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 3k1q_1_A DATA FIRST_RESID 1 DATA SEQUENCE MAAVFGIQLV PKLNTSTTRR TFLPLRFDLL LDRLQSTNLH GVLYRALDFN DATA SEQUENCE PVDRSATVIQ TYPPLNAWSP HHAFIENPLD YRDWTEFIHD RALAFVGVLT DATA SEQUENCE QRYPLTQNAQ RYTNPLVLGA AFGDFLNARS IDIFLDRLFY DPTQDSPITA DATA SEQUENCE ITKFPYQWTI DSNVTTDSVR TSAGCKYITL YGYDPSRPST PATYGKHRPT DATA SEQUENCE YATVFYYSTL PARSRLLANL AAGPTVLEHF DSPTYGPHLL LPQTGDVLGY DATA SEQUENCE SSSLISQAAL LMVESVMDAL RDNANASAST AVTRLDQSYH PVTSFDPSTF DATA SEQUENCE NTLLQRATNL ALLAVQGVQS ESAIPAIPTM SDVRSFVARL MAEGDPQQWF DATA SEQUENCE PYRVDQILYW PESPFVPPIG PFYAPFRPVN FPFTTGSYTV VPDASRPLRL DATA SEQUENCE LPQYRNATIT VQQADDAYED TALSPLITTH GFCVTGGVFT SIYDISGDPT DATA SEQUENCE AYPPAQLVDA PNDYFDRERM ARRDLFRRLR APADRSAIKD RAVFDFLASL DATA SEQUENCE VNPTTANPVL DTSFSMAYLG ASSAHANADE PVILADIRSG SIPGLPIPRR DATA SEQUENCE IVQFGYDVVH GSLLDLSRAV PTGTFGLVYA DLDQVEDAGT DMPAANRAAI DATA SEQUENCE AMLGTALQMT TAGGVSVLKV NFPTRAFWTQ VFNLYATHAT TLHLVKPTIV DATA SEQUENCE NSSEVFLVFG GRQSNGALRS TTALQRALLS LYARNAAIDR AVTHIPFFGV DATA SEQUENCE PDDGTSDLGI DAVRLFDPMF SDAVANLPSN ALASLVSRVV PSSIMFTRVP DATA SEQUENCE SNGPVSTTIY GKRTFLSNRR RARLRDVPML ITTTLVHQRR FTTPPTFTLF DATA SEQUENCE SSEAVPVTTL VAAGYNSFIS EQTRNPNLAH LLDLGTGPEC RILSLIPPTL DATA SEQUENCE QVTMSDSRPC AELMASFDPA LTAYVQGDYS TAAFWNGIRC DSATAIFTIG DATA SEQUENCE AAAAAAGTDL IAFVQQLIPR IVAAGGTRMW LQLNTPLYEV SSLPDLIEID DATA SEQUENCE LRDHVYRFNG GERVEPYADP VPLQQAIAAL LPAAALSWHT LSPTCDWLPY DATA SEQUENCE IIGVGSPLNL SDINTAISYS RLTPILHIDT TTPPLRVNPV PTPLNQQCAI DATA SEQUENCE RITSLDPAAV LSVQHNGVEV IGGTPGNVIS VAGAAALQYI LANQEFLLQF DATA SEQUENCE TPTLPGIFDV FLTTLGQPPV PRGSFTITPP PTTVALNMPP PRQLDFTDVG DATA SEQUENCE NDARITCDPY YQLAVCIFKD GQYVRVNPEK ASVVTNAPNR DLHFVLDLAD DATA SEQUENCE NHVLLYLCDV TPSGLGDRIA FPIVDIYRIA FPRNTPVRAS LPYTGGGAHL DATA SEQUENCE TSGGNPFMSL TTPPAVLPAG VALAALSTSV ATQYPTYTLP AGVYEYVIE 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.232 176.300 -0.113 0.000 1.140 1 M CA 0.000 55.271 55.300 -0.049 0.000 0.988 1 M CB 0.000 32.638 32.600 0.063 0.000 1.302 2 A N 0.390 123.168 122.820 -0.070 0.000 4.832 2 A HA -0.206 4.114 4.320 0.000 0.000 0.351 2 A C 1.017 178.540 177.584 -0.101 0.000 1.699 2 A CA 2.997 54.990 52.037 -0.073 0.000 0.731 2 A CB -2.422 16.534 19.000 -0.073 0.000 1.480 2 A HN 2.375 nan 8.150 nan 0.000 0.447 3 A N -0.390 122.351 122.820 -0.132 0.000 2.807 3 A HA 0.538 4.858 4.320 0.000 0.000 0.307 3 A C -0.123 177.329 177.584 -0.219 0.000 1.532 3 A CA 0.471 52.419 52.037 -0.149 0.000 1.215 3 A CB -0.306 18.615 19.000 -0.131 0.000 1.127 3 A HN 1.401 nan 8.150 nan 0.000 0.543 4 V N 4.669 124.459 119.914 -0.207 0.000 2.270 4 V HA 0.342 4.462 4.120 0.000 0.000 0.263 4 V C 0.505 176.469 176.094 -0.216 0.000 1.066 4 V CA 0.091 62.222 62.300 -0.281 0.000 0.857 4 V CB -1.945 29.775 31.823 -0.173 0.000 1.099 4 V HN 0.920 nan 8.190 nan 0.000 0.476 5 F N 2.928 122.844 119.950 -0.056 0.000 2.640 5 F HA -0.323 4.204 4.527 0.000 0.000 0.227 5 F C 1.991 177.750 175.800 -0.069 0.000 1.481 5 F CA 1.884 59.855 58.000 -0.049 0.000 1.964 5 F CB -1.382 37.593 39.000 -0.041 0.000 0.564 5 F HN 0.464 nan 8.300 nan 0.000 0.224 6 G N 0.378 109.238 108.800 0.101 0.000 3.820 6 G HA2 0.488 4.448 3.960 0.000 0.000 0.293 6 G HA3 0.488 4.448 3.960 0.000 0.000 0.293 6 G C -0.586 174.269 174.900 -0.074 0.000 1.152 6 G CA 0.106 45.205 45.100 -0.001 0.000 0.921 6 G HN 0.213 nan 8.290 nan 0.000 0.544 7 I N 1.079 121.593 120.570 -0.093 0.000 2.495 7 I HA 0.228 4.398 4.170 0.000 0.000 0.277 7 I C -0.438 175.628 176.117 -0.085 0.000 1.045 7 I CA -1.122 60.104 61.300 -0.123 0.000 1.135 7 I CB 1.307 39.175 38.000 -0.221 0.000 1.241 7 I HN 0.034 nan 8.210 nan 0.000 0.469 8 Q N 5.714 125.464 119.800 -0.083 0.000 2.286 8 Q HA 0.360 4.700 4.340 0.000 0.000 0.265 8 Q C -0.637 175.342 176.000 -0.034 0.000 1.080 8 Q CA 0.339 56.093 55.803 -0.081 0.000 0.906 8 Q CB 0.514 29.169 28.738 -0.138 0.000 1.227 8 Q HN 0.524 nan 8.270 nan 0.000 0.409 9 L N 2.658 123.866 121.223 -0.024 0.000 2.488 9 L HA 0.490 4.830 4.340 0.000 0.000 0.249 9 L C 0.174 177.061 176.870 0.027 0.000 1.151 9 L CA -1.148 53.697 54.840 0.009 0.000 0.806 9 L CB 0.539 42.602 42.059 0.008 0.000 1.261 9 L HN 0.448 nan 8.230 nan 0.000 0.484 10 V N -2.221 117.724 119.914 0.052 0.000 2.743 10 V HA 0.279 4.399 4.120 0.000 0.000 0.301 10 V C -2.020 174.108 176.094 0.057 0.000 1.057 10 V CA -1.302 61.041 62.300 0.072 0.000 1.006 10 V CB 0.703 32.596 31.823 0.117 0.000 1.024 10 V HN 0.587 nan 8.190 nan 0.000 0.473 11 P HA 0.056 nan 4.420 nan 0.000 0.231 11 P C -0.295 177.035 177.300 0.051 0.000 1.158 11 P CA 1.140 64.259 63.100 0.031 0.000 0.763 11 P CB -0.011 31.695 31.700 0.010 0.000 0.805 12 K N -0.206 120.243 120.400 0.081 0.000 2.358 12 K HA 0.405 4.725 4.320 0.000 0.000 0.260 12 K C -0.776 175.900 176.600 0.127 0.000 0.956 12 K CA -0.755 55.596 56.287 0.107 0.000 0.834 12 K CB 1.520 34.088 32.500 0.112 0.000 1.102 12 K HN -0.173 nan 8.250 nan 0.000 0.431 13 L N 2.305 123.628 121.223 0.167 0.000 2.375 13 L HA 0.411 4.751 4.340 0.000 0.000 0.271 13 L C -0.211 176.748 176.870 0.148 0.000 1.107 13 L CA -0.195 54.751 54.840 0.176 0.000 0.806 13 L CB 0.584 42.798 42.059 0.259 0.000 1.146 13 L HN 0.597 nan 8.230 nan 0.000 0.447 14 N N -0.768 117.990 118.700 0.097 0.000 2.371 14 N HA 0.681 5.421 4.740 0.000 0.000 0.280 14 N C -1.433 174.095 175.510 0.030 0.000 1.084 14 N CA -0.441 52.648 53.050 0.065 0.000 0.892 14 N CB 1.795 40.322 38.487 0.067 0.000 1.653 14 N HN 0.720 nan 8.380 nan 0.000 0.480 15 T N -1.379 113.178 114.554 0.005 0.000 2.916 15 T HA 0.638 4.988 4.350 0.000 0.000 0.292 15 T C -0.627 174.065 174.700 -0.014 0.000 1.064 15 T CA -0.787 61.303 62.100 -0.016 0.000 1.011 15 T CB 1.548 70.385 68.868 -0.052 0.000 1.152 15 T HN 0.231 nan 8.240 nan 0.000 0.510 16 S N -0.055 115.635 115.700 -0.016 0.000 2.475 16 S HA 0.524 4.994 4.470 0.000 0.000 0.298 16 S C 1.260 175.841 174.600 -0.030 0.000 1.119 16 S CA -0.165 58.026 58.200 -0.016 0.000 1.085 16 S CB 0.887 64.084 63.200 -0.006 0.000 1.028 16 S HN 0.949 nan 8.310 nan 0.000 0.489 17 T N 0.197 114.731 114.554 -0.033 0.000 3.033 17 T HA 0.116 4.466 4.350 0.000 0.000 0.248 17 T C 0.794 175.468 174.700 -0.045 0.000 1.040 17 T CA 0.504 62.577 62.100 -0.045 0.000 1.133 17 T CB -0.664 68.174 68.868 -0.049 0.000 0.895 17 T HN 0.671 nan 8.240 nan 0.000 0.465 18 T N 2.260 116.794 114.554 -0.033 0.000 2.744 18 T HA 0.620 4.970 4.350 0.000 0.000 0.291 18 T C -0.335 174.350 174.700 -0.025 0.000 0.957 18 T CA -1.095 60.986 62.100 -0.030 0.000 1.002 18 T CB 1.131 69.986 68.868 -0.021 0.000 0.919 18 T HN 0.689 nan 8.240 nan 0.000 0.468 19 R N 2.131 122.610 120.500 -0.035 0.000 2.670 19 R HA 0.601 4.941 4.340 0.000 0.000 0.289 19 R C -0.283 176.003 176.300 -0.024 0.000 0.965 19 R CA -1.196 54.888 56.100 -0.028 0.000 0.899 19 R CB 1.806 32.078 30.300 -0.047 0.000 1.173 19 R HN 0.555 nan 8.270 nan 0.000 0.456 20 R N 1.072 121.575 120.500 0.006 0.000 2.734 20 R HA 0.055 4.395 4.340 0.000 0.000 0.266 20 R C -0.408 175.911 176.300 0.031 0.000 1.044 20 R CA 0.395 56.515 56.100 0.033 0.000 1.128 20 R CB 0.697 31.040 30.300 0.072 0.000 1.010 20 R HN 0.859 nan 8.270 nan 0.000 0.461 21 T N 0.656 115.244 114.554 0.057 0.000 2.882 21 T HA 0.291 4.641 4.350 0.000 0.000 0.287 21 T C -0.008 174.838 174.700 0.245 0.000 0.992 21 T CA -0.697 61.444 62.100 0.070 0.000 1.076 21 T CB 0.660 69.553 68.868 0.042 0.000 0.961 21 T HN 0.228 nan 8.240 nan 0.000 0.490 22 F N 2.731 122.684 119.950 0.006 0.000 2.556 22 F HA 0.286 4.813 4.527 0.000 0.000 0.344 22 F C 0.613 176.420 175.800 0.012 0.000 1.255 22 F CA -1.816 56.194 58.000 0.018 0.000 1.091 22 F CB -1.046 37.978 39.000 0.040 0.000 1.325 22 F HN 0.433 nan 8.300 nan 0.000 0.627 23 L N 6.249 127.561 121.223 0.149 0.000 2.410 23 L HA 0.190 4.530 4.340 0.000 0.000 0.273 23 L C -1.258 175.617 176.870 0.009 0.000 1.152 23 L CA -1.665 53.204 54.840 0.048 0.000 0.855 23 L CB -0.008 42.066 42.059 0.025 0.000 1.129 23 L HN 0.385 nan 8.230 nan 0.000 0.463 24 P HA 0.008 nan 4.420 nan 0.000 0.271 24 P C -0.726 176.607 177.300 0.055 0.000 1.233 24 P CA -0.564 62.518 63.100 -0.029 0.000 0.789 24 P CB 0.971 32.548 31.700 -0.204 0.000 0.951 25 L N 1.646 122.932 121.223 0.105 0.000 2.328 25 L HA 0.235 4.575 4.340 0.000 0.000 0.280 25 L C 0.776 177.797 176.870 0.252 0.000 1.111 25 L CA -0.639 54.270 54.840 0.115 0.000 0.909 25 L CB -0.393 41.689 42.059 0.037 0.000 1.277 25 L HN 0.294 nan 8.230 nan 0.000 0.433 26 R N 2.795 123.443 120.500 0.246 0.000 2.484 26 R HA -0.076 4.264 4.340 0.000 0.000 0.293 26 R C 0.817 177.173 176.300 0.095 0.000 1.023 26 R CA 0.410 56.619 56.100 0.181 0.000 1.037 26 R CB 0.053 30.459 30.300 0.178 0.000 0.951 26 R HN 0.580 nan 8.270 nan 0.000 0.418 27 F N 3.903 123.756 119.950 -0.163 0.000 2.120 27 F HA -0.258 4.269 4.527 0.000 0.000 0.300 27 F C 1.024 176.741 175.800 -0.138 0.000 1.095 27 F CA 2.169 60.067 58.000 -0.171 0.000 1.249 27 F CB 0.043 38.903 39.000 -0.234 0.000 0.995 27 F HN 0.700 nan 8.300 nan 0.000 0.480 28 D N 0.775 121.151 120.400 -0.039 0.000 2.133 28 D HA -0.248 4.392 4.640 0.000 0.000 0.192 28 D C 2.131 178.340 176.300 -0.152 0.000 1.001 28 D CA 1.778 55.691 54.000 -0.144 0.000 0.844 28 D CB -0.761 40.014 40.800 -0.042 0.000 0.944 28 D HN 0.333 nan 8.370 nan 0.000 0.447 29 L N 0.461 121.639 121.223 -0.074 0.000 2.056 29 L HA -0.077 4.263 4.340 0.000 0.000 0.207 29 L C 2.119 178.934 176.870 -0.092 0.000 1.078 29 L CA 1.228 56.032 54.840 -0.061 0.000 0.749 29 L CB -0.682 41.369 42.059 -0.014 0.000 0.901 29 L HN 0.126 nan 8.230 nan 0.000 0.433 30 L N -2.660 118.499 121.223 -0.107 0.000 2.012 30 L HA -0.176 4.164 4.340 0.000 0.000 0.210 30 L C 2.304 179.053 176.870 -0.201 0.000 1.073 30 L CA 1.817 56.577 54.840 -0.132 0.000 0.748 30 L CB -1.502 40.495 42.059 -0.104 0.000 0.891 30 L HN 0.140 nan 8.230 nan 0.000 0.431 31 L N 0.161 121.198 121.223 -0.311 0.000 2.013 31 L HA -0.227 4.113 4.340 0.000 0.000 0.212 31 L C 2.531 179.272 176.870 -0.215 0.000 1.073 31 L CA 1.486 56.125 54.840 -0.335 0.000 0.753 31 L CB -1.093 40.673 42.059 -0.489 0.000 0.890 31 L HN 0.350 nan 8.230 nan 0.000 0.432 32 D N 0.016 120.311 120.400 -0.174 0.000 2.104 32 D HA -0.170 4.471 4.640 0.000 0.000 0.194 32 D C 2.330 178.567 176.300 -0.105 0.000 0.994 32 D CA 1.241 55.168 54.000 -0.122 0.000 0.830 32 D CB -0.276 40.468 40.800 -0.094 0.000 0.959 32 D HN 0.329 nan 8.370 nan 0.000 0.452 33 R N 0.311 120.749 120.500 -0.103 0.000 2.081 33 R HA -0.025 4.315 4.340 0.000 0.000 0.235 33 R C 2.603 178.841 176.300 -0.103 0.000 1.131 33 R CA 0.589 56.634 56.100 -0.091 0.000 0.960 33 R CB -0.526 29.733 30.300 -0.068 0.000 0.856 33 R HN 0.257 nan 8.270 nan 0.000 0.436 34 L N 0.826 121.971 121.223 -0.130 0.000 2.191 34 L HA -0.189 4.151 4.340 0.000 0.000 0.212 34 L C 2.111 178.927 176.870 -0.089 0.000 1.103 34 L CA 1.245 55.998 54.840 -0.144 0.000 0.769 34 L CB -0.360 41.594 42.059 -0.176 0.000 0.908 34 L HN 0.219 nan 8.230 nan 0.000 0.438 35 Q N -0.612 119.136 119.800 -0.087 0.000 2.472 35 Q HA -0.012 4.328 4.340 0.000 0.000 0.208 35 Q C 0.992 176.956 176.000 -0.060 0.000 0.958 35 Q CA -0.001 55.771 55.803 -0.052 0.000 0.932 35 Q CB 0.172 28.866 28.738 -0.073 0.000 1.007 35 Q HN 0.244 nan 8.270 nan 0.000 0.508 36 S N 0.285 115.932 115.700 -0.088 0.000 2.546 36 S HA -0.036 4.434 4.470 0.000 0.000 0.290 36 S C 1.279 175.683 174.600 -0.327 0.000 1.262 36 S CA 0.232 58.342 58.200 -0.150 0.000 1.083 36 S CB 0.660 63.781 63.200 -0.132 0.000 0.859 36 S HN 0.476 nan 8.310 nan 0.000 0.495 37 T N 2.330 116.616 114.554 -0.447 0.000 2.814 37 T HA -0.086 4.264 4.350 0.000 0.000 0.254 37 T C 1.332 175.791 174.700 -0.401 0.000 1.037 37 T CA 0.853 62.495 62.100 -0.764 0.000 1.143 37 T CB -0.505 68.113 68.868 -0.415 0.000 0.866 37 T HN 0.731 nan 8.240 nan 0.000 0.431 38 N N 2.671 121.264 118.700 -0.179 0.000 2.413 38 N HA 0.095 4.835 4.740 0.000 0.000 0.207 38 N C 1.553 177.080 175.510 0.029 0.000 1.206 38 N CA -0.088 52.940 53.050 -0.037 0.000 0.832 38 N CB -0.809 37.660 38.487 -0.030 0.000 1.037 38 N HN 0.443 nan 8.380 nan 0.000 0.467 39 L N 0.190 121.396 121.223 -0.028 0.000 2.318 39 L HA -0.399 3.941 4.340 0.000 0.000 0.227 39 L C 2.419 179.208 176.870 -0.136 0.000 1.110 39 L CA 2.194 56.977 54.840 -0.095 0.000 0.840 39 L CB -1.096 40.975 42.059 0.020 0.000 0.913 39 L HN 0.392 nan 8.230 nan 0.000 0.451 40 H N -0.008 119.192 119.070 0.216 0.000 2.400 40 H HA -0.241 4.315 4.556 0.000 0.000 0.279 40 H C 1.457 176.881 175.328 0.159 0.000 1.139 40 H CA 1.914 58.200 56.048 0.397 0.000 1.126 40 H CB -0.356 29.619 29.762 0.354 0.000 1.352 40 H HN 0.432 nan 8.280 nan 0.000 0.468 41 G N -1.690 107.188 108.800 0.129 0.000 4.250 41 G HA2 0.465 4.425 3.960 0.000 0.000 0.295 41 G HA3 0.465 4.425 3.960 0.000 0.000 0.295 41 G C 0.479 175.345 174.900 -0.056 0.000 1.081 41 G CA 0.351 45.463 45.100 0.021 0.000 0.854 41 G HN 0.304 nan 8.290 nan 0.000 0.524 42 V N -0.138 119.644 119.914 -0.220 0.000 3.949 42 V HA 0.276 4.396 4.120 0.000 0.000 0.195 42 V C 1.690 177.698 176.094 -0.144 0.000 1.114 42 V CA 0.113 62.306 62.300 -0.179 0.000 1.384 42 V CB -0.564 31.138 31.823 -0.202 0.000 1.685 42 V HN 0.162 nan 8.190 nan 0.000 0.492 43 L N 2.214 123.225 121.223 -0.353 0.000 2.855 43 L HA 0.258 4.598 4.340 0.000 0.000 0.245 43 L C -0.550 176.334 176.870 0.023 0.000 1.276 43 L CA 0.279 55.075 54.840 -0.072 0.000 1.118 43 L CB -1.224 40.821 42.059 -0.024 0.000 1.444 43 L HN 0.684 nan 8.230 nan 0.000 0.440 44 Y N -3.818 116.164 120.300 -0.531 0.000 2.860 44 Y HA 0.362 4.912 4.550 0.000 0.000 0.389 44 Y C -0.912 174.393 175.900 -0.992 0.000 1.143 44 Y CA -1.821 55.609 58.100 -1.117 0.000 1.330 44 Y CB 0.344 38.566 38.460 -0.397 0.000 1.481 44 Y HN -0.152 nan 8.280 nan 0.000 0.511 45 R N 1.890 122.026 120.500 -0.607 0.000 2.332 45 R HA 0.838 5.178 4.340 0.000 0.000 0.306 45 R C -0.940 175.248 176.300 -0.187 0.000 1.117 45 R CA -0.239 55.744 56.100 -0.195 0.000 1.108 45 R CB 0.764 31.031 30.300 -0.054 0.000 1.126 45 R HN 0.975 nan 8.270 nan 0.000 0.548 46 A N 5.196 127.931 122.820 -0.142 0.000 2.302 46 A HA 0.363 4.683 4.320 0.000 0.000 0.295 46 A C -0.552 176.804 177.584 -0.380 0.000 1.235 46 A CA -0.460 51.296 52.037 -0.470 0.000 0.876 46 A CB 0.117 18.496 19.000 -1.036 0.000 1.133 46 A HN 0.691 nan 8.150 nan 0.000 0.533 47 L N 2.978 123.978 121.223 -0.372 0.000 2.260 47 L HA 0.391 4.731 4.340 0.000 0.000 0.289 47 L C -0.121 176.694 176.870 -0.092 0.000 1.057 47 L CA -0.152 54.586 54.840 -0.169 0.000 0.811 47 L CB 1.098 43.111 42.059 -0.077 0.000 1.184 47 L HN 0.798 nan 8.230 nan 0.000 0.429 48 D N 1.724 122.162 120.400 0.064 0.000 2.575 48 D HA 0.329 4.969 4.640 0.000 0.000 0.236 48 D C -1.249 175.174 176.300 0.206 0.000 1.075 48 D CA -0.486 53.634 54.000 0.199 0.000 0.860 48 D CB 1.669 42.669 40.800 0.333 0.000 1.475 48 D HN 0.260 nan 8.370 nan 0.000 0.474 49 F N 4.213 124.219 119.950 0.093 0.000 2.344 49 F HA 0.325 4.852 4.527 0.000 0.000 0.344 49 F C 1.251 177.099 175.800 0.080 0.000 1.140 49 F CA -0.520 57.521 58.000 0.069 0.000 1.256 49 F CB -0.058 38.969 39.000 0.045 0.000 1.573 49 F HN 0.390 nan 8.300 nan 0.000 0.547 50 N N 3.871 122.449 118.700 -0.204 0.000 2.091 50 N HA -0.174 4.566 4.740 0.000 0.000 0.193 50 N C -0.859 174.532 175.510 -0.198 0.000 1.021 50 N CA 1.899 54.863 53.050 -0.143 0.000 0.862 50 N CB -0.673 37.780 38.487 -0.056 0.000 1.018 50 N HN 0.349 nan 8.380 nan 0.000 0.429 51 P HA -0.136 nan 4.420 nan 0.000 0.218 51 P C 1.050 178.339 177.300 -0.019 0.000 1.154 51 P CA 1.349 64.314 63.100 -0.224 0.000 0.872 51 P CB -0.102 31.434 31.700 -0.275 0.000 0.790 52 V N -5.103 114.871 119.914 0.101 0.000 3.039 52 V HA 0.291 4.411 4.120 0.000 0.000 0.369 52 V C 0.085 176.258 176.094 0.131 0.000 1.344 52 V CA -0.225 62.168 62.300 0.154 0.000 1.270 52 V CB -1.222 30.736 31.823 0.224 0.000 1.284 52 V HN 0.131 nan 8.190 nan 0.000 0.518 53 D N 0.953 121.406 120.400 0.090 0.000 2.882 53 D HA -0.154 4.486 4.640 0.000 0.000 0.229 53 D C 0.277 176.642 176.300 0.109 0.000 1.167 53 D CA 0.838 54.889 54.000 0.084 0.000 0.759 53 D CB -0.051 40.787 40.800 0.062 0.000 1.088 53 D HN 0.554 nan 8.370 nan 0.000 0.425 54 R N 0.092 120.690 120.500 0.163 0.000 2.778 54 R HA 0.459 4.799 4.340 0.000 0.000 0.277 54 R C 0.079 176.516 176.300 0.227 0.000 0.977 54 R CA -0.627 55.588 56.100 0.192 0.000 0.950 54 R CB 1.686 32.119 30.300 0.221 0.000 1.165 54 R HN -0.041 nan 8.270 nan 0.000 0.474 55 S N 0.307 116.126 115.700 0.200 0.000 2.572 55 S HA 0.369 4.839 4.470 0.000 0.000 0.279 55 S C 0.622 175.345 174.600 0.206 0.000 1.341 55 S CA 0.229 58.560 58.200 0.217 0.000 1.043 55 S CB 0.751 64.066 63.200 0.192 0.000 0.887 55 S HN 0.618 nan 8.310 nan 0.000 0.516 56 A N 3.208 126.136 122.820 0.180 0.000 3.802 56 A HA 0.383 4.703 4.320 0.000 0.000 0.184 56 A C 1.766 179.374 177.584 0.041 0.000 1.893 56 A CA 0.815 52.915 52.037 0.106 0.000 1.357 56 A CB -1.027 18.043 19.000 0.118 0.000 1.178 56 A HN 0.969 nan 8.150 nan 0.000 0.371 57 T N -4.879 109.665 114.554 -0.017 0.000 3.174 57 T HA 0.408 4.758 4.350 0.000 0.000 0.252 57 T C -0.063 174.617 174.700 -0.034 0.000 0.984 57 T CA 0.677 62.750 62.100 -0.045 0.000 1.113 57 T CB 0.001 68.791 68.868 -0.130 0.000 1.088 57 T HN 1.039 nan 8.240 nan 0.000 0.442 58 V N 1.714 121.575 119.914 -0.088 0.000 2.655 58 V HA 0.559 4.679 4.120 0.000 0.000 0.301 58 V C -1.882 174.066 176.094 -0.245 0.000 1.082 58 V CA -1.269 60.972 62.300 -0.098 0.000 0.899 58 V CB 1.634 33.482 31.823 0.042 0.000 1.014 58 V HN 0.480 nan 8.190 nan 0.000 0.429 59 I N 6.065 126.424 120.570 -0.351 0.000 2.291 59 I HA 0.396 4.566 4.170 0.000 0.000 0.292 59 I C 0.540 176.455 176.117 -0.337 0.000 1.064 59 I CA 0.314 61.277 61.300 -0.561 0.000 1.269 59 I CB 1.096 38.505 38.000 -0.986 0.000 1.418 59 I HN 0.539 nan 8.210 nan 0.000 0.485 60 Q N 5.506 125.130 119.800 -0.294 0.000 2.553 60 Q HA 0.166 4.506 4.340 0.000 0.000 0.221 60 Q C 0.161 176.042 176.000 -0.198 0.000 1.219 60 Q CA -0.454 55.231 55.803 -0.198 0.000 0.955 60 Q CB 0.239 28.875 28.738 -0.169 0.000 1.399 60 Q HN 0.763 nan 8.270 nan 0.000 0.551 61 T N -0.356 114.163 114.554 -0.058 0.000 2.923 61 T HA -0.029 4.321 4.350 0.000 0.000 0.304 61 T C -0.013 174.869 174.700 0.303 0.000 1.044 61 T CA 0.361 62.526 62.100 0.108 0.000 1.141 61 T CB 0.434 69.418 68.868 0.194 0.000 1.023 61 T HN 0.345 nan 8.240 nan 0.000 0.533 62 Y N 2.487 122.889 120.300 0.169 0.000 2.833 62 Y HA 0.555 5.105 4.550 0.000 0.000 0.323 62 Y C -2.058 173.897 175.900 0.092 0.000 1.220 62 Y CA -3.292 54.867 58.100 0.099 0.000 1.174 62 Y CB 1.914 40.428 38.460 0.090 0.000 1.404 62 Y HN 0.458 nan 8.280 nan 0.000 0.607 63 P HA 0.218 nan 4.420 nan 0.000 0.304 63 P C -2.677 174.682 177.300 0.098 0.000 1.366 63 P CA -1.775 61.396 63.100 0.118 0.000 0.859 63 P CB 1.726 33.452 31.700 0.044 0.000 0.961 64 P HA 0.313 nan 4.420 nan 0.000 0.277 64 P C 0.555 178.006 177.300 0.252 0.000 1.276 64 P CA -0.277 62.919 63.100 0.160 0.000 0.788 64 P CB 0.920 32.705 31.700 0.142 0.000 1.114 65 L N -3.055 118.330 121.223 0.270 0.000 2.208 65 L HA -0.219 4.121 4.340 0.000 0.000 0.478 65 L C 1.494 178.467 176.870 0.172 0.000 0.724 65 L CA 1.106 56.077 54.840 0.219 0.000 2.975 65 L CB -1.854 40.386 42.059 0.302 0.000 0.837 65 L HN 0.299 nan 8.230 nan 0.000 0.703 66 N N 0.735 119.531 118.700 0.160 0.000 2.661 66 N HA -0.049 4.691 4.740 0.000 0.000 0.196 66 N C 1.038 176.597 175.510 0.081 0.000 1.129 66 N CA 0.881 53.999 53.050 0.112 0.000 0.938 66 N CB -0.047 38.499 38.487 0.099 0.000 0.966 66 N HN 0.564 nan 8.380 nan 0.000 0.450 67 A N -0.715 122.158 122.820 0.087 0.000 2.708 67 A HA 0.122 4.442 4.320 0.000 0.000 0.293 67 A C -0.763 176.923 177.584 0.170 0.000 1.303 67 A CA -0.506 51.583 52.037 0.087 0.000 0.949 67 A CB -0.105 18.913 19.000 0.029 0.000 1.121 67 A HN 0.263 nan 8.150 nan 0.000 0.542 68 W N 0.778 122.041 121.300 -0.063 0.000 2.361 68 W HA 0.515 5.175 4.660 0.000 0.000 0.309 68 W C 0.809 177.289 176.519 -0.065 0.000 1.122 68 W CA -0.022 57.289 57.345 -0.058 0.000 1.208 68 W CB 1.430 30.864 29.460 -0.044 0.000 1.246 68 W HN 0.612 nan 8.180 nan 0.000 0.490 69 S N 2.281 117.848 115.700 -0.221 0.000 2.835 69 S HA -0.094 4.376 4.470 0.000 0.000 0.085 69 S C -1.423 173.182 174.600 0.009 0.000 0.622 69 S CA 0.484 58.580 58.200 -0.174 0.000 1.515 69 S CB -0.671 62.477 63.200 -0.088 0.000 0.919 69 S HN 0.259 nan 8.310 nan 0.000 0.278 70 P HA -0.136 nan 4.420 nan 0.000 0.215 70 P C 0.953 178.442 177.300 0.315 0.000 1.163 70 P CA 2.582 65.823 63.100 0.235 0.000 0.894 70 P CB -0.824 31.075 31.700 0.331 0.000 0.791 71 H N -5.274 113.891 119.070 0.158 0.000 2.665 71 H HA 0.321 4.877 4.556 0.000 0.000 0.248 71 H C 1.558 177.020 175.328 0.223 0.000 1.175 71 H CA -0.474 55.682 56.048 0.181 0.000 0.952 71 H CB -1.153 28.686 29.762 0.128 0.000 1.883 71 H HN 0.006 nan 8.280 nan 0.000 0.623 72 H N 1.624 120.647 119.070 -0.077 0.000 2.407 72 H HA -0.261 4.295 4.556 0.000 0.000 0.293 72 H C 2.050 177.355 175.328 -0.038 0.000 1.122 72 H CA 2.631 58.501 56.048 -0.298 0.000 1.232 72 H CB -0.011 29.245 29.762 -0.845 0.000 1.361 72 H HN 0.611 nan 8.280 nan 0.000 0.498 73 A N -0.592 122.170 122.820 -0.098 0.000 1.968 73 A HA -0.043 4.277 4.320 0.000 0.000 0.217 73 A C 2.240 179.823 177.584 -0.000 0.000 1.169 73 A CA 0.877 52.844 52.037 -0.117 0.000 0.638 73 A CB -1.032 17.962 19.000 -0.011 0.000 0.812 73 A HN 0.503 nan 8.150 nan 0.000 0.446 74 F N 0.837 120.803 119.950 0.028 0.000 2.115 74 F HA -0.235 4.292 4.527 0.000 0.000 0.300 74 F C 1.986 177.821 175.800 0.058 0.000 1.092 74 F CA 1.874 59.927 58.000 0.088 0.000 1.245 74 F CB -0.193 38.956 39.000 0.248 0.000 0.995 74 F HN 0.194 nan 8.300 nan 0.000 0.481 75 I N -0.790 119.950 120.570 0.282 0.000 2.454 75 I HA -0.214 3.956 4.170 0.000 0.000 0.254 75 I C 0.408 176.584 176.117 0.098 0.000 1.156 75 I CA 0.570 61.996 61.300 0.210 0.000 1.433 75 I CB -0.597 37.591 38.000 0.313 0.000 1.082 75 I HN 0.075 nan 8.210 nan 0.000 0.432 76 E N 1.402 121.618 120.200 0.027 0.000 8.336 76 E HA -0.215 4.135 4.350 0.000 0.000 0.467 76 E C -0.398 176.248 176.600 0.077 0.000 0.951 76 E CA 0.525 56.929 56.400 0.008 0.000 1.654 76 E CB -0.659 29.045 29.700 0.007 0.000 0.995 76 E HN 0.336 nan 8.360 nan 0.000 0.341 77 N N 1.932 120.708 118.700 0.127 0.000 2.520 77 N HA 0.226 4.966 4.740 0.000 0.000 0.273 77 N C -2.241 173.376 175.510 0.178 0.000 1.155 77 N CA -0.937 52.258 53.050 0.241 0.000 0.967 77 N CB 0.564 39.243 38.487 0.320 0.000 1.092 77 N HN 0.049 nan 8.380 nan 0.000 0.457 78 P HA 0.060 nan 4.420 nan 0.000 0.274 78 P C 1.107 178.250 177.300 -0.261 0.000 1.237 78 P CA -0.465 62.627 63.100 -0.012 0.000 0.793 78 P CB 0.823 32.636 31.700 0.189 0.000 0.977 79 L N 0.637 121.607 121.223 -0.421 0.000 2.189 79 L HA -0.077 4.263 4.340 0.000 0.000 0.214 79 L C 0.616 177.327 176.870 -0.265 0.000 1.097 79 L CA 2.097 56.583 54.840 -0.591 0.000 0.764 79 L CB -0.432 41.440 42.059 -0.311 0.000 0.900 79 L HN 0.426 nan 8.230 nan 0.000 0.436 80 D N -5.008 115.331 120.400 -0.101 0.000 2.653 80 D HA -0.047 4.593 4.640 0.000 0.000 0.258 80 D C -0.124 176.147 176.300 -0.048 0.000 1.252 80 D CA -0.512 53.485 54.000 -0.004 0.000 0.777 80 D CB 0.586 41.382 40.800 -0.006 0.000 1.339 80 D HN -0.158 nan 8.370 nan 0.000 0.422 81 Y N 2.304 122.624 120.300 0.033 0.000 2.128 81 Y HA -0.109 4.441 4.550 0.000 0.000 0.284 81 Y C 2.368 178.279 175.900 0.018 0.000 1.154 81 Y CA 2.038 60.115 58.100 -0.037 0.000 1.149 81 Y CB 0.006 38.379 38.460 -0.146 0.000 0.976 81 Y HN 0.394 nan 8.280 nan 0.000 0.505 82 R N 0.402 120.574 120.500 -0.547 0.000 2.103 82 R HA -0.192 4.148 4.340 0.000 0.000 0.242 82 R C 1.995 178.173 176.300 -0.203 0.000 1.142 82 R CA 1.923 57.827 56.100 -0.326 0.000 0.960 82 R CB -0.370 29.882 30.300 -0.080 0.000 0.858 82 R HN 0.533 nan 8.270 nan 0.000 0.439 83 D N -0.897 119.426 120.400 -0.129 0.000 2.117 83 D HA -0.225 4.415 4.640 0.000 0.000 0.198 83 D C 1.625 177.974 176.300 0.081 0.000 0.982 83 D CA 1.051 55.036 54.000 -0.025 0.000 0.828 83 D CB -0.279 40.504 40.800 -0.029 0.000 0.967 83 D HN 0.380 nan 8.370 nan 0.000 0.464 84 W N 2.260 123.445 121.300 -0.191 0.000 2.374 84 W HA -0.210 4.450 4.660 0.000 0.000 0.288 84 W C 2.179 178.651 176.519 -0.078 0.000 1.218 84 W CA 1.823 59.116 57.345 -0.086 0.000 1.245 84 W CB -0.049 29.352 29.460 -0.099 0.000 1.126 84 W HN -0.105 nan 8.180 nan 0.000 0.545 85 T N 0.470 115.140 114.554 0.193 0.000 2.544 85 T HA -0.349 4.001 4.350 0.000 0.000 0.264 85 T C 1.221 176.022 174.700 0.168 0.000 1.096 85 T CA 1.853 64.091 62.100 0.230 0.000 1.181 85 T CB -0.843 68.081 68.868 0.093 0.000 0.864 85 T HN 0.095 nan 8.240 nan 0.000 0.415 86 E N 0.397 120.662 120.200 0.108 0.000 2.072 86 E HA -0.191 4.159 4.350 0.000 0.000 0.218 86 E C 1.723 178.331 176.600 0.013 0.000 1.051 86 E CA 1.620 58.078 56.400 0.097 0.000 0.880 86 E CB -0.621 29.128 29.700 0.082 0.000 0.783 86 E HN 0.386 nan 8.360 nan 0.000 0.473 87 F N 0.822 120.714 119.950 -0.097 0.000 2.045 87 F HA -0.261 4.266 4.527 0.000 0.000 0.297 87 F C 1.961 177.613 175.800 -0.246 0.000 1.114 87 F CA 1.616 59.501 58.000 -0.192 0.000 1.207 87 F CB -0.397 38.454 39.000 -0.248 0.000 0.964 87 F HN 0.075 nan 8.300 nan 0.000 0.486 88 I N -0.528 119.505 120.570 -0.896 0.000 2.439 88 I HA -0.229 3.941 4.170 0.000 0.000 0.251 88 I C 2.378 178.313 176.117 -0.304 0.000 1.139 88 I CA 1.389 62.216 61.300 -0.788 0.000 1.438 88 I CB -1.888 35.549 38.000 -0.938 0.000 1.085 88 I HN 0.258 nan 8.210 nan 0.000 0.427 89 H N 2.511 121.469 119.070 -0.186 0.000 2.292 89 H HA -0.238 4.318 4.556 0.000 0.000 0.292 89 H C 1.754 177.018 175.328 -0.107 0.000 1.100 89 H CA 2.295 58.285 56.048 -0.096 0.000 1.238 89 H CB -0.251 29.493 29.762 -0.031 0.000 1.355 89 H HN 0.312 nan 8.280 nan 0.000 0.484 90 D N -0.290 119.791 120.400 -0.532 0.000 2.108 90 D HA -0.178 4.462 4.640 0.000 0.000 0.190 90 D C 2.467 178.602 176.300 -0.276 0.000 0.995 90 D CA 1.620 55.367 54.000 -0.421 0.000 0.834 90 D CB -0.322 40.330 40.800 -0.245 0.000 0.967 90 D HN 0.216 nan 8.370 nan 0.000 0.446 91 R N 0.972 121.282 120.500 -0.317 0.000 2.081 91 R HA -0.018 4.322 4.340 0.000 0.000 0.235 91 R C 2.114 178.494 176.300 0.133 0.000 1.131 91 R CA 1.539 57.563 56.100 -0.127 0.000 0.960 91 R CB -0.813 29.225 30.300 -0.437 0.000 0.856 91 R HN 0.142 nan 8.270 nan 0.000 0.436 92 A N 0.326 123.156 122.820 0.017 0.000 1.908 92 A HA -0.162 4.158 4.320 0.000 0.000 0.218 92 A C 2.035 179.593 177.584 -0.044 0.000 1.181 92 A CA 1.501 53.509 52.037 -0.049 0.000 0.627 92 A CB -0.741 18.180 19.000 -0.131 0.000 0.818 92 A HN 0.336 nan 8.150 nan 0.000 0.445 93 L N -0.353 120.828 121.223 -0.071 0.000 2.081 93 L HA -0.164 4.176 4.340 0.000 0.000 0.212 93 L C 2.735 179.592 176.870 -0.021 0.000 1.080 93 L CA 2.058 56.853 54.840 -0.074 0.000 0.754 93 L CB -0.595 41.353 42.059 -0.184 0.000 0.893 93 L HN 0.383 nan 8.230 nan 0.000 0.433 94 A N -1.537 121.319 122.820 0.059 0.000 1.930 94 A HA -0.225 4.095 4.320 0.000 0.000 0.217 94 A C 2.206 179.877 177.584 0.144 0.000 1.175 94 A CA 1.552 53.682 52.037 0.156 0.000 0.627 94 A CB -0.935 18.239 19.000 0.291 0.000 0.815 94 A HN 0.519 nan 8.150 nan 0.000 0.443 95 F N -0.054 119.791 119.950 -0.175 0.000 2.163 95 F HA -0.061 4.466 4.527 0.000 0.000 0.297 95 F C 2.173 177.731 175.800 -0.404 0.000 1.094 95 F CA 1.582 59.223 58.000 -0.598 0.000 1.290 95 F CB -0.345 38.152 39.000 -0.837 0.000 1.017 95 F HN 0.054 nan 8.300 nan 0.000 0.483 96 V N 0.807 120.521 119.914 -0.333 0.000 2.324 96 V HA -0.237 3.884 4.120 0.000 0.000 0.250 96 V C 2.413 178.316 176.094 -0.319 0.000 1.060 96 V CA 2.494 64.563 62.300 -0.386 0.000 1.042 96 V CB -1.322 30.357 31.823 -0.240 0.000 0.650 96 V HN 0.523 nan 8.190 nan 0.000 0.450 97 G N -0.780 107.898 108.800 -0.204 0.000 2.418 97 G HA2 -0.208 3.752 3.960 0.000 0.000 0.217 97 G HA3 -0.208 3.752 3.960 0.000 0.000 0.217 97 G C 1.641 176.457 174.900 -0.141 0.000 1.158 97 G CA 1.291 46.311 45.100 -0.133 0.000 0.771 97 G HN 0.493 nan 8.290 nan 0.000 0.545 98 V N 1.276 121.074 119.914 -0.193 0.000 2.255 98 V HA -0.208 3.912 4.120 0.000 0.000 0.247 98 V C 2.921 178.912 176.094 -0.172 0.000 1.051 98 V CA 1.703 63.904 62.300 -0.164 0.000 1.018 98 V CB -0.709 31.012 31.823 -0.171 0.000 0.641 98 V HN 0.351 nan 8.190 nan 0.000 0.445 99 L N 0.765 121.784 121.223 -0.340 0.000 2.043 99 L HA -0.227 4.113 4.340 0.000 0.000 0.212 99 L C 2.900 179.791 176.870 0.034 0.000 1.075 99 L CA 2.314 57.030 54.840 -0.208 0.000 0.752 99 L CB -1.278 40.535 42.059 -0.410 0.000 0.891 99 L HN 0.656 nan 8.230 nan 0.000 0.432 100 T N -3.152 111.367 114.554 -0.057 0.000 2.777 100 T HA -0.267 4.083 4.350 0.000 0.000 0.266 100 T C 1.882 176.600 174.700 0.030 0.000 1.040 100 T CA 1.127 63.232 62.100 0.008 0.000 1.141 100 T CB -0.341 68.488 68.868 -0.065 0.000 0.868 100 T HN 0.269 nan 8.240 nan 0.000 0.444 101 Q N 1.510 121.303 119.800 -0.011 0.000 2.047 101 Q HA -0.272 4.068 4.340 0.000 0.000 0.211 101 Q C 2.510 178.494 176.000 -0.027 0.000 1.005 101 Q CA 2.288 58.080 55.803 -0.017 0.000 0.866 101 Q CB -0.448 28.275 28.738 -0.025 0.000 0.938 101 Q HN 0.485 nan 8.270 nan 0.000 0.414 102 R N -1.098 119.388 120.500 -0.023 0.000 2.090 102 R HA -0.001 4.339 4.340 0.000 0.000 0.228 102 R C 0.118 176.269 176.300 -0.249 0.000 1.110 102 R CA 1.046 57.062 56.100 -0.139 0.000 0.973 102 R CB 0.049 30.269 30.300 -0.134 0.000 0.869 102 R HN 0.275 nan 8.270 nan 0.000 0.440 103 Y N 1.081 121.398 120.300 0.028 0.000 2.376 103 Y HA 0.349 4.899 4.550 0.000 0.000 0.326 103 Y C -2.117 173.856 175.900 0.121 0.000 0.970 103 Y CA -3.089 55.048 58.100 0.061 0.000 1.248 103 Y CB 1.754 40.292 38.460 0.131 0.000 1.117 103 Y HN 0.034 nan 8.280 nan 0.000 0.476 104 P HA -0.031 nan 4.420 nan 0.000 0.269 104 P C 0.878 178.286 177.300 0.180 0.000 1.252 104 P CA 0.009 63.188 63.100 0.132 0.000 0.780 104 P CB 1.505 33.231 31.700 0.043 0.000 0.829 105 L N 5.505 126.865 121.223 0.229 0.000 2.040 105 L HA -0.331 4.009 4.340 0.000 0.000 0.228 105 L C 2.439 179.376 176.870 0.111 0.000 1.092 105 L CA 3.347 58.327 54.840 0.232 0.000 0.805 105 L CB -1.920 40.190 42.059 0.085 0.000 0.905 105 L HN 0.485 nan 8.230 nan 0.000 0.443 106 T N -3.598 110.985 114.554 0.048 0.000 2.718 106 T HA -0.343 4.007 4.350 0.000 0.000 0.266 106 T C 1.712 176.405 174.700 -0.012 0.000 1.033 106 T CA 1.928 64.035 62.100 0.010 0.000 1.151 106 T CB -0.521 68.349 68.868 0.002 0.000 0.853 106 T HN 0.433 nan 8.240 nan 0.000 0.466 107 Q N 1.294 121.086 119.800 -0.014 0.000 2.297 107 Q HA 0.260 4.600 4.340 0.000 0.000 0.203 107 Q C 1.655 177.580 176.000 -0.125 0.000 0.931 107 Q CA 0.986 56.755 55.803 -0.057 0.000 0.885 107 Q CB -0.108 28.598 28.738 -0.054 0.000 0.991 107 Q HN 0.755 nan 8.270 nan 0.000 0.498 108 N N -0.438 118.188 118.700 -0.125 0.000 2.236 108 N HA 0.214 4.954 4.740 0.000 0.000 0.196 108 N C 0.959 176.287 175.510 -0.303 0.000 1.114 108 N CA 0.511 53.363 53.050 -0.330 0.000 0.859 108 N CB 0.424 38.559 38.487 -0.586 0.000 0.982 108 N HN 0.157 nan 8.380 nan 0.000 0.493 109 A N 0.631 123.408 122.820 -0.072 0.000 2.032 109 A HA -0.189 4.131 4.320 0.000 0.000 0.221 109 A C 2.035 179.578 177.584 -0.069 0.000 1.165 109 A CA 1.352 53.397 52.037 0.015 0.000 0.645 109 A CB -0.104 18.898 19.000 0.004 0.000 0.807 109 A HN 0.187 nan 8.150 nan 0.000 0.453 110 Q N -0.661 119.032 119.800 -0.179 0.000 2.402 110 Q HA 0.089 4.429 4.340 0.000 0.000 0.206 110 Q C 0.227 175.901 176.000 -0.542 0.000 0.919 110 Q CA 0.156 55.813 55.803 -0.243 0.000 0.923 110 Q CB 0.164 28.838 28.738 -0.107 0.000 1.048 110 Q HN 0.630 nan 8.270 nan 0.000 0.515 111 R N 0.684 120.811 120.500 -0.621 0.000 2.370 111 R HA 0.102 4.442 4.340 0.000 0.000 0.309 111 R C -0.562 175.360 176.300 -0.630 0.000 1.059 111 R CA -0.048 55.611 56.100 -0.734 0.000 0.981 111 R CB 0.204 29.802 30.300 -1.169 0.000 0.972 111 R HN 0.029 nan 8.270 nan 0.000 0.437 112 Y N 0.773 121.223 120.300 0.251 0.000 2.330 112 Y HA 0.070 4.620 4.550 0.000 0.000 0.341 112 Y C 1.149 177.142 175.900 0.156 0.000 1.278 112 Y CA 0.171 58.370 58.100 0.165 0.000 1.453 112 Y CB 0.789 39.287 38.460 0.064 0.000 1.342 112 Y HN 0.462 nan 8.280 nan 0.000 0.590 113 T N 1.347 115.968 114.554 0.112 0.000 2.888 113 T HA 0.154 4.504 4.350 0.000 0.000 0.284 113 T C -0.413 174.292 174.700 0.008 0.000 1.017 113 T CA -1.137 60.988 62.100 0.043 0.000 1.022 113 T CB 0.945 69.836 68.868 0.038 0.000 1.013 113 T HN 0.445 nan 8.240 nan 0.000 0.465 114 N N 2.604 121.275 118.700 -0.048 0.000 2.405 114 N HA 0.149 4.889 4.740 0.000 0.000 0.260 114 N C -1.862 173.537 175.510 -0.186 0.000 1.152 114 N CA -2.057 50.889 53.050 -0.173 0.000 0.948 114 N CB 1.219 39.538 38.487 -0.279 0.000 1.111 114 N HN 0.176 nan 8.380 nan 0.000 0.485 115 P HA -0.083 nan 4.420 nan 0.000 0.216 115 P C 1.472 178.697 177.300 -0.125 0.000 1.153 115 P CA 1.066 64.089 63.100 -0.128 0.000 0.848 115 P CB 0.359 32.003 31.700 -0.093 0.000 0.787 116 L N -1.190 119.946 121.223 -0.144 0.000 2.005 116 L HA -0.122 4.218 4.340 0.000 0.000 0.207 116 L C 2.418 179.015 176.870 -0.456 0.000 1.072 116 L CA 1.303 56.057 54.840 -0.144 0.000 0.744 116 L CB -1.600 40.466 42.059 0.011 0.000 0.895 116 L HN -0.164 nan 8.230 nan 0.000 0.433 117 V N 0.392 119.960 119.914 -0.577 0.000 2.278 117 V HA -0.341 3.779 4.120 0.000 0.000 0.251 117 V C 2.550 178.362 176.094 -0.471 0.000 1.062 117 V CA 2.023 63.864 62.300 -0.766 0.000 1.038 117 V CB -0.641 30.949 31.823 -0.388 0.000 0.646 117 V HN 0.298 nan 8.190 nan 0.000 0.447 118 L N 1.123 122.206 121.223 -0.234 0.000 1.990 118 L HA -0.147 4.193 4.340 0.000 0.000 0.213 118 L C 2.469 179.308 176.870 -0.050 0.000 1.072 118 L CA 2.571 57.363 54.840 -0.081 0.000 0.755 118 L CB -1.329 40.714 42.059 -0.027 0.000 0.889 118 L HN 0.326 nan 8.230 nan 0.000 0.432 119 G N -1.316 107.421 108.800 -0.104 0.000 2.529 119 G HA2 -0.375 3.585 3.960 0.000 0.000 0.219 119 G HA3 -0.375 3.585 3.960 0.000 0.000 0.219 119 G C 1.611 176.453 174.900 -0.096 0.000 1.177 119 G CA 1.313 46.379 45.100 -0.057 0.000 0.773 119 G HN 0.683 nan 8.290 nan 0.000 0.573 120 A N 1.210 123.857 122.820 -0.289 0.000 1.873 120 A HA 0.136 4.456 4.320 0.000 0.000 0.218 120 A C 2.898 180.313 177.584 -0.280 0.000 1.193 120 A CA 2.884 54.631 52.037 -0.484 0.000 0.629 120 A CB -1.085 17.085 19.000 -1.384 0.000 0.826 120 A HN 1.048 nan 8.150 nan 0.000 0.447 121 A N -1.398 121.306 122.820 -0.193 0.000 1.883 121 A HA -0.110 4.210 4.320 0.000 0.000 0.217 121 A C 2.082 179.793 177.584 0.212 0.000 1.186 121 A CA 1.904 54.052 52.037 0.185 0.000 0.624 121 A CB -0.778 18.391 19.000 0.282 0.000 0.822 121 A HN 0.618 nan 8.150 nan 0.000 0.444 122 F N 1.035 120.827 119.950 -0.263 0.000 2.186 122 F HA 0.026 4.553 4.527 0.000 0.000 0.299 122 F C 2.368 177.995 175.800 -0.288 0.000 1.090 122 F CA 0.853 58.448 58.000 -0.675 0.000 1.307 122 F CB -1.003 37.514 39.000 -0.804 0.000 1.019 122 F HN 0.198 nan 8.300 nan 0.000 0.489 123 G N -0.103 108.554 108.800 -0.238 0.000 2.433 123 G HA2 -0.254 3.706 3.960 0.000 0.000 0.216 123 G HA3 -0.254 3.706 3.960 0.000 0.000 0.216 123 G C 1.510 176.367 174.900 -0.073 0.000 1.186 123 G CA 0.949 45.932 45.100 -0.196 0.000 0.779 123 G HN 0.283 nan 8.290 nan 0.000 0.543 124 D N 0.163 120.610 120.400 0.078 0.000 2.104 124 D HA -0.138 4.502 4.640 0.000 0.000 0.194 124 D C 2.034 178.431 176.300 0.160 0.000 0.994 124 D CA 0.752 54.858 54.000 0.176 0.000 0.830 124 D CB -0.420 40.577 40.800 0.328 0.000 0.959 124 D HN 0.250 nan 8.370 nan 0.000 0.452 125 F N 1.717 121.671 119.950 0.006 0.000 2.043 125 F HA -0.263 4.264 4.527 0.000 0.000 0.297 125 F C 2.334 178.045 175.800 -0.148 0.000 1.118 125 F CA 1.437 59.428 58.000 -0.016 0.000 1.202 125 F CB -0.506 38.528 39.000 0.057 0.000 0.965 125 F HN -0.102 nan 8.300 nan 0.000 0.482 126 L N -0.136 120.998 121.223 -0.148 0.000 2.137 126 L HA -0.312 4.028 4.340 0.000 0.000 0.213 126 L C 1.074 177.744 176.870 -0.333 0.000 1.085 126 L CA 1.837 56.418 54.840 -0.431 0.000 0.760 126 L CB -0.788 40.764 42.059 -0.845 0.000 0.893 126 L HN 0.287 nan 8.230 nan 0.000 0.434 127 N N 0.041 118.622 118.700 -0.199 0.000 2.380 127 N HA 0.313 5.053 4.740 0.000 0.000 0.255 127 N C 0.447 175.967 175.510 0.016 0.000 1.158 127 N CA 0.466 53.441 53.050 -0.125 0.000 0.878 127 N CB 0.732 39.123 38.487 -0.160 0.000 1.138 127 N HN 0.237 nan 8.380 nan 0.000 0.509 128 A N 1.373 124.158 122.820 -0.058 0.000 2.596 128 A HA -0.268 4.052 4.320 0.000 0.000 0.300 128 A C 0.105 177.696 177.584 0.012 0.000 1.495 128 A CA 1.086 53.089 52.037 -0.057 0.000 0.769 128 A CB -1.347 17.617 19.000 -0.060 0.000 1.047 128 A HN 0.502 nan 8.150 nan 0.000 0.436 129 R N -0.350 120.187 120.500 0.062 0.000 2.892 129 R HA 0.636 4.976 4.340 0.000 0.000 0.265 129 R C 0.313 176.681 176.300 0.113 0.000 1.025 129 R CA -0.285 55.877 56.100 0.104 0.000 0.982 129 R CB 1.291 31.694 30.300 0.170 0.000 1.185 129 R HN 0.420 nan 8.270 nan 0.000 0.484 130 S N 0.906 116.644 115.700 0.064 0.000 2.525 130 S HA 0.050 4.520 4.470 0.000 0.000 0.285 130 S C 0.971 175.515 174.600 -0.094 0.000 1.283 130 S CA -0.217 57.973 58.200 -0.017 0.000 1.072 130 S CB 0.129 63.275 63.200 -0.090 0.000 0.867 130 S HN 0.524 nan 8.310 nan 0.000 0.492 131 I N 1.937 122.472 120.570 -0.059 0.000 4.244 131 I HA 0.350 4.520 4.170 0.000 0.000 0.318 131 I C 1.307 177.329 176.117 -0.159 0.000 1.282 131 I CA 0.173 61.431 61.300 -0.071 0.000 1.276 131 I CB -0.344 37.839 38.000 0.305 0.000 1.183 131 I HN 0.373 nan 8.210 nan 0.000 0.431 132 D N 2.023 122.373 120.400 -0.083 0.000 2.172 132 D HA -0.242 4.398 4.640 0.000 0.000 0.196 132 D C 2.093 178.333 176.300 -0.100 0.000 0.999 132 D CA 1.925 55.893 54.000 -0.053 0.000 0.856 132 D CB -0.248 40.539 40.800 -0.022 0.000 0.934 132 D HN 0.482 nan 8.370 nan 0.000 0.453 133 I N 0.498 120.903 120.570 -0.275 0.000 2.335 133 I HA -0.261 3.909 4.170 0.000 0.000 0.251 133 I C 1.560 177.680 176.117 0.004 0.000 1.129 133 I CA 1.043 62.213 61.300 -0.216 0.000 1.402 133 I CB -0.310 37.514 38.000 -0.294 0.000 1.069 133 I HN -0.183 nan 8.210 nan 0.000 0.424 134 F N 0.063 120.111 119.950 0.163 0.000 2.325 134 F HA -0.034 4.493 4.527 0.000 0.000 0.299 134 F C 2.192 178.096 175.800 0.173 0.000 1.090 134 F CA 0.711 58.829 58.000 0.196 0.000 1.392 134 F CB -1.484 37.592 39.000 0.127 0.000 1.053 134 F HN 0.032 nan 8.300 nan 0.000 0.521 135 L N -0.019 121.386 121.223 0.303 0.000 2.187 135 L HA -0.222 4.118 4.340 0.000 0.000 0.213 135 L C 1.868 178.915 176.870 0.296 0.000 1.100 135 L CA 1.192 56.209 54.840 0.295 0.000 0.765 135 L CB -0.696 41.510 42.059 0.246 0.000 0.904 135 L HN 0.162 nan 8.230 nan 0.000 0.437 136 D N 0.178 120.721 120.400 0.238 0.000 2.309 136 D HA -0.128 4.512 4.640 0.000 0.000 0.212 136 D C 1.481 177.931 176.300 0.250 0.000 0.968 136 D CA 0.879 55.014 54.000 0.225 0.000 0.882 136 D CB 0.096 41.015 40.800 0.199 0.000 0.918 136 D HN 0.252 nan 8.370 nan 0.000 0.503 137 R N 0.298 120.955 120.500 0.263 0.000 2.629 137 R HA 0.142 4.482 4.340 0.000 0.000 0.386 137 R C 1.477 177.839 176.300 0.104 0.000 1.071 137 R CA -0.247 55.959 56.100 0.177 0.000 1.104 137 R CB 0.089 30.495 30.300 0.176 0.000 1.370 137 R HN 0.144 nan 8.270 nan 0.000 0.574 138 L N 0.432 121.745 121.223 0.150 0.000 2.005 138 L HA 0.058 4.398 4.340 0.000 0.000 0.207 138 L C 0.635 177.479 176.870 -0.043 0.000 1.072 138 L CA 1.441 56.314 54.840 0.055 0.000 0.744 138 L CB -0.348 41.746 42.059 0.059 0.000 0.895 138 L HN 0.004 nan 8.230 nan 0.000 0.433 139 F N 1.110 121.058 119.950 -0.003 0.000 2.538 139 F HA 0.152 4.679 4.527 0.000 0.000 0.382 139 F C -0.611 175.251 175.800 0.103 0.000 1.069 139 F CA -0.568 57.408 58.000 -0.040 0.000 1.138 139 F CB -0.870 38.117 39.000 -0.021 0.000 1.068 139 F HN 0.131 nan 8.300 nan 0.000 0.556 140 Y N 5.527 125.169 120.300 -1.097 0.000 2.401 140 Y HA 0.274 4.824 4.550 0.000 0.000 0.330 140 Y C -1.323 174.311 175.900 -0.444 0.000 1.071 140 Y CA -1.202 56.421 58.100 -0.795 0.000 1.049 140 Y CB 0.858 39.078 38.460 -0.400 0.000 1.239 140 Y HN 0.492 nan 8.280 nan 0.000 0.437 141 D N 8.511 128.419 120.400 -0.820 0.000 2.339 141 D HA 0.247 4.887 4.640 0.000 0.000 0.241 141 D C -1.653 174.220 176.300 -0.712 0.000 1.183 141 D CA -2.293 51.446 54.000 -0.435 0.000 0.859 141 D CB 1.905 42.626 40.800 -0.132 0.000 1.067 141 D HN 0.400 nan 8.370 nan 0.000 0.484 142 P HA -0.218 nan 4.420 nan 0.000 0.218 142 P C 1.293 178.574 177.300 -0.032 0.000 1.146 142 P CA 1.337 64.355 63.100 -0.138 0.000 0.813 142 P CB -0.206 31.477 31.700 -0.028 0.000 0.778 143 T N -3.366 111.122 114.554 -0.109 0.000 2.802 143 T HA -0.191 4.159 4.350 0.000 0.000 0.269 143 T C 0.955 175.627 174.700 -0.047 0.000 1.062 143 T CA 1.164 63.224 62.100 -0.067 0.000 1.133 143 T CB -0.626 68.197 68.868 -0.075 0.000 0.852 143 T HN 0.114 nan 8.240 nan 0.000 0.485 144 Q N 1.661 121.397 119.800 -0.106 0.000 2.401 144 Q HA 0.379 4.719 4.340 0.000 0.000 0.260 144 Q C -1.597 174.420 176.000 0.030 0.000 1.034 144 Q CA -0.226 55.542 55.803 -0.060 0.000 0.737 144 Q CB 1.547 30.224 28.738 -0.102 0.000 1.227 144 Q HN 0.400 nan 8.270 nan 0.000 0.488 145 D N 1.164 121.642 120.400 0.130 0.000 2.631 145 D HA 0.130 4.770 4.640 0.000 0.000 0.227 145 D C -0.392 176.019 176.300 0.186 0.000 1.146 145 D CA 0.295 54.444 54.000 0.247 0.000 1.009 145 D CB 0.400 41.286 40.800 0.143 0.000 1.057 145 D HN 0.131 nan 8.370 nan 0.000 0.509 146 S N 1.512 117.360 115.700 0.248 0.000 2.359 146 S HA 0.205 4.675 4.470 0.000 0.000 0.148 146 S C -1.704 172.995 174.600 0.165 0.000 1.610 146 S CA -1.063 57.237 58.200 0.166 0.000 1.274 146 S CB 0.525 63.785 63.200 0.100 0.000 1.380 146 S HN 0.171 nan 8.310 nan 0.000 0.380 147 P HA -0.059 nan 4.420 nan 0.000 0.218 147 P C 1.448 178.714 177.300 -0.057 0.000 1.149 147 P CA 0.723 63.804 63.100 -0.031 0.000 0.817 147 P CB -0.006 31.635 31.700 -0.098 0.000 0.785 148 I N 0.987 121.550 120.570 -0.011 0.000 2.227 148 I HA -0.345 3.825 4.170 0.000 0.000 0.250 148 I C 2.562 178.661 176.117 -0.030 0.000 1.087 148 I CA 2.456 63.750 61.300 -0.010 0.000 1.352 148 I CB -1.742 36.274 38.000 0.027 0.000 1.043 148 I HN 0.108 nan 8.210 nan 0.000 0.425 149 T N -0.714 113.828 114.554 -0.020 0.000 2.607 149 T HA -0.251 4.099 4.350 0.000 0.000 0.267 149 T C 1.795 176.462 174.700 -0.054 0.000 1.049 149 T CA 1.606 63.696 62.100 -0.017 0.000 1.162 149 T CB -0.697 68.177 68.868 0.009 0.000 0.863 149 T HN 0.449 nan 8.240 nan 0.000 0.424 150 A N 0.312 123.050 122.820 -0.137 0.000 2.229 150 A HA 0.524 4.844 4.320 0.000 0.000 0.211 150 A C 1.287 178.435 177.584 -0.726 0.000 1.193 150 A CA -0.409 51.478 52.037 -0.251 0.000 0.879 150 A CB 0.078 18.980 19.000 -0.163 0.000 0.911 150 A HN 0.561 nan 8.150 nan 0.000 0.492 151 I N 2.587 122.732 120.570 -0.708 0.000 2.227 151 I HA 0.043 4.213 4.170 0.000 0.000 0.297 151 I C 1.141 177.107 176.117 -0.252 0.000 1.173 151 I CA 0.163 60.986 61.300 -0.794 0.000 1.356 151 I CB 0.499 38.213 38.000 -0.476 0.000 1.485 151 I HN 0.308 nan 8.210 nan 0.000 0.604 152 T N 0.711 115.209 114.554 -0.093 0.000 3.086 152 T HA 0.172 4.522 4.350 0.000 0.000 0.250 152 T C 0.980 175.821 174.700 0.235 0.000 1.074 152 T CA 0.020 62.190 62.100 0.118 0.000 0.988 152 T CB 0.616 69.579 68.868 0.158 0.000 0.988 152 T HN 0.611 nan 8.240 nan 0.000 0.530 153 K N -1.245 119.351 120.400 0.328 0.000 3.012 153 K HA 0.115 4.435 4.320 0.000 0.000 0.294 153 K C -0.652 176.059 176.600 0.186 0.000 2.966 153 K CA 0.444 56.940 56.287 0.349 0.000 1.602 153 K CB -0.359 32.332 32.500 0.318 0.000 3.180 153 K HN 0.037 nan 8.250 nan 0.000 0.307 154 F N 0.020 119.921 119.950 -0.080 0.000 2.184 154 F HA -0.275 4.252 4.527 0.000 0.000 0.320 154 F C -2.215 173.450 175.800 -0.224 0.000 0.531 154 F CA 1.555 59.485 58.000 -0.118 0.000 0.912 154 F CB -2.120 36.835 39.000 -0.074 0.000 4.131 154 F HN 0.345 nan 8.300 nan 0.000 0.138 155 P HA 0.423 nan 4.420 nan 0.000 0.289 155 P C -1.517 175.216 177.300 -0.946 0.000 1.293 155 P CA -0.187 62.675 63.100 -0.398 0.000 0.897 155 P CB 1.072 32.663 31.700 -0.182 0.000 1.166 156 Y N 0.182 120.459 120.300 -0.038 0.000 2.525 156 Y HA 0.256 4.806 4.550 0.000 0.000 0.365 156 Y C 1.420 177.310 175.900 -0.017 0.000 0.929 156 Y CA 0.046 58.119 58.100 -0.044 0.000 1.196 156 Y CB 1.041 39.503 38.460 0.003 0.000 1.232 156 Y HN 0.338 nan 8.280 nan 0.000 0.613 157 Q N 0.426 120.180 119.800 -0.076 0.000 2.013 157 Q HA -0.018 4.322 4.340 0.000 0.000 0.158 157 Q C 1.819 177.891 176.000 0.120 0.000 0.517 157 Q CA 0.313 56.157 55.803 0.069 0.000 0.753 157 Q CB -0.317 28.525 28.738 0.173 0.000 1.005 157 Q HN 0.661 nan 8.270 nan 0.000 0.393 158 W N 1.693 123.027 121.300 0.056 0.000 2.519 158 W HA 0.171 4.831 4.660 0.000 0.000 0.266 158 W C 0.295 176.792 176.519 -0.035 0.000 1.253 158 W CA 1.096 58.434 57.345 -0.011 0.000 1.274 158 W CB -0.414 28.977 29.460 -0.115 0.000 1.114 158 W HN 0.139 nan 8.180 nan 0.000 0.596 159 T N 1.361 115.429 114.554 -0.811 0.000 2.863 159 T HA 0.567 4.917 4.350 0.000 0.000 0.285 159 T C -0.843 173.638 174.700 -0.366 0.000 1.009 159 T CA -0.626 61.031 62.100 -0.739 0.000 0.989 159 T CB 1.462 69.647 68.868 -1.139 0.000 1.004 159 T HN -0.023 nan 8.240 nan 0.000 0.455 160 I N 5.622 126.116 120.570 -0.126 0.000 2.621 160 I HA 0.277 4.447 4.170 0.000 0.000 0.276 160 I C -0.038 176.192 176.117 0.189 0.000 1.118 160 I CA -0.804 60.577 61.300 0.134 0.000 1.159 160 I CB 0.701 38.815 38.000 0.189 0.000 1.357 160 I HN 0.611 nan 8.210 nan 0.000 0.513 161 D N 3.398 123.891 120.400 0.155 0.000 2.255 161 D HA 0.087 4.727 4.640 0.000 0.000 0.249 161 D C 0.372 176.835 176.300 0.273 0.000 1.078 161 D CA -0.541 53.557 54.000 0.163 0.000 0.896 161 D CB 1.713 42.525 40.800 0.019 0.000 1.194 161 D HN 0.367 nan 8.370 nan 0.000 0.429 162 S N 1.815 117.634 115.700 0.199 0.000 4.053 162 S HA -0.010 4.460 4.470 0.000 0.000 0.184 162 S C 0.571 175.257 174.600 0.144 0.000 1.324 162 S CA -0.441 57.853 58.200 0.157 0.000 0.956 162 S CB -1.140 62.130 63.200 0.117 0.000 1.503 162 S HN 0.642 nan 8.310 nan 0.000 0.440 163 N N 0.511 119.342 118.700 0.219 0.000 3.058 163 N HA -0.347 4.393 4.740 0.000 0.000 0.176 163 N C 1.149 176.751 175.510 0.154 0.000 0.244 163 N CA 2.512 55.703 53.050 0.235 0.000 1.993 163 N CB -1.762 36.820 38.487 0.157 0.000 1.263 163 N HN 0.787 nan 8.380 nan 0.000 0.407 164 V N -3.466 116.509 119.914 0.101 0.000 3.078 164 V HA 0.092 4.212 4.120 0.000 0.000 0.265 164 V C 0.909 177.029 176.094 0.044 0.000 1.122 164 V CA 1.656 63.992 62.300 0.061 0.000 1.141 164 V CB -0.823 31.033 31.823 0.055 0.000 0.735 164 V HN 0.586 nan 8.190 nan 0.000 0.498 165 T N 0.536 115.132 114.554 0.069 0.000 4.595 165 T HA -0.219 4.131 4.350 0.000 0.000 0.311 165 T C 1.004 175.750 174.700 0.076 0.000 1.052 165 T CA 1.322 63.468 62.100 0.076 0.000 2.205 165 T CB -2.415 66.477 68.868 0.041 0.000 1.872 165 T HN 0.969 nan 8.240 nan 0.000 0.961 166 T N -1.226 113.370 114.554 0.069 0.000 2.803 166 T HA -0.141 4.209 4.350 0.000 0.000 0.269 166 T C 1.297 176.044 174.700 0.078 0.000 1.052 166 T CA 1.845 63.985 62.100 0.066 0.000 1.136 166 T CB -0.164 68.737 68.868 0.055 0.000 0.864 166 T HN 0.571 nan 8.240 nan 0.000 0.467 167 D N 1.172 121.623 120.400 0.085 0.000 2.262 167 D HA 0.139 4.779 4.640 0.000 0.000 0.212 167 D C 0.440 176.827 176.300 0.145 0.000 0.964 167 D CA 0.806 54.863 54.000 0.095 0.000 0.875 167 D CB 0.569 41.403 40.800 0.058 0.000 0.996 167 D HN 0.567 nan 8.370 nan 0.000 0.497 168 S N -1.582 114.216 115.700 0.163 0.000 2.614 168 S HA 0.297 4.767 4.470 0.000 0.000 0.280 168 S C -1.712 173.042 174.600 0.257 0.000 1.111 168 S CA -1.068 57.278 58.200 0.243 0.000 0.847 168 S CB 1.489 64.832 63.200 0.239 0.000 1.079 168 S HN -0.001 nan 8.310 nan 0.000 0.452 169 V N 2.699 122.801 119.914 0.314 0.000 2.380 169 V HA 0.601 4.721 4.120 0.000 0.000 0.286 169 V C 0.183 176.442 176.094 0.274 0.000 1.015 169 V CA -0.573 61.878 62.300 0.251 0.000 0.834 169 V CB 1.195 33.100 31.823 0.137 0.000 1.009 169 V HN 1.037 nan 8.190 nan 0.000 0.428 170 R N 4.215 124.799 120.500 0.139 0.000 2.643 170 R HA 0.340 4.680 4.340 0.000 0.000 0.270 170 R C -0.678 175.560 176.300 -0.104 0.000 1.061 170 R CA 0.335 56.260 56.100 -0.292 0.000 1.107 170 R CB 0.973 31.021 30.300 -0.420 0.000 0.999 170 R HN 0.746 nan 8.270 nan 0.000 0.460 171 T N 2.257 116.759 114.554 -0.087 0.000 2.886 171 T HA 0.146 4.496 4.350 0.000 0.000 0.292 171 T C -0.569 174.154 174.700 0.040 0.000 1.012 171 T CA -0.647 61.511 62.100 0.097 0.000 0.982 171 T CB 1.435 70.462 68.868 0.265 0.000 1.018 171 T HN 0.658 nan 8.240 nan 0.000 0.451 172 S N 1.874 117.660 115.700 0.144 0.000 2.643 172 S HA 0.097 4.567 4.470 0.000 0.000 0.310 172 S C 0.867 175.537 174.600 0.117 0.000 1.253 172 S CA -0.434 57.851 58.200 0.142 0.000 1.047 172 S CB -0.118 63.208 63.200 0.209 0.000 0.767 172 S HN 1.070 nan 8.310 nan 0.000 0.498 173 A N 3.894 126.788 122.820 0.123 0.000 2.901 173 A HA 0.428 4.748 4.320 0.000 0.000 0.289 173 A C 1.277 178.848 177.584 -0.022 0.000 1.779 173 A CA -0.070 52.080 52.037 0.187 0.000 1.352 173 A CB -1.380 17.765 19.000 0.241 0.000 1.008 173 A HN 1.580 nan 8.150 nan 0.000 0.596 174 G N 1.918 110.750 108.800 0.053 0.000 2.527 174 G HA2 0.182 4.142 3.960 0.000 0.000 0.288 174 G HA3 0.182 4.142 3.960 0.000 0.000 0.288 174 G C 0.302 175.021 174.900 -0.302 0.000 0.651 174 G CA -0.055 45.023 45.100 -0.035 0.000 2.096 174 G HN 0.752 nan 8.290 nan 0.000 0.520 175 C N 1.717 120.744 119.300 -0.455 0.000 2.463 175 C HA 0.518 4.978 4.460 0.000 0.000 0.380 175 C C 1.422 176.293 174.990 -0.197 0.000 1.264 175 C CA -0.551 58.113 59.018 -0.590 0.000 2.161 175 C CB 1.709 29.062 27.740 -0.644 0.000 2.515 175 C HN 0.826 nan 8.230 nan 0.000 0.565 176 K N 0.504 120.843 120.400 -0.103 0.000 2.309 176 K HA 0.213 4.533 4.320 0.000 0.000 0.210 176 K C -0.357 176.249 176.600 0.009 0.000 1.114 176 K CA 0.487 56.762 56.287 -0.019 0.000 0.912 176 K CB -0.096 32.384 32.500 -0.034 0.000 1.198 176 K HN 0.681 nan 8.250 nan 0.000 0.471 177 Y N 2.618 122.935 120.300 0.029 0.000 2.650 177 Y HA 0.269 4.819 4.550 0.000 0.000 0.343 177 Y C -0.367 175.556 175.900 0.038 0.000 1.078 177 Y CA -0.817 57.306 58.100 0.038 0.000 1.356 177 Y CB 0.319 38.839 38.460 0.100 0.000 1.204 177 Y HN -0.037 nan 8.280 nan 0.000 0.508 178 I N 2.840 123.455 120.570 0.075 0.000 2.329 178 I HA -0.003 4.167 4.170 0.000 0.000 0.295 178 I C 1.006 177.071 176.117 -0.086 0.000 1.109 178 I CA -0.050 61.210 61.300 -0.068 0.000 1.297 178 I CB -0.110 37.860 38.000 -0.050 0.000 1.433 178 I HN 0.449 nan 8.210 nan 0.000 0.509 179 T N 7.210 121.671 114.554 -0.155 0.000 2.939 179 T HA 0.227 4.577 4.350 0.000 0.000 0.319 179 T C 0.044 174.722 174.700 -0.035 0.000 1.082 179 T CA 0.152 62.199 62.100 -0.088 0.000 1.133 179 T CB 0.176 68.963 68.868 -0.135 0.000 1.019 179 T HN 0.346 nan 8.240 nan 0.000 0.548 180 L N 5.393 126.634 121.223 0.030 0.000 2.325 180 L HA 0.364 4.704 4.340 0.000 0.000 0.278 180 L C 0.976 177.923 176.870 0.130 0.000 1.023 180 L CA -0.995 53.886 54.840 0.069 0.000 0.811 180 L CB 1.145 43.235 42.059 0.051 0.000 1.249 180 L HN 0.755 nan 8.230 nan 0.000 0.431 181 Y N 3.317 123.638 120.300 0.035 0.000 1.971 181 Y HA -0.445 4.106 4.550 0.000 0.000 0.181 181 Y C 2.021 177.936 175.900 0.026 0.000 1.167 181 Y CA 2.325 60.443 58.100 0.030 0.000 0.869 181 Y CB -0.972 37.510 38.460 0.037 0.000 0.693 181 Y HN 0.745 nan 8.280 nan 0.000 0.587 182 G N -2.279 106.484 108.800 -0.062 0.000 2.479 182 G HA2 -0.295 3.665 3.960 0.000 0.000 0.220 182 G HA3 -0.295 3.665 3.960 0.000 0.000 0.220 182 G C 0.263 175.152 174.900 -0.019 0.000 1.115 182 G CA 0.709 45.746 45.100 -0.105 0.000 0.757 182 G HN 0.460 nan 8.290 nan 0.000 0.560 183 Y N 1.970 122.202 120.300 -0.113 0.000 2.650 183 Y HA 0.324 4.874 4.550 0.000 0.000 0.343 183 Y C 0.330 176.168 175.900 -0.103 0.000 1.078 183 Y CA -1.920 56.124 58.100 -0.094 0.000 1.356 183 Y CB 0.238 38.660 38.460 -0.063 0.000 1.204 183 Y HN 0.098 nan 8.280 nan 0.000 0.508 184 D N 3.624 123.782 120.400 -0.403 0.000 2.504 184 D HA 0.134 4.774 4.640 0.000 0.000 0.276 184 D C -1.747 174.300 176.300 -0.422 0.000 1.073 184 D CA 0.231 53.971 54.000 -0.432 0.000 0.905 184 D CB 0.031 40.666 40.800 -0.274 0.000 1.350 184 D HN 0.359 nan 8.370 nan 0.000 0.496 185 P HA 0.174 nan 4.420 nan 0.000 0.290 185 P C -0.471 176.768 177.300 -0.101 0.000 1.276 185 P CA -0.333 62.670 63.100 -0.161 0.000 0.808 185 P CB 1.157 32.818 31.700 -0.066 0.000 0.966 186 S N 3.270 118.918 115.700 -0.087 0.000 2.811 186 S HA 0.006 4.476 4.470 0.000 0.000 0.325 186 S C 0.256 174.905 174.600 0.082 0.000 1.224 186 S CA -0.346 57.865 58.200 0.017 0.000 1.125 186 S CB -0.023 63.142 63.200 -0.059 0.000 0.867 186 S HN 0.474 nan 8.310 nan 0.000 0.512 187 R N 3.731 124.346 120.500 0.191 0.000 2.437 187 R HA 0.356 4.696 4.340 0.000 0.000 0.310 187 R C -2.192 174.121 176.300 0.020 0.000 0.955 187 R CA -2.420 53.731 56.100 0.085 0.000 0.851 187 R CB 1.280 31.638 30.300 0.097 0.000 1.161 187 R HN 0.355 nan 8.270 nan 0.000 0.446 188 P HA -0.083 nan 4.420 nan 0.000 0.222 188 P C 0.249 177.536 177.300 -0.021 0.000 1.147 188 P CA 1.006 64.108 63.100 0.004 0.000 0.790 188 P CB 0.344 32.051 31.700 0.011 0.000 0.780 189 S N -1.886 113.782 115.700 -0.053 0.000 2.602 189 S HA 0.213 4.683 4.470 0.000 0.000 0.246 189 S C 0.542 175.065 174.600 -0.129 0.000 1.009 189 S CA -0.473 57.683 58.200 -0.074 0.000 1.052 189 S CB -1.202 61.958 63.200 -0.068 0.000 0.778 189 S HN 0.175 nan 8.310 nan 0.000 0.455 190 T N -1.242 113.213 114.554 -0.166 0.000 2.950 190 T HA 0.663 5.013 4.350 0.000 0.000 0.288 190 T C -3.378 171.203 174.700 -0.198 0.000 1.035 190 T CA -2.670 59.265 62.100 -0.276 0.000 1.028 190 T CB 1.029 69.542 68.868 -0.592 0.000 1.109 190 T HN -0.127 nan 8.240 nan 0.000 0.514 191 P HA 0.323 nan 4.420 nan 0.000 0.269 191 P C -0.536 176.625 177.300 -0.232 0.000 1.209 191 P CA -0.372 62.634 63.100 -0.156 0.000 0.776 191 P CB 0.185 31.837 31.700 -0.079 0.000 0.876 192 A N 2.222 124.844 122.820 -0.331 0.000 2.981 192 A HA 0.138 4.458 4.320 0.000 0.000 0.280 192 A C 1.575 178.406 177.584 -1.255 0.000 1.743 192 A CA 0.284 51.877 52.037 -0.739 0.000 1.430 192 A CB -1.381 17.079 19.000 -0.900 0.000 1.085 192 A HN 0.641 nan 8.150 nan 0.000 0.597 193 T N -0.897 113.146 114.554 -0.852 0.000 2.803 193 T HA -0.272 4.078 4.350 0.000 0.000 0.269 193 T C 0.920 175.129 174.700 -0.819 0.000 1.052 193 T CA 1.489 62.952 62.100 -1.061 0.000 1.136 193 T CB -1.005 67.708 68.868 -0.257 0.000 0.864 193 T HN 1.031 nan 8.240 nan 0.000 0.467 194 Y N 1.343 121.481 120.300 -0.271 0.000 3.875 194 Y HA -0.159 4.391 4.550 0.000 0.000 0.216 194 Y C 1.452 177.287 175.900 -0.109 0.000 1.148 194 Y CA 0.448 58.519 58.100 -0.049 0.000 1.629 194 Y CB -2.698 35.729 38.460 -0.055 0.000 1.506 194 Y HN 0.631 nan 8.280 nan 0.000 0.629 195 G N 0.298 109.059 108.800 -0.066 0.000 2.379 195 G HA2 -0.377 3.583 3.960 0.000 0.000 0.297 195 G HA3 -0.377 3.583 3.960 0.000 0.000 0.297 195 G C 0.341 174.934 174.900 -0.511 0.000 1.004 195 G CA 0.465 45.317 45.100 -0.414 0.000 0.921 195 G HN 0.630 nan 8.290 nan 0.000 0.511 196 K N 0.391 120.718 120.400 -0.120 0.000 2.502 196 K HA 0.348 4.668 4.320 0.000 0.000 0.244 196 K C 0.626 177.238 176.600 0.020 0.000 1.249 196 K CA 0.251 56.596 56.287 0.097 0.000 1.193 196 K CB -0.056 32.698 32.500 0.422 0.000 1.674 196 K HN 0.869 nan 8.250 nan 0.000 0.302 197 H N -1.495 117.513 119.070 -0.103 0.000 3.359 197 H HA 0.286 4.842 4.556 0.000 0.000 0.258 197 H C -0.462 174.670 175.328 -0.326 0.000 1.164 197 H CA -0.703 55.145 56.048 -0.333 0.000 1.008 197 H CB -0.043 29.497 29.762 -0.370 0.000 2.548 197 H HN 0.038 nan 8.280 nan 0.000 0.733 198 R N 0.873 121.293 120.500 -0.133 0.000 2.720 198 R HA 0.364 4.705 4.340 0.000 0.000 0.272 198 R C -1.844 174.461 176.300 0.008 0.000 0.991 198 R CA -2.031 54.059 56.100 -0.017 0.000 1.010 198 R CB 1.088 31.388 30.300 -0.001 0.000 1.141 198 R HN 0.034 nan 8.270 nan 0.000 0.494 199 P HA -0.129 nan 4.420 nan 0.000 0.213 199 P C -0.045 177.324 177.300 0.115 0.000 1.170 199 P CA 1.266 64.417 63.100 0.085 0.000 0.898 199 P CB -0.171 31.593 31.700 0.106 0.000 0.787 200 T N -2.459 112.159 114.554 0.107 0.000 2.833 200 T HA -0.018 4.332 4.350 0.000 0.000 0.254 200 T C 0.190 174.982 174.700 0.153 0.000 0.972 200 T CA 0.086 62.248 62.100 0.104 0.000 1.246 200 T CB -1.028 67.881 68.868 0.068 0.000 0.949 200 T HN 0.144 nan 8.240 nan 0.000 0.567 201 Y N 2.844 123.144 120.300 -0.001 0.000 3.147 201 Y HA 0.654 5.204 4.550 0.000 0.000 0.153 201 Y C 0.033 175.926 175.900 -0.012 0.000 0.875 201 Y CA -0.038 58.055 58.100 -0.012 0.000 1.849 201 Y CB 0.625 39.077 38.460 -0.014 0.000 1.322 201 Y HN 0.799 nan 8.280 nan 0.000 0.348 202 A N 0.613 123.321 122.820 -0.187 0.000 2.562 202 A HA 0.391 4.711 4.320 0.000 0.000 0.305 202 A C -1.033 176.512 177.584 -0.065 0.000 1.059 202 A CA -0.194 51.697 52.037 -0.243 0.000 0.835 202 A CB -0.377 18.307 19.000 -0.527 0.000 1.299 202 A HN 0.473 nan 8.150 nan 0.000 0.392 203 T N 0.552 115.067 114.554 -0.066 0.000 2.769 203 T HA 0.430 4.780 4.350 0.000 0.000 0.293 203 T C 0.307 174.858 174.700 -0.248 0.000 0.931 203 T CA -0.146 61.839 62.100 -0.192 0.000 1.139 203 T CB 0.075 68.800 68.868 -0.239 0.000 0.881 203 T HN 1.291 nan 8.240 nan 0.000 0.532 204 V N 4.086 123.826 119.914 -0.289 0.000 2.153 204 V HA 0.264 4.384 4.120 0.000 0.000 0.250 204 V C -0.077 175.771 176.094 -0.411 0.000 1.334 204 V CA -0.831 61.288 62.300 -0.300 0.000 1.249 204 V CB -1.663 30.010 31.823 -0.250 0.000 1.371 204 V HN 0.779 nan 8.190 nan 0.000 0.498 205 F N 3.131 122.992 119.950 -0.148 0.000 2.444 205 F HA 0.476 5.003 4.527 0.000 0.000 0.360 205 F C 0.393 176.066 175.800 -0.211 0.000 1.106 205 F CA -0.140 57.823 58.000 -0.062 0.000 1.170 205 F CB 0.415 39.469 39.000 0.089 0.000 1.113 205 F HN 0.324 nan 8.300 nan 0.000 0.521 206 Y N 2.958 123.381 120.300 0.205 0.000 2.352 206 Y HA 0.436 4.986 4.550 0.000 0.000 0.326 206 Y C -0.541 175.363 175.900 0.007 0.000 1.166 206 Y CA -0.959 57.121 58.100 -0.034 0.000 1.182 206 Y CB 1.032 39.451 38.460 -0.068 0.000 1.216 206 Y HN 0.434 nan 8.280 nan 0.000 0.474 207 Y N -1.940 118.519 120.300 0.265 0.000 2.442 207 Y HA 0.421 4.971 4.550 0.000 0.000 0.344 207 Y C 0.846 176.820 175.900 0.123 0.000 0.976 207 Y CA -1.267 56.932 58.100 0.166 0.000 1.040 207 Y CB 1.133 39.658 38.460 0.108 0.000 1.228 207 Y HN 0.566 nan 8.280 nan 0.000 0.451 208 S N 1.151 116.960 115.700 0.182 0.000 2.359 208 S HA -0.035 4.435 4.470 0.000 0.000 0.224 208 S C 0.711 175.390 174.600 0.131 0.000 1.035 208 S CA 1.566 59.837 58.200 0.118 0.000 1.018 208 S CB -0.769 62.491 63.200 0.101 0.000 0.876 208 S HN 1.107 nan 8.310 nan 0.000 0.448 209 T N -3.054 111.616 114.554 0.193 0.000 2.731 209 T HA 0.563 4.913 4.350 0.000 0.000 0.300 209 T C 0.522 175.340 174.700 0.197 0.000 1.283 209 T CA -0.291 61.915 62.100 0.177 0.000 1.005 209 T CB 0.993 69.928 68.868 0.111 0.000 1.420 209 T HN 0.097 nan 8.240 nan 0.000 0.503 210 L N 1.465 122.771 121.223 0.137 0.000 1.990 210 L HA 0.078 4.418 4.340 0.000 0.000 0.213 210 L C -0.470 176.425 176.870 0.042 0.000 1.072 210 L CA 1.953 56.845 54.840 0.087 0.000 0.755 210 L CB -0.833 41.270 42.059 0.074 0.000 0.889 210 L HN 0.651 nan 8.230 nan 0.000 0.432 211 P HA -0.134 nan 4.420 nan 0.000 0.221 211 P C 1.333 178.646 177.300 0.023 0.000 1.150 211 P CA 1.777 64.893 63.100 0.026 0.000 0.800 211 P CB -0.066 31.651 31.700 0.030 0.000 0.787 212 A N 1.385 124.238 122.820 0.055 0.000 1.865 212 A HA -0.228 4.092 4.320 0.000 0.000 0.217 212 A C 2.591 180.184 177.584 0.015 0.000 1.191 212 A CA 2.033 54.113 52.037 0.072 0.000 0.623 212 A CB -1.543 17.548 19.000 0.153 0.000 0.826 212 A HN 0.077 nan 8.150 nan 0.000 0.444 213 R N 0.308 120.775 120.500 -0.056 0.000 2.096 213 R HA -0.198 4.142 4.340 0.000 0.000 0.240 213 R C 2.414 178.578 176.300 -0.225 0.000 1.139 213 R CA 2.466 58.358 56.100 -0.346 0.000 0.952 213 R CB -0.463 29.466 30.300 -0.618 0.000 0.854 213 R HN 0.661 nan 8.270 nan 0.000 0.436 214 S N 0.350 115.977 115.700 -0.121 0.000 2.383 214 S HA -0.154 4.316 4.470 0.000 0.000 0.229 214 S C 1.944 176.508 174.600 -0.061 0.000 1.030 214 S CA 1.257 59.411 58.200 -0.076 0.000 1.002 214 S CB -0.376 62.800 63.200 -0.040 0.000 0.829 214 S HN 0.468 nan 8.310 nan 0.000 0.467 215 R N 0.351 120.822 120.500 -0.049 0.000 2.119 215 R HA 0.247 4.587 4.340 0.000 0.000 0.222 215 R C 2.312 178.578 176.300 -0.056 0.000 1.088 215 R CA 0.765 56.843 56.100 -0.037 0.000 0.984 215 R CB -0.551 29.739 30.300 -0.016 0.000 0.884 215 R HN 0.340 nan 8.270 nan 0.000 0.447 216 L N 1.353 122.526 121.223 -0.082 0.000 2.042 216 L HA -0.149 4.191 4.340 0.000 0.000 0.210 216 L C 1.876 178.667 176.870 -0.133 0.000 1.076 216 L CA 1.653 56.414 54.840 -0.131 0.000 0.749 216 L CB -0.272 41.694 42.059 -0.154 0.000 0.893 216 L HN 0.096 nan 8.230 nan 0.000 0.432 217 L N -0.649 120.508 121.223 -0.111 0.000 2.042 217 L HA -0.198 4.142 4.340 0.000 0.000 0.210 217 L C 2.719 179.558 176.870 -0.051 0.000 1.076 217 L CA 1.286 56.079 54.840 -0.078 0.000 0.749 217 L CB -1.254 40.766 42.059 -0.064 0.000 0.893 217 L HN 0.345 nan 8.230 nan 0.000 0.432 218 A N 0.563 123.356 122.820 -0.046 0.000 1.902 218 A HA -0.240 4.080 4.320 0.000 0.000 0.217 218 A C 2.066 179.628 177.584 -0.037 0.000 1.181 218 A CA 2.139 54.156 52.037 -0.033 0.000 0.623 218 A CB -0.941 18.043 19.000 -0.027 0.000 0.818 218 A HN 0.560 nan 8.150 nan 0.000 0.443 219 N N -0.244 118.424 118.700 -0.054 0.000 2.091 219 N HA -0.134 4.606 4.740 0.000 0.000 0.193 219 N C 0.016 175.492 175.510 -0.057 0.000 1.021 219 N CA 0.937 53.951 53.050 -0.060 0.000 0.862 219 N CB -0.374 38.060 38.487 -0.089 0.000 1.018 219 N HN 0.404 nan 8.380 nan 0.000 0.429 220 L N 1.595 122.775 121.223 -0.072 0.000 2.391 220 L HA 0.210 4.550 4.340 0.000 0.000 0.249 220 L C 0.136 176.994 176.870 -0.020 0.000 1.308 220 L CA -0.683 54.124 54.840 -0.055 0.000 1.209 220 L CB 0.092 42.102 42.059 -0.081 0.000 1.401 220 L HN 0.084 nan 8.230 nan 0.000 0.416 221 A N 2.581 125.395 122.820 -0.011 0.000 3.026 221 A HA 0.647 4.967 4.320 0.000 0.000 0.272 221 A C 0.577 178.166 177.584 0.008 0.000 1.782 221 A CA 0.322 52.358 52.037 -0.000 0.000 1.451 221 A CB -0.432 18.568 19.000 -0.001 0.000 1.081 221 A HN 0.639 nan 8.150 nan 0.000 0.611 222 A N -0.116 122.713 122.820 0.013 0.000 2.567 222 A HA 0.655 4.975 4.320 0.000 0.000 0.291 222 A C 0.128 177.729 177.584 0.028 0.000 1.048 222 A CA 0.005 52.054 52.037 0.020 0.000 0.661 222 A CB 0.119 19.133 19.000 0.022 0.000 1.288 222 A HN 1.323 nan 8.150 nan 0.000 0.424 223 G N 0.632 109.450 108.800 0.030 0.000 4.331 223 G HA2 0.549 4.509 3.960 0.000 0.000 0.299 223 G HA3 0.549 4.509 3.960 0.000 0.000 0.299 223 G C -2.617 172.298 174.900 0.025 0.000 1.158 223 G CA -0.883 44.239 45.100 0.036 0.000 0.916 223 G HN 0.452 nan 8.290 nan 0.000 0.553 224 P HA 0.208 nan 4.420 nan 0.000 0.271 224 P C 0.462 177.773 177.300 0.018 0.000 1.216 224 P CA 0.276 63.383 63.100 0.011 0.000 0.776 224 P CB 0.692 32.399 31.700 0.012 0.000 0.881 225 T N 1.614 116.167 114.554 -0.001 0.000 2.871 225 T HA 0.111 4.461 4.350 0.000 0.000 0.296 225 T C 0.272 174.992 174.700 0.032 0.000 0.998 225 T CA -0.097 62.003 62.100 -0.000 0.000 1.162 225 T CB -0.139 68.699 68.868 -0.050 0.000 0.947 225 T HN 0.052 nan 8.240 nan 0.000 0.536 226 V N 5.531 125.489 119.914 0.074 0.000 2.313 226 V HA 0.272 4.392 4.120 0.000 0.000 0.278 226 V C 0.123 176.314 176.094 0.162 0.000 1.017 226 V CA -0.605 61.762 62.300 0.113 0.000 0.823 226 V CB 0.910 32.795 31.823 0.104 0.000 1.010 226 V HN 0.769 nan 8.190 nan 0.000 0.443 227 L N 5.509 126.835 121.223 0.172 0.000 2.353 227 L HA 0.415 4.755 4.340 0.000 0.000 0.269 227 L C 0.524 177.655 176.870 0.435 0.000 1.085 227 L CA -0.034 54.966 54.840 0.268 0.000 0.938 227 L CB 0.380 42.523 42.059 0.140 0.000 1.312 227 L HN 0.607 nan 8.230 nan 0.000 0.429 228 E N 1.236 121.650 120.200 0.357 0.000 2.223 228 E HA 0.091 4.441 4.350 0.000 0.000 0.282 228 E C -0.608 175.935 176.600 -0.096 0.000 1.046 228 E CA -0.470 56.049 56.400 0.199 0.000 0.857 228 E CB 1.156 30.943 29.700 0.145 0.000 1.055 228 E HN 0.329 nan 8.360 nan 0.000 0.409 229 H N 2.309 121.040 119.070 -0.565 0.000 2.722 229 H HA 0.141 4.697 4.556 0.000 0.000 0.328 229 H C -1.119 173.406 175.328 -1.338 0.000 1.067 229 H CA 0.102 55.516 56.048 -1.056 0.000 1.447 229 H CB 0.187 29.196 29.762 -1.256 0.000 1.469 229 H HN 0.341 nan 8.280 nan 0.000 0.544 230 F N 4.836 124.271 119.950 -0.857 0.000 2.443 230 F HA 0.234 4.761 4.527 0.000 0.000 0.369 230 F C 0.273 175.629 175.800 -0.740 0.000 1.090 230 F CA -0.265 57.389 58.000 -0.576 0.000 1.129 230 F CB 1.100 39.974 39.000 -0.211 0.000 1.367 230 F HN 0.735 nan 8.300 nan 0.000 0.465 231 D N 0.270 120.384 120.400 -0.477 0.000 1.916 231 D HA 0.014 4.654 4.640 0.000 0.000 0.036 231 D C -0.708 175.559 176.300 -0.055 0.000 1.445 231 D CA 0.067 53.969 54.000 -0.164 0.000 0.696 231 D CB 0.088 40.834 40.800 -0.089 0.000 3.187 231 D HN 0.037 nan 8.370 nan 0.000 0.192 232 S N 0.890 116.691 115.700 0.168 0.000 2.389 232 S HA 0.499 4.969 4.470 0.000 0.000 0.201 232 S C -2.928 171.527 174.600 -0.241 0.000 1.422 232 S CA -1.111 56.918 58.200 -0.284 0.000 1.216 232 S CB 1.377 64.040 63.200 -0.895 0.000 1.130 232 S HN 0.111 nan 8.310 nan 0.000 0.465 233 P HA 0.186 nan 4.420 nan 0.000 0.280 233 P C 1.300 178.842 177.300 0.403 0.000 1.386 233 P CA 0.083 63.175 63.100 -0.015 0.000 0.899 233 P CB 0.385 31.927 31.700 -0.263 0.000 1.098 234 T N 2.426 117.320 114.554 0.567 0.000 3.037 234 T HA -0.355 3.995 4.350 0.000 0.000 0.123 234 T C 0.736 175.683 174.700 0.412 0.000 1.771 234 T CA 1.665 64.055 62.100 0.482 0.000 0.871 234 T CB -2.126 66.963 68.868 0.368 0.000 0.921 234 T HN 0.397 nan 8.240 nan 0.000 0.425 235 Y N 4.035 124.509 120.300 0.291 0.000 2.722 235 Y HA 0.553 5.103 4.550 0.000 0.000 0.314 235 Y C 0.716 176.527 175.900 -0.148 0.000 1.008 235 Y CA 0.152 58.250 58.100 -0.003 0.000 1.294 235 Y CB 0.334 38.707 38.460 -0.146 0.000 1.231 235 Y HN 1.180 nan 8.280 nan 0.000 0.558 236 G N 0.658 109.305 108.800 -0.255 0.000 2.351 236 G HA2 0.023 3.983 3.960 0.000 0.000 0.353 236 G HA3 0.023 3.983 3.960 0.000 0.000 0.353 236 G C -3.270 171.678 174.900 0.079 0.000 1.358 236 G CA -1.294 43.685 45.100 -0.202 0.000 0.995 236 G HN -0.091 nan 8.290 nan 0.000 0.611 237 P HA 0.197 nan 4.420 nan 0.000 0.260 237 P C -0.169 176.631 177.300 -0.833 0.000 1.207 237 P CA 0.486 63.365 63.100 -0.367 0.000 0.780 237 P CB -0.091 31.439 31.700 -0.283 0.000 0.789 238 H N 3.091 121.853 119.070 -0.513 0.000 2.907 238 H HA 0.745 5.301 4.556 0.000 0.000 0.361 238 H C -1.196 174.176 175.328 0.072 0.000 1.194 238 H CA -1.307 54.499 56.048 -0.404 0.000 1.152 238 H CB 1.479 30.853 29.762 -0.646 0.000 1.867 238 H HN 0.172 nan 8.280 nan 0.000 0.561 239 L N -0.453 121.041 121.223 0.452 0.000 2.350 239 L HA 0.612 4.952 4.340 0.000 0.000 0.260 239 L C -1.777 175.285 176.870 0.320 0.000 1.015 239 L CA -1.148 53.964 54.840 0.454 0.000 0.821 239 L CB 1.759 44.042 42.059 0.373 0.000 1.370 239 L HN 0.427 nan 8.230 nan 0.000 0.416 240 L N 2.631 123.988 121.223 0.223 0.000 2.298 240 L HA 0.561 4.901 4.340 0.000 0.000 0.284 240 L C -0.795 176.099 176.870 0.039 0.000 1.013 240 L CA -0.305 54.551 54.840 0.027 0.000 0.824 240 L CB 1.665 43.630 42.059 -0.157 0.000 1.221 240 L HN 0.627 nan 8.230 nan 0.000 0.418 241 L N 7.105 128.368 121.223 0.066 0.000 2.287 241 L HA 0.612 4.952 4.340 0.000 0.000 0.280 241 L C -2.366 174.492 176.870 -0.021 0.000 1.055 241 L CA -1.813 53.066 54.840 0.064 0.000 0.863 241 L CB 0.532 42.700 42.059 0.183 0.000 1.245 241 L HN 0.281 nan 8.230 nan 0.000 0.432 242 P HA 0.047 nan 4.420 nan 0.000 0.265 242 P C -0.913 176.361 177.300 -0.044 0.000 1.187 242 P CA 0.074 63.106 63.100 -0.112 0.000 0.766 242 P CB 0.427 32.052 31.700 -0.125 0.000 0.820 243 Q N 0.778 120.553 119.800 -0.042 0.000 2.354 243 Q HA 0.221 4.561 4.340 0.000 0.000 0.244 243 Q C -0.040 175.957 176.000 -0.005 0.000 0.969 243 Q CA 0.422 56.224 55.803 -0.002 0.000 0.885 243 Q CB -0.045 28.704 28.738 0.018 0.000 1.241 243 Q HN 0.345 nan 8.270 nan 0.000 0.461 244 T N 1.462 116.021 114.554 0.009 0.000 2.840 244 T HA 0.510 4.860 4.350 0.000 0.000 0.276 244 T C 0.044 174.749 174.700 0.007 0.000 0.912 244 T CA -0.085 62.019 62.100 0.006 0.000 1.116 244 T CB -0.419 68.457 68.868 0.012 0.000 0.895 244 T HN 0.590 nan 8.240 nan 0.000 0.570 245 G N 1.822 110.623 108.800 0.001 0.000 2.733 245 G HA2 0.526 4.486 3.960 0.000 0.000 0.297 245 G HA3 0.526 4.486 3.960 0.000 0.000 0.297 245 G C -1.780 173.119 174.900 -0.001 0.000 1.422 245 G CA -0.791 44.311 45.100 0.003 0.000 0.942 245 G HN 0.463 nan 8.290 nan 0.000 0.510 246 D N 1.181 121.583 120.400 0.003 0.000 2.425 246 D HA 0.336 4.976 4.640 0.000 0.000 0.240 246 D C -0.372 175.933 176.300 0.009 0.000 1.080 246 D CA -0.205 53.797 54.000 0.004 0.000 0.836 246 D CB 2.717 43.520 40.800 0.004 0.000 1.125 246 D HN 0.097 nan 8.370 nan 0.000 0.525 247 V N 3.426 123.352 119.914 0.020 0.000 2.385 247 V HA 0.065 4.185 4.120 0.000 0.000 0.269 247 V C 0.926 177.046 176.094 0.043 0.000 1.043 247 V CA -0.446 61.875 62.300 0.035 0.000 0.906 247 V CB 1.500 33.368 31.823 0.076 0.000 0.995 247 V HN 0.419 nan 8.190 nan 0.000 0.467 248 L N 4.831 126.056 121.223 0.003 0.000 2.685 248 L HA 0.400 4.740 4.340 0.000 0.000 0.233 248 L C 1.968 178.780 176.870 -0.098 0.000 1.173 248 L CA 0.901 55.729 54.840 -0.020 0.000 0.961 248 L CB -0.106 41.938 42.059 -0.024 0.000 1.217 248 L HN 0.679 nan 8.230 nan 0.000 0.478 249 G N -0.522 108.176 108.800 -0.170 0.000 2.498 249 G HA2 -0.226 3.734 3.960 0.000 0.000 0.219 249 G HA3 -0.226 3.734 3.960 0.000 0.000 0.219 249 G C -0.121 174.217 174.900 -0.938 0.000 1.119 249 G CA 0.542 45.337 45.100 -0.509 0.000 0.766 249 G HN 0.423 nan 8.290 nan 0.000 0.552 250 Y N -0.025 120.303 120.300 0.048 0.000 2.402 250 Y HA 0.512 5.062 4.550 0.000 0.000 0.325 250 Y C 0.174 176.097 175.900 0.039 0.000 1.009 250 Y CA -1.114 57.019 58.100 0.055 0.000 1.278 250 Y CB 1.455 39.961 38.460 0.077 0.000 1.105 250 Y HN -0.034 nan 8.280 nan 0.000 0.476 251 S N 1.594 117.327 115.700 0.055 0.000 2.528 251 S HA 0.166 4.636 4.470 0.000 0.000 0.277 251 S C 0.724 175.370 174.600 0.077 0.000 1.297 251 S CA -0.136 58.092 58.200 0.048 0.000 1.052 251 S CB 0.690 63.902 63.200 0.020 0.000 0.917 251 S HN 0.636 nan 8.310 nan 0.000 0.492 252 S N 3.594 119.331 115.700 0.062 0.000 2.581 252 S HA 0.258 4.728 4.470 0.000 0.000 0.245 252 S C 0.044 174.670 174.600 0.044 0.000 1.115 252 S CA -0.596 57.630 58.200 0.042 0.000 1.093 252 S CB -0.663 62.553 63.200 0.027 0.000 0.853 252 S HN 0.814 nan 8.310 nan 0.000 0.479 253 S N 1.442 117.185 115.700 0.072 0.000 2.499 253 S HA 0.521 4.991 4.470 0.000 0.000 0.275 253 S C -0.303 174.334 174.600 0.061 0.000 1.257 253 S CA -0.585 57.657 58.200 0.069 0.000 1.050 253 S CB 0.682 63.946 63.200 0.106 0.000 0.937 253 S HN 0.450 nan 8.310 nan 0.000 0.490 254 L N 4.030 125.275 121.223 0.036 0.000 2.435 254 L HA 0.413 4.753 4.340 0.000 0.000 0.253 254 L C -1.067 175.813 176.870 0.016 0.000 1.087 254 L CA -0.632 54.223 54.840 0.025 0.000 0.950 254 L CB 0.140 42.207 42.059 0.012 0.000 1.304 254 L HN 0.699 nan 8.230 nan 0.000 0.453 255 I N -1.880 118.704 120.570 0.024 0.000 2.750 255 I HA 0.622 4.792 4.170 0.000 0.000 0.308 255 I C 0.417 176.531 176.117 -0.006 0.000 1.016 255 I CA -0.998 60.305 61.300 0.005 0.000 1.098 255 I CB 1.406 39.405 38.000 -0.002 0.000 1.279 255 I HN 0.029 nan 8.210 nan 0.000 0.454 256 S N 1.676 117.361 115.700 -0.026 0.000 2.632 256 S HA 0.223 4.693 4.470 0.000 0.000 0.271 256 S C 0.902 175.464 174.600 -0.063 0.000 1.260 256 S CA -0.425 57.753 58.200 -0.037 0.000 1.010 256 S CB 1.117 64.294 63.200 -0.038 0.000 0.965 256 S HN 0.651 nan 8.310 nan 0.000 0.534 257 Q N 1.376 121.130 119.800 -0.076 0.000 2.224 257 Q HA -0.263 4.077 4.340 0.000 0.000 0.213 257 Q C 2.273 178.187 176.000 -0.144 0.000 0.998 257 Q CA 2.003 57.737 55.803 -0.115 0.000 0.895 257 Q CB -0.683 27.971 28.738 -0.140 0.000 0.926 257 Q HN 0.847 nan 8.270 nan 0.000 0.417 258 A N 0.554 123.300 122.820 -0.122 0.000 1.896 258 A HA -0.308 4.012 4.320 0.000 0.000 0.220 258 A C 2.272 179.786 177.584 -0.116 0.000 1.206 258 A CA 2.322 54.291 52.037 -0.114 0.000 0.647 258 A CB -1.291 17.653 19.000 -0.092 0.000 0.828 258 A HN 0.489 nan 8.150 nan 0.000 0.455 259 A N -0.780 121.972 122.820 -0.113 0.000 1.969 259 A HA 0.055 4.375 4.320 0.000 0.000 0.218 259 A C 2.147 179.635 177.584 -0.160 0.000 1.169 259 A CA 1.452 53.422 52.037 -0.112 0.000 0.635 259 A CB -0.547 18.399 19.000 -0.090 0.000 0.810 259 A HN 0.516 nan 8.150 nan 0.000 0.445 260 L N -0.967 120.120 121.223 -0.226 0.000 2.109 260 L HA -0.080 4.260 4.340 0.000 0.000 0.207 260 L C 2.526 179.185 176.870 -0.352 0.000 1.086 260 L CA 0.802 55.398 54.840 -0.407 0.000 0.760 260 L CB -0.582 41.163 42.059 -0.524 0.000 0.910 260 L HN 0.427 nan 8.230 nan 0.000 0.437 261 L N -0.712 120.383 121.223 -0.213 0.000 1.955 261 L HA -0.257 4.083 4.340 0.000 0.000 0.213 261 L C 2.790 179.607 176.870 -0.087 0.000 1.072 261 L CA 1.311 56.064 54.840 -0.145 0.000 0.755 261 L CB -0.123 41.834 42.059 -0.170 0.000 0.888 261 L HN 0.212 nan 8.230 nan 0.000 0.432 262 M N -0.843 118.713 119.600 -0.073 0.000 3.023 262 M HA -0.333 4.147 4.480 0.000 0.000 0.274 262 M C 2.289 178.581 176.300 -0.013 0.000 1.053 262 M CA 2.255 57.543 55.300 -0.021 0.000 1.063 262 M CB -1.656 30.926 32.600 -0.029 0.000 1.223 262 M HN 0.331 nan 8.290 nan 0.000 0.530 263 V N -0.047 119.839 119.914 -0.048 0.000 2.324 263 V HA -0.290 3.830 4.120 0.000 0.000 0.250 263 V C 2.387 178.444 176.094 -0.061 0.000 1.060 263 V CA 2.667 64.944 62.300 -0.039 0.000 1.042 263 V CB -0.491 31.303 31.823 -0.048 0.000 0.650 263 V HN 0.542 nan 8.190 nan 0.000 0.450 264 E N 0.522 120.677 120.200 -0.075 0.000 2.026 264 E HA -0.251 4.099 4.350 0.000 0.000 0.206 264 E C 2.479 179.107 176.600 0.046 0.000 1.028 264 E CA 2.340 58.755 56.400 0.025 0.000 0.845 264 E CB -0.952 28.817 29.700 0.115 0.000 0.772 264 E HN 0.672 nan 8.360 nan 0.000 0.462 265 S N -0.864 114.874 115.700 0.062 0.000 2.365 265 S HA -0.177 4.293 4.470 0.000 0.000 0.225 265 S C 2.140 176.788 174.600 0.080 0.000 1.039 265 S CA 1.882 60.145 58.200 0.105 0.000 1.033 265 S CB -0.650 62.651 63.200 0.169 0.000 0.887 265 S HN 0.178 nan 8.310 nan 0.000 0.447 266 V N 2.149 122.098 119.914 0.059 0.000 2.332 266 V HA -0.232 3.888 4.120 0.000 0.000 0.248 266 V C 2.608 178.706 176.094 0.007 0.000 1.055 266 V CA 2.380 64.707 62.300 0.044 0.000 1.038 266 V CB -0.771 31.087 31.823 0.058 0.000 0.651 266 V HN 0.547 nan 8.190 nan 0.000 0.450 267 M N -0.218 119.352 119.600 -0.050 0.000 2.117 267 M HA -0.219 4.261 4.480 0.000 0.000 0.262 267 M C 1.920 178.192 176.300 -0.047 0.000 1.065 267 M CA 2.147 57.382 55.300 -0.110 0.000 1.114 267 M CB -0.721 31.761 32.600 -0.198 0.000 1.361 267 M HN 0.349 nan 8.290 nan 0.000 0.408 268 D N 0.661 121.062 120.400 0.001 0.000 2.190 268 D HA -0.148 4.492 4.640 0.000 0.000 0.200 268 D C 1.900 178.214 176.300 0.023 0.000 0.992 268 D CA 1.616 55.630 54.000 0.023 0.000 0.854 268 D CB -0.041 40.793 40.800 0.057 0.000 0.936 268 D HN 0.381 nan 8.370 nan 0.000 0.462 269 A N 0.216 123.052 122.820 0.027 0.000 1.854 269 A HA -0.070 4.250 4.320 0.000 0.000 0.214 269 A C 2.142 179.730 177.584 0.006 0.000 1.192 269 A CA 0.716 52.769 52.037 0.026 0.000 0.611 269 A CB -0.846 18.179 19.000 0.043 0.000 0.832 269 A HN 0.165 nan 8.150 nan 0.000 0.442 270 L N -0.622 120.600 121.223 -0.002 0.000 2.064 270 L HA -0.314 4.026 4.340 0.000 0.000 0.216 270 L C 2.871 179.707 176.870 -0.058 0.000 1.077 270 L CA 2.006 56.833 54.840 -0.021 0.000 0.766 270 L CB -0.545 41.505 42.059 -0.015 0.000 0.890 270 L HN 0.375 nan 8.230 nan 0.000 0.435 271 R N -0.267 120.200 120.500 -0.055 0.000 2.073 271 R HA -0.199 4.141 4.340 0.000 0.000 0.234 271 R C 2.018 178.296 176.300 -0.037 0.000 1.134 271 R CA 1.880 57.944 56.100 -0.060 0.000 0.952 271 R CB -0.523 29.756 30.300 -0.036 0.000 0.850 271 R HN 0.354 nan 8.270 nan 0.000 0.433 272 D N 0.190 120.583 120.400 -0.012 0.000 2.178 272 D HA -0.131 4.509 4.640 0.000 0.000 0.201 272 D C 1.324 177.624 176.300 0.000 0.000 0.980 272 D CA 1.322 55.323 54.000 0.003 0.000 0.842 272 D CB 0.011 40.821 40.800 0.017 0.000 0.948 272 D HN 0.185 nan 8.370 nan 0.000 0.472 273 N N -0.118 118.577 118.700 -0.008 0.000 2.084 273 N HA -0.130 4.610 4.740 0.000 0.000 0.190 273 N C 1.767 177.275 175.510 -0.003 0.000 1.030 273 N CA 1.535 54.582 53.050 -0.004 0.000 0.849 273 N CB -0.322 38.164 38.487 -0.002 0.000 1.012 273 N HN 0.220 nan 8.380 nan 0.000 0.423 274 A N 0.902 123.695 122.820 -0.045 0.000 1.948 274 A HA -0.148 4.172 4.320 0.000 0.000 0.220 274 A C 1.730 179.335 177.584 0.036 0.000 1.177 274 A CA 1.446 53.457 52.037 -0.043 0.000 0.636 274 A CB -0.479 18.382 19.000 -0.230 0.000 0.815 274 A HN 0.346 nan 8.150 nan 0.000 0.449 275 N N 0.089 118.801 118.700 0.021 0.000 2.398 275 N HA 0.146 4.886 4.740 0.000 0.000 0.188 275 N C 0.465 175.995 175.510 0.033 0.000 1.122 275 N CA 0.519 53.591 53.050 0.037 0.000 0.866 275 N CB -0.063 38.442 38.487 0.029 0.000 0.970 275 N HN 0.438 nan 8.380 nan 0.000 0.462 276 A N 1.474 124.311 122.820 0.028 0.000 2.526 276 A HA 0.088 4.408 4.320 0.000 0.000 0.267 276 A C 0.502 178.100 177.584 0.022 0.000 1.095 276 A CA 0.366 52.416 52.037 0.021 0.000 0.775 276 A CB 0.025 19.035 19.000 0.017 0.000 1.036 276 A HN 0.091 nan 8.150 nan 0.000 0.510 277 S N 2.099 117.809 115.700 0.016 0.000 2.489 277 S HA 0.558 5.028 4.470 0.000 0.000 0.291 277 S C 1.147 175.748 174.600 0.003 0.000 1.151 277 S CA -0.085 58.123 58.200 0.012 0.000 1.082 277 S CB 1.317 64.526 63.200 0.014 0.000 1.019 277 S HN 1.221 nan 8.310 nan 0.000 0.492 278 A N 3.283 126.103 122.820 -0.000 0.000 1.930 278 A HA 0.072 4.392 4.320 0.000 0.000 0.215 278 A C 1.819 179.396 177.584 -0.012 0.000 1.176 278 A CA 1.402 53.433 52.037 -0.010 0.000 0.632 278 A CB -0.613 18.381 19.000 -0.011 0.000 0.819 278 A HN 1.176 nan 8.150 nan 0.000 0.445 279 S N -1.053 114.643 115.700 -0.006 0.000 2.575 279 S HA 0.211 4.681 4.470 0.000 0.000 0.237 279 S C -0.002 174.596 174.600 -0.003 0.000 0.975 279 S CA -0.021 58.175 58.200 -0.006 0.000 0.960 279 S CB -0.197 63.000 63.200 -0.005 0.000 0.822 279 S HN 0.215 nan 8.310 nan 0.000 0.472 280 T N 3.042 117.596 114.554 0.000 0.000 2.821 280 T HA 0.640 4.990 4.350 0.000 0.000 0.307 280 T C 0.151 174.853 174.700 0.004 0.000 1.034 280 T CA -0.463 61.639 62.100 0.004 0.000 0.953 280 T CB 1.175 70.048 68.868 0.008 0.000 0.968 280 T HN 0.447 nan 8.240 nan 0.000 0.462 281 A N 4.204 127.026 122.820 0.003 0.000 2.524 281 A HA 0.350 4.670 4.320 0.000 0.000 0.271 281 A C 0.566 178.158 177.584 0.013 0.000 1.097 281 A CA -0.226 51.814 52.037 0.005 0.000 0.791 281 A CB -0.564 18.440 19.000 0.006 0.000 1.028 281 A HN 0.716 nan 8.150 nan 0.000 0.518 282 V N 3.847 123.769 119.914 0.013 0.000 2.686 282 V HA 0.133 4.253 4.120 0.000 0.000 0.295 282 V C 1.681 177.796 176.094 0.036 0.000 1.057 282 V CA 0.274 62.587 62.300 0.023 0.000 1.012 282 V CB 1.141 32.975 31.823 0.019 0.000 1.006 282 V HN 1.019 nan 8.190 nan 0.000 0.477 283 T N 3.068 117.657 114.554 0.058 0.000 2.652 283 T HA -0.100 4.250 4.350 0.000 0.000 0.267 283 T C 0.685 175.448 174.700 0.104 0.000 1.039 283 T CA 1.440 63.603 62.100 0.104 0.000 1.153 283 T CB -0.130 68.807 68.868 0.115 0.000 0.863 283 T HN 0.630 nan 8.240 nan 0.000 0.428 284 R N 0.421 120.969 120.500 0.080 0.000 2.502 284 R HA 0.486 4.826 4.340 0.000 0.000 0.300 284 R C 0.524 176.841 176.300 0.028 0.000 0.984 284 R CA -0.412 55.718 56.100 0.049 0.000 0.882 284 R CB 1.697 32.062 30.300 0.107 0.000 1.180 284 R HN 0.099 nan 8.270 nan 0.000 0.444 285 L N 0.760 121.977 121.223 -0.010 0.000 1.933 285 L HA -0.181 4.159 4.340 0.000 0.000 0.220 285 L C 1.089 177.959 176.870 0.000 0.000 1.078 285 L CA 1.359 56.190 54.840 -0.014 0.000 0.773 285 L CB -0.267 41.766 42.059 -0.043 0.000 0.890 285 L HN 0.652 nan 8.230 nan 0.000 0.434 286 D N 0.863 121.252 120.400 -0.018 0.000 2.385 286 D HA -0.049 4.591 4.640 0.000 0.000 0.260 286 D C 0.416 176.738 176.300 0.036 0.000 1.326 286 D CA 0.271 54.263 54.000 -0.014 0.000 1.023 286 D CB 0.618 41.377 40.800 -0.069 0.000 1.083 286 D HN 0.208 nan 8.370 nan 0.000 0.517 287 Q N 1.411 121.262 119.800 0.084 0.000 2.307 287 Q HA 0.072 4.412 4.340 0.000 0.000 0.216 287 Q C -0.102 176.034 176.000 0.228 0.000 0.931 287 Q CA 0.049 55.950 55.803 0.163 0.000 0.953 287 Q CB 0.232 29.048 28.738 0.130 0.000 1.006 287 Q HN 0.198 nan 8.270 nan 0.000 0.472 288 S N -0.786 115.008 115.700 0.157 0.000 2.599 288 S HA 0.588 5.058 4.470 0.000 0.000 0.294 288 S C -1.527 173.115 174.600 0.071 0.000 1.094 288 S CA -0.621 57.690 58.200 0.184 0.000 0.931 288 S CB 0.712 63.974 63.200 0.104 0.000 1.093 288 S HN 0.181 nan 8.310 nan 0.000 0.488 289 Y N 1.876 122.266 120.300 0.149 0.000 2.446 289 Y HA 0.463 5.013 4.550 0.000 0.000 0.338 289 Y C 0.251 176.293 175.900 0.236 0.000 1.055 289 Y CA -0.698 57.513 58.100 0.185 0.000 1.101 289 Y CB 1.241 39.819 38.460 0.197 0.000 1.221 289 Y HN 0.662 nan 8.280 nan 0.000 0.460 290 H N 4.795 124.064 119.070 0.332 0.000 2.476 290 H HA 0.423 4.979 4.556 0.000 0.000 0.328 290 H C -2.934 172.595 175.328 0.335 0.000 1.073 290 H CA -2.694 53.559 56.048 0.341 0.000 1.229 290 H CB 1.979 32.021 29.762 0.466 0.000 1.432 290 H HN 0.355 nan 8.280 nan 0.000 0.477 291 P HA 0.150 nan 4.420 nan 0.000 0.287 291 P C -0.274 177.399 177.300 0.622 0.000 1.270 291 P CA -0.398 62.949 63.100 0.411 0.000 0.844 291 P CB 2.767 34.494 31.700 0.046 0.000 1.068 292 V N 0.383 120.533 119.914 0.392 0.000 3.938 292 V HA 0.092 4.212 4.120 0.000 0.000 0.193 292 V C 1.187 177.499 176.094 0.364 0.000 1.148 292 V CA 1.082 63.613 62.300 0.385 0.000 1.354 292 V CB -1.168 30.771 31.823 0.194 0.000 1.627 292 V HN 0.637 nan 8.190 nan 0.000 0.512 293 T N 0.553 115.229 114.554 0.204 0.000 2.709 293 T HA 0.110 4.460 4.350 0.000 0.000 0.345 293 T C 0.958 175.755 174.700 0.161 0.000 1.086 293 T CA 0.891 63.089 62.100 0.163 0.000 1.084 293 T CB 0.391 69.314 68.868 0.091 0.000 1.000 293 T HN 1.621 nan 8.240 nan 0.000 0.549 294 S N -0.938 114.838 115.700 0.128 0.000 2.450 294 S HA -0.270 4.200 4.470 0.000 0.000 0.248 294 S C 0.702 175.376 174.600 0.123 0.000 1.240 294 S CA 1.239 59.488 58.200 0.081 0.000 1.532 294 S CB -2.794 60.402 63.200 -0.007 0.000 1.941 294 S HN 0.738 nan 8.310 nan 0.000 0.623 295 F N 3.406 123.370 119.950 0.022 0.000 2.619 295 F HA -0.017 4.510 4.527 0.000 0.000 0.298 295 F C 1.650 177.548 175.800 0.164 0.000 1.380 295 F CA 0.367 58.390 58.000 0.038 0.000 1.468 295 F CB -0.340 38.663 39.000 0.004 0.000 1.116 295 F HN 0.277 nan 8.300 nan 0.000 0.566 296 D N -0.135 120.424 120.400 0.265 0.000 2.144 296 D HA -0.070 4.570 4.640 0.000 0.000 0.199 296 D C -1.132 175.257 176.300 0.147 0.000 0.984 296 D CA 0.793 54.892 54.000 0.165 0.000 0.834 296 D CB -1.480 39.377 40.800 0.095 0.000 0.955 296 D HN 0.216 nan 8.370 nan 0.000 0.465 297 P HA 0.141 nan 4.420 nan 0.000 0.275 297 P C 0.439 177.849 177.300 0.183 0.000 1.228 297 P CA 0.061 63.214 63.100 0.089 0.000 0.786 297 P CB 1.309 33.014 31.700 0.009 0.000 0.927 298 S N -0.963 114.771 115.700 0.057 0.000 2.564 298 S HA 0.089 4.559 4.470 0.000 0.000 0.231 298 S C 0.734 175.284 174.600 -0.083 0.000 1.067 298 S CA 0.037 58.254 58.200 0.028 0.000 0.908 298 S CB -0.576 62.599 63.200 -0.040 0.000 0.809 298 S HN 0.580 nan 8.310 nan 0.000 0.491 299 T N 0.213 114.668 114.554 -0.165 0.000 2.929 299 T HA 0.671 5.021 4.350 0.000 0.000 0.284 299 T C -0.598 173.816 174.700 -0.477 0.000 1.014 299 T CA -0.750 61.206 62.100 -0.239 0.000 1.051 299 T CB 0.500 69.339 68.868 -0.047 0.000 1.028 299 T HN 0.078 nan 8.240 nan 0.000 0.485 300 F N 2.221 122.252 119.950 0.134 0.000 2.679 300 F HA 0.316 4.843 4.527 0.000 0.000 0.351 300 F C 1.116 176.927 175.800 0.018 0.000 1.279 300 F CA -0.695 57.382 58.000 0.128 0.000 1.227 300 F CB -0.907 38.269 39.000 0.294 0.000 1.623 300 F HN 0.644 nan 8.300 nan 0.000 0.666 301 N N -0.871 117.805 118.700 -0.040 0.000 2.257 301 N HA 0.016 4.756 4.740 0.000 0.000 0.200 301 N C 0.317 175.791 175.510 -0.060 0.000 1.163 301 N CA 0.100 53.129 53.050 -0.035 0.000 0.891 301 N CB 0.626 39.091 38.487 -0.037 0.000 1.067 301 N HN 0.390 nan 8.380 nan 0.000 0.497 302 T N -2.131 112.381 114.554 -0.070 0.000 2.918 302 T HA 0.291 4.641 4.350 0.000 0.000 0.286 302 T C 0.916 175.576 174.700 -0.067 0.000 1.026 302 T CA -0.760 61.300 62.100 -0.067 0.000 1.031 302 T CB 1.857 70.687 68.868 -0.064 0.000 1.046 302 T HN -0.101 nan 8.240 nan 0.000 0.479 303 L N 1.901 123.087 121.223 -0.063 0.000 2.089 303 L HA -0.035 4.305 4.340 0.000 0.000 0.213 303 L C 2.232 179.083 176.870 -0.033 0.000 1.079 303 L CA 1.717 56.528 54.840 -0.050 0.000 0.758 303 L CB -0.786 41.250 42.059 -0.038 0.000 0.891 303 L HN 0.813 nan 8.230 nan 0.000 0.433 304 L N -1.726 119.464 121.223 -0.056 0.000 2.141 304 L HA -0.188 4.152 4.340 0.000 0.000 0.209 304 L C 2.520 179.343 176.870 -0.078 0.000 1.094 304 L CA 0.778 55.566 54.840 -0.087 0.000 0.763 304 L CB -0.468 41.511 42.059 -0.133 0.000 0.908 304 L HN 0.295 nan 8.230 nan 0.000 0.437 305 Q N -0.027 119.756 119.800 -0.028 0.000 2.062 305 Q HA -0.075 4.265 4.340 0.000 0.000 0.196 305 Q C 2.328 178.609 176.000 0.469 0.000 0.967 305 Q CA 1.305 57.160 55.803 0.086 0.000 0.832 305 Q CB -0.021 28.625 28.738 -0.153 0.000 0.899 305 Q HN 0.269 nan 8.270 nan 0.000 0.442 306 R N -0.334 120.362 120.500 0.326 0.000 2.091 306 R HA -0.096 4.244 4.340 0.000 0.000 0.238 306 R C 2.147 178.570 176.300 0.204 0.000 1.136 306 R CA 1.191 57.449 56.100 0.264 0.000 0.959 306 R CB -0.522 29.740 30.300 -0.063 0.000 0.856 306 R HN 0.240 nan 8.270 nan 0.000 0.437 307 A N 0.962 123.853 122.820 0.119 0.000 1.978 307 A HA -0.214 4.106 4.320 0.000 0.000 0.220 307 A C 2.294 179.918 177.584 0.066 0.000 1.170 307 A CA 2.183 54.269 52.037 0.082 0.000 0.636 307 A CB -0.906 18.111 19.000 0.027 0.000 0.810 307 A HN 0.563 nan 8.150 nan 0.000 0.448 308 T N -2.072 112.537 114.554 0.091 0.000 2.857 308 T HA -0.131 4.219 4.350 0.000 0.000 0.266 308 T C 1.553 176.183 174.700 -0.117 0.000 1.048 308 T CA 1.469 63.575 62.100 0.010 0.000 1.139 308 T CB -0.749 68.186 68.868 0.111 0.000 0.874 308 T HN 0.611 nan 8.240 nan 0.000 0.455 309 N N 1.690 120.393 118.700 0.004 0.000 2.025 309 N HA 0.006 4.746 4.740 0.000 0.000 0.194 309 N C 1.893 177.356 175.510 -0.079 0.000 1.044 309 N CA 1.579 54.564 53.050 -0.108 0.000 0.851 309 N CB -0.584 37.866 38.487 -0.063 0.000 1.036 309 N HN 0.266 nan 8.380 nan 0.000 0.422 310 L N 0.892 122.127 121.223 0.020 0.000 2.010 310 L HA -0.306 4.034 4.340 0.000 0.000 0.219 310 L C 2.605 179.484 176.870 0.015 0.000 1.077 310 L CA 1.528 56.395 54.840 0.045 0.000 0.773 310 L CB -0.862 41.272 42.059 0.124 0.000 0.892 310 L HN 0.258 nan 8.230 nan 0.000 0.436 311 A N -0.139 122.683 122.820 0.002 0.000 1.873 311 A HA -0.266 4.054 4.320 0.000 0.000 0.218 311 A C 2.253 179.801 177.584 -0.061 0.000 1.193 311 A CA 2.212 54.241 52.037 -0.013 0.000 0.629 311 A CB -0.883 18.107 19.000 -0.017 0.000 0.826 311 A HN 0.337 nan 8.150 nan 0.000 0.447 312 L N -0.534 120.604 121.223 -0.142 0.000 2.046 312 L HA -0.094 4.246 4.340 0.000 0.000 0.208 312 L C 2.313 179.123 176.870 -0.101 0.000 1.077 312 L CA 1.612 56.354 54.840 -0.164 0.000 0.747 312 L CB -0.314 41.573 42.059 -0.288 0.000 0.896 312 L HN 0.426 nan 8.230 nan 0.000 0.432 313 L N -1.442 119.731 121.223 -0.083 0.000 2.240 313 L HA -0.050 4.290 4.340 0.000 0.000 0.211 313 L C 2.512 179.377 176.870 -0.007 0.000 1.106 313 L CA 0.745 55.561 54.840 -0.040 0.000 0.793 313 L CB -0.740 41.296 42.059 -0.039 0.000 0.927 313 L HN 0.288 nan 8.230 nan 0.000 0.446 314 A N -0.196 122.623 122.820 -0.001 0.000 1.898 314 A HA -0.080 4.240 4.320 0.000 0.000 0.214 314 A C 2.312 179.902 177.584 0.010 0.000 1.183 314 A CA 1.174 53.220 52.037 0.015 0.000 0.622 314 A CB -0.627 18.389 19.000 0.027 0.000 0.824 314 A HN 0.133 nan 8.150 nan 0.000 0.444 315 V N 0.301 120.217 119.914 0.003 0.000 2.332 315 V HA -0.339 3.781 4.120 0.000 0.000 0.248 315 V C 2.500 178.594 176.094 0.000 0.000 1.055 315 V CA 2.205 64.509 62.300 0.007 0.000 1.038 315 V CB -1.047 30.780 31.823 0.007 0.000 0.651 315 V HN 0.626 nan 8.190 nan 0.000 0.450 316 Q N -0.093 119.694 119.800 -0.021 0.000 2.368 316 Q HA -0.061 4.279 4.340 0.000 0.000 0.210 316 Q C 1.599 177.582 176.000 -0.028 0.000 0.982 316 Q CA 1.028 56.804 55.803 -0.044 0.000 0.884 316 Q CB -0.138 28.563 28.738 -0.062 0.000 0.933 316 Q HN 0.843 nan 8.270 nan 0.000 0.460 317 G N 0.379 109.179 108.800 -0.001 0.000 2.145 317 G HA2 -0.197 3.763 3.960 0.000 0.000 0.176 317 G HA3 -0.197 3.763 3.960 0.000 0.000 0.176 317 G C 0.026 174.956 174.900 0.049 0.000 1.013 317 G CA 0.037 45.148 45.100 0.017 0.000 0.689 317 G HN 0.328 nan 8.290 nan 0.000 0.506 318 V N -2.319 117.622 119.914 0.045 0.000 2.743 318 V HA 0.859 4.979 4.120 0.000 0.000 0.301 318 V C -0.002 176.115 176.094 0.038 0.000 1.057 318 V CA -0.847 61.486 62.300 0.056 0.000 1.006 318 V CB 1.692 33.551 31.823 0.060 0.000 1.024 318 V HN 0.333 nan 8.190 nan 0.000 0.473 319 Q N 2.521 122.345 119.800 0.040 0.000 2.331 319 Q HA 0.521 4.861 4.340 0.000 0.000 0.267 319 Q C -0.105 175.904 176.000 0.014 0.000 1.006 319 Q CA -0.500 55.309 55.803 0.011 0.000 0.818 319 Q CB 2.109 30.855 28.738 0.013 0.000 1.276 319 Q HN 1.075 nan 8.270 nan 0.000 0.450 320 S N 1.310 117.006 115.700 -0.007 0.000 2.600 320 S HA 0.132 4.602 4.470 0.000 0.000 0.265 320 S C 0.507 175.098 174.600 -0.015 0.000 1.325 320 S CA -0.592 57.616 58.200 0.014 0.000 1.002 320 S CB 1.209 64.436 63.200 0.046 0.000 0.921 320 S HN 0.613 nan 8.310 nan 0.000 0.554 321 E N 1.481 121.705 120.200 0.040 0.000 2.223 321 E HA -0.027 4.323 4.350 0.000 0.000 0.267 321 E C 0.541 177.188 176.600 0.077 0.000 0.857 321 E CA 0.870 57.332 56.400 0.103 0.000 1.467 321 E CB -0.417 29.320 29.700 0.062 0.000 0.965 321 E HN 0.857 nan 8.360 nan 0.000 0.591 322 S N 0.923 116.617 115.700 -0.011 0.000 2.571 322 S HA 0.289 4.759 4.470 0.000 0.000 0.297 322 S C -0.073 174.528 174.600 0.002 0.000 1.234 322 S CA -0.546 57.631 58.200 -0.038 0.000 1.120 322 S CB 0.485 63.456 63.200 -0.381 0.000 0.923 322 S HN 0.474 nan 8.310 nan 0.000 0.504 323 A N 3.980 126.769 122.820 -0.051 0.000 2.322 323 A HA 0.595 4.915 4.320 0.000 0.000 0.269 323 A C 0.305 177.897 177.584 0.014 0.000 1.094 323 A CA -0.851 51.136 52.037 -0.083 0.000 0.807 323 A CB -0.025 18.850 19.000 -0.208 0.000 1.047 323 A HN 0.795 nan 8.150 nan 0.000 0.487 324 I N 2.106 122.665 120.570 -0.019 0.000 2.692 324 I HA 0.164 4.334 4.170 0.000 0.000 0.284 324 I C -1.742 174.385 176.117 0.017 0.000 1.159 324 I CA -0.872 60.422 61.300 -0.010 0.000 1.423 324 I CB 0.139 38.085 38.000 -0.090 0.000 1.380 324 I HN 0.425 nan 8.210 nan 0.000 0.580 325 P HA 0.057 nan 4.420 nan 0.000 0.269 325 P C 0.397 177.713 177.300 0.026 0.000 1.215 325 P CA 0.022 63.144 63.100 0.037 0.000 0.780 325 P CB 0.601 32.323 31.700 0.036 0.000 0.898 326 A N 3.067 125.906 122.820 0.030 0.000 1.883 326 A HA -0.237 4.083 4.320 0.000 0.000 0.232 326 A C 0.766 178.372 177.584 0.036 0.000 1.671 326 A CA 2.020 54.077 52.037 0.032 0.000 0.748 326 A CB -1.663 17.356 19.000 0.032 0.000 0.850 326 A HN 0.563 nan 8.150 nan 0.000 0.488 327 I N 0.809 121.400 120.570 0.035 0.000 2.382 327 I HA 0.341 4.511 4.170 0.000 0.000 0.286 327 I C -2.413 173.714 176.117 0.018 0.000 1.002 327 I CA -2.500 58.829 61.300 0.048 0.000 1.135 327 I CB 1.710 39.752 38.000 0.069 0.000 1.288 327 I HN 0.111 nan 8.210 nan 0.000 0.448 328 P HA 0.102 nan 4.420 nan 0.000 0.271 328 P C -0.103 177.167 177.300 -0.051 0.000 1.220 328 P CA -0.224 62.867 63.100 -0.015 0.000 0.768 328 P CB 0.387 32.078 31.700 -0.015 0.000 0.848 329 T N 0.227 114.765 114.554 -0.027 0.000 2.918 329 T HA 0.078 4.428 4.350 0.000 0.000 0.302 329 T C 1.521 176.222 174.700 0.001 0.000 1.045 329 T CA -0.689 61.394 62.100 -0.029 0.000 1.114 329 T CB 0.541 69.400 68.868 -0.014 0.000 0.965 329 T HN 0.383 nan 8.240 nan 0.000 0.540 330 M N 2.080 121.696 119.600 0.027 0.000 2.089 330 M HA -0.212 4.268 4.480 0.000 0.000 0.257 330 M C 2.485 178.881 176.300 0.160 0.000 1.071 330 M CA 2.748 58.141 55.300 0.156 0.000 1.096 330 M CB -0.962 31.724 32.600 0.143 0.000 1.330 330 M HN 1.017 nan 8.290 nan 0.000 0.403 331 S N -0.277 115.477 115.700 0.089 0.000 2.378 331 S HA -0.285 4.185 4.470 0.000 0.000 0.229 331 S C 1.458 176.109 174.600 0.085 0.000 1.052 331 S CA 2.379 60.622 58.200 0.073 0.000 1.084 331 S CB -0.934 62.285 63.200 0.032 0.000 0.950 331 S HN 0.646 nan 8.310 nan 0.000 0.440 332 D N 0.227 120.671 120.400 0.073 0.000 2.149 332 D HA 0.023 4.663 4.640 0.000 0.000 0.201 332 D C 1.955 178.329 176.300 0.124 0.000 0.972 332 D CA 1.068 55.126 54.000 0.097 0.000 0.835 332 D CB -0.017 40.828 40.800 0.076 0.000 0.966 332 D HN 0.362 nan 8.370 nan 0.000 0.476 333 V N 0.382 120.344 119.914 0.079 0.000 2.295 333 V HA -0.191 3.929 4.120 0.000 0.000 0.246 333 V C 2.446 178.616 176.094 0.127 0.000 1.049 333 V CA 1.494 63.834 62.300 0.065 0.000 1.024 333 V CB -0.528 31.274 31.823 -0.035 0.000 0.648 333 V HN 0.184 nan 8.190 nan 0.000 0.447 334 R N -0.204 120.380 120.500 0.141 0.000 2.120 334 R HA -0.151 4.189 4.340 0.000 0.000 0.234 334 R C 2.645 179.036 176.300 0.153 0.000 1.123 334 R CA 1.545 57.746 56.100 0.169 0.000 0.975 334 R CB -0.322 30.096 30.300 0.196 0.000 0.866 334 R HN 0.508 nan 8.270 nan 0.000 0.446 335 S N -0.102 115.693 115.700 0.159 0.000 2.348 335 S HA -0.173 4.297 4.470 0.000 0.000 0.221 335 S C 1.613 176.328 174.600 0.192 0.000 1.033 335 S CA 1.296 59.593 58.200 0.162 0.000 1.010 335 S CB -0.332 62.974 63.200 0.176 0.000 0.891 335 S HN 0.445 nan 8.310 nan 0.000 0.442 336 F N 1.879 121.870 119.950 0.068 0.000 2.146 336 F HA -0.054 4.473 4.527 0.000 0.000 0.298 336 F C 2.064 177.893 175.800 0.048 0.000 1.096 336 F CA 1.398 59.435 58.000 0.061 0.000 1.275 336 F CB -0.440 38.592 39.000 0.054 0.000 1.008 336 F HN 0.039 nan 8.300 nan 0.000 0.480 337 V N 0.674 120.751 119.914 0.272 0.000 2.287 337 V HA -0.340 3.780 4.120 0.000 0.000 0.248 337 V C 2.764 178.874 176.094 0.027 0.000 1.053 337 V CA 1.848 64.221 62.300 0.122 0.000 1.027 337 V CB -1.629 30.270 31.823 0.128 0.000 0.646 337 V HN 0.487 nan 8.190 nan 0.000 0.447 338 A N 0.255 123.108 122.820 0.054 0.000 1.940 338 A HA -0.258 4.062 4.320 0.000 0.000 0.219 338 A C 2.350 179.935 177.584 0.002 0.000 1.176 338 A CA 2.048 54.106 52.037 0.035 0.000 0.631 338 A CB -0.492 18.546 19.000 0.063 0.000 0.814 338 A HN 0.585 nan 8.150 nan 0.000 0.446 339 R N -1.089 119.395 120.500 -0.028 0.000 2.081 339 R HA -0.083 4.257 4.340 0.000 0.000 0.235 339 R C 2.108 178.346 176.300 -0.102 0.000 1.131 339 R CA 1.371 57.427 56.100 -0.072 0.000 0.960 339 R CB -0.657 29.588 30.300 -0.091 0.000 0.856 339 R HN 0.477 nan 8.270 nan 0.000 0.436 340 L N 0.562 121.665 121.223 -0.199 0.000 2.083 340 L HA -0.051 4.289 4.340 0.000 0.000 0.209 340 L C 1.220 178.037 176.870 -0.088 0.000 1.083 340 L CA 1.668 56.418 54.840 -0.150 0.000 0.752 340 L CB -0.159 41.757 42.059 -0.239 0.000 0.899 340 L HN 0.116 nan 8.230 nan 0.000 0.433 341 M N 0.518 120.064 119.600 -0.091 0.000 3.435 341 M HA 0.263 4.743 4.480 0.000 0.000 0.205 341 M C 0.442 176.711 176.300 -0.051 0.000 1.324 341 M CA 0.160 55.395 55.300 -0.108 0.000 1.455 341 M CB -1.816 30.744 32.600 -0.066 0.000 1.240 341 M HN 0.353 nan 8.290 nan 0.000 0.477 342 A N 0.131 122.957 122.820 0.009 0.000 3.521 342 A HA 0.787 5.107 4.320 0.000 0.000 0.181 342 A C 0.118 177.858 177.584 0.260 0.000 1.386 342 A CA -0.459 51.641 52.037 0.106 0.000 0.873 342 A CB 1.205 20.269 19.000 0.107 0.000 1.634 342 A HN 0.327 nan 8.150 nan 0.000 0.551 343 E N -0.847 119.541 120.200 0.314 0.000 2.244 343 E HA 0.593 4.943 4.350 0.000 0.000 0.266 343 E C -0.323 176.403 176.600 0.209 0.000 0.914 343 E CA 0.105 56.734 56.400 0.383 0.000 0.794 343 E CB 1.607 31.416 29.700 0.182 0.000 1.210 343 E HN 1.608 nan 8.360 nan 0.000 0.414 344 G N 2.121 110.966 108.800 0.076 0.000 2.535 344 G HA2 -0.000 3.960 3.960 0.000 0.000 0.662 344 G HA3 -0.000 3.960 3.960 0.000 0.000 0.662 344 G C -1.560 173.023 174.900 -0.527 0.000 1.417 344 G CA -0.934 44.045 45.100 -0.201 0.000 0.866 344 G HN 0.379 nan 8.290 nan 0.000 0.647 345 D N 1.980 122.239 120.400 -0.235 0.000 2.362 345 D HA 0.537 5.177 4.640 0.000 0.000 0.247 345 D C -1.773 174.476 176.300 -0.086 0.000 1.050 345 D CA -0.747 53.212 54.000 -0.068 0.000 0.839 345 D CB 2.323 43.260 40.800 0.228 0.000 1.283 345 D HN 0.229 nan 8.370 nan 0.000 0.477 346 P HA -0.024 nan 4.420 nan 0.000 0.272 346 P C 0.472 177.465 177.300 -0.513 0.000 1.243 346 P CA 0.053 62.812 63.100 -0.569 0.000 0.803 346 P CB 1.147 32.291 31.700 -0.928 0.000 0.974 347 Q N -0.711 118.717 119.800 -0.619 0.000 2.287 347 Q HA -0.021 4.319 4.340 0.000 0.000 0.201 347 Q C 0.167 175.840 176.000 -0.546 0.000 0.946 347 Q CA 0.579 56.093 55.803 -0.482 0.000 0.868 347 Q CB 0.242 28.620 28.738 -0.599 0.000 0.967 347 Q HN 0.376 nan 8.270 nan 0.000 0.516 348 Q N 1.124 120.616 119.800 -0.514 0.000 2.490 348 Q HA 0.078 4.418 4.340 0.000 0.000 0.226 348 Q C -1.193 174.544 176.000 -0.438 0.000 1.132 348 Q CA -0.025 55.627 55.803 -0.251 0.000 0.928 348 Q CB 0.046 28.828 28.738 0.074 0.000 1.299 348 Q HN 0.236 nan 8.270 nan 0.000 0.528 349 W N 3.029 124.441 121.300 0.186 0.000 1.716 349 W HA 0.356 5.016 4.660 0.000 0.000 0.389 349 W C 0.604 177.388 176.519 0.441 0.000 1.745 349 W CA -0.312 57.217 57.345 0.306 0.000 1.911 349 W CB 0.287 29.892 29.460 0.241 0.000 1.416 349 W HN 0.444 nan 8.180 nan 0.000 0.750 350 F N -1.861 118.346 119.950 0.429 0.000 2.665 350 F HA 0.626 5.153 4.527 0.000 0.000 0.308 350 F C -3.031 172.966 175.800 0.327 0.000 1.112 350 F CA -3.066 55.130 58.000 0.325 0.000 0.972 350 F CB 0.401 39.563 39.000 0.270 0.000 1.295 350 F HN -0.060 nan 8.300 nan 0.000 0.440 351 P HA 0.233 nan 4.420 nan 0.000 0.282 351 P C -0.463 176.707 177.300 -0.217 0.000 1.249 351 P CA -0.400 62.585 63.100 -0.191 0.000 0.806 351 P CB 0.506 32.232 31.700 0.044 0.000 0.984 352 Y N 0.822 120.840 120.300 -0.469 0.000 2.578 352 Y HA 0.068 4.618 4.550 0.000 0.000 0.297 352 Y C 1.773 177.592 175.900 -0.136 0.000 1.176 352 Y CA 0.485 58.297 58.100 -0.480 0.000 1.315 352 Y CB -0.428 37.561 38.460 -0.784 0.000 1.031 352 Y HN 0.290 nan 8.280 nan 0.000 0.524 353 R N -0.734 119.816 120.500 0.084 0.000 2.300 353 R HA 0.248 4.588 4.340 0.000 0.000 0.199 353 R C -0.466 175.951 176.300 0.196 0.000 0.920 353 R CA 0.161 56.333 56.100 0.119 0.000 1.046 353 R CB 0.653 30.985 30.300 0.053 0.000 0.984 353 R HN 0.027 nan 8.270 nan 0.000 0.493 354 V N -0.668 119.409 119.914 0.272 0.000 3.147 354 V HA 0.285 4.405 4.120 0.000 0.000 0.299 354 V C -1.806 174.452 176.094 0.273 0.000 1.302 354 V CA -1.049 61.426 62.300 0.292 0.000 1.015 354 V CB 2.553 34.568 31.823 0.319 0.000 1.086 354 V HN -0.074 nan 8.190 nan 0.000 0.437 355 D N 3.112 123.617 120.400 0.176 0.000 2.177 355 D HA 0.518 5.158 4.640 0.000 0.000 0.247 355 D C -0.715 175.602 176.300 0.028 0.000 1.063 355 D CA -0.134 53.905 54.000 0.064 0.000 0.867 355 D CB 1.597 42.371 40.800 -0.042 0.000 1.168 355 D HN 0.428 nan 8.370 nan 0.000 0.445 356 Q N 2.205 122.004 119.800 -0.001 0.000 2.401 356 Q HA 0.362 4.702 4.340 0.000 0.000 0.260 356 Q C -0.734 175.162 176.000 -0.174 0.000 1.034 356 Q CA -0.651 55.081 55.803 -0.119 0.000 0.737 356 Q CB 1.650 30.401 28.738 0.023 0.000 1.227 356 Q HN 0.336 nan 8.270 nan 0.000 0.488 357 I N 2.932 123.298 120.570 -0.340 0.000 2.388 357 I HA 0.127 4.297 4.170 0.000 0.000 0.281 357 I C -0.141 175.738 176.117 -0.397 0.000 1.046 357 I CA -0.894 60.247 61.300 -0.264 0.000 1.187 357 I CB 0.860 38.853 38.000 -0.012 0.000 1.351 357 I HN 0.379 nan 8.210 nan 0.000 0.472 358 L N 6.620 127.643 121.223 -0.333 0.000 4.639 358 L HA -0.297 4.043 4.340 0.000 0.000 0.580 358 L C 0.910 177.515 176.870 -0.442 0.000 0.983 358 L CA 1.152 55.740 54.840 -0.420 0.000 0.510 358 L CB -0.397 41.423 42.059 -0.399 0.000 0.381 358 L HN 0.691 nan 8.230 nan 0.000 1.152 359 Y N 2.605 122.647 120.300 -0.429 0.000 2.224 359 Y HA -0.112 4.438 4.550 0.000 0.000 0.289 359 Y C 1.003 176.824 175.900 -0.132 0.000 1.146 359 Y CA 0.488 58.371 58.100 -0.361 0.000 1.182 359 Y CB -0.851 37.482 38.460 -0.212 0.000 0.983 359 Y HN 0.624 nan 8.280 nan 0.000 0.524 360 W N 6.807 127.978 121.300 -0.216 0.000 2.774 360 W HA 0.231 4.891 4.660 0.000 0.000 0.353 360 W C -2.078 174.288 176.519 -0.256 0.000 1.373 360 W CA -3.350 53.809 57.345 -0.311 0.000 1.432 360 W CB 0.417 29.435 29.460 -0.736 0.000 1.545 360 W HN 0.013 nan 8.180 nan 0.000 0.531 361 P HA -0.141 nan 4.420 nan 0.000 0.262 361 P C 0.546 177.426 177.300 -0.700 0.000 1.647 361 P CA 0.729 63.559 63.100 -0.451 0.000 0.865 361 P CB 0.101 31.672 31.700 -0.216 0.000 1.834 362 E N 0.817 120.359 120.200 -1.097 0.000 2.051 362 E HA -0.038 4.312 4.350 0.000 0.000 0.189 362 E C 0.152 176.501 176.600 -0.418 0.000 0.979 362 E CA 0.318 56.189 56.400 -0.882 0.000 0.803 362 E CB 0.026 29.056 29.700 -1.118 0.000 0.761 362 E HN 0.256 nan 8.360 nan 0.000 0.451 363 S N 3.196 118.706 115.700 -0.317 0.000 2.563 363 S HA -0.009 4.461 4.470 0.000 0.000 0.294 363 S C -1.746 172.803 174.600 -0.085 0.000 1.279 363 S CA -0.534 57.585 58.200 -0.135 0.000 1.069 363 S CB 0.741 63.905 63.200 -0.059 0.000 0.828 363 S HN 0.299 nan 8.310 nan 0.000 0.497 364 P HA 0.061 nan 4.420 nan 0.000 0.256 364 P C 0.024 177.303 177.300 -0.035 0.000 1.335 364 P CA -0.313 62.749 63.100 -0.063 0.000 0.808 364 P CB -0.408 31.252 31.700 -0.068 0.000 1.305 365 F N 2.937 122.792 119.950 -0.159 0.000 2.355 365 F HA -0.079 4.448 4.527 0.000 0.000 0.365 365 F C 1.222 176.894 175.800 -0.213 0.000 1.075 365 F CA -0.319 57.581 58.000 -0.167 0.000 0.959 365 F CB -0.234 38.679 39.000 -0.144 0.000 0.913 365 F HN -0.132 nan 8.300 nan 0.000 0.539 366 V N 4.347 124.010 119.914 -0.418 0.000 4.096 366 V HA 0.117 4.237 4.120 0.000 0.000 0.290 366 V C -2.077 173.668 176.094 -0.582 0.000 1.025 366 V CA -0.917 61.135 62.300 -0.413 0.000 1.064 366 V CB -0.621 31.004 31.823 -0.329 0.000 1.187 366 V HN 0.658 nan 8.190 nan 0.000 0.462 367 P HA 0.434 nan 4.420 nan 0.000 0.253 367 P C -2.639 174.485 177.300 -0.294 0.000 1.667 367 P CA -1.429 61.474 63.100 -0.328 0.000 1.118 367 P CB 0.250 31.866 31.700 -0.140 0.000 1.595 368 P HA 0.227 nan 4.420 nan 0.000 0.277 368 P C 1.151 178.432 177.300 -0.031 0.000 1.240 368 P CA -0.489 62.503 63.100 -0.180 0.000 0.798 368 P CB 1.245 32.809 31.700 -0.226 0.000 0.979 369 I N 1.385 122.038 120.570 0.139 0.000 2.091 369 I HA -0.207 3.963 4.170 0.000 0.000 0.239 369 I C 2.378 178.527 176.117 0.053 0.000 1.061 369 I CA 2.726 64.147 61.300 0.203 0.000 1.317 369 I CB -1.400 36.853 38.000 0.423 0.000 1.031 369 I HN 0.634 nan 8.210 nan 0.000 0.401 370 G N -0.291 108.341 108.800 -0.280 0.000 2.645 370 G HA2 0.160 4.120 3.960 0.000 0.000 0.207 370 G HA3 0.160 4.120 3.960 0.000 0.000 0.207 370 G C -1.755 172.985 174.900 -0.265 0.000 1.145 370 G CA 0.120 44.920 45.100 -0.501 0.000 0.831 370 G HN 0.262 nan 8.290 nan 0.000 0.563 371 P HA 0.082 nan 4.420 nan 0.000 0.261 371 P C 0.313 177.726 177.300 0.187 0.000 1.183 371 P CA -0.299 62.829 63.100 0.046 0.000 0.761 371 P CB 0.490 32.287 31.700 0.162 0.000 0.785 372 F N 5.195 125.226 119.950 0.134 0.000 2.009 372 F HA -0.020 4.507 4.527 0.000 0.000 0.293 372 F C 0.482 176.439 175.800 0.261 0.000 1.156 372 F CA 1.385 59.478 58.000 0.155 0.000 1.168 372 F CB -0.400 38.647 39.000 0.078 0.000 0.981 372 F HN 0.308 nan 8.300 nan 0.000 0.475 373 Y N -0.883 118.036 120.300 -2.302 0.000 2.738 373 Y HA 0.430 4.980 4.550 0.000 0.000 0.322 373 Y C 0.080 175.123 175.900 -1.428 0.000 1.570 373 Y CA -1.184 55.630 58.100 -2.142 0.000 1.091 373 Y CB -0.200 37.277 38.460 -1.637 0.000 3.334 373 Y HN 0.501 nan 8.280 nan 0.000 0.320 374 A N 2.208 123.716 122.820 -2.186 0.000 2.738 374 A HA -0.005 4.315 4.320 0.000 0.000 0.276 374 A C -2.640 174.692 177.584 -0.421 0.000 1.795 374 A CA 0.652 52.025 52.037 -1.107 0.000 1.940 374 A CB -1.689 16.840 19.000 -0.785 0.000 1.258 374 A HN 0.301 nan 8.150 nan 0.000 0.567 375 P HA 0.226 nan 4.420 nan 0.000 0.271 375 P C 0.361 177.718 177.300 0.096 0.000 1.216 375 P CA -0.033 63.106 63.100 0.066 0.000 0.771 375 P CB 0.072 31.942 31.700 0.283 0.000 0.864 376 F N 0.984 121.030 119.950 0.159 0.000 2.411 376 F HA -0.147 4.380 4.527 0.000 0.000 0.299 376 F C 1.579 177.368 175.800 -0.018 0.000 1.077 376 F CA 1.112 59.134 58.000 0.037 0.000 1.439 376 F CB -0.091 38.881 39.000 -0.047 0.000 1.085 376 F HN 0.219 nan 8.300 nan 0.000 0.564 377 R N 0.495 121.107 120.500 0.186 0.000 2.412 377 R HA 0.307 4.647 4.340 0.000 0.000 0.304 377 R C -2.956 173.301 176.300 -0.072 0.000 1.066 377 R CA -1.881 54.268 56.100 0.082 0.000 0.923 377 R CB 1.121 31.518 30.300 0.162 0.000 1.156 377 R HN -0.241 nan 8.270 nan 0.000 0.513 378 P HA 0.082 nan 4.420 nan 0.000 0.286 378 P C -0.207 176.986 177.300 -0.178 0.000 1.321 378 P CA -0.190 62.331 63.100 -0.966 0.000 0.790 378 P CB 1.513 32.696 31.700 -0.860 0.000 0.897 379 V N 3.190 123.222 119.914 0.197 0.000 5.985 379 V HA 0.413 4.533 4.120 0.000 0.000 0.167 379 V C 0.334 176.592 176.094 0.274 0.000 1.424 379 V CA -0.009 62.444 62.300 0.255 0.000 1.184 379 V CB 0.058 32.068 31.823 0.312 0.000 1.929 379 V HN 0.465 nan 8.190 nan 0.000 0.348 380 N N 0.151 119.061 118.700 0.350 0.000 2.929 380 N HA 0.382 5.122 4.740 0.000 0.000 0.245 380 N C -1.945 173.741 175.510 0.293 0.000 1.081 380 N CA -0.199 53.026 53.050 0.291 0.000 1.048 380 N CB 2.281 40.856 38.487 0.148 0.000 1.629 380 N HN 0.551 nan 8.380 nan 0.000 0.598 381 F N 1.009 120.877 119.950 -0.137 0.000 2.704 381 F HA 0.596 5.123 4.527 0.000 0.000 0.312 381 F C -2.844 172.514 175.800 -0.737 0.000 1.108 381 F CA -1.228 56.529 58.000 -0.405 0.000 1.005 381 F CB 0.794 39.525 39.000 -0.448 0.000 1.277 381 F HN 0.082 nan 8.300 nan 0.000 0.445 382 P HA 0.425 nan 4.420 nan 0.000 0.269 382 P C -1.373 175.387 177.300 -0.899 0.000 1.215 382 P CA 0.362 63.170 63.100 -0.486 0.000 0.780 382 P CB 0.909 32.469 31.700 -0.233 0.000 0.898 383 F N -1.372 118.298 119.950 -0.468 0.000 2.745 383 F HA 0.661 5.188 4.527 0.000 0.000 0.316 383 F C 0.364 175.817 175.800 -0.578 0.000 1.155 383 F CA -0.454 57.196 58.000 -0.583 0.000 0.937 383 F CB 1.842 40.179 39.000 -1.106 0.000 1.361 383 F HN 0.301 nan 8.300 nan 0.000 0.472 384 T N -0.585 113.889 114.554 -0.132 0.000 2.717 384 T HA 0.482 4.832 4.350 0.000 0.000 0.315 384 T C -1.817 173.063 174.700 0.300 0.000 1.746 384 T CA -0.593 61.542 62.100 0.058 0.000 1.001 384 T CB 1.455 70.344 68.868 0.034 0.000 1.673 384 T HN 0.681 nan 8.240 nan 0.000 0.498 385 T N 1.115 115.845 114.554 0.294 0.000 2.855 385 T HA 0.800 5.150 4.350 0.000 0.000 0.281 385 T C -0.095 174.690 174.700 0.142 0.000 1.007 385 T CA -0.498 61.735 62.100 0.222 0.000 1.009 385 T CB 1.526 70.507 68.868 0.189 0.000 0.983 385 T HN 1.080 nan 8.240 nan 0.000 0.455 386 G N 1.161 110.035 108.800 0.123 0.000 2.476 386 G HA2 0.477 4.437 3.960 0.000 0.000 0.309 386 G HA3 0.477 4.437 3.960 0.000 0.000 0.309 386 G C -0.619 174.348 174.900 0.111 0.000 1.575 386 G CA -0.887 44.276 45.100 0.106 0.000 0.913 386 G HN 0.854 nan 8.290 nan 0.000 0.623 387 S N 0.695 116.457 115.700 0.104 0.000 2.617 387 S HA 0.612 5.082 4.470 0.000 0.000 0.269 387 S C -0.209 174.499 174.600 0.180 0.000 1.292 387 S CA -0.685 57.592 58.200 0.128 0.000 1.010 387 S CB 1.495 64.756 63.200 0.102 0.000 0.944 387 S HN 0.998 nan 8.310 nan 0.000 0.536 388 Y N 2.081 122.405 120.300 0.040 0.000 2.336 388 Y HA 0.328 4.878 4.550 0.000 0.000 0.335 388 Y C 0.792 176.713 175.900 0.034 0.000 1.046 388 Y CA -0.483 57.640 58.100 0.038 0.000 1.198 388 Y CB 0.518 38.999 38.460 0.036 0.000 1.182 388 Y HN 0.898 nan 8.280 nan 0.000 0.502 389 T N 3.910 118.328 114.554 -0.226 0.000 2.759 389 T HA 0.109 4.459 4.350 0.000 0.000 0.273 389 T C 0.036 174.483 174.700 -0.421 0.000 0.938 389 T CA -0.724 61.217 62.100 -0.265 0.000 1.197 389 T CB -0.611 68.140 68.868 -0.195 0.000 0.887 389 T HN 0.482 nan 8.240 nan 0.000 0.540 390 V N 5.404 125.250 119.914 -0.113 0.000 2.304 390 V HA 0.060 4.180 4.120 0.000 0.000 0.239 390 V C 0.581 176.653 176.094 -0.036 0.000 1.201 390 V CA -0.313 61.983 62.300 -0.006 0.000 1.254 390 V CB -1.034 30.855 31.823 0.111 0.000 1.335 390 V HN 0.805 nan 8.190 nan 0.000 0.491 391 V N 6.918 126.774 119.914 -0.097 0.000 2.364 391 V HA 0.303 4.423 4.120 0.000 0.000 0.272 391 V C -1.587 174.517 176.094 0.018 0.000 1.036 391 V CA -1.703 60.567 62.300 -0.050 0.000 0.880 391 V CB 1.060 32.830 31.823 -0.089 0.000 0.991 391 V HN 0.641 nan 8.190 nan 0.000 0.460 392 P HA 0.017 nan 4.420 nan 0.000 0.267 392 P C -0.305 177.044 177.300 0.081 0.000 1.201 392 P CA -0.222 62.918 63.100 0.067 0.000 0.775 392 P CB 0.303 32.033 31.700 0.049 0.000 0.854 393 D N 1.118 121.587 120.400 0.116 0.000 2.402 393 D HA 0.167 4.807 4.640 0.000 0.000 0.268 393 D C -0.321 176.017 176.300 0.064 0.000 1.294 393 D CA 0.111 54.187 54.000 0.125 0.000 0.945 393 D CB -0.202 40.660 40.800 0.104 0.000 1.112 393 D HN 0.352 nan 8.370 nan 0.000 0.517 394 A N 3.486 126.339 122.820 0.054 0.000 2.415 394 A HA 0.288 4.608 4.320 0.000 0.000 0.309 394 A C 1.152 178.738 177.584 0.003 0.000 1.356 394 A CA -0.353 51.693 52.037 0.016 0.000 0.998 394 A CB 0.025 19.021 19.000 -0.007 0.000 1.145 394 A HN 0.596 nan 8.150 nan 0.000 0.545 395 S N 1.565 117.265 115.700 0.000 0.000 2.881 395 S HA 0.118 4.588 4.470 0.000 0.000 0.228 395 S C 0.469 175.057 174.600 -0.020 0.000 0.965 395 S CA -0.031 58.164 58.200 -0.008 0.000 0.998 395 S CB -0.713 62.484 63.200 -0.004 0.000 0.795 395 S HN 0.783 nan 8.310 nan 0.000 0.518 396 R N -0.187 120.294 120.500 -0.030 0.000 2.561 396 R HA 0.650 4.990 4.340 0.000 0.000 0.297 396 R C -3.506 172.749 176.300 -0.074 0.000 0.969 396 R CA -2.698 53.373 56.100 -0.047 0.000 0.879 396 R CB -0.429 29.848 30.300 -0.038 0.000 1.178 396 R HN -0.109 nan 8.270 nan 0.000 0.445 397 P HA -0.056 nan 4.420 nan 0.000 0.265 397 P C -0.930 176.299 177.300 -0.118 0.000 1.187 397 P CA -0.186 62.833 63.100 -0.136 0.000 0.766 397 P CB 0.575 32.161 31.700 -0.189 0.000 0.820 398 L N 4.117 125.256 121.223 -0.139 0.000 2.333 398 L HA 0.412 4.752 4.340 0.000 0.000 0.280 398 L C 0.291 177.216 176.870 0.091 0.000 1.004 398 L CA -0.890 53.898 54.840 -0.087 0.000 0.820 398 L CB 1.279 43.187 42.059 -0.252 0.000 1.247 398 L HN 0.153 nan 8.230 nan 0.000 0.416 399 R N 3.174 123.752 120.500 0.129 0.000 2.590 399 R HA 0.450 4.790 4.340 0.000 0.000 0.274 399 R C -1.014 175.442 176.300 0.259 0.000 1.061 399 R CA -0.032 56.174 56.100 0.176 0.000 1.081 399 R CB 0.363 30.704 30.300 0.068 0.000 0.984 399 R HN 0.496 nan 8.270 nan 0.000 0.448 400 L N 3.959 125.214 121.223 0.054 0.000 2.372 400 L HA 0.385 4.725 4.340 0.000 0.000 0.273 400 L C -1.450 175.271 176.870 -0.248 0.000 0.989 400 L CA -0.828 53.835 54.840 -0.295 0.000 0.841 400 L CB 1.456 43.089 42.059 -0.710 0.000 1.225 400 L HN 0.497 nan 8.230 nan 0.000 0.414 401 L N 8.515 129.602 121.223 -0.226 0.000 2.433 401 L HA 0.442 4.782 4.340 0.000 0.000 0.284 401 L C -1.994 174.685 176.870 -0.318 0.000 1.120 401 L CA -1.155 53.559 54.840 -0.209 0.000 0.879 401 L CB 0.078 42.051 42.059 -0.143 0.000 1.232 401 L HN 0.495 nan 8.230 nan 0.000 0.454 402 P HA 0.054 nan 4.420 nan 0.000 0.256 402 P C -0.764 175.946 177.300 -0.984 0.000 1.688 402 P CA -0.255 62.473 63.100 -0.620 0.000 1.162 402 P CB 0.108 31.432 31.700 -0.628 0.000 1.870 403 Q N 2.879 122.332 119.800 -0.579 0.000 2.289 403 Q HA 0.066 4.406 4.340 0.000 0.000 0.273 403 Q C -0.861 174.905 176.000 -0.391 0.000 1.029 403 Q CA 0.158 55.725 55.803 -0.393 0.000 0.896 403 Q CB 0.040 28.665 28.738 -0.188 0.000 1.182 403 Q HN 0.357 nan 8.270 nan 0.000 0.385 404 Y N 2.423 122.701 120.300 -0.037 0.000 2.352 404 Y HA 0.438 4.988 4.550 0.000 0.000 0.326 404 Y C 0.729 176.619 175.900 -0.017 0.000 1.166 404 Y CA -0.610 57.478 58.100 -0.020 0.000 1.182 404 Y CB 1.169 39.633 38.460 0.007 0.000 1.216 404 Y HN 0.452 nan 8.280 nan 0.000 0.474 405 R N 2.741 123.347 120.500 0.176 0.000 2.637 405 R HA 0.218 4.558 4.340 0.000 0.000 0.291 405 R C 0.486 176.846 176.300 0.099 0.000 0.963 405 R CA -0.704 55.452 56.100 0.093 0.000 0.901 405 R CB 0.837 31.166 30.300 0.048 0.000 1.160 405 R HN 0.961 nan 8.270 nan 0.000 0.457 406 N N 2.358 121.092 118.700 0.057 0.000 2.735 406 N HA -0.105 4.635 4.740 0.000 0.000 0.200 406 N C -0.756 174.789 175.510 0.057 0.000 1.383 406 N CA 0.313 53.390 53.050 0.044 0.000 0.939 406 N CB 0.141 38.633 38.487 0.008 0.000 1.074 406 N HN 0.411 nan 8.380 nan 0.000 0.449 407 A N 0.950 123.812 122.820 0.071 0.000 2.322 407 A HA 0.364 4.684 4.320 0.000 0.000 0.327 407 A C 0.288 177.921 177.584 0.082 0.000 1.394 407 A CA -0.719 51.357 52.037 0.065 0.000 0.921 407 A CB 0.221 19.249 19.000 0.046 0.000 1.153 407 A HN 0.324 nan 8.150 nan 0.000 0.523 408 T N 1.258 115.869 114.554 0.095 0.000 3.145 408 T HA 0.454 4.804 4.350 0.000 0.000 0.362 408 T C -0.015 174.715 174.700 0.050 0.000 1.340 408 T CA -0.416 61.748 62.100 0.108 0.000 1.069 408 T CB -0.416 68.591 68.868 0.232 0.000 1.129 408 T HN 0.369 nan 8.240 nan 0.000 0.585 409 I N 4.740 125.324 120.570 0.024 0.000 2.775 409 I HA 0.101 4.271 4.170 0.000 0.000 0.290 409 I C 1.187 177.293 176.117 -0.019 0.000 1.203 409 I CA 0.642 61.947 61.300 0.008 0.000 1.433 409 I CB 0.736 38.745 38.000 0.014 0.000 1.354 409 I HN 0.837 nan 8.210 nan 0.000 0.579 410 T N 4.625 119.174 114.554 -0.008 0.000 2.871 410 T HA 0.094 4.445 4.350 0.000 0.000 0.296 410 T C 1.576 176.266 174.700 -0.016 0.000 0.998 410 T CA -0.520 61.571 62.100 -0.015 0.000 1.162 410 T CB 0.365 69.232 68.868 -0.002 0.000 0.947 410 T HN 0.418 nan 8.240 nan 0.000 0.536 411 V N 3.527 123.424 119.914 -0.030 0.000 2.252 411 V HA -0.363 3.757 4.120 0.000 0.000 0.255 411 V C 2.979 179.076 176.094 0.005 0.000 1.071 411 V CA 2.506 64.793 62.300 -0.022 0.000 1.050 411 V CB -1.284 30.520 31.823 -0.032 0.000 0.654 411 V HN 1.051 nan 8.190 nan 0.000 0.448 412 Q N 0.791 120.593 119.800 0.003 0.000 2.112 412 Q HA -0.280 4.060 4.340 0.000 0.000 0.206 412 Q C 1.897 177.909 176.000 0.019 0.000 0.987 412 Q CA 2.417 58.225 55.803 0.009 0.000 0.858 412 Q CB -0.929 27.810 28.738 0.002 0.000 0.905 412 Q HN 0.613 nan 8.270 nan 0.000 0.420 413 Q N 0.526 120.338 119.800 0.020 0.000 2.046 413 Q HA 0.074 4.414 4.340 0.000 0.000 0.200 413 Q C 2.134 178.163 176.000 0.048 0.000 0.975 413 Q CA 2.152 57.972 55.803 0.029 0.000 0.836 413 Q CB -0.928 27.823 28.738 0.022 0.000 0.896 413 Q HN 0.474 nan 8.270 nan 0.000 0.428 414 A N 1.034 123.881 122.820 0.045 0.000 1.881 414 A HA -0.314 4.006 4.320 0.000 0.000 0.219 414 A C 1.938 179.609 177.584 0.144 0.000 1.215 414 A CA 2.207 54.284 52.037 0.067 0.000 0.648 414 A CB -1.180 17.838 19.000 0.030 0.000 0.832 414 A HN 0.548 nan 8.150 nan 0.000 0.455 415 D N -0.561 119.925 120.400 0.143 0.000 2.087 415 D HA -0.195 4.445 4.640 0.000 0.000 0.192 415 D C 1.734 178.095 176.300 0.101 0.000 0.993 415 D CA 1.548 55.655 54.000 0.179 0.000 0.828 415 D CB -0.595 40.250 40.800 0.076 0.000 0.968 415 D HN 0.579 nan 8.370 nan 0.000 0.448 416 D N 0.937 121.368 120.400 0.051 0.000 2.204 416 D HA -0.246 4.394 4.640 0.000 0.000 0.189 416 D C 1.921 178.265 176.300 0.074 0.000 1.006 416 D CA 2.066 56.089 54.000 0.038 0.000 0.855 416 D CB 0.008 40.823 40.800 0.025 0.000 0.946 416 D HN 0.125 nan 8.370 nan 0.000 0.448 417 A N -0.297 122.586 122.820 0.105 0.000 1.930 417 A HA -0.198 4.122 4.320 0.000 0.000 0.217 417 A C 2.174 179.871 177.584 0.189 0.000 1.175 417 A CA 1.576 53.685 52.037 0.120 0.000 0.627 417 A CB -1.107 17.950 19.000 0.096 0.000 0.815 417 A HN 0.590 nan 8.150 nan 0.000 0.443 418 Y N 1.180 121.501 120.300 0.035 0.000 2.097 418 Y HA -0.236 4.314 4.550 0.000 0.000 0.282 418 Y C 1.922 177.850 175.900 0.046 0.000 1.152 418 Y CA 2.078 60.201 58.100 0.040 0.000 1.136 418 Y CB -0.974 37.499 38.460 0.023 0.000 0.975 418 Y HN 0.489 nan 8.280 nan 0.000 0.498 419 E N 0.052 120.327 120.200 0.125 0.000 2.130 419 E HA -0.229 4.121 4.350 0.000 0.000 0.196 419 E C 1.835 178.474 176.600 0.065 0.000 0.998 419 E CA 1.418 57.814 56.400 -0.008 0.000 0.806 419 E CB -0.167 29.485 29.700 -0.079 0.000 0.738 419 E HN 0.616 nan 8.360 nan 0.000 0.459 420 D N -0.392 120.064 120.400 0.092 0.000 2.117 420 D HA -0.109 4.531 4.640 0.000 0.000 0.198 420 D C 2.072 178.457 176.300 0.142 0.000 0.982 420 D CA 1.922 55.975 54.000 0.090 0.000 0.828 420 D CB -0.171 40.672 40.800 0.072 0.000 0.967 420 D HN 0.317 nan 8.370 nan 0.000 0.464 421 T N -1.799 112.873 114.554 0.196 0.000 3.014 421 T HA 0.400 4.750 4.350 0.000 0.000 0.250 421 T C 0.995 175.851 174.700 0.260 0.000 1.060 421 T CA -0.060 62.200 62.100 0.267 0.000 1.040 421 T CB 0.206 69.215 68.868 0.234 0.000 0.971 421 T HN 0.106 nan 8.240 nan 0.000 0.497 422 A N 1.860 124.820 122.820 0.232 0.000 2.567 422 A HA 0.443 4.763 4.320 0.000 0.000 0.240 422 A C 1.265 178.954 177.584 0.175 0.000 1.053 422 A CA -0.315 51.850 52.037 0.213 0.000 0.755 422 A CB -0.122 19.014 19.000 0.227 0.000 0.978 422 A HN 0.451 nan 8.150 nan 0.000 0.507 423 L N 3.165 124.477 121.223 0.148 0.000 2.270 423 L HA 0.092 4.432 4.340 0.000 0.000 0.210 423 L C 1.354 178.271 176.870 0.078 0.000 1.104 423 L CA 1.227 56.131 54.840 0.106 0.000 0.804 423 L CB -0.395 41.723 42.059 0.099 0.000 0.937 423 L HN 0.575 nan 8.230 nan 0.000 0.450 424 S N 2.087 117.849 115.700 0.103 0.000 2.558 424 S HA 0.149 4.619 4.470 0.000 0.000 0.288 424 S C -2.105 172.526 174.600 0.052 0.000 1.318 424 S CA -0.708 57.537 58.200 0.075 0.000 1.056 424 S CB -0.147 63.117 63.200 0.106 0.000 0.853 424 S HN 0.337 nan 8.310 nan 0.000 0.505 425 P HA 0.469 nan 4.420 nan 0.000 0.274 425 P C -1.027 176.267 177.300 -0.010 0.000 1.231 425 P CA -0.520 62.587 63.100 0.013 0.000 0.790 425 P CB 0.680 32.383 31.700 0.006 0.000 0.951 426 L N 2.140 123.351 121.223 -0.021 0.000 2.518 426 L HA 0.353 4.693 4.340 0.000 0.000 0.257 426 L C -1.020 175.822 176.870 -0.046 0.000 0.980 426 L CA -1.109 53.692 54.840 -0.065 0.000 0.837 426 L CB 1.591 43.554 42.059 -0.159 0.000 1.410 426 L HN 0.260 nan 8.230 nan 0.000 0.410 427 I N 0.653 121.191 120.570 -0.054 0.000 2.460 427 I HA 0.307 4.477 4.170 0.000 0.000 0.297 427 I C 0.664 176.757 176.117 -0.041 0.000 1.139 427 I CA -0.131 61.146 61.300 -0.038 0.000 1.340 427 I CB -0.416 37.577 38.000 -0.012 0.000 1.444 427 I HN 0.629 nan 8.210 nan 0.000 0.557 428 T N 2.390 116.899 114.554 -0.075 0.000 2.736 428 T HA 0.049 4.399 4.350 0.000 0.000 0.275 428 T C 0.578 175.146 174.700 -0.220 0.000 0.962 428 T CA -0.480 61.546 62.100 -0.125 0.000 1.214 428 T CB -1.116 67.621 68.868 -0.218 0.000 0.904 428 T HN 0.685 nan 8.240 nan 0.000 0.529 429 T N 5.222 119.742 114.554 -0.057 0.000 2.736 429 T HA -0.026 4.324 4.350 0.000 0.000 0.275 429 T C 1.496 176.138 174.700 -0.096 0.000 0.962 429 T CA -0.259 61.830 62.100 -0.018 0.000 1.214 429 T CB 0.004 68.916 68.868 0.073 0.000 0.904 429 T HN 0.640 nan 8.240 nan 0.000 0.529 430 H N 2.923 121.964 119.070 -0.049 0.000 2.289 430 H HA -0.088 4.468 4.556 0.000 0.000 0.296 430 H C 2.001 177.311 175.328 -0.030 0.000 1.091 430 H CA 1.551 57.551 56.048 -0.080 0.000 1.274 430 H CB -0.484 29.104 29.762 -0.289 0.000 1.364 430 H HN 0.950 nan 8.280 nan 0.000 0.490 431 G N 0.583 109.323 108.800 -0.100 0.000 2.498 431 G HA2 -0.259 3.701 3.960 0.000 0.000 0.251 431 G HA3 -0.259 3.701 3.960 0.000 0.000 0.251 431 G C -0.683 173.541 174.900 -1.128 0.000 1.170 431 G CA 0.111 45.051 45.100 -0.266 0.000 0.944 431 G HN 0.266 nan 8.290 nan 0.000 0.567 432 F N -0.056 119.853 119.950 -0.068 0.000 2.507 432 F HA 0.565 5.092 4.527 0.000 0.000 0.325 432 F C 1.411 176.800 175.800 -0.683 0.000 1.116 432 F CA 0.023 57.852 58.000 -0.285 0.000 0.930 432 F CB 1.748 40.672 39.000 -0.126 0.000 1.146 432 F HN 0.729 nan 8.300 nan 0.000 0.447 433 C N 2.093 120.900 119.300 -0.821 0.000 2.429 433 C HA 0.116 4.576 4.460 0.000 0.000 0.277 433 C C 0.645 175.438 174.990 -0.330 0.000 1.262 433 C CA 0.668 59.224 59.018 -0.770 0.000 1.733 433 C CB -0.522 26.852 27.740 -0.610 0.000 2.010 433 C HN 0.452 nan 8.230 nan 0.000 0.483 434 V N 0.727 120.491 119.914 -0.249 0.000 2.638 434 V HA 0.422 4.542 4.120 0.000 0.000 0.306 434 V C -0.262 175.814 176.094 -0.029 0.000 1.052 434 V CA -0.093 62.110 62.300 -0.162 0.000 0.885 434 V CB 1.848 33.476 31.823 -0.325 0.000 0.999 434 V HN 0.429 nan 8.190 nan 0.000 0.424 435 T N -0.375 114.178 114.554 -0.002 0.000 3.250 435 T HA 0.695 5.045 4.350 0.000 0.000 0.391 435 T C 0.172 174.866 174.700 -0.010 0.000 1.502 435 T CA -0.150 61.945 62.100 -0.009 0.000 1.320 435 T CB 0.569 69.453 68.868 0.026 0.000 1.102 435 T HN 1.866 nan 8.240 nan 0.000 0.610 436 G N 0.577 109.361 108.800 -0.027 0.000 2.673 436 G HA2 0.356 4.316 3.960 0.000 0.000 0.566 436 G HA3 0.356 4.316 3.960 0.000 0.000 0.566 436 G C -0.067 174.838 174.900 0.009 0.000 1.170 436 G CA -0.589 44.510 45.100 -0.002 0.000 1.242 436 G HN 1.034 nan 8.290 nan 0.000 0.568 437 G N 0.113 108.917 108.800 0.007 0.000 3.986 437 G HA2 0.676 4.636 3.960 0.000 0.000 0.343 437 G HA3 0.676 4.636 3.960 0.000 0.000 0.343 437 G C -0.334 174.601 174.900 0.058 0.000 1.413 437 G CA -0.325 44.791 45.100 0.026 0.000 1.143 437 G HN 1.387 nan 8.290 nan 0.000 0.488 438 V N 1.814 121.784 119.914 0.094 0.000 2.532 438 V HA 0.722 4.842 4.120 0.000 0.000 0.294 438 V C -1.115 175.124 176.094 0.242 0.000 1.036 438 V CA -0.858 61.511 62.300 0.115 0.000 0.876 438 V CB 1.062 32.929 31.823 0.074 0.000 1.012 438 V HN 0.513 nan 8.190 nan 0.000 0.432 439 F N 1.891 121.825 119.950 -0.026 0.000 2.744 439 F HA 0.649 5.176 4.527 0.000 0.000 0.311 439 F C -0.593 175.161 175.800 -0.077 0.000 1.144 439 F CA -0.179 57.798 58.000 -0.038 0.000 0.938 439 F CB 2.338 41.329 39.000 -0.016 0.000 1.292 439 F HN 0.373 nan 8.300 nan 0.000 0.444 440 T N 2.821 117.330 114.554 -0.074 0.000 2.892 440 T HA 0.486 4.836 4.350 0.000 0.000 0.311 440 T C -1.314 173.302 174.700 -0.141 0.000 1.033 440 T CA -0.293 61.722 62.100 -0.142 0.000 0.991 440 T CB 0.476 69.191 68.868 -0.255 0.000 0.981 440 T HN 0.519 nan 8.240 nan 0.000 0.457 441 S N 5.219 120.917 115.700 -0.003 0.000 2.404 441 S HA 0.391 4.861 4.470 0.000 0.000 0.309 441 S C 0.420 174.980 174.600 -0.066 0.000 1.076 441 S CA -0.779 57.420 58.200 -0.001 0.000 1.095 441 S CB -0.436 62.799 63.200 0.058 0.000 0.972 441 S HN 0.761 nan 8.310 nan 0.000 0.484 442 I N 1.336 121.829 120.570 -0.128 0.000 2.634 442 I HA 0.476 4.646 4.170 0.000 0.000 0.284 442 I C -0.803 175.371 176.117 0.097 0.000 1.124 442 I CA -0.432 60.821 61.300 -0.077 0.000 1.417 442 I CB -0.214 37.710 38.000 -0.126 0.000 1.396 442 I HN 0.396 nan 8.210 nan 0.000 0.571 443 Y N 2.697 122.995 120.300 -0.003 0.000 2.425 443 Y HA 0.698 5.248 4.550 0.000 0.000 0.344 443 Y C -0.831 175.118 175.900 0.081 0.000 0.969 443 Y CA -0.711 57.403 58.100 0.023 0.000 1.052 443 Y CB 1.996 40.472 38.460 0.028 0.000 1.215 443 Y HN 0.658 nan 8.280 nan 0.000 0.451 444 D N 1.483 121.979 120.400 0.160 0.000 2.753 444 D HA 0.314 4.954 4.640 0.000 0.000 0.224 444 D C -1.087 175.134 176.300 -0.131 0.000 1.213 444 D CA -0.766 53.234 54.000 -0.000 0.000 0.833 444 D CB 2.255 43.100 40.800 0.075 0.000 1.607 444 D HN 0.365 nan 8.370 nan 0.000 0.463 445 I N 1.781 122.161 120.570 -0.318 0.000 3.110 445 I HA 0.177 4.347 4.170 0.000 0.000 0.305 445 I C -0.421 175.620 176.117 -0.127 0.000 1.232 445 I CA 1.282 62.428 61.300 -0.258 0.000 1.431 445 I CB 0.118 37.895 38.000 -0.371 0.000 1.320 445 I HN 0.522 nan 8.210 nan 0.000 0.583 446 S N 3.509 119.155 115.700 -0.089 0.000 2.556 446 S HA 0.427 4.897 4.470 0.000 0.000 0.280 446 S C 0.033 174.620 174.600 -0.023 0.000 1.141 446 S CA -0.433 57.741 58.200 -0.044 0.000 0.883 446 S CB 0.772 63.946 63.200 -0.043 0.000 1.103 446 S HN 0.980 nan 8.310 nan 0.000 0.453 447 G N 0.232 109.033 108.800 0.000 0.000 3.229 447 G HA2 0.189 4.149 3.960 0.000 0.000 0.214 447 G HA3 0.189 4.149 3.960 0.000 0.000 0.214 447 G C -0.099 174.817 174.900 0.027 0.000 1.256 447 G CA 0.161 45.271 45.100 0.016 0.000 1.042 447 G HN 0.753 nan 8.290 nan 0.000 0.497 448 D N -0.165 120.243 120.400 0.013 0.000 2.366 448 D HA 0.086 4.726 4.640 0.000 0.000 0.205 448 D C -1.744 174.597 176.300 0.068 0.000 1.022 448 D CA -0.178 53.833 54.000 0.018 0.000 0.868 448 D CB 0.181 40.958 40.800 -0.039 0.000 0.953 448 D HN 0.271 nan 8.370 nan 0.000 0.514 449 P HA 0.055 nan 4.420 nan 0.000 0.276 449 P C 0.202 177.656 177.300 0.258 0.000 1.264 449 P CA 0.361 63.607 63.100 0.244 0.000 0.769 449 P CB 1.782 33.583 31.700 0.168 0.000 0.840 450 T N 1.259 116.029 114.554 0.360 0.000 3.156 450 T HA 0.305 4.655 4.350 0.000 0.000 0.236 450 T C 1.042 175.737 174.700 -0.008 0.000 0.978 450 T CA 0.312 62.489 62.100 0.129 0.000 1.240 450 T CB -0.065 68.858 68.868 0.091 0.000 0.951 450 T HN 0.339 nan 8.240 nan 0.000 0.420 451 A N 0.922 123.565 122.820 -0.295 0.000 3.297 451 A HA 0.629 4.949 4.320 0.000 0.000 0.304 451 A C -1.262 175.938 177.584 -0.641 0.000 0.963 451 A CA -0.744 51.071 52.037 -0.369 0.000 0.935 451 A CB -0.337 18.464 19.000 -0.331 0.000 1.093 451 A HN 0.530 nan 8.150 nan 0.000 0.480 452 Y N 1.065 121.377 120.300 0.021 0.000 2.686 452 Y HA 0.414 4.964 4.550 0.000 0.000 0.331 452 Y C -2.482 173.382 175.900 -0.059 0.000 0.996 452 Y CA -3.037 55.053 58.100 -0.017 0.000 1.293 452 Y CB 0.890 39.337 38.460 -0.022 0.000 1.092 452 Y HN 0.351 nan 8.280 nan 0.000 0.524 453 P HA 0.247 nan 4.420 nan 0.000 0.282 453 P C -2.153 174.974 177.300 -0.289 0.000 1.287 453 P CA -1.813 61.124 63.100 -0.272 0.000 0.792 453 P CB 1.406 33.001 31.700 -0.175 0.000 1.163 454 P HA -0.266 nan 4.420 nan 0.000 0.220 454 P C 1.488 178.758 177.300 -0.050 0.000 1.155 454 P CA 2.691 65.696 63.100 -0.157 0.000 0.880 454 P CB -0.862 30.756 31.700 -0.136 0.000 0.790 455 A N -0.399 122.382 122.820 -0.064 0.000 2.139 455 A HA -0.250 4.070 4.320 0.000 0.000 0.221 455 A C 2.313 179.899 177.584 0.003 0.000 1.159 455 A CA 1.591 53.616 52.037 -0.020 0.000 0.662 455 A CB -1.067 17.918 19.000 -0.026 0.000 0.796 455 A HN 0.221 nan 8.150 nan 0.000 0.463 456 Q N -0.174 119.629 119.800 0.006 0.000 2.212 456 Q HA 0.072 4.412 4.340 0.000 0.000 0.199 456 Q C 0.320 176.356 176.000 0.060 0.000 0.950 456 Q CA 0.375 56.208 55.803 0.049 0.000 0.863 456 Q CB -0.165 28.633 28.738 0.100 0.000 0.944 456 Q HN 0.602 nan 8.270 nan 0.000 0.465 457 L N 2.832 124.084 121.223 0.047 0.000 2.485 457 L HA 0.106 4.446 4.340 0.000 0.000 0.279 457 L C -0.346 176.605 176.870 0.134 0.000 1.124 457 L CA -0.518 54.365 54.840 0.073 0.000 0.888 457 L CB 1.001 43.101 42.059 0.067 0.000 1.217 457 L HN -0.133 nan 8.230 nan 0.000 0.464 458 V N 2.637 122.638 119.914 0.143 0.000 2.425 458 V HA -0.055 4.065 4.120 0.000 0.000 0.276 458 V C 0.449 176.703 176.094 0.266 0.000 1.017 458 V CA -0.254 62.153 62.300 0.178 0.000 1.062 458 V CB 0.474 32.392 31.823 0.158 0.000 0.997 458 V HN 0.614 nan 8.190 nan 0.000 0.476 459 D N 4.406 124.929 120.400 0.204 0.000 2.425 459 D HA 0.394 5.034 4.640 0.000 0.000 0.247 459 D C 0.706 177.097 176.300 0.151 0.000 1.147 459 D CA 0.574 54.700 54.000 0.211 0.000 0.879 459 D CB 1.187 42.069 40.800 0.135 0.000 1.179 459 D HN 0.949 nan 8.370 nan 0.000 0.456 460 A N 4.613 127.537 122.820 0.173 0.000 2.627 460 A HA -0.026 4.294 4.320 0.000 0.000 0.227 460 A C -1.871 175.650 177.584 -0.106 0.000 1.068 460 A CA -0.428 51.567 52.037 -0.070 0.000 0.825 460 A CB -0.508 18.504 19.000 0.021 0.000 0.938 460 A HN 0.542 nan 8.150 nan 0.000 0.488 461 P HA 0.001 nan 4.420 nan 0.000 0.256 461 P C 0.294 177.627 177.300 0.054 0.000 1.189 461 P CA 0.185 63.250 63.100 -0.058 0.000 0.808 461 P CB 0.118 31.800 31.700 -0.029 0.000 0.793 462 N N 2.157 120.881 118.700 0.040 0.000 2.586 462 N HA -0.123 4.617 4.740 0.000 0.000 0.206 462 N C -0.345 175.198 175.510 0.055 0.000 1.377 462 N CA 0.445 53.525 53.050 0.051 0.000 0.871 462 N CB -0.438 38.066 38.487 0.028 0.000 1.107 462 N HN 0.406 nan 8.380 nan 0.000 0.462 463 D N -3.626 116.825 120.400 0.086 0.000 2.412 463 D HA -0.059 4.581 4.640 0.000 0.000 0.326 463 D C 0.845 177.172 176.300 0.045 0.000 1.209 463 D CA -0.538 53.496 54.000 0.057 0.000 0.876 463 D CB -1.007 39.806 40.800 0.021 0.000 1.344 463 D HN 0.024 nan 8.370 nan 0.000 0.503 464 Y N 0.951 121.265 120.300 0.022 0.000 2.556 464 Y HA 0.145 4.695 4.550 0.000 0.000 0.290 464 Y C -0.502 175.299 175.900 -0.165 0.000 1.149 464 Y CA 0.497 58.545 58.100 -0.087 0.000 1.329 464 Y CB -0.115 38.246 38.460 -0.165 0.000 0.975 464 Y HN -0.069 nan 8.280 nan 0.000 0.561 465 F N 0.526 120.315 119.950 -0.267 0.000 2.434 465 F HA 0.294 4.821 4.527 0.000 0.000 0.367 465 F C -0.606 175.087 175.800 -0.179 0.000 1.093 465 F CA -0.980 56.873 58.000 -0.246 0.000 1.085 465 F CB 1.003 39.879 39.000 -0.206 0.000 1.322 465 F HN -0.195 nan 8.300 nan 0.000 0.452 466 D N 0.971 121.337 120.400 -0.056 0.000 2.964 466 D HA 0.438 5.078 4.640 0.000 0.000 0.234 466 D C 0.948 177.199 176.300 -0.083 0.000 1.223 466 D CA -0.498 53.465 54.000 -0.063 0.000 0.889 466 D CB 1.364 42.115 40.800 -0.082 0.000 1.609 466 D HN 0.199 nan 8.370 nan 0.000 0.523 467 R N 1.566 122.030 120.500 -0.060 0.000 2.261 467 R HA -0.289 4.051 4.340 0.000 0.000 0.241 467 R C 1.525 177.772 176.300 -0.088 0.000 1.113 467 R CA 2.310 58.369 56.100 -0.068 0.000 0.908 467 R CB -0.581 29.685 30.300 -0.057 0.000 0.938 467 R HN 0.562 nan 8.270 nan 0.000 0.427 468 E N -0.115 120.038 120.200 -0.077 0.000 2.077 468 E HA -0.118 4.232 4.350 0.000 0.000 0.193 468 E C 2.011 178.555 176.600 -0.094 0.000 0.989 468 E CA 1.403 57.760 56.400 -0.072 0.000 0.800 468 E CB 0.016 29.689 29.700 -0.046 0.000 0.746 468 E HN 0.231 nan 8.360 nan 0.000 0.452 469 R N -0.662 119.761 120.500 -0.130 0.000 2.096 469 R HA -0.110 4.230 4.340 0.000 0.000 0.235 469 R C 2.186 178.365 176.300 -0.200 0.000 1.127 469 R CA 1.419 57.404 56.100 -0.192 0.000 0.968 469 R CB -0.213 29.914 30.300 -0.289 0.000 0.861 469 R HN 0.287 nan 8.270 nan 0.000 0.440 470 M N 0.102 119.599 119.600 -0.171 0.000 2.086 470 M HA -0.069 4.411 4.480 0.000 0.000 0.261 470 M C 2.508 178.757 176.300 -0.086 0.000 1.067 470 M CA 1.546 56.771 55.300 -0.124 0.000 1.116 470 M CB -1.230 31.316 32.600 -0.091 0.000 1.348 470 M HN 0.136 nan 8.290 nan 0.000 0.407 471 A N 0.295 123.052 122.820 -0.104 0.000 1.917 471 A HA -0.235 4.085 4.320 0.000 0.000 0.219 471 A C 2.370 179.974 177.584 0.033 0.000 1.182 471 A CA 2.033 54.006 52.037 -0.106 0.000 0.633 471 A CB -0.755 18.128 19.000 -0.194 0.000 0.819 471 A HN 0.387 nan 8.150 nan 0.000 0.448 472 R N 0.107 120.607 120.500 0.001 0.000 2.096 472 R HA -0.142 4.198 4.340 0.000 0.000 0.240 472 R C 2.205 178.521 176.300 0.026 0.000 1.139 472 R CA 2.181 58.291 56.100 0.017 0.000 0.952 472 R CB -0.637 29.622 30.300 -0.069 0.000 0.854 472 R HN 0.594 nan 8.270 nan 0.000 0.436 473 R N 0.047 120.536 120.500 -0.019 0.000 2.092 473 R HA -0.127 4.213 4.340 0.000 0.000 0.231 473 R C 2.055 178.415 176.300 0.100 0.000 1.119 473 R CA 1.885 57.986 56.100 0.002 0.000 0.970 473 R CB -0.333 29.949 30.300 -0.031 0.000 0.864 473 R HN 0.393 nan 8.270 nan 0.000 0.440 474 D N -0.142 120.326 120.400 0.113 0.000 2.084 474 D HA -0.200 4.440 4.640 0.000 0.000 0.194 474 D C 1.839 178.293 176.300 0.258 0.000 0.990 474 D CA 1.003 55.102 54.000 0.164 0.000 0.826 474 D CB -0.034 40.867 40.800 0.169 0.000 0.971 474 D HN 0.078 nan 8.370 nan 0.000 0.453 475 L N -0.307 121.145 121.223 0.381 0.000 1.997 475 L HA -0.175 4.165 4.340 0.000 0.000 0.216 475 L C 2.088 179.150 176.870 0.321 0.000 1.074 475 L CA 1.893 56.990 54.840 0.428 0.000 0.763 475 L CB -1.074 41.251 42.059 0.443 0.000 0.890 475 L HN 0.263 nan 8.230 nan 0.000 0.434 476 F N -0.132 119.877 119.950 0.098 0.000 2.113 476 F HA -0.203 4.324 4.527 0.000 0.000 0.297 476 F C 2.600 178.428 175.800 0.047 0.000 1.103 476 F CA 1.616 59.643 58.000 0.046 0.000 1.248 476 F CB -0.186 38.833 39.000 0.033 0.000 0.999 476 F HN 0.002 nan 8.300 nan 0.000 0.475 477 R N -0.074 120.633 120.500 0.346 0.000 2.115 477 R HA -0.222 4.118 4.340 0.000 0.000 0.239 477 R C 2.292 178.662 176.300 0.117 0.000 1.133 477 R CA 1.742 57.961 56.100 0.197 0.000 0.935 477 R CB -0.471 29.916 30.300 0.144 0.000 0.853 477 R HN 0.127 nan 8.270 nan 0.000 0.433 478 R N 0.789 121.342 120.500 0.088 0.000 2.134 478 R HA -0.148 4.192 4.340 0.000 0.000 0.248 478 R C 1.836 178.190 176.300 0.090 0.000 1.143 478 R CA 1.368 57.479 56.100 0.019 0.000 0.957 478 R CB -0.891 29.328 30.300 -0.135 0.000 0.867 478 R HN 0.319 nan 8.270 nan 0.000 0.441 479 L N 1.005 122.252 121.223 0.040 0.000 2.779 479 L HA 0.167 4.507 4.340 0.000 0.000 0.239 479 L C 0.189 177.135 176.870 0.126 0.000 1.245 479 L CA -0.141 54.622 54.840 -0.128 0.000 1.064 479 L CB -0.085 41.783 42.059 -0.319 0.000 1.350 479 L HN -0.072 nan 8.230 nan 0.000 0.455 480 R N 1.304 121.997 120.500 0.321 0.000 2.695 480 R HA 0.464 4.804 4.340 0.000 0.000 0.288 480 R C -1.261 175.107 176.300 0.112 0.000 1.344 480 R CA -0.128 56.090 56.100 0.197 0.000 1.005 480 R CB 1.127 31.413 30.300 -0.024 0.000 1.233 480 R HN 0.026 nan 8.270 nan 0.000 0.442 481 A N 5.768 128.516 122.820 -0.120 0.000 2.394 481 A HA 0.535 4.855 4.320 0.000 0.000 0.333 481 A C -1.955 175.502 177.584 -0.211 0.000 1.397 481 A CA -0.982 50.954 52.037 -0.169 0.000 0.884 481 A CB 0.738 19.614 19.000 -0.207 0.000 1.147 481 A HN 0.725 nan 8.150 nan 0.000 0.505 482 P HA 0.232 nan 4.420 nan 0.000 0.225 482 P C 1.033 178.311 177.300 -0.038 0.000 1.142 482 P CA 1.190 64.246 63.100 -0.072 0.000 0.894 482 P CB 0.513 32.189 31.700 -0.040 0.000 0.895 483 A N 0.436 123.247 122.820 -0.015 0.000 4.488 483 A HA -0.235 4.085 4.320 0.000 0.000 0.251 483 A C 0.952 178.549 177.584 0.023 0.000 0.621 483 A CA 2.131 54.174 52.037 0.010 0.000 1.120 483 A CB -2.657 16.348 19.000 0.009 0.000 1.151 483 A HN 0.334 nan 8.150 nan 0.000 0.664 484 D N -0.382 120.028 120.400 0.016 0.000 3.085 484 D HA 0.296 4.936 4.640 0.000 0.000 0.243 484 D C 1.509 177.829 176.300 0.033 0.000 1.232 484 D CA 0.084 54.100 54.000 0.027 0.000 0.913 484 D CB -0.064 40.748 40.800 0.021 0.000 1.108 484 D HN 0.676 nan 8.370 nan 0.000 0.468 485 R N -0.069 120.456 120.500 0.042 0.000 2.066 485 R HA -0.104 4.236 4.340 0.000 0.000 0.232 485 R C 2.302 178.642 176.300 0.066 0.000 1.131 485 R CA 1.351 57.483 56.100 0.052 0.000 0.955 485 R CB -0.144 30.192 30.300 0.060 0.000 0.851 485 R HN 0.141 nan 8.270 nan 0.000 0.432 486 S N 0.826 116.572 115.700 0.077 0.000 2.419 486 S HA -0.099 4.371 4.470 0.000 0.000 0.233 486 S C 2.118 176.762 174.600 0.074 0.000 1.016 486 S CA 0.968 59.224 58.200 0.094 0.000 0.974 486 S CB -0.176 63.080 63.200 0.092 0.000 0.786 486 S HN 0.396 nan 8.310 nan 0.000 0.492 487 A N 2.306 125.160 122.820 0.056 0.000 1.843 487 A HA 0.189 4.509 4.320 0.000 0.000 0.213 487 A C 2.170 179.769 177.584 0.024 0.000 1.202 487 A CA 1.116 53.182 52.037 0.048 0.000 0.607 487 A CB -0.842 18.184 19.000 0.044 0.000 0.847 487 A HN 0.476 nan 8.150 nan 0.000 0.445 488 I N 0.031 120.610 120.570 0.015 0.000 2.194 488 I HA -0.351 3.819 4.170 0.000 0.000 0.246 488 I C 2.439 178.527 176.117 -0.049 0.000 1.093 488 I CA 1.765 63.061 61.300 -0.007 0.000 1.355 488 I CB -0.430 37.572 38.000 0.003 0.000 1.046 488 I HN 0.286 nan 8.210 nan 0.000 0.413 489 K N 0.793 121.172 120.400 -0.034 0.000 2.001 489 K HA -0.263 4.057 4.320 0.000 0.000 0.223 489 K C 1.806 178.279 176.600 -0.212 0.000 1.055 489 K CA 2.363 58.603 56.287 -0.077 0.000 0.965 489 K CB -0.420 32.125 32.500 0.075 0.000 0.730 489 K HN 0.379 nan 8.250 nan 0.000 0.449 490 D N -0.247 120.045 120.400 -0.180 0.000 2.149 490 D HA -0.089 4.551 4.640 0.000 0.000 0.201 490 D C 2.050 178.018 176.300 -0.554 0.000 0.972 490 D CA 0.811 54.508 54.000 -0.505 0.000 0.835 490 D CB -0.166 40.493 40.800 -0.236 0.000 0.966 490 D HN 0.173 nan 8.370 nan 0.000 0.476 491 R N 0.766 121.191 120.500 -0.125 0.000 2.083 491 R HA -0.097 4.243 4.340 0.000 0.000 0.237 491 R C 2.333 178.602 176.300 -0.051 0.000 1.137 491 R CA 1.340 57.449 56.100 0.015 0.000 0.951 491 R CB -0.236 30.082 30.300 0.031 0.000 0.851 491 R HN 0.099 nan 8.270 nan 0.000 0.434 492 A N 0.361 123.103 122.820 -0.129 0.000 1.892 492 A HA -0.173 4.147 4.320 0.000 0.000 0.218 492 A C 2.295 179.773 177.584 -0.178 0.000 1.188 492 A CA 1.907 53.850 52.037 -0.156 0.000 0.631 492 A CB -0.712 18.174 19.000 -0.192 0.000 0.822 492 A HN 0.175 nan 8.150 nan 0.000 0.447 493 V N -1.196 118.525 119.914 -0.323 0.000 2.343 493 V HA -0.253 3.867 4.120 0.000 0.000 0.247 493 V C 2.301 178.333 176.094 -0.104 0.000 1.051 493 V CA 2.016 64.149 62.300 -0.279 0.000 1.036 493 V CB -1.094 30.404 31.823 -0.540 0.000 0.654 493 V HN 0.613 nan 8.190 nan 0.000 0.451 494 F N -0.067 119.892 119.950 0.014 0.000 2.325 494 F HA -0.091 4.436 4.527 0.000 0.000 0.299 494 F C 2.309 178.123 175.800 0.022 0.000 1.090 494 F CA 0.840 58.851 58.000 0.019 0.000 1.392 494 F CB -0.226 38.786 39.000 0.019 0.000 1.053 494 F HN 0.180 nan 8.300 nan 0.000 0.521 495 D N 0.242 120.734 120.400 0.153 0.000 2.103 495 D HA -0.164 4.476 4.640 0.000 0.000 0.199 495 D C 1.961 178.331 176.300 0.116 0.000 0.978 495 D CA 0.971 55.030 54.000 0.098 0.000 0.829 495 D CB -0.552 40.276 40.800 0.047 0.000 0.981 495 D HN 0.167 nan 8.370 nan 0.000 0.464 496 F N 1.746 121.656 119.950 -0.067 0.000 2.065 496 F HA -0.190 4.337 4.527 0.000 0.000 0.298 496 F C 2.212 177.958 175.800 -0.089 0.000 1.112 496 F CA 1.197 59.148 58.000 -0.082 0.000 1.212 496 F CB -0.614 38.330 39.000 -0.094 0.000 0.975 496 F HN -0.075 nan 8.300 nan 0.000 0.476 497 L N -0.126 121.053 121.223 -0.073 0.000 2.083 497 L HA -0.133 4.207 4.340 0.000 0.000 0.209 497 L C 2.434 179.207 176.870 -0.162 0.000 1.083 497 L CA 1.497 56.210 54.840 -0.212 0.000 0.752 497 L CB -0.681 41.372 42.059 -0.010 0.000 0.899 497 L HN 0.259 nan 8.230 nan 0.000 0.433 498 A N -1.304 121.479 122.820 -0.061 0.000 1.968 498 A HA -0.147 4.173 4.320 0.000 0.000 0.217 498 A C 2.300 179.814 177.584 -0.117 0.000 1.169 498 A CA 1.566 53.553 52.037 -0.084 0.000 0.638 498 A CB -0.562 18.417 19.000 -0.036 0.000 0.812 498 A HN 0.484 nan 8.150 nan 0.000 0.446 499 S N -0.090 115.542 115.700 -0.114 0.000 2.465 499 S HA -0.054 4.416 4.470 0.000 0.000 0.241 499 S C 0.708 175.219 174.600 -0.149 0.000 1.000 499 S CA 0.460 58.588 58.200 -0.120 0.000 0.964 499 S CB -0.559 62.601 63.200 -0.067 0.000 0.763 499 S HN 0.502 nan 8.310 nan 0.000 0.512 500 L N 2.914 124.017 121.223 -0.201 0.000 2.449 500 L HA 0.098 4.438 4.340 0.000 0.000 0.266 500 L C -0.663 176.129 176.870 -0.131 0.000 1.321 500 L CA -0.286 54.445 54.840 -0.183 0.000 1.194 500 L CB -0.749 41.154 42.059 -0.259 0.000 1.384 500 L HN -0.016 nan 8.230 nan 0.000 0.438 501 V N 1.406 121.260 119.914 -0.099 0.000 2.435 501 V HA 0.367 4.487 4.120 0.000 0.000 0.290 501 V C 0.119 176.187 176.094 -0.044 0.000 1.030 501 V CA -0.726 61.532 62.300 -0.069 0.000 0.881 501 V CB 1.771 33.562 31.823 -0.054 0.000 0.983 501 V HN 0.579 nan 8.190 nan 0.000 0.445 502 N N 6.203 124.883 118.700 -0.033 0.000 2.342 502 N HA 0.423 5.163 4.740 0.000 0.000 0.293 502 N C -1.895 173.617 175.510 0.003 0.000 1.026 502 N CA -2.087 50.953 53.050 -0.017 0.000 0.857 502 N CB 3.176 41.647 38.487 -0.026 0.000 1.256 502 N HN 0.191 nan 8.380 nan 0.000 0.484 503 P HA -0.135 nan 4.420 nan 0.000 0.213 503 P C 1.025 178.338 177.300 0.022 0.000 1.170 503 P CA 2.046 65.165 63.100 0.033 0.000 0.902 503 P CB -0.158 31.570 31.700 0.047 0.000 0.789 504 T N -0.211 114.353 114.554 0.016 0.000 2.760 504 T HA -0.150 4.200 4.350 0.000 0.000 0.269 504 T C 1.696 176.395 174.700 -0.001 0.000 1.047 504 T CA 2.403 64.508 62.100 0.008 0.000 1.139 504 T CB -1.291 67.582 68.868 0.009 0.000 0.855 504 T HN 0.403 nan 8.240 nan 0.000 0.471 505 T N -1.412 113.139 114.554 -0.004 0.000 3.044 505 T HA 0.619 4.969 4.350 0.000 0.000 0.250 505 T C 1.741 176.437 174.700 -0.008 0.000 1.081 505 T CA 0.675 62.769 62.100 -0.009 0.000 1.040 505 T CB -0.079 68.779 68.868 -0.017 0.000 0.962 505 T HN 0.517 nan 8.240 nan 0.000 0.506 506 A N 1.125 123.945 122.820 -0.000 0.000 3.721 506 A HA -0.208 4.112 4.320 0.000 0.000 0.270 506 A C 0.433 178.016 177.584 -0.001 0.000 1.036 506 A CA 1.267 53.307 52.037 0.006 0.000 1.102 506 A CB -2.307 16.697 19.000 0.006 0.000 1.100 506 A HN 0.634 nan 8.150 nan 0.000 0.887 507 N N -0.239 118.451 118.700 -0.017 0.000 2.384 507 N HA 0.555 5.295 4.740 0.000 0.000 0.301 507 N C -2.924 172.554 175.510 -0.054 0.000 1.133 507 N CA -1.550 51.479 53.050 -0.036 0.000 0.853 507 N CB 1.266 39.728 38.487 -0.042 0.000 1.241 507 N HN 0.078 nan 8.380 nan 0.000 0.502 508 P HA -0.086 nan 4.420 nan 0.000 0.271 508 P C 1.400 178.627 177.300 -0.121 0.000 1.233 508 P CA -0.163 62.871 63.100 -0.109 0.000 0.795 508 P CB 0.556 32.174 31.700 -0.137 0.000 0.936 509 V N -1.552 118.279 119.914 -0.139 0.000 2.370 509 V HA -0.180 3.940 4.120 0.000 0.000 0.252 509 V C 0.836 176.828 176.094 -0.170 0.000 1.068 509 V CA 1.730 63.947 62.300 -0.139 0.000 1.061 509 V CB -1.402 30.337 31.823 -0.141 0.000 0.656 509 V HN 0.227 nan 8.190 nan 0.000 0.455 510 L N 1.958 123.021 121.223 -0.266 0.000 2.346 510 L HA 0.518 4.858 4.340 0.000 0.000 0.276 510 L C -0.010 176.624 176.870 -0.394 0.000 1.006 510 L CA -0.627 53.953 54.840 -0.435 0.000 0.817 510 L CB 1.830 43.424 42.059 -0.775 0.000 1.272 510 L HN 0.399 nan 8.230 nan 0.000 0.421 511 D N 0.347 120.569 120.400 -0.297 0.000 2.530 511 D HA 0.200 4.840 4.640 0.000 0.000 0.282 511 D C -0.194 176.012 176.300 -0.157 0.000 1.204 511 D CA -0.376 53.510 54.000 -0.189 0.000 1.093 511 D CB 0.668 41.421 40.800 -0.079 0.000 1.154 511 D HN 0.449 nan 8.370 nan 0.000 0.593 512 T N -2.956 111.609 114.554 0.018 0.000 2.926 512 T HA 0.206 4.556 4.350 0.000 0.000 0.307 512 T C 0.689 175.511 174.700 0.202 0.000 1.059 512 T CA 0.035 62.220 62.100 0.141 0.000 1.122 512 T CB 0.812 69.722 68.868 0.069 0.000 0.972 512 T HN 0.608 nan 8.240 nan 0.000 0.545 513 S N 1.573 117.405 115.700 0.220 0.000 3.631 513 S HA -0.156 4.314 4.470 0.000 0.000 0.366 513 S C 0.125 174.799 174.600 0.124 0.000 0.993 513 S CA 0.532 58.797 58.200 0.107 0.000 1.167 513 S CB -2.229 60.995 63.200 0.040 0.000 0.909 513 S HN 0.851 nan 8.310 nan 0.000 0.478 514 F N -0.030 119.897 119.950 -0.039 0.000 2.192 514 F HA 0.833 5.360 4.527 0.000 0.000 0.269 514 F C 0.717 176.499 175.800 -0.030 0.000 0.946 514 F CA -0.371 57.607 58.000 -0.036 0.000 1.139 514 F CB -0.034 38.948 39.000 -0.030 0.000 1.877 514 F HN 0.217 nan 8.300 nan 0.000 0.571 515 S N 0.142 115.856 115.700 0.023 0.000 2.594 515 S HA 0.633 5.103 4.470 0.000 0.000 0.296 515 S C -1.142 173.547 174.600 0.148 0.000 1.124 515 S CA -0.809 57.401 58.200 0.016 0.000 1.011 515 S CB 0.628 63.845 63.200 0.029 0.000 1.016 515 S HN 0.605 nan 8.310 nan 0.000 0.485 516 M N 3.847 123.572 119.600 0.208 0.000 2.259 516 M HA 0.548 5.028 4.480 0.000 0.000 0.304 516 M C -0.486 175.954 176.300 0.234 0.000 1.019 516 M CA -0.643 54.786 55.300 0.216 0.000 0.922 516 M CB 2.165 34.783 32.600 0.029 0.000 1.600 516 M HN 0.726 nan 8.290 nan 0.000 0.433 517 A N 3.063 125.888 122.820 0.008 0.000 2.937 517 A HA 0.317 4.637 4.320 0.000 0.000 0.338 517 A C -1.185 176.367 177.584 -0.054 0.000 1.273 517 A CA -0.375 51.406 52.037 -0.426 0.000 0.937 517 A CB -0.153 18.516 19.000 -0.551 0.000 1.133 517 A HN 0.711 nan 8.150 nan 0.000 0.491 518 Y N 3.165 123.400 120.300 -0.109 0.000 2.674 518 Y HA 0.436 4.986 4.550 0.000 0.000 0.354 518 Y C -0.500 175.334 175.900 -0.110 0.000 1.089 518 Y CA -0.656 57.424 58.100 -0.033 0.000 1.444 518 Y CB -0.217 38.267 38.460 0.040 0.000 1.187 518 Y HN 0.490 nan 8.280 nan 0.000 0.523 519 L N 4.062 125.095 121.223 -0.316 0.000 2.333 519 L HA 0.642 4.982 4.340 0.000 0.000 0.269 519 L C 0.832 177.473 176.870 -0.383 0.000 1.010 519 L CA -1.037 53.599 54.840 -0.341 0.000 0.818 519 L CB 1.850 43.827 42.059 -0.137 0.000 1.306 519 L HN 0.731 nan 8.230 nan 0.000 0.430 520 G N 1.472 110.104 108.800 -0.280 0.000 2.326 520 G HA2 -0.032 3.928 3.960 0.000 0.000 0.286 520 G HA3 -0.032 3.928 3.960 0.000 0.000 0.286 520 G C -0.059 174.703 174.900 -0.229 0.000 1.096 520 G CA 0.041 45.045 45.100 -0.161 0.000 1.003 520 G HN 0.942 nan 8.290 nan 0.000 0.503 521 A N -0.166 122.444 122.820 -0.350 0.000 2.293 521 A HA 0.990 5.310 4.320 0.000 0.000 0.302 521 A C 0.639 178.175 177.584 -0.080 0.000 1.119 521 A CA 0.512 52.322 52.037 -0.377 0.000 0.823 521 A CB 1.321 19.963 19.000 -0.597 0.000 1.097 521 A HN 2.166 nan 8.150 nan 0.000 0.491 522 S N -0.491 115.223 115.700 0.023 0.000 2.564 522 S HA 0.451 4.921 4.470 0.000 0.000 0.274 522 S C 0.325 174.925 174.600 -0.000 0.000 1.124 522 S CA 0.126 58.348 58.200 0.036 0.000 0.869 522 S CB 1.256 64.507 63.200 0.085 0.000 1.105 522 S HN 1.620 nan 8.310 nan 0.000 0.472 523 S N 1.128 116.808 115.700 -0.033 0.000 2.723 523 S HA 0.219 4.689 4.470 0.000 0.000 0.231 523 S C 1.167 175.629 174.600 -0.231 0.000 0.967 523 S CA 0.012 58.113 58.200 -0.165 0.000 0.958 523 S CB -1.503 61.574 63.200 -0.206 0.000 0.778 523 S HN 2.021 nan 8.310 nan 0.000 0.537 524 A N 2.369 125.190 122.820 0.001 0.000 1.600 524 A HA -0.216 4.104 4.320 0.000 0.000 0.269 524 A C 0.852 178.468 177.584 0.054 0.000 1.116 524 A CA 0.777 52.857 52.037 0.071 0.000 1.028 524 A CB -1.595 17.448 19.000 0.071 0.000 1.026 524 A HN 0.789 nan 8.150 nan 0.000 0.277 525 H N 0.811 119.899 119.070 0.030 0.000 2.611 525 H HA 0.162 4.718 4.556 0.000 0.000 0.283 525 H C 1.279 176.623 175.328 0.026 0.000 1.075 525 H CA 0.637 56.701 56.048 0.027 0.000 1.184 525 H CB -0.142 29.633 29.762 0.022 0.000 1.294 525 H HN 0.767 nan 8.280 nan 0.000 0.619 526 A N 1.159 124.056 122.820 0.128 0.000 3.004 526 A HA 0.135 4.455 4.320 0.000 0.000 0.286 526 A C 0.684 178.305 177.584 0.062 0.000 1.632 526 A CA -0.352 51.734 52.037 0.083 0.000 1.339 526 A CB -0.741 18.299 19.000 0.067 0.000 1.136 526 A HN 0.601 nan 8.150 nan 0.000 0.577 527 N N -0.404 118.334 118.700 0.063 0.000 2.909 527 N HA -0.352 4.388 4.740 0.000 0.000 0.230 527 N C 1.145 176.679 175.510 0.041 0.000 0.869 527 N CA 2.045 55.124 53.050 0.048 0.000 1.071 527 N CB -0.913 37.596 38.487 0.036 0.000 1.040 527 N HN 0.778 nan 8.380 nan 0.000 0.620 528 A N -0.757 122.087 122.820 0.040 0.000 1.997 528 A HA 0.095 4.415 4.320 0.000 0.000 0.212 528 A C 0.911 178.502 177.584 0.011 0.000 1.178 528 A CA 1.281 53.337 52.037 0.032 0.000 0.698 528 A CB 0.301 19.326 19.000 0.041 0.000 0.842 528 A HN 0.392 nan 8.150 nan 0.000 0.458 529 D N -0.814 119.567 120.400 -0.032 0.000 2.978 529 D HA -0.172 4.468 4.640 0.000 0.000 0.205 529 D C -0.041 176.155 176.300 -0.174 0.000 1.093 529 D CA 1.671 55.575 54.000 -0.159 0.000 1.006 529 D CB -0.965 39.764 40.800 -0.119 0.000 1.116 529 D HN 0.809 nan 8.370 nan 0.000 0.419 530 E N -1.104 119.062 120.200 -0.058 0.000 2.446 530 E HA 0.634 4.984 4.350 0.000 0.000 0.276 530 E C -3.112 173.514 176.600 0.044 0.000 0.969 530 E CA -1.933 54.458 56.400 -0.016 0.000 0.800 530 E CB 0.681 30.468 29.700 0.146 0.000 1.341 530 E HN -0.269 nan 8.360 nan 0.000 0.460 531 P HA -0.013 nan 4.420 nan 0.000 0.263 531 P C 0.807 178.163 177.300 0.092 0.000 1.247 531 P CA 0.005 63.171 63.100 0.109 0.000 0.876 531 P CB 0.451 32.256 31.700 0.175 0.000 0.928 532 V N 5.084 125.042 119.914 0.073 0.000 2.357 532 V HA -0.310 3.810 4.120 0.000 0.000 0.257 532 V C 2.229 178.362 176.094 0.066 0.000 1.082 532 V CA 1.780 64.119 62.300 0.065 0.000 1.078 532 V CB -0.876 30.980 31.823 0.056 0.000 0.663 532 V HN 0.548 nan 8.190 nan 0.000 0.455 533 I N -0.706 119.907 120.570 0.072 0.000 2.194 533 I HA -0.251 3.919 4.170 0.000 0.000 0.246 533 I C 2.290 178.447 176.117 0.067 0.000 1.093 533 I CA 1.879 63.232 61.300 0.089 0.000 1.355 533 I CB -0.947 37.135 38.000 0.137 0.000 1.046 533 I HN 0.325 nan 8.210 nan 0.000 0.413 534 L N 0.439 121.700 121.223 0.062 0.000 1.961 534 L HA -0.201 4.139 4.340 0.000 0.000 0.210 534 L C 2.880 179.763 176.870 0.021 0.000 1.072 534 L CA 1.556 56.425 54.840 0.049 0.000 0.749 534 L CB -1.151 40.972 42.059 0.107 0.000 0.889 534 L HN 0.175 nan 8.230 nan 0.000 0.432 535 A N 0.540 123.379 122.820 0.032 0.000 1.929 535 A HA -0.338 3.982 4.320 0.000 0.000 0.221 535 A C 1.915 179.502 177.584 0.006 0.000 1.211 535 A CA 2.627 54.671 52.037 0.011 0.000 0.657 535 A CB -0.889 18.123 19.000 0.021 0.000 0.827 535 A HN 0.514 nan 8.150 nan 0.000 0.462 536 D N -0.158 120.253 120.400 0.018 0.000 2.084 536 D HA -0.116 4.524 4.640 0.000 0.000 0.196 536 D C 1.976 178.278 176.300 0.003 0.000 0.985 536 D CA 1.173 55.184 54.000 0.018 0.000 0.826 536 D CB -0.481 40.343 40.800 0.039 0.000 0.978 536 D HN 0.357 nan 8.370 nan 0.000 0.456 537 I N 1.237 121.800 120.570 -0.011 0.000 2.151 537 I HA -0.264 3.906 4.170 0.000 0.000 0.243 537 I C 2.375 178.449 176.117 -0.070 0.000 1.080 537 I CA 1.260 62.523 61.300 -0.061 0.000 1.339 537 I CB -0.871 37.056 38.000 -0.122 0.000 1.039 537 I HN 0.036 nan 8.210 nan 0.000 0.409 538 R N 0.760 121.222 120.500 -0.063 0.000 2.105 538 R HA -0.139 4.201 4.340 0.000 0.000 0.239 538 R C 2.344 178.619 176.300 -0.042 0.000 1.135 538 R CA 1.816 57.878 56.100 -0.063 0.000 0.967 538 R CB -0.368 29.899 30.300 -0.056 0.000 0.861 538 R HN 0.534 nan 8.270 nan 0.000 0.442 539 S N -1.162 114.522 115.700 -0.026 0.000 2.496 539 S HA 0.127 4.597 4.470 0.000 0.000 0.224 539 S C 1.107 175.704 174.600 -0.005 0.000 0.996 539 S CA 0.325 58.517 58.200 -0.014 0.000 0.927 539 S CB 0.870 64.065 63.200 -0.009 0.000 0.774 539 S HN 0.464 nan 8.310 nan 0.000 0.524 540 G N 0.403 109.200 108.800 -0.004 0.000 2.629 540 G HA2 -0.108 3.852 3.960 0.000 0.000 0.154 540 G HA3 -0.108 3.852 3.960 0.000 0.000 0.154 540 G C -0.057 174.853 174.900 0.016 0.000 1.077 540 G CA -0.020 45.085 45.100 0.007 0.000 0.831 540 G HN 0.547 nan 8.290 nan 0.000 0.495 541 S N -0.160 115.550 115.700 0.016 0.000 2.484 541 S HA 0.589 5.059 4.470 0.000 0.000 0.242 541 S C 0.425 175.051 174.600 0.045 0.000 1.158 541 S CA -0.345 57.873 58.200 0.030 0.000 1.162 541 S CB -0.322 62.896 63.200 0.031 0.000 0.850 541 S HN 0.471 nan 8.310 nan 0.000 0.477 542 I N 2.701 123.296 120.570 0.043 0.000 2.382 542 I HA 0.404 4.574 4.170 0.000 0.000 0.285 542 I C -2.440 173.704 176.117 0.046 0.000 1.007 542 I CA -2.343 58.994 61.300 0.060 0.000 1.142 542 I CB 1.587 39.623 38.000 0.060 0.000 1.289 542 I HN 0.096 nan 8.210 nan 0.000 0.453 543 P HA 0.094 nan 4.420 nan 0.000 0.264 543 P C 1.079 178.380 177.300 0.002 0.000 1.183 543 P CA 0.828 63.941 63.100 0.021 0.000 0.763 543 P CB 0.777 32.489 31.700 0.019 0.000 0.807 544 G N 1.970 110.759 108.800 -0.018 0.000 3.639 544 G HA2 -0.321 3.639 3.960 0.000 0.000 0.224 544 G HA3 -0.321 3.639 3.960 0.000 0.000 0.224 544 G C -0.045 174.837 174.900 -0.030 0.000 1.339 544 G CA 0.366 45.439 45.100 -0.045 0.000 0.933 544 G HN 0.634 nan 8.290 nan 0.000 0.568 545 L N 4.097 125.308 121.223 -0.020 0.000 2.349 545 L HA 0.699 5.039 4.340 0.000 0.000 0.275 545 L C -1.771 175.124 176.870 0.041 0.000 1.115 545 L CA -1.687 53.145 54.840 -0.014 0.000 0.820 545 L CB 1.139 43.173 42.059 -0.040 0.000 1.135 545 L HN 0.196 nan 8.230 nan 0.000 0.445 546 P HA 0.373 nan 4.420 nan 0.000 0.297 546 P C -0.890 176.511 177.300 0.169 0.000 1.307 546 P CA -0.759 62.392 63.100 0.085 0.000 0.773 546 P CB 0.361 32.099 31.700 0.064 0.000 1.265 547 I N -2.589 118.037 120.570 0.093 0.000 3.299 547 I HA -0.083 4.087 4.170 0.000 0.000 0.351 547 I C -2.500 173.631 176.117 0.023 0.000 1.161 547 I CA -0.436 60.886 61.300 0.037 0.000 1.513 547 I CB -1.277 36.721 38.000 -0.002 0.000 1.264 547 I HN 0.174 nan 8.210 nan 0.000 0.505 548 P HA 0.285 nan 4.420 nan 0.000 0.281 548 P C -0.136 177.007 177.300 -0.262 0.000 1.264 548 P CA -0.614 62.135 63.100 -0.585 0.000 0.824 548 P CB 1.180 32.242 31.700 -1.063 0.000 1.092 549 R N 1.120 121.488 120.500 -0.221 0.000 2.094 549 R HA 0.024 4.364 4.340 0.000 0.000 0.214 549 R C 0.633 176.843 176.300 -0.149 0.000 1.174 549 R CA 0.851 56.868 56.100 -0.138 0.000 0.919 549 R CB -0.131 30.108 30.300 -0.101 0.000 0.795 549 R HN 0.503 nan 8.270 nan 0.000 0.465 550 R N 0.994 121.405 120.500 -0.149 0.000 2.215 550 R HA 0.390 4.730 4.340 0.000 0.000 0.336 550 R C -1.269 175.059 176.300 0.047 0.000 0.996 550 R CA -0.396 55.658 56.100 -0.076 0.000 0.847 550 R CB 0.795 31.011 30.300 -0.141 0.000 1.127 550 R HN 0.079 nan 8.270 nan 0.000 0.465 551 I N 3.538 124.125 120.570 0.028 0.000 2.509 551 I HA 0.305 4.475 4.170 0.000 0.000 0.293 551 I C -0.153 175.951 176.117 -0.023 0.000 1.020 551 I CA -1.043 60.283 61.300 0.044 0.000 1.088 551 I CB 2.224 40.220 38.000 -0.006 0.000 1.267 551 I HN 0.575 nan 8.210 nan 0.000 0.430 552 V N 2.811 122.645 119.914 -0.133 0.000 2.667 552 V HA 0.610 4.730 4.120 0.000 0.000 0.308 552 V C -0.505 175.361 176.094 -0.379 0.000 1.048 552 V CA -0.563 61.459 62.300 -0.463 0.000 0.928 552 V CB 1.747 32.944 31.823 -1.043 0.000 1.004 552 V HN 0.871 nan 8.190 nan 0.000 0.444 553 Q N 3.293 122.838 119.800 -0.426 0.000 2.706 553 Q HA 0.464 4.804 4.340 0.000 0.000 0.250 553 Q C -1.557 174.324 176.000 -0.199 0.000 1.120 553 Q CA -0.371 55.253 55.803 -0.299 0.000 0.972 553 Q CB 0.490 29.160 28.738 -0.113 0.000 1.173 553 Q HN 0.826 nan 8.270 nan 0.000 0.522 554 F N 0.950 120.687 119.950 -0.355 0.000 2.404 554 F HA 0.708 5.235 4.527 0.000 0.000 0.345 554 F C 1.188 176.742 175.800 -0.410 0.000 1.110 554 F CA -0.397 57.397 58.000 -0.344 0.000 1.130 554 F CB 1.621 40.446 39.000 -0.292 0.000 1.129 554 F HN 0.565 nan 8.300 nan 0.000 0.500 555 G N 2.103 110.739 108.800 -0.273 0.000 2.539 555 G HA2 0.129 4.089 3.960 0.000 0.000 0.138 555 G HA3 0.129 4.089 3.960 0.000 0.000 0.138 555 G C -1.081 173.302 174.900 -0.861 0.000 1.148 555 G CA -0.399 44.377 45.100 -0.540 0.000 1.057 555 G HN 0.458 nan 8.290 nan 0.000 0.511 556 Y N -0.099 120.162 120.300 -0.065 0.000 2.736 556 Y HA 0.384 4.934 4.550 0.000 0.000 0.272 556 Y C 0.775 176.655 175.900 -0.033 0.000 1.118 556 Y CA 0.583 58.653 58.100 -0.049 0.000 1.248 556 Y CB 0.892 39.324 38.460 -0.047 0.000 1.437 556 Y HN 0.397 nan 8.280 nan 0.000 0.481 557 D N 1.679 122.144 120.400 0.110 0.000 2.460 557 D HA 0.440 5.080 4.640 0.000 0.000 0.268 557 D C -1.172 175.129 176.300 0.002 0.000 1.153 557 D CA -0.261 53.776 54.000 0.062 0.000 0.929 557 D CB 0.454 41.307 40.800 0.087 0.000 1.015 557 D HN 0.053 nan 8.370 nan 0.000 0.502 558 V N 0.904 120.796 119.914 -0.037 0.000 2.962 558 V HA 0.644 4.764 4.120 0.000 0.000 0.313 558 V C 0.793 176.831 176.094 -0.093 0.000 1.099 558 V CA -0.446 61.800 62.300 -0.091 0.000 0.971 558 V CB 1.248 33.012 31.823 -0.097 0.000 1.028 558 V HN 0.255 nan 8.190 nan 0.000 0.430 559 V N -1.162 118.649 119.914 -0.172 0.000 3.058 559 V HA 0.388 4.508 4.120 0.000 0.000 0.233 559 V C 0.776 176.824 176.094 -0.077 0.000 1.255 559 V CA 0.940 63.158 62.300 -0.137 0.000 1.267 559 V CB -0.160 31.563 31.823 -0.168 0.000 1.049 559 V HN 1.095 nan 8.190 nan 0.000 0.486 560 H N 0.407 119.472 119.070 -0.009 0.000 2.539 560 H HA 0.829 5.385 4.556 0.000 0.000 0.247 560 H C 0.137 175.451 175.328 -0.023 0.000 1.363 560 H CA 0.088 56.130 56.048 -0.010 0.000 1.371 560 H CB 0.846 30.600 29.762 -0.014 0.000 1.438 560 H HN 0.649 nan 8.280 nan 0.000 0.523 561 G N 0.620 109.477 108.800 0.095 0.000 2.566 561 G HA2 0.227 4.187 3.960 0.000 0.000 0.138 561 G HA3 0.227 4.187 3.960 0.000 0.000 0.138 561 G C -1.618 173.429 174.900 0.245 0.000 1.133 561 G CA -0.277 44.902 45.100 0.130 0.000 1.037 561 G HN 0.489 nan 8.290 nan 0.000 0.491 562 S N -1.271 114.667 115.700 0.396 0.000 2.550 562 S HA 0.522 4.992 4.470 0.000 0.000 0.270 562 S C -1.328 173.177 174.600 -0.158 0.000 1.145 562 S CA -0.473 57.769 58.200 0.070 0.000 0.852 562 S CB 1.500 64.695 63.200 -0.010 0.000 1.119 562 S HN 1.388 nan 8.310 nan 0.000 0.465 563 L N 4.733 125.844 121.223 -0.186 0.000 2.617 563 L HA 0.470 4.810 4.340 0.000 0.000 0.282 563 L C -1.418 175.249 176.870 -0.339 0.000 1.174 563 L CA 0.874 55.560 54.840 -0.256 0.000 1.016 563 L CB -1.180 40.791 42.059 -0.147 0.000 1.337 563 L HN 0.504 nan 8.230 nan 0.000 0.460 564 L N 3.073 123.999 121.223 -0.496 0.000 2.370 564 L HA 0.413 4.753 4.340 0.000 0.000 0.266 564 L C -0.541 176.063 176.870 -0.444 0.000 1.002 564 L CA -0.924 53.654 54.840 -0.437 0.000 0.818 564 L CB 2.036 43.785 42.059 -0.517 0.000 1.325 564 L HN 0.272 nan 8.230 nan 0.000 0.418 565 D N 2.004 122.315 120.400 -0.148 0.000 2.453 565 D HA 0.215 4.855 4.640 0.000 0.000 0.223 565 D C 0.975 177.307 176.300 0.053 0.000 1.183 565 D CA -0.003 54.058 54.000 0.102 0.000 0.933 565 D CB 0.731 41.605 40.800 0.124 0.000 1.038 565 D HN 0.362 nan 8.370 nan 0.000 0.513 566 L N 2.170 123.447 121.223 0.089 0.000 2.042 566 L HA -0.238 4.102 4.340 0.000 0.000 0.210 566 L C 2.547 179.428 176.870 0.019 0.000 1.076 566 L CA 1.383 56.232 54.840 0.015 0.000 0.749 566 L CB -0.718 41.359 42.059 0.030 0.000 0.893 566 L HN 0.395 nan 8.230 nan 0.000 0.432 567 S N -0.725 115.005 115.700 0.049 0.000 2.365 567 S HA -0.141 4.329 4.470 0.000 0.000 0.225 567 S C 1.327 175.939 174.600 0.020 0.000 1.039 567 S CA 0.843 59.060 58.200 0.028 0.000 1.033 567 S CB -0.364 62.853 63.200 0.027 0.000 0.887 567 S HN 0.245 nan 8.310 nan 0.000 0.447 568 R N 1.532 122.044 120.500 0.020 0.000 2.546 568 R HA 0.611 4.951 4.340 0.000 0.000 0.266 568 R C 0.207 176.506 176.300 -0.002 0.000 1.086 568 R CA -0.043 56.064 56.100 0.011 0.000 1.160 568 R CB -0.059 30.247 30.300 0.009 0.000 1.138 568 R HN 0.383 nan 8.270 nan 0.000 0.567 569 A N 1.572 124.393 122.820 0.001 0.000 2.509 569 A HA 0.141 4.461 4.320 0.000 0.000 0.282 569 A C 0.434 178.004 177.584 -0.022 0.000 1.159 569 A CA -0.003 52.032 52.037 -0.004 0.000 0.863 569 A CB -0.998 18.005 19.000 0.005 0.000 1.029 569 A HN 0.418 nan 8.150 nan 0.000 0.542 570 V N 0.823 120.717 119.914 -0.034 0.000 2.715 570 V HA 0.630 4.750 4.120 0.000 0.000 0.310 570 V C -2.652 173.414 176.094 -0.047 0.000 1.054 570 V CA -3.009 59.251 62.300 -0.066 0.000 0.928 570 V CB 1.266 33.018 31.823 -0.118 0.000 1.007 570 V HN 0.532 nan 8.190 nan 0.000 0.437 571 P HA -0.013 nan 4.420 nan 0.000 0.249 571 P C 0.252 177.562 177.300 0.017 0.000 1.140 571 P CA 0.760 63.845 63.100 -0.025 0.000 0.803 571 P CB -0.430 31.241 31.700 -0.047 0.000 0.745 572 T N 3.277 117.851 114.554 0.033 0.000 3.058 572 T HA 0.289 4.639 4.350 0.000 0.000 0.249 572 T C 0.962 175.722 174.700 0.100 0.000 0.949 572 T CA -0.047 62.089 62.100 0.061 0.000 1.204 572 T CB -0.353 68.545 68.868 0.051 0.000 0.963 572 T HN 0.413 nan 8.240 nan 0.000 0.634 573 G N 2.153 111.049 108.800 0.160 0.000 2.530 573 G HA2 0.546 4.506 3.960 0.000 0.000 0.316 573 G HA3 0.546 4.506 3.960 0.000 0.000 0.316 573 G C -0.019 175.118 174.900 0.395 0.000 1.298 573 G CA -0.942 44.310 45.100 0.253 0.000 0.948 573 G HN 0.518 nan 8.290 nan 0.000 0.486 574 T N -0.355 114.374 114.554 0.293 0.000 2.729 574 T HA 0.632 4.982 4.350 0.000 0.000 0.296 574 T C -0.754 174.088 174.700 0.237 0.000 0.928 574 T CA -0.399 61.849 62.100 0.247 0.000 1.045 574 T CB 0.301 69.230 68.868 0.101 0.000 0.902 574 T HN 0.166 nan 8.240 nan 0.000 0.500 575 F N 1.136 121.120 119.950 0.057 0.000 2.556 575 F HA 0.608 5.135 4.527 0.000 0.000 0.314 575 F C 1.353 177.200 175.800 0.078 0.000 1.106 575 F CA -1.114 56.924 58.000 0.063 0.000 0.911 575 F CB 1.973 41.013 39.000 0.066 0.000 1.190 575 F HN 0.663 nan 8.300 nan 0.000 0.448 576 G N 2.214 111.178 108.800 0.274 0.000 2.422 576 G HA2 -0.096 3.864 3.960 0.000 0.000 0.218 576 G HA3 -0.096 3.864 3.960 0.000 0.000 0.218 576 G C 0.237 175.275 174.900 0.230 0.000 1.146 576 G CA 0.403 45.633 45.100 0.217 0.000 0.769 576 G HN 0.465 nan 8.290 nan 0.000 0.547 577 L N 1.714 123.106 121.223 0.282 0.000 2.417 577 L HA 0.455 4.795 4.340 0.000 0.000 0.259 577 L C -0.908 176.115 176.870 0.254 0.000 1.023 577 L CA -0.641 54.358 54.840 0.265 0.000 0.901 577 L CB 1.827 44.064 42.059 0.297 0.000 1.227 577 L HN -0.165 nan 8.230 nan 0.000 0.454 578 V N 4.582 124.631 119.914 0.224 0.000 2.338 578 V HA 0.032 4.152 4.120 0.000 0.000 0.255 578 V C -0.323 175.944 176.094 0.288 0.000 1.082 578 V CA -0.314 62.100 62.300 0.190 0.000 0.951 578 V CB 0.386 32.286 31.823 0.129 0.000 1.102 578 V HN 0.437 nan 8.190 nan 0.000 0.489 579 Y N 5.447 125.845 120.300 0.163 0.000 2.627 579 Y HA 0.587 5.137 4.550 0.000 0.000 0.347 579 Y C 0.564 176.558 175.900 0.157 0.000 1.099 579 Y CA -1.602 56.622 58.100 0.207 0.000 1.408 579 Y CB 0.243 38.888 38.460 0.310 0.000 1.247 579 Y HN 0.648 nan 8.280 nan 0.000 0.506 580 A N 4.660 127.600 122.820 0.199 0.000 2.362 580 A HA 0.368 4.688 4.320 0.000 0.000 0.276 580 A C -0.599 176.869 177.584 -0.192 0.000 1.153 580 A CA -0.388 51.635 52.037 -0.024 0.000 0.813 580 A CB 0.058 19.060 19.000 0.003 0.000 1.081 580 A HN 0.680 nan 8.150 nan 0.000 0.507 581 D N 3.044 123.289 120.400 -0.259 0.000 2.420 581 D HA 0.232 4.872 4.640 0.000 0.000 0.255 581 D C -1.074 175.126 176.300 -0.167 0.000 1.185 581 D CA -0.440 53.383 54.000 -0.295 0.000 0.904 581 D CB 0.805 41.395 40.800 -0.350 0.000 1.102 581 D HN 0.261 nan 8.370 nan 0.000 0.534 582 L N 4.868 125.998 121.223 -0.154 0.000 2.451 582 L HA 0.171 4.511 4.340 0.000 0.000 0.272 582 L C -0.113 176.685 176.870 -0.120 0.000 1.258 582 L CA -0.265 54.502 54.840 -0.121 0.000 1.132 582 L CB -0.357 41.627 42.059 -0.125 0.000 1.361 582 L HN 0.275 nan 8.230 nan 0.000 0.438 583 D N 2.915 123.261 120.400 -0.090 0.000 2.429 583 D HA -0.092 4.548 4.640 0.000 0.000 0.253 583 D C 0.116 176.359 176.300 -0.095 0.000 1.294 583 D CA -0.220 53.735 54.000 -0.076 0.000 1.063 583 D CB 0.312 41.089 40.800 -0.039 0.000 1.096 583 D HN 0.442 nan 8.370 nan 0.000 0.516 584 Q N 2.151 121.895 119.800 -0.093 0.000 2.489 584 Q HA 0.169 4.509 4.340 0.000 0.000 0.231 584 Q C -0.478 175.498 176.000 -0.040 0.000 1.273 584 Q CA -0.469 55.290 55.803 -0.073 0.000 0.898 584 Q CB -0.020 28.669 28.738 -0.081 0.000 1.545 584 Q HN 0.424 nan 8.270 nan 0.000 0.538 585 V N 1.801 121.675 119.914 -0.066 0.000 2.240 585 V HA 0.693 4.813 4.120 0.000 0.000 0.265 585 V C -1.025 175.042 176.094 -0.045 0.000 1.073 585 V CA -0.762 61.506 62.300 -0.054 0.000 0.857 585 V CB 0.003 31.780 31.823 -0.077 0.000 1.114 585 V HN 0.654 nan 8.190 nan 0.000 0.469 586 E N 0.622 120.817 120.200 -0.007 0.000 2.363 586 E HA 0.450 4.800 4.350 0.000 0.000 0.281 586 E C -0.642 175.971 176.600 0.021 0.000 0.953 586 E CA -0.604 55.795 56.400 -0.002 0.000 0.778 586 E CB 1.291 30.986 29.700 -0.008 0.000 1.220 586 E HN 0.196 nan 8.360 nan 0.000 0.431 587 D N 1.559 121.963 120.400 0.007 0.000 2.149 587 D HA 0.053 4.693 4.640 0.000 0.000 0.201 587 D C 0.587 176.895 176.300 0.013 0.000 0.972 587 D CA 1.598 55.605 54.000 0.012 0.000 0.835 587 D CB 0.138 40.938 40.800 0.000 0.000 0.966 587 D HN 0.578 nan 8.370 nan 0.000 0.476 588 A N 0.584 123.400 122.820 -0.006 0.000 3.118 588 A HA 0.456 4.776 4.320 0.000 0.000 0.256 588 A C 1.738 179.288 177.584 -0.057 0.000 1.667 588 A CA 0.033 52.049 52.037 -0.035 0.000 1.338 588 A CB -0.719 18.255 19.000 -0.043 0.000 1.127 588 A HN 0.238 nan 8.150 nan 0.000 0.634 589 G N 0.368 109.144 108.800 -0.040 0.000 2.498 589 G HA2 -0.198 3.762 3.960 0.000 0.000 0.219 589 G HA3 -0.198 3.762 3.960 0.000 0.000 0.219 589 G C 1.517 176.141 174.900 -0.459 0.000 1.119 589 G CA 1.450 46.482 45.100 -0.114 0.000 0.766 589 G HN 0.756 nan 8.290 nan 0.000 0.552 590 T N -1.828 112.520 114.554 -0.343 0.000 2.848 590 T HA -0.177 4.173 4.350 0.000 0.000 0.269 590 T C 1.093 175.608 174.700 -0.308 0.000 1.081 590 T CA 1.265 63.151 62.100 -0.358 0.000 1.125 590 T CB -0.101 68.638 68.868 -0.216 0.000 0.848 590 T HN 0.182 nan 8.240 nan 0.000 0.503 591 D N 0.344 120.604 120.400 -0.233 0.000 2.524 591 D HA 0.300 4.940 4.640 0.000 0.000 0.222 591 D C 0.801 176.999 176.300 -0.170 0.000 1.142 591 D CA -0.389 53.511 54.000 -0.167 0.000 0.973 591 D CB 0.505 41.243 40.800 -0.103 0.000 1.025 591 D HN 0.069 nan 8.370 nan 0.000 0.519 592 M N 2.780 122.246 119.600 -0.224 0.000 2.080 592 M HA -0.060 4.420 4.480 0.000 0.000 0.260 592 M C -0.874 175.382 176.300 -0.074 0.000 1.068 592 M CA 1.326 56.525 55.300 -0.169 0.000 1.109 592 M CB -1.624 30.868 32.600 -0.181 0.000 1.342 592 M HN 0.238 nan 8.290 nan 0.000 0.405 593 P HA -0.223 nan 4.420 nan 0.000 0.216 593 P C 1.302 178.593 177.300 -0.015 0.000 1.167 593 P CA 2.440 65.524 63.100 -0.027 0.000 0.914 593 P CB -0.245 31.435 31.700 -0.034 0.000 0.793 594 A N -0.636 122.168 122.820 -0.026 0.000 1.933 594 A HA -0.151 4.169 4.320 0.000 0.000 0.218 594 A C 2.307 179.890 177.584 -0.001 0.000 1.175 594 A CA 2.208 54.236 52.037 -0.015 0.000 0.628 594 A CB -1.574 17.412 19.000 -0.024 0.000 0.814 594 A HN 0.214 nan 8.150 nan 0.000 0.444 595 A N -0.027 122.796 122.820 0.006 0.000 1.908 595 A HA -0.252 4.068 4.320 0.000 0.000 0.218 595 A C 1.983 179.577 177.584 0.018 0.000 1.181 595 A CA 2.049 54.112 52.037 0.043 0.000 0.627 595 A CB -0.765 18.297 19.000 0.104 0.000 0.818 595 A HN 0.685 nan 8.150 nan 0.000 0.445 596 N N -1.531 117.178 118.700 0.015 0.000 2.250 596 N HA -0.083 4.657 4.740 0.000 0.000 0.181 596 N C 2.059 177.616 175.510 0.079 0.000 1.017 596 N CA 0.581 53.655 53.050 0.039 0.000 0.866 596 N CB -0.097 38.429 38.487 0.064 0.000 0.985 596 N HN 0.316 nan 8.380 nan 0.000 0.429 597 R N 0.692 121.223 120.500 0.052 0.000 2.096 597 R HA -0.048 4.292 4.340 0.000 0.000 0.235 597 R C 1.827 178.157 176.300 0.051 0.000 1.127 597 R CA 1.204 57.337 56.100 0.055 0.000 0.968 597 R CB -0.388 29.933 30.300 0.035 0.000 0.861 597 R HN 0.259 nan 8.270 nan 0.000 0.440 598 A N 0.701 123.538 122.820 0.029 0.000 1.908 598 A HA -0.149 4.171 4.320 0.000 0.000 0.218 598 A C 2.357 179.959 177.584 0.030 0.000 1.181 598 A CA 1.922 53.968 52.037 0.016 0.000 0.627 598 A CB -0.670 18.325 19.000 -0.009 0.000 0.818 598 A HN 0.466 nan 8.150 nan 0.000 0.445 599 A N -0.053 122.794 122.820 0.045 0.000 1.933 599 A HA -0.053 4.267 4.320 0.000 0.000 0.218 599 A C 2.086 179.775 177.584 0.174 0.000 1.175 599 A CA 1.467 53.560 52.037 0.093 0.000 0.628 599 A CB -0.653 18.358 19.000 0.019 0.000 0.814 599 A HN 0.541 nan 8.150 nan 0.000 0.444 600 I N -0.086 120.595 120.570 0.185 0.000 2.179 600 I HA -0.270 3.900 4.170 0.000 0.000 0.242 600 I C 2.949 179.143 176.117 0.127 0.000 1.088 600 I CA 1.160 62.566 61.300 0.178 0.000 1.357 600 I CB -0.544 37.558 38.000 0.171 0.000 1.051 600 I HN 0.316 nan 8.210 nan 0.000 0.409 601 A N 2.032 124.905 122.820 0.087 0.000 1.877 601 A HA -0.235 4.085 4.320 0.000 0.000 0.216 601 A C 2.424 180.027 177.584 0.031 0.000 1.186 601 A CA 2.209 54.282 52.037 0.060 0.000 0.620 601 A CB -0.821 18.206 19.000 0.044 0.000 0.822 601 A HN 0.606 nan 8.150 nan 0.000 0.443 602 M N -1.655 117.956 119.600 0.018 0.000 2.557 602 M HA 0.159 4.639 4.480 0.000 0.000 0.259 602 M C 1.686 177.960 176.300 -0.045 0.000 1.086 602 M CA 1.312 56.608 55.300 -0.007 0.000 1.096 602 M CB -0.419 32.177 32.600 -0.006 0.000 1.424 602 M HN 0.205 nan 8.290 nan 0.000 0.488 603 L N 1.130 122.311 121.223 -0.071 0.000 2.072 603 L HA 0.068 4.408 4.340 0.000 0.000 0.205 603 L C 2.768 179.403 176.870 -0.392 0.000 1.079 603 L CA 1.631 56.329 54.840 -0.238 0.000 0.752 603 L CB -0.829 41.062 42.059 -0.281 0.000 0.906 603 L HN 0.507 nan 8.230 nan 0.000 0.436 604 G N -0.752 107.922 108.800 -0.210 0.000 2.514 604 G HA2 -0.383 3.577 3.960 0.000 0.000 0.217 604 G HA3 -0.383 3.577 3.960 0.000 0.000 0.217 604 G C 1.627 176.500 174.900 -0.045 0.000 1.198 604 G CA 1.622 46.678 45.100 -0.074 0.000 0.780 604 G HN 0.452 nan 8.290 nan 0.000 0.565 605 T N -0.394 114.146 114.554 -0.024 0.000 2.778 605 T HA 0.030 4.380 4.350 0.000 0.000 0.269 605 T C 2.474 177.165 174.700 -0.016 0.000 1.050 605 T CA 2.129 64.222 62.100 -0.011 0.000 1.137 605 T CB -0.419 68.445 68.868 -0.007 0.000 0.860 605 T HN 0.461 nan 8.240 nan 0.000 0.468 606 A N 1.062 123.856 122.820 -0.043 0.000 1.929 606 A HA 0.250 4.570 4.320 0.000 0.000 0.216 606 A C 2.304 179.883 177.584 -0.009 0.000 1.176 606 A CA 1.239 53.262 52.037 -0.023 0.000 0.628 606 A CB -0.828 18.152 19.000 -0.033 0.000 0.816 606 A HN 0.470 nan 8.150 nan 0.000 0.444 607 L N -0.114 121.075 121.223 -0.057 0.000 2.046 607 L HA -0.211 4.129 4.340 0.000 0.000 0.208 607 L C 2.572 179.465 176.870 0.039 0.000 1.077 607 L CA 2.463 57.298 54.840 -0.008 0.000 0.747 607 L CB -0.566 41.473 42.059 -0.033 0.000 0.896 607 L HN 0.605 nan 8.230 nan 0.000 0.432 608 Q N -1.390 118.432 119.800 0.036 0.000 2.135 608 Q HA -0.244 4.096 4.340 0.000 0.000 0.204 608 Q C 2.028 178.066 176.000 0.064 0.000 0.981 608 Q CA 1.759 57.593 55.803 0.051 0.000 0.856 608 Q CB -0.026 28.738 28.738 0.043 0.000 0.902 608 Q HN 0.451 nan 8.270 nan 0.000 0.425 609 M N 0.852 120.492 119.600 0.066 0.000 2.296 609 M HA -0.049 4.431 4.480 0.000 0.000 0.265 609 M C 1.074 177.455 176.300 0.136 0.000 1.064 609 M CA 1.006 56.368 55.300 0.103 0.000 1.109 609 M CB -1.201 31.445 32.600 0.077 0.000 1.396 609 M HN 0.152 nan 8.290 nan 0.000 0.430 610 T N 0.854 115.472 114.554 0.107 0.000 2.799 610 T HA 0.256 4.606 4.350 0.000 0.000 0.296 610 T C 0.575 175.332 174.700 0.095 0.000 0.947 610 T CA -0.628 61.541 62.100 0.114 0.000 1.141 610 T CB 0.223 69.149 68.868 0.097 0.000 0.891 610 T HN 0.429 nan 8.240 nan 0.000 0.533 611 T N 0.962 115.577 114.554 0.102 0.000 2.926 611 T HA 0.431 4.781 4.350 0.000 0.000 0.307 611 T C 0.824 175.553 174.700 0.048 0.000 1.059 611 T CA -0.591 61.548 62.100 0.065 0.000 1.122 611 T CB 0.258 69.160 68.868 0.056 0.000 0.972 611 T HN 1.087 nan 8.240 nan 0.000 0.545 612 A N 2.022 124.857 122.820 0.026 0.000 2.504 612 A HA 0.445 4.765 4.320 0.000 0.000 0.280 612 A C 1.662 179.253 177.584 0.013 0.000 1.125 612 A CA 0.260 52.304 52.037 0.010 0.000 0.873 612 A CB -1.757 17.243 19.000 0.000 0.000 0.997 612 A HN 2.219 nan 8.150 nan 0.000 0.542 613 G N 1.717 110.526 108.800 0.016 0.000 2.380 613 G HA2 0.055 4.015 3.960 0.000 0.000 0.197 613 G HA3 0.055 4.015 3.960 0.000 0.000 0.197 613 G C 0.949 175.874 174.900 0.042 0.000 1.001 613 G CA 0.097 45.210 45.100 0.022 0.000 0.668 613 G HN 1.935 nan 8.290 nan 0.000 0.483 614 G N 0.315 109.149 108.800 0.058 0.000 2.474 614 G HA2 0.547 4.507 3.960 0.000 0.000 0.233 614 G HA3 0.547 4.507 3.960 0.000 0.000 0.233 614 G C 0.549 175.512 174.900 0.104 0.000 1.278 614 G CA 0.781 45.931 45.100 0.084 0.000 0.861 614 G HN 1.576 nan 8.290 nan 0.000 0.567 615 V N -0.683 119.301 119.914 0.116 0.000 2.834 615 V HA 0.883 5.003 4.120 0.000 0.000 0.313 615 V C 0.230 176.428 176.094 0.173 0.000 1.060 615 V CA -0.722 61.660 62.300 0.137 0.000 0.989 615 V CB 1.716 33.600 31.823 0.101 0.000 1.041 615 V HN 0.912 nan 8.190 nan 0.000 0.459 616 S N 1.399 117.221 115.700 0.203 0.000 2.546 616 S HA 0.741 5.212 4.470 0.000 0.000 0.272 616 S C -1.164 173.591 174.600 0.258 0.000 1.140 616 S CA -0.472 57.855 58.200 0.211 0.000 0.920 616 S CB 1.750 65.044 63.200 0.156 0.000 1.083 616 S HN 0.972 nan 8.310 nan 0.000 0.476 617 V N 5.315 125.398 119.914 0.283 0.000 2.459 617 V HA 0.609 4.729 4.120 0.000 0.000 0.295 617 V C -0.860 175.402 176.094 0.280 0.000 1.029 617 V CA -0.775 61.722 62.300 0.329 0.000 0.874 617 V CB 1.530 33.552 31.823 0.332 0.000 0.985 617 V HN 0.749 nan 8.190 nan 0.000 0.438 618 L N 4.487 125.837 121.223 0.211 0.000 2.388 618 L HA 0.449 4.789 4.340 0.000 0.000 0.267 618 L C 0.012 176.896 176.870 0.024 0.000 0.995 618 L CA -0.280 54.617 54.840 0.094 0.000 0.864 618 L CB 1.450 43.552 42.059 0.073 0.000 1.216 618 L HN 0.717 nan 8.230 nan 0.000 0.430 619 K N 3.271 123.572 120.400 -0.164 0.000 2.278 619 K HA 0.429 4.749 4.320 0.000 0.000 0.289 619 K C -0.960 175.519 176.600 -0.202 0.000 1.080 619 K CA -0.177 55.895 56.287 -0.358 0.000 0.934 619 K CB 0.473 32.587 32.500 -0.642 0.000 1.093 619 K HN 0.348 nan 8.250 nan 0.000 0.459 620 V N 4.974 124.800 119.914 -0.146 0.000 2.487 620 V HA 0.066 4.186 4.120 0.000 0.000 0.298 620 V C 0.678 176.611 176.094 -0.268 0.000 1.028 620 V CA -0.945 61.205 62.300 -0.251 0.000 0.860 620 V CB 1.413 32.989 31.823 -0.410 0.000 0.991 620 V HN 0.926 nan 8.190 nan 0.000 0.427 621 N N 3.967 122.455 118.700 -0.353 0.000 2.028 621 N HA -0.100 4.640 4.740 0.000 0.000 0.194 621 N C 0.126 175.219 175.510 -0.696 0.000 1.050 621 N CA 1.523 54.260 53.050 -0.521 0.000 0.848 621 N CB -0.266 37.827 38.487 -0.657 0.000 1.038 621 N HN 0.466 nan 8.380 nan 0.000 0.423 622 F N 1.812 121.656 119.950 -0.176 0.000 2.335 622 F HA 0.473 5.000 4.527 0.000 0.000 0.365 622 F C -2.055 173.533 175.800 -0.353 0.000 1.122 622 F CA -2.962 54.928 58.000 -0.183 0.000 1.151 622 F CB 0.551 39.531 39.000 -0.033 0.000 1.282 622 F HN 0.052 nan 8.300 nan 0.000 0.513 623 P HA 0.410 nan 4.420 nan 0.000 0.279 623 P C -0.335 176.886 177.300 -0.130 0.000 1.252 623 P CA -0.272 62.630 63.100 -0.331 0.000 0.811 623 P CB 2.169 33.887 31.700 0.029 0.000 1.035 624 T N -0.856 113.514 114.554 -0.306 0.000 2.786 624 T HA 0.184 4.534 4.350 0.000 0.000 0.316 624 T C 0.983 175.529 174.700 -0.257 0.000 1.503 624 T CA -0.612 61.439 62.100 -0.081 0.000 1.019 624 T CB 1.202 70.067 68.868 -0.006 0.000 1.415 624 T HN 0.345 nan 8.240 nan 0.000 0.496 625 R N 0.888 121.477 120.500 0.148 0.000 2.113 625 R HA -0.153 4.187 4.340 0.000 0.000 0.244 625 R C 2.278 178.677 176.300 0.164 0.000 1.142 625 R CA 2.248 58.516 56.100 0.280 0.000 0.953 625 R CB -0.772 29.668 30.300 0.233 0.000 0.860 625 R HN 0.689 nan 8.270 nan 0.000 0.438 626 A N 0.122 122.998 122.820 0.093 0.000 1.933 626 A HA -0.194 4.126 4.320 0.000 0.000 0.218 626 A C 1.922 179.567 177.584 0.101 0.000 1.175 626 A CA 1.161 53.250 52.037 0.087 0.000 0.628 626 A CB -0.677 18.363 19.000 0.066 0.000 0.814 626 A HN 0.473 nan 8.150 nan 0.000 0.444 627 F N -0.472 119.402 119.950 -0.127 0.000 2.069 627 F HA -0.205 4.322 4.527 0.000 0.000 0.298 627 F C 2.073 177.889 175.800 0.026 0.000 1.113 627 F CA 1.658 59.562 58.000 -0.161 0.000 1.214 627 F CB -0.682 38.049 39.000 -0.448 0.000 0.978 627 F HN 0.449 nan 8.300 nan 0.000 0.474 628 W N 0.297 121.568 121.300 -0.049 0.000 2.338 628 W HA -0.234 4.426 4.660 0.000 0.000 0.304 628 W C 2.471 178.941 176.519 -0.081 0.000 1.212 628 W CA 0.998 58.274 57.345 -0.114 0.000 1.264 628 W CB -1.198 28.286 29.460 0.040 0.000 1.142 628 W HN -0.097 nan 8.180 nan 0.000 0.512 629 T N 0.665 115.345 114.554 0.210 0.000 2.536 629 T HA -0.333 4.017 4.350 0.000 0.000 0.263 629 T C 1.657 176.421 174.700 0.107 0.000 1.115 629 T CA 1.836 63.998 62.100 0.103 0.000 1.180 629 T CB -0.754 68.160 68.868 0.077 0.000 0.864 629 T HN 0.093 nan 8.240 nan 0.000 0.419 630 Q N 0.485 120.311 119.800 0.044 0.000 2.181 630 Q HA -0.033 4.307 4.340 0.000 0.000 0.205 630 Q C 2.626 178.613 176.000 -0.021 0.000 0.980 630 Q CA 0.738 56.543 55.803 0.003 0.000 0.862 630 Q CB -1.042 27.706 28.738 0.018 0.000 0.905 630 Q HN 0.427 nan 8.270 nan 0.000 0.429 631 V N 0.946 120.854 119.914 -0.009 0.000 2.233 631 V HA -0.268 3.852 4.120 0.000 0.000 0.247 631 V C 2.001 178.219 176.094 0.207 0.000 1.050 631 V CA 2.046 64.410 62.300 0.107 0.000 1.010 631 V CB -0.812 30.957 31.823 -0.090 0.000 0.637 631 V HN 0.240 nan 8.190 nan 0.000 0.444 632 F N 2.733 122.717 119.950 0.057 0.000 2.011 632 F HA -0.325 4.202 4.527 0.000 0.000 0.296 632 F C 2.713 178.507 175.800 -0.009 0.000 1.144 632 F CA 2.638 60.676 58.000 0.064 0.000 1.185 632 F CB -0.782 38.260 39.000 0.070 0.000 0.961 632 F HN 0.392 nan 8.300 nan 0.000 0.485 633 N N 0.689 119.557 118.700 0.279 0.000 2.192 633 N HA -0.240 4.500 4.740 0.000 0.000 0.188 633 N C 1.730 177.136 175.510 -0.174 0.000 1.013 633 N CA 2.110 55.184 53.050 0.040 0.000 0.863 633 N CB -0.685 37.870 38.487 0.112 0.000 0.990 633 N HN 0.479 nan 8.380 nan 0.000 0.430 634 L N -1.870 119.139 121.223 -0.357 0.000 2.556 634 L HA 0.190 4.530 4.340 0.000 0.000 0.226 634 L C 1.022 177.332 176.870 -0.933 0.000 1.089 634 L CA 0.147 54.554 54.840 -0.722 0.000 0.864 634 L CB 0.197 41.632 42.059 -1.039 0.000 1.067 634 L HN 0.075 nan 8.230 nan 0.000 0.477 635 Y N -2.424 117.890 120.300 0.023 0.000 2.652 635 Y HA 0.272 4.822 4.550 0.000 0.000 0.274 635 Y C 2.392 178.345 175.900 0.089 0.000 1.148 635 Y CA 0.283 58.421 58.100 0.062 0.000 1.219 635 Y CB -0.103 38.397 38.460 0.065 0.000 1.337 635 Y HN -0.052 nan 8.280 nan 0.000 0.490 636 A N 0.931 123.841 122.820 0.151 0.000 1.917 636 A HA -0.263 4.057 4.320 0.000 0.000 0.219 636 A C 2.214 179.815 177.584 0.029 0.000 1.182 636 A CA 2.721 54.822 52.037 0.108 0.000 0.633 636 A CB -1.520 17.473 19.000 -0.012 0.000 0.819 636 A HN 0.557 nan 8.150 nan 0.000 0.448 637 T N -2.255 112.256 114.554 -0.072 0.000 2.731 637 T HA -0.325 4.025 4.350 0.000 0.000 0.259 637 T C 1.269 175.987 174.700 0.030 0.000 1.054 637 T CA 2.197 64.230 62.100 -0.112 0.000 1.158 637 T CB -0.683 68.025 68.868 -0.266 0.000 0.847 637 T HN 0.579 nan 8.240 nan 0.000 0.470 638 H N 1.648 120.757 119.070 0.064 0.000 2.467 638 H HA 0.803 5.359 4.556 0.000 0.000 0.275 638 H C 0.162 175.558 175.328 0.115 0.000 1.131 638 H CA -0.557 55.543 56.048 0.087 0.000 0.989 638 H CB -0.059 29.765 29.762 0.103 0.000 1.696 638 H HN 0.716 nan 8.280 nan 0.000 0.574 639 A N -0.235 122.722 122.820 0.227 0.000 2.455 639 A HA 0.444 4.764 4.320 0.000 0.000 0.300 639 A C 1.181 178.826 177.584 0.101 0.000 1.040 639 A CA -0.118 52.028 52.037 0.181 0.000 0.697 639 A CB 0.907 20.072 19.000 0.274 0.000 1.265 639 A HN 0.237 nan 8.150 nan 0.000 0.407 640 T N -1.609 112.982 114.554 0.061 0.000 2.976 640 T HA 0.269 4.619 4.350 0.000 0.000 0.257 640 T C 0.806 175.493 174.700 -0.021 0.000 1.051 640 T CA 1.331 63.446 62.100 0.024 0.000 1.141 640 T CB -0.009 68.874 68.868 0.025 0.000 0.881 640 T HN 1.031 nan 8.240 nan 0.000 0.461 641 T N 1.572 116.094 114.554 -0.053 0.000 2.912 641 T HA 0.617 4.967 4.350 0.000 0.000 0.299 641 T C -1.950 172.556 174.700 -0.324 0.000 1.052 641 T CA -1.125 60.900 62.100 -0.125 0.000 0.996 641 T CB 1.245 70.114 68.868 0.001 0.000 1.070 641 T HN 0.452 nan 8.240 nan 0.000 0.465 642 L N 3.411 124.311 121.223 -0.539 0.000 2.319 642 L HA 0.750 5.090 4.340 0.000 0.000 0.281 642 L C -0.329 176.129 176.870 -0.686 0.000 1.005 642 L CA -0.591 53.749 54.840 -0.833 0.000 0.828 642 L CB 1.320 42.818 42.059 -0.934 0.000 1.227 642 L HN 0.588 nan 8.230 nan 0.000 0.415 643 H N 3.773 122.716 119.070 -0.210 0.000 2.771 643 H HA 0.795 5.351 4.556 0.000 0.000 0.367 643 H C -1.188 174.259 175.328 0.198 0.000 1.172 643 H CA -0.872 55.209 56.048 0.055 0.000 1.186 643 H CB 3.203 32.989 29.762 0.040 0.000 1.790 643 H HN 0.642 nan 8.280 nan 0.000 0.556 644 L N 1.374 122.823 121.223 0.378 0.000 2.612 644 L HA 0.449 4.789 4.340 0.000 0.000 0.256 644 L C -1.464 175.546 176.870 0.233 0.000 0.949 644 L CA -0.854 54.128 54.840 0.237 0.000 0.867 644 L CB 2.171 44.165 42.059 -0.107 0.000 1.417 644 L HN 0.537 nan 8.230 nan 0.000 0.414 645 V N 0.318 120.330 119.914 0.164 0.000 3.049 645 V HA 0.728 4.848 4.120 0.000 0.000 0.309 645 V C -1.323 174.800 176.094 0.047 0.000 1.148 645 V CA -0.854 61.464 62.300 0.030 0.000 0.990 645 V CB 1.958 33.603 31.823 -0.296 0.000 1.039 645 V HN 0.768 nan 8.190 nan 0.000 0.430 646 K N 3.157 123.585 120.400 0.047 0.000 2.535 646 K HA 0.681 5.001 4.320 0.000 0.000 0.253 646 K C -3.034 173.535 176.600 -0.052 0.000 0.953 646 K CA -2.084 54.225 56.287 0.037 0.000 0.863 646 K CB 1.842 34.449 32.500 0.178 0.000 1.111 646 K HN 0.551 nan 8.250 nan 0.000 0.431 647 P HA 0.043 nan 4.420 nan 0.000 0.264 647 P C -1.035 176.285 177.300 0.033 0.000 1.236 647 P CA 0.026 63.076 63.100 -0.083 0.000 0.811 647 P CB 0.337 31.952 31.700 -0.142 0.000 0.840 648 T N 3.307 117.912 114.554 0.085 0.000 3.151 648 T HA 0.314 4.664 4.350 0.000 0.000 0.332 648 T C 1.240 175.996 174.700 0.095 0.000 1.245 648 T CA -0.277 61.877 62.100 0.092 0.000 1.019 648 T CB -0.374 68.531 68.868 0.063 0.000 1.109 648 T HN 0.189 nan 8.240 nan 0.000 0.621 649 I N 1.322 121.951 120.570 0.098 0.000 2.681 649 I HA 0.169 4.339 4.170 0.000 0.000 0.247 649 I C 0.863 177.072 176.117 0.153 0.000 1.091 649 I CA -0.078 61.282 61.300 0.101 0.000 1.442 649 I CB 0.047 38.097 38.000 0.085 0.000 1.219 649 I HN 0.415 nan 8.210 nan 0.000 0.451 650 V N -1.766 118.272 119.914 0.207 0.000 3.141 650 V HA 0.487 4.607 4.120 0.000 0.000 0.312 650 V C -0.805 175.407 176.094 0.196 0.000 1.157 650 V CA -0.997 61.517 62.300 0.357 0.000 1.041 650 V CB 1.731 33.735 31.823 0.301 0.000 1.071 650 V HN 0.203 nan 8.190 nan 0.000 0.441 651 N N 1.729 120.444 118.700 0.025 0.000 2.415 651 N HA 0.579 5.319 4.740 0.000 0.000 0.250 651 N C -0.618 174.840 175.510 -0.087 0.000 1.127 651 N CA 0.647 53.560 53.050 -0.228 0.000 0.945 651 N CB 0.431 38.452 38.487 -0.776 0.000 1.196 651 N HN 1.097 nan 8.380 nan 0.000 0.499 652 S N 1.142 116.840 115.700 -0.005 0.000 2.578 652 S HA 0.202 4.672 4.470 0.000 0.000 0.272 652 S C -0.454 174.165 174.600 0.032 0.000 1.145 652 S CA -0.740 57.486 58.200 0.044 0.000 0.835 652 S CB 0.175 63.394 63.200 0.033 0.000 1.104 652 S HN 0.453 nan 8.310 nan 0.000 0.458 653 S N 1.742 117.439 115.700 -0.006 0.000 2.930 653 S HA 0.311 4.781 4.470 0.000 0.000 0.257 653 S C -0.274 174.290 174.600 -0.060 0.000 1.208 653 S CA -0.359 57.801 58.200 -0.066 0.000 1.233 653 S CB -0.600 62.455 63.200 -0.243 0.000 0.900 653 S HN 0.577 nan 8.310 nan 0.000 0.472 654 E N 2.091 122.293 120.200 0.003 0.000 2.121 654 E HA 0.287 4.637 4.350 0.000 0.000 0.255 654 E C -0.312 176.392 176.600 0.173 0.000 0.906 654 E CA -0.595 55.814 56.400 0.014 0.000 0.745 654 E CB 1.692 31.404 29.700 0.020 0.000 1.155 654 E HN 0.504 nan 8.360 nan 0.000 0.424 655 V N 0.164 120.180 119.914 0.169 0.000 2.567 655 V HA 0.470 4.590 4.120 0.000 0.000 0.289 655 V C -0.362 175.942 176.094 0.351 0.000 1.049 655 V CA -0.644 61.826 62.300 0.284 0.000 0.969 655 V CB 0.554 32.534 31.823 0.263 0.000 0.995 655 V HN 0.356 nan 8.190 nan 0.000 0.471 656 F N 4.654 124.678 119.950 0.123 0.000 2.313 656 F HA 0.570 5.097 4.527 0.000 0.000 0.369 656 F C 0.030 175.952 175.800 0.205 0.000 1.109 656 F CA -0.531 57.565 58.000 0.161 0.000 1.132 656 F CB 1.200 40.285 39.000 0.141 0.000 1.291 656 F HN 0.380 nan 8.300 nan 0.000 0.496 657 L N 5.425 126.889 121.223 0.402 0.000 2.385 657 L HA 0.218 4.558 4.340 0.000 0.000 0.285 657 L C -0.264 176.919 176.870 0.522 0.000 1.125 657 L CA 0.010 55.106 54.840 0.427 0.000 0.890 657 L CB 0.140 42.359 42.059 0.267 0.000 1.251 657 L HN 0.222 nan 8.230 nan 0.000 0.445 658 V N 4.386 124.661 119.914 0.601 0.000 2.270 658 V HA 0.318 4.438 4.120 0.000 0.000 0.263 658 V C 0.108 176.520 176.094 0.529 0.000 1.066 658 V CA -0.351 62.245 62.300 0.492 0.000 0.857 658 V CB -0.642 31.428 31.823 0.411 0.000 1.099 658 V HN 0.372 nan 8.190 nan 0.000 0.476 659 F N 1.944 122.006 119.950 0.187 0.000 2.422 659 F HA 0.758 5.285 4.527 0.000 0.000 0.333 659 F C 1.012 176.893 175.800 0.134 0.000 1.095 659 F CA -0.744 57.357 58.000 0.169 0.000 1.038 659 F CB 2.012 41.096 39.000 0.140 0.000 1.156 659 F HN 0.504 nan 8.300 nan 0.000 0.483 660 G N 0.182 109.071 108.800 0.147 0.000 2.448 660 G HA2 0.475 4.435 3.960 0.000 0.000 0.324 660 G HA3 0.475 4.435 3.960 0.000 0.000 0.324 660 G C 0.071 175.017 174.900 0.076 0.000 1.203 660 G CA -0.527 44.627 45.100 0.090 0.000 0.954 660 G HN 1.076 nan 8.290 nan 0.000 0.480 661 G N 0.536 109.376 108.800 0.068 0.000 2.353 661 G HA2 -0.241 3.719 3.960 0.000 0.000 0.294 661 G HA3 -0.241 3.719 3.960 0.000 0.000 0.294 661 G C 0.343 175.291 174.900 0.080 0.000 1.077 661 G CA -0.005 45.130 45.100 0.059 0.000 1.098 661 G HN 0.809 nan 8.290 nan 0.000 0.511 662 R N -0.158 120.398 120.500 0.093 0.000 2.490 662 R HA 0.428 4.768 4.340 0.000 0.000 0.280 662 R C 1.110 177.431 176.300 0.035 0.000 1.077 662 R CA 0.004 56.160 56.100 0.094 0.000 1.065 662 R CB 0.382 30.751 30.300 0.114 0.000 1.003 662 R HN 0.581 nan 8.270 nan 0.000 0.470 663 Q N -0.448 119.354 119.800 0.004 0.000 2.487 663 Q HA -0.190 4.150 4.340 0.000 0.000 0.279 663 Q C -1.029 174.825 176.000 -0.242 0.000 1.228 663 Q CA 1.080 56.791 55.803 -0.153 0.000 0.873 663 Q CB -1.345 27.343 28.738 -0.084 0.000 1.260 663 Q HN 0.786 nan 8.270 nan 0.000 0.471 664 S N -1.635 113.978 115.700 -0.145 0.000 2.569 664 S HA 0.622 5.092 4.470 0.000 0.000 0.280 664 S C -0.415 174.245 174.600 0.099 0.000 1.111 664 S CA -1.171 56.986 58.200 -0.071 0.000 0.887 664 S CB 1.451 64.648 63.200 -0.006 0.000 1.095 664 S HN 0.288 nan 8.310 nan 0.000 0.476 665 N N 0.262 119.053 118.700 0.152 0.000 2.458 665 N HA 0.511 5.251 4.740 0.000 0.000 0.258 665 N C 0.131 175.706 175.510 0.108 0.000 1.219 665 N CA 0.626 53.793 53.050 0.196 0.000 0.902 665 N CB 0.497 39.064 38.487 0.133 0.000 1.076 665 N HN 0.961 nan 8.380 nan 0.000 0.455 666 G N -0.739 108.115 108.800 0.089 0.000 2.720 666 G HA2 0.618 4.578 3.960 0.000 0.000 0.295 666 G HA3 0.618 4.578 3.960 0.000 0.000 0.295 666 G C -1.353 173.544 174.900 -0.005 0.000 1.437 666 G CA -0.717 44.407 45.100 0.040 0.000 0.886 666 G HN 0.592 nan 8.290 nan 0.000 0.509 667 A N 1.640 124.448 122.820 -0.020 0.000 3.105 667 A HA 0.610 4.930 4.320 0.000 0.000 0.297 667 A C 0.406 177.964 177.584 -0.043 0.000 0.977 667 A CA -0.394 51.611 52.037 -0.053 0.000 1.020 667 A CB -0.396 18.580 19.000 -0.039 0.000 1.098 667 A HN 0.574 nan 8.150 nan 0.000 0.497 668 L N 0.644 121.842 121.223 -0.041 0.000 2.506 668 L HA 0.299 4.639 4.340 0.000 0.000 0.281 668 L C 0.856 177.755 176.870 0.048 0.000 1.228 668 L CA 0.418 55.259 54.840 0.001 0.000 0.850 668 L CB 0.338 42.408 42.059 0.018 0.000 1.110 668 L HN 0.666 nan 8.230 nan 0.000 0.496 669 R N 0.970 121.574 120.500 0.174 0.000 2.734 669 R HA 0.258 4.598 4.340 0.000 0.000 0.271 669 R C -1.029 175.421 176.300 0.251 0.000 1.021 669 R CA -0.664 55.668 56.100 0.387 0.000 0.893 669 R CB 1.993 32.503 30.300 0.351 0.000 1.244 669 R HN 0.591 nan 8.270 nan 0.000 0.464 670 S N 0.860 116.689 115.700 0.214 0.000 2.537 670 S HA 0.078 4.548 4.470 0.000 0.000 0.286 670 S C -0.142 174.467 174.600 0.014 0.000 1.299 670 S CA 0.292 58.529 58.200 0.062 0.000 1.067 670 S CB 0.193 63.389 63.200 -0.007 0.000 0.864 670 S HN 0.513 nan 8.310 nan 0.000 0.494 671 T N 1.580 116.077 114.554 -0.095 0.000 2.925 671 T HA 0.403 4.753 4.350 0.000 0.000 0.285 671 T C 1.682 176.205 174.700 -0.295 0.000 1.021 671 T CA -0.145 61.848 62.100 -0.178 0.000 1.042 671 T CB 1.156 69.948 68.868 -0.127 0.000 1.037 671 T HN 0.709 nan 8.240 nan 0.000 0.481 672 T N 0.448 114.741 114.554 -0.435 0.000 2.737 672 T HA -0.172 4.178 4.350 0.000 0.000 0.269 672 T C 2.249 176.824 174.700 -0.207 0.000 1.040 672 T CA 1.323 63.199 62.100 -0.373 0.000 1.142 672 T CB -1.003 67.628 68.868 -0.396 0.000 0.861 672 T HN 0.897 nan 8.240 nan 0.000 0.456 673 A N 1.876 124.602 122.820 -0.158 0.000 1.851 673 A HA 0.078 4.398 4.320 0.000 0.000 0.216 673 A C 2.381 179.911 177.584 -0.091 0.000 1.195 673 A CA 1.741 53.716 52.037 -0.104 0.000 0.622 673 A CB -1.161 17.797 19.000 -0.071 0.000 0.831 673 A HN 0.496 nan 8.150 nan 0.000 0.444 674 L N -0.651 120.534 121.223 -0.064 0.000 2.013 674 L HA -0.268 4.072 4.340 0.000 0.000 0.212 674 L C 2.618 179.437 176.870 -0.084 0.000 1.073 674 L CA 2.795 57.635 54.840 -0.000 0.000 0.753 674 L CB -0.584 41.435 42.059 -0.066 0.000 0.890 674 L HN 0.525 nan 8.230 nan 0.000 0.432 675 Q N -0.515 119.196 119.800 -0.148 0.000 2.002 675 Q HA -0.254 4.086 4.340 0.000 0.000 0.204 675 Q C 2.440 178.346 176.000 -0.156 0.000 0.988 675 Q CA 1.825 57.536 55.803 -0.154 0.000 0.843 675 Q CB -0.400 28.256 28.738 -0.136 0.000 0.908 675 Q HN 0.262 nan 8.270 nan 0.000 0.420 676 R N -0.277 120.136 120.500 -0.144 0.000 2.113 676 R HA -0.168 4.172 4.340 0.000 0.000 0.244 676 R C 2.010 178.184 176.300 -0.210 0.000 1.142 676 R CA 1.715 57.729 56.100 -0.144 0.000 0.953 676 R CB -0.985 29.242 30.300 -0.121 0.000 0.860 676 R HN 0.421 nan 8.270 nan 0.000 0.438 677 A N 0.668 123.321 122.820 -0.279 0.000 1.930 677 A HA -0.102 4.218 4.320 0.000 0.000 0.217 677 A C 2.482 179.679 177.584 -0.645 0.000 1.175 677 A CA 1.010 52.733 52.037 -0.523 0.000 0.627 677 A CB -0.520 17.968 19.000 -0.854 0.000 0.815 677 A HN 0.302 nan 8.150 nan 0.000 0.443 678 L N -0.521 120.456 121.223 -0.410 0.000 2.043 678 L HA -0.251 4.089 4.340 0.000 0.000 0.212 678 L C 2.564 179.016 176.870 -0.698 0.000 1.075 678 L CA 1.393 55.953 54.840 -0.467 0.000 0.752 678 L CB -0.469 41.301 42.059 -0.482 0.000 0.891 678 L HN 0.419 nan 8.230 nan 0.000 0.432 679 L N -1.461 119.545 121.223 -0.361 0.000 2.072 679 L HA -0.141 4.199 4.340 0.000 0.000 0.205 679 L C 2.686 179.553 176.870 -0.005 0.000 1.079 679 L CA 1.090 55.863 54.840 -0.111 0.000 0.752 679 L CB -0.551 41.487 42.059 -0.035 0.000 0.906 679 L HN 0.241 nan 8.230 nan 0.000 0.436 680 S N 0.601 116.244 115.700 -0.096 0.000 2.370 680 S HA -0.212 4.258 4.470 0.000 0.000 0.226 680 S C 1.856 176.425 174.600 -0.051 0.000 1.033 680 S CA 1.390 59.544 58.200 -0.076 0.000 1.011 680 S CB -0.486 62.648 63.200 -0.111 0.000 0.852 680 S HN 0.272 nan 8.310 nan 0.000 0.457 681 L N 1.036 122.204 121.223 -0.093 0.000 1.955 681 L HA -0.146 4.194 4.340 0.000 0.000 0.213 681 L C 2.169 179.119 176.870 0.133 0.000 1.072 681 L CA 1.830 56.664 54.840 -0.009 0.000 0.755 681 L CB -0.850 41.201 42.059 -0.013 0.000 0.888 681 L HN 0.213 nan 8.230 nan 0.000 0.432 682 Y N 0.266 120.560 120.300 -0.010 0.000 2.193 682 Y HA -0.240 4.310 4.550 0.000 0.000 0.285 682 Y C 2.596 178.491 175.900 -0.008 0.000 1.166 682 Y CA 1.007 59.104 58.100 -0.004 0.000 1.181 682 Y CB -1.782 36.691 38.460 0.021 0.000 0.976 682 Y HN 0.354 nan 8.280 nan 0.000 0.520 683 A N 0.242 123.160 122.820 0.163 0.000 1.897 683 A HA -0.152 4.168 4.320 0.000 0.000 0.215 683 A C 2.350 179.937 177.584 0.005 0.000 1.181 683 A CA 1.321 53.399 52.037 0.068 0.000 0.620 683 A CB -0.600 18.435 19.000 0.059 0.000 0.821 683 A HN 0.382 nan 8.150 nan 0.000 0.443 684 R N -0.226 120.264 120.500 -0.017 0.000 2.094 684 R HA -0.195 4.145 4.340 0.000 0.000 0.239 684 R C 2.307 178.562 176.300 -0.076 0.000 1.137 684 R CA 1.586 57.644 56.100 -0.070 0.000 0.943 684 R CB -0.509 29.743 30.300 -0.081 0.000 0.850 684 R HN 0.658 nan 8.270 nan 0.000 0.433 685 N N 0.663 119.344 118.700 -0.032 0.000 2.036 685 N HA -0.206 4.534 4.740 0.000 0.000 0.195 685 N C 1.629 177.114 175.510 -0.041 0.000 1.037 685 N CA 2.072 55.104 53.050 -0.030 0.000 0.855 685 N CB -0.128 38.380 38.487 0.035 0.000 1.033 685 N HN 0.257 nan 8.380 nan 0.000 0.423 686 A N 0.769 123.582 122.820 -0.013 0.000 1.877 686 A HA 0.046 4.366 4.320 0.000 0.000 0.216 686 A C 2.495 180.042 177.584 -0.062 0.000 1.186 686 A CA 2.224 54.247 52.037 -0.023 0.000 0.620 686 A CB -1.132 17.866 19.000 -0.004 0.000 0.822 686 A HN 0.489 nan 8.150 nan 0.000 0.443 687 A N -0.093 122.688 122.820 -0.066 0.000 1.883 687 A HA -0.118 4.202 4.320 0.000 0.000 0.217 687 A C 2.128 179.647 177.584 -0.110 0.000 1.186 687 A CA 1.683 53.670 52.037 -0.083 0.000 0.624 687 A CB -0.658 18.289 19.000 -0.089 0.000 0.822 687 A HN 0.506 nan 8.150 nan 0.000 0.444 688 I N -0.343 120.148 120.570 -0.131 0.000 2.315 688 I HA -0.223 3.947 4.170 0.000 0.000 0.248 688 I C 2.341 178.342 176.117 -0.194 0.000 1.117 688 I CA 1.516 62.722 61.300 -0.157 0.000 1.404 688 I CB -0.399 37.478 38.000 -0.206 0.000 1.071 688 I HN 0.457 nan 8.210 nan 0.000 0.419 689 D N 1.561 121.846 120.400 -0.191 0.000 2.126 689 D HA -0.249 4.391 4.640 0.000 0.000 0.190 689 D C 2.274 178.458 176.300 -0.194 0.000 1.001 689 D CA 1.785 55.677 54.000 -0.181 0.000 0.841 689 D CB 0.092 40.812 40.800 -0.134 0.000 0.949 689 D HN 0.350 nan 8.370 nan 0.000 0.446 690 R N 0.826 121.208 120.500 -0.197 0.000 2.073 690 R HA -0.061 4.279 4.340 0.000 0.000 0.234 690 R C 2.659 178.606 176.300 -0.589 0.000 1.134 690 R CA 1.274 57.201 56.100 -0.288 0.000 0.952 690 R CB -0.534 29.659 30.300 -0.178 0.000 0.850 690 R HN 0.135 nan 8.270 nan 0.000 0.433 691 A N 1.309 123.905 122.820 -0.374 0.000 1.852 691 A HA -0.199 4.121 4.320 0.000 0.000 0.217 691 A C 2.453 179.892 177.584 -0.243 0.000 1.215 691 A CA 2.188 54.039 52.037 -0.309 0.000 0.641 691 A CB -1.082 17.882 19.000 -0.060 0.000 0.838 691 A HN 0.132 nan 8.150 nan 0.000 0.450 692 V N 1.059 120.917 119.914 -0.094 0.000 2.380 692 V HA -0.299 3.821 4.120 0.000 0.000 0.251 692 V C 2.869 178.990 176.094 0.045 0.000 1.063 692 V CA 2.542 64.865 62.300 0.040 0.000 1.055 692 V CB -1.987 29.864 31.823 0.048 0.000 0.657 692 V HN 0.894 nan 8.190 nan 0.000 0.455 693 T N -1.998 112.512 114.554 -0.073 0.000 2.918 693 T HA -0.274 4.076 4.350 0.000 0.000 0.271 693 T C 1.498 176.310 174.700 0.187 0.000 1.104 693 T CA 1.895 63.996 62.100 0.003 0.000 1.114 693 T CB -0.552 68.279 68.868 -0.061 0.000 0.855 693 T HN 0.652 nan 8.240 nan 0.000 0.518 694 H N 0.195 119.296 119.070 0.051 0.000 2.592 694 H HA 0.451 5.007 4.556 0.000 0.000 0.265 694 H C 0.890 176.268 175.328 0.084 0.000 0.955 694 H CA -0.857 55.220 56.048 0.048 0.000 1.175 694 H CB -0.130 29.639 29.762 0.012 0.000 1.433 694 H HN 0.446 nan 8.280 nan 0.000 0.537 695 I N 4.669 125.391 120.570 0.253 0.000 2.529 695 I HA 0.084 4.254 4.170 0.000 0.000 0.284 695 I C -1.788 174.446 176.117 0.195 0.000 1.082 695 I CA -1.832 59.603 61.300 0.227 0.000 1.406 695 I CB 0.805 38.958 38.000 0.255 0.000 1.405 695 I HN -0.128 nan 8.210 nan 0.000 0.548 696 P HA -0.016 nan 4.420 nan 0.000 0.264 696 P C -0.454 176.898 177.300 0.088 0.000 1.193 696 P CA 0.172 63.349 63.100 0.128 0.000 0.763 696 P CB 0.349 32.092 31.700 0.070 0.000 0.810 697 F N 2.648 122.612 119.950 0.022 0.000 2.539 697 F HA 0.095 4.622 4.527 0.000 0.000 0.340 697 F C 1.023 176.742 175.800 -0.135 0.000 1.185 697 F CA 0.026 58.004 58.000 -0.037 0.000 1.333 697 F CB 0.172 39.214 39.000 0.069 0.000 1.152 697 F HN 0.204 nan 8.300 nan 0.000 0.602 698 F N 2.154 121.443 119.950 -1.103 0.000 2.623 698 F HA 0.167 4.694 4.527 0.000 0.000 0.386 698 F C 1.231 176.995 175.800 -0.061 0.000 1.068 698 F CA 0.752 58.377 58.000 -0.625 0.000 1.265 698 F CB -0.622 37.898 39.000 -0.800 0.000 1.026 698 F HN 0.643 nan 8.300 nan 0.000 0.568 699 G N 2.783 111.673 108.800 0.150 0.000 2.371 699 G HA2 -0.175 3.785 3.960 0.000 0.000 0.299 699 G HA3 -0.175 3.785 3.960 0.000 0.000 0.299 699 G C -0.607 174.360 174.900 0.112 0.000 1.014 699 G CA -0.053 45.132 45.100 0.142 0.000 1.097 699 G HN 0.634 nan 8.290 nan 0.000 0.512 700 V N 2.086 122.047 119.914 0.079 0.000 2.328 700 V HA 0.378 4.498 4.120 0.000 0.000 0.278 700 V C -1.262 174.845 176.094 0.023 0.000 1.021 700 V CA -1.466 60.870 62.300 0.060 0.000 0.838 700 V CB 1.616 33.488 31.823 0.082 0.000 0.999 700 V HN 0.313 nan 8.190 nan 0.000 0.447 701 P HA 0.181 nan 4.420 nan 0.000 0.272 701 P C -0.763 176.543 177.300 0.009 0.000 1.223 701 P CA -0.484 62.623 63.100 0.013 0.000 0.784 701 P CB 0.394 32.104 31.700 0.017 0.000 0.923 702 D N 1.201 121.602 120.400 0.003 0.000 2.426 702 D HA 0.001 4.641 4.640 0.000 0.000 0.261 702 D C 0.642 176.944 176.300 0.003 0.000 1.245 702 D CA 0.534 54.536 54.000 0.004 0.000 0.917 702 D CB -0.043 40.762 40.800 0.008 0.000 1.123 702 D HN 0.376 nan 8.370 nan 0.000 0.508 703 D N 1.536 121.940 120.400 0.005 0.000 2.369 703 D HA 0.112 4.752 4.640 0.000 0.000 0.211 703 D C 1.614 177.910 176.300 -0.006 0.000 1.077 703 D CA 0.205 54.206 54.000 0.001 0.000 0.842 703 D CB 0.189 40.995 40.800 0.011 0.000 0.947 703 D HN 0.496 nan 8.370 nan 0.000 0.509 704 G N 0.463 109.262 108.800 -0.002 0.000 2.417 704 G HA2 -0.416 3.544 3.960 0.000 0.000 0.233 704 G HA3 -0.416 3.544 3.960 0.000 0.000 0.233 704 G C 1.436 176.341 174.900 0.008 0.000 1.103 704 G CA 1.139 46.238 45.100 -0.001 0.000 0.647 704 G HN 0.608 nan 8.290 nan 0.000 0.512 705 T N 0.202 114.759 114.554 0.006 0.000 2.896 705 T HA 0.281 4.631 4.350 0.000 0.000 0.263 705 T C 1.718 176.425 174.700 0.010 0.000 1.050 705 T CA 1.496 63.600 62.100 0.007 0.000 1.140 705 T CB -0.592 68.278 68.868 0.004 0.000 0.877 705 T HN 1.847 nan 8.240 nan 0.000 0.457 706 S N 1.961 117.672 115.700 0.018 0.000 2.563 706 S HA 0.021 4.491 4.470 0.000 0.000 0.294 706 S C 0.605 175.222 174.600 0.029 0.000 1.279 706 S CA -0.035 58.182 58.200 0.028 0.000 1.069 706 S CB 0.472 63.693 63.200 0.035 0.000 0.828 706 S HN 0.387 nan 8.310 nan 0.000 0.497 707 D N 1.627 122.049 120.400 0.036 0.000 2.239 707 D HA -0.089 4.551 4.640 0.000 0.000 0.202 707 D C -0.076 176.270 176.300 0.075 0.000 0.993 707 D CA 1.353 55.390 54.000 0.060 0.000 0.874 707 D CB -0.023 40.815 40.800 0.063 0.000 0.922 707 D HN 0.541 nan 8.370 nan 0.000 0.464 708 L N -1.324 119.922 121.223 0.039 0.000 2.401 708 L HA 0.721 5.061 4.340 0.000 0.000 0.266 708 L C 0.217 177.069 176.870 -0.030 0.000 0.991 708 L CA -0.208 54.624 54.840 -0.014 0.000 0.818 708 L CB 2.530 44.563 42.059 -0.044 0.000 1.321 708 L HN -0.033 nan 8.230 nan 0.000 0.413 709 G N 1.918 110.680 108.800 -0.064 0.000 2.349 709 G HA2 0.469 4.429 3.960 0.000 0.000 0.294 709 G HA3 0.469 4.429 3.960 0.000 0.000 0.294 709 G C -1.970 172.870 174.900 -0.101 0.000 1.380 709 G CA -0.698 44.361 45.100 -0.069 0.000 0.811 709 G HN 0.382 nan 8.290 nan 0.000 0.519 710 I N 1.517 122.033 120.570 -0.090 0.000 2.355 710 I HA 0.300 4.470 4.170 0.000 0.000 0.288 710 I C -1.036 175.036 176.117 -0.075 0.000 0.999 710 I CA -0.654 60.553 61.300 -0.154 0.000 1.163 710 I CB 1.730 39.646 38.000 -0.140 0.000 1.316 710 I HN 0.210 nan 8.210 nan 0.000 0.454 711 D N 7.546 127.875 120.400 -0.118 0.000 2.441 711 D HA 0.514 5.154 4.640 0.000 0.000 0.231 711 D C -0.487 175.755 176.300 -0.096 0.000 1.073 711 D CA -0.152 53.843 54.000 -0.008 0.000 0.850 711 D CB 2.254 43.087 40.800 0.055 0.000 1.062 711 D HN 0.525 nan 8.370 nan 0.000 0.524 712 A N 1.880 124.712 122.820 0.020 0.000 2.355 712 A HA 0.634 4.954 4.320 0.000 0.000 0.317 712 A C -0.044 177.621 177.584 0.134 0.000 1.094 712 A CA -0.735 51.348 52.037 0.077 0.000 0.764 712 A CB 1.406 20.559 19.000 0.256 0.000 1.230 712 A HN 0.350 nan 8.150 nan 0.000 0.448 713 V N 0.478 120.452 119.914 0.100 0.000 2.630 713 V HA 0.907 5.027 4.120 0.000 0.000 0.305 713 V C -0.200 175.956 176.094 0.103 0.000 1.046 713 V CA -0.996 61.374 62.300 0.117 0.000 0.934 713 V CB 1.352 33.236 31.823 0.101 0.000 1.003 713 V HN 1.096 nan 8.190 nan 0.000 0.451 714 R N 3.028 123.579 120.500 0.084 0.000 2.740 714 R HA 0.844 5.184 4.340 0.000 0.000 0.282 714 R C -1.550 174.768 176.300 0.030 0.000 0.969 714 R CA -0.956 55.129 56.100 -0.024 0.000 0.918 714 R CB 2.101 32.256 30.300 -0.242 0.000 1.175 714 R HN 0.674 nan 8.270 nan 0.000 0.464 715 L N 2.755 123.992 121.223 0.024 0.000 2.295 715 L HA 0.427 4.767 4.340 0.000 0.000 0.281 715 L C -1.471 175.452 176.870 0.089 0.000 1.018 715 L CA -0.561 54.355 54.840 0.127 0.000 0.841 715 L CB 0.665 42.818 42.059 0.156 0.000 1.218 715 L HN 0.605 nan 8.230 nan 0.000 0.424 716 F N 4.604 124.581 119.950 0.044 0.000 2.490 716 F HA 0.244 4.771 4.527 0.000 0.000 0.357 716 F C 0.462 176.261 175.800 -0.002 0.000 1.166 716 F CA -0.110 57.908 58.000 0.031 0.000 1.116 716 F CB -0.308 38.713 39.000 0.034 0.000 1.171 716 F HN 0.519 nan 8.300 nan 0.000 0.576 717 D N 2.875 123.360 120.400 0.141 0.000 4.844 717 D HA -0.130 4.510 4.640 0.000 0.000 0.239 717 D C -2.467 173.786 176.300 -0.079 0.000 1.115 717 D CA -0.043 53.978 54.000 0.035 0.000 1.241 717 D CB -0.084 40.744 40.800 0.047 0.000 0.748 717 D HN 0.198 nan 8.370 nan 0.000 0.368 718 P HA 0.023 nan 4.420 nan 0.000 0.269 718 P C 0.304 177.260 177.300 -0.573 0.000 1.252 718 P CA -0.213 62.565 63.100 -0.536 0.000 0.780 718 P CB 0.445 31.500 31.700 -1.075 0.000 0.829 719 M N 3.848 123.246 119.600 -0.338 0.000 3.123 719 M HA 0.194 4.674 4.480 0.000 0.000 0.283 719 M C 0.894 177.158 176.300 -0.061 0.000 1.191 719 M CA -0.541 54.642 55.300 -0.196 0.000 1.012 719 M CB -0.998 31.559 32.600 -0.071 0.000 1.247 719 M HN 0.240 nan 8.290 nan 0.000 0.542 720 F N 0.874 120.835 119.950 0.018 0.000 2.027 720 F HA -0.391 4.136 4.527 0.000 0.000 0.297 720 F C 2.291 178.085 175.800 -0.010 0.000 1.129 720 F CA 1.169 59.174 58.000 0.008 0.000 1.195 720 F CB -0.933 38.069 39.000 0.004 0.000 0.960 720 F HN 0.538 nan 8.300 nan 0.000 0.485 721 S N -0.125 115.692 115.700 0.194 0.000 4.155 721 S HA -0.441 4.029 4.470 0.000 0.000 0.542 721 S C 0.107 174.741 174.600 0.057 0.000 1.863 721 S CA 1.530 59.777 58.200 0.077 0.000 4.239 721 S CB -1.547 61.665 63.200 0.020 0.000 0.331 721 S HN 0.575 nan 8.310 nan 0.000 0.461 722 D N -1.086 119.335 120.400 0.034 0.000 3.225 722 D HA 0.821 5.461 4.640 0.000 0.000 0.294 722 D C 1.137 177.450 176.300 0.022 0.000 1.306 722 D CA 0.140 54.150 54.000 0.018 0.000 1.019 722 D CB 0.382 41.181 40.800 -0.001 0.000 1.344 722 D HN 0.727 nan 8.370 nan 0.000 0.615 723 A N -0.382 122.447 122.820 0.015 0.000 1.874 723 A HA 0.028 4.348 4.320 0.000 0.000 0.214 723 A C 2.108 179.703 177.584 0.018 0.000 1.189 723 A CA 1.274 53.324 52.037 0.020 0.000 0.615 723 A CB -0.861 18.151 19.000 0.021 0.000 0.830 723 A HN 0.307 nan 8.150 nan 0.000 0.443 724 V N 0.499 120.419 119.914 0.009 0.000 2.439 724 V HA -0.354 3.766 4.120 0.000 0.000 0.253 724 V C 2.972 179.070 176.094 0.007 0.000 1.074 724 V CA 1.946 64.249 62.300 0.005 0.000 1.076 724 V CB -1.438 30.382 31.823 -0.006 0.000 0.664 724 V HN 0.608 nan 8.190 nan 0.000 0.461 725 A N -1.093 121.733 122.820 0.010 0.000 1.986 725 A HA -0.306 4.014 4.320 0.000 0.000 0.220 725 A C 1.763 179.361 177.584 0.022 0.000 1.171 725 A CA 1.868 53.913 52.037 0.014 0.000 0.640 725 A CB -0.456 18.555 19.000 0.019 0.000 0.811 725 A HN 0.702 nan 8.150 nan 0.000 0.451 726 N N -2.194 116.522 118.700 0.027 0.000 3.662 726 N HA -0.328 4.412 4.740 0.000 0.000 0.214 726 N C 1.092 176.626 175.510 0.040 0.000 0.173 726 N CA 2.084 55.153 53.050 0.031 0.000 3.089 726 N CB -1.319 37.183 38.487 0.025 0.000 1.212 726 N HN 0.447 nan 8.380 nan 0.000 0.333 727 L N 3.124 124.371 121.223 0.040 0.000 2.042 727 L HA -0.050 4.290 4.340 0.000 0.000 0.210 727 L C -0.881 176.028 176.870 0.066 0.000 1.076 727 L CA 2.259 57.129 54.840 0.050 0.000 0.749 727 L CB -1.105 40.982 42.059 0.046 0.000 0.893 727 L HN 0.307 nan 8.230 nan 0.000 0.432 728 P HA -0.087 nan 4.420 nan 0.000 0.212 728 P C 1.796 179.147 177.300 0.085 0.000 1.180 728 P CA 1.813 64.968 63.100 0.091 0.000 0.906 728 P CB -0.081 31.677 31.700 0.097 0.000 0.782 729 S N 0.118 115.861 115.700 0.073 0.000 2.365 729 S HA -0.209 4.261 4.470 0.000 0.000 0.225 729 S C 1.757 176.386 174.600 0.047 0.000 1.039 729 S CA 1.766 60.001 58.200 0.058 0.000 1.033 729 S CB -1.460 61.772 63.200 0.052 0.000 0.887 729 S HN 0.191 nan 8.310 nan 0.000 0.447 730 N N 2.253 120.982 118.700 0.048 0.000 2.166 730 N HA -0.007 4.733 4.740 0.000 0.000 0.186 730 N C 1.832 177.367 175.510 0.041 0.000 1.019 730 N CA 1.337 54.412 53.050 0.042 0.000 0.856 730 N CB -0.809 37.704 38.487 0.043 0.000 0.993 730 N HN 0.487 nan 8.380 nan 0.000 0.426 731 A N 1.356 124.210 122.820 0.056 0.000 1.898 731 A HA -0.068 4.252 4.320 0.000 0.000 0.216 731 A C 2.233 179.816 177.584 -0.000 0.000 1.181 731 A CA 0.927 52.997 52.037 0.055 0.000 0.620 731 A CB -0.863 18.195 19.000 0.096 0.000 0.819 731 A HN 0.224 nan 8.150 nan 0.000 0.442 732 L N 0.051 121.285 121.223 0.018 0.000 1.987 732 L HA -0.296 4.044 4.340 0.000 0.000 0.230 732 L C 2.730 179.581 176.870 -0.031 0.000 1.089 732 L CA 2.928 57.765 54.840 -0.005 0.000 0.802 732 L CB -0.919 41.148 42.059 0.014 0.000 0.905 732 L HN 0.403 nan 8.230 nan 0.000 0.441 733 A N -1.626 121.194 122.820 -0.000 0.000 1.915 733 A HA -0.344 3.976 4.320 0.000 0.000 0.220 733 A C 2.508 180.079 177.584 -0.021 0.000 1.198 733 A CA 2.665 54.715 52.037 0.020 0.000 0.647 733 A CB -1.455 17.572 19.000 0.044 0.000 0.825 733 A HN 0.642 nan 8.150 nan 0.000 0.456 734 S N -1.081 114.588 115.700 -0.051 0.000 2.359 734 S HA -0.158 4.312 4.470 0.000 0.000 0.224 734 S C 1.905 176.362 174.600 -0.237 0.000 1.035 734 S CA 1.607 59.747 58.200 -0.100 0.000 1.018 734 S CB -0.446 62.724 63.200 -0.050 0.000 0.876 734 S HN 0.465 nan 8.310 nan 0.000 0.448 735 L N 1.313 122.359 121.223 -0.296 0.000 2.079 735 L HA -0.038 4.302 4.340 0.000 0.000 0.210 735 L C 2.251 179.004 176.870 -0.196 0.000 1.081 735 L CA 1.358 55.990 54.840 -0.346 0.000 0.752 735 L CB -0.451 41.450 42.059 -0.264 0.000 0.896 735 L HN 0.200 nan 8.230 nan 0.000 0.433 736 V N -1.867 117.982 119.914 -0.109 0.000 2.427 736 V HA -0.259 3.861 4.120 0.000 0.000 0.248 736 V C 2.641 178.719 176.094 -0.026 0.000 1.051 736 V CA 1.748 64.025 62.300 -0.037 0.000 1.048 736 V CB -0.389 31.460 31.823 0.043 0.000 0.666 736 V HN 0.537 nan 8.190 nan 0.000 0.456 737 S N -0.226 115.443 115.700 -0.050 0.000 2.382 737 S HA -0.252 4.218 4.470 0.000 0.000 0.228 737 S C 2.179 176.741 174.600 -0.064 0.000 1.027 737 S CA 1.880 60.042 58.200 -0.064 0.000 0.991 737 S CB -0.271 62.884 63.200 -0.076 0.000 0.823 737 S HN 0.518 nan 8.310 nan 0.000 0.469 738 R N 1.014 121.461 120.500 -0.088 0.000 2.096 738 R HA -0.047 4.293 4.340 0.000 0.000 0.235 738 R C 2.100 178.357 176.300 -0.072 0.000 1.127 738 R CA 2.065 58.123 56.100 -0.071 0.000 0.968 738 R CB -0.728 29.511 30.300 -0.102 0.000 0.861 738 R HN 0.479 nan 8.270 nan 0.000 0.440 739 V N -3.522 116.340 119.914 -0.088 0.000 2.825 739 V HA 0.225 4.345 4.120 0.000 0.000 0.246 739 V C 0.796 176.850 176.094 -0.067 0.000 1.068 739 V CA 0.142 62.391 62.300 -0.084 0.000 1.088 739 V CB -0.231 31.536 31.823 -0.094 0.000 0.733 739 V HN -0.018 nan 8.190 nan 0.000 0.468 740 V N 1.654 121.541 119.914 -0.044 0.000 4.364 740 V HA -0.130 3.990 4.120 0.000 0.000 0.463 740 V C -1.443 174.637 176.094 -0.023 0.000 0.683 740 V CA 0.413 62.698 62.300 -0.025 0.000 1.829 740 V CB -1.680 30.119 31.823 -0.040 0.000 2.191 740 V HN 0.813 nan 8.190 nan 0.000 0.495 741 P HA -0.225 nan 4.420 nan 0.000 0.020 741 P C 0.785 178.074 177.300 -0.017 0.000 0.552 741 P CA 1.815 64.916 63.100 0.002 0.000 1.026 741 P CB -0.384 31.333 31.700 0.028 0.000 1.877 742 S N -2.003 113.676 115.700 -0.034 0.000 3.334 742 S HA 0.203 4.673 4.470 0.000 0.000 0.224 742 S C 0.565 175.146 174.600 -0.031 0.000 0.959 742 S CA 0.407 58.582 58.200 -0.042 0.000 0.815 742 S CB 0.188 63.343 63.200 -0.075 0.000 0.861 742 S HN 0.270 nan 8.310 nan 0.000 0.596 743 S N 0.965 116.643 115.700 -0.038 0.000 2.473 743 S HA 0.785 5.255 4.470 0.000 0.000 0.307 743 S C -1.032 173.566 174.600 -0.004 0.000 1.094 743 S CA -0.613 57.580 58.200 -0.010 0.000 1.070 743 S CB 1.314 64.508 63.200 -0.011 0.000 1.019 743 S HN 0.750 nan 8.310 nan 0.000 0.480 744 I N 2.847 123.436 120.570 0.032 0.000 2.630 744 I HA 0.418 4.588 4.170 0.000 0.000 0.279 744 I C -1.492 174.673 176.117 0.080 0.000 1.235 744 I CA -0.634 60.684 61.300 0.031 0.000 1.096 744 I CB 1.268 39.248 38.000 -0.033 0.000 1.318 744 I HN 0.906 nan 8.210 nan 0.000 0.457 745 M N 7.373 127.064 119.600 0.151 0.000 2.508 745 M HA 0.650 5.130 4.480 0.000 0.000 0.327 745 M C -1.326 175.149 176.300 0.291 0.000 1.160 745 M CA -0.793 54.616 55.300 0.183 0.000 0.980 745 M CB 1.961 34.593 32.600 0.054 0.000 1.693 745 M HN 0.448 nan 8.290 nan 0.000 0.452 746 F N -0.083 119.845 119.950 -0.037 0.000 2.578 746 F HA 0.889 5.416 4.527 0.000 0.000 0.311 746 F C -0.973 174.816 175.800 -0.019 0.000 1.094 746 F CA -1.854 56.133 58.000 -0.022 0.000 0.923 746 F CB 0.865 39.843 39.000 -0.036 0.000 1.230 746 F HN 0.543 nan 8.300 nan 0.000 0.450 747 T N 0.081 114.523 114.554 -0.187 0.000 3.237 747 T HA 0.397 4.747 4.350 0.000 0.000 0.319 747 T C -1.004 173.660 174.700 -0.060 0.000 1.037 747 T CA -0.828 61.144 62.100 -0.213 0.000 1.048 747 T CB 1.735 70.521 68.868 -0.138 0.000 1.081 747 T HN 1.056 nan 8.240 nan 0.000 0.455 748 R N 3.380 123.856 120.500 -0.039 0.000 2.429 748 R HA 0.405 4.745 4.340 0.000 0.000 0.302 748 R C 0.407 176.815 176.300 0.179 0.000 1.268 748 R CA -0.453 55.700 56.100 0.089 0.000 1.090 748 R CB -0.283 30.080 30.300 0.106 0.000 1.102 748 R HN 0.747 nan 8.270 nan 0.000 0.522 749 V N 3.161 123.160 119.914 0.141 0.000 2.521 749 V HA 0.236 4.356 4.120 0.000 0.000 0.286 749 V C -1.970 174.217 176.094 0.155 0.000 1.034 749 V CA -2.007 60.364 62.300 0.118 0.000 1.045 749 V CB 0.500 32.356 31.823 0.056 0.000 0.974 749 V HN 0.611 nan 8.190 nan 0.000 0.480 750 P HA 0.092 nan 4.420 nan 0.000 0.253 750 P C -0.109 177.070 177.300 -0.201 0.000 1.170 750 P CA 0.834 63.718 63.100 -0.360 0.000 0.806 750 P CB 0.105 31.585 31.700 -0.367 0.000 0.775 751 S N 1.997 117.588 115.700 -0.182 0.000 2.558 751 S HA 0.360 4.830 4.470 0.000 0.000 0.277 751 S C -1.258 173.342 174.600 0.001 0.000 1.143 751 S CA -1.074 57.095 58.200 -0.052 0.000 0.865 751 S CB 0.724 63.937 63.200 0.022 0.000 1.102 751 S HN 0.368 nan 8.310 nan 0.000 0.454 752 N N 0.809 119.520 118.700 0.018 0.000 2.479 752 N HA 0.662 5.402 4.740 0.000 0.000 0.261 752 N C 0.310 175.866 175.510 0.078 0.000 0.979 752 N CA 0.108 53.193 53.050 0.057 0.000 0.930 752 N CB 1.544 40.056 38.487 0.041 0.000 1.172 752 N HN 1.209 nan 8.380 nan 0.000 0.499 753 G N 3.061 111.922 108.800 0.102 0.000 2.348 753 G HA2 -0.150 3.810 3.960 0.000 0.000 0.199 753 G HA3 -0.150 3.810 3.960 0.000 0.000 0.199 753 G C -2.970 171.997 174.900 0.111 0.000 1.235 753 G CA -0.876 44.284 45.100 0.101 0.000 1.264 753 G HN 0.318 nan 8.290 nan 0.000 0.543 754 P HA 0.461 nan 4.420 nan 0.000 0.281 754 P C 0.020 177.397 177.300 0.128 0.000 1.286 754 P CA -0.216 62.972 63.100 0.147 0.000 0.772 754 P CB 1.338 33.180 31.700 0.236 0.000 0.862 755 V N 3.879 123.866 119.914 0.121 0.000 2.326 755 V HA 0.031 4.151 4.120 0.000 0.000 0.249 755 V C 1.026 177.168 176.094 0.080 0.000 1.114 755 V CA 0.128 62.506 62.300 0.129 0.000 1.028 755 V CB -0.268 31.673 31.823 0.198 0.000 1.170 755 V HN 0.508 nan 8.190 nan 0.000 0.494 756 S N 4.140 119.861 115.700 0.034 0.000 2.481 756 S HA 0.113 4.583 4.470 0.000 0.000 0.282 756 S C 0.687 175.295 174.600 0.014 0.000 1.243 756 S CA -0.331 57.839 58.200 -0.050 0.000 1.078 756 S CB 0.062 63.162 63.200 -0.167 0.000 0.916 756 S HN 0.798 nan 8.310 nan 0.000 0.495 757 T N 5.472 120.046 114.554 0.033 0.000 3.262 757 T HA 0.191 4.541 4.350 0.000 0.000 0.374 757 T C 0.086 174.846 174.700 0.100 0.000 1.504 757 T CA -0.440 61.725 62.100 0.109 0.000 1.158 757 T CB 0.100 69.117 68.868 0.249 0.000 1.157 757 T HN 0.569 nan 8.240 nan 0.000 0.644 758 T N 3.882 118.473 114.554 0.061 0.000 2.867 758 T HA 0.255 4.605 4.350 0.000 0.000 0.297 758 T C 0.413 175.189 174.700 0.127 0.000 0.989 758 T CA 0.134 62.285 62.100 0.085 0.000 1.159 758 T CB -0.082 68.849 68.868 0.104 0.000 0.928 758 T HN 0.380 nan 8.240 nan 0.000 0.538 759 I N 4.119 124.773 120.570 0.141 0.000 2.389 759 I HA 0.350 4.520 4.170 0.000 0.000 0.288 759 I C -0.681 175.523 176.117 0.145 0.000 0.999 759 I CA -0.991 60.400 61.300 0.152 0.000 1.129 759 I CB 1.022 39.093 38.000 0.118 0.000 1.288 759 I HN 0.542 nan 8.210 nan 0.000 0.444 760 Y N 5.902 126.182 120.300 -0.034 0.000 2.364 760 Y HA 0.859 5.409 4.550 0.000 0.000 0.340 760 Y C -0.118 175.727 175.900 -0.092 0.000 0.975 760 Y CA -0.894 57.149 58.100 -0.094 0.000 1.089 760 Y CB 1.682 39.991 38.460 -0.252 0.000 1.192 760 Y HN 0.592 nan 8.280 nan 0.000 0.454 761 G N 4.585 113.127 108.800 -0.430 0.000 2.680 761 G HA2 0.541 4.501 3.960 0.000 0.000 0.290 761 G HA3 0.541 4.501 3.960 0.000 0.000 0.290 761 G C -1.887 172.722 174.900 -0.486 0.000 1.355 761 G CA -1.327 43.534 45.100 -0.398 0.000 0.903 761 G HN 0.521 nan 8.290 nan 0.000 0.474 762 K N 0.845 121.067 120.400 -0.296 0.000 2.358 762 K HA 0.332 4.652 4.320 0.000 0.000 0.260 762 K C -0.018 176.493 176.600 -0.148 0.000 0.956 762 K CA -0.671 55.482 56.287 -0.223 0.000 0.834 762 K CB 2.172 34.559 32.500 -0.188 0.000 1.102 762 K HN 0.692 nan 8.250 nan 0.000 0.431 763 R N 0.805 121.239 120.500 -0.111 0.000 2.390 763 R HA 0.293 4.633 4.340 0.000 0.000 0.291 763 R C -0.445 175.816 176.300 -0.066 0.000 1.070 763 R CA -0.412 55.645 56.100 -0.070 0.000 1.014 763 R CB 0.469 30.754 30.300 -0.024 0.000 1.007 763 R HN 0.528 nan 8.270 nan 0.000 0.466 764 T N -0.068 114.444 114.554 -0.071 0.000 2.907 764 T HA 0.253 4.603 4.350 0.000 0.000 0.292 764 T C 0.903 175.594 174.700 -0.016 0.000 1.043 764 T CA -0.970 61.090 62.100 -0.066 0.000 1.003 764 T CB 1.022 69.761 68.868 -0.216 0.000 1.084 764 T HN 0.636 nan 8.240 nan 0.000 0.483 765 F N 1.389 121.320 119.950 -0.032 0.000 2.111 765 F HA -0.149 4.378 4.527 0.000 0.000 0.300 765 F C 1.671 177.471 175.800 -0.000 0.000 1.088 765 F CA 1.117 59.107 58.000 -0.017 0.000 1.243 765 F CB -1.140 37.855 39.000 -0.009 0.000 0.996 765 F HN 0.433 nan 8.300 nan 0.000 0.483 766 L N 1.300 122.038 121.223 -0.809 0.000 1.989 766 L HA -0.262 4.078 4.340 0.000 0.000 0.211 766 L C 3.081 179.820 176.870 -0.219 0.000 1.071 766 L CA 1.993 56.496 54.840 -0.562 0.000 0.749 766 L CB -1.164 40.480 42.059 -0.691 0.000 0.890 766 L HN 0.515 nan 8.230 nan 0.000 0.431 767 S N -0.372 115.211 115.700 -0.195 0.000 2.387 767 S HA -0.248 4.222 4.470 0.000 0.000 0.230 767 S C 1.697 176.263 174.600 -0.056 0.000 1.035 767 S CA 1.700 59.837 58.200 -0.105 0.000 1.014 767 S CB -0.857 62.286 63.200 -0.095 0.000 0.836 767 S HN 0.463 nan 8.310 nan 0.000 0.466 768 N N 1.712 120.393 118.700 -0.031 0.000 2.149 768 N HA -0.087 4.653 4.740 0.000 0.000 0.188 768 N C 2.048 177.564 175.510 0.010 0.000 1.019 768 N CA 1.359 54.411 53.050 0.005 0.000 0.857 768 N CB -0.220 38.288 38.487 0.035 0.000 0.997 768 N HN 0.556 nan 8.380 nan 0.000 0.426 769 R N 0.855 121.365 120.500 0.016 0.000 2.070 769 R HA -0.093 4.247 4.340 0.000 0.000 0.233 769 R C 2.338 178.643 176.300 0.009 0.000 1.137 769 R CA 1.046 57.163 56.100 0.027 0.000 0.945 769 R CB -0.290 30.039 30.300 0.049 0.000 0.845 769 R HN 0.048 nan 8.270 nan 0.000 0.430 770 R N 1.328 121.824 120.500 -0.008 0.000 2.083 770 R HA -0.130 4.210 4.340 0.000 0.000 0.237 770 R C 2.129 178.413 176.300 -0.026 0.000 1.137 770 R CA 1.742 57.834 56.100 -0.013 0.000 0.951 770 R CB -0.436 29.851 30.300 -0.022 0.000 0.851 770 R HN 0.087 nan 8.270 nan 0.000 0.434 771 R N -0.602 119.878 120.500 -0.032 0.000 2.117 771 R HA -0.122 4.218 4.340 0.000 0.000 0.243 771 R C 1.949 178.223 176.300 -0.042 0.000 1.143 771 R CA 1.639 57.712 56.100 -0.044 0.000 0.968 771 R CB -0.370 29.913 30.300 -0.028 0.000 0.863 771 R HN 0.351 nan 8.270 nan 0.000 0.444 772 A N 0.328 123.137 122.820 -0.019 0.000 1.969 772 A HA -0.126 4.194 4.320 0.000 0.000 0.218 772 A C 2.093 179.670 177.584 -0.012 0.000 1.169 772 A CA 1.065 53.095 52.037 -0.011 0.000 0.635 772 A CB -0.408 18.595 19.000 0.004 0.000 0.810 772 A HN 0.289 nan 8.150 nan 0.000 0.445 773 R N -0.678 119.818 120.500 -0.008 0.000 2.235 773 R HA 0.103 4.443 4.340 0.000 0.000 0.213 773 R C -0.237 176.059 176.300 -0.006 0.000 1.059 773 R CA -0.027 56.077 56.100 0.006 0.000 0.997 773 R CB -0.341 29.973 30.300 0.023 0.000 0.884 773 R HN 0.470 nan 8.270 nan 0.000 0.462 774 L N 1.061 122.246 121.223 -0.063 0.000 2.455 774 L HA 0.059 4.399 4.340 0.000 0.000 0.272 774 L C 1.740 178.521 176.870 -0.150 0.000 1.174 774 L CA 0.128 54.870 54.840 -0.164 0.000 0.869 774 L CB 0.721 42.602 42.059 -0.297 0.000 1.130 774 L HN 0.092 nan 8.230 nan 0.000 0.474 775 R N 1.017 121.409 120.500 -0.179 0.000 2.073 775 R HA 0.022 4.362 4.340 0.000 0.000 0.229 775 R C -0.216 175.950 176.300 -0.222 0.000 1.120 775 R CA 1.034 57.056 56.100 -0.130 0.000 0.967 775 R CB 0.356 30.695 30.300 0.065 0.000 0.862 775 R HN 0.752 nan 8.270 nan 0.000 0.436 776 D N -1.764 118.301 120.400 -0.558 0.000 2.710 776 D HA 0.117 4.757 4.640 0.000 0.000 0.276 776 D C -1.518 174.332 176.300 -0.750 0.000 1.267 776 D CA -0.504 53.223 54.000 -0.454 0.000 0.772 776 D CB 2.310 42.991 40.800 -0.197 0.000 1.299 776 D HN -0.191 nan 8.370 nan 0.000 0.421 777 V N 1.401 121.106 119.914 -0.349 0.000 2.311 777 V HA 0.318 4.438 4.120 0.000 0.000 0.275 777 V C -2.267 173.784 176.094 -0.072 0.000 1.022 777 V CA -1.499 60.656 62.300 -0.242 0.000 0.830 777 V CB 0.899 32.648 31.823 -0.124 0.000 1.012 777 V HN 0.296 nan 8.190 nan 0.000 0.452 778 P HA 0.100 nan 4.420 nan 0.000 0.265 778 P C -0.064 177.345 177.300 0.182 0.000 1.222 778 P CA 0.052 63.239 63.100 0.144 0.000 0.767 778 P CB 0.597 32.403 31.700 0.176 0.000 0.801 779 M N 4.843 124.520 119.600 0.129 0.000 2.720 779 M HA 0.014 4.494 4.480 0.000 0.000 0.328 779 M C 0.829 177.200 176.300 0.118 0.000 1.682 779 M CA -0.190 55.171 55.300 0.102 0.000 1.381 779 M CB -0.673 31.965 32.600 0.064 0.000 1.868 779 M HN 0.283 nan 8.290 nan 0.000 0.459 780 L N 2.456 123.749 121.223 0.117 0.000 2.529 780 L HA 0.179 4.519 4.340 0.000 0.000 0.287 780 L C 0.131 176.966 176.870 -0.058 0.000 1.241 780 L CA 0.010 54.843 54.840 -0.010 0.000 0.857 780 L CB 0.121 42.010 42.059 -0.283 0.000 1.113 780 L HN 0.580 nan 8.230 nan 0.000 0.504 781 I N 3.596 124.120 120.570 -0.076 0.000 2.792 781 I HA -0.103 4.067 4.170 0.000 0.000 0.284 781 I C 1.684 177.741 176.117 -0.100 0.000 1.166 781 I CA 0.985 62.245 61.300 -0.066 0.000 1.375 781 I CB 0.466 38.437 38.000 -0.047 0.000 1.421 781 I HN 1.031 nan 8.210 nan 0.000 0.544 782 T N 1.085 115.596 114.554 -0.071 0.000 2.802 782 T HA -0.276 4.074 4.350 0.000 0.000 0.269 782 T C 1.671 176.291 174.700 -0.135 0.000 1.062 782 T CA 1.872 63.925 62.100 -0.079 0.000 1.133 782 T CB -1.038 67.830 68.868 -0.000 0.000 0.852 782 T HN 0.777 nan 8.240 nan 0.000 0.485 783 T N 0.474 114.952 114.554 -0.126 0.000 2.867 783 T HA -0.142 4.208 4.350 0.000 0.000 0.268 783 T C 2.243 176.797 174.700 -0.243 0.000 1.057 783 T CA 1.661 63.648 62.100 -0.189 0.000 1.136 783 T CB -1.306 67.489 68.868 -0.122 0.000 0.874 783 T HN 0.701 nan 8.240 nan 0.000 0.466 784 T N 1.316 115.797 114.554 -0.122 0.000 2.821 784 T HA 0.045 4.395 4.350 0.000 0.000 0.267 784 T C 1.997 176.622 174.700 -0.124 0.000 1.046 784 T CA 0.997 63.070 62.100 -0.044 0.000 1.139 784 T CB -0.857 67.944 68.868 -0.113 0.000 0.871 784 T HN 0.395 nan 8.240 nan 0.000 0.454 785 L N 0.832 121.885 121.223 -0.284 0.000 2.056 785 L HA -0.001 4.339 4.340 0.000 0.000 0.207 785 L C 2.984 179.608 176.870 -0.411 0.000 1.078 785 L CA 0.765 55.385 54.840 -0.366 0.000 0.749 785 L CB -0.702 40.962 42.059 -0.659 0.000 0.901 785 L HN 0.137 nan 8.230 nan 0.000 0.433 786 V N -1.132 118.539 119.914 -0.404 0.000 2.407 786 V HA -0.285 3.835 4.120 0.000 0.000 0.248 786 V C 2.493 178.493 176.094 -0.156 0.000 1.055 786 V CA 1.468 63.644 62.300 -0.207 0.000 1.049 786 V CB -0.932 30.847 31.823 -0.073 0.000 0.662 786 V HN 0.445 nan 8.190 nan 0.000 0.455 787 H N 1.273 120.326 119.070 -0.029 0.000 2.478 787 H HA -0.207 4.349 4.556 0.000 0.000 0.294 787 H C 1.659 176.978 175.328 -0.015 0.000 1.125 787 H CA 1.561 57.600 56.048 -0.015 0.000 1.225 787 H CB -0.441 29.306 29.762 -0.024 0.000 1.360 787 H HN 0.751 nan 8.280 nan 0.000 0.519 788 Q N 0.796 120.633 119.800 0.062 0.000 2.553 788 Q HA 0.205 4.545 4.340 0.000 0.000 0.221 788 Q C 0.470 176.475 176.000 0.010 0.000 1.219 788 Q CA -0.140 55.673 55.803 0.016 0.000 0.955 788 Q CB 0.453 29.182 28.738 -0.015 0.000 1.399 788 Q HN 0.127 nan 8.270 nan 0.000 0.551 789 R N 1.459 121.945 120.500 -0.022 0.000 2.319 789 R HA 0.020 4.360 4.340 0.000 0.000 0.204 789 R C -0.002 176.277 176.300 -0.036 0.000 0.954 789 R CA 0.309 56.404 56.100 -0.007 0.000 1.066 789 R CB 0.150 30.407 30.300 -0.072 0.000 0.991 789 R HN 0.671 nan 8.270 nan 0.000 0.486 790 R N -1.605 118.841 120.500 -0.090 0.000 3.328 790 R HA 0.376 4.716 4.340 0.000 0.000 0.232 790 R C -0.943 175.217 176.300 -0.234 0.000 1.606 790 R CA -0.556 55.456 56.100 -0.148 0.000 1.025 790 R CB -0.097 30.178 30.300 -0.041 0.000 1.701 790 R HN -0.258 nan 8.270 nan 0.000 0.526 791 F N 0.855 120.826 119.950 0.035 0.000 2.388 791 F HA 0.481 5.008 4.527 0.000 0.000 0.358 791 F C -0.352 175.434 175.800 -0.023 0.000 1.122 791 F CA -0.441 57.567 58.000 0.014 0.000 1.056 791 F CB 1.978 40.995 39.000 0.028 0.000 1.155 791 F HN 0.533 nan 8.300 nan 0.000 0.461 792 T N -0.810 113.842 114.554 0.163 0.000 2.779 792 T HA 0.490 4.840 4.350 0.000 0.000 0.280 792 T C 0.119 174.835 174.700 0.026 0.000 0.987 792 T CA -0.991 61.128 62.100 0.032 0.000 0.966 792 T CB 1.114 69.921 68.868 -0.102 0.000 0.933 792 T HN 0.576 nan 8.240 nan 0.000 0.442 793 T N 1.640 116.195 114.554 0.000 0.000 2.900 793 T HA 0.369 4.719 4.350 0.000 0.000 0.307 793 T C -2.376 172.308 174.700 -0.027 0.000 1.065 793 T CA -1.439 60.655 62.100 -0.009 0.000 1.105 793 T CB 0.006 68.864 68.868 -0.016 0.000 0.979 793 T HN 0.453 nan 8.240 nan 0.000 0.544 794 P HA 0.280 nan 4.420 nan 0.000 0.274 794 P C -2.569 174.702 177.300 -0.049 0.000 1.231 794 P CA -1.620 61.483 63.100 0.004 0.000 0.790 794 P CB -0.450 31.301 31.700 0.086 0.000 0.951 795 P HA 0.039 nan 4.420 nan 0.000 0.275 795 P C 1.154 178.390 177.300 -0.107 0.000 1.228 795 P CA 0.050 62.949 63.100 -0.335 0.000 0.786 795 P CB 0.133 31.345 31.700 -0.814 0.000 0.927 796 T N -1.383 113.135 114.554 -0.061 0.000 3.007 796 T HA -0.062 4.288 4.350 0.000 0.000 0.270 796 T C 0.278 175.176 174.700 0.330 0.000 1.107 796 T CA 0.032 62.207 62.100 0.125 0.000 1.118 796 T CB -1.117 67.776 68.868 0.042 0.000 0.889 796 T HN 0.302 nan 8.240 nan 0.000 0.506 797 F N 0.630 120.540 119.950 -0.066 0.000 2.160 797 F HA -0.034 4.493 4.527 0.000 0.000 0.416 797 F C 0.292 176.152 175.800 0.099 0.000 1.174 797 F CA 0.406 58.463 58.000 0.096 0.000 1.373 797 F CB -2.112 36.985 39.000 0.162 0.000 2.115 797 F HN 0.320 nan 8.300 nan 0.000 0.747 798 T N 3.743 118.432 114.554 0.225 0.000 3.011 798 T HA 0.522 4.872 4.350 0.000 0.000 0.303 798 T C 0.419 175.195 174.700 0.127 0.000 0.997 798 T CA -0.600 61.589 62.100 0.149 0.000 1.007 798 T CB 1.177 70.109 68.868 0.106 0.000 1.017 798 T HN 0.492 nan 8.240 nan 0.000 0.443 799 L N 5.201 126.458 121.223 0.057 0.000 1.994 799 L HA 0.333 4.673 4.340 0.000 0.000 0.208 799 L C 0.272 177.049 176.870 -0.155 0.000 1.071 799 L CA 1.847 56.661 54.840 -0.044 0.000 0.745 799 L CB -0.185 41.828 42.059 -0.077 0.000 0.892 799 L HN 0.636 nan 8.230 nan 0.000 0.431 800 F N -1.655 118.288 119.950 -0.012 0.000 2.380 800 F HA 0.290 4.817 4.527 0.000 0.000 0.321 800 F C 1.347 177.169 175.800 0.036 0.000 1.103 800 F CA 0.172 58.177 58.000 0.009 0.000 1.067 800 F CB 1.319 40.313 39.000 -0.011 0.000 1.265 800 F HN 0.078 nan 8.300 nan 0.000 0.517 801 S N 0.052 115.876 115.700 0.207 0.000 3.171 801 S HA 0.287 4.757 4.470 0.000 0.000 0.170 801 S C 0.994 175.687 174.600 0.155 0.000 0.773 801 S CA 0.611 58.891 58.200 0.133 0.000 1.114 801 S CB 0.154 63.397 63.200 0.072 0.000 0.657 801 S HN 0.646 nan 8.310 nan 0.000 0.624 802 S N 0.698 116.480 115.700 0.137 0.000 3.889 802 S HA 0.503 4.973 4.470 0.000 0.000 0.185 802 S C -0.655 174.012 174.600 0.111 0.000 0.937 802 S CA 0.498 58.765 58.200 0.111 0.000 0.985 802 S CB -0.246 62.999 63.200 0.075 0.000 1.299 802 S HN 0.890 nan 8.310 nan 0.000 0.673 803 E N 0.473 120.733 120.200 0.099 0.000 2.409 803 E HA 0.705 5.055 4.350 0.000 0.000 0.280 803 E C -1.415 175.237 176.600 0.087 0.000 1.079 803 E CA -0.584 55.870 56.400 0.090 0.000 0.840 803 E CB 0.769 30.511 29.700 0.069 0.000 1.309 803 E HN 0.663 nan 8.360 nan 0.000 0.447 804 A N 1.264 124.137 122.820 0.088 0.000 2.366 804 A HA 0.548 4.868 4.320 0.000 0.000 0.322 804 A C -0.344 177.284 177.584 0.073 0.000 1.397 804 A CA -0.800 51.291 52.037 0.090 0.000 0.984 804 A CB 0.108 19.175 19.000 0.111 0.000 1.149 804 A HN 0.427 nan 8.150 nan 0.000 0.540 805 V N 6.229 126.178 119.914 0.058 0.000 2.493 805 V HA 0.015 4.135 4.120 0.000 0.000 0.292 805 V C -1.122 174.988 176.094 0.027 0.000 1.016 805 V CA -0.504 61.821 62.300 0.042 0.000 1.097 805 V CB 0.734 32.577 31.823 0.033 0.000 0.947 805 V HN 0.778 nan 8.190 nan 0.000 0.479 806 P HA -0.252 nan 4.420 nan 0.000 0.212 806 P C 1.908 179.145 177.300 -0.106 0.000 1.174 806 P CA 2.306 65.401 63.100 -0.008 0.000 0.934 806 P CB -0.229 31.490 31.700 0.031 0.000 0.791 807 V N -1.493 118.346 119.914 -0.125 0.000 2.252 807 V HA -0.365 3.755 4.120 0.000 0.000 0.255 807 V C 2.087 178.047 176.094 -0.223 0.000 1.071 807 V CA 3.644 65.802 62.300 -0.236 0.000 1.050 807 V CB -2.653 29.064 31.823 -0.176 0.000 0.654 807 V HN 0.303 nan 8.190 nan 0.000 0.448 808 T N -0.070 114.413 114.554 -0.117 0.000 2.746 808 T HA -0.249 4.101 4.350 0.000 0.000 0.267 808 T C 2.075 176.750 174.700 -0.041 0.000 1.039 808 T CA 2.815 64.873 62.100 -0.069 0.000 1.142 808 T CB -1.629 67.240 68.868 0.002 0.000 0.866 808 T HN 0.994 nan 8.240 nan 0.000 0.444 809 T N 2.001 116.545 114.554 -0.017 0.000 2.620 809 T HA -0.173 4.177 4.350 0.000 0.000 0.267 809 T C 1.989 176.601 174.700 -0.147 0.000 1.044 809 T CA 1.614 63.717 62.100 0.005 0.000 1.161 809 T CB -1.118 67.788 68.868 0.063 0.000 0.862 809 T HN 0.385 nan 8.240 nan 0.000 0.438 810 L N 0.578 121.653 121.223 -0.246 0.000 2.093 810 L HA -0.038 4.302 4.340 0.000 0.000 0.208 810 L C 3.034 179.733 176.870 -0.285 0.000 1.085 810 L CA 0.905 55.548 54.840 -0.329 0.000 0.755 810 L CB -0.503 41.332 42.059 -0.373 0.000 0.904 810 L HN 0.228 nan 8.230 nan 0.000 0.435 811 V N -0.157 119.582 119.914 -0.291 0.000 2.270 811 V HA -0.257 3.863 4.120 0.000 0.000 0.245 811 V C 2.772 178.524 176.094 -0.571 0.000 1.043 811 V CA 1.655 63.692 62.300 -0.437 0.000 1.014 811 V CB -1.073 30.472 31.823 -0.464 0.000 0.645 811 V HN 0.467 nan 8.190 nan 0.000 0.447 812 A N 0.381 123.061 122.820 -0.235 0.000 1.971 812 A HA -0.297 4.023 4.320 0.000 0.000 0.222 812 A C 2.412 180.006 177.584 0.017 0.000 1.182 812 A CA 2.686 54.767 52.037 0.072 0.000 0.649 812 A CB -0.938 18.319 19.000 0.428 0.000 0.818 812 A HN 0.661 nan 8.150 nan 0.000 0.458 813 A N -0.783 121.981 122.820 -0.093 0.000 1.933 813 A HA 0.107 4.427 4.320 0.000 0.000 0.218 813 A C 2.439 179.933 177.584 -0.151 0.000 1.175 813 A CA 2.021 53.927 52.037 -0.220 0.000 0.628 813 A CB -1.389 17.127 19.000 -0.807 0.000 0.814 813 A HN 0.820 nan 8.150 nan 0.000 0.444 814 G N -1.506 107.215 108.800 -0.133 0.000 2.421 814 G HA2 -0.214 3.746 3.960 0.000 0.000 0.216 814 G HA3 -0.214 3.746 3.960 0.000 0.000 0.216 814 G C 1.472 176.456 174.900 0.141 0.000 1.171 814 G CA 1.134 46.250 45.100 0.026 0.000 0.775 814 G HN 0.450 nan 8.290 nan 0.000 0.543 815 Y N 1.289 121.545 120.300 -0.074 0.000 2.165 815 Y HA -0.146 4.404 4.550 0.000 0.000 0.286 815 Y C 2.708 178.466 175.900 -0.236 0.000 1.155 815 Y CA 0.593 58.587 58.100 -0.176 0.000 1.164 815 Y CB -1.013 37.251 38.460 -0.326 0.000 0.978 815 Y HN 0.260 nan 8.280 nan 0.000 0.513 816 N N -0.300 118.314 118.700 -0.142 0.000 2.036 816 N HA -0.215 4.526 4.740 0.000 0.000 0.195 816 N C 2.253 177.785 175.510 0.035 0.000 1.037 816 N CA 1.656 54.683 53.050 -0.038 0.000 0.855 816 N CB -0.168 38.407 38.487 0.146 0.000 1.033 816 N HN 0.290 nan 8.380 nan 0.000 0.423 817 S N -0.048 115.687 115.700 0.060 0.000 2.365 817 S HA -0.189 4.281 4.470 0.000 0.000 0.225 817 S C 1.835 176.480 174.600 0.076 0.000 1.039 817 S CA 1.155 59.377 58.200 0.038 0.000 1.033 817 S CB -0.690 62.519 63.200 0.014 0.000 0.887 817 S HN 0.435 nan 8.310 nan 0.000 0.447 818 F N 2.418 122.280 119.950 -0.147 0.000 2.025 818 F HA -0.156 4.371 4.527 0.000 0.000 0.297 818 F C 1.836 177.465 175.800 -0.284 0.000 1.132 818 F CA 1.918 59.589 58.000 -0.549 0.000 1.191 818 F CB -0.993 37.695 39.000 -0.521 0.000 0.963 818 F HN 0.266 nan 8.300 nan 0.000 0.481 819 I N 0.316 120.575 120.570 -0.519 0.000 2.113 819 I HA -0.393 3.777 4.170 0.000 0.000 0.242 819 I C 2.534 178.478 176.117 -0.289 0.000 1.064 819 I CA 2.052 63.108 61.300 -0.408 0.000 1.320 819 I CB -1.128 36.823 38.000 -0.083 0.000 1.028 819 I HN 0.336 nan 8.210 nan 0.000 0.406 820 S N -0.282 115.331 115.700 -0.146 0.000 2.527 820 S HA 0.004 4.474 4.470 0.000 0.000 0.222 820 S C 1.072 175.647 174.600 -0.040 0.000 0.985 820 S CA 0.244 58.409 58.200 -0.059 0.000 0.921 820 S CB -0.204 63.002 63.200 0.011 0.000 0.772 820 S HN 0.364 nan 8.310 nan 0.000 0.529 821 E N 2.049 122.215 120.200 -0.056 0.000 2.434 821 E HA 0.295 4.645 4.350 0.000 0.000 0.243 821 E C -0.698 175.920 176.600 0.031 0.000 1.250 821 E CA -0.152 56.286 56.400 0.064 0.000 1.568 821 E CB 0.068 29.926 29.700 0.264 0.000 1.435 821 E HN 0.297 nan 8.360 nan 0.000 0.432 822 Q N 0.918 120.654 119.800 -0.107 0.000 2.324 822 Q HA 0.104 4.444 4.340 0.000 0.000 0.257 822 Q C 0.854 176.860 176.000 0.010 0.000 1.080 822 Q CA 0.517 56.254 55.803 -0.111 0.000 0.907 822 Q CB 0.266 28.902 28.738 -0.169 0.000 1.274 822 Q HN 0.608 nan 8.270 nan 0.000 0.434 823 T N 1.056 115.655 114.554 0.074 0.000 13.704 823 T HA -0.379 3.971 4.350 0.000 0.000 0.419 823 T C 0.353 175.099 174.700 0.076 0.000 1.441 823 T CA 1.525 63.674 62.100 0.082 0.000 2.347 823 T CB -0.845 68.053 68.868 0.051 0.000 2.784 823 T HN 0.657 nan 8.240 nan 0.000 0.477 824 R N 2.896 123.424 120.500 0.047 0.000 2.629 824 R HA 0.529 4.869 4.340 0.000 0.000 0.277 824 R C -0.968 175.353 176.300 0.035 0.000 1.637 824 R CA -0.546 55.576 56.100 0.037 0.000 1.663 824 R CB 0.627 30.940 30.300 0.022 0.000 1.228 824 R HN 0.618 nan 8.270 nan 0.000 0.632 825 N N 1.557 120.285 118.700 0.047 0.000 2.724 825 N HA -0.119 4.621 4.740 0.000 0.000 0.288 825 N C -2.561 172.962 175.510 0.022 0.000 1.645 825 N CA 0.256 53.331 53.050 0.043 0.000 1.260 825 N CB -0.325 38.195 38.487 0.055 0.000 0.937 825 N HN 0.349 nan 8.380 nan 0.000 0.486 826 P HA -0.203 nan 4.420 nan 0.000 0.019 826 P C 0.166 177.459 177.300 -0.012 0.000 0.520 826 P CA 0.939 64.025 63.100 -0.023 0.000 1.030 826 P CB -0.399 31.289 31.700 -0.020 0.000 1.886 827 N N 0.789 119.485 118.700 -0.007 0.000 2.401 827 N HA 0.156 4.896 4.740 0.000 0.000 0.264 827 N C -0.449 175.065 175.510 0.007 0.000 1.238 827 N CA -0.494 52.559 53.050 0.006 0.000 0.889 827 N CB -0.129 38.368 38.487 0.017 0.000 1.196 827 N HN -0.017 nan 8.380 nan 0.000 0.511 828 L N -0.234 120.987 121.223 -0.003 0.000 1.299 828 L HA -0.204 4.136 4.340 0.000 0.000 0.392 828 L C -0.514 176.371 176.870 0.025 0.000 1.003 828 L CA 0.518 55.361 54.840 0.006 0.000 1.227 828 L CB -1.362 40.703 42.059 0.010 0.000 0.619 828 L HN 0.251 nan 8.230 nan 0.000 0.333 829 A N 2.446 125.289 122.820 0.037 0.000 2.402 829 A HA 0.652 4.972 4.320 0.000 0.000 0.291 829 A C -0.967 176.695 177.584 0.129 0.000 1.051 829 A CA -0.577 51.501 52.037 0.068 0.000 0.716 829 A CB 0.956 19.976 19.000 0.034 0.000 1.223 829 A HN 0.790 nan 8.150 nan 0.000 0.425 830 H N 3.043 122.127 119.070 0.024 0.000 2.846 830 H HA 0.588 5.144 4.556 0.000 0.000 0.278 830 H C -0.492 174.853 175.328 0.028 0.000 1.117 830 H CA -0.244 55.815 56.048 0.019 0.000 1.406 830 H CB 0.084 29.854 29.762 0.013 0.000 1.445 830 H HN 0.690 nan 8.280 nan 0.000 0.469 831 L N 2.550 123.750 121.223 -0.037 0.000 2.257 831 L HA 0.648 4.988 4.340 0.000 0.000 0.257 831 L C -1.476 175.293 176.870 -0.168 0.000 1.033 831 L CA -1.550 53.221 54.840 -0.116 0.000 0.835 831 L CB 1.371 43.430 42.059 0.001 0.000 1.398 831 L HN 0.395 nan 8.230 nan 0.000 0.429 832 L N 0.716 121.840 121.223 -0.166 0.000 2.334 832 L HA 0.606 4.946 4.340 0.000 0.000 0.273 832 L C -1.096 175.656 176.870 -0.196 0.000 1.013 832 L CA 0.077 54.820 54.840 -0.161 0.000 0.816 832 L CB 1.594 43.566 42.059 -0.145 0.000 1.278 832 L HN 0.753 nan 8.230 nan 0.000 0.431 833 D N 3.814 124.103 120.400 -0.186 0.000 2.317 833 D HA 0.280 4.920 4.640 0.000 0.000 0.234 833 D C -0.981 175.255 176.300 -0.107 0.000 1.112 833 D CA 0.101 53.992 54.000 -0.181 0.000 0.840 833 D CB 0.621 41.310 40.800 -0.184 0.000 1.078 833 D HN 0.520 nan 8.370 nan 0.000 0.486 834 L N 4.077 125.221 121.223 -0.132 0.000 2.288 834 L HA 0.485 4.825 4.340 0.000 0.000 0.283 834 L C 0.990 177.887 176.870 0.046 0.000 1.072 834 L CA -0.343 54.410 54.840 -0.145 0.000 0.862 834 L CB 0.987 42.820 42.059 -0.376 0.000 1.245 834 L HN 0.776 nan 8.230 nan 0.000 0.432 835 G N 1.288 110.205 108.800 0.196 0.000 2.580 835 G HA2 -0.206 3.754 3.960 0.000 0.000 0.204 835 G HA3 -0.206 3.754 3.960 0.000 0.000 0.204 835 G C 0.067 175.040 174.900 0.122 0.000 1.107 835 G CA -0.605 44.621 45.100 0.209 0.000 0.881 835 G HN 0.431 nan 8.290 nan 0.000 0.497 836 T N 1.515 116.135 114.554 0.111 0.000 2.759 836 T HA 0.459 4.809 4.350 0.000 0.000 0.273 836 T C 1.437 176.197 174.700 0.099 0.000 0.938 836 T CA 0.555 62.709 62.100 0.089 0.000 1.197 836 T CB 0.812 69.749 68.868 0.115 0.000 0.887 836 T HN 1.295 nan 8.240 nan 0.000 0.540 837 G N 5.198 114.045 108.800 0.077 0.000 2.391 837 G HA2 0.156 4.117 3.960 0.000 0.000 0.234 837 G HA3 0.156 4.117 3.960 0.000 0.000 0.234 837 G C -0.797 174.144 174.900 0.069 0.000 1.284 837 G CA -1.240 43.903 45.100 0.073 0.000 0.873 837 G HN 0.357 nan 8.290 nan 0.000 0.549 838 P HA -0.209 nan 4.420 nan 0.000 0.216 838 P C 1.565 178.895 177.300 0.049 0.000 1.154 838 P CA 1.660 64.789 63.100 0.047 0.000 0.865 838 P CB 0.209 31.928 31.700 0.032 0.000 0.789 839 E N 0.144 120.373 120.200 0.049 0.000 2.338 839 E HA -0.146 4.204 4.350 0.000 0.000 0.197 839 E C 0.706 177.335 176.600 0.049 0.000 1.007 839 E CA 0.694 57.124 56.400 0.050 0.000 0.849 839 E CB -1.705 28.020 29.700 0.042 0.000 0.774 839 E HN 0.264 nan 8.360 nan 0.000 0.506 840 C N 1.725 121.058 119.300 0.054 0.000 4.454 840 C HA -0.120 4.340 4.460 0.000 0.000 0.298 840 C C 1.474 176.461 174.990 -0.006 0.000 1.384 840 C CA 0.306 59.356 59.018 0.053 0.000 2.002 840 C CB -2.207 25.607 27.740 0.123 0.000 1.249 840 C HN 0.348 nan 8.230 nan 0.000 0.783 841 R N 0.326 120.801 120.500 -0.042 0.000 2.185 841 R HA -0.152 4.188 4.340 0.000 0.000 0.247 841 R C 1.808 178.001 176.300 -0.179 0.000 1.159 841 R CA 1.760 57.795 56.100 -0.108 0.000 0.988 841 R CB -0.467 29.756 30.300 -0.129 0.000 0.871 841 R HN 0.726 nan 8.270 nan 0.000 0.458 842 I N 1.177 121.621 120.570 -0.210 0.000 2.229 842 I HA -0.309 3.861 4.170 0.000 0.000 0.250 842 I C 1.970 178.036 176.117 -0.086 0.000 1.096 842 I CA 1.464 62.633 61.300 -0.218 0.000 1.358 842 I CB -0.144 37.708 38.000 -0.246 0.000 1.047 842 I HN 0.088 nan 8.210 nan 0.000 0.422 843 L N -1.069 120.127 121.223 -0.045 0.000 2.141 843 L HA -0.145 4.195 4.340 0.000 0.000 0.209 843 L C 2.501 179.374 176.870 0.005 0.000 1.094 843 L CA 1.359 56.199 54.840 -0.001 0.000 0.763 843 L CB -0.706 41.367 42.059 0.023 0.000 0.908 843 L HN 0.196 nan 8.230 nan 0.000 0.437 844 S N -0.292 115.396 115.700 -0.020 0.000 2.507 844 S HA 0.002 4.472 4.470 0.000 0.000 0.235 844 S C 1.719 176.323 174.600 0.008 0.000 0.988 844 S CA 0.782 58.967 58.200 -0.024 0.000 0.944 844 S CB -0.038 63.128 63.200 -0.057 0.000 0.762 844 S HN 0.350 nan 8.310 nan 0.000 0.526 845 L N 0.688 121.925 121.223 0.023 0.000 2.425 845 L HA 0.394 4.734 4.340 0.000 0.000 0.215 845 L C 0.687 177.628 176.870 0.119 0.000 1.065 845 L CA -0.165 54.729 54.840 0.090 0.000 0.842 845 L CB -0.571 41.535 42.059 0.078 0.000 1.033 845 L HN 0.292 nan 8.230 nan 0.000 0.474 846 I N -0.882 119.775 120.570 0.146 0.000 2.533 846 I HA 0.294 4.464 4.170 0.000 0.000 0.284 846 I C -2.367 173.777 176.117 0.045 0.000 1.109 846 I CA -1.856 59.504 61.300 0.100 0.000 1.412 846 I CB -0.403 37.678 38.000 0.134 0.000 1.396 846 I HN -0.229 nan 8.210 nan 0.000 0.543 847 P HA 0.034 nan 4.420 nan 0.000 0.262 847 P C -1.834 175.481 177.300 0.024 0.000 1.182 847 P CA -0.953 62.160 63.100 0.022 0.000 0.761 847 P CB -0.036 31.669 31.700 0.007 0.000 0.795 848 P HA -0.265 nan 4.420 nan 0.000 0.218 848 P C 1.122 178.435 177.300 0.021 0.000 1.147 848 P CA 1.996 65.110 63.100 0.023 0.000 0.827 848 P CB -0.660 31.052 31.700 0.019 0.000 0.778 849 T N -3.162 111.402 114.554 0.017 0.000 2.915 849 T HA -0.041 4.309 4.350 0.000 0.000 0.269 849 T C 1.013 175.723 174.700 0.016 0.000 1.071 849 T CA 0.163 62.271 62.100 0.014 0.000 1.132 849 T CB -0.894 67.980 68.868 0.010 0.000 0.878 849 T HN -0.112 nan 8.240 nan 0.000 0.479 850 L N 2.888 124.125 121.223 0.023 0.000 2.483 850 L HA 0.172 4.512 4.340 0.000 0.000 0.276 850 L C 0.639 177.534 176.870 0.041 0.000 1.213 850 L CA 0.181 55.042 54.840 0.035 0.000 0.843 850 L CB 0.198 42.284 42.059 0.046 0.000 1.107 850 L HN 0.424 nan 8.230 nan 0.000 0.487 851 Q N 3.562 123.398 119.800 0.060 0.000 2.466 851 Q HA 0.469 4.809 4.340 0.000 0.000 0.242 851 Q C -1.165 174.969 176.000 0.223 0.000 1.046 851 Q CA -0.412 55.431 55.803 0.066 0.000 0.841 851 Q CB 1.010 29.713 28.738 -0.058 0.000 1.193 851 Q HN 0.301 nan 8.270 nan 0.000 0.508 852 V N 2.095 122.083 119.914 0.123 0.000 2.715 852 V HA 0.603 4.723 4.120 0.000 0.000 0.310 852 V C 0.048 176.145 176.094 0.005 0.000 1.054 852 V CA -0.665 61.670 62.300 0.058 0.000 0.928 852 V CB 2.032 33.840 31.823 -0.024 0.000 1.007 852 V HN 0.776 nan 8.190 nan 0.000 0.437 853 T N 3.801 118.322 114.554 -0.055 0.000 2.859 853 T HA 0.687 5.037 4.350 0.000 0.000 0.281 853 T C -0.406 174.176 174.700 -0.195 0.000 1.005 853 T CA -0.403 61.634 62.100 -0.105 0.000 1.025 853 T CB 1.350 70.177 68.868 -0.068 0.000 0.977 853 T HN 0.535 nan 8.240 nan 0.000 0.458 854 M N 2.630 122.070 119.600 -0.267 0.000 2.007 854 M HA 0.263 4.743 4.480 0.000 0.000 0.285 854 M C 0.090 176.364 176.300 -0.044 0.000 0.893 854 M CA -0.473 54.651 55.300 -0.295 0.000 0.925 854 M CB 1.642 33.749 32.600 -0.822 0.000 1.568 854 M HN 0.634 nan 8.290 nan 0.000 0.414 855 S N 2.300 118.037 115.700 0.062 0.000 3.065 855 S HA 0.055 4.525 4.470 0.000 0.000 0.311 855 S C -0.245 174.483 174.600 0.213 0.000 1.204 855 S CA -0.199 58.122 58.200 0.202 0.000 1.040 855 S CB -0.277 63.117 63.200 0.323 0.000 1.436 855 S HN 0.565 nan 8.310 nan 0.000 0.532 856 D N 3.589 124.129 120.400 0.233 0.000 2.494 856 D HA 0.238 4.878 4.640 0.000 0.000 0.217 856 D C 1.033 177.416 176.300 0.137 0.000 1.153 856 D CA -0.074 54.045 54.000 0.199 0.000 0.954 856 D CB 0.801 41.750 40.800 0.248 0.000 1.034 856 D HN 0.523 nan 8.370 nan 0.000 0.518 857 S N 2.417 118.173 115.700 0.093 0.000 2.368 857 S HA -0.191 4.279 4.470 0.000 0.000 0.226 857 S C 0.936 175.535 174.600 -0.001 0.000 1.044 857 S CA 1.022 59.222 58.200 0.000 0.000 1.062 857 S CB 0.044 63.189 63.200 -0.092 0.000 0.931 857 S HN 0.489 nan 8.310 nan 0.000 0.440 858 R N 2.386 122.896 120.500 0.017 0.000 2.543 858 R HA 0.192 4.532 4.340 0.000 0.000 0.277 858 R C -2.602 173.712 176.300 0.023 0.000 1.074 858 R CA -1.578 54.531 56.100 0.015 0.000 1.076 858 R CB -0.169 30.142 30.300 0.018 0.000 0.993 858 R HN 0.193 nan 8.270 nan 0.000 0.459 859 P HA -0.059 nan 4.420 nan 0.000 0.263 859 P C -0.579 176.717 177.300 -0.006 0.000 1.276 859 P CA -0.014 63.089 63.100 0.005 0.000 0.986 859 P CB 0.271 31.972 31.700 0.002 0.000 1.105 860 C N 3.472 122.762 119.300 -0.017 0.000 2.319 860 C HA 0.701 5.161 4.460 0.000 0.000 0.335 860 C C 1.469 176.412 174.990 -0.078 0.000 1.274 860 C CA 0.107 59.103 59.018 -0.037 0.000 1.806 860 C CB 0.098 27.822 27.740 -0.027 0.000 2.329 860 C HN 0.684 nan 8.230 nan 0.000 0.524 861 A N 3.304 126.094 122.820 -0.051 0.000 2.026 861 A HA 0.311 4.631 4.320 0.000 0.000 0.198 861 A C 0.752 178.329 177.584 -0.012 0.000 1.390 861 A CA 0.043 52.050 52.037 -0.049 0.000 0.915 861 A CB -0.283 18.703 19.000 -0.023 0.000 0.974 861 A HN 0.868 nan 8.150 nan 0.000 0.477 862 E N 0.593 120.818 120.200 0.042 0.000 2.081 862 E HA 0.275 4.625 4.350 0.000 0.000 0.270 862 E C -0.483 176.199 176.600 0.137 0.000 1.180 862 E CA -0.203 56.300 56.400 0.172 0.000 0.926 862 E CB 0.224 30.008 29.700 0.140 0.000 1.035 862 E HN 0.377 nan 8.360 nan 0.000 0.418 863 L N 3.191 124.443 121.223 0.049 0.000 3.843 863 L HA -0.305 4.035 4.340 0.000 0.000 0.411 863 L C 0.440 177.242 176.870 -0.114 0.000 1.205 863 L CA 0.925 55.659 54.840 -0.177 0.000 0.945 863 L CB -1.049 40.878 42.059 -0.219 0.000 1.929 863 L HN 0.766 nan 8.230 nan 0.000 0.934 864 M N -0.944 118.542 119.600 -0.190 0.000 2.197 864 M HA 0.080 4.560 4.480 0.000 0.000 0.241 864 M C 1.698 177.673 176.300 -0.542 0.000 1.225 864 M CA 1.993 57.050 55.300 -0.405 0.000 1.079 864 M CB -0.001 32.296 32.600 -0.505 0.000 1.090 864 M HN 0.343 nan 8.290 nan 0.000 0.456 865 A N -0.709 121.728 122.820 -0.639 0.000 2.178 865 A HA 0.052 4.372 4.320 0.000 0.000 0.211 865 A C 1.879 179.322 177.584 -0.235 0.000 1.157 865 A CA 0.984 52.821 52.037 -0.333 0.000 0.780 865 A CB -0.670 18.175 19.000 -0.257 0.000 0.828 865 A HN 0.713 nan 8.150 nan 0.000 0.476 866 S N 0.116 115.572 115.700 -0.408 0.000 2.408 866 S HA -0.232 4.238 4.470 0.000 0.000 0.241 866 S C 0.220 174.187 174.600 -1.054 0.000 1.080 866 S CA 1.597 59.356 58.200 -0.735 0.000 1.109 866 S CB -0.615 62.007 63.200 -0.964 0.000 0.966 866 S HN 0.578 nan 8.310 nan 0.000 0.449 867 F N 1.980 121.913 119.950 -0.028 0.000 2.329 867 F HA 0.352 4.879 4.527 0.000 0.000 0.362 867 F C 1.013 176.826 175.800 0.023 0.000 1.113 867 F CA -1.152 56.842 58.000 -0.011 0.000 1.212 867 F CB 0.248 39.232 39.000 -0.026 0.000 1.509 867 F HN -0.030 nan 8.300 nan 0.000 0.546 868 D N 2.390 122.788 120.400 -0.004 0.000 2.178 868 D HA -0.093 4.547 4.640 0.000 0.000 0.202 868 D C -0.504 175.831 176.300 0.058 0.000 0.974 868 D CA 1.143 55.169 54.000 0.042 0.000 0.841 868 D CB -0.799 40.010 40.800 0.014 0.000 0.953 868 D HN 0.283 nan 8.370 nan 0.000 0.478 869 P HA -0.239 nan 4.420 nan 0.000 0.220 869 P C 0.053 177.376 177.300 0.040 0.000 0.849 869 P CA 1.706 64.839 63.100 0.056 0.000 1.048 869 P CB -0.211 31.532 31.700 0.071 0.000 0.727 870 A N -0.437 122.412 122.820 0.049 0.000 2.489 870 A HA 0.144 4.464 4.320 0.000 0.000 0.289 870 A C 0.140 177.745 177.584 0.034 0.000 1.216 870 A CA -0.310 51.748 52.037 0.035 0.000 0.883 870 A CB -1.356 17.666 19.000 0.037 0.000 1.110 870 A HN 0.304 nan 8.150 nan 0.000 0.523 871 L N 4.547 125.779 121.223 0.014 0.000 2.919 871 L HA -0.045 4.295 4.340 0.000 0.000 0.289 871 L C 0.884 177.757 176.870 0.006 0.000 1.050 871 L CA 1.694 56.538 54.840 0.007 0.000 1.071 871 L CB -0.529 41.518 42.059 -0.020 0.000 1.499 871 L HN 0.651 nan 8.230 nan 0.000 0.443 872 T N 2.588 117.151 114.554 0.016 0.000 3.253 872 T HA 0.656 5.006 4.350 0.000 0.000 0.391 872 T C 0.246 174.922 174.700 -0.041 0.000 1.527 872 T CA -0.116 61.969 62.100 -0.024 0.000 1.268 872 T CB 0.742 69.677 68.868 0.112 0.000 1.126 872 T HN 0.720 nan 8.240 nan 0.000 0.620 873 A N 3.128 125.879 122.820 -0.115 0.000 2.922 873 A HA 0.460 4.780 4.320 0.000 0.000 0.298 873 A C -0.323 177.191 177.584 -0.116 0.000 1.588 873 A CA -0.654 51.347 52.037 -0.059 0.000 1.288 873 A CB -0.735 18.262 19.000 -0.005 0.000 1.130 873 A HN 0.796 nan 8.150 nan 0.000 0.557 874 Y N 1.032 121.344 120.300 0.021 0.000 2.537 874 Y HA 0.245 4.795 4.550 0.000 0.000 0.339 874 Y C 0.440 176.366 175.900 0.043 0.000 1.066 874 Y CA 0.441 58.558 58.100 0.030 0.000 1.357 874 Y CB 0.822 39.291 38.460 0.016 0.000 1.175 874 Y HN 0.327 nan 8.280 nan 0.000 0.525 875 V N 4.851 124.876 119.914 0.185 0.000 2.239 875 V HA 0.126 4.246 4.120 0.000 0.000 0.267 875 V C 0.113 176.370 176.094 0.271 0.000 1.056 875 V CA -1.045 61.366 62.300 0.185 0.000 0.830 875 V CB 0.396 32.302 31.823 0.137 0.000 1.090 875 V HN 0.644 nan 8.190 nan 0.000 0.459 876 Q N 2.504 122.454 119.800 0.250 0.000 2.333 876 Q HA 0.391 4.731 4.340 0.000 0.000 0.299 876 Q C 0.625 176.830 176.000 0.342 0.000 1.067 876 Q CA 1.802 57.749 55.803 0.239 0.000 0.943 876 Q CB 1.142 29.979 28.738 0.165 0.000 1.233 876 Q HN 1.146 nan 8.270 nan 0.000 0.401 877 G N 2.997 111.904 108.800 0.177 0.000 2.587 877 G HA2 -0.167 3.793 3.960 0.000 0.000 0.686 877 G HA3 -0.167 3.793 3.960 0.000 0.000 0.686 877 G C -1.147 173.539 174.900 -0.356 0.000 1.236 877 G CA -0.423 44.631 45.100 -0.077 0.000 0.820 877 G HN 0.628 nan 8.290 nan 0.000 0.645 878 D N 1.463 121.455 120.400 -0.680 0.000 2.518 878 D HA 0.332 4.972 4.640 0.000 0.000 0.230 878 D C 1.898 177.753 176.300 -0.742 0.000 1.138 878 D CA -0.193 53.389 54.000 -0.697 0.000 0.964 878 D CB -0.074 40.426 40.800 -0.499 0.000 1.011 878 D HN 0.574 nan 8.370 nan 0.000 0.517 879 Y N 1.333 121.520 120.300 -0.188 0.000 2.341 879 Y HA -0.379 4.171 4.550 0.000 0.000 0.273 879 Y C 1.736 177.723 175.900 0.144 0.000 1.302 879 Y CA 1.469 59.620 58.100 0.086 0.000 1.157 879 Y CB -1.381 37.165 38.460 0.143 0.000 0.924 879 Y HN 0.154 nan 8.280 nan 0.000 0.543 880 S N 0.006 115.713 115.700 0.012 0.000 2.419 880 S HA -0.123 4.347 4.470 0.000 0.000 0.233 880 S C 1.163 175.926 174.600 0.271 0.000 1.016 880 S CA 1.037 59.336 58.200 0.165 0.000 0.974 880 S CB -0.920 62.355 63.200 0.125 0.000 0.786 880 S HN 0.841 nan 8.310 nan 0.000 0.492 881 T N 1.290 115.941 114.554 0.162 0.000 2.900 881 T HA 0.524 4.874 4.350 0.000 0.000 0.307 881 T C 0.146 175.036 174.700 0.317 0.000 1.065 881 T CA -0.435 61.765 62.100 0.167 0.000 1.105 881 T CB 0.742 69.610 68.868 0.000 0.000 0.979 881 T HN 0.235 nan 8.240 nan 0.000 0.544 882 A N 2.253 125.212 122.820 0.231 0.000 2.548 882 A HA 0.523 4.843 4.320 0.000 0.000 0.247 882 A C 1.155 178.658 177.584 -0.136 0.000 1.067 882 A CA -0.147 51.988 52.037 0.165 0.000 0.757 882 A CB -1.672 17.405 19.000 0.128 0.000 0.996 882 A HN 2.504 nan 8.150 nan 0.000 0.504 883 A N 1.258 123.609 122.820 -0.782 0.000 1.442 883 A HA 0.011 4.331 4.320 0.000 0.000 0.220 883 A C 0.063 177.461 177.584 -0.310 0.000 1.100 883 A CA 1.326 52.843 52.037 -0.868 0.000 0.549 883 A CB -1.476 17.253 19.000 -0.453 0.000 1.361 883 A HN 2.222 nan 8.150 nan 0.000 0.179 884 F N -0.061 119.566 119.950 -0.538 0.000 1.696 884 F HA 0.047 4.574 4.527 0.000 0.000 0.389 884 F C 1.390 177.198 175.800 0.013 0.000 1.058 884 F CA 1.200 59.122 58.000 -0.130 0.000 1.117 884 F CB -1.042 37.998 39.000 0.067 0.000 1.648 884 F HN 0.861 nan 8.300 nan 0.000 0.298 885 W N 2.178 123.653 121.300 0.291 0.000 2.305 885 W HA -0.176 4.484 4.660 0.000 0.000 0.308 885 W C 1.505 178.060 176.519 0.061 0.000 1.226 885 W CA 1.857 59.301 57.345 0.166 0.000 1.253 885 W CB -1.709 27.819 29.460 0.113 0.000 1.146 885 W HN 0.161 nan 8.180 nan 0.000 0.507 886 N N 0.760 119.359 118.700 -0.169 0.000 1.413 886 N HA -0.350 4.390 4.740 0.000 0.000 0.111 886 N C 1.686 177.175 175.510 -0.035 0.000 0.378 886 N CA 3.726 56.675 53.050 -0.169 0.000 0.787 886 N CB -1.577 36.721 38.487 -0.315 0.000 0.612 886 N HN 0.510 nan 8.380 nan 0.000 1.413 887 G N -0.533 108.232 108.800 -0.058 0.000 2.572 887 G HA2 0.126 4.086 3.960 0.000 0.000 0.216 887 G HA3 0.126 4.086 3.960 0.000 0.000 0.216 887 G C 0.336 175.242 174.900 0.009 0.000 1.133 887 G CA 0.049 45.126 45.100 -0.039 0.000 0.791 887 G HN 0.310 nan 8.290 nan 0.000 0.538 888 I N 1.943 122.541 120.570 0.047 0.000 2.337 888 I HA 0.304 4.474 4.170 0.000 0.000 0.291 888 I C -0.151 175.986 176.117 0.034 0.000 1.046 888 I CA -0.541 60.787 61.300 0.047 0.000 1.324 888 I CB 0.900 38.944 38.000 0.073 0.000 1.409 888 I HN -0.111 nan 8.210 nan 0.000 0.494 889 R N 5.932 126.447 120.500 0.023 0.000 2.514 889 R HA 0.766 5.106 4.340 0.000 0.000 0.301 889 R C -0.775 175.439 176.300 -0.142 0.000 0.962 889 R CA -0.484 55.619 56.100 0.005 0.000 0.882 889 R CB 1.940 32.290 30.300 0.084 0.000 1.143 889 R HN 0.905 nan 8.270 nan 0.000 0.452 890 C N -1.291 117.858 119.300 -0.251 0.000 3.259 890 C HA 0.442 4.902 4.460 0.000 0.000 0.344 890 C C -0.620 174.244 174.990 -0.210 0.000 1.401 890 C CA -0.844 57.843 59.018 -0.552 0.000 1.219 890 C CB 1.285 28.758 27.740 -0.445 0.000 1.521 890 C HN 0.766 nan 8.230 nan 0.000 0.455 891 D N 0.999 121.305 120.400 -0.157 0.000 2.593 891 D HA 0.466 5.106 4.640 0.000 0.000 0.241 891 D C -0.150 176.180 176.300 0.049 0.000 1.257 891 D CA 0.553 54.544 54.000 -0.014 0.000 0.828 891 D CB 0.764 41.590 40.800 0.043 0.000 1.049 891 D HN 0.803 nan 8.370 nan 0.000 0.490 892 S N 0.357 116.073 115.700 0.026 0.000 2.584 892 S HA 0.571 5.041 4.470 0.000 0.000 0.282 892 S C -1.565 173.054 174.600 0.033 0.000 1.138 892 S CA -0.702 57.578 58.200 0.134 0.000 0.987 892 S CB 0.437 63.736 63.200 0.164 0.000 1.137 892 S HN 0.059 nan 8.310 nan 0.000 0.457 893 A N 4.052 126.928 122.820 0.093 0.000 2.582 893 A HA 0.605 4.925 4.320 0.000 0.000 0.336 893 A C 0.498 178.109 177.584 0.044 0.000 1.445 893 A CA -0.344 51.695 52.037 0.003 0.000 0.997 893 A CB -0.369 18.608 19.000 -0.038 0.000 1.148 893 A HN 1.074 nan 8.150 nan 0.000 0.514 894 T N 0.014 114.517 114.554 -0.085 0.000 2.723 894 T HA 0.614 4.964 4.350 0.000 0.000 0.297 894 T C -0.099 174.573 174.700 -0.047 0.000 0.925 894 T CA 0.118 62.166 62.100 -0.086 0.000 1.030 894 T CB 1.047 69.650 68.868 -0.443 0.000 0.905 894 T HN 1.300 nan 8.240 nan 0.000 0.502 895 A N 4.942 127.803 122.820 0.068 0.000 2.569 895 A HA 0.660 4.980 4.320 0.000 0.000 0.282 895 A C -0.487 177.139 177.584 0.069 0.000 1.165 895 A CA -0.857 51.201 52.037 0.034 0.000 0.747 895 A CB 0.506 19.484 19.000 -0.037 0.000 1.215 895 A HN 0.902 nan 8.150 nan 0.000 0.431 896 I N 2.057 122.679 120.570 0.085 0.000 2.389 896 I HA 0.510 4.680 4.170 0.000 0.000 0.288 896 I C 0.598 176.787 176.117 0.121 0.000 0.999 896 I CA -0.377 60.969 61.300 0.076 0.000 1.129 896 I CB 0.895 38.984 38.000 0.148 0.000 1.288 896 I HN 0.813 nan 8.210 nan 0.000 0.444 897 F N 2.099 122.082 119.950 0.055 0.000 2.597 897 F HA -0.446 4.081 4.527 0.000 0.000 0.617 897 F C 2.423 178.263 175.800 0.066 0.000 0.497 897 F CA 2.060 60.091 58.000 0.052 0.000 0.788 897 F CB -1.228 37.782 39.000 0.016 0.000 1.646 897 F HN 0.626 nan 8.300 nan 0.000 0.258 898 T N -0.913 113.735 114.554 0.157 0.000 2.649 898 T HA -0.336 4.014 4.350 0.000 0.000 0.268 898 T C 1.551 176.341 174.700 0.150 0.000 1.036 898 T CA 1.851 64.049 62.100 0.164 0.000 1.157 898 T CB -0.953 68.016 68.868 0.168 0.000 0.861 898 T HN 0.374 nan 8.240 nan 0.000 0.445 899 I N 2.815 123.438 120.570 0.088 0.000 2.185 899 I HA -0.042 4.128 4.170 0.000 0.000 0.246 899 I C 2.571 178.745 176.117 0.095 0.000 1.088 899 I CA 1.463 62.804 61.300 0.068 0.000 1.347 899 I CB -1.166 36.827 38.000 -0.013 0.000 1.041 899 I HN 0.418 nan 8.210 nan 0.000 0.415 900 G N -0.105 108.730 108.800 0.059 0.000 2.739 900 G HA2 -0.381 3.579 3.960 0.000 0.000 0.216 900 G HA3 -0.381 3.579 3.960 0.000 0.000 0.216 900 G C 1.768 176.742 174.900 0.123 0.000 1.298 900 G CA 1.595 46.742 45.100 0.078 0.000 0.804 900 G HN 0.653 nan 8.290 nan 0.000 0.623 901 A N 1.016 123.924 122.820 0.146 0.000 1.915 901 A HA -0.036 4.284 4.320 0.000 0.000 0.220 901 A C 2.874 180.533 177.584 0.125 0.000 1.198 901 A CA 3.343 55.461 52.037 0.134 0.000 0.647 901 A CB -1.137 17.945 19.000 0.137 0.000 0.825 901 A HN 1.286 nan 8.150 nan 0.000 0.456 902 A N -0.590 122.327 122.820 0.162 0.000 1.908 902 A HA 0.094 4.414 4.320 0.000 0.000 0.218 902 A C 2.530 180.299 177.584 0.308 0.000 1.181 902 A CA 2.496 54.669 52.037 0.227 0.000 0.627 902 A CB -1.054 18.106 19.000 0.268 0.000 0.818 902 A HN 1.262 nan 8.150 nan 0.000 0.445 903 A N -0.372 122.623 122.820 0.293 0.000 1.930 903 A HA 0.231 4.551 4.320 0.000 0.000 0.217 903 A C 2.485 180.069 177.584 0.001 0.000 1.175 903 A CA 1.853 53.991 52.037 0.167 0.000 0.627 903 A CB -0.958 18.164 19.000 0.204 0.000 0.815 903 A HN 1.084 nan 8.150 nan 0.000 0.443 904 A N 0.015 122.862 122.820 0.046 0.000 1.940 904 A HA 0.128 4.448 4.320 0.000 0.000 0.219 904 A C 2.457 180.036 177.584 -0.008 0.000 1.176 904 A CA 2.026 54.075 52.037 0.019 0.000 0.631 904 A CB -0.929 18.103 19.000 0.053 0.000 0.814 904 A HN 1.049 nan 8.150 nan 0.000 0.446 905 A N -0.242 122.583 122.820 0.008 0.000 1.933 905 A HA 0.162 4.482 4.320 0.000 0.000 0.218 905 A C 2.352 179.900 177.584 -0.061 0.000 1.175 905 A CA 1.928 53.959 52.037 -0.009 0.000 0.628 905 A CB -0.800 18.213 19.000 0.021 0.000 0.814 905 A HN 1.110 nan 8.150 nan 0.000 0.444 906 A N -1.244 121.495 122.820 -0.135 0.000 2.206 906 A HA 0.391 4.711 4.320 0.000 0.000 0.211 906 A C 1.788 179.222 177.584 -0.250 0.000 1.158 906 A CA 1.097 52.972 52.037 -0.270 0.000 0.761 906 A CB -1.187 17.402 19.000 -0.686 0.000 0.801 906 A HN 1.825 nan 8.150 nan 0.000 0.473 907 G N 0.820 109.518 108.800 -0.169 0.000 2.421 907 G HA2 -0.230 3.730 3.960 0.000 0.000 0.300 907 G HA3 -0.230 3.730 3.960 0.000 0.000 0.300 907 G C 0.382 175.195 174.900 -0.146 0.000 0.974 907 G CA 0.977 46.001 45.100 -0.127 0.000 1.062 907 G HN 1.397 nan 8.290 nan 0.000 0.514 908 T N -2.891 111.540 114.554 -0.205 0.000 2.932 908 T HA 0.549 4.899 4.350 0.000 0.000 0.289 908 T C -0.413 174.209 174.700 -0.129 0.000 1.039 908 T CA -0.715 61.262 62.100 -0.206 0.000 1.024 908 T CB 2.023 70.665 68.868 -0.376 0.000 1.090 908 T HN 0.007 nan 8.240 nan 0.000 0.496 909 D N 1.761 122.105 120.400 -0.093 0.000 2.368 909 D HA 0.190 4.830 4.640 0.000 0.000 0.268 909 D C 1.436 177.714 176.300 -0.037 0.000 1.298 909 D CA -0.022 53.938 54.000 -0.067 0.000 0.938 909 D CB 0.240 41.004 40.800 -0.059 0.000 1.101 909 D HN 0.477 nan 8.370 nan 0.000 0.509 910 L N 2.465 123.666 121.223 -0.038 0.000 2.103 910 L HA -0.294 4.046 4.340 0.000 0.000 0.215 910 L C 2.010 178.890 176.870 0.018 0.000 1.080 910 L CA 1.094 55.938 54.840 0.005 0.000 0.764 910 L CB -0.633 41.401 42.059 -0.042 0.000 0.890 910 L HN 0.555 nan 8.230 nan 0.000 0.435 911 I N 0.061 120.614 120.570 -0.028 0.000 2.194 911 I HA -0.335 3.835 4.170 0.000 0.000 0.246 911 I C 2.783 178.900 176.117 -0.000 0.000 1.093 911 I CA 1.530 62.812 61.300 -0.030 0.000 1.355 911 I CB -0.593 37.375 38.000 -0.054 0.000 1.046 911 I HN 0.263 nan 8.210 nan 0.000 0.413 912 A N 0.308 123.142 122.820 0.023 0.000 1.843 912 A HA -0.147 4.173 4.320 0.000 0.000 0.213 912 A C 2.207 179.872 177.584 0.135 0.000 1.202 912 A CA 0.896 52.962 52.037 0.048 0.000 0.607 912 A CB -1.019 17.995 19.000 0.022 0.000 0.847 912 A HN 0.318 nan 8.150 nan 0.000 0.445 913 F N 0.896 120.816 119.950 -0.051 0.000 2.063 913 F HA -0.249 4.278 4.527 0.000 0.000 0.298 913 F C 2.463 178.218 175.800 -0.075 0.000 1.105 913 F CA 1.856 59.824 58.000 -0.053 0.000 1.215 913 F CB -0.638 38.339 39.000 -0.038 0.000 0.972 913 F HN 0.034 nan 8.300 nan 0.000 0.483 914 V N -0.008 119.940 119.914 0.057 0.000 2.255 914 V HA -0.363 3.757 4.120 0.000 0.000 0.247 914 V C 2.379 178.405 176.094 -0.113 0.000 1.051 914 V CA 2.251 64.499 62.300 -0.086 0.000 1.018 914 V CB -0.794 30.994 31.823 -0.059 0.000 0.641 914 V HN 0.391 nan 8.190 nan 0.000 0.445 915 Q N -0.724 119.041 119.800 -0.059 0.000 2.029 915 Q HA -0.325 4.015 4.340 0.000 0.000 0.209 915 Q C 2.451 178.396 176.000 -0.091 0.000 0.999 915 Q CA 2.063 57.826 55.803 -0.066 0.000 0.857 915 Q CB -0.409 28.308 28.738 -0.034 0.000 0.926 915 Q HN 0.501 nan 8.270 nan 0.000 0.415 916 Q N 0.597 120.356 119.800 -0.068 0.000 2.197 916 Q HA -0.184 4.156 4.340 0.000 0.000 0.207 916 Q C 2.011 177.847 176.000 -0.273 0.000 0.984 916 Q CA 1.124 56.860 55.803 -0.112 0.000 0.869 916 Q CB -0.243 28.477 28.738 -0.029 0.000 0.906 916 Q HN 0.304 nan 8.270 nan 0.000 0.426 917 L N 0.048 121.080 121.223 -0.319 0.000 2.093 917 L HA -0.106 4.234 4.340 0.000 0.000 0.208 917 L C 2.046 178.724 176.870 -0.320 0.000 1.085 917 L CA 1.137 55.735 54.840 -0.403 0.000 0.755 917 L CB -0.374 41.445 42.059 -0.400 0.000 0.904 917 L HN 0.151 nan 8.230 nan 0.000 0.435 918 I N -0.088 120.344 120.570 -0.230 0.000 2.045 918 I HA -0.240 3.930 4.170 0.000 0.000 0.233 918 I C -0.260 175.756 176.117 -0.168 0.000 1.048 918 I CA 1.499 62.691 61.300 -0.181 0.000 1.313 918 I CB -1.998 35.917 38.000 -0.143 0.000 1.043 918 I HN 0.149 nan 8.210 nan 0.000 0.393 919 P HA -0.232 nan 4.420 nan 0.000 0.220 919 P C 1.430 178.645 177.300 -0.142 0.000 1.155 919 P CA 1.774 64.807 63.100 -0.111 0.000 0.880 919 P CB -0.184 31.475 31.700 -0.068 0.000 0.790 920 R N -0.879 119.431 120.500 -0.316 0.000 2.206 920 R HA -0.207 4.133 4.340 0.000 0.000 0.240 920 R C 2.087 178.246 176.300 -0.235 0.000 1.117 920 R CA 1.861 57.639 56.100 -0.536 0.000 0.915 920 R CB -1.255 28.433 30.300 -1.021 0.000 0.888 920 R HN 0.177 nan 8.270 nan 0.000 0.432 921 I N 0.554 120.987 120.570 -0.228 0.000 2.676 921 I HA -0.140 4.030 4.170 0.000 0.000 0.259 921 I C 2.348 178.417 176.117 -0.079 0.000 1.194 921 I CA 0.757 61.977 61.300 -0.133 0.000 1.473 921 I CB -0.731 37.171 38.000 -0.163 0.000 1.096 921 I HN 0.048 nan 8.210 nan 0.000 0.443 922 V N 1.606 121.469 119.914 -0.084 0.000 2.453 922 V HA -0.270 3.850 4.120 0.000 0.000 0.252 922 V C 2.321 178.405 176.094 -0.015 0.000 1.068 922 V CA 1.962 64.231 62.300 -0.051 0.000 1.070 922 V CB -0.721 31.068 31.823 -0.057 0.000 0.664 922 V HN 0.506 nan 8.190 nan 0.000 0.461 923 A N -1.513 121.313 122.820 0.010 0.000 2.337 923 A HA 0.677 4.997 4.320 0.000 0.000 0.227 923 A C 0.789 178.403 177.584 0.050 0.000 1.259 923 A CA 0.699 52.763 52.037 0.046 0.000 0.870 923 A CB -0.226 18.833 19.000 0.098 0.000 0.927 923 A HN 0.556 nan 8.150 nan 0.000 0.497 924 A N -1.432 121.405 122.820 0.028 0.000 2.386 924 A HA 0.633 4.953 4.320 0.000 0.000 0.308 924 A C 0.640 178.230 177.584 0.009 0.000 1.128 924 A CA -0.112 51.941 52.037 0.027 0.000 0.789 924 A CB 0.662 19.676 19.000 0.022 0.000 1.325 924 A HN 0.713 nan 8.150 nan 0.000 0.437 925 G N 0.259 109.066 108.800 0.012 0.000 3.541 925 G HA2 0.460 4.420 3.960 0.000 0.000 0.253 925 G HA3 0.460 4.420 3.960 0.000 0.000 0.253 925 G C 0.338 175.238 174.900 0.000 0.000 1.017 925 G CA 0.498 45.606 45.100 0.013 0.000 1.832 925 G HN 1.087 nan 8.290 nan 0.000 0.649 926 G N -0.272 108.521 108.800 -0.013 0.000 2.416 926 G HA2 0.477 4.437 3.960 0.000 0.000 0.324 926 G HA3 0.477 4.437 3.960 0.000 0.000 0.324 926 G C 0.619 175.511 174.900 -0.014 0.000 1.194 926 G CA 0.269 45.356 45.100 -0.021 0.000 0.922 926 G HN 0.307 nan 8.290 nan 0.000 0.467 927 T N -0.366 114.193 114.554 0.008 0.000 3.205 927 T HA 0.180 4.530 4.350 0.000 0.000 0.238 927 T C 1.065 175.764 174.700 -0.002 0.000 0.974 927 T CA -0.255 61.845 62.100 0.000 0.000 1.246 927 T CB 0.113 68.989 68.868 0.014 0.000 1.007 927 T HN 0.314 nan 8.240 nan 0.000 0.414 928 R N 1.852 122.419 120.500 0.112 0.000 2.459 928 R HA 0.274 4.614 4.340 0.000 0.000 0.301 928 R C -0.404 176.075 176.300 0.298 0.000 1.286 928 R CA -0.278 55.967 56.100 0.241 0.000 1.046 928 R CB 0.031 30.762 30.300 0.718 0.000 1.071 928 R HN 0.312 nan 8.270 nan 0.000 0.512 929 M N 3.800 123.419 119.600 0.031 0.000 2.135 929 M HA 0.087 4.567 4.480 0.000 0.000 0.345 929 M C -1.296 175.010 176.300 0.009 0.000 1.340 929 M CA -0.907 54.407 55.300 0.023 0.000 1.162 929 M CB 0.227 32.766 32.600 -0.103 0.000 1.570 929 M HN 0.491 nan 8.290 nan 0.000 0.454 930 W N 6.554 127.873 121.300 0.031 0.000 2.175 930 W HA 0.395 5.055 4.660 0.000 0.000 0.350 930 W C -0.656 175.842 176.519 -0.036 0.000 0.877 930 W CA -0.494 56.889 57.345 0.064 0.000 1.544 930 W CB 0.135 29.648 29.460 0.088 0.000 1.585 930 W HN 0.469 nan 8.180 nan 0.000 0.347 931 L N 3.640 124.839 121.223 -0.041 0.000 2.288 931 L HA 0.300 4.640 4.340 0.000 0.000 0.283 931 L C 0.467 177.293 176.870 -0.073 0.000 1.072 931 L CA -0.045 54.748 54.840 -0.079 0.000 0.862 931 L CB 0.359 42.334 42.059 -0.141 0.000 1.245 931 L HN 0.122 nan 8.230 nan 0.000 0.432 932 Q N 5.072 124.849 119.800 -0.037 0.000 2.810 932 Q HA 0.180 4.520 4.340 0.000 0.000 0.236 932 Q C -1.068 174.848 176.000 -0.140 0.000 1.278 932 Q CA -0.569 55.199 55.803 -0.059 0.000 1.065 932 Q CB 0.666 29.357 28.738 -0.078 0.000 1.364 932 Q HN 0.617 nan 8.270 nan 0.000 0.570 933 L N 3.030 124.214 121.223 -0.066 0.000 2.371 933 L HA 0.198 4.538 4.340 0.000 0.000 0.272 933 L C 0.252 177.082 176.870 -0.066 0.000 1.124 933 L CA 0.008 54.803 54.840 -0.076 0.000 0.816 933 L CB 0.696 42.734 42.059 -0.034 0.000 1.129 933 L HN 0.372 nan 8.230 nan 0.000 0.448 934 N N 3.201 121.842 118.700 -0.098 0.000 2.453 934 N HA -0.061 4.679 4.740 0.000 0.000 0.302 934 N C -0.357 175.108 175.510 -0.075 0.000 1.241 934 N CA 0.272 53.298 53.050 -0.041 0.000 1.129 934 N CB -0.532 37.928 38.487 -0.045 0.000 1.482 934 N HN 0.584 nan 8.380 nan 0.000 0.494 935 T N 0.330 114.914 114.554 0.050 0.000 2.886 935 T HA 0.387 4.737 4.350 0.000 0.000 0.292 935 T C -2.882 171.859 174.700 0.069 0.000 1.012 935 T CA -2.110 60.033 62.100 0.072 0.000 0.982 935 T CB 1.935 70.838 68.868 0.058 0.000 1.018 935 T HN -0.027 nan 8.240 nan 0.000 0.451 936 P HA 0.274 nan 4.420 nan 0.000 0.271 936 P C 0.576 177.759 177.300 -0.195 0.000 1.218 936 P CA -0.243 62.872 63.100 0.024 0.000 0.780 936 P CB 0.650 32.407 31.700 0.096 0.000 0.901 937 L N 1.561 122.606 121.223 -0.297 0.000 2.162 937 L HA -0.010 4.330 4.340 0.000 0.000 0.205 937 L C 0.479 176.902 176.870 -0.746 0.000 1.086 937 L CA 1.425 55.890 54.840 -0.626 0.000 0.778 937 L CB -0.170 41.494 42.059 -0.658 0.000 0.928 937 L HN 0.457 nan 8.230 nan 0.000 0.446 938 Y N -1.957 118.292 120.300 -0.086 0.000 3.159 938 Y HA 0.277 4.827 4.550 0.000 0.000 0.299 938 Y C 0.168 176.064 175.900 -0.007 0.000 1.666 938 Y CA -1.422 56.654 58.100 -0.039 0.000 1.049 938 Y CB 0.037 38.479 38.460 -0.030 0.000 1.413 938 Y HN -0.302 nan 8.280 nan 0.000 0.576 939 E N 1.862 122.180 120.200 0.197 0.000 3.102 939 E HA 0.023 4.373 4.350 0.000 0.000 0.235 939 E C -0.758 175.886 176.600 0.074 0.000 0.995 939 E CA -0.048 56.419 56.400 0.112 0.000 0.950 939 E CB -0.386 29.365 29.700 0.084 0.000 0.905 939 E HN 0.445 nan 8.360 nan 0.000 0.553 940 V N 3.382 123.332 119.914 0.059 0.000 2.479 940 V HA 0.020 4.140 4.120 0.000 0.000 0.284 940 V C 0.409 176.495 176.094 -0.013 0.000 0.981 940 V CA 0.371 62.682 62.300 0.019 0.000 1.139 940 V CB 0.319 32.154 31.823 0.019 0.000 0.947 940 V HN 0.509 nan 8.190 nan 0.000 0.468 941 S N 4.203 119.885 115.700 -0.031 0.000 2.433 941 S HA 0.490 4.960 4.470 0.000 0.000 0.310 941 S C 0.245 174.781 174.600 -0.106 0.000 1.097 941 S CA -0.430 57.737 58.200 -0.055 0.000 1.103 941 S CB 1.014 64.194 63.200 -0.034 0.000 0.992 941 S HN 0.996 nan 8.310 nan 0.000 0.469 942 S N 4.352 119.982 115.700 -0.116 0.000 2.549 942 S HA 0.251 4.721 4.470 0.000 0.000 0.286 942 S C -0.154 174.358 174.600 -0.147 0.000 1.314 942 S CA -0.154 57.952 58.200 -0.157 0.000 1.062 942 S CB -0.028 63.086 63.200 -0.142 0.000 0.865 942 S HN 0.681 nan 8.310 nan 0.000 0.498 943 L N 5.969 127.071 121.223 -0.201 0.000 2.371 943 L HA 0.348 4.688 4.340 0.000 0.000 0.262 943 L C -2.099 174.683 176.870 -0.147 0.000 1.054 943 L CA -2.008 52.735 54.840 -0.162 0.000 0.924 943 L CB 0.558 42.510 42.059 -0.179 0.000 1.295 943 L HN 0.370 nan 8.230 nan 0.000 0.441 944 P HA 0.001 nan 4.420 nan 0.000 0.269 944 P C 0.061 177.304 177.300 -0.094 0.000 1.215 944 P CA 0.202 63.239 63.100 -0.104 0.000 0.780 944 P CB 0.643 32.296 31.700 -0.078 0.000 0.898 945 D N -0.988 119.342 120.400 -0.116 0.000 3.059 945 D HA -0.224 4.416 4.640 0.000 0.000 0.220 945 D C -0.210 175.997 176.300 -0.154 0.000 1.169 945 D CA 1.329 55.253 54.000 -0.128 0.000 0.902 945 D CB -1.840 38.910 40.800 -0.082 0.000 1.116 945 D HN 0.345 nan 8.370 nan 0.000 0.417 946 L N -2.160 118.957 121.223 -0.177 0.000 3.485 946 L HA 0.396 4.736 4.340 0.000 0.000 0.175 946 L C 0.106 176.843 176.870 -0.221 0.000 1.195 946 L CA -0.760 53.998 54.840 -0.137 0.000 0.874 946 L CB 0.123 42.230 42.059 0.080 0.000 1.680 946 L HN -0.030 nan 8.230 nan 0.000 0.599 947 I N 1.511 121.893 120.570 -0.314 0.000 2.382 947 I HA 0.364 4.534 4.170 0.000 0.000 0.286 947 I C -0.869 175.026 176.117 -0.369 0.000 1.002 947 I CA -0.131 60.886 61.300 -0.471 0.000 1.135 947 I CB 1.313 38.775 38.000 -0.898 0.000 1.288 947 I HN 0.250 nan 8.210 nan 0.000 0.448 948 E N 5.663 125.695 120.200 -0.279 0.000 2.171 948 E HA 0.574 4.924 4.350 0.000 0.000 0.271 948 E C -0.773 175.734 176.600 -0.156 0.000 0.916 948 E CA -0.414 55.869 56.400 -0.195 0.000 0.774 948 E CB 2.132 31.762 29.700 -0.117 0.000 1.128 948 E HN 0.364 nan 8.360 nan 0.000 0.403 949 I N 2.597 123.065 120.570 -0.170 0.000 2.312 949 I HA 0.297 4.467 4.170 0.000 0.000 0.290 949 I C -0.294 175.779 176.117 -0.074 0.000 1.008 949 I CA -0.414 60.777 61.300 -0.181 0.000 1.226 949 I CB 1.017 38.808 38.000 -0.348 0.000 1.371 949 I HN 0.267 nan 8.210 nan 0.000 0.468 950 D N 6.017 126.437 120.400 0.035 0.000 2.492 950 D HA 0.337 4.977 4.640 0.000 0.000 0.248 950 D C 0.106 176.480 176.300 0.123 0.000 1.101 950 D CA -0.389 53.657 54.000 0.076 0.000 0.840 950 D CB 2.294 43.146 40.800 0.086 0.000 1.209 950 D HN 0.320 nan 8.370 nan 0.000 0.524 951 L N 3.550 124.814 121.223 0.067 0.000 2.316 951 L HA 0.131 4.471 4.340 0.000 0.000 0.207 951 L C 2.285 179.273 176.870 0.195 0.000 1.070 951 L CA 0.307 55.166 54.840 0.032 0.000 0.820 951 L CB -0.210 41.885 42.059 0.058 0.000 0.992 951 L HN 0.225 nan 8.230 nan 0.000 0.466 952 R N 1.196 121.769 120.500 0.122 0.000 2.113 952 R HA -0.128 4.213 4.340 0.000 0.000 0.244 952 R C 0.235 176.594 176.300 0.100 0.000 1.142 952 R CA 1.431 57.591 56.100 0.101 0.000 0.953 952 R CB -0.962 29.376 30.300 0.064 0.000 0.860 952 R HN 0.486 nan 8.270 nan 0.000 0.438 953 D N -0.983 119.477 120.400 0.099 0.000 2.454 953 D HA 0.019 4.659 4.640 0.000 0.000 0.247 953 D C -0.960 175.419 176.300 0.131 0.000 1.129 953 D CA -0.621 53.439 54.000 0.100 0.000 0.877 953 D CB 0.402 41.242 40.800 0.067 0.000 1.082 953 D HN 0.110 nan 8.370 nan 0.000 0.537 954 H N 1.169 120.239 119.070 -0.001 0.000 4.828 954 H HA 0.183 4.739 4.556 0.000 0.000 0.179 954 H C -0.584 174.707 175.328 -0.062 0.000 1.064 954 H CA 0.727 56.727 56.048 -0.080 0.000 1.445 954 H CB -0.368 29.256 29.762 -0.230 0.000 1.663 954 H HN 0.174 nan 8.280 nan 0.000 0.878 955 V N 3.020 123.063 119.914 0.215 0.000 2.888 955 V HA 0.182 4.302 4.120 0.000 0.000 0.309 955 V C -0.574 175.760 176.094 0.400 0.000 1.114 955 V CA -1.155 61.289 62.300 0.241 0.000 0.940 955 V CB 1.678 33.598 31.823 0.161 0.000 1.021 955 V HN 0.375 nan 8.190 nan 0.000 0.426 956 Y N 2.723 123.158 120.300 0.226 0.000 2.359 956 Y HA 0.447 4.997 4.550 0.000 0.000 0.334 956 Y C 0.954 176.922 175.900 0.112 0.000 1.058 956 Y CA -0.709 57.452 58.100 0.101 0.000 1.244 956 Y CB 0.872 39.382 38.460 0.083 0.000 1.187 956 Y HN 0.413 nan 8.280 nan 0.000 0.510 957 R N 5.577 126.196 120.500 0.197 0.000 2.870 957 R HA 0.102 4.442 4.340 0.000 0.000 0.254 957 R C -1.121 175.227 176.300 0.080 0.000 1.392 957 R CA -0.748 55.427 56.100 0.125 0.000 1.322 957 R CB -0.704 29.631 30.300 0.060 0.000 1.205 957 R HN 0.685 nan 8.270 nan 0.000 0.597 958 F N 3.314 123.273 119.950 0.014 0.000 2.590 958 F HA -0.058 4.469 4.527 0.000 0.000 0.389 958 F C 0.834 176.630 175.800 -0.006 0.000 1.049 958 F CA 0.652 58.645 58.000 -0.011 0.000 1.199 958 F CB 0.543 39.569 39.000 0.043 0.000 1.058 958 F HN 0.476 nan 8.300 nan 0.000 0.556 959 N N 3.365 121.509 118.700 -0.926 0.000 2.309 959 N HA -0.024 4.716 4.740 0.000 0.000 0.182 959 N C 0.995 176.079 175.510 -0.711 0.000 1.018 959 N CA 0.740 53.362 53.050 -0.714 0.000 0.876 959 N CB -0.142 38.061 38.487 -0.474 0.000 0.972 959 N HN 0.737 nan 8.380 nan 0.000 0.434 960 G N -0.025 107.997 108.800 -1.297 0.000 2.576 960 G HA2 0.290 4.250 3.960 0.000 0.000 0.291 960 G HA3 0.290 4.250 3.960 0.000 0.000 0.291 960 G C 1.156 176.035 174.900 -0.034 0.000 0.782 960 G CA 0.249 45.111 45.100 -0.396 0.000 1.886 960 G HN 0.387 nan 8.290 nan 0.000 0.493 961 G N 1.463 110.221 108.800 -0.071 0.000 4.862 961 G HA2 -0.320 3.640 3.960 0.000 0.000 0.344 961 G HA3 -0.320 3.640 3.960 0.000 0.000 0.344 961 G C 0.341 175.228 174.900 -0.021 0.000 1.365 961 G CA 0.965 46.051 45.100 -0.022 0.000 1.066 961 G HN 1.043 nan 8.290 nan 0.000 0.808 962 E N 0.365 120.595 120.200 0.050 0.000 2.539 962 E HA 0.441 4.791 4.350 0.000 0.000 0.332 962 E C -1.172 175.538 176.600 0.183 0.000 0.910 962 E CA -0.343 56.109 56.400 0.087 0.000 0.785 962 E CB 1.005 30.740 29.700 0.058 0.000 1.406 962 E HN 0.640 nan 8.360 nan 0.000 0.391 963 R N 3.452 124.135 120.500 0.305 0.000 2.467 963 R HA 0.291 4.631 4.340 0.000 0.000 0.299 963 R C -0.135 176.325 176.300 0.267 0.000 1.120 963 R CA -0.510 55.765 56.100 0.292 0.000 0.940 963 R CB 0.786 31.273 30.300 0.311 0.000 1.161 963 R HN 0.261 nan 8.270 nan 0.000 0.506 964 V N 1.936 121.962 119.914 0.186 0.000 2.415 964 V HA 0.163 4.283 4.120 0.000 0.000 0.252 964 V C -0.085 176.125 176.094 0.194 0.000 1.043 964 V CA 0.057 62.463 62.300 0.177 0.000 1.149 964 V CB 0.248 32.146 31.823 0.125 0.000 1.143 964 V HN 0.575 nan 8.190 nan 0.000 0.478 965 E N 6.518 126.876 120.200 0.264 0.000 2.035 965 E HA 0.392 4.742 4.350 0.000 0.000 0.271 965 E C -2.554 174.175 176.600 0.215 0.000 0.953 965 E CA -2.328 54.241 56.400 0.282 0.000 0.777 965 E CB 1.604 31.559 29.700 0.424 0.000 1.104 965 E HN 0.524 nan 8.360 nan 0.000 0.408 966 P HA -0.105 nan 4.420 nan 0.000 0.261 966 P C -0.800 176.442 177.300 -0.096 0.000 1.173 966 P CA 0.560 63.680 63.100 0.033 0.000 0.760 966 P CB -0.014 31.701 31.700 0.024 0.000 0.783 967 Y N 2.880 123.008 120.300 -0.286 0.000 2.462 967 Y HA 0.744 5.294 4.550 0.000 0.000 0.346 967 Y C -1.432 174.379 175.900 -0.149 0.000 0.976 967 Y CA -1.694 56.099 58.100 -0.513 0.000 1.044 967 Y CB 1.410 39.089 38.460 -1.302 0.000 1.230 967 Y HN 0.462 nan 8.280 nan 0.000 0.455 968 A N 4.723 127.187 122.820 -0.593 0.000 2.342 968 A HA 0.346 4.666 4.320 0.000 0.000 0.323 968 A C -0.810 176.645 177.584 -0.215 0.000 1.125 968 A CA -0.806 50.985 52.037 -0.410 0.000 0.785 968 A CB 0.669 19.570 19.000 -0.165 0.000 1.221 968 A HN 0.892 nan 8.150 nan 0.000 0.463 969 D N 3.238 123.615 120.400 -0.039 0.000 2.443 969 D HA 0.073 4.713 4.640 0.000 0.000 0.239 969 D C -1.151 175.176 176.300 0.045 0.000 1.136 969 D CA -1.073 53.001 54.000 0.123 0.000 0.879 969 D CB 1.241 42.172 40.800 0.219 0.000 1.195 969 D HN 0.261 nan 8.370 nan 0.000 0.443 970 P HA -0.155 nan 4.420 nan 0.000 0.217 970 P C 1.527 178.834 177.300 0.011 0.000 1.148 970 P CA 0.810 63.915 63.100 0.008 0.000 0.828 970 P CB 0.283 31.944 31.700 -0.066 0.000 0.783 971 V N 0.808 120.728 119.914 0.009 0.000 2.302 971 V HA -0.058 4.062 4.120 0.000 0.000 0.243 971 V C -0.319 175.767 176.094 -0.013 0.000 1.036 971 V CA 2.145 64.447 62.300 0.002 0.000 1.020 971 V CB -2.494 29.335 31.823 0.010 0.000 0.657 971 V HN 0.103 nan 8.190 nan 0.000 0.453 972 P HA -0.196 nan 4.420 nan 0.000 0.216 972 P C 2.001 179.266 177.300 -0.058 0.000 1.153 972 P CA 1.440 64.503 63.100 -0.061 0.000 0.858 972 P CB -0.074 31.556 31.700 -0.117 0.000 0.789 973 L N -0.265 120.931 121.223 -0.045 0.000 1.963 973 L HA -0.301 4.039 4.340 0.000 0.000 0.220 973 L C 2.503 179.358 176.870 -0.024 0.000 1.076 973 L CA 2.071 56.894 54.840 -0.029 0.000 0.772 973 L CB -1.177 40.888 42.059 0.010 0.000 0.892 973 L HN -0.058 nan 8.230 nan 0.000 0.435 974 Q N -1.312 118.485 119.800 -0.005 0.000 2.135 974 Q HA -0.265 4.075 4.340 0.000 0.000 0.204 974 Q C 2.278 178.263 176.000 -0.026 0.000 0.981 974 Q CA 1.621 57.418 55.803 -0.011 0.000 0.856 974 Q CB -0.187 28.550 28.738 -0.002 0.000 0.902 974 Q HN 0.562 nan 8.270 nan 0.000 0.425 975 Q N -0.242 119.541 119.800 -0.027 0.000 2.084 975 Q HA -0.122 4.218 4.340 0.000 0.000 0.202 975 Q C 2.065 178.041 176.000 -0.039 0.000 0.978 975 Q CA 1.556 57.340 55.803 -0.031 0.000 0.844 975 Q CB -0.268 28.451 28.738 -0.032 0.000 0.898 975 Q HN 0.411 nan 8.270 nan 0.000 0.426 976 A N 0.455 123.247 122.820 -0.046 0.000 1.930 976 A HA -0.127 4.193 4.320 0.000 0.000 0.217 976 A C 2.125 179.675 177.584 -0.056 0.000 1.175 976 A CA 1.034 53.041 52.037 -0.052 0.000 0.627 976 A CB -0.563 18.402 19.000 -0.057 0.000 0.815 976 A HN 0.335 nan 8.150 nan 0.000 0.443 977 I N -0.032 120.501 120.570 -0.061 0.000 2.163 977 I HA -0.220 3.950 4.170 0.000 0.000 0.240 977 I C 2.935 179.017 176.117 -0.059 0.000 1.081 977 I CA 1.116 62.373 61.300 -0.071 0.000 1.353 977 I CB -0.611 37.336 38.000 -0.088 0.000 1.054 977 I HN 0.277 nan 8.210 nan 0.000 0.407 978 A N 1.094 123.886 122.820 -0.047 0.000 1.892 978 A HA -0.239 4.081 4.320 0.000 0.000 0.218 978 A C 2.556 180.119 177.584 -0.035 0.000 1.188 978 A CA 2.373 54.387 52.037 -0.038 0.000 0.631 978 A CB -1.088 17.895 19.000 -0.029 0.000 0.822 978 A HN 0.470 nan 8.150 nan 0.000 0.447 979 A N -1.068 121.731 122.820 -0.035 0.000 1.933 979 A HA 0.047 4.367 4.320 0.000 0.000 0.218 979 A C 2.121 179.685 177.584 -0.034 0.000 1.175 979 A CA 1.680 53.698 52.037 -0.032 0.000 0.628 979 A CB -0.524 18.457 19.000 -0.032 0.000 0.814 979 A HN 0.554 nan 8.150 nan 0.000 0.444 980 L N -1.089 120.109 121.223 -0.041 0.000 1.950 980 L HA 0.222 4.562 4.340 0.000 0.000 0.210 980 L C 0.233 177.078 176.870 -0.043 0.000 1.079 980 L CA 2.319 57.133 54.840 -0.044 0.000 0.754 980 L CB -0.189 41.836 42.059 -0.055 0.000 0.889 980 L HN 0.647 nan 8.230 nan 0.000 0.433 981 L N -7.105 114.088 121.223 -0.049 0.000 2.992 981 L HA 0.407 4.747 4.340 0.000 0.000 0.252 981 L C -2.697 174.138 176.870 -0.058 0.000 0.983 981 L CA -0.811 54.000 54.840 -0.048 0.000 1.005 981 L CB 0.497 42.528 42.059 -0.046 0.000 1.506 981 L HN -0.160 nan 8.230 nan 0.000 0.414 982 P HA 0.328 nan 4.420 nan 0.000 0.290 982 P C 0.480 177.744 177.300 -0.061 0.000 1.519 982 P CA 0.508 63.573 63.100 -0.059 0.000 1.189 982 P CB 1.256 32.931 31.700 -0.043 0.000 1.569 983 A N 0.290 123.075 122.820 -0.059 0.000 2.081 983 A HA 0.418 4.738 4.320 0.000 0.000 0.213 983 A C 0.823 178.366 177.584 -0.068 0.000 1.374 983 A CA 0.639 52.643 52.037 -0.055 0.000 1.203 983 A CB -1.202 17.770 19.000 -0.047 0.000 0.786 983 A HN 0.346 nan 8.150 nan 0.000 0.535 984 A N -1.274 121.495 122.820 -0.085 0.000 2.594 984 A HA 0.730 5.050 4.320 0.000 0.000 0.295 984 A C -0.122 177.384 177.584 -0.129 0.000 1.071 984 A CA -0.072 51.898 52.037 -0.113 0.000 0.685 984 A CB 0.336 19.252 19.000 -0.141 0.000 1.285 984 A HN 1.455 nan 8.150 nan 0.000 0.405 985 A N 0.660 123.387 122.820 -0.155 0.000 2.454 985 A HA 0.576 4.896 4.320 0.000 0.000 0.260 985 A C -0.599 176.835 177.584 -0.251 0.000 1.106 985 A CA 0.132 52.066 52.037 -0.172 0.000 0.780 985 A CB -0.506 18.390 19.000 -0.174 0.000 1.044 985 A HN 0.884 nan 8.150 nan 0.000 0.498 986 L N 3.641 124.732 121.223 -0.220 0.000 2.313 986 L HA 0.393 4.733 4.340 0.000 0.000 0.273 986 L C 0.330 177.030 176.870 -0.284 0.000 1.028 986 L CA 0.138 54.794 54.840 -0.306 0.000 0.871 986 L CB 1.364 43.269 42.059 -0.256 0.000 1.242 986 L HN 0.737 nan 8.230 nan 0.000 0.434 987 S N 0.882 116.338 115.700 -0.407 0.000 2.521 987 S HA 0.705 5.175 4.470 0.000 0.000 0.295 987 S C -1.330 173.026 174.600 -0.406 0.000 1.098 987 S CA -0.744 57.288 58.200 -0.280 0.000 0.999 987 S CB 0.950 64.045 63.200 -0.175 0.000 1.034 987 S HN 0.349 nan 8.310 nan 0.000 0.483 988 W N 1.377 122.572 121.300 -0.175 0.000 2.573 988 W HA 0.414 5.074 4.660 0.000 0.000 0.326 988 W C 0.112 176.607 176.519 -0.041 0.000 1.049 988 W CA -0.869 56.372 57.345 -0.174 0.000 1.220 988 W CB 0.822 30.210 29.460 -0.121 0.000 1.373 988 W HN 0.738 nan 8.180 nan 0.000 0.507 989 H N 1.402 120.604 119.070 0.221 0.000 3.291 989 H HA 0.059 4.615 4.556 0.000 0.000 0.256 989 H C 1.024 176.412 175.328 0.100 0.000 1.315 989 H CA -0.183 55.931 56.048 0.109 0.000 1.521 989 H CB 0.110 29.901 29.762 0.048 0.000 1.621 989 H HN 0.345 nan 8.280 nan 0.000 0.498 990 T N 1.608 116.288 114.554 0.210 0.000 4.496 990 T HA -0.049 4.301 4.350 0.000 0.000 0.248 990 T C 1.334 176.159 174.700 0.208 0.000 0.797 990 T CA 0.018 62.202 62.100 0.140 0.000 1.100 990 T CB -0.636 68.242 68.868 0.016 0.000 1.356 990 T HN 0.504 nan 8.240 nan 0.000 0.727 991 L N 0.365 121.707 121.223 0.199 0.000 2.156 991 L HA -0.042 4.298 4.340 0.000 0.000 0.208 991 L C 2.850 180.034 176.870 0.522 0.000 1.095 991 L CA 0.839 55.849 54.840 0.284 0.000 0.770 991 L CB -0.650 41.346 42.059 -0.106 0.000 0.914 991 L HN 0.431 nan 8.230 nan 0.000 0.439 992 S N 0.136 116.031 115.700 0.325 0.000 2.440 992 S HA -0.064 4.406 4.470 0.000 0.000 0.238 992 S C -0.607 174.171 174.600 0.296 0.000 1.010 992 S CA 1.198 59.586 58.200 0.313 0.000 0.972 992 S CB -0.924 62.400 63.200 0.207 0.000 0.774 992 S HN 0.478 nan 8.310 nan 0.000 0.501 993 P HA 0.139 nan 4.420 nan 0.000 0.251 993 P C -0.049 177.316 177.300 0.108 0.000 1.198 993 P CA 0.597 63.803 63.100 0.176 0.000 0.847 993 P CB -0.066 31.713 31.700 0.133 0.000 1.082 994 T N -1.720 112.929 114.554 0.159 0.000 2.806 994 T HA 0.231 4.581 4.350 0.000 0.000 0.290 994 T C 1.125 175.632 174.700 -0.322 0.000 0.966 994 T CA -0.484 61.637 62.100 0.036 0.000 1.060 994 T CB 0.790 69.766 68.868 0.180 0.000 0.927 994 T HN -0.053 nan 8.240 nan 0.000 0.485 995 C N 2.252 121.344 119.300 -0.347 0.000 2.448 995 C HA -0.005 4.455 4.460 0.000 0.000 0.280 995 C C 2.145 176.806 174.990 -0.547 0.000 1.398 995 C CA 0.239 58.933 59.018 -0.540 0.000 1.774 995 C CB -1.293 26.259 27.740 -0.313 0.000 1.888 995 C HN 0.953 nan 8.230 nan 0.000 0.519 996 D N 1.287 121.508 120.400 -0.299 0.000 2.172 996 D HA -0.200 4.440 4.640 0.000 0.000 0.196 996 D C 1.985 178.305 176.300 0.033 0.000 0.999 996 D CA 1.565 55.516 54.000 -0.082 0.000 0.856 996 D CB -0.382 40.441 40.800 0.038 0.000 0.934 996 D HN 0.775 nan 8.370 nan 0.000 0.453 997 W N 0.826 122.192 121.300 0.111 0.000 2.467 997 W HA 0.087 4.747 4.660 0.000 0.000 0.275 997 W C 1.570 178.219 176.519 0.216 0.000 1.239 997 W CA -0.239 57.200 57.345 0.155 0.000 1.266 997 W CB -1.017 28.515 29.460 0.119 0.000 1.112 997 W HN 0.011 nan 8.180 nan 0.000 0.576 998 L N 2.932 124.166 121.223 0.019 0.000 2.127 998 L HA -0.081 4.259 4.340 0.000 0.000 0.211 998 L C -0.550 176.427 176.870 0.178 0.000 1.089 998 L CA 1.958 56.862 54.840 0.107 0.000 0.757 998 L CB -1.798 40.119 42.059 -0.235 0.000 0.899 998 L HN -0.308 nan 8.230 nan 0.000 0.434 999 P HA -0.256 nan 4.420 nan 0.000 0.216 999 P C 1.202 178.656 177.300 0.256 0.000 1.150 999 P CA 1.573 64.768 63.100 0.159 0.000 0.843 999 P CB -0.225 31.529 31.700 0.090 0.000 0.787 1000 Y N 0.708 121.168 120.300 0.266 0.000 2.070 1000 Y HA -0.274 4.276 4.550 0.000 0.000 0.280 1000 Y C 2.069 178.166 175.900 0.328 0.000 1.148 1000 Y CA 1.622 59.940 58.100 0.364 0.000 1.125 1000 Y CB -1.168 37.512 38.460 0.368 0.000 0.975 1000 Y HN -0.207 nan 8.280 nan 0.000 0.492 1001 I N 0.699 121.411 120.570 0.235 0.000 2.113 1001 I HA -0.421 3.749 4.170 0.000 0.000 0.242 1001 I C 2.361 178.551 176.117 0.122 0.000 1.057 1001 I CA 2.253 63.651 61.300 0.163 0.000 1.314 1001 I CB -0.877 37.288 38.000 0.275 0.000 1.022 1001 I HN 0.283 nan 8.210 nan 0.000 0.408 1002 I N 0.650 121.329 120.570 0.182 0.000 2.264 1002 I HA -0.238 3.932 4.170 0.000 0.000 0.248 1002 I C 2.666 178.894 176.117 0.184 0.000 1.111 1002 I CA 1.567 63.001 61.300 0.224 0.000 1.382 1002 I CB -1.273 36.876 38.000 0.248 0.000 1.060 1002 I HN 0.375 nan 8.210 nan 0.000 0.418 1003 G N 1.135 110.036 108.800 0.169 0.000 2.462 1003 G HA2 -0.162 3.798 3.960 0.000 0.000 0.220 1003 G HA3 -0.162 3.798 3.960 0.000 0.000 0.220 1003 G C 1.260 176.169 174.900 0.015 0.000 1.121 1003 G CA 1.067 46.315 45.100 0.247 0.000 0.758 1003 G HN 0.429 nan 8.290 nan 0.000 0.559 1004 V N -2.298 117.553 119.914 -0.106 0.000 2.908 1004 V HA 0.656 4.776 4.120 0.000 0.000 0.369 1004 V C 1.099 177.089 176.094 -0.173 0.000 1.259 1004 V CA -0.559 61.637 62.300 -0.173 0.000 1.406 1004 V CB -0.431 31.277 31.823 -0.192 0.000 1.475 1004 V HN 0.742 nan 8.190 nan 0.000 0.587 1005 G N 1.245 109.869 108.800 -0.293 0.000 2.396 1005 G HA2 -0.229 3.731 3.960 0.000 0.000 0.288 1005 G HA3 -0.229 3.731 3.960 0.000 0.000 0.288 1005 G C 0.143 174.861 174.900 -0.303 0.000 0.926 1005 G CA 0.818 45.554 45.100 -0.605 0.000 1.211 1005 G HN 0.893 nan 8.290 nan 0.000 0.496 1006 S N 1.020 116.727 115.700 0.013 0.000 2.667 1006 S HA 0.480 4.950 4.470 0.000 0.000 0.304 1006 S C -2.239 172.561 174.600 0.333 0.000 1.135 1006 S CA -0.971 57.341 58.200 0.188 0.000 1.125 1006 S CB 2.326 65.588 63.200 0.104 0.000 0.996 1006 S HN 0.185 nan 8.310 nan 0.000 0.474 1007 P HA 0.001 nan 4.420 nan 0.000 0.252 1007 P C -0.309 177.073 177.300 0.137 0.000 1.183 1007 P CA 0.191 63.420 63.100 0.215 0.000 0.973 1007 P CB -0.256 31.562 31.700 0.198 0.000 0.990 1008 L N 2.176 123.464 121.223 0.109 0.000 2.499 1008 L HA 0.101 4.441 4.340 0.000 0.000 0.281 1008 L C 1.051 177.954 176.870 0.055 0.000 1.234 1008 L CA 0.536 55.427 54.840 0.085 0.000 0.839 1008 L CB 0.097 42.196 42.059 0.065 0.000 1.104 1008 L HN 0.401 nan 8.230 nan 0.000 0.500 1009 N N 1.200 119.945 118.700 0.075 0.000 2.295 1009 N HA 0.300 5.040 4.740 0.000 0.000 0.293 1009 N C 0.259 175.822 175.510 0.090 0.000 1.040 1009 N CA -0.537 52.555 53.050 0.070 0.000 0.840 1009 N CB 2.144 40.676 38.487 0.075 0.000 1.468 1009 N HN 0.624 nan 8.380 nan 0.000 0.478 1010 L N 1.671 122.942 121.223 0.080 0.000 2.131 1010 L HA -0.033 4.307 4.340 0.000 0.000 0.206 1010 L C 2.159 179.190 176.870 0.268 0.000 1.087 1010 L CA 0.830 55.728 54.840 0.098 0.000 0.767 1010 L CB -0.159 41.919 42.059 0.033 0.000 0.917 1010 L HN 0.515 nan 8.230 nan 0.000 0.441 1011 S N -0.259 115.579 115.700 0.229 0.000 2.383 1011 S HA -0.165 4.305 4.470 0.000 0.000 0.227 1011 S C 1.441 176.145 174.600 0.174 0.000 1.026 1011 S CA 1.222 59.544 58.200 0.204 0.000 0.981 1011 S CB -0.271 62.999 63.200 0.118 0.000 0.818 1011 S HN 0.452 nan 8.310 nan 0.000 0.472 1012 D N 1.144 121.631 120.400 0.145 0.000 2.218 1012 D HA -0.037 4.603 4.640 0.000 0.000 0.204 1012 D C 1.715 178.116 176.300 0.167 0.000 0.976 1012 D CA 0.582 54.661 54.000 0.132 0.000 0.853 1012 D CB -0.267 40.595 40.800 0.103 0.000 0.939 1012 D HN 0.264 nan 8.370 nan 0.000 0.481 1013 I N 2.762 123.458 120.570 0.210 0.000 2.127 1013 I HA -0.275 3.895 4.170 0.000 0.000 0.241 1013 I C 2.213 178.518 176.117 0.312 0.000 1.075 1013 I CA 1.109 62.574 61.300 0.275 0.000 1.334 1013 I CB -0.545 37.592 38.000 0.227 0.000 1.040 1013 I HN 0.108 nan 8.210 nan 0.000 0.405 1014 N N -0.284 118.626 118.700 0.350 0.000 2.188 1014 N HA -0.203 4.537 4.740 0.000 0.000 0.184 1014 N C 1.730 177.358 175.510 0.197 0.000 1.018 1014 N CA 2.134 55.367 53.050 0.305 0.000 0.858 1014 N CB -1.142 37.506 38.487 0.268 0.000 0.989 1014 N HN 0.482 nan 8.380 nan 0.000 0.426 1015 T N -0.538 114.114 114.554 0.163 0.000 2.684 1015 T HA -0.043 4.307 4.350 0.000 0.000 0.267 1015 T C 2.310 177.103 174.700 0.155 0.000 1.036 1015 T CA 1.568 63.750 62.100 0.137 0.000 1.148 1015 T CB -0.685 68.252 68.868 0.115 0.000 0.863 1015 T HN 0.356 nan 8.240 nan 0.000 0.436 1016 A N 1.793 124.688 122.820 0.124 0.000 1.883 1016 A HA 0.023 4.343 4.320 0.000 0.000 0.217 1016 A C 2.431 180.070 177.584 0.092 0.000 1.186 1016 A CA 1.651 53.717 52.037 0.048 0.000 0.624 1016 A CB -1.088 17.910 19.000 -0.003 0.000 0.822 1016 A HN 0.574 nan 8.150 nan 0.000 0.444 1017 I N 0.279 120.952 120.570 0.172 0.000 2.143 1017 I HA -0.374 3.796 4.170 0.000 0.000 0.245 1017 I C 2.740 178.960 176.117 0.171 0.000 1.068 1017 I CA 1.864 63.290 61.300 0.210 0.000 1.326 1017 I CB -0.271 37.904 38.000 0.291 0.000 1.028 1017 I HN 0.305 nan 8.210 nan 0.000 0.412 1018 S N -0.507 115.288 115.700 0.159 0.000 2.359 1018 S HA -0.255 4.215 4.470 0.000 0.000 0.224 1018 S C 1.935 176.640 174.600 0.174 0.000 1.035 1018 S CA 1.471 59.754 58.200 0.137 0.000 1.018 1018 S CB -0.542 62.724 63.200 0.109 0.000 0.876 1018 S HN 0.419 nan 8.310 nan 0.000 0.448 1019 Y N 3.040 123.363 120.300 0.038 0.000 2.242 1019 Y HA -0.155 4.395 4.550 0.000 0.000 0.291 1019 Y C 2.735 178.662 175.900 0.045 0.000 1.137 1019 Y CA 0.905 59.023 58.100 0.030 0.000 1.181 1019 Y CB -0.890 37.592 38.460 0.036 0.000 0.989 1019 Y HN 0.376 nan 8.280 nan 0.000 0.527 1020 S N 0.299 116.147 115.700 0.247 0.000 2.400 1020 S HA -0.335 4.135 4.470 0.000 0.000 0.234 1020 S C 2.237 176.910 174.600 0.120 0.000 1.049 1020 S CA 1.557 59.843 58.200 0.143 0.000 1.039 1020 S CB -0.770 62.458 63.200 0.045 0.000 0.856 1020 S HN 0.510 nan 8.310 nan 0.000 0.465 1021 R N 0.467 121.036 120.500 0.115 0.000 2.193 1021 R HA 0.038 4.378 4.340 0.000 0.000 0.229 1021 R C 1.352 177.672 176.300 0.033 0.000 1.110 1021 R CA 1.081 57.218 56.100 0.061 0.000 0.988 1021 R CB -0.393 29.965 30.300 0.096 0.000 0.871 1021 R HN 0.482 nan 8.270 nan 0.000 0.458 1022 L N -0.780 120.507 121.223 0.106 0.000 2.556 1022 L HA 0.065 4.405 4.340 0.000 0.000 0.226 1022 L C 0.854 177.880 176.870 0.260 0.000 1.089 1022 L CA 0.839 55.780 54.840 0.168 0.000 0.864 1022 L CB 0.696 42.824 42.059 0.114 0.000 1.067 1022 L HN 0.042 nan 8.230 nan 0.000 0.477 1023 T N -1.710 112.997 114.554 0.255 0.000 3.327 1023 T HA 0.504 4.854 4.350 0.000 0.000 0.373 1023 T C -2.828 171.946 174.700 0.123 0.000 1.589 1023 T CA -1.633 60.599 62.100 0.221 0.000 1.497 1023 T CB 1.066 70.176 68.868 0.402 0.000 1.032 1023 T HN -0.185 nan 8.240 nan 0.000 0.640 1024 P HA 0.624 nan 4.420 nan 0.000 0.285 1024 P C -0.576 176.829 177.300 0.175 0.000 1.280 1024 P CA -1.054 62.114 63.100 0.114 0.000 0.862 1024 P CB 1.540 33.266 31.700 0.043 0.000 1.153 1025 I N 1.375 122.064 120.570 0.199 0.000 2.291 1025 I HA 0.183 4.353 4.170 0.000 0.000 0.290 1025 I C 0.608 176.717 176.117 -0.013 0.000 1.050 1025 I CA -0.763 60.605 61.300 0.113 0.000 1.245 1025 I CB 0.445 38.562 38.000 0.196 0.000 1.405 1025 I HN 0.148 nan 8.210 nan 0.000 0.478 1026 L N 7.288 128.468 121.223 -0.072 0.000 2.407 1026 L HA 0.170 4.510 4.340 0.000 0.000 0.282 1026 L C -0.040 176.492 176.870 -0.563 0.000 1.110 1026 L CA 0.456 54.949 54.840 -0.577 0.000 0.863 1026 L CB -0.275 41.270 42.059 -0.857 0.000 1.207 1026 L HN 0.538 nan 8.230 nan 0.000 0.454 1027 H N 7.088 125.635 119.070 -0.872 0.000 2.640 1027 H HA 0.397 4.953 4.556 0.000 0.000 0.297 1027 H C -0.800 174.140 175.328 -0.647 0.000 1.073 1027 H CA -0.748 54.768 56.048 -0.888 0.000 1.305 1027 H CB 0.751 29.735 29.762 -1.296 0.000 1.404 1027 H HN 0.734 nan 8.280 nan 0.000 0.459 1028 I N 2.348 122.530 120.570 -0.646 0.000 2.411 1028 I HA 0.376 4.546 4.170 0.000 0.000 0.284 1028 I C -1.239 174.616 176.117 -0.436 0.000 1.012 1028 I CA -0.925 60.072 61.300 -0.505 0.000 1.119 1028 I CB 1.821 39.582 38.000 -0.398 0.000 1.261 1028 I HN 0.311 nan 8.210 nan 0.000 0.448 1029 D N 4.730 124.883 120.400 -0.412 0.000 2.303 1029 D HA 0.295 4.935 4.640 0.000 0.000 0.236 1029 D C 1.258 177.447 176.300 -0.185 0.000 1.068 1029 D CA -0.171 53.652 54.000 -0.296 0.000 0.830 1029 D CB 2.261 42.871 40.800 -0.317 0.000 1.109 1029 D HN 0.768 nan 8.370 nan 0.000 0.496 1030 T N -0.723 113.753 114.554 -0.131 0.000 2.472 1030 T HA -0.156 4.194 4.350 0.000 0.000 0.249 1030 T C 1.233 175.886 174.700 -0.078 0.000 1.205 1030 T CA 0.907 62.949 62.100 -0.097 0.000 1.268 1030 T CB -0.975 67.850 68.868 -0.071 0.000 0.872 1030 T HN 0.417 nan 8.240 nan 0.000 0.393 1031 T N 1.762 116.282 114.554 -0.057 0.000 3.416 1031 T HA 0.471 4.821 4.350 0.000 0.000 0.247 1031 T C -0.065 174.607 174.700 -0.046 0.000 0.973 1031 T CA -0.310 61.764 62.100 -0.042 0.000 1.166 1031 T CB -1.531 67.322 68.868 -0.026 0.000 1.040 1031 T HN 0.935 nan 8.240 nan 0.000 0.746 1032 T N -0.169 114.353 114.554 -0.052 0.000 2.775 1032 T HA 0.525 4.875 4.350 0.000 0.000 0.320 1032 T C -3.428 171.245 174.700 -0.044 0.000 1.597 1032 T CA -1.628 60.440 62.100 -0.054 0.000 1.022 1032 T CB 1.202 70.024 68.868 -0.077 0.000 1.485 1032 T HN 0.175 nan 8.240 nan 0.000 0.494 1033 P HA 0.342 nan 4.420 nan 0.000 0.271 1033 P C -2.717 174.570 177.300 -0.020 0.000 1.226 1033 P CA -1.141 61.949 63.100 -0.016 0.000 0.765 1033 P CB -0.826 30.876 31.700 0.004 0.000 0.835 1034 P HA -0.018 nan 4.420 nan 0.000 0.261 1034 P C -0.187 177.115 177.300 0.003 0.000 1.165 1034 P CA 0.363 63.450 63.100 -0.022 0.000 0.759 1034 P CB 0.209 31.898 31.700 -0.018 0.000 0.772 1035 L N 5.008 126.230 121.223 -0.000 0.000 2.307 1035 L HA 0.404 4.744 4.340 0.000 0.000 0.282 1035 L C 0.131 177.038 176.870 0.060 0.000 1.051 1035 L CA -0.462 54.406 54.840 0.047 0.000 0.804 1035 L CB 0.887 42.965 42.059 0.032 0.000 1.197 1035 L HN 0.210 nan 8.230 nan 0.000 0.431 1036 R N 4.778 125.353 120.500 0.126 0.000 2.278 1036 R HA 0.448 4.788 4.340 0.000 0.000 0.322 1036 R C -1.206 175.219 176.300 0.208 0.000 1.058 1036 R CA -0.511 55.668 56.100 0.131 0.000 0.991 1036 R CB 0.959 31.324 30.300 0.108 0.000 1.140 1036 R HN 0.472 nan 8.270 nan 0.000 0.518 1037 V N 0.090 120.043 119.914 0.065 0.000 2.357 1037 V HA 0.549 4.669 4.120 0.000 0.000 0.284 1037 V C -0.510 175.545 176.094 -0.065 0.000 1.018 1037 V CA -0.833 61.416 62.300 -0.085 0.000 0.841 1037 V CB 1.684 33.365 31.823 -0.238 0.000 0.991 1037 V HN 0.604 nan 8.190 nan 0.000 0.437 1038 N N 6.642 125.340 118.700 -0.003 0.000 2.776 1038 N HA 0.581 5.321 4.740 0.000 0.000 0.245 1038 N C -2.583 172.971 175.510 0.073 0.000 1.121 1038 N CA -1.733 51.345 53.050 0.047 0.000 0.852 1038 N CB 2.124 40.663 38.487 0.085 0.000 1.142 1038 N HN 0.588 nan 8.380 nan 0.000 0.514 1039 P HA 0.174 nan 4.420 nan 0.000 0.298 1039 P C 0.346 177.697 177.300 0.085 0.000 1.802 1039 P CA -0.231 62.918 63.100 0.083 0.000 1.331 1039 P CB 0.418 32.156 31.700 0.064 0.000 1.699 1040 V N -3.720 116.235 119.914 0.068 0.000 3.307 1040 V HA 0.422 4.542 4.120 0.000 0.000 0.244 1040 V C -2.070 174.058 176.094 0.056 0.000 1.196 1040 V CA -0.497 61.837 62.300 0.057 0.000 1.132 1040 V CB -1.393 30.453 31.823 0.039 0.000 0.875 1040 V HN 0.013 nan 8.190 nan 0.000 0.468 1041 P HA 0.361 nan 4.420 nan 0.000 0.282 1041 P C 0.168 177.503 177.300 0.058 0.000 1.249 1041 P CA 0.952 64.081 63.100 0.048 0.000 0.806 1041 P CB 0.672 32.394 31.700 0.037 0.000 0.984 1042 T N 0.224 114.809 114.554 0.051 0.000 3.398 1042 T HA -0.146 4.204 4.350 0.000 0.000 0.408 1042 T C -1.943 172.802 174.700 0.075 0.000 0.769 1042 T CA 0.207 62.341 62.100 0.056 0.000 2.018 1042 T CB -2.111 66.785 68.868 0.046 0.000 1.703 1042 T HN 0.308 nan 8.240 nan 0.000 0.639 1043 P HA 0.099 nan 4.420 nan 0.000 0.203 1043 P C 1.447 178.809 177.300 0.104 0.000 1.202 1043 P CA 0.196 63.355 63.100 0.099 0.000 0.917 1043 P CB -0.131 31.627 31.700 0.096 0.000 0.750 1044 L N -0.581 120.703 121.223 0.102 0.000 4.689 1044 L HA -0.264 4.076 4.340 0.000 0.000 0.548 1044 L C -0.240 176.738 176.870 0.179 0.000 0.919 1044 L CA 1.007 55.924 54.840 0.128 0.000 0.757 1044 L CB -2.786 39.340 42.059 0.112 0.000 1.817 1044 L HN 0.259 nan 8.230 nan 0.000 0.794 1045 N N -2.310 116.493 118.700 0.172 0.000 2.721 1045 N HA -0.281 4.459 4.740 0.000 0.000 0.249 1045 N C 1.020 176.608 175.510 0.130 0.000 1.072 1045 N CA 0.801 53.959 53.050 0.180 0.000 0.710 1045 N CB -0.301 38.353 38.487 0.279 0.000 0.993 1045 N HN 0.686 nan 8.380 nan 0.000 0.547 1046 Q N 0.630 120.495 119.800 0.109 0.000 2.160 1046 Q HA 0.219 4.559 4.340 0.000 0.000 0.166 1046 Q C -0.759 175.292 176.000 0.086 0.000 0.592 1046 Q CA 1.115 56.967 55.803 0.083 0.000 0.711 1046 Q CB 0.762 29.543 28.738 0.071 0.000 1.157 1046 Q HN 0.536 nan 8.270 nan 0.000 0.463 1047 Q N 0.204 120.057 119.800 0.088 0.000 2.774 1047 Q HA 0.330 4.670 4.340 0.000 0.000 0.232 1047 Q C -1.010 175.042 176.000 0.087 0.000 0.985 1047 Q CA -0.525 55.334 55.803 0.094 0.000 1.058 1047 Q CB -0.326 28.456 28.738 0.073 0.000 1.789 1047 Q HN 0.538 nan 8.270 nan 0.000 0.487 1048 C N 1.043 120.414 119.300 0.119 0.000 2.539 1048 C HA 0.998 5.458 4.460 0.000 0.000 0.392 1048 C C 0.491 175.508 174.990 0.045 0.000 1.269 1048 C CA 0.416 59.505 59.018 0.119 0.000 2.250 1048 C CB 0.112 27.989 27.740 0.228 0.000 2.584 1048 C HN 0.894 nan 8.230 nan 0.000 0.589 1049 A N 3.448 126.283 122.820 0.025 0.000 2.365 1049 A HA 0.951 5.271 4.320 0.000 0.000 0.318 1049 A C -0.809 176.763 177.584 -0.020 0.000 1.091 1049 A CA -0.489 51.526 52.037 -0.037 0.000 0.763 1049 A CB 0.980 19.964 19.000 -0.026 0.000 1.248 1049 A HN 1.613 nan 8.150 nan 0.000 0.442 1050 I N -0.017 120.507 120.570 -0.076 0.000 2.604 1050 I HA 0.415 4.585 4.170 0.000 0.000 0.306 1050 I C -1.483 174.570 176.117 -0.108 0.000 1.912 1050 I CA -0.193 61.081 61.300 -0.042 0.000 0.927 1050 I CB 1.678 39.724 38.000 0.076 0.000 1.473 1050 I HN 0.791 nan 8.210 nan 0.000 0.634 1051 R N 4.024 124.484 120.500 -0.067 0.000 2.561 1051 R HA 0.714 5.054 4.340 0.000 0.000 0.297 1051 R C -1.175 175.093 176.300 -0.052 0.000 0.969 1051 R CA -0.744 55.293 56.100 -0.105 0.000 0.879 1051 R CB 2.157 32.380 30.300 -0.129 0.000 1.178 1051 R HN 0.583 nan 8.270 nan 0.000 0.445 1052 I N 2.866 123.406 120.570 -0.050 0.000 2.315 1052 I HA 0.217 4.387 4.170 0.000 0.000 0.291 1052 I C 0.157 176.282 176.117 0.013 0.000 1.006 1052 I CA 0.104 61.427 61.300 0.039 0.000 1.265 1052 I CB 1.094 39.169 38.000 0.126 0.000 1.387 1052 I HN 0.730 nan 8.210 nan 0.000 0.475 1053 T N 1.738 116.308 114.554 0.027 0.000 2.897 1053 T HA 0.351 4.701 4.350 0.000 0.000 0.278 1053 T C 0.673 175.409 174.700 0.061 0.000 0.981 1053 T CA -0.361 61.739 62.100 -0.000 0.000 0.973 1053 T CB 1.388 70.253 68.868 -0.005 0.000 1.092 1053 T HN 0.611 nan 8.240 nan 0.000 0.543 1054 S N -0.011 115.715 115.700 0.044 0.000 3.521 1054 S HA -0.114 4.356 4.470 0.000 0.000 0.362 1054 S C -0.076 174.604 174.600 0.134 0.000 1.044 1054 S CA 0.408 58.652 58.200 0.073 0.000 1.091 1054 S CB -1.973 61.255 63.200 0.047 0.000 0.908 1054 S HN 0.612 nan 8.310 nan 0.000 0.473 1055 L N 0.531 121.899 121.223 0.241 0.000 2.323 1055 L HA 0.513 4.853 4.340 0.000 0.000 0.265 1055 L C 0.362 177.462 176.870 0.382 0.000 1.012 1055 L CA -1.145 53.887 54.840 0.319 0.000 0.820 1055 L CB 0.925 43.226 42.059 0.403 0.000 1.334 1055 L HN 0.075 nan 8.230 nan 0.000 0.427 1056 D N 2.958 123.474 120.400 0.195 0.000 2.493 1056 D HA -0.007 4.633 4.640 0.000 0.000 0.240 1056 D C -1.549 174.846 176.300 0.159 0.000 1.142 1056 D CA -1.289 52.789 54.000 0.131 0.000 0.872 1056 D CB 1.206 42.030 40.800 0.040 0.000 1.173 1056 D HN 0.192 nan 8.370 nan 0.000 0.467 1057 P HA -0.188 nan 4.420 nan 0.000 0.219 1057 P C -0.084 177.297 177.300 0.135 0.000 1.158 1057 P CA 1.540 64.831 63.100 0.317 0.000 0.895 1057 P CB -0.070 31.749 31.700 0.198 0.000 0.792 1058 A N -0.395 122.411 122.820 -0.024 0.000 2.444 1058 A HA 0.604 4.924 4.320 0.000 0.000 0.332 1058 A C 0.182 177.639 177.584 -0.211 0.000 1.430 1058 A CA -0.340 51.599 52.037 -0.164 0.000 0.975 1058 A CB -0.198 18.731 19.000 -0.119 0.000 1.147 1058 A HN 0.238 nan 8.150 nan 0.000 0.524 1059 A N 2.104 124.713 122.820 -0.351 0.000 2.305 1059 A HA 0.625 4.945 4.320 0.000 0.000 0.322 1059 A C -0.313 177.176 177.584 -0.157 0.000 1.187 1059 A CA -0.397 51.470 52.037 -0.284 0.000 0.825 1059 A CB 0.885 19.562 19.000 -0.539 0.000 1.164 1059 A HN 0.916 nan 8.150 nan 0.000 0.498 1060 V N 4.302 124.165 119.914 -0.084 0.000 2.259 1060 V HA 0.137 4.257 4.120 0.000 0.000 0.267 1060 V C 0.166 176.263 176.094 0.005 0.000 1.051 1060 V CA -0.034 62.241 62.300 -0.042 0.000 0.830 1060 V CB 0.376 32.174 31.823 -0.041 0.000 1.080 1060 V HN 0.746 nan 8.190 nan 0.000 0.467 1061 L N 4.410 125.653 121.223 0.034 0.000 2.530 1061 L HA 0.065 4.405 4.340 0.000 0.000 0.247 1061 L C 1.207 178.110 176.870 0.054 0.000 1.416 1061 L CA -0.047 54.835 54.840 0.070 0.000 1.202 1061 L CB -0.310 41.822 42.059 0.122 0.000 1.415 1061 L HN 0.758 nan 8.230 nan 0.000 0.443 1062 S N 0.108 115.833 115.700 0.042 0.000 3.399 1062 S HA 0.145 4.615 4.470 0.000 0.000 0.267 1062 S C 0.082 174.731 174.600 0.080 0.000 1.088 1062 S CA -0.706 57.511 58.200 0.028 0.000 1.306 1062 S CB -0.725 62.448 63.200 -0.045 0.000 1.601 1062 S HN 0.187 nan 8.310 nan 0.000 0.558 1063 V N 4.314 124.268 119.914 0.066 0.000 2.370 1063 V HA 0.514 4.634 4.120 0.000 0.000 0.279 1063 V C 0.056 176.229 176.094 0.132 0.000 1.029 1063 V CA -0.661 61.698 62.300 0.098 0.000 0.870 1063 V CB 0.850 32.673 31.823 0.000 0.000 0.984 1063 V HN 0.930 nan 8.190 nan 0.000 0.451 1064 Q N 2.601 122.549 119.800 0.246 0.000 2.456 1064 Q HA 0.540 4.880 4.340 0.000 0.000 0.283 1064 Q C -0.888 175.345 176.000 0.389 0.000 1.084 1064 Q CA -0.886 55.102 55.803 0.308 0.000 0.801 1064 Q CB 2.325 31.168 28.738 0.175 0.000 1.434 1064 Q HN 0.668 nan 8.270 nan 0.000 0.419 1065 H N 2.366 121.591 119.070 0.259 0.000 2.360 1065 H HA 0.286 4.842 4.556 0.000 0.000 0.233 1065 H C -1.004 174.347 175.328 0.038 0.000 1.473 1065 H CA -0.445 55.621 56.048 0.030 0.000 1.352 1065 H CB -0.267 29.383 29.762 -0.186 0.000 1.493 1065 H HN 0.865 nan 8.280 nan 0.000 0.533 1066 N N 1.982 120.765 118.700 0.139 0.000 2.573 1066 N HA -0.203 4.537 4.740 0.000 0.000 0.280 1066 N C 1.286 176.882 175.510 0.143 0.000 1.187 1066 N CA 1.352 54.484 53.050 0.136 0.000 0.717 1066 N CB -1.158 37.417 38.487 0.146 0.000 0.899 1066 N HN 0.933 nan 8.380 nan 0.000 0.546 1067 G N -1.689 107.185 108.800 0.123 0.000 2.435 1067 G HA2 -0.383 3.577 3.960 0.000 0.000 0.245 1067 G HA3 -0.383 3.577 3.960 0.000 0.000 0.245 1067 G C 0.294 175.258 174.900 0.108 0.000 1.073 1067 G CA 0.163 45.323 45.100 0.101 0.000 0.638 1067 G HN 0.957 nan 8.290 nan 0.000 0.521 1068 V N 2.072 122.072 119.914 0.143 0.000 2.427 1068 V HA 0.266 4.386 4.120 0.000 0.000 0.240 1068 V C 0.870 177.071 176.094 0.179 0.000 1.128 1068 V CA 1.030 63.422 62.300 0.153 0.000 1.262 1068 V CB 0.221 32.133 31.823 0.150 0.000 1.277 1068 V HN 0.477 nan 8.190 nan 0.000 0.482 1069 E N 3.515 123.781 120.200 0.109 0.000 1.858 1069 E HA 0.168 4.519 4.350 0.000 0.000 0.267 1069 E C 0.744 177.372 176.600 0.046 0.000 1.215 1069 E CA -0.020 56.429 56.400 0.081 0.000 0.952 1069 E CB 0.833 30.560 29.700 0.045 0.000 1.058 1069 E HN 0.435 nan 8.360 nan 0.000 0.407 1070 V N 4.246 124.179 119.914 0.031 0.000 2.302 1070 V HA -0.057 4.063 4.120 0.000 0.000 0.243 1070 V C 0.960 176.980 176.094 -0.123 0.000 1.036 1070 V CA 1.025 63.272 62.300 -0.088 0.000 1.020 1070 V CB -0.169 31.492 31.823 -0.270 0.000 0.657 1070 V HN 0.556 nan 8.190 nan 0.000 0.453 1071 I N 0.630 121.115 120.570 -0.141 0.000 2.428 1071 I HA 0.412 4.582 4.170 0.000 0.000 0.279 1071 I C 1.233 177.320 176.117 -0.050 0.000 1.040 1071 I CA 0.002 61.211 61.300 -0.152 0.000 1.171 1071 I CB 1.277 39.083 38.000 -0.323 0.000 1.312 1071 I HN 0.120 nan 8.210 nan 0.000 0.470 1072 G N 3.316 112.105 108.800 -0.018 0.000 2.712 1072 G HA2 0.347 4.307 3.960 0.000 0.000 0.212 1072 G HA3 0.347 4.307 3.960 0.000 0.000 0.212 1072 G C 1.042 175.954 174.900 0.021 0.000 1.142 1072 G CA 0.587 45.689 45.100 0.003 0.000 0.789 1072 G HN 0.899 nan 8.290 nan 0.000 0.535 1073 G N 0.327 109.157 108.800 0.049 0.000 2.557 1073 G HA2 -0.381 3.579 3.960 0.000 0.000 0.292 1073 G HA3 -0.381 3.579 3.960 0.000 0.000 0.292 1073 G C 1.602 176.550 174.900 0.079 0.000 1.162 1073 G CA 1.802 46.964 45.100 0.104 0.000 0.964 1073 G HN 1.050 nan 8.290 nan 0.000 0.541 1074 T N 0.385 114.953 114.554 0.024 0.000 2.685 1074 T HA -0.020 4.330 4.350 0.000 0.000 0.268 1074 T C -0.582 174.104 174.700 -0.024 0.000 1.034 1074 T CA 1.883 63.957 62.100 -0.043 0.000 1.149 1074 T CB -1.440 67.348 68.868 -0.133 0.000 0.860 1074 T HN 0.573 nan 8.240 nan 0.000 0.449 1075 P HA 0.298 nan 4.420 nan 0.000 0.238 1075 P C 1.000 178.303 177.300 0.005 0.000 1.729 1075 P CA -0.008 63.087 63.100 -0.008 0.000 1.055 1075 P CB -0.371 31.323 31.700 -0.010 0.000 1.980 1076 G N 2.208 111.014 108.800 0.011 0.000 2.708 1076 G HA2 -0.212 3.748 3.960 0.000 0.000 0.210 1076 G HA3 -0.212 3.748 3.960 0.000 0.000 0.210 1076 G C 1.103 176.014 174.900 0.018 0.000 1.141 1076 G CA -0.110 45.002 45.100 0.019 0.000 0.788 1076 G HN 0.484 nan 8.290 nan 0.000 0.531 1077 N N 0.635 119.342 118.700 0.012 0.000 2.627 1077 N HA -0.060 4.680 4.740 0.000 0.000 0.196 1077 N C 1.439 176.974 175.510 0.043 0.000 1.268 1077 N CA 1.169 54.228 53.050 0.015 0.000 0.904 1077 N CB 0.152 38.642 38.487 0.004 0.000 1.016 1077 N HN 0.404 nan 8.380 nan 0.000 0.448 1078 V N -3.697 116.244 119.914 0.046 0.000 3.548 1078 V HA 0.334 4.454 4.120 0.000 0.000 0.279 1078 V C 0.798 176.922 176.094 0.050 0.000 1.446 1078 V CA -0.444 61.886 62.300 0.051 0.000 1.023 1078 V CB -0.381 31.459 31.823 0.027 0.000 0.820 1078 V HN -0.091 nan 8.190 nan 0.000 0.438 1079 I N 4.040 124.642 120.570 0.054 0.000 3.051 1079 I HA -0.016 4.154 4.170 0.000 0.000 0.290 1079 I C 1.588 177.763 176.117 0.097 0.000 1.166 1079 I CA 1.404 62.731 61.300 0.045 0.000 1.479 1079 I CB 0.449 38.473 38.000 0.041 0.000 1.505 1079 I HN 0.542 nan 8.210 nan 0.000 0.654 1080 S N 3.560 119.263 115.700 0.005 0.000 2.523 1080 S HA 0.188 4.658 4.470 0.000 0.000 0.217 1080 S C 0.631 175.180 174.600 -0.084 0.000 0.996 1080 S CA -0.350 57.819 58.200 -0.053 0.000 0.921 1080 S CB 0.038 63.200 63.200 -0.062 0.000 0.829 1080 S HN 0.301 nan 8.310 nan 0.000 0.495 1081 V N 2.795 122.658 119.914 -0.085 0.000 2.872 1081 V HA 0.556 4.676 4.120 0.000 0.000 0.307 1081 V C 0.546 176.616 176.094 -0.039 0.000 1.072 1081 V CA 0.016 62.261 62.300 -0.091 0.000 1.148 1081 V CB 0.675 32.412 31.823 -0.143 0.000 0.954 1081 V HN 0.594 nan 8.190 nan 0.000 0.490 1082 A N 5.485 128.291 122.820 -0.023 0.000 2.437 1082 A HA 0.700 5.020 4.320 0.000 0.000 0.303 1082 A C 0.660 178.262 177.584 0.031 0.000 1.324 1082 A CA 0.633 52.675 52.037 0.009 0.000 0.983 1082 A CB -0.770 18.238 19.000 0.014 0.000 1.142 1082 A HN 2.305 nan 8.150 nan 0.000 0.541 1083 G N 0.508 109.332 108.800 0.040 0.000 2.353 1083 G HA2 0.517 4.477 3.960 0.000 0.000 0.615 1083 G HA3 0.517 4.477 3.960 0.000 0.000 0.615 1083 G C -0.272 174.663 174.900 0.060 0.000 1.280 1083 G CA -0.268 44.865 45.100 0.055 0.000 1.000 1083 G HN 1.970 nan 8.290 nan 0.000 0.516 1084 A N -0.531 122.336 122.820 0.079 0.000 2.301 1084 A HA 0.972 5.292 4.320 0.000 0.000 0.298 1084 A C 0.562 178.233 177.584 0.145 0.000 1.185 1084 A CA 0.907 52.998 52.037 0.089 0.000 0.830 1084 A CB 0.809 19.852 19.000 0.072 0.000 1.112 1084 A HN 2.489 nan 8.150 nan 0.000 0.508 1085 A N 1.601 124.515 122.820 0.157 0.000 2.356 1085 A HA 0.825 5.145 4.320 0.000 0.000 0.310 1085 A C -0.178 177.511 177.584 0.175 0.000 1.075 1085 A CA 0.088 52.291 52.037 0.277 0.000 0.746 1085 A CB 1.265 20.425 19.000 0.266 0.000 1.221 1085 A HN 2.236 nan 8.150 nan 0.000 0.443 1086 A N 1.966 124.862 122.820 0.128 0.000 2.393 1086 A HA 0.781 5.101 4.320 0.000 0.000 0.306 1086 A C -1.243 176.344 177.584 0.004 0.000 1.050 1086 A CA -0.402 51.663 52.037 0.047 0.000 0.724 1086 A CB 0.922 19.920 19.000 -0.004 0.000 1.248 1086 A HN 0.931 nan 8.150 nan 0.000 0.424 1087 L N 2.147 123.391 121.223 0.035 0.000 2.471 1087 L HA 0.451 4.791 4.340 0.000 0.000 0.263 1087 L C -1.001 175.795 176.870 -0.124 0.000 0.985 1087 L CA -0.362 54.465 54.840 -0.021 0.000 0.868 1087 L CB 1.788 43.943 42.059 0.161 0.000 1.203 1087 L HN 0.693 nan 8.230 nan 0.000 0.429 1088 Q N 2.397 122.038 119.800 -0.266 0.000 2.341 1088 Q HA 0.442 4.782 4.340 0.000 0.000 0.268 1088 Q C -1.366 174.431 176.000 -0.338 0.000 1.013 1088 Q CA -0.452 55.230 55.803 -0.202 0.000 0.798 1088 Q CB 1.580 30.264 28.738 -0.090 0.000 1.253 1088 Q HN 0.266 nan 8.270 nan 0.000 0.457 1089 Y N 2.955 123.409 120.300 0.257 0.000 2.584 1089 Y HA 0.262 4.812 4.550 0.000 0.000 0.351 1089 Y C 0.192 176.191 175.900 0.166 0.000 1.030 1089 Y CA -0.392 57.959 58.100 0.418 0.000 1.332 1089 Y CB 0.003 38.707 38.460 0.406 0.000 1.148 1089 Y HN 0.472 nan 8.280 nan 0.000 0.528 1090 I N 5.253 125.804 120.570 -0.031 0.000 2.620 1090 I HA 0.068 4.238 4.170 0.000 0.000 0.280 1090 I C 0.980 177.084 176.117 -0.022 0.000 1.143 1090 I CA -0.411 60.840 61.300 -0.082 0.000 1.163 1090 I CB 0.558 38.437 38.000 -0.202 0.000 1.461 1090 I HN 0.606 nan 8.210 nan 0.000 0.530 1091 L N 4.861 126.150 121.223 0.109 0.000 2.054 1091 L HA -0.385 3.955 4.340 0.000 0.000 0.240 1091 L C 2.618 179.525 176.870 0.063 0.000 1.107 1091 L CA 2.844 57.753 54.840 0.115 0.000 0.833 1091 L CB -0.364 41.756 42.059 0.102 0.000 0.929 1091 L HN 0.615 nan 8.230 nan 0.000 0.447 1092 A N -1.343 121.495 122.820 0.030 0.000 1.958 1092 A HA -0.278 4.042 4.320 0.000 0.000 0.221 1092 A C 1.888 179.468 177.584 -0.006 0.000 1.178 1092 A CA 2.456 54.500 52.037 0.012 0.000 0.642 1092 A CB -0.992 18.011 19.000 0.006 0.000 0.816 1092 A HN 0.779 nan 8.150 nan 0.000 0.453 1093 N N -0.763 117.915 118.700 -0.036 0.000 2.353 1093 N HA 0.068 4.808 4.740 0.000 0.000 0.185 1093 N C -0.177 175.285 175.510 -0.079 0.000 1.098 1093 N CA 0.346 53.356 53.050 -0.066 0.000 0.872 1093 N CB 0.214 38.639 38.487 -0.103 0.000 0.970 1093 N HN 0.257 nan 8.380 nan 0.000 0.467 1094 Q N 0.005 119.778 119.800 -0.045 0.000 2.408 1094 Q HA -0.224 4.116 4.340 0.000 0.000 0.290 1094 Q C -1.005 174.895 176.000 -0.166 0.000 1.221 1094 Q CA 1.172 56.975 55.803 0.001 0.000 0.895 1094 Q CB -2.028 26.757 28.738 0.077 0.000 1.241 1094 Q HN 0.612 nan 8.270 nan 0.000 0.494 1095 E N -0.625 119.221 120.200 -0.589 0.000 2.288 1095 E HA 0.635 4.985 4.350 0.000 0.000 0.268 1095 E C -0.740 174.767 176.600 -1.822 0.000 0.885 1095 E CA -0.645 55.257 56.400 -0.830 0.000 0.767 1095 E CB 1.185 30.624 29.700 -0.436 0.000 1.220 1095 E HN 0.003 nan 8.360 nan 0.000 0.427 1096 F N 1.863 121.733 119.950 -0.132 0.000 2.460 1096 F HA 0.267 4.794 4.527 0.000 0.000 0.341 1096 F C -0.304 175.360 175.800 -0.227 0.000 1.130 1096 F CA -1.024 56.819 58.000 -0.261 0.000 0.962 1096 F CB 0.968 39.801 39.000 -0.278 0.000 1.171 1096 F HN 0.233 nan 8.300 nan 0.000 0.436 1097 L N 5.258 126.287 121.223 -0.323 0.000 2.410 1097 L HA 0.362 4.702 4.340 0.000 0.000 0.273 1097 L C -0.863 175.840 176.870 -0.279 0.000 1.144 1097 L CA 0.061 54.750 54.840 -0.253 0.000 0.863 1097 L CB 0.186 42.119 42.059 -0.209 0.000 1.140 1097 L HN 0.492 nan 8.230 nan 0.000 0.463 1098 L N 6.156 127.151 121.223 -0.379 0.000 2.318 1098 L HA 0.444 4.784 4.340 0.000 0.000 0.277 1098 L C -0.384 176.004 176.870 -0.804 0.000 1.008 1098 L CA -0.358 54.018 54.840 -0.774 0.000 0.846 1098 L CB 1.206 42.737 42.059 -0.880 0.000 1.220 1098 L HN 0.621 nan 8.230 nan 0.000 0.423 1099 Q N 3.869 123.266 119.800 -0.672 0.000 2.400 1099 Q HA 0.553 4.893 4.340 0.000 0.000 0.255 1099 Q C -1.314 174.545 176.000 -0.235 0.000 1.008 1099 Q CA -0.115 55.462 55.803 -0.377 0.000 0.841 1099 Q CB 1.454 30.099 28.738 -0.155 0.000 1.220 1099 Q HN 0.430 nan 8.270 nan 0.000 0.474 1100 F N 0.038 119.980 119.950 -0.012 0.000 2.546 1100 F HA 0.412 4.939 4.527 0.000 0.000 0.320 1100 F C 0.481 176.310 175.800 0.049 0.000 1.076 1100 F CA -1.302 56.689 58.000 -0.016 0.000 0.928 1100 F CB 2.045 40.989 39.000 -0.093 0.000 1.189 1100 F HN 0.162 nan 8.300 nan 0.000 0.465 1101 T N 3.504 118.201 114.554 0.238 0.000 2.737 1101 T HA 0.192 4.542 4.350 0.000 0.000 0.296 1101 T C -2.557 172.252 174.700 0.181 0.000 0.922 1101 T CA -1.246 60.956 62.100 0.170 0.000 1.079 1101 T CB 0.587 69.526 68.868 0.119 0.000 0.892 1101 T HN 0.124 nan 8.240 nan 0.000 0.514 1102 P HA 0.113 nan 4.420 nan 0.000 0.263 1102 P C 0.530 177.905 177.300 0.124 0.000 1.276 1102 P CA 0.058 63.261 63.100 0.172 0.000 0.986 1102 P CB 0.119 31.916 31.700 0.161 0.000 1.105 1103 T N 1.372 115.991 114.554 0.110 0.000 2.312 1103 T HA 0.323 4.673 4.350 0.000 0.000 0.175 1103 T C 0.540 175.259 174.700 0.030 0.000 0.727 1103 T CA -0.429 61.712 62.100 0.068 0.000 1.333 1103 T CB -0.771 68.135 68.868 0.063 0.000 2.928 1103 T HN 0.108 nan 8.240 nan 0.000 0.403 1104 L N 1.615 122.858 121.223 0.032 0.000 2.490 1104 L HA 0.497 4.837 4.340 0.000 0.000 0.274 1104 L C -2.894 173.965 176.870 -0.018 0.000 1.201 1104 L CA -1.721 53.121 54.840 0.003 0.000 0.869 1104 L CB -0.965 41.121 42.059 0.044 0.000 1.123 1104 L HN 0.123 nan 8.230 nan 0.000 0.484 1105 P HA 0.375 nan 4.420 nan 0.000 0.271 1105 P C 0.001 177.285 177.300 -0.027 0.000 1.226 1105 P CA 0.190 63.062 63.100 -0.379 0.000 0.765 1105 P CB 1.049 32.431 31.700 -0.529 0.000 0.835 1106 G N 2.409 111.307 108.800 0.162 0.000 2.658 1106 G HA2 0.467 4.427 3.960 0.000 0.000 0.301 1106 G HA3 0.467 4.427 3.960 0.000 0.000 0.301 1106 G C -1.707 173.260 174.900 0.113 0.000 1.481 1106 G CA -0.479 44.740 45.100 0.198 0.000 0.931 1106 G HN 0.262 nan 8.290 nan 0.000 0.573 1107 I N 1.968 122.392 120.570 -0.242 0.000 2.464 1107 I HA 0.379 4.549 4.170 0.000 0.000 0.277 1107 I C -0.815 175.012 176.117 -0.482 0.000 1.040 1107 I CA -0.441 60.742 61.300 -0.195 0.000 1.153 1107 I CB 0.749 38.693 38.000 -0.095 0.000 1.274 1107 I HN 0.286 nan 8.210 nan 0.000 0.469 1108 F N 4.531 124.570 119.950 0.149 0.000 2.411 1108 F HA 0.274 4.801 4.527 0.000 0.000 0.350 1108 F C 0.880 176.771 175.800 0.151 0.000 1.114 1108 F CA -0.887 57.194 58.000 0.135 0.000 1.135 1108 F CB 0.647 39.748 39.000 0.167 0.000 1.120 1108 F HN 0.461 nan 8.300 nan 0.000 0.495 1109 D N 3.326 123.846 120.400 0.200 0.000 2.295 1109 D HA 0.301 4.941 4.640 0.000 0.000 0.248 1109 D C -0.746 175.699 176.300 0.241 0.000 1.154 1109 D CA -0.157 53.962 54.000 0.198 0.000 0.857 1109 D CB 1.719 42.604 40.800 0.142 0.000 1.117 1109 D HN 0.205 nan 8.370 nan 0.000 0.468 1110 V N 2.923 122.983 119.914 0.244 0.000 2.513 1110 V HA 0.473 4.593 4.120 0.000 0.000 0.299 1110 V C -0.523 175.754 176.094 0.304 0.000 1.035 1110 V CA -0.906 61.546 62.300 0.253 0.000 0.889 1110 V CB 1.252 33.213 31.823 0.230 0.000 0.988 1110 V HN 0.531 nan 8.190 nan 0.000 0.440 1111 F N 3.338 123.342 119.950 0.091 0.000 2.561 1111 F HA 0.703 5.230 4.527 0.000 0.000 0.321 1111 F C -0.440 175.399 175.800 0.066 0.000 1.065 1111 F CA -1.045 56.999 58.000 0.073 0.000 0.934 1111 F CB 1.808 40.850 39.000 0.069 0.000 1.215 1111 F HN 0.280 nan 8.300 nan 0.000 0.471 1112 L N 2.989 124.403 121.223 0.318 0.000 2.418 1112 L HA 0.230 4.570 4.340 0.000 0.000 0.274 1112 L C 0.356 177.369 176.870 0.238 0.000 1.135 1112 L CA 0.560 55.517 54.840 0.194 0.000 0.870 1112 L CB 0.534 42.615 42.059 0.036 0.000 1.154 1112 L HN 0.572 nan 8.230 nan 0.000 0.462 1113 T N 2.975 117.624 114.554 0.157 0.000 2.758 1113 T HA 0.700 5.050 4.350 0.000 0.000 0.285 1113 T C -0.605 174.134 174.700 0.066 0.000 0.981 1113 T CA -0.210 61.951 62.100 0.101 0.000 0.965 1113 T CB 0.163 69.063 68.868 0.053 0.000 0.927 1113 T HN 0.667 nan 8.240 nan 0.000 0.448 1114 T N 5.497 120.086 114.554 0.060 0.000 3.767 1114 T HA 0.300 4.650 4.350 0.000 0.000 0.360 1114 T C 0.771 175.495 174.700 0.041 0.000 1.181 1114 T CA -0.705 61.421 62.100 0.044 0.000 1.110 1114 T CB 0.961 69.860 68.868 0.051 0.000 1.201 1114 T HN 0.718 nan 8.240 nan 0.000 0.474 1115 L N 1.645 122.883 121.223 0.025 0.000 3.799 1115 L HA -0.365 3.976 4.340 0.000 0.000 0.053 1115 L C 2.509 179.396 176.870 0.030 0.000 3.965 1115 L CA 2.036 56.890 54.840 0.023 0.000 1.118 1115 L CB -1.445 40.627 42.059 0.022 0.000 3.270 1115 L HN 0.841 nan 8.230 nan 0.000 0.734 1116 G N -1.072 107.750 108.800 0.036 0.000 2.559 1116 G HA2 -0.081 3.879 3.960 0.000 0.000 0.216 1116 G HA3 -0.081 3.879 3.960 0.000 0.000 0.216 1116 G C 0.323 175.258 174.900 0.059 0.000 1.126 1116 G CA 0.634 45.759 45.100 0.041 0.000 0.778 1116 G HN 0.578 nan 8.290 nan 0.000 0.543 1117 Q N -0.426 119.421 119.800 0.079 0.000 2.448 1117 Q HA -0.121 4.219 4.340 0.000 0.000 0.357 1117 Q C -2.347 173.767 176.000 0.189 0.000 1.443 1117 Q CA 0.626 56.508 55.803 0.132 0.000 0.996 1117 Q CB -1.695 27.105 28.738 0.104 0.000 1.180 1117 Q HN 0.398 nan 8.270 nan 0.000 0.338 1118 P HA 0.196 nan 4.420 nan 0.000 0.279 1118 P C -2.191 175.207 177.300 0.164 0.000 1.239 1118 P CA -1.237 61.938 63.100 0.124 0.000 0.789 1118 P CB 0.296 32.023 31.700 0.045 0.000 0.933 1119 P HA 0.006 nan 4.420 nan 0.000 0.257 1119 P C -0.713 176.419 177.300 -0.280 0.000 1.269 1119 P CA 0.714 63.880 63.100 0.110 0.000 1.122 1119 P CB 0.186 32.020 31.700 0.222 0.000 1.285 1120 V N 6.148 125.499 119.914 -0.939 0.000 2.882 1120 V HA 0.434 4.554 4.120 0.000 0.000 0.295 1120 V C -2.655 172.804 176.094 -1.058 0.000 1.273 1120 V CA -1.865 60.011 62.300 -0.707 0.000 0.949 1120 V CB 3.209 34.826 31.823 -0.343 0.000 1.071 1120 V HN 0.289 nan 8.190 nan 0.000 0.432 1121 P HA 0.533 nan 4.420 nan 0.000 0.285 1121 P C -0.333 176.903 177.300 -0.107 0.000 1.280 1121 P CA -0.585 62.377 63.100 -0.230 0.000 0.862 1121 P CB 2.300 33.997 31.700 -0.005 0.000 1.153 1122 R N 0.115 120.610 120.500 -0.007 0.000 2.167 1122 R HA 0.399 4.739 4.340 0.000 0.000 0.201 1122 R C 0.763 177.070 176.300 0.012 0.000 1.024 1122 R CA 0.950 57.055 56.100 0.008 0.000 1.053 1122 R CB 0.060 30.392 30.300 0.054 0.000 0.987 1122 R HN 0.813 nan 8.270 nan 0.000 0.493 1123 G N -0.620 108.216 108.800 0.060 0.000 2.350 1123 G HA2 -0.026 3.934 3.960 0.000 0.000 0.282 1123 G HA3 -0.026 3.934 3.960 0.000 0.000 0.282 1123 G C -1.557 173.425 174.900 0.137 0.000 1.314 1123 G CA -0.267 44.868 45.100 0.058 0.000 0.915 1123 G HN 0.190 nan 8.290 nan 0.000 0.499 1124 S N -0.857 114.926 115.700 0.138 0.000 2.449 1124 S HA 0.748 5.218 4.470 0.000 0.000 0.310 1124 S C -1.005 173.764 174.600 0.283 0.000 1.096 1124 S CA -0.568 57.758 58.200 0.209 0.000 1.095 1124 S CB 1.521 64.830 63.200 0.182 0.000 1.007 1124 S HN 1.342 nan 8.310 nan 0.000 0.474 1125 F N 3.612 123.704 119.950 0.237 0.000 2.427 1125 F HA 0.551 5.078 4.527 0.000 0.000 0.346 1125 F C 0.341 176.349 175.800 0.346 0.000 1.120 1125 F CA -0.372 57.797 58.000 0.282 0.000 1.033 1125 F CB 1.709 40.892 39.000 0.305 0.000 1.126 1125 F HN 0.773 nan 8.300 nan 0.000 0.462 1126 T N 6.037 120.596 114.554 0.007 0.000 2.743 1126 T HA 0.537 4.887 4.350 0.000 0.000 0.292 1126 T C -0.399 174.495 174.700 0.324 0.000 0.972 1126 T CA -0.830 61.386 62.100 0.193 0.000 0.967 1126 T CB 0.562 69.418 68.868 -0.020 0.000 0.926 1126 T HN 0.327 nan 8.240 nan 0.000 0.459 1127 I N 4.404 125.305 120.570 0.551 0.000 2.440 1127 I HA 0.384 4.554 4.170 0.000 0.000 0.294 1127 I C 0.896 177.223 176.117 0.350 0.000 0.995 1127 I CA -0.488 61.087 61.300 0.459 0.000 1.306 1127 I CB 1.287 39.543 38.000 0.427 0.000 1.407 1127 I HN 0.896 nan 8.210 nan 0.000 0.501 1128 T N 3.667 118.377 114.554 0.260 0.000 2.824 1128 T HA 0.539 4.889 4.350 0.000 0.000 0.282 1128 T C -2.739 172.007 174.700 0.077 0.000 0.993 1128 T CA -2.281 59.938 62.100 0.200 0.000 0.967 1128 T CB 1.712 70.727 68.868 0.245 0.000 0.960 1128 T HN 0.176 nan 8.240 nan 0.000 0.441 1129 P HA 0.238 nan 4.420 nan 0.000 0.268 1129 P C -2.309 175.000 177.300 0.015 0.000 1.205 1129 P CA -0.910 62.170 63.100 -0.034 0.000 0.771 1129 P CB -0.178 31.474 31.700 -0.080 0.000 0.858 1130 P HA 0.271 nan 4.420 nan 0.000 0.279 1130 P C -2.576 174.729 177.300 0.008 0.000 1.239 1130 P CA -2.080 61.029 63.100 0.016 0.000 0.789 1130 P CB -0.467 31.230 31.700 -0.006 0.000 0.933 1131 P HA 0.167 nan 4.420 nan 0.000 0.268 1131 P C -0.562 176.772 177.300 0.057 0.000 1.282 1131 P CA 0.407 63.535 63.100 0.046 0.000 0.880 1131 P CB -0.271 31.464 31.700 0.059 0.000 0.971 1132 T N 2.801 117.369 114.554 0.024 0.000 2.929 1132 T HA 0.371 4.721 4.350 0.000 0.000 0.331 1132 T C 0.177 174.920 174.700 0.071 0.000 1.120 1132 T CA -0.453 61.671 62.100 0.041 0.000 0.973 1132 T CB 0.066 68.880 68.868 -0.089 0.000 1.036 1132 T HN 0.289 nan 8.240 nan 0.000 0.502 1133 T N 0.173 114.773 114.554 0.076 0.000 2.823 1133 T HA 0.696 5.046 4.350 0.000 0.000 0.279 1133 T C -0.383 174.355 174.700 0.063 0.000 0.998 1133 T CA -0.874 61.276 62.100 0.083 0.000 0.994 1133 T CB 1.828 70.738 68.868 0.071 0.000 0.960 1133 T HN 0.294 nan 8.240 nan 0.000 0.448 1134 V N 1.935 121.911 119.914 0.103 0.000 2.407 1134 V HA 0.768 4.888 4.120 0.000 0.000 0.291 1134 V C -0.697 175.385 176.094 -0.021 0.000 1.018 1134 V CA -0.599 61.734 62.300 0.055 0.000 0.842 1134 V CB 0.835 32.749 31.823 0.152 0.000 0.996 1134 V HN 1.350 nan 8.190 nan 0.000 0.426 1135 A N 6.627 129.319 122.820 -0.212 0.000 2.353 1135 A HA 0.751 5.071 4.320 0.000 0.000 0.299 1135 A C -1.004 176.248 177.584 -0.552 0.000 1.089 1135 A CA -0.579 51.139 52.037 -0.531 0.000 0.736 1135 A CB 1.333 20.177 19.000 -0.260 0.000 1.195 1135 A HN 0.910 nan 8.150 nan 0.000 0.447 1136 L N 3.081 123.733 121.223 -0.951 0.000 2.410 1136 L HA 0.242 4.582 4.340 0.000 0.000 0.273 1136 L C -0.332 176.356 176.870 -0.304 0.000 1.152 1136 L CA 0.160 54.698 54.840 -0.503 0.000 0.855 1136 L CB 0.461 42.298 42.059 -0.369 0.000 1.129 1136 L HN 0.733 nan 8.230 nan 0.000 0.463 1137 N N 5.034 123.630 118.700 -0.173 0.000 2.370 1137 N HA 0.408 5.148 4.740 0.000 0.000 0.303 1137 N C -0.630 174.835 175.510 -0.074 0.000 1.103 1137 N CA -0.746 52.243 53.050 -0.103 0.000 0.848 1137 N CB 1.577 40.019 38.487 -0.076 0.000 1.235 1137 N HN 0.469 nan 8.380 nan 0.000 0.496 1138 M N 1.240 120.809 119.600 -0.052 0.000 2.248 1138 M HA 0.201 4.681 4.480 0.000 0.000 0.337 1138 M C -2.066 174.212 176.300 -0.037 0.000 1.121 1138 M CA -1.117 54.158 55.300 -0.042 0.000 1.155 1138 M CB -0.408 32.175 32.600 -0.029 0.000 1.514 1138 M HN 0.063 nan 8.290 nan 0.000 0.452 1139 P HA 0.098 nan 4.420 nan 0.000 0.266 1139 P C -1.988 175.301 177.300 -0.018 0.000 1.215 1139 P CA -0.736 62.343 63.100 -0.034 0.000 0.763 1139 P CB -0.041 31.625 31.700 -0.057 0.000 0.806 1140 P HA -0.052 nan 4.420 nan 0.000 0.214 1140 P C -1.612 175.690 177.300 0.003 0.000 1.163 1140 P CA 1.505 64.606 63.100 0.001 0.000 0.883 1140 P CB -1.643 30.061 31.700 0.008 0.000 0.788 1141 P HA 0.200 nan 4.420 nan 0.000 0.276 1141 P C -0.117 177.183 177.300 -0.001 0.000 1.230 1141 P CA -0.148 62.956 63.100 0.006 0.000 0.776 1141 P CB 0.402 32.111 31.700 0.014 0.000 0.888 1142 R N 1.078 121.578 120.500 0.000 0.000 2.808 1142 R HA 0.006 4.346 4.340 0.000 0.000 0.215 1142 R C 0.414 176.714 176.300 -0.001 0.000 1.569 1142 R CA 0.564 56.663 56.100 -0.002 0.000 1.396 1142 R CB -0.659 29.642 30.300 0.001 0.000 1.048 1142 R HN 0.382 nan 8.270 nan 0.000 0.501 1143 Q N 0.321 120.119 119.800 -0.002 0.000 2.353 1143 Q HA 0.253 4.593 4.340 0.000 0.000 0.268 1143 Q C -1.091 174.903 176.000 -0.011 0.000 1.045 1143 Q CA -0.964 54.841 55.803 0.002 0.000 0.811 1143 Q CB 2.276 31.021 28.738 0.013 0.000 1.305 1143 Q HN 0.144 nan 8.270 nan 0.000 0.447 1144 L N 3.485 124.703 121.223 -0.008 0.000 2.315 1144 L HA 0.208 4.548 4.340 0.000 0.000 0.278 1144 L C 0.136 176.998 176.870 -0.013 0.000 1.088 1144 L CA 0.107 54.925 54.840 -0.036 0.000 0.899 1144 L CB 0.313 42.349 42.059 -0.039 0.000 1.277 1144 L HN 0.443 nan 8.230 nan 0.000 0.431 1145 D N 4.184 124.563 120.400 -0.034 0.000 2.671 1145 D HA -0.091 4.549 4.640 0.000 0.000 0.228 1145 D C 0.465 176.771 176.300 0.010 0.000 1.102 1145 D CA 0.011 54.014 54.000 0.006 0.000 1.044 1145 D CB -0.032 40.781 40.800 0.022 0.000 1.113 1145 D HN 0.511 nan 8.370 nan 0.000 0.480 1146 F N 1.993 121.930 119.950 -0.021 0.000 2.763 1146 F HA -0.042 4.485 4.527 0.000 0.000 0.309 1146 F C 1.235 177.018 175.800 -0.028 0.000 1.267 1146 F CA -0.192 57.787 58.000 -0.035 0.000 1.417 1146 F CB 0.080 39.048 39.000 -0.052 0.000 1.223 1146 F HN 0.129 nan 8.300 nan 0.000 0.539 1147 T N -4.633 110.037 114.554 0.192 0.000 2.678 1147 T HA 0.222 4.572 4.350 0.000 0.000 0.260 1147 T C 0.789 175.537 174.700 0.081 0.000 0.932 1147 T CA -0.415 61.758 62.100 0.123 0.000 1.043 1147 T CB 0.861 69.777 68.868 0.079 0.000 1.413 1147 T HN 0.020 nan 8.240 nan 0.000 0.568 1148 D N 0.135 120.566 120.400 0.051 0.000 2.219 1148 D HA -0.012 4.628 4.640 0.000 0.000 0.205 1148 D C 2.044 178.366 176.300 0.037 0.000 0.970 1148 D CA 0.831 54.848 54.000 0.028 0.000 0.851 1148 D CB -0.289 40.524 40.800 0.021 0.000 0.943 1148 D HN 0.323 nan 8.370 nan 0.000 0.488 1149 V N 0.084 120.038 119.914 0.067 0.000 2.548 1149 V HA 0.065 4.185 4.120 0.000 0.000 0.249 1149 V C 1.728 177.931 176.094 0.181 0.000 1.055 1149 V CA 0.904 63.282 62.300 0.130 0.000 1.065 1149 V CB -1.416 30.476 31.823 0.114 0.000 0.681 1149 V HN 0.389 nan 8.190 nan 0.000 0.462 1150 G N 1.909 110.743 108.800 0.058 0.000 2.591 1150 G HA2 -0.292 3.668 3.960 0.000 0.000 0.278 1150 G HA3 -0.292 3.668 3.960 0.000 0.000 0.278 1150 G C -0.153 174.656 174.900 -0.151 0.000 1.293 1150 G CA 0.365 45.436 45.100 -0.049 0.000 0.930 1150 G HN 0.874 nan 8.290 nan 0.000 0.562 1151 N N -0.167 118.337 118.700 -0.326 0.000 2.242 1151 N HA 0.416 5.156 4.740 0.000 0.000 0.292 1151 N C -1.597 173.614 175.510 -0.498 0.000 1.125 1151 N CA -0.554 52.239 53.050 -0.427 0.000 0.783 1151 N CB 2.342 40.740 38.487 -0.149 0.000 1.558 1151 N HN 0.540 nan 8.380 nan 0.000 0.472 1152 D N 1.144 121.340 120.400 -0.340 0.000 2.422 1152 D HA 0.151 4.791 4.640 0.000 0.000 0.263 1152 D C -0.344 175.932 176.300 -0.041 0.000 1.334 1152 D CA -0.046 53.911 54.000 -0.072 0.000 1.105 1152 D CB -0.232 40.678 40.800 0.183 0.000 1.107 1152 D HN 0.600 nan 8.370 nan 0.000 0.522 1153 A N 5.063 127.849 122.820 -0.057 0.000 3.000 1153 A HA 0.280 4.600 4.320 0.000 0.000 0.315 1153 A C 0.752 178.317 177.584 -0.031 0.000 1.434 1153 A CA -0.649 51.356 52.037 -0.054 0.000 1.108 1153 A CB -0.060 18.889 19.000 -0.085 0.000 1.171 1153 A HN 0.516 nan 8.150 nan 0.000 0.524 1154 R N -0.007 120.480 120.500 -0.022 0.000 2.767 1154 R HA 0.110 4.450 4.340 0.000 0.000 0.264 1154 R C -0.756 175.511 176.300 -0.055 0.000 0.987 1154 R CA 0.802 56.889 56.100 -0.023 0.000 1.114 1154 R CB 0.168 30.459 30.300 -0.016 0.000 0.976 1154 R HN 0.576 nan 8.270 nan 0.000 0.437 1155 I N 0.293 120.833 120.570 -0.051 0.000 2.509 1155 I HA 0.190 4.360 4.170 0.000 0.000 0.293 1155 I C -0.208 175.864 176.117 -0.076 0.000 1.020 1155 I CA -0.188 61.065 61.300 -0.078 0.000 1.088 1155 I CB 2.334 40.303 38.000 -0.052 0.000 1.267 1155 I HN 0.431 nan 8.210 nan 0.000 0.430 1156 T N 3.908 118.403 114.554 -0.099 0.000 2.947 1156 T HA 0.364 4.714 4.350 0.000 0.000 0.337 1156 T C -0.792 173.861 174.700 -0.079 0.000 1.139 1156 T CA -0.373 61.679 62.100 -0.079 0.000 0.992 1156 T CB 0.424 69.250 68.868 -0.069 0.000 1.043 1156 T HN 0.616 nan 8.240 nan 0.000 0.498 1157 C N 3.508 122.761 119.300 -0.079 0.000 2.498 1157 C HA 0.436 4.896 4.460 0.000 0.000 0.316 1157 C C -0.451 174.492 174.990 -0.078 0.000 1.209 1157 C CA -1.018 57.942 59.018 -0.096 0.000 1.518 1157 C CB 0.391 28.022 27.740 -0.182 0.000 2.147 1157 C HN 0.906 nan 8.230 nan 0.000 0.483 1158 D N 6.813 127.200 120.400 -0.021 0.000 2.434 1158 D HA 0.129 4.769 4.640 0.000 0.000 0.252 1158 D C -2.036 174.213 176.300 -0.085 0.000 1.185 1158 D CA -0.145 53.871 54.000 0.027 0.000 0.886 1158 D CB 0.603 41.523 40.800 0.200 0.000 1.148 1158 D HN 0.434 nan 8.370 nan 0.000 0.483 1159 P HA -0.073 nan 4.420 nan 0.000 0.252 1159 P C -0.821 176.080 177.300 -0.664 0.000 1.635 1159 P CA 0.505 63.373 63.100 -0.387 0.000 1.206 1159 P CB -0.168 31.362 31.700 -0.284 0.000 1.911 1160 Y N 1.531 121.752 120.300 -0.133 0.000 2.664 1160 Y HA 0.185 4.735 4.550 0.000 0.000 0.278 1160 Y C 0.719 176.689 175.900 0.116 0.000 1.130 1160 Y CA 0.066 58.155 58.100 -0.019 0.000 1.260 1160 Y CB 0.164 38.664 38.460 0.068 0.000 1.369 1160 Y HN 0.141 nan 8.280 nan 0.000 0.499 1161 Y N -0.858 119.530 120.300 0.147 0.000 2.433 1161 Y HA 0.761 5.311 4.550 0.000 0.000 0.337 1161 Y C -1.245 174.700 175.900 0.076 0.000 1.026 1161 Y CA -1.878 56.286 58.100 0.107 0.000 1.037 1161 Y CB 1.226 39.758 38.460 0.120 0.000 1.245 1161 Y HN -0.255 nan 8.280 nan 0.000 0.443 1162 Q N 3.102 123.047 119.800 0.241 0.000 2.353 1162 Q HA 0.648 4.988 4.340 0.000 0.000 0.268 1162 Q C -1.015 175.075 176.000 0.150 0.000 1.045 1162 Q CA -1.036 54.858 55.803 0.151 0.000 0.811 1162 Q CB 1.889 30.676 28.738 0.082 0.000 1.305 1162 Q HN 0.939 nan 8.270 nan 0.000 0.447 1163 L N 2.280 123.584 121.223 0.136 0.000 3.453 1163 L HA -0.164 4.176 4.340 0.000 0.000 0.650 1163 L C -0.947 176.007 176.870 0.140 0.000 1.276 1163 L CA 1.062 55.973 54.840 0.119 0.000 1.063 1163 L CB -0.743 41.364 42.059 0.080 0.000 1.664 1163 L HN 0.725 nan 8.230 nan 0.000 0.878 1164 A N 1.972 124.903 122.820 0.184 0.000 2.965 1164 A HA 0.707 5.027 4.320 0.000 0.000 0.304 1164 A C -0.130 177.582 177.584 0.213 0.000 1.214 1164 A CA 0.153 52.326 52.037 0.227 0.000 0.977 1164 A CB 0.272 19.509 19.000 0.395 0.000 1.127 1164 A HN 0.291 nan 8.150 nan 0.000 0.572 1165 V N -0.597 119.423 119.914 0.176 0.000 2.540 1165 V HA 0.590 4.710 4.120 0.000 0.000 0.302 1165 V C -0.239 175.937 176.094 0.137 0.000 1.035 1165 V CA -0.707 61.697 62.300 0.174 0.000 0.873 1165 V CB 1.080 33.013 31.823 0.184 0.000 0.992 1165 V HN 0.529 nan 8.190 nan 0.000 0.428 1166 C N 5.690 125.061 119.300 0.118 0.000 3.241 1166 C HA 0.846 5.306 4.460 0.000 0.000 0.312 1166 C C -0.477 174.205 174.990 -0.514 0.000 1.350 1166 C CA -0.389 58.660 59.018 0.052 0.000 1.415 1166 C CB 1.280 29.246 27.740 0.377 0.000 1.770 1166 C HN 0.952 nan 8.230 nan 0.000 0.466 1167 I N -0.057 120.299 120.570 -0.357 0.000 3.722 1167 I HA 0.727 4.897 4.170 0.000 0.000 0.285 1167 I C -1.299 174.847 176.117 0.048 0.000 1.140 1167 I CA -0.877 60.067 61.300 -0.593 0.000 1.178 1167 I CB 1.220 39.013 38.000 -0.345 0.000 1.359 1167 I HN 0.589 nan 8.210 nan 0.000 0.456 1168 F N 1.280 121.208 119.950 -0.035 0.000 2.520 1168 F HA 0.633 5.160 4.527 0.000 0.000 0.322 1168 F C -0.523 175.344 175.800 0.110 0.000 1.103 1168 F CA -0.522 57.555 58.000 0.129 0.000 0.926 1168 F CB 1.600 40.659 39.000 0.099 0.000 1.154 1168 F HN 0.416 nan 8.300 nan 0.000 0.453 1169 K N 4.082 124.362 120.400 -0.200 0.000 2.324 1169 K HA 0.208 4.528 4.320 0.000 0.000 0.253 1169 K C -0.913 175.428 176.600 -0.433 0.000 0.932 1169 K CA -0.801 55.377 56.287 -0.181 0.000 0.799 1169 K CB 1.486 33.928 32.500 -0.096 0.000 1.154 1169 K HN 0.712 nan 8.250 nan 0.000 0.425 1170 D N 3.206 123.521 120.400 -0.142 0.000 8.055 1170 D HA -0.174 4.466 4.640 0.000 0.000 0.185 1170 D C 0.912 177.094 176.300 -0.197 0.000 1.453 1170 D CA 2.557 56.512 54.000 -0.074 0.000 0.911 1170 D CB -0.636 40.167 40.800 0.004 0.000 1.701 1170 D HN 0.834 nan 8.370 nan 0.000 0.977 1171 G N 1.864 110.430 108.800 -0.390 0.000 2.317 1171 G HA2 -0.316 3.644 3.960 0.000 0.000 0.227 1171 G HA3 -0.316 3.644 3.960 0.000 0.000 0.227 1171 G C 0.502 175.194 174.900 -0.346 0.000 1.042 1171 G CA 0.518 45.482 45.100 -0.226 0.000 0.623 1171 G HN 0.709 nan 8.290 nan 0.000 0.509 1172 Q N -1.121 118.392 119.800 -0.478 0.000 2.926 1172 Q HA 0.777 5.117 4.340 0.000 0.000 0.186 1172 Q C -0.693 175.103 176.000 -0.341 0.000 1.066 1172 Q CA -1.044 54.542 55.803 -0.362 0.000 0.821 1172 Q CB 0.983 29.585 28.738 -0.228 0.000 2.959 1172 Q HN 0.317 nan 8.270 nan 0.000 0.406 1173 Y N -0.365 119.798 120.300 -0.228 0.000 2.409 1173 Y HA 0.539 5.089 4.550 0.000 0.000 0.343 1173 Y C -0.816 175.074 175.900 -0.016 0.000 0.973 1173 Y CA -1.583 56.498 58.100 -0.032 0.000 1.064 1173 Y CB 2.280 40.829 38.460 0.147 0.000 1.207 1173 Y HN 0.410 nan 8.280 nan 0.000 0.452 1174 V N 5.909 125.950 119.914 0.211 0.000 2.370 1174 V HA 0.500 4.620 4.120 0.000 0.000 0.279 1174 V C -0.246 175.909 176.094 0.102 0.000 1.029 1174 V CA -0.814 61.547 62.300 0.102 0.000 0.870 1174 V CB 0.651 32.514 31.823 0.066 0.000 0.984 1174 V HN 0.610 nan 8.190 nan 0.000 0.451 1175 R N 4.157 124.701 120.500 0.073 0.000 2.537 1175 R HA 0.221 4.561 4.340 0.000 0.000 0.280 1175 R C 0.027 176.352 176.300 0.041 0.000 1.058 1175 R CA -0.077 56.061 56.100 0.064 0.000 1.057 1175 R CB 1.145 31.474 30.300 0.048 0.000 0.973 1175 R HN 0.608 nan 8.270 nan 0.000 0.438 1176 V N 3.424 123.365 119.914 0.045 0.000 3.061 1176 V HA -0.133 3.987 4.120 0.000 0.000 0.306 1176 V C 1.023 177.123 176.094 0.010 0.000 1.118 1176 V CA 0.063 62.382 62.300 0.032 0.000 1.231 1176 V CB 0.411 32.267 31.823 0.055 0.000 0.956 1176 V HN 0.743 nan 8.190 nan 0.000 0.499 1177 N N 6.853 125.549 118.700 -0.008 0.000 2.359 1177 N HA 0.030 4.770 4.740 0.000 0.000 0.261 1177 N C -1.470 174.011 175.510 -0.048 0.000 1.267 1177 N CA -0.635 52.396 53.050 -0.031 0.000 0.864 1177 N CB 1.336 39.792 38.487 -0.051 0.000 1.063 1177 N HN 0.478 nan 8.380 nan 0.000 0.474 1178 P HA -0.059 nan 4.420 nan 0.000 0.226 1178 P C 0.437 177.702 177.300 -0.059 0.000 1.153 1178 P CA 1.131 64.208 63.100 -0.037 0.000 0.777 1178 P CB 0.477 32.163 31.700 -0.022 0.000 0.794 1179 E N 1.153 121.306 120.200 -0.077 0.000 2.016 1179 E HA -0.141 4.209 4.350 0.000 0.000 0.190 1179 E C 2.078 178.589 176.600 -0.150 0.000 0.985 1179 E CA 1.204 57.550 56.400 -0.090 0.000 0.802 1179 E CB -0.288 29.366 29.700 -0.078 0.000 0.762 1179 E HN 0.418 nan 8.360 nan 0.000 0.448 1180 K N 0.239 120.492 120.400 -0.245 0.000 2.366 1180 K HA 0.128 4.448 4.320 0.000 0.000 0.198 1180 K C 0.978 177.168 176.600 -0.683 0.000 1.044 1180 K CA 1.045 57.045 56.287 -0.478 0.000 0.973 1180 K CB 0.387 32.517 32.500 -0.616 0.000 0.767 1180 K HN -0.019 nan 8.250 nan 0.000 0.475 1181 A N 1.502 124.099 122.820 -0.373 0.000 3.041 1181 A HA 0.242 4.562 4.320 0.000 0.000 0.307 1181 A C -0.395 177.171 177.584 -0.031 0.000 1.116 1181 A CA -0.601 51.318 52.037 -0.197 0.000 1.001 1181 A CB 0.329 19.307 19.000 -0.036 0.000 1.112 1181 A HN 0.144 nan 8.150 nan 0.000 0.556 1182 S N 1.178 116.847 115.700 -0.051 0.000 3.517 1182 S HA 0.188 4.658 4.470 0.000 0.000 0.284 1182 S C 0.403 175.042 174.600 0.066 0.000 1.260 1182 S CA -0.125 58.085 58.200 0.017 0.000 0.975 1182 S CB -0.583 62.627 63.200 0.016 0.000 1.540 1182 S HN 0.390 nan 8.310 nan 0.000 0.506 1183 V N 4.693 124.651 119.914 0.073 0.000 2.409 1183 V HA 0.178 4.298 4.120 0.000 0.000 0.270 1183 V C 0.437 176.568 176.094 0.060 0.000 1.019 1183 V CA -0.024 62.323 62.300 0.078 0.000 1.066 1183 V CB 0.146 32.024 31.823 0.091 0.000 1.021 1183 V HN 0.447 nan 8.190 nan 0.000 0.476 1184 V N 5.129 125.078 119.914 0.059 0.000 3.040 1184 V HA 0.903 5.023 4.120 0.000 0.000 0.312 1184 V C -0.118 175.994 176.094 0.029 0.000 1.115 1184 V CA 0.478 62.802 62.300 0.040 0.000 0.998 1184 V CB 2.524 34.373 31.823 0.042 0.000 1.042 1184 V HN 1.314 nan 8.190 nan 0.000 0.433 1185 T N 1.843 116.405 114.554 0.014 0.000 0.541 1185 T HA -0.160 4.190 4.350 0.000 0.000 0.774 1185 T C -0.053 174.646 174.700 -0.001 0.000 0.992 1185 T CA 0.406 62.508 62.100 0.003 0.000 4.077 1185 T CB -1.163 67.701 68.868 -0.006 0.000 2.303 1185 T HN 1.554 nan 8.240 nan 0.000 0.398 1186 N N 1.468 120.164 118.700 -0.007 0.000 2.906 1186 N HA 0.393 5.133 4.740 0.000 0.000 0.282 1186 N C 0.654 176.158 175.510 -0.011 0.000 1.293 1186 N CA -0.033 53.011 53.050 -0.010 0.000 1.059 1186 N CB 0.031 38.511 38.487 -0.011 0.000 1.388 1186 N HN 1.092 nan 8.380 nan 0.000 0.533 1187 A N 1.368 124.183 122.820 -0.008 0.000 2.301 1187 A HA 0.493 4.813 4.320 0.000 0.000 0.287 1187 A C -1.931 175.647 177.584 -0.009 0.000 1.274 1187 A CA -1.305 50.728 52.037 -0.007 0.000 0.865 1187 A CB -0.712 18.288 19.000 -0.001 0.000 1.324 1187 A HN 0.215 nan 8.150 nan 0.000 0.508 1188 P HA -0.059 nan 4.420 nan 0.000 0.251 1188 P C 0.742 178.033 177.300 -0.014 0.000 1.154 1188 P CA 1.079 64.172 63.100 -0.011 0.000 0.805 1188 P CB -0.236 31.458 31.700 -0.010 0.000 0.759 1189 N N 3.201 121.888 118.700 -0.021 0.000 2.453 1189 N HA -0.276 4.464 4.740 0.000 0.000 0.177 1189 N C -0.330 175.164 175.510 -0.027 0.000 0.529 1189 N CA 1.305 54.337 53.050 -0.031 0.000 1.553 1189 N CB -0.682 37.782 38.487 -0.038 0.000 1.408 1189 N HN 0.400 nan 8.380 nan 0.000 0.400 1190 R N 1.374 121.860 120.500 -0.023 0.000 2.409 1190 R HA 0.277 4.617 4.340 0.000 0.000 0.313 1190 R C -1.352 174.954 176.300 0.010 0.000 0.953 1190 R CA -0.508 55.587 56.100 -0.008 0.000 0.849 1190 R CB 1.324 31.614 30.300 -0.017 0.000 1.171 1190 R HN 0.290 nan 8.270 nan 0.000 0.458 1191 D N 4.202 124.621 120.400 0.031 0.000 2.427 1191 D HA 0.090 4.730 4.640 0.000 0.000 0.226 1191 D C -1.014 175.338 176.300 0.087 0.000 1.076 1191 D CA -0.660 53.373 54.000 0.055 0.000 0.849 1191 D CB 1.210 42.048 40.800 0.063 0.000 1.052 1191 D HN 0.194 nan 8.370 nan 0.000 0.515 1192 L N 5.944 127.212 121.223 0.077 0.000 2.283 1192 L HA 0.188 4.528 4.340 0.000 0.000 0.287 1192 L C -0.601 176.301 176.870 0.053 0.000 1.073 1192 L CA -0.113 54.781 54.840 0.090 0.000 0.822 1192 L CB 0.571 42.691 42.059 0.101 0.000 1.186 1192 L HN 0.393 nan 8.230 nan 0.000 0.436 1193 H N 6.225 125.333 119.070 0.063 0.000 2.680 1193 H HA 0.177 4.733 4.556 0.000 0.000 0.260 1193 H C -1.343 174.011 175.328 0.043 0.000 1.328 1193 H CA -0.216 55.861 56.048 0.049 0.000 1.269 1193 H CB 0.366 30.136 29.762 0.012 0.000 1.446 1193 H HN 0.609 nan 8.280 nan 0.000 0.527 1194 F N 4.129 123.907 119.950 -0.288 0.000 2.385 1194 F HA 0.201 4.728 4.527 0.000 0.000 0.360 1194 F C -0.273 175.415 175.800 -0.188 0.000 1.122 1194 F CA -0.788 57.105 58.000 -0.179 0.000 1.090 1194 F CB 0.752 39.654 39.000 -0.163 0.000 1.150 1194 F HN 0.068 nan 8.300 nan 0.000 0.472 1195 V N 7.884 127.536 119.914 -0.436 0.000 2.421 1195 V HA -0.010 4.110 4.120 0.000 0.000 0.271 1195 V C 0.465 176.538 176.094 -0.035 0.000 1.031 1195 V CA -0.367 61.815 62.300 -0.197 0.000 1.032 1195 V CB -0.158 31.538 31.823 -0.212 0.000 1.009 1195 V HN 0.574 nan 8.190 nan 0.000 0.477 1196 L N 5.344 126.535 121.223 -0.053 0.000 2.514 1196 L HA 0.215 4.555 4.340 0.000 0.000 0.280 1196 L C 0.152 176.877 176.870 -0.243 0.000 1.223 1196 L CA 0.824 55.486 54.840 -0.296 0.000 0.864 1196 L CB 0.020 41.539 42.059 -0.900 0.000 1.118 1196 L HN 0.599 nan 8.230 nan 0.000 0.494 1197 D N 1.724 122.038 120.400 -0.142 0.000 2.977 1197 D HA 0.220 4.860 4.640 0.000 0.000 0.220 1197 D C 0.592 176.868 176.300 -0.041 0.000 1.267 1197 D CA -0.547 53.515 54.000 0.104 0.000 0.884 1197 D CB 2.079 42.918 40.800 0.065 0.000 1.667 1197 D HN 0.306 nan 8.370 nan 0.000 0.536 1198 L N 1.499 122.751 121.223 0.048 0.000 2.261 1198 L HA -0.206 4.134 4.340 0.000 0.000 0.216 1198 L C 2.474 178.881 176.870 -0.773 0.000 1.114 1198 L CA 1.194 55.847 54.840 -0.311 0.000 0.777 1198 L CB -0.374 41.682 42.059 -0.006 0.000 0.910 1198 L HN 0.520 nan 8.230 nan 0.000 0.440 1199 A N 1.589 124.200 122.820 -0.348 0.000 1.984 1199 A HA -0.363 3.957 4.320 0.000 0.000 0.224 1199 A C 1.872 179.216 177.584 -0.400 0.000 1.256 1199 A CA 2.481 54.358 52.037 -0.267 0.000 0.679 1199 A CB -0.937 18.019 19.000 -0.074 0.000 0.829 1199 A HN 0.699 nan 8.150 nan 0.000 0.483 1200 D N -0.144 119.989 120.400 -0.445 0.000 2.354 1200 D HA -0.174 4.466 4.640 0.000 0.000 0.216 1200 D C 1.231 176.977 176.300 -0.925 0.000 0.970 1200 D CA 1.224 54.861 54.000 -0.604 0.000 0.905 1200 D CB -0.950 39.526 40.800 -0.539 0.000 0.903 1200 D HN 0.545 nan 8.370 nan 0.000 0.508 1201 N N 0.217 118.491 118.700 -0.709 0.000 2.223 1201 N HA -0.140 4.600 4.740 0.000 0.000 0.185 1201 N C 0.320 175.902 175.510 0.121 0.000 1.016 1201 N CA 1.007 53.841 53.050 -0.361 0.000 0.863 1201 N CB -0.127 38.064 38.487 -0.492 0.000 0.983 1201 N HN 0.431 nan 8.380 nan 0.000 0.429 1202 H N -0.953 118.100 119.070 -0.028 0.000 2.492 1202 H HA 0.440 4.996 4.556 0.000 0.000 0.264 1202 H C -0.619 174.856 175.328 0.245 0.000 1.150 1202 H CA -0.307 55.882 56.048 0.235 0.000 0.962 1202 H CB 0.281 30.247 29.762 0.340 0.000 1.766 1202 H HN -0.193 nan 8.280 nan 0.000 0.589 1203 V N 1.296 121.311 119.914 0.169 0.000 2.871 1203 V HA 0.207 4.327 4.120 0.000 0.000 0.283 1203 V C -1.792 174.290 176.094 -0.021 0.000 1.422 1203 V CA -0.842 61.516 62.300 0.097 0.000 0.943 1203 V CB 2.324 34.206 31.823 0.099 0.000 1.125 1203 V HN 0.184 nan 8.190 nan 0.000 0.440 1204 L N 7.047 128.384 121.223 0.190 0.000 2.317 1204 L HA 0.851 5.191 4.340 0.000 0.000 0.281 1204 L C -1.154 175.686 176.870 -0.049 0.000 1.024 1204 L CA 0.043 54.985 54.840 0.170 0.000 0.810 1204 L CB 1.604 43.802 42.059 0.232 0.000 1.240 1204 L HN 0.667 nan 8.230 nan 0.000 0.427 1205 L N 4.774 125.942 121.223 -0.092 0.000 2.330 1205 L HA 0.522 4.862 4.340 0.000 0.000 0.271 1205 L C -1.166 175.635 176.870 -0.114 0.000 1.013 1205 L CA -0.469 54.240 54.840 -0.218 0.000 0.816 1205 L CB 1.649 43.636 42.059 -0.120 0.000 1.287 1205 L HN 0.567 nan 8.230 nan 0.000 0.435 1206 Y N 0.816 121.129 120.300 0.022 0.000 2.328 1206 Y HA 0.624 5.174 4.550 0.000 0.000 0.337 1206 Y C -0.513 175.459 175.900 0.120 0.000 0.966 1206 Y CA -2.239 55.888 58.100 0.045 0.000 1.136 1206 Y CB 0.569 39.011 38.460 -0.030 0.000 1.170 1206 Y HN 0.380 nan 8.280 nan 0.000 0.470 1207 L N 5.686 127.136 121.223 0.379 0.000 2.623 1207 L HA 0.249 4.589 4.340 0.000 0.000 0.281 1207 L C -0.310 176.782 176.870 0.371 0.000 1.150 1207 L CA 0.342 55.397 54.840 0.359 0.000 0.965 1207 L CB -0.720 41.557 42.059 0.364 0.000 1.303 1207 L HN 0.963 nan 8.230 nan 0.000 0.467 1208 C N 4.254 123.732 119.300 0.296 0.000 2.507 1208 C HA 0.444 4.904 4.460 0.000 0.000 0.319 1208 C C -0.017 174.804 174.990 -0.282 0.000 1.208 1208 C CA -1.165 57.940 59.018 0.146 0.000 1.619 1208 C CB 1.194 29.117 27.740 0.304 0.000 2.230 1208 C HN 0.881 nan 8.230 nan 0.000 0.492 1209 D N 3.300 123.321 120.400 -0.631 0.000 2.520 1209 D HA 0.062 4.702 4.640 0.000 0.000 0.243 1209 D C 0.853 176.800 176.300 -0.588 0.000 1.160 1209 D CA 0.389 53.668 54.000 -1.201 0.000 0.877 1209 D CB 0.973 41.403 40.800 -0.618 0.000 1.150 1209 D HN 0.381 nan 8.370 nan 0.000 0.494 1210 V N 3.246 122.837 119.914 -0.539 0.000 2.374 1210 V HA -0.145 3.975 4.120 0.000 0.000 0.241 1210 V C 2.565 178.623 176.094 -0.059 0.000 1.034 1210 V CA 1.590 63.807 62.300 -0.138 0.000 1.037 1210 V CB -1.091 30.744 31.823 0.020 0.000 0.682 1210 V HN 0.835 nan 8.190 nan 0.000 0.463 1211 T N -0.019 114.546 114.554 0.019 0.000 2.680 1211 T HA -0.140 4.210 4.350 0.000 0.000 0.268 1211 T C -0.507 174.212 174.700 0.032 0.000 1.033 1211 T CA 1.090 63.231 62.100 0.068 0.000 1.152 1211 T CB -2.232 66.734 68.868 0.163 0.000 0.859 1211 T HN 0.552 nan 8.240 nan 0.000 0.452 1212 P HA 0.277 nan 4.420 nan 0.000 0.275 1212 P C 0.046 177.331 177.300 -0.025 0.000 1.228 1212 P CA -0.190 62.904 63.100 -0.009 0.000 0.786 1212 P CB 0.867 32.552 31.700 -0.025 0.000 0.927 1213 S N 0.525 116.225 115.700 -0.001 0.000 3.613 1213 S HA 0.412 4.882 4.470 0.000 0.000 0.220 1213 S C 0.634 175.207 174.600 -0.045 0.000 1.261 1213 S CA -0.087 58.096 58.200 -0.028 0.000 1.143 1213 S CB -1.555 61.639 63.200 -0.011 0.000 1.315 1213 S HN 0.892 nan 8.310 nan 0.000 0.450 1214 G N 1.111 109.859 108.800 -0.087 0.000 2.299 1214 G HA2 0.367 4.327 3.960 0.000 0.000 0.312 1214 G HA3 0.367 4.327 3.960 0.000 0.000 0.312 1214 G C -1.179 173.596 174.900 -0.208 0.000 1.654 1214 G CA -1.112 43.901 45.100 -0.145 0.000 0.912 1214 G HN 0.398 nan 8.290 nan 0.000 0.667 1215 L N 2.033 123.052 121.223 -0.340 0.000 2.264 1215 L HA 0.614 4.954 4.340 0.000 0.000 0.289 1215 L C 1.334 177.928 176.870 -0.460 0.000 1.044 1215 L CA 0.355 54.977 54.840 -0.363 0.000 0.807 1215 L CB 1.518 43.420 42.059 -0.261 0.000 1.192 1215 L HN 1.443 nan 8.230 nan 0.000 0.425 1216 G N 2.081 110.768 108.800 -0.187 0.000 2.144 1216 G HA2 -0.231 3.729 3.960 0.000 0.000 0.218 1216 G HA3 -0.231 3.729 3.960 0.000 0.000 0.218 1216 G C 0.279 175.127 174.900 -0.086 0.000 0.988 1216 G CA 0.152 45.211 45.100 -0.068 0.000 0.659 1216 G HN 0.708 nan 8.290 nan 0.000 0.522 1217 D N 0.290 120.620 120.400 -0.116 0.000 2.077 1217 D HA 0.022 4.662 4.640 0.000 0.000 0.193 1217 D C 1.904 178.177 176.300 -0.046 0.000 0.989 1217 D CA 0.879 54.831 54.000 -0.080 0.000 0.831 1217 D CB -0.090 40.659 40.800 -0.085 0.000 0.979 1217 D HN 0.453 nan 8.370 nan 0.000 0.449 1218 R N 1.196 121.675 120.500 -0.037 0.000 4.792 1218 R HA 0.266 4.606 4.340 0.000 0.000 0.205 1218 R C -0.113 176.259 176.300 0.119 0.000 1.875 1218 R CA -0.280 55.845 56.100 0.041 0.000 1.588 1218 R CB -1.172 29.178 30.300 0.084 0.000 1.401 1218 R HN 0.311 nan 8.270 nan 0.000 0.834 1219 I N -3.084 117.523 120.570 0.063 0.000 5.827 1219 I HA -0.368 3.802 4.170 0.000 0.000 0.126 1219 I C -0.884 175.295 176.117 0.104 0.000 1.293 1219 I CA 0.686 62.035 61.300 0.082 0.000 2.569 1219 I CB -0.118 37.946 38.000 0.106 0.000 2.341 1219 I HN 0.291 nan 8.210 nan 0.000 0.305 1220 A N 4.615 127.482 122.820 0.079 0.000 2.343 1220 A HA 0.722 5.042 4.320 0.000 0.000 0.308 1220 A C -0.844 176.824 177.584 0.142 0.000 1.092 1220 A CA -0.422 51.684 52.037 0.115 0.000 0.751 1220 A CB 0.883 19.860 19.000 -0.037 0.000 1.203 1220 A HN 1.018 nan 8.150 nan 0.000 0.452 1221 F N 6.166 126.200 119.950 0.140 0.000 2.439 1221 F HA 0.376 4.903 4.527 0.000 0.000 0.356 1221 F C -1.845 174.030 175.800 0.126 0.000 1.161 1221 F CA -2.094 55.976 58.000 0.117 0.000 1.151 1221 F CB 0.904 39.968 39.000 0.106 0.000 1.222 1221 F HN 0.329 nan 8.300 nan 0.000 0.558 1222 P HA -0.001 nan 4.420 nan 0.000 0.264 1222 P C -0.113 177.026 177.300 -0.270 0.000 1.229 1222 P CA 0.320 63.288 63.100 -0.220 0.000 0.780 1222 P CB 0.213 31.763 31.700 -0.251 0.000 0.808 1223 I N 3.701 124.321 120.570 0.083 0.000 2.280 1223 I HA -0.045 4.125 4.170 0.000 0.000 0.287 1223 I C 1.991 178.175 176.117 0.110 0.000 1.121 1223 I CA -0.365 61.063 61.300 0.214 0.000 1.798 1223 I CB -0.474 37.615 38.000 0.149 0.000 1.489 1223 I HN 0.120 nan 8.210 nan 0.000 0.805 1224 V N -0.082 119.881 119.914 0.082 0.000 2.453 1224 V HA -0.301 3.819 4.120 0.000 0.000 0.252 1224 V C 1.579 177.715 176.094 0.071 0.000 1.068 1224 V CA 2.090 64.422 62.300 0.054 0.000 1.070 1224 V CB -0.968 30.852 31.823 -0.005 0.000 0.664 1224 V HN 0.547 nan 8.190 nan 0.000 0.461 1225 D N 0.902 121.345 120.400 0.071 0.000 2.133 1225 D HA -0.197 4.443 4.640 0.000 0.000 0.195 1225 D C 1.884 178.152 176.300 -0.052 0.000 0.997 1225 D CA 1.795 55.806 54.000 0.018 0.000 0.840 1225 D CB -0.402 40.405 40.800 0.013 0.000 0.947 1225 D HN 0.519 nan 8.370 nan 0.000 0.452 1226 I N -0.650 119.856 120.570 -0.107 0.000 2.546 1226 I HA -0.148 4.022 4.170 0.000 0.000 0.255 1226 I C 1.624 177.624 176.117 -0.194 0.000 1.163 1226 I CA 0.919 62.071 61.300 -0.247 0.000 1.457 1226 I CB -0.284 37.406 38.000 -0.517 0.000 1.092 1226 I HN 0.078 nan 8.210 nan 0.000 0.434 1227 Y N 0.972 121.171 120.300 -0.168 0.000 2.293 1227 Y HA -0.124 4.426 4.550 0.000 0.000 0.291 1227 Y C 1.216 177.048 175.900 -0.113 0.000 1.137 1227 Y CA 0.677 58.700 58.100 -0.130 0.000 1.202 1227 Y CB 0.062 38.472 38.460 -0.083 0.000 0.990 1227 Y HN -0.035 nan 8.280 nan 0.000 0.537 1228 R N 1.344 121.905 120.500 0.103 0.000 4.860 1228 R HA 0.133 4.473 4.340 0.000 0.000 0.191 1228 R C -0.640 175.645 176.300 -0.025 0.000 1.936 1228 R CA 0.039 56.173 56.100 0.058 0.000 1.609 1228 R CB -1.085 29.239 30.300 0.040 0.000 1.392 1228 R HN 0.275 nan 8.270 nan 0.000 0.844 1229 I N 0.847 121.374 120.570 -0.071 0.000 2.533 1229 I HA 0.144 4.314 4.170 0.000 0.000 0.284 1229 I C 0.043 176.106 176.117 -0.090 0.000 1.109 1229 I CA 0.084 61.285 61.300 -0.165 0.000 1.412 1229 I CB 0.553 38.365 38.000 -0.312 0.000 1.396 1229 I HN 0.414 nan 8.210 nan 0.000 0.543 1230 A N 7.110 129.878 122.820 -0.087 0.000 2.325 1230 A HA 0.630 4.950 4.320 0.000 0.000 0.333 1230 A C -1.041 176.559 177.584 0.026 0.000 1.155 1230 A CA -0.428 51.635 52.037 0.042 0.000 0.814 1230 A CB 0.539 19.571 19.000 0.052 0.000 1.206 1230 A HN 0.631 nan 8.150 nan 0.000 0.482 1231 F N 2.916 122.924 119.950 0.097 0.000 2.319 1231 F HA 0.336 4.863 4.527 0.000 0.000 0.356 1231 F C -1.884 173.963 175.800 0.077 0.000 1.100 1231 F CA -1.788 56.280 58.000 0.114 0.000 1.220 1231 F CB 0.971 40.034 39.000 0.104 0.000 1.506 1231 F HN 0.315 nan 8.300 nan 0.000 0.512 1232 P HA 0.301 nan 4.420 nan 0.000 0.282 1232 P C -0.021 177.348 177.300 0.115 0.000 1.249 1232 P CA -0.741 62.440 63.100 0.133 0.000 0.806 1232 P CB 1.334 33.093 31.700 0.098 0.000 0.984 1233 R N 2.211 122.757 120.500 0.076 0.000 4.031 1233 R HA 0.117 4.457 4.340 0.000 0.000 0.269 1233 R C 0.900 177.225 176.300 0.041 0.000 1.668 1233 R CA 0.104 56.234 56.100 0.049 0.000 1.432 1233 R CB -0.842 29.472 30.300 0.023 0.000 1.374 1233 R HN 0.520 nan 8.270 nan 0.000 0.681 1234 N N -3.079 115.651 118.700 0.050 0.000 2.011 1234 N HA -0.059 4.681 4.740 0.000 0.000 0.254 1234 N C -0.555 174.979 175.510 0.041 0.000 1.205 1234 N CA 0.203 53.277 53.050 0.040 0.000 0.783 1234 N CB 0.430 38.939 38.487 0.036 0.000 1.472 1234 N HN 0.045 nan 8.380 nan 0.000 0.524 1235 T N 0.260 114.845 114.554 0.052 0.000 2.771 1235 T HA 0.646 4.996 4.350 0.000 0.000 0.281 1235 T C -2.948 171.767 174.700 0.025 0.000 0.982 1235 T CA -1.642 60.487 62.100 0.048 0.000 0.978 1235 T CB 2.167 71.081 68.868 0.076 0.000 0.930 1235 T HN -0.160 nan 8.240 nan 0.000 0.447 1236 P HA 0.214 nan 4.420 nan 0.000 0.269 1236 P C -0.428 176.665 177.300 -0.344 0.000 1.217 1236 P CA -0.516 62.514 63.100 -0.118 0.000 0.783 1236 P CB 0.390 32.012 31.700 -0.130 0.000 0.898 1237 V N -0.207 119.410 119.914 -0.496 0.000 2.407 1237 V HA 0.535 4.655 4.120 0.000 0.000 0.291 1237 V C -0.296 175.158 176.094 -1.067 0.000 1.018 1237 V CA -0.786 60.901 62.300 -1.022 0.000 0.842 1237 V CB 1.417 33.020 31.823 -0.367 0.000 0.996 1237 V HN 0.300 nan 8.190 nan 0.000 0.426 1238 R N 3.950 123.402 120.500 -1.747 0.000 2.229 1238 R HA 0.797 5.137 4.340 0.000 0.000 0.328 1238 R C -0.104 176.038 176.300 -0.264 0.000 1.009 1238 R CA -0.124 55.583 56.100 -0.655 0.000 0.864 1238 R CB 1.932 32.036 30.300 -0.326 0.000 1.085 1238 R HN 0.990 nan 8.270 nan 0.000 0.453 1239 A N 2.058 124.655 122.820 -0.372 0.000 2.303 1239 A HA 0.559 4.879 4.320 0.000 0.000 0.320 1239 A C -0.475 176.693 177.584 -0.694 0.000 1.192 1239 A CA -0.651 51.162 52.037 -0.374 0.000 0.821 1239 A CB 1.164 19.967 19.000 -0.328 0.000 1.188 1239 A HN 0.725 nan 8.150 nan 0.000 0.492 1240 S N 1.754 117.294 115.700 -0.267 0.000 2.536 1240 S HA 0.522 4.992 4.470 0.000 0.000 0.287 1240 S C -0.380 174.222 174.600 0.003 0.000 1.101 1240 S CA -0.765 57.330 58.200 -0.174 0.000 0.950 1240 S CB 1.192 64.343 63.200 -0.082 0.000 1.056 1240 S HN 1.482 nan 8.310 nan 0.000 0.481 1241 L N 3.607 124.885 121.223 0.092 0.000 3.027 1241 L HA 0.058 4.398 4.340 0.000 0.000 0.300 1241 L C -1.369 175.511 176.870 0.016 0.000 0.991 1241 L CA -0.367 54.521 54.840 0.079 0.000 1.110 1241 L CB -0.190 41.947 42.059 0.130 0.000 1.587 1241 L HN 0.557 nan 8.230 nan 0.000 0.419 1242 P HA -0.099 nan 4.420 nan 0.000 0.221 1242 P C -0.793 176.493 177.300 -0.023 0.000 1.150 1242 P CA 1.282 64.358 63.100 -0.040 0.000 0.800 1242 P CB -0.033 31.665 31.700 -0.003 0.000 0.787 1243 Y N -5.607 114.760 120.300 0.112 0.000 2.750 1243 Y HA 0.396 4.946 4.550 0.000 0.000 0.335 1243 Y C 1.167 177.094 175.900 0.044 0.000 1.252 1243 Y CA -0.735 57.407 58.100 0.069 0.000 1.064 1243 Y CB -0.827 37.669 38.460 0.060 0.000 1.321 1243 Y HN -0.329 nan 8.280 nan 0.000 0.451 1244 T N -1.662 113.046 114.554 0.258 0.000 3.098 1244 T HA 0.244 4.594 4.350 0.000 0.000 0.266 1244 T C 0.842 175.612 174.700 0.116 0.000 1.145 1244 T CA 0.549 62.726 62.100 0.129 0.000 1.092 1244 T CB -0.973 67.961 68.868 0.111 0.000 0.908 1244 T HN 0.994 nan 8.240 nan 0.000 0.526 1245 G N 0.204 109.156 108.800 0.253 0.000 2.537 1245 G HA2 0.493 4.453 3.960 0.000 0.000 0.273 1245 G HA3 0.493 4.453 3.960 0.000 0.000 0.273 1245 G C 0.370 175.295 174.900 0.042 0.000 1.189 1245 G CA -0.634 44.580 45.100 0.190 0.000 0.881 1245 G HN 0.407 nan 8.290 nan 0.000 0.535 1246 G N -0.550 108.259 108.800 0.016 0.000 2.563 1246 G HA2 0.436 4.396 3.960 0.000 0.000 0.295 1246 G HA3 0.436 4.396 3.960 0.000 0.000 0.295 1246 G C 0.566 175.419 174.900 -0.079 0.000 0.874 1246 G CA 0.261 45.330 45.100 -0.052 0.000 1.642 1246 G HN 0.881 nan 8.290 nan 0.000 0.483 1247 G N 1.297 110.041 108.800 -0.094 0.000 4.232 1247 G HA2 0.464 4.424 3.960 0.000 0.000 0.304 1247 G HA3 0.464 4.424 3.960 0.000 0.000 0.304 1247 G C 0.893 175.769 174.900 -0.040 0.000 1.295 1247 G CA 0.413 45.471 45.100 -0.071 0.000 1.398 1247 G HN 0.748 nan 8.290 nan 0.000 0.571 1248 A N 0.414 123.228 122.820 -0.010 0.000 2.123 1248 A HA 0.092 4.412 4.320 0.000 0.000 0.214 1248 A C 1.394 179.103 177.584 0.208 0.000 1.152 1248 A CA 0.399 52.487 52.037 0.084 0.000 0.728 1248 A CB -0.378 18.680 19.000 0.096 0.000 0.814 1248 A HN 0.698 nan 8.150 nan 0.000 0.464 1249 H N -1.153 117.932 119.070 0.025 0.000 2.612 1249 H HA 0.151 4.707 4.556 0.000 0.000 0.285 1249 H C -0.354 175.008 175.328 0.057 0.000 1.066 1249 H CA -0.652 55.424 56.048 0.047 0.000 1.180 1249 H CB -0.073 29.726 29.762 0.061 0.000 1.312 1249 H HN 0.303 nan 8.280 nan 0.000 0.606 1250 L N 2.727 124.042 121.223 0.153 0.000 2.369 1250 L HA 0.101 4.441 4.340 0.000 0.000 0.279 1250 L C 0.289 177.345 176.870 0.309 0.000 1.108 1250 L CA 0.215 55.129 54.840 0.124 0.000 0.852 1250 L CB 0.388 42.453 42.059 0.011 0.000 1.169 1250 L HN 0.098 nan 8.230 nan 0.000 0.452 1251 T N 0.686 115.441 114.554 0.335 0.000 3.032 1251 T HA 0.393 4.743 4.350 0.000 0.000 0.312 1251 T C -0.461 174.331 174.700 0.153 0.000 1.078 1251 T CA -0.716 61.609 62.100 0.375 0.000 1.028 1251 T CB 1.289 70.262 68.868 0.175 0.000 1.091 1251 T HN 0.458 nan 8.240 nan 0.000 0.457 1252 S N 2.098 117.868 115.700 0.117 0.000 2.423 1252 S HA 0.547 5.017 4.470 0.000 0.000 0.317 1252 S C 1.358 175.920 174.600 -0.063 0.000 1.065 1252 S CA 0.393 58.331 58.200 -0.438 0.000 1.111 1252 S CB -0.616 61.776 63.200 -1.346 0.000 0.968 1252 S HN 2.020 nan 8.310 nan 0.000 0.474 1253 G N 3.431 112.146 108.800 -0.142 0.000 2.412 1253 G HA2 -0.054 3.906 3.960 0.000 0.000 0.297 1253 G HA3 -0.054 3.906 3.960 0.000 0.000 0.297 1253 G C 1.156 176.054 174.900 -0.003 0.000 0.965 1253 G CA 0.649 45.706 45.100 -0.070 0.000 1.134 1253 G HN 1.929 nan 8.290 nan 0.000 0.511 1254 G N -0.558 108.253 108.800 0.019 0.000 2.490 1254 G HA2 -0.303 3.657 3.960 0.000 0.000 0.214 1254 G HA3 -0.303 3.657 3.960 0.000 0.000 0.214 1254 G C 0.468 175.401 174.900 0.054 0.000 1.151 1254 G CA 0.255 45.370 45.100 0.025 0.000 0.684 1254 G HN 1.039 nan 8.290 nan 0.000 0.518 1255 N N 3.167 121.934 118.700 0.111 0.000 2.458 1255 N HA 0.334 5.074 4.740 0.000 0.000 0.258 1255 N C -2.716 172.807 175.510 0.021 0.000 1.219 1255 N CA -0.171 52.906 53.050 0.046 0.000 0.902 1255 N CB 0.941 39.471 38.487 0.073 0.000 1.076 1255 N HN 0.222 nan 8.380 nan 0.000 0.455 1256 P HA 0.271 nan 4.420 nan 0.000 0.278 1256 P C -0.461 176.526 177.300 -0.521 0.000 1.238 1256 P CA -0.005 63.017 63.100 -0.130 0.000 0.794 1256 P CB 0.649 32.288 31.700 -0.101 0.000 0.955 1257 F N 0.001 119.996 119.950 0.076 0.000 2.932 1257 F HA 0.405 4.932 4.527 0.000 0.000 0.267 1257 F C 1.318 177.101 175.800 -0.028 0.000 1.396 1257 F CA -0.598 57.433 58.000 0.052 0.000 0.988 1257 F CB -0.104 38.981 39.000 0.142 0.000 1.938 1257 F HN 0.079 nan 8.300 nan 0.000 0.471 1258 M N 2.926 122.567 119.600 0.067 0.000 3.300 1258 M HA 0.042 4.522 4.480 0.000 0.000 0.237 1258 M C -0.003 176.256 176.300 -0.068 0.000 1.613 1258 M CA -0.006 55.198 55.300 -0.159 0.000 1.690 1258 M CB -1.694 30.613 32.600 -0.488 0.000 1.288 1258 M HN 0.527 nan 8.290 nan 0.000 0.520 1259 S N 2.938 118.657 115.700 0.032 0.000 2.558 1259 S HA 0.136 4.606 4.470 0.000 0.000 0.287 1259 S C 0.178 174.860 174.600 0.136 0.000 1.321 1259 S CA -0.524 57.727 58.200 0.085 0.000 1.048 1259 S CB 0.454 63.688 63.200 0.055 0.000 0.844 1259 S HN 0.616 nan 8.310 nan 0.000 0.512 1260 L N 2.613 123.877 121.223 0.067 0.000 2.363 1260 L HA 0.269 4.609 4.340 0.000 0.000 0.286 1260 L C 0.360 177.076 176.870 -0.258 0.000 1.106 1260 L CA -0.214 54.613 54.840 -0.023 0.000 0.859 1260 L CB -1.001 41.019 42.059 -0.066 0.000 1.223 1260 L HN 0.956 nan 8.230 nan 0.000 0.446 1261 T N 1.877 116.010 114.554 -0.701 0.000 1.803 1261 T HA -0.132 4.218 4.350 0.000 0.000 0.613 1261 T C -0.211 174.320 174.700 -0.282 0.000 0.923 1261 T CA 0.682 62.331 62.100 -0.751 0.000 3.257 1261 T CB -0.878 67.689 68.868 -0.502 0.000 1.901 1261 T HN 0.823 nan 8.240 nan 0.000 0.423 1262 T N 3.479 117.950 114.554 -0.139 0.000 3.047 1262 T HA 0.503 4.853 4.350 0.000 0.000 0.340 1262 T C -2.949 171.780 174.700 0.049 0.000 1.421 1262 T CA -1.203 60.886 62.100 -0.017 0.000 1.090 1262 T CB 2.013 70.883 68.868 0.004 0.000 1.292 1262 T HN 0.181 nan 8.240 nan 0.000 0.480 1263 P HA 0.347 nan 4.420 nan 0.000 0.271 1263 P C -2.335 174.978 177.300 0.022 0.000 1.216 1263 P CA -0.674 62.445 63.100 0.032 0.000 0.771 1263 P CB -0.566 31.144 31.700 0.016 0.000 0.864 1264 P HA -0.165 nan 4.420 nan 0.000 0.240 1264 P C -0.402 176.892 177.300 -0.010 0.000 1.057 1264 P CA 0.663 63.763 63.100 -0.001 0.000 0.792 1264 P CB -0.417 31.274 31.700 -0.016 0.000 0.669 1265 A N 3.703 126.516 122.820 -0.011 0.000 2.386 1265 A HA 0.241 4.561 4.320 0.000 0.000 0.248 1265 A C 0.470 178.010 177.584 -0.074 0.000 1.082 1265 A CA -0.526 51.488 52.037 -0.038 0.000 0.789 1265 A CB 0.511 19.489 19.000 -0.037 0.000 1.025 1265 A HN 0.375 nan 8.150 nan 0.000 0.490 1266 V N 3.342 123.202 119.914 -0.089 0.000 2.302 1266 V HA 0.027 4.147 4.120 0.000 0.000 0.244 1266 V C 0.144 176.176 176.094 -0.103 0.000 1.160 1266 V CA 0.245 62.475 62.300 -0.117 0.000 1.127 1266 V CB -0.601 31.117 31.823 -0.175 0.000 1.253 1266 V HN 0.609 nan 8.190 nan 0.000 0.496 1267 L N 9.271 130.446 121.223 -0.080 0.000 2.312 1267 L HA 0.472 4.812 4.340 0.000 0.000 0.287 1267 L C -1.742 175.119 176.870 -0.015 0.000 1.091 1267 L CA -0.908 53.900 54.840 -0.054 0.000 0.846 1267 L CB 0.612 42.625 42.059 -0.076 0.000 1.219 1267 L HN 0.401 nan 8.230 nan 0.000 0.439 1268 P HA 0.275 nan 4.420 nan 0.000 0.279 1268 P C 0.174 177.510 177.300 0.059 0.000 1.282 1268 P CA -0.477 62.661 63.100 0.065 0.000 0.788 1268 P CB 0.756 32.550 31.700 0.157 0.000 1.139 1269 A N 0.279 123.132 122.820 0.055 0.000 2.259 1269 A HA 0.061 4.382 4.320 0.000 0.000 0.212 1269 A C 1.695 179.306 177.584 0.046 0.000 1.178 1269 A CA 1.561 53.623 52.037 0.041 0.000 0.734 1269 A CB -1.495 17.526 19.000 0.035 0.000 0.774 1269 A HN 0.643 nan 8.150 nan 0.000 0.481 1270 G N -1.252 107.590 108.800 0.069 0.000 3.277 1270 G HA2 0.426 4.386 3.960 0.000 0.000 0.243 1270 G HA3 0.426 4.386 3.960 0.000 0.000 0.243 1270 G C -0.054 174.870 174.900 0.041 0.000 1.107 1270 G CA 0.300 45.435 45.100 0.058 0.000 0.771 1270 G HN 0.229 nan 8.290 nan 0.000 0.544 1271 V N 0.414 120.351 119.914 0.038 0.000 2.555 1271 V HA 0.890 5.010 4.120 0.000 0.000 0.302 1271 V C -0.115 175.974 176.094 -0.009 0.000 1.038 1271 V CA -0.708 61.600 62.300 0.014 0.000 0.887 1271 V CB 1.254 33.092 31.823 0.025 0.000 0.991 1271 V HN 0.407 nan 8.190 nan 0.000 0.434 1272 A N 3.466 126.281 122.820 -0.009 0.000 2.594 1272 A HA 0.772 5.092 4.320 0.000 0.000 0.296 1272 A C -1.624 175.963 177.584 0.005 0.000 1.061 1272 A CA -0.569 51.458 52.037 -0.017 0.000 0.689 1272 A CB 1.522 20.514 19.000 -0.015 0.000 1.280 1272 A HN 0.826 nan 8.150 nan 0.000 0.406 1273 L N 1.691 122.906 121.223 -0.013 0.000 2.349 1273 L HA 0.667 5.007 4.340 0.000 0.000 0.275 1273 L C 0.692 177.568 176.870 0.009 0.000 1.115 1273 L CA 0.343 55.191 54.840 0.014 0.000 0.820 1273 L CB 1.263 43.293 42.059 -0.048 0.000 1.135 1273 L HN 1.042 nan 8.230 nan 0.000 0.445 1274 A N 4.841 127.676 122.820 0.025 0.000 2.415 1274 A HA 0.554 4.874 4.320 0.000 0.000 0.309 1274 A C 1.279 178.861 177.584 -0.005 0.000 1.356 1274 A CA 0.146 52.184 52.037 0.001 0.000 0.998 1274 A CB 0.009 19.003 19.000 -0.011 0.000 1.145 1274 A HN 1.125 nan 8.150 nan 0.000 0.545 1275 A N 3.014 125.829 122.820 -0.008 0.000 1.927 1275 A HA -0.152 4.168 4.320 0.000 0.000 0.220 1275 A C 1.323 178.901 177.584 -0.010 0.000 1.185 1275 A CA 1.350 53.381 52.037 -0.010 0.000 0.639 1275 A CB -0.632 18.362 19.000 -0.010 0.000 0.820 1275 A HN 1.137 nan 8.150 nan 0.000 0.451 1276 L N 1.353 122.569 121.223 -0.012 0.000 2.774 1276 L HA 0.069 4.409 4.340 0.000 0.000 0.284 1276 L C 0.868 177.727 176.870 -0.019 0.000 1.149 1276 L CA 0.502 55.331 54.840 -0.017 0.000 1.069 1276 L CB -0.665 41.383 42.059 -0.018 0.000 1.407 1276 L HN 0.179 nan 8.230 nan 0.000 0.460 1277 S N 2.495 118.185 115.700 -0.015 0.000 3.829 1277 S HA 0.050 4.520 4.470 0.000 0.000 0.250 1277 S C 0.889 175.477 174.600 -0.020 0.000 1.263 1277 S CA -0.030 58.164 58.200 -0.009 0.000 0.955 1277 S CB -0.775 62.425 63.200 0.001 0.000 1.611 1277 S HN 0.750 nan 8.310 nan 0.000 0.483 1278 T N 1.037 115.573 114.554 -0.031 0.000 3.783 1278 T HA 0.372 4.722 4.350 0.000 0.000 0.262 1278 T C 0.052 174.733 174.700 -0.031 0.000 1.381 1278 T CA -0.588 61.483 62.100 -0.049 0.000 1.155 1278 T CB 0.054 68.878 68.868 -0.074 0.000 1.256 1278 T HN 0.300 nan 8.240 nan 0.000 0.807 1279 S N 0.718 116.413 115.700 -0.007 0.000 2.521 1279 S HA 0.429 4.899 4.470 0.000 0.000 0.295 1279 S C 1.172 175.786 174.600 0.024 0.000 1.098 1279 S CA -0.798 57.413 58.200 0.018 0.000 0.999 1279 S CB 1.502 64.733 63.200 0.051 0.000 1.034 1279 S HN 0.255 nan 8.310 nan 0.000 0.483 1280 V N 3.278 123.212 119.914 0.034 0.000 2.568 1280 V HA 0.040 4.160 4.120 0.000 0.000 0.253 1280 V C 1.234 177.361 176.094 0.055 0.000 1.072 1280 V CA 1.894 64.221 62.300 0.044 0.000 1.084 1280 V CB -1.142 30.717 31.823 0.061 0.000 0.676 1280 V HN 0.863 nan 8.190 nan 0.000 0.469 1281 A N -0.506 122.352 122.820 0.064 0.000 2.413 1281 A HA 0.559 4.879 4.320 0.000 0.000 0.307 1281 A C 1.175 178.802 177.584 0.072 0.000 1.087 1281 A CA 0.295 52.373 52.037 0.068 0.000 0.750 1281 A CB 1.298 20.346 19.000 0.080 0.000 1.296 1281 A HN 0.291 nan 8.150 nan 0.000 0.423 1282 T N -1.183 113.408 114.554 0.062 0.000 2.821 1282 T HA -0.203 4.147 4.350 0.000 0.000 0.267 1282 T C 1.674 176.423 174.700 0.082 0.000 1.046 1282 T CA 1.594 63.730 62.100 0.060 0.000 1.139 1282 T CB -0.320 68.575 68.868 0.044 0.000 0.871 1282 T HN 0.657 nan 8.240 nan 0.000 0.454 1283 Q N 0.383 120.239 119.800 0.093 0.000 2.030 1283 Q HA -0.101 4.239 4.340 0.000 0.000 0.204 1283 Q C -0.147 175.986 176.000 0.221 0.000 0.986 1283 Q CA 1.216 57.089 55.803 0.116 0.000 0.843 1283 Q CB -0.149 28.634 28.738 0.076 0.000 0.904 1283 Q HN 0.704 nan 8.270 nan 0.000 0.420 1284 Y N 1.202 121.530 120.300 0.047 0.000 2.350 1284 Y HA 0.436 4.986 4.550 0.000 0.000 0.338 1284 Y C -2.243 173.703 175.900 0.076 0.000 0.961 1284 Y CA -2.431 55.709 58.100 0.067 0.000 1.100 1284 Y CB 2.002 40.510 38.460 0.079 0.000 1.179 1284 Y HN 0.124 nan 8.280 nan 0.000 0.454 1285 P HA 0.257 nan 4.420 nan 0.000 0.286 1285 P C -0.899 176.462 177.300 0.102 0.000 1.292 1285 P CA -0.531 62.625 63.100 0.095 0.000 0.842 1285 P CB 1.289 33.010 31.700 0.035 0.000 1.207 1286 T N 1.181 115.745 114.554 0.016 0.000 2.946 1286 T HA 0.163 4.513 4.350 0.000 0.000 0.311 1286 T C 0.015 174.721 174.700 0.010 0.000 1.063 1286 T CA 0.862 62.907 62.100 -0.092 0.000 1.139 1286 T CB -0.630 68.188 68.868 -0.083 0.000 0.994 1286 T HN 0.322 nan 8.240 nan 0.000 0.547 1287 Y N -1.314 118.949 120.300 -0.062 0.000 2.602 1287 Y HA 0.679 5.229 4.550 0.000 0.000 0.342 1287 Y C 0.081 175.907 175.900 -0.123 0.000 1.029 1287 Y CA -1.555 56.487 58.100 -0.097 0.000 1.080 1287 Y CB 0.827 39.217 38.460 -0.116 0.000 1.284 1287 Y HN 0.388 nan 8.280 nan 0.000 0.485 1288 T N 3.529 118.129 114.554 0.076 0.000 2.733 1288 T HA 0.447 4.797 4.350 0.000 0.000 0.294 1288 T C -0.311 174.365 174.700 -0.039 0.000 0.956 1288 T CA -0.522 61.543 62.100 -0.058 0.000 0.987 1288 T CB 0.084 68.908 68.868 -0.073 0.000 0.920 1288 T HN 0.445 nan 8.240 nan 0.000 0.470 1289 L N 6.248 127.377 121.223 -0.156 0.000 2.334 1289 L HA 0.425 4.765 4.340 0.000 0.000 0.277 1289 L C -1.620 175.158 176.870 -0.155 0.000 1.075 1289 L CA -2.340 52.352 54.840 -0.246 0.000 0.804 1289 L CB 1.127 42.806 42.059 -0.634 0.000 1.174 1289 L HN 0.367 nan 8.230 nan 0.000 0.438 1290 P HA 0.005 nan 4.420 nan 0.000 0.288 1290 P C -0.783 176.562 177.300 0.075 0.000 1.291 1290 P CA -0.540 62.577 63.100 0.027 0.000 0.766 1290 P CB 0.401 32.141 31.700 0.066 0.000 1.242 1291 A N -0.205 122.649 122.820 0.056 0.000 2.618 1291 A HA 0.468 4.788 4.320 0.000 0.000 0.293 1291 A C 0.745 178.377 177.584 0.080 0.000 1.413 1291 A CA 0.825 52.900 52.037 0.063 0.000 1.074 1291 A CB -1.948 17.077 19.000 0.041 0.000 1.087 1291 A HN 0.718 nan 8.150 nan 0.000 0.553 1292 G N 0.408 109.292 108.800 0.141 0.000 2.691 1292 G HA2 0.475 4.435 3.960 0.000 0.000 0.298 1292 G HA3 0.475 4.435 3.960 0.000 0.000 0.298 1292 G C -1.309 173.648 174.900 0.094 0.000 1.471 1292 G CA -0.552 44.583 45.100 0.058 0.000 0.912 1292 G HN 0.704 nan 8.290 nan 0.000 0.553 1293 V N 1.875 121.630 119.914 -0.265 0.000 2.348 1293 V HA 0.467 4.587 4.120 0.000 0.000 0.270 1293 V C -0.972 174.673 176.094 -0.749 0.000 1.037 1293 V CA -0.485 61.620 62.300 -0.326 0.000 0.872 1293 V CB 0.067 31.728 31.823 -0.269 0.000 1.002 1293 V HN 0.558 nan 8.190 nan 0.000 0.464 1294 Y N 2.085 122.075 120.300 -0.516 0.000 2.331 1294 Y HA 0.484 5.034 4.550 0.000 0.000 0.334 1294 Y C 0.388 176.054 175.900 -0.388 0.000 0.960 1294 Y CA -1.396 56.523 58.100 -0.301 0.000 1.130 1294 Y CB 1.473 39.950 38.460 0.028 0.000 1.164 1294 Y HN 0.604 nan 8.280 nan 0.000 0.458 1295 E N 2.498 122.623 120.200 -0.125 0.000 2.161 1295 E HA -0.004 4.346 4.350 0.000 0.000 0.263 1295 E C -1.221 175.457 176.600 0.130 0.000 1.185 1295 E CA 0.041 56.429 56.400 -0.020 0.000 0.938 1295 E CB -0.200 29.495 29.700 -0.009 0.000 1.023 1295 E HN 0.449 nan 8.360 nan 0.000 0.433 1296 Y N 3.592 123.933 120.300 0.068 0.000 2.601 1296 Y HA 0.113 4.663 4.550 0.000 0.000 0.350 1296 Y C -0.040 175.894 175.900 0.057 0.000 1.230 1296 Y CA -0.245 57.876 58.100 0.034 0.000 1.733 1296 Y CB -0.086 38.359 38.460 -0.025 0.000 1.497 1296 Y HN 0.254 nan 8.280 nan 0.000 0.472 1297 V N 3.467 123.513 119.914 0.220 0.000 2.623 1297 V HA 0.469 4.589 4.120 0.000 0.000 0.304 1297 V C 0.026 176.301 176.094 0.301 0.000 1.054 1297 V CA -1.591 60.934 62.300 0.376 0.000 0.882 1297 V CB 0.624 32.639 31.823 0.320 0.000 1.002 1297 V HN 0.458 nan 8.190 nan 0.000 0.424 1298 I N 1.128 121.902 120.570 0.340 0.000 3.576 1298 I HA 0.427 4.597 4.170 0.000 0.000 0.231 1298 I C 0.653 176.631 176.117 -0.231 0.000 1.331 1298 I CA 0.249 61.580 61.300 0.051 0.000 1.063 1298 I CB -0.241 37.782 38.000 0.038 0.000 1.517 1298 I HN 0.718 nan 8.210 nan 0.000 0.817 1299 E N 0.000 119.994 120.200 -0.344 0.000 2.725 1299 E HA 0.000 4.350 4.350 0.000 0.000 0.291 1299 E CA 0.000 56.114 56.400 -0.477 0.000 0.976 1299 E CB 0.000 29.494 29.700 -0.343 0.000 0.812 1299 E HN 0.000 nan 8.360 nan 0.000 0.440