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 2wvy_1_A DATA FIRST_RESID 22 DATA SEQUENCE SKKTVEFVDY VNPLMGTEST XXXXXXNTYP AVAVPWGMNF WSPQTGENGS DATA SEQUENCE GWMYTYTDSL MRGFRQTHQP SPWINDYGTF SIMPLAGELK MSHKERLVPF DATA SEQUENCE SHQQEKATPY NYSVTFNNGL QTSLSATSRG AVFEVSFPEK EDQYVVVDAY DATA SEQUENCE NGGSSITIEP EKRLVKGATR YNNGGVPDNF ANYFMMEFSH PVIEYGTYNG DATA SEQUENCE DTLLHHQTDV AADYTCAYLK FDVPAGEKLT IRTASSFISP EQAAINFNRE DATA SEQUENCE VADADVQLIS GKAREQWNNY LGRVEAEGGT DEQLRTFYSC LYRTLLFPRE DATA SEQUENCE FYEFDSQGNP VYYSPYDGNV HDGYMYTDNG FWDTFRAVHP LFTLLYPEVS DATA SEQUENCE ERVTQSIINA YNESGFMPEW ASPGHRGCMI GNNSVSLLVD AWMKGIQTVD DATA SEQUENCE AEKALEAMIH QTQARHAEIA SVGRDGFEYY DKLGYVPYPE VPEATAKTLE DATA SEQUENCE YAYADWCIAR FAESLGKQDI ADQYYQKAPN YRNLYYPEHG FMWTKDAKGN DATA SEQUENCE WRDRFDATEW GGPFTEGSSW HWTWSVFHDP EGLSELMGGH EPMIARLDSM DATA SEQUENCE FVAPNTYNYG TYGFVIHEIA EMVALNMGQY AHGNQPVQHA IYLYDYIGQP DATA SEQUENCE WKTQYHLRNV MDKLYNSGSK GYCGDEDNGQ TSAWYVFSAM GFYPVCPGMP DATA SEQUENCE EYAIGSPLFK KVTLHLPEGK NFVVSAADNA ADRPYIRKAL LNGQEFTRNY DATA SEQUENCE LTHDELKQGG ELNLSMDSVP NQQRGTQPAD FPYSYSK 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 22 S HA 0.000 nan 4.470 nan 0.000 0.327 22 S C 0.000 174.589 174.600 -0.018 0.000 1.055 22 S CA 0.000 58.197 58.200 -0.006 0.000 1.107 22 S CB 0.000 63.199 63.200 -0.002 0.000 0.593 23 K N 2.224 122.607 120.400 -0.029 0.000 2.543 23 K HA 0.102 4.423 4.320 0.003 0.000 0.279 23 K C -0.381 176.177 176.600 -0.070 0.000 1.001 23 K CA 0.775 57.032 56.287 -0.050 0.000 1.088 23 K CB 0.173 32.645 32.500 -0.047 0.000 0.863 23 K HN 0.639 nan 8.250 nan 0.000 0.488 24 K N 2.259 122.595 120.400 -0.107 0.000 2.340 24 K HA 0.193 4.515 4.320 0.003 0.000 0.244 24 K C 0.865 177.388 176.600 -0.127 0.000 0.973 24 K CA -0.890 55.323 56.287 -0.123 0.000 0.828 24 K CB 1.741 34.133 32.500 -0.179 0.000 1.226 24 K HN 0.485 nan 8.250 nan 0.000 0.437 25 T N -0.016 114.473 114.554 -0.109 0.000 2.708 25 T HA -0.054 4.298 4.350 0.003 0.000 0.266 25 T C 0.673 175.286 174.700 -0.144 0.000 1.037 25 T CA 0.906 62.944 62.100 -0.104 0.000 1.146 25 T CB 0.138 68.960 68.868 -0.077 0.000 0.865 25 T HN 0.211 nan 8.240 nan 0.000 0.435 26 V N 2.986 122.794 119.914 -0.178 0.000 2.328 26 V HA 0.307 4.429 4.120 0.003 0.000 0.278 26 V C -0.026 175.848 176.094 -0.367 0.000 1.021 26 V CA -0.844 61.287 62.300 -0.282 0.000 0.838 26 V CB 1.402 33.047 31.823 -0.297 0.000 0.999 26 V HN 0.262 nan 8.190 nan 0.000 0.447 27 E N 2.815 122.789 120.200 -0.376 0.000 2.280 27 E HA 0.355 4.707 4.350 0.003 0.000 0.264 27 E C 0.639 176.992 176.600 -0.412 0.000 1.064 27 E CA -0.471 55.687 56.400 -0.403 0.000 0.900 27 E CB 1.113 30.677 29.700 -0.227 0.000 1.123 27 E HN 0.471 nan 8.360 nan 0.000 0.418 28 F N 0.309 120.167 119.950 -0.153 0.000 2.091 28 F HA -0.225 4.303 4.527 0.003 0.000 0.299 28 F C 2.369 178.070 175.800 -0.165 0.000 1.103 28 F CA 0.948 58.777 58.000 -0.285 0.000 1.228 28 F CB -0.890 37.879 39.000 -0.385 0.000 0.984 28 F HN 0.295 nan 8.300 nan 0.000 0.477 29 V N 0.385 120.364 119.914 0.109 0.000 2.594 29 V HA -0.232 3.889 4.120 0.003 0.000 0.253 29 V C 1.680 177.772 176.094 -0.002 0.000 1.069 29 V CA 2.021 64.372 62.300 0.085 0.000 1.082 29 V CB -0.513 31.406 31.823 0.160 0.000 0.680 29 V HN 0.257 nan 8.190 nan 0.000 0.469 30 D N -0.849 119.479 120.400 -0.119 0.000 2.309 30 D HA -0.143 4.499 4.640 0.003 0.000 0.212 30 D C 1.620 177.780 176.300 -0.234 0.000 0.968 30 D CA 1.239 55.112 54.000 -0.211 0.000 0.882 30 D CB -0.118 40.462 40.800 -0.366 0.000 0.918 30 D HN 0.618 nan 8.370 nan 0.000 0.503 31 Y N 0.279 120.576 120.300 -0.005 0.000 2.523 31 Y HA 0.071 4.623 4.550 0.003 0.000 0.279 31 Y C 0.933 176.857 175.900 0.041 0.000 1.139 31 Y CA -0.126 58.012 58.100 0.063 0.000 1.296 31 Y CB 0.133 38.713 38.460 0.200 0.000 1.045 31 Y HN -0.274 nan 8.280 nan 0.000 0.538 32 V N 2.068 122.021 119.914 0.064 0.000 2.455 32 V HA 0.050 4.172 4.120 0.003 0.000 0.273 32 V C -0.070 175.903 176.094 -0.201 0.000 1.045 32 V CA -0.552 61.683 62.300 -0.108 0.000 0.976 32 V CB 0.712 32.302 31.823 -0.387 0.000 0.993 32 V HN 0.211 nan 8.190 nan 0.000 0.475 33 N N 7.103 125.712 118.700 -0.153 0.000 2.546 33 N HA 0.395 5.137 4.740 0.003 0.000 0.238 33 N C -1.978 173.428 175.510 -0.174 0.000 0.984 33 N CA -2.259 50.702 53.050 -0.149 0.000 0.935 33 N CB 2.021 40.468 38.487 -0.067 0.000 1.122 33 N HN 0.209 nan 8.380 nan 0.000 0.510 34 P HA 0.027 nan 4.420 nan 0.000 0.230 34 P C 0.801 178.106 177.300 0.009 0.000 1.158 34 P CA 0.787 63.795 63.100 -0.154 0.000 0.769 34 P CB 0.311 31.873 31.700 -0.229 0.000 0.807 35 L N -2.133 119.092 121.223 0.003 0.000 2.591 35 L HA 0.157 4.498 4.340 0.003 0.000 0.228 35 L C 1.356 178.257 176.870 0.052 0.000 1.133 35 L CA -0.181 54.699 54.840 0.067 0.000 0.880 35 L CB -0.512 41.611 42.059 0.107 0.000 1.033 35 L HN 0.081 nan 8.230 nan 0.000 0.450 36 M N 0.948 120.572 119.600 0.041 0.000 2.303 36 M HA 0.170 4.652 4.480 0.003 0.000 0.350 36 M C 1.022 177.441 176.300 0.199 0.000 1.518 36 M CA 1.228 56.559 55.300 0.052 0.000 1.070 36 M CB 0.146 32.751 32.600 0.008 0.000 1.910 36 M HN 0.266 nan 8.290 nan 0.000 0.458 37 G N 2.844 111.764 108.800 0.200 0.000 2.141 37 G HA2 -0.220 3.742 3.960 0.003 0.000 0.231 37 G HA3 -0.220 3.742 3.960 0.003 0.000 0.231 37 G C 0.436 175.452 174.900 0.192 0.000 0.984 37 G CA 0.434 45.707 45.100 0.288 0.000 0.660 37 G HN 0.715 nan 8.290 nan 0.000 0.525 38 T N -0.573 114.084 114.554 0.172 0.000 3.060 38 T HA 0.321 4.673 4.350 0.003 0.000 0.249 38 T C 0.705 175.547 174.700 0.237 0.000 1.079 38 T CA 1.105 63.368 62.100 0.271 0.000 1.013 38 T CB 0.130 69.240 68.868 0.404 0.000 0.975 38 T HN 0.586 nan 8.240 nan 0.000 0.518 39 E N 0.212 120.475 120.200 0.104 0.000 2.207 39 E HA 0.500 4.852 4.350 0.003 0.000 0.270 39 E C -0.841 175.779 176.600 0.033 0.000 0.927 39 E CA -0.418 56.028 56.400 0.076 0.000 0.799 39 E CB 1.022 30.706 29.700 -0.026 0.000 1.172 39 E HN -0.002 nan 8.360 nan 0.000 0.404 40 S N 0.883 116.591 115.700 0.014 0.000 4.127 40 S HA -0.083 4.389 4.470 0.003 0.000 0.455 40 S C -0.332 174.229 174.600 -0.065 0.000 0.855 40 S CA 0.724 58.908 58.200 -0.026 0.000 1.225 40 S CB -1.821 61.368 63.200 -0.017 0.000 0.798 40 S HN 0.967 nan 8.310 nan 0.000 0.588 49 T N 0.778 115.475 114.554 0.237 0.000 2.900 49 T HA 0.606 4.957 4.350 0.003 0.000 0.295 49 T C -1.647 173.223 174.700 0.285 0.000 1.044 49 T CA -0.356 61.843 62.100 0.164 0.000 0.995 49 T CB 0.761 69.707 68.868 0.130 0.000 1.072 49 T HN 0.394 nan 8.240 nan 0.000 0.473 50 Y N 1.035 121.466 120.300 0.218 0.000 2.570 50 Y HA 0.773 5.324 4.550 0.003 0.000 0.345 50 Y C -2.754 173.170 175.900 0.041 0.000 1.014 50 Y CA -3.387 54.802 58.100 0.148 0.000 1.063 50 Y CB 0.722 39.280 38.460 0.163 0.000 1.272 50 Y HN 0.254 nan 8.280 nan 0.000 0.477 51 P HA 0.248 nan 4.420 nan 0.000 0.247 51 P C -0.519 176.832 177.300 0.086 0.000 1.756 51 P CA 0.133 63.231 63.100 -0.004 0.000 1.117 51 P CB 0.020 31.636 31.700 -0.140 0.000 1.869 52 A N 3.750 126.644 122.820 0.124 0.000 2.491 52 A HA 0.242 4.564 4.320 0.003 0.000 0.261 52 A C 0.417 178.035 177.584 0.056 0.000 1.101 52 A CA -0.098 52.008 52.037 0.115 0.000 0.772 52 A CB 0.014 18.898 19.000 -0.195 0.000 1.043 52 A HN 0.342 nan 8.150 nan 0.000 0.501 53 V N 2.421 122.397 119.914 0.102 0.000 2.432 53 V HA 0.663 4.784 4.120 0.003 0.000 0.275 53 V C 0.623 176.826 176.094 0.181 0.000 1.043 53 V CA 0.777 63.141 62.300 0.108 0.000 0.925 53 V CB 0.273 32.157 31.823 0.100 0.000 0.985 53 V HN 1.415 nan 8.190 nan 0.000 0.466 54 A N 4.311 127.272 122.820 0.236 0.000 2.511 54 A HA 0.864 5.185 4.320 0.003 0.000 0.293 54 A C -0.874 176.972 177.584 0.437 0.000 1.098 54 A CA -0.064 52.145 52.037 0.287 0.000 0.643 54 A CB 1.457 20.393 19.000 -0.106 0.000 1.302 54 A HN 1.491 nan 8.150 nan 0.000 0.446 55 V N -2.659 117.394 119.914 0.232 0.000 2.994 55 V HA 0.847 4.969 4.120 0.003 0.000 0.318 55 V C -2.932 172.948 176.094 -0.356 0.000 1.085 55 V CA -2.783 59.444 62.300 -0.121 0.000 0.998 55 V CB 1.161 32.925 31.823 -0.098 0.000 1.063 55 V HN 0.625 nan 8.190 nan 0.000 0.447 56 P HA 0.037 nan 4.420 nan 0.000 0.264 56 P C -0.070 176.966 177.300 -0.440 0.000 1.183 56 P CA 0.606 63.022 63.100 -1.139 0.000 0.763 56 P CB -0.057 30.604 31.700 -1.732 0.000 0.807 57 W N 0.065 121.287 121.300 -0.130 0.000 4.650 57 W HA -0.163 4.498 4.660 0.002 0.000 0.335 57 W C 0.684 177.230 176.519 0.045 0.000 1.222 57 W CA 0.862 58.207 57.345 0.000 0.000 0.807 57 W CB -2.459 26.978 29.460 -0.039 0.000 2.290 57 W HN 0.480 nan 8.180 nan 0.000 1.514 58 G N 0.858 109.847 108.800 0.316 0.000 2.414 58 G HA2 0.207 4.168 3.960 0.003 0.000 0.236 58 G HA3 0.207 4.168 3.960 0.003 0.000 0.236 58 G C 0.818 175.783 174.900 0.108 0.000 1.293 58 G CA 0.250 45.504 45.100 0.256 0.000 0.869 58 G HN 0.253 nan 8.290 nan 0.000 0.556 59 M N 1.731 121.372 119.600 0.068 0.000 2.159 59 M HA -0.057 4.425 4.480 0.003 0.000 0.263 59 M C 0.536 176.930 176.300 0.158 0.000 1.063 59 M CA 1.360 56.709 55.300 0.081 0.000 1.110 59 M CB -0.081 32.554 32.600 0.059 0.000 1.374 59 M HN 0.609 nan 8.290 nan 0.000 0.411 60 N N -0.449 118.335 118.700 0.140 0.000 2.354 60 N HA 0.347 5.089 4.740 0.003 0.000 0.287 60 N C -1.579 174.015 175.510 0.139 0.000 1.016 60 N CA -0.766 52.309 53.050 0.041 0.000 0.871 60 N CB 1.345 39.894 38.487 0.104 0.000 1.299 60 N HN -0.048 nan 8.380 nan 0.000 0.482 61 F N 0.872 120.732 119.950 -0.151 0.000 2.403 61 F HA 0.534 5.062 4.527 0.003 0.000 0.326 61 F C -0.157 175.461 175.800 -0.304 0.000 1.081 61 F CA -1.251 56.720 58.000 -0.049 0.000 1.041 61 F CB 0.587 39.620 39.000 0.055 0.000 1.234 61 F HN 0.361 nan 8.300 nan 0.000 0.503 62 W N 0.155 121.548 121.300 0.155 0.000 2.844 62 W HA 0.620 5.282 4.660 0.004 0.000 0.340 62 W C -0.411 176.109 176.519 0.001 0.000 1.093 62 W CA -0.595 56.756 57.345 0.010 0.000 1.212 62 W CB 2.069 31.505 29.460 -0.040 0.000 1.422 62 W HN 0.383 nan 8.180 nan 0.000 0.515 63 S N 3.008 118.789 115.700 0.135 0.000 2.537 63 S HA 0.555 5.027 4.470 0.003 0.000 0.271 63 S C -2.890 171.684 174.600 -0.042 0.000 1.148 63 S CA -1.448 56.750 58.200 -0.004 0.000 0.868 63 S CB 1.355 64.510 63.200 -0.076 0.000 1.115 63 S HN 0.169 nan 8.310 nan 0.000 0.461 64 P HA 0.117 nan 4.420 nan 0.000 0.269 64 P C -1.377 175.864 177.300 -0.097 0.000 1.215 64 P CA -0.038 62.857 63.100 -0.341 0.000 0.780 64 P CB 0.339 31.761 31.700 -0.463 0.000 0.898 65 Q N 1.110 120.826 119.800 -0.141 0.000 2.325 65 Q HA 0.327 4.668 4.340 0.003 0.000 0.270 65 Q C 0.400 176.411 176.000 0.019 0.000 1.020 65 Q CA -0.460 55.337 55.803 -0.010 0.000 0.785 65 Q CB 1.281 29.992 28.738 -0.045 0.000 1.259 65 Q HN 0.520 nan 8.270 nan 0.000 0.452 66 T N -0.165 114.440 114.554 0.085 0.000 3.023 66 T HA 0.295 4.647 4.350 0.003 0.000 0.249 66 T C 0.861 175.602 174.700 0.069 0.000 1.050 66 T CA 0.430 62.568 62.100 0.064 0.000 1.088 66 T CB 0.284 69.157 68.868 0.009 0.000 0.946 66 T HN 0.520 nan 8.240 nan 0.000 0.480 67 G N 0.847 109.703 108.800 0.092 0.000 2.599 67 G HA2 0.458 4.419 3.960 0.003 0.000 0.264 67 G HA3 0.458 4.419 3.960 0.003 0.000 0.264 67 G C -0.505 174.442 174.900 0.078 0.000 1.200 67 G CA -0.677 44.487 45.100 0.106 0.000 0.896 67 G HN 0.486 nan 8.290 nan 0.000 0.536 68 E N -0.005 120.245 120.200 0.083 0.000 2.418 68 E HA -0.030 4.322 4.350 0.003 0.000 0.261 68 E C 0.005 176.529 176.600 -0.126 0.000 1.070 68 E CA -0.247 56.208 56.400 0.091 0.000 0.931 68 E CB 0.392 30.164 29.700 0.120 0.000 0.954 68 E HN 0.333 nan 8.360 nan 0.000 0.439 69 N N 0.646 119.026 118.700 -0.533 0.000 2.356 69 N HA 0.007 4.749 4.740 0.003 0.000 0.252 69 N C 0.826 175.966 175.510 -0.617 0.000 1.241 69 N CA 1.356 53.852 53.050 -0.924 0.000 0.861 69 N CB 0.677 38.022 38.487 -1.904 0.000 1.075 69 N HN 0.757 nan 8.380 nan 0.000 0.461 70 G N 0.185 108.767 108.800 -0.363 0.000 2.258 70 G HA2 -0.274 3.687 3.960 0.003 0.000 0.233 70 G HA3 -0.274 3.687 3.960 0.003 0.000 0.233 70 G C 0.295 175.164 174.900 -0.052 0.000 1.006 70 G CA 0.385 45.395 45.100 -0.149 0.000 0.620 70 G HN 0.790 nan 8.290 nan 0.000 0.511 71 S N 0.890 116.549 115.700 -0.067 0.000 2.513 71 S HA 0.538 5.010 4.470 0.003 0.000 0.276 71 S C 1.731 176.278 174.600 -0.088 0.000 1.254 71 S CA 0.813 58.971 58.200 -0.070 0.000 1.053 71 S CB 1.108 64.320 63.200 0.020 0.000 0.958 71 S HN 1.352 nan 8.310 nan 0.000 0.491 72 G N 3.931 112.576 108.800 -0.259 0.000 2.509 72 G HA2 -0.082 3.880 3.960 0.003 0.000 0.218 72 G HA3 -0.082 3.880 3.960 0.003 0.000 0.218 72 G C 0.326 175.138 174.900 -0.146 0.000 1.124 72 G CA 0.006 44.947 45.100 -0.266 0.000 0.776 72 G HN 0.780 nan 8.290 nan 0.000 0.547 73 W N 1.273 122.634 121.300 0.102 0.000 1.664 73 W HA 0.438 5.100 4.660 0.003 0.000 0.428 73 W C 1.249 177.840 176.519 0.119 0.000 0.726 73 W CA -1.349 56.070 57.345 0.123 0.000 1.774 73 W CB -0.506 29.015 29.460 0.100 0.000 1.801 73 W HN 0.124 nan 8.180 nan 0.000 0.243 74 M N 1.480 121.261 119.600 0.301 0.000 2.117 74 M HA -0.164 4.318 4.480 0.003 0.000 0.262 74 M C -0.220 176.240 176.300 0.266 0.000 1.065 74 M CA 1.849 57.264 55.300 0.191 0.000 1.114 74 M CB 0.171 32.798 32.600 0.044 0.000 1.361 74 M HN 0.080 nan 8.290 nan 0.000 0.408 75 Y N -0.132 120.302 120.300 0.225 0.000 2.421 75 Y HA 0.373 4.925 4.550 0.003 0.000 0.339 75 Y C -1.510 174.549 175.900 0.265 0.000 0.996 75 Y CA -0.726 57.510 58.100 0.226 0.000 1.046 75 Y CB 1.864 40.464 38.460 0.234 0.000 1.226 75 Y HN -0.190 nan 8.280 nan 0.000 0.445 76 T N 6.600 121.017 114.554 -0.228 0.000 2.879 76 T HA 0.096 4.448 4.350 0.003 0.000 0.290 76 T C -0.025 174.550 174.700 -0.208 0.000 0.993 76 T CA -0.353 61.710 62.100 -0.061 0.000 0.975 76 T CB 0.842 69.703 68.868 -0.011 0.000 0.981 76 T HN 0.763 nan 8.240 nan 0.000 0.439 77 Y N 3.417 123.699 120.300 -0.031 0.000 2.207 77 Y HA -0.203 4.348 4.550 0.003 0.000 0.287 77 Y C 2.639 178.632 175.900 0.154 0.000 1.156 77 Y CA 2.388 60.548 58.100 0.100 0.000 1.182 77 Y CB -0.110 38.411 38.460 0.101 0.000 0.979 77 Y HN 0.732 nan 8.280 nan 0.000 0.521 78 T N -2.404 112.221 114.554 0.118 0.000 3.118 78 T HA -0.002 4.349 4.350 0.003 0.000 0.260 78 T C 0.278 174.925 174.700 -0.088 0.000 1.139 78 T CA 0.247 62.363 62.100 0.027 0.000 1.085 78 T CB -0.358 68.536 68.868 0.043 0.000 0.934 78 T HN 0.058 nan 8.240 nan 0.000 0.518 79 D N 2.420 122.744 120.400 -0.126 0.000 2.345 79 D HA 0.277 4.919 4.640 0.003 0.000 0.247 79 D C 0.913 177.048 176.300 -0.276 0.000 1.108 79 D CA 0.026 53.939 54.000 -0.146 0.000 0.894 79 D CB 1.509 42.250 40.800 -0.099 0.000 1.203 79 D HN 0.418 nan 8.370 nan 0.000 0.430 80 S N 0.522 116.070 115.700 -0.255 0.000 2.629 80 S HA 0.272 4.744 4.470 0.003 0.000 0.236 80 S C 0.250 174.722 174.600 -0.214 0.000 1.010 80 S CA -0.485 57.444 58.200 -0.452 0.000 0.981 80 S CB 0.027 63.014 63.200 -0.354 0.000 0.919 80 S HN 0.286 nan 8.310 nan 0.000 0.514 81 L N 1.858 123.110 121.223 0.048 0.000 2.385 81 L HA 0.647 4.989 4.340 0.003 0.000 0.273 81 L C -0.637 176.407 176.870 0.291 0.000 0.990 81 L CA -0.640 54.318 54.840 0.196 0.000 0.821 81 L CB 2.118 44.223 42.059 0.077 0.000 1.279 81 L HN 0.214 nan 8.230 nan 0.000 0.412 82 M N 2.230 122.026 119.600 0.327 0.000 2.404 82 M HA 0.447 4.929 4.480 0.003 0.000 0.338 82 M C 0.271 176.584 176.300 0.021 0.000 1.150 82 M CA -0.029 55.357 55.300 0.144 0.000 1.016 82 M CB 1.626 34.258 32.600 0.053 0.000 1.672 82 M HN 0.564 nan 8.290 nan 0.000 0.448 83 R N 2.233 122.714 120.500 -0.032 0.000 2.316 83 R HA 0.460 4.802 4.340 0.003 0.000 0.201 83 R C 0.329 176.603 176.300 -0.042 0.000 0.888 83 R CA 0.054 56.143 56.100 -0.020 0.000 1.041 83 R CB 1.212 31.532 30.300 0.033 0.000 1.115 83 R HN 0.880 nan 8.270 nan 0.000 0.559 84 G N 0.065 108.776 108.800 -0.147 0.000 2.349 84 G HA2 0.368 4.329 3.960 0.003 0.000 0.294 84 G HA3 0.368 4.329 3.960 0.003 0.000 0.294 84 G C -1.858 172.841 174.900 -0.333 0.000 1.380 84 G CA -0.878 44.158 45.100 -0.107 0.000 0.811 84 G HN -0.015 nan 8.290 nan 0.000 0.519 85 F N 1.287 121.358 119.950 0.201 0.000 2.427 85 F HA 0.595 5.125 4.527 0.004 0.000 0.348 85 F C 0.811 176.755 175.800 0.239 0.000 1.125 85 F CA -0.817 57.341 58.000 0.263 0.000 0.989 85 F CB 1.894 41.198 39.000 0.506 0.000 1.165 85 F HN -0.049 nan 8.300 nan 0.000 0.442 86 R N 2.291 122.867 120.500 0.126 0.000 2.368 86 R HA 0.225 4.567 4.340 0.003 0.000 0.302 86 R C -0.274 175.593 176.300 -0.722 0.000 1.002 86 R CA -0.655 55.289 56.100 -0.260 0.000 0.929 86 R CB 1.770 31.893 30.300 -0.295 0.000 1.073 86 R HN 0.690 nan 8.270 nan 0.000 0.464 87 Q N 1.855 120.756 119.800 -1.499 0.000 2.295 87 Q HA 0.137 4.479 4.340 0.003 0.000 0.259 87 Q C -0.903 174.407 176.000 -1.149 0.000 0.976 87 Q CA 0.265 54.869 55.803 -1.997 0.000 0.923 87 Q CB 1.058 28.525 28.738 -2.119 0.000 1.185 87 Q HN 0.509 nan 8.270 nan 0.000 0.410 88 T N 2.453 116.428 114.554 -0.966 0.000 2.906 88 T HA 0.375 4.727 4.350 0.003 0.000 0.295 88 T C -0.377 173.812 174.700 -0.851 0.000 1.075 88 T CA -0.522 61.133 62.100 -0.743 0.000 1.005 88 T CB 1.039 69.584 68.868 -0.538 0.000 1.136 88 T HN 0.752 nan 8.240 nan 0.000 0.498 89 H N 1.496 120.398 119.070 -0.280 0.000 3.078 89 H HA 0.240 4.797 4.556 0.003 0.000 0.263 89 H C 0.500 175.866 175.328 0.063 0.000 1.177 89 H CA -0.241 55.670 56.048 -0.228 0.000 1.128 89 H CB 0.664 30.076 29.762 -0.584 0.000 1.623 89 H HN 0.567 nan 8.280 nan 0.000 0.592 90 Q N 4.177 124.094 119.800 0.195 0.000 2.255 90 Q HA 0.029 4.371 4.340 0.003 0.000 0.280 90 Q C -1.608 174.699 176.000 0.513 0.000 1.068 90 Q CA -1.346 54.641 55.803 0.307 0.000 0.911 90 Q CB 1.165 30.032 28.738 0.215 0.000 1.157 90 Q HN 0.114 nan 8.270 nan 0.000 0.380 91 P HA 0.010 nan 4.420 nan 0.000 0.234 91 P C -0.546 176.797 177.300 0.072 0.000 1.175 91 P CA 0.518 63.666 63.100 0.080 0.000 0.801 91 P CB 0.508 32.293 31.700 0.141 0.000 0.891 92 S N -3.087 112.722 115.700 0.182 0.000 2.587 92 S HA 0.458 4.930 4.470 0.003 0.000 0.269 92 S C -2.736 171.964 174.600 0.166 0.000 1.154 92 S CA -1.199 57.112 58.200 0.185 0.000 0.824 92 S CB 1.484 64.795 63.200 0.185 0.000 1.118 92 S HN -0.322 nan 8.310 nan 0.000 0.462 93 P HA -0.047 nan 4.420 nan 0.000 0.217 93 P C 1.291 178.552 177.300 -0.065 0.000 1.150 93 P CA 0.873 63.982 63.100 0.014 0.000 0.832 93 P CB -0.085 31.624 31.700 0.015 0.000 0.787 94 W N 0.408 121.633 121.300 -0.125 0.000 2.355 94 W HA -0.139 4.523 4.660 0.003 0.000 0.309 94 W C 1.471 177.869 176.519 -0.202 0.000 1.206 94 W CA 1.168 58.414 57.345 -0.165 0.000 1.284 94 W CB -0.583 28.801 29.460 -0.127 0.000 1.145 94 W HN -0.177 nan 8.180 nan 0.000 0.502 95 I N 1.137 121.667 120.570 -0.066 0.000 2.353 95 I HA -0.199 3.973 4.170 0.003 0.000 0.248 95 I C 1.304 177.316 176.117 -0.175 0.000 1.119 95 I CA 1.526 62.693 61.300 -0.223 0.000 1.417 95 I CB -1.593 36.237 38.000 -0.284 0.000 1.078 95 I HN 0.165 nan 8.210 nan 0.000 0.421 96 N N 0.741 119.393 118.700 -0.079 0.000 6.681 96 N HA -0.207 4.535 4.740 0.003 0.000 0.407 96 N C -0.321 175.230 175.510 0.069 0.000 0.934 96 N CA 0.987 54.020 53.050 -0.027 0.000 1.206 96 N CB -0.490 37.942 38.487 -0.092 0.000 0.835 96 N HN 0.190 nan 8.380 nan 0.000 0.310 97 D N -1.019 119.459 120.400 0.131 0.000 2.449 97 D HA 0.746 5.388 4.640 0.003 0.000 0.250 97 D C -0.739 175.695 176.300 0.223 0.000 1.050 97 D CA 0.072 54.149 54.000 0.127 0.000 1.024 97 D CB 0.881 41.700 40.800 0.031 0.000 1.218 97 D HN 0.440 nan 8.370 nan 0.000 0.566 98 Y N -3.161 117.253 120.300 0.190 0.000 2.656 98 Y HA 0.482 5.034 4.550 0.003 0.000 0.334 98 Y C 0.388 176.570 175.900 0.471 0.000 1.179 98 Y CA -1.066 57.160 58.100 0.209 0.000 1.050 98 Y CB 0.818 39.239 38.460 -0.064 0.000 1.308 98 Y HN 0.501 nan 8.280 nan 0.000 0.456 99 G N 0.748 110.014 108.800 0.778 0.000 2.323 99 G HA2 -0.122 3.840 3.960 0.003 0.000 0.292 99 G HA3 -0.122 3.840 3.960 0.003 0.000 0.292 99 G C -0.234 174.848 174.900 0.304 0.000 1.040 99 G CA 0.753 46.253 45.100 0.666 0.000 0.942 99 G HN 1.029 nan 8.290 nan 0.000 0.506 100 T N -0.480 114.118 114.554 0.073 0.000 2.863 100 T HA 0.802 5.154 4.350 0.003 0.000 0.285 100 T C -0.311 174.260 174.700 -0.215 0.000 1.009 100 T CA -0.137 61.801 62.100 -0.270 0.000 0.989 100 T CB 1.011 69.542 68.868 -0.562 0.000 1.004 100 T HN 1.297 nan 8.240 nan 0.000 0.455 101 F N 1.296 121.020 119.950 -0.376 0.000 2.685 101 F HA 0.870 5.398 4.527 0.003 0.000 0.315 101 F C -0.666 175.024 175.800 -0.182 0.000 1.126 101 F CA -1.038 56.807 58.000 -0.259 0.000 0.950 101 F CB 1.234 39.924 39.000 -0.516 0.000 1.360 101 F HN 0.580 nan 8.300 nan 0.000 0.469 102 S N 0.789 116.549 115.700 0.099 0.000 2.595 102 S HA 0.842 5.314 4.470 0.003 0.000 0.281 102 S C -1.478 173.285 174.600 0.271 0.000 1.117 102 S CA -0.770 57.480 58.200 0.083 0.000 0.873 102 S CB 1.875 65.144 63.200 0.116 0.000 1.108 102 S HN 0.799 nan 8.310 nan 0.000 0.477 103 I N 1.690 122.440 120.570 0.300 0.000 2.465 103 I HA 0.547 4.718 4.170 0.003 0.000 0.291 103 I C -1.148 175.142 176.117 0.289 0.000 1.014 103 I CA -0.605 60.834 61.300 0.232 0.000 1.093 103 I CB 2.088 40.071 38.000 -0.028 0.000 1.267 103 I HN 0.659 nan 8.210 nan 0.000 0.431 104 M N 9.732 129.478 119.600 0.244 0.000 2.124 104 M HA 0.519 5.001 4.480 0.003 0.000 0.280 104 M C -2.838 173.598 176.300 0.227 0.000 0.954 104 M CA -2.266 53.196 55.300 0.269 0.000 0.958 104 M CB 1.754 34.450 32.600 0.161 0.000 1.611 104 M HN 0.029 nan 8.290 nan 0.000 0.449 105 P HA 0.458 nan 4.420 nan 0.000 0.275 105 P C -1.244 176.169 177.300 0.188 0.000 1.227 105 P CA -0.149 63.089 63.100 0.231 0.000 0.781 105 P CB 0.657 32.415 31.700 0.097 0.000 0.906 106 L N 1.322 122.733 121.223 0.314 0.000 2.409 106 L HA 0.797 5.139 4.340 0.003 0.000 0.262 106 L C -0.312 176.776 176.870 0.363 0.000 0.992 106 L CA -1.076 53.897 54.840 0.220 0.000 0.817 106 L CB 2.348 44.500 42.059 0.155 0.000 1.350 106 L HN 0.297 nan 8.230 nan 0.000 0.411 107 A N 1.025 123.988 122.820 0.238 0.000 2.355 107 A HA 0.876 5.198 4.320 0.003 0.000 0.317 107 A C 0.338 178.021 177.584 0.164 0.000 1.094 107 A CA 0.271 52.453 52.037 0.242 0.000 0.764 107 A CB 1.403 20.541 19.000 0.229 0.000 1.230 107 A HN 1.074 nan 8.150 nan 0.000 0.448 108 G N 0.535 109.427 108.800 0.154 0.000 2.728 108 G HA2 -0.125 3.837 3.960 0.003 0.000 0.269 108 G HA3 -0.125 3.837 3.960 0.003 0.000 0.269 108 G C 0.313 175.304 174.900 0.152 0.000 1.334 108 G CA 0.333 45.503 45.100 0.116 0.000 0.974 108 G HN 1.589 nan 8.290 nan 0.000 0.550 109 E N 0.297 120.533 120.200 0.060 0.000 2.316 109 E HA 0.486 4.838 4.350 0.003 0.000 0.275 109 E C 0.257 176.775 176.600 -0.136 0.000 1.029 109 E CA 0.031 56.419 56.400 -0.021 0.000 0.871 109 E CB 1.079 30.753 29.700 -0.044 0.000 1.022 109 E HN 1.313 nan 8.360 nan 0.000 0.418 110 L N 4.993 126.007 121.223 -0.348 0.000 2.360 110 L HA 0.411 4.753 4.340 0.003 0.000 0.276 110 L C -0.412 176.229 176.870 -0.381 0.000 1.121 110 L CA 0.384 54.841 54.840 -0.638 0.000 0.845 110 L CB 0.571 41.971 42.059 -1.099 0.000 1.143 110 L HN 0.391 nan 8.230 nan 0.000 0.452 111 K N 6.037 126.249 120.400 -0.313 0.000 2.443 111 K HA 0.350 4.671 4.320 0.003 0.000 0.252 111 K C -0.015 176.426 176.600 -0.264 0.000 0.933 111 K CA -0.661 55.479 56.287 -0.245 0.000 0.792 111 K CB 2.075 34.475 32.500 -0.166 0.000 1.185 111 K HN 0.595 nan 8.250 nan 0.000 0.425 112 M N -0.267 119.121 119.600 -0.355 0.000 2.556 112 M HA 0.059 4.541 4.480 0.003 0.000 0.259 112 M C 1.118 177.182 176.300 -0.393 0.000 1.175 112 M CA 0.642 55.662 55.300 -0.467 0.000 1.202 112 M CB -0.610 31.466 32.600 -0.874 0.000 1.298 112 M HN 0.519 nan 8.290 nan 0.000 0.492 113 S N 1.398 116.855 115.700 -0.404 0.000 2.562 113 S HA 0.002 4.474 4.470 0.003 0.000 0.281 113 S C 1.491 176.085 174.600 -0.010 0.000 1.333 113 S CA -0.325 57.831 58.200 -0.073 0.000 1.052 113 S CB 0.256 63.449 63.200 -0.013 0.000 0.884 113 S HN 0.560 nan 8.310 nan 0.000 0.506 114 H N 4.284 123.426 119.070 0.119 0.000 2.457 114 H HA -0.032 4.526 4.556 0.003 0.000 0.297 114 H C 1.096 176.412 175.328 -0.020 0.000 1.092 114 H CA 1.425 57.485 56.048 0.019 0.000 1.309 114 H CB -0.146 29.590 29.762 -0.043 0.000 1.382 114 H HN 0.590 nan 8.280 nan 0.000 0.535 115 K N 0.731 120.691 120.400 -0.732 0.000 2.280 115 K HA -0.082 4.240 4.320 0.003 0.000 0.202 115 K C 1.348 177.828 176.600 -0.200 0.000 1.047 115 K CA 1.200 57.209 56.287 -0.464 0.000 0.942 115 K CB 0.178 32.439 32.500 -0.398 0.000 0.739 115 K HN 0.665 nan 8.250 nan 0.000 0.457 116 E N -0.253 119.852 120.200 -0.159 0.000 2.485 116 E HA 0.073 4.424 4.350 0.003 0.000 0.213 116 E C 0.019 176.566 176.600 -0.088 0.000 0.923 116 E CA -0.178 56.155 56.400 -0.111 0.000 1.054 116 E CB 0.534 30.162 29.700 -0.120 0.000 1.077 116 E HN 0.062 nan 8.360 nan 0.000 0.509 117 R N 1.976 122.431 120.500 -0.075 0.000 2.441 117 R HA 0.163 4.504 4.340 0.003 0.000 0.300 117 R C -0.830 175.448 176.300 -0.036 0.000 1.284 117 R CA 0.218 56.284 56.100 -0.056 0.000 1.069 117 R CB 0.208 30.490 30.300 -0.030 0.000 1.087 117 R HN -0.090 nan 8.270 nan 0.000 0.519 118 L N 3.978 125.179 121.223 -0.037 0.000 2.415 118 L HA 0.382 4.724 4.340 0.003 0.000 0.268 118 L C -0.529 176.340 176.870 -0.001 0.000 0.984 118 L CA -0.657 54.179 54.840 -0.006 0.000 0.853 118 L CB 1.784 43.841 42.059 -0.003 0.000 1.215 118 L HN 0.197 nan 8.230 nan 0.000 0.419 119 V N 5.304 125.229 119.914 0.018 0.000 2.409 119 V HA 0.455 4.577 4.120 0.003 0.000 0.291 119 V C -2.046 174.193 176.094 0.241 0.000 1.020 119 V CA -1.654 60.656 62.300 0.016 0.000 0.848 119 V CB 2.034 33.694 31.823 -0.272 0.000 0.990 119 V HN 0.503 nan 8.190 nan 0.000 0.430 120 P HA 0.319 nan 4.420 nan 0.000 0.271 120 P C -0.949 176.616 177.300 0.441 0.000 1.216 120 P CA 0.179 63.419 63.100 0.234 0.000 0.776 120 P CB 0.493 32.252 31.700 0.098 0.000 0.881 121 F N -0.911 119.104 119.950 0.109 0.000 2.662 121 F HA 0.704 5.233 4.527 0.003 0.000 0.312 121 F C -1.073 174.666 175.800 -0.102 0.000 1.113 121 F CA -1.242 56.780 58.000 0.037 0.000 0.951 121 F CB 1.308 40.306 39.000 -0.004 0.000 1.344 121 F HN 0.251 nan 8.300 nan 0.000 0.462 122 S N 0.055 115.666 115.700 -0.148 0.000 2.501 122 S HA 0.348 4.820 4.470 0.003 0.000 0.301 122 S C 0.398 174.919 174.600 -0.132 0.000 1.096 122 S CA -0.571 57.456 58.200 -0.289 0.000 1.063 122 S CB 0.600 63.735 63.200 -0.108 0.000 1.042 122 S HN 0.789 nan 8.310 nan 0.000 0.494 123 H N 3.014 122.011 119.070 -0.121 0.000 2.518 123 H HA -0.055 4.502 4.556 0.003 0.000 0.292 123 H C 1.530 176.880 175.328 0.037 0.000 1.068 123 H CA 1.513 57.565 56.048 0.008 0.000 1.275 123 H CB 0.118 29.828 29.762 -0.086 0.000 1.375 123 H HN 0.707 nan 8.280 nan 0.000 0.563 124 Q N -0.038 119.825 119.800 0.105 0.000 2.369 124 Q HA -0.057 4.285 4.340 0.003 0.000 0.206 124 Q C 0.728 176.754 176.000 0.043 0.000 0.963 124 Q CA 0.570 56.414 55.803 0.068 0.000 0.894 124 Q CB 0.396 29.157 28.738 0.038 0.000 0.965 124 Q HN 0.310 nan 8.270 nan 0.000 0.475 125 Q N 0.443 120.270 119.800 0.045 0.000 2.211 125 Q HA 0.177 4.519 4.340 0.003 0.000 0.301 125 Q C -1.041 174.945 176.000 -0.023 0.000 0.884 125 Q CA 0.084 55.890 55.803 0.004 0.000 1.115 125 Q CB 0.970 29.707 28.738 -0.002 0.000 1.217 125 Q HN 0.277 nan 8.270 nan 0.000 0.451 126 E N 0.264 120.465 120.200 0.002 0.000 2.246 126 E HA 0.311 4.663 4.350 0.003 0.000 0.266 126 E C -1.461 175.050 176.600 -0.148 0.000 0.880 126 E CA -0.297 56.057 56.400 -0.077 0.000 0.762 126 E CB 1.581 31.381 29.700 0.166 0.000 1.180 126 E HN -0.187 nan 8.360 nan 0.000 0.416 127 K N 2.831 123.031 120.400 -0.333 0.000 2.559 127 K HA 0.667 4.989 4.320 0.003 0.000 0.249 127 K C -1.514 174.842 176.600 -0.407 0.000 0.958 127 K CA -0.066 56.054 56.287 -0.278 0.000 0.901 127 K CB 1.173 33.545 32.500 -0.213 0.000 1.124 127 K HN 0.568 nan 8.250 nan 0.000 0.437 128 A N 3.140 125.798 122.820 -0.271 0.000 2.271 128 A HA 0.705 5.027 4.320 0.003 0.000 0.317 128 A C 0.223 177.656 177.584 -0.251 0.000 1.245 128 A CA -0.208 51.718 52.037 -0.185 0.000 0.857 128 A CB 0.676 19.696 19.000 0.034 0.000 1.175 128 A HN 1.036 nan 8.150 nan 0.000 0.512 129 T N -0.255 114.081 114.554 -0.363 0.000 2.883 129 T HA 0.675 5.027 4.350 0.003 0.000 0.296 129 T C -2.617 171.744 174.700 -0.565 0.000 1.117 129 T CA -1.670 60.089 62.100 -0.568 0.000 1.006 129 T CB 1.757 70.055 68.868 -0.950 0.000 1.191 129 T HN 0.113 nan 8.240 nan 0.000 0.508 130 P HA 0.025 nan 4.420 nan 0.000 0.221 130 P C 0.863 178.056 177.300 -0.178 0.000 1.150 130 P CA 0.782 63.547 63.100 -0.558 0.000 0.800 130 P CB -0.298 30.657 31.700 -1.242 0.000 0.787 131 Y N -2.194 118.047 120.300 -0.098 0.000 2.462 131 Y HA 0.432 4.984 4.550 0.003 0.000 0.261 131 Y C 0.045 175.942 175.900 -0.005 0.000 1.146 131 Y CA -0.822 57.313 58.100 0.059 0.000 1.283 131 Y CB -0.472 38.048 38.460 0.100 0.000 1.090 131 Y HN -0.192 nan 8.280 nan 0.000 0.526 132 N N -0.244 118.204 118.700 -0.420 0.000 2.635 132 N HA 0.173 4.915 4.740 0.003 0.000 0.260 132 N C -2.437 172.919 175.510 -0.256 0.000 1.078 132 N CA -0.641 52.244 53.050 -0.275 0.000 1.012 132 N CB 1.006 39.369 38.487 -0.208 0.000 1.677 132 N HN 0.209 nan 8.380 nan 0.000 0.514 133 Y N 2.504 122.648 120.300 -0.260 0.000 2.364 133 Y HA 0.705 5.256 4.550 0.003 0.000 0.340 133 Y C -0.945 174.841 175.900 -0.189 0.000 0.975 133 Y CA -0.365 57.616 58.100 -0.198 0.000 1.089 133 Y CB 1.560 39.954 38.460 -0.109 0.000 1.192 133 Y HN 0.462 nan 8.280 nan 0.000 0.454 134 S N 5.449 120.758 115.700 -0.653 0.000 2.536 134 S HA 0.831 5.303 4.470 0.003 0.000 0.287 134 S C -2.188 172.106 174.600 -0.510 0.000 1.101 134 S CA -0.555 57.397 58.200 -0.414 0.000 0.950 134 S CB 1.448 64.482 63.200 -0.276 0.000 1.056 134 S HN 0.799 nan 8.310 nan 0.000 0.481 135 V N 3.551 123.285 119.914 -0.300 0.000 2.969 135 V HA 0.702 4.824 4.120 0.003 0.000 0.304 135 V C -1.163 174.718 176.094 -0.355 0.000 1.192 135 V CA -0.233 61.868 62.300 -0.332 0.000 0.962 135 V CB 2.452 34.069 31.823 -0.343 0.000 1.045 135 V HN 0.983 nan 8.190 nan 0.000 0.428 136 T N 6.972 121.348 114.554 -0.296 0.000 2.786 136 T HA 0.610 4.962 4.350 0.003 0.000 0.283 136 T C -0.528 174.059 174.700 -0.188 0.000 0.992 136 T CA -0.009 61.974 62.100 -0.196 0.000 0.954 136 T CB 0.670 69.502 68.868 -0.060 0.000 0.934 136 T HN 0.395 nan 8.240 nan 0.000 0.440 137 F N 1.905 121.927 119.950 0.120 0.000 2.399 137 F HA 0.250 4.779 4.527 0.003 0.000 0.313 137 F C 1.954 177.825 175.800 0.118 0.000 1.202 137 F CA -0.742 57.352 58.000 0.157 0.000 1.192 137 F CB 0.380 39.467 39.000 0.144 0.000 1.256 137 F HN 0.409 nan 8.300 nan 0.000 0.558 138 N N 1.009 119.894 118.700 0.308 0.000 2.272 138 N HA -0.190 4.551 4.740 0.003 0.000 0.185 138 N C 1.164 176.767 175.510 0.154 0.000 1.014 138 N CA 1.201 54.354 53.050 0.172 0.000 0.870 138 N CB -0.641 37.921 38.487 0.125 0.000 0.975 138 N HN 0.559 nan 8.380 nan 0.000 0.433 139 N N -0.367 118.448 118.700 0.191 0.000 2.461 139 N HA 0.064 4.806 4.740 0.003 0.000 0.188 139 N C 1.071 176.668 175.510 0.146 0.000 1.134 139 N CA 0.827 53.963 53.050 0.143 0.000 0.878 139 N CB -0.201 38.362 38.487 0.127 0.000 0.972 139 N HN 0.205 nan 8.380 nan 0.000 0.456 140 G N -0.231 108.668 108.800 0.165 0.000 2.199 140 G HA2 -0.286 3.676 3.960 0.003 0.000 0.254 140 G HA3 -0.286 3.676 3.960 0.003 0.000 0.254 140 G C -0.176 174.812 174.900 0.147 0.000 0.982 140 G CA 0.203 45.381 45.100 0.130 0.000 0.632 140 G HN 0.519 nan 8.290 nan 0.000 0.529 141 L N 1.232 122.587 121.223 0.220 0.000 2.455 141 L HA 0.521 4.863 4.340 0.003 0.000 0.272 141 L C 0.415 177.423 176.870 0.230 0.000 1.174 141 L CA -0.159 54.809 54.840 0.213 0.000 0.869 141 L CB 0.891 43.098 42.059 0.246 0.000 1.130 141 L HN 0.285 nan 8.230 nan 0.000 0.474 142 Q N 4.059 123.903 119.800 0.073 0.000 2.337 142 Q HA 0.404 4.746 4.340 0.003 0.000 0.266 142 Q C -1.361 174.628 176.000 -0.019 0.000 1.023 142 Q CA -0.395 55.417 55.803 0.015 0.000 0.829 142 Q CB 2.104 30.825 28.738 -0.029 0.000 1.306 142 Q HN 0.714 nan 8.270 nan 0.000 0.449 143 T N 1.308 115.850 114.554 -0.020 0.000 2.933 143 T HA 0.620 4.972 4.350 0.003 0.000 0.305 143 T C -1.447 173.174 174.700 -0.131 0.000 1.092 143 T CA -0.265 61.802 62.100 -0.055 0.000 1.008 143 T CB 1.170 70.055 68.868 0.030 0.000 1.102 143 T HN 0.659 nan 8.240 nan 0.000 0.469 144 S N 4.372 119.972 115.700 -0.166 0.000 2.569 144 S HA 0.893 5.365 4.470 0.003 0.000 0.280 144 S C -1.041 173.349 174.600 -0.350 0.000 1.111 144 S CA -0.872 57.197 58.200 -0.220 0.000 0.887 144 S CB 1.400 64.496 63.200 -0.172 0.000 1.095 144 S HN 1.108 nan 8.310 nan 0.000 0.476 145 L N -0.618 120.343 121.223 -0.437 0.000 2.434 145 L HA 0.973 5.314 4.340 0.003 0.000 0.260 145 L C -0.957 175.657 176.870 -0.425 0.000 0.983 145 L CA -0.659 53.759 54.840 -0.702 0.000 0.820 145 L CB 1.998 43.208 42.059 -1.415 0.000 1.361 145 L HN 0.627 nan 8.230 nan 0.000 0.410 146 S N 0.818 116.277 115.700 -0.401 0.000 2.549 146 S HA 0.920 5.392 4.470 0.003 0.000 0.280 146 S C -0.596 173.870 174.600 -0.223 0.000 1.109 146 S CA -0.410 57.668 58.200 -0.203 0.000 0.905 146 S CB 1.987 65.135 63.200 -0.087 0.000 1.081 146 S HN 1.032 nan 8.310 nan 0.000 0.477 147 A N 1.704 124.485 122.820 -0.066 0.000 2.337 147 A HA 0.878 5.200 4.320 0.003 0.000 0.331 147 A C 0.348 177.980 177.584 0.080 0.000 1.137 147 A CA -0.644 51.388 52.037 -0.008 0.000 0.807 147 A CB 0.858 19.961 19.000 0.172 0.000 1.250 147 A HN 0.792 nan 8.150 nan 0.000 0.468 148 T N -1.562 113.044 114.554 0.086 0.000 2.893 148 T HA 0.422 4.774 4.350 0.003 0.000 0.281 148 T C 1.300 176.101 174.700 0.169 0.000 1.027 148 T CA 0.377 62.541 62.100 0.107 0.000 0.953 148 T CB 0.485 69.394 68.868 0.069 0.000 1.434 148 T HN 0.402 nan 8.240 nan 0.000 0.597 149 S N 0.242 116.034 115.700 0.153 0.000 2.359 149 S HA -0.073 4.399 4.470 0.003 0.000 0.224 149 S C 1.778 176.496 174.600 0.198 0.000 1.035 149 S CA 1.267 59.569 58.200 0.170 0.000 1.018 149 S CB -0.364 62.921 63.200 0.141 0.000 0.876 149 S HN 0.656 nan 8.310 nan 0.000 0.448 150 R N -0.351 120.265 120.500 0.193 0.000 2.531 150 R HA 0.337 4.678 4.340 0.003 0.000 0.316 150 R C 0.599 177.062 176.300 0.271 0.000 0.955 150 R CA 0.062 56.289 56.100 0.212 0.000 1.120 150 R CB 1.261 31.658 30.300 0.162 0.000 1.361 150 R HN 0.313 nan 8.270 nan 0.000 0.534 151 G N 0.017 108.966 108.800 0.249 0.000 2.866 151 G HA2 0.802 4.764 3.960 0.003 0.000 0.289 151 G HA3 0.802 4.764 3.960 0.003 0.000 0.289 151 G C -1.684 173.271 174.900 0.092 0.000 1.396 151 G CA -0.312 44.925 45.100 0.227 0.000 0.848 151 G HN 0.129 nan 8.290 nan 0.000 0.515 152 A N -1.598 121.157 122.820 -0.108 0.000 2.610 152 A HA 0.787 5.109 4.320 0.003 0.000 0.291 152 A C -1.731 175.673 177.584 -0.300 0.000 1.086 152 A CA -0.467 51.320 52.037 -0.417 0.000 0.677 152 A CB 1.678 19.934 19.000 -1.241 0.000 1.278 152 A HN 1.493 nan 8.150 nan 0.000 0.414 153 V N 0.710 120.425 119.914 -0.331 0.000 2.709 153 V HA 0.605 4.727 4.120 0.003 0.000 0.308 153 V C -1.159 174.794 176.094 -0.235 0.000 1.062 153 V CA -0.304 61.891 62.300 -0.174 0.000 0.901 153 V CB 1.552 33.293 31.823 -0.136 0.000 1.003 153 V HN 0.754 nan 8.190 nan 0.000 0.425 154 F N 2.224 122.029 119.950 -0.242 0.000 2.507 154 F HA 0.650 5.178 4.527 0.002 0.000 0.327 154 F C 0.407 176.107 175.800 -0.167 0.000 1.068 154 F CA -0.625 57.233 58.000 -0.237 0.000 0.965 154 F CB 1.966 40.822 39.000 -0.240 0.000 1.192 154 F HN 0.610 nan 8.300 nan 0.000 0.476 155 E N 0.594 120.800 120.200 0.010 0.000 2.212 155 E HA 0.731 5.083 4.350 0.003 0.000 0.268 155 E C -1.790 174.775 176.600 -0.058 0.000 0.902 155 E CA -0.967 55.421 56.400 -0.021 0.000 0.779 155 E CB 2.390 32.063 29.700 -0.046 0.000 1.172 155 E HN 0.282 nan 8.360 nan 0.000 0.409 156 V N 2.150 121.992 119.914 -0.119 0.000 2.531 156 V HA 0.374 4.496 4.120 0.003 0.000 0.301 156 V C -0.749 175.155 176.094 -0.317 0.000 1.034 156 V CA -0.855 61.281 62.300 -0.274 0.000 0.865 156 V CB 1.987 33.517 31.823 -0.488 0.000 0.995 156 V HN 0.792 nan 8.190 nan 0.000 0.424 157 S N 5.013 120.553 115.700 -0.266 0.000 2.448 157 S HA 0.661 5.133 4.470 0.003 0.000 0.320 157 S C -0.616 173.881 174.600 -0.171 0.000 1.071 157 S CA -0.348 57.758 58.200 -0.157 0.000 1.113 157 S CB 0.346 63.511 63.200 -0.059 0.000 0.972 157 S HN 0.439 nan 8.310 nan 0.000 0.465 158 F N 3.382 123.338 119.950 0.009 0.000 2.384 158 F HA 0.396 4.924 4.527 0.002 0.000 0.338 158 F C -1.892 173.924 175.800 0.027 0.000 1.103 158 F CA -2.107 55.908 58.000 0.025 0.000 1.157 158 F CB 0.058 39.057 39.000 -0.003 0.000 1.167 158 F HN 0.306 nan 8.300 nan 0.000 0.529 159 P HA 0.225 nan 4.420 nan 0.000 0.268 159 P C -0.315 177.060 177.300 0.125 0.000 1.205 159 P CA -0.108 63.081 63.100 0.149 0.000 0.771 159 P CB 0.232 32.014 31.700 0.137 0.000 0.858 160 E N 1.348 121.598 120.200 0.083 0.000 2.390 160 E HA 0.415 4.766 4.350 0.003 0.000 0.261 160 E C 1.100 177.722 176.600 0.036 0.000 1.076 160 E CA 0.033 56.465 56.400 0.054 0.000 0.905 160 E CB -0.752 28.973 29.700 0.042 0.000 0.984 160 E HN 0.624 nan 8.360 nan 0.000 0.427 161 K N 0.275 120.684 120.400 0.014 0.000 3.341 161 K HA -0.138 4.184 4.320 0.003 0.000 0.305 161 K C 0.130 176.730 176.600 0.000 0.000 1.270 161 K CA 1.889 58.178 56.287 0.003 0.000 0.897 161 K CB -2.400 30.107 32.500 0.011 0.000 1.264 161 K HN 0.745 nan 8.250 nan 0.000 0.468 162 E N 0.896 121.096 120.200 0.000 0.000 2.256 162 E HA 0.391 4.743 4.350 0.003 0.000 0.267 162 E C -0.989 175.572 176.600 -0.066 0.000 0.892 162 E CA -1.025 55.374 56.400 -0.001 0.000 0.775 162 E CB 1.306 31.035 29.700 0.049 0.000 1.207 162 E HN 0.381 nan 8.360 nan 0.000 0.420 163 D N 1.885 122.236 120.400 -0.081 0.000 2.506 163 D HA -0.014 4.627 4.640 0.003 0.000 0.234 163 D C -0.254 175.839 176.300 -0.346 0.000 1.143 163 D CA 0.792 54.653 54.000 -0.233 0.000 0.871 163 D CB 0.548 41.259 40.800 -0.149 0.000 1.190 163 D HN 0.181 nan 8.370 nan 0.000 0.459 164 Q N 1.587 120.996 119.800 -0.651 0.000 2.341 164 Q HA 0.443 4.785 4.340 0.003 0.000 0.268 164 Q C -1.039 174.562 176.000 -0.666 0.000 1.013 164 Q CA -0.622 54.681 55.803 -0.832 0.000 0.798 164 Q CB 1.423 29.287 28.738 -1.458 0.000 1.253 164 Q HN 0.392 nan 8.270 nan 0.000 0.457 165 Y N 0.078 120.416 120.300 0.064 0.000 2.570 165 Y HA 0.642 5.194 4.550 0.003 0.000 0.345 165 Y C -0.325 175.821 175.900 0.410 0.000 1.014 165 Y CA -1.123 57.103 58.100 0.209 0.000 1.063 165 Y CB 1.810 40.332 38.460 0.103 0.000 1.272 165 Y HN 0.267 nan 8.280 nan 0.000 0.477 166 V N 2.667 122.931 119.914 0.583 0.000 2.531 166 V HA 0.497 4.619 4.120 0.003 0.000 0.301 166 V C -0.895 175.411 176.094 0.355 0.000 1.034 166 V CA -0.897 61.676 62.300 0.455 0.000 0.865 166 V CB 1.799 33.915 31.823 0.488 0.000 0.995 166 V HN 0.527 nan 8.190 nan 0.000 0.424 167 V N 5.348 125.426 119.914 0.274 0.000 2.435 167 V HA 0.501 4.622 4.120 0.003 0.000 0.290 167 V C -0.200 176.032 176.094 0.229 0.000 1.030 167 V CA -0.563 61.868 62.300 0.218 0.000 0.881 167 V CB 2.027 33.924 31.823 0.123 0.000 0.983 167 V HN 0.607 nan 8.190 nan 0.000 0.445 168 V N 3.842 123.896 119.914 0.233 0.000 2.370 168 V HA 0.413 4.535 4.120 0.003 0.000 0.283 168 V C -0.390 175.834 176.094 0.216 0.000 1.023 168 V CA -0.476 61.977 62.300 0.253 0.000 0.857 168 V CB 1.740 33.734 31.823 0.286 0.000 0.985 168 V HN 0.890 nan 8.190 nan 0.000 0.443 169 D N 4.176 124.721 120.400 0.242 0.000 2.414 169 D HA 0.502 5.143 4.640 0.003 0.000 0.232 169 D C 0.386 176.878 176.300 0.320 0.000 1.070 169 D CA -0.407 53.746 54.000 0.256 0.000 0.839 169 D CB 2.172 43.137 40.800 0.275 0.000 1.079 169 D HN 0.574 nan 8.370 nan 0.000 0.521 170 A N 4.190 127.197 122.820 0.313 0.000 2.379 170 A HA 0.253 4.575 4.320 0.003 0.000 0.236 170 A C 0.187 178.057 177.584 0.476 0.000 1.272 170 A CA -0.174 52.079 52.037 0.360 0.000 0.886 170 A CB -0.650 18.574 19.000 0.374 0.000 0.962 170 A HN 0.732 nan 8.150 nan 0.000 0.504 171 Y N -0.835 119.658 120.300 0.321 0.000 2.500 171 Y HA -0.302 4.250 4.550 0.003 0.000 0.037 171 Y C 0.527 176.635 175.900 0.346 0.000 1.695 171 Y CA 0.575 58.815 58.100 0.233 0.000 1.424 171 Y CB -0.292 38.180 38.460 0.020 0.000 2.069 171 Y HN 0.679 nan 8.280 nan 0.000 0.253 172 N N 0.772 119.606 118.700 0.224 0.000 2.566 172 N HA 0.585 5.327 4.740 0.003 0.000 0.299 172 N C 0.879 176.605 175.510 0.359 0.000 1.277 172 N CA -0.034 53.161 53.050 0.241 0.000 0.965 172 N CB 1.297 39.784 38.487 0.001 0.000 1.142 172 N HN 1.612 nan 8.380 nan 0.000 0.596 173 G N -3.156 105.809 108.800 0.275 0.000 2.176 173 G HA2 0.173 4.135 3.960 0.003 0.000 0.232 173 G HA3 0.173 4.135 3.960 0.003 0.000 0.232 173 G C 0.523 175.544 174.900 0.201 0.000 0.986 173 G CA 0.377 45.630 45.100 0.255 0.000 0.643 173 G HN 1.758 nan 8.290 nan 0.000 0.522 174 G N -1.183 107.731 108.800 0.190 0.000 2.780 174 G HA2 0.465 4.427 3.960 0.003 0.000 0.364 174 G HA3 0.465 4.427 3.960 0.003 0.000 0.364 174 G C 0.057 175.043 174.900 0.143 0.000 1.045 174 G CA 0.832 46.018 45.100 0.143 0.000 1.202 174 G HN 2.300 nan 8.290 nan 0.000 0.534 175 S N -0.307 115.481 115.700 0.148 0.000 2.709 175 S HA 0.965 5.437 4.470 0.003 0.000 0.302 175 S C -0.003 174.652 174.600 0.092 0.000 1.127 175 S CA 0.165 58.451 58.200 0.143 0.000 0.905 175 S CB 2.644 65.980 63.200 0.227 0.000 1.151 175 S HN 2.224 nan 8.310 nan 0.000 0.510 176 S N -0.283 115.457 115.700 0.067 0.000 2.556 176 S HA 0.795 5.267 4.470 0.003 0.000 0.271 176 S C -1.265 173.336 174.600 0.002 0.000 1.135 176 S CA -0.914 57.301 58.200 0.024 0.000 0.858 176 S CB 0.746 63.941 63.200 -0.008 0.000 1.114 176 S HN 0.812 nan 8.310 nan 0.000 0.468 177 I N 1.547 122.117 120.570 0.000 0.000 2.656 177 I HA 0.537 4.709 4.170 0.003 0.000 0.292 177 I C -0.867 175.230 176.117 -0.034 0.000 1.144 177 I CA -0.626 60.670 61.300 -0.006 0.000 1.038 177 I CB 2.836 40.888 38.000 0.088 0.000 1.244 177 I HN 0.930 nan 8.210 nan 0.000 0.420 178 T N 3.794 118.307 114.554 -0.068 0.000 2.840 178 T HA 0.705 5.057 4.350 0.003 0.000 0.287 178 T C -0.651 174.012 174.700 -0.061 0.000 0.991 178 T CA -0.579 61.481 62.100 -0.066 0.000 0.964 178 T CB 1.152 69.969 68.868 -0.086 0.000 0.954 178 T HN 0.319 nan 8.240 nan 0.000 0.438 179 I N 2.593 123.118 120.570 -0.075 0.000 2.353 179 I HA 0.369 4.541 4.170 0.003 0.000 0.293 179 I C 0.287 176.309 176.117 -0.160 0.000 0.992 179 I CA -0.721 60.515 61.300 -0.108 0.000 1.268 179 I CB 1.505 39.395 38.000 -0.182 0.000 1.387 179 I HN 0.694 nan 8.210 nan 0.000 0.478 180 E N 7.753 127.874 120.200 -0.131 0.000 2.683 180 E HA 0.194 4.546 4.350 0.003 0.000 0.224 180 E C -1.874 174.633 176.600 -0.155 0.000 1.046 180 E CA -1.571 54.743 56.400 -0.142 0.000 0.811 180 E CB 1.195 30.842 29.700 -0.088 0.000 1.296 180 E HN 0.415 nan 8.360 nan 0.000 0.421 181 P HA -0.232 nan 4.420 nan 0.000 0.217 181 P C 1.286 178.516 177.300 -0.118 0.000 1.150 181 P CA 1.221 64.146 63.100 -0.292 0.000 0.832 181 P CB 0.361 31.670 31.700 -0.652 0.000 0.787 182 E N 1.571 121.714 120.200 -0.094 0.000 2.204 182 E HA -0.174 4.178 4.350 0.003 0.000 0.194 182 E C 1.361 177.957 176.600 -0.006 0.000 0.989 182 E CA 1.267 57.649 56.400 -0.031 0.000 0.824 182 E CB -0.731 28.955 29.700 -0.024 0.000 0.756 182 E HN 0.281 nan 8.360 nan 0.000 0.477 183 K N 0.356 120.748 120.400 -0.013 0.000 2.404 183 K HA 0.192 4.513 4.320 0.003 0.000 0.194 183 K C 0.104 176.738 176.600 0.057 0.000 1.023 183 K CA -0.025 56.268 56.287 0.010 0.000 1.094 183 K CB 0.358 32.849 32.500 -0.015 0.000 0.841 183 K HN 0.017 nan 8.250 nan 0.000 0.523 184 R N 0.601 121.152 120.500 0.085 0.000 3.770 184 R HA -0.156 4.186 4.340 0.003 0.000 0.305 184 R C -0.672 175.802 176.300 0.290 0.000 1.184 184 R CA 0.410 56.642 56.100 0.219 0.000 0.823 184 R CB -2.125 28.334 30.300 0.266 0.000 1.285 184 R HN 0.154 nan 8.270 nan 0.000 0.499 185 L N 0.107 121.419 121.223 0.149 0.000 2.334 185 L HA 0.730 5.072 4.340 0.003 0.000 0.273 185 L C 0.126 177.072 176.870 0.128 0.000 1.013 185 L CA -1.181 53.721 54.840 0.104 0.000 0.816 185 L CB 2.142 44.188 42.059 -0.021 0.000 1.278 185 L HN -0.217 nan 8.230 nan 0.000 0.431 186 V N 2.194 122.193 119.914 0.142 0.000 2.760 186 V HA 0.495 4.617 4.120 0.003 0.000 0.309 186 V C -0.551 175.559 176.094 0.027 0.000 1.077 186 V CA -0.796 61.580 62.300 0.126 0.000 0.910 186 V CB 2.283 34.279 31.823 0.289 0.000 1.008 186 V HN 0.716 nan 8.190 nan 0.000 0.424 187 K N 1.962 122.308 120.400 -0.089 0.000 2.444 187 K HA 0.949 5.270 4.320 0.003 0.000 0.252 187 K C -0.202 176.077 176.600 -0.536 0.000 0.993 187 K CA -0.748 55.361 56.287 -0.296 0.000 0.847 187 K CB 2.769 35.121 32.500 -0.247 0.000 1.340 187 K HN 0.964 nan 8.250 nan 0.000 0.446 188 G N -0.485 107.638 108.800 -1.129 0.000 2.430 188 G HA2 0.602 4.564 3.960 0.003 0.000 0.300 188 G HA3 0.602 4.564 3.960 0.003 0.000 0.300 188 G C -2.018 172.217 174.900 -1.108 0.000 1.330 188 G CA -0.549 43.907 45.100 -1.073 0.000 0.813 188 G HN 0.614 nan 8.290 nan 0.000 0.487 189 A N -0.607 121.926 122.820 -0.478 0.000 2.422 189 A HA 0.872 5.194 4.320 0.003 0.000 0.302 189 A C -0.445 177.152 177.584 0.021 0.000 1.041 189 A CA 0.007 51.886 52.037 -0.263 0.000 0.708 189 A CB 2.014 20.889 19.000 -0.207 0.000 1.257 189 A HN 1.544 nan 8.150 nan 0.000 0.414 190 T N 0.699 115.299 114.554 0.077 0.000 2.829 190 T HA 0.582 4.934 4.350 0.003 0.000 0.280 190 T C 0.447 175.184 174.700 0.062 0.000 0.999 190 T CA -0.480 61.728 62.100 0.179 0.000 0.983 190 T CB 0.738 69.788 68.868 0.303 0.000 0.968 190 T HN 0.648 nan 8.240 nan 0.000 0.446 191 R N 2.286 122.901 120.500 0.192 0.000 2.509 191 R HA 0.132 4.474 4.340 0.003 0.000 0.297 191 R C -0.313 176.275 176.300 0.479 0.000 0.951 191 R CA -0.456 55.791 56.100 0.245 0.000 1.103 191 R CB 0.337 30.731 30.300 0.157 0.000 1.283 191 R HN 0.695 nan 8.270 nan 0.000 0.534 192 Y N 3.375 123.865 120.300 0.316 0.000 2.904 192 Y HA -0.162 4.389 4.550 0.003 0.000 0.336 192 Y C 0.047 176.115 175.900 0.280 0.000 1.263 192 Y CA 0.330 58.596 58.100 0.277 0.000 1.547 192 Y CB 0.247 38.878 38.460 0.284 0.000 1.272 192 Y HN 0.266 nan 8.280 nan 0.000 0.596 193 N N 1.700 120.036 118.700 -0.608 0.000 3.116 193 N HA 0.289 5.031 4.740 0.003 0.000 0.244 193 N C -1.798 173.320 175.510 -0.653 0.000 1.485 193 N CA -1.022 51.718 53.050 -0.515 0.000 0.884 193 N CB 0.796 39.047 38.487 -0.393 0.000 1.415 193 N HN 0.520 nan 8.380 nan 0.000 0.524 194 N N -0.578 117.877 118.700 -0.408 0.000 2.467 194 N HA 0.344 5.085 4.740 0.003 0.000 0.278 194 N C -0.260 175.085 175.510 -0.275 0.000 1.306 194 N CA 0.449 53.300 53.050 -0.331 0.000 0.905 194 N CB 0.693 39.025 38.487 -0.258 0.000 1.236 194 N HN 0.918 nan 8.380 nan 0.000 0.509 195 G N -0.367 108.263 108.800 -0.283 0.000 2.655 195 G HA2 0.021 3.983 3.960 0.003 0.000 0.680 195 G HA3 0.021 3.983 3.960 0.003 0.000 0.680 195 G C 0.395 175.116 174.900 -0.299 0.000 1.302 195 G CA -0.189 44.764 45.100 -0.245 0.000 0.872 195 G HN 0.476 nan 8.290 nan 0.000 0.540 196 G N -2.509 106.142 108.800 -0.249 0.000 2.221 196 G HA2 0.275 4.237 3.960 0.003 0.000 0.265 196 G HA3 0.275 4.237 3.960 0.003 0.000 0.265 196 G C 0.852 175.510 174.900 -0.403 0.000 1.041 196 G CA 1.527 46.452 45.100 -0.291 0.000 0.807 196 G HN 2.483 nan 8.290 nan 0.000 0.502 197 V N -3.330 116.381 119.914 -0.338 0.000 2.823 197 V HA 0.930 5.052 4.120 0.003 0.000 0.312 197 V C -1.772 174.269 176.094 -0.088 0.000 1.072 197 V CA -2.543 59.565 62.300 -0.321 0.000 0.937 197 V CB 1.917 33.390 31.823 -0.584 0.000 1.013 197 V HN 0.086 nan 8.190 nan 0.000 0.430 198 P HA 0.352 nan 4.420 nan 0.000 0.273 198 P C 0.026 177.431 177.300 0.175 0.000 1.250 198 P CA -0.197 62.973 63.100 0.116 0.000 0.793 198 P CB 0.547 32.343 31.700 0.161 0.000 1.011 199 D N -0.044 120.444 120.400 0.146 0.000 2.218 199 D HA -0.123 4.519 4.640 0.003 0.000 0.204 199 D C 1.023 177.428 176.300 0.176 0.000 0.976 199 D CA 1.182 55.264 54.000 0.136 0.000 0.853 199 D CB -0.457 40.403 40.800 0.101 0.000 0.939 199 D HN 0.462 nan 8.370 nan 0.000 0.481 200 N N 0.178 119.014 118.700 0.227 0.000 2.276 200 N HA -0.075 4.666 4.740 0.003 0.000 0.212 200 N C 0.075 175.734 175.510 0.248 0.000 1.127 200 N CA -0.507 52.678 53.050 0.226 0.000 0.834 200 N CB -0.893 37.734 38.487 0.234 0.000 1.014 200 N HN 0.003 nan 8.380 nan 0.000 0.491 201 F N 2.220 122.259 119.950 0.149 0.000 2.629 201 F HA 0.333 4.862 4.527 0.003 0.000 0.377 201 F C 0.171 175.943 175.800 -0.045 0.000 1.101 201 F CA -0.176 57.860 58.000 0.059 0.000 1.301 201 F CB 0.266 39.313 39.000 0.080 0.000 1.062 201 F HN 0.306 nan 8.300 nan 0.000 0.583 202 A N 4.596 126.668 122.820 -1.246 0.000 2.590 202 A HA 0.423 4.744 4.320 0.003 0.000 0.294 202 A C -1.719 175.105 177.584 -1.267 0.000 1.046 202 A CA -0.928 50.333 52.037 -1.293 0.000 0.684 202 A CB 0.901 19.327 19.000 -0.957 0.000 1.279 202 A HN 0.815 nan 8.150 nan 0.000 0.415 203 N N 0.310 118.459 118.700 -0.918 0.000 2.408 203 N HA 0.632 5.374 4.740 0.003 0.000 0.280 203 N C -1.632 173.521 175.510 -0.595 0.000 1.002 203 N CA -0.131 52.511 53.050 -0.680 0.000 0.907 203 N CB 0.444 38.725 38.487 -0.343 0.000 1.161 203 N HN 0.454 nan 8.380 nan 0.000 0.488 204 Y N 3.789 123.954 120.300 -0.226 0.000 2.335 204 Y HA 0.387 4.938 4.550 0.003 0.000 0.339 204 Y C -0.274 175.550 175.900 -0.127 0.000 0.987 204 Y CA -0.839 57.129 58.100 -0.219 0.000 1.140 204 Y CB 0.424 38.755 38.460 -0.214 0.000 1.173 204 Y HN 0.373 nan 8.280 nan 0.000 0.486 205 F N 1.168 121.062 119.950 -0.093 0.000 2.618 205 F HA 0.885 5.414 4.527 0.002 0.000 0.332 205 F C -0.854 174.879 175.800 -0.111 0.000 1.061 205 F CA -1.822 56.097 58.000 -0.134 0.000 0.974 205 F CB 2.082 40.790 39.000 -0.486 0.000 1.310 205 F HN 0.401 nan 8.300 nan 0.000 0.491 206 M N 4.376 124.107 119.600 0.220 0.000 2.413 206 M HA 0.605 5.087 4.480 0.003 0.000 0.287 206 M C -2.063 174.354 176.300 0.195 0.000 1.186 206 M CA -0.640 54.707 55.300 0.079 0.000 0.927 206 M CB 2.574 35.149 32.600 -0.042 0.000 1.715 206 M HN 1.044 nan 8.290 nan 0.000 0.478 207 M N 2.108 121.762 119.600 0.091 0.000 2.569 207 M HA 0.662 5.144 4.480 0.003 0.000 0.279 207 M C -2.106 174.136 176.300 -0.097 0.000 1.253 207 M CA -0.557 54.778 55.300 0.058 0.000 0.867 207 M CB 2.592 35.201 32.600 0.016 0.000 1.727 207 M HN 0.817 nan 8.290 nan 0.000 0.467 208 E N 1.700 121.821 120.200 -0.132 0.000 2.293 208 E HA 0.643 4.995 4.350 0.003 0.000 0.270 208 E C -2.199 174.245 176.600 -0.260 0.000 0.879 208 E CA -0.567 55.782 56.400 -0.085 0.000 0.756 208 E CB 2.311 32.076 29.700 0.109 0.000 1.208 208 E HN 0.665 nan 8.360 nan 0.000 0.428 209 F N 1.245 121.301 119.950 0.176 0.000 2.492 209 F HA 0.197 4.725 4.527 0.002 0.000 0.327 209 F C 1.610 177.502 175.800 0.154 0.000 1.079 209 F CA -0.483 57.616 58.000 0.165 0.000 0.967 209 F CB 2.054 41.216 39.000 0.270 0.000 1.169 209 F HN 0.562 nan 8.300 nan 0.000 0.472 210 S N -0.576 115.311 115.700 0.311 0.000 2.461 210 S HA 0.025 4.497 4.470 0.003 0.000 0.228 210 S C 0.165 174.848 174.600 0.138 0.000 1.005 210 S CA 0.665 58.991 58.200 0.210 0.000 0.942 210 S CB -0.546 62.786 63.200 0.221 0.000 0.776 210 S HN 0.632 nan 8.310 nan 0.000 0.514 211 H N 1.797 120.984 119.070 0.194 0.000 2.670 211 H HA 0.577 5.135 4.556 0.004 0.000 0.361 211 H C -2.723 172.790 175.328 0.308 0.000 1.169 211 H CA -1.777 54.395 56.048 0.207 0.000 1.198 211 H CB 0.929 30.793 29.762 0.169 0.000 1.700 211 H HN 0.088 nan 8.280 nan 0.000 0.542 212 P HA -0.026 nan 4.420 nan 0.000 0.268 212 P C -0.543 176.873 177.300 0.193 0.000 1.205 212 P CA -0.102 63.124 63.100 0.209 0.000 0.771 212 P CB 0.705 32.480 31.700 0.126 0.000 0.858 213 V N 5.276 125.213 119.914 0.038 0.000 2.389 213 V HA 0.008 4.130 4.120 0.003 0.000 0.264 213 V C 1.777 177.793 176.094 -0.131 0.000 1.049 213 V CA -0.058 62.104 62.300 -0.229 0.000 0.932 213 V CB 0.340 32.026 31.823 -0.229 0.000 1.011 213 V HN 0.433 nan 8.190 nan 0.000 0.475 214 I N 2.929 123.381 120.570 -0.198 0.000 2.480 214 I HA 0.173 4.345 4.170 0.003 0.000 0.251 214 I C 0.999 177.061 176.117 -0.091 0.000 1.124 214 I CA 0.968 62.208 61.300 -0.100 0.000 1.444 214 I CB -0.493 37.436 38.000 -0.118 0.000 1.098 214 I HN 0.651 nan 8.210 nan 0.000 0.428 215 E N -0.615 119.501 120.200 -0.140 0.000 2.433 215 E HA 0.574 4.926 4.350 0.003 0.000 0.278 215 E C -1.613 174.875 176.600 -0.185 0.000 0.976 215 E CA -0.650 55.605 56.400 -0.242 0.000 0.793 215 E CB 2.867 32.460 29.700 -0.178 0.000 1.311 215 E HN 0.085 nan 8.360 nan 0.000 0.460 216 Y N -2.038 118.025 120.300 -0.396 0.000 2.702 216 Y HA 0.772 5.324 4.550 0.003 0.000 0.336 216 Y C -0.471 174.844 175.900 -0.975 0.000 1.203 216 Y CA -0.853 56.770 58.100 -0.794 0.000 1.072 216 Y CB 1.223 39.399 38.460 -0.474 0.000 1.327 216 Y HN 0.724 nan 8.280 nan 0.000 0.456 217 G N -0.195 107.989 108.800 -1.027 0.000 2.495 217 G HA2 0.593 4.554 3.960 0.003 0.000 0.294 217 G HA3 0.593 4.554 3.960 0.003 0.000 0.294 217 G C -1.504 173.255 174.900 -0.234 0.000 1.397 217 G CA -0.372 44.433 45.100 -0.493 0.000 0.790 217 G HN 1.271 nan 8.290 nan 0.000 0.486 218 T N -2.661 111.867 114.554 -0.043 0.000 2.907 218 T HA 0.759 5.111 4.350 0.003 0.000 0.290 218 T C -1.470 173.293 174.700 0.105 0.000 1.066 218 T CA -0.854 61.265 62.100 0.031 0.000 1.012 218 T CB 2.366 71.243 68.868 0.015 0.000 1.184 218 T HN 1.460 nan 8.240 nan 0.000 0.522 219 Y N 1.856 122.120 120.300 -0.061 0.000 2.441 219 Y HA 0.482 5.033 4.550 0.003 0.000 0.334 219 Y C -0.472 175.360 175.900 -0.114 0.000 1.061 219 Y CA -1.021 57.025 58.100 -0.089 0.000 1.032 219 Y CB 1.759 40.156 38.460 -0.105 0.000 1.266 219 Y HN 0.799 nan 8.280 nan 0.000 0.441 220 N N 2.817 121.170 118.700 -0.579 0.000 2.275 220 N HA 0.300 5.042 4.740 0.003 0.000 0.236 220 N C 1.008 176.181 175.510 -0.562 0.000 1.154 220 N CA 0.242 53.035 53.050 -0.428 0.000 0.866 220 N CB 0.872 39.226 38.487 -0.221 0.000 1.093 220 N HN 1.155 nan 8.380 nan 0.000 0.515 221 G N -0.095 107.982 108.800 -1.204 0.000 2.253 221 G HA2 -0.302 3.660 3.960 0.003 0.000 0.251 221 G HA3 -0.302 3.660 3.960 0.003 0.000 0.251 221 G C 0.451 175.094 174.900 -0.428 0.000 0.998 221 G CA 0.587 45.314 45.100 -0.623 0.000 0.621 221 G HN 0.440 nan 8.290 nan 0.000 0.524 222 D N -0.568 119.548 120.400 -0.473 0.000 2.753 222 D HA 0.210 4.852 4.640 0.003 0.000 0.291 222 D C 0.772 177.011 176.300 -0.103 0.000 1.075 222 D CA 1.558 55.454 54.000 -0.172 0.000 0.946 222 D CB 0.478 41.216 40.800 -0.104 0.000 1.376 222 D HN 0.387 nan 8.370 nan 0.000 0.482 223 T N 1.355 115.804 114.554 -0.176 0.000 2.876 223 T HA 0.427 4.779 4.350 0.003 0.000 0.289 223 T C -0.696 174.034 174.700 0.050 0.000 1.014 223 T CA -0.619 61.467 62.100 -0.023 0.000 0.986 223 T CB 2.529 71.379 68.868 -0.029 0.000 1.021 223 T HN -0.153 nan 8.240 nan 0.000 0.458 224 L N 3.718 125.015 121.223 0.123 0.000 2.281 224 L HA 0.524 4.866 4.340 0.003 0.000 0.285 224 L C -1.223 175.577 176.870 -0.116 0.000 1.074 224 L CA -0.524 54.346 54.840 0.051 0.000 0.817 224 L CB -0.162 41.859 42.059 -0.063 0.000 1.168 224 L HN 0.556 nan 8.230 nan 0.000 0.434 225 L N 5.954 127.120 121.223 -0.095 0.000 2.301 225 L HA 0.412 4.754 4.340 0.003 0.000 0.278 225 L C 0.003 176.830 176.870 -0.072 0.000 1.022 225 L CA -0.477 54.325 54.840 -0.063 0.000 0.854 225 L CB 0.417 42.474 42.059 -0.004 0.000 1.226 225 L HN 0.475 nan 8.230 nan 0.000 0.429 226 H N 2.826 121.967 119.070 0.117 0.000 2.815 226 H HA 0.069 4.627 4.556 0.003 0.000 0.350 226 H C 0.463 175.834 175.328 0.071 0.000 1.080 226 H CA 0.499 56.600 56.048 0.088 0.000 1.433 226 H CB 0.639 30.468 29.762 0.112 0.000 1.432 226 H HN 0.703 nan 8.280 nan 0.000 0.592 227 H N -1.250 117.762 119.070 -0.096 0.000 3.882 227 H HA -0.171 4.387 4.556 0.003 0.000 0.165 227 H C -0.024 175.369 175.328 0.107 0.000 0.896 227 H CA 1.153 57.096 56.048 -0.175 0.000 1.243 227 H CB -0.469 29.242 29.762 -0.085 0.000 0.958 227 H HN 0.613 nan 8.280 nan 0.000 0.400 228 Q N 0.403 120.308 119.800 0.176 0.000 2.261 228 Q HA 0.253 4.595 4.340 0.003 0.000 0.252 228 Q C 1.125 177.213 176.000 0.147 0.000 0.915 228 Q CA 0.677 56.569 55.803 0.148 0.000 0.915 228 Q CB 1.457 30.239 28.738 0.074 0.000 1.204 228 Q HN 0.481 nan 8.270 nan 0.000 0.421 229 T N -2.643 111.968 114.554 0.094 0.000 3.001 229 T HA 0.085 4.437 4.350 0.003 0.000 0.251 229 T C -0.055 174.634 174.700 -0.019 0.000 1.040 229 T CA -0.075 62.028 62.100 0.005 0.000 0.985 229 T CB 0.331 69.157 68.868 -0.070 0.000 1.011 229 T HN 0.419 nan 8.240 nan 0.000 0.509 230 D N 0.409 120.808 120.400 -0.001 0.000 2.757 230 D HA 0.590 5.232 4.640 0.003 0.000 0.249 230 D C -1.635 174.661 176.300 -0.006 0.000 1.168 230 D CA -0.533 53.459 54.000 -0.013 0.000 0.870 230 D CB 2.319 43.109 40.800 -0.017 0.000 1.411 230 D HN 0.056 nan 8.370 nan 0.000 0.525 231 V N 2.086 121.996 119.914 -0.008 0.000 2.932 231 V HA 0.927 5.049 4.120 0.003 0.000 0.307 231 V C -1.632 174.460 176.094 -0.003 0.000 1.147 231 V CA -0.321 61.975 62.300 -0.007 0.000 0.951 231 V CB 1.772 33.591 31.823 -0.007 0.000 1.031 231 V HN 0.811 nan 8.190 nan 0.000 0.426 232 A N 4.363 127.181 122.820 -0.003 0.000 2.488 232 A HA 1.068 5.390 4.320 0.003 0.000 0.295 232 A C -0.545 177.044 177.584 0.009 0.000 1.045 232 A CA 0.222 52.265 52.037 0.009 0.000 0.703 232 A CB 1.676 20.681 19.000 0.009 0.000 1.271 232 A HN 2.422 nan 8.150 nan 0.000 0.400 233 A N 1.323 124.159 122.820 0.026 0.000 2.438 233 A HA 0.631 4.953 4.320 0.003 0.000 0.301 233 A C 0.378 178.006 177.584 0.073 0.000 1.101 233 A CA 0.423 52.477 52.037 0.028 0.000 0.621 233 A CB -0.176 18.816 19.000 -0.014 0.000 1.350 233 A HN 0.974 nan 8.150 nan 0.000 0.496 234 D N -1.047 119.404 120.400 0.085 0.000 2.092 234 D HA -0.135 4.507 4.640 0.003 0.000 0.193 234 D C 0.321 176.755 176.300 0.222 0.000 0.994 234 D CA 2.530 56.610 54.000 0.133 0.000 0.828 234 D CB -0.049 40.818 40.800 0.112 0.000 0.963 234 D HN 0.467 nan 8.370 nan 0.000 0.450 235 Y N 0.138 120.464 120.300 0.044 0.000 2.350 235 Y HA 0.484 5.036 4.550 0.003 0.000 0.338 235 Y C -0.958 174.979 175.900 0.061 0.000 0.961 235 Y CA -1.096 57.045 58.100 0.067 0.000 1.100 235 Y CB 1.373 39.870 38.460 0.061 0.000 1.179 235 Y HN -0.022 nan 8.280 nan 0.000 0.454 236 T N 2.775 117.288 114.554 -0.068 0.000 2.900 236 T HA 0.837 5.188 4.350 0.003 0.000 0.295 236 T C -1.044 173.585 174.700 -0.119 0.000 1.044 236 T CA -0.593 61.431 62.100 -0.126 0.000 0.995 236 T CB 0.935 69.815 68.868 0.020 0.000 1.072 236 T HN 0.689 nan 8.240 nan 0.000 0.473 237 C N 1.186 120.479 119.300 -0.011 0.000 3.171 237 C HA 1.031 5.492 4.460 0.003 0.000 0.308 237 C C -0.088 174.971 174.990 0.115 0.000 1.334 237 C CA -0.622 58.436 59.018 0.067 0.000 1.473 237 C CB 1.365 29.115 27.740 0.017 0.000 1.866 237 C HN 1.377 nan 8.230 nan 0.000 0.465 238 A N 0.509 123.405 122.820 0.126 0.000 2.498 238 A HA 0.932 5.253 4.320 0.003 0.000 0.298 238 A C -1.536 176.139 177.584 0.152 0.000 1.075 238 A CA -0.440 51.658 52.037 0.102 0.000 0.714 238 A CB 1.185 20.233 19.000 0.080 0.000 1.299 238 A HN 1.381 nan 8.150 nan 0.000 0.407 239 Y N 0.492 120.824 120.300 0.053 0.000 2.524 239 Y HA 0.851 5.403 4.550 0.003 0.000 0.344 239 Y C -1.413 174.519 175.900 0.052 0.000 1.012 239 Y CA -1.761 56.372 58.100 0.056 0.000 1.068 239 Y CB 1.228 39.685 38.460 -0.005 0.000 1.249 239 Y HN 0.427 nan 8.280 nan 0.000 0.468 240 L N 3.500 124.817 121.223 0.157 0.000 2.381 240 L HA 0.565 4.907 4.340 0.003 0.000 0.268 240 L C -0.726 176.069 176.870 -0.124 0.000 0.997 240 L CA -1.070 53.662 54.840 -0.181 0.000 0.818 240 L CB 1.882 43.612 42.059 -0.548 0.000 1.310 240 L HN 0.860 nan 8.230 nan 0.000 0.416 241 K N 1.661 121.834 120.400 -0.379 0.000 2.292 241 K HA 0.708 5.030 4.320 0.003 0.000 0.257 241 K C -1.421 174.715 176.600 -0.773 0.000 0.940 241 K CA -0.322 55.707 56.287 -0.430 0.000 0.811 241 K CB 1.421 33.803 32.500 -0.197 0.000 1.120 241 K HN 0.281 nan 8.250 nan 0.000 0.428 242 F N 0.851 120.606 119.950 -0.325 0.000 2.613 242 F HA 0.317 4.845 4.527 0.003 0.000 0.342 242 F C 0.259 175.883 175.800 -0.294 0.000 1.066 242 F CA -0.703 57.138 58.000 -0.264 0.000 1.002 242 F CB 1.356 40.207 39.000 -0.248 0.000 1.319 242 F HN 0.461 nan 8.300 nan 0.000 0.495 243 D N 0.697 121.116 120.400 0.031 0.000 2.879 243 D HA 0.236 4.878 4.640 0.003 0.000 0.351 243 D C -1.232 175.066 176.300 -0.002 0.000 1.239 243 D CA 0.012 53.986 54.000 -0.042 0.000 0.771 243 D CB 0.482 41.268 40.800 -0.025 0.000 1.176 243 D HN 0.125 nan 8.370 nan 0.000 0.496 244 V N 2.562 122.432 119.914 -0.075 0.000 2.585 244 V HA 0.228 4.349 4.120 0.003 0.000 0.296 244 V C -1.658 174.422 176.094 -0.023 0.000 1.035 244 V CA -0.863 61.366 62.300 -0.118 0.000 1.084 244 V CB 0.529 32.210 31.823 -0.236 0.000 0.953 244 V HN 0.324 nan 8.190 nan 0.000 0.483 245 P HA 0.258 nan 4.420 nan 0.000 0.272 245 P C -0.287 177.039 177.300 0.042 0.000 1.223 245 P CA -0.252 62.877 63.100 0.048 0.000 0.784 245 P CB 0.474 32.222 31.700 0.079 0.000 0.923 246 A N 2.029 124.872 122.820 0.038 0.000 2.565 246 A HA 0.388 4.710 4.320 0.003 0.000 0.237 246 A C 1.546 179.156 177.584 0.042 0.000 1.053 246 A CA 0.920 52.980 52.037 0.039 0.000 0.755 246 A CB -1.482 17.537 19.000 0.032 0.000 0.980 246 A HN 0.897 nan 8.150 nan 0.000 0.506 247 G N 1.545 110.370 108.800 0.042 0.000 2.217 247 G HA2 -0.196 3.766 3.960 0.003 0.000 0.246 247 G HA3 -0.196 3.766 3.960 0.003 0.000 0.246 247 G C 0.068 174.995 174.900 0.046 0.000 0.990 247 G CA 0.541 45.665 45.100 0.039 0.000 0.627 247 G HN 0.871 nan 8.290 nan 0.000 0.522 248 E N 0.330 120.562 120.200 0.053 0.000 2.227 248 E HA 0.625 4.977 4.350 0.003 0.000 0.268 248 E C -0.198 176.416 176.600 0.023 0.000 0.990 248 E CA -0.690 55.749 56.400 0.065 0.000 0.856 248 E CB 1.208 30.987 29.700 0.132 0.000 1.159 248 E HN 0.275 nan 8.360 nan 0.000 0.401 249 K N 1.232 121.650 120.400 0.030 0.000 2.259 249 K HA 0.370 4.692 4.320 0.003 0.000 0.249 249 K C -0.930 175.655 176.600 -0.026 0.000 0.942 249 K CA -1.028 55.252 56.287 -0.011 0.000 0.816 249 K CB 1.642 34.138 32.500 -0.006 0.000 1.155 249 K HN 0.207 nan 8.250 nan 0.000 0.428 250 L N 1.487 122.662 121.223 -0.079 0.000 2.331 250 L HA 0.219 4.561 4.340 0.003 0.000 0.278 250 L C -0.611 176.273 176.870 0.024 0.000 1.106 250 L CA 0.735 55.543 54.840 -0.054 0.000 0.824 250 L CB 1.168 43.172 42.059 -0.093 0.000 1.142 250 L HN 0.540 nan 8.230 nan 0.000 0.443 251 T N 6.560 121.176 114.554 0.104 0.000 2.824 251 T HA 0.619 4.971 4.350 0.003 0.000 0.280 251 T C -0.247 174.489 174.700 0.060 0.000 0.995 251 T CA -0.151 61.992 62.100 0.072 0.000 1.009 251 T CB 0.728 69.638 68.868 0.070 0.000 0.955 251 T HN 0.435 nan 8.240 nan 0.000 0.452 252 I N 3.316 123.898 120.570 0.020 0.000 2.436 252 I HA 0.475 4.646 4.170 0.003 0.000 0.289 252 I C 0.055 176.149 176.117 -0.039 0.000 1.010 252 I CA -0.914 60.316 61.300 -0.117 0.000 1.098 252 I CB 1.732 39.602 38.000 -0.217 0.000 1.266 252 I HN 0.330 nan 8.210 nan 0.000 0.434 253 R N 3.428 123.899 120.500 -0.048 0.000 2.514 253 R HA 0.754 5.096 4.340 0.003 0.000 0.301 253 R C -0.587 175.811 176.300 0.163 0.000 0.962 253 R CA -0.690 55.420 56.100 0.017 0.000 0.882 253 R CB 2.446 32.735 30.300 -0.017 0.000 1.143 253 R HN 0.546 nan 8.270 nan 0.000 0.452 254 T N 0.343 114.989 114.554 0.153 0.000 2.894 254 T HA 0.782 5.134 4.350 0.003 0.000 0.309 254 T C -1.728 173.196 174.700 0.373 0.000 1.208 254 T CA -0.411 61.897 62.100 0.346 0.000 1.016 254 T CB 1.780 70.878 68.868 0.383 0.000 1.192 254 T HN 0.745 nan 8.240 nan 0.000 0.491 255 A N 1.744 124.862 122.820 0.496 0.000 2.599 255 A HA 0.928 5.250 4.320 0.003 0.000 0.290 255 A C -0.599 177.231 177.584 0.410 0.000 1.101 255 A CA -0.185 52.105 52.037 0.421 0.000 0.674 255 A CB 1.317 20.526 19.000 0.347 0.000 1.277 255 A HN 1.612 nan 8.150 nan 0.000 0.419 256 S N -0.490 115.399 115.700 0.314 0.000 2.671 256 S HA 0.913 5.385 4.470 0.003 0.000 0.277 256 S C -0.624 174.015 174.600 0.065 0.000 1.165 256 S CA 0.046 58.375 58.200 0.215 0.000 0.822 256 S CB 1.461 64.814 63.200 0.255 0.000 1.150 256 S HN 2.200 nan 8.310 nan 0.000 0.479 257 S N -0.774 114.900 115.700 -0.043 0.000 2.537 257 S HA 0.668 5.140 4.470 0.003 0.000 0.270 257 S C -1.138 173.331 174.600 -0.219 0.000 1.142 257 S CA -0.657 57.498 58.200 -0.075 0.000 0.870 257 S CB 0.851 64.082 63.200 0.053 0.000 1.112 257 S HN 0.602 nan 8.310 nan 0.000 0.466 258 F N 2.209 122.138 119.950 -0.035 0.000 2.776 258 F HA 0.420 4.949 4.527 0.003 0.000 0.300 258 F C 1.509 177.273 175.800 -0.059 0.000 1.116 258 F CA 0.083 57.992 58.000 -0.153 0.000 1.375 258 F CB 0.007 38.856 39.000 -0.252 0.000 1.109 258 F HN 0.464 nan 8.300 nan 0.000 0.585 259 I N -1.218 119.480 120.570 0.214 0.000 2.385 259 I HA -0.011 4.161 4.170 0.003 0.000 0.244 259 I C 0.734 176.883 176.117 0.053 0.000 1.089 259 I CA 0.748 62.163 61.300 0.191 0.000 1.410 259 I CB -0.025 38.063 38.000 0.146 0.000 1.117 259 I HN 0.092 nan 8.210 nan 0.000 0.429 260 S N -1.773 113.866 115.700 -0.102 0.000 2.611 260 S HA 0.288 4.760 4.470 0.003 0.000 0.270 260 S C -2.544 171.781 174.600 -0.459 0.000 1.131 260 S CA -0.979 56.892 58.200 -0.547 0.000 0.826 260 S CB 1.206 64.217 63.200 -0.314 0.000 1.095 260 S HN -0.275 nan 8.310 nan 0.000 0.461 261 P HA -0.016 nan 4.420 nan 0.000 0.216 261 P C 0.986 178.188 177.300 -0.163 0.000 1.150 261 P CA 1.455 64.382 63.100 -0.287 0.000 0.837 261 P CB -0.028 31.496 31.700 -0.294 0.000 0.786 262 E N -0.533 119.570 120.200 -0.162 0.000 2.085 262 E HA -0.229 4.122 4.350 0.003 0.000 0.194 262 E C 2.107 178.684 176.600 -0.038 0.000 0.994 262 E CA 1.210 57.557 56.400 -0.088 0.000 0.801 262 E CB -0.844 28.808 29.700 -0.081 0.000 0.743 262 E HN 0.199 nan 8.360 nan 0.000 0.453 263 Q N 0.143 119.922 119.800 -0.036 0.000 2.230 263 Q HA 0.062 4.404 4.340 0.003 0.000 0.202 263 Q C 1.848 177.881 176.000 0.055 0.000 0.963 263 Q CA 1.401 57.217 55.803 0.021 0.000 0.866 263 Q CB -0.277 28.478 28.738 0.029 0.000 0.931 263 Q HN 0.249 nan 8.270 nan 0.000 0.452 264 A N 0.162 123.003 122.820 0.036 0.000 1.930 264 A HA 0.015 4.337 4.320 0.003 0.000 0.217 264 A C 2.249 179.906 177.584 0.122 0.000 1.175 264 A CA 1.610 53.699 52.037 0.087 0.000 0.627 264 A CB -0.998 18.045 19.000 0.070 0.000 0.815 264 A HN 0.492 nan 8.150 nan 0.000 0.443 265 A N -0.152 122.701 122.820 0.056 0.000 1.969 265 A HA 0.002 4.323 4.320 0.003 0.000 0.218 265 A C 2.087 179.757 177.584 0.144 0.000 1.169 265 A CA 1.293 53.366 52.037 0.061 0.000 0.635 265 A CB -0.532 18.449 19.000 -0.031 0.000 0.810 265 A HN 0.488 nan 8.150 nan 0.000 0.445 266 I N 0.260 120.896 120.570 0.111 0.000 2.142 266 I HA -0.290 3.882 4.170 0.003 0.000 0.240 266 I C 2.116 178.334 176.117 0.168 0.000 1.078 266 I CA 1.368 62.744 61.300 0.127 0.000 1.343 266 I CB -0.530 37.533 38.000 0.105 0.000 1.046 266 I HN 0.310 nan 8.210 nan 0.000 0.405 267 N N 1.004 119.809 118.700 0.175 0.000 2.104 267 N HA -0.253 4.489 4.740 0.003 0.000 0.190 267 N C 1.774 177.404 175.510 0.200 0.000 1.024 267 N CA 1.516 54.677 53.050 0.185 0.000 0.853 267 N CB -0.827 37.766 38.487 0.178 0.000 1.008 267 N HN 0.344 nan 8.380 nan 0.000 0.424 268 F N 2.144 122.145 119.950 0.084 0.000 2.069 268 F HA -0.167 4.361 4.527 0.002 0.000 0.298 268 F C 1.951 177.786 175.800 0.059 0.000 1.113 268 F CA 1.381 59.425 58.000 0.074 0.000 1.214 268 F CB -0.161 38.877 39.000 0.063 0.000 0.978 268 F HN -0.010 nan 8.300 nan 0.000 0.474 269 N N 0.347 119.278 118.700 0.386 0.000 2.244 269 N HA -0.160 4.582 4.740 0.003 0.000 0.183 269 N C 1.992 177.554 175.510 0.086 0.000 1.016 269 N CA 1.065 54.258 53.050 0.240 0.000 0.866 269 N CB -0.495 38.127 38.487 0.225 0.000 0.980 269 N HN 0.393 nan 8.380 nan 0.000 0.430 270 R N 1.139 121.692 120.500 0.089 0.000 2.073 270 R HA -0.010 4.332 4.340 0.003 0.000 0.229 270 R C 1.291 177.601 176.300 0.016 0.000 1.120 270 R CA 1.209 57.344 56.100 0.059 0.000 0.967 270 R CB 0.238 30.592 30.300 0.091 0.000 0.862 270 R HN 0.283 nan 8.270 nan 0.000 0.436 271 E N -0.901 119.294 120.200 -0.008 0.000 2.290 271 E HA -0.035 4.317 4.350 0.003 0.000 0.197 271 E C 1.376 177.908 176.600 -0.113 0.000 0.948 271 E CA 0.879 57.262 56.400 -0.028 0.000 0.895 271 E CB 1.019 30.734 29.700 0.024 0.000 0.865 271 E HN 0.307 nan 8.360 nan 0.000 0.486 272 V N -2.857 116.900 119.914 -0.262 0.000 3.411 272 V HA 0.475 4.597 4.120 0.003 0.000 0.287 272 V C 0.670 176.480 176.094 -0.473 0.000 1.543 272 V CA -0.260 61.822 62.300 -0.362 0.000 1.028 272 V CB 0.303 31.874 31.823 -0.421 0.000 0.840 272 V HN 0.049 nan 8.190 nan 0.000 0.435 273 A N 1.382 123.895 122.820 -0.511 0.000 2.546 273 A HA 0.378 4.700 4.320 0.003 0.000 0.243 273 A C 1.024 178.552 177.584 -0.094 0.000 1.063 273 A CA 1.023 52.899 52.037 -0.268 0.000 0.757 273 A CB -0.494 18.535 19.000 0.047 0.000 0.991 273 A HN 0.702 nan 8.150 nan 0.000 0.503 274 D N -1.139 119.245 120.400 -0.027 0.000 2.946 274 D HA -0.198 4.444 4.640 0.003 0.000 0.202 274 D C 0.503 176.786 176.300 -0.027 0.000 1.068 274 D CA 1.706 55.704 54.000 -0.003 0.000 1.011 274 D CB -1.686 39.120 40.800 0.010 0.000 1.105 274 D HN 1.141 nan 8.370 nan 0.000 0.425 275 A N 0.931 123.712 122.820 -0.065 0.000 2.322 275 A HA 0.456 4.778 4.320 0.003 0.000 0.269 275 A C 0.507 178.065 177.584 -0.044 0.000 1.094 275 A CA 0.120 52.122 52.037 -0.059 0.000 0.807 275 A CB 0.777 19.727 19.000 -0.085 0.000 1.047 275 A HN 0.199 nan 8.150 nan 0.000 0.487 276 D N 0.212 120.593 120.400 -0.032 0.000 2.487 276 D HA 0.248 4.890 4.640 0.003 0.000 0.262 276 D C 0.849 177.124 176.300 -0.042 0.000 1.130 276 D CA -0.359 53.625 54.000 -0.026 0.000 1.038 276 D CB 0.639 41.433 40.800 -0.010 0.000 1.142 276 D HN 0.209 nan 8.370 nan 0.000 0.575 277 V N -0.074 119.813 119.914 -0.045 0.000 2.427 277 V HA -0.260 3.861 4.120 0.003 0.000 0.248 277 V C 2.016 178.085 176.094 -0.042 0.000 1.051 277 V CA 2.035 64.296 62.300 -0.065 0.000 1.048 277 V CB -0.612 31.160 31.823 -0.085 0.000 0.666 277 V HN 0.436 nan 8.190 nan 0.000 0.456 278 Q N -0.380 119.404 119.800 -0.028 0.000 2.096 278 Q HA -0.191 4.151 4.340 0.003 0.000 0.204 278 Q C 1.941 177.931 176.000 -0.017 0.000 0.982 278 Q CA 2.092 57.884 55.803 -0.017 0.000 0.850 278 Q CB -0.673 28.055 28.738 -0.017 0.000 0.901 278 Q HN 0.599 nan 8.270 nan 0.000 0.422 279 L N -0.143 121.066 121.223 -0.022 0.000 2.017 279 L HA -0.151 4.190 4.340 0.003 0.000 0.208 279 L C 1.722 178.581 176.870 -0.019 0.000 1.073 279 L CA 1.589 56.416 54.840 -0.022 0.000 0.745 279 L CB -0.398 41.645 42.059 -0.026 0.000 0.894 279 L HN 0.223 nan 8.230 nan 0.000 0.432 280 I N -1.282 119.273 120.570 -0.026 0.000 2.353 280 I HA -0.197 3.975 4.170 0.003 0.000 0.248 280 I C 2.686 178.816 176.117 0.022 0.000 1.119 280 I CA 1.448 62.738 61.300 -0.017 0.000 1.417 280 I CB -1.605 36.363 38.000 -0.053 0.000 1.078 280 I HN 0.350 nan 8.210 nan 0.000 0.421 281 S N 1.214 116.932 115.700 0.029 0.000 2.353 281 S HA -0.152 4.320 4.470 0.003 0.000 0.222 281 S C 2.206 176.835 174.600 0.049 0.000 1.035 281 S CA 1.848 60.113 58.200 0.107 0.000 1.025 281 S CB -0.652 62.617 63.200 0.114 0.000 0.902 281 S HN 0.513 nan 8.310 nan 0.000 0.440 282 G N 0.949 109.742 108.800 -0.011 0.000 2.418 282 G HA2 -0.186 3.775 3.960 0.003 0.000 0.217 282 G HA3 -0.186 3.775 3.960 0.003 0.000 0.217 282 G C 1.544 176.422 174.900 -0.038 0.000 1.158 282 G CA 0.856 45.920 45.100 -0.058 0.000 0.771 282 G HN 0.568 nan 8.290 nan 0.000 0.545 283 K N 0.529 120.928 120.400 -0.002 0.000 2.057 283 K HA 0.111 4.433 4.320 0.003 0.000 0.206 283 K C 2.940 179.570 176.600 0.051 0.000 1.050 283 K CA 0.934 57.231 56.287 0.016 0.000 0.935 283 K CB -0.189 32.321 32.500 0.018 0.000 0.715 283 K HN 0.262 nan 8.250 nan 0.000 0.439 284 A N 1.685 124.565 122.820 0.100 0.000 1.898 284 A HA -0.171 4.150 4.320 0.003 0.000 0.216 284 A C 2.121 179.869 177.584 0.274 0.000 1.181 284 A CA 1.265 53.426 52.037 0.207 0.000 0.620 284 A CB -0.451 18.736 19.000 0.311 0.000 0.819 284 A HN 0.196 nan 8.150 nan 0.000 0.442 285 R N -0.139 120.417 120.500 0.093 0.000 2.091 285 R HA -0.211 4.131 4.340 0.003 0.000 0.238 285 R C 2.190 178.502 176.300 0.019 0.000 1.136 285 R CA 1.987 58.011 56.100 -0.126 0.000 0.959 285 R CB -0.305 29.633 30.300 -0.604 0.000 0.856 285 R HN 0.741 nan 8.270 nan 0.000 0.437 286 E N -0.258 119.943 120.200 0.003 0.000 2.072 286 E HA -0.206 4.145 4.350 0.003 0.000 0.191 286 E C 1.991 178.627 176.600 0.060 0.000 0.985 286 E CA 1.032 57.444 56.400 0.020 0.000 0.801 286 E CB 0.145 29.842 29.700 -0.004 0.000 0.750 286 E HN 0.332 nan 8.360 nan 0.000 0.452 287 Q N -0.299 119.541 119.800 0.067 0.000 2.050 287 Q HA -0.188 4.153 4.340 0.003 0.000 0.202 287 Q C 1.900 177.959 176.000 0.098 0.000 0.980 287 Q CA 1.542 57.382 55.803 0.061 0.000 0.840 287 Q CB -0.575 28.162 28.738 -0.001 0.000 0.898 287 Q HN 0.496 nan 8.270 nan 0.000 0.424 288 W N 1.674 123.079 121.300 0.176 0.000 2.358 288 W HA -0.144 4.518 4.660 0.003 0.000 0.303 288 W C 2.077 178.695 176.519 0.165 0.000 1.208 288 W CA 0.788 58.241 57.345 0.180 0.000 1.274 288 W CB -0.345 29.210 29.460 0.158 0.000 1.138 288 W HN 0.210 nan 8.180 nan 0.000 0.515 289 N N 0.268 119.164 118.700 0.327 0.000 2.120 289 N HA -0.166 4.576 4.740 0.003 0.000 0.188 289 N C 1.231 176.843 175.510 0.170 0.000 1.024 289 N CA 1.470 54.688 53.050 0.280 0.000 0.852 289 N CB -0.870 37.746 38.487 0.216 0.000 1.003 289 N HN 0.186 nan 8.380 nan 0.000 0.424 290 N N 0.478 119.221 118.700 0.071 0.000 2.043 290 N HA -0.139 4.603 4.740 0.003 0.000 0.193 290 N C 1.727 177.179 175.510 -0.097 0.000 1.037 290 N CA 1.169 54.169 53.050 -0.083 0.000 0.851 290 N CB -0.684 37.667 38.487 -0.226 0.000 1.027 290 N HN 0.375 nan 8.380 nan 0.000 0.422 291 Y N 0.915 121.288 120.300 0.122 0.000 2.184 291 Y HA 0.100 4.652 4.550 0.003 0.000 0.290 291 Y C 2.279 178.354 175.900 0.291 0.000 1.129 291 Y CA 0.539 58.781 58.100 0.237 0.000 1.144 291 Y CB -0.532 37.960 38.460 0.054 0.000 0.995 291 Y HN -0.028 nan 8.280 nan 0.000 0.513 292 L N -0.989 120.455 121.223 0.367 0.000 2.046 292 L HA -0.169 4.173 4.340 0.003 0.000 0.208 292 L C 2.501 179.331 176.870 -0.068 0.000 1.077 292 L CA 1.412 56.422 54.840 0.283 0.000 0.747 292 L CB -1.093 41.158 42.059 0.321 0.000 0.896 292 L HN 0.303 nan 8.230 nan 0.000 0.432 293 G N -0.547 108.010 108.800 -0.405 0.000 2.708 293 G HA2 -0.165 3.797 3.960 0.003 0.000 0.210 293 G HA3 -0.165 3.797 3.960 0.003 0.000 0.210 293 G C 1.611 176.375 174.900 -0.227 0.000 1.141 293 G CA -0.035 44.518 45.100 -0.912 0.000 0.788 293 G HN 0.311 nan 8.290 nan 0.000 0.531 294 R N -0.890 119.611 120.500 0.003 0.000 2.237 294 R HA 0.075 4.417 4.340 0.003 0.000 0.219 294 R C 0.294 176.665 176.300 0.118 0.000 1.080 294 R CA 0.292 56.451 56.100 0.098 0.000 0.995 294 R CB 0.107 30.404 30.300 -0.006 0.000 0.875 294 R HN 0.273 nan 8.270 nan 0.000 0.462 295 V N 1.580 121.562 119.914 0.114 0.000 2.443 295 V HA 0.212 4.334 4.120 0.003 0.000 0.293 295 V C -1.217 174.982 176.094 0.174 0.000 1.021 295 V CA -0.729 61.651 62.300 0.133 0.000 0.848 295 V CB 1.758 33.693 31.823 0.188 0.000 0.998 295 V HN 0.083 nan 8.190 nan 0.000 0.424 296 E N 5.893 126.176 120.200 0.139 0.000 2.081 296 E HA 0.633 4.985 4.350 0.003 0.000 0.276 296 E C -0.199 176.436 176.600 0.059 0.000 0.950 296 E CA -0.423 56.138 56.400 0.269 0.000 0.776 296 E CB 1.855 31.740 29.700 0.309 0.000 1.094 296 E HN 0.878 nan 8.360 nan 0.000 0.402 297 A N 4.331 127.128 122.820 -0.038 0.000 2.301 297 A HA 0.393 4.714 4.320 0.003 0.000 0.298 297 A C -0.249 177.084 177.584 -0.418 0.000 1.185 297 A CA -0.438 51.217 52.037 -0.637 0.000 0.830 297 A CB 0.590 18.581 19.000 -1.682 0.000 1.112 297 A HN 0.633 nan 8.150 nan 0.000 0.508 298 E N 0.738 120.744 120.200 -0.323 0.000 2.393 298 E HA 0.592 4.944 4.350 0.003 0.000 0.273 298 E C -0.098 176.504 176.600 0.005 0.000 0.918 298 E CA -0.686 55.643 56.400 -0.118 0.000 0.773 298 E CB 1.863 31.545 29.700 -0.031 0.000 1.275 298 E HN 1.531 nan 8.360 nan 0.000 0.451 299 G N 0.568 109.403 108.800 0.058 0.000 2.462 299 G HA2 0.107 4.068 3.960 0.003 0.000 0.283 299 G HA3 0.107 4.068 3.960 0.003 0.000 0.283 299 G C -0.029 174.995 174.900 0.208 0.000 1.043 299 G CA -0.033 45.128 45.100 0.101 0.000 1.300 299 G HN 0.806 nan 8.290 nan 0.000 0.518 300 G N -0.518 108.414 108.800 0.221 0.000 2.576 300 G HA2 0.967 4.928 3.960 0.003 0.000 0.290 300 G HA3 0.967 4.928 3.960 0.003 0.000 0.290 300 G C -0.034 174.947 174.900 0.135 0.000 1.442 300 G CA 0.647 45.878 45.100 0.218 0.000 0.792 300 G HN 1.654 nan 8.290 nan 0.000 0.491 301 T N -1.354 113.246 114.554 0.077 0.000 2.860 301 T HA 0.258 4.610 4.350 0.003 0.000 0.299 301 T C 0.696 175.453 174.700 0.095 0.000 1.045 301 T CA 0.282 62.423 62.100 0.069 0.000 1.071 301 T CB 1.194 70.085 68.868 0.039 0.000 0.985 301 T HN 0.255 nan 8.240 nan 0.000 0.537 302 D N 0.319 120.780 120.400 0.101 0.000 2.158 302 D HA -0.112 4.530 4.640 0.003 0.000 0.197 302 D C 1.896 178.274 176.300 0.129 0.000 0.995 302 D CA 1.431 55.517 54.000 0.143 0.000 0.846 302 D CB -0.241 40.658 40.800 0.166 0.000 0.941 302 D HN 0.820 nan 8.370 nan 0.000 0.456 303 E N 0.885 121.143 120.200 0.096 0.000 2.051 303 E HA -0.171 4.180 4.350 0.003 0.000 0.192 303 E C 2.000 178.657 176.600 0.096 0.000 0.991 303 E CA 1.290 57.739 56.400 0.082 0.000 0.799 303 E CB -0.176 29.555 29.700 0.051 0.000 0.748 303 E HN 0.317 nan 8.360 nan 0.000 0.449 304 Q N -0.367 119.492 119.800 0.099 0.000 2.084 304 Q HA -0.117 4.225 4.340 0.003 0.000 0.202 304 Q C 2.390 178.571 176.000 0.301 0.000 0.978 304 Q CA 1.511 57.400 55.803 0.143 0.000 0.844 304 Q CB -0.143 28.592 28.738 -0.005 0.000 0.898 304 Q HN 0.321 nan 8.270 nan 0.000 0.426 305 L N 0.024 121.374 121.223 0.211 0.000 2.056 305 L HA -0.192 4.150 4.340 0.003 0.000 0.207 305 L C 2.484 179.442 176.870 0.146 0.000 1.078 305 L CA 1.224 56.086 54.840 0.038 0.000 0.749 305 L CB -0.334 41.376 42.059 -0.583 0.000 0.901 305 L HN 0.148 nan 8.230 nan 0.000 0.433 306 R N -0.691 119.912 120.500 0.171 0.000 2.081 306 R HA -0.130 4.212 4.340 0.003 0.000 0.235 306 R C 2.272 178.669 176.300 0.161 0.000 1.131 306 R CA 1.887 58.136 56.100 0.248 0.000 0.960 306 R CB -0.759 29.659 30.300 0.196 0.000 0.856 306 R HN 0.363 nan 8.270 nan 0.000 0.436 307 T N 1.130 115.743 114.554 0.098 0.000 2.708 307 T HA -0.163 4.189 4.350 0.003 0.000 0.266 307 T C 1.425 176.102 174.700 -0.038 0.000 1.037 307 T CA 1.334 63.391 62.100 -0.071 0.000 1.146 307 T CB -0.379 68.393 68.868 -0.160 0.000 0.865 307 T HN 0.153 nan 8.240 nan 0.000 0.435 308 F N 1.095 121.089 119.950 0.073 0.000 2.046 308 F HA -0.161 4.368 4.527 0.003 0.000 0.297 308 F C 2.018 177.769 175.800 -0.080 0.000 1.123 308 F CA 1.241 59.296 58.000 0.092 0.000 1.199 308 F CB -0.574 38.438 39.000 0.020 0.000 0.972 308 F HN 0.140 nan 8.300 nan 0.000 0.474 309 Y N -0.071 120.344 120.300 0.192 0.000 2.373 309 Y HA -0.115 4.437 4.550 0.003 0.000 0.293 309 Y C 2.747 178.683 175.900 0.060 0.000 1.129 309 Y CA 1.322 59.486 58.100 0.107 0.000 1.226 309 Y CB -1.075 37.562 38.460 0.294 0.000 1.000 309 Y HN 0.016 nan 8.280 nan 0.000 0.549 310 S N -1.184 114.612 115.700 0.159 0.000 2.383 310 S HA -0.192 4.280 4.470 0.003 0.000 0.227 310 S C 2.185 176.879 174.600 0.158 0.000 1.026 310 S CA 1.361 59.635 58.200 0.124 0.000 0.981 310 S CB -0.731 62.496 63.200 0.047 0.000 0.818 310 S HN 0.523 nan 8.310 nan 0.000 0.472 311 C N 0.979 120.295 119.300 0.028 0.000 2.440 311 C HA 0.083 4.545 4.460 0.003 0.000 0.278 311 C C 2.488 177.494 174.990 0.027 0.000 1.295 311 C CA 0.211 59.266 59.018 0.061 0.000 1.738 311 C CB -1.284 26.463 27.740 0.012 0.000 1.987 311 C HN 0.505 nan 8.230 nan 0.000 0.492 312 L N 0.683 121.851 121.223 -0.092 0.000 2.046 312 L HA -0.140 4.202 4.340 0.003 0.000 0.208 312 L C 2.367 179.297 176.870 0.100 0.000 1.077 312 L CA 2.050 56.852 54.840 -0.064 0.000 0.747 312 L CB -1.379 40.578 42.059 -0.169 0.000 0.896 312 L HN 0.555 nan 8.230 nan 0.000 0.432 313 Y N 0.173 120.482 120.300 0.014 0.000 2.128 313 Y HA -0.264 4.287 4.550 0.003 0.000 0.284 313 Y C 2.521 178.400 175.900 -0.035 0.000 1.154 313 Y CA 1.834 59.905 58.100 -0.048 0.000 1.149 313 Y CB -0.354 37.933 38.460 -0.288 0.000 0.976 313 Y HN 0.094 nan 8.280 nan 0.000 0.505 314 R N -0.102 120.226 120.500 -0.287 0.000 2.105 314 R HA -0.121 4.220 4.340 0.003 0.000 0.239 314 R C 2.080 178.329 176.300 -0.085 0.000 1.135 314 R CA 1.790 57.716 56.100 -0.289 0.000 0.967 314 R CB -1.258 29.049 30.300 0.012 0.000 0.861 314 R HN 0.427 nan 8.270 nan 0.000 0.442 315 T N 1.550 116.103 114.554 -0.003 0.000 2.951 315 T HA 0.044 4.396 4.350 0.003 0.000 0.268 315 T C 1.698 176.465 174.700 0.111 0.000 1.073 315 T CA 0.635 62.779 62.100 0.074 0.000 1.134 315 T CB 0.033 68.936 68.868 0.057 0.000 0.884 315 T HN 0.162 nan 8.240 nan 0.000 0.479 316 L N 0.438 121.593 121.223 -0.113 0.000 2.591 316 L HA 0.272 4.614 4.340 0.003 0.000 0.228 316 L C 1.777 178.115 176.870 -0.887 0.000 1.133 316 L CA 0.172 54.652 54.840 -0.601 0.000 0.880 316 L CB -0.387 41.203 42.059 -0.780 0.000 1.033 316 L HN 0.261 nan 8.230 nan 0.000 0.450 317 L N -1.182 119.793 121.223 -0.414 0.000 2.127 317 L HA 0.078 4.420 4.340 0.003 0.000 0.203 317 L C 0.629 177.328 176.870 -0.286 0.000 1.080 317 L CA 0.928 55.497 54.840 -0.451 0.000 0.768 317 L CB -0.010 41.641 42.059 -0.680 0.000 0.924 317 L HN 0.063 nan 8.230 nan 0.000 0.444 318 F N -0.835 119.299 119.950 0.307 0.000 2.585 318 F HA 0.447 4.976 4.527 0.004 0.000 0.350 318 F C -1.802 174.353 175.800 0.591 0.000 1.074 318 F CA -2.672 55.587 58.000 0.432 0.000 1.032 318 F CB -0.325 38.865 39.000 0.316 0.000 1.330 318 F HN -0.255 nan 8.300 nan 0.000 0.495 319 P HA -0.149 nan 4.420 nan 0.000 0.270 319 P C -0.961 176.769 177.300 0.717 0.000 1.167 319 P CA 0.216 63.743 63.100 0.712 0.000 0.759 319 P CB 0.425 32.509 31.700 0.640 0.000 0.777 320 R N 1.615 122.428 120.500 0.521 0.000 2.459 320 R HA 0.323 4.664 4.340 0.003 0.000 0.281 320 R C -0.141 176.247 176.300 0.147 0.000 1.050 320 R CA -0.728 55.565 56.100 0.322 0.000 1.055 320 R CB 0.540 30.900 30.300 0.100 0.000 1.045 320 R HN 0.386 nan 8.270 nan 0.000 0.495 321 E N 1.435 121.552 120.200 -0.139 0.000 2.414 321 E HA -0.076 4.275 4.350 0.003 0.000 0.263 321 E C -0.732 175.718 176.600 -0.249 0.000 1.000 321 E CA 0.276 56.288 56.400 -0.647 0.000 0.914 321 E CB 0.373 29.626 29.700 -0.745 0.000 0.948 321 E HN 0.526 nan 8.360 nan 0.000 0.444 322 F N 3.011 122.740 119.950 -0.368 0.000 2.735 322 F HA 0.173 4.703 4.527 0.004 0.000 0.308 322 F C -0.804 175.022 175.800 0.044 0.000 1.112 322 F CA -0.508 57.430 58.000 -0.103 0.000 1.235 322 F CB 0.424 39.384 39.000 -0.067 0.000 1.027 322 F HN 0.418 nan 8.300 nan 0.000 0.528 323 Y N -1.007 119.289 120.300 -0.007 0.000 2.534 323 Y HA 0.824 5.376 4.550 0.003 0.000 0.329 323 Y C -0.468 175.349 175.900 -0.139 0.000 1.154 323 Y CA -1.396 56.708 58.100 0.008 0.000 1.192 323 Y CB 0.686 39.171 38.460 0.042 0.000 1.275 323 Y HN -0.001 nan 8.280 nan 0.000 0.491 324 E N 0.496 120.679 120.200 -0.028 0.000 2.416 324 E HA 0.454 4.806 4.350 0.003 0.000 0.273 324 E C -2.009 174.424 176.600 -0.277 0.000 0.935 324 E CA -0.981 55.334 56.400 -0.141 0.000 0.784 324 E CB 2.337 32.053 29.700 0.025 0.000 1.301 324 E HN 0.482 nan 8.360 nan 0.000 0.454 325 F N 2.014 122.078 119.950 0.190 0.000 2.411 325 F HA 0.186 4.715 4.527 0.004 0.000 0.352 325 F C 0.595 176.464 175.800 0.115 0.000 1.123 325 F CA -0.910 57.187 58.000 0.162 0.000 1.044 325 F CB 0.813 39.908 39.000 0.159 0.000 1.135 325 F HN 0.378 nan 8.300 nan 0.000 0.461 326 D N 0.238 120.779 120.400 0.236 0.000 2.398 326 D HA 0.045 4.687 4.640 0.003 0.000 0.264 326 D C 1.344 177.728 176.300 0.140 0.000 1.263 326 D CA -0.064 54.023 54.000 0.147 0.000 1.037 326 D CB -0.006 40.850 40.800 0.094 0.000 1.101 326 D HN 0.394 nan 8.370 nan 0.000 0.551 327 S N -1.487 114.269 115.700 0.093 0.000 2.419 327 S HA -0.221 4.251 4.470 0.003 0.000 0.233 327 S C 1.506 176.151 174.600 0.076 0.000 1.016 327 S CA 0.834 59.081 58.200 0.078 0.000 0.974 327 S CB -0.382 62.849 63.200 0.052 0.000 0.786 327 S HN 0.398 nan 8.310 nan 0.000 0.492 328 Q N 0.802 120.649 119.800 0.080 0.000 2.403 328 Q HA 0.371 4.713 4.340 0.003 0.000 0.203 328 Q C 1.425 177.481 176.000 0.093 0.000 0.932 328 Q CA 0.576 56.422 55.803 0.072 0.000 0.945 328 Q CB -0.171 28.604 28.738 0.061 0.000 1.045 328 Q HN 0.765 nan 8.270 nan 0.000 0.511 329 G N 0.307 109.189 108.800 0.137 0.000 2.143 329 G HA2 -0.240 3.721 3.960 0.003 0.000 0.249 329 G HA3 -0.240 3.721 3.960 0.003 0.000 0.249 329 G C -0.153 174.912 174.900 0.275 0.000 0.981 329 G CA 0.005 45.206 45.100 0.168 0.000 0.665 329 G HN 0.272 nan 8.290 nan 0.000 0.528 330 N N 1.468 120.321 118.700 0.256 0.000 2.498 330 N HA 0.489 5.231 4.740 0.003 0.000 0.287 330 N C -2.599 173.068 175.510 0.260 0.000 1.097 330 N CA -1.479 51.720 53.050 0.248 0.000 0.973 330 N CB 1.696 40.253 38.487 0.116 0.000 1.153 330 N HN 0.117 nan 8.380 nan 0.000 0.472 331 P HA 0.062 nan 4.420 nan 0.000 0.271 331 P C -0.378 176.879 177.300 -0.071 0.000 1.226 331 P CA -0.148 62.903 63.100 -0.083 0.000 0.765 331 P CB 0.700 32.236 31.700 -0.273 0.000 0.835 332 V N 1.998 121.909 119.914 -0.004 0.000 3.160 332 V HA 0.879 5.001 4.120 0.003 0.000 0.310 332 V C -1.299 174.916 176.094 0.203 0.000 1.181 332 V CA -1.250 61.068 62.300 0.030 0.000 1.047 332 V CB 1.970 33.797 31.823 0.006 0.000 1.068 332 V HN 0.616 nan 8.190 nan 0.000 0.441 333 Y N -0.405 119.982 120.300 0.146 0.000 2.521 333 Y HA 0.683 5.235 4.550 0.003 0.000 0.332 333 Y C -1.277 174.801 175.900 0.297 0.000 1.121 333 Y CA -1.674 56.560 58.100 0.222 0.000 1.037 333 Y CB 1.076 39.705 38.460 0.281 0.000 1.330 333 Y HN 0.891 nan 8.280 nan 0.000 0.452 334 Y N 2.991 123.513 120.300 0.371 0.000 2.537 334 Y HA 0.358 4.910 4.550 0.003 0.000 0.339 334 Y C 0.574 176.838 175.900 0.606 0.000 1.066 334 Y CA 0.225 58.553 58.100 0.379 0.000 1.357 334 Y CB 0.706 39.371 38.460 0.342 0.000 1.175 334 Y HN 0.808 nan 8.280 nan 0.000 0.525 335 S N 8.769 124.521 115.700 0.087 0.000 2.488 335 S HA 0.204 4.675 4.470 0.003 0.000 0.278 335 S C -1.648 172.757 174.600 -0.325 0.000 1.259 335 S CA -1.321 56.972 58.200 0.155 0.000 1.061 335 S CB 0.569 63.927 63.200 0.263 0.000 0.910 335 S HN 0.682 nan 8.310 nan 0.000 0.491 336 P HA 0.068 nan 4.420 nan 0.000 0.249 336 P C -0.078 176.865 177.300 -0.596 0.000 1.241 336 P CA 0.434 63.281 63.100 -0.421 0.000 0.781 336 P CB -0.150 31.124 31.700 -0.709 0.000 1.088 337 Y N 1.160 121.371 120.300 -0.147 0.000 2.500 337 Y HA 0.053 4.605 4.550 0.003 0.000 0.284 337 Y C 1.738 177.620 175.900 -0.031 0.000 1.118 337 Y CA 1.023 59.061 58.100 -0.104 0.000 1.241 337 Y CB -0.117 38.276 38.460 -0.111 0.000 1.171 337 Y HN 0.043 nan 8.280 nan 0.000 0.540 338 D N -2.687 117.777 120.400 0.108 0.000 2.520 338 D HA 0.213 4.854 4.640 0.003 0.000 0.223 338 D C 1.649 177.967 176.300 0.030 0.000 1.186 338 D CA 0.560 54.616 54.000 0.093 0.000 0.821 338 D CB 0.209 41.091 40.800 0.137 0.000 1.072 338 D HN 0.208 nan 8.370 nan 0.000 0.518 339 G N 0.233 108.963 108.800 -0.116 0.000 2.168 339 G HA2 -0.332 3.630 3.960 0.003 0.000 0.263 339 G HA3 -0.332 3.630 3.960 0.003 0.000 0.263 339 G C -0.035 174.806 174.900 -0.099 0.000 0.977 339 G CA 0.354 45.340 45.100 -0.190 0.000 0.659 339 G HN 0.528 nan 8.290 nan 0.000 0.533 340 N N -1.338 117.318 118.700 -0.073 0.000 2.476 340 N HA 0.593 5.335 4.740 0.003 0.000 0.276 340 N C -0.122 175.281 175.510 -0.179 0.000 1.204 340 N CA -0.587 52.393 53.050 -0.117 0.000 0.974 340 N CB 1.645 39.992 38.487 -0.233 0.000 1.204 340 N HN 0.042 nan 8.380 nan 0.000 0.543 341 V N 1.128 120.898 119.914 -0.240 0.000 2.439 341 V HA 0.296 4.418 4.120 0.003 0.000 0.282 341 V C -0.675 175.115 176.094 -0.507 0.000 1.039 341 V CA -0.282 61.896 62.300 -0.203 0.000 0.913 341 V CB 0.643 32.429 31.823 -0.062 0.000 0.983 341 V HN 0.654 nan 8.190 nan 0.000 0.460 342 H N 0.971 119.749 119.070 -0.487 0.000 2.834 342 H HA 0.509 5.067 4.556 0.003 0.000 0.369 342 H C -0.824 174.192 175.328 -0.520 0.000 1.174 342 H CA -0.915 54.807 56.048 -0.543 0.000 1.165 342 H CB 1.139 30.455 29.762 -0.743 0.000 1.820 342 H HN 0.558 nan 8.280 nan 0.000 0.558 343 D N 0.658 120.963 120.400 -0.158 0.000 2.302 343 D HA 0.428 5.070 4.640 0.003 0.000 0.248 343 D C 1.010 177.275 176.300 -0.058 0.000 1.094 343 D CA 0.942 54.877 54.000 -0.108 0.000 0.897 343 D CB 1.656 42.420 40.800 -0.060 0.000 1.200 343 D HN 0.825 nan 8.370 nan 0.000 0.429 344 G N 0.713 109.441 108.800 -0.119 0.000 2.384 344 G HA2 -0.126 3.836 3.960 0.003 0.000 0.200 344 G HA3 -0.126 3.836 3.960 0.003 0.000 0.200 344 G C -1.607 173.106 174.900 -0.312 0.000 1.205 344 G CA -0.843 44.084 45.100 -0.288 0.000 1.116 344 G HN 0.356 nan 8.290 nan 0.000 0.547 345 Y N -0.709 119.659 120.300 0.113 0.000 2.509 345 Y HA 0.903 5.455 4.550 0.003 0.000 0.341 345 Y C 0.497 176.203 175.900 -0.324 0.000 1.038 345 Y CA -0.866 57.132 58.100 -0.169 0.000 1.089 345 Y CB 2.181 40.521 38.460 -0.200 0.000 1.241 345 Y HN 0.819 nan 8.280 nan 0.000 0.468 346 M N 2.057 121.621 119.600 -0.060 0.000 2.413 346 M HA 0.519 5.001 4.480 0.003 0.000 0.287 346 M C -2.365 174.039 176.300 0.173 0.000 1.186 346 M CA -1.198 54.003 55.300 -0.165 0.000 0.927 346 M CB 1.528 33.697 32.600 -0.718 0.000 1.715 346 M HN 0.603 nan 8.290 nan 0.000 0.478 347 Y N 0.339 120.712 120.300 0.121 0.000 2.605 347 Y HA 0.848 5.400 4.550 0.003 0.000 0.343 347 Y C 0.124 176.065 175.900 0.068 0.000 1.036 347 Y CA -0.334 57.873 58.100 0.177 0.000 1.065 347 Y CB 2.744 41.331 38.460 0.211 0.000 1.288 347 Y HN 0.767 nan 8.280 nan 0.000 0.481 348 T N -0.608 114.082 114.554 0.228 0.000 2.661 348 T HA 0.287 4.638 4.350 0.003 0.000 0.305 348 T C -2.129 172.697 174.700 0.210 0.000 1.441 348 T CA -0.503 61.634 62.100 0.061 0.000 0.999 348 T CB 0.813 69.478 68.868 -0.339 0.000 1.650 348 T HN 0.683 nan 8.240 nan 0.000 0.489 349 D N 1.429 121.941 120.400 0.187 0.000 2.778 349 D HA -0.124 4.518 4.640 0.003 0.000 0.246 349 D C -0.499 175.955 176.300 0.258 0.000 1.107 349 D CA 0.950 55.165 54.000 0.359 0.000 0.732 349 D CB -1.332 39.782 40.800 0.523 0.000 1.055 349 D HN 0.611 nan 8.370 nan 0.000 0.429 350 N N -0.578 118.078 118.700 -0.073 0.000 2.371 350 N HA 0.461 5.203 4.740 0.003 0.000 0.280 350 N C -0.540 174.192 175.510 -1.297 0.000 1.084 350 N CA -0.521 52.276 53.050 -0.421 0.000 0.892 350 N CB 1.604 40.033 38.487 -0.098 0.000 1.653 350 N HN 0.116 nan 8.380 nan 0.000 0.480 351 G N 1.967 109.639 108.800 -1.881 0.000 2.377 351 G HA2 0.346 4.308 3.960 0.003 0.000 0.316 351 G HA3 0.346 4.308 3.960 0.003 0.000 0.316 351 G C 0.374 174.946 174.900 -0.546 0.000 1.115 351 G CA -0.290 43.619 45.100 -1.985 0.000 0.952 351 G HN 0.495 nan 8.290 nan 0.000 0.441 352 F N 1.119 120.967 119.950 -0.169 0.000 2.269 352 F HA 0.017 4.545 4.527 0.003 0.000 0.301 352 F C 2.033 178.021 175.800 0.313 0.000 1.082 352 F CA 0.012 58.068 58.000 0.094 0.000 1.360 352 F CB -0.423 38.628 39.000 0.084 0.000 1.041 352 F HN 0.746 nan 8.300 nan 0.000 0.512 353 W N 1.427 122.903 121.300 0.293 0.000 2.350 353 W HA -0.249 4.413 4.660 0.003 0.000 0.289 353 W C 2.005 178.730 176.519 0.343 0.000 1.215 353 W CA 2.151 59.737 57.345 0.402 0.000 1.236 353 W CB -0.393 29.263 29.460 0.326 0.000 1.130 353 W HN 0.079 nan 8.180 nan 0.000 0.541 354 D N -1.532 119.030 120.400 0.271 0.000 2.202 354 D HA -0.134 4.508 4.640 0.003 0.000 0.214 354 D C 2.353 178.627 176.300 -0.044 0.000 0.967 354 D CA 2.347 56.352 54.000 0.008 0.000 0.871 354 D CB -0.161 40.719 40.800 0.133 0.000 1.020 354 D HN 0.101 nan 8.370 nan 0.000 0.474 355 T N -1.745 112.883 114.554 0.123 0.000 3.100 355 T HA -0.033 4.319 4.350 0.003 0.000 0.253 355 T C 1.836 176.669 174.700 0.222 0.000 1.118 355 T CA 0.220 62.419 62.100 0.165 0.000 1.058 355 T CB -0.748 68.305 68.868 0.309 0.000 0.953 355 T HN 0.300 nan 8.240 nan 0.000 0.515 356 F N 2.230 122.263 119.950 0.138 0.000 2.293 356 F HA 0.232 4.760 4.527 0.003 0.000 0.300 356 F C 2.167 177.946 175.800 -0.035 0.000 1.086 356 F CA 0.123 58.161 58.000 0.063 0.000 1.375 356 F CB -0.436 38.598 39.000 0.057 0.000 1.045 356 F HN -0.024 nan 8.300 nan 0.000 0.516 357 R N 0.686 120.610 120.500 -0.961 0.000 2.075 357 R HA 0.144 4.486 4.340 0.003 0.000 0.232 357 R C 1.964 177.968 176.300 -0.494 0.000 1.126 357 R CA 1.446 56.951 56.100 -0.992 0.000 0.963 357 R CB -0.404 29.332 30.300 -0.941 0.000 0.858 357 R HN 0.505 nan 8.270 nan 0.000 0.435 358 A N -1.020 121.647 122.820 -0.256 0.000 1.996 358 A HA 0.153 4.475 4.320 0.003 0.000 0.185 358 A C 1.823 179.438 177.584 0.051 0.000 1.803 358 A CA -0.312 51.669 52.037 -0.094 0.000 1.335 358 A CB 0.147 19.194 19.000 0.078 0.000 1.486 358 A HN 0.005 nan 8.150 nan 0.000 0.408 359 V N 0.758 120.620 119.914 -0.087 0.000 2.261 359 V HA -0.241 3.881 4.120 0.003 0.000 0.246 359 V C 2.347 178.017 176.094 -0.707 0.000 1.047 359 V CA 2.306 64.397 62.300 -0.348 0.000 1.015 359 V CB -0.962 30.669 31.823 -0.320 0.000 0.642 359 V HN 0.615 nan 8.190 nan 0.000 0.446 360 H N -0.657 118.243 119.070 -0.284 0.000 2.395 360 H HA -0.026 4.531 4.556 0.003 0.000 0.299 360 H C -0.047 175.293 175.328 0.020 0.000 1.070 360 H CA 1.638 57.593 56.048 -0.156 0.000 1.356 360 H CB -1.378 28.401 29.762 0.028 0.000 1.401 360 H HN 0.409 nan 8.280 nan 0.000 0.524 361 P HA -0.142 nan 4.420 nan 0.000 0.215 361 P C 1.909 179.483 177.300 0.456 0.000 1.153 361 P CA 0.744 63.996 63.100 0.253 0.000 0.853 361 P CB -0.081 31.681 31.700 0.103 0.000 0.788 362 L N -1.677 119.786 121.223 0.401 0.000 2.042 362 L HA -0.167 4.175 4.340 0.003 0.000 0.210 362 L C 2.085 179.202 176.870 0.410 0.000 1.076 362 L CA 1.947 56.929 54.840 0.237 0.000 0.749 362 L CB -1.210 40.804 42.059 -0.074 0.000 0.893 362 L HN -0.155 nan 8.230 nan 0.000 0.432 363 F N -0.090 120.063 119.950 0.338 0.000 2.102 363 F HA -0.195 4.335 4.527 0.003 0.000 0.298 363 F C 2.813 178.780 175.800 0.279 0.000 1.105 363 F CA 1.488 59.703 58.000 0.359 0.000 1.239 363 F CB -2.137 36.996 39.000 0.220 0.000 0.991 363 F HN 0.304 nan 8.300 nan 0.000 0.474 364 T N -1.377 113.436 114.554 0.431 0.000 2.849 364 T HA -0.200 4.151 4.350 0.003 0.000 0.270 364 T C 1.939 176.855 174.700 0.360 0.000 1.066 364 T CA 1.453 63.739 62.100 0.309 0.000 1.130 364 T CB -0.672 68.314 68.868 0.198 0.000 0.864 364 T HN 0.199 nan 8.240 nan 0.000 0.481 365 L N -0.241 121.222 121.223 0.399 0.000 2.121 365 L HA 0.476 4.818 4.340 0.003 0.000 0.200 365 L C 2.166 179.113 176.870 0.128 0.000 1.077 365 L CA 1.299 56.340 54.840 0.335 0.000 0.766 365 L CB -0.409 41.837 42.059 0.312 0.000 0.931 365 L HN 0.258 nan 8.230 nan 0.000 0.452 366 L N -1.968 119.284 121.223 0.048 0.000 2.463 366 L HA 0.076 4.418 4.340 0.003 0.000 0.219 366 L C 0.017 176.551 176.870 -0.560 0.000 1.088 366 L CA 0.135 54.785 54.840 -0.317 0.000 0.849 366 L CB 0.233 41.971 42.059 -0.534 0.000 1.012 366 L HN 0.197 nan 8.230 nan 0.000 0.468 367 Y N -1.178 119.278 120.300 0.261 0.000 2.517 367 Y HA 0.268 4.820 4.550 0.003 0.000 0.330 367 Y C -1.756 174.189 175.900 0.076 0.000 0.917 367 Y CA -1.941 56.273 58.100 0.190 0.000 1.131 367 Y CB -0.058 38.537 38.460 0.225 0.000 1.175 367 Y HN -0.055 nan 8.280 nan 0.000 0.620 368 P HA -0.183 nan 4.420 nan 0.000 0.226 368 P C 1.150 178.473 177.300 0.038 0.000 1.153 368 P CA 1.364 64.536 63.100 0.121 0.000 0.777 368 P CB 0.464 32.231 31.700 0.112 0.000 0.794 369 E N 0.587 120.799 120.200 0.020 0.000 2.204 369 E HA -0.073 4.279 4.350 0.003 0.000 0.194 369 E C 1.721 178.233 176.600 -0.148 0.000 0.989 369 E CA 0.932 57.311 56.400 -0.035 0.000 0.824 369 E CB -1.313 28.392 29.700 0.009 0.000 0.756 369 E HN 0.104 nan 8.360 nan 0.000 0.477 370 V N 1.718 121.478 119.914 -0.257 0.000 2.323 370 V HA -0.196 3.926 4.120 0.003 0.000 0.244 370 V C 2.524 178.395 176.094 -0.371 0.000 1.041 370 V CA 1.822 63.812 62.300 -0.516 0.000 1.025 370 V CB -0.622 30.535 31.823 -1.110 0.000 0.656 370 V HN 0.246 nan 8.190 nan 0.000 0.451 371 S N -0.267 115.344 115.700 -0.149 0.000 2.400 371 S HA -0.246 4.225 4.470 0.003 0.000 0.232 371 S C 1.855 176.411 174.600 -0.073 0.000 1.025 371 S CA 1.579 59.763 58.200 -0.027 0.000 0.993 371 S CB -0.333 62.934 63.200 0.112 0.000 0.808 371 S HN 0.683 nan 8.310 nan 0.000 0.478 372 E N 1.006 121.161 120.200 -0.075 0.000 2.070 372 E HA -0.169 4.183 4.350 0.003 0.000 0.197 372 E C 2.380 178.929 176.600 -0.084 0.000 1.004 372 E CA 1.106 57.472 56.400 -0.058 0.000 0.805 372 E CB -0.117 29.553 29.700 -0.050 0.000 0.744 372 E HN 0.451 nan 8.360 nan 0.000 0.451 373 R N 0.126 120.518 120.500 -0.180 0.000 2.119 373 R HA -0.014 4.327 4.340 0.003 0.000 0.222 373 R C 2.456 178.693 176.300 -0.105 0.000 1.088 373 R CA 0.576 56.569 56.100 -0.178 0.000 0.984 373 R CB -0.119 29.977 30.300 -0.339 0.000 0.884 373 R HN 0.028 nan 8.270 nan 0.000 0.447 374 V N 1.390 121.096 119.914 -0.346 0.000 2.295 374 V HA -0.280 3.841 4.120 0.003 0.000 0.246 374 V C 2.675 178.699 176.094 -0.116 0.000 1.049 374 V CA 2.470 64.558 62.300 -0.354 0.000 1.024 374 V CB -0.834 30.782 31.823 -0.344 0.000 0.648 374 V HN 0.551 nan 8.190 nan 0.000 0.447 375 T N -1.918 112.576 114.554 -0.100 0.000 2.684 375 T HA -0.345 4.007 4.350 0.003 0.000 0.267 375 T C 1.835 176.523 174.700 -0.020 0.000 1.036 375 T CA 1.959 64.015 62.100 -0.073 0.000 1.148 375 T CB -0.504 68.343 68.868 -0.035 0.000 0.863 375 T HN 0.477 nan 8.240 nan 0.000 0.436 376 Q N 0.832 120.648 119.800 0.028 0.000 2.077 376 Q HA -0.115 4.227 4.340 0.003 0.000 0.206 376 Q C 2.760 178.809 176.000 0.081 0.000 0.989 376 Q CA 2.024 57.874 55.803 0.079 0.000 0.853 376 Q CB -0.315 28.514 28.738 0.152 0.000 0.907 376 Q HN 0.615 nan 8.270 nan 0.000 0.418 377 S N 0.286 116.048 115.700 0.102 0.000 2.419 377 S HA -0.105 4.367 4.470 0.003 0.000 0.233 377 S C 1.812 176.447 174.600 0.058 0.000 1.016 377 S CA 0.766 59.029 58.200 0.105 0.000 0.974 377 S CB -0.148 63.193 63.200 0.234 0.000 0.786 377 S HN 0.302 nan 8.310 nan 0.000 0.492 378 I N 1.360 121.958 120.570 0.046 0.000 2.179 378 I HA -0.166 4.006 4.170 0.003 0.000 0.242 378 I C 1.872 177.991 176.117 0.004 0.000 1.088 378 I CA 0.931 62.250 61.300 0.031 0.000 1.357 378 I CB -0.292 37.689 38.000 -0.033 0.000 1.051 378 I HN 0.251 nan 8.210 nan 0.000 0.409 379 I N 0.822 121.390 120.570 -0.005 0.000 2.286 379 I HA -0.248 3.924 4.170 0.003 0.000 0.248 379 I C 2.170 178.331 176.117 0.072 0.000 1.115 379 I CA 1.425 62.743 61.300 0.030 0.000 1.392 379 I CB -1.683 36.321 38.000 0.007 0.000 1.065 379 I HN 0.320 nan 8.210 nan 0.000 0.418 380 N N 1.525 120.244 118.700 0.032 0.000 2.084 380 N HA -0.126 4.616 4.740 0.003 0.000 0.190 380 N C 1.973 177.428 175.510 -0.091 0.000 1.030 380 N CA 1.762 54.816 53.050 0.007 0.000 0.849 380 N CB -0.335 38.180 38.487 0.047 0.000 1.012 380 N HN 0.369 nan 8.380 nan 0.000 0.423 381 A N 0.289 122.993 122.820 -0.193 0.000 1.902 381 A HA -0.193 4.129 4.320 0.003 0.000 0.217 381 A C 2.181 179.553 177.584 -0.353 0.000 1.181 381 A CA 1.266 52.948 52.037 -0.592 0.000 0.623 381 A CB -1.033 17.428 19.000 -0.898 0.000 0.818 381 A HN 0.456 nan 8.150 nan 0.000 0.443 382 Y N 1.428 121.594 120.300 -0.224 0.000 2.145 382 Y HA -0.236 4.316 4.550 0.003 0.000 0.286 382 Y C 2.102 177.922 175.900 -0.134 0.000 1.145 382 Y CA 2.170 60.192 58.100 -0.131 0.000 1.148 382 Y CB -0.316 38.077 38.460 -0.113 0.000 0.981 382 Y HN 0.314 nan 8.280 nan 0.000 0.507 383 N N 0.629 119.223 118.700 -0.176 0.000 2.223 383 N HA -0.153 4.588 4.740 0.003 0.000 0.185 383 N C 1.448 176.833 175.510 -0.208 0.000 1.016 383 N CA 1.786 54.692 53.050 -0.241 0.000 0.863 383 N CB -0.256 38.190 38.487 -0.068 0.000 0.983 383 N HN 0.613 nan 8.380 nan 0.000 0.429 384 E N -0.737 119.366 120.200 -0.162 0.000 2.385 384 E HA 0.041 4.393 4.350 0.003 0.000 0.194 384 E C 1.236 177.823 176.600 -0.021 0.000 1.013 384 E CA 0.596 56.950 56.400 -0.076 0.000 0.866 384 E CB 0.272 29.941 29.700 -0.052 0.000 0.832 384 E HN 0.352 nan 8.360 nan 0.000 0.500 385 S N -2.562 113.100 115.700 -0.063 0.000 2.684 385 S HA 0.311 4.782 4.470 0.003 0.000 0.268 385 S C 1.480 176.130 174.600 0.084 0.000 1.075 385 S CA 0.290 58.556 58.200 0.109 0.000 1.184 385 S CB 1.054 64.440 63.200 0.309 0.000 1.129 385 S HN 0.261 nan 8.310 nan 0.000 0.630 386 G N 0.527 109.210 108.800 -0.194 0.000 2.213 386 G HA2 -0.165 3.797 3.960 0.003 0.000 0.236 386 G HA3 -0.165 3.797 3.960 0.003 0.000 0.236 386 G C -0.149 174.475 174.900 -0.461 0.000 0.991 386 G CA 0.188 45.026 45.100 -0.436 0.000 0.629 386 G HN 0.545 nan 8.290 nan 0.000 0.517 387 F N 0.202 120.217 119.950 0.107 0.000 2.599 387 F HA 0.750 5.279 4.527 0.003 0.000 0.311 387 F C 0.630 176.609 175.800 0.298 0.000 1.076 387 F CA -1.081 57.085 58.000 0.277 0.000 0.937 387 F CB 1.519 40.591 39.000 0.120 0.000 1.282 387 F HN -0.044 nan 8.300 nan 0.000 0.460 388 M N 4.105 123.990 119.600 0.475 0.000 2.243 388 M HA 0.263 4.745 4.480 0.003 0.000 0.341 388 M C -2.315 174.221 176.300 0.393 0.000 1.130 388 M CA -1.420 54.065 55.300 0.308 0.000 1.162 388 M CB 0.609 33.302 32.600 0.156 0.000 1.497 388 M HN 0.167 nan 8.290 nan 0.000 0.456 389 P HA 0.126 nan 4.420 nan 0.000 0.274 389 P C -0.663 176.817 177.300 0.301 0.000 1.231 389 P CA 0.010 63.337 63.100 0.378 0.000 0.790 389 P CB 1.140 32.957 31.700 0.195 0.000 0.951 390 E N 0.396 120.708 120.200 0.186 0.000 2.756 390 E HA 0.079 4.430 4.350 0.003 0.000 0.192 390 E C -0.220 176.299 176.600 -0.135 0.000 1.022 390 E CA 0.642 57.114 56.400 0.121 0.000 1.224 390 E CB -0.074 29.758 29.700 0.221 0.000 1.252 390 E HN 0.465 nan 8.360 nan 0.000 0.494 391 W N 1.004 122.286 121.300 -0.030 0.000 2.429 391 W HA 0.565 5.227 4.660 0.003 0.000 0.314 391 W C -0.739 175.739 176.519 -0.068 0.000 1.062 391 W CA -0.299 57.008 57.345 -0.062 0.000 1.211 391 W CB 1.540 31.006 29.460 0.011 0.000 1.305 391 W HN 0.010 nan 8.180 nan 0.000 0.476 392 A N 3.320 126.300 122.820 0.267 0.000 2.356 392 A HA 0.751 5.073 4.320 0.003 0.000 0.310 392 A C -0.967 176.722 177.584 0.176 0.000 1.075 392 A CA -0.558 51.554 52.037 0.125 0.000 0.746 392 A CB 1.907 20.893 19.000 -0.023 0.000 1.221 392 A HN 0.346 nan 8.150 nan 0.000 0.443 393 S N 3.706 119.391 115.700 -0.026 0.000 2.428 393 S HA 0.451 4.922 4.470 0.003 0.000 0.269 393 S C -2.198 172.139 174.600 -0.438 0.000 1.026 393 S CA -0.400 57.760 58.200 -0.067 0.000 1.019 393 S CB 1.285 64.591 63.200 0.177 0.000 1.191 393 S HN 0.456 nan 8.310 nan 0.000 0.429 394 P HA -0.081 nan 4.420 nan 0.000 0.220 394 P C 0.985 177.810 177.300 -0.791 0.000 1.155 394 P CA 1.805 64.340 63.100 -0.941 0.000 0.880 394 P CB -0.184 30.723 31.700 -1.323 0.000 0.790 395 G N -1.602 106.747 108.800 -0.752 0.000 2.736 395 G HA2 0.223 4.185 3.960 0.003 0.000 0.229 395 G HA3 0.223 4.185 3.960 0.003 0.000 0.229 395 G C -0.597 174.058 174.900 -0.408 0.000 1.380 395 G CA -0.455 44.105 45.100 -0.900 0.000 1.040 395 G HN 0.127 nan 8.290 nan 0.000 0.568 396 H N 0.915 119.924 119.070 -0.103 0.000 2.964 396 H HA 0.197 4.755 4.556 0.003 0.000 0.328 396 H C 0.233 175.503 175.328 -0.097 0.000 1.030 396 H CA 0.558 56.602 56.048 -0.007 0.000 1.445 396 H CB 0.478 30.227 29.762 -0.021 0.000 1.449 396 H HN 0.115 nan 8.280 nan 0.000 0.581 397 R N 1.564 122.119 120.500 0.092 0.000 2.621 397 R HA 0.265 4.606 4.340 0.003 0.000 0.292 397 R C 0.294 176.598 176.300 0.007 0.000 0.969 397 R CA -0.953 55.144 56.100 -0.006 0.000 0.887 397 R CB 2.022 32.294 30.300 -0.045 0.000 1.180 397 R HN 0.777 nan 8.270 nan 0.000 0.450 398 G N 1.067 109.837 108.800 -0.050 0.000 2.508 398 G HA2 0.276 4.238 3.960 0.003 0.000 0.301 398 G HA3 0.276 4.238 3.960 0.003 0.000 0.301 398 G C -0.406 174.485 174.900 -0.016 0.000 0.965 398 G CA 0.016 45.095 45.100 -0.036 0.000 1.339 398 G HN 0.480 nan 8.290 nan 0.000 0.455 399 C N 5.448 124.757 119.300 0.015 0.000 2.871 399 C HA 0.641 5.103 4.460 0.003 0.000 0.378 399 C C 0.030 175.072 174.990 0.087 0.000 1.052 399 C CA -0.610 58.390 59.018 -0.030 0.000 1.250 399 C CB 0.306 27.841 27.740 -0.343 0.000 1.689 399 C HN 0.974 nan 8.230 nan 0.000 0.506 400 M N 3.250 122.810 119.600 -0.067 0.000 7.319 400 M HA -0.204 4.278 4.480 0.003 0.000 0.145 400 M C -0.268 175.947 176.300 -0.142 0.000 0.480 400 M CA 1.979 57.144 55.300 -0.226 0.000 1.311 400 M CB -1.948 30.503 32.600 -0.248 0.000 0.421 400 M HN 1.032 nan 8.290 nan 0.000 0.551 401 I N -2.929 117.531 120.570 -0.184 0.000 3.279 401 I HA 0.898 5.070 4.170 0.003 0.000 0.315 401 I C 0.379 176.647 176.117 0.251 0.000 1.225 401 I CA -0.227 61.079 61.300 0.010 0.000 0.947 401 I CB 1.907 39.864 38.000 -0.073 0.000 1.293 401 I HN 1.721 nan 8.210 nan 0.000 0.468 402 G N 2.085 111.074 108.800 0.316 0.000 2.712 402 G HA2 -0.143 3.819 3.960 0.003 0.000 0.683 402 G HA3 -0.143 3.819 3.960 0.003 0.000 0.683 402 G C -1.114 173.986 174.900 0.333 0.000 1.320 402 G CA -0.331 45.017 45.100 0.414 0.000 0.847 402 G HN 0.900 nan 8.290 nan 0.000 0.553 403 N N 0.488 119.339 118.700 0.252 0.000 2.660 403 N HA 0.174 4.915 4.740 0.003 0.000 0.316 403 N C 0.896 176.424 175.510 0.030 0.000 1.774 403 N CA -0.218 52.898 53.050 0.109 0.000 0.946 403 N CB 0.271 38.760 38.487 0.002 0.000 1.322 403 N HN 0.548 nan 8.380 nan 0.000 0.492 404 N N -0.459 118.292 118.700 0.085 0.000 2.515 404 N HA -0.094 4.648 4.740 0.003 0.000 0.185 404 N C 1.719 177.151 175.510 -0.129 0.000 1.109 404 N CA 0.349 53.344 53.050 -0.091 0.000 0.903 404 N CB 0.296 38.724 38.487 -0.098 0.000 0.969 404 N HN 0.228 nan 8.380 nan 0.000 0.450 405 S N -0.156 115.526 115.700 -0.030 0.000 2.383 405 S HA -0.143 4.329 4.470 0.003 0.000 0.229 405 S C 1.981 176.363 174.600 -0.363 0.000 1.030 405 S CA 0.876 58.898 58.200 -0.296 0.000 1.002 405 S CB -0.721 62.504 63.200 0.042 0.000 0.829 405 S HN 0.051 nan 8.310 nan 0.000 0.467 406 V N 1.889 121.636 119.914 -0.280 0.000 2.287 406 V HA -0.177 3.945 4.120 0.003 0.000 0.248 406 V C 2.996 178.877 176.094 -0.355 0.000 1.053 406 V CA 2.025 64.112 62.300 -0.354 0.000 1.027 406 V CB -1.324 30.294 31.823 -0.343 0.000 0.646 406 V HN 0.689 nan 8.190 nan 0.000 0.447 407 S N -0.348 115.169 115.700 -0.305 0.000 2.374 407 S HA -0.231 4.241 4.470 0.003 0.000 0.227 407 S C 1.914 176.427 174.600 -0.146 0.000 1.037 407 S CA 1.970 60.060 58.200 -0.184 0.000 1.024 407 S CB -0.331 62.813 63.200 -0.094 0.000 0.861 407 S HN 0.374 nan 8.310 nan 0.000 0.456 408 L N 1.328 122.389 121.223 -0.270 0.000 2.017 408 L HA -0.026 4.316 4.340 0.003 0.000 0.208 408 L C 2.414 179.147 176.870 -0.229 0.000 1.073 408 L CA 1.536 56.192 54.840 -0.307 0.000 0.745 408 L CB -0.746 40.918 42.059 -0.657 0.000 0.894 408 L HN 0.355 nan 8.230 nan 0.000 0.432 409 L N -1.764 119.284 121.223 -0.291 0.000 2.012 409 L HA -0.227 4.114 4.340 0.003 0.000 0.210 409 L C 2.395 179.183 176.870 -0.136 0.000 1.073 409 L CA 0.985 55.678 54.840 -0.245 0.000 0.748 409 L CB -0.661 41.145 42.059 -0.423 0.000 0.891 409 L HN 0.093 nan 8.230 nan 0.000 0.431 410 V N -0.411 119.382 119.914 -0.202 0.000 2.407 410 V HA -0.257 3.865 4.120 0.003 0.000 0.245 410 V C 2.124 178.257 176.094 0.065 0.000 1.041 410 V CA 1.892 64.152 62.300 -0.067 0.000 1.040 410 V CB -0.422 31.282 31.823 -0.199 0.000 0.671 410 V HN 0.436 nan 8.190 nan 0.000 0.455 411 D N 0.569 120.980 120.400 0.019 0.000 2.104 411 D HA -0.188 4.454 4.640 0.003 0.000 0.194 411 D C 2.123 178.440 176.300 0.030 0.000 0.994 411 D CA 1.720 55.742 54.000 0.037 0.000 0.830 411 D CB -0.140 40.689 40.800 0.048 0.000 0.959 411 D HN 0.362 nan 8.370 nan 0.000 0.452 412 A N 0.317 123.166 122.820 0.048 0.000 1.902 412 A HA -0.174 4.148 4.320 0.003 0.000 0.217 412 A C 2.286 179.924 177.584 0.090 0.000 1.181 412 A CA 1.350 53.419 52.037 0.053 0.000 0.623 412 A CB -1.417 17.619 19.000 0.060 0.000 0.818 412 A HN 0.626 nan 8.150 nan 0.000 0.443 413 W N 0.252 121.546 121.300 -0.010 0.000 2.335 413 W HA -0.197 4.464 4.660 0.003 0.000 0.311 413 W C 1.583 178.098 176.519 -0.007 0.000 1.213 413 W CA 2.163 59.529 57.345 0.034 0.000 1.274 413 W CB -0.253 29.310 29.460 0.172 0.000 1.148 413 W HN 0.276 nan 8.180 nan 0.000 0.498 414 M N 0.431 120.137 119.600 0.178 0.000 2.557 414 M HA -0.083 4.399 4.480 0.003 0.000 0.259 414 M C 1.199 177.468 176.300 -0.050 0.000 1.086 414 M CA 1.314 56.648 55.300 0.056 0.000 1.096 414 M CB -1.122 31.511 32.600 0.055 0.000 1.424 414 M HN -0.042 nan 8.290 nan 0.000 0.488 415 K N -0.240 120.094 120.400 -0.110 0.000 2.410 415 K HA 0.321 4.643 4.320 0.003 0.000 0.200 415 K C 0.991 177.546 176.600 -0.075 0.000 1.023 415 K CA 0.356 56.526 56.287 -0.195 0.000 1.149 415 K CB 0.291 32.476 32.500 -0.524 0.000 0.859 415 K HN 0.449 nan 8.250 nan 0.000 0.514 416 G N 1.704 110.417 108.800 -0.145 0.000 2.176 416 G HA2 -0.259 3.703 3.960 0.003 0.000 0.253 416 G HA3 -0.259 3.703 3.960 0.003 0.000 0.253 416 G C 0.108 174.894 174.900 -0.190 0.000 0.979 416 G CA -0.282 44.706 45.100 -0.186 0.000 0.641 416 G HN 0.276 nan 8.290 nan 0.000 0.530 417 I N 1.274 121.759 120.570 -0.141 0.000 2.281 417 I HA 0.315 4.487 4.170 0.003 0.000 0.293 417 I C 0.434 176.478 176.117 -0.122 0.000 1.085 417 I CA 0.188 61.437 61.300 -0.085 0.000 1.257 417 I CB 0.923 38.920 38.000 -0.005 0.000 1.430 417 I HN 0.127 nan 8.210 nan 0.000 0.489 418 Q N 4.245 123.930 119.800 -0.192 0.000 3.300 418 Q HA 0.152 4.494 4.340 0.003 0.000 0.271 418 Q C 0.706 176.700 176.000 -0.009 0.000 0.926 418 Q CA -0.205 55.448 55.803 -0.250 0.000 0.788 418 Q CB 1.155 29.333 28.738 -0.933 0.000 1.385 418 Q HN 0.775 nan 8.270 nan 0.000 0.424 419 T N -3.909 110.701 114.554 0.093 0.000 3.037 419 T HA 0.122 4.473 4.350 0.003 0.000 0.251 419 T C 0.934 175.721 174.700 0.145 0.000 1.079 419 T CA 0.126 62.283 62.100 0.096 0.000 1.067 419 T CB 0.043 68.955 68.868 0.074 0.000 0.948 419 T HN 0.262 nan 8.240 nan 0.000 0.496 420 V N 0.262 120.303 119.914 0.212 0.000 2.863 420 V HA 0.547 4.669 4.120 0.003 0.000 0.307 420 V C -0.280 175.948 176.094 0.224 0.000 1.061 420 V CA -1.376 61.028 62.300 0.173 0.000 1.024 420 V CB 1.001 32.889 31.823 0.108 0.000 1.049 420 V HN 0.244 nan 8.190 nan 0.000 0.471 421 D N 2.213 122.689 120.400 0.126 0.000 2.390 421 D HA 0.483 5.125 4.640 0.003 0.000 0.249 421 D C 1.048 177.384 176.300 0.061 0.000 1.144 421 D CA 0.574 54.639 54.000 0.109 0.000 0.880 421 D CB 1.732 42.567 40.800 0.058 0.000 1.182 421 D HN 0.887 nan 8.370 nan 0.000 0.451 422 A N 4.347 127.206 122.820 0.066 0.000 1.858 422 A HA -0.200 4.122 4.320 0.003 0.000 0.216 422 A C 1.931 179.478 177.584 -0.062 0.000 1.190 422 A CA 1.191 53.171 52.037 -0.094 0.000 0.617 422 A CB -0.522 18.384 19.000 -0.156 0.000 0.827 422 A HN 0.750 nan 8.150 nan 0.000 0.443 423 E N -0.228 119.942 120.200 -0.050 0.000 2.077 423 E HA -0.226 4.126 4.350 0.003 0.000 0.193 423 E C 2.016 178.571 176.600 -0.076 0.000 0.989 423 E CA 1.631 57.997 56.400 -0.057 0.000 0.800 423 E CB -0.284 29.393 29.700 -0.039 0.000 0.746 423 E HN 0.569 nan 8.360 nan 0.000 0.452 424 K N 1.444 121.805 120.400 -0.065 0.000 2.057 424 K HA -0.063 4.259 4.320 0.003 0.000 0.207 424 K C 1.956 178.431 176.600 -0.209 0.000 1.049 424 K CA 1.530 57.763 56.287 -0.089 0.000 0.931 424 K CB -0.508 31.972 32.500 -0.033 0.000 0.714 424 K HN 0.061 nan 8.250 nan 0.000 0.440 425 A N 0.646 123.335 122.820 -0.218 0.000 1.877 425 A HA -0.108 4.214 4.320 0.003 0.000 0.216 425 A C 2.151 179.455 177.584 -0.466 0.000 1.186 425 A CA 1.644 53.452 52.037 -0.382 0.000 0.620 425 A CB -0.801 17.947 19.000 -0.419 0.000 0.822 425 A HN 0.371 nan 8.150 nan 0.000 0.443 426 L N 0.312 121.366 121.223 -0.281 0.000 2.046 426 L HA -0.174 4.168 4.340 0.003 0.000 0.208 426 L C 2.363 179.072 176.870 -0.269 0.000 1.077 426 L CA 2.726 57.422 54.840 -0.241 0.000 0.747 426 L CB -0.623 41.408 42.059 -0.047 0.000 0.896 426 L HN 0.642 nan 8.230 nan 0.000 0.432 427 E N -0.511 119.553 120.200 -0.226 0.000 2.085 427 E HA -0.256 4.096 4.350 0.003 0.000 0.194 427 E C 2.002 178.424 176.600 -0.295 0.000 0.994 427 E CA 1.263 57.547 56.400 -0.195 0.000 0.801 427 E CB -0.170 29.456 29.700 -0.123 0.000 0.743 427 E HN 0.596 nan 8.360 nan 0.000 0.453 428 A N 0.912 123.389 122.820 -0.572 0.000 1.930 428 A HA -0.140 4.182 4.320 0.003 0.000 0.217 428 A C 2.223 179.529 177.584 -0.464 0.000 1.175 428 A CA 1.536 53.020 52.037 -0.922 0.000 0.627 428 A CB -0.463 17.624 19.000 -1.522 0.000 0.815 428 A HN 0.308 nan 8.150 nan 0.000 0.443 429 M N -0.673 118.662 119.600 -0.443 0.000 2.086 429 M HA -0.102 4.380 4.480 0.003 0.000 0.261 429 M C 2.110 178.240 176.300 -0.283 0.000 1.067 429 M CA 1.648 56.718 55.300 -0.384 0.000 1.116 429 M CB -0.539 31.756 32.600 -0.507 0.000 1.348 429 M HN 0.370 nan 8.290 nan 0.000 0.407 430 I N -0.846 119.572 120.570 -0.254 0.000 2.226 430 I HA -0.321 3.851 4.170 0.003 0.000 0.245 430 I C 2.552 178.613 176.117 -0.094 0.000 1.100 430 I CA 1.619 62.833 61.300 -0.142 0.000 1.374 430 I CB -0.570 37.375 38.000 -0.092 0.000 1.057 430 I HN 0.357 nan 8.210 nan 0.000 0.413 431 H N 0.598 119.558 119.070 -0.184 0.000 2.421 431 H HA -0.230 4.327 4.556 0.003 0.000 0.298 431 H C 2.161 177.389 175.328 -0.166 0.000 1.087 431 H CA 1.689 57.629 56.048 -0.180 0.000 1.330 431 H CB 0.063 29.736 29.762 -0.148 0.000 1.388 431 H HN 0.199 nan 8.280 nan 0.000 0.526 432 Q N -0.048 119.670 119.800 -0.138 0.000 2.224 432 Q HA -0.088 4.254 4.340 0.003 0.000 0.203 432 Q C 2.070 177.947 176.000 -0.206 0.000 0.970 432 Q CA 1.804 57.555 55.803 -0.087 0.000 0.865 432 Q CB -0.093 28.624 28.738 -0.036 0.000 0.922 432 Q HN 0.665 nan 8.270 nan 0.000 0.445 433 T N -3.334 111.072 114.554 -0.245 0.000 3.060 433 T HA 0.117 4.469 4.350 0.003 0.000 0.249 433 T C 1.036 175.505 174.700 -0.385 0.000 1.079 433 T CA -0.034 61.903 62.100 -0.272 0.000 1.013 433 T CB 0.266 69.073 68.868 -0.102 0.000 0.975 433 T HN 0.073 nan 8.240 nan 0.000 0.518 434 Q N 0.542 120.013 119.800 -0.549 0.000 2.135 434 Q HA 0.655 4.997 4.340 0.003 0.000 0.222 434 Q C -0.045 175.133 176.000 -1.370 0.000 0.808 434 Q CA -0.061 55.253 55.803 -0.814 0.000 1.049 434 Q CB 1.495 30.012 28.738 -0.369 0.000 1.168 434 Q HN 0.690 nan 8.270 nan 0.000 0.483 435 A N 0.396 122.473 122.820 -1.237 0.000 2.601 435 A HA 0.799 5.121 4.320 0.003 0.000 0.291 435 A C -1.379 176.067 177.584 -0.230 0.000 1.075 435 A CA -0.650 50.912 52.037 -0.791 0.000 0.671 435 A CB 1.852 20.497 19.000 -0.593 0.000 1.277 435 A HN 0.066 nan 8.150 nan 0.000 0.417 436 R N 0.596 121.157 120.500 0.101 0.000 2.651 436 R HA 0.315 4.657 4.340 0.003 0.000 0.278 436 R C -1.145 175.118 176.300 -0.061 0.000 1.010 436 R CA -0.656 55.456 56.100 0.020 0.000 0.896 436 R CB 1.407 31.786 30.300 0.132 0.000 1.211 436 R HN 1.035 nan 8.270 nan 0.000 0.456 437 H N 2.006 120.722 119.070 -0.591 0.000 2.972 437 H HA -0.018 4.539 4.556 0.003 0.000 0.343 437 H C 0.651 175.892 175.328 -0.144 0.000 1.054 437 H CA 1.353 57.124 56.048 -0.462 0.000 1.412 437 H CB 1.534 30.927 29.762 -0.616 0.000 1.385 437 H HN 0.795 nan 8.280 nan 0.000 0.600 438 A N 4.767 127.435 122.820 -0.254 0.000 1.940 438 A HA -0.176 4.146 4.320 0.003 0.000 0.219 438 A C 1.798 179.409 177.584 0.045 0.000 1.176 438 A CA 1.831 53.821 52.037 -0.079 0.000 0.631 438 A CB -0.031 18.897 19.000 -0.120 0.000 0.814 438 A HN 0.865 nan 8.150 nan 0.000 0.446 439 E N -0.995 119.334 120.200 0.213 0.000 2.485 439 E HA 0.216 4.568 4.350 0.003 0.000 0.213 439 E C -0.008 176.655 176.600 0.105 0.000 0.923 439 E CA -0.078 56.416 56.400 0.157 0.000 1.054 439 E CB -0.023 29.751 29.700 0.124 0.000 1.077 439 E HN 0.588 nan 8.360 nan 0.000 0.509 440 I N 2.212 122.847 120.570 0.109 0.000 2.306 440 I HA 0.283 4.454 4.170 0.003 0.000 0.288 440 I C 1.143 177.195 176.117 -0.108 0.000 1.036 440 I CA -0.491 60.723 61.300 -0.144 0.000 1.221 440 I CB 1.669 39.387 38.000 -0.469 0.000 1.385 440 I HN -0.063 nan 8.210 nan 0.000 0.472 441 A N 4.309 127.099 122.820 -0.050 0.000 1.933 441 A HA -0.170 4.152 4.320 0.003 0.000 0.218 441 A C 2.309 179.877 177.584 -0.027 0.000 1.175 441 A CA 2.071 54.096 52.037 -0.021 0.000 0.628 441 A CB -0.450 18.552 19.000 0.003 0.000 0.814 441 A HN 0.765 nan 8.150 nan 0.000 0.444 442 S N -1.009 114.669 115.700 -0.037 0.000 2.555 442 S HA 0.121 4.593 4.470 0.003 0.000 0.230 442 S C 0.386 174.963 174.600 -0.039 0.000 0.978 442 S CA 0.486 58.687 58.200 0.002 0.000 0.934 442 S CB -0.510 62.716 63.200 0.044 0.000 0.766 442 S HN 0.142 nan 8.310 nan 0.000 0.533 443 V N 2.486 122.291 119.914 -0.182 0.000 2.333 443 V HA 0.685 4.807 4.120 0.003 0.000 0.274 443 V C 1.008 176.827 176.094 -0.460 0.000 1.028 443 V CA 0.315 62.408 62.300 -0.346 0.000 0.851 443 V CB -0.286 31.136 31.823 -0.668 0.000 1.000 443 V HN 0.772 nan 8.190 nan 0.000 0.456 444 G N 5.096 113.771 108.800 -0.209 0.000 2.484 444 G HA2 -0.183 3.778 3.960 0.003 0.000 0.225 444 G HA3 -0.183 3.778 3.960 0.003 0.000 0.225 444 G C -0.221 174.632 174.900 -0.077 0.000 1.250 444 G CA 0.020 45.075 45.100 -0.075 0.000 0.926 444 G HN 0.855 nan 8.290 nan 0.000 0.581 445 R N 0.692 121.130 120.500 -0.103 0.000 2.363 445 R HA 0.444 4.786 4.340 0.003 0.000 0.297 445 R C -0.747 175.594 176.300 0.067 0.000 1.208 445 R CA -0.434 55.568 56.100 -0.164 0.000 1.121 445 R CB 0.353 30.390 30.300 -0.439 0.000 1.124 445 R HN 0.580 nan 8.270 nan 0.000 0.561 446 D N 2.683 123.165 120.400 0.137 0.000 2.472 446 D HA 0.104 4.746 4.640 0.003 0.000 0.248 446 D C 1.008 177.444 176.300 0.226 0.000 1.174 446 D CA 2.145 56.248 54.000 0.172 0.000 0.883 446 D CB 0.710 41.596 40.800 0.143 0.000 1.149 446 D HN 0.797 nan 8.370 nan 0.000 0.488 447 G N 3.439 112.327 108.800 0.147 0.000 2.132 447 G HA2 -0.342 3.620 3.960 0.003 0.000 0.234 447 G HA3 -0.342 3.620 3.960 0.003 0.000 0.234 447 G C 0.803 175.767 174.900 0.107 0.000 0.989 447 G CA 0.362 45.552 45.100 0.150 0.000 0.676 447 G HN 0.603 nan 8.290 nan 0.000 0.522 448 F N 0.644 120.592 119.950 -0.004 0.000 2.171 448 F HA 0.166 4.695 4.527 0.003 0.000 0.300 448 F C 2.000 177.814 175.800 0.024 0.000 1.090 448 F CA 1.628 59.603 58.000 -0.042 0.000 1.293 448 F CB -0.509 38.407 39.000 -0.141 0.000 1.013 448 F HN 0.267 nan 8.300 nan 0.000 0.486 449 E N 0.528 120.191 120.200 -0.895 0.000 2.023 449 E HA -0.215 4.136 4.350 0.003 0.000 0.196 449 E C 1.983 178.425 176.600 -0.264 0.000 1.003 449 E CA 2.194 58.225 56.400 -0.614 0.000 0.809 449 E CB -0.952 28.274 29.700 -0.791 0.000 0.755 449 E HN 0.490 nan 8.360 nan 0.000 0.449 450 Y N -0.471 119.713 120.300 -0.192 0.000 2.114 450 Y HA -0.277 4.275 4.550 0.003 0.000 0.282 450 Y C 2.358 178.189 175.900 -0.115 0.000 1.165 450 Y CA 1.556 59.562 58.100 -0.157 0.000 1.148 450 Y CB -0.992 37.385 38.460 -0.139 0.000 0.972 450 Y HN 0.198 nan 8.280 nan 0.000 0.504 451 Y N 1.025 121.355 120.300 0.050 0.000 2.181 451 Y HA -0.262 4.289 4.550 0.003 0.000 0.288 451 Y C 2.054 177.952 175.900 -0.004 0.000 1.146 451 Y CA 1.909 60.034 58.100 0.041 0.000 1.164 451 Y CB -0.367 38.194 38.460 0.169 0.000 0.982 451 Y HN 0.084 nan 8.280 nan 0.000 0.515 452 D N -0.355 120.136 120.400 0.151 0.000 2.117 452 D HA -0.184 4.457 4.640 0.003 0.000 0.197 452 D C 2.289 178.539 176.300 -0.083 0.000 0.987 452 D CA 1.566 55.579 54.000 0.021 0.000 0.829 452 D CB -0.343 40.510 40.800 0.088 0.000 0.961 452 D HN 0.218 nan 8.370 nan 0.000 0.460 453 K N 0.132 120.482 120.400 -0.082 0.000 2.031 453 K HA 0.054 4.376 4.320 0.003 0.000 0.205 453 K C 2.276 178.786 176.600 -0.150 0.000 1.049 453 K CA 0.412 56.639 56.287 -0.101 0.000 0.939 453 K CB -0.498 31.950 32.500 -0.087 0.000 0.717 453 K HN 0.216 nan 8.250 nan 0.000 0.438 454 L N -1.500 119.584 121.223 -0.232 0.000 2.408 454 L HA 0.346 4.688 4.340 0.003 0.000 0.215 454 L C 1.871 178.531 176.870 -0.350 0.000 1.081 454 L CA 0.704 55.319 54.840 -0.375 0.000 0.840 454 L CB 0.147 41.743 42.059 -0.771 0.000 1.002 454 L HN 0.630 nan 8.230 nan 0.000 0.468 455 G N -0.048 108.533 108.800 -0.364 0.000 2.175 455 G HA2 -0.307 3.655 3.960 0.003 0.000 0.244 455 G HA3 -0.307 3.655 3.960 0.003 0.000 0.244 455 G C 0.025 174.804 174.900 -0.201 0.000 0.982 455 G CA 0.279 45.188 45.100 -0.318 0.000 0.641 455 G HN 0.454 nan 8.290 nan 0.000 0.527 456 Y N -2.759 117.433 120.300 -0.180 0.000 2.677 456 Y HA 0.671 5.222 4.550 0.003 0.000 0.334 456 Y C -0.536 175.438 175.900 0.123 0.000 1.196 456 Y CA -1.659 56.447 58.100 0.009 0.000 1.059 456 Y CB 0.814 39.255 38.460 -0.032 0.000 1.315 456 Y HN 0.406 nan 8.280 nan 0.000 0.455 457 V N 3.960 124.097 119.914 0.371 0.000 2.432 457 V HA 0.488 4.609 4.120 0.003 0.000 0.275 457 V C -2.196 174.014 176.094 0.194 0.000 1.043 457 V CA -1.709 60.724 62.300 0.222 0.000 0.925 457 V CB 1.160 33.117 31.823 0.223 0.000 0.985 457 V HN 0.648 nan 8.190 nan 0.000 0.466 458 P HA 0.297 nan 4.420 nan 0.000 0.286 458 P C -1.617 175.631 177.300 -0.086 0.000 1.261 458 P CA -0.542 62.532 63.100 -0.044 0.000 0.821 458 P CB 1.084 32.555 31.700 -0.381 0.000 1.013 459 Y N 4.790 124.971 120.300 -0.198 0.000 2.332 459 Y HA 0.418 4.970 4.550 0.003 0.000 0.326 459 Y C -2.208 173.578 175.900 -0.191 0.000 0.978 459 Y CA -2.192 55.780 58.100 -0.214 0.000 1.205 459 Y CB 2.380 40.674 38.460 -0.275 0.000 1.131 459 Y HN 0.230 nan 8.280 nan 0.000 0.462 460 P HA 0.196 nan 4.420 nan 0.000 0.312 460 P C 0.091 177.018 177.300 -0.621 0.000 1.397 460 P CA 0.124 62.417 63.100 -1.345 0.000 1.197 460 P CB 1.070 32.202 31.700 -0.946 0.000 1.605 461 E N 0.167 120.144 120.200 -0.371 0.000 2.118 461 E HA -0.057 4.295 4.350 0.003 0.000 0.195 461 E C 0.632 177.163 176.600 -0.115 0.000 0.992 461 E CA 1.220 57.491 56.400 -0.215 0.000 0.804 461 E CB -0.231 29.297 29.700 -0.286 0.000 0.741 461 E HN 0.102 nan 8.360 nan 0.000 0.458 462 V N 1.615 121.468 119.914 -0.101 0.000 2.531 462 V HA 0.278 4.399 4.120 0.003 0.000 0.301 462 V C -2.519 173.615 176.094 0.066 0.000 1.034 462 V CA -2.346 59.959 62.300 0.008 0.000 0.865 462 V CB 1.865 33.725 31.823 0.062 0.000 0.995 462 V HN -0.074 nan 8.190 nan 0.000 0.424 463 P HA 0.167 nan 4.420 nan 0.000 0.265 463 P C 0.201 177.511 177.300 0.017 0.000 1.193 463 P CA 0.345 63.510 63.100 0.107 0.000 0.765 463 P CB 0.213 31.940 31.700 0.045 0.000 0.823 464 E N 0.695 120.854 120.200 -0.069 0.000 2.868 464 E HA -0.298 4.054 4.350 0.003 0.000 0.278 464 E C 1.077 177.500 176.600 -0.296 0.000 1.009 464 E CA 0.400 56.650 56.400 -0.250 0.000 0.856 464 E CB -1.640 27.940 29.700 -0.200 0.000 1.428 464 E HN 0.551 nan 8.360 nan 0.000 0.423 465 A N -0.133 122.562 122.820 -0.209 0.000 1.917 465 A HA -0.262 4.059 4.320 0.003 0.000 0.219 465 A C 2.259 179.691 177.584 -0.253 0.000 1.182 465 A CA 2.235 54.179 52.037 -0.155 0.000 0.633 465 A CB -0.431 18.551 19.000 -0.030 0.000 0.819 465 A HN 0.351 nan 8.150 nan 0.000 0.448 466 T N -0.178 114.113 114.554 -0.439 0.000 2.812 466 T HA 0.098 4.449 4.350 0.003 0.000 0.264 466 T C 2.260 176.733 174.700 -0.379 0.000 1.042 466 T CA 1.379 63.234 62.100 -0.408 0.000 1.140 466 T CB -0.411 68.055 68.868 -0.669 0.000 0.870 466 T HN 0.597 nan 8.240 nan 0.000 0.445 467 A N 1.823 124.248 122.820 -0.658 0.000 1.933 467 A HA -0.134 4.188 4.320 0.003 0.000 0.218 467 A C 2.235 179.519 177.584 -0.500 0.000 1.175 467 A CA 1.571 53.039 52.037 -0.948 0.000 0.628 467 A CB -0.421 17.611 19.000 -1.612 0.000 0.814 467 A HN 0.449 nan 8.150 nan 0.000 0.444 468 K N -0.918 119.192 120.400 -0.485 0.000 2.026 468 K HA -0.109 4.212 4.320 0.003 0.000 0.208 468 K C 2.130 178.218 176.600 -0.854 0.000 1.048 468 K CA 1.790 57.662 56.287 -0.692 0.000 0.929 468 K CB -0.513 31.628 32.500 -0.598 0.000 0.713 468 K HN 0.462 nan 8.250 nan 0.000 0.439 469 T N 2.108 116.450 114.554 -0.354 0.000 2.699 469 T HA -0.141 4.210 4.350 0.003 0.000 0.268 469 T C 1.869 176.655 174.700 0.144 0.000 1.036 469 T CA 1.222 63.341 62.100 0.032 0.000 1.147 469 T CB -0.218 68.779 68.868 0.215 0.000 0.862 469 T HN 0.113 nan 8.240 nan 0.000 0.446 470 L N 0.599 121.892 121.223 0.117 0.000 2.056 470 L HA -0.059 4.283 4.340 0.003 0.000 0.207 470 L C 2.891 179.918 176.870 0.261 0.000 1.078 470 L CA 1.148 56.141 54.840 0.256 0.000 0.749 470 L CB -0.492 41.773 42.059 0.343 0.000 0.901 470 L HN 0.222 nan 8.230 nan 0.000 0.433 471 E N -0.395 119.933 120.200 0.213 0.000 2.072 471 E HA -0.198 4.154 4.350 0.003 0.000 0.191 471 E C 2.223 179.019 176.600 0.327 0.000 0.985 471 E CA 1.222 57.808 56.400 0.309 0.000 0.801 471 E CB -0.189 29.704 29.700 0.322 0.000 0.750 471 E HN 0.477 nan 8.360 nan 0.000 0.452 472 Y N 0.855 121.225 120.300 0.116 0.000 2.224 472 Y HA -0.082 4.470 4.550 0.003 0.000 0.289 472 Y C 2.480 178.438 175.900 0.097 0.000 1.146 472 Y CA 0.398 58.473 58.100 -0.042 0.000 1.182 472 Y CB -1.247 36.931 38.460 -0.470 0.000 0.983 472 Y HN 0.007 nan 8.280 nan 0.000 0.524 473 A N -0.576 122.488 122.820 0.406 0.000 1.902 473 A HA -0.247 4.075 4.320 0.003 0.000 0.217 473 A C 2.161 179.833 177.584 0.146 0.000 1.181 473 A CA 1.609 53.880 52.037 0.391 0.000 0.623 473 A CB -1.331 17.969 19.000 0.499 0.000 0.818 473 A HN 0.513 nan 8.150 nan 0.000 0.443 474 Y N 0.711 120.988 120.300 -0.038 0.000 2.163 474 Y HA -0.040 4.512 4.550 0.003 0.000 0.288 474 Y C 2.586 178.504 175.900 0.029 0.000 1.136 474 Y CA 1.132 59.102 58.100 -0.217 0.000 1.147 474 Y CB -0.725 37.706 38.460 -0.048 0.000 0.987 474 Y HN 0.287 nan 8.280 nan 0.000 0.509 475 A N 0.331 123.071 122.820 -0.133 0.000 1.908 475 A HA -0.207 4.114 4.320 0.003 0.000 0.218 475 A C 1.937 179.413 177.584 -0.181 0.000 1.181 475 A CA 2.096 53.985 52.037 -0.247 0.000 0.627 475 A CB -0.870 18.086 19.000 -0.072 0.000 0.818 475 A HN 0.568 nan 8.150 nan 0.000 0.445 476 D N -1.616 118.785 120.400 0.002 0.000 2.144 476 D HA -0.157 4.485 4.640 0.003 0.000 0.200 476 D C 1.574 177.876 176.300 0.003 0.000 0.978 476 D CA 1.225 55.303 54.000 0.129 0.000 0.833 476 D CB -0.482 40.487 40.800 0.281 0.000 0.961 476 D HN 0.783 nan 8.370 nan 0.000 0.470 477 W N 1.381 122.545 121.300 -0.228 0.000 2.338 477 W HA -0.270 4.392 4.660 0.003 0.000 0.304 477 W C 2.216 178.567 176.519 -0.279 0.000 1.212 477 W CA 1.192 58.391 57.345 -0.243 0.000 1.264 477 W CB -0.437 28.838 29.460 -0.309 0.000 1.142 477 W HN -0.050 nan 8.180 nan 0.000 0.512 478 C N 0.560 119.650 119.300 -0.349 0.000 2.413 478 C HA -0.234 4.227 4.460 0.003 0.000 0.276 478 C C 2.714 177.373 174.990 -0.551 0.000 1.236 478 C CA 1.465 60.152 59.018 -0.551 0.000 1.735 478 C CB -1.495 25.964 27.740 -0.469 0.000 2.031 478 C HN 0.395 nan 8.230 nan 0.000 0.474 479 I N 1.263 121.528 120.570 -0.509 0.000 2.286 479 I HA -0.203 3.969 4.170 0.003 0.000 0.248 479 I C 2.754 178.536 176.117 -0.559 0.000 1.115 479 I CA 1.506 62.462 61.300 -0.574 0.000 1.392 479 I CB -0.621 36.879 38.000 -0.834 0.000 1.065 479 I HN 0.298 nan 8.210 nan 0.000 0.418 480 A N 0.934 123.380 122.820 -0.622 0.000 1.877 480 A HA -0.200 4.122 4.320 0.003 0.000 0.216 480 A C 2.411 179.548 177.584 -0.746 0.000 1.186 480 A CA 1.370 52.928 52.037 -0.798 0.000 0.620 480 A CB -0.506 17.640 19.000 -1.423 0.000 0.822 480 A HN 0.247 nan 8.150 nan 0.000 0.443 481 R N -1.777 118.261 120.500 -0.770 0.000 2.091 481 R HA -0.150 4.192 4.340 0.003 0.000 0.238 481 R C 1.956 178.086 176.300 -0.284 0.000 1.136 481 R CA 1.582 57.390 56.100 -0.487 0.000 0.959 481 R CB -0.914 28.942 30.300 -0.740 0.000 0.856 481 R HN 0.635 nan 8.270 nan 0.000 0.437 482 F N 1.203 120.875 119.950 -0.464 0.000 2.084 482 F HA -0.133 4.395 4.527 0.003 0.000 0.296 482 F C 2.369 177.946 175.800 -0.372 0.000 1.111 482 F CA 1.425 59.163 58.000 -0.435 0.000 1.224 482 F CB -0.443 38.240 39.000 -0.530 0.000 0.991 482 F HN 0.014 nan 8.300 nan 0.000 0.471 483 A N -0.123 122.533 122.820 -0.273 0.000 1.902 483 A HA -0.259 4.062 4.320 0.003 0.000 0.217 483 A C 2.219 179.670 177.584 -0.222 0.000 1.181 483 A CA 1.829 53.701 52.037 -0.274 0.000 0.623 483 A CB -1.123 17.758 19.000 -0.198 0.000 0.818 483 A HN 0.587 nan 8.150 nan 0.000 0.443 484 E N 0.515 120.617 120.200 -0.162 0.000 2.097 484 E HA -0.223 4.129 4.350 0.003 0.000 0.196 484 E C 2.058 178.612 176.600 -0.077 0.000 1.000 484 E CA 1.836 58.206 56.400 -0.050 0.000 0.804 484 E CB -0.182 29.561 29.700 0.071 0.000 0.740 484 E HN 0.719 nan 8.360 nan 0.000 0.454 485 S N -0.112 115.507 115.700 -0.135 0.000 2.507 485 S HA -0.050 4.421 4.470 0.003 0.000 0.235 485 S C 1.822 176.357 174.600 -0.108 0.000 0.988 485 S CA 0.561 58.709 58.200 -0.086 0.000 0.944 485 S CB -0.199 62.987 63.200 -0.024 0.000 0.762 485 S HN 0.343 nan 8.310 nan 0.000 0.526 486 L N 0.209 121.298 121.223 -0.223 0.000 2.529 486 L HA 0.375 4.717 4.340 0.003 0.000 0.223 486 L C 1.998 178.805 176.870 -0.106 0.000 1.113 486 L CA 0.440 55.163 54.840 -0.195 0.000 0.861 486 L CB -0.393 41.462 42.059 -0.340 0.000 1.012 486 L HN 0.582 nan 8.230 nan 0.000 0.461 487 G N 0.430 109.180 108.800 -0.083 0.000 2.179 487 G HA2 -0.255 3.707 3.960 0.003 0.000 0.220 487 G HA3 -0.255 3.707 3.960 0.003 0.000 0.220 487 G C 0.333 175.208 174.900 -0.041 0.000 0.990 487 G CA -0.365 44.709 45.100 -0.043 0.000 0.646 487 G HN 0.321 nan 8.290 nan 0.000 0.517 488 K N 0.746 121.105 120.400 -0.068 0.000 2.155 488 K HA 0.300 4.622 4.320 0.003 0.000 0.240 488 K C 1.355 177.942 176.600 -0.022 0.000 1.193 488 K CA -0.192 56.064 56.287 -0.051 0.000 1.104 488 K CB 0.724 33.176 32.500 -0.080 0.000 1.558 488 K HN 0.230 nan 8.250 nan 0.000 0.313 489 Q N 1.415 121.219 119.800 0.007 0.000 2.167 489 Q HA -0.159 4.183 4.340 0.003 0.000 0.202 489 Q C 0.713 176.748 176.000 0.057 0.000 0.970 489 Q CA 1.756 57.585 55.803 0.043 0.000 0.855 489 Q CB 0.183 28.950 28.738 0.047 0.000 0.911 489 Q HN 0.436 nan 8.270 nan 0.000 0.438 490 D N -0.387 120.036 120.400 0.039 0.000 2.092 490 D HA -0.141 4.500 4.640 0.003 0.000 0.193 490 D C 1.681 178.016 176.300 0.059 0.000 0.994 490 D CA 1.359 55.386 54.000 0.045 0.000 0.828 490 D CB -0.135 40.682 40.800 0.028 0.000 0.963 490 D HN 0.335 nan 8.370 nan 0.000 0.450 491 I N 0.648 121.245 120.570 0.045 0.000 2.315 491 I HA -0.207 3.965 4.170 0.003 0.000 0.248 491 I C 2.350 178.523 176.117 0.093 0.000 1.117 491 I CA 0.782 62.126 61.300 0.073 0.000 1.404 491 I CB -0.196 37.818 38.000 0.023 0.000 1.071 491 I HN -0.060 nan 8.210 nan 0.000 0.419 492 A N 0.681 123.518 122.820 0.029 0.000 1.902 492 A HA -0.233 4.089 4.320 0.003 0.000 0.217 492 A C 1.935 179.594 177.584 0.124 0.000 1.181 492 A CA 2.003 54.029 52.037 -0.019 0.000 0.623 492 A CB -0.541 18.474 19.000 0.024 0.000 0.818 492 A HN 0.317 nan 8.150 nan 0.000 0.443 493 D N -0.325 120.196 120.400 0.203 0.000 2.117 493 D HA -0.154 4.487 4.640 0.003 0.000 0.197 493 D C 2.193 178.601 176.300 0.179 0.000 0.987 493 D CA 1.474 55.622 54.000 0.245 0.000 0.829 493 D CB -0.465 40.432 40.800 0.163 0.000 0.961 493 D HN 0.631 nan 8.370 nan 0.000 0.460 494 Q N -0.686 119.180 119.800 0.111 0.000 2.077 494 Q HA -0.197 4.145 4.340 0.003 0.000 0.206 494 Q C 2.046 178.008 176.000 -0.063 0.000 0.989 494 Q CA 1.356 57.167 55.803 0.013 0.000 0.853 494 Q CB -0.231 28.496 28.738 -0.017 0.000 0.907 494 Q HN 0.453 nan 8.270 nan 0.000 0.418 495 Y N -1.644 118.630 120.300 -0.043 0.000 2.286 495 Y HA -0.164 4.388 4.550 0.003 0.000 0.293 495 Y C 1.837 177.705 175.900 -0.054 0.000 1.124 495 Y CA 0.775 58.820 58.100 -0.092 0.000 1.178 495 Y CB 0.028 38.362 38.460 -0.210 0.000 1.010 495 Y HN 0.132 nan 8.280 nan 0.000 0.536 496 Y N 0.296 120.684 120.300 0.146 0.000 2.333 496 Y HA -0.259 4.293 4.550 0.003 0.000 0.290 496 Y C 2.332 178.288 175.900 0.094 0.000 1.144 496 Y CA 0.939 59.104 58.100 0.108 0.000 1.228 496 Y CB -0.529 38.069 38.460 0.230 0.000 0.985 496 Y HN 0.145 nan 8.280 nan 0.000 0.542 497 Q N 0.454 120.391 119.800 0.228 0.000 2.181 497 Q HA -0.184 4.158 4.340 0.003 0.000 0.205 497 Q C 1.771 177.822 176.000 0.085 0.000 0.980 497 Q CA 1.507 57.392 55.803 0.136 0.000 0.862 497 Q CB -0.202 28.571 28.738 0.058 0.000 0.905 497 Q HN 0.518 nan 8.270 nan 0.000 0.429 498 K N -0.451 119.991 120.400 0.069 0.000 2.361 498 K HA 0.164 4.485 4.320 0.003 0.000 0.196 498 K C 1.942 178.643 176.600 0.168 0.000 1.039 498 K CA 0.536 56.871 56.287 0.080 0.000 1.001 498 K CB 0.115 32.673 32.500 0.097 0.000 0.795 498 K HN 0.054 nan 8.250 nan 0.000 0.495 499 A N 2.596 125.516 122.820 0.168 0.000 1.978 499 A HA -0.093 4.229 4.320 0.003 0.000 0.220 499 A C -0.733 177.084 177.584 0.388 0.000 1.170 499 A CA 1.167 53.346 52.037 0.238 0.000 0.636 499 A CB -1.108 17.936 19.000 0.074 0.000 0.810 499 A HN 0.167 nan 8.150 nan 0.000 0.448 500 P HA 0.084 nan 4.420 nan 0.000 0.257 500 P C 0.307 177.466 177.300 -0.236 0.000 1.325 500 P CA -0.016 63.066 63.100 -0.030 0.000 0.850 500 P CB -0.041 31.663 31.700 0.005 0.000 1.324 501 N N 0.262 118.987 118.700 0.041 0.000 2.348 501 N HA -0.190 4.552 4.740 0.003 0.000 0.185 501 N C 1.524 177.077 175.510 0.073 0.000 1.019 501 N CA 1.044 54.116 53.050 0.037 0.000 0.880 501 N CB -0.891 37.645 38.487 0.082 0.000 0.965 501 N HN 0.434 nan 8.380 nan 0.000 0.437 502 Y N 0.175 120.593 120.300 0.197 0.000 2.315 502 Y HA -0.040 4.512 4.550 0.003 0.000 0.288 502 Y C 1.976 177.973 175.900 0.162 0.000 1.154 502 Y CA 0.859 59.068 58.100 0.181 0.000 1.229 502 Y CB -0.644 37.902 38.460 0.144 0.000 0.980 502 Y HN -0.084 nan 8.280 nan 0.000 0.540 503 R N 0.626 120.851 120.500 -0.458 0.000 2.120 503 R HA -0.117 4.224 4.340 0.003 0.000 0.234 503 R C 1.469 177.795 176.300 0.044 0.000 1.123 503 R CA 1.178 57.149 56.100 -0.215 0.000 0.975 503 R CB -0.414 29.684 30.300 -0.338 0.000 0.866 503 R HN 0.434 nan 8.270 nan 0.000 0.446 504 N N 0.632 119.346 118.700 0.024 0.000 2.453 504 N HA -0.093 4.649 4.740 0.003 0.000 0.183 504 N C 1.220 176.733 175.510 0.005 0.000 1.041 504 N CA 0.963 54.031 53.050 0.030 0.000 0.900 504 N CB 0.167 38.696 38.487 0.070 0.000 0.961 504 N HN 0.279 nan 8.380 nan 0.000 0.443 505 L N -0.879 120.439 121.223 0.159 0.000 2.808 505 L HA 0.191 4.532 4.340 0.003 0.000 0.246 505 L C -0.203 176.981 176.870 0.522 0.000 1.153 505 L CA -0.342 54.647 54.840 0.249 0.000 0.956 505 L CB 0.068 42.234 42.059 0.177 0.000 1.270 505 L HN 0.019 nan 8.230 nan 0.000 0.528 506 Y N 0.496 121.003 120.300 0.345 0.000 2.393 506 Y HA 0.103 4.655 4.550 0.003 0.000 0.338 506 Y C -0.377 175.696 175.900 0.287 0.000 1.029 506 Y CA -0.415 57.855 58.100 0.285 0.000 1.239 506 Y CB 0.282 38.847 38.460 0.175 0.000 1.170 506 Y HN -0.043 nan 8.280 nan 0.000 0.515 507 Y N 10.492 130.450 120.300 -0.570 0.000 2.535 507 Y HA 0.302 4.854 4.550 0.003 0.000 0.349 507 Y C -1.799 173.608 175.900 -0.821 0.000 0.992 507 Y CA -3.632 53.931 58.100 -0.894 0.000 1.248 507 Y CB 0.737 38.527 38.460 -1.117 0.000 1.124 507 Y HN 0.557 nan 8.280 nan 0.000 0.520 508 P HA -0.157 nan 4.420 nan 0.000 0.216 508 P C 1.535 178.646 177.300 -0.315 0.000 1.150 508 P CA 2.413 65.416 63.100 -0.162 0.000 0.837 508 P CB 0.251 31.984 31.700 0.056 0.000 0.786 509 E N 0.049 119.994 120.200 -0.424 0.000 2.097 509 E HA -0.265 4.087 4.350 0.003 0.000 0.196 509 E C 1.837 177.880 176.600 -0.929 0.000 1.000 509 E CA 1.602 57.593 56.400 -0.681 0.000 0.804 509 E CB -1.813 27.364 29.700 -0.871 0.000 0.740 509 E HN 0.513 nan 8.360 nan 0.000 0.454 510 H N -1.778 116.768 119.070 -0.873 0.000 2.648 510 H HA 0.369 4.927 4.556 0.003 0.000 0.265 510 H C 1.663 176.662 175.328 -0.547 0.000 0.961 510 H CA 0.433 55.986 56.048 -0.825 0.000 1.185 510 H CB 0.999 29.778 29.762 -1.639 0.000 1.449 510 H HN 0.605 nan 8.280 nan 0.000 0.523 511 G N 1.036 109.501 108.800 -0.558 0.000 2.246 511 G HA2 -0.269 3.693 3.960 0.003 0.000 0.273 511 G HA3 -0.269 3.693 3.960 0.003 0.000 0.273 511 G C -0.438 174.031 174.900 -0.719 0.000 1.055 511 G CA 0.251 45.012 45.100 -0.564 0.000 0.851 511 G HN 0.261 nan 8.290 nan 0.000 0.500 512 F N -1.454 118.173 119.950 -0.537 0.000 2.643 512 F HA 0.717 5.246 4.527 0.003 0.000 0.314 512 F C 0.511 176.293 175.800 -0.030 0.000 1.096 512 F CA -1.415 56.505 58.000 -0.134 0.000 0.953 512 F CB 1.119 40.216 39.000 0.162 0.000 1.345 512 F HN -0.066 nan 8.300 nan 0.000 0.468 513 M N 1.712 121.612 119.600 0.501 0.000 2.248 513 M HA 0.038 4.520 4.480 0.003 0.000 0.337 513 M C -0.213 176.611 176.300 0.873 0.000 1.121 513 M CA 0.509 56.167 55.300 0.597 0.000 1.155 513 M CB 0.421 33.388 32.600 0.611 0.000 1.514 513 M HN 0.791 nan 8.290 nan 0.000 0.452 514 W N 0.116 121.685 121.300 0.447 0.000 3.690 514 W HA 0.421 5.082 4.660 0.003 0.000 0.395 514 W C -1.211 175.452 176.519 0.241 0.000 1.113 514 W CA -0.396 57.211 57.345 0.437 0.000 1.158 514 W CB 1.661 31.379 29.460 0.431 0.000 1.555 514 W HN 0.485 nan 8.180 nan 0.000 0.628 515 T N 1.544 115.992 114.554 -0.178 0.000 2.883 515 T HA 0.499 4.851 4.350 0.003 0.000 0.301 515 T C -1.556 173.014 174.700 -0.216 0.000 1.158 515 T CA -0.467 61.438 62.100 -0.325 0.000 1.007 515 T CB 1.991 70.490 68.868 -0.615 0.000 1.186 515 T HN 0.303 nan 8.240 nan 0.000 0.499 516 K N 1.899 122.097 120.400 -0.337 0.000 2.385 516 K HA 0.527 4.849 4.320 0.003 0.000 0.248 516 K C -0.780 175.726 176.600 -0.158 0.000 0.955 516 K CA -0.989 55.077 56.287 -0.368 0.000 0.816 516 K CB 1.508 33.545 32.500 -0.771 0.000 1.250 516 K HN 0.798 nan 8.250 nan 0.000 0.434 517 D N 0.221 120.550 120.400 -0.119 0.000 2.440 517 D HA 0.139 4.780 4.640 0.003 0.000 0.269 517 D C 0.734 176.985 176.300 -0.083 0.000 1.249 517 D CA -0.477 53.459 54.000 -0.107 0.000 1.055 517 D CB 0.321 41.055 40.800 -0.111 0.000 1.104 517 D HN 0.424 nan 8.370 nan 0.000 0.561 518 A N -0.914 121.802 122.820 -0.173 0.000 2.172 518 A HA -0.110 4.212 4.320 0.003 0.000 0.216 518 A C 1.579 179.110 177.584 -0.088 0.000 1.154 518 A CA 0.896 52.810 52.037 -0.204 0.000 0.701 518 A CB -0.585 18.260 19.000 -0.259 0.000 0.789 518 A HN 0.499 nan 8.150 nan 0.000 0.465 519 K N -1.449 118.912 120.400 -0.065 0.000 2.372 519 K HA 0.277 4.599 4.320 0.003 0.000 0.200 519 K C 0.930 177.496 176.600 -0.056 0.000 1.022 519 K CA 0.407 56.664 56.287 -0.049 0.000 1.125 519 K CB 0.223 32.697 32.500 -0.043 0.000 0.855 519 K HN 0.553 nan 8.250 nan 0.000 0.524 520 G N 1.728 110.493 108.800 -0.058 0.000 2.157 520 G HA2 -0.270 3.692 3.960 0.003 0.000 0.248 520 G HA3 -0.270 3.692 3.960 0.003 0.000 0.248 520 G C -0.443 174.275 174.900 -0.303 0.000 0.979 520 G CA -0.217 44.791 45.100 -0.154 0.000 0.650 520 G HN 0.412 nan 8.290 nan 0.000 0.529 521 N N 0.119 118.703 118.700 -0.195 0.000 2.458 521 N HA 0.416 5.158 4.740 0.003 0.000 0.270 521 N C 0.253 175.677 175.510 -0.144 0.000 1.102 521 N CA -0.497 52.469 53.050 -0.139 0.000 0.967 521 N CB 0.402 38.873 38.487 -0.027 0.000 1.078 521 N HN 0.408 nan 8.380 nan 0.000 0.471 522 W N 1.622 122.889 121.300 -0.056 0.000 2.170 522 W HA 0.044 4.706 4.660 0.003 0.000 0.342 522 W C 1.264 177.851 176.519 0.114 0.000 1.294 522 W CA -0.567 56.757 57.345 -0.034 0.000 1.246 522 W CB 0.349 29.739 29.460 -0.117 0.000 1.156 522 W HN 0.369 nan 8.180 nan 0.000 0.572 523 R N 2.846 123.595 120.500 0.415 0.000 2.543 523 R HA 0.010 4.352 4.340 0.003 0.000 0.277 523 R C -0.182 176.493 176.300 0.625 0.000 1.074 523 R CA -0.541 55.764 56.100 0.342 0.000 1.076 523 R CB 0.324 30.634 30.300 0.016 0.000 0.993 523 R HN 0.361 nan 8.270 nan 0.000 0.459 524 D N 3.349 123.992 120.400 0.405 0.000 2.419 524 D HA 0.010 4.652 4.640 0.003 0.000 0.236 524 D C -0.011 176.522 176.300 0.388 0.000 1.165 524 D CA 0.605 54.816 54.000 0.352 0.000 0.882 524 D CB 0.416 41.349 40.800 0.220 0.000 1.201 524 D HN 0.455 nan 8.370 nan 0.000 0.443 525 R N 0.880 121.532 120.500 0.253 0.000 3.084 525 R HA -0.222 4.120 4.340 0.003 0.000 0.258 525 R C -0.445 175.889 176.300 0.057 0.000 0.914 525 R CA -0.002 56.178 56.100 0.133 0.000 0.646 525 R CB -2.521 27.852 30.300 0.121 0.000 1.330 525 R HN 0.486 nan 8.270 nan 0.000 0.465 526 F N 1.736 121.455 119.950 -0.385 0.000 2.629 526 F HA 0.108 4.637 4.527 0.003 0.000 0.377 526 F C 0.518 175.848 175.800 -0.783 0.000 1.101 526 F CA 0.320 57.648 58.000 -1.120 0.000 1.301 526 F CB 0.458 38.424 39.000 -1.723 0.000 1.062 526 F HN 0.279 nan 8.300 nan 0.000 0.583 527 D N 4.815 124.099 120.400 -1.860 0.000 2.478 527 D HA 0.336 4.978 4.640 0.003 0.000 0.240 527 D C 0.362 175.893 176.300 -1.281 0.000 1.364 527 D CA 0.085 53.381 54.000 -1.173 0.000 0.987 527 D CB 1.474 42.023 40.800 -0.418 0.000 1.328 527 D HN 0.674 nan 8.370 nan 0.000 0.584 528 A N 2.448 124.432 122.820 -1.393 0.000 1.986 528 A HA -0.138 4.183 4.320 0.003 0.000 0.220 528 A C 1.718 178.994 177.584 -0.513 0.000 1.171 528 A CA 2.312 53.757 52.037 -0.988 0.000 0.640 528 A CB -0.492 17.920 19.000 -0.979 0.000 0.811 528 A HN 0.613 nan 8.150 nan 0.000 0.451 529 T N -2.586 111.728 114.554 -0.400 0.000 3.086 529 T HA 0.199 4.551 4.350 0.003 0.000 0.250 529 T C 0.441 175.145 174.700 0.006 0.000 1.074 529 T CA 0.244 62.216 62.100 -0.213 0.000 0.988 529 T CB -0.173 68.541 68.868 -0.255 0.000 0.988 529 T HN 0.532 nan 8.240 nan 0.000 0.530 530 E N 0.895 121.082 120.200 -0.022 0.000 2.299 530 E HA 0.183 4.535 4.350 0.003 0.000 0.272 530 E C -0.887 175.866 176.600 0.255 0.000 1.043 530 E CA -0.788 55.697 56.400 0.143 0.000 0.895 530 E CB 0.363 30.140 29.700 0.127 0.000 1.011 530 E HN 0.413 nan 8.360 nan 0.000 0.432 531 W N 3.253 124.593 121.300 0.068 0.000 2.141 531 W HA 0.453 5.115 4.660 0.003 0.000 0.354 531 W C 1.055 177.642 176.519 0.114 0.000 1.297 531 W CA 1.090 58.504 57.345 0.115 0.000 1.380 531 W CB 0.566 30.078 29.460 0.087 0.000 1.168 531 W HN 0.908 nan 8.180 nan 0.000 0.639 532 G N 0.276 109.278 108.800 0.337 0.000 2.645 532 G HA2 0.286 4.248 3.960 0.003 0.000 0.239 532 G HA3 0.286 4.248 3.960 0.003 0.000 0.239 532 G C 0.646 175.548 174.900 0.003 0.000 1.331 532 G CA 0.325 45.530 45.100 0.175 0.000 0.890 532 G HN 1.920 nan 8.290 nan 0.000 0.572 533 G N -0.744 108.000 108.800 -0.095 0.000 2.602 533 G HA2 -0.141 3.821 3.960 0.003 0.000 0.310 533 G HA3 -0.141 3.821 3.960 0.003 0.000 0.310 533 G C -0.250 174.155 174.900 -0.824 0.000 1.183 533 G CA 1.826 46.667 45.100 -0.432 0.000 0.979 533 G HN 1.582 nan 8.290 nan 0.000 0.545 534 P HA 0.238 nan 4.420 nan 0.000 0.245 534 P C 0.168 176.857 177.300 -1.018 0.000 1.212 534 P CA 0.733 63.128 63.100 -1.175 0.000 0.774 534 P CB -0.033 30.867 31.700 -1.335 0.000 0.999 535 F N -0.351 119.325 119.950 -0.456 0.000 2.483 535 F HA 0.440 4.969 4.527 0.003 0.000 0.329 535 F C 0.960 176.550 175.800 -0.349 0.000 1.064 535 F CA -0.596 57.109 58.000 -0.492 0.000 0.986 535 F CB 0.962 39.786 39.000 -0.294 0.000 1.218 535 F HN -0.465 nan 8.300 nan 0.000 0.484 536 T N 1.930 116.402 114.554 -0.136 0.000 2.791 536 T HA 0.252 4.604 4.350 0.003 0.000 0.288 536 T C -0.625 174.279 174.700 0.340 0.000 0.999 536 T CA -0.621 61.513 62.100 0.056 0.000 0.952 536 T CB 0.809 69.676 68.868 -0.001 0.000 0.938 536 T HN 0.521 nan 8.240 nan 0.000 0.444 537 E N 1.098 121.417 120.200 0.197 0.000 2.297 537 E HA -0.182 4.170 4.350 0.003 0.000 0.228 537 E C 0.360 176.806 176.600 -0.258 0.000 1.213 537 E CA 1.275 57.800 56.400 0.208 0.000 0.712 537 E CB -1.474 28.373 29.700 0.246 0.000 1.202 537 E HN 1.123 nan 8.360 nan 0.000 0.376 538 G N -1.431 106.910 108.800 -0.765 0.000 2.315 538 G HA2 0.465 4.427 3.960 0.003 0.000 0.294 538 G HA3 0.465 4.427 3.960 0.003 0.000 0.294 538 G C -0.729 173.657 174.900 -0.857 0.000 1.300 538 G CA 0.014 44.312 45.100 -1.337 0.000 0.843 538 G HN 0.537 nan 8.290 nan 0.000 0.527 539 S N -1.593 113.860 115.700 -0.411 0.000 2.751 539 S HA 0.713 5.185 4.470 0.003 0.000 0.310 539 S C 1.420 175.576 174.600 -0.740 0.000 1.128 539 S CA 0.702 58.582 58.200 -0.534 0.000 0.931 539 S CB 1.404 64.403 63.200 -0.336 0.000 1.177 539 S HN 1.596 nan 8.310 nan 0.000 0.530 540 S N -0.277 114.788 115.700 -1.058 0.000 2.400 540 S HA -0.143 4.329 4.470 0.003 0.000 0.232 540 S C 1.364 175.911 174.600 -0.089 0.000 1.025 540 S CA 1.444 59.297 58.200 -0.579 0.000 0.993 540 S CB -0.779 62.387 63.200 -0.057 0.000 0.808 540 S HN 0.721 nan 8.310 nan 0.000 0.478 541 W N 1.754 122.822 121.300 -0.387 0.000 2.325 541 W HA -0.215 4.447 4.660 0.003 0.000 0.299 541 W C 1.871 178.298 176.519 -0.153 0.000 1.215 541 W CA 1.989 59.185 57.345 -0.249 0.000 1.244 541 W CB -0.434 28.748 29.460 -0.463 0.000 1.140 541 W HN 0.596 nan 8.180 nan 0.000 0.523 542 H N -2.481 116.647 119.070 0.097 0.000 2.344 542 H HA -0.073 4.485 4.556 0.003 0.000 0.307 542 H C 1.949 177.269 175.328 -0.013 0.000 1.057 542 H CA 1.348 57.393 56.048 -0.004 0.000 1.373 542 H CB -1.363 28.259 29.762 -0.232 0.000 1.421 542 H HN 0.186 nan 8.280 nan 0.000 0.532 543 W N 1.914 123.285 121.300 0.118 0.000 2.421 543 W HA -0.105 4.556 4.660 0.003 0.000 0.270 543 W C 2.318 178.928 176.519 0.151 0.000 1.233 543 W CA 1.208 58.662 57.345 0.181 0.000 1.226 543 W CB -0.383 29.238 29.460 0.269 0.000 1.121 543 W HN 0.063 nan 8.180 nan 0.000 0.579 544 T N -1.029 113.638 114.554 0.188 0.000 2.897 544 T HA -0.227 4.125 4.350 0.003 0.000 0.271 544 T C 0.801 175.332 174.700 -0.282 0.000 1.084 544 T CA 1.335 63.409 62.100 -0.044 0.000 1.123 544 T CB -0.454 68.293 68.868 -0.202 0.000 0.865 544 T HN 0.282 nan 8.240 nan 0.000 0.496 545 W N 0.807 122.140 121.300 0.055 0.000 3.139 545 W HA 0.327 4.989 4.660 0.003 0.000 0.260 545 W C 1.615 178.205 176.519 0.119 0.000 1.312 545 W CA -0.510 56.841 57.345 0.010 0.000 1.606 545 W CB 0.122 29.526 29.460 -0.092 0.000 1.118 545 W HN -0.015 nan 8.180 nan 0.000 0.675 546 S N 1.566 117.416 115.700 0.251 0.000 4.085 546 S HA 0.222 4.694 4.470 0.003 0.000 0.189 546 S C -0.035 174.381 174.600 -0.306 0.000 1.392 546 S CA 0.035 58.287 58.200 0.086 0.000 0.972 546 S CB -0.721 62.641 63.200 0.270 0.000 1.482 546 S HN -0.053 nan 8.310 nan 0.000 0.446 547 V N 5.460 125.114 119.914 -0.433 0.000 2.502 547 V HA 0.230 4.351 4.120 0.003 0.000 0.261 547 V C 0.266 175.952 176.094 -0.680 0.000 0.996 547 V CA -0.615 61.266 62.300 -0.699 0.000 1.095 547 V CB -0.429 30.887 31.823 -0.844 0.000 1.325 547 V HN 0.742 nan 8.190 nan 0.000 0.574 548 F N -0.318 119.421 119.950 -0.352 0.000 2.407 548 F HA -0.020 4.509 4.527 0.003 0.000 0.299 548 F C 2.226 177.837 175.800 -0.314 0.000 1.097 548 F CA 0.995 58.734 58.000 -0.434 0.000 1.422 548 F CB -0.745 37.903 39.000 -0.587 0.000 1.067 548 F HN 0.579 nan 8.300 nan 0.000 0.539 549 H N -1.272 117.592 119.070 -0.344 0.000 2.547 549 H HA 0.123 4.681 4.556 0.003 0.000 0.266 549 H C -0.371 174.789 175.328 -0.281 0.000 0.988 549 H CA 0.918 56.666 56.048 -0.500 0.000 1.147 549 H CB -0.208 28.901 29.762 -1.089 0.000 1.365 549 H HN 0.291 nan 8.280 nan 0.000 0.589 550 D N 0.099 120.112 120.400 -0.645 0.000 3.220 550 D HA 0.200 4.842 4.640 0.003 0.000 0.309 550 D C -2.129 173.942 176.300 -0.381 0.000 1.276 550 D CA -1.675 52.058 54.000 -0.445 0.000 0.736 550 D CB 0.861 41.409 40.800 -0.419 0.000 1.304 550 D HN 0.019 nan 8.370 nan 0.000 0.582 551 P HA -0.139 nan 4.420 nan 0.000 0.216 551 P C 1.290 178.492 177.300 -0.163 0.000 1.150 551 P CA 0.996 63.921 63.100 -0.292 0.000 0.837 551 P CB 0.553 31.966 31.700 -0.478 0.000 0.786 552 E N -0.115 120.036 120.200 -0.083 0.000 2.058 552 E HA -0.144 4.208 4.350 0.003 0.000 0.194 552 E C 2.192 178.794 176.600 0.003 0.000 0.997 552 E CA 1.991 58.398 56.400 0.012 0.000 0.801 552 E CB -1.404 28.329 29.700 0.056 0.000 0.746 552 E HN 0.117 nan 8.360 nan 0.000 0.450 553 G N 0.684 109.478 108.800 -0.011 0.000 2.440 553 G HA2 -0.260 3.702 3.960 0.003 0.000 0.218 553 G HA3 -0.260 3.702 3.960 0.003 0.000 0.218 553 G C 1.517 176.431 174.900 0.024 0.000 1.154 553 G CA 0.968 46.109 45.100 0.068 0.000 0.767 553 G HN 0.358 nan 8.290 nan 0.000 0.552 554 L N 1.889 123.047 121.223 -0.108 0.000 2.046 554 L HA -0.064 4.278 4.340 0.003 0.000 0.208 554 L C 3.100 179.862 176.870 -0.180 0.000 1.077 554 L CA 2.569 57.296 54.840 -0.188 0.000 0.747 554 L CB -0.702 41.191 42.059 -0.276 0.000 0.896 554 L HN 0.350 nan 8.230 nan 0.000 0.432 555 S N -1.465 114.178 115.700 -0.095 0.000 2.402 555 S HA -0.206 4.266 4.470 0.003 0.000 0.229 555 S C 1.812 176.387 174.600 -0.041 0.000 1.021 555 S CA 1.164 59.343 58.200 -0.035 0.000 0.974 555 S CB -0.650 62.608 63.200 0.095 0.000 0.800 555 S HN 0.631 nan 8.310 nan 0.000 0.484 556 E N 1.241 121.418 120.200 -0.037 0.000 2.085 556 E HA -0.075 4.277 4.350 0.003 0.000 0.194 556 E C 2.077 178.612 176.600 -0.107 0.000 0.994 556 E CA 1.522 57.893 56.400 -0.047 0.000 0.801 556 E CB -0.423 29.264 29.700 -0.022 0.000 0.743 556 E HN 0.540 nan 8.360 nan 0.000 0.453 557 L N 0.093 121.188 121.223 -0.213 0.000 2.046 557 L HA -0.187 4.154 4.340 0.003 0.000 0.208 557 L C 2.463 179.133 176.870 -0.333 0.000 1.077 557 L CA 1.057 55.640 54.840 -0.428 0.000 0.747 557 L CB -0.290 41.177 42.059 -0.987 0.000 0.896 557 L HN 0.222 nan 8.230 nan 0.000 0.432 558 M N -1.226 118.216 119.600 -0.263 0.000 2.562 558 M HA 0.050 4.532 4.480 0.003 0.000 0.257 558 M C 1.430 177.700 176.300 -0.049 0.000 1.099 558 M CA 1.086 56.316 55.300 -0.118 0.000 1.099 558 M CB 0.142 32.653 32.600 -0.148 0.000 1.427 558 M HN 0.500 nan 8.290 nan 0.000 0.489 559 G N 0.010 108.782 108.800 -0.046 0.000 2.229 559 G HA2 0.010 3.972 3.960 0.003 0.000 0.189 559 G HA3 0.010 3.972 3.960 0.003 0.000 0.189 559 G C 0.320 175.209 174.900 -0.019 0.000 1.000 559 G CA -0.407 44.679 45.100 -0.023 0.000 0.663 559 G HN 0.870 nan 8.290 nan 0.000 0.493 560 G N -1.781 107.014 108.800 -0.008 0.000 2.353 560 G HA2 0.270 4.232 3.960 0.003 0.000 0.424 560 G HA3 0.270 4.232 3.960 0.003 0.000 0.424 560 G C 0.097 175.058 174.900 0.101 0.000 1.320 560 G CA 0.369 45.472 45.100 0.004 0.000 0.995 560 G HN 0.590 nan 8.290 nan 0.000 0.580 561 H N -0.318 118.743 119.070 -0.015 0.000 2.387 561 H HA -0.085 4.473 4.556 0.003 0.000 0.299 561 H C 2.329 177.655 175.328 -0.003 0.000 1.099 561 H CA 1.618 57.652 56.048 -0.023 0.000 1.315 561 H CB 0.477 30.222 29.762 -0.028 0.000 1.380 561 H HN 0.593 nan 8.280 nan 0.000 0.513 562 E N 0.484 120.765 120.200 0.134 0.000 2.028 562 E HA -0.111 4.241 4.350 0.003 0.000 0.191 562 E C -0.572 176.071 176.600 0.071 0.000 0.988 562 E CA 0.852 57.308 56.400 0.093 0.000 0.799 562 E CB -0.304 29.436 29.700 0.067 0.000 0.755 562 E HN 0.391 nan 8.360 nan 0.000 0.447 563 P HA -0.182 nan 4.420 nan 0.000 0.217 563 P C 1.671 178.991 177.300 0.033 0.000 1.150 563 P CA 1.284 64.401 63.100 0.029 0.000 0.832 563 P CB -0.222 31.479 31.700 0.003 0.000 0.787 564 M N -0.714 118.909 119.600 0.039 0.000 2.080 564 M HA -0.154 4.327 4.480 0.003 0.000 0.260 564 M C 2.084 178.429 176.300 0.074 0.000 1.068 564 M CA 1.902 57.234 55.300 0.055 0.000 1.109 564 M CB -0.629 31.994 32.600 0.037 0.000 1.342 564 M HN -0.237 nan 8.290 nan 0.000 0.405 565 I N 0.520 121.129 120.570 0.064 0.000 2.208 565 I HA -0.280 3.892 4.170 0.003 0.000 0.245 565 I C 2.636 178.835 176.117 0.137 0.000 1.097 565 I CA 1.399 62.763 61.300 0.106 0.000 1.363 565 I CB -0.624 37.458 38.000 0.137 0.000 1.051 565 I HN 0.430 nan 8.210 nan 0.000 0.413 566 A N 0.334 123.218 122.820 0.107 0.000 1.933 566 A HA -0.231 4.090 4.320 0.003 0.000 0.218 566 A C 2.397 180.040 177.584 0.099 0.000 1.175 566 A CA 1.654 53.753 52.037 0.104 0.000 0.628 566 A CB -0.567 18.481 19.000 0.080 0.000 0.814 566 A HN 0.299 nan 8.150 nan 0.000 0.444 567 R N -0.689 119.863 120.500 0.086 0.000 2.075 567 R HA 0.017 4.359 4.340 0.003 0.000 0.232 567 R C 2.067 178.402 176.300 0.058 0.000 1.126 567 R CA 1.277 57.431 56.100 0.089 0.000 0.963 567 R CB -0.359 29.985 30.300 0.074 0.000 0.858 567 R HN 0.540 nan 8.270 nan 0.000 0.435 568 L N 0.398 121.616 121.223 -0.009 0.000 2.046 568 L HA -0.223 4.118 4.340 0.003 0.000 0.208 568 L C 1.731 178.550 176.870 -0.085 0.000 1.077 568 L CA 1.310 55.962 54.840 -0.314 0.000 0.747 568 L CB -0.414 41.345 42.059 -0.500 0.000 0.896 568 L HN 0.236 nan 8.230 nan 0.000 0.432 569 D N -0.579 119.913 120.400 0.154 0.000 2.149 569 D HA -0.181 4.460 4.640 0.003 0.000 0.198 569 D C 2.348 178.736 176.300 0.146 0.000 0.990 569 D CA 1.650 55.803 54.000 0.254 0.000 0.839 569 D CB -0.062 40.870 40.800 0.220 0.000 0.948 569 D HN 0.324 nan 8.370 nan 0.000 0.460 570 S N -0.489 115.264 115.700 0.090 0.000 2.447 570 S HA -0.096 4.376 4.470 0.003 0.000 0.233 570 S C 1.952 176.628 174.600 0.127 0.000 1.006 570 S CA 0.531 58.816 58.200 0.143 0.000 0.957 570 S CB -0.261 63.071 63.200 0.220 0.000 0.773 570 S HN 0.200 nan 8.310 nan 0.000 0.507 571 M N 0.053 119.557 119.600 -0.160 0.000 2.319 571 M HA 0.181 4.662 4.480 0.003 0.000 0.265 571 M C -0.410 175.632 176.300 -0.431 0.000 1.068 571 M CA 0.802 55.914 55.300 -0.313 0.000 1.118 571 M CB -0.212 31.860 32.600 -0.880 0.000 1.395 571 M HN 0.273 nan 8.290 nan 0.000 0.435 572 F N 1.133 121.082 119.950 -0.001 0.000 2.359 572 F HA 0.418 4.947 4.527 0.003 0.000 0.355 572 F C 0.564 176.424 175.800 0.099 0.000 1.132 572 F CA -1.295 56.690 58.000 -0.025 0.000 1.246 572 F CB -0.949 37.829 39.000 -0.370 0.000 1.569 572 F HN -0.204 nan 8.300 nan 0.000 0.561 573 V N 2.097 122.147 119.914 0.226 0.000 2.585 573 V HA 0.566 4.687 4.120 0.003 0.000 0.296 573 V C 0.541 176.751 176.094 0.194 0.000 1.035 573 V CA -0.278 62.132 62.300 0.184 0.000 1.084 573 V CB 0.039 31.943 31.823 0.136 0.000 0.953 573 V HN 0.742 nan 8.190 nan 0.000 0.483 574 A N 5.182 128.102 122.820 0.166 0.000 2.264 574 A HA 0.833 5.155 4.320 0.003 0.000 0.304 574 A C -0.782 176.860 177.584 0.096 0.000 1.100 574 A CA -0.617 51.511 52.037 0.152 0.000 0.839 574 A CB 0.133 19.209 19.000 0.127 0.000 1.121 574 A HN 1.499 nan 8.150 nan 0.000 0.496 575 P HA 0.315 nan 4.420 nan 0.000 0.271 575 P C -0.647 176.654 177.300 0.002 0.000 1.220 575 P CA 0.009 63.142 63.100 0.055 0.000 0.768 575 P CB 0.156 31.894 31.700 0.063 0.000 0.848 576 N N 1.603 120.278 118.700 -0.041 0.000 2.469 576 N HA 0.226 4.968 4.740 0.003 0.000 0.253 576 N C 1.162 176.568 175.510 -0.172 0.000 0.970 576 N CA 0.401 53.322 53.050 -0.215 0.000 0.940 576 N CB 1.004 39.254 38.487 -0.395 0.000 1.128 576 N HN 0.350 nan 8.380 nan 0.000 0.503 577 T N 0.302 114.808 114.554 -0.080 0.000 3.044 577 T HA 0.134 4.486 4.350 0.003 0.000 0.250 577 T C 0.600 175.535 174.700 0.391 0.000 1.081 577 T CA 0.157 62.365 62.100 0.180 0.000 1.040 577 T CB -0.241 68.712 68.868 0.143 0.000 0.962 577 T HN 0.510 nan 8.240 nan 0.000 0.506 578 Y N 1.983 122.358 120.300 0.126 0.000 2.887 578 Y HA -0.330 4.222 4.550 0.003 0.000 0.467 578 Y C 1.300 177.195 175.900 -0.009 0.000 1.191 578 Y CA 1.002 59.141 58.100 0.065 0.000 2.539 578 Y CB -1.531 36.989 38.460 0.100 0.000 1.225 578 Y HN 0.168 nan 8.280 nan 0.000 0.630 579 N N -0.254 118.477 118.700 0.052 0.000 2.314 579 N HA 0.076 4.818 4.740 0.003 0.000 0.200 579 N C 0.622 176.035 175.510 -0.162 0.000 1.135 579 N CA 0.457 53.445 53.050 -0.104 0.000 0.835 579 N CB -0.203 38.177 38.487 -0.179 0.000 0.989 579 N HN 0.449 nan 8.380 nan 0.000 0.478 580 Y N 0.363 120.732 120.300 0.115 0.000 2.516 580 Y HA 0.121 4.673 4.550 0.003 0.000 0.291 580 Y C 2.385 178.321 175.900 0.060 0.000 1.131 580 Y CA 0.181 58.329 58.100 0.080 0.000 1.281 580 Y CB -0.467 38.047 38.460 0.091 0.000 1.013 580 Y HN 0.065 nan 8.280 nan 0.000 0.554 581 G N 0.080 108.983 108.800 0.171 0.000 2.562 581 G HA2 -0.428 3.534 3.960 0.003 0.000 0.223 581 G HA3 -0.428 3.534 3.960 0.003 0.000 0.223 581 G C 1.897 176.848 174.900 0.084 0.000 1.102 581 G CA 1.844 47.009 45.100 0.109 0.000 0.742 581 G HN 0.469 nan 8.290 nan 0.000 0.587 582 T N -0.077 114.521 114.554 0.073 0.000 2.649 582 T HA -0.211 4.141 4.350 0.003 0.000 0.268 582 T C 2.316 177.054 174.700 0.063 0.000 1.036 582 T CA 2.925 65.056 62.100 0.052 0.000 1.157 582 T CB -0.981 67.908 68.868 0.036 0.000 0.861 582 T HN 1.012 nan 8.240 nan 0.000 0.445 583 Y N 1.314 121.670 120.300 0.094 0.000 2.716 583 Y HA 0.380 4.932 4.550 0.003 0.000 0.302 583 Y C 2.082 178.018 175.900 0.061 0.000 1.160 583 Y CA 0.565 58.714 58.100 0.081 0.000 1.362 583 Y CB -1.344 37.177 38.460 0.101 0.000 0.988 583 Y HN 1.355 nan 8.280 nan 0.000 0.546 584 G N -3.176 105.659 108.800 0.059 0.000 2.660 584 G HA2 0.192 4.153 3.960 0.003 0.000 0.247 584 G HA3 0.192 4.153 3.960 0.003 0.000 0.247 584 G C 0.578 175.507 174.900 0.047 0.000 1.328 584 G CA 0.112 45.239 45.100 0.045 0.000 0.884 584 G HN 1.709 nan 8.290 nan 0.000 0.531 585 F N -0.228 119.745 119.950 0.037 0.000 2.365 585 F HA 0.393 4.921 4.527 0.003 0.000 0.300 585 F C 3.456 179.277 175.800 0.035 0.000 1.090 585 F CA 3.144 61.165 58.000 0.036 0.000 1.408 585 F CB -1.139 37.878 39.000 0.028 0.000 1.060 585 F HN 1.897 nan 8.300 nan 0.000 0.534 586 V N 1.095 121.029 119.914 0.032 0.000 2.453 586 V HA -0.127 3.995 4.120 0.003 0.000 0.252 586 V C 2.753 178.867 176.094 0.032 0.000 1.068 586 V CA 3.744 66.061 62.300 0.028 0.000 1.070 586 V CB -1.686 30.151 31.823 0.024 0.000 0.664 586 V HN 0.917 nan 8.190 nan 0.000 0.461 587 I N -0.209 120.388 120.570 0.045 0.000 2.315 587 I HA -0.096 4.076 4.170 0.003 0.000 0.248 587 I C 2.607 178.759 176.117 0.060 0.000 1.117 587 I CA 3.214 64.548 61.300 0.058 0.000 1.404 587 I CB -2.186 35.872 38.000 0.098 0.000 1.071 587 I HN 0.883 nan 8.210 nan 0.000 0.419 588 H N -0.147 118.956 119.070 0.056 0.000 2.389 588 H HA 0.108 4.665 4.556 0.003 0.000 0.299 588 H C 2.364 177.719 175.328 0.045 0.000 1.081 588 H CA 2.957 59.037 56.048 0.053 0.000 1.345 588 H CB -0.873 28.918 29.762 0.047 0.000 1.393 588 H HN 0.837 nan 8.280 nan 0.000 0.520 589 E N 0.250 120.472 120.200 0.036 0.000 2.028 589 E HA 0.078 4.430 4.350 0.003 0.000 0.190 589 E C 2.671 179.287 176.600 0.028 0.000 0.984 589 E CA 2.138 58.556 56.400 0.029 0.000 0.800 589 E CB -1.302 28.411 29.700 0.022 0.000 0.758 589 E HN 1.188 nan 8.360 nan 0.000 0.448 590 I N 1.260 121.844 120.570 0.024 0.000 2.264 590 I HA 0.262 4.434 4.170 0.003 0.000 0.248 590 I C 2.990 179.123 176.117 0.026 0.000 1.111 590 I CA 2.446 63.756 61.300 0.018 0.000 1.382 590 I CB -1.589 36.415 38.000 0.006 0.000 1.060 590 I HN 0.598 nan 8.210 nan 0.000 0.418 591 A N -0.160 122.683 122.820 0.039 0.000 1.933 591 A HA -0.254 4.068 4.320 0.003 0.000 0.218 591 A C 2.156 179.773 177.584 0.055 0.000 1.175 591 A CA 1.730 53.799 52.037 0.054 0.000 0.628 591 A CB -0.788 18.253 19.000 0.069 0.000 0.814 591 A HN 0.764 nan 8.150 nan 0.000 0.444 592 E N -0.640 119.592 120.200 0.053 0.000 2.072 592 E HA -0.160 4.192 4.350 0.003 0.000 0.191 592 E C 2.094 178.725 176.600 0.052 0.000 0.985 592 E CA 1.166 57.601 56.400 0.059 0.000 0.801 592 E CB -0.307 29.426 29.700 0.056 0.000 0.750 592 E HN 0.637 nan 8.360 nan 0.000 0.452 593 M N 0.601 120.223 119.600 0.038 0.000 2.073 593 M HA -0.217 4.265 4.480 0.003 0.000 0.258 593 M C 2.489 178.809 176.300 0.034 0.000 1.070 593 M CA 1.493 56.811 55.300 0.030 0.000 1.103 593 M CB -0.433 32.178 32.600 0.019 0.000 1.321 593 M HN 0.048 nan 8.290 nan 0.000 0.405 594 V N 0.241 120.176 119.914 0.035 0.000 2.295 594 V HA -0.257 3.865 4.120 0.003 0.000 0.246 594 V C 2.620 178.742 176.094 0.048 0.000 1.049 594 V CA 1.992 64.313 62.300 0.035 0.000 1.024 594 V CB -1.442 30.403 31.823 0.037 0.000 0.648 594 V HN 0.553 nan 8.190 nan 0.000 0.447 595 A N -0.330 122.527 122.820 0.062 0.000 1.940 595 A HA -0.175 4.147 4.320 0.003 0.000 0.219 595 A C 2.256 179.893 177.584 0.088 0.000 1.176 595 A CA 1.898 53.982 52.037 0.079 0.000 0.631 595 A CB -0.523 18.533 19.000 0.093 0.000 0.814 595 A HN 0.512 nan 8.150 nan 0.000 0.446 596 L N -0.719 120.553 121.223 0.082 0.000 2.044 596 L HA -0.133 4.208 4.340 0.003 0.000 0.205 596 L C 2.021 178.927 176.870 0.059 0.000 1.075 596 L CA 1.039 55.929 54.840 0.083 0.000 0.747 596 L CB -0.577 41.522 42.059 0.067 0.000 0.903 596 L HN 0.332 nan 8.230 nan 0.000 0.435 597 N N -0.076 118.648 118.700 0.040 0.000 2.588 597 N HA -0.179 4.562 4.740 0.003 0.000 0.190 597 N C 1.446 176.966 175.510 0.016 0.000 1.094 597 N CA 1.783 54.846 53.050 0.022 0.000 0.921 597 N CB 0.215 38.710 38.487 0.014 0.000 0.959 597 N HN 0.382 nan 8.380 nan 0.000 0.448 598 M N -1.683 117.933 119.600 0.027 0.000 2.379 598 M HA 0.380 4.862 4.480 0.003 0.000 0.265 598 M C 1.246 177.560 176.300 0.023 0.000 1.095 598 M CA 0.802 56.110 55.300 0.013 0.000 1.075 598 M CB -0.861 31.744 32.600 0.009 0.000 1.443 598 M HN 0.055 nan 8.290 nan 0.000 0.519 599 G N 0.842 109.676 108.800 0.057 0.000 2.367 599 G HA2 0.037 3.998 3.960 0.003 0.000 0.295 599 G HA3 0.037 3.998 3.960 0.003 0.000 0.295 599 G C 0.568 175.538 174.900 0.117 0.000 1.019 599 G CA 1.127 46.281 45.100 0.089 0.000 1.224 599 G HN 1.836 nan 8.290 nan 0.000 0.510 600 Q N -0.456 119.429 119.800 0.141 0.000 2.084 600 Q HA 0.082 4.424 4.340 0.003 0.000 0.202 600 Q C 1.431 177.692 176.000 0.435 0.000 0.978 600 Q CA 1.785 57.718 55.803 0.218 0.000 0.844 600 Q CB -0.070 28.806 28.738 0.231 0.000 0.898 600 Q HN 1.854 nan 8.270 nan 0.000 0.426 601 Y N -0.220 120.169 120.300 0.148 0.000 2.331 601 Y HA 0.590 5.142 4.550 0.003 0.000 0.338 601 Y C -0.206 175.794 175.900 0.167 0.000 0.976 601 Y CA -1.602 56.554 58.100 0.092 0.000 1.137 601 Y CB 1.377 39.776 38.460 -0.101 0.000 1.172 601 Y HN 0.190 nan 8.280 nan 0.000 0.478 602 A N 5.829 128.472 122.820 -0.295 0.000 2.621 602 A HA 0.208 4.530 4.320 0.003 0.000 0.329 602 A C -0.908 176.272 177.584 -0.674 0.000 1.458 602 A CA -0.547 51.318 52.037 -0.286 0.000 1.052 602 A CB -1.044 17.941 19.000 -0.025 0.000 1.142 602 A HN 0.934 nan 8.150 nan 0.000 0.523 603 H N 1.564 120.138 119.070 -0.827 0.000 3.125 603 H HA 0.306 4.863 4.556 0.003 0.000 0.310 603 H C 1.455 176.530 175.328 -0.420 0.000 0.980 603 H CA 1.789 57.422 56.048 -0.692 0.000 1.422 603 H CB 0.346 29.940 29.762 -0.279 0.000 1.432 603 H HN 1.176 nan 8.280 nan 0.000 0.577 604 G N 3.478 111.749 108.800 -0.882 0.000 2.218 604 G HA2 -0.297 3.665 3.960 0.003 0.000 0.216 604 G HA3 -0.297 3.665 3.960 0.003 0.000 0.216 604 G C 0.407 175.087 174.900 -0.366 0.000 0.994 604 G CA -0.007 44.736 45.100 -0.595 0.000 0.637 604 G HN 0.863 nan 8.290 nan 0.000 0.505 605 N N 0.725 119.207 118.700 -0.363 0.000 2.452 605 N HA 0.433 5.175 4.740 0.003 0.000 0.266 605 N C 1.537 176.867 175.510 -0.300 0.000 1.175 605 N CA 0.214 53.087 53.050 -0.295 0.000 0.945 605 N CB 0.559 38.814 38.487 -0.387 0.000 1.063 605 N HN 0.308 nan 8.380 nan 0.000 0.472 606 Q N 3.880 123.514 119.800 -0.278 0.000 2.045 606 Q HA -0.131 4.211 4.340 0.003 0.000 0.206 606 Q C -0.861 174.933 176.000 -0.344 0.000 0.991 606 Q CA 1.986 57.553 55.803 -0.393 0.000 0.851 606 Q CB -0.636 27.660 28.738 -0.738 0.000 0.911 606 Q HN 0.697 nan 8.270 nan 0.000 0.418 607 P HA -0.089 nan 4.420 nan 0.000 0.228 607 P C 0.435 177.726 177.300 -0.015 0.000 1.151 607 P CA 1.198 64.071 63.100 -0.378 0.000 0.770 607 P CB 0.041 31.072 31.700 -1.115 0.000 0.786 608 V N -4.970 114.906 119.914 -0.064 0.000 3.319 608 V HA 0.231 4.353 4.120 0.003 0.000 0.317 608 V C 1.959 178.071 176.094 0.030 0.000 1.411 608 V CA -0.006 62.288 62.300 -0.010 0.000 1.112 608 V CB -0.754 31.091 31.823 0.037 0.000 1.031 608 V HN -0.094 nan 8.190 nan 0.000 0.448 609 Q N 1.308 121.133 119.800 0.041 0.000 2.170 609 Q HA -0.162 4.180 4.340 0.003 0.000 0.203 609 Q C 2.128 178.271 176.000 0.238 0.000 0.976 609 Q CA 2.016 57.863 55.803 0.073 0.000 0.858 609 Q CB -0.245 28.510 28.738 0.029 0.000 0.907 609 Q HN 1.016 nan 8.270 nan 0.000 0.433 610 H N -1.620 117.522 119.070 0.120 0.000 2.551 610 H HA 0.280 4.838 4.556 0.003 0.000 0.266 610 H C 1.668 177.078 175.328 0.136 0.000 0.964 610 H CA 0.761 56.887 56.048 0.130 0.000 1.180 610 H CB -0.022 29.808 29.762 0.113 0.000 1.408 610 H HN 0.164 nan 8.280 nan 0.000 0.563 611 A N 2.142 124.585 122.820 -0.629 0.000 1.940 611 A HA -0.076 4.246 4.320 0.003 0.000 0.219 611 A C 2.555 179.890 177.584 -0.415 0.000 1.176 611 A CA 1.304 52.912 52.037 -0.715 0.000 0.631 611 A CB -0.850 17.693 19.000 -0.761 0.000 0.814 611 A HN 0.400 nan 8.150 nan 0.000 0.446 612 I N -1.948 118.482 120.570 -0.233 0.000 2.361 612 I HA -0.267 3.905 4.170 0.003 0.000 0.251 612 I C 1.836 177.830 176.117 -0.205 0.000 1.133 612 I CA 1.226 62.363 61.300 -0.272 0.000 1.413 612 I CB -0.335 37.449 38.000 -0.359 0.000 1.073 612 I HN 0.410 nan 8.210 nan 0.000 0.424 613 Y N 0.297 120.563 120.300 -0.057 0.000 2.583 613 Y HA -0.023 4.529 4.550 0.003 0.000 0.293 613 Y C 2.141 178.121 175.900 0.133 0.000 1.157 613 Y CA 0.438 58.584 58.100 0.076 0.000 1.315 613 Y CB -0.267 38.278 38.460 0.143 0.000 1.021 613 Y HN 0.130 nan 8.280 nan 0.000 0.536 614 L N -1.643 119.589 121.223 0.015 0.000 2.201 614 L HA -0.217 4.125 4.340 0.003 0.000 0.212 614 L C 1.615 178.444 176.870 -0.067 0.000 1.105 614 L CA 0.930 55.722 54.840 -0.081 0.000 0.775 614 L CB -0.543 41.323 42.059 -0.322 0.000 0.913 614 L HN 0.267 nan 8.230 nan 0.000 0.440 615 Y N 0.043 120.310 120.300 -0.056 0.000 2.256 615 Y HA -0.286 4.266 4.550 0.003 0.000 0.288 615 Y C 2.296 178.111 175.900 -0.142 0.000 1.155 615 Y CA 1.115 59.123 58.100 -0.154 0.000 1.203 615 Y CB -0.602 37.726 38.460 -0.220 0.000 0.980 615 Y HN 0.219 nan 8.280 nan 0.000 0.530 616 D N -1.250 119.246 120.400 0.160 0.000 2.265 616 D HA -0.197 4.444 4.640 0.003 0.000 0.208 616 D C 1.334 177.564 176.300 -0.115 0.000 0.977 616 D CA 1.418 55.465 54.000 0.078 0.000 0.871 616 D CB -0.332 40.556 40.800 0.146 0.000 0.925 616 D HN 0.479 nan 8.370 nan 0.000 0.485 617 Y N -0.347 119.812 120.300 -0.234 0.000 2.478 617 Y HA 0.193 4.745 4.550 0.003 0.000 0.261 617 Y C 1.784 177.065 175.900 -1.031 0.000 1.127 617 Y CA -0.022 57.828 58.100 -0.418 0.000 1.288 617 Y CB 0.421 38.742 38.460 -0.231 0.000 1.084 617 Y HN -0.017 nan 8.280 nan 0.000 0.530 618 I N -4.480 115.600 120.570 -0.817 0.000 3.813 618 I HA 0.619 4.790 4.170 0.003 0.000 0.323 618 I C 1.004 176.751 176.117 -0.617 0.000 1.536 618 I CA 0.235 60.905 61.300 -1.051 0.000 1.083 618 I CB 0.652 38.204 38.000 -0.747 0.000 1.265 618 I HN 0.080 nan 8.210 nan 0.000 0.507 619 G N 1.810 110.257 108.800 -0.588 0.000 2.157 619 G HA2 -0.232 3.729 3.960 0.003 0.000 0.239 619 G HA3 -0.232 3.729 3.960 0.003 0.000 0.239 619 G C 0.052 174.828 174.900 -0.206 0.000 0.982 619 G CA -0.004 45.046 45.100 -0.083 0.000 0.650 619 G HN 0.593 nan 8.290 nan 0.000 0.527 620 Q N -0.150 119.385 119.800 -0.442 0.000 3.075 620 Q HA 0.222 4.564 4.340 0.003 0.000 0.318 620 Q C -1.786 173.660 176.000 -0.923 0.000 0.907 620 Q CA -1.525 53.571 55.803 -1.178 0.000 0.882 620 Q CB 2.006 30.078 28.738 -1.110 0.000 1.386 620 Q HN 0.315 nan 8.270 nan 0.000 0.408 621 P HA -0.185 nan 4.420 nan 0.000 0.220 621 P C 0.901 178.163 177.300 -0.064 0.000 1.148 621 P CA 1.056 64.090 63.100 -0.110 0.000 0.803 621 P CB -0.125 31.628 31.700 0.088 0.000 0.782 622 W N 1.599 122.921 121.300 0.037 0.000 2.364 622 W HA -0.038 4.624 4.660 0.003 0.000 0.281 622 W C 1.754 178.299 176.519 0.043 0.000 1.219 622 W CA 0.950 58.349 57.345 0.090 0.000 1.220 622 W CB -1.569 27.875 29.460 -0.027 0.000 1.127 622 W HN -0.125 nan 8.180 nan 0.000 0.556 623 K N 0.270 120.356 120.400 -0.523 0.000 2.062 623 K HA -0.072 4.250 4.320 0.003 0.000 0.205 623 K C 2.080 178.447 176.600 -0.388 0.000 1.051 623 K CA 1.920 57.843 56.287 -0.606 0.000 0.941 623 K CB -0.664 31.000 32.500 -1.392 0.000 0.719 623 K HN 0.090 nan 8.250 nan 0.000 0.440 624 T N 1.782 116.181 114.554 -0.257 0.000 2.684 624 T HA -0.206 4.146 4.350 0.003 0.000 0.267 624 T C 1.879 176.480 174.700 -0.165 0.000 1.036 624 T CA 1.511 63.547 62.100 -0.107 0.000 1.148 624 T CB -0.164 68.677 68.868 -0.044 0.000 0.863 624 T HN 0.289 nan 8.240 nan 0.000 0.436 625 Q N -0.626 119.131 119.800 -0.071 0.000 2.050 625 Q HA -0.121 4.221 4.340 0.003 0.000 0.202 625 Q C 2.062 177.939 176.000 -0.205 0.000 0.980 625 Q CA 1.724 57.477 55.803 -0.083 0.000 0.840 625 Q CB -0.328 28.448 28.738 0.063 0.000 0.898 625 Q HN 0.645 nan 8.270 nan 0.000 0.424 626 Y N 0.593 120.714 120.300 -0.298 0.000 2.089 626 Y HA -0.295 4.257 4.550 0.003 0.000 0.282 626 Y C 2.264 177.907 175.900 -0.428 0.000 1.139 626 Y CA 1.895 59.740 58.100 -0.425 0.000 1.123 626 Y CB -0.217 38.035 38.460 -0.345 0.000 0.980 626 Y HN 0.216 nan 8.280 nan 0.000 0.493 627 H N -0.480 118.407 119.070 -0.304 0.000 2.387 627 H HA -0.162 4.396 4.556 0.003 0.000 0.299 627 H C 2.494 177.558 175.328 -0.441 0.000 1.090 627 H CA 1.486 57.243 56.048 -0.485 0.000 1.332 627 H CB -0.377 28.969 29.762 -0.693 0.000 1.386 627 H HN 0.344 nan 8.280 nan 0.000 0.516 628 L N 0.856 121.917 121.223 -0.270 0.000 1.994 628 L HA -0.171 4.171 4.340 0.003 0.000 0.208 628 L C 2.426 179.177 176.870 -0.199 0.000 1.071 628 L CA 1.461 56.172 54.840 -0.214 0.000 0.745 628 L CB -0.304 41.559 42.059 -0.327 0.000 0.892 628 L HN 0.199 nan 8.230 nan 0.000 0.431 629 R N -0.380 119.940 120.500 -0.300 0.000 2.115 629 R HA -0.142 4.199 4.340 0.003 0.000 0.230 629 R C 1.860 177.988 176.300 -0.287 0.000 1.111 629 R CA 0.929 56.850 56.100 -0.297 0.000 0.976 629 R CB -0.979 29.116 30.300 -0.342 0.000 0.870 629 R HN 0.412 nan 8.270 nan 0.000 0.445 630 N N 0.635 119.092 118.700 -0.403 0.000 2.043 630 N HA -0.128 4.614 4.740 0.003 0.000 0.193 630 N C 1.771 177.199 175.510 -0.136 0.000 1.037 630 N CA 1.262 54.116 53.050 -0.327 0.000 0.851 630 N CB -0.189 38.030 38.487 -0.447 0.000 1.027 630 N HN -0.081 nan 8.380 nan 0.000 0.422 631 V N 1.135 120.993 119.914 -0.093 0.000 2.295 631 V HA -0.258 3.864 4.120 0.003 0.000 0.246 631 V C 2.376 178.559 176.094 0.149 0.000 1.049 631 V CA 1.401 63.692 62.300 -0.014 0.000 1.024 631 V CB -0.490 31.293 31.823 -0.067 0.000 0.648 631 V HN 0.357 nan 8.190 nan 0.000 0.447 632 M N -0.295 119.403 119.600 0.162 0.000 2.080 632 M HA -0.201 4.281 4.480 0.003 0.000 0.260 632 M C 1.950 178.375 176.300 0.208 0.000 1.068 632 M CA 1.836 57.260 55.300 0.207 0.000 1.109 632 M CB -1.334 31.216 32.600 -0.084 0.000 1.342 632 M HN 0.348 nan 8.290 nan 0.000 0.405 633 D N 0.254 120.685 120.400 0.051 0.000 2.183 633 D HA -0.063 4.579 4.640 0.003 0.000 0.203 633 D C 1.926 178.259 176.300 0.055 0.000 0.969 633 D CA 1.136 55.151 54.000 0.024 0.000 0.842 633 D CB 0.010 40.777 40.800 -0.054 0.000 0.957 633 D HN 0.386 nan 8.370 nan 0.000 0.484 634 K N -0.638 119.796 120.400 0.056 0.000 2.348 634 K HA 0.269 4.591 4.320 0.003 0.000 0.194 634 K C 1.383 177.996 176.600 0.021 0.000 1.052 634 K CA 0.104 56.408 56.287 0.028 0.000 1.004 634 K CB 0.865 33.368 32.500 0.005 0.000 0.873 634 K HN 0.024 nan 8.250 nan 0.000 0.523 635 L N 0.302 121.543 121.223 0.031 0.000 2.808 635 L HA 0.284 4.625 4.340 0.003 0.000 0.246 635 L C -0.658 176.032 176.870 -0.300 0.000 1.153 635 L CA -0.219 54.546 54.840 -0.125 0.000 0.956 635 L CB 0.335 42.267 42.059 -0.213 0.000 1.270 635 L HN 0.032 nan 8.230 nan 0.000 0.528 636 Y N 0.459 120.761 120.300 0.003 0.000 2.477 636 Y HA 0.434 4.986 4.550 0.003 0.000 0.347 636 Y C -0.165 175.671 175.900 -0.106 0.000 0.981 636 Y CA -1.159 56.890 58.100 -0.086 0.000 1.033 636 Y CB 1.860 40.274 38.460 -0.076 0.000 1.245 636 Y HN 0.081 nan 8.280 nan 0.000 0.455 637 N N -2.203 116.485 118.700 -0.020 0.000 2.934 637 N HA 0.318 5.060 4.740 0.003 0.000 0.253 637 N C -0.511 174.931 175.510 -0.112 0.000 1.466 637 N CA -0.584 52.441 53.050 -0.042 0.000 0.858 637 N CB 1.004 39.472 38.487 -0.032 0.000 1.459 637 N HN 0.296 nan 8.380 nan 0.000 0.532 638 S N -2.256 113.400 115.700 -0.074 0.000 2.575 638 S HA 0.326 4.797 4.470 0.003 0.000 0.215 638 S C 0.940 175.492 174.600 -0.081 0.000 0.966 638 S CA -0.144 58.010 58.200 -0.077 0.000 0.911 638 S CB -0.850 62.344 63.200 -0.011 0.000 0.780 638 S HN 0.813 nan 8.310 nan 0.000 0.514 639 G N 1.634 110.379 108.800 -0.092 0.000 2.588 639 G HA2 0.372 4.334 3.960 0.003 0.000 0.278 639 G HA3 0.372 4.334 3.960 0.003 0.000 0.278 639 G C 0.957 175.763 174.900 -0.156 0.000 1.307 639 G CA -0.032 44.997 45.100 -0.118 0.000 1.016 639 G HN 0.425 nan 8.290 nan 0.000 0.503 640 S N -1.040 114.502 115.700 -0.263 0.000 2.419 640 S HA -0.062 4.409 4.470 0.003 0.000 0.233 640 S C 1.337 175.840 174.600 -0.163 0.000 1.016 640 S CA 1.042 59.047 58.200 -0.324 0.000 0.974 640 S CB -0.060 62.628 63.200 -0.853 0.000 0.786 640 S HN 0.519 nan 8.310 nan 0.000 0.492 641 K N 1.370 121.690 120.400 -0.134 0.000 2.684 641 K HA 0.277 4.599 4.320 0.003 0.000 0.215 641 K C 1.567 178.137 176.600 -0.049 0.000 1.073 641 K CA 0.213 56.465 56.287 -0.058 0.000 1.197 641 K CB 0.097 32.561 32.500 -0.059 0.000 0.955 641 K HN 0.437 nan 8.250 nan 0.000 0.473 642 G N 0.577 109.329 108.800 -0.079 0.000 2.450 642 G HA2 -0.224 3.738 3.960 0.003 0.000 0.220 642 G HA3 -0.224 3.738 3.960 0.003 0.000 0.220 642 G C 0.265 174.987 174.900 -0.296 0.000 1.130 642 G CA 0.560 45.541 45.100 -0.198 0.000 0.760 642 G HN 0.312 nan 8.290 nan 0.000 0.557 643 Y N 0.600 120.853 120.300 -0.078 0.000 2.650 643 Y HA 0.312 4.864 4.550 0.003 0.000 0.343 643 Y C 1.210 177.014 175.900 -0.159 0.000 1.078 643 Y CA -1.173 56.823 58.100 -0.173 0.000 1.356 643 Y CB 0.288 38.688 38.460 -0.101 0.000 1.204 643 Y HN 0.059 nan 8.280 nan 0.000 0.508 644 C N 0.249 119.488 119.300 -0.101 0.000 2.539 644 C HA 0.173 4.634 4.460 0.003 0.000 0.268 644 C C 1.775 176.734 174.990 -0.051 0.000 1.395 644 C CA -0.436 58.545 59.018 -0.062 0.000 1.757 644 C CB -1.143 26.557 27.740 -0.066 0.000 1.851 644 C HN 1.030 nan 8.230 nan 0.000 0.545 645 G N 1.344 110.102 108.800 -0.070 0.000 2.340 645 G HA2 0.173 4.135 3.960 0.003 0.000 0.245 645 G HA3 0.173 4.135 3.960 0.003 0.000 0.245 645 G C 0.398 175.280 174.900 -0.030 0.000 1.294 645 G CA -0.021 45.056 45.100 -0.038 0.000 0.896 645 G HN 0.397 nan 8.290 nan 0.000 0.522 646 D N 1.833 122.219 120.400 -0.023 0.000 2.149 646 D HA -0.114 4.528 4.640 0.003 0.000 0.198 646 D C 1.607 177.890 176.300 -0.027 0.000 0.990 646 D CA 1.241 55.228 54.000 -0.023 0.000 0.839 646 D CB 0.353 41.142 40.800 -0.019 0.000 0.948 646 D HN 0.675 nan 8.370 nan 0.000 0.460 647 E N 0.300 120.476 120.200 -0.040 0.000 2.419 647 E HA 0.013 4.364 4.350 0.003 0.000 0.190 647 E C -0.323 176.228 176.600 -0.081 0.000 1.040 647 E CA -0.138 56.234 56.400 -0.046 0.000 0.900 647 E CB 0.414 30.084 29.700 -0.049 0.000 1.054 647 E HN 0.046 nan 8.360 nan 0.000 0.462 648 D N 0.543 120.898 120.400 -0.075 0.000 2.414 648 D HA 0.148 4.790 4.640 0.003 0.000 0.232 648 D C -0.307 175.946 176.300 -0.079 0.000 1.070 648 D CA -0.373 53.570 54.000 -0.096 0.000 0.839 648 D CB 0.505 41.265 40.800 -0.067 0.000 1.079 648 D HN -0.081 nan 8.370 nan 0.000 0.521 649 N N 1.799 120.420 118.700 -0.132 0.000 2.273 649 N HA 0.320 5.062 4.740 0.003 0.000 0.231 649 N C 0.919 176.202 175.510 -0.379 0.000 1.134 649 N CA -0.064 52.901 53.050 -0.142 0.000 0.856 649 N CB 1.195 39.663 38.487 -0.031 0.000 1.068 649 N HN 0.542 nan 8.380 nan 0.000 0.510 650 G N 1.475 109.803 108.800 -0.787 0.000 2.201 650 G HA2 -0.292 3.670 3.960 0.003 0.000 0.212 650 G HA3 -0.292 3.670 3.960 0.003 0.000 0.212 650 G C 0.993 175.584 174.900 -0.514 0.000 0.994 650 G CA 0.108 44.396 45.100 -1.353 0.000 0.644 650 G HN 0.422 nan 8.290 nan 0.000 0.508 651 Q N 1.443 121.089 119.800 -0.257 0.000 2.541 651 Q HA -0.007 4.335 4.340 0.003 0.000 0.215 651 Q C 1.563 177.557 176.000 -0.010 0.000 0.977 651 Q CA 1.954 57.705 55.803 -0.088 0.000 0.934 651 Q CB -0.728 27.979 28.738 -0.051 0.000 0.988 651 Q HN 0.891 nan 8.270 nan 0.000 0.521 652 T N -3.408 111.168 114.554 0.038 0.000 3.122 652 T HA 0.235 4.587 4.350 0.003 0.000 0.250 652 T C 1.497 176.507 174.700 0.516 0.000 1.067 652 T CA 0.232 62.482 62.100 0.251 0.000 0.966 652 T CB 0.297 69.309 68.868 0.240 0.000 1.002 652 T HN 0.110 nan 8.240 nan 0.000 0.542 653 S N 2.188 118.130 115.700 0.403 0.000 2.359 653 S HA -0.107 4.365 4.470 0.003 0.000 0.223 653 S C 2.520 177.335 174.600 0.359 0.000 1.039 653 S CA 1.472 59.924 58.200 0.420 0.000 1.042 653 S CB -0.763 62.607 63.200 0.284 0.000 0.915 653 S HN 0.808 nan 8.310 nan 0.000 0.439 654 A N -0.176 122.821 122.820 0.295 0.000 1.969 654 A HA -0.090 4.232 4.320 0.003 0.000 0.218 654 A C 1.800 179.661 177.584 0.462 0.000 1.169 654 A CA 1.190 53.383 52.037 0.260 0.000 0.635 654 A CB -0.968 18.136 19.000 0.172 0.000 0.810 654 A HN 0.749 nan 8.150 nan 0.000 0.445 655 W N -0.788 120.741 121.300 0.381 0.000 2.358 655 W HA -0.261 4.400 4.660 0.003 0.000 0.303 655 W C 1.966 178.737 176.519 0.420 0.000 1.208 655 W CA 1.964 59.614 57.345 0.509 0.000 1.274 655 W CB -0.311 29.390 29.460 0.400 0.000 1.138 655 W HN 0.460 nan 8.180 nan 0.000 0.515 656 Y N 0.181 120.844 120.300 0.605 0.000 2.200 656 Y HA -0.227 4.325 4.550 0.003 0.000 0.290 656 Y C 2.301 178.247 175.900 0.078 0.000 1.137 656 Y CA 2.546 60.796 58.100 0.251 0.000 1.163 656 Y CB -0.745 37.711 38.460 -0.006 0.000 0.988 656 Y HN -0.175 nan 8.280 nan 0.000 0.518 657 V N -0.228 119.830 119.914 0.239 0.000 2.255 657 V HA -0.323 3.799 4.120 0.003 0.000 0.247 657 V C 2.112 178.204 176.094 -0.003 0.000 1.051 657 V CA 2.142 64.468 62.300 0.044 0.000 1.018 657 V CB -0.948 30.755 31.823 -0.200 0.000 0.641 657 V HN 0.332 nan 8.190 nan 0.000 0.445 658 F N 0.873 120.784 119.950 -0.064 0.000 2.075 658 F HA -0.170 4.359 4.527 0.003 0.000 0.297 658 F C 2.763 178.356 175.800 -0.343 0.000 1.113 658 F CA 1.964 59.823 58.000 -0.236 0.000 1.218 658 F CB -0.849 38.080 39.000 -0.119 0.000 0.984 658 F HN 0.027 nan 8.300 nan 0.000 0.472 659 S N -0.234 115.361 115.700 -0.174 0.000 2.368 659 S HA -0.196 4.275 4.470 0.003 0.000 0.225 659 S C 2.309 176.703 174.600 -0.342 0.000 1.030 659 S CA 1.041 59.017 58.200 -0.372 0.000 0.999 659 S CB -0.740 61.903 63.200 -0.928 0.000 0.844 659 S HN 0.378 nan 8.310 nan 0.000 0.459 660 A N 1.210 123.807 122.820 -0.372 0.000 1.972 660 A HA 0.003 4.325 4.320 0.003 0.000 0.219 660 A C 2.080 179.550 177.584 -0.191 0.000 1.169 660 A CA 1.239 53.078 52.037 -0.331 0.000 0.635 660 A CB -0.534 18.329 19.000 -0.228 0.000 0.810 660 A HN 0.483 nan 8.150 nan 0.000 0.446 661 M N -1.952 117.535 119.600 -0.188 0.000 2.394 661 M HA 0.068 4.549 4.480 0.003 0.000 0.264 661 M C 1.513 177.689 176.300 -0.207 0.000 1.073 661 M CA 1.206 56.364 55.300 -0.235 0.000 1.111 661 M CB 0.091 32.431 32.600 -0.434 0.000 1.401 661 M HN 0.668 nan 8.290 nan 0.000 0.448 662 G N 0.726 109.398 108.800 -0.213 0.000 2.192 662 G HA2 -0.185 3.777 3.960 0.003 0.000 0.193 662 G HA3 -0.185 3.777 3.960 0.003 0.000 0.193 662 G C -0.188 174.845 174.900 0.222 0.000 0.999 662 G CA -0.183 44.933 45.100 0.027 0.000 0.659 662 G HN 0.497 nan 8.290 nan 0.000 0.503 663 F N -1.979 118.080 119.950 0.182 0.000 2.713 663 F HA 0.841 5.369 4.527 0.003 0.000 0.311 663 F C -1.125 174.745 175.800 0.117 0.000 1.141 663 F CA -2.565 55.545 58.000 0.183 0.000 0.939 663 F CB 1.133 40.218 39.000 0.143 0.000 1.325 663 F HN 0.263 nan 8.300 nan 0.000 0.453 664 Y N 1.541 121.800 120.300 -0.068 0.000 2.482 664 Y HA 0.558 5.110 4.550 0.003 0.000 0.334 664 Y C -2.930 172.719 175.900 -0.418 0.000 1.091 664 Y CA -2.335 55.423 58.100 -0.571 0.000 1.027 664 Y CB 3.196 40.913 38.460 -1.238 0.000 1.306 664 Y HN 0.467 nan 8.280 nan 0.000 0.446 665 P HA 0.088 nan 4.420 nan 0.000 0.238 665 P C 0.438 177.394 177.300 -0.573 0.000 1.794 665 P CA 0.259 62.913 63.100 -0.743 0.000 1.088 665 P CB 0.761 31.963 31.700 -0.831 0.000 1.923 666 V N 1.318 121.123 119.914 -0.181 0.000 2.392 666 V HA -0.187 3.935 4.120 0.003 0.000 0.249 666 V C 1.414 177.416 176.094 -0.154 0.000 1.059 666 V CA 1.733 64.037 62.300 0.006 0.000 1.051 666 V CB -0.281 31.668 31.823 0.209 0.000 0.658 666 V HN 0.563 nan 8.190 nan 0.000 0.455 667 C N 1.668 120.918 119.300 -0.084 0.000 2.814 667 C HA 0.513 4.975 4.460 0.003 0.000 0.269 667 C C -2.706 172.351 174.990 0.112 0.000 1.090 667 C CA -2.160 56.876 59.018 0.031 0.000 1.492 667 C CB -0.109 27.703 27.740 0.120 0.000 1.825 667 C HN 0.274 nan 8.230 nan 0.000 0.442 668 P HA 0.328 nan 4.420 nan 0.000 0.266 668 P C 0.897 178.431 177.300 0.390 0.000 1.195 668 P CA 1.914 65.125 63.100 0.184 0.000 0.768 668 P CB 0.596 32.451 31.700 0.260 0.000 0.838 669 G N 1.371 110.313 108.800 0.238 0.000 2.232 669 G HA2 -0.220 3.741 3.960 0.003 0.000 0.226 669 G HA3 -0.220 3.741 3.960 0.003 0.000 0.226 669 G C -0.085 174.964 174.900 0.248 0.000 0.996 669 G CA 0.067 45.313 45.100 0.243 0.000 0.626 669 G HN 0.566 nan 8.290 nan 0.000 0.509 670 M N 2.686 122.447 119.600 0.268 0.000 2.125 670 M HA 0.607 5.089 4.480 0.003 0.000 0.321 670 M C -2.467 173.813 176.300 -0.033 0.000 0.983 670 M CA -3.181 52.189 55.300 0.116 0.000 0.934 670 M CB 1.635 34.301 32.600 0.110 0.000 1.542 670 M HN -0.077 nan 8.290 nan 0.000 0.424 671 P HA 0.148 nan 4.420 nan 0.000 0.235 671 P C -1.261 176.009 177.300 -0.051 0.000 1.765 671 P CA 0.372 63.421 63.100 -0.085 0.000 1.034 671 P CB -0.442 31.255 31.700 -0.006 0.000 1.984 672 E N 0.952 121.029 120.200 -0.204 0.000 2.340 672 E HA 0.434 4.786 4.350 0.003 0.000 0.273 672 E C -1.170 175.228 176.600 -0.337 0.000 0.891 672 E CA -0.747 55.607 56.400 -0.077 0.000 0.757 672 E CB 1.766 31.444 29.700 -0.037 0.000 1.231 672 E HN 0.197 nan 8.360 nan 0.000 0.439 673 Y N 0.160 120.517 120.300 0.096 0.000 2.338 673 Y HA 0.484 5.036 4.550 0.003 0.000 0.333 673 Y C 0.134 176.137 175.900 0.171 0.000 0.968 673 Y CA -1.112 57.032 58.100 0.073 0.000 1.123 673 Y CB 1.837 40.343 38.460 0.077 0.000 1.165 673 Y HN 0.553 nan 8.280 nan 0.000 0.452 674 A N 4.200 127.179 122.820 0.265 0.000 2.477 674 A HA 0.417 4.739 4.320 0.003 0.000 0.246 674 A C -0.212 177.607 177.584 0.392 0.000 1.078 674 A CA -0.196 52.025 52.037 0.307 0.000 0.770 674 A CB -0.034 19.161 19.000 0.326 0.000 1.011 674 A HN 0.803 nan 8.150 nan 0.000 0.494 675 I N 2.570 123.388 120.570 0.413 0.000 2.395 675 I HA 0.377 4.549 4.170 0.003 0.000 0.289 675 I C 1.269 177.642 176.117 0.428 0.000 1.023 675 I CA 0.423 61.977 61.300 0.423 0.000 1.350 675 I CB 1.559 39.775 38.000 0.360 0.000 1.409 675 I HN 0.810 nan 8.210 nan 0.000 0.507 676 G N 3.305 112.354 108.800 0.414 0.000 3.198 676 G HA2 0.408 4.370 3.960 0.003 0.000 0.203 676 G HA3 0.408 4.370 3.960 0.003 0.000 0.203 676 G C -0.565 174.387 174.900 0.087 0.000 1.950 676 G CA -0.063 45.170 45.100 0.222 0.000 0.798 676 G HN 0.505 nan 8.290 nan 0.000 0.720 677 S N 1.014 116.715 115.700 0.001 0.000 2.592 677 S HA 0.576 5.048 4.470 0.003 0.000 0.275 677 S C -3.124 171.424 174.600 -0.086 0.000 1.169 677 S CA -0.926 57.255 58.200 -0.032 0.000 0.958 677 S CB 2.262 65.404 63.200 -0.097 0.000 1.095 677 S HN 0.307 nan 8.310 nan 0.000 0.471 678 P HA 0.229 nan 4.420 nan 0.000 0.274 678 P C 0.499 177.684 177.300 -0.193 0.000 1.231 678 P CA -0.558 62.483 63.100 -0.099 0.000 0.790 678 P CB 0.882 32.570 31.700 -0.020 0.000 0.951 679 L N 1.390 122.426 121.223 -0.312 0.000 2.307 679 L HA 0.287 4.628 4.340 0.003 0.000 0.211 679 L C 0.439 176.934 176.870 -0.625 0.000 1.099 679 L CA 1.134 55.653 54.840 -0.534 0.000 0.816 679 L CB -0.400 41.183 42.059 -0.793 0.000 0.952 679 L HN 0.165 nan 8.230 nan 0.000 0.455 680 F N -0.749 119.084 119.950 -0.195 0.000 2.509 680 F HA 0.362 4.891 4.527 0.003 0.000 0.334 680 F C 1.588 177.320 175.800 -0.114 0.000 1.060 680 F CA -0.683 57.218 58.000 -0.165 0.000 0.997 680 F CB 0.682 39.551 39.000 -0.220 0.000 1.271 680 F HN -0.371 nan 8.300 nan 0.000 0.488 681 K N 0.038 120.516 120.400 0.130 0.000 2.288 681 K HA -0.026 4.296 4.320 0.003 0.000 0.201 681 K C 0.055 176.681 176.600 0.043 0.000 1.048 681 K CA 1.060 57.380 56.287 0.054 0.000 0.956 681 K CB 0.202 32.726 32.500 0.040 0.000 0.746 681 K HN 0.384 nan 8.250 nan 0.000 0.461 682 K N 0.578 121.011 120.400 0.056 0.000 2.570 682 K HA 0.152 4.474 4.320 0.003 0.000 0.256 682 K C -1.745 174.828 176.600 -0.045 0.000 0.939 682 K CA -0.546 55.743 56.287 0.003 0.000 0.833 682 K CB 1.864 34.357 32.500 -0.012 0.000 1.318 682 K HN -0.110 nan 8.250 nan 0.000 0.433 683 V N -0.354 119.536 119.914 -0.041 0.000 2.735 683 V HA 0.700 4.822 4.120 0.003 0.000 0.310 683 V C -0.773 175.294 176.094 -0.045 0.000 1.061 683 V CA -0.550 61.701 62.300 -0.081 0.000 0.913 683 V CB 1.745 33.506 31.823 -0.103 0.000 1.005 683 V HN 0.705 nan 8.190 nan 0.000 0.428 684 T N 5.683 120.192 114.554 -0.076 0.000 2.809 684 T HA 0.691 5.043 4.350 0.003 0.000 0.284 684 T C -0.647 173.912 174.700 -0.234 0.000 0.992 684 T CA -0.204 61.801 62.100 -0.158 0.000 0.957 684 T CB 1.120 69.863 68.868 -0.209 0.000 0.942 684 T HN 0.559 nan 8.240 nan 0.000 0.439 685 L N 4.666 125.792 121.223 -0.161 0.000 2.264 685 L HA 0.323 4.665 4.340 0.003 0.000 0.289 685 L C 0.437 177.165 176.870 -0.236 0.000 1.044 685 L CA -0.413 54.351 54.840 -0.127 0.000 0.807 685 L CB 0.331 42.402 42.059 0.021 0.000 1.192 685 L HN 0.586 nan 8.230 nan 0.000 0.425 686 H N 5.509 124.580 119.070 0.002 0.000 2.761 686 H HA 0.409 4.967 4.556 0.003 0.000 0.284 686 H C -0.212 175.093 175.328 -0.038 0.000 1.105 686 H CA -0.202 55.839 56.048 -0.012 0.000 1.352 686 H CB 0.720 30.471 29.762 -0.019 0.000 1.423 686 H HN 0.448 nan 8.280 nan 0.000 0.464 687 L N 4.569 125.830 121.223 0.062 0.000 2.347 687 L HA 0.424 4.766 4.340 0.003 0.000 0.268 687 L C -1.888 174.997 176.870 0.025 0.000 1.019 687 L CA -2.178 52.671 54.840 0.014 0.000 0.806 687 L CB 0.679 42.732 42.059 -0.010 0.000 1.339 687 L HN 0.360 nan 8.230 nan 0.000 0.463 688 P HA 0.067 nan 4.420 nan 0.000 0.270 688 P C -0.790 176.521 177.300 0.019 0.000 1.223 688 P CA -0.046 63.066 63.100 0.020 0.000 0.785 688 P CB 0.292 32.005 31.700 0.023 0.000 0.923 689 E N 0.357 120.568 120.200 0.018 0.000 2.553 689 E HA -0.240 4.112 4.350 0.003 0.000 0.264 689 E C 0.798 177.409 176.600 0.019 0.000 1.068 689 E CA 0.609 57.018 56.400 0.016 0.000 0.774 689 E CB -2.502 27.206 29.700 0.013 0.000 1.349 689 E HN 0.966 nan 8.360 nan 0.000 0.404 690 G N -0.047 108.768 108.800 0.025 0.000 2.166 690 G HA2 -0.368 3.594 3.960 0.003 0.000 0.260 690 G HA3 -0.368 3.594 3.960 0.003 0.000 0.260 690 G C 0.271 175.197 174.900 0.043 0.000 0.986 690 G CA 1.051 46.171 45.100 0.033 0.000 0.683 690 G HN 0.176 nan 8.290 nan 0.000 0.527 691 K N 0.578 121.002 120.400 0.040 0.000 2.185 691 K HA 0.464 4.786 4.320 0.003 0.000 0.271 691 K C 0.340 176.971 176.600 0.052 0.000 1.013 691 K CA -0.098 56.211 56.287 0.037 0.000 0.943 691 K CB 1.149 33.664 32.500 0.026 0.000 0.998 691 K HN 0.767 nan 8.250 nan 0.000 0.468 692 N N -0.194 118.526 118.700 0.034 0.000 2.287 692 N HA 0.413 5.155 4.740 0.003 0.000 0.289 692 N C -1.601 173.913 175.510 0.005 0.000 1.066 692 N CA -0.785 52.265 53.050 -0.000 0.000 0.841 692 N CB 1.130 39.597 38.487 -0.033 0.000 1.599 692 N HN 0.353 nan 8.380 nan 0.000 0.476 693 F N 2.399 122.269 119.950 -0.133 0.000 2.467 693 F HA 0.614 5.142 4.527 0.003 0.000 0.336 693 F C -1.105 174.627 175.800 -0.114 0.000 1.123 693 F CA -0.708 57.219 58.000 -0.122 0.000 0.964 693 F CB 1.382 40.302 39.000 -0.134 0.000 1.136 693 F HN 0.341 nan 8.300 nan 0.000 0.447 694 V N 6.579 126.200 119.914 -0.489 0.000 2.435 694 V HA 0.390 4.511 4.120 0.003 0.000 0.290 694 V C -0.656 175.304 176.094 -0.225 0.000 1.030 694 V CA -0.825 61.320 62.300 -0.259 0.000 0.881 694 V CB 1.588 33.264 31.823 -0.245 0.000 0.983 694 V HN 0.505 nan 8.190 nan 0.000 0.445 695 V N 4.779 124.701 119.914 0.013 0.000 2.311 695 V HA 0.415 4.537 4.120 0.003 0.000 0.275 695 V C 0.333 176.432 176.094 0.009 0.000 1.022 695 V CA -0.282 62.057 62.300 0.065 0.000 0.830 695 V CB 1.356 33.297 31.823 0.196 0.000 1.012 695 V HN 0.982 nan 8.190 nan 0.000 0.452 696 S N 3.606 119.290 115.700 -0.027 0.000 2.475 696 S HA 0.860 5.331 4.470 0.003 0.000 0.298 696 S C -0.138 174.461 174.600 -0.002 0.000 1.119 696 S CA -0.210 57.977 58.200 -0.022 0.000 1.085 696 S CB 1.999 65.172 63.200 -0.046 0.000 1.028 696 S HN 1.167 nan 8.310 nan 0.000 0.489 697 A N 2.091 124.914 122.820 0.005 0.000 3.266 697 A HA 0.763 5.084 4.320 0.003 0.000 0.310 697 A C 0.992 178.578 177.584 0.004 0.000 1.066 697 A CA -0.227 51.815 52.037 0.008 0.000 0.839 697 A CB -0.246 18.759 19.000 0.009 0.000 1.192 697 A HN 1.407 nan 8.150 nan 0.000 0.496 698 A N 0.220 123.040 122.820 0.001 0.000 2.024 698 A HA -0.075 4.246 4.320 0.003 0.000 0.220 698 A C 1.072 178.657 177.584 0.001 0.000 1.164 698 A CA 1.846 53.884 52.037 0.001 0.000 0.643 698 A CB -0.097 18.902 19.000 -0.002 0.000 0.806 698 A HN 0.507 nan 8.150 nan 0.000 0.451 699 D N -0.335 120.065 120.400 0.001 0.000 2.388 699 D HA 0.062 4.704 4.640 0.003 0.000 0.221 699 D C -0.054 176.242 176.300 -0.007 0.000 1.133 699 D CA -0.234 53.766 54.000 -0.000 0.000 0.831 699 D CB -0.276 40.527 40.800 0.004 0.000 0.962 699 D HN 0.220 nan 8.370 nan 0.000 0.502 700 N N 1.466 120.158 118.700 -0.013 0.000 2.407 700 N HA 0.204 4.946 4.740 0.003 0.000 0.250 700 N C -0.481 175.004 175.510 -0.042 0.000 1.236 700 N CA 0.431 53.461 53.050 -0.034 0.000 0.879 700 N CB 0.701 39.160 38.487 -0.046 0.000 1.088 700 N HN 0.083 nan 8.380 nan 0.000 0.450 701 A N 1.135 123.919 122.820 -0.059 0.000 2.564 701 A HA 0.669 4.990 4.320 0.003 0.000 0.291 701 A C 0.493 178.026 177.584 -0.085 0.000 1.102 701 A CA -0.041 51.959 52.037 -0.061 0.000 0.660 701 A CB 0.016 18.994 19.000 -0.036 0.000 1.283 701 A HN 0.577 nan 8.150 nan 0.000 0.430 702 A N 0.017 122.789 122.820 -0.080 0.000 1.972 702 A HA -0.047 4.275 4.320 0.003 0.000 0.219 702 A C 1.203 178.732 177.584 -0.092 0.000 1.169 702 A CA 2.390 54.371 52.037 -0.094 0.000 0.635 702 A CB -0.551 18.407 19.000 -0.071 0.000 0.810 702 A HN 1.022 nan 8.150 nan 0.000 0.446 703 D N -1.328 119.036 120.400 -0.059 0.000 2.342 703 D HA 0.056 4.698 4.640 0.003 0.000 0.221 703 D C 0.411 176.691 176.300 -0.034 0.000 1.101 703 D CA -0.056 53.921 54.000 -0.038 0.000 0.837 703 D CB -0.242 40.554 40.800 -0.008 0.000 0.938 703 D HN 0.387 nan 8.370 nan 0.000 0.508 704 R N 1.062 121.523 120.500 -0.066 0.000 2.748 704 R HA 0.245 4.587 4.340 0.003 0.000 0.283 704 R C -1.998 174.229 176.300 -0.121 0.000 1.507 704 R CA -1.137 54.936 56.100 -0.046 0.000 1.666 704 R CB 1.380 31.674 30.300 -0.010 0.000 1.237 704 R HN 0.048 nan 8.270 nan 0.000 0.633 705 P HA -0.085 nan 4.420 nan 0.000 0.235 705 P C -0.370 176.726 177.300 -0.339 0.000 1.177 705 P CA 0.652 63.521 63.100 -0.385 0.000 0.785 705 P CB 0.297 31.647 31.700 -0.584 0.000 0.885 706 Y N 0.330 120.641 120.300 0.019 0.000 2.299 706 Y HA 0.272 4.824 4.550 0.003 0.000 0.326 706 Y C 1.346 177.271 175.900 0.042 0.000 1.164 706 Y CA -0.791 57.335 58.100 0.044 0.000 1.234 706 Y CB 0.266 38.750 38.460 0.040 0.000 1.219 706 Y HN -0.254 nan 8.280 nan 0.000 0.497 707 I N 4.160 124.873 120.570 0.237 0.000 2.291 707 I HA 0.198 4.370 4.170 0.003 0.000 0.292 707 I C 1.398 177.606 176.117 0.151 0.000 1.064 707 I CA -0.048 61.352 61.300 0.166 0.000 1.269 707 I CB 0.877 38.977 38.000 0.166 0.000 1.418 707 I HN 0.714 nan 8.210 nan 0.000 0.485 708 R N 6.128 126.694 120.500 0.110 0.000 2.073 708 R HA 0.072 4.413 4.340 0.003 0.000 0.229 708 R C 0.547 176.885 176.300 0.064 0.000 1.120 708 R CA 1.200 57.340 56.100 0.067 0.000 0.967 708 R CB 0.383 30.708 30.300 0.042 0.000 0.862 708 R HN 0.544 nan 8.270 nan 0.000 0.436 709 K N -1.062 119.383 120.400 0.075 0.000 2.556 709 K HA 0.535 4.857 4.320 0.003 0.000 0.274 709 K C -2.193 174.468 176.600 0.101 0.000 0.966 709 K CA -0.668 55.665 56.287 0.076 0.000 0.865 709 K CB 2.251 34.782 32.500 0.051 0.000 1.444 709 K HN 0.126 nan 8.250 nan 0.000 0.433 710 A N 3.062 125.959 122.820 0.129 0.000 2.520 710 A HA 0.676 4.998 4.320 0.003 0.000 0.298 710 A C -1.798 175.883 177.584 0.162 0.000 1.051 710 A CA -0.758 51.378 52.037 0.164 0.000 0.690 710 A CB 1.149 20.323 19.000 0.290 0.000 1.281 710 A HN 0.530 nan 8.150 nan 0.000 0.402 711 L N 2.015 123.288 121.223 0.084 0.000 2.356 711 L HA 0.531 4.873 4.340 0.003 0.000 0.277 711 L C -1.108 175.730 176.870 -0.054 0.000 0.996 711 L CA -0.824 54.045 54.840 0.047 0.000 0.822 711 L CB 1.847 43.913 42.059 0.010 0.000 1.256 711 L HN 0.646 nan 8.230 nan 0.000 0.413 712 L N 4.349 125.532 121.223 -0.068 0.000 2.276 712 L HA 0.401 4.743 4.340 0.003 0.000 0.286 712 L C 0.245 177.058 176.870 -0.095 0.000 1.024 712 L CA 0.136 54.852 54.840 -0.207 0.000 0.826 712 L CB 0.352 42.192 42.059 -0.365 0.000 1.211 712 L HN 0.657 nan 8.230 nan 0.000 0.422 713 N N 4.204 122.830 118.700 -0.123 0.000 2.714 713 N HA -0.215 4.526 4.740 0.003 0.000 0.252 713 N C 0.930 176.410 175.510 -0.050 0.000 1.014 713 N CA 0.752 53.748 53.050 -0.089 0.000 0.735 713 N CB -1.103 37.349 38.487 -0.059 0.000 0.924 713 N HN 1.197 nan 8.380 nan 0.000 0.540 714 G N -1.985 106.786 108.800 -0.048 0.000 2.199 714 G HA2 -0.332 3.630 3.960 0.003 0.000 0.254 714 G HA3 -0.332 3.630 3.960 0.003 0.000 0.254 714 G C -0.202 174.699 174.900 0.001 0.000 0.982 714 G CA 0.304 45.390 45.100 -0.023 0.000 0.632 714 G HN 0.396 nan 8.290 nan 0.000 0.529 715 Q N 0.508 120.318 119.800 0.017 0.000 2.274 715 Q HA 0.434 4.776 4.340 0.003 0.000 0.260 715 Q C 0.188 176.239 176.000 0.085 0.000 0.974 715 Q CA -0.657 55.173 55.803 0.045 0.000 0.876 715 Q CB 1.766 30.536 28.738 0.053 0.000 1.297 715 Q HN 0.617 nan 8.270 nan 0.000 0.446 716 E N 1.969 122.215 120.200 0.076 0.000 2.502 716 E HA -0.001 4.351 4.350 0.003 0.000 0.261 716 E C -1.376 175.321 176.600 0.162 0.000 0.974 716 E CA 0.287 56.745 56.400 0.096 0.000 0.936 716 E CB 0.370 30.101 29.700 0.051 0.000 0.926 716 E HN 0.392 nan 8.360 nan 0.000 0.459 717 F N 4.094 124.041 119.950 -0.004 0.000 2.579 717 F HA 0.235 4.764 4.527 0.003 0.000 0.325 717 F C 0.220 176.017 175.800 -0.005 0.000 1.162 717 F CA -0.322 57.670 58.000 -0.013 0.000 0.946 717 F CB 1.692 40.687 39.000 -0.009 0.000 1.211 717 F HN 0.439 nan 8.300 nan 0.000 0.447 718 T N 1.140 115.391 114.554 -0.504 0.000 3.043 718 T HA 0.363 4.715 4.350 0.003 0.000 0.272 718 T C 0.671 175.067 174.700 -0.506 0.000 0.990 718 T CA -0.298 61.588 62.100 -0.357 0.000 0.897 718 T CB -0.057 68.709 68.868 -0.169 0.000 1.111 718 T HN 0.500 nan 8.240 nan 0.000 0.529 719 R N 1.995 121.901 120.500 -0.991 0.000 2.643 719 R HA 0.300 4.642 4.340 0.003 0.000 0.270 719 R C 0.088 176.119 176.300 -0.449 0.000 1.061 719 R CA -0.316 55.337 56.100 -0.744 0.000 1.107 719 R CB 0.233 29.931 30.300 -1.002 0.000 0.999 719 R HN 0.174 nan 8.270 nan 0.000 0.460 720 N N 1.959 120.615 118.700 -0.073 0.000 2.346 720 N HA 0.044 4.785 4.740 0.003 0.000 0.225 720 N C -1.092 174.583 175.510 0.275 0.000 1.144 720 N CA 0.199 53.329 53.050 0.134 0.000 0.837 720 N CB 0.082 38.673 38.487 0.174 0.000 1.069 720 N HN 0.467 nan 8.380 nan 0.000 0.487 721 Y N -2.519 117.870 120.300 0.150 0.000 2.592 721 Y HA 0.570 5.122 4.550 0.003 0.000 0.334 721 Y C -1.614 174.457 175.900 0.285 0.000 1.136 721 Y CA -1.334 56.881 58.100 0.191 0.000 1.042 721 Y CB 0.743 39.264 38.460 0.101 0.000 1.325 721 Y HN -0.270 nan 8.280 nan 0.000 0.457 722 L N 3.117 124.516 121.223 0.294 0.000 2.334 722 L HA 0.659 5.001 4.340 0.003 0.000 0.276 722 L C 0.305 177.343 176.870 0.280 0.000 1.014 722 L CA -0.990 53.929 54.840 0.131 0.000 0.815 722 L CB 2.390 44.333 42.059 -0.194 0.000 1.268 722 L HN 0.958 nan 8.230 nan 0.000 0.428 723 T N -3.545 111.147 114.554 0.229 0.000 2.882 723 T HA 0.083 4.435 4.350 0.003 0.000 0.287 723 T C 1.113 175.934 174.700 0.202 0.000 1.014 723 T CA -0.336 61.917 62.100 0.255 0.000 1.049 723 T CB 0.952 69.952 68.868 0.219 0.000 1.001 723 T HN 0.641 nan 8.240 nan 0.000 0.525 724 H N 0.699 119.877 119.070 0.180 0.000 2.352 724 H HA -0.125 4.433 4.556 0.003 0.000 0.299 724 H C 1.172 176.527 175.328 0.044 0.000 1.097 724 H CA 2.217 58.384 56.048 0.199 0.000 1.311 724 H CB 0.007 29.886 29.762 0.194 0.000 1.377 724 H HN 0.696 nan 8.280 nan 0.000 0.504 725 D N 0.479 120.926 120.400 0.078 0.000 2.144 725 D HA -0.116 4.526 4.640 0.003 0.000 0.199 725 D C 2.117 178.380 176.300 -0.062 0.000 0.984 725 D CA 0.847 54.847 54.000 0.001 0.000 0.834 725 D CB -0.191 40.644 40.800 0.058 0.000 0.955 725 D HN 0.587 nan 8.370 nan 0.000 0.465 726 E N -0.035 120.128 120.200 -0.062 0.000 2.110 726 E HA -0.118 4.234 4.350 0.003 0.000 0.193 726 E C 2.278 178.740 176.600 -0.230 0.000 0.988 726 E CA 0.479 56.828 56.400 -0.086 0.000 0.804 726 E CB 0.010 29.668 29.700 -0.070 0.000 0.745 726 E HN 0.261 nan 8.360 nan 0.000 0.458 727 L N 0.700 121.624 121.223 -0.498 0.000 2.044 727 L HA -0.157 4.185 4.340 0.003 0.000 0.205 727 L C 2.559 179.223 176.870 -0.343 0.000 1.075 727 L CA 1.133 55.495 54.840 -0.798 0.000 0.747 727 L CB -0.273 41.247 42.059 -0.899 0.000 0.903 727 L HN -0.011 nan 8.230 nan 0.000 0.435 728 K N 0.317 120.517 120.400 -0.334 0.000 2.103 728 K HA -0.254 4.068 4.320 0.003 0.000 0.207 728 K C 2.099 178.653 176.600 -0.076 0.000 1.048 728 K CA 1.767 57.921 56.287 -0.221 0.000 0.930 728 K CB -0.019 32.331 32.500 -0.249 0.000 0.716 728 K HN 0.447 nan 8.250 nan 0.000 0.444 729 Q N -0.411 119.366 119.800 -0.039 0.000 2.451 729 Q HA 0.083 4.425 4.340 0.003 0.000 0.206 729 Q C 0.353 176.379 176.000 0.043 0.000 0.947 729 Q CA 0.507 56.314 55.803 0.007 0.000 0.937 729 Q CB 0.226 28.971 28.738 0.013 0.000 1.025 729 Q HN 0.253 nan 8.270 nan 0.000 0.511 730 G N -0.883 107.978 108.800 0.102 0.000 2.758 730 G HA2 0.210 4.172 3.960 0.003 0.000 0.686 730 G HA3 0.210 4.172 3.960 0.003 0.000 0.686 730 G C 0.038 175.006 174.900 0.114 0.000 1.389 730 G CA -0.445 44.737 45.100 0.137 0.000 0.845 730 G HN 1.062 nan 8.290 nan 0.000 0.572 731 G N -0.507 108.237 108.800 -0.092 0.000 2.288 731 G HA2 0.609 4.571 3.960 0.003 0.000 0.227 731 G HA3 0.609 4.571 3.960 0.003 0.000 0.227 731 G C -0.761 173.672 174.900 -0.778 0.000 1.339 731 G CA 0.733 45.653 45.100 -0.300 0.000 1.057 731 G HN 1.810 nan 8.290 nan 0.000 0.470 732 E N -0.925 118.815 120.200 -0.766 0.000 2.311 732 E HA 0.517 4.869 4.350 0.003 0.000 0.281 732 E C -1.883 174.401 176.600 -0.526 0.000 0.905 732 E CA -0.782 55.163 56.400 -0.758 0.000 0.778 732 E CB 2.045 31.508 29.700 -0.395 0.000 1.240 732 E HN 0.732 nan 8.360 nan 0.000 0.410 733 L N 4.921 125.870 121.223 -0.457 0.000 2.262 733 L HA 0.467 4.809 4.340 0.003 0.000 0.288 733 L C -1.086 175.711 176.870 -0.122 0.000 1.035 733 L CA -0.292 54.431 54.840 -0.194 0.000 0.820 733 L CB 1.032 43.081 42.059 -0.017 0.000 1.204 733 L HN 0.447 nan 8.230 nan 0.000 0.424 734 N N 6.248 124.890 118.700 -0.096 0.000 2.437 734 N HA 0.357 5.099 4.740 0.003 0.000 0.259 734 N C -1.503 174.008 175.510 0.002 0.000 0.983 734 N CA -0.314 52.706 53.050 -0.049 0.000 0.937 734 N CB 0.921 39.377 38.487 -0.052 0.000 1.122 734 N HN 0.630 nan 8.380 nan 0.000 0.499 735 L N 1.983 123.218 121.223 0.019 0.000 2.307 735 L HA 0.384 4.726 4.340 0.003 0.000 0.284 735 L C 0.233 177.127 176.870 0.039 0.000 1.023 735 L CA -0.765 54.104 54.840 0.050 0.000 0.810 735 L CB 1.744 43.842 42.059 0.066 0.000 1.231 735 L HN 0.337 nan 8.230 nan 0.000 0.423 736 S N 4.501 120.230 115.700 0.048 0.000 2.410 736 S HA 0.533 5.005 4.470 0.003 0.000 0.304 736 S C 0.026 174.656 174.600 0.050 0.000 1.095 736 S CA -0.751 57.472 58.200 0.039 0.000 1.089 736 S CB 0.759 63.981 63.200 0.036 0.000 0.968 736 S HN 0.375 nan 8.310 nan 0.000 0.480 737 M N 2.897 122.521 119.600 0.040 0.000 2.342 737 M HA 0.544 5.026 4.480 0.003 0.000 0.332 737 M C -0.138 176.195 176.300 0.056 0.000 1.166 737 M CA -0.461 54.867 55.300 0.048 0.000 1.086 737 M CB 0.811 33.422 32.600 0.017 0.000 1.541 737 M HN 0.478 nan 8.290 nan 0.000 0.462 738 D N -0.630 119.826 120.400 0.093 0.000 2.583 738 D HA 0.345 4.987 4.640 0.003 0.000 0.248 738 D C 0.096 176.504 176.300 0.180 0.000 1.209 738 D CA -0.215 53.849 54.000 0.106 0.000 0.848 738 D CB 1.671 42.526 40.800 0.091 0.000 1.431 738 D HN 0.585 nan 8.370 nan 0.000 0.436 739 S N -0.587 115.200 115.700 0.145 0.000 2.548 739 S HA 0.245 4.716 4.470 0.003 0.000 0.215 739 S C 0.786 175.543 174.600 0.261 0.000 0.976 739 S CA 0.270 58.582 58.200 0.186 0.000 0.908 739 S CB -0.389 62.862 63.200 0.085 0.000 0.781 739 S HN 0.441 nan 8.310 nan 0.000 0.519 740 V N -2.176 117.806 119.914 0.113 0.000 2.914 740 V HA 0.765 4.887 4.120 0.003 0.000 0.314 740 V C -3.297 172.474 176.094 -0.539 0.000 1.084 740 V CA -3.082 59.097 62.300 -0.201 0.000 0.963 740 V CB 1.531 33.243 31.823 -0.186 0.000 1.025 740 V HN -0.082 nan 8.190 nan 0.000 0.432 741 P HA 0.255 nan 4.420 nan 0.000 0.274 741 P C -0.996 175.985 177.300 -0.531 0.000 1.231 741 P CA -0.076 62.434 63.100 -0.983 0.000 0.790 741 P CB 0.385 31.381 31.700 -1.174 0.000 0.951 742 N N 1.790 120.308 118.700 -0.304 0.000 2.462 742 N HA 0.066 4.808 4.740 0.003 0.000 0.242 742 N C 0.324 175.649 175.510 -0.308 0.000 1.010 742 N CA 0.026 52.939 53.050 -0.229 0.000 0.939 742 N CB 0.329 38.778 38.487 -0.063 0.000 1.127 742 N HN 0.241 nan 8.380 nan 0.000 0.509 743 Q N 1.557 121.049 119.800 -0.514 0.000 2.403 743 Q HA 0.093 4.435 4.340 0.003 0.000 0.203 743 Q C 0.714 176.603 176.000 -0.184 0.000 0.932 743 Q CA 0.515 55.881 55.803 -0.729 0.000 0.945 743 Q CB 0.476 28.664 28.738 -0.917 0.000 1.045 743 Q HN 0.684 nan 8.270 nan 0.000 0.511 744 Q N -0.128 119.626 119.800 -0.077 0.000 2.391 744 Q HA 0.081 4.422 4.340 0.003 0.000 0.211 744 Q C 0.569 176.618 176.000 0.083 0.000 0.908 744 Q CA 0.060 55.873 55.803 0.016 0.000 0.920 744 Q CB 0.465 29.195 28.738 -0.014 0.000 1.056 744 Q HN 0.121 nan 8.270 nan 0.000 0.523 745 R N 0.482 121.044 120.500 0.103 0.000 2.340 745 R HA 0.263 4.605 4.340 0.003 0.000 0.300 745 R C 0.259 176.670 176.300 0.185 0.000 1.069 745 R CA 0.802 56.971 56.100 0.115 0.000 0.984 745 R CB 0.372 30.732 30.300 0.100 0.000 1.003 745 R HN 0.336 nan 8.270 nan 0.000 0.459 746 G N 2.746 111.615 108.800 0.115 0.000 2.176 746 G HA2 -0.296 3.665 3.960 0.003 0.000 0.252 746 G HA3 -0.296 3.665 3.960 0.003 0.000 0.252 746 G C 0.480 175.536 174.900 0.260 0.000 1.024 746 G CA 0.761 45.943 45.100 0.137 0.000 0.755 746 G HN 0.756 nan 8.290 nan 0.000 0.507 747 T N -3.580 111.116 114.554 0.235 0.000 3.054 747 T HA 0.413 4.764 4.350 0.003 0.000 0.255 747 T C 0.703 175.549 174.700 0.243 0.000 1.035 747 T CA 0.305 62.604 62.100 0.331 0.000 0.941 747 T CB 0.637 69.682 68.868 0.294 0.000 1.026 747 T HN 0.282 nan 8.240 nan 0.000 0.533 748 Q N 1.522 121.292 119.800 -0.050 0.000 2.222 748 Q HA 0.363 4.705 4.340 0.003 0.000 0.252 748 Q C -2.070 173.404 176.000 -0.877 0.000 0.926 748 Q CA -2.768 52.878 55.803 -0.261 0.000 0.899 748 Q CB 1.616 30.253 28.738 -0.169 0.000 1.250 748 Q HN 0.039 nan 8.270 nan 0.000 0.441 749 P HA -0.149 nan 4.420 nan 0.000 0.218 749 P C 0.707 177.634 177.300 -0.621 0.000 1.148 749 P CA 1.723 64.319 63.100 -0.841 0.000 0.822 749 P CB 0.219 31.793 31.700 -0.209 0.000 0.784 750 A N -0.212 122.382 122.820 -0.377 0.000 2.067 750 A HA -0.171 4.151 4.320 0.003 0.000 0.219 750 A C 1.732 179.205 177.584 -0.185 0.000 1.158 750 A CA 1.600 53.519 52.037 -0.197 0.000 0.661 750 A CB -1.041 17.881 19.000 -0.131 0.000 0.801 750 A HN 0.113 nan 8.150 nan 0.000 0.452 751 D N -0.931 119.255 120.400 -0.356 0.000 2.347 751 D HA 0.074 4.716 4.640 0.003 0.000 0.213 751 D C -0.293 176.082 176.300 0.125 0.000 0.985 751 D CA 0.255 54.154 54.000 -0.168 0.000 0.879 751 D CB -0.089 40.625 40.800 -0.144 0.000 0.919 751 D HN 0.352 nan 8.370 nan 0.000 0.526 752 F N 1.343 121.346 119.950 0.088 0.000 2.375 752 F HA 0.340 4.869 4.527 0.003 0.000 0.333 752 F C -1.580 174.174 175.800 -0.076 0.000 1.104 752 F CA -3.348 54.644 58.000 -0.014 0.000 1.149 752 F CB -0.275 38.712 39.000 -0.021 0.000 1.190 752 F HN -0.245 nan 8.300 nan 0.000 0.533 753 P HA 0.056 nan 4.420 nan 0.000 0.293 753 P C -1.006 176.225 177.300 -0.115 0.000 1.298 753 P CA -0.393 62.389 63.100 -0.531 0.000 0.757 753 P CB 0.312 31.617 31.700 -0.658 0.000 1.262 754 Y N -0.077 120.155 120.300 -0.113 0.000 2.411 754 Y HA 0.329 4.881 4.550 0.003 0.000 0.333 754 Y C -0.330 175.696 175.900 0.210 0.000 1.186 754 Y CA 0.855 58.998 58.100 0.070 0.000 1.381 754 Y CB 0.353 38.866 38.460 0.088 0.000 1.273 754 Y HN 0.161 nan 8.280 nan 0.000 0.546 755 S N 5.324 120.674 115.700 -0.582 0.000 2.548 755 S HA 0.098 4.570 4.470 0.003 0.000 0.286 755 S C -0.254 173.805 174.600 -0.901 0.000 1.098 755 S CA -0.751 57.113 58.200 -0.560 0.000 0.930 755 S CB 1.000 64.095 63.200 -0.176 0.000 1.070 755 S HN 0.799 nan 8.310 nan 0.000 0.480 756 Y N 2.836 122.818 120.300 -0.530 0.000 2.256 756 Y HA -0.120 4.431 4.550 0.003 0.000 0.288 756 Y C 1.878 177.739 175.900 -0.064 0.000 1.155 756 Y CA 1.903 59.947 58.100 -0.093 0.000 1.203 756 Y CB -0.053 38.583 38.460 0.294 0.000 0.980 756 Y HN 0.579 nan 8.280 nan 0.000 0.530 757 S N 0.277 115.878 115.700 -0.166 0.000 2.593 757 S HA 0.052 4.524 4.470 0.003 0.000 0.217 757 S C 0.832 175.335 174.600 -0.161 0.000 0.966 757 S CA -0.243 57.849 58.200 -0.179 0.000 0.914 757 S CB -0.081 63.121 63.200 0.003 0.000 0.776 757 S HN 0.261 nan 8.310 nan 0.000 0.523 758 K N 0.000 120.297 120.400 -0.171 0.000 2.780 758 K HA 0.000 4.322 4.320 0.003 0.000 0.191 758 K CA 0.000 56.229 56.287 -0.097 0.000 0.838 758 K CB 0.000 32.448 32.500 -0.086 0.000 1.064 758 K HN 0.000 nan 8.250 nan 0.000 0.543