.000 0.984 517 S CB 0.873 64.084 63.200 0.018 0.000 0.941 517 S HN 0.741 nan 8.310 nan 0.000 0.576 518 E N 0.570 120.766 120.200 -0.007 0.000 2.107 518 E HA -0.091 4.275 4.350 0.027 0.000 0.191 518 E C 1.891 178.479 176.600 -0.020 0.000 0.982 518 E CA 0.772 57.156 56.400 -0.027 0.000 0.809 518 E CB -0.111 29.566 29.700 -0.038 0.000 0.756 518 E HN 0.672 nan 8.360 nan 0.000 0.459 519 K N 0.636 121.040 120.400 0.006 0.000 2.002 519 K HA -0.155 4.181 4.320 0.027 0.000 0.209 519 K C 2.081 178.699 176.600 0.031 0.000 1.048 519 K CA 1.464 57.769 56.287 0.029 0.000 0.930 519 K CB -0.062 32.464 32.500 0.043 0.000 0.714 519 K HN 0.099 nan 8.250 nan 0.000 0.438 520 E N 0.158 120.373 120.200 0.025 0.000 2.171 520 E HA -0.250 4.117 4.350 0.027 0.000 0.197 520 E C 2.150 178.759 176.600 0.014 0.000 0.997 520 E CA 1.089 57.504 56.400 0.025 0.000 0.810 520 E CB -0.012 29.700 29.700 0.021 0.000 0.738 520 E HN 0.202 nan 8.360 nan 0.000 0.467 521 R N 0.662 121.160 120.500 -0.005 0.000 2.075 521 R HA -0.100 4.257 4.340 0.027 0.000 0.226 521 R C 2.251 178.537 176.300 -0.023 0.000 1.114 521 R CA 1.098 57.178 56.100 -0.033 0.000 0.972 521 R CB 0.115 30.386 30.300 -0.048 0.000 0.869 521 R HN 0.153 nan 8.270 nan 0.000 0.437 522 Q N 0.138 119.936 119.800 -0.003 0.000 2.084 522 Q HA -0.148 4.208 4.340 0.027 0.000 0.202 522 Q C 2.130 178.216 176.000 0.142 0.000 0.978 522 Q CA 1.619 57.465 55.803 0.071 0.000 0.844 522 Q CB -0.042 28.741 28.738 0.076 0.000 0.898 522 Q HN 0.388 nan 8.270 nan 0.000 0.426 523 I N 0.668 121.297 120.570 0.097 0.000 2.179 523 I HA -0.306 3.881 4.170 0.027 0.000 0.242 523 I C 2.397 178.569 176.117 0.093 0.000 1.088 523 I CA 1.117 62.472 61.300 0.092 0.000 1.357 523 I CB -0.249 37.792 38.000 0.069 0.000 1.051 523 I HN 0.100 nan 8.210 nan 0.000 0.409 524 K N 0.917 121.358 120.400 0.068 0.000 2.032 524 K HA -0.213 4.123 4.320 0.027 0.000 0.209 524 K C 2.127 178.789 176.600 0.104 0.000 1.048 524 K CA 1.488 57.820 56.287 0.074 0.000 0.927 524 K CB -0.255 32.247 32.500 0.004 0.000 0.712 524 K HN 0.323 nan 8.250 nan 0.000 0.441 525 K N 0.678 121.116 120.400 0.063 0.000 2.147 525 K HA -0.164 4.172 4.320 0.027 0.000 0.205 525 K C 2.182 178.907 176.600 0.208 0.000 1.049 525 K CA 1.272 57.644 56.287 0.141 0.000 0.936 525 K CB 0.043 32.631 32.500 0.146 0.000 0.722 525 K HN 0.272 nan 8.250 nan 0.000 0.446 526 Q N -0.677 119.227 119.800 0.173 0.000 2.250 526 Q HA -0.029 4.328 4.340 0.027 0.000 0.200 526 Q C 1.867 177.937 176.000 0.117 0.000 0.941 526 Q CA 1.079 56.958 55.803 0.127 0.000 0.872 526 Q CB 0.302 29.102 28.738 0.105 0.000 0.965 526 Q HN 0.261 nan 8.270 nan 0.000 0.480 527 T N 1.082 115.718 114.554 0.137 0.000 2.720 527 T HA -0.209 4.158 4.350 0.027 0.000 0.268 527 T C 1.922 176.732 174.700 0.183 0.000 1.037 527 T CA 1.373 63.553 62.100 0.135 0.000 1.144 527 T CB -0.280 68.669 68.868 0.136 0.000 0.864 527 T HN 0.354 nan 8.240 nan 0.000 0.444 528 A N 0.981 123.974 122.820 0.287 0.000 1.969 528 A HA 0.079 4.415 4.320 0.027 0.000 0.218 528 A C 2.228 179.963 177.584 0.252 0.000 1.169 528 A CA 0.977 53.274 52.037 0.432 0.000 0.635 528 A CB -0.656 18.775 19.000 0.718 0.000 0.810 528 A HN 0.397 nan 8.150 nan 0.000 0.445 529 L N -0.135 121.167 121.223 0.131 0.000 2.027 529 L HA -0.079 4.278 4.340 0.027 0.000 0.206 529 L C 2.357 179.239 176.870 0.021 0.000 1.074 529 L CA 1.825 56.673 54.840 0.014 0.000 0.745 529 L CB -0.587 41.467 42.059 -0.010 0.000 0.898 529 L HN 0.137 nan 8.230 nan 0.000 0.433 530 V N 0.003 119.948 119.914 0.052 0.000 2.287 530 V HA -0.256 3.881 4.120 0.027 0.000 0.248 530 V C 2.622 178.760 176.094 0.074 0.000 1.053 530 V CA 1.906 64.235 62.300 0.048 0.000 1.027 530 V CB -0.737 31.114 31.823 0.047 0.000 0.646 530 V HN 0.470 nan 8.190 nan 0.000 0.447 531 E N -0.287 119.980 120.200 0.112 0.000 2.204 531 E HA -0.142 4.225 4.350 0.027 0.000 0.195 531 E C 2.147 178.760 176.600 0.022 0.000 0.990 531 E CA 0.891 57.358 56.400 0.112 0.000 0.821 531 E CB -0.171 29.575 29.700 0.075 0.000 0.750 531 E HN 0.523 nan 8.360 nan 0.000 0.477 532 L N 0.070 121.282 121.223 -0.018 0.000 2.131 532 L HA -0.113 4.244 4.340 0.027 0.000 0.206 532 L C 2.352 179.204 176.870 -0.030 0.000 1.087 532 L CA 0.513 55.227 54.840 -0.209 0.000 0.767 532 L CB -0.033 41.831 42.059 -0.325 0.000 0.917 532 L HN -0.017 nan 8.230 nan 0.000 0.441 533 V N -0.506 119.418 119.914 0.017 0.000 2.379 533 V HA -0.223 3.914 4.120 0.027 0.000 0.245 533 V C 2.478 178.662 176.094 0.149 0.000 1.044 533 V CA 1.306 63.642 62.300 0.060 0.000 1.036 533 V CB -0.546 31.293 31.823 0.027 0.000 0.664 533 V HN 0.364 nan 8.190 nan 0.000 0.453 534 K N -0.430 120.079 120.400 0.181 0.000 2.074 534 K HA -0.230 4.107 4.320 0.027 0.000 0.209 534 K C 2.069 178.925 176.600 0.426 0.000 1.048 534 K CA 1.933 58.404 56.287 0.307 0.000 0.926 534 K CB -0.477 32.200 32.500 0.295 0.000 0.713 534 K HN 0.532 nan 8.250 nan 0.000 0.444 535 H N 0.183 119.336 119.070 0.138 0.000 2.267 535 H HA 0.008 4.580 4.556 0.027 0.000 0.302 535 H C 0.815 176.194 175.328 0.084 0.000 1.056 535 H CA 1.255 57.355 56.048 0.086 0.000 1.269 535 H CB -0.135 29.628 29.762 0.001 0.000 1.385 535 H HN -0.034 nan 8.280 nan 0.000 0.501 536 K N 1.900 122.427 120.400 0.212 0.000 2.292 536 K HA 0.104 4.440 4.320 0.027 0.000 0.270 536 K C -2.173 174.498 176.600 0.118 0.000 1.062 536 K CA -1.876 54.491 56.287 0.134 0.000 0.916 536 K CB 1.424 33.986 32.500 0.105 0.000 1.166 536 K HN 0.087 nan 8.250 nan 0.000 0.458 537 P HA 0.011 nan 4.420 nan 0.000 0.212 537 P C 0.247 177.597 177.300 0.084 0.000 1.163 537 P CA 0.907 64.093 63.100 0.143 0.000 0.892 537 P CB 0.347 32.182 31.700 0.225 0.000 0.766 538 K N 0.309 120.751 120.400 0.071 0.000 2.005 538 K HA 0.185 4.521 4.320 0.027 0.000 0.206 538 K C 1.406 178.024 176.600 0.031 0.000 1.044 538 K CA 0.811 57.125 56.287 0.045 0.000 0.942 538 K CB -0.727 31.797 32.500 0.040 0.000 0.727 538 K HN -0.026 nan 8.250 nan 0.000 0.439 539 A N 2.578 125.417 122.820 0.032 0.000 2.639 539 A HA 0.113 4.450 4.320 0.027 0.000 0.295 539 A C -0.560 177.036 177.584 0.021 0.000 1.443 539 A CA 0.308 52.359 52.037 0.024 0.000 1.117 539 A CB -0.945 18.070 19.000 0.025 0.000 1.098 539 A HN 0.347 nan 8.150 nan 0.000 0.552 540 T N 0.642 115.204 114.554 0.012 0.000 3.798 540 T HA 0.463 4.829 4.350 0.027 0.000 0.339 540 T C -0.533 174.164 174.700 -0.004 0.000 0.967 540 T CA -0.983 61.118 62.100 0.003 0.000 1.046 540 T CB 1.052 69.923 68.868 0.006 0.000 1.092 540 T HN 0.538 nan 8.240 nan 0.000 0.465 541 K N 1.668 122.062 120.400 -0.010 0.000 1.776 541 K HA 0.399 4.736 4.320 0.027 0.000 0.262 541 K C 1.534 178.126 176.600 -0.014 0.000 0.971 541 K CA -0.622 55.660 56.287 -0.009 0.000 0.943 541 K CB 0.756 33.254 32.500 -0.004 0.000 2.334 541 K HN 0.702 nan 8.250 nan 0.000 0.894 542 E N 1.516 121.710 120.200 -0.010 0.000 2.267 542 E HA -0.256 4.111 4.350 0.027 0.000 0.197 542 E C 1.627 178.217 176.600 -0.017 0.000 0.998 542 E CA 1.361 57.755 56.400 -0.011 0.000 0.830 542 E CB -0.293 29.405 29.700 -0.003 0.000 0.751 542 E HN 0.493 nan 8.360 nan 0.000 0.491 543 Q N 1.456 121.245 119.800 -0.018 0.000 2.197 543 Q HA -0.204 4.152 4.340 0.027 0.000 0.207 543 Q C 2.301 178.274 176.000 -0.045 0.000 0.984 543 Q CA 1.569 57.357 55.803 -0.024 0.000 0.869 543 Q CB -0.622 28.105 28.738 -0.019 0.000 0.906 543 Q HN 0.416 nan 8.270 nan 0.000 0.426 544 L N 0.834 122.026 121.223 -0.052 0.000 2.127 544 L HA -0.173 4.183 4.340 0.027 0.000 0.211 544 L C 2.845 179.664 176.870 -0.086 0.000 1.089 544 L CA 1.656 56.446 54.840 -0.082 0.000 0.757 544 L CB -0.495 41.521 42.059 -0.072 0.000 0.899 544 L HN 0.306 nan 8.230 nan 0.000 0.434 545 K N 0.344 120.713 120.400 -0.052 0.000 2.025 545 K HA -0.179 4.158 4.320 0.027 0.000 0.207 545 K C 2.153 178.737 176.600 -0.027 0.000 1.049 545 K CA 1.360 57.628 56.287 -0.032 0.000 0.933 545 K CB -0.088 32.406 32.500 -0.011 0.000 0.714 545 K HN 0.255 nan 8.250 nan 0.000 0.438 546 A N 0.717 123.522 122.820 -0.025 0.000 1.972 546 A HA -0.105 4.231 4.320 0.027 0.000 0.219 546 A C 2.193 179.756 177.584 -0.035 0.000 1.169 546 A CA 1.555 53.582 52.037 -0.015 0.000 0.635 546 A CB -0.491 18.503 19.000 -0.011 0.000 0.810 546 A HN 0.196 nan 8.150 nan 0.000 0.446 547 V N -0.498 119.364 119.914 -0.086 0.000 2.379 547 V HA -0.219 3.917 4.120 0.027 0.000 0.245 547 V C 2.600 178.531 176.094 -0.271 0.000 1.044 547 V CA 1.732 63.930 62.300 -0.170 0.000 1.036 547 V CB -0.565 31.120 31.823 -0.229 0.000 0.664 547 V HN 0.497 nan 8.190 nan 0.000 0.453 548 M N -0.296 119.178 119.600 -0.209 0.000 2.159 548 M HA -0.138 4.358 4.480 0.027 0.000 0.263 548 M C 1.890 178.203 176.300 0.021 0.000 1.063 548 M CA 1.546 56.752 55.300 -0.156 0.000 1.110 548 M CB -1.092 31.467 32.600 -0.067 0.000 1.374 548 M HN 0.381 nan 8.290 nan 0.000 0.411 549 D N -0.073 120.353 120.400 0.043 0.000 2.219 549 D HA -0.151 4.505 4.640 0.027 0.000 0.205 549 D C 1.494 177.886 176.300 0.154 0.000 0.970 549 D CA 1.090 55.150 54.000 0.100 0.000 0.851 549 D CB -0.256 40.586 40.800 0.070 0.000 0.943 549 D HN 0.451 nan 8.370 nan 0.000 0.488 550 D N -0.234 120.260 120.400 0.156 0.000 2.097 550 D HA -0.186 4.470 4.640 0.027 0.000 0.195 550 D C 1.740 178.322 176.300 0.470 0.000 0.989 550 D CA 0.898 55.050 54.000 0.253 0.000 0.827 550 D CB -0.069 40.863 40.800 0.220 0.000 0.966 550 D HN -0.024 nan 8.370 nan 0.000 0.456 551 F N 0.739 120.801 119.950 0.187 0.000 2.234 551 F HA 0.142 4.685 4.527 0.027 0.000 0.299 551 F C 2.411 178.401 175.800 0.316 0.000 1.087 551 F CA 0.662 58.877 58.000 0.358 0.000 1.340 551 F CB -1.189 38.042 39.000 0.386 0.000 1.031 551 F HN 0.054 nan 8.300 nan 0.000 0.500 552 A N 0.089 123.134 122.820 0.375 0.000 1.832 552 A HA 0.057 4.394 4.320 0.027 0.000 0.214 552 A C 2.462 180.139 177.584 0.155 0.000 1.204 552 A CA 1.725 53.885 52.037 0.205 0.000 0.606 552 A CB -1.317 17.773 19.000 0.150 0.000 0.849 552 A HN 0.240 nan 8.150 nan 0.000 0.445 553 A N -1.337 121.580 122.820 0.162 0.000 1.969 553 A HA -0.021 4.316 4.320 0.027 0.000 0.218 553 A C 2.010 179.661 177.584 0.112 0.000 1.169 553 A CA 1.553 53.656 52.037 0.109 0.000 0.635 553 A CB -0.739 18.323 19.000 0.104 0.000 0.810 553 A HN 0.797 nan 8.150 nan 0.000 0.445 554 F N 0.356 120.329 119.950 0.038 0.000 2.269 554 F HA -0.104 4.439 4.527 0.027 0.000 0.301 554 F C 1.927 177.654 175.800 -0.123 0.000 1.082 554 F CA 1.660 59.648 58.000 -0.020 0.000 1.360 554 F CB -0.140 38.879 39.000 0.032 0.000 1.041 554 F HN 0.025 nan 8.300 nan 0.000 0.512 555 V N 0.345 120.101 119.914 -0.264 0.000 2.302 555 V HA -0.158 3.978 4.120 0.027 0.000 0.243 555 V C 2.362 178.268 176.094 -0.314 0.000 1.036 555 V CA 1.860 63.917 62.300 -0.405 0.000 1.020 555 V CB -0.520 31.258 31.823 -0.075 0.000 0.657 555 V HN 0.195 nan 8.190 nan 0.000 0.453 556 E N 0.149 120.260 120.200 -0.148 0.000 2.338 556 E HA -0.221 4.145 4.350 0.027 0.000 0.197 556 E C 2.146 178.668 176.600 -0.130 0.000 1.007 556 E CA 0.726 57.063 56.400 -0.105 0.000 0.849 556 E CB -0.103 29.567 29.700 -0.050 0.000 0.774 556 E HN 0.536 nan 8.360 nan 0.000 0.506 557 K N 0.071 120.365 120.400 -0.177 0.000 2.211 557 K HA -0.100 4.236 4.320 0.027 0.000 0.203 557 K C 1.720 178.160 176.600 -0.267 0.000 1.050 557 K CA 1.253 57.433 56.287 -0.178 0.000 0.945 557 K CB 0.096 32.515 32.500 -0.135 0.000 0.732 557 K HN 0.110 nan 8.250 nan 0.000 0.451 558 c N -0.648 117.674 118.600 -0.462 0.000 2.700 558 c HA 0.172 4.758 4.570 0.027 0.000 0.297 558 c C 2.467 176.427 174.090 -0.217 0.000 1.293 558 c CA -0.501 55.527 56.329 -0.501 0.000 1.756 558 c CB -0.442 41.338 42.510 -1.217 0.000 2.210 558 c HN 0.603 nan 8.230 nan 0.000 0.553 559 c N 1.138 119.648 118.600 -0.150 0.000 2.481 559 c HA 0.021 4.607 4.570 0.027 0.000 0.275 559 c C 2.162 176.247 174.090 -0.009 0.000 1.419 559 c CA 1.002 57.334 56.329 0.005 0.000 1.773 559 c CB -1.121 41.404 42.510 0.025 0.000 1.862 559 c HN 0.584 nan 8.230 nan 0.000 0.530 560 K N 0.074 120.449 120.400 -0.042 0.000 2.413 560 K HA 0.255 4.591 4.320 0.027 0.000 0.204 560 K C 1.632 178.215 176.600 -0.029 0.000 1.041 560 K CA 0.298 56.568 56.287 -0.027 0.000 1.082 560 K CB 0.388 32.870 32.500 -0.029 0.000 0.871 560 K HN 0.344 nan 8.250 nan 0.000 0.535 561 A N 1.885 124.681 122.820 -0.041 0.000 1.854 561 A HA -0.120 4.217 4.320 0.027 0.000 0.214 561 A C 0.483 178.060 177.584 -0.011 0.000 1.192 561 A CA 1.238 53.255 52.037 -0.034 0.000 0.611 561 A CB -0.114 18.853 19.000 -0.055 0.000 0.832 561 A HN 0.426 nan 8.150 nan 0.000 0.442 562 D N 0.295 120.697 120.400 0.002 0.000 2.837 562 D HA -0.156 4.501 4.640 0.027 0.000 0.230 562 D C -0.230 176.079 176.300 0.014 0.000 1.152 562 D CA 1.258 55.266 54.000 0.014 0.000 0.736 562 D CB -1.383 39.423 40.800 0.011 0.000 1.084 562 D HN 0.809 nan 8.370 nan 0.000 0.429 563 D N -0.152 120.256 120.400 0.012 0.000 2.446 563 D HA 0.100 4.757 4.640 0.027 0.000 0.288 563 D C 1.065 177.381 176.300 0.027 0.000 1.195 563 D CA -0.389 53.619 54.000 0.013 0.000 1.095 563 D CB 0.470 41.271 40.800 0.003 0.000 1.153 563 D HN -0.266 nan 8.370 nan 0.000 0.568 564 K N -0.188 120.230 120.400 0.029 0.000 2.591 564 K HA -0.024 4.312 4.320 0.027 0.000 0.197 564 K C 0.286 176.921 176.600 0.058 0.000 1.026 564 K CA 0.125 56.435 56.287 0.038 0.000 1.127 564 K CB -0.788 31.732 32.500 0.033 0.000 0.871 564 K HN 0.642 nan 8.250 nan 0.000 0.507 565 E N 0.056 120.300 120.200 0.074 0.000 2.971 565 E HA -0.268 4.098 4.350 0.027 0.000 0.271 565 E C -0.207 176.480 176.600 0.145 0.000 1.053 565 E CA 1.134 57.613 56.400 0.132 0.000 0.817 565 E CB -0.828 28.948 29.700 0.127 0.000 1.410 565 E HN 0.321 nan 8.360 nan 0.000 0.445 566 T N -1.641 112.970 114.554 0.096 0.000 3.009 566 T HA -0.074 4.292 4.350 0.027 0.000 0.258 566 T C 1.984 176.749 174.700 0.108 0.000 1.063 566 T CA 0.896 63.052 62.100 0.093 0.000 1.139 566 T CB -0.302 68.603 68.868 0.061 0.000 0.890 566 T HN 0.594 nan 8.240 nan 0.000 0.471 567 c N 0.892 119.535 118.600 0.072 0.000 2.429 567 c HA -0.001 4.585 4.570 0.027 0.000 0.277 567 c C 2.205 176.405 174.090 0.183 0.000 1.262 567 c CA -0.058 56.319 56.329 0.079 0.000 1.733 567 c CB -2.045 40.432 42.510 -0.055 0.000 2.010 567 c HN 0.317 nan 8.230 nan 0.000 0.483 568 F N 2.520 122.504 119.950 0.057 0.000 2.091 568 F HA -0.078 4.465 4.527 0.027 0.000 0.299 568 F C 2.717 178.602 175.800 0.141 0.000 1.103 568 F CA 2.066 60.139 58.000 0.122 0.000 1.228 568 F CB -1.027 37.983 39.000 0.017 0.000 0.984 568 F HN 0.345 nan 8.300 nan 0.000 0.477 569 A N -0.239 122.735 122.820 0.257 0.000 1.858 569 A HA -0.110 4.227 4.320 0.027 0.000 0.215 569 A C 2.095 179.734 177.584 0.091 0.000 1.320 569 A CA 1.212 53.322 52.037 0.121 0.000 0.601 569 A CB -1.040 18.015 19.000 0.092 0.000 0.976 569 A HN 0.331 nan 8.150 nan 0.000 0.470 570 E N -0.074 120.175 120.200 0.081 0.000 2.209 570 E HA -0.141 4.226 4.350 0.027 0.000 0.196 570 E C 0.891 177.516 176.600 0.041 0.000 0.993 570 E CA 1.042 57.472 56.400 0.049 0.000 0.819 570 E CB -0.025 29.702 29.700 0.044 0.000 0.745 570 E HN 0.517 nan 8.360 nan 0.000 0.477 571 E N -0.497 119.757 120.200 0.091 0.000 2.465 571 E HA 0.060 4.426 4.350 0.027 0.000 0.195 571 E C 1.440 177.994 176.600 -0.076 0.000 1.028 571 E CA 0.011 56.450 56.400 0.065 0.000 0.899 571 E CB 0.963 30.782 29.700 0.197 0.000 1.032 571 E HN 0.242 nan 8.360 nan 0.000 0.468 572 G N 1.386 110.179 108.800 -0.011 0.000 2.492 572 G HA2 -0.194 3.783 3.960 0.027 0.000 0.214 572 G HA3 -0.194 3.783 3.960 0.027 0.000 0.214 572 G C 1.743 176.519 174.900 -0.206 0.000 1.147 572 G CA 0.333 45.337 45.100 -0.160 0.000 0.809 572 G HN 0.075 nan 8.290 nan 0.000 0.533 573 K N 1.051 121.385 120.400 -0.110 0.000 2.067 573 K HA 0.130 4.467 4.320 0.027 0.000 0.203 573 K C 2.327 178.866 176.600 -0.102 0.000 1.048 573 K CA 0.671 56.907 56.287 -0.085 0.000 0.954 573 K CB -0.168 32.305 32.500 -0.045 0.000 0.737 573 K HN -0.070 nan 8.250 nan 0.000 0.444 574 K N 0.911 121.253 120.400 -0.098 0.000 2.160 574 K HA -0.124 4.213 4.320 0.027 0.000 0.206 574 K C 2.020 178.556 176.600 -0.107 0.000 1.047 574 K CA 1.454 57.689 56.287 -0.086 0.000 0.930 574 K CB -0.406 32.058 32.500 -0.060 0.000 0.720 574 K HN 0.270 nan 8.250 nan 0.000 0.450 575 L N 0.754 121.875 121.223 -0.170 0.000 2.109 575 L HA -0.125 4.231 4.340 0.027 0.000 0.207 575 L C 2.531 179.372 176.870 -0.048 0.000 1.086 575 L CA 0.831 55.589 54.840 -0.138 0.000 0.760 575 L CB -0.984 40.903 42.059 -0.286 0.000 0.910 575 L HN -0.034 nan 8.230 nan 0.000 0.437 576 V N -2.047 117.832 119.914 -0.058 0.000 2.358 576 V HA -0.132 4.005 4.120 0.027 0.000 0.246 576 V C 2.673 178.642 176.094 -0.209 0.000 1.047 576 V CA 1.461 63.756 62.300 -0.009 0.000 1.035 576 V CB -1.129 30.744 31.823 0.083 0.000 0.658 576 V HN 0.271 nan 8.190 nan 0.000 0.452 577 A N 0.935 123.639 122.820 -0.193 0.000 1.908 577 A HA 0.004 4.341 4.320 0.027 0.000 0.218 577 A C 2.491 179.992 177.584 -0.140 0.000 1.181 577 A CA 2.635 54.551 52.037 -0.201 0.000 0.627 577 A CB -1.154 17.767 19.000 -0.132 0.000 0.818 577 A HN 1.032 nan 8.150 nan 0.000 0.445 578 A N 0.106 122.875 122.820 -0.085 0.000 1.968 578 A HA -0.013 4.324 4.320 0.027 0.000 0.217 578 A C 2.458 180.026 177.584 -0.028 0.000 1.169 578 A CA 2.023 54.032 52.037 -0.047 0.000 0.638 578 A CB -0.832 18.150 19.000 -0.030 0.000 0.812 578 A HN 0.973 nan 8.150 nan 0.000 0.446 579 S N -0.937 114.757 115.700 -0.010 0.000 2.383 579 S HA -0.207 4.280 4.470 0.027 0.000 0.227 579 S C 1.963 176.596 174.600 0.055 0.000 1.026 579 S CA 1.278 59.498 58.200 0.034 0.000 0.981 579 S CB -0.418 62.848 63.200 0.110 0.000 0.818 579 S HN 0.510 nan 8.310 nan 0.000 0.472 580 Q N 1.161 120.988 119.800 0.045 0.000 2.291 580 Q HA 0.056 4.413 4.340 0.027 0.000 0.205 580 Q C 2.246 178.271 176.000 0.042 0.000 0.970 580 Q CA 1.303 57.164 55.803 0.096 0.000 0.876 580 Q CB -0.565 28.170 28.738 -0.006 0.000 0.935 580 Q HN 0.732 nan 8.270 nan 0.000 0.455 581 A N 0.755 123.578 122.820 0.003 0.000 1.855 581 A HA 0.122 4.458 4.320 0.027 0.000 0.215 581 A C 1.442 179.030 177.584 0.007 0.000 1.191 581 A CA 1.159 53.196 52.037 0.000 0.000 0.613 581 A CB -0.791 18.202 19.000 -0.012 0.000 0.829 581 A HN 0.410 nan 8.150 nan 0.000 0.442 582 A N 0.000 122.821 122.820 0.002 0.000 2.254 582 A HA 0.000 4.336 4.320 0.027 0.000 0.244 582 A CA 0.000 52.035 52.037 -0.003 0.000 0.836 582 A CB 0.000 18.992 19.000 -0.013 0.000 0.831 582 A HN 0.000 nan 8.150 nan 0.000 0.486