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 2bxb_1_A DATA FIRST_RESID 5 DATA SEQUENCE SEVAHRFKDL GEENFKALVL IAFAQYLQQC PFEDHVKLVN EVTEFAKTcV DATA SEQUENCE ADESAENcDK SLHTLFGDKL cTVATLRETY GEMADccAKQ EPERNEcFLQ DATA SEQUENCE HKDDNPNLPR LVRPEVDVMc TAFHDNEETF LKKYLYEIAR RHPYFYAPEL DATA SEQUENCE LFFAKRYKAA FTEccQAADK AAcLLPKLDE LRDEGKASSA KQRLKcASLQ DATA SEQUENCE KFGERAFKAW AVARLSQRFP KAEFAEVSKL VTDLTKVHTE ccHGDLLEcA DATA SEQUENCE DDRADLAKYI cENQDSISSK LKEccEKPLL EKSHcIAEVE NDEMPADLPS DATA SEQUENCE LAADFVESKD VcKNYAEAKD VFLGMFLYEY ARRHPDYSVV LLLRLAKTYE DATA SEQUENCE TTLEKccAAA DPHEcYAKVF DEFKPLVEEP QNLIKQNcEL FEQLGEYKFQ DATA SEQUENCE NALLVRYTKK VPQVSTPTLV EVSRNLGKVG SKccKHPEAK RMPcAEDYLS DATA SEQUENCE VVLNQLcVLH EKTPVSDRVT KccTESLVNR RPcFSALEVD ETYVPKEFNA DATA SEQUENCE ETFTFHADIc TLSEKERQIK KQTALVELVK HKPKATKEQL KAVMDDFAAF DATA SEQUENCE VEKccKADDK ETcFAEEGKK LVAASQAA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 5 S HA 0.000 nan 4.470 nan 0.000 0.327 5 S C 0.000 174.645 174.600 0.074 0.000 1.055 5 S CA 0.000 58.224 58.200 0.039 0.000 1.107 5 S CB 0.000 63.210 63.200 0.017 0.000 0.593 6 E N 2.258 122.509 120.200 0.084 0.000 2.175 6 E HA 0.229 4.499 4.350 -0.134 0.000 0.195 6 E C 1.657 178.353 176.600 0.160 0.000 0.934 6 E CA 1.323 57.806 56.400 0.138 0.000 0.870 6 E CB -0.191 29.569 29.700 0.100 0.000 0.838 6 E HN 0.468 nan 8.360 nan 0.000 0.474 7 V N 1.389 121.367 119.914 0.107 0.000 2.568 7 V HA -0.256 3.783 4.120 -0.134 0.000 0.253 7 V C 2.281 178.456 176.094 0.135 0.000 1.072 7 V CA 1.796 64.186 62.300 0.150 0.000 1.084 7 V CB -0.963 30.852 31.823 -0.013 0.000 0.676 7 V HN 0.393 nan 8.190 nan 0.000 0.469 8 A N -0.774 122.086 122.820 0.067 0.000 1.897 8 A HA -0.214 4.025 4.320 -0.134 0.000 0.215 8 A C 2.213 179.898 177.584 0.168 0.000 1.181 8 A CA 1.615 53.673 52.037 0.035 0.000 0.620 8 A CB -0.754 18.238 19.000 -0.014 0.000 0.821 8 A HN 0.612 nan 8.150 nan 0.000 0.443 9 H N 0.709 119.823 119.070 0.074 0.000 2.251 9 H HA -0.130 4.346 4.556 -0.133 0.000 0.294 9 H C 2.153 177.560 175.328 0.131 0.000 1.078 9 H CA 2.166 58.266 56.048 0.087 0.000 1.246 9 H CB -0.153 29.652 29.762 0.072 0.000 1.358 9 H HN 0.261 nan 8.280 nan 0.000 0.488 10 R N -0.369 120.301 120.500 0.282 0.000 2.127 10 R HA -0.135 4.124 4.340 -0.134 0.000 0.238 10 R C 2.506 178.996 176.300 0.317 0.000 1.134 10 R CA 0.930 57.170 56.100 0.233 0.000 0.975 10 R CB -1.457 29.000 30.300 0.262 0.000 0.865 10 R HN 0.352 nan 8.270 nan 0.000 0.447 11 F N 2.289 122.302 119.950 0.105 0.000 2.075 11 F HA -0.215 4.233 4.527 -0.133 0.000 0.297 11 F C 2.716 178.502 175.800 -0.023 0.000 1.113 11 F CA 2.445 60.361 58.000 -0.140 0.000 1.218 11 F CB -0.510 38.225 39.000 -0.443 0.000 0.984 11 F HN 0.076 nan 8.300 nan 0.000 0.472 12 K N 0.138 120.754 120.400 0.359 0.000 2.103 12 K HA -0.180 4.060 4.320 -0.134 0.000 0.207 12 K C 1.792 178.485 176.600 0.157 0.000 1.048 12 K CA 2.068 58.505 56.287 0.250 0.000 0.930 12 K CB -1.393 31.213 32.500 0.178 0.000 0.716 12 K HN 0.503 nan 8.250 nan 0.000 0.444 13 D N 0.221 120.723 120.400 0.170 0.000 2.103 13 D HA -0.018 4.541 4.640 -0.134 0.000 0.199 13 D C 2.031 178.375 176.300 0.073 0.000 0.978 13 D CA 1.358 55.434 54.000 0.126 0.000 0.829 13 D CB 0.090 40.976 40.800 0.143 0.000 0.981 13 D HN 0.423 nan 8.370 nan 0.000 0.464 14 L N 0.038 121.297 121.223 0.061 0.000 2.249 14 L HA 0.185 4.444 4.340 -0.134 0.000 0.207 14 L C 1.402 178.248 176.870 -0.040 0.000 1.090 14 L CA 0.477 55.333 54.840 0.028 0.000 0.802 14 L CB -0.357 41.745 42.059 0.072 0.000 0.947 14 L HN 0.093 nan 8.230 nan 0.000 0.453 15 G N 0.419 109.125 108.800 -0.157 0.000 2.710 15 G HA2 -0.279 3.600 3.960 -0.134 0.000 0.668 15 G HA3 -0.279 3.600 3.960 -0.134 0.000 0.668 15 G C 0.204 174.799 174.900 -0.507 0.000 1.320 15 G CA 0.107 45.047 45.100 -0.267 0.000 0.860 15 G HN 0.216 nan 8.290 nan 0.000 0.538 16 E N -0.457 119.480 120.200 -0.439 0.000 2.028 16 E HA -0.090 4.180 4.350 -0.134 0.000 0.191 16 E C 2.095 178.643 176.600 -0.087 0.000 0.988 16 E CA 1.757 57.952 56.400 -0.341 0.000 0.799 16 E CB -0.168 29.486 29.700 -0.077 0.000 0.755 16 E HN 0.625 nan 8.360 nan 0.000 0.447 17 E N -0.031 120.147 120.200 -0.036 0.000 2.013 17 E HA -0.275 3.995 4.350 -0.134 0.000 0.202 17 E C 1.933 178.549 176.600 0.028 0.000 1.018 17 E CA 1.726 58.136 56.400 0.016 0.000 0.834 17 E CB -0.124 29.590 29.700 0.024 0.000 0.770 17 E HN 0.247 nan 8.360 nan 0.000 0.459 18 N N 0.101 118.811 118.700 0.016 0.000 2.104 18 N HA -0.182 4.477 4.740 -0.134 0.000 0.190 18 N C 1.672 177.197 175.510 0.024 0.000 1.024 18 N CA 1.095 54.156 53.050 0.019 0.000 0.853 18 N CB -0.684 37.812 38.487 0.015 0.000 1.008 18 N HN 0.221 nan 8.380 nan 0.000 0.424 19 F N 1.957 121.828 119.950 -0.133 0.000 2.161 19 F HA -0.149 4.299 4.527 -0.131 0.000 0.300 19 F C 2.045 177.821 175.800 -0.039 0.000 1.089 19 F CA 1.483 59.412 58.000 -0.118 0.000 1.282 19 F CB 0.027 38.848 39.000 -0.298 0.000 1.010 19 F HN -0.067 nan 8.300 nan 0.000 0.485 20 K N -0.062 120.432 120.400 0.158 0.000 2.103 20 K HA -0.049 4.190 4.320 -0.134 0.000 0.204 20 K C 2.338 178.937 176.600 -0.001 0.000 1.052 20 K CA 0.901 57.246 56.287 0.096 0.000 0.945 20 K CB -0.445 32.129 32.500 0.123 0.000 0.722 20 K HN 0.342 nan 8.250 nan 0.000 0.443 21 A N 1.729 124.551 122.820 0.003 0.000 1.845 21 A HA -0.173 4.066 4.320 -0.134 0.000 0.215 21 A C 2.132 179.688 177.584 -0.047 0.000 1.195 21 A CA 1.360 53.394 52.037 -0.006 0.000 0.616 21 A CB -0.879 18.124 19.000 0.006 0.000 0.832 21 A HN 0.161 nan 8.150 nan 0.000 0.443 22 L N -0.389 120.784 121.223 -0.083 0.000 2.013 22 L HA -0.228 4.031 4.340 -0.134 0.000 0.212 22 L C 2.537 179.352 176.870 -0.091 0.000 1.073 22 L CA 1.501 56.273 54.840 -0.113 0.000 0.753 22 L CB -0.781 41.191 42.059 -0.146 0.000 0.890 22 L HN 0.268 nan 8.230 nan 0.000 0.432 23 V N -0.202 119.653 119.914 -0.097 0.000 2.407 23 V HA -0.276 3.763 4.120 -0.134 0.000 0.248 23 V C 2.366 178.595 176.094 0.225 0.000 1.055 23 V CA 1.630 64.006 62.300 0.126 0.000 1.049 23 V CB -0.443 31.407 31.823 0.044 0.000 0.662 23 V HN 0.339 nan 8.190 nan 0.000 0.455 24 L N 0.265 121.522 121.223 0.057 0.000 1.994 24 L HA -0.151 4.109 4.340 -0.134 0.000 0.208 24 L C 2.203 179.096 176.870 0.039 0.000 1.071 24 L CA 1.967 56.834 54.840 0.045 0.000 0.745 24 L CB -0.584 41.490 42.059 0.025 0.000 0.892 24 L HN 0.231 nan 8.230 nan 0.000 0.431 25 I N -0.188 120.367 120.570 -0.026 0.000 2.208 25 I HA -0.330 3.759 4.170 -0.134 0.000 0.245 25 I C 2.628 178.669 176.117 -0.128 0.000 1.097 25 I CA 1.275 62.512 61.300 -0.105 0.000 1.363 25 I CB -0.786 37.131 38.000 -0.139 0.000 1.051 25 I HN 0.413 nan 8.210 nan 0.000 0.413 26 A N 0.778 123.543 122.820 -0.092 0.000 1.877 26 A HA -0.214 4.025 4.320 -0.134 0.000 0.216 26 A C 2.112 179.590 177.584 -0.177 0.000 1.186 26 A CA 1.633 53.541 52.037 -0.215 0.000 0.620 26 A CB -0.997 17.882 19.000 -0.202 0.000 0.822 26 A HN 0.321 nan 8.150 nan 0.000 0.443 27 F N 0.084 119.998 119.950 -0.060 0.000 2.146 27 F HA -0.052 4.394 4.527 -0.135 0.000 0.298 27 F C 2.793 178.503 175.800 -0.151 0.000 1.096 27 F CA 1.014 59.035 58.000 0.035 0.000 1.275 27 F CB -0.487 38.600 39.000 0.146 0.000 1.008 27 F HN 0.255 nan 8.300 nan 0.000 0.480 28 A N -0.490 122.227 122.820 -0.171 0.000 1.933 28 A HA -0.221 4.019 4.320 -0.134 0.000 0.218 28 A C 2.101 179.578 177.584 -0.178 0.000 1.175 28 A CA 1.602 53.453 52.037 -0.310 0.000 0.628 28 A CB -0.679 18.184 19.000 -0.229 0.000 0.814 28 A HN 0.474 nan 8.150 nan 0.000 0.444 29 Q N -2.118 117.555 119.800 -0.213 0.000 2.230 29 Q HA -0.109 4.151 4.340 -0.134 0.000 0.202 29 Q C 1.691 177.564 176.000 -0.211 0.000 0.963 29 Q CA 1.127 56.773 55.803 -0.262 0.000 0.866 29 Q CB -0.156 28.346 28.738 -0.392 0.000 0.931 29 Q HN 0.802 nan 8.270 nan 0.000 0.452 30 Y N 0.287 120.492 120.300 -0.158 0.000 2.201 30 Y HA 0.048 4.520 4.550 -0.129 0.000 0.292 30 Y C 1.039 176.902 175.900 -0.062 0.000 1.119 30 Y CA 0.520 58.515 58.100 -0.175 0.000 1.127 30 Y CB 0.339 38.573 38.460 -0.378 0.000 1.019 30 Y HN -0.052 nan 8.280 nan 0.000 0.514 31 L N 1.396 122.744 121.223 0.208 0.000 2.426 31 L HA 0.236 4.496 4.340 -0.134 0.000 0.255 31 L C 0.729 177.753 176.870 0.257 0.000 1.080 31 L CA -0.095 54.881 54.840 0.226 0.000 0.960 31 L CB 0.857 43.075 42.059 0.265 0.000 1.326 31 L HN 0.158 nan 8.230 nan 0.000 0.441 32 Q N -0.450 119.429 119.800 0.131 0.000 2.364 32 Q HA -0.137 4.123 4.340 -0.134 0.000 0.207 32 Q C 1.709 177.763 176.000 0.089 0.000 0.970 32 Q CA 1.071 56.910 55.803 0.059 0.000 0.888 32 Q CB 0.225 28.961 28.738 -0.003 0.000 0.951 32 Q HN 0.577 nan 8.270 nan 0.000 0.469 33 Q N -1.041 118.834 119.800 0.125 0.000 2.408 33 Q HA 0.082 4.342 4.340 -0.134 0.000 0.205 33 Q C 0.690 176.787 176.000 0.162 0.000 0.919 33 Q CA -0.043 55.829 55.803 0.115 0.000 0.932 33 Q CB 0.205 28.991 28.738 0.080 0.000 1.058 33 Q HN 0.486 nan 8.270 nan 0.000 0.517 34 C N 2.676 122.107 119.300 0.218 0.000 2.637 34 C HA 0.348 4.728 4.460 -0.134 0.000 0.418 34 C C -2.197 172.958 174.990 0.274 0.000 1.319 34 C CA -1.964 57.139 59.018 0.141 0.000 1.949 34 C CB 0.175 27.879 27.740 -0.060 0.000 2.639 34 C HN 0.316 nan 8.230 nan 0.000 0.594 35 P HA 0.052 nan 4.420 nan 0.000 0.269 35 P C 0.514 177.842 177.300 0.046 0.000 1.215 35 P CA 0.025 63.223 63.100 0.163 0.000 0.780 35 P CB 0.229 31.964 31.700 0.058 0.000 0.898 36 F N 3.522 123.243 119.950 -0.383 0.000 2.065 36 F HA -0.281 4.165 4.527 -0.135 0.000 0.298 36 F C 1.913 177.523 175.800 -0.317 0.000 1.112 36 F CA 1.919 59.442 58.000 -0.794 0.000 1.212 36 F CB -0.574 37.942 39.000 -0.806 0.000 0.975 36 F HN 0.324 nan 8.300 nan 0.000 0.476 37 E N 0.509 120.506 120.200 -0.338 0.000 2.048 37 E HA -0.274 3.995 4.350 -0.134 0.000 0.202 37 E C 1.835 178.236 176.600 -0.331 0.000 1.021 37 E CA 1.874 58.053 56.400 -0.369 0.000 0.825 37 E CB -1.293 28.316 29.700 -0.153 0.000 0.756 37 E HN 0.458 nan 8.360 nan 0.000 0.454 38 D N 0.567 120.826 120.400 -0.236 0.000 2.123 38 D HA -0.164 4.395 4.640 -0.134 0.000 0.196 38 D C 1.994 178.146 176.300 -0.247 0.000 0.992 38 D CA 1.196 55.064 54.000 -0.221 0.000 0.833 38 D CB -0.612 40.062 40.800 -0.210 0.000 0.954 38 D HN 0.333 nan 8.370 nan 0.000 0.455 39 H N 0.312 119.268 119.070 -0.189 0.000 2.321 39 H HA -0.046 4.431 4.556 -0.132 0.000 0.300 39 H C 2.458 177.591 175.328 -0.324 0.000 1.087 39 H CA 0.760 56.699 56.048 -0.181 0.000 1.319 39 H CB -0.495 29.233 29.762 -0.057 0.000 1.379 39 H HN 0.010 nan 8.280 nan 0.000 0.501 40 V N 1.382 121.101 119.914 -0.324 0.000 2.252 40 V HA -0.338 3.702 4.120 -0.134 0.000 0.249 40 V C 2.940 178.880 176.094 -0.257 0.000 1.056 40 V CA 3.034 65.112 62.300 -0.371 0.000 1.022 40 V CB -0.948 30.523 31.823 -0.587 0.000 0.641 40 V HN 0.606 nan 8.190 nan 0.000 0.445 41 K N -0.068 120.189 120.400 -0.238 0.000 2.001 41 K HA -0.227 4.013 4.320 -0.134 0.000 0.214 41 K C 2.022 178.523 176.600 -0.166 0.000 1.050 41 K CA 2.351 58.537 56.287 -0.170 0.000 0.934 41 K CB -1.234 31.179 32.500 -0.144 0.000 0.718 41 K HN 0.546 nan 8.250 nan 0.000 0.443 42 L N 0.538 121.639 121.223 -0.203 0.000 2.012 42 L HA -0.191 4.069 4.340 -0.134 0.000 0.210 42 L C 2.682 179.340 176.870 -0.353 0.000 1.073 42 L CA 1.369 56.061 54.840 -0.248 0.000 0.748 42 L CB -0.922 40.964 42.059 -0.289 0.000 0.891 42 L HN 0.236 nan 8.230 nan 0.000 0.431 43 V N 0.436 120.088 119.914 -0.436 0.000 2.282 43 V HA -0.313 3.726 4.120 -0.134 0.000 0.249 43 V C 2.356 178.364 176.094 -0.144 0.000 1.057 43 V CA 2.059 64.144 62.300 -0.358 0.000 1.032 43 V CB -0.706 30.965 31.823 -0.253 0.000 0.645 43 V HN 0.508 nan 8.190 nan 0.000 0.447 44 N N -0.019 118.615 118.700 -0.109 0.000 2.080 44 N HA -0.154 4.506 4.740 -0.134 0.000 0.189 44 N C 1.847 177.353 175.510 -0.007 0.000 1.036 44 N CA 1.509 54.539 53.050 -0.034 0.000 0.846 44 N CB -0.354 38.105 38.487 -0.046 0.000 1.015 44 N HN 0.594 nan 8.380 nan 0.000 0.423 45 E N 0.509 120.687 120.200 -0.036 0.000 2.097 45 E HA -0.137 4.132 4.350 -0.134 0.000 0.196 45 E C 1.933 178.569 176.600 0.060 0.000 1.000 45 E CA 1.016 57.417 56.400 0.001 0.000 0.804 45 E CB -0.008 29.681 29.700 -0.018 0.000 0.740 45 E HN 0.092 nan 8.360 nan 0.000 0.454 46 V N 0.988 120.914 119.914 0.019 0.000 2.515 46 V HA -0.202 3.838 4.120 -0.134 0.000 0.250 46 V C 2.208 178.389 176.094 0.145 0.000 1.058 46 V CA 2.014 64.345 62.300 0.050 0.000 1.064 46 V CB -0.526 31.241 31.823 -0.094 0.000 0.675 46 V HN 0.338 nan 8.190 nan 0.000 0.461 47 T N -0.890 113.763 114.554 0.167 0.000 2.812 47 T HA -0.112 4.157 4.350 -0.134 0.000 0.264 47 T C 1.862 176.655 174.700 0.155 0.000 1.042 47 T CA 0.996 63.251 62.100 0.258 0.000 1.140 47 T CB -0.175 68.846 68.868 0.255 0.000 0.870 47 T HN 0.398 nan 8.240 nan 0.000 0.445 48 E N 1.132 121.402 120.200 0.117 0.000 2.033 48 E HA -0.126 4.143 4.350 -0.134 0.000 0.199 48 E C 1.821 178.496 176.600 0.126 0.000 1.011 48 E CA 1.056 57.505 56.400 0.082 0.000 0.815 48 E CB -0.693 29.039 29.700 0.054 0.000 0.755 48 E HN 0.580 nan 8.360 nan 0.000 0.451 49 F N 1.333 121.265 119.950 -0.030 0.000 2.063 49 F HA -0.343 4.104 4.527 -0.133 0.000 0.298 49 F C 2.344 178.101 175.800 -0.071 0.000 1.109 49 F CA 1.321 59.297 58.000 -0.040 0.000 1.212 49 F CB -0.039 38.948 39.000 -0.021 0.000 0.973 49 F HN 0.052 nan 8.300 nan 0.000 0.480 50 A N 0.655 123.505 122.820 0.050 0.000 1.892 50 A HA -0.333 3.907 4.320 -0.134 0.000 0.218 50 A C 2.238 179.629 177.584 -0.321 0.000 1.188 50 A CA 3.107 55.028 52.037 -0.193 0.000 0.631 50 A CB -1.584 17.299 19.000 -0.195 0.000 0.822 50 A HN 0.492 nan 8.150 nan 0.000 0.447 51 K N -0.633 119.585 120.400 -0.303 0.000 2.113 51 K HA -0.206 4.033 4.320 -0.134 0.000 0.208 51 K C 2.242 178.711 176.600 -0.217 0.000 1.047 51 K CA 2.705 58.768 56.287 -0.373 0.000 0.928 51 K CB -2.044 nan 32.500 nan 0.000 0.716 51 K HN 0.968 nan 8.250 nan 0.000 0.446 52 T N -2.029 112.486 114.554 -0.065 0.000 2.812 52 T HA -0.153 4.116 4.350 -0.134 0.000 0.264 52 T C 2.266 176.959 174.700 -0.013 0.000 1.042 52 T CA 1.450 63.540 62.100 -0.016 0.000 1.140 52 T CB -1.012 67.883 68.868 0.045 0.000 0.870 52 T HN 0.503 nan 8.240 nan 0.000 0.445 53 c N 1.292 119.900 118.600 0.013 0.000 2.413 53 c HA 0.018 4.507 4.570 -0.134 0.000 0.277 53 c C 2.913 176.955 174.090 -0.081 0.000 1.265 53 c CA 0.411 56.734 56.329 -0.009 0.000 1.752 53 c CB -1.382 41.094 42.510 -0.056 0.000 1.998 53 c HN 0.486 nan 8.230 nan 0.000 0.489 54 V N 1.491 121.299 119.914 -0.176 0.000 2.255 54 V HA -0.252 3.787 4.120 -0.134 0.000 0.247 54 V C 2.673 178.700 176.094 -0.111 0.000 1.051 54 V CA 2.409 64.596 62.300 -0.189 0.000 1.018 54 V CB -1.371 30.252 31.823 -0.332 0.000 0.641 54 V HN 0.622 nan 8.190 nan 0.000 0.445 55 A N 0.033 122.793 122.820 -0.101 0.000 1.825 55 A HA -0.031 4.209 4.320 -0.134 0.000 0.214 55 A C 1.481 179.042 177.584 -0.039 0.000 1.206 55 A CA 1.541 53.541 52.037 -0.063 0.000 0.609 55 A CB -1.090 17.875 19.000 -0.057 0.000 0.851 55 A HN 0.602 nan 8.150 nan 0.000 0.445 56 D N -0.175 120.209 120.400 -0.027 0.000 2.359 56 D HA 0.492 5.051 4.640 -0.134 0.000 0.230 56 D C 0.025 176.327 176.300 0.004 0.000 1.118 56 D CA -0.008 53.987 54.000 -0.009 0.000 0.844 56 D CB 0.370 41.169 40.800 -0.002 0.000 1.059 56 D HN 0.510 nan 8.370 nan 0.000 0.493 57 E N 0.988 121.188 120.200 0.001 0.000 2.330 57 E HA 0.194 4.464 4.350 -0.134 0.000 0.210 57 E C 0.496 177.112 176.600 0.026 0.000 1.256 57 E CA 0.141 56.546 56.400 0.008 0.000 1.346 57 E CB 0.017 29.715 29.700 -0.003 0.000 1.308 57 E HN 0.422 nan 8.360 nan 0.000 0.441 58 S N -1.737 113.987 115.700 0.039 0.000 2.671 58 S HA 0.218 4.607 4.470 -0.134 0.000 0.231 58 S C 0.872 175.504 174.600 0.054 0.000 0.882 58 S CA 0.284 58.512 58.200 0.047 0.000 1.476 58 S CB -0.118 63.100 63.200 0.030 0.000 1.257 58 S HN 0.361 nan 8.310 nan 0.000 0.633 59 A N 1.864 124.720 122.820 0.060 0.000 2.766 59 A HA 0.014 4.253 4.320 -0.134 0.000 0.199 59 A C 1.912 179.518 177.584 0.036 0.000 1.073 59 A CA 2.661 54.723 52.037 0.042 0.000 1.016 59 A CB -1.663 17.366 19.000 0.048 0.000 0.765 59 A HN 0.956 nan 8.150 nan 0.000 0.562 60 E N -1.260 118.963 120.200 0.038 0.000 2.013 60 E HA -0.006 4.264 4.350 -0.134 0.000 0.194 60 E C 1.219 177.880 176.600 0.102 0.000 0.973 60 E CA 1.479 57.871 56.400 -0.013 0.000 0.842 60 E CB -0.565 28.973 29.700 -0.270 0.000 0.801 60 E HN 0.707 nan 8.360 nan 0.000 0.476 61 N N -1.570 117.303 118.700 0.288 0.000 2.305 61 N HA 0.170 4.830 4.740 -0.134 0.000 0.248 61 N C 0.659 176.340 175.510 0.286 0.000 1.290 61 N CA 0.046 53.262 53.050 0.276 0.000 0.873 61 N CB 0.301 38.956 38.487 0.281 0.000 1.261 61 N HN 0.410 nan 8.380 nan 0.000 0.504 62 c N 1.307 120.091 118.600 0.306 0.000 2.393 62 c HA -0.140 4.349 4.570 -0.134 0.000 0.292 62 c C 2.026 176.152 174.090 0.060 0.000 1.347 62 c CA 1.182 57.586 56.329 0.125 0.000 1.810 62 c CB -0.814 41.779 42.510 0.138 0.000 1.899 62 c HN 0.598 nan 8.230 nan 0.000 0.532 63 D N 0.356 120.807 120.400 0.084 0.000 2.347 63 D HA -0.047 4.513 4.640 -0.134 0.000 0.215 63 D C 0.718 177.057 176.300 0.065 0.000 0.976 63 D CA 0.483 54.522 54.000 0.065 0.000 0.884 63 D CB -0.090 40.748 40.800 0.064 0.000 0.915 63 D HN 0.486 nan 8.370 nan 0.000 0.526 64 K N 1.010 121.454 120.400 0.074 0.000 2.149 64 K HA 0.202 4.442 4.320 -0.134 0.000 0.245 64 K C 0.593 177.237 176.600 0.073 0.000 1.024 64 K CA -0.351 55.984 56.287 0.080 0.000 0.899 64 K CB 0.832 33.392 32.500 0.100 0.000 1.038 64 K HN 0.062 nan 8.250 nan 0.000 0.496 65 S N 0.739 116.495 115.700 0.093 0.000 2.586 65 S HA 0.122 4.511 4.470 -0.134 0.000 0.274 65 S C 1.233 175.909 174.600 0.128 0.000 1.281 65 S CA -0.806 57.447 58.200 0.088 0.000 1.035 65 S CB 0.647 63.906 63.200 0.098 0.000 0.962 65 S HN 0.384 nan 8.310 nan 0.000 0.512 66 L N 1.573 122.868 121.223 0.119 0.000 2.129 66 L HA -0.129 4.131 4.340 -0.134 0.000 0.212 66 L C 2.500 179.622 176.870 0.420 0.000 1.087 66 L CA 1.799 56.838 54.840 0.332 0.000 0.757 66 L CB -2.427 39.789 42.059 0.261 0.000 0.896 66 L HN 0.791 nan 8.230 nan 0.000 0.434 67 H N 0.027 119.227 119.070 0.217 0.000 2.319 67 H HA -0.119 4.355 4.556 -0.136 0.000 0.297 67 H C 2.233 177.669 175.328 0.180 0.000 1.097 67 H CA 2.013 58.162 56.048 0.168 0.000 1.285 67 H CB -0.617 29.219 29.762 0.124 0.000 1.368 67 H HN 0.322 nan 8.280 nan 0.000 0.495 68 T N 1.685 116.413 114.554 0.289 0.000 2.737 68 T HA -0.054 4.215 4.350 -0.134 0.000 0.265 68 T C 2.519 177.334 174.700 0.192 0.000 1.038 68 T CA 0.978 63.200 62.100 0.203 0.000 1.144 68 T CB -0.415 68.547 68.868 0.158 0.000 0.866 68 T HN 0.127 nan 8.240 nan 0.000 0.434 69 L N -0.236 121.100 121.223 0.188 0.000 1.955 69 L HA -0.066 4.194 4.340 -0.134 0.000 0.213 69 L C 2.411 179.351 176.870 0.117 0.000 1.072 69 L CA 1.639 56.550 54.840 0.117 0.000 0.755 69 L CB -0.888 41.166 42.059 -0.008 0.000 0.888 69 L HN 0.151 nan 8.230 nan 0.000 0.432 70 F N 0.527 120.541 119.950 0.107 0.000 2.091 70 F HA -0.205 4.244 4.527 -0.131 0.000 0.299 70 F C 2.565 178.329 175.800 -0.059 0.000 1.103 70 F CA 1.645 59.669 58.000 0.040 0.000 1.228 70 F CB -1.302 37.662 39.000 -0.060 0.000 0.984 70 F HN 0.079 nan 8.300 nan 0.000 0.477 71 G N -0.505 108.402 108.800 0.178 0.000 2.514 71 G HA2 -0.297 3.583 3.960 -0.134 0.000 0.217 71 G HA3 -0.297 3.583 3.960 -0.134 0.000 0.217 71 G C 1.517 176.491 174.900 0.122 0.000 1.198 71 G CA 1.309 46.476 45.100 0.111 0.000 0.780 71 G HN 0.246 nan 8.290 nan 0.000 0.565 72 D N 0.130 120.612 120.400 0.136 0.000 2.123 72 D HA -0.090 4.470 4.640 -0.134 0.000 0.196 72 D C 2.813 179.186 176.300 0.121 0.000 0.992 72 D CA 1.176 55.248 54.000 0.120 0.000 0.833 72 D CB -0.041 40.827 40.800 0.114 0.000 0.954 72 D HN 0.188 nan 8.370 nan 0.000 0.455 73 K N 0.390 120.879 120.400 0.149 0.000 2.001 73 K HA -0.137 4.103 4.320 -0.134 0.000 0.214 73 K C 2.529 179.253 176.600 0.207 0.000 1.050 73 K CA 0.702 57.106 56.287 0.194 0.000 0.934 73 K CB -1.067 31.622 32.500 0.314 0.000 0.718 73 K HN 0.300 nan 8.250 nan 0.000 0.443 74 L N 0.174 121.512 121.223 0.191 0.000 2.042 74 L HA -0.191 4.068 4.340 -0.134 0.000 0.210 74 L C 2.557 179.476 176.870 0.082 0.000 1.076 74 L CA 1.265 56.171 54.840 0.110 0.000 0.749 74 L CB -0.630 41.319 42.059 -0.182 0.000 0.893 74 L HN 0.344 nan 8.230 nan 0.000 0.432 75 c N -0.127 118.532 118.600 0.098 0.000 2.479 75 c HA -0.079 4.410 4.570 -0.134 0.000 0.292 75 c C 2.517 176.650 174.090 0.073 0.000 1.497 75 c CA 1.229 57.623 56.329 0.108 0.000 1.714 75 c CB -1.899 40.686 42.510 0.125 0.000 1.610 75 c HN 0.637 nan 8.230 nan 0.000 0.589 76 T N -3.920 110.675 114.554 0.068 0.000 3.107 76 T HA 0.160 4.430 4.350 -0.134 0.000 0.249 76 T C 0.890 175.607 174.700 0.029 0.000 1.096 76 T CA 0.669 62.796 62.100 0.045 0.000 1.012 76 T CB 0.030 68.924 68.868 0.043 0.000 0.977 76 T HN 0.310 nan 8.240 nan 0.000 0.527 77 V N -0.736 119.198 119.914 0.034 0.000 3.309 77 V HA 0.499 4.539 4.120 -0.134 0.000 0.268 77 V C 2.521 178.629 176.094 0.024 0.000 1.631 77 V CA 0.142 62.451 62.300 0.016 0.000 1.018 77 V CB -0.200 31.620 31.823 -0.005 0.000 0.841 77 V HN 0.440 nan 8.190 nan 0.000 0.418 78 A N 0.964 123.811 122.820 0.045 0.000 1.970 78 A HA -0.082 4.157 4.320 -0.134 0.000 0.216 78 A C 2.110 179.714 177.584 0.034 0.000 1.170 78 A CA 2.059 54.129 52.037 0.056 0.000 0.645 78 A CB -0.713 18.355 19.000 0.114 0.000 0.816 78 A HN 0.500 nan 8.150 nan 0.000 0.447 79 T N 0.589 115.160 114.554 0.029 0.000 3.052 79 T HA -0.005 4.265 4.350 -0.134 0.000 0.270 79 T C 0.688 175.391 174.700 0.006 0.000 1.147 79 T CA 0.510 62.618 62.100 0.013 0.000 1.089 79 T CB -0.593 68.283 68.868 0.013 0.000 0.875 79 T HN 0.340 nan 8.240 nan 0.000 0.541 80 L N 1.625 122.853 121.223 0.008 0.000 2.391 80 L HA 0.352 4.612 4.340 -0.134 0.000 0.249 80 L C 2.255 179.127 176.870 0.003 0.000 1.308 80 L CA -0.666 54.177 54.840 0.005 0.000 1.209 80 L CB -0.487 41.575 42.059 0.005 0.000 1.401 80 L HN 0.166 nan 8.230 nan 0.000 0.416 81 R N 1.201 121.700 120.500 -0.002 0.000 2.127 81 R HA -0.182 4.077 4.340 -0.134 0.000 0.238 81 R C 2.132 178.432 176.300 -0.001 0.000 1.134 81 R CA 1.785 57.882 56.100 -0.006 0.000 0.975 81 R CB -1.449 28.845 30.300 -0.011 0.000 0.865 81 R HN 0.685 nan 8.270 nan 0.000 0.447 82 E N 0.153 120.354 120.200 0.001 0.000 2.331 82 E HA -0.138 4.132 4.350 -0.134 0.000 0.199 82 E C 2.032 178.637 176.600 0.008 0.000 1.008 82 E CA 1.794 58.196 56.400 0.004 0.000 0.843 82 E CB -0.757 28.945 29.700 0.004 0.000 0.761 82 E HN 0.747 nan 8.360 nan 0.000 0.507 83 T N -2.746 111.813 114.554 0.009 0.000 3.087 83 T HA 0.360 4.629 4.350 -0.134 0.000 0.237 83 T C 1.077 175.788 174.700 0.018 0.000 0.990 83 T CA 0.910 63.019 62.100 0.015 0.000 1.160 83 T CB 0.290 69.167 68.868 0.015 0.000 0.923 83 T HN 0.724 nan 8.240 nan 0.000 0.442 84 Y N 1.711 122.019 120.300 0.014 0.000 2.747 84 Y HA 0.733 5.202 4.550 -0.134 0.000 0.362 84 Y C 1.416 177.311 175.900 -0.009 0.000 1.026 84 Y CA -1.219 56.887 58.100 0.011 0.000 1.135 84 Y CB -0.445 38.029 38.460 0.023 0.000 1.175 84 Y HN 0.312 nan 8.280 nan 0.000 0.643 85 G N 0.412 109.207 108.800 -0.009 0.000 2.721 85 G HA2 -0.335 3.544 3.960 -0.134 0.000 0.218 85 G HA3 -0.335 3.544 3.960 -0.134 0.000 0.218 85 G C 1.355 176.228 174.900 -0.045 0.000 1.265 85 G CA 1.580 46.669 45.100 -0.018 0.000 0.796 85 G HN 0.626 nan 8.290 nan 0.000 0.620 86 E N -0.252 119.912 120.200 -0.060 0.000 2.463 86 E HA -0.033 4.236 4.350 -0.134 0.000 0.201 86 E C 2.485 178.930 176.600 -0.259 0.000 1.045 86 E CA 0.505 56.833 56.400 -0.120 0.000 0.872 86 E CB -0.146 29.510 29.700 -0.073 0.000 0.797 86 E HN 0.336 nan 8.360 nan 0.000 0.538 87 M N -0.576 118.909 119.600 -0.192 0.000 2.123 87 M HA 0.039 4.439 4.480 -0.134 0.000 0.263 87 M C 2.273 178.495 176.300 -0.129 0.000 1.069 87 M CA 1.332 56.526 55.300 -0.177 0.000 1.133 87 M CB -1.323 31.259 32.600 -0.029 0.000 1.356 87 M HN 0.243 nan 8.290 nan 0.000 0.415 88 A N 1.165 123.941 122.820 -0.074 0.000 1.940 88 A HA -0.257 3.983 4.320 -0.134 0.000 0.221 88 A C 1.766 179.298 177.584 -0.086 0.000 1.190 88 A CA 2.378 54.382 52.037 -0.054 0.000 0.647 88 A CB -1.008 17.971 19.000 -0.037 0.000 0.821 88 A HN 0.503 nan 8.150 nan 0.000 0.457 89 D N -0.408 119.925 120.400 -0.111 0.000 2.104 89 D HA -0.156 4.404 4.640 -0.134 0.000 0.194 89 D C 2.031 178.231 176.300 -0.166 0.000 0.994 89 D CA 1.530 55.462 54.000 -0.113 0.000 0.830 89 D CB -0.982 39.760 40.800 -0.096 0.000 0.959 89 D HN 0.496 nan 8.370 nan 0.000 0.452 90 c N 0.667 119.107 118.600 -0.267 0.000 2.401 90 c HA -0.180 4.309 4.570 -0.134 0.000 0.276 90 c C 3.088 176.943 174.090 -0.391 0.000 1.233 90 c CA 0.377 56.434 56.329 -0.454 0.000 1.753 90 c CB -1.026 40.977 42.510 -0.845 0.000 2.029 90 c HN 0.458 nan 8.230 nan 0.000 0.478 91 c N 0.680 119.146 118.600 -0.222 0.000 2.432 91 c HA 0.030 4.520 4.570 -0.134 0.000 0.280 91 c C 2.873 176.923 174.090 -0.066 0.000 1.353 91 c CA 0.933 57.212 56.329 -0.083 0.000 1.766 91 c CB -1.558 40.958 42.510 0.009 0.000 1.924 91 c HN 0.711 nan 8.230 nan 0.000 0.509 92 A N 0.052 122.825 122.820 -0.079 0.000 2.239 92 A HA 0.016 4.256 4.320 -0.134 0.000 0.209 92 A C 1.090 178.638 177.584 -0.060 0.000 1.171 92 A CA 0.768 52.773 52.037 -0.054 0.000 0.768 92 A CB -0.213 18.757 19.000 -0.050 0.000 0.790 92 A HN 0.660 nan 8.150 nan 0.000 0.478 93 K N -1.232 119.113 120.400 -0.092 0.000 2.362 93 K HA 0.520 4.760 4.320 -0.134 0.000 0.245 93 K C 0.827 177.393 176.600 -0.056 0.000 1.040 93 K CA 0.316 56.551 56.287 -0.086 0.000 0.961 93 K CB 0.177 32.597 32.500 -0.134 0.000 1.252 93 K HN 0.345 nan 8.250 nan 0.000 0.503 94 Q N 0.478 120.251 119.800 -0.046 0.000 2.796 94 Q HA 0.272 4.532 4.340 -0.134 0.000 0.178 94 Q C 1.681 177.674 176.000 -0.012 0.000 1.063 94 Q CA 0.705 56.496 55.803 -0.019 0.000 0.848 94 Q CB -1.075 27.656 28.738 -0.011 0.000 3.016 94 Q HN 0.717 nan 8.270 nan 0.000 0.413 95 E N -0.211 119.993 120.200 0.007 0.000 2.042 95 E HA 0.008 4.277 4.350 -0.134 0.000 0.189 95 E C 0.235 176.841 176.600 0.008 0.000 0.974 95 E CA 1.347 57.761 56.400 0.024 0.000 0.806 95 E CB -1.971 27.756 29.700 0.045 0.000 0.769 95 E HN 0.654 nan 8.360 nan 0.000 0.451 96 P HA -0.048 nan 4.420 nan 0.000 0.218 96 P C 0.718 178.008 177.300 -0.018 0.000 1.147 96 P CA 2.648 65.749 63.100 0.003 0.000 0.827 96 P CB 0.204 31.905 31.700 0.002 0.000 0.778 97 E N -1.360 118.815 120.200 -0.042 0.000 3.303 97 E HA 0.062 4.332 4.350 -0.134 0.000 0.142 97 E C 1.082 177.610 176.600 -0.120 0.000 0.921 97 E CA -0.317 56.042 56.400 -0.069 0.000 1.460 97 E CB -1.146 28.524 29.700 -0.049 0.000 1.036 97 E HN 0.194 nan 8.360 nan 0.000 0.407 98 R N 0.287 120.713 120.500 -0.122 0.000 2.285 98 R HA -0.039 4.221 4.340 -0.134 0.000 0.213 98 R C 1.130 177.249 176.300 -0.301 0.000 1.068 98 R CA 1.363 57.338 56.100 -0.207 0.000 1.004 98 R CB -0.147 30.085 30.300 -0.114 0.000 0.873 98 R HN 0.269 nan 8.270 nan 0.000 0.467 99 N N 1.159 119.763 118.700 -0.159 0.000 2.349 99 N HA -0.077 4.582 4.740 -0.134 0.000 0.180 99 N C 1.281 176.727 175.510 -0.106 0.000 1.024 99 N CA 0.788 53.786 53.050 -0.087 0.000 0.869 99 N CB 0.057 38.402 38.487 -0.237 0.000 1.022 99 N HN 0.091 nan 8.380 nan 0.000 0.433 100 E N 0.480 120.616 120.200 -0.107 0.000 2.233 100 E HA -0.188 4.082 4.350 -0.134 0.000 0.199 100 E C 2.032 178.598 176.600 -0.056 0.000 1.004 100 E CA 0.479 56.844 56.400 -0.058 0.000 0.819 100 E CB -0.964 28.720 29.700 -0.027 0.000 0.738 100 E HN 0.401 nan 8.360 nan 0.000 0.478 101 c N 0.006 118.527 118.600 -0.132 0.000 2.462 101 c HA -0.147 4.343 4.570 -0.134 0.000 0.278 101 c C 2.529 176.620 174.090 0.001 0.000 1.253 101 c CA 0.369 56.624 56.329 -0.123 0.000 1.713 101 c CB -1.274 41.037 42.510 -0.331 0.000 2.049 101 c HN 0.279 nan 8.230 nan 0.000 0.477 102 F N 1.468 121.384 119.950 -0.057 0.000 2.069 102 F HA -0.058 4.388 4.527 -0.136 0.000 0.298 102 F C 2.235 178.077 175.800 0.070 0.000 1.113 102 F CA 1.632 59.572 58.000 -0.099 0.000 1.214 102 F CB -1.184 37.483 39.000 -0.555 0.000 0.978 102 F HN 0.178 nan 8.300 nan 0.000 0.474 103 L N -0.451 120.924 121.223 0.254 0.000 2.043 103 L HA -0.291 3.968 4.340 -0.134 0.000 0.212 103 L C 2.482 179.424 176.870 0.121 0.000 1.075 103 L CA 1.852 56.797 54.840 0.175 0.000 0.752 103 L CB -0.932 41.147 42.059 0.035 0.000 0.891 103 L HN 0.247 nan 8.230 nan 0.000 0.432 104 Q N -0.449 119.392 119.800 0.068 0.000 2.364 104 Q HA -0.189 4.070 4.340 -0.134 0.000 0.207 104 Q C 1.260 177.201 176.000 -0.097 0.000 0.970 104 Q CA 1.212 56.998 55.803 -0.029 0.000 0.888 104 Q CB 0.112 28.785 28.738 -0.108 0.000 0.951 104 Q HN 0.594 nan 8.270 nan 0.000 0.469 105 H N -0.438 118.677 119.070 0.074 0.000 2.517 105 H HA 0.228 4.703 4.556 -0.134 0.000 0.282 105 H C -0.488 174.897 175.328 0.094 0.000 1.023 105 H CA -0.177 55.917 56.048 0.077 0.000 1.169 105 H CB 0.461 30.269 29.762 0.077 0.000 1.454 105 H HN -0.022 nan 8.280 nan 0.000 0.556 106 K N 1.373 121.877 120.400 0.172 0.000 2.368 106 K HA 0.008 4.247 4.320 -0.134 0.000 0.282 106 K C -0.412 176.263 176.600 0.124 0.000 1.035 106 K CA -0.146 56.210 56.287 0.115 0.000 0.973 106 K CB 0.711 33.211 32.500 0.000 0.000 0.957 106 K HN 0.153 nan 8.250 nan 0.000 0.474 107 D N 2.109 122.565 120.400 0.093 0.000 2.233 107 D HA 0.066 4.626 4.640 -0.134 0.000 0.240 107 D C 0.001 176.342 176.300 0.068 0.000 1.074 107 D CA -0.278 53.766 54.000 0.074 0.000 0.838 107 D CB 1.100 41.930 40.800 0.050 0.000 1.124 107 D HN 0.399 nan 8.370 nan 0.000 0.475 108 D N 2.552 122.993 120.400 0.068 0.000 2.355 108 D HA -0.035 4.525 4.640 -0.134 0.000 0.218 108 D C 0.011 176.300 176.300 -0.018 0.000 1.004 108 D CA 0.526 54.553 54.000 0.045 0.000 0.880 108 D CB 0.370 41.182 40.800 0.021 0.000 0.911 108 D HN 0.454 nan 8.370 nan 0.000 0.528 109 N N 0.852 119.541 118.700 -0.018 0.000 2.711 109 N HA 0.164 4.823 4.740 -0.134 0.000 0.263 109 N C -2.803 172.691 175.510 -0.027 0.000 1.667 109 N CA -1.107 51.922 53.050 -0.035 0.000 0.785 109 N CB 1.500 39.971 38.487 -0.026 0.000 1.231 109 N HN -0.185 nan 8.380 nan 0.000 0.503 110 P HA 0.084 nan 4.420 nan 0.000 0.267 110 P C 0.127 177.414 177.300 -0.022 0.000 1.200 110 P CA 0.308 63.393 63.100 -0.025 0.000 0.772 110 P CB 0.458 32.131 31.700 -0.045 0.000 0.855 111 N N 3.035 121.731 118.700 -0.006 0.000 2.843 111 N HA 0.131 4.790 4.740 -0.134 0.000 0.284 111 N C 0.098 175.607 175.510 -0.001 0.000 1.274 111 N CA -0.178 52.871 53.050 -0.002 0.000 1.045 111 N CB -0.830 37.662 38.487 0.007 0.000 1.370 111 N HN 0.290 nan 8.380 nan 0.000 0.525 112 L N 0.426 121.641 121.223 -0.013 0.000 2.276 112 L HA 0.394 4.654 4.340 -0.134 0.000 0.286 112 L C -1.866 174.999 176.870 -0.008 0.000 1.061 112 L CA -1.700 53.132 54.840 -0.012 0.000 0.807 112 L CB 1.157 43.193 42.059 -0.038 0.000 1.177 112 L HN 0.242 nan 8.230 nan 0.000 0.429 113 P HA 0.078 nan 4.420 nan 0.000 0.266 113 P C 0.081 177.385 177.300 0.006 0.000 1.193 113 P CA -0.167 62.938 63.100 0.009 0.000 0.770 113 P CB 0.378 32.089 31.700 0.019 0.000 0.836 114 R N 1.831 122.337 120.500 0.010 0.000 2.678 114 R HA 0.020 4.280 4.340 -0.134 0.000 0.264 114 R C 0.012 176.323 176.300 0.018 0.000 0.995 114 R CA 0.093 56.201 56.100 0.013 0.000 1.098 114 R CB -0.886 29.425 30.300 0.019 0.000 0.949 114 R HN 0.569 nan 8.270 nan 0.000 0.422 115 L N 3.825 125.059 121.223 0.020 0.000 2.407 115 L HA 0.401 4.661 4.340 -0.134 0.000 0.261 115 L C 0.089 176.984 176.870 0.041 0.000 1.108 115 L CA -0.630 54.226 54.840 0.026 0.000 0.995 115 L CB 0.956 43.024 42.059 0.015 0.000 1.349 115 L HN 0.613 nan 8.230 nan 0.000 0.423 116 V N 6.090 126.030 119.914 0.043 0.000 2.881 116 V HA 0.481 4.520 4.120 -0.134 0.000 0.303 116 V C 0.105 176.237 176.094 0.063 0.000 1.070 116 V CA -0.377 61.953 62.300 0.050 0.000 1.074 116 V CB 0.939 32.789 31.823 0.044 0.000 1.012 116 V HN 0.910 nan 8.190 nan 0.000 0.482 117 R N 6.300 126.845 120.500 0.074 0.000 2.562 117 R HA 0.694 4.954 4.340 -0.134 0.000 0.298 117 R C -2.669 173.688 176.300 0.094 0.000 0.961 117 R CA -1.722 54.436 56.100 0.097 0.000 0.881 117 R CB 1.086 31.458 30.300 0.120 0.000 1.159 117 R HN 0.611 nan 8.270 nan 0.000 0.450 118 P HA 0.013 nan 4.420 nan 0.000 0.269 118 P C -0.656 176.704 177.300 0.100 0.000 1.215 118 P CA -0.205 62.954 63.100 0.098 0.000 0.780 118 P CB 0.649 32.415 31.700 0.110 0.000 0.898 119 E N 0.020 120.266 120.200 0.076 0.000 2.492 119 E HA -0.049 4.220 4.350 -0.134 0.000 0.266 119 E C 1.302 177.952 176.600 0.083 0.000 1.047 119 E CA -0.322 56.117 56.400 0.066 0.000 0.968 119 E CB 0.296 30.026 29.700 0.051 0.000 0.960 119 E HN 0.136 nan 8.360 nan 0.000 0.452 120 V N 2.259 122.213 119.914 0.068 0.000 2.660 120 V HA -0.259 3.781 4.120 -0.134 0.000 0.257 120 V C 1.396 177.540 176.094 0.082 0.000 1.088 120 V CA 1.792 64.137 62.300 0.076 0.000 1.106 120 V CB -0.489 31.353 31.823 0.032 0.000 0.686 120 V HN 0.620 nan 8.190 nan 0.000 0.481 121 D N -0.090 120.349 120.400 0.064 0.000 2.183 121 D HA -0.072 4.487 4.640 -0.134 0.000 0.203 121 D C 2.100 178.434 176.300 0.056 0.000 0.969 121 D CA 1.074 55.108 54.000 0.056 0.000 0.842 121 D CB 0.177 41.003 40.800 0.043 0.000 0.957 121 D HN 0.407 nan 8.370 nan 0.000 0.484 122 V N 0.835 120.788 119.914 0.065 0.000 2.379 122 V HA -0.153 3.886 4.120 -0.134 0.000 0.243 122 V C 2.539 178.659 176.094 0.043 0.000 1.035 122 V CA 0.911 63.245 62.300 0.056 0.000 1.035 122 V CB -0.392 31.473 31.823 0.070 0.000 0.673 122 V HN 0.110 nan 8.190 nan 0.000 0.457 123 M N -0.341 119.322 119.600 0.105 0.000 2.073 123 M HA -0.275 4.124 4.480 -0.134 0.000 0.258 123 M C 2.443 178.613 176.300 -0.217 0.000 1.070 123 M CA 2.176 57.538 55.300 0.104 0.000 1.103 123 M CB -0.999 31.855 32.600 0.424 0.000 1.321 123 M HN 0.389 nan 8.290 nan 0.000 0.405 124 c N 0.050 118.642 118.600 -0.014 0.000 2.413 124 c HA -0.134 4.355 4.570 -0.134 0.000 0.277 124 c C 2.935 176.974 174.090 -0.086 0.000 1.265 124 c CA 1.444 57.749 56.329 -0.040 0.000 1.752 124 c CB -1.104 41.456 42.510 0.083 0.000 1.998 124 c HN 0.592 nan 8.230 nan 0.000 0.489 125 T N 0.994 115.522 114.554 -0.043 0.000 2.668 125 T HA -0.097 4.172 4.350 -0.134 0.000 0.262 125 T C 2.168 176.792 174.700 -0.126 0.000 1.045 125 T CA 1.687 63.773 62.100 -0.024 0.000 1.152 125 T CB -0.533 68.334 68.868 -0.003 0.000 0.864 125 T HN 0.605 nan 8.240 nan 0.000 0.419 126 A N 1.040 123.747 122.820 -0.188 0.000 1.978 126 A HA -0.079 4.161 4.320 -0.134 0.000 0.220 126 A C 2.012 179.283 177.584 -0.522 0.000 1.170 126 A CA 1.561 53.457 52.037 -0.234 0.000 0.636 126 A CB -0.925 18.019 19.000 -0.093 0.000 0.810 126 A HN 0.505 nan 8.150 nan 0.000 0.448 127 F N 0.189 119.434 119.950 -1.175 0.000 2.060 127 F HA -0.142 4.305 4.527 -0.133 0.000 0.295 127 F C 2.383 177.850 175.800 -0.556 0.000 1.120 127 F CA 2.055 59.210 58.000 -1.409 0.000 1.205 127 F CB -0.626 37.368 39.000 -1.675 0.000 0.986 127 F HN 0.338 nan 8.300 nan 0.000 0.470 128 H N -0.073 118.631 119.070 -0.610 0.000 2.319 128 H HA -0.151 4.325 4.556 -0.133 0.000 0.299 128 H C 1.960 177.067 175.328 -0.368 0.000 1.092 128 H CA 1.859 57.592 56.048 -0.526 0.000 1.302 128 H CB -0.865 28.752 29.762 -0.242 0.000 1.373 128 H HN 0.407 nan 8.280 nan 0.000 0.497 129 D N 0.277 120.599 120.400 -0.129 0.000 2.087 129 D HA -0.149 4.411 4.640 -0.134 0.000 0.192 129 D C 0.569 176.801 176.300 -0.113 0.000 0.993 129 D CA 1.063 55.003 54.000 -0.100 0.000 0.828 129 D CB 0.004 40.763 40.800 -0.068 0.000 0.968 129 D HN 0.073 nan 8.370 nan 0.000 0.448 130 N N -0.129 118.494 118.700 -0.128 0.000 2.617 130 N HA 0.037 4.696 4.740 -0.134 0.000 0.263 130 N C -0.237 175.224 175.510 -0.081 0.000 1.074 130 N CA -0.172 52.837 53.050 -0.070 0.000 0.841 130 N CB 1.145 39.638 38.487 0.010 0.000 1.221 130 N HN 0.252 nan 8.380 nan 0.000 0.529 131 E N 1.837 121.944 120.200 -0.155 0.000 2.274 131 E HA -0.145 4.124 4.350 -0.134 0.000 0.194 131 E C 0.935 177.597 176.600 0.103 0.000 0.996 131 E CA 0.918 57.235 56.400 -0.138 0.000 0.840 131 E CB 0.383 29.928 29.700 -0.258 0.000 0.772 131 E HN 0.709 nan 8.360 nan 0.000 0.491 132 E N -0.283 119.969 120.200 0.087 0.000 2.033 132 E HA -0.099 4.171 4.350 -0.134 0.000 0.189 132 E C 1.711 178.422 176.600 0.184 0.000 0.979 132 E CA 1.481 57.957 56.400 0.128 0.000 0.802 132 E CB 0.045 29.798 29.700 0.088 0.000 0.763 132 E HN 0.143 nan 8.360 nan 0.000 0.449 133 T N 0.871 115.538 114.554 0.188 0.000 2.881 133 T HA -0.126 4.143 4.350 -0.134 0.000 0.270 133 T C 1.294 176.138 174.700 0.240 0.000 1.068 133 T CA 0.876 63.128 62.100 0.254 0.000 1.131 133 T CB -0.328 68.682 68.868 0.236 0.000 0.871 133 T HN 0.175 nan 8.240 nan 0.000 0.479 134 F N 1.659 121.649 119.950 0.066 0.000 2.084 134 F HA 0.070 4.519 4.527 -0.131 0.000 0.296 134 F C 1.913 177.773 175.800 0.101 0.000 1.111 134 F CA 0.966 58.995 58.000 0.047 0.000 1.224 134 F CB -0.462 38.575 39.000 0.063 0.000 0.991 134 F HN 0.048 nan 8.300 nan 0.000 0.471 135 L N -0.227 121.136 121.223 0.234 0.000 2.056 135 L HA -0.200 4.059 4.340 -0.134 0.000 0.207 135 L C 2.403 179.352 176.870 0.132 0.000 1.078 135 L CA 1.298 56.250 54.840 0.186 0.000 0.749 135 L CB -0.727 41.485 42.059 0.255 0.000 0.901 135 L HN 0.066 nan 8.230 nan 0.000 0.433 136 K N 0.434 120.926 120.400 0.154 0.000 2.063 136 K HA -0.256 3.984 4.320 -0.134 0.000 0.208 136 K C 2.164 178.823 176.600 0.099 0.000 1.048 136 K CA 1.548 57.954 56.287 0.198 0.000 0.928 136 K CB -0.113 32.598 32.500 0.352 0.000 0.713 136 K HN 0.134 nan 8.250 nan 0.000 0.442 137 K N 0.154 120.436 120.400 -0.195 0.000 2.097 137 K HA -0.214 4.025 4.320 -0.134 0.000 0.206 137 K C 2.132 178.602 176.600 -0.216 0.000 1.049 137 K CA 1.239 57.175 56.287 -0.585 0.000 0.933 137 K CB -0.223 31.870 32.500 -0.679 0.000 0.717 137 K HN 0.096 nan 8.250 nan 0.000 0.442 138 Y N 1.591 121.691 120.300 -0.334 0.000 2.049 138 Y HA -0.264 4.206 4.550 -0.133 0.000 0.277 138 Y C 1.620 177.333 175.900 -0.311 0.000 1.143 138 Y CA 1.827 59.676 58.100 -0.418 0.000 1.115 138 Y CB -0.586 37.499 38.460 -0.625 0.000 0.975 138 Y HN -0.007 nan 8.280 nan 0.000 0.487 139 L N -0.970 120.037 121.223 -0.361 0.000 2.013 139 L HA -0.297 3.962 4.340 -0.134 0.000 0.212 139 L C 2.455 179.145 176.870 -0.301 0.000 1.073 139 L CA 2.036 56.622 54.840 -0.423 0.000 0.753 139 L CB -1.256 40.699 42.059 -0.173 0.000 0.890 139 L HN 0.377 nan 8.230 nan 0.000 0.432 140 Y N 1.396 121.560 120.300 -0.227 0.000 2.053 140 Y HA -0.312 4.160 4.550 -0.129 0.000 0.277 140 Y C 2.663 178.451 175.900 -0.187 0.000 1.159 140 Y CA 1.930 59.946 58.100 -0.141 0.000 1.125 140 Y CB -0.283 38.180 38.460 0.004 0.000 0.969 140 Y HN 0.148 nan 8.280 nan 0.000 0.492 141 E N 0.164 120.135 120.200 -0.381 0.000 2.077 141 E HA -0.184 4.086 4.350 -0.134 0.000 0.193 141 E C 2.341 178.714 176.600 -0.378 0.000 0.989 141 E CA 1.428 57.570 56.400 -0.430 0.000 0.800 141 E CB -0.311 29.253 29.700 -0.228 0.000 0.746 141 E HN 0.504 nan 8.360 nan 0.000 0.452 142 I N 1.045 121.340 120.570 -0.458 0.000 2.133 142 I HA -0.162 3.928 4.170 -0.134 0.000 0.238 142 I C 2.428 178.383 176.117 -0.269 0.000 1.074 142 I CA 1.112 62.166 61.300 -0.410 0.000 1.342 142 I CB -1.522 35.989 38.000 -0.815 0.000 1.053 142 I HN -0.049 nan 8.210 nan 0.000 0.404 143 A N 1.435 124.033 122.820 -0.371 0.000 2.070 143 A HA -0.193 4.046 4.320 -0.134 0.000 0.220 143 A C 2.303 179.763 177.584 -0.207 0.000 1.159 143 A CA 1.468 53.349 52.037 -0.259 0.000 0.656 143 A CB -0.660 18.176 19.000 -0.274 0.000 0.800 143 A HN 0.603 nan 8.150 nan 0.000 0.453 144 R N -1.350 118.980 120.500 -0.284 0.000 2.246 144 R HA 0.152 4.411 4.340 -0.134 0.000 0.199 144 R C 1.574 177.756 176.300 -0.196 0.000 0.984 144 R CA 0.634 56.571 56.100 -0.271 0.000 1.015 144 R CB -0.120 29.903 30.300 -0.461 0.000 0.930 144 R HN 0.355 nan 8.270 nan 0.000 0.475 145 R N -0.075 120.318 120.500 -0.178 0.000 2.308 145 R HA 0.169 4.429 4.340 -0.134 0.000 0.202 145 R C -0.095 175.982 176.300 -0.373 0.000 0.898 145 R CA 0.177 56.141 56.100 -0.226 0.000 1.046 145 R CB 0.552 30.730 30.300 -0.203 0.000 1.026 145 R HN 0.332 nan 8.270 nan 0.000 0.512 146 H N 0.902 119.952 119.070 -0.034 0.000 2.488 146 H HA 0.154 4.615 4.556 -0.158 0.000 0.237 146 H C -1.979 173.379 175.328 0.050 0.000 1.395 146 H CA -1.606 54.484 56.048 0.069 0.000 1.491 146 H CB 1.579 31.467 29.762 0.210 0.000 1.567 146 H HN -0.021 nan 8.280 nan 0.000 0.508 147 P HA -0.164 nan 4.420 nan 0.000 0.229 147 P C 0.269 177.365 177.300 -0.340 0.000 1.150 147 P CA 1.249 64.253 63.100 -0.159 0.000 0.765 147 P CB 0.099 31.680 31.700 -0.198 0.000 0.783 148 Y N -3.103 117.229 120.300 0.053 0.000 2.500 148 Y HA 0.291 4.766 4.550 -0.124 0.000 0.246 148 Y C 0.930 176.897 175.900 0.112 0.000 1.146 148 Y CA -1.066 57.062 58.100 0.048 0.000 1.230 148 Y CB -0.358 38.110 38.460 0.013 0.000 1.214 148 Y HN -0.246 nan 8.280 nan 0.000 0.526 149 F N 1.667 121.681 119.950 0.107 0.000 2.580 149 F HA -0.116 4.381 4.527 -0.050 0.000 0.398 149 F C 0.425 176.291 175.800 0.110 0.000 1.023 149 F CA -0.697 57.337 58.000 0.055 0.000 1.188 149 F CB -0.054 38.907 39.000 -0.066 0.000 1.005 149 F HN 0.098 nan 8.300 nan 0.000 0.546 150 Y N 7.425 127.853 120.300 0.213 0.000 2.828 150 Y HA 0.174 4.651 4.550 -0.122 0.000 0.359 150 Y C 1.095 177.186 175.900 0.317 0.000 1.258 150 Y CA -0.369 57.862 58.100 0.218 0.000 1.652 150 Y CB -0.076 38.484 38.460 0.166 0.000 1.232 150 Y HN 0.755 nan 8.280 nan 0.000 0.513 151 A N 7.633 130.527 122.820 0.124 0.000 1.870 151 A HA -0.225 4.015 4.320 -0.134 0.000 0.219 151 A C -0.159 177.350 177.584 -0.124 0.000 1.224 151 A CA 2.023 54.036 52.037 -0.039 0.000 0.650 151 A CB -1.861 17.080 19.000 -0.099 0.000 0.836 151 A HN 0.667 nan 8.150 nan 0.000 0.454 152 P HA -0.181 nan 4.420 nan 0.000 0.217 152 P C 1.287 178.539 177.300 -0.081 0.000 1.151 152 P CA 1.541 64.470 63.100 -0.286 0.000 0.849 152 P CB -0.032 31.346 31.700 -0.536 0.000 0.787 153 E N -1.111 119.079 120.200 -0.017 0.000 2.112 153 E HA -0.084 4.185 4.350 -0.134 0.000 0.190 153 E C 1.864 178.869 176.600 0.675 0.000 0.979 153 E CA 0.577 57.245 56.400 0.446 0.000 0.814 153 E CB -0.881 29.254 29.700 0.724 0.000 0.762 153 E HN 0.158 nan 8.360 nan 0.000 0.460 154 L N 1.140 122.601 121.223 0.395 0.000 2.127 154 L HA -0.146 4.113 4.340 -0.134 0.000 0.211 154 L C 2.124 179.081 176.870 0.145 0.000 1.089 154 L CA 1.336 56.210 54.840 0.057 0.000 0.757 154 L CB -0.553 41.264 42.059 -0.404 0.000 0.899 154 L HN 0.078 nan 8.230 nan 0.000 0.434 155 L N -2.050 119.258 121.223 0.142 0.000 2.093 155 L HA -0.220 4.040 4.340 -0.134 0.000 0.208 155 L C 2.456 179.442 176.870 0.193 0.000 1.085 155 L CA 1.333 56.248 54.840 0.126 0.000 0.755 155 L CB -0.780 41.330 42.059 0.085 0.000 0.904 155 L HN 0.300 nan 8.230 nan 0.000 0.435 156 F N 0.788 120.808 119.950 0.116 0.000 2.102 156 F HA -0.226 4.217 4.527 -0.140 0.000 0.298 156 F C 2.179 177.982 175.800 0.004 0.000 1.105 156 F CA 1.385 59.397 58.000 0.021 0.000 1.239 156 F CB -0.482 38.482 39.000 -0.061 0.000 0.991 156 F HN -0.135 nan 8.300 nan 0.000 0.474 157 F N 0.546 120.494 119.950 -0.002 0.000 2.202 157 F HA -0.136 4.315 4.527 -0.126 0.000 0.301 157 F C 2.549 178.354 175.800 0.010 0.000 1.082 157 F CA 1.227 59.198 58.000 -0.048 0.000 1.313 157 F CB -1.312 37.769 39.000 0.135 0.000 1.024 157 F HN 0.102 nan 8.300 nan 0.000 0.495 158 A N -0.145 122.824 122.820 0.248 0.000 1.873 158 A HA -0.229 4.011 4.320 -0.134 0.000 0.215 158 A C 2.198 179.850 177.584 0.114 0.000 1.186 158 A CA 1.797 53.985 52.037 0.251 0.000 0.616 158 A CB -0.733 18.389 19.000 0.203 0.000 0.823 158 A HN 0.308 nan 8.150 nan 0.000 0.442 159 K N -0.594 119.806 120.400 -0.001 0.000 2.103 159 K HA -0.144 4.095 4.320 -0.134 0.000 0.207 159 K C 2.318 178.847 176.600 -0.119 0.000 1.048 159 K CA 1.455 57.712 56.287 -0.049 0.000 0.930 159 K CB -0.118 32.333 32.500 -0.082 0.000 0.716 159 K HN 0.390 nan 8.250 nan 0.000 0.444 160 R N -1.004 119.346 120.500 -0.250 0.000 2.062 160 R HA -0.119 4.141 4.340 -0.134 0.000 0.226 160 R C 2.247 178.468 176.300 -0.131 0.000 1.125 160 R CA 1.386 57.333 56.100 -0.255 0.000 0.966 160 R CB -0.533 29.520 30.300 -0.412 0.000 0.861 160 R HN 0.290 nan 8.270 nan 0.000 0.433 161 Y N 2.322 122.498 120.300 -0.207 0.000 2.102 161 Y HA -0.343 4.128 4.550 -0.131 0.000 0.280 161 Y C 2.434 178.254 175.900 -0.134 0.000 1.178 161 Y CA 1.916 59.862 58.100 -0.257 0.000 1.146 161 Y CB -0.206 37.930 38.460 -0.540 0.000 0.968 161 Y HN -0.092 nan 8.280 nan 0.000 0.504 162 K N -0.169 120.217 120.400 -0.023 0.000 1.991 162 K HA -0.219 4.021 4.320 -0.134 0.000 0.212 162 K C 2.267 178.810 176.600 -0.094 0.000 1.049 162 K CA 1.485 57.765 56.287 -0.011 0.000 0.932 162 K CB -0.568 32.014 32.500 0.136 0.000 0.717 162 K HN 0.383 nan 8.250 nan 0.000 0.441 163 A N 0.811 123.586 122.820 -0.076 0.000 2.084 163 A HA -0.162 4.078 4.320 -0.134 0.000 0.221 163 A C 2.192 179.679 177.584 -0.162 0.000 1.161 163 A CA 1.935 53.922 52.037 -0.082 0.000 0.653 163 A CB -0.677 18.275 19.000 -0.080 0.000 0.802 163 A HN 0.532 nan 8.150 nan 0.000 0.457 164 A N -0.953 121.703 122.820 -0.273 0.000 1.855 164 A HA 0.056 4.295 4.320 -0.134 0.000 0.215 164 A C 1.926 179.219 177.584 -0.486 0.000 1.191 164 A CA 1.490 53.288 52.037 -0.398 0.000 0.613 164 A CB -0.692 17.973 19.000 -0.558 0.000 0.829 164 A HN 0.453 nan 8.150 nan 0.000 0.442 165 F N 0.393 119.988 119.950 -0.590 0.000 2.113 165 F HA -0.093 4.352 4.527 -0.136 0.000 0.297 165 F C 2.779 178.283 175.800 -0.494 0.000 1.103 165 F CA 1.800 59.341 58.000 -0.764 0.000 1.248 165 F CB -0.992 37.053 39.000 -1.592 0.000 0.999 165 F HN 0.107 nan 8.300 nan 0.000 0.475 166 T N -0.778 113.693 114.554 -0.137 0.000 2.778 166 T HA -0.252 4.017 4.350 -0.134 0.000 0.269 166 T C 1.862 176.619 174.700 0.095 0.000 1.050 166 T CA 1.837 64.036 62.100 0.166 0.000 1.137 166 T CB -0.200 68.774 68.868 0.178 0.000 0.860 166 T HN 0.372 nan 8.240 nan 0.000 0.468 167 E N -0.903 119.289 120.200 -0.013 0.000 2.110 167 E HA -0.013 4.256 4.350 -0.134 0.000 0.193 167 E C 2.352 178.934 176.600 -0.030 0.000 0.950 167 E CA 0.290 56.682 56.400 -0.014 0.000 0.840 167 E CB 0.002 29.674 29.700 -0.047 0.000 0.809 167 E HN 0.370 nan 8.360 nan 0.000 0.465 168 c N 0.838 119.378 118.600 -0.101 0.000 2.413 168 c HA -0.156 4.334 4.570 -0.134 0.000 0.277 168 c C 2.696 176.758 174.090 -0.045 0.000 1.265 168 c CA 0.569 56.833 56.329 -0.110 0.000 1.752 168 c CB -0.906 41.470 42.510 -0.223 0.000 1.998 168 c HN 0.629 nan 8.230 nan 0.000 0.489 169 c N -0.375 118.224 118.600 -0.002 0.000 2.449 169 c HA -0.068 4.421 4.570 -0.134 0.000 0.283 169 c C 2.254 176.423 174.090 0.133 0.000 1.453 169 c CA 0.712 57.092 56.329 0.085 0.000 1.779 169 c CB -1.645 40.941 42.510 0.126 0.000 1.779 169 c HN 0.649 nan 8.230 nan 0.000 0.546 170 Q N -0.063 119.797 119.800 0.100 0.000 2.247 170 Q HA 0.305 4.565 4.340 -0.134 0.000 0.204 170 Q C 1.099 177.123 176.000 0.040 0.000 0.872 170 Q CA -0.248 55.606 55.803 0.085 0.000 0.951 170 Q CB 0.382 29.173 28.738 0.088 0.000 1.099 170 Q HN 0.718 nan 8.270 nan 0.000 0.501 171 A N -0.016 122.818 122.820 0.023 0.000 2.599 171 A HA 0.569 4.809 4.320 -0.134 0.000 0.257 171 A C 0.939 178.528 177.584 0.008 0.000 1.641 171 A CA 0.535 52.575 52.037 0.006 0.000 0.842 171 A CB -0.056 18.937 19.000 -0.013 0.000 1.599 171 A HN 0.286 nan 8.150 nan 0.000 0.585 172 A N -2.214 120.607 122.820 0.001 0.000 2.055 172 A HA 0.351 4.590 4.320 -0.134 0.000 0.205 172 A C 0.314 177.899 177.584 0.001 0.000 1.235 172 A CA 1.057 53.095 52.037 0.002 0.000 0.822 172 A CB 0.223 19.223 19.000 -0.000 0.000 0.903 172 A HN 0.591 nan 8.150 nan 0.000 0.473 173 D N -0.265 120.131 120.400 -0.006 0.000 2.375 173 D HA 0.299 4.858 4.640 -0.134 0.000 0.259 173 D C 0.829 177.118 176.300 -0.018 0.000 1.235 173 D CA -0.172 53.823 54.000 -0.009 0.000 0.924 173 D CB 1.209 42.002 40.800 -0.011 0.000 1.143 173 D HN -0.062 nan 8.370 nan 0.000 0.529 174 K N 1.164 121.556 120.400 -0.014 0.000 2.002 174 K HA -0.076 4.164 4.320 -0.134 0.000 0.209 174 K C 2.163 178.733 176.600 -0.050 0.000 1.048 174 K CA 1.255 57.524 56.287 -0.030 0.000 0.930 174 K CB -0.658 31.837 32.500 -0.007 0.000 0.714 174 K HN 0.537 nan 8.250 nan 0.000 0.438 175 A N 1.132 123.934 122.820 -0.031 0.000 1.986 175 A HA -0.096 4.144 4.320 -0.134 0.000 0.220 175 A C 2.470 180.028 177.584 -0.045 0.000 1.171 175 A CA 2.109 54.126 52.037 -0.034 0.000 0.640 175 A CB -0.956 18.037 19.000 -0.013 0.000 0.811 175 A HN 0.499 nan 8.150 nan 0.000 0.451 176 A N -1.395 121.402 122.820 -0.038 0.000 1.897 176 A HA -0.145 4.094 4.320 -0.134 0.000 0.215 176 A C 2.416 179.967 177.584 -0.055 0.000 1.181 176 A CA 1.587 53.601 52.037 -0.038 0.000 0.620 176 A CB -1.286 17.698 19.000 -0.027 0.000 0.821 176 A HN 0.863 nan 8.150 nan 0.000 0.443 177 c N -1.357 117.203 118.600 -0.067 0.000 2.457 177 c HA 0.126 4.615 4.570 -0.134 0.000 0.278 177 c C 2.402 176.410 174.090 -0.137 0.000 1.309 177 c CA 1.059 57.335 56.329 -0.088 0.000 1.735 177 c CB -1.303 41.158 42.510 -0.083 0.000 1.992 177 c HN 0.549 nan 8.230 nan 0.000 0.493 178 L N 0.471 121.592 121.223 -0.170 0.000 2.004 178 L HA 0.106 4.366 4.340 -0.134 0.000 0.205 178 L C 2.421 179.168 176.870 -0.205 0.000 1.089 178 L CA 1.583 56.263 54.840 -0.267 0.000 0.756 178 L CB -0.921 40.938 42.059 -0.334 0.000 0.900 178 L HN 0.263 nan 8.230 nan 0.000 0.440 179 L N -0.304 120.835 121.223 -0.140 0.000 2.113 179 L HA -0.341 3.919 4.340 -0.134 0.000 0.237 179 L C 0.099 176.926 176.870 -0.073 0.000 1.113 179 L CA 2.987 57.776 54.840 -0.085 0.000 0.837 179 L CB -2.714 39.316 42.059 -0.047 0.000 0.929 179 L HN 0.279 nan 8.230 nan 0.000 0.449 180 P HA -0.197 nan 4.420 nan 0.000 0.211 180 P C 1.532 178.798 177.300 -0.056 0.000 1.181 180 P CA 1.589 64.660 63.100 -0.049 0.000 0.929 180 P CB -0.120 31.551 31.700 -0.048 0.000 0.789 181 K N -0.691 119.654 120.400 -0.091 0.000 2.173 181 K HA -0.172 4.067 4.320 -0.134 0.000 0.207 181 K C 2.086 178.632 176.600 -0.090 0.000 1.046 181 K CA 1.258 57.484 56.287 -0.101 0.000 0.929 181 K CB -0.796 31.606 32.500 -0.163 0.000 0.720 181 K HN 0.194 nan 8.250 nan 0.000 0.453 182 L N 0.694 121.849 121.223 -0.113 0.000 2.109 182 L HA -0.161 4.099 4.340 -0.134 0.000 0.207 182 L C 1.985 178.868 176.870 0.022 0.000 1.086 182 L CA 0.949 55.755 54.840 -0.058 0.000 0.760 182 L CB -0.367 41.635 42.059 -0.094 0.000 0.910 182 L HN 0.202 nan 8.230 nan 0.000 0.437 183 D N 0.109 120.516 120.400 0.011 0.000 2.084 183 D HA -0.240 4.320 4.640 -0.134 0.000 0.196 183 D C 1.914 178.248 176.300 0.057 0.000 0.985 183 D CA 1.295 55.317 54.000 0.037 0.000 0.826 183 D CB -0.013 40.801 40.800 0.024 0.000 0.978 183 D HN 0.336 nan 8.370 nan 0.000 0.456 184 E N 0.535 120.760 120.200 0.042 0.000 2.147 184 E HA -0.200 4.070 4.350 -0.134 0.000 0.199 184 E C 2.311 178.975 176.600 0.106 0.000 1.005 184 E CA 0.830 57.266 56.400 0.060 0.000 0.810 184 E CB -0.090 29.630 29.700 0.033 0.000 0.736 184 E HN 0.240 nan 8.360 nan 0.000 0.460 185 L N -0.565 120.728 121.223 0.117 0.000 2.131 185 L HA -0.117 4.143 4.340 -0.134 0.000 0.206 185 L C 3.105 180.111 176.870 0.227 0.000 1.087 185 L CA 1.148 56.112 54.840 0.208 0.000 0.767 185 L CB -0.653 41.532 42.059 0.210 0.000 0.917 185 L HN 0.177 nan 8.230 nan 0.000 0.441 186 R N 0.212 120.808 120.500 0.162 0.000 2.091 186 R HA -0.199 4.060 4.340 -0.134 0.000 0.238 186 R C 1.714 178.087 176.300 0.120 0.000 1.136 186 R CA 2.070 58.251 56.100 0.136 0.000 0.959 186 R CB -1.359 29.007 30.300 0.110 0.000 0.856 186 R HN 0.387 nan 8.270 nan 0.000 0.437 187 D N -0.134 120.338 120.400 0.120 0.000 2.084 187 D HA -0.150 4.410 4.640 -0.134 0.000 0.199 187 D C 1.861 178.242 176.300 0.135 0.000 0.981 187 D CA 1.512 55.578 54.000 0.109 0.000 0.841 187 D CB -0.722 40.134 40.800 0.094 0.000 0.997 187 D HN 0.664 nan 8.370 nan 0.000 0.454 188 E N 0.370 120.685 120.200 0.192 0.000 2.187 188 E HA -0.190 4.080 4.350 -0.134 0.000 0.199 188 E C 2.011 178.800 176.600 0.314 0.000 1.004 188 E CA 1.541 58.111 56.400 0.283 0.000 0.813 188 E CB -0.272 29.649 29.700 0.368 0.000 0.736 188 E HN 0.283 nan 8.360 nan 0.000 0.468 189 G N -0.147 108.788 108.800 0.225 0.000 2.403 189 G HA2 -0.238 3.641 3.960 -0.134 0.000 0.216 189 G HA3 -0.238 3.641 3.960 -0.134 0.000 0.216 189 G C 1.753 176.540 174.900 -0.188 0.000 1.154 189 G CA 0.660 45.701 45.100 -0.098 0.000 0.784 189 G HN 0.096 nan 8.290 nan 0.000 0.538 190 K N 0.676 121.040 120.400 -0.061 0.000 2.097 190 K HA 0.208 4.447 4.320 -0.134 0.000 0.205 190 K C 3.040 179.611 176.600 -0.048 0.000 1.050 190 K CA 1.139 57.399 56.287 -0.044 0.000 0.938 190 K CB -0.693 31.846 32.500 0.064 0.000 0.718 190 K HN 0.473 nan 8.250 nan 0.000 0.442 191 A N 0.533 123.355 122.820 0.004 0.000 1.841 191 A HA -0.155 4.085 4.320 -0.134 0.000 0.214 191 A C 2.334 179.894 177.584 -0.039 0.000 1.195 191 A CA 2.095 54.154 52.037 0.036 0.000 0.611 191 A CB -1.235 17.825 19.000 0.100 0.000 0.835 191 A HN 0.431 nan 8.150 nan 0.000 0.443 192 S N -0.559 115.106 115.700 -0.058 0.000 2.407 192 S HA -0.189 4.201 4.470 -0.134 0.000 0.235 192 S C 2.269 176.636 174.600 -0.389 0.000 1.036 192 S CA 2.139 60.258 58.200 -0.134 0.000 1.013 192 S CB -0.457 62.712 63.200 -0.051 0.000 0.820 192 S HN 0.659 nan 8.310 nan 0.000 0.476 193 S N 0.257 115.630 115.700 -0.545 0.000 2.357 193 S HA 0.111 4.500 4.470 -0.134 0.000 0.221 193 S C 2.110 176.587 174.600 -0.205 0.000 1.031 193 S CA 1.200 59.096 58.200 -0.508 0.000 0.982 193 S CB -0.730 62.229 63.200 -0.401 0.000 0.853 193 S HN 0.696 nan 8.310 nan 0.000 0.458 194 A N 1.328 124.069 122.820 -0.133 0.000 1.877 194 A HA -0.086 4.153 4.320 -0.134 0.000 0.216 194 A C 2.127 179.632 177.584 -0.133 0.000 1.186 194 A CA 1.893 53.868 52.037 -0.104 0.000 0.620 194 A CB -0.766 18.191 19.000 -0.072 0.000 0.822 194 A HN 0.600 nan 8.150 nan 0.000 0.443 195 K N -1.086 119.244 120.400 -0.117 0.000 2.020 195 K HA -0.269 3.970 4.320 -0.134 0.000 0.212 195 K C 2.387 178.880 176.600 -0.177 0.000 1.050 195 K CA 2.016 58.228 56.287 -0.124 0.000 0.929 195 K CB -0.152 32.310 32.500 -0.064 0.000 0.714 195 K HN 0.465 nan 8.250 nan 0.000 0.443 196 Q N 0.519 120.218 119.800 -0.169 0.000 2.167 196 Q HA -0.136 4.124 4.340 -0.134 0.000 0.202 196 Q C 1.808 177.733 176.000 -0.126 0.000 0.970 196 Q CA 1.415 57.124 55.803 -0.157 0.000 0.855 196 Q CB -0.096 28.572 28.738 -0.117 0.000 0.911 196 Q HN 0.089 nan 8.270 nan 0.000 0.438 197 R N -0.371 120.049 120.500 -0.133 0.000 2.193 197 R HA -0.079 4.180 4.340 -0.134 0.000 0.229 197 R C 1.733 177.907 176.300 -0.211 0.000 1.110 197 R CA 0.951 56.944 56.100 -0.179 0.000 0.988 197 R CB -0.652 29.536 30.300 -0.186 0.000 0.871 197 R HN 0.416 nan 8.270 nan 0.000 0.458 198 L N 0.439 121.535 121.223 -0.211 0.000 2.044 198 L HA 0.017 4.276 4.340 -0.134 0.000 0.205 198 L C 1.619 178.349 176.870 -0.234 0.000 1.075 198 L CA 1.855 56.551 54.840 -0.240 0.000 0.747 198 L CB -0.487 41.386 42.059 -0.309 0.000 0.903 198 L HN 0.050 nan 8.230 nan 0.000 0.435 199 K N -1.264 118.990 120.400 -0.245 0.000 2.103 199 K HA -0.190 4.049 4.320 -0.134 0.000 0.207 199 K C 2.104 178.651 176.600 -0.088 0.000 1.048 199 K CA 1.840 58.029 56.287 -0.163 0.000 0.930 199 K CB -0.422 31.943 32.500 -0.224 0.000 0.716 199 K HN 0.445 nan 8.250 nan 0.000 0.444 200 c N -0.122 118.430 118.600 -0.081 0.000 2.450 200 c HA 0.061 4.551 4.570 -0.134 0.000 0.279 200 c C 2.761 176.830 174.090 -0.035 0.000 1.335 200 c CA 0.450 56.764 56.329 -0.026 0.000 1.749 200 c CB -0.707 41.840 42.510 0.062 0.000 1.963 200 c HN 0.530 nan 8.230 nan 0.000 0.501 201 A N 0.630 123.404 122.820 -0.077 0.000 1.898 201 A HA -0.107 4.132 4.320 -0.134 0.000 0.216 201 A C 2.247 179.910 177.584 0.133 0.000 1.181 201 A CA 2.133 54.159 52.037 -0.018 0.000 0.620 201 A CB -0.732 18.240 19.000 -0.047 0.000 0.819 201 A HN 0.523 nan 8.150 nan 0.000 0.442 202 S N 0.194 115.953 115.700 0.099 0.000 2.354 202 S HA -0.170 4.220 4.470 -0.134 0.000 0.219 202 S C 1.880 176.629 174.600 0.248 0.000 1.035 202 S CA 1.670 59.990 58.200 0.200 0.000 1.037 202 S CB -0.659 62.573 63.200 0.054 0.000 0.956 202 S HN 0.493 nan 8.310 nan 0.000 0.428 203 L N 1.371 122.672 121.223 0.129 0.000 2.013 203 L HA -0.251 4.009 4.340 -0.134 0.000 0.212 203 L C 2.839 179.748 176.870 0.066 0.000 1.073 203 L CA 1.558 56.441 54.840 0.070 0.000 0.753 203 L CB -0.638 41.383 42.059 -0.063 0.000 0.890 203 L HN 0.398 nan 8.230 nan 0.000 0.432 204 Q N -0.772 119.057 119.800 0.049 0.000 2.119 204 Q HA -0.153 4.107 4.340 -0.134 0.000 0.201 204 Q C 2.288 178.266 176.000 -0.036 0.000 0.972 204 Q CA 1.460 57.277 55.803 0.023 0.000 0.847 204 Q CB 0.063 28.819 28.738 0.030 0.000 0.903 204 Q HN 0.294 nan 8.270 nan 0.000 0.433 205 K N -0.977 119.375 120.400 -0.079 0.000 2.335 205 K HA 0.130 4.370 4.320 -0.134 0.000 0.195 205 K C 1.242 177.485 176.600 -0.595 0.000 1.058 205 K CA 0.317 56.393 56.287 -0.352 0.000 0.988 205 K CB 0.272 32.471 32.500 -0.502 0.000 0.880 205 K HN 0.225 nan 8.250 nan 0.000 0.513 206 F N 0.166 120.120 119.950 0.006 0.000 2.717 206 F HA 0.470 4.913 4.527 -0.141 0.000 0.297 206 F C 1.251 177.072 175.800 0.035 0.000 1.113 206 F CA 0.334 58.345 58.000 0.018 0.000 1.319 206 F CB 0.872 39.883 39.000 0.017 0.000 1.097 206 F HN 0.301 nan 8.300 nan 0.000 0.595 207 G N 1.263 110.157 108.800 0.156 0.000 2.612 207 G HA2 -0.180 3.699 3.960 -0.134 0.000 0.686 207 G HA3 -0.180 3.699 3.960 -0.134 0.000 0.686 207 G C 0.435 175.428 174.900 0.155 0.000 1.274 207 G CA -0.198 44.973 45.100 0.120 0.000 0.849 207 G HN 0.382 nan 8.290 nan 0.000 0.595 208 E N -0.463 119.812 120.200 0.126 0.000 2.208 208 E HA -0.042 4.227 4.350 -0.134 0.000 0.193 208 E C 2.279 179.002 176.600 0.205 0.000 0.988 208 E CA 1.243 57.740 56.400 0.162 0.000 0.828 208 E CB -0.043 29.722 29.700 0.109 0.000 0.763 208 E HN 0.642 nan 8.360 nan 0.000 0.478 209 R N 0.568 121.165 120.500 0.161 0.000 2.159 209 R HA -0.033 4.227 4.340 -0.134 0.000 0.237 209 R C 2.137 178.536 176.300 0.166 0.000 1.131 209 R CA 1.396 57.587 56.100 0.153 0.000 0.982 209 R CB -1.168 29.209 30.300 0.128 0.000 0.868 209 R HN 0.527 nan 8.270 nan 0.000 0.453 210 A N -0.648 122.283 122.820 0.185 0.000 1.854 210 A HA 0.059 4.299 4.320 -0.134 0.000 0.214 210 A C 2.079 179.768 177.584 0.176 0.000 1.192 210 A CA 1.321 53.457 52.037 0.165 0.000 0.611 210 A CB -0.787 18.326 19.000 0.188 0.000 0.832 210 A HN 0.632 nan 8.150 nan 0.000 0.442 211 F N 0.757 120.753 119.950 0.077 0.000 2.171 211 F HA -0.139 4.296 4.527 -0.153 0.000 0.300 211 F C 2.107 177.988 175.800 0.136 0.000 1.090 211 F CA 2.070 60.111 58.000 0.068 0.000 1.293 211 F CB -0.092 38.924 39.000 0.026 0.000 1.013 211 F HN 0.114 nan 8.300 nan 0.000 0.486 212 K N 0.192 120.738 120.400 0.244 0.000 2.002 212 K HA -0.159 4.080 4.320 -0.134 0.000 0.209 212 K C 2.360 178.993 176.600 0.056 0.000 1.048 212 K CA 1.319 57.700 56.287 0.155 0.000 0.930 212 K CB -0.616 31.996 32.500 0.186 0.000 0.714 212 K HN 0.339 nan 8.250 nan 0.000 0.438 213 A N 0.447 123.316 122.820 0.081 0.000 1.908 213 A HA -0.223 4.017 4.320 -0.134 0.000 0.218 213 A C 1.926 179.500 177.584 -0.017 0.000 1.181 213 A CA 1.554 53.622 52.037 0.052 0.000 0.627 213 A CB -0.997 18.044 19.000 0.068 0.000 0.818 213 A HN 0.583 nan 8.150 nan 0.000 0.445 214 W N 0.289 121.465 121.300 -0.206 0.000 2.358 214 W HA -0.126 4.478 4.660 -0.093 0.000 0.303 214 W C 2.602 178.930 176.519 -0.318 0.000 1.208 214 W CA 2.263 59.439 57.345 -0.283 0.000 1.274 214 W CB -0.174 29.058 29.460 -0.381 0.000 1.138 214 W HN 0.389 nan 8.180 nan 0.000 0.515 215 A N -0.608 122.100 122.820 -0.186 0.000 1.858 215 A HA -0.186 4.054 4.320 -0.134 0.000 0.216 215 A C 2.020 179.512 177.584 -0.154 0.000 1.190 215 A CA 2.306 54.221 52.037 -0.202 0.000 0.617 215 A CB -1.299 17.600 19.000 -0.168 0.000 0.827 215 A HN 0.106 nan 8.150 nan 0.000 0.443 216 V N 0.044 119.913 119.914 -0.075 0.000 2.282 216 V HA -0.324 3.716 4.120 -0.134 0.000 0.249 216 V C 3.075 179.128 176.094 -0.067 0.000 1.057 216 V CA 2.259 64.561 62.300 0.003 0.000 1.032 216 V CB -1.351 30.527 31.823 0.092 0.000 0.645 216 V HN 0.641 nan 8.190 nan 0.000 0.447 217 A N 0.031 122.737 122.820 -0.189 0.000 1.877 217 A HA -0.266 3.973 4.320 -0.134 0.000 0.216 217 A C 2.306 179.666 177.584 -0.373 0.000 1.186 217 A CA 2.267 54.132 52.037 -0.286 0.000 0.620 217 A CB -0.550 18.224 19.000 -0.376 0.000 0.822 217 A HN 0.481 nan 8.150 nan 0.000 0.443 218 R N 0.032 120.214 120.500 -0.529 0.000 2.070 218 R HA -0.008 4.252 4.340 -0.134 0.000 0.233 218 R C 1.975 178.041 176.300 -0.389 0.000 1.137 218 R CA 1.746 57.516 56.100 -0.550 0.000 0.945 218 R CB -0.774 29.086 30.300 -0.733 0.000 0.845 218 R HN 0.500 nan 8.270 nan 0.000 0.430 219 L N -0.125 120.918 121.223 -0.299 0.000 2.083 219 L HA -0.141 4.119 4.340 -0.134 0.000 0.209 219 L C 2.290 179.024 176.870 -0.226 0.000 1.083 219 L CA 1.591 56.260 54.840 -0.285 0.000 0.752 219 L CB -0.482 41.543 42.059 -0.057 0.000 0.899 219 L HN 0.234 nan 8.230 nan 0.000 0.433 220 S N -0.750 114.895 115.700 -0.091 0.000 2.419 220 S HA -0.194 4.196 4.470 -0.134 0.000 0.233 220 S C 1.926 176.430 174.600 -0.160 0.000 1.016 220 S CA 1.081 59.267 58.200 -0.023 0.000 0.974 220 S CB -0.105 63.089 63.200 -0.009 0.000 0.786 220 S HN 0.460 nan 8.310 nan 0.000 0.492 221 Q N 0.435 120.092 119.800 -0.239 0.000 2.083 221 Q HA 0.044 4.304 4.340 -0.134 0.000 0.198 221 Q C 2.457 178.303 176.000 -0.256 0.000 0.969 221 Q CA 0.853 56.509 55.803 -0.245 0.000 0.838 221 Q CB -0.087 28.493 28.738 -0.264 0.000 0.900 221 Q HN 0.402 nan 8.270 nan 0.000 0.436 222 R N -0.250 120.010 120.500 -0.399 0.000 2.075 222 R HA -0.058 4.201 4.340 -0.134 0.000 0.232 222 R C 0.061 176.146 176.300 -0.359 0.000 1.126 222 R CA 0.831 56.610 56.100 -0.536 0.000 0.963 222 R CB 0.215 29.902 30.300 -1.022 0.000 0.858 222 R HN 0.081 nan 8.270 nan 0.000 0.435 223 F N 0.026 119.961 119.950 -0.024 0.000 2.334 223 F HA 0.354 4.803 4.527 -0.131 0.000 0.343 223 F C -1.919 173.888 175.800 0.012 0.000 1.136 223 F CA -3.285 54.717 58.000 0.002 0.000 1.237 223 F CB 1.052 40.071 39.000 0.031 0.000 1.525 223 F HN -0.162 nan 8.300 nan 0.000 0.528 224 P HA -0.180 nan 4.420 nan 0.000 0.215 224 P C 1.933 179.279 177.300 0.076 0.000 1.153 224 P CA 2.262 65.372 63.100 0.016 0.000 0.853 224 P CB 0.329 32.003 31.700 -0.043 0.000 0.788 225 K N -0.039 120.421 120.400 0.100 0.000 2.148 225 K HA 0.144 4.383 4.320 -0.134 0.000 0.204 225 K C 1.367 178.050 176.600 0.138 0.000 1.050 225 K CA 1.171 57.514 56.287 0.092 0.000 0.942 225 K CB -1.632 30.903 32.500 0.058 0.000 0.724 225 K HN 0.317 nan 8.250 nan 0.000 0.446 226 A N 1.271 124.202 122.820 0.184 0.000 2.565 226 A HA 0.452 4.692 4.320 -0.134 0.000 0.237 226 A C 0.623 178.360 177.584 0.255 0.000 1.053 226 A CA 0.460 52.611 52.037 0.189 0.000 0.755 226 A CB -0.726 18.422 19.000 0.246 0.000 0.980 226 A HN 0.856 nan 8.150 nan 0.000 0.506 227 E N 1.384 121.674 120.200 0.149 0.000 2.343 227 E HA 0.437 4.706 4.350 -0.134 0.000 0.269 227 E C 0.534 177.105 176.600 -0.048 0.000 1.047 227 E CA -0.130 56.341 56.400 0.119 0.000 0.874 227 E CB 0.177 29.923 29.700 0.078 0.000 1.033 227 E HN 1.000 nan 8.360 nan 0.000 0.409 228 F N 1.964 121.597 119.950 -0.529 0.000 2.063 228 F HA -0.245 4.201 4.527 -0.135 0.000 0.298 228 F C 2.516 178.140 175.800 -0.295 0.000 1.105 228 F CA 3.091 60.620 58.000 -0.785 0.000 1.215 228 F CB -0.736 37.834 39.000 -0.716 0.000 0.972 228 F HN 0.578 nan 8.300 nan 0.000 0.483 229 A N -0.909 121.765 122.820 -0.243 0.000 2.084 229 A HA -0.239 4.000 4.320 -0.134 0.000 0.221 229 A C 2.045 179.508 177.584 -0.202 0.000 1.161 229 A CA 1.948 53.834 52.037 -0.252 0.000 0.653 229 A CB -0.801 18.160 19.000 -0.065 0.000 0.802 229 A HN 0.535 nan 8.150 nan 0.000 0.457 230 E N -0.289 119.835 120.200 -0.126 0.000 2.042 230 E HA -0.046 4.223 4.350 -0.134 0.000 0.189 230 E C 1.907 178.480 176.600 -0.045 0.000 0.974 230 E CA 1.254 57.633 56.400 -0.036 0.000 0.806 230 E CB -0.480 29.234 29.700 0.023 0.000 0.769 230 E HN 0.190 nan 8.360 nan 0.000 0.451 231 V N 0.752 120.631 119.914 -0.059 0.000 2.231 231 V HA -0.351 3.688 4.120 -0.134 0.000 0.250 231 V C 2.359 178.395 176.094 -0.097 0.000 1.058 231 V CA 2.216 64.514 62.300 -0.003 0.000 1.022 231 V CB -0.994 30.852 31.823 0.039 0.000 0.640 231 V HN 0.257 nan 8.190 nan 0.000 0.445 232 S N -0.612 114.897 115.700 -0.319 0.000 2.372 232 S HA -0.321 4.068 4.470 -0.134 0.000 0.227 232 S C 2.079 176.591 174.600 -0.147 0.000 1.044 232 S CA 1.986 59.997 58.200 -0.315 0.000 1.050 232 S CB -0.444 62.426 63.200 -0.551 0.000 0.901 232 S HN 0.506 nan 8.310 nan 0.000 0.447 233 K N 1.300 121.620 120.400 -0.133 0.000 2.063 233 K HA -0.043 4.196 4.320 -0.134 0.000 0.208 233 K C 2.010 178.575 176.600 -0.057 0.000 1.048 233 K CA 1.246 57.475 56.287 -0.098 0.000 0.928 233 K CB -0.557 31.884 32.500 -0.099 0.000 0.713 233 K HN 0.389 nan 8.250 nan 0.000 0.442 234 L N 0.421 121.648 121.223 0.006 0.000 2.027 234 L HA -0.161 4.098 4.340 -0.134 0.000 0.206 234 L C 2.562 179.488 176.870 0.092 0.000 1.074 234 L CA 0.796 55.682 54.840 0.077 0.000 0.745 234 L CB -0.557 41.600 42.059 0.163 0.000 0.898 234 L HN -0.091 nan 8.230 nan 0.000 0.433 235 V N -0.067 119.891 119.914 0.074 0.000 2.332 235 V HA -0.294 3.745 4.120 -0.134 0.000 0.248 235 V C 2.613 178.783 176.094 0.127 0.000 1.055 235 V CA 2.438 64.802 62.300 0.105 0.000 1.038 235 V CB -0.916 30.944 31.823 0.062 0.000 0.651 235 V HN 0.536 nan 8.190 nan 0.000 0.450 236 T N -0.503 114.089 114.554 0.062 0.000 2.674 236 T HA -0.208 4.061 4.350 -0.134 0.000 0.265 236 T C 1.635 176.374 174.700 0.065 0.000 1.039 236 T CA 1.730 63.864 62.100 0.057 0.000 1.150 236 T CB -0.406 68.465 68.868 0.005 0.000 0.864 236 T HN 0.446 nan 8.240 nan 0.000 0.427 237 D N 1.035 121.458 120.400 0.038 0.000 2.078 237 D HA -0.035 4.524 4.640 -0.134 0.000 0.193 237 D C 2.115 178.475 176.300 0.101 0.000 0.990 237 D CA 0.534 54.555 54.000 0.035 0.000 0.827 237 D CB -0.725 40.070 40.800 -0.008 0.000 0.975 237 D HN 0.087 nan 8.370 nan 0.000 0.451 238 L N 1.141 122.461 121.223 0.161 0.000 2.034 238 L HA -0.248 4.012 4.340 -0.134 0.000 0.217 238 L C 2.200 179.271 176.870 0.335 0.000 1.077 238 L CA 1.959 56.963 54.840 0.273 0.000 0.769 238 L CB -1.224 41.031 42.059 0.326 0.000 0.890 238 L HN 0.028 nan 8.230 nan 0.000 0.435 239 T N -0.349 114.404 114.554 0.332 0.000 2.607 239 T HA -0.317 3.952 4.350 -0.134 0.000 0.267 239 T C 1.859 176.573 174.700 0.024 0.000 1.049 239 T CA 2.037 64.264 62.100 0.212 0.000 1.162 239 T CB -0.322 68.685 68.868 0.232 0.000 0.863 239 T HN 0.399 nan 8.240 nan 0.000 0.424 240 K N 0.673 121.102 120.400 0.047 0.000 2.034 240 K HA -0.168 4.071 4.320 -0.134 0.000 0.214 240 K C 2.231 178.832 176.600 0.002 0.000 1.051 240 K CA 1.666 57.959 56.287 0.010 0.000 0.931 240 K CB -0.553 31.955 32.500 0.013 0.000 0.715 240 K HN 0.167 nan 8.250 nan 0.000 0.446 241 V N 1.361 121.289 119.914 0.023 0.000 2.231 241 V HA -0.321 3.718 4.120 -0.134 0.000 0.250 241 V C 2.439 178.503 176.094 -0.050 0.000 1.058 241 V CA 2.237 64.531 62.300 -0.011 0.000 1.022 241 V CB -0.790 31.031 31.823 -0.003 0.000 0.640 241 V HN 0.481 nan 8.190 nan 0.000 0.445 242 H N -0.130 118.935 119.070 -0.007 0.000 2.423 242 H HA -0.084 4.391 4.556 -0.136 0.000 0.297 242 H C 2.449 177.688 175.328 -0.147 0.000 1.075 242 H CA 1.870 57.858 56.048 -0.101 0.000 1.342 242 H CB -0.301 29.264 29.762 -0.328 0.000 1.395 242 H HN 0.478 nan 8.280 nan 0.000 0.530 243 T N 0.758 115.272 114.554 -0.066 0.000 2.788 243 T HA -0.112 4.158 4.350 -0.134 0.000 0.268 243 T C 1.829 176.538 174.700 0.014 0.000 1.044 243 T CA 1.256 63.319 62.100 -0.060 0.000 1.139 243 T CB 0.009 68.836 68.868 -0.068 0.000 0.867 243 T HN 0.542 nan 8.240 nan 0.000 0.454 244 E N 0.265 120.473 120.200 0.013 0.000 2.046 244 E HA -0.052 4.218 4.350 -0.134 0.000 0.190 244 E C 2.464 179.095 176.600 0.051 0.000 0.982 244 E CA 0.842 57.263 56.400 0.034 0.000 0.800 244 E CB -0.385 29.312 29.700 -0.005 0.000 0.756 244 E HN 0.367 nan 8.360 nan 0.000 0.449 245 c N 0.687 119.313 118.600 0.043 0.000 2.411 245 c HA -0.154 4.336 4.570 -0.134 0.000 0.279 245 c C 2.822 176.955 174.090 0.072 0.000 1.288 245 c CA 0.493 56.859 56.329 0.062 0.000 1.764 245 c CB -0.825 41.785 42.510 0.167 0.000 1.974 245 c HN 0.608 nan 8.230 nan 0.000 0.498 246 c N -2.174 116.487 118.600 0.102 0.000 2.485 246 c HA -0.031 4.459 4.570 -0.134 0.000 0.278 246 c C 2.407 176.559 174.090 0.102 0.000 1.356 246 c CA 0.915 57.318 56.329 0.124 0.000 1.747 246 c CB -1.697 40.892 42.510 0.133 0.000 2.001 246 c HN 0.755 nan 8.230 nan 0.000 0.501 247 H N 0.336 119.422 119.070 0.025 0.000 2.555 247 H HA 0.201 4.675 4.556 -0.136 0.000 0.269 247 H C 1.669 177.017 175.328 0.034 0.000 0.988 247 H CA 1.205 57.279 56.048 0.043 0.000 1.178 247 H CB -0.266 29.530 29.762 0.057 0.000 1.373 247 H HN 0.461 nan 8.280 nan 0.000 0.588 248 G N 0.299 109.076 108.800 -0.038 0.000 2.144 248 G HA2 -0.216 3.664 3.960 -0.134 0.000 0.218 248 G HA3 -0.216 3.664 3.960 -0.134 0.000 0.218 248 G C -0.278 174.543 174.900 -0.132 0.000 0.988 248 G CA 0.176 45.169 45.100 -0.178 0.000 0.659 248 G HN 0.503 nan 8.290 nan 0.000 0.522 249 D N 1.165 121.549 120.400 -0.027 0.000 2.896 249 D HA 0.464 5.024 4.640 -0.134 0.000 0.240 249 D C 2.367 178.590 176.300 -0.129 0.000 1.193 249 D CA 0.516 54.463 54.000 -0.087 0.000 0.983 249 D CB -0.134 40.659 40.800 -0.012 0.000 1.074 249 D HN 0.686 nan 8.370 nan 0.000 0.496 250 L N 0.455 121.565 121.223 -0.188 0.000 1.997 250 L HA -0.243 4.017 4.340 -0.134 0.000 0.216 250 L C 2.595 179.379 176.870 -0.144 0.000 1.074 250 L CA 1.733 56.473 54.840 -0.166 0.000 0.763 250 L CB -1.764 40.175 42.059 -0.201 0.000 0.890 250 L HN 0.338 nan 8.230 nan 0.000 0.434 251 L N -0.089 121.038 121.223 -0.159 0.000 1.990 251 L HA -0.269 3.990 4.340 -0.134 0.000 0.213 251 L C 3.122 179.943 176.870 -0.081 0.000 1.072 251 L CA 1.977 56.754 54.840 -0.105 0.000 0.755 251 L CB -0.858 41.159 42.059 -0.070 0.000 0.889 251 L HN 0.755 nan 8.230 nan 0.000 0.432 252 E N -0.329 119.816 120.200 -0.092 0.000 2.150 252 E HA -0.243 4.026 4.350 -0.134 0.000 0.193 252 E C 2.350 178.909 176.600 -0.069 0.000 0.985 252 E CA 1.516 57.864 56.400 -0.086 0.000 0.814 252 E CB -1.170 28.477 29.700 -0.088 0.000 0.752 252 E HN 0.584 nan 8.360 nan 0.000 0.466 253 c N 1.718 120.275 118.600 -0.071 0.000 2.432 253 c HA 0.062 4.551 4.570 -0.134 0.000 0.277 253 c C 3.068 177.112 174.090 -0.077 0.000 1.249 253 c CA 1.550 57.841 56.329 -0.064 0.000 1.725 253 c CB -1.083 41.389 42.510 -0.063 0.000 2.028 253 c HN 0.546 nan 8.230 nan 0.000 0.477 254 A N -0.294 122.471 122.820 -0.091 0.000 1.933 254 A HA -0.156 4.083 4.320 -0.134 0.000 0.218 254 A C 2.062 179.619 177.584 -0.045 0.000 1.175 254 A CA 2.135 54.121 52.037 -0.085 0.000 0.628 254 A CB -0.788 18.165 19.000 -0.079 0.000 0.814 254 A HN 0.714 nan 8.150 nan 0.000 0.444 255 D N 0.151 120.528 120.400 -0.039 0.000 2.075 255 D HA -0.142 4.417 4.640 -0.134 0.000 0.196 255 D C 1.324 177.618 176.300 -0.010 0.000 0.985 255 D CA 1.400 55.387 54.000 -0.022 0.000 0.834 255 D CB -0.317 40.453 40.800 -0.050 0.000 0.987 255 D HN 0.369 nan 8.370 nan 0.000 0.452 256 D N 0.308 120.696 120.400 -0.020 0.000 2.158 256 D HA -0.187 4.373 4.640 -0.134 0.000 0.197 256 D C 2.120 178.429 176.300 0.015 0.000 0.995 256 D CA 0.572 54.570 54.000 -0.003 0.000 0.846 256 D CB -0.147 40.647 40.800 -0.010 0.000 0.941 256 D HN 0.244 nan 8.370 nan 0.000 0.456 257 R N 0.697 121.200 120.500 0.006 0.000 2.096 257 R HA -0.091 4.169 4.340 -0.134 0.000 0.235 257 R C 2.184 178.509 176.300 0.041 0.000 1.127 257 R CA 1.222 57.338 56.100 0.027 0.000 0.968 257 R CB -0.096 30.198 30.300 -0.010 0.000 0.861 257 R HN 0.093 nan 8.270 nan 0.000 0.440 258 A N 1.371 124.208 122.820 0.028 0.000 1.877 258 A HA -0.182 4.057 4.320 -0.134 0.000 0.216 258 A C 1.662 179.280 177.584 0.057 0.000 1.186 258 A CA 1.821 53.882 52.037 0.040 0.000 0.620 258 A CB -0.524 18.496 19.000 0.033 0.000 0.822 258 A HN 0.326 nan 8.150 nan 0.000 0.443 259 D N -0.355 120.078 120.400 0.055 0.000 2.123 259 D HA -0.154 4.406 4.640 -0.134 0.000 0.196 259 D C 1.790 178.150 176.300 0.100 0.000 0.992 259 D CA 1.356 55.398 54.000 0.070 0.000 0.833 259 D CB -0.449 40.382 40.800 0.052 0.000 0.954 259 D HN 0.338 nan 8.370 nan 0.000 0.455 260 L N 0.755 122.032 121.223 0.090 0.000 2.131 260 L HA -0.041 4.219 4.340 -0.134 0.000 0.210 260 L C 2.064 179.027 176.870 0.155 0.000 1.092 260 L CA 1.449 56.363 54.840 0.124 0.000 0.759 260 L CB -0.698 41.426 42.059 0.108 0.000 0.903 260 L HN -0.039 nan 8.230 nan 0.000 0.435 261 A N -0.732 122.156 122.820 0.112 0.000 1.897 261 A HA -0.212 4.028 4.320 -0.134 0.000 0.215 261 A C 2.437 180.070 177.584 0.081 0.000 1.181 261 A CA 1.675 53.767 52.037 0.092 0.000 0.620 261 A CB -0.534 18.507 19.000 0.070 0.000 0.821 261 A HN 0.462 nan 8.150 nan 0.000 0.443 262 K N -1.542 118.911 120.400 0.089 0.000 2.009 262 K HA -0.234 4.006 4.320 -0.134 0.000 0.210 262 K C 1.954 178.601 176.600 0.079 0.000 1.049 262 K CA 1.966 58.297 56.287 0.074 0.000 0.929 262 K CB -0.464 32.086 32.500 0.082 0.000 0.714 262 K HN 0.490 nan 8.250 nan 0.000 0.440 263 Y N 1.692 121.998 120.300 0.010 0.000 2.053 263 Y HA -0.245 4.224 4.550 -0.135 0.000 0.277 263 Y C 1.907 177.798 175.900 -0.016 0.000 1.159 263 Y CA 2.063 60.163 58.100 0.000 0.000 1.125 263 Y CB -0.353 38.111 38.460 0.007 0.000 0.969 263 Y HN 0.060 nan 8.280 nan 0.000 0.492 264 I N -0.908 119.684 120.570 0.037 0.000 2.399 264 I HA -0.411 3.678 4.170 -0.134 0.000 0.254 264 I C 2.312 178.333 176.117 -0.161 0.000 1.146 264 I CA 1.278 62.528 61.300 -0.084 0.000 1.412 264 I CB -0.654 37.365 38.000 0.032 0.000 1.076 264 I HN 0.397 nan 8.210 nan 0.000 0.432 265 c N 0.057 118.593 118.600 -0.106 0.000 2.485 265 c HA -0.031 4.458 4.570 -0.134 0.000 0.278 265 c C 2.640 176.653 174.090 -0.129 0.000 1.356 265 c CA 0.199 56.471 56.329 -0.094 0.000 1.747 265 c CB -0.636 41.850 42.510 -0.040 0.000 2.001 265 c HN 0.466 nan 8.230 nan 0.000 0.501 266 E N 1.318 121.416 120.200 -0.171 0.000 2.028 266 E HA -0.128 4.142 4.350 -0.134 0.000 0.191 266 E C 0.549 177.015 176.600 -0.223 0.000 0.988 266 E CA 1.054 57.349 56.400 -0.174 0.000 0.799 266 E CB -0.098 29.496 29.700 -0.176 0.000 0.755 266 E HN 0.655 nan 8.360 nan 0.000 0.447 267 N N 1.027 119.506 118.700 -0.368 0.000 2.466 267 N HA 0.012 4.671 4.740 -0.134 0.000 0.251 267 N C 0.639 175.997 175.510 -0.253 0.000 1.164 267 N CA -0.048 52.805 53.050 -0.327 0.000 0.888 267 N CB 0.354 38.555 38.487 -0.478 0.000 1.177 267 N HN 0.149 nan 8.380 nan 0.000 0.498 268 Q N 0.735 120.415 119.800 -0.200 0.000 2.029 268 Q HA -0.229 4.031 4.340 -0.134 0.000 0.209 268 Q C 0.638 176.550 176.000 -0.147 0.000 0.999 268 Q CA 1.620 57.322 55.803 -0.168 0.000 0.857 268 Q CB 0.036 28.704 28.738 -0.116 0.000 0.926 268 Q HN 0.519 nan 8.270 nan 0.000 0.415 269 D N -0.497 119.837 120.400 -0.110 0.000 2.271 269 D HA -0.112 4.447 4.640 -0.134 0.000 0.207 269 D C 1.647 177.900 176.300 -0.080 0.000 0.983 269 D CA 1.097 55.049 54.000 -0.080 0.000 0.878 269 D CB -0.043 40.721 40.800 -0.060 0.000 0.920 269 D HN 0.149 nan 8.370 nan 0.000 0.479 270 S N -0.383 115.255 115.700 -0.103 0.000 2.501 270 S HA 0.118 4.507 4.470 -0.134 0.000 0.220 270 S C 1.940 176.481 174.600 -0.099 0.000 0.997 270 S CA 0.026 58.177 58.200 -0.082 0.000 0.919 270 S CB 0.647 63.799 63.200 -0.081 0.000 0.778 270 S HN 0.240 nan 8.310 nan 0.000 0.523 271 I N -0.820 119.641 120.570 -0.182 0.000 3.904 271 I HA 0.211 4.301 4.170 -0.134 0.000 0.235 271 I C 0.831 176.768 176.117 -0.299 0.000 1.062 271 I CA 0.139 61.254 61.300 -0.309 0.000 1.574 271 I CB 0.200 37.872 38.000 -0.547 0.000 1.503 271 I HN 0.075 nan 8.210 nan 0.000 0.463 272 S N -0.634 114.870 115.700 -0.327 0.000 2.595 272 S HA 0.329 4.718 4.470 -0.134 0.000 0.281 272 S C 0.403 174.962 174.600 -0.069 0.000 1.117 272 S CA -0.229 57.899 58.200 -0.121 0.000 0.873 272 S CB 1.631 64.810 63.200 -0.034 0.000 1.108 272 S HN 0.296 nan 8.310 nan 0.000 0.477 273 S N 1.736 117.431 115.700 -0.009 0.000 2.556 273 S HA 0.248 4.637 4.470 -0.134 0.000 0.216 273 S C 0.537 175.137 174.600 0.000 0.000 0.970 273 S CA -0.237 57.956 58.200 -0.012 0.000 0.912 273 S CB -0.198 62.999 63.200 -0.004 0.000 0.790 273 S HN 0.665 nan 8.310 nan 0.000 0.504 274 K N 0.896 121.310 120.400 0.022 0.000 2.437 274 K HA 0.376 4.615 4.320 -0.134 0.000 0.205 274 K C 1.426 178.043 176.600 0.029 0.000 1.026 274 K CA 0.487 56.791 56.287 0.029 0.000 1.153 274 K CB 0.353 32.881 32.500 0.047 0.000 0.863 274 K HN 0.432 nan 8.250 nan 0.000 0.502 275 L N 0.529 121.754 121.223 0.005 0.000 2.416 275 L HA 0.097 4.357 4.340 -0.134 0.000 0.216 275 L C 2.635 179.498 176.870 -0.011 0.000 1.098 275 L CA 1.718 56.554 54.840 -0.007 0.000 0.840 275 L CB -1.577 40.446 42.059 -0.060 0.000 0.981 275 L HN 0.283 nan 8.230 nan 0.000 0.462 276 K N 0.470 120.862 120.400 -0.014 0.000 1.990 276 K HA -0.309 3.931 4.320 -0.134 0.000 0.225 276 K C 2.331 178.930 176.600 -0.001 0.000 1.053 276 K CA 3.599 59.879 56.287 -0.011 0.000 0.982 276 K CB -1.770 30.725 32.500 -0.009 0.000 0.734 276 K HN 1.153 nan 8.250 nan 0.000 0.448 277 E N -0.236 119.968 120.200 0.006 0.000 2.233 277 E HA -0.199 4.070 4.350 -0.134 0.000 0.199 277 E C 2.279 178.889 176.600 0.017 0.000 1.004 277 E CA 1.803 58.211 56.400 0.013 0.000 0.819 277 E CB -1.528 28.182 29.700 0.016 0.000 0.738 277 E HN 0.730 nan 8.360 nan 0.000 0.478 278 c N -0.907 117.701 118.600 0.014 0.000 2.475 278 c HA 0.002 4.492 4.570 -0.134 0.000 0.279 278 c C 2.713 176.812 174.090 0.016 0.000 1.322 278 c CA 0.633 56.972 56.329 0.016 0.000 1.734 278 c CB -0.727 41.792 42.510 0.015 0.000 2.005 278 c HN 0.827 nan 8.230 nan 0.000 0.495 279 c N 0.978 119.582 118.600 0.006 0.000 2.539 279 c HA 0.031 4.520 4.570 -0.134 0.000 0.271 279 c C 1.738 175.834 174.090 0.009 0.000 1.412 279 c CA 0.466 56.797 56.329 0.004 0.000 1.729 279 c CB -1.495 41.008 42.510 -0.013 0.000 1.739 279 c HN 0.569 nan 8.230 nan 0.000 0.570 280 E N 1.563 121.771 120.200 0.014 0.000 2.419 280 E HA 0.088 4.358 4.350 -0.134 0.000 0.190 280 E C 0.402 177.017 176.600 0.026 0.000 1.040 280 E CA 0.249 56.659 56.400 0.017 0.000 0.900 280 E CB 0.072 29.780 29.700 0.014 0.000 1.054 280 E HN 0.795 nan 8.360 nan 0.000 0.462 281 K N -0.792 119.627 120.400 0.032 0.000 2.469 281 K HA 0.602 4.841 4.320 -0.134 0.000 0.268 281 K C -3.007 173.623 176.600 0.050 0.000 1.027 281 K CA -2.311 54.002 56.287 0.043 0.000 0.893 281 K CB 0.329 32.861 32.500 0.053 0.000 1.460 281 K HN -0.344 nan 8.250 nan 0.000 0.449 282 P HA -0.127 nan 4.420 nan 0.000 0.261 282 P C 0.761 178.106 177.300 0.075 0.000 1.173 282 P CA -0.228 62.913 63.100 0.068 0.000 0.760 282 P CB 0.265 32.012 31.700 0.078 0.000 0.783 283 L N 5.864 127.126 121.223 0.065 0.000 2.054 283 L HA -0.302 3.957 4.340 -0.134 0.000 0.240 283 L C 1.794 178.710 176.870 0.076 0.000 1.107 283 L CA 2.141 57.019 54.840 0.063 0.000 0.833 283 L CB -1.570 40.524 42.059 0.058 0.000 0.929 283 L HN 0.384 nan 8.230 nan 0.000 0.447 284 L N -1.088 120.198 121.223 0.104 0.000 2.089 284 L HA -0.278 3.982 4.340 -0.134 0.000 0.213 284 L C 2.599 179.558 176.870 0.149 0.000 1.079 284 L CA 2.115 57.046 54.840 0.152 0.000 0.758 284 L CB -0.866 41.327 42.059 0.224 0.000 0.891 284 L HN 0.479 nan 8.230 nan 0.000 0.433 285 E N -0.205 120.099 120.200 0.172 0.000 2.107 285 E HA -0.183 4.087 4.350 -0.134 0.000 0.191 285 E C 2.094 178.717 176.600 0.037 0.000 0.982 285 E CA 0.787 57.274 56.400 0.145 0.000 0.809 285 E CB -0.026 29.794 29.700 0.199 0.000 0.756 285 E HN 0.299 nan 8.360 nan 0.000 0.459 286 K N 0.201 120.629 120.400 0.047 0.000 2.057 286 K HA -0.098 4.142 4.320 -0.134 0.000 0.207 286 K C 2.088 178.694 176.600 0.011 0.000 1.049 286 K CA 1.519 57.823 56.287 0.029 0.000 0.931 286 K CB -0.063 32.459 32.500 0.037 0.000 0.714 286 K HN -0.038 nan 8.250 nan 0.000 0.440 287 S N -0.241 115.465 115.700 0.012 0.000 2.348 287 S HA -0.189 4.200 4.470 -0.134 0.000 0.221 287 S C 1.769 176.351 174.600 -0.030 0.000 1.033 287 S CA 1.596 59.805 58.200 0.015 0.000 1.010 287 S CB -0.508 62.709 63.200 0.029 0.000 0.891 287 S HN 0.553 nan 8.310 nan 0.000 0.442 288 H N -0.224 118.688 119.070 -0.262 0.000 2.489 288 H HA -0.032 4.440 4.556 -0.141 0.000 0.293 288 H C 2.241 177.421 175.328 -0.246 0.000 1.066 288 H CA 1.404 57.199 56.048 -0.422 0.000 1.305 288 H CB -0.494 28.523 29.762 -1.240 0.000 1.386 288 H HN 0.431 nan 8.280 nan 0.000 0.551 289 c N -0.559 117.933 118.600 -0.180 0.000 2.543 289 c HA 0.021 4.511 4.570 -0.134 0.000 0.281 289 c C 2.705 176.742 174.090 -0.088 0.000 1.276 289 c CA 0.663 56.917 56.329 -0.125 0.000 1.700 289 c CB -1.167 41.329 42.510 -0.024 0.000 2.093 289 c HN 0.680 nan 8.230 nan 0.000 0.488 290 I N 1.821 122.378 120.570 -0.023 0.000 2.264 290 I HA -0.178 3.912 4.170 -0.134 0.000 0.248 290 I C 2.815 178.960 176.117 0.047 0.000 1.111 290 I CA 1.624 62.952 61.300 0.045 0.000 1.382 290 I CB -0.642 37.407 38.000 0.081 0.000 1.060 290 I HN 0.448 nan 8.210 nan 0.000 0.418 291 A N 0.163 122.981 122.820 -0.004 0.000 2.024 291 A HA -0.159 4.080 4.320 -0.134 0.000 0.220 291 A C 1.796 179.344 177.584 -0.060 0.000 1.164 291 A CA 1.489 53.528 52.037 0.003 0.000 0.643 291 A CB -0.271 18.736 19.000 0.013 0.000 0.806 291 A HN 0.477 nan 8.150 nan 0.000 0.451 292 E N -0.529 119.589 120.200 -0.138 0.000 2.651 292 E HA 0.201 4.471 4.350 -0.134 0.000 0.208 292 E C -0.447 176.103 176.600 -0.083 0.000 0.997 292 E CA -0.269 56.051 56.400 -0.133 0.000 1.020 292 E CB 0.412 29.975 29.700 -0.228 0.000 1.052 292 E HN 0.262 nan 8.360 nan 0.000 0.465 293 V N 2.741 122.632 119.914 -0.040 0.000 2.811 293 V HA -0.017 4.023 4.120 -0.134 0.000 0.302 293 V C 0.453 176.533 176.094 -0.024 0.000 1.063 293 V CA -0.149 62.150 62.300 -0.002 0.000 1.088 293 V CB 0.736 32.607 31.823 0.080 0.000 0.982 293 V HN 0.287 nan 8.190 nan 0.000 0.485 294 E N 5.765 125.955 120.200 -0.016 0.000 2.392 294 E HA 0.170 4.439 4.350 -0.134 0.000 0.259 294 E C -0.472 176.107 176.600 -0.035 0.000 1.108 294 E CA -0.684 55.694 56.400 -0.037 0.000 0.916 294 E CB 0.284 29.969 29.700 -0.026 0.000 0.989 294 E HN 0.713 nan 8.360 nan 0.000 0.432 295 N N 2.204 120.860 118.700 -0.073 0.000 2.492 295 N HA -0.018 4.641 4.740 -0.134 0.000 0.260 295 N C -0.277 175.225 175.510 -0.013 0.000 1.215 295 N CA -0.006 52.998 53.050 -0.077 0.000 0.923 295 N CB 0.375 38.793 38.487 -0.115 0.000 1.092 295 N HN 0.568 nan 8.380 nan 0.000 0.448 296 D N 0.590 121.014 120.400 0.040 0.000 2.360 296 D HA 0.150 4.710 4.640 -0.134 0.000 0.242 296 D C 0.147 176.451 176.300 0.006 0.000 1.184 296 D CA -0.033 53.998 54.000 0.053 0.000 0.930 296 D CB 0.555 41.420 40.800 0.109 0.000 1.161 296 D HN 0.565 nan 8.370 nan 0.000 0.447 297 E N 1.283 121.482 120.200 -0.001 0.000 2.418 297 E HA 0.109 4.379 4.350 -0.134 0.000 0.261 297 E C 0.276 176.858 176.600 -0.030 0.000 1.070 297 E CA -0.076 56.311 56.400 -0.021 0.000 0.931 297 E CB 0.143 29.832 29.700 -0.018 0.000 0.954 297 E HN 0.559 nan 8.360 nan 0.000 0.439 298 M N 2.066 121.634 119.600 -0.053 0.000 2.200 298 M HA 0.257 4.656 4.480 -0.134 0.000 0.355 298 M C -2.105 174.161 176.300 -0.055 0.000 1.283 298 M CA -1.466 53.792 55.300 -0.071 0.000 1.124 298 M CB 0.921 33.457 32.600 -0.107 0.000 1.625 298 M HN 0.341 nan 8.290 nan 0.000 0.463 299 P HA 0.006 nan 4.420 nan 0.000 0.261 299 P C -0.295 176.980 177.300 -0.042 0.000 1.183 299 P CA 0.025 63.106 63.100 -0.032 0.000 0.761 299 P CB 0.575 32.262 31.700 -0.023 0.000 0.785 300 A N 3.853 126.654 122.820 -0.031 0.000 2.365 300 A HA -0.104 4.135 4.320 -0.134 0.000 0.201 300 A C 1.279 178.841 177.584 -0.037 0.000 1.169 300 A CA 1.960 53.978 52.037 -0.033 0.000 0.869 300 A CB -1.874 17.113 19.000 -0.022 0.000 0.810 300 A HN 0.596 nan 8.150 nan 0.000 0.540 301 D N -0.271 120.113 120.400 -0.027 0.000 2.359 301 D HA 0.527 5.086 4.640 -0.134 0.000 0.250 301 D C -0.458 175.826 176.300 -0.027 0.000 1.264 301 D CA 0.043 54.027 54.000 -0.026 0.000 0.911 301 D CB -0.370 40.420 40.800 -0.017 0.000 1.056 301 D HN 0.401 nan 8.370 nan 0.000 0.499 302 L N 2.884 124.083 121.223 -0.040 0.000 2.341 302 L HA 0.527 4.786 4.340 -0.134 0.000 0.278 302 L C -1.403 175.444 176.870 -0.038 0.000 1.005 302 L CA -1.520 53.295 54.840 -0.042 0.000 0.818 302 L CB 2.252 44.267 42.059 -0.073 0.000 1.259 302 L HN 0.515 nan 8.230 nan 0.000 0.418 303 P HA 0.063 nan 4.420 nan 0.000 0.272 303 P C -0.551 176.738 177.300 -0.018 0.000 1.254 303 P CA -0.406 62.686 63.100 -0.012 0.000 0.795 303 P CB 0.834 32.537 31.700 0.004 0.000 1.022 304 S N -0.880 114.815 115.700 -0.009 0.000 2.554 304 S HA 0.196 4.585 4.470 -0.134 0.000 0.278 304 S C 1.475 176.099 174.600 0.040 0.000 1.242 304 S CA -0.743 57.452 58.200 -0.008 0.000 1.051 304 S CB 0.033 63.220 63.200 -0.021 0.000 0.986 304 S HN 0.386 nan 8.310 nan 0.000 0.502 305 L N 4.058 125.323 121.223 0.070 0.000 2.079 305 L HA -0.101 4.159 4.340 -0.134 0.000 0.210 305 L C 2.808 179.842 176.870 0.275 0.000 1.081 305 L CA 1.637 56.620 54.840 0.239 0.000 0.752 305 L CB -0.709 41.489 42.059 0.231 0.000 0.896 305 L HN 0.882 nan 8.230 nan 0.000 0.433 306 A N -0.015 122.811 122.820 0.010 0.000 1.986 306 A HA -0.272 3.968 4.320 -0.134 0.000 0.220 306 A C 2.514 180.116 177.584 0.029 0.000 1.171 306 A CA 1.844 53.806 52.037 -0.126 0.000 0.640 306 A CB -0.754 18.071 19.000 -0.292 0.000 0.811 306 A HN 0.448 nan 8.150 nan 0.000 0.451 307 A N 0.351 123.193 122.820 0.036 0.000 1.852 307 A HA -0.258 3.981 4.320 -0.134 0.000 0.217 307 A C 1.653 179.246 177.584 0.015 0.000 1.215 307 A CA 1.995 54.048 52.037 0.026 0.000 0.641 307 A CB -0.694 18.313 19.000 0.013 0.000 0.838 307 A HN 0.503 nan 8.150 nan 0.000 0.450 308 D N -2.101 118.259 120.400 -0.067 0.000 2.350 308 D HA 0.146 4.706 4.640 -0.134 0.000 0.213 308 D C 0.687 176.749 176.300 -0.396 0.000 1.031 308 D CA 0.489 54.328 54.000 -0.269 0.000 0.861 308 D CB 0.034 40.543 40.800 -0.485 0.000 0.926 308 D HN 0.486 nan 8.370 nan 0.000 0.520 309 F N -0.277 119.795 119.950 0.203 0.000 2.746 309 F HA 0.051 4.499 4.527 -0.132 0.000 0.313 309 F C 1.849 177.808 175.800 0.264 0.000 1.095 309 F CA -0.110 58.048 58.000 0.264 0.000 1.224 309 F CB 0.589 39.703 39.000 0.190 0.000 1.060 309 F HN -0.129 nan 8.300 nan 0.000 0.584 310 V N -4.832 115.290 119.914 0.348 0.000 3.245 310 V HA 0.275 4.314 4.120 -0.134 0.000 0.246 310 V C 1.357 177.677 176.094 0.377 0.000 1.487 310 V CA 0.214 62.740 62.300 0.377 0.000 1.154 310 V CB 0.253 32.190 31.823 0.189 0.000 0.971 310 V HN 0.053 nan 8.190 nan 0.000 0.443 311 E N 1.673 122.024 120.200 0.252 0.000 2.140 311 E HA 0.149 4.418 4.350 -0.134 0.000 0.191 311 E C 1.303 178.096 176.600 0.322 0.000 0.973 311 E CA 0.751 57.330 56.400 0.299 0.000 0.829 311 E CB 0.268 30.052 29.700 0.140 0.000 0.781 311 E HN 0.595 nan 8.360 nan 0.000 0.466 312 S N -0.019 115.811 115.700 0.217 0.000 2.558 312 S HA 0.041 4.430 4.470 -0.134 0.000 0.287 312 S C 0.947 175.690 174.600 0.238 0.000 1.321 312 S CA 0.730 59.023 58.200 0.155 0.000 1.048 312 S CB 1.126 64.378 63.200 0.087 0.000 0.844 312 S HN 0.236 nan 8.310 nan 0.000 0.512 313 K N 1.880 122.363 120.400 0.138 0.000 2.393 313 K HA 0.143 4.382 4.320 -0.134 0.000 0.193 313 K C 0.882 177.555 176.600 0.122 0.000 1.026 313 K CA 0.896 57.269 56.287 0.144 0.000 1.064 313 K CB -0.314 nan 32.500 nan 0.000 0.833 313 K HN 0.794 nan 8.250 nan 0.000 0.521 314 D N 0.052 120.497 120.400 0.075 0.000 2.349 314 D HA 0.064 4.623 4.640 -0.134 0.000 0.214 314 D C 1.645 177.921 176.300 -0.039 0.000 1.063 314 D CA 0.184 54.195 54.000 0.018 0.000 0.847 314 D CB 0.280 41.078 40.800 -0.004 0.000 0.933 314 D HN 0.117 nan 8.370 nan 0.000 0.513 315 V N 1.001 120.910 119.914 -0.009 0.000 2.232 315 V HA -0.425 3.615 4.120 -0.134 0.000 0.251 315 V C 2.602 178.533 176.094 -0.270 0.000 1.048 315 V CA 2.015 64.231 62.300 -0.141 0.000 1.029 315 V CB -1.050 30.633 31.823 -0.233 0.000 0.658 315 V HN 0.331 nan 8.190 nan 0.000 0.464 316 c N -0.064 118.450 118.600 -0.144 0.000 2.396 316 c HA -0.230 4.259 4.570 -0.134 0.000 0.277 316 c C 3.112 177.165 174.090 -0.061 0.000 1.231 316 c CA 1.684 57.983 56.329 -0.050 0.000 1.775 316 c CB -1.622 40.915 42.510 0.046 0.000 2.036 316 c HN 0.772 nan 8.230 nan 0.000 0.484 317 K N 1.052 121.403 120.400 -0.081 0.000 1.978 317 K HA -0.195 4.044 4.320 -0.134 0.000 0.214 317 K C 1.659 178.168 176.600 -0.151 0.000 1.049 317 K CA 2.018 58.254 56.287 -0.084 0.000 0.939 317 K CB -1.187 nan 32.500 nan 0.000 0.721 317 K HN 0.668 nan 8.250 nan 0.000 0.441 318 N N -0.740 117.807 118.700 -0.256 0.000 2.149 318 N HA -0.154 4.505 4.740 -0.134 0.000 0.188 318 N C 1.767 177.020 175.510 -0.428 0.000 1.019 318 N CA 1.711 54.550 53.050 -0.352 0.000 0.857 318 N CB -0.370 37.810 38.487 -0.513 0.000 0.997 318 N HN 0.593 nan 8.380 nan 0.000 0.426 319 Y N 1.686 121.556 120.300 -0.717 0.000 2.274 319 Y HA -0.073 4.396 4.550 -0.135 0.000 0.290 319 Y C 2.257 178.058 175.900 -0.164 0.000 1.145 319 Y CA 1.037 58.874 58.100 -0.437 0.000 1.203 319 Y CB -0.399 37.855 38.460 -0.344 0.000 0.984 319 Y HN 0.060 nan 8.280 nan 0.000 0.533 320 A N 0.096 122.772 122.820 -0.239 0.000 1.930 320 A HA 0.016 4.255 4.320 -0.134 0.000 0.215 320 A C 2.196 179.681 177.584 -0.166 0.000 1.176 320 A CA 1.594 53.485 52.037 -0.244 0.000 0.632 320 A CB -1.227 17.693 19.000 -0.134 0.000 0.819 320 A HN 0.506 nan 8.150 nan 0.000 0.445 321 E N -0.242 119.889 120.200 -0.115 0.000 2.023 321 E HA 0.229 4.498 4.350 -0.134 0.000 0.196 321 E C 1.112 177.694 176.600 -0.031 0.000 1.003 321 E CA 1.617 57.983 56.400 -0.058 0.000 0.809 321 E CB -0.596 29.083 29.700 -0.036 0.000 0.755 321 E HN 1.542 nan 8.360 nan 0.000 0.449 322 A N 0.059 122.876 122.820 -0.004 0.000 3.158 322 A HA 0.487 4.727 4.320 -0.134 0.000 0.302 322 A C 1.019 178.677 177.584 0.123 0.000 1.162 322 A CA 0.471 52.543 52.037 0.058 0.000 0.824 322 A CB 0.351 19.416 19.000 0.109 0.000 1.322 322 A HN 0.349 nan 8.150 nan 0.000 0.510 323 K N 0.438 120.849 120.400 0.017 0.000 2.044 323 K HA -0.234 4.005 4.320 -0.134 0.000 0.210 323 K C 0.710 177.489 176.600 0.299 0.000 1.049 323 K CA 2.318 58.670 56.287 0.108 0.000 0.927 323 K CB -0.095 32.228 32.500 -0.295 0.000 0.713 323 K HN 0.360 nan 8.250 nan 0.000 0.443 324 D N 0.540 121.058 120.400 0.196 0.000 2.123 324 D HA -0.118 4.441 4.640 -0.134 0.000 0.196 324 D C 2.044 178.506 176.300 0.269 0.000 0.992 324 D CA 1.462 55.592 54.000 0.216 0.000 0.833 324 D CB -0.098 40.797 40.800 0.157 0.000 0.954 324 D HN 0.166 nan 8.370 nan 0.000 0.455 325 V N 0.415 120.496 119.914 0.278 0.000 2.548 325 V HA -0.154 3.885 4.120 -0.134 0.000 0.249 325 V C 2.093 178.381 176.094 0.324 0.000 1.055 325 V CA 0.928 63.425 62.300 0.328 0.000 1.065 325 V CB -0.540 31.463 31.823 0.300 0.000 0.681 325 V HN 0.113 nan 8.190 nan 0.000 0.462 326 F N 0.374 120.453 119.950 0.216 0.000 2.084 326 F HA -0.154 4.293 4.527 -0.133 0.000 0.296 326 F C 2.138 178.134 175.800 0.326 0.000 1.111 326 F CA 1.683 59.844 58.000 0.270 0.000 1.224 326 F CB -0.010 39.184 39.000 0.323 0.000 0.991 326 F HN 0.001 nan 8.300 nan 0.000 0.471 327 L N -0.175 121.261 121.223 0.355 0.000 2.083 327 L HA -0.162 4.097 4.340 -0.134 0.000 0.209 327 L C 2.761 179.743 176.870 0.188 0.000 1.083 327 L CA 1.222 56.224 54.840 0.270 0.000 0.752 327 L CB -1.498 40.754 42.059 0.321 0.000 0.899 327 L HN 0.347 nan 8.230 nan 0.000 0.433 328 G N -0.492 108.425 108.800 0.195 0.000 2.422 328 G HA2 -0.277 3.602 3.960 -0.134 0.000 0.218 328 G HA3 -0.277 3.602 3.960 -0.134 0.000 0.218 328 G C 1.651 176.542 174.900 -0.016 0.000 1.146 328 G CA 0.602 45.832 45.100 0.218 0.000 0.769 328 G HN 0.193 nan 8.290 nan 0.000 0.547 329 M N -0.766 118.613 119.600 -0.368 0.000 2.175 329 M HA 0.100 4.499 4.480 -0.134 0.000 0.264 329 M C 2.229 178.413 176.300 -0.194 0.000 1.063 329 M CA 0.881 55.813 55.300 -0.614 0.000 1.119 329 M CB -0.192 32.102 32.600 -0.510 0.000 1.377 329 M HN 0.298 nan 8.290 nan 0.000 0.415 330 F N 1.070 120.761 119.950 -0.432 0.000 2.069 330 F HA -0.269 4.177 4.527 -0.134 0.000 0.298 330 F C 1.902 177.428 175.800 -0.457 0.000 1.113 330 F CA 1.578 59.052 58.000 -0.877 0.000 1.214 330 F CB -0.721 37.747 39.000 -0.887 0.000 0.978 330 F HN 0.015 nan 8.300 nan 0.000 0.474 331 L N 0.252 121.234 121.223 -0.402 0.000 1.990 331 L HA -0.253 4.007 4.340 -0.134 0.000 0.213 331 L C 2.388 179.081 176.870 -0.296 0.000 1.072 331 L CA 2.483 57.090 54.840 -0.388 0.000 0.755 331 L CB -1.764 40.235 42.059 -0.100 0.000 0.889 331 L HN 0.467 nan 8.230 nan 0.000 0.432 332 Y N 0.309 120.483 120.300 -0.210 0.000 2.114 332 Y HA -0.264 4.205 4.550 -0.136 0.000 0.282 332 Y C 2.372 178.179 175.900 -0.156 0.000 1.165 332 Y CA 2.288 60.329 58.100 -0.098 0.000 1.148 332 Y CB -0.293 38.214 38.460 0.077 0.000 0.972 332 Y HN 0.331 nan 8.280 nan 0.000 0.504 333 E N -0.996 118.960 120.200 -0.407 0.000 2.150 333 E HA -0.205 4.065 4.350 -0.134 0.000 0.193 333 E C 1.877 178.204 176.600 -0.455 0.000 0.985 333 E CA 1.146 57.277 56.400 -0.448 0.000 0.814 333 E CB -0.523 29.093 29.700 -0.139 0.000 0.752 333 E HN 0.622 nan 8.360 nan 0.000 0.466 334 Y N 0.620 120.526 120.300 -0.656 0.000 2.365 334 Y HA 0.055 4.525 4.550 -0.133 0.000 0.293 334 Y C 2.153 177.803 175.900 -0.417 0.000 1.119 334 Y CA 0.790 58.539 58.100 -0.585 0.000 1.203 334 Y CB -0.108 37.768 38.460 -0.973 0.000 1.026 334 Y HN -0.015 nan 8.280 nan 0.000 0.549 335 A N 0.922 123.604 122.820 -0.230 0.000 1.898 335 A HA -0.104 4.136 4.320 -0.134 0.000 0.214 335 A C 2.328 179.759 177.584 -0.254 0.000 1.183 335 A CA 1.279 53.183 52.037 -0.223 0.000 0.622 335 A CB -0.598 18.251 19.000 -0.251 0.000 0.824 335 A HN 0.517 nan 8.150 nan 0.000 0.444 336 R N 0.695 120.983 120.500 -0.353 0.000 2.103 336 R HA -0.185 4.075 4.340 -0.134 0.000 0.242 336 R C 1.652 177.779 176.300 -0.288 0.000 1.142 336 R CA 1.761 57.660 56.100 -0.335 0.000 0.960 336 R CB -0.561 29.455 30.300 -0.473 0.000 0.858 336 R HN 0.588 nan 8.270 nan 0.000 0.439 337 R N -0.187 120.116 120.500 -0.329 0.000 2.391 337 R HA 0.153 4.413 4.340 -0.134 0.000 0.249 337 R C -0.252 175.689 176.300 -0.599 0.000 0.957 337 R CA 0.035 55.895 56.100 -0.400 0.000 1.093 337 R CB 0.156 30.209 30.300 -0.412 0.000 1.156 337 R HN 0.305 nan 8.270 nan 0.000 0.526 338 H N 1.166 120.027 119.070 -0.347 0.000 2.597 338 H HA 0.189 4.664 4.556 -0.135 0.000 0.225 338 H C -2.113 173.014 175.328 -0.334 0.000 1.422 338 H CA -1.569 54.204 56.048 -0.459 0.000 1.335 338 H CB 1.792 31.119 29.762 -0.724 0.000 1.783 338 H HN 0.137 nan 8.280 nan 0.000 0.513 339 P HA -0.028 nan 4.420 nan 0.000 0.245 339 P C 0.693 177.952 177.300 -0.068 0.000 1.212 339 P CA 0.541 63.564 63.100 -0.127 0.000 0.774 339 P CB 0.366 31.983 31.700 -0.139 0.000 0.999 340 D N -2.101 118.289 120.400 -0.017 0.000 2.339 340 D HA -0.043 4.516 4.640 -0.134 0.000 0.217 340 D C -0.030 176.425 176.300 0.259 0.000 1.050 340 D CA -0.147 53.902 54.000 0.082 0.000 0.856 340 D CB -0.374 40.484 40.800 0.098 0.000 0.922 340 D HN 0.072 nan 8.370 nan 0.000 0.518 341 Y N 1.583 121.848 120.300 -0.058 0.000 2.420 341 Y HA 0.353 4.821 4.550 -0.136 0.000 0.334 341 Y C 0.952 176.764 175.900 -0.147 0.000 1.094 341 Y CA -2.429 55.601 58.100 -0.117 0.000 1.126 341 Y CB 1.671 40.023 38.460 -0.181 0.000 1.217 341 Y HN -0.127 nan 8.280 nan 0.000 0.462 342 S N -0.029 115.658 115.700 -0.022 0.000 2.592 342 S HA 0.234 4.623 4.470 -0.134 0.000 0.271 342 S C 0.925 175.447 174.600 -0.130 0.000 1.326 342 S CA -0.700 57.455 58.200 -0.074 0.000 1.024 342 S CB 1.069 64.228 63.200 -0.069 0.000 0.921 342 S HN 0.411 nan 8.310 nan 0.000 0.527 343 V N 2.074 121.875 119.914 -0.188 0.000 2.469 343 V HA -0.182 3.858 4.120 -0.134 0.000 0.251 343 V C 2.484 178.443 176.094 -0.225 0.000 1.064 343 V CA 1.951 64.043 62.300 -0.346 0.000 1.066 343 V CB -1.220 30.180 31.823 -0.706 0.000 0.667 343 V HN 0.918 nan 8.190 nan 0.000 0.461 344 V N -1.936 117.929 119.914 -0.082 0.000 2.871 344 V HA -0.041 3.998 4.120 -0.134 0.000 0.256 344 V C 2.210 178.224 176.094 -0.134 0.000 1.082 344 V CA 1.529 63.797 62.300 -0.054 0.000 1.105 344 V CB -0.435 31.386 31.823 -0.005 0.000 0.713 344 V HN 0.441 nan 8.190 nan 0.000 0.473 345 L N 0.020 121.137 121.223 -0.178 0.000 2.131 345 L HA 0.134 4.393 4.340 -0.134 0.000 0.206 345 L C 2.220 178.899 176.870 -0.318 0.000 1.087 345 L CA 1.705 56.389 54.840 -0.260 0.000 0.767 345 L CB -0.626 41.230 42.059 -0.337 0.000 0.917 345 L HN 0.264 nan 8.230 nan 0.000 0.441 346 L N -0.937 120.119 121.223 -0.279 0.000 2.017 346 L HA -0.240 4.019 4.340 -0.134 0.000 0.208 346 L C 2.498 179.170 176.870 -0.330 0.000 1.073 346 L CA 1.464 56.096 54.840 -0.347 0.000 0.745 346 L CB -0.572 41.310 42.059 -0.295 0.000 0.894 346 L HN 0.282 nan 8.230 nan 0.000 0.432 347 L N -0.892 120.192 121.223 -0.232 0.000 2.265 347 L HA -0.175 4.084 4.340 -0.134 0.000 0.215 347 L C 2.715 179.501 176.870 -0.141 0.000 1.117 347 L CA 0.920 55.669 54.840 -0.151 0.000 0.782 347 L CB -0.406 41.603 42.059 -0.083 0.000 0.914 347 L HN 0.226 nan 8.230 nan 0.000 0.441 348 R N -0.208 120.177 120.500 -0.191 0.000 2.075 348 R HA -0.035 4.225 4.340 -0.134 0.000 0.226 348 R C 2.287 178.449 176.300 -0.230 0.000 1.114 348 R CA 0.894 56.889 56.100 -0.176 0.000 0.972 348 R CB -0.151 30.036 30.300 -0.187 0.000 0.869 348 R HN 0.296 nan 8.270 nan 0.000 0.437 349 L N 0.094 121.061 121.223 -0.425 0.000 2.017 349 L HA -0.145 4.115 4.340 -0.134 0.000 0.208 349 L C 2.689 179.397 176.870 -0.269 0.000 1.073 349 L CA 1.320 55.727 54.840 -0.722 0.000 0.745 349 L CB -0.692 40.575 42.059 -1.320 0.000 0.894 349 L HN 0.230 nan 8.230 nan 0.000 0.432 350 A N 0.327 123.078 122.820 -0.115 0.000 1.908 350 A HA -0.278 3.961 4.320 -0.134 0.000 0.218 350 A C 2.424 180.089 177.584 0.136 0.000 1.181 350 A CA 2.181 54.327 52.037 0.182 0.000 0.627 350 A CB -0.509 18.548 19.000 0.095 0.000 0.818 350 A HN 0.367 nan 8.150 nan 0.000 0.445 351 K N -1.159 119.266 120.400 0.041 0.000 2.148 351 K HA -0.104 4.136 4.320 -0.134 0.000 0.204 351 K C 1.823 178.455 176.600 0.054 0.000 1.050 351 K CA 1.671 57.984 56.287 0.043 0.000 0.942 351 K CB -0.238 32.268 32.500 0.011 0.000 0.724 351 K HN 0.419 nan 8.250 nan 0.000 0.446 352 T N 0.073 114.672 114.554 0.076 0.000 2.904 352 T HA -0.122 4.147 4.350 -0.134 0.000 0.267 352 T C 1.240 176.052 174.700 0.186 0.000 1.059 352 T CA 0.904 63.086 62.100 0.137 0.000 1.137 352 T CB -0.278 68.719 68.868 0.216 0.000 0.879 352 T HN 0.325 nan 8.240 nan 0.000 0.467 353 Y N 2.028 122.360 120.300 0.054 0.000 2.184 353 Y HA -0.015 4.454 4.550 -0.135 0.000 0.290 353 Y C 2.459 178.239 175.900 -0.200 0.000 1.129 353 Y CA 1.482 59.509 58.100 -0.121 0.000 1.144 353 Y CB -0.326 37.872 38.460 -0.437 0.000 0.995 353 Y HN 0.259 nan 8.280 nan 0.000 0.513 354 E N -0.861 119.230 120.200 -0.183 0.000 2.051 354 E HA -0.202 4.067 4.350 -0.134 0.000 0.192 354 E C 1.932 178.423 176.600 -0.181 0.000 0.991 354 E CA 2.039 58.295 56.400 -0.241 0.000 0.799 354 E CB -0.263 29.437 29.700 -0.000 0.000 0.748 354 E HN 0.441 nan 8.360 nan 0.000 0.449 355 T N 0.210 114.722 114.554 -0.070 0.000 2.759 355 T HA -0.149 4.120 4.350 -0.134 0.000 0.269 355 T C 1.814 176.471 174.700 -0.072 0.000 1.042 355 T CA 1.786 63.865 62.100 -0.035 0.000 1.140 355 T CB -0.429 68.439 68.868 0.000 0.000 0.864 355 T HN 0.277 nan 8.240 nan 0.000 0.455 356 T N 2.285 116.768 114.554 -0.119 0.000 2.737 356 T HA 0.086 4.355 4.350 -0.134 0.000 0.265 356 T C 2.001 176.593 174.700 -0.181 0.000 1.038 356 T CA 0.790 62.819 62.100 -0.119 0.000 1.144 356 T CB -0.419 68.388 68.868 -0.103 0.000 0.866 356 T HN 0.259 nan 8.240 nan 0.000 0.434 357 L N 0.900 121.882 121.223 -0.402 0.000 2.079 357 L HA -0.120 4.139 4.340 -0.134 0.000 0.210 357 L C 2.920 179.677 176.870 -0.188 0.000 1.081 357 L CA 1.171 55.729 54.840 -0.470 0.000 0.752 357 L CB -0.622 40.798 42.059 -1.065 0.000 0.896 357 L HN 0.201 nan 8.230 nan 0.000 0.433 358 E N 0.567 120.707 120.200 -0.101 0.000 2.033 358 E HA -0.259 4.010 4.350 -0.134 0.000 0.199 358 E C 2.335 178.963 176.600 0.046 0.000 1.011 358 E CA 2.141 58.586 56.400 0.074 0.000 0.815 358 E CB -0.215 29.529 29.700 0.074 0.000 0.755 358 E HN 0.457 nan 8.360 nan 0.000 0.451 359 K N -0.018 120.390 120.400 0.013 0.000 2.103 359 K HA -0.005 4.234 4.320 -0.134 0.000 0.204 359 K C 2.431 179.047 176.600 0.027 0.000 1.052 359 K CA 1.189 57.488 56.287 0.019 0.000 0.945 359 K CB -1.291 31.215 32.500 0.010 0.000 0.722 359 K HN 0.275 nan 8.250 nan 0.000 0.443 360 c N 0.709 119.324 118.600 0.026 0.000 2.432 360 c HA -0.003 4.486 4.570 -0.134 0.000 0.277 360 c C 3.048 177.192 174.090 0.090 0.000 1.249 360 c CA 0.853 57.221 56.329 0.065 0.000 1.725 360 c CB -1.377 41.206 42.510 0.122 0.000 2.028 360 c HN 0.786 nan 8.230 nan 0.000 0.477 361 c N 0.817 119.467 118.600 0.084 0.000 2.410 361 c HA -0.025 4.465 4.570 -0.134 0.000 0.281 361 c C 2.515 176.650 174.090 0.075 0.000 1.318 361 c CA 1.101 57.489 56.329 0.098 0.000 1.776 361 c CB -1.651 40.927 42.510 0.113 0.000 1.942 361 c HN 0.709 nan 8.230 nan 0.000 0.508 362 A N -0.204 122.651 122.820 0.059 0.000 2.411 362 A HA 0.629 4.869 4.320 -0.134 0.000 0.251 362 A C 0.863 178.468 177.584 0.034 0.000 1.317 362 A CA 0.608 52.671 52.037 0.042 0.000 0.904 362 A CB -0.375 18.647 19.000 0.036 0.000 0.993 362 A HN 0.502 nan 8.150 nan 0.000 0.504 363 A N -1.351 121.493 122.820 0.040 0.000 2.248 363 A HA 0.704 4.943 4.320 -0.134 0.000 0.316 363 A C 1.426 179.025 177.584 0.025 0.000 1.101 363 A CA 0.093 52.147 52.037 0.029 0.000 0.875 363 A CB 0.314 19.330 19.000 0.027 0.000 1.207 363 A HN 1.021 nan 8.150 nan 0.000 0.504 364 A N -0.882 121.947 122.820 0.015 0.000 2.067 364 A HA 0.203 4.442 4.320 -0.134 0.000 0.219 364 A C 0.485 178.077 177.584 0.012 0.000 1.158 364 A CA 2.078 54.121 52.037 0.012 0.000 0.661 364 A CB -0.323 18.681 19.000 0.005 0.000 0.801 364 A HN 0.817 nan 8.150 nan 0.000 0.452 365 D N -3.020 117.388 120.400 0.013 0.000 2.362 365 D HA 0.307 4.866 4.640 -0.134 0.000 0.232 365 D C -2.307 173.994 176.300 0.002 0.000 1.329 365 D CA -1.010 52.996 54.000 0.011 0.000 0.944 365 D CB 0.965 41.764 40.800 -0.001 0.000 1.471 365 D HN -0.142 nan 8.370 nan 0.000 0.533 366 P HA -0.212 nan 4.420 nan 0.000 0.213 366 P C 1.143 178.287 177.300 -0.260 0.000 1.176 366 P CA 1.270 64.412 63.100 0.069 0.000 0.919 366 P CB 0.056 31.910 31.700 0.257 0.000 0.791 367 H N -0.380 118.447 119.070 -0.405 0.000 2.330 367 H HA -0.228 4.248 4.556 -0.134 0.000 0.290 367 H C 2.030 176.977 175.328 -0.635 0.000 1.111 367 H CA 2.389 57.970 56.048 -0.780 0.000 1.226 367 H CB -0.421 29.161 29.762 -0.300 0.000 1.355 367 H HN 0.201 nan 8.280 nan 0.000 0.485 368 E N -0.961 119.086 120.200 -0.255 0.000 2.110 368 E HA -0.190 4.079 4.350 -0.134 0.000 0.193 368 E C 2.405 178.868 176.600 -0.229 0.000 0.988 368 E CA 1.018 57.305 56.400 -0.187 0.000 0.804 368 E CB -0.310 29.347 29.700 -0.073 0.000 0.745 368 E HN 0.560 nan 8.360 nan 0.000 0.458 369 c N 0.589 119.055 118.600 -0.222 0.000 2.508 369 c HA -0.126 4.364 4.570 -0.134 0.000 0.280 369 c C 2.526 176.549 174.090 -0.113 0.000 1.262 369 c CA 1.037 57.291 56.329 -0.125 0.000 1.706 369 c CB -1.159 41.328 42.510 -0.039 0.000 2.078 369 c HN 0.693 nan 8.230 nan 0.000 0.480 370 Y N 1.127 121.372 120.300 -0.092 0.000 2.462 370 Y HA 0.561 5.030 4.550 -0.134 0.000 0.293 370 Y C 1.737 177.563 175.900 -0.123 0.000 1.195 370 Y CA 0.159 58.200 58.100 -0.097 0.000 1.276 370 Y CB -1.357 37.046 38.460 -0.095 0.000 1.082 370 Y HN 0.229 nan 8.280 nan 0.000 0.514 371 A N 1.368 123.962 122.820 -0.376 0.000 1.972 371 A HA -0.072 4.168 4.320 -0.134 0.000 0.219 371 A C 1.802 179.307 177.584 -0.131 0.000 1.169 371 A CA 1.097 52.914 52.037 -0.367 0.000 0.635 371 A CB -0.263 18.471 19.000 -0.442 0.000 0.810 371 A HN 0.440 nan 8.150 nan 0.000 0.446 372 K N -0.262 120.098 120.400 -0.068 0.000 2.699 372 K HA 0.253 4.492 4.320 -0.134 0.000 0.210 372 K C 0.989 177.595 176.600 0.009 0.000 1.076 372 K CA 0.001 56.275 56.287 -0.022 0.000 1.109 372 K CB 0.673 33.157 32.500 -0.027 0.000 0.862 372 K HN 0.216 nan 8.250 nan 0.000 0.470 373 V N 0.358 120.296 119.914 0.039 0.000 2.287 373 V HA -0.264 3.776 4.120 -0.134 0.000 0.248 373 V C 1.521 177.453 176.094 -0.270 0.000 1.053 373 V CA 1.899 64.163 62.300 -0.059 0.000 1.027 373 V CB -0.367 31.465 31.823 0.015 0.000 0.646 373 V HN 0.304 nan 8.190 nan 0.000 0.447 374 F N 0.837 120.517 119.950 -0.450 0.000 2.346 374 F HA -0.132 4.315 4.527 -0.132 0.000 0.301 374 F C 2.035 177.750 175.800 -0.142 0.000 1.070 374 F CA 1.829 59.581 58.000 -0.414 0.000 1.407 374 F CB -0.902 38.044 39.000 -0.091 0.000 1.072 374 F HN 0.330 nan 8.300 nan 0.000 0.543 375 D N -0.356 120.080 120.400 0.061 0.000 2.224 375 D HA -0.099 4.460 4.640 -0.134 0.000 0.205 375 D C 1.887 178.222 176.300 0.057 0.000 0.965 375 D CA 0.908 54.948 54.000 0.066 0.000 0.852 375 D CB -0.058 40.766 40.800 0.039 0.000 0.947 375 D HN 0.303 nan 8.370 nan 0.000 0.494 376 E N -0.932 119.279 120.200 0.020 0.000 2.479 376 E HA -0.020 4.250 4.350 -0.134 0.000 0.193 376 E C 0.952 177.682 176.600 0.217 0.000 1.049 376 E CA -0.058 56.388 56.400 0.077 0.000 0.870 376 E CB 0.242 29.973 29.700 0.052 0.000 0.944 376 E HN 0.288 nan 8.360 nan 0.000 0.492 377 F N 1.485 121.426 119.950 -0.015 0.000 2.219 377 F HA 0.011 4.460 4.527 -0.131 0.000 0.294 377 F C 2.309 178.071 175.800 -0.063 0.000 1.086 377 F CA 0.573 58.524 58.000 -0.081 0.000 1.330 377 F CB -0.625 38.291 39.000 -0.140 0.000 1.047 377 F HN -0.066 nan 8.300 nan 0.000 0.495 378 K N 0.453 120.970 120.400 0.196 0.000 2.052 378 K HA -0.237 4.003 4.320 -0.134 0.000 0.215 378 K C -0.718 175.905 176.600 0.039 0.000 1.053 378 K CA 2.263 58.612 56.287 0.104 0.000 0.934 378 K CB -1.222 31.338 32.500 0.099 0.000 0.717 378 K HN 0.107 nan 8.250 nan 0.000 0.450 379 P HA -0.159 nan 4.420 nan 0.000 0.211 379 P C 1.333 178.611 177.300 -0.036 0.000 1.179 379 P CA 1.310 64.412 63.100 0.004 0.000 0.910 379 P CB -0.052 31.657 31.700 0.014 0.000 0.785 380 L N -1.040 120.158 121.223 -0.041 0.000 2.123 380 L HA -0.233 4.027 4.340 -0.134 0.000 0.217 380 L C 2.271 179.029 176.870 -0.186 0.000 1.081 380 L CA 1.612 56.386 54.840 -0.109 0.000 0.772 380 L CB -1.182 40.797 42.059 -0.134 0.000 0.890 380 L HN -0.077 nan 8.230 nan 0.000 0.437 381 V N -0.747 119.044 119.914 -0.206 0.000 2.407 381 V HA -0.190 3.850 4.120 -0.134 0.000 0.245 381 V C 2.258 178.220 176.094 -0.220 0.000 1.041 381 V CA 1.553 63.660 62.300 -0.321 0.000 1.040 381 V CB -0.361 31.262 31.823 -0.333 0.000 0.671 381 V HN 0.427 nan 8.190 nan 0.000 0.455 382 E N -0.214 119.915 120.200 -0.118 0.000 2.150 382 E HA -0.200 4.070 4.350 -0.134 0.000 0.193 382 E C 2.276 178.836 176.600 -0.067 0.000 0.985 382 E CA 0.795 57.151 56.400 -0.073 0.000 0.814 382 E CB -0.106 29.575 29.700 -0.032 0.000 0.752 382 E HN 0.513 nan 8.360 nan 0.000 0.466 383 E N 0.857 121.014 120.200 -0.070 0.000 2.049 383 E HA -0.180 4.090 4.350 -0.134 0.000 0.198 383 E C -0.683 175.885 176.600 -0.054 0.000 1.007 383 E CA 1.678 58.046 56.400 -0.054 0.000 0.809 383 E CB -0.885 28.781 29.700 -0.056 0.000 0.749 383 E HN 0.179 nan 8.360 nan 0.000 0.450 384 P HA -0.097 nan 4.420 nan 0.000 0.216 384 P C 1.379 178.646 177.300 -0.055 0.000 1.153 384 P CA 1.468 64.525 63.100 -0.072 0.000 0.848 384 P CB -0.106 31.524 31.700 -0.116 0.000 0.787 385 Q N -0.771 118.986 119.800 -0.071 0.000 2.061 385 Q HA -0.194 4.065 4.340 -0.134 0.000 0.204 385 Q C 1.948 177.937 176.000 -0.018 0.000 0.984 385 Q CA 1.418 57.194 55.803 -0.044 0.000 0.846 385 Q CB -0.549 28.160 28.738 -0.048 0.000 0.902 385 Q HN 0.300 nan 8.270 nan 0.000 0.421 386 N N 0.539 119.230 118.700 -0.016 0.000 2.142 386 N HA -0.141 4.519 4.740 -0.134 0.000 0.186 386 N C 1.773 177.290 175.510 0.011 0.000 1.023 386 N CA 0.742 53.791 53.050 -0.000 0.000 0.852 386 N CB -0.339 38.147 38.487 -0.001 0.000 0.998 386 N HN 0.116 nan 8.380 nan 0.000 0.424 387 L N 1.476 122.705 121.223 0.009 0.000 2.013 387 L HA -0.127 4.132 4.340 -0.134 0.000 0.212 387 L C 1.948 178.843 176.870 0.042 0.000 1.073 387 L CA 1.391 56.248 54.840 0.029 0.000 0.753 387 L CB -0.513 41.562 42.059 0.026 0.000 0.890 387 L HN 0.061 nan 8.230 nan 0.000 0.432 388 I N -0.348 120.238 120.570 0.025 0.000 2.179 388 I HA -0.300 3.790 4.170 -0.134 0.000 0.242 388 I C 2.510 178.641 176.117 0.024 0.000 1.088 388 I CA 1.433 62.748 61.300 0.025 0.000 1.357 388 I CB -1.299 36.706 38.000 0.009 0.000 1.051 388 I HN 0.402 nan 8.210 nan 0.000 0.409 389 K N 0.683 121.094 120.400 0.019 0.000 2.063 389 K HA -0.254 3.985 4.320 -0.134 0.000 0.208 389 K C 2.378 178.995 176.600 0.028 0.000 1.048 389 K CA 2.123 58.421 56.287 0.019 0.000 0.928 389 K CB -0.010 32.499 32.500 0.015 0.000 0.713 389 K HN 0.455 nan 8.250 nan 0.000 0.442 390 Q N 1.145 120.969 119.800 0.040 0.000 1.990 390 Q HA -0.133 4.126 4.340 -0.134 0.000 0.200 390 Q C 1.747 177.797 176.000 0.084 0.000 0.980 390 Q CA 1.722 57.559 55.803 0.056 0.000 0.832 390 Q CB -1.051 27.722 28.738 0.058 0.000 0.897 390 Q HN 0.457 nan 8.270 nan 0.000 0.427 391 N N -0.292 118.478 118.700 0.116 0.000 2.443 391 N HA -0.099 4.561 4.740 -0.134 0.000 0.184 391 N C 1.799 177.330 175.510 0.035 0.000 1.037 391 N CA 1.345 54.513 53.050 0.196 0.000 0.896 391 N CB -0.272 38.388 38.487 0.287 0.000 0.959 391 N HN 0.613 nan 8.380 nan 0.000 0.442 392 c N 0.594 119.193 118.600 -0.000 0.000 2.485 392 c HA 0.079 4.568 4.570 -0.134 0.000 0.278 392 c C 2.552 176.647 174.090 0.008 0.000 1.356 392 c CA -0.084 56.221 56.329 -0.040 0.000 1.747 392 c CB -0.464 42.028 42.510 -0.029 0.000 2.001 392 c HN 0.461 nan 8.230 nan 0.000 0.501 393 E N 0.483 120.692 120.200 0.015 0.000 2.031 393 E HA -0.231 4.038 4.350 -0.134 0.000 0.193 393 E C 1.987 178.588 176.600 0.001 0.000 0.994 393 E CA 1.122 57.530 56.400 0.014 0.000 0.800 393 E CB -0.244 29.469 29.700 0.022 0.000 0.752 393 E HN 0.444 nan 8.360 nan 0.000 0.447 394 L N 0.722 121.962 121.223 0.028 0.000 1.970 394 L HA -0.205 4.054 4.340 -0.134 0.000 0.212 394 L C 2.200 179.030 176.870 -0.066 0.000 1.071 394 L CA 1.751 56.625 54.840 0.056 0.000 0.751 394 L CB -0.813 41.379 42.059 0.223 0.000 0.889 394 L HN 0.150 nan 8.230 nan 0.000 0.432 395 F N 0.727 120.373 119.950 -0.507 0.000 2.115 395 F HA -0.298 4.152 4.527 -0.129 0.000 0.300 395 F C 2.296 177.908 175.800 -0.314 0.000 1.092 395 F CA 2.278 59.802 58.000 -0.795 0.000 1.245 395 F CB -0.364 37.980 39.000 -1.093 0.000 0.995 395 F HN 0.315 nan 8.300 nan 0.000 0.481 396 E N -0.413 119.645 120.200 -0.238 0.000 2.153 396 E HA -0.276 3.993 4.350 -0.134 0.000 0.194 396 E C 2.146 178.608 176.600 -0.230 0.000 0.988 396 E CA 1.399 57.661 56.400 -0.230 0.000 0.811 396 E CB -0.275 29.394 29.700 -0.052 0.000 0.746 396 E HN 0.748 nan 8.360 nan 0.000 0.466 397 Q N 0.104 119.808 119.800 -0.159 0.000 2.354 397 Q HA -0.009 4.250 4.340 -0.134 0.000 0.203 397 Q C 1.806 177.742 176.000 -0.106 0.000 0.933 397 Q CA 0.611 56.352 55.803 -0.103 0.000 0.901 397 Q CB 0.135 28.846 28.738 -0.046 0.000 1.007 397 Q HN 0.261 nan 8.270 nan 0.000 0.495 398 L N -0.061 121.079 121.223 -0.138 0.000 2.515 398 L HA 0.419 4.679 4.340 -0.134 0.000 0.223 398 L C 0.943 177.728 176.870 -0.140 0.000 1.079 398 L CA 0.187 54.979 54.840 -0.080 0.000 0.857 398 L CB 0.048 42.125 42.059 0.030 0.000 1.050 398 L HN 0.386 nan 8.230 nan 0.000 0.476 399 G N 1.211 109.784 108.800 -0.378 0.000 2.781 399 G HA2 -0.277 3.602 3.960 -0.134 0.000 0.683 399 G HA3 -0.277 3.602 3.960 -0.134 0.000 0.683 399 G C 0.326 175.051 174.900 -0.291 0.000 1.390 399 G CA 0.174 45.020 45.100 -0.422 0.000 0.850 399 G HN 0.298 nan 8.290 nan 0.000 0.557 400 E N -0.602 119.542 120.200 -0.094 0.000 2.038 400 E HA -0.224 4.045 4.350 -0.134 0.000 0.195 400 E C 2.041 178.822 176.600 0.302 0.000 1.000 400 E CA 2.028 58.614 56.400 0.310 0.000 0.803 400 E CB -0.199 29.721 29.700 0.367 0.000 0.750 400 E HN 0.700 nan 8.360 nan 0.000 0.448 401 Y N 1.035 121.401 120.300 0.110 0.000 2.097 401 Y HA -0.280 4.188 4.550 -0.136 0.000 0.282 401 Y C 2.484 178.439 175.900 0.091 0.000 1.152 401 Y CA 3.221 61.374 58.100 0.089 0.000 1.136 401 Y CB -0.852 37.638 38.460 0.051 0.000 0.975 401 Y HN 0.079 nan 8.280 nan 0.000 0.498 402 K N -0.201 120.179 120.400 -0.034 0.000 2.147 402 K HA -0.173 4.066 4.320 -0.134 0.000 0.205 402 K C 2.049 178.642 176.600 -0.012 0.000 1.049 402 K CA 1.527 57.744 56.287 -0.116 0.000 0.936 402 K CB -1.744 30.761 32.500 0.008 0.000 0.722 402 K HN 0.530 nan 8.250 nan 0.000 0.446 403 F N 1.918 121.836 119.950 -0.053 0.000 2.113 403 F HA -0.114 4.330 4.527 -0.138 0.000 0.297 403 F C 2.538 178.347 175.800 0.016 0.000 1.103 403 F CA 1.809 59.828 58.000 0.030 0.000 1.248 403 F CB -0.217 38.892 39.000 0.181 0.000 0.999 403 F HN 0.357 nan 8.300 nan 0.000 0.475 404 Q N -0.008 119.800 119.800 0.012 0.000 2.096 404 Q HA -0.239 4.020 4.340 -0.134 0.000 0.204 404 Q C 1.963 177.847 176.000 -0.194 0.000 0.982 404 Q CA 1.656 57.393 55.803 -0.110 0.000 0.850 404 Q CB -0.426 28.309 28.738 -0.005 0.000 0.901 404 Q HN 0.432 nan 8.270 nan 0.000 0.422 405 N N 0.674 119.227 118.700 -0.245 0.000 2.104 405 N HA -0.161 4.499 4.740 -0.134 0.000 0.190 405 N C 1.716 177.125 175.510 -0.168 0.000 1.024 405 N CA 1.362 54.270 53.050 -0.236 0.000 0.853 405 N CB -0.480 37.813 38.487 -0.323 0.000 1.008 405 N HN 0.253 nan 8.380 nan 0.000 0.424 406 A N 1.927 124.644 122.820 -0.172 0.000 1.859 406 A HA -0.143 4.097 4.320 -0.134 0.000 0.217 406 A C 2.389 179.884 177.584 -0.147 0.000 1.198 406 A CA 1.349 53.300 52.037 -0.143 0.000 0.629 406 A CB -1.057 17.855 19.000 -0.145 0.000 0.830 406 A HN 0.263 nan 8.150 nan 0.000 0.446 407 L N -0.821 120.262 121.223 -0.234 0.000 2.127 407 L HA -0.207 4.052 4.340 -0.134 0.000 0.211 407 L C 2.615 179.488 176.870 0.004 0.000 1.089 407 L CA 0.914 55.686 54.840 -0.113 0.000 0.757 407 L CB -0.622 41.291 42.059 -0.242 0.000 0.899 407 L HN 0.408 nan 8.230 nan 0.000 0.434 408 L N -0.775 120.407 121.223 -0.070 0.000 1.976 408 L HA -0.215 4.044 4.340 -0.134 0.000 0.209 408 L C 2.568 179.428 176.870 -0.016 0.000 1.071 408 L CA 1.210 56.024 54.840 -0.042 0.000 0.746 408 L CB -0.333 41.684 42.059 -0.071 0.000 0.890 408 L HN 0.041 nan 8.230 nan 0.000 0.432 409 V N -0.391 119.499 119.914 -0.039 0.000 2.255 409 V HA -0.344 3.695 4.120 -0.134 0.000 0.247 409 V C 2.579 178.653 176.094 -0.034 0.000 1.051 409 V CA 2.028 64.307 62.300 -0.035 0.000 1.018 409 V CB -0.701 31.097 31.823 -0.042 0.000 0.641 409 V HN 0.423 nan 8.190 nan 0.000 0.445 410 R N -1.043 119.434 120.500 -0.038 0.000 2.103 410 R HA -0.217 4.042 4.340 -0.134 0.000 0.234 410 R C 2.358 178.572 176.300 -0.144 0.000 1.132 410 R CA 2.355 58.402 56.100 -0.088 0.000 0.925 410 R CB -0.527 29.716 30.300 -0.096 0.000 0.842 410 R HN 0.533 nan 8.270 nan 0.000 0.430 411 Y N 0.003 120.250 120.300 -0.089 0.000 2.274 411 Y HA -0.181 4.294 4.550 -0.126 0.000 0.290 411 Y C 2.538 178.389 175.900 -0.083 0.000 1.145 411 Y CA 1.842 59.891 58.100 -0.085 0.000 1.203 411 Y CB -0.316 38.072 38.460 -0.120 0.000 0.984 411 Y HN 0.177 nan 8.280 nan 0.000 0.533 412 T N -0.261 114.310 114.554 0.027 0.000 2.833 412 T HA -0.155 4.114 4.350 -0.134 0.000 0.269 412 T C 1.713 176.357 174.700 -0.092 0.000 1.054 412 T CA 1.380 63.458 62.100 -0.037 0.000 1.135 412 T CB -0.126 68.717 68.868 -0.041 0.000 0.869 412 T HN 0.332 nan 8.240 nan 0.000 0.466 413 K N 0.766 121.117 120.400 -0.081 0.000 2.228 413 K HA 0.058 4.297 4.320 -0.134 0.000 0.202 413 K C 2.302 178.847 176.600 -0.093 0.000 1.051 413 K CA 0.722 56.959 56.287 -0.083 0.000 0.960 413 K CB 0.049 32.512 32.500 -0.061 0.000 0.743 413 K HN 0.261 nan 8.250 nan 0.000 0.458 414 K N 0.699 121.033 120.400 -0.111 0.000 2.001 414 K HA -0.062 4.177 4.320 -0.134 0.000 0.208 414 K C 0.891 177.455 176.600 -0.059 0.000 1.048 414 K CA 1.241 57.465 56.287 -0.104 0.000 0.932 414 K CB 0.254 32.648 32.500 -0.175 0.000 0.715 414 K HN 0.036 nan 8.250 nan 0.000 0.437 415 V N -1.653 118.234 119.914 -0.046 0.000 2.383 415 V HA 0.277 4.316 4.120 -0.134 0.000 0.264 415 V C -2.732 173.298 176.094 -0.107 0.000 1.001 415 V CA -1.670 60.604 62.300 -0.043 0.000 0.828 415 V CB 1.416 33.255 31.823 0.027 0.000 1.069 415 V HN -0.050 nan 8.190 nan 0.000 0.451 416 P HA -0.034 nan 4.420 nan 0.000 0.223 416 P C 1.359 178.459 177.300 -0.334 0.000 1.151 416 P CA 1.133 63.954 63.100 -0.465 0.000 0.787 416 P CB 0.317 31.334 31.700 -1.139 0.000 0.788 417 Q N -0.731 118.970 119.800 -0.164 0.000 2.119 417 Q HA -0.036 4.223 4.340 -0.134 0.000 0.201 417 Q C 0.689 176.701 176.000 0.019 0.000 0.972 417 Q CA 0.573 56.366 55.803 -0.017 0.000 0.847 417 Q CB -1.390 27.384 28.738 0.060 0.000 0.903 417 Q HN 0.089 nan 8.270 nan 0.000 0.433 418 V N 2.332 122.262 119.914 0.027 0.000 2.814 418 V HA -0.079 3.961 4.120 -0.134 0.000 0.307 418 V C 0.414 176.523 176.094 0.025 0.000 1.089 418 V CA 0.132 62.469 62.300 0.061 0.000 1.212 418 V CB 0.405 32.259 31.823 0.051 0.000 0.912 418 V HN 0.367 nan 8.190 nan 0.000 0.497 419 S N 2.983 118.703 115.700 0.033 0.000 2.516 419 S HA 0.045 4.434 4.470 -0.134 0.000 0.282 419 S C 1.316 175.919 174.600 0.005 0.000 1.286 419 S CA -0.073 58.137 58.200 0.016 0.000 1.066 419 S CB 0.812 64.020 63.200 0.012 0.000 0.884 419 S HN 0.819 nan 8.310 nan 0.000 0.491 420 T N 4.661 119.217 114.554 0.003 0.000 2.624 420 T HA -0.144 4.125 4.350 -0.134 0.000 0.266 420 T C -0.812 173.884 174.700 -0.006 0.000 1.050 420 T CA 2.141 64.240 62.100 -0.003 0.000 1.163 420 T CB -1.814 67.056 68.868 0.004 0.000 0.861 420 T HN 0.561 nan 8.240 nan 0.000 0.443 421 P HA -0.107 nan 4.420 nan 0.000 0.214 421 P C 1.743 179.034 177.300 -0.015 0.000 1.163 421 P CA 1.489 64.586 63.100 -0.005 0.000 0.889 421 P CB -0.339 31.359 31.700 -0.003 0.000 0.790 422 T N -0.203 114.342 114.554 -0.016 0.000 2.684 422 T HA -0.144 4.126 4.350 -0.134 0.000 0.267 422 T C 1.802 176.473 174.700 -0.048 0.000 1.036 422 T CA 1.154 63.237 62.100 -0.028 0.000 1.148 422 T CB -1.081 67.781 68.868 -0.010 0.000 0.863 422 T HN 0.047 nan 8.240 nan 0.000 0.436 423 L N 0.670 121.870 121.223 -0.038 0.000 2.042 423 L HA -0.135 4.125 4.340 -0.134 0.000 0.210 423 L C 2.683 179.515 176.870 -0.063 0.000 1.076 423 L CA 1.045 55.853 54.840 -0.052 0.000 0.749 423 L CB -0.735 41.306 42.059 -0.030 0.000 0.893 423 L HN 0.173 nan 8.230 nan 0.000 0.432 424 V N -0.242 119.647 119.914 -0.041 0.000 2.237 424 V HA -0.292 3.748 4.120 -0.134 0.000 0.245 424 V C 2.479 178.548 176.094 -0.042 0.000 1.046 424 V CA 2.039 64.319 62.300 -0.033 0.000 1.007 424 V CB -0.469 31.348 31.823 -0.010 0.000 0.638 424 V HN 0.436 nan 8.190 nan 0.000 0.445 425 E N 0.476 120.652 120.200 -0.039 0.000 2.048 425 E HA -0.226 4.044 4.350 -0.134 0.000 0.202 425 E C 2.032 178.587 176.600 -0.075 0.000 1.021 425 E CA 2.289 58.665 56.400 -0.041 0.000 0.825 425 E CB -0.667 29.010 29.700 -0.038 0.000 0.756 425 E HN 0.293 nan 8.360 nan 0.000 0.454 426 V N 0.266 120.108 119.914 -0.119 0.000 2.255 426 V HA -0.315 3.725 4.120 -0.134 0.000 0.247 426 V C 2.483 178.440 176.094 -0.230 0.000 1.051 426 V CA 2.127 64.309 62.300 -0.197 0.000 1.018 426 V CB -0.909 30.757 31.823 -0.262 0.000 0.641 426 V HN 0.281 nan 8.190 nan 0.000 0.445 427 S N -0.537 115.032 115.700 -0.218 0.000 2.365 427 S HA -0.272 4.118 4.470 -0.134 0.000 0.225 427 S C 2.049 176.569 174.600 -0.133 0.000 1.039 427 S CA 1.955 60.025 58.200 -0.217 0.000 1.033 427 S CB -0.386 62.728 63.200 -0.143 0.000 0.887 427 S HN 0.544 nan 8.310 nan 0.000 0.447 428 R N 1.320 121.780 120.500 -0.067 0.000 2.080 428 R HA -0.074 4.185 4.340 -0.134 0.000 0.236 428 R C 2.090 178.405 176.300 0.026 0.000 1.137 428 R CA 1.589 57.689 56.100 0.001 0.000 0.943 428 R CB -0.639 29.677 30.300 0.027 0.000 0.846 428 R HN 0.396 nan 8.270 nan 0.000 0.431 429 N N 1.148 119.849 118.700 0.003 0.000 2.104 429 N HA -0.162 4.497 4.740 -0.134 0.000 0.190 429 N C 1.971 177.539 175.510 0.096 0.000 1.024 429 N CA 1.185 54.270 53.050 0.058 0.000 0.853 429 N CB -0.409 38.071 38.487 -0.012 0.000 1.008 429 N HN 0.209 nan 8.380 nan 0.000 0.424 430 L N 0.333 121.528 121.223 -0.046 0.000 2.127 430 L HA -0.113 4.147 4.340 -0.134 0.000 0.211 430 L C 2.276 179.197 176.870 0.085 0.000 1.089 430 L CA 1.323 56.132 54.840 -0.051 0.000 0.757 430 L CB -0.698 41.203 42.059 -0.262 0.000 0.899 430 L HN 0.257 nan 8.230 nan 0.000 0.434 431 G N -0.676 108.175 108.800 0.086 0.000 2.511 431 G HA2 -0.153 3.727 3.960 -0.134 0.000 0.217 431 G HA3 -0.153 3.727 3.960 -0.134 0.000 0.217 431 G C 1.538 176.591 174.900 0.255 0.000 1.133 431 G CA -0.023 45.225 45.100 0.247 0.000 0.792 431 G HN 0.291 nan 8.290 nan 0.000 0.539 432 K N 0.384 120.880 120.400 0.160 0.000 2.555 432 K HA 0.082 4.321 4.320 -0.134 0.000 0.193 432 K C 2.133 178.676 176.600 -0.096 0.000 1.032 432 K CA 0.068 56.392 56.287 0.062 0.000 1.004 432 K CB 0.223 32.766 32.500 0.071 0.000 0.804 432 K HN 0.245 nan 8.250 nan 0.000 0.496 433 V N 0.319 120.219 119.914 -0.023 0.000 2.453 433 V HA -0.137 3.902 4.120 -0.134 0.000 0.247 433 V C 2.346 178.244 176.094 -0.326 0.000 1.048 433 V CA 1.951 64.171 62.300 -0.133 0.000 1.049 433 V CB -0.903 30.989 31.823 0.115 0.000 0.672 433 V HN 0.433 nan 8.190 nan 0.000 0.457 434 G N 1.328 109.815 108.800 -0.523 0.000 2.628 434 G HA2 -0.332 3.548 3.960 -0.134 0.000 0.217 434 G HA3 -0.332 3.548 3.960 -0.134 0.000 0.217 434 G C 1.839 175.940 174.900 -1.330 0.000 1.240 434 G CA 1.780 46.001 45.100 -1.465 0.000 0.792 434 G HN 0.613 nan 8.290 nan 0.000 0.593 435 S N 0.250 115.389 115.700 -0.935 0.000 2.370 435 S HA -0.153 4.236 4.470 -0.134 0.000 0.226 435 S C 2.092 176.538 174.600 -0.257 0.000 1.033 435 S CA 1.907 59.929 58.200 -0.298 0.000 1.011 435 S CB -0.385 62.819 63.200 0.008 0.000 0.852 435 S HN 0.405 nan 8.310 nan 0.000 0.457 436 K N 0.312 120.548 120.400 -0.273 0.000 2.148 436 K HA 0.049 4.289 4.320 -0.134 0.000 0.204 436 K C 1.851 178.361 176.600 -0.151 0.000 1.050 436 K CA 1.274 57.429 56.287 -0.220 0.000 0.942 436 K CB -0.944 31.365 32.500 -0.318 0.000 0.724 436 K HN 0.750 nan 8.250 nan 0.000 0.446 437 c N -2.123 116.374 118.600 -0.172 0.000 2.683 437 c HA 0.305 4.795 4.570 -0.134 0.000 0.491 437 c C 2.594 176.642 174.090 -0.070 0.000 1.342 437 c CA -0.094 56.254 56.329 0.032 0.000 2.476 437 c CB -0.613 41.912 42.510 0.026 0.000 3.150 437 c HN 0.692 nan 8.230 nan 0.000 0.551 438 c N 2.120 120.601 118.600 -0.198 0.000 2.397 438 c HA -0.152 4.337 4.570 -0.134 0.000 0.282 438 c C 2.766 176.790 174.090 -0.110 0.000 1.252 438 c CA 2.184 58.423 56.329 -0.151 0.000 1.811 438 c CB -1.603 40.778 42.510 -0.215 0.000 2.027 438 c HN 0.752 nan 8.230 nan 0.000 0.503 439 K N -0.258 120.018 120.400 -0.207 0.000 2.522 439 K HA 0.073 4.313 4.320 -0.134 0.000 0.194 439 K C 0.406 176.850 176.600 -0.261 0.000 1.026 439 K CA 0.549 56.709 56.287 -0.211 0.000 1.119 439 K CB -0.594 31.759 32.500 -0.244 0.000 0.856 439 K HN 0.715 nan 8.250 nan 0.000 0.513 440 H N 0.209 119.255 119.070 -0.039 0.000 2.544 440 H HA 0.398 4.872 4.556 -0.136 0.000 0.342 440 H C -2.497 172.818 175.328 -0.022 0.000 1.185 440 H CA -2.301 53.727 56.048 -0.032 0.000 1.264 440 H CB 1.790 31.527 29.762 -0.041 0.000 1.607 440 H HN 0.111 nan 8.280 nan 0.000 0.550 441 P HA 0.090 nan 4.420 nan 0.000 0.279 441 P C 0.168 177.499 177.300 0.052 0.000 1.239 441 P CA -0.263 62.876 63.100 0.065 0.000 0.789 441 P CB 1.330 33.058 31.700 0.046 0.000 0.933 442 E N 2.179 122.401 120.200 0.037 0.000 2.253 442 E HA -0.236 4.033 4.350 -0.134 0.000 0.202 442 E C 1.991 178.608 176.600 0.028 0.000 1.014 442 E CA 2.287 58.706 56.400 0.031 0.000 0.823 442 E CB -0.611 29.106 29.700 0.028 0.000 0.736 442 E HN 0.577 nan 8.360 nan 0.000 0.478 443 A N 0.071 122.904 122.820 0.022 0.000 2.015 443 A HA -0.061 4.179 4.320 -0.134 0.000 0.219 443 A C 2.131 179.710 177.584 -0.010 0.000 1.163 443 A CA 1.986 54.031 52.037 0.014 0.000 0.646 443 A CB -0.380 18.620 19.000 0.001 0.000 0.806 443 A HN 0.247 nan 8.150 nan 0.000 0.448 444 K N -0.431 119.950 120.400 -0.031 0.000 2.402 444 K HA 0.323 4.563 4.320 -0.134 0.000 0.204 444 K C 1.740 178.275 176.600 -0.109 0.000 1.056 444 K CA 0.332 56.558 56.287 -0.102 0.000 1.069 444 K CB -0.268 32.122 32.500 -0.184 0.000 0.888 444 K HN 0.518 nan 8.250 nan 0.000 0.546 445 R N -0.393 120.095 120.500 -0.020 0.000 2.057 445 R HA 0.111 4.370 4.340 -0.134 0.000 0.229 445 R C 2.418 178.713 176.300 -0.008 0.000 1.136 445 R CA 1.635 57.741 56.100 0.010 0.000 0.952 445 R CB -0.222 30.099 30.300 0.034 0.000 0.848 445 R HN 0.456 nan 8.270 nan 0.000 0.430 446 M N 1.346 120.939 119.600 -0.010 0.000 2.065 446 M HA -0.091 4.308 4.480 -0.134 0.000 0.259 446 M C -0.859 175.426 176.300 -0.024 0.000 1.069 446 M CA 1.783 57.071 55.300 -0.020 0.000 1.110 446 M CB -0.899 31.680 32.600 -0.035 0.000 1.328 446 M HN -0.056 nan 8.290 nan 0.000 0.405 447 P HA -0.135 nan 4.420 nan 0.000 0.220 447 P C 1.743 179.025 177.300 -0.031 0.000 1.148 447 P CA 1.372 64.447 63.100 -0.042 0.000 0.803 447 P CB -0.485 31.176 31.700 -0.065 0.000 0.782 448 c N -0.011 118.562 118.600 -0.046 0.000 2.489 448 c HA 0.139 4.629 4.570 -0.134 0.000 0.279 448 c C 3.044 177.156 174.090 0.037 0.000 1.266 448 c CA 1.502 57.811 56.329 -0.033 0.000 1.707 448 c CB -1.505 40.958 42.510 -0.079 0.000 2.059 448 c HN 0.249 nan 8.230 nan 0.000 0.481 449 A N 0.019 122.861 122.820 0.037 0.000 1.832 449 A HA -0.165 4.074 4.320 -0.134 0.000 0.214 449 A C 2.146 179.791 177.584 0.101 0.000 1.200 449 A CA 1.806 53.889 52.037 0.076 0.000 0.610 449 A CB -1.187 17.838 19.000 0.041 0.000 0.842 449 A HN 0.764 nan 8.150 nan 0.000 0.444 450 E N -0.431 119.797 120.200 0.047 0.000 2.153 450 E HA -0.226 4.044 4.350 -0.134 0.000 0.194 450 E C 1.091 177.712 176.600 0.035 0.000 0.988 450 E CA 1.420 57.837 56.400 0.028 0.000 0.811 450 E CB -0.093 29.601 29.700 -0.010 0.000 0.746 450 E HN 0.530 nan 8.360 nan 0.000 0.466 451 D N -0.700 119.736 120.400 0.061 0.000 2.234 451 D HA -0.124 4.435 4.640 -0.134 0.000 0.205 451 D C 1.449 177.802 176.300 0.090 0.000 0.962 451 D CA 0.524 54.578 54.000 0.089 0.000 0.855 451 D CB -0.111 40.761 40.800 0.119 0.000 0.951 451 D HN 0.308 nan 8.370 nan 0.000 0.500 452 Y N 1.684 121.980 120.300 -0.008 0.000 2.220 452 Y HA -0.071 4.399 4.550 -0.133 0.000 0.291 452 Y C 2.090 177.963 175.900 -0.044 0.000 1.129 452 Y CA 1.053 59.139 58.100 -0.023 0.000 1.161 452 Y CB -0.461 37.985 38.460 -0.023 0.000 0.997 452 Y HN -0.138 nan 8.280 nan 0.000 0.522 453 L N -0.668 120.466 121.223 -0.150 0.000 2.131 453 L HA -0.228 4.031 4.340 -0.134 0.000 0.210 453 L C 2.360 179.093 176.870 -0.228 0.000 1.092 453 L CA 1.494 56.197 54.840 -0.227 0.000 0.759 453 L CB -0.675 41.344 42.059 -0.066 0.000 0.903 453 L HN 0.142 nan 8.230 nan 0.000 0.435 454 S N -0.742 114.866 115.700 -0.152 0.000 2.423 454 S HA -0.098 4.292 4.470 -0.134 0.000 0.231 454 S C 1.990 176.468 174.600 -0.203 0.000 1.014 454 S CA 0.802 58.919 58.200 -0.138 0.000 0.965 454 S CB -0.039 63.110 63.200 -0.085 0.000 0.785 454 S HN 0.168 nan 8.310 nan 0.000 0.495 455 V N 1.325 121.082 119.914 -0.262 0.000 2.273 455 V HA -0.103 3.937 4.120 -0.134 0.000 0.242 455 V C 2.343 178.244 176.094 -0.322 0.000 1.035 455 V CA 1.282 63.413 62.300 -0.282 0.000 1.013 455 V CB -0.783 30.876 31.823 -0.275 0.000 0.652 455 V HN 0.322 nan 8.190 nan 0.000 0.452 456 V N 0.182 119.812 119.914 -0.474 0.000 2.250 456 V HA -0.327 3.713 4.120 -0.134 0.000 0.250 456 V C 2.380 178.276 176.094 -0.329 0.000 1.060 456 V CA 2.280 64.325 62.300 -0.426 0.000 1.030 456 V CB -0.712 30.794 31.823 -0.529 0.000 0.643 456 V HN 0.442 nan 8.190 nan 0.000 0.445 457 L N 0.254 121.285 121.223 -0.321 0.000 2.079 457 L HA -0.214 4.045 4.340 -0.134 0.000 0.210 457 L C 2.440 179.191 176.870 -0.197 0.000 1.081 457 L CA 2.118 56.776 54.840 -0.304 0.000 0.752 457 L CB -0.765 41.154 42.059 -0.234 0.000 0.896 457 L HN 0.488 nan 8.230 nan 0.000 0.433 458 N N -0.025 118.577 118.700 -0.163 0.000 2.244 458 N HA -0.242 4.418 4.740 -0.134 0.000 0.183 458 N C 1.865 177.304 175.510 -0.118 0.000 1.016 458 N CA 1.158 54.141 53.050 -0.112 0.000 0.866 458 N CB 0.002 38.408 38.487 -0.135 0.000 0.980 458 N HN 0.299 nan 8.380 nan 0.000 0.430 459 Q N -0.260 119.448 119.800 -0.153 0.000 2.030 459 Q HA -0.178 4.082 4.340 -0.134 0.000 0.204 459 Q C 1.990 177.926 176.000 -0.108 0.000 0.986 459 Q CA 1.656 57.380 55.803 -0.132 0.000 0.843 459 Q CB -0.321 28.330 28.738 -0.146 0.000 0.904 459 Q HN 0.449 nan 8.270 nan 0.000 0.420 460 L N 0.583 121.720 121.223 -0.144 0.000 2.081 460 L HA -0.200 4.060 4.340 -0.134 0.000 0.212 460 L C 2.156 179.010 176.870 -0.028 0.000 1.080 460 L CA 1.866 56.634 54.840 -0.120 0.000 0.754 460 L CB -0.949 40.967 42.059 -0.238 0.000 0.893 460 L HN 0.433 nan 8.230 nan 0.000 0.433 461 c N -1.305 117.283 118.600 -0.020 0.000 2.453 461 c HA -0.095 4.394 4.570 -0.134 0.000 0.277 461 c C 2.829 176.958 174.090 0.064 0.000 1.262 461 c CA 0.923 57.289 56.329 0.062 0.000 1.718 461 c CB -1.005 41.551 42.510 0.077 0.000 2.031 461 c HN 0.638 nan 8.230 nan 0.000 0.480 462 V N -0.102 119.810 119.914 -0.003 0.000 2.358 462 V HA -0.163 3.876 4.120 -0.134 0.000 0.246 462 V C 2.176 178.265 176.094 -0.008 0.000 1.047 462 V CA 1.849 64.132 62.300 -0.028 0.000 1.035 462 V CB -1.155 30.610 31.823 -0.096 0.000 0.658 462 V HN 0.551 nan 8.190 nan 0.000 0.452 463 L N -0.005 121.215 121.223 -0.006 0.000 2.042 463 L HA -0.201 4.059 4.340 -0.134 0.000 0.210 463 L C 2.812 179.699 176.870 0.030 0.000 1.076 463 L CA 2.491 57.331 54.840 0.001 0.000 0.749 463 L CB -0.889 41.166 42.059 -0.008 0.000 0.893 463 L HN 0.484 nan 8.230 nan 0.000 0.432 464 H N 0.148 119.204 119.070 -0.023 0.000 2.321 464 H HA -0.244 4.229 4.556 -0.138 0.000 0.300 464 H C 2.193 177.518 175.328 -0.006 0.000 1.087 464 H CA 2.036 58.081 56.048 -0.006 0.000 1.319 464 H CB 0.040 29.812 29.762 0.016 0.000 1.379 464 H HN 0.280 nan 8.280 nan 0.000 0.501 465 E N 0.095 120.314 120.200 0.032 0.000 2.284 465 E HA -0.277 3.993 4.350 -0.134 0.000 0.200 465 E C 2.278 178.825 176.600 -0.088 0.000 1.008 465 E CA 1.549 57.931 56.400 -0.030 0.000 0.829 465 E CB -0.078 29.627 29.700 0.008 0.000 0.744 465 E HN 0.641 nan 8.360 nan 0.000 0.491 466 K N 0.200 120.549 120.400 -0.085 0.000 2.001 466 K HA -0.078 4.162 4.320 -0.134 0.000 0.208 466 K C 1.470 178.008 176.600 -0.104 0.000 1.048 466 K CA 1.722 57.964 56.287 -0.075 0.000 0.932 466 K CB -0.866 31.604 32.500 -0.051 0.000 0.715 466 K HN 0.311 nan 8.250 nan 0.000 0.437 467 T N -0.106 114.351 114.554 -0.161 0.000 3.209 467 T HA 0.359 4.629 4.350 -0.134 0.000 0.366 467 T C -3.138 171.367 174.700 -0.324 0.000 1.293 467 T CA -1.675 60.322 62.100 -0.171 0.000 1.417 467 T CB 1.384 70.188 68.868 -0.106 0.000 1.013 467 T HN 0.211 nan 8.240 nan 0.000 0.572 468 P HA 0.158 nan 4.420 nan 0.000 0.266 468 P C 0.898 178.082 177.300 -0.193 0.000 1.215 468 P CA -0.269 62.531 63.100 -0.501 0.000 0.763 468 P CB 1.372 32.956 31.700 -0.193 0.000 0.806 469 V N 0.568 120.441 119.914 -0.069 0.000 3.539 469 V HA 0.254 4.293 4.120 -0.134 0.000 0.262 469 V C 0.722 176.915 176.094 0.165 0.000 1.381 469 V CA 0.362 62.706 62.300 0.074 0.000 1.060 469 V CB 0.215 32.078 31.823 0.067 0.000 0.842 469 V HN 0.515 nan 8.190 nan 0.000 0.445 470 S N 1.106 117.000 115.700 0.324 0.000 2.640 470 S HA 0.383 4.772 4.470 -0.134 0.000 0.320 470 S C 0.294 174.974 174.600 0.133 0.000 1.097 470 S CA -0.231 58.072 58.200 0.173 0.000 1.092 470 S CB 1.269 64.523 63.200 0.090 0.000 0.988 470 S HN 0.441 nan 8.310 nan 0.000 0.470 471 D N 3.727 124.175 120.400 0.080 0.000 2.218 471 D HA -0.079 4.480 4.640 -0.134 0.000 0.204 471 D C 1.846 178.142 176.300 -0.006 0.000 0.976 471 D CA 1.063 55.091 54.000 0.046 0.000 0.853 471 D CB 0.062 40.878 40.800 0.026 0.000 0.939 471 D HN 0.551 nan 8.370 nan 0.000 0.481 472 R N 0.351 120.835 120.500 -0.027 0.000 2.115 472 R HA -0.029 4.231 4.340 -0.134 0.000 0.230 472 R C 1.971 178.188 176.300 -0.139 0.000 1.111 472 R CA 0.660 56.712 56.100 -0.080 0.000 0.976 472 R CB -0.236 30.029 30.300 -0.059 0.000 0.870 472 R HN 0.177 nan 8.270 nan 0.000 0.445 473 V N 0.191 120.026 119.914 -0.131 0.000 2.407 473 V HA -0.150 3.890 4.120 -0.134 0.000 0.245 473 V C 2.089 178.103 176.094 -0.132 0.000 1.041 473 V CA 1.856 64.056 62.300 -0.168 0.000 1.040 473 V CB -0.388 31.097 31.823 -0.562 0.000 0.671 473 V HN 0.314 nan 8.190 nan 0.000 0.455 474 T N 0.115 114.633 114.554 -0.060 0.000 2.684 474 T HA -0.272 3.998 4.350 -0.134 0.000 0.267 474 T C 1.914 176.606 174.700 -0.013 0.000 1.036 474 T CA 2.129 64.253 62.100 0.040 0.000 1.148 474 T CB -0.187 68.734 68.868 0.089 0.000 0.863 474 T HN 0.491 nan 8.240 nan 0.000 0.436 475 K N 0.272 120.637 120.400 -0.058 0.000 1.973 475 K HA -0.122 4.118 4.320 -0.134 0.000 0.212 475 K C 2.557 179.085 176.600 -0.119 0.000 1.047 475 K CA 1.712 57.952 56.287 -0.078 0.000 0.937 475 K CB -0.653 31.791 32.500 -0.094 0.000 0.721 475 K HN 0.292 nan 8.250 nan 0.000 0.440 476 c N 0.872 119.320 118.600 -0.253 0.000 2.403 476 c HA -0.175 4.315 4.570 -0.134 0.000 0.277 476 c C 3.010 176.998 174.090 -0.170 0.000 1.248 476 c CA 0.806 56.906 56.329 -0.383 0.000 1.762 476 c CB -1.060 40.824 42.510 -1.043 0.000 2.014 476 c HN 0.684 nan 8.230 nan 0.000 0.486 477 c N 0.380 118.952 118.600 -0.046 0.000 2.453 477 c HA -0.076 4.414 4.570 -0.134 0.000 0.277 477 c C 2.910 177.090 174.090 0.150 0.000 1.262 477 c CA 1.911 58.307 56.329 0.111 0.000 1.718 477 c CB -1.530 41.062 42.510 0.135 0.000 2.031 477 c HN 0.826 nan 8.230 nan 0.000 0.480 478 T N -1.561 113.043 114.554 0.084 0.000 3.035 478 T HA -0.025 4.245 4.350 -0.134 0.000 0.259 478 T C 1.496 176.260 174.700 0.108 0.000 1.078 478 T CA 0.901 63.049 62.100 0.080 0.000 1.132 478 T CB -0.366 68.505 68.868 0.004 0.000 0.900 478 T HN 0.573 nan 8.240 nan 0.000 0.480 479 E N 1.227 121.465 120.200 0.064 0.000 2.051 479 E HA -0.010 4.260 4.350 -0.134 0.000 0.192 479 E C 0.604 177.269 176.600 0.110 0.000 0.991 479 E CA 0.953 57.386 56.400 0.056 0.000 0.799 479 E CB 0.074 29.774 29.700 -0.000 0.000 0.748 479 E HN 0.448 nan 8.360 nan 0.000 0.449 480 S N -1.023 114.745 115.700 0.112 0.000 2.603 480 S HA 0.147 4.536 4.470 -0.134 0.000 0.274 480 S C 0.034 174.613 174.600 -0.034 0.000 1.168 480 S CA -0.702 57.545 58.200 0.078 0.000 0.963 480 S CB 1.390 64.596 63.200 0.010 0.000 1.078 480 S HN 0.134 nan 8.310 nan 0.000 0.477 481 L N 6.236 127.283 121.223 -0.294 0.000 2.017 481 L HA 0.097 4.357 4.340 -0.134 0.000 0.208 481 L C 1.951 178.636 176.870 -0.309 0.000 1.073 481 L CA 2.217 56.664 54.840 -0.654 0.000 0.745 481 L CB -0.625 40.557 42.059 -1.462 0.000 0.894 481 L HN 0.671 nan 8.230 nan 0.000 0.432 482 V N -0.418 119.368 119.914 -0.214 0.000 2.809 482 V HA -0.188 3.852 4.120 -0.134 0.000 0.256 482 V C 1.740 177.787 176.094 -0.079 0.000 1.080 482 V CA 1.891 64.121 62.300 -0.116 0.000 1.102 482 V CB -1.055 30.718 31.823 -0.084 0.000 0.705 482 V HN 0.540 nan 8.190 nan 0.000 0.475 483 N N -0.621 118.037 118.700 -0.069 0.000 2.280 483 N HA 0.106 4.766 4.740 -0.134 0.000 0.192 483 N C 1.758 177.252 175.510 -0.027 0.000 1.109 483 N CA -0.275 52.746 53.050 -0.047 0.000 0.855 483 N CB 0.143 38.603 38.487 -0.045 0.000 0.974 483 N HN 0.399 nan 8.380 nan 0.000 0.482 484 R N 1.058 121.552 120.500 -0.009 0.000 2.112 484 R HA -0.143 4.117 4.340 -0.134 0.000 0.242 484 R C 2.193 178.601 176.300 0.181 0.000 1.137 484 R CA 1.272 57.415 56.100 0.073 0.000 0.944 484 R CB -0.208 30.167 30.300 0.124 0.000 0.857 484 R HN 0.166 nan 8.270 nan 0.000 0.435 485 R N 0.672 121.248 120.500 0.128 0.000 2.080 485 R HA -0.101 4.158 4.340 -0.134 0.000 0.236 485 R C -0.817 175.558 176.300 0.124 0.000 1.137 485 R CA 1.788 57.975 56.100 0.145 0.000 0.943 485 R CB -1.370 28.963 30.300 0.056 0.000 0.846 485 R HN 0.179 nan 8.270 nan 0.000 0.431 486 P HA -0.075 nan 4.420 nan 0.000 0.218 486 P C 1.599 178.897 177.300 -0.003 0.000 1.149 486 P CA 0.854 63.962 63.100 0.014 0.000 0.817 486 P CB -0.233 31.455 31.700 -0.020 0.000 0.785 487 c N -2.039 116.540 118.600 -0.035 0.000 2.425 487 c HA -0.106 4.383 4.570 -0.134 0.000 0.277 487 c C 2.319 176.294 174.090 -0.191 0.000 1.280 487 c CA 0.702 56.946 56.329 -0.143 0.000 1.744 487 c CB -2.098 40.270 42.510 -0.236 0.000 1.989 487 c HN 0.062 nan 8.230 nan 0.000 0.491 488 F N 1.073 121.011 119.950 -0.019 0.000 2.187 488 F HA 0.000 4.449 4.527 -0.130 0.000 0.295 488 F C 2.759 178.520 175.800 -0.065 0.000 1.091 488 F CA 1.741 59.730 58.000 -0.017 0.000 1.308 488 F CB -0.718 38.327 39.000 0.075 0.000 1.030 488 F HN 0.071 nan 8.300 nan 0.000 0.487 489 S N -0.093 115.691 115.700 0.141 0.000 2.400 489 S HA -0.192 4.197 4.470 -0.134 0.000 0.232 489 S C 2.277 176.867 174.600 -0.017 0.000 1.025 489 S CA 1.012 59.237 58.200 0.043 0.000 0.993 489 S CB -0.590 62.638 63.200 0.048 0.000 0.808 489 S HN 0.359 nan 8.310 nan 0.000 0.478 490 A N 0.899 123.703 122.820 -0.026 0.000 2.014 490 A HA 0.182 4.422 4.320 -0.134 0.000 0.218 490 A C 0.887 178.432 177.584 -0.064 0.000 1.163 490 A CA 0.476 52.484 52.037 -0.048 0.000 0.652 490 A CB -0.421 18.544 19.000 -0.058 0.000 0.808 490 A HN 0.421 nan 8.150 nan 0.000 0.449 491 L N -0.188 120.989 121.223 -0.076 0.000 2.456 491 L HA 0.155 4.414 4.340 -0.134 0.000 0.272 491 L C 1.315 178.130 176.870 -0.091 0.000 1.189 491 L CA -0.331 54.459 54.840 -0.084 0.000 0.846 491 L CB 0.586 42.598 42.059 -0.078 0.000 1.111 491 L HN 0.374 nan 8.230 nan 0.000 0.475 492 E N 2.277 122.431 120.200 -0.077 0.000 2.587 492 E HA 0.231 4.500 4.350 -0.134 0.000 0.260 492 E C -0.834 175.719 176.600 -0.078 0.000 0.928 492 E CA 0.141 56.496 56.400 -0.075 0.000 1.084 492 E CB 0.652 30.321 29.700 -0.050 0.000 2.100 492 E HN 0.272 nan 8.360 nan 0.000 0.551 493 V N 0.915 120.799 119.914 -0.050 0.000 2.612 493 V HA 0.426 4.466 4.120 -0.134 0.000 0.301 493 V C -1.179 174.909 176.094 -0.011 0.000 1.059 493 V CA -0.940 61.339 62.300 -0.036 0.000 0.886 493 V CB 1.659 33.469 31.823 -0.022 0.000 1.007 493 V HN 0.353 nan 8.190 nan 0.000 0.426 494 D N 4.121 124.520 120.400 -0.003 0.000 2.472 494 D HA 0.064 4.624 4.640 -0.134 0.000 0.248 494 D C 0.914 177.251 176.300 0.062 0.000 1.174 494 D CA 0.635 54.653 54.000 0.030 0.000 0.883 494 D CB 1.331 42.159 40.800 0.046 0.000 1.149 494 D HN 0.837 nan 8.370 nan 0.000 0.488 495 E N 1.078 121.303 120.200 0.042 0.000 2.474 495 E HA -0.027 4.242 4.350 -0.134 0.000 0.195 495 E C 1.387 178.011 176.600 0.039 0.000 1.039 495 E CA 0.224 56.646 56.400 0.036 0.000 0.881 495 E CB 0.395 30.104 29.700 0.015 0.000 0.970 495 E HN 0.513 nan 8.360 nan 0.000 0.486 496 T N -2.127 112.462 114.554 0.058 0.000 3.023 496 T HA -0.005 4.264 4.350 -0.134 0.000 0.253 496 T C 0.400 175.145 174.700 0.075 0.000 1.038 496 T CA -0.501 61.627 62.100 0.047 0.000 0.962 496 T CB -0.269 68.622 68.868 0.039 0.000 1.018 496 T HN 0.075 nan 8.240 nan 0.000 0.521 497 Y N 2.476 122.771 120.300 -0.008 0.000 2.597 497 Y HA 0.433 4.904 4.550 -0.132 0.000 0.336 497 Y C -0.216 175.676 175.900 -0.012 0.000 1.216 497 Y CA -1.389 56.707 58.100 -0.006 0.000 1.463 497 Y CB 0.748 39.206 38.460 -0.004 0.000 1.303 497 Y HN 0.059 nan 8.280 nan 0.000 0.576 498 V N 9.438 128.873 119.914 -0.799 0.000 2.334 498 V HA 0.453 4.492 4.120 -0.134 0.000 0.281 498 V C -2.440 173.024 176.094 -1.049 0.000 1.016 498 V CA -2.583 59.310 62.300 -0.678 0.000 0.832 498 V CB 0.751 32.384 31.823 -0.317 0.000 0.999 498 V HN 0.811 nan 8.190 nan 0.000 0.439 499 P HA -0.048 nan 4.420 nan 0.000 0.261 499 P C -0.335 176.779 177.300 -0.310 0.000 1.158 499 P CA 0.617 63.428 63.100 -0.482 0.000 0.758 499 P CB 0.275 31.796 31.700 -0.299 0.000 0.763 500 K N 2.435 122.783 120.400 -0.087 0.000 2.230 500 K HA 0.100 4.339 4.320 -0.134 0.000 0.253 500 K C 0.363 176.955 176.600 -0.014 0.000 1.008 500 K CA -0.120 56.183 56.287 0.027 0.000 0.910 500 K CB 0.388 33.001 32.500 0.188 0.000 0.994 500 K HN 0.412 nan 8.250 nan 0.000 0.495 501 E N 1.649 121.908 120.200 0.099 0.000 2.179 501 E HA 0.117 4.387 4.350 -0.134 0.000 0.275 501 E C -0.828 175.966 176.600 0.324 0.000 0.945 501 E CA -0.615 55.901 56.400 0.194 0.000 0.792 501 E CB 0.899 30.664 29.700 0.107 0.000 1.125 501 E HN 0.359 nan 8.360 nan 0.000 0.397 502 F N 3.746 123.893 119.950 0.328 0.000 2.572 502 F HA 0.045 4.492 4.527 -0.134 0.000 0.370 502 F C 0.662 176.502 175.800 0.067 0.000 1.103 502 F CA 0.380 58.471 58.000 0.151 0.000 1.286 502 F CB 0.430 39.461 39.000 0.052 0.000 1.105 502 F HN 0.388 nan 8.300 nan 0.000 0.583 503 N N 5.673 123.973 118.700 -0.667 0.000 2.932 503 N HA 0.223 4.882 4.740 -0.134 0.000 0.242 503 N C 0.113 175.180 175.510 -0.738 0.000 1.351 503 N CA 0.024 52.810 53.050 -0.440 0.000 0.785 503 N CB 0.780 39.165 38.487 -0.169 0.000 1.501 503 N HN 0.875 nan 8.380 nan 0.000 0.584 504 A N 3.196 125.518 122.820 -0.830 0.000 2.028 504 A HA -0.398 3.842 4.320 -0.134 0.000 0.296 504 A C 1.745 178.858 177.584 -0.785 0.000 3.464 504 A CA 2.483 54.070 52.037 -0.751 0.000 1.008 504 A CB -1.143 17.716 19.000 -0.236 0.000 0.658 504 A HN 0.780 nan 8.150 nan 0.000 0.482 505 E N -0.967 118.979 120.200 -0.422 0.000 2.271 505 E HA -0.237 4.032 4.350 -0.134 0.000 0.209 505 E C 1.978 178.390 176.600 -0.313 0.000 1.046 505 E CA 1.700 57.915 56.400 -0.309 0.000 0.840 505 E CB -1.408 28.192 29.700 -0.167 0.000 0.738 505 E HN 0.788 nan 8.360 nan 0.000 0.470 506 T N 0.761 115.106 114.554 -0.348 0.000 2.649 506 T HA -0.208 4.061 4.350 -0.134 0.000 0.268 506 T C 0.836 175.457 174.700 -0.132 0.000 1.036 506 T CA 1.785 63.764 62.100 -0.202 0.000 1.157 506 T CB -0.394 68.369 68.868 -0.174 0.000 0.861 506 T HN 0.306 nan 8.240 nan 0.000 0.445 507 F N 1.208 120.986 119.950 -0.287 0.000 2.430 507 F HA 0.678 5.124 4.527 -0.135 0.000 0.362 507 F C -0.397 175.127 175.800 -0.461 0.000 1.103 507 F CA -1.356 56.450 58.000 -0.324 0.000 1.045 507 F CB 0.408 39.207 39.000 -0.335 0.000 1.276 507 F HN -0.342 nan 8.300 nan 0.000 0.444 508 T N 3.223 117.611 114.554 -0.276 0.000 2.882 508 T HA 0.295 4.565 4.350 -0.134 0.000 0.287 508 T C 0.510 175.078 174.700 -0.220 0.000 1.014 508 T CA 0.081 62.008 62.100 -0.287 0.000 1.049 508 T CB 0.764 69.526 68.868 -0.177 0.000 1.001 508 T HN 0.582 nan 8.240 nan 0.000 0.525 509 F N -0.725 119.173 119.950 -0.087 0.000 2.694 509 F HA 0.184 4.631 4.527 -0.133 0.000 0.292 509 F C 1.269 176.957 175.800 -0.186 0.000 1.121 509 F CA -0.479 57.576 58.000 0.092 0.000 1.352 509 F CB -0.114 39.110 39.000 0.373 0.000 1.107 509 F HN 0.510 nan 8.300 nan 0.000 0.597 510 H N 1.030 120.113 119.070 0.020 0.000 3.083 510 H HA -0.163 4.312 4.556 -0.135 0.000 0.271 510 H C 1.470 176.433 175.328 -0.610 0.000 0.847 510 H CA 0.480 56.395 56.048 -0.222 0.000 1.403 510 H CB 0.181 29.880 29.762 -0.106 0.000 1.212 510 H HN 0.331 nan 8.280 nan 0.000 0.552 511 A N 4.032 126.389 122.820 -0.771 0.000 2.186 511 A HA -0.196 4.044 4.320 -0.134 0.000 0.219 511 A C 2.021 179.413 177.584 -0.320 0.000 1.159 511 A CA 1.251 52.673 52.037 -1.025 0.000 0.680 511 A CB -0.263 18.492 19.000 -0.407 0.000 0.787 511 A HN 0.833 nan 8.150 nan 0.000 0.467 512 D N 0.221 120.525 120.400 -0.161 0.000 2.357 512 D HA -0.167 4.393 4.640 -0.134 0.000 0.216 512 D C 1.381 177.679 176.300 -0.002 0.000 0.973 512 D CA 1.539 55.510 54.000 -0.048 0.000 0.912 512 D CB -0.891 39.894 40.800 -0.024 0.000 0.900 512 D HN 0.569 nan 8.370 nan 0.000 0.501 513 I N 0.244 120.820 120.570 0.010 0.000 2.830 513 I HA -0.058 4.031 4.170 -0.134 0.000 0.263 513 I C 2.534 178.715 176.117 0.106 0.000 1.230 513 I CA 0.885 62.237 61.300 0.086 0.000 1.480 513 I CB -1.293 nan 38.000 nan 0.000 1.095 513 I HN 0.322 nan 8.210 nan 0.000 0.455 514 c N -0.284 118.381 118.600 0.108 0.000 2.539 514 c HA 0.082 4.571 4.570 -0.134 0.000 0.271 514 c C 2.701 176.831 174.090 0.066 0.000 1.412 514 c CA 1.393 57.787 56.329 0.107 0.000 1.729 514 c CB -1.835 40.754 42.510 0.131 0.000 1.739 514 c HN 0.761 nan 8.230 nan 0.000 0.570 515 T N -0.433 114.152 114.554 0.051 0.000 3.000 515 T HA 0.269 4.538 4.350 -0.134 0.000 0.248 515 T C 0.574 175.296 174.700 0.036 0.000 1.034 515 T CA 0.021 62.143 62.100 0.038 0.000 1.060 515 T CB -0.032 68.853 68.868 0.028 0.000 0.983 515 T HN 0.315 nan 8.240 nan 0.000 0.482 516 L N 3.436 124.684 121.223 0.041 0.000 2.483 516 L HA 0.241 4.500 4.340 -0.134 0.000 0.276 516 L C 1.122 178.014 176.870 0.036 0.000 1.213 516 L CA -0.587 54.276 54.840 0.039 0.000 0.843 516 L CB 0.511 42.598 42.059 0.046 0.000 1.107 516 L HN 0.361 nan 8.230 nan 0.000 0.487 517 S N 0.599 116.318 115.700 0.032 0.000 2.572 517 S HA -0.085 4.305 4.470 -0.134 0.000 0.262 517 S C 0.942 175.556 174.600 0.023 0.000 1.375 517 S CA -0.171 58.045 58.200 0.026 0.000 0.996 517 S CB 0.748 63.964 63.200 0.026 0.000 0.892 517 S HN 0.699 nan 8.310 nan 0.000 0.562 518 E N 1.475 121.682 120.200 0.013 0.000 2.118 518 E HA -0.124 4.145 4.350 -0.134 0.000 0.195 518 E C 2.263 178.861 176.600 -0.002 0.000 0.992 518 E CA 2.279 58.679 56.400 -0.002 0.000 0.804 518 E CB -0.905 28.787 29.700 -0.014 0.000 0.741 518 E HN 0.793 nan 8.360 nan 0.000 0.458 519 K N 1.205 121.612 120.400 0.012 0.000 1.985 519 K HA -0.102 4.137 4.320 -0.134 0.000 0.210 519 K C 2.098 178.720 176.600 0.036 0.000 1.047 519 K CA 1.684 57.985 56.287 0.024 0.000 0.932 519 K CB -1.161 31.359 32.500 0.034 0.000 0.716 519 K HN 0.405 nan 8.250 nan 0.000 0.439 520 E N -0.531 119.692 120.200 0.039 0.000 2.463 520 E HA -0.128 4.141 4.350 -0.134 0.000 0.201 520 E C 2.187 178.819 176.600 0.053 0.000 1.045 520 E CA 0.533 56.960 56.400 0.046 0.000 0.872 520 E CB 0.014 29.740 29.700 0.043 0.000 0.797 520 E HN 0.494 nan 8.360 nan 0.000 0.538 521 R N 0.670 121.197 120.500 0.045 0.000 2.090 521 R HA -0.051 4.209 4.340 -0.134 0.000 0.219 521 R C 2.147 178.480 176.300 0.055 0.000 1.100 521 R CA 0.792 56.923 56.100 0.052 0.000 0.991 521 R CB 0.205 30.525 30.300 0.035 0.000 0.893 521 R HN 0.085 nan 8.270 nan 0.000 0.443 522 Q N 0.351 120.171 119.800 0.032 0.000 2.020 522 Q HA -0.150 4.109 4.340 -0.134 0.000 0.202 522 Q C 2.126 178.206 176.000 0.133 0.000 0.982 522 Q CA 1.894 57.736 55.803 0.065 0.000 0.838 522 Q CB -0.100 28.659 28.738 0.035 0.000 0.899 522 Q HN 0.383 nan 8.270 nan 0.000 0.423 523 I N 1.002 121.632 120.570 0.100 0.000 2.236 523 I HA -0.356 3.733 4.170 -0.134 0.000 0.249 523 I C 2.748 178.909 176.117 0.074 0.000 1.102 523 I CA 1.786 63.138 61.300 0.085 0.000 1.365 523 I CB -0.594 37.444 38.000 0.064 0.000 1.051 523 I HN 0.228 nan 8.210 nan 0.000 0.420 524 K N 1.157 121.603 120.400 0.076 0.000 2.155 524 K HA -0.129 4.111 4.320 -0.134 0.000 0.203 524 K C 1.996 178.637 176.600 0.068 0.000 1.052 524 K CA 1.281 57.611 56.287 0.072 0.000 0.948 524 K CB -0.571 31.984 32.500 0.092 0.000 0.728 524 K HN 0.386 nan 8.250 nan 0.000 0.448 525 K N 0.074 120.531 120.400 0.094 0.000 2.025 525 K HA -0.118 4.122 4.320 -0.134 0.000 0.207 525 K C 2.663 179.305 176.600 0.070 0.000 1.049 525 K CA 1.565 57.911 56.287 0.098 0.000 0.933 525 K CB -0.037 32.559 32.500 0.162 0.000 0.714 525 K HN 0.502 nan 8.250 nan 0.000 0.438 526 Q N 0.088 119.941 119.800 0.090 0.000 2.084 526 Q HA -0.122 4.138 4.340 -0.134 0.000 0.202 526 Q C 2.026 178.031 176.000 0.009 0.000 0.978 526 Q CA 1.853 57.681 55.803 0.043 0.000 0.844 526 Q CB -0.113 28.658 28.738 0.056 0.000 0.898 526 Q HN 0.255 nan 8.270 nan 0.000 0.426 527 T N 0.588 115.151 114.554 0.015 0.000 2.849 527 T HA -0.172 4.097 4.350 -0.134 0.000 0.270 527 T C 1.692 176.375 174.700 -0.029 0.000 1.066 527 T CA 1.054 63.153 62.100 -0.001 0.000 1.130 527 T CB -0.188 68.686 68.868 0.011 0.000 0.864 527 T HN 0.399 nan 8.240 nan 0.000 0.481 528 A N 1.253 124.044 122.820 -0.048 0.000 1.854 528 A HA 0.086 4.326 4.320 -0.134 0.000 0.214 528 A C 2.176 179.697 177.584 -0.105 0.000 1.192 528 A CA 0.969 52.931 52.037 -0.125 0.000 0.611 528 A CB -0.871 18.043 19.000 -0.144 0.000 0.832 528 A HN 0.394 nan 8.150 nan 0.000 0.442 529 L N 0.215 121.400 121.223 -0.062 0.000 2.043 529 L HA -0.170 4.090 4.340 -0.134 0.000 0.212 529 L C 2.394 179.241 176.870 -0.038 0.000 1.075 529 L CA 2.030 56.840 54.840 -0.049 0.000 0.752 529 L CB -0.574 41.461 42.059 -0.040 0.000 0.891 529 L HN 0.169 nan 8.230 nan 0.000 0.432 530 V N -0.460 119.435 119.914 -0.032 0.000 2.295 530 V HA -0.254 3.786 4.120 -0.134 0.000 0.246 530 V C 2.641 178.732 176.094 -0.006 0.000 1.049 530 V CA 1.874 64.162 62.300 -0.020 0.000 1.024 530 V CB -0.662 31.150 31.823 -0.019 0.000 0.648 530 V HN 0.453 nan 8.190 nan 0.000 0.447 531 E N 0.016 120.209 120.200 -0.011 0.000 2.160 531 E HA -0.195 4.074 4.350 -0.134 0.000 0.195 531 E C 2.250 178.876 176.600 0.043 0.000 0.991 531 E CA 1.665 58.075 56.400 0.018 0.000 0.810 531 E CB -0.584 29.111 29.700 -0.009 0.000 0.742 531 E HN 0.601 nan 8.360 nan 0.000 0.466 532 L N 0.374 121.593 121.223 -0.006 0.000 1.988 532 L HA -0.114 4.145 4.340 -0.134 0.000 0.207 532 L C 2.889 179.810 176.870 0.085 0.000 1.071 532 L CA 2.040 56.891 54.840 0.018 0.000 0.744 532 L CB -1.656 nan 42.059 nan 0.000 0.893 532 L HN 0.091 nan 8.230 nan 0.000 0.433 533 V N -0.383 119.560 119.914 0.049 0.000 2.453 533 V HA -0.331 3.708 4.120 -0.134 0.000 0.252 533 V C 2.709 178.861 176.094 0.097 0.000 1.068 533 V CA 2.226 64.559 62.300 0.055 0.000 1.070 533 V CB -1.077 30.752 31.823 0.010 0.000 0.664 533 V HN 0.731 nan 8.190 nan 0.000 0.461 534 K N -1.105 119.360 120.400 0.109 0.000 2.288 534 K HA -0.116 4.123 4.320 -0.134 0.000 0.201 534 K C 2.119 178.911 176.600 0.319 0.000 1.048 534 K CA 0.890 57.279 56.287 0.169 0.000 0.956 534 K CB -0.168 32.405 32.500 0.122 0.000 0.746 534 K HN 0.536 nan 8.250 nan 0.000 0.461 535 H N 0.232 119.400 119.070 0.163 0.000 2.562 535 H HA 0.073 4.548 4.556 -0.135 0.000 0.267 535 H C 0.037 175.434 175.328 0.115 0.000 0.959 535 H CA 0.947 57.085 56.048 0.150 0.000 1.204 535 H CB 0.708 30.562 29.762 0.155 0.000 1.430 535 H HN -0.008 nan 8.280 nan 0.000 0.545 536 K N 0.814 121.339 120.400 0.208 0.000 3.207 536 K HA 0.308 4.548 4.320 -0.134 0.000 0.166 536 K C -2.595 174.068 176.600 0.105 0.000 1.079 536 K CA -1.050 55.319 56.287 0.136 0.000 0.818 536 K CB 0.510 33.102 32.500 0.152 0.000 0.967 536 K HN 0.120 nan 8.250 nan 0.000 0.594 537 P HA -0.252 nan 4.420 nan 0.000 0.212 537 P C 2.177 179.516 177.300 0.064 0.000 1.178 537 P CA 2.773 65.939 63.100 0.110 0.000 0.915 537 P CB 0.322 32.138 31.700 0.194 0.000 0.788 538 K N 0.239 120.671 120.400 0.054 0.000 1.965 538 K HA 0.040 4.279 4.320 -0.134 0.000 0.218 538 K C 1.630 178.245 176.600 0.026 0.000 1.048 538 K CA 1.585 57.891 56.287 0.032 0.000 0.960 538 K CB -1.933 30.580 32.500 0.021 0.000 0.732 538 K HN 0.295 nan 8.250 nan 0.000 0.444 539 A N 1.371 124.207 122.820 0.027 0.000 2.517 539 A HA 0.445 4.684 4.320 -0.134 0.000 0.284 539 A C 0.362 177.962 177.584 0.026 0.000 1.195 539 A CA 1.307 53.359 52.037 0.024 0.000 0.873 539 A CB -1.301 17.716 19.000 0.029 0.000 1.055 539 A HN 0.956 nan 8.150 nan 0.000 0.538 540 T N 0.425 114.989 114.554 0.017 0.000 3.142 540 T HA 0.571 4.840 4.350 -0.134 0.000 0.379 540 T C -0.110 174.594 174.700 0.006 0.000 1.820 540 T CA 0.902 63.010 62.100 0.013 0.000 1.086 540 T CB 0.034 68.912 68.868 0.016 0.000 1.723 540 T HN 1.679 nan 8.240 nan 0.000 0.496 541 K N 2.024 122.425 120.400 0.002 0.000 3.114 541 K HA 0.499 4.739 4.320 -0.134 0.000 0.265 541 K C 0.493 177.092 176.600 -0.002 0.000 2.535 541 K CA 0.763 57.049 56.287 -0.000 0.000 1.519 541 K CB -0.251 32.250 32.500 0.002 0.000 2.789 541 K HN 0.673 nan 8.250 nan 0.000 0.450 542 E N 0.607 120.807 120.200 -0.000 0.000 2.794 542 E HA 0.032 4.302 4.350 -0.134 0.000 0.203 542 E C 0.729 177.330 176.600 0.001 0.000 0.953 542 E CA 0.341 56.741 56.400 -0.000 0.000 1.284 542 E CB 1.293 30.994 29.700 0.002 0.000 1.077 542 E HN 0.624 nan 8.360 nan 0.000 0.508 543 Q N 0.463 120.265 119.800 0.002 0.000 2.403 543 Q HA 0.165 4.424 4.340 -0.134 0.000 0.203 543 Q C 1.385 177.386 176.000 0.002 0.000 0.932 543 Q CA 0.171 55.976 55.803 0.004 0.000 0.945 543 Q CB -0.067 28.674 28.738 0.005 0.000 1.045 543 Q HN 0.230 nan 8.270 nan 0.000 0.511 544 L N 0.550 121.773 121.223 -0.000 0.000 2.713 544 L HA 0.074 4.334 4.340 -0.134 0.000 0.245 544 L C 1.877 178.744 176.870 -0.005 0.000 1.169 544 L CA 0.741 55.578 54.840 -0.005 0.000 0.962 544 L CB -0.163 41.890 42.059 -0.010 0.000 1.161 544 L HN 0.405 nan 8.230 nan 0.000 0.427 545 K N -0.946 119.454 120.400 0.000 0.000 2.443 545 K HA 0.350 4.590 4.320 -0.134 0.000 0.200 545 K C 1.938 178.544 176.600 0.009 0.000 1.278 545 K CA 0.570 56.860 56.287 0.006 0.000 0.925 545 K CB -0.354 32.151 32.500 0.009 0.000 1.225 545 K HN 0.198 nan 8.250 nan 0.000 0.514 546 A N 0.841 123.665 122.820 0.006 0.000 2.148 546 A HA 0.034 4.273 4.320 -0.134 0.000 0.222 546 A C 2.203 179.789 177.584 0.004 0.000 1.161 546 A CA 2.104 54.144 52.037 0.006 0.000 0.662 546 A CB -0.438 18.564 19.000 0.004 0.000 0.799 546 A HN 0.368 nan 8.150 nan 0.000 0.466 547 V N -1.819 118.094 119.914 -0.001 0.000 2.911 547 V HA -0.022 4.018 4.120 -0.134 0.000 0.237 547 V C 2.347 178.439 176.094 -0.003 0.000 1.156 547 V CA 0.931 63.224 62.300 -0.011 0.000 1.180 547 V CB -0.350 31.456 31.823 -0.028 0.000 0.932 547 V HN 0.388 nan 8.190 nan 0.000 0.483 548 M N 0.271 119.872 119.600 0.003 0.000 2.132 548 M HA -0.116 4.283 4.480 -0.134 0.000 0.263 548 M C 1.905 178.233 176.300 0.046 0.000 1.065 548 M CA 1.614 56.928 55.300 0.022 0.000 1.122 548 M CB -1.224 31.389 32.600 0.022 0.000 1.365 548 M HN 0.294 nan 8.290 nan 0.000 0.411 549 D N 1.169 121.592 120.400 0.039 0.000 2.158 549 D HA -0.149 4.411 4.640 -0.134 0.000 0.197 549 D C 1.781 178.111 176.300 0.051 0.000 0.995 549 D CA 1.988 56.016 54.000 0.046 0.000 0.846 549 D CB -0.450 40.370 40.800 0.033 0.000 0.941 549 D HN 0.621 nan 8.370 nan 0.000 0.456 550 D N -0.871 119.556 120.400 0.045 0.000 2.249 550 D HA 0.000 4.560 4.640 -0.134 0.000 0.205 550 D C 2.150 178.507 176.300 0.095 0.000 0.962 550 D CA 1.063 55.098 54.000 0.058 0.000 0.860 550 D CB -1.198 nan 40.800 nan 0.000 0.955 550 D HN 0.347 nan 8.370 nan 0.000 0.505 551 F N 0.907 120.902 119.950 0.076 0.000 2.171 551 F HA 0.309 4.755 4.527 -0.134 0.000 0.300 551 F C 3.021 178.930 175.800 0.182 0.000 1.090 551 F CA 1.906 59.968 58.000 0.103 0.000 1.293 551 F CB -1.071 nan 39.000 nan 0.000 1.013 551 F HN 0.554 nan 8.300 nan 0.000 0.486 552 A N 0.336 123.232 122.820 0.127 0.000 1.845 552 A HA 0.144 4.383 4.320 -0.134 0.000 0.215 552 A C 2.699 180.342 177.584 0.099 0.000 1.195 552 A CA 2.323 54.426 52.037 0.110 0.000 0.616 552 A CB -1.604 17.444 19.000 0.081 0.000 0.832 552 A HN 1.426 nan 8.150 nan 0.000 0.443 553 A N -0.811 122.062 122.820 0.087 0.000 1.903 553 A HA -0.190 4.049 4.320 -0.134 0.000 0.219 553 A C 2.042 179.661 177.584 0.058 0.000 1.191 553 A CA 2.040 54.112 52.037 0.058 0.000 0.638 553 A CB -0.955 18.080 19.000 0.059 0.000 0.823 553 A HN 0.823 nan 8.150 nan 0.000 0.451 554 F N 1.106 121.048 119.950 -0.013 0.000 2.015 554 F HA -0.273 4.173 4.527 -0.135 0.000 0.297 554 F C 2.301 178.064 175.800 -0.063 0.000 1.141 554 F CA 2.599 60.581 58.000 -0.031 0.000 1.192 554 F CB -0.838 38.169 39.000 0.011 0.000 0.957 554 F HN 0.055 nan 8.300 nan 0.000 0.491 555 V N 0.753 120.617 119.914 -0.083 0.000 2.278 555 V HA -0.382 3.657 4.120 -0.134 0.000 0.251 555 V C 2.386 178.350 176.094 -0.216 0.000 1.062 555 V CA 2.369 64.566 62.300 -0.171 0.000 1.038 555 V CB -1.218 30.666 31.823 0.103 0.000 0.646 555 V HN 0.585 nan 8.190 nan 0.000 0.447 556 E N 0.435 120.566 120.200 -0.115 0.000 2.331 556 E HA -0.230 4.039 4.350 -0.134 0.000 0.199 556 E C 1.559 178.072 176.600 -0.145 0.000 1.008 556 E CA 1.053 57.397 56.400 -0.093 0.000 0.843 556 E CB -0.014 29.659 29.700 -0.046 0.000 0.761 556 E HN 0.626 nan 8.360 nan 0.000 0.507 557 K N -0.893 119.360 120.400 -0.246 0.000 2.498 557 K HA 0.157 4.397 4.320 -0.134 0.000 0.207 557 K C 0.365 176.763 176.600 -0.336 0.000 1.033 557 K CA -0.290 55.848 56.287 -0.249 0.000 1.138 557 K CB 0.574 32.943 32.500 -0.219 0.000 0.860 557 K HN 0.060 nan 8.250 nan 0.000 0.490 558 c N -1.282 117.075 118.600 -0.404 0.000 4.259 558 c HA 0.141 4.630 4.570 -0.134 0.000 0.404 558 c C 1.944 175.927 174.090 -0.179 0.000 1.673 558 c CA -0.256 55.805 56.329 -0.447 0.000 2.002 558 c CB -0.225 41.645 42.510 -1.065 0.000 3.094 558 c HN 0.625 nan 8.230 nan 0.000 0.681 559 c N 0.650 119.193 118.600 -0.095 0.000 2.504 559 c HA 0.170 4.660 4.570 -0.134 0.000 0.279 559 c C 2.870 176.973 174.090 0.021 0.000 1.358 559 c CA 1.631 57.994 56.329 0.056 0.000 1.747 559 c CB -0.761 41.794 42.510 0.076 0.000 2.037 559 c HN 0.714 nan 8.230 nan 0.000 0.503 560 K N 0.412 120.797 120.400 -0.025 0.000 2.361 560 K HA 0.566 4.805 4.320 -0.134 0.000 0.196 560 K C 0.907 177.494 176.600 -0.023 0.000 1.039 560 K CA 0.960 57.234 56.287 -0.020 0.000 1.001 560 K CB -0.488 31.993 32.500 -0.032 0.000 0.795 560 K HN 0.549 nan 8.250 nan 0.000 0.495 561 A N 1.034 123.830 122.820 -0.039 0.000 2.425 561 A HA 0.443 4.683 4.320 -0.134 0.000 0.249 561 A C 1.366 178.945 177.584 -0.008 0.000 1.084 561 A CA 0.405 52.421 52.037 -0.035 0.000 0.781 561 A CB -0.378 18.585 19.000 -0.062 0.000 1.019 561 A HN 0.636 nan 8.150 nan 0.000 0.490 562 D N 1.685 122.081 120.400 -0.006 0.000 2.310 562 D HA -0.002 4.557 4.640 -0.134 0.000 0.212 562 D C 0.661 176.968 176.300 0.012 0.000 0.965 562 D CA 0.947 54.950 54.000 0.005 0.000 0.879 562 D CB -0.656 nan 40.800 nan 0.000 0.921 562 D HN 0.861 nan 8.370 nan 0.000 0.510 563 D N -0.915 119.491 120.400 0.009 0.000 2.390 563 D HA 0.202 4.762 4.640 -0.134 0.000 0.236 563 D C 1.077 177.401 176.300 0.041 0.000 1.189 563 D CA 0.620 54.631 54.000 0.019 0.000 0.887 563 D CB 0.917 41.723 40.800 0.011 0.000 1.198 563 D HN 0.296 nan 8.370 nan 0.000 0.444 564 K N -0.339 120.088 120.400 0.044 0.000 2.632 564 K HA 0.302 4.541 4.320 -0.134 0.000 0.196 564 K C 1.258 177.908 176.600 0.083 0.000 1.023 564 K CA 1.367 57.687 56.287 0.054 0.000 1.098 564 K CB -1.451 nan 32.500 nan 0.000 0.862 564 K HN 1.073 nan 8.250 nan 0.000 0.504 565 E N -2.353 117.920 120.200 0.123 0.000 3.715 565 E HA -0.162 4.108 4.350 -0.134 0.000 0.332 565 E C 1.232 177.962 176.600 0.217 0.000 0.804 565 E CA 1.226 57.761 56.400 0.225 0.000 1.253 565 E CB -3.042 nan 29.700 nan 0.000 1.629 565 E HN 0.619 nan 8.360 nan 0.000 0.399 566 T N -0.819 113.812 114.554 0.129 0.000 2.894 566 T HA -0.005 4.264 4.350 -0.134 0.000 0.258 566 T C 2.443 177.185 174.700 0.070 0.000 1.043 566 T CA 1.936 64.090 62.100 0.091 0.000 1.141 566 T CB -0.727 68.171 68.868 0.051 0.000 0.873 566 T HN 1.391 nan 8.240 nan 0.000 0.449 567 c N 1.189 119.806 118.600 0.028 0.000 2.385 567 c HA -0.172 4.318 4.570 -0.134 0.000 0.275 567 c C 2.212 176.253 174.090 -0.081 0.000 1.199 567 c CA 0.260 56.554 56.329 -0.058 0.000 1.782 567 c CB -2.120 40.309 42.510 -0.134 0.000 2.068 567 c HN 0.364 nan 8.230 nan 0.000 0.471 568 F N 2.386 122.293 119.950 -0.072 0.000 2.120 568 F HA -0.062 4.385 4.527 -0.135 0.000 0.300 568 F C 2.725 178.424 175.800 -0.168 0.000 1.095 568 F CA 2.116 60.074 58.000 -0.070 0.000 1.249 568 F CB -0.623 38.390 39.000 0.022 0.000 0.995 568 F HN 0.337 nan 8.300 nan 0.000 0.480 569 A N -1.255 121.619 122.820 0.091 0.000 1.935 569 A HA -0.042 4.197 4.320 -0.134 0.000 0.214 569 A C 2.078 179.624 177.584 -0.065 0.000 1.178 569 A CA 1.151 53.180 52.037 -0.013 0.000 0.640 569 A CB -0.415 18.611 19.000 0.043 0.000 0.825 569 A HN 0.383 nan 8.150 nan 0.000 0.447 570 E N -0.289 119.889 120.200 -0.036 0.000 2.022 570 E HA -0.092 4.178 4.350 -0.134 0.000 0.190 570 E C 1.959 178.532 176.600 -0.045 0.000 0.973 570 E CA 0.708 57.087 56.400 -0.035 0.000 0.816 570 E CB -0.156 29.532 29.700 -0.019 0.000 0.781 570 E HN 0.607 nan 8.360 nan 0.000 0.456 571 E N 0.209 120.380 120.200 -0.047 0.000 2.086 571 E HA -0.226 4.044 4.350 -0.134 0.000 0.200 571 E C 2.091 178.764 176.600 0.123 0.000 1.012 571 E CA 1.066 57.464 56.400 -0.003 0.000 0.812 571 E CB -0.347 29.290 29.700 -0.105 0.000 0.743 571 E HN 0.334 nan 8.360 nan 0.000 0.453 572 G N 1.086 109.931 108.800 0.076 0.000 2.499 572 G HA2 -0.328 3.552 3.960 -0.134 0.000 0.221 572 G HA3 -0.328 3.552 3.960 -0.134 0.000 0.221 572 G C 1.609 176.438 174.900 -0.119 0.000 1.109 572 G CA 1.132 46.163 45.100 -0.116 0.000 0.749 572 G HN 0.080 nan 8.290 nan 0.000 0.568 573 K N 0.664 121.023 120.400 -0.069 0.000 2.228 573 K HA 0.164 4.404 4.320 -0.134 0.000 0.202 573 K C 2.726 179.330 176.600 0.008 0.000 1.051 573 K CA 1.528 57.809 56.287 -0.009 0.000 0.960 573 K CB -0.234 32.259 32.500 -0.011 0.000 0.743 573 K HN 0.285 nan 8.250 nan 0.000 0.458 574 K N 0.488 120.903 120.400 0.025 0.000 2.031 574 K HA 0.005 4.244 4.320 -0.134 0.000 0.205 574 K C 1.990 178.608 176.600 0.030 0.000 1.049 574 K CA 1.456 57.760 56.287 0.028 0.000 0.939 574 K CB -1.042 31.480 32.500 0.038 0.000 0.717 574 K HN 0.183 nan 8.250 nan 0.000 0.438 575 L N 0.814 122.071 121.223 0.056 0.000 2.141 575 L HA -0.044 4.215 4.340 -0.134 0.000 0.209 575 L C 2.432 179.283 176.870 -0.032 0.000 1.094 575 L CA 1.218 56.071 54.840 0.020 0.000 0.763 575 L CB -0.141 41.919 42.059 0.002 0.000 0.908 575 L HN 0.186 nan 8.230 nan 0.000 0.437 576 V N -0.128 119.770 119.914 -0.028 0.000 2.469 576 V HA -0.307 3.732 4.120 -0.134 0.000 0.251 576 V C 2.738 178.787 176.094 -0.075 0.000 1.064 576 V CA 1.543 63.818 62.300 -0.041 0.000 1.066 576 V CB -1.329 30.495 31.823 0.003 0.000 0.667 576 V HN 0.601 nan 8.190 nan 0.000 0.461 577 A N 0.017 122.808 122.820 -0.049 0.000 1.873 577 A HA -0.080 4.159 4.320 -0.134 0.000 0.215 577 A C 2.437 179.999 177.584 -0.038 0.000 1.186 577 A CA 2.028 54.036 52.037 -0.047 0.000 0.616 577 A CB -0.772 18.212 19.000 -0.027 0.000 0.823 577 A HN 0.553 nan 8.150 nan 0.000 0.442 578 A N 0.379 123.185 122.820 -0.023 0.000 1.873 578 A HA -0.074 4.165 4.320 -0.134 0.000 0.215 578 A C 2.520 180.090 177.584 -0.024 0.000 1.186 578 A CA 2.367 54.395 52.037 -0.016 0.000 0.616 578 A CB -1.109 17.890 19.000 -0.001 0.000 0.823 578 A HN 0.958 nan 8.150 nan 0.000 0.442 579 S N -0.660 115.018 115.700 -0.036 0.000 2.359 579 S HA -0.267 4.123 4.470 -0.134 0.000 0.222 579 S C 2.283 176.858 174.600 -0.042 0.000 1.038 579 S CA 2.350 60.523 58.200 -0.044 0.000 1.051 579 S CB -1.344 61.814 63.200 -0.069 0.000 0.944 579 S HN 0.999 nan 8.310 nan 0.000 0.433 580 Q N 1.393 121.156 119.800 -0.061 0.000 2.152 580 Q HA 0.056 4.316 4.340 -0.134 0.000 0.206 580 Q C 2.553 178.538 176.000 -0.025 0.000 0.985 580 Q CA 2.470 58.242 55.803 -0.051 0.000 0.863 580 Q CB -1.719 nan 28.738 nan 0.000 0.904 580 Q HN 1.063 nan 8.270 nan 0.000 0.422 581 A N 0.590 123.395 122.820 -0.024 0.000 1.917 581 A HA 0.341 4.581 4.320 -0.134 0.000 0.219 581 A C 1.886 179.466 177.584 -0.006 0.000 1.182 581 A CA 1.581 53.610 52.037 -0.014 0.000 0.633 581 A CB -0.866 18.127 19.000 -0.012 0.000 0.819 581 A HN 1.250 nan 8.150 nan 0.000 0.448 582 A N 0.000 122.816 122.820 -0.006 0.000 2.254 582 A HA 0.000 4.239 4.320 -0.134 0.000 0.244 582 A CA 0.000 52.037 52.037 -0.001 0.000 0.836 582 A CB 0.000 18.999 19.000 -0.002 0.000 0.831 582 A HN 0.000 nan 8.150 nan 0.000 0.486