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 1h0h_1_K DATA FIRST_RESID 1 DATA SEQUENCE ATMALKTVDA KQTTSVCCYC SVGCGLIVHT DKKTNRAINV EGDPDHPINE DATA SEQUENCE GSLCAKGAST WQLAENERRP ANPLYRAPGS DQWEEKSWDW MLDTIAERVA DATA SEQUENCE KTREATFVTK NAKGQVVNRC DGIASVGSAA MDNEECWIYQ AWLRSLGLFY DATA SEQUENCE IEHQARIXHS ATVAALAESY GRGAMTNHWI DLKNSDVILM MGSNPAENHP DATA SEQUENCE ISFKWVMRAK DKGATLIHVD PRYTRTSTKC DLYAPLRSGS DIAFLNGMTK DATA SEQUENCE YILEKELYFK DYVVNYTNAS FIVGEGFAFE EGLFAGYNKE TRKYDKSKWG DATA SEQUENCE FERDENGNPK RDETLKHPRC VFQIMKKHYE RYDLDKISAI CGTPKELILK DATA SEQUENCE VYDAYCATGK PDKAGTIMYA MGWTQHTVGV QNIRAMSINQ LLLGNIGVAG DATA SEQUENCE GGVNALRGEA NVQGSTDHGL LMHIYPGYLG TARASIPTYE EYTKKFTPVS DATA SEQUENCE KDPQSANWWS NFPKYSASYI KSMWPDADLN EAYGYLPKGE DGKDYSWLTL DATA SEQUENCE FDDMFQGKIK GFFAWGQNPA CSGANSNKTR EALTKLDWMV NVNIFDNETG DATA SEQUENCE SFWRGPDMDP KKIKTEVFFL PCAVAIEKEG SISNSGRWMQ WRYVGPEPRK DATA SEQUENCE NAIPDGDLIV ELAKRVQKLL AKTPGKLAAP VTKLKTDYWV NDHGHFDPHK DATA SEQUENCE IAKLINGFAL KDFKVGDVEY KAGQQIATFG HLQADGSTTS GCWIYTGSYT DATA SEQUENCE EKGNMAARRD KTQTDMQAKI GLYPGWTWAW PVNRRIIYNR ASVDLNGKPY DATA SEQUENCE APEKAVVEWN AAEKKWVGDV PDGPWPPQAD KEKGKRAFIM KPEGYAYLYG DATA SEQUENCE PGREDGPLPE YYEPMEcPVI EHPFSKTLHN PTALHFATEE KAVcDPRYPF DATA SEQUENCE ICSTYRVTEH WQTGLMTRNT PWLLEAEPQM FCEMSEELAT LRGIKNGDKV DATA SEQUENCE ILESVRGKLW AKAIITKRIK PFAIQGQQVH MVGIPWHYGW SFPKNGGDAA DATA SEQUENCE NILTPSVGNP NTGIPETKAF MVNVTKA 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 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.579 177.584 -0.008 0.000 1.274 1 A CA 0.000 52.032 52.037 -0.007 0.000 0.836 1 A CB 0.000 18.996 19.000 -0.006 0.000 0.831 2 T N 1.218 115.768 114.554 -0.007 0.000 3.284 2 T HA 0.446 4.790 4.350 -0.009 0.000 0.249 2 T C 0.412 175.107 174.700 -0.008 0.000 0.944 2 T CA 0.176 62.272 62.100 -0.006 0.000 0.919 2 T CB -1.442 67.423 68.868 -0.004 0.000 1.089 2 T HN 0.366 nan 8.240 nan 0.000 0.576 3 M N 2.376 121.969 119.600 -0.011 0.000 2.210 3 M HA -0.014 4.461 4.480 -0.009 0.000 0.428 3 M C 0.645 176.936 176.300 -0.016 0.000 1.344 3 M CA 0.315 55.606 55.300 -0.014 0.000 0.770 3 M CB 0.064 32.654 32.600 -0.018 0.000 1.960 3 M HN 0.504 nan 8.290 nan 0.000 0.521 4 A N 5.472 128.283 122.820 -0.016 0.000 2.293 4 A HA 0.723 5.037 4.320 -0.009 0.000 0.302 4 A C -0.530 177.037 177.584 -0.028 0.000 1.119 4 A CA -0.778 51.248 52.037 -0.018 0.000 0.823 4 A CB 0.682 19.674 19.000 -0.013 0.000 1.097 4 A HN 0.817 nan 8.150 nan 0.000 0.491 5 L N 1.416 122.618 121.223 -0.035 0.000 2.350 5 L HA 0.224 4.558 4.340 -0.009 0.000 0.275 5 L C 1.634 178.470 176.870 -0.056 0.000 1.099 5 L CA -0.486 54.321 54.840 -0.054 0.000 0.808 5 L CB 1.542 43.559 42.059 -0.071 0.000 1.149 5 L HN 1.060 nan 8.230 nan 0.000 0.442 6 K N -0.471 119.891 120.400 -0.065 0.000 2.442 6 K HA -0.122 4.193 4.320 -0.009 0.000 0.199 6 K C 1.045 177.611 176.600 -0.056 0.000 1.044 6 K CA 1.626 57.881 56.287 -0.053 0.000 0.941 6 K CB -0.349 32.116 32.500 -0.059 0.000 0.759 6 K HN 0.745 nan 8.250 nan 0.000 0.472 7 T N -2.569 111.921 114.554 -0.107 0.000 3.054 7 T HA 0.113 4.458 4.350 -0.009 0.000 0.255 7 T C 1.580 176.243 174.700 -0.062 0.000 1.035 7 T CA 0.042 62.054 62.100 -0.146 0.000 0.941 7 T CB 0.476 69.051 68.868 -0.488 0.000 1.026 7 T HN 0.082 nan 8.240 nan 0.000 0.533 8 V N 2.451 122.344 119.914 -0.035 0.000 2.278 8 V HA -0.190 3.925 4.120 -0.009 0.000 0.251 8 V C 1.191 177.307 176.094 0.036 0.000 1.062 8 V CA 2.337 64.636 62.300 -0.001 0.000 1.038 8 V CB -0.391 31.431 31.823 -0.003 0.000 0.646 8 V HN 0.494 nan 8.190 nan 0.000 0.447 9 D N 0.087 120.512 120.400 0.042 0.000 2.388 9 D HA 0.356 4.991 4.640 -0.009 0.000 0.221 9 D C 0.483 176.830 176.300 0.077 0.000 1.133 9 D CA 0.697 54.729 54.000 0.053 0.000 0.831 9 D CB 0.419 41.242 40.800 0.039 0.000 0.962 9 D HN 0.589 nan 8.370 nan 0.000 0.502 10 A N 0.853 123.744 122.820 0.119 0.000 2.304 10 A HA 0.248 4.563 4.320 -0.009 0.000 0.271 10 A C 0.546 178.219 177.584 0.147 0.000 1.091 10 A CA -0.460 51.670 52.037 0.155 0.000 0.812 10 A CB 0.880 20.015 19.000 0.225 0.000 1.056 10 A HN -0.002 nan 8.150 nan 0.000 0.489 11 K N 1.215 121.669 120.400 0.091 0.000 2.339 11 K HA 0.128 4.443 4.320 -0.009 0.000 0.286 11 K C -0.180 176.392 176.600 -0.048 0.000 1.050 11 K CA -0.003 56.302 56.287 0.031 0.000 0.956 11 K CB 0.338 32.851 32.500 0.021 0.000 0.990 11 K HN 0.760 nan 8.250 nan 0.000 0.475 12 Q N 3.481 123.203 119.800 -0.130 0.000 2.290 12 Q HA 0.208 4.543 4.340 -0.009 0.000 0.259 12 Q C -1.099 174.790 176.000 -0.185 0.000 0.941 12 Q CA -0.515 55.080 55.803 -0.346 0.000 0.912 12 Q CB 1.360 29.862 28.738 -0.393 0.000 1.244 12 Q HN 0.825 nan 8.270 nan 0.000 0.441 13 T N -0.137 114.326 114.554 -0.152 0.000 2.887 13 T HA 0.658 5.003 4.350 -0.009 0.000 0.292 13 T C -0.091 174.615 174.700 0.011 0.000 1.087 13 T CA -0.694 61.367 62.100 -0.064 0.000 1.009 13 T CB 1.539 70.410 68.868 0.004 0.000 1.203 13 T HN 0.591 nan 8.240 nan 0.000 0.518 14 T N -1.482 113.135 114.554 0.105 0.000 2.945 14 T HA 0.803 5.148 4.350 -0.009 0.000 0.286 14 T C -0.058 174.798 174.700 0.259 0.000 1.025 14 T CA -0.700 61.519 62.100 0.199 0.000 1.039 14 T CB 1.604 70.627 68.868 0.260 0.000 1.068 14 T HN 0.914 nan 8.240 nan 0.000 0.497 15 S N -0.349 115.473 115.700 0.203 0.000 2.752 15 S HA 0.726 5.191 4.470 -0.009 0.000 0.284 15 S C -1.893 172.792 174.600 0.141 0.000 1.189 15 S CA -0.673 57.615 58.200 0.147 0.000 0.835 15 S CB 1.379 64.629 63.200 0.083 0.000 1.192 15 S HN 0.854 nan 8.310 nan 0.000 0.506 16 V N 1.249 121.213 119.914 0.082 0.000 2.686 16 V HA 0.438 4.552 4.120 -0.009 0.000 0.306 16 V C 0.360 176.453 176.094 -0.001 0.000 1.065 16 V CA -1.069 61.271 62.300 0.067 0.000 0.894 16 V CB 1.154 33.051 31.823 0.124 0.000 1.004 16 V HN 1.118 nan 8.190 nan 0.000 0.424 17 C N 4.922 124.204 119.300 -0.030 0.000 2.550 17 C HA 0.017 4.472 4.460 -0.009 0.000 0.406 17 C C 1.928 176.834 174.990 -0.140 0.000 1.366 17 C CA 0.600 59.574 59.018 -0.074 0.000 1.712 17 C CB -0.905 26.800 27.740 -0.058 0.000 2.613 17 C HN 1.231 nan 8.230 nan 0.000 0.608 18 C N 4.790 123.911 119.300 -0.299 0.000 2.754 18 C HA 0.366 4.820 4.460 -0.009 0.000 0.276 18 C C 1.061 175.666 174.990 -0.641 0.000 1.264 18 C CA -0.419 58.362 59.018 -0.393 0.000 1.700 18 C CB -2.121 25.360 27.740 -0.433 0.000 1.885 18 C HN 0.910 nan 8.230 nan 0.000 0.607 19 Y N 2.022 122.026 120.300 -0.494 0.000 2.762 19 Y HA 0.303 4.847 4.550 -0.009 0.000 0.218 19 Y C 2.180 177.554 175.900 -0.877 0.000 0.960 19 Y CA 0.382 57.796 58.100 -1.145 0.000 1.070 19 Y CB -1.294 36.543 38.460 -1.039 0.000 1.045 19 Y HN 0.502 nan 8.280 nan 0.000 0.466 20 C N 0.248 119.380 119.300 -0.280 0.000 2.470 20 C HA 0.386 4.841 4.460 -0.009 0.000 0.350 20 C C 1.881 177.005 174.990 0.222 0.000 1.341 20 C CA -0.149 58.975 59.018 0.176 0.000 2.440 20 C CB 0.331 28.175 27.740 0.173 0.000 2.295 20 C HN 0.675 nan 8.230 nan 0.000 0.645 21 S N 0.194 116.140 115.700 0.409 0.000 2.660 21 S HA -0.029 4.436 4.470 -0.009 0.000 0.223 21 S C 1.144 175.981 174.600 0.394 0.000 0.963 21 S CA 0.744 59.215 58.200 0.452 0.000 0.932 21 S CB -0.708 62.853 63.200 0.601 0.000 0.775 21 S HN 0.789 nan 8.310 nan 0.000 0.531 22 V N 1.511 121.418 119.914 -0.011 0.000 2.407 22 V HA 0.078 4.193 4.120 -0.009 0.000 0.248 22 V C 2.107 178.041 176.094 -0.268 0.000 1.055 22 V CA 1.475 63.385 62.300 -0.649 0.000 1.049 22 V CB -1.679 29.651 31.823 -0.822 0.000 0.662 22 V HN 0.848 nan 8.190 nan 0.000 0.455 23 G N -0.929 107.825 108.800 -0.077 0.000 2.171 23 G HA2 -0.250 3.705 3.960 -0.009 0.000 0.238 23 G HA3 -0.250 3.705 3.960 -0.009 0.000 0.238 23 G C 0.097 174.899 174.900 -0.163 0.000 1.039 23 G CA -0.105 44.993 45.100 -0.002 0.000 0.759 23 G HN 0.506 nan 8.290 nan 0.000 0.501 24 C N 0.681 119.841 119.300 -0.233 0.000 2.611 24 C HA 0.525 4.980 4.460 -0.009 0.000 0.416 24 C C 1.693 176.480 174.990 -0.339 0.000 1.366 24 C CA 0.344 59.153 59.018 -0.349 0.000 1.761 24 C CB 0.071 27.694 27.740 -0.194 0.000 2.619 24 C HN 0.955 nan 8.230 nan 0.000 0.606 25 G N 2.902 111.389 108.800 -0.523 0.000 2.444 25 G HA2 0.542 4.496 3.960 -0.009 0.000 0.268 25 G HA3 0.542 4.496 3.960 -0.009 0.000 0.268 25 G C -0.769 174.156 174.900 0.042 0.000 1.203 25 G CA -0.435 44.617 45.100 -0.079 0.000 0.835 25 G HN 0.714 nan 8.290 nan 0.000 0.543 26 L N 1.543 122.834 121.223 0.113 0.000 2.341 26 L HA 0.534 4.868 4.340 -0.009 0.000 0.267 26 L C -0.491 176.461 176.870 0.136 0.000 1.009 26 L CA -1.115 53.789 54.840 0.106 0.000 0.819 26 L CB 2.204 44.315 42.059 0.087 0.000 1.323 26 L HN 0.203 nan 8.230 nan 0.000 0.425 27 I N 2.364 123.009 120.570 0.125 0.000 2.433 27 I HA 0.455 4.620 4.170 -0.009 0.000 0.292 27 I C -0.387 175.792 176.117 0.102 0.000 1.001 27 I CA -0.584 60.778 61.300 0.104 0.000 1.119 27 I CB 2.099 40.174 38.000 0.125 0.000 1.289 27 I HN 0.183 nan 8.210 nan 0.000 0.438 28 V N 6.023 125.953 119.914 0.027 0.000 2.495 28 V HA 0.387 4.501 4.120 -0.009 0.000 0.298 28 V C -0.822 175.222 176.094 -0.084 0.000 1.031 28 V CA -0.701 61.634 62.300 0.058 0.000 0.871 28 V CB 1.931 33.797 31.823 0.072 0.000 0.988 28 V HN 0.633 nan 8.190 nan 0.000 0.432 29 H N 1.341 120.477 119.070 0.110 0.000 2.511 29 H HA 0.661 5.212 4.556 -0.009 0.000 0.328 29 H C -0.233 175.161 175.328 0.110 0.000 1.044 29 H CA -0.153 55.952 56.048 0.095 0.000 1.212 29 H CB 1.686 31.497 29.762 0.081 0.000 1.428 29 H HN 0.653 nan 8.280 nan 0.000 0.483 30 T N 2.947 117.597 114.554 0.161 0.000 2.824 30 T HA 0.071 4.416 4.350 -0.009 0.000 0.282 30 T C -0.447 174.322 174.700 0.114 0.000 0.993 30 T CA -0.917 61.259 62.100 0.126 0.000 0.967 30 T CB 1.266 70.179 68.868 0.075 0.000 0.960 30 T HN 0.577 nan 8.240 nan 0.000 0.441 31 D N 2.158 122.626 120.400 0.112 0.000 2.417 31 D HA 0.067 4.702 4.640 -0.009 0.000 0.250 31 D C 0.896 177.235 176.300 0.065 0.000 1.166 31 D CA 0.091 54.145 54.000 0.090 0.000 0.881 31 D CB 0.943 41.797 40.800 0.090 0.000 1.164 31 D HN 0.435 nan 8.370 nan 0.000 0.467 32 K N 2.680 123.113 120.400 0.056 0.000 2.217 32 K HA -0.084 4.230 4.320 -0.009 0.000 0.202 32 K C 1.702 178.322 176.600 0.034 0.000 1.051 32 K CA 0.846 57.158 56.287 0.042 0.000 0.952 32 K CB 0.444 32.966 32.500 0.037 0.000 0.736 32 K HN 0.395 nan 8.250 nan 0.000 0.453 33 K N -0.073 120.349 120.400 0.037 0.000 2.098 33 K HA -0.043 4.271 4.320 -0.009 0.000 0.203 33 K C 2.224 178.842 176.600 0.030 0.000 1.051 33 K CA 1.633 57.938 56.287 0.030 0.000 0.957 33 K CB -0.008 32.510 32.500 0.031 0.000 0.738 33 K HN 0.187 nan 8.250 nan 0.000 0.447 34 T N -1.329 113.247 114.554 0.038 0.000 3.054 34 T HA 0.024 4.369 4.350 -0.009 0.000 0.259 34 T C 0.628 175.345 174.700 0.028 0.000 1.092 34 T CA 0.091 62.212 62.100 0.035 0.000 1.121 34 T CB -0.123 68.773 68.868 0.047 0.000 0.912 34 T HN 0.108 nan 8.240 nan 0.000 0.489 35 N N 1.162 119.882 118.700 0.032 0.000 2.741 35 N HA -0.121 4.614 4.740 -0.009 0.000 0.251 35 N C -0.783 174.740 175.510 0.022 0.000 1.112 35 N CA 0.705 53.770 53.050 0.025 0.000 0.750 35 N CB -0.756 37.737 38.487 0.010 0.000 1.119 35 N HN 0.447 nan 8.380 nan 0.000 0.561 36 R N 0.430 120.954 120.500 0.039 0.000 2.668 36 R HA 0.706 5.041 4.340 -0.009 0.000 0.279 36 R C 0.378 176.731 176.300 0.090 0.000 0.976 36 R CA -0.592 55.528 56.100 0.034 0.000 0.978 36 R CB 0.716 31.037 30.300 0.035 0.000 1.133 36 R HN 0.173 nan 8.270 nan 0.000 0.484 37 A N 2.084 124.952 122.820 0.079 0.000 2.477 37 A HA 0.261 4.576 4.320 -0.009 0.000 0.246 37 A C 1.272 179.119 177.584 0.438 0.000 1.078 37 A CA -0.077 52.082 52.037 0.203 0.000 0.770 37 A CB -0.275 18.809 19.000 0.141 0.000 1.011 37 A HN 0.846 nan 8.150 nan 0.000 0.494 38 I N -1.428 119.387 120.570 0.408 0.000 4.227 38 I HA 0.439 4.604 4.170 -0.009 0.000 0.334 38 I C 0.170 176.416 176.117 0.216 0.000 1.341 38 I CA -0.103 61.418 61.300 0.369 0.000 1.123 38 I CB 0.168 38.288 38.000 0.199 0.000 1.097 38 I HN 0.514 nan 8.210 nan 0.000 0.399 39 N N 0.024 118.918 118.700 0.322 0.000 2.647 39 N HA 0.561 5.296 4.740 -0.009 0.000 0.259 39 N C -1.883 173.816 175.510 0.315 0.000 1.098 39 N CA -0.351 52.825 53.050 0.210 0.000 0.984 39 N CB 2.618 41.161 38.487 0.093 0.000 1.683 39 N HN -0.036 nan 8.380 nan 0.000 0.501 40 V N 2.438 122.520 119.914 0.280 0.000 2.612 40 V HA 0.587 4.702 4.120 -0.009 0.000 0.301 40 V C -0.571 175.629 176.094 0.175 0.000 1.059 40 V CA -0.562 61.886 62.300 0.248 0.000 0.886 40 V CB 1.429 33.419 31.823 0.278 0.000 1.007 40 V HN 0.838 nan 8.190 nan 0.000 0.426 41 E N 2.909 123.195 120.200 0.143 0.000 2.442 41 E HA 0.732 5.077 4.350 -0.009 0.000 0.271 41 E C -0.022 176.629 176.600 0.085 0.000 1.002 41 E CA -0.973 55.482 56.400 0.091 0.000 0.864 41 E CB 1.772 31.510 29.700 0.064 0.000 1.573 41 E HN 0.689 nan 8.360 nan 0.000 0.456 42 G N 0.063 108.897 108.800 0.055 0.000 2.527 42 G HA2 0.195 4.150 3.960 -0.009 0.000 0.248 42 G HA3 0.195 4.150 3.960 -0.009 0.000 0.248 42 G C -0.681 174.266 174.900 0.080 0.000 1.231 42 G CA -0.164 44.965 45.100 0.049 0.000 0.838 42 G HN 0.445 nan 8.290 nan 0.000 0.570 43 D N 1.774 122.235 120.400 0.100 0.000 2.380 43 D HA 0.212 4.847 4.640 -0.009 0.000 0.230 43 D C -1.011 175.367 176.300 0.129 0.000 1.154 43 D CA -2.346 51.743 54.000 0.149 0.000 0.859 43 D CB 1.759 42.700 40.800 0.235 0.000 1.045 43 D HN 0.062 nan 8.370 nan 0.000 0.495 44 P HA -0.074 nan 4.420 nan 0.000 0.225 44 P C 0.339 177.678 177.300 0.065 0.000 1.148 44 P CA 0.644 63.785 63.100 0.069 0.000 0.779 44 P CB 0.621 32.358 31.700 0.061 0.000 0.780 45 D N -2.209 118.252 120.400 0.101 0.000 2.333 45 D HA -0.048 4.587 4.640 -0.009 0.000 0.208 45 D C 0.851 177.071 176.300 -0.133 0.000 0.984 45 D CA 0.394 54.434 54.000 0.067 0.000 0.873 45 D CB -0.575 40.341 40.800 0.194 0.000 0.935 45 D HN 0.262 nan 8.370 nan 0.000 0.521 46 H N 2.583 121.557 119.070 -0.159 0.000 2.929 46 H HA 0.007 4.558 4.556 -0.009 0.000 0.317 46 H C -1.475 173.538 175.328 -0.526 0.000 1.031 46 H CA -0.993 54.793 56.048 -0.437 0.000 1.466 46 H CB 1.666 31.395 29.762 -0.055 0.000 1.482 46 H HN -0.070 nan 8.280 nan 0.000 0.561 47 P HA -0.099 nan 4.420 nan 0.000 0.223 47 P C 1.604 178.868 177.300 -0.061 0.000 1.151 47 P CA 0.859 63.570 63.100 -0.647 0.000 0.787 47 P CB 0.539 31.395 31.700 -1.406 0.000 0.788 48 I N 1.043 121.729 120.570 0.193 0.000 2.235 48 I HA -0.139 4.026 4.170 -0.009 0.000 0.241 48 I C 2.206 178.536 176.117 0.355 0.000 1.085 48 I CA 1.608 63.059 61.300 0.251 0.000 1.378 48 I CB -0.552 37.496 38.000 0.080 0.000 1.076 48 I HN 0.057 nan 8.210 nan 0.000 0.415 49 N N 0.572 119.354 118.700 0.138 0.000 2.322 49 N HA -0.090 4.645 4.740 -0.009 0.000 0.181 49 N C 0.236 175.755 175.510 0.015 0.000 1.088 49 N CA 0.291 53.359 53.050 0.030 0.000 0.885 49 N CB -0.149 38.288 38.487 -0.082 0.000 1.013 49 N HN 0.324 nan 8.380 nan 0.000 0.472 50 E N -0.109 120.122 120.200 0.050 0.000 2.539 50 E HA -0.236 4.109 4.350 -0.009 0.000 0.253 50 E C 0.644 177.249 176.600 0.008 0.000 1.145 50 E CA 0.429 56.840 56.400 0.019 0.000 0.738 50 E CB -1.867 27.830 29.700 -0.005 0.000 1.308 50 E HN 0.658 nan 8.360 nan 0.000 0.409 51 G N -1.082 107.729 108.800 0.018 0.000 2.217 51 G HA2 -0.347 3.608 3.960 -0.009 0.000 0.246 51 G HA3 -0.347 3.608 3.960 -0.009 0.000 0.246 51 G C 0.396 175.290 174.900 -0.011 0.000 0.990 51 G CA 0.155 45.264 45.100 0.016 0.000 0.627 51 G HN 0.447 nan 8.290 nan 0.000 0.522 52 S N 0.405 116.084 115.700 -0.034 0.000 2.592 52 S HA 0.759 5.224 4.470 -0.009 0.000 0.271 52 S C 0.069 174.638 174.600 -0.052 0.000 1.326 52 S CA -0.018 58.152 58.200 -0.050 0.000 1.024 52 S CB 1.678 64.835 63.200 -0.072 0.000 0.921 52 S HN 0.577 nan 8.310 nan 0.000 0.527 53 L N 0.989 122.181 121.223 -0.051 0.000 2.466 53 L HA 0.468 4.802 4.340 -0.009 0.000 0.258 53 L C 0.173 177.008 176.870 -0.059 0.000 0.973 53 L CA -1.115 53.695 54.840 -0.050 0.000 0.826 53 L CB 1.849 43.893 42.059 -0.025 0.000 1.372 53 L HN 0.944 nan 8.230 nan 0.000 0.409 54 C N -0.076 119.184 119.300 -0.067 0.000 2.574 54 C HA 0.654 5.109 4.460 -0.009 0.000 0.335 54 C C 2.079 177.022 174.990 -0.079 0.000 1.493 54 C CA 0.209 59.181 59.018 -0.077 0.000 2.217 54 C CB 0.624 28.312 27.740 -0.087 0.000 2.056 54 C HN 1.012 nan 8.230 nan 0.000 0.607 55 A N 0.844 123.608 122.820 -0.094 0.000 1.917 55 A HA -0.168 4.146 4.320 -0.009 0.000 0.219 55 A C 2.234 179.764 177.584 -0.091 0.000 1.182 55 A CA 2.292 54.274 52.037 -0.092 0.000 0.633 55 A CB -0.858 18.075 19.000 -0.111 0.000 0.819 55 A HN 0.941 nan 8.150 nan 0.000 0.448 56 K N -1.173 119.129 120.400 -0.164 0.000 2.002 56 K HA -0.089 4.226 4.320 -0.009 0.000 0.209 56 K C 2.211 178.798 176.600 -0.023 0.000 1.048 56 K CA 1.163 57.286 56.287 -0.273 0.000 0.930 56 K CB -0.524 31.601 32.500 -0.625 0.000 0.714 56 K HN 0.468 nan 8.250 nan 0.000 0.438 57 G N 1.151 109.964 108.800 0.023 0.000 2.422 57 G HA2 -0.239 3.715 3.960 -0.009 0.000 0.218 57 G HA3 -0.239 3.715 3.960 -0.009 0.000 0.218 57 G C 1.609 176.567 174.900 0.097 0.000 1.146 57 G CA 0.883 46.039 45.100 0.094 0.000 0.769 57 G HN 0.352 nan 8.290 nan 0.000 0.547 58 A N 1.021 123.871 122.820 0.050 0.000 2.070 58 A HA 0.047 4.362 4.320 -0.009 0.000 0.220 58 A C 2.538 180.206 177.584 0.140 0.000 1.159 58 A CA 2.183 54.246 52.037 0.044 0.000 0.656 58 A CB -0.418 18.560 19.000 -0.036 0.000 0.800 58 A HN 0.748 nan 8.150 nan 0.000 0.453 59 S N -1.841 113.993 115.700 0.224 0.000 2.575 59 S HA -0.004 4.461 4.470 -0.009 0.000 0.215 59 S C 1.445 176.322 174.600 0.462 0.000 0.966 59 S CA 0.962 59.436 58.200 0.457 0.000 0.911 59 S CB -0.685 62.739 63.200 0.374 0.000 0.780 59 S HN 0.392 nan 8.310 nan 0.000 0.514 60 T N 1.274 116.034 114.554 0.343 0.000 2.685 60 T HA -0.194 4.151 4.350 -0.009 0.000 0.268 60 T C 1.035 175.894 174.700 0.265 0.000 1.034 60 T CA 1.861 64.118 62.100 0.262 0.000 1.149 60 T CB -0.585 68.389 68.868 0.175 0.000 0.860 60 T HN 0.786 nan 8.240 nan 0.000 0.449 61 W N 1.720 123.135 121.300 0.193 0.000 2.321 61 W HA -0.195 4.459 4.660 -0.009 0.000 0.306 61 W C 2.338 178.902 176.519 0.075 0.000 1.217 61 W CA 1.310 58.750 57.345 0.157 0.000 1.257 61 W CB -0.271 29.330 29.460 0.235 0.000 1.145 61 W HN 0.275 nan 8.180 nan 0.000 0.509 62 Q N -0.299 119.678 119.800 0.295 0.000 2.291 62 Q HA -0.194 4.141 4.340 -0.009 0.000 0.205 62 Q C 2.126 178.057 176.000 -0.115 0.000 0.970 62 Q CA 1.337 57.088 55.803 -0.086 0.000 0.876 62 Q CB -0.385 28.166 28.738 -0.313 0.000 0.935 62 Q HN 0.387 nan 8.270 nan 0.000 0.455 63 L N 0.187 121.413 121.223 0.005 0.000 2.027 63 L HA -0.085 4.250 4.340 -0.009 0.000 0.206 63 L C 2.068 178.890 176.870 -0.079 0.000 1.074 63 L CA 2.014 56.886 54.840 0.054 0.000 0.745 63 L CB -0.596 41.514 42.059 0.084 0.000 0.898 63 L HN 0.065 nan 8.230 nan 0.000 0.433 64 A N -1.048 121.662 122.820 -0.185 0.000 1.854 64 A HA -0.043 4.271 4.320 -0.009 0.000 0.214 64 A C 1.136 178.507 177.584 -0.356 0.000 1.192 64 A CA 0.930 52.812 52.037 -0.258 0.000 0.611 64 A CB -0.477 18.373 19.000 -0.251 0.000 0.832 64 A HN 0.440 nan 8.150 nan 0.000 0.442 65 E N 1.607 121.433 120.200 -0.623 0.000 1.892 65 E HA 0.179 4.524 4.350 -0.009 0.000 0.271 65 E C -0.996 175.317 176.600 -0.479 0.000 1.146 65 E CA -0.108 55.877 56.400 -0.692 0.000 1.096 65 E CB -0.380 28.494 29.700 -1.377 0.000 1.155 65 E HN 0.389 nan 8.360 nan 0.000 0.458 66 N N 1.558 120.105 118.700 -0.254 0.000 2.480 66 N HA 0.063 4.798 4.740 -0.009 0.000 0.289 66 N C 0.261 175.735 175.510 -0.060 0.000 1.073 66 N CA -0.192 52.783 53.050 -0.126 0.000 0.885 66 N CB 1.131 39.616 38.487 -0.003 0.000 1.421 66 N HN 0.072 nan 8.380 nan 0.000 0.503 67 E N 1.542 121.707 120.200 -0.058 0.000 2.418 67 E HA -0.009 4.335 4.350 -0.009 0.000 0.197 67 E C 0.730 177.314 176.600 -0.028 0.000 1.026 67 E CA 0.566 56.942 56.400 -0.041 0.000 0.862 67 E CB 0.427 30.106 29.700 -0.035 0.000 0.799 67 E HN 0.453 nan 8.360 nan 0.000 0.518 68 R N 0.921 121.414 120.500 -0.011 0.000 2.299 68 R HA 0.094 4.429 4.340 -0.009 0.000 0.197 68 R C 0.408 176.802 176.300 0.156 0.000 0.971 68 R CA 0.038 56.131 56.100 -0.011 0.000 1.030 68 R CB 0.087 30.253 30.300 -0.223 0.000 0.932 68 R HN -0.018 nan 8.270 nan 0.000 0.477 69 R N 2.139 122.715 120.500 0.126 0.000 2.370 69 R HA 0.107 4.442 4.340 -0.009 0.000 0.309 69 R C -2.338 173.956 176.300 -0.010 0.000 1.059 69 R CA -1.640 54.452 56.100 -0.014 0.000 0.981 69 R CB 0.124 30.328 30.300 -0.161 0.000 0.972 69 R HN -0.113 nan 8.270 nan 0.000 0.437 70 P HA -0.030 nan 4.420 nan 0.000 0.266 70 P C -0.026 177.273 177.300 -0.003 0.000 1.215 70 P CA 0.257 63.350 63.100 -0.011 0.000 0.763 70 P CB 1.165 32.860 31.700 -0.008 0.000 0.806 71 A N 4.047 126.853 122.820 -0.023 0.000 2.014 71 A HA -0.057 4.257 4.320 -0.009 0.000 0.218 71 A C 0.842 178.418 177.584 -0.013 0.000 1.163 71 A CA 1.225 53.256 52.037 -0.009 0.000 0.652 71 A CB -0.300 18.693 19.000 -0.011 0.000 0.808 71 A HN 0.533 nan 8.150 nan 0.000 0.449 72 N N -0.957 117.696 118.700 -0.077 0.000 2.312 72 N HA 0.420 5.155 4.740 -0.009 0.000 0.296 72 N C -3.248 172.085 175.510 -0.296 0.000 1.193 72 N CA -1.627 51.305 53.050 -0.197 0.000 0.773 72 N CB 1.117 39.502 38.487 -0.170 0.000 1.435 72 N HN -0.160 nan 8.380 nan 0.000 0.484 73 P HA 0.151 nan 4.420 nan 0.000 0.268 73 P C -0.641 176.519 177.300 -0.232 0.000 1.208 73 P CA 0.282 63.070 63.100 -0.521 0.000 0.777 73 P CB 0.612 31.823 31.700 -0.815 0.000 0.875 74 L N 2.388 123.534 121.223 -0.127 0.000 2.386 74 L HA 0.527 4.862 4.340 -0.009 0.000 0.271 74 L C -0.762 176.217 176.870 0.182 0.000 0.993 74 L CA -0.936 53.825 54.840 -0.132 0.000 0.819 74 L CB 1.627 43.212 42.059 -0.790 0.000 1.294 74 L HN 0.349 nan 8.230 nan 0.000 0.414 75 Y N 3.614 124.050 120.300 0.225 0.000 2.409 75 Y HA 0.572 5.117 4.550 -0.009 0.000 0.343 75 Y C -0.832 175.199 175.900 0.218 0.000 0.973 75 Y CA -0.827 57.392 58.100 0.199 0.000 1.064 75 Y CB 1.527 40.014 38.460 0.046 0.000 1.207 75 Y HN 0.484 nan 8.280 nan 0.000 0.452 76 R N 4.997 125.043 120.500 -0.757 0.000 2.409 76 R HA 0.742 5.077 4.340 -0.009 0.000 0.313 76 R C -1.364 174.119 176.300 -1.362 0.000 0.953 76 R CA -0.395 55.066 56.100 -1.064 0.000 0.849 76 R CB 1.075 30.475 30.300 -1.500 0.000 1.171 76 R HN 0.906 nan 8.270 nan 0.000 0.458 77 A N 5.708 127.912 122.820 -1.027 0.000 2.304 77 A HA 0.509 4.824 4.320 -0.009 0.000 0.271 77 A C -2.220 175.106 177.584 -0.429 0.000 1.091 77 A CA -1.579 50.103 52.037 -0.591 0.000 0.812 77 A CB 0.080 18.989 19.000 -0.151 0.000 1.056 77 A HN 0.514 nan 8.150 nan 0.000 0.489 78 P HA 0.154 nan 4.420 nan 0.000 0.260 78 P C 0.999 178.192 177.300 -0.178 0.000 1.172 78 P CA 2.241 65.239 63.100 -0.169 0.000 0.760 78 P CB 0.344 32.013 31.700 -0.052 0.000 0.773 79 G N 1.999 110.679 108.800 -0.201 0.000 2.179 79 G HA2 -0.267 3.688 3.960 -0.009 0.000 0.260 79 G HA3 -0.267 3.688 3.960 -0.009 0.000 0.260 79 G C 0.524 175.306 174.900 -0.197 0.000 0.977 79 G CA 0.269 45.273 45.100 -0.160 0.000 0.641 79 G HN 0.753 nan 8.290 nan 0.000 0.533 80 S N 0.736 116.248 115.700 -0.312 0.000 2.584 80 S HA 0.462 4.927 4.470 -0.009 0.000 0.273 80 S C 1.109 175.516 174.600 -0.323 0.000 1.311 80 S CA 0.518 58.527 58.200 -0.318 0.000 1.034 80 S CB 0.878 63.840 63.200 -0.398 0.000 0.939 80 S HN 0.496 nan 8.310 nan 0.000 0.513 81 D N 2.045 122.354 120.400 -0.153 0.000 2.388 81 D HA 0.108 4.743 4.640 -0.009 0.000 0.221 81 D C 0.177 176.533 176.300 0.094 0.000 1.133 81 D CA -0.097 53.910 54.000 0.011 0.000 0.831 81 D CB -0.186 40.619 40.800 0.009 0.000 0.962 81 D HN 0.714 nan 8.370 nan 0.000 0.502 82 Q N -1.806 117.951 119.800 -0.072 0.000 2.522 82 Q HA 0.391 4.726 4.340 -0.009 0.000 0.285 82 Q C -1.365 174.579 176.000 -0.093 0.000 0.982 82 Q CA -1.131 54.681 55.803 0.016 0.000 0.805 82 Q CB 0.505 29.274 28.738 0.052 0.000 1.457 82 Q HN 0.065 nan 8.270 nan 0.000 0.394 83 W N 1.091 122.463 121.300 0.119 0.000 2.150 83 W HA 0.297 4.952 4.660 -0.009 0.000 0.341 83 W C 0.303 176.810 176.519 -0.020 0.000 1.276 83 W CA 0.059 57.422 57.345 0.031 0.000 1.238 83 W CB 0.900 30.419 29.460 0.097 0.000 1.128 83 W HN 0.667 nan 8.180 nan 0.000 0.581 84 E N 1.899 122.269 120.200 0.283 0.000 2.224 84 E HA 0.174 4.519 4.350 -0.009 0.000 0.265 84 E C -0.972 175.678 176.600 0.084 0.000 0.878 84 E CA -0.615 55.863 56.400 0.130 0.000 0.759 84 E CB 1.088 30.831 29.700 0.070 0.000 1.164 84 E HN 0.412 nan 8.360 nan 0.000 0.414 85 E N 3.101 123.303 120.200 0.004 0.000 2.384 85 E HA 0.141 4.486 4.350 -0.009 0.000 0.266 85 E C -0.509 176.012 176.600 -0.132 0.000 1.012 85 E CA 0.051 56.411 56.400 -0.067 0.000 0.901 85 E CB 0.872 30.526 29.700 -0.076 0.000 0.967 85 E HN 0.244 nan 8.360 nan 0.000 0.435 86 K N 0.846 121.148 120.400 -0.163 0.000 2.482 86 K HA 0.279 4.594 4.320 -0.009 0.000 0.257 86 K C -0.504 175.999 176.600 -0.161 0.000 0.969 86 K CA -0.710 55.445 56.287 -0.220 0.000 0.842 86 K CB 1.892 34.254 32.500 -0.231 0.000 1.359 86 K HN 0.626 nan 8.250 nan 0.000 0.441 87 S N -0.617 115.038 115.700 -0.075 0.000 2.593 87 S HA 0.151 4.616 4.470 -0.009 0.000 0.269 87 S C 0.935 175.581 174.600 0.077 0.000 1.334 87 S CA -0.366 57.836 58.200 0.004 0.000 1.015 87 S CB 0.389 63.642 63.200 0.090 0.000 0.912 87 S HN 0.688 nan 8.310 nan 0.000 0.541 88 W N 0.723 122.074 121.300 0.086 0.000 2.338 88 W HA -0.077 4.578 4.660 -0.008 0.000 0.304 88 W C 1.867 178.440 176.519 0.089 0.000 1.212 88 W CA 1.045 58.434 57.345 0.073 0.000 1.264 88 W CB -0.228 29.250 29.460 0.030 0.000 1.142 88 W HN 0.712 nan 8.180 nan 0.000 0.512 89 D N -1.274 119.322 120.400 0.327 0.000 2.117 89 D HA -0.216 4.418 4.640 -0.009 0.000 0.197 89 D C 1.569 177.986 176.300 0.195 0.000 0.987 89 D CA 1.303 55.432 54.000 0.215 0.000 0.829 89 D CB -1.024 39.871 40.800 0.159 0.000 0.961 89 D HN 0.239 nan 8.370 nan 0.000 0.460 90 W N 1.048 122.373 121.300 0.042 0.000 2.355 90 W HA -0.186 4.469 4.660 -0.009 0.000 0.309 90 W C 2.198 178.721 176.519 0.007 0.000 1.206 90 W CA 1.318 58.664 57.345 0.001 0.000 1.284 90 W CB -0.075 29.366 29.460 -0.032 0.000 1.145 90 W HN -0.169 nan 8.180 nan 0.000 0.502 91 M N 0.039 119.872 119.600 0.388 0.000 2.086 91 M HA -0.193 4.282 4.480 -0.009 0.000 0.261 91 M C 2.145 178.453 176.300 0.014 0.000 1.067 91 M CA 1.638 57.095 55.300 0.262 0.000 1.116 91 M CB -1.769 31.005 32.600 0.290 0.000 1.348 91 M HN 0.163 nan 8.290 nan 0.000 0.407 92 L N -0.205 121.076 121.223 0.097 0.000 2.046 92 L HA -0.231 4.104 4.340 -0.009 0.000 0.208 92 L C 2.135 178.955 176.870 -0.083 0.000 1.077 92 L CA 1.030 55.893 54.840 0.038 0.000 0.747 92 L CB -0.766 41.356 42.059 0.105 0.000 0.896 92 L HN 0.260 nan 8.230 nan 0.000 0.432 93 D N -0.741 119.589 120.400 -0.117 0.000 2.144 93 D HA -0.124 4.511 4.640 -0.009 0.000 0.200 93 D C 2.203 178.318 176.300 -0.308 0.000 0.978 93 D CA 1.448 55.341 54.000 -0.178 0.000 0.833 93 D CB -0.108 40.592 40.800 -0.166 0.000 0.961 93 D HN 0.230 nan 8.370 nan 0.000 0.470 94 T N 1.015 115.275 114.554 -0.490 0.000 2.737 94 T HA -0.040 4.305 4.350 -0.009 0.000 0.265 94 T C 2.244 176.590 174.700 -0.590 0.000 1.038 94 T CA 0.465 62.197 62.100 -0.614 0.000 1.144 94 T CB -0.141 68.150 68.868 -0.961 0.000 0.866 94 T HN 0.116 nan 8.240 nan 0.000 0.434 95 I N 1.445 121.610 120.570 -0.675 0.000 2.208 95 I HA -0.207 3.958 4.170 -0.009 0.000 0.245 95 I C 2.867 178.732 176.117 -0.421 0.000 1.097 95 I CA 1.126 61.967 61.300 -0.766 0.000 1.363 95 I CB -0.451 37.204 38.000 -0.574 0.000 1.051 95 I HN 0.187 nan 8.210 nan 0.000 0.413 96 A N 0.438 123.124 122.820 -0.222 0.000 1.908 96 A HA -0.258 4.056 4.320 -0.009 0.000 0.218 96 A C 2.215 179.735 177.584 -0.107 0.000 1.181 96 A CA 1.940 53.932 52.037 -0.074 0.000 0.627 96 A CB -0.637 18.338 19.000 -0.041 0.000 0.818 96 A HN 0.484 nan 8.150 nan 0.000 0.445 97 E N -0.816 119.275 120.200 -0.181 0.000 2.110 97 E HA -0.170 4.175 4.350 -0.009 0.000 0.193 97 E C 2.321 178.822 176.600 -0.166 0.000 0.988 97 E CA 0.814 57.123 56.400 -0.151 0.000 0.804 97 E CB -0.149 29.448 29.700 -0.171 0.000 0.745 97 E HN 0.354 nan 8.360 nan 0.000 0.458 98 R N 0.565 120.867 120.500 -0.329 0.000 2.081 98 R HA -0.084 4.251 4.340 -0.009 0.000 0.235 98 R C 2.427 178.584 176.300 -0.240 0.000 1.131 98 R CA 0.753 56.586 56.100 -0.446 0.000 0.960 98 R CB -0.949 28.674 30.300 -1.128 0.000 0.856 98 R HN 0.132 nan 8.270 nan 0.000 0.436 99 V N 1.399 121.178 119.914 -0.225 0.000 2.295 99 V HA -0.229 3.886 4.120 -0.009 0.000 0.246 99 V C 2.575 178.752 176.094 0.139 0.000 1.049 99 V CA 1.895 64.257 62.300 0.103 0.000 1.024 99 V CB -0.895 31.055 31.823 0.213 0.000 0.648 99 V HN 0.330 nan 8.190 nan 0.000 0.447 100 A N -0.110 122.748 122.820 0.064 0.000 1.883 100 A HA -0.295 4.020 4.320 -0.009 0.000 0.217 100 A C 2.351 179.972 177.584 0.062 0.000 1.186 100 A CA 2.392 54.460 52.037 0.052 0.000 0.624 100 A CB -0.507 18.503 19.000 0.016 0.000 0.822 100 A HN 0.544 nan 8.150 nan 0.000 0.444 101 K N -1.273 119.166 120.400 0.065 0.000 2.103 101 K HA -0.093 4.222 4.320 -0.009 0.000 0.204 101 K C 1.934 178.622 176.600 0.146 0.000 1.052 101 K CA 1.715 58.053 56.287 0.085 0.000 0.945 101 K CB -0.254 32.288 32.500 0.069 0.000 0.722 101 K HN 0.416 nan 8.250 nan 0.000 0.443 102 T N 0.704 115.399 114.554 0.234 0.000 2.857 102 T HA -0.084 4.261 4.350 -0.009 0.000 0.266 102 T C 1.750 176.590 174.700 0.233 0.000 1.048 102 T CA 1.097 63.372 62.100 0.292 0.000 1.139 102 T CB -0.142 69.049 68.868 0.537 0.000 0.874 102 T HN 0.325 nan 8.240 nan 0.000 0.455 103 R N 1.096 121.736 120.500 0.234 0.000 2.080 103 R HA -0.172 4.163 4.340 -0.009 0.000 0.236 103 R C 2.370 178.792 176.300 0.203 0.000 1.137 103 R CA 1.913 58.146 56.100 0.221 0.000 0.943 103 R CB -0.238 30.160 30.300 0.163 0.000 0.846 103 R HN 0.201 nan 8.270 nan 0.000 0.431 104 E N 0.264 120.534 120.200 0.118 0.000 2.085 104 E HA -0.146 4.199 4.350 -0.009 0.000 0.194 104 E C 1.665 178.342 176.600 0.129 0.000 0.994 104 E CA 1.835 58.285 56.400 0.082 0.000 0.801 104 E CB -0.258 29.462 29.700 0.033 0.000 0.743 104 E HN 0.493 nan 8.360 nan 0.000 0.453 105 A N -0.640 122.256 122.820 0.126 0.000 2.067 105 A HA -0.079 4.236 4.320 -0.009 0.000 0.219 105 A C 2.029 179.683 177.584 0.118 0.000 1.158 105 A CA 1.888 53.991 52.037 0.111 0.000 0.661 105 A CB -0.484 18.577 19.000 0.101 0.000 0.801 105 A HN 0.368 nan 8.150 nan 0.000 0.452 106 T N -4.757 109.887 114.554 0.150 0.000 3.182 106 T HA 0.409 4.754 4.350 -0.009 0.000 0.277 106 T C -0.118 174.673 174.700 0.151 0.000 1.013 106 T CA -0.483 61.693 62.100 0.127 0.000 0.900 106 T CB -0.548 68.383 68.868 0.105 0.000 1.098 106 T HN 0.104 nan 8.240 nan 0.000 0.543 107 F N 2.230 122.207 119.950 0.045 0.000 2.396 107 F HA 0.606 5.128 4.527 -0.009 0.000 0.343 107 F C -0.479 175.336 175.800 0.026 0.000 1.104 107 F CA -0.835 57.187 58.000 0.035 0.000 1.161 107 F CB 1.222 40.238 39.000 0.027 0.000 1.146 107 F HN -0.070 nan 8.300 nan 0.000 0.522 108 V N 6.097 125.780 119.914 -0.385 0.000 2.378 108 V HA 0.180 4.295 4.120 -0.009 0.000 0.288 108 V C 0.526 176.499 176.094 -0.202 0.000 1.016 108 V CA -0.003 62.184 62.300 -0.189 0.000 0.840 108 V CB 1.121 32.834 31.823 -0.183 0.000 0.994 108 V HN 0.998 nan 8.190 nan 0.000 0.431 109 T N 2.285 116.866 114.554 0.046 0.000 2.739 109 T HA 0.149 4.494 4.350 -0.009 0.000 0.246 109 T C 0.666 175.374 174.700 0.013 0.000 1.058 109 T CA 0.425 62.579 62.100 0.091 0.000 1.184 109 T CB 0.081 69.035 68.868 0.144 0.000 0.887 109 T HN 0.421 nan 8.240 nan 0.000 0.408 110 K N 3.046 123.457 120.400 0.018 0.000 2.185 110 K HA 0.368 4.683 4.320 -0.009 0.000 0.269 110 K C -0.317 176.276 176.600 -0.011 0.000 0.987 110 K CA -0.714 55.574 56.287 0.003 0.000 0.865 110 K CB 1.075 33.583 32.500 0.014 0.000 1.090 110 K HN 0.514 nan 8.250 nan 0.000 0.450 111 N N 1.250 119.936 118.700 -0.024 0.000 2.322 111 N HA 0.055 4.790 4.740 -0.009 0.000 0.270 111 N C 0.723 176.225 175.510 -0.014 0.000 1.286 111 N CA -0.131 52.903 53.050 -0.027 0.000 0.948 111 N CB 0.167 38.631 38.487 -0.039 0.000 1.164 111 N HN 0.447 nan 8.380 nan 0.000 0.551 112 A N -0.745 122.066 122.820 -0.013 0.000 2.067 112 A HA -0.089 4.226 4.320 -0.009 0.000 0.219 112 A C 1.553 179.133 177.584 -0.007 0.000 1.158 112 A CA 0.940 52.972 52.037 -0.008 0.000 0.661 112 A CB -0.567 18.428 19.000 -0.008 0.000 0.801 112 A HN 0.693 nan 8.150 nan 0.000 0.452 113 K N -1.175 119.219 120.400 -0.010 0.000 2.487 113 K HA 0.190 4.505 4.320 -0.009 0.000 0.192 113 K C 1.022 177.620 176.600 -0.003 0.000 1.027 113 K CA 0.491 56.774 56.287 -0.007 0.000 1.054 113 K CB -0.031 32.463 32.500 -0.010 0.000 0.824 113 K HN 0.632 nan 8.250 nan 0.000 0.510 114 G N 1.908 110.707 108.800 -0.002 0.000 2.141 114 G HA2 -0.286 3.668 3.960 -0.009 0.000 0.242 114 G HA3 -0.286 3.668 3.960 -0.009 0.000 0.242 114 G C -0.266 174.638 174.900 0.005 0.000 0.982 114 G CA -0.080 45.021 45.100 0.003 0.000 0.662 114 G HN 0.373 nan 8.290 nan 0.000 0.527 115 Q N -0.212 119.589 119.800 0.001 0.000 2.235 115 Q HA 0.564 4.899 4.340 -0.009 0.000 0.250 115 Q C 0.287 176.287 176.000 -0.000 0.000 0.909 115 Q CA -0.745 55.061 55.803 0.005 0.000 0.910 115 Q CB 2.426 31.165 28.738 0.001 0.000 1.223 115 Q HN 0.145 nan 8.270 nan 0.000 0.432 116 V N 3.592 123.513 119.914 0.011 0.000 2.439 116 V HA 0.003 4.118 4.120 -0.009 0.000 0.271 116 V C 0.888 176.973 176.094 -0.015 0.000 1.040 116 V CA 0.222 62.527 62.300 0.008 0.000 1.002 116 V CB 0.601 32.441 31.823 0.028 0.000 1.000 116 V HN 0.818 nan 8.190 nan 0.000 0.477 117 V N 1.437 121.321 119.914 -0.050 0.000 3.484 117 V HA 0.301 4.416 4.120 -0.009 0.000 0.252 117 V C 0.800 176.815 176.094 -0.133 0.000 1.282 117 V CA -0.132 62.108 62.300 -0.100 0.000 1.104 117 V CB -0.423 31.316 31.823 -0.141 0.000 0.868 117 V HN 0.802 nan 8.190 nan 0.000 0.457 118 N N 2.126 120.748 118.700 -0.130 0.000 2.669 118 N HA -0.218 4.516 4.740 -0.009 0.000 0.266 118 N C -0.083 175.183 175.510 -0.405 0.000 1.024 118 N CA 1.387 54.370 53.050 -0.111 0.000 0.766 118 N CB -0.961 37.618 38.487 0.153 0.000 0.898 118 N HN 0.838 nan 8.380 nan 0.000 0.548 119 R N 0.093 120.084 120.500 -0.848 0.000 2.621 119 R HA 0.486 4.821 4.340 -0.009 0.000 0.292 119 R C -0.903 174.942 176.300 -0.758 0.000 0.969 119 R CA -0.666 55.079 56.100 -0.591 0.000 0.887 119 R CB 1.493 31.584 30.300 -0.349 0.000 1.180 119 R HN 0.338 nan 8.270 nan 0.000 0.450 120 C N 4.303 123.425 119.300 -0.296 0.000 2.281 120 C HA 0.294 4.749 4.460 -0.009 0.000 0.336 120 C C 0.761 175.782 174.990 0.051 0.000 1.217 120 C CA -0.487 58.517 59.018 -0.024 0.000 1.730 120 C CB -0.132 27.731 27.740 0.205 0.000 2.338 120 C HN 0.833 nan 8.230 nan 0.000 0.521 121 D N 2.888 123.323 120.400 0.058 0.000 2.348 121 D HA 0.105 4.739 4.640 -0.009 0.000 0.211 121 D C 1.898 178.305 176.300 0.179 0.000 0.998 121 D CA 0.935 55.030 54.000 0.159 0.000 0.873 121 D CB 0.309 41.169 40.800 0.102 0.000 0.925 121 D HN 0.874 nan 8.370 nan 0.000 0.524 122 G N -0.234 108.635 108.800 0.115 0.000 3.126 122 G HA2 0.233 4.188 3.960 -0.009 0.000 0.224 122 G HA3 0.233 4.188 3.960 -0.009 0.000 0.224 122 G C 0.600 175.490 174.900 -0.017 0.000 1.142 122 G CA -0.111 45.011 45.100 0.037 0.000 0.759 122 G HN 0.117 nan 8.290 nan 0.000 0.550 123 I N 0.798 121.412 120.570 0.074 0.000 2.509 123 I HA 0.665 4.829 4.170 -0.009 0.000 0.293 123 I C -0.267 175.943 176.117 0.156 0.000 1.020 123 I CA -1.014 60.329 61.300 0.072 0.000 1.088 123 I CB 2.323 40.446 38.000 0.205 0.000 1.267 123 I HN 0.016 nan 8.210 nan 0.000 0.430 124 A N 3.734 126.654 122.820 0.167 0.000 2.469 124 A HA 0.853 5.167 4.320 -0.009 0.000 0.299 124 A C -0.969 176.875 177.584 0.434 0.000 1.098 124 A CA -0.590 51.595 52.037 0.245 0.000 0.737 124 A CB 2.128 21.100 19.000 -0.046 0.000 1.312 124 A HN 0.572 nan 8.150 nan 0.000 0.414 125 S N -0.067 115.848 115.700 0.359 0.000 2.547 125 S HA 0.665 5.130 4.470 -0.009 0.000 0.281 125 S C -1.004 173.789 174.600 0.322 0.000 1.118 125 S CA -0.041 58.358 58.200 0.332 0.000 0.947 125 S CB 1.216 64.541 63.200 0.209 0.000 1.053 125 S HN 2.062 nan 8.310 nan 0.000 0.482 126 V N 1.430 121.522 119.914 0.297 0.000 2.604 126 V HA 1.062 5.177 4.120 -0.009 0.000 0.305 126 V C 0.239 176.612 176.094 0.465 0.000 1.043 126 V CA 0.270 62.819 62.300 0.416 0.000 0.888 126 V CB 0.519 32.602 31.823 0.435 0.000 0.995 126 V HN 1.825 nan 8.190 nan 0.000 0.429 127 G N 2.032 111.147 108.800 0.524 0.000 2.525 127 G HA2 0.457 4.412 3.960 -0.009 0.000 0.685 127 G HA3 0.457 4.412 3.960 -0.009 0.000 0.685 127 G C -0.679 174.423 174.900 0.337 0.000 1.285 127 G CA -0.182 45.197 45.100 0.465 0.000 0.849 127 G HN 2.060 nan 8.290 nan 0.000 0.653 128 S N -0.470 115.345 115.700 0.193 0.000 2.548 128 S HA 0.753 5.218 4.470 -0.009 0.000 0.278 128 S C 0.999 175.715 174.600 0.194 0.000 1.150 128 S CA 0.668 59.031 58.200 0.271 0.000 0.907 128 S CB 1.297 64.673 63.200 0.293 0.000 1.108 128 S HN 2.355 nan 8.310 nan 0.000 0.459 129 A N 3.189 126.209 122.820 0.333 0.000 2.178 129 A HA 0.258 4.573 4.320 -0.009 0.000 0.218 129 A C 1.996 179.738 177.584 0.263 0.000 1.157 129 A CA 1.659 53.890 52.037 0.324 0.000 0.689 129 A CB -0.803 18.467 19.000 0.450 0.000 0.787 129 A HN 1.331 nan 8.150 nan 0.000 0.465 130 A N -0.961 122.006 122.820 0.245 0.000 2.119 130 A HA 0.269 4.584 4.320 -0.009 0.000 0.216 130 A C 1.227 178.866 177.584 0.092 0.000 1.152 130 A CA 0.317 52.467 52.037 0.188 0.000 0.708 130 A CB -0.304 18.820 19.000 0.206 0.000 0.805 130 A HN 0.542 nan 8.150 nan 0.000 0.460 131 M N 0.772 120.413 119.600 0.069 0.000 2.255 131 M HA 0.170 4.645 4.480 -0.009 0.000 0.336 131 M C -0.587 175.702 176.300 -0.018 0.000 1.135 131 M CA -0.629 54.664 55.300 -0.012 0.000 1.145 131 M CB 0.435 32.989 32.600 -0.076 0.000 1.473 131 M HN 0.112 nan 8.290 nan 0.000 0.462 132 D N 1.232 121.587 120.400 -0.075 0.000 2.368 132 D HA 0.021 4.656 4.640 -0.009 0.000 0.240 132 D C 0.863 177.128 176.300 -0.059 0.000 1.169 132 D CA 0.044 53.994 54.000 -0.083 0.000 0.906 132 D CB 0.460 41.170 40.800 -0.150 0.000 1.187 132 D HN 0.461 nan 8.370 nan 0.000 0.435 133 N N 0.950 119.623 118.700 -0.046 0.000 2.094 133 N HA -0.179 4.556 4.740 -0.009 0.000 0.191 133 N C 1.318 176.690 175.510 -0.230 0.000 1.023 133 N CA 1.205 54.219 53.050 -0.060 0.000 0.857 133 N CB -0.001 38.471 38.487 -0.025 0.000 1.013 133 N HN 0.415 nan 8.380 nan 0.000 0.426 134 E N 0.912 121.019 120.200 -0.155 0.000 2.150 134 E HA -0.076 4.269 4.350 -0.009 0.000 0.193 134 E C 1.824 178.436 176.600 0.020 0.000 0.985 134 E CA 0.739 57.072 56.400 -0.110 0.000 0.814 134 E CB -0.104 29.554 29.700 -0.070 0.000 0.752 134 E HN 0.509 nan 8.360 nan 0.000 0.466 135 E N -0.212 120.004 120.200 0.027 0.000 2.072 135 E HA -0.133 4.212 4.350 -0.009 0.000 0.190 135 E C 2.036 178.548 176.600 -0.148 0.000 0.982 135 E CA 1.101 57.448 56.400 -0.089 0.000 0.803 135 E CB -0.177 29.392 29.700 -0.219 0.000 0.755 135 E HN 0.257 nan 8.360 nan 0.000 0.453 136 C N 0.304 119.530 119.300 -0.124 0.000 2.413 136 C HA -0.157 4.298 4.460 -0.009 0.000 0.276 136 C C 2.307 177.222 174.990 -0.125 0.000 1.248 136 C CA 0.509 59.472 59.018 -0.091 0.000 1.742 136 C CB -1.103 26.625 27.740 -0.021 0.000 2.017 136 C HN 0.627 nan 8.230 nan 0.000 0.481 137 W N 2.078 123.145 121.300 -0.388 0.000 2.379 137 W HA -0.087 4.568 4.660 -0.008 0.000 0.307 137 W C 2.338 178.638 176.519 -0.365 0.000 1.200 137 W CA 2.002 59.107 57.345 -0.400 0.000 1.297 137 W CB -0.281 28.824 29.460 -0.592 0.000 1.140 137 W HN 0.460 nan 8.180 nan 0.000 0.507 138 I N -1.992 118.439 120.570 -0.232 0.000 2.493 138 I HA -0.221 3.943 4.170 -0.009 0.000 0.254 138 I C 2.222 178.029 176.117 -0.518 0.000 1.160 138 I CA 1.408 62.256 61.300 -0.753 0.000 1.445 138 I CB -1.126 36.108 38.000 -1.276 0.000 1.086 138 I HN 0.039 nan 8.210 nan 0.000 0.433 139 Y N 2.988 123.008 120.300 -0.467 0.000 2.184 139 Y HA -0.256 4.289 4.550 -0.009 0.000 0.290 139 Y C 2.696 178.414 175.900 -0.303 0.000 1.129 139 Y CA 2.111 59.982 58.100 -0.382 0.000 1.144 139 Y CB -0.705 37.469 38.460 -0.477 0.000 0.995 139 Y HN 0.498 nan 8.280 nan 0.000 0.513 140 Q N 0.311 119.868 119.800 -0.404 0.000 2.124 140 Q HA -0.104 4.231 4.340 -0.009 0.000 0.202 140 Q C 2.158 177.900 176.000 -0.429 0.000 0.977 140 Q CA 1.960 57.496 55.803 -0.445 0.000 0.850 140 Q CB -1.161 27.363 28.738 -0.357 0.000 0.901 140 Q HN 0.344 nan 8.270 nan 0.000 0.429 141 A N 0.088 122.570 122.820 -0.563 0.000 1.902 141 A HA -0.128 4.186 4.320 -0.009 0.000 0.217 141 A C 1.898 179.414 177.584 -0.113 0.000 1.181 141 A CA 1.239 52.991 52.037 -0.474 0.000 0.623 141 A CB -1.302 17.308 19.000 -0.651 0.000 0.818 141 A HN 0.677 nan 8.150 nan 0.000 0.443 142 W N 0.862 122.055 121.300 -0.177 0.000 2.354 142 W HA -0.147 4.507 4.660 -0.009 0.000 0.315 142 W C 1.847 178.281 176.519 -0.142 0.000 1.206 142 W CA 1.772 59.095 57.345 -0.037 0.000 1.290 142 W CB -0.690 28.780 29.460 0.017 0.000 1.152 142 W HN 0.251 nan 8.180 nan 0.000 0.489 143 L N 0.359 121.319 121.223 -0.438 0.000 2.042 143 L HA -0.249 4.086 4.340 -0.009 0.000 0.210 143 L C 2.690 179.381 176.870 -0.298 0.000 1.076 143 L CA 1.868 56.367 54.840 -0.568 0.000 0.749 143 L CB -0.984 40.703 42.059 -0.621 0.000 0.893 143 L HN -0.030 nan 8.230 nan 0.000 0.432 144 R N -0.043 120.344 120.500 -0.189 0.000 2.096 144 R HA -0.132 4.202 4.340 -0.009 0.000 0.235 144 R C 2.610 178.965 176.300 0.092 0.000 1.127 144 R CA 1.608 57.695 56.100 -0.021 0.000 0.968 144 R CB -0.460 29.860 30.300 0.033 0.000 0.861 144 R HN 0.489 nan 8.270 nan 0.000 0.440 145 S N 1.060 116.793 115.700 0.056 0.000 2.402 145 S HA -0.069 4.395 4.470 -0.009 0.000 0.229 145 S C 1.948 176.613 174.600 0.109 0.000 1.021 145 S CA 0.855 59.183 58.200 0.213 0.000 0.974 145 S CB -0.309 62.989 63.200 0.163 0.000 0.800 145 S HN 0.246 nan 8.310 nan 0.000 0.484 146 L N 0.957 122.143 121.223 -0.062 0.000 2.478 146 L HA 0.238 4.573 4.340 -0.009 0.000 0.223 146 L C 1.984 178.934 176.870 0.133 0.000 1.140 146 L CA 0.506 55.309 54.840 -0.061 0.000 0.842 146 L CB -0.822 41.072 42.059 -0.275 0.000 0.953 146 L HN 0.644 nan 8.230 nan 0.000 0.452 147 G N -0.027 108.867 108.800 0.156 0.000 2.141 147 G HA2 -0.246 3.708 3.960 -0.009 0.000 0.231 147 G HA3 -0.246 3.708 3.960 -0.009 0.000 0.231 147 G C -0.027 174.936 174.900 0.105 0.000 0.984 147 G CA -0.442 44.787 45.100 0.214 0.000 0.660 147 G HN 0.107 nan 8.290 nan 0.000 0.525 148 L N -0.737 120.513 121.223 0.046 0.000 2.456 148 L HA 0.620 4.955 4.340 -0.009 0.000 0.272 148 L C 1.300 178.187 176.870 0.029 0.000 1.189 148 L CA 0.426 55.291 54.840 0.042 0.000 0.846 148 L CB 0.577 42.621 42.059 -0.025 0.000 1.111 148 L HN 0.132 nan 8.230 nan 0.000 0.475 149 F N 0.586 120.429 119.950 -0.178 0.000 2.747 149 F HA 0.225 4.747 4.527 -0.009 0.000 0.305 149 F C 0.423 176.054 175.800 -0.281 0.000 1.065 149 F CA -0.314 57.456 58.000 -0.383 0.000 1.230 149 F CB 0.344 38.845 39.000 -0.833 0.000 1.027 149 F HN 0.259 nan 8.300 nan 0.000 0.607 150 Y N 3.053 123.405 120.300 0.086 0.000 2.576 150 Y HA 0.290 4.835 4.550 -0.009 0.000 0.348 150 Y C -0.408 175.532 175.900 0.067 0.000 1.212 150 Y CA 0.322 58.512 58.100 0.150 0.000 1.683 150 Y CB -0.566 37.994 38.460 0.167 0.000 1.484 150 Y HN -0.129 nan 8.280 nan 0.000 0.477 151 I N 3.163 123.811 120.570 0.130 0.000 2.468 151 I HA 0.338 4.503 4.170 -0.009 0.000 0.284 151 I C -0.456 175.763 176.117 0.170 0.000 1.038 151 I CA -0.503 60.844 61.300 0.077 0.000 1.083 151 I CB 1.359 39.298 38.000 -0.100 0.000 1.223 151 I HN 0.350 nan 8.210 nan 0.000 0.443 152 E N 5.208 125.586 120.200 0.297 0.000 2.456 152 E HA 0.592 4.936 4.350 -0.009 0.000 0.276 152 E C -1.308 175.642 176.600 0.583 0.000 0.981 152 E CA -0.676 55.984 56.400 0.433 0.000 0.814 152 E CB 3.048 33.044 29.700 0.494 0.000 1.382 152 E HN 0.681 nan 8.360 nan 0.000 0.459 153 H N -1.116 118.218 119.070 0.440 0.000 2.917 153 H HA 0.204 4.754 4.556 -0.009 0.000 0.269 153 H C 0.346 175.860 175.328 0.311 0.000 1.488 153 H CA -0.400 55.913 56.048 0.441 0.000 1.173 153 H CB 0.219 30.180 29.762 0.332 0.000 1.868 153 H HN 0.213 nan 8.280 nan 0.000 0.600 154 Q N 0.654 120.480 119.800 0.043 0.000 2.142 154 Q HA -0.181 4.154 4.340 -0.009 0.000 0.213 154 Q C 2.360 178.160 176.000 -0.334 0.000 1.004 154 Q CA 3.366 59.083 55.803 -0.144 0.000 0.883 154 Q CB -0.822 27.970 28.738 0.090 0.000 0.939 154 Q HN 0.679 nan 8.270 nan 0.000 0.413 155 A N 0.371 122.864 122.820 -0.545 0.000 2.032 155 A HA -0.268 4.047 4.320 -0.009 0.000 0.221 155 A C 2.000 179.526 177.584 -0.098 0.000 1.165 155 A CA 1.806 53.722 52.037 -0.203 0.000 0.645 155 A CB -0.525 18.461 19.000 -0.023 0.000 0.807 155 A HN 0.218 nan 8.150 nan 0.000 0.453 156 R N 0.343 120.759 120.500 -0.140 0.000 2.081 156 R HA -0.001 4.334 4.340 -0.009 0.000 0.235 156 R C 0.897 177.160 176.300 -0.062 0.000 1.131 156 R CA 1.068 57.168 56.100 -0.001 0.000 0.960 156 R CB -0.726 29.621 30.300 0.078 0.000 0.856 156 R HN 0.555 nan 8.270 nan 0.000 0.436 160 S N 0.659 116.516 115.700 0.262 0.000 2.382 160 S HA -0.051 4.413 4.470 -0.009 0.000 0.228 160 S C 2.213 176.903 174.600 0.151 0.000 1.027 160 S CA 1.076 59.448 58.200 0.287 0.000 0.991 160 S CB -0.195 63.227 63.200 0.370 0.000 0.823 160 S HN 0.362 nan 8.310 nan 0.000 0.469 161 A N 1.442 124.190 122.820 -0.120 0.000 1.969 161 A HA 0.021 4.336 4.320 -0.009 0.000 0.218 161 A C 2.386 179.914 177.584 -0.093 0.000 1.169 161 A CA 1.844 53.604 52.037 -0.461 0.000 0.635 161 A CB -1.478 17.203 19.000 -0.531 0.000 0.810 161 A HN 0.530 nan 8.150 nan 0.000 0.445 162 T N -0.476 114.118 114.554 0.066 0.000 2.777 162 T HA -0.098 4.246 4.350 -0.009 0.000 0.266 162 T C 1.902 176.648 174.700 0.076 0.000 1.040 162 T CA 1.564 63.720 62.100 0.094 0.000 1.141 162 T CB -0.315 68.672 68.868 0.197 0.000 0.868 162 T HN 0.142 nan 8.240 nan 0.000 0.444 163 V N 1.667 121.660 119.914 0.133 0.000 2.295 163 V HA -0.189 3.925 4.120 -0.009 0.000 0.246 163 V C 2.836 178.996 176.094 0.111 0.000 1.049 163 V CA 1.807 64.195 62.300 0.147 0.000 1.024 163 V CB -1.189 30.775 31.823 0.235 0.000 0.648 163 V HN 0.522 nan 8.190 nan 0.000 0.447 164 A N -0.018 122.862 122.820 0.099 0.000 1.865 164 A HA -0.189 4.126 4.320 -0.009 0.000 0.217 164 A C 2.417 180.013 177.584 0.020 0.000 1.191 164 A CA 2.503 54.587 52.037 0.077 0.000 0.623 164 A CB -0.929 18.119 19.000 0.080 0.000 0.826 164 A HN 0.590 nan 8.150 nan 0.000 0.444 165 A N -0.657 122.146 122.820 -0.028 0.000 1.873 165 A HA 0.054 4.369 4.320 -0.009 0.000 0.215 165 A C 2.169 179.667 177.584 -0.144 0.000 1.186 165 A CA 1.432 53.418 52.037 -0.086 0.000 0.616 165 A CB -0.540 18.391 19.000 -0.115 0.000 0.823 165 A HN 0.459 nan 8.150 nan 0.000 0.442 166 L N -0.974 120.176 121.223 -0.122 0.000 2.179 166 L HA -0.077 4.258 4.340 -0.009 0.000 0.208 166 L C 2.967 179.772 176.870 -0.107 0.000 1.096 166 L CA 0.788 55.510 54.840 -0.197 0.000 0.779 166 L CB -0.451 41.579 42.059 -0.048 0.000 0.922 166 L HN 0.439 nan 8.230 nan 0.000 0.443 167 A N 0.076 122.901 122.820 0.009 0.000 1.969 167 A HA -0.217 4.097 4.320 -0.009 0.000 0.218 167 A C 2.163 179.756 177.584 0.015 0.000 1.169 167 A CA 1.607 53.692 52.037 0.080 0.000 0.635 167 A CB -0.280 18.799 19.000 0.132 0.000 0.810 167 A HN 0.389 nan 8.150 nan 0.000 0.445 168 E N 0.373 120.554 120.200 -0.032 0.000 2.051 168 E HA -0.118 4.227 4.350 -0.009 0.000 0.192 168 E C 2.125 178.654 176.600 -0.117 0.000 0.991 168 E CA 1.881 58.258 56.400 -0.038 0.000 0.799 168 E CB -0.257 29.437 29.700 -0.010 0.000 0.748 168 E HN 0.470 nan 8.360 nan 0.000 0.449 169 S N -0.963 114.594 115.700 -0.238 0.000 2.357 169 S HA -0.077 4.388 4.470 -0.009 0.000 0.221 169 S C 1.104 175.543 174.600 -0.267 0.000 1.031 169 S CA 1.283 59.267 58.200 -0.360 0.000 0.982 169 S CB -0.222 62.499 63.200 -0.798 0.000 0.853 169 S HN 0.381 nan 8.310 nan 0.000 0.458 170 Y N -0.506 119.682 120.300 -0.188 0.000 2.430 170 Y HA 0.438 4.983 4.550 -0.009 0.000 0.254 170 Y C 1.873 177.755 175.900 -0.030 0.000 1.088 170 Y CA -0.375 57.556 58.100 -0.283 0.000 1.267 170 Y CB -0.219 37.936 38.460 -0.508 0.000 1.204 170 Y HN 0.322 nan 8.280 nan 0.000 0.515 171 G N 0.388 109.301 108.800 0.187 0.000 2.238 171 G HA2 -0.195 3.760 3.960 -0.009 0.000 0.217 171 G HA3 -0.195 3.760 3.960 -0.009 0.000 0.217 171 G C 0.367 175.494 174.900 0.378 0.000 0.996 171 G CA -0.259 45.014 45.100 0.289 0.000 0.632 171 G HN 0.251 nan 8.290 nan 0.000 0.503 172 R N -0.805 119.935 120.500 0.400 0.000 2.808 172 R HA 0.568 4.903 4.340 -0.009 0.000 0.272 172 R C 0.971 177.421 176.300 0.251 0.000 0.995 172 R CA -0.397 55.900 56.100 0.328 0.000 0.917 172 R CB 1.572 32.079 30.300 0.344 0.000 1.217 172 R HN 0.265 nan 8.270 nan 0.000 0.471 173 G N 0.146 109.030 108.800 0.140 0.000 3.042 173 G HA2 0.183 4.138 3.960 -0.009 0.000 0.212 173 G HA3 0.183 4.138 3.960 -0.009 0.000 0.212 173 G C 0.391 175.362 174.900 0.118 0.000 1.166 173 G CA 0.119 45.292 45.100 0.120 0.000 0.767 173 G HN 0.608 nan 8.290 nan 0.000 0.546 174 A N 0.231 123.118 122.820 0.112 0.000 2.332 174 A HA 0.633 4.948 4.320 -0.009 0.000 0.258 174 A C 0.464 178.043 177.584 -0.009 0.000 1.087 174 A CA -0.529 51.523 52.037 0.025 0.000 0.802 174 A CB 0.358 19.282 19.000 -0.127 0.000 1.042 174 A HN 0.378 nan 8.150 nan 0.000 0.489 175 M N 1.807 121.356 119.600 -0.085 0.000 2.260 175 M HA 0.054 4.529 4.480 -0.009 0.000 0.348 175 M C 1.433 177.649 176.300 -0.140 0.000 1.342 175 M CA 1.006 56.238 55.300 -0.114 0.000 1.040 175 M CB 0.530 33.001 32.600 -0.215 0.000 1.810 175 M HN 0.901 nan 8.290 nan 0.000 0.453 176 T N 1.246 115.767 114.554 -0.056 0.000 2.985 176 T HA 0.085 4.430 4.350 -0.009 0.000 0.266 176 T C 0.610 175.219 174.700 -0.151 0.000 1.076 176 T CA 1.173 63.233 62.100 -0.066 0.000 1.135 176 T CB -0.085 68.857 68.868 0.123 0.000 0.890 176 T HN 0.769 nan 8.240 nan 0.000 0.480 177 N N 0.620 119.233 118.700 -0.146 0.000 3.245 177 N HA 0.553 5.288 4.740 -0.009 0.000 0.333 177 N C -0.648 174.790 175.510 -0.120 0.000 1.403 177 N CA -0.468 52.511 53.050 -0.119 0.000 0.648 177 N CB 0.719 39.118 38.487 -0.147 0.000 1.572 177 N HN 0.793 nan 8.380 nan 0.000 0.516 178 H N -3.928 114.964 119.070 -0.297 0.000 2.967 178 H HA 0.315 4.866 4.556 -0.008 0.000 0.318 178 H C -0.416 174.661 175.328 -0.418 0.000 1.375 178 H CA -1.063 54.727 56.048 -0.429 0.000 1.132 178 H CB 0.298 29.924 29.762 -0.226 0.000 1.848 178 H HN 0.442 nan 8.280 nan 0.000 0.524 179 W N 0.439 121.553 121.300 -0.310 0.000 2.317 179 W HA -0.125 4.530 4.660 -0.009 0.000 0.318 179 W C 1.828 177.992 176.519 -0.592 0.000 1.227 179 W CA 1.284 58.426 57.345 -0.339 0.000 1.269 179 W CB -0.353 28.955 29.460 -0.253 0.000 1.155 179 W HN 0.521 nan 8.180 nan 0.000 0.484 180 I N 0.120 120.316 120.570 -0.624 0.000 2.361 180 I HA -0.286 3.879 4.170 -0.009 0.000 0.251 180 I C 1.912 177.609 176.117 -0.699 0.000 1.133 180 I CA 1.740 62.333 61.300 -1.179 0.000 1.413 180 I CB -0.637 36.852 38.000 -0.850 0.000 1.073 180 I HN -0.020 nan 8.210 nan 0.000 0.424 181 D N 0.980 120.907 120.400 -0.790 0.000 2.309 181 D HA -0.140 4.495 4.640 -0.009 0.000 0.212 181 D C 2.142 178.291 176.300 -0.252 0.000 0.968 181 D CA 0.817 54.498 54.000 -0.532 0.000 0.882 181 D CB -0.028 40.344 40.800 -0.713 0.000 0.918 181 D HN 0.283 nan 8.370 nan 0.000 0.503 182 L N 0.415 121.528 121.223 -0.184 0.000 2.187 182 L HA -0.181 4.154 4.340 -0.009 0.000 0.213 182 L C 2.421 179.316 176.870 0.041 0.000 1.100 182 L CA 1.274 56.096 54.840 -0.030 0.000 0.765 182 L CB -0.643 41.455 42.059 0.065 0.000 0.904 182 L HN 0.205 nan 8.230 nan 0.000 0.437 183 K N -0.370 120.092 120.400 0.104 0.000 2.360 183 K HA -0.156 4.159 4.320 -0.009 0.000 0.201 183 K C 1.168 177.813 176.600 0.075 0.000 1.046 183 K CA 1.461 57.847 56.287 0.164 0.000 0.945 183 K CB -0.221 32.472 32.500 0.321 0.000 0.750 183 K HN 0.346 nan 8.250 nan 0.000 0.464 184 N N 0.888 119.601 118.700 0.021 0.000 2.336 184 N HA -0.020 4.715 4.740 -0.009 0.000 0.189 184 N C -0.180 175.330 175.510 -0.001 0.000 1.113 184 N CA 0.139 53.194 53.050 0.008 0.000 0.858 184 N CB 0.634 39.115 38.487 -0.011 0.000 0.970 184 N HN 0.124 nan 8.380 nan 0.000 0.471 185 S N 0.632 116.331 115.700 -0.002 0.000 2.565 185 S HA 0.080 4.545 4.470 -0.009 0.000 0.276 185 S C 0.803 175.397 174.600 -0.009 0.000 1.326 185 S CA -0.379 57.816 58.200 -0.008 0.000 1.045 185 S CB 1.038 64.240 63.200 0.003 0.000 0.918 185 S HN 0.107 nan 8.310 nan 0.000 0.505 186 D N 1.887 122.269 120.400 -0.029 0.000 2.277 186 D HA 0.114 4.749 4.640 -0.009 0.000 0.209 186 D C -0.245 176.037 176.300 -0.030 0.000 0.970 186 D CA 0.873 54.852 54.000 -0.034 0.000 0.874 186 D CB 0.456 41.221 40.800 -0.058 0.000 0.982 186 D HN 0.286 nan 8.370 nan 0.000 0.504 187 V N 1.878 121.767 119.914 -0.042 0.000 2.612 187 V HA 0.321 4.436 4.120 -0.009 0.000 0.301 187 V C -0.486 175.667 176.094 0.098 0.000 1.059 187 V CA -0.628 61.676 62.300 0.008 0.000 0.886 187 V CB 2.615 34.397 31.823 -0.070 0.000 1.007 187 V HN -0.089 nan 8.190 nan 0.000 0.426 188 I N 5.611 126.262 120.570 0.135 0.000 2.330 188 I HA 0.405 4.570 4.170 -0.009 0.000 0.289 188 I C -0.740 175.506 176.117 0.215 0.000 1.001 188 I CA -0.640 60.755 61.300 0.158 0.000 1.193 188 I CB 1.679 39.720 38.000 0.069 0.000 1.345 188 I HN 0.414 nan 8.210 nan 0.000 0.461 189 L N 8.364 129.746 121.223 0.265 0.000 2.265 189 L HA 0.506 4.841 4.340 -0.009 0.000 0.289 189 L C -0.642 176.324 176.870 0.159 0.000 1.033 189 L CA -0.026 54.924 54.840 0.183 0.000 0.814 189 L CB 0.944 43.005 42.059 0.002 0.000 1.203 189 L HN 0.532 nan 8.230 nan 0.000 0.423 190 M N 7.259 126.980 119.600 0.202 0.000 2.047 190 M HA 0.464 4.939 4.480 -0.009 0.000 0.342 190 M C -0.702 175.772 176.300 0.290 0.000 1.058 190 M CA 0.126 55.580 55.300 0.256 0.000 0.991 190 M CB 1.146 33.911 32.600 0.275 0.000 1.474 190 M HN 0.673 nan 8.290 nan 0.000 0.419 191 M N 2.365 122.097 119.600 0.220 0.000 2.224 191 M HA 0.531 5.005 4.480 -0.009 0.000 0.281 191 M C 0.251 176.684 176.300 0.222 0.000 1.025 191 M CA 0.313 55.702 55.300 0.148 0.000 0.954 191 M CB 1.767 34.394 32.600 0.045 0.000 1.639 191 M HN 0.856 nan 8.290 nan 0.000 0.461 192 G N 2.539 111.435 108.800 0.159 0.000 2.160 192 G HA2 -0.199 3.755 3.960 -0.009 0.000 0.244 192 G HA3 -0.199 3.755 3.960 -0.009 0.000 0.244 192 G C -0.444 174.463 174.900 0.012 0.000 1.022 192 G CA 0.450 45.611 45.100 0.102 0.000 0.741 192 G HN 1.283 nan 8.290 nan 0.000 0.508 193 S N -1.762 114.035 115.700 0.161 0.000 2.625 193 S HA 0.741 5.206 4.470 -0.009 0.000 0.271 193 S C -0.810 173.953 174.600 0.271 0.000 1.161 193 S CA -0.245 58.069 58.200 0.191 0.000 0.820 193 S CB 2.243 65.563 63.200 0.200 0.000 1.137 193 S HN 0.913 nan 8.310 nan 0.000 0.470 194 N N 0.531 119.365 118.700 0.223 0.000 2.673 194 N HA 0.425 5.160 4.740 -0.009 0.000 0.265 194 N C -2.586 172.999 175.510 0.124 0.000 1.709 194 N CA -1.752 51.369 53.050 0.119 0.000 0.792 194 N CB 1.089 39.649 38.487 0.122 0.000 1.286 194 N HN 0.287 nan 8.380 nan 0.000 0.506 195 P HA -0.033 nan 4.420 nan 0.000 0.219 195 P C 1.076 178.472 177.300 0.160 0.000 1.146 195 P CA 0.946 64.255 63.100 0.347 0.000 0.808 195 P CB 0.279 32.266 31.700 0.480 0.000 0.779 196 A N -0.185 122.507 122.820 -0.214 0.000 2.019 196 A HA -0.207 4.108 4.320 -0.009 0.000 0.219 196 A C 2.012 179.460 177.584 -0.226 0.000 1.164 196 A CA 1.582 53.286 52.037 -0.555 0.000 0.644 196 A CB -0.801 17.567 19.000 -1.054 0.000 0.805 196 A HN 0.229 nan 8.150 nan 0.000 0.449 197 E N -1.160 118.975 120.200 -0.107 0.000 2.244 197 E HA 0.002 4.347 4.350 -0.009 0.000 0.196 197 E C 0.940 177.549 176.600 0.016 0.000 0.939 197 E CA 0.360 56.738 56.400 -0.036 0.000 0.884 197 E CB 0.026 29.730 29.700 0.007 0.000 0.850 197 E HN 0.485 nan 8.360 nan 0.000 0.481 198 N N 0.247 118.980 118.700 0.055 0.000 2.356 198 N HA 0.019 4.754 4.740 -0.009 0.000 0.178 198 N C -0.163 175.126 175.510 -0.368 0.000 1.075 198 N CA 0.603 53.635 53.050 -0.030 0.000 0.889 198 N CB 0.477 39.011 38.487 0.079 0.000 0.999 198 N HN 0.170 nan 8.380 nan 0.000 0.464 199 H N -1.386 117.759 119.070 0.125 0.000 2.712 199 H HA 0.271 4.821 4.556 -0.009 0.000 0.226 199 H C -1.902 173.407 175.328 -0.032 0.000 1.422 199 H CA -1.085 54.983 56.048 0.034 0.000 1.270 199 H CB 1.294 31.117 29.762 0.102 0.000 1.891 199 H HN -0.020 nan 8.280 nan 0.000 0.518 200 P HA -0.202 nan 4.420 nan 0.000 0.216 200 P C 1.311 178.628 177.300 0.028 0.000 1.157 200 P CA 1.117 64.219 63.100 0.004 0.000 0.880 200 P CB 0.329 31.997 31.700 -0.053 0.000 0.791 201 I N -0.167 120.371 120.570 -0.053 0.000 2.700 201 I HA -0.192 3.973 4.170 -0.009 0.000 0.261 201 I C 2.126 178.258 176.117 0.026 0.000 1.219 201 I CA 1.336 62.605 61.300 -0.052 0.000 1.463 201 I CB -1.368 36.567 38.000 -0.108 0.000 1.092 201 I HN -0.005 nan 8.210 nan 0.000 0.452 202 S N -0.141 115.578 115.700 0.031 0.000 2.400 202 S HA -0.237 4.228 4.470 -0.009 0.000 0.232 202 S C 2.018 176.771 174.600 0.256 0.000 1.025 202 S CA 1.018 59.364 58.200 0.243 0.000 0.993 202 S CB -1.072 62.354 63.200 0.377 0.000 0.808 202 S HN 0.356 nan 8.310 nan 0.000 0.478 203 F N 2.547 122.527 119.950 0.049 0.000 2.451 203 F HA 0.154 4.676 4.527 -0.009 0.000 0.299 203 F C 2.328 178.083 175.800 -0.074 0.000 1.101 203 F CA 0.727 58.733 58.000 0.009 0.000 1.436 203 F CB -0.313 38.677 39.000 -0.017 0.000 1.074 203 F HN 0.254 nan 8.300 nan 0.000 0.553 204 K N -0.465 119.876 120.400 -0.097 0.000 2.032 204 K HA -0.230 4.084 4.320 -0.009 0.000 0.209 204 K C 1.888 178.182 176.600 -0.510 0.000 1.048 204 K CA 2.222 58.262 56.287 -0.412 0.000 0.927 204 K CB -0.417 31.651 32.500 -0.719 0.000 0.712 204 K HN 0.325 nan 8.250 nan 0.000 0.441 205 W N 0.013 121.297 121.300 -0.027 0.000 2.494 205 W HA -0.003 4.651 4.660 -0.009 0.000 0.286 205 W C 2.010 178.469 176.519 -0.101 0.000 1.218 205 W CA -0.151 57.174 57.345 -0.034 0.000 1.313 205 W CB -0.261 29.206 29.460 0.011 0.000 1.105 205 W HN -0.172 nan 8.180 nan 0.000 0.561 206 V N 0.754 120.643 119.914 -0.043 0.000 2.343 206 V HA -0.329 3.786 4.120 -0.009 0.000 0.247 206 V C 2.241 178.186 176.094 -0.248 0.000 1.051 206 V CA 1.473 63.616 62.300 -0.262 0.000 1.036 206 V CB -0.642 30.722 31.823 -0.765 0.000 0.654 206 V HN 0.139 nan 8.190 nan 0.000 0.451 207 M N -0.726 118.729 119.600 -0.241 0.000 2.229 207 M HA -0.084 4.391 4.480 -0.009 0.000 0.264 207 M C 2.268 178.525 176.300 -0.072 0.000 1.063 207 M CA 1.504 56.731 55.300 -0.121 0.000 1.114 207 M CB -1.169 31.399 32.600 -0.054 0.000 1.387 207 M HN 0.278 nan 8.290 nan 0.000 0.420 208 R N -0.150 120.308 120.500 -0.069 0.000 2.115 208 R HA -0.029 4.306 4.340 -0.009 0.000 0.230 208 R C 2.311 178.626 176.300 0.025 0.000 1.111 208 R CA 1.308 57.398 56.100 -0.017 0.000 0.976 208 R CB -0.383 29.920 30.300 0.006 0.000 0.870 208 R HN 0.371 nan 8.270 nan 0.000 0.445 209 A N 1.378 124.215 122.820 0.028 0.000 1.873 209 A HA -0.204 4.110 4.320 -0.009 0.000 0.215 209 A C 2.026 179.613 177.584 0.006 0.000 1.186 209 A CA 1.401 53.452 52.037 0.023 0.000 0.616 209 A CB -0.366 18.643 19.000 0.015 0.000 0.823 209 A HN 0.205 nan 8.150 nan 0.000 0.442 210 K N -0.484 119.908 120.400 -0.013 0.000 2.063 210 K HA -0.222 4.093 4.320 -0.009 0.000 0.208 210 K C 1.201 177.805 176.600 0.007 0.000 1.048 210 K CA 1.754 58.040 56.287 -0.002 0.000 0.928 210 K CB -0.236 32.260 32.500 -0.007 0.000 0.713 210 K HN 0.363 nan 8.250 nan 0.000 0.442 211 D N 0.560 120.961 120.400 0.002 0.000 2.218 211 D HA -0.113 4.522 4.640 -0.009 0.000 0.204 211 D C 1.210 177.517 176.300 0.012 0.000 0.976 211 D CA 1.105 55.108 54.000 0.005 0.000 0.853 211 D CB 0.129 40.928 40.800 -0.001 0.000 0.939 211 D HN 0.246 nan 8.370 nan 0.000 0.481 212 K N -0.779 119.630 120.400 0.016 0.000 2.404 212 K HA 0.197 4.512 4.320 -0.009 0.000 0.194 212 K C 0.906 177.514 176.600 0.015 0.000 1.023 212 K CA 0.419 56.717 56.287 0.018 0.000 1.094 212 K CB 0.965 33.480 32.500 0.025 0.000 0.841 212 K HN 0.132 nan 8.250 nan 0.000 0.523 213 G N 0.875 109.683 108.800 0.014 0.000 2.168 213 G HA2 -0.214 3.741 3.960 -0.009 0.000 0.197 213 G HA3 -0.214 3.741 3.960 -0.009 0.000 0.197 213 G C 0.139 175.048 174.900 0.015 0.000 0.997 213 G CA -0.113 44.995 45.100 0.014 0.000 0.658 213 G HN 0.389 nan 8.290 nan 0.000 0.513 214 A N 0.082 122.910 122.820 0.014 0.000 2.425 214 A HA 0.672 4.986 4.320 -0.009 0.000 0.242 214 A C 0.688 178.289 177.584 0.027 0.000 1.077 214 A CA 1.150 53.196 52.037 0.015 0.000 0.781 214 A CB 0.408 19.414 19.000 0.010 0.000 1.020 214 A HN 0.714 nan 8.150 nan 0.000 0.494 215 T N 2.592 117.168 114.554 0.038 0.000 2.767 215 T HA 0.512 4.856 4.350 -0.009 0.000 0.288 215 T C -0.243 174.507 174.700 0.082 0.000 0.963 215 T CA -0.006 62.132 62.100 0.062 0.000 1.019 215 T CB 0.144 69.054 68.868 0.070 0.000 0.923 215 T HN 0.410 nan 8.240 nan 0.000 0.468 216 L N 4.889 126.167 121.223 0.092 0.000 2.296 216 L HA 0.633 4.968 4.340 -0.009 0.000 0.286 216 L C -0.385 176.578 176.870 0.155 0.000 1.023 216 L CA -0.826 54.080 54.840 0.110 0.000 0.812 216 L CB 1.217 43.328 42.059 0.086 0.000 1.223 216 L HN 0.475 nan 8.230 nan 0.000 0.421 217 I N 2.300 122.981 120.570 0.185 0.000 2.498 217 I HA 0.357 4.522 4.170 -0.009 0.000 0.290 217 I C -0.571 175.703 176.117 0.261 0.000 1.032 217 I CA -0.521 60.902 61.300 0.206 0.000 1.073 217 I CB 2.230 40.347 38.000 0.195 0.000 1.251 217 I HN 0.632 nan 8.210 nan 0.000 0.426 218 H N 5.826 124.983 119.070 0.145 0.000 2.589 218 H HA 0.577 5.128 4.556 -0.009 0.000 0.335 218 H C -1.719 173.660 175.328 0.086 0.000 1.019 218 H CA -0.692 55.448 56.048 0.153 0.000 1.213 218 H CB 2.019 31.902 29.762 0.202 0.000 1.472 218 H HN 0.311 nan 8.280 nan 0.000 0.508 219 V N 6.351 126.160 119.914 -0.174 0.000 2.350 219 V HA 0.253 4.368 4.120 -0.009 0.000 0.285 219 V C -0.316 175.551 176.094 -0.379 0.000 1.014 219 V CA -0.423 61.660 62.300 -0.361 0.000 0.831 219 V CB 1.348 32.897 31.823 -0.457 0.000 1.000 219 V HN 0.792 nan 8.190 nan 0.000 0.433 220 D N 6.059 126.250 120.400 -0.348 0.000 2.769 220 D HA 0.276 4.911 4.640 -0.009 0.000 0.219 220 D C -2.310 174.016 176.300 0.044 0.000 1.245 220 D CA -1.033 52.858 54.000 -0.182 0.000 0.801 220 D CB 3.605 44.157 40.800 -0.415 0.000 1.598 220 D HN 0.202 nan 8.370 nan 0.000 0.485 221 P HA -0.065 nan 4.420 nan 0.000 0.223 221 P C 0.031 177.548 177.300 0.361 0.000 1.144 221 P CA 0.719 64.033 63.100 0.356 0.000 0.783 221 P CB 0.612 32.491 31.700 0.298 0.000 0.771 222 R N -1.332 119.310 120.500 0.237 0.000 2.803 222 R HA 0.410 4.745 4.340 -0.009 0.000 0.276 222 R C -0.851 175.550 176.300 0.170 0.000 0.978 222 R CA -0.954 55.257 56.100 0.184 0.000 0.939 222 R CB 1.231 31.542 30.300 0.019 0.000 1.179 222 R HN -0.085 nan 8.270 nan 0.000 0.472 223 Y N 1.890 122.120 120.300 -0.117 0.000 2.327 223 Y HA 0.216 4.761 4.550 -0.009 0.000 0.336 223 Y C 0.032 175.825 175.900 -0.178 0.000 1.035 223 Y CA 0.199 58.041 58.100 -0.431 0.000 1.165 223 Y CB 0.920 39.054 38.460 -0.543 0.000 1.181 223 Y HN 0.732 nan 8.280 nan 0.000 0.494 224 T N 2.023 116.394 114.554 -0.305 0.000 2.724 224 T HA 0.439 4.784 4.350 -0.009 0.000 0.274 224 T C 0.942 175.488 174.700 -0.257 0.000 0.984 224 T CA -0.894 61.116 62.100 -0.151 0.000 1.024 224 T CB 1.433 70.267 68.868 -0.057 0.000 1.320 224 T HN 0.678 nan 8.240 nan 0.000 0.555 225 R N -0.168 120.225 120.500 -0.178 0.000 2.096 225 R HA -0.046 4.289 4.340 -0.009 0.000 0.235 225 R C 2.439 178.534 176.300 -0.342 0.000 1.127 225 R CA 1.819 57.792 56.100 -0.211 0.000 0.968 225 R CB -1.099 29.096 30.300 -0.175 0.000 0.861 225 R HN 0.681 nan 8.270 nan 0.000 0.440 226 T N 0.863 115.167 114.554 -0.416 0.000 2.684 226 T HA -0.132 4.213 4.350 -0.009 0.000 0.267 226 T C 1.996 176.473 174.700 -0.371 0.000 1.036 226 T CA 1.855 63.644 62.100 -0.519 0.000 1.148 226 T CB -0.182 68.318 68.868 -0.613 0.000 0.863 226 T HN 0.268 nan 8.240 nan 0.000 0.436 227 S N 1.556 116.984 115.700 -0.452 0.000 2.400 227 S HA -0.168 4.296 4.470 -0.009 0.000 0.232 227 S C 2.475 176.806 174.600 -0.447 0.000 1.025 227 S CA 1.668 59.564 58.200 -0.506 0.000 0.993 227 S CB -0.943 61.495 63.200 -1.270 0.000 0.808 227 S HN 0.864 nan 8.310 nan 0.000 0.478 228 T N 0.378 114.691 114.554 -0.401 0.000 2.822 228 T HA -0.087 4.258 4.350 -0.009 0.000 0.270 228 T C 1.406 176.120 174.700 0.023 0.000 1.064 228 T CA 1.019 63.083 62.100 -0.061 0.000 1.131 228 T CB -0.233 68.626 68.868 -0.016 0.000 0.858 228 T HN 0.200 nan 8.240 nan 0.000 0.483 229 K N -0.019 120.397 120.400 0.027 0.000 2.374 229 K HA 0.297 4.612 4.320 -0.009 0.000 0.196 229 K C 0.404 177.089 176.600 0.142 0.000 1.023 229 K CA -0.141 56.221 56.287 0.126 0.000 1.103 229 K CB -0.143 32.523 32.500 0.278 0.000 0.848 229 K HN 0.421 nan 8.250 nan 0.000 0.528 230 C N 1.858 121.233 119.300 0.125 0.000 2.405 230 C HA 0.224 4.679 4.460 -0.009 0.000 0.365 230 C C 1.805 176.885 174.990 0.150 0.000 1.233 230 C CA -0.808 58.302 59.018 0.154 0.000 2.230 230 C CB 0.856 28.713 27.740 0.196 0.000 2.443 230 C HN 0.466 nan 8.230 nan 0.000 0.556 231 D N 0.869 121.351 120.400 0.137 0.000 2.183 231 D HA -0.000 4.634 4.640 -0.009 0.000 0.203 231 D C 0.030 176.415 176.300 0.142 0.000 0.969 231 D CA 1.336 55.409 54.000 0.123 0.000 0.842 231 D CB 0.284 41.145 40.800 0.101 0.000 0.957 231 D HN 0.454 nan 8.370 nan 0.000 0.484 232 L N 0.559 121.881 121.223 0.165 0.000 2.381 232 L HA 0.309 4.644 4.340 -0.009 0.000 0.274 232 L C -1.147 175.861 176.870 0.229 0.000 0.988 232 L CA -1.044 53.898 54.840 0.169 0.000 0.824 232 L CB 2.124 44.263 42.059 0.133 0.000 1.263 232 L HN -0.088 nan 8.230 nan 0.000 0.410 233 Y N 3.448 123.820 120.300 0.121 0.000 2.341 233 Y HA 0.768 5.313 4.550 -0.009 0.000 0.338 233 Y C -0.769 175.180 175.900 0.081 0.000 0.965 233 Y CA -0.931 57.237 58.100 0.114 0.000 1.108 233 Y CB 1.800 40.364 38.460 0.173 0.000 1.180 233 Y HN 0.549 nan 8.280 nan 0.000 0.458 234 A N 8.717 131.040 122.820 -0.828 0.000 2.335 234 A HA 0.700 5.015 4.320 -0.009 0.000 0.304 234 A C -3.099 173.957 177.584 -0.880 0.000 1.118 234 A CA -1.931 49.693 52.037 -0.688 0.000 0.757 234 A CB 0.949 19.773 19.000 -0.294 0.000 1.188 234 A HN 0.532 nan 8.150 nan 0.000 0.460 235 P HA 0.551 nan 4.420 nan 0.000 0.278 235 P C -0.681 176.617 177.300 -0.004 0.000 1.238 235 P CA -0.177 62.800 63.100 -0.205 0.000 0.794 235 P CB 1.137 32.855 31.700 0.030 0.000 0.955 236 L N -0.087 121.203 121.223 0.112 0.000 2.465 236 L HA 0.670 5.005 4.340 -0.009 0.000 0.257 236 L C -0.424 176.401 176.870 -0.074 0.000 0.988 236 L CA -1.478 53.407 54.840 0.076 0.000 0.827 236 L CB 2.558 44.575 42.059 -0.070 0.000 1.397 236 L HN 0.186 nan 8.230 nan 0.000 0.410 237 R N 1.746 122.060 120.500 -0.310 0.000 2.537 237 R HA 0.259 4.593 4.340 -0.009 0.000 0.280 237 R C -0.304 175.788 176.300 -0.348 0.000 1.058 237 R CA -0.106 55.513 56.100 -0.802 0.000 1.057 237 R CB 0.750 30.774 30.300 -0.460 0.000 0.973 237 R HN 0.852 nan 8.270 nan 0.000 0.438 238 S N 2.605 118.120 115.700 -0.309 0.000 2.702 238 S HA 0.080 4.544 4.470 -0.009 0.000 0.314 238 S C 1.121 175.817 174.600 0.159 0.000 1.244 238 S CA 0.741 58.998 58.200 0.095 0.000 1.058 238 S CB 0.606 63.932 63.200 0.211 0.000 0.783 238 S HN 0.966 nan 8.310 nan 0.000 0.503 239 G N 2.277 111.141 108.800 0.106 0.000 2.148 239 G HA2 -0.332 3.623 3.960 -0.009 0.000 0.254 239 G HA3 -0.332 3.623 3.960 -0.009 0.000 0.254 239 G C 0.716 175.481 174.900 -0.224 0.000 0.981 239 G CA 0.485 45.297 45.100 -0.480 0.000 0.670 239 G HN 1.204 nan 8.290 nan 0.000 0.528 240 S N -0.674 115.019 115.700 -0.011 0.000 2.556 240 S HA 0.220 4.685 4.470 -0.009 0.000 0.216 240 S C 1.318 176.021 174.600 0.172 0.000 0.970 240 S CA 0.965 59.274 58.200 0.182 0.000 0.912 240 S CB 0.244 63.520 63.200 0.126 0.000 0.790 240 S HN 0.300 nan 8.310 nan 0.000 0.504 241 D N 2.814 123.248 120.400 0.056 0.000 2.149 241 D HA -0.123 4.512 4.640 -0.009 0.000 0.194 241 D C 1.640 178.010 176.300 0.117 0.000 1.001 241 D CA 1.611 55.653 54.000 0.070 0.000 0.849 241 D CB -0.416 40.398 40.800 0.024 0.000 0.939 241 D HN 0.432 nan 8.370 nan 0.000 0.449 242 I N 0.673 121.292 120.570 0.082 0.000 2.335 242 I HA -0.303 3.862 4.170 -0.009 0.000 0.251 242 I C 2.375 178.507 176.117 0.024 0.000 1.129 242 I CA 0.977 62.302 61.300 0.042 0.000 1.402 242 I CB -0.361 37.634 38.000 -0.008 0.000 1.069 242 I HN 0.035 nan 8.210 nan 0.000 0.424 243 A N 0.724 123.617 122.820 0.122 0.000 1.898 243 A HA -0.247 4.068 4.320 -0.009 0.000 0.216 243 A C 2.218 179.826 177.584 0.039 0.000 1.181 243 A CA 1.279 53.276 52.037 -0.066 0.000 0.620 243 A CB -0.936 17.950 19.000 -0.190 0.000 0.819 243 A HN 0.401 nan 8.150 nan 0.000 0.442 244 F N 0.611 120.565 119.950 0.006 0.000 2.095 244 F HA -0.172 4.349 4.527 -0.009 0.000 0.298 244 F C 1.957 177.787 175.800 0.050 0.000 1.104 244 F CA 1.958 59.999 58.000 0.070 0.000 1.232 244 F CB -0.225 38.802 39.000 0.045 0.000 0.987 244 F HN 0.142 nan 8.300 nan 0.000 0.475 245 L N -0.207 121.127 121.223 0.184 0.000 2.056 245 L HA -0.213 4.122 4.340 -0.009 0.000 0.207 245 L C 2.097 178.843 176.870 -0.207 0.000 1.078 245 L CA 1.163 56.001 54.840 -0.004 0.000 0.749 245 L CB -0.851 41.204 42.059 -0.007 0.000 0.901 245 L HN 0.107 nan 8.230 nan 0.000 0.433 246 N N 0.449 118.982 118.700 -0.279 0.000 2.244 246 N HA -0.111 4.624 4.740 -0.009 0.000 0.183 246 N C 1.871 177.162 175.510 -0.364 0.000 1.016 246 N CA 1.330 54.111 53.050 -0.449 0.000 0.866 246 N CB -0.521 37.309 38.487 -1.095 0.000 0.980 246 N HN 0.316 nan 8.380 nan 0.000 0.430 247 G N 0.687 109.358 108.800 -0.216 0.000 2.422 247 G HA2 -0.241 3.714 3.960 -0.009 0.000 0.218 247 G HA3 -0.241 3.714 3.960 -0.009 0.000 0.218 247 G C 1.488 176.168 174.900 -0.365 0.000 1.146 247 G CA 0.558 45.635 45.100 -0.039 0.000 0.769 247 G HN 0.275 nan 8.290 nan 0.000 0.547 248 M N 0.697 119.855 119.600 -0.738 0.000 2.159 248 M HA -0.081 4.394 4.480 -0.009 0.000 0.263 248 M C 2.545 178.538 176.300 -0.511 0.000 1.063 248 M CA 1.848 56.509 55.300 -1.065 0.000 1.110 248 M CB -0.305 31.803 32.600 -0.820 0.000 1.374 248 M HN 0.207 nan 8.290 nan 0.000 0.411 249 T N 0.631 114.905 114.554 -0.466 0.000 2.746 249 T HA -0.207 4.138 4.350 -0.009 0.000 0.267 249 T C 1.669 176.103 174.700 -0.443 0.000 1.039 249 T CA 1.830 63.593 62.100 -0.562 0.000 1.142 249 T CB -0.299 67.925 68.868 -1.073 0.000 0.866 249 T HN 0.462 nan 8.240 nan 0.000 0.444 250 K N -0.092 120.136 120.400 -0.286 0.000 2.032 250 K HA -0.182 4.132 4.320 -0.009 0.000 0.209 250 K C 2.197 178.784 176.600 -0.022 0.000 1.048 250 K CA 1.399 57.648 56.287 -0.063 0.000 0.927 250 K CB -0.375 32.185 32.500 0.099 0.000 0.712 250 K HN 0.370 nan 8.250 nan 0.000 0.441 251 Y N 1.327 121.523 120.300 -0.173 0.000 2.145 251 Y HA -0.199 4.345 4.550 -0.009 0.000 0.286 251 Y C 1.891 177.738 175.900 -0.089 0.000 1.145 251 Y CA 1.850 59.879 58.100 -0.118 0.000 1.148 251 Y CB -0.088 38.255 38.460 -0.194 0.000 0.981 251 Y HN 0.045 nan 8.280 nan 0.000 0.507 252 I N -0.427 120.149 120.570 0.009 0.000 2.163 252 I HA -0.376 3.789 4.170 -0.009 0.000 0.243 252 I C 2.221 178.392 176.117 0.091 0.000 1.085 252 I CA 1.589 62.907 61.300 0.029 0.000 1.347 252 I CB -0.500 37.511 38.000 0.018 0.000 1.044 252 I HN 0.243 nan 8.210 nan 0.000 0.408 253 L N 0.030 121.265 121.223 0.020 0.000 2.056 253 L HA -0.181 4.154 4.340 -0.009 0.000 0.207 253 L C 2.471 179.408 176.870 0.111 0.000 1.078 253 L CA 1.440 56.324 54.840 0.074 0.000 0.749 253 L CB -0.604 41.356 42.059 -0.166 0.000 0.901 253 L HN 0.221 nan 8.230 nan 0.000 0.433 254 E N 0.059 120.261 120.200 0.002 0.000 2.106 254 E HA -0.137 4.207 4.350 -0.009 0.000 0.192 254 E C 1.426 177.987 176.600 -0.064 0.000 0.984 254 E CA 0.698 57.088 56.400 -0.017 0.000 0.806 254 E CB 0.148 29.828 29.700 -0.033 0.000 0.750 254 E HN 0.275 nan 8.360 nan 0.000 0.458 255 K N 0.748 121.049 120.400 -0.166 0.000 2.417 255 K HA 0.057 4.371 4.320 -0.009 0.000 0.196 255 K C -0.361 176.146 176.600 -0.154 0.000 1.023 255 K CA 0.149 56.306 56.287 -0.215 0.000 1.122 255 K CB 0.226 32.467 32.500 -0.432 0.000 0.850 255 K HN 0.146 nan 8.250 nan 0.000 0.521 256 E N 0.874 121.021 120.200 -0.088 0.000 2.297 256 E HA -0.208 4.137 4.350 -0.009 0.000 0.228 256 E C 0.199 176.542 176.600 -0.428 0.000 1.213 256 E CA 0.116 56.335 56.400 -0.301 0.000 0.712 256 E CB -1.794 27.765 29.700 -0.235 0.000 1.202 256 E HN 0.298 nan 8.360 nan 0.000 0.376 257 L N -0.125 120.958 121.223 -0.233 0.000 2.592 257 L HA 0.075 4.410 4.340 -0.009 0.000 0.227 257 L C 1.106 177.926 176.870 -0.083 0.000 1.127 257 L CA -0.171 54.583 54.840 -0.144 0.000 0.884 257 L CB -0.238 41.799 42.059 -0.037 0.000 1.065 257 L HN 0.270 nan 8.230 nan 0.000 0.457 258 Y N -2.219 118.112 120.300 0.052 0.000 2.330 258 Y HA 0.257 4.802 4.550 -0.009 0.000 0.341 258 Y C -0.114 175.880 175.900 0.156 0.000 1.278 258 Y CA -1.454 56.703 58.100 0.094 0.000 1.453 258 Y CB 0.005 38.548 38.460 0.137 0.000 1.342 258 Y HN -0.137 nan 8.280 nan 0.000 0.590 259 F N 3.808 123.842 119.950 0.139 0.000 2.377 259 F HA 0.324 4.846 4.527 -0.009 0.000 0.360 259 F C 1.110 177.027 175.800 0.194 0.000 1.147 259 F CA -2.045 55.982 58.000 0.045 0.000 1.170 259 F CB 0.399 39.344 39.000 -0.091 0.000 1.339 259 F HN 0.879 nan 8.300 nan 0.000 0.552 260 K N 3.101 123.794 120.400 0.488 0.000 2.020 260 K HA -0.212 4.103 4.320 -0.009 0.000 0.212 260 K C 1.207 177.831 176.600 0.040 0.000 1.050 260 K CA 2.320 58.785 56.287 0.297 0.000 0.929 260 K CB 0.035 32.678 32.500 0.239 0.000 0.714 260 K HN 0.496 nan 8.250 nan 0.000 0.443 261 D N -0.542 119.852 120.400 -0.009 0.000 2.123 261 D HA -0.188 4.446 4.640 -0.009 0.000 0.196 261 D C 1.699 177.772 176.300 -0.378 0.000 0.992 261 D CA 1.097 55.011 54.000 -0.143 0.000 0.833 261 D CB -0.358 40.465 40.800 0.038 0.000 0.954 261 D HN 0.322 nan 8.370 nan 0.000 0.455 262 Y N 1.313 120.995 120.300 -1.030 0.000 2.145 262 Y HA -0.214 4.331 4.550 -0.009 0.000 0.286 262 Y C 2.205 177.939 175.900 -0.276 0.000 1.145 262 Y CA 1.104 58.783 58.100 -0.701 0.000 1.148 262 Y CB -0.449 37.366 38.460 -1.075 0.000 0.981 262 Y HN -0.188 nan 8.280 nan 0.000 0.507 263 V N -0.808 119.150 119.914 0.072 0.000 2.332 263 V HA -0.333 3.781 4.120 -0.009 0.000 0.248 263 V C 2.362 178.417 176.094 -0.065 0.000 1.055 263 V CA 1.839 64.188 62.300 0.083 0.000 1.038 263 V CB -0.952 30.922 31.823 0.084 0.000 0.651 263 V HN 0.360 nan 8.190 nan 0.000 0.450 264 V N 0.523 120.360 119.914 -0.128 0.000 2.307 264 V HA -0.208 3.907 4.120 -0.009 0.000 0.245 264 V C 2.300 178.311 176.094 -0.137 0.000 1.045 264 V CA 2.133 64.348 62.300 -0.142 0.000 1.024 264 V CB -0.814 30.931 31.823 -0.131 0.000 0.651 264 V HN 0.559 nan 8.190 nan 0.000 0.449 265 N N -0.618 117.891 118.700 -0.318 0.000 2.188 265 N HA -0.111 4.624 4.740 -0.009 0.000 0.184 265 N C 1.330 176.585 175.510 -0.425 0.000 1.018 265 N CA 1.502 54.215 53.050 -0.561 0.000 0.858 265 N CB -0.191 37.496 38.487 -1.333 0.000 0.989 265 N HN 0.599 nan 8.380 nan 0.000 0.426 266 Y N -0.850 119.462 120.300 0.021 0.000 2.527 266 Y HA 0.280 4.825 4.550 -0.009 0.000 0.247 266 Y C 0.802 176.761 175.900 0.097 0.000 1.138 266 Y CA -0.726 57.400 58.100 0.044 0.000 1.228 266 Y CB -0.156 38.173 38.460 -0.219 0.000 1.252 266 Y HN -0.104 nan 8.280 nan 0.000 0.531 267 T N -2.279 112.380 114.554 0.176 0.000 2.926 267 T HA 0.260 4.604 4.350 -0.009 0.000 0.289 267 T C 0.547 175.122 174.700 -0.207 0.000 1.054 267 T CA -0.809 61.288 62.100 -0.005 0.000 1.015 267 T CB 1.523 70.381 68.868 -0.016 0.000 1.167 267 T HN 0.136 nan 8.240 nan 0.000 0.526 268 N N 0.108 118.536 118.700 -0.455 0.000 2.362 268 N HA 0.160 4.895 4.740 -0.009 0.000 0.211 268 N C 1.595 176.735 175.510 -0.617 0.000 1.170 268 N CA 0.323 52.730 53.050 -1.072 0.000 0.828 268 N CB -0.572 36.784 38.487 -1.885 0.000 1.034 268 N HN 0.759 nan 8.380 nan 0.000 0.475 269 A N 0.807 123.444 122.820 -0.304 0.000 1.997 269 A HA -0.227 4.087 4.320 -0.009 0.000 0.221 269 A C 2.308 179.824 177.584 -0.114 0.000 1.172 269 A CA 2.072 54.033 52.037 -0.126 0.000 0.645 269 A CB -0.890 18.094 19.000 -0.027 0.000 0.813 269 A HN 0.620 nan 8.150 nan 0.000 0.454 270 S N -1.727 113.880 115.700 -0.156 0.000 2.528 270 S HA 0.205 4.670 4.470 -0.009 0.000 0.219 270 S C 0.271 174.840 174.600 -0.051 0.000 0.985 270 S CA -0.479 57.657 58.200 -0.106 0.000 0.914 270 S CB -0.411 62.702 63.200 -0.144 0.000 0.776 270 S HN 0.151 nan 8.310 nan 0.000 0.526 271 F N 2.810 122.508 119.950 -0.420 0.000 2.572 271 F HA 0.283 4.805 4.527 -0.009 0.000 0.370 271 F C 0.824 176.411 175.800 -0.356 0.000 1.103 271 F CA -1.960 55.750 58.000 -0.484 0.000 1.286 271 F CB 0.081 38.598 39.000 -0.806 0.000 1.105 271 F HN 0.100 nan 8.300 nan 0.000 0.583 272 I N 4.930 125.384 120.570 -0.194 0.000 2.352 272 I HA 0.112 4.277 4.170 -0.009 0.000 0.290 272 I C 0.094 176.168 176.117 -0.072 0.000 1.036 272 I CA -0.448 60.710 61.300 -0.237 0.000 1.336 272 I CB 0.401 38.191 38.000 -0.350 0.000 1.407 272 I HN 0.090 nan 8.210 nan 0.000 0.497 273 V N 6.030 125.873 119.914 -0.119 0.000 2.649 273 V HA 0.413 4.528 4.120 -0.009 0.000 0.292 273 V C 1.173 177.254 176.094 -0.020 0.000 1.055 273 V CA -0.569 61.666 62.300 -0.107 0.000 1.023 273 V CB 1.358 32.921 31.823 -0.433 0.000 0.992 273 V HN 0.947 nan 8.190 nan 0.000 0.480 274 G N 2.316 111.139 108.800 0.037 0.000 2.664 274 G HA2 0.114 4.069 3.960 -0.009 0.000 0.242 274 G HA3 0.114 4.069 3.960 -0.009 0.000 0.242 274 G C 0.567 175.547 174.900 0.133 0.000 1.225 274 G CA -0.288 44.858 45.100 0.076 0.000 0.849 274 G HN 0.853 nan 8.290 nan 0.000 0.581 275 E N 0.490 120.760 120.200 0.116 0.000 2.409 275 E HA -0.066 4.279 4.350 -0.009 0.000 0.198 275 E C 2.434 179.123 176.600 0.149 0.000 1.024 275 E CA 0.554 57.032 56.400 0.131 0.000 0.861 275 E CB 0.034 29.792 29.700 0.097 0.000 0.788 275 E HN 0.584 nan 8.360 nan 0.000 0.521 276 G N 1.063 109.957 108.800 0.158 0.000 2.484 276 G HA2 -0.191 3.764 3.960 -0.009 0.000 0.218 276 G HA3 -0.191 3.764 3.960 -0.009 0.000 0.218 276 G C 0.413 175.459 174.900 0.243 0.000 1.130 276 G CA -0.302 44.897 45.100 0.165 0.000 0.784 276 G HN 0.152 nan 8.290 nan 0.000 0.543 277 F N 1.885 121.947 119.950 0.186 0.000 2.518 277 F HA 0.504 5.026 4.527 -0.009 0.000 0.359 277 F C 0.210 176.141 175.800 0.218 0.000 1.118 277 F CA -0.455 57.694 58.000 0.249 0.000 1.287 277 F CB 0.867 39.988 39.000 0.202 0.000 1.132 277 F HN 0.238 nan 8.300 nan 0.000 0.587 278 A N 5.359 127.591 122.820 -0.979 0.000 2.586 278 A HA 0.683 4.998 4.320 -0.009 0.000 0.291 278 A C -2.232 174.985 177.584 -0.611 0.000 1.062 278 A CA -0.569 51.082 52.037 -0.642 0.000 0.666 278 A CB 0.801 19.699 19.000 -0.170 0.000 1.281 278 A HN 0.910 nan 8.150 nan 0.000 0.421 279 F N 0.286 119.984 119.950 -0.420 0.000 2.605 279 F HA 0.702 5.224 4.527 -0.009 0.000 0.320 279 F C -0.933 174.755 175.800 -0.186 0.000 1.159 279 F CA -0.062 57.740 58.000 -0.329 0.000 0.999 279 F CB 1.967 40.777 39.000 -0.317 0.000 1.258 279 F HN 0.723 nan 8.300 nan 0.000 0.464 280 E N 4.364 124.053 120.200 -0.852 0.000 2.294 280 E HA 0.354 4.698 4.350 -0.009 0.000 0.272 280 E C -0.920 175.262 176.600 -0.698 0.000 0.896 280 E CA -0.204 55.855 56.400 -0.568 0.000 0.802 280 E CB 0.971 30.511 29.700 -0.268 0.000 1.267 280 E HN 0.514 nan 8.360 nan 0.000 0.406 281 E N 3.220 123.082 120.200 -0.563 0.000 2.269 281 E HA -0.268 4.077 4.350 -0.009 0.000 0.223 281 E C 0.654 177.024 176.600 -0.383 0.000 1.244 281 E CA 1.580 57.763 56.400 -0.362 0.000 0.713 281 E CB -1.574 27.995 29.700 -0.219 0.000 1.178 281 E HN 1.129 nan 8.360 nan 0.000 0.370 282 G N -1.258 107.157 108.800 -0.641 0.000 2.217 282 G HA2 -0.320 3.634 3.960 -0.009 0.000 0.246 282 G HA3 -0.320 3.634 3.960 -0.009 0.000 0.246 282 G C 0.270 175.035 174.900 -0.224 0.000 0.990 282 G CA 0.271 45.276 45.100 -0.159 0.000 0.627 282 G HN 0.262 nan 8.290 nan 0.000 0.522 283 L N 0.856 121.739 121.223 -0.568 0.000 2.322 283 L HA 0.687 5.022 4.340 -0.009 0.000 0.281 283 L C 0.465 177.205 176.870 -0.216 0.000 1.014 283 L CA -1.187 53.500 54.840 -0.255 0.000 0.815 283 L CB 1.039 42.955 42.059 -0.238 0.000 1.247 283 L HN 0.011 nan 8.230 nan 0.000 0.421 284 F N 1.323 121.485 119.950 0.353 0.000 2.399 284 F HA 0.407 4.928 4.527 -0.009 0.000 0.313 284 F C 1.116 177.128 175.800 0.353 0.000 1.202 284 F CA -0.015 58.098 58.000 0.188 0.000 1.192 284 F CB 0.571 39.403 39.000 -0.281 0.000 1.256 284 F HN 0.495 nan 8.300 nan 0.000 0.558 285 A N 0.494 123.589 122.820 0.459 0.000 2.386 285 A HA 0.433 4.748 4.320 -0.009 0.000 0.246 285 A C 1.152 179.076 177.584 0.567 0.000 1.089 285 A CA 0.224 52.496 52.037 0.392 0.000 0.790 285 A CB -0.841 18.305 19.000 0.244 0.000 1.042 285 A HN 1.623 nan 8.150 nan 0.000 0.497 286 G N -1.692 107.322 108.800 0.357 0.000 2.148 286 G HA2 -0.251 3.704 3.960 -0.009 0.000 0.254 286 G HA3 -0.251 3.704 3.960 -0.009 0.000 0.254 286 G C -0.003 175.134 174.900 0.395 0.000 0.981 286 G CA 0.631 45.892 45.100 0.269 0.000 0.670 286 G HN 1.423 nan 8.290 nan 0.000 0.528 287 Y N 1.582 122.073 120.300 0.317 0.000 2.377 287 Y HA 0.531 5.076 4.550 -0.009 0.000 0.330 287 Y C 0.301 176.190 175.900 -0.018 0.000 1.108 287 Y CA -1.345 56.792 58.100 0.062 0.000 1.308 287 Y CB 0.817 39.261 38.460 -0.027 0.000 1.216 287 Y HN 0.167 nan 8.280 nan 0.000 0.518 288 N N 5.839 124.187 118.700 -0.586 0.000 2.469 288 N HA 0.091 4.826 4.740 -0.009 0.000 0.253 288 N C 0.345 175.338 175.510 -0.861 0.000 0.970 288 N CA -0.382 52.367 53.050 -0.500 0.000 0.940 288 N CB 0.960 39.271 38.487 -0.293 0.000 1.128 288 N HN 0.856 nan 8.380 nan 0.000 0.503 289 K N 2.539 122.582 120.400 -0.596 0.000 2.211 289 K HA -0.041 4.274 4.320 -0.009 0.000 0.203 289 K C 0.772 177.221 176.600 -0.252 0.000 1.050 289 K CA 1.026 57.059 56.287 -0.424 0.000 0.945 289 K CB 0.279 32.725 32.500 -0.091 0.000 0.732 289 K HN 0.484 nan 8.250 nan 0.000 0.451 290 E N 1.017 121.092 120.200 -0.208 0.000 2.072 290 E HA -0.111 4.234 4.350 -0.009 0.000 0.190 290 E C 1.886 178.406 176.600 -0.134 0.000 0.982 290 E CA 1.808 58.130 56.400 -0.130 0.000 0.803 290 E CB 0.036 29.677 29.700 -0.098 0.000 0.755 290 E HN 0.593 nan 8.360 nan 0.000 0.453 291 T N -2.204 112.241 114.554 -0.180 0.000 3.065 291 T HA 0.128 4.473 4.350 -0.009 0.000 0.252 291 T C 0.700 175.307 174.700 -0.155 0.000 1.099 291 T CA -0.255 61.761 62.100 -0.140 0.000 1.063 291 T CB 0.060 68.854 68.868 -0.123 0.000 0.948 291 T HN 0.047 nan 8.240 nan 0.000 0.506 292 R N 0.801 121.131 120.500 -0.285 0.000 3.422 292 R HA -0.116 4.218 4.340 -0.009 0.000 0.267 292 R C -0.788 175.438 176.300 -0.124 0.000 1.074 292 R CA 0.635 56.599 56.100 -0.227 0.000 0.718 292 R CB -1.754 28.544 30.300 -0.003 0.000 1.157 292 R HN 0.526 nan 8.270 nan 0.000 0.440 293 K N 0.177 120.434 120.400 -0.239 0.000 2.426 293 K HA 0.410 4.724 4.320 -0.009 0.000 0.251 293 K C -0.946 175.610 176.600 -0.074 0.000 0.941 293 K CA -0.820 55.423 56.287 -0.074 0.000 0.808 293 K CB 1.465 33.938 32.500 -0.044 0.000 1.265 293 K HN -0.114 nan 8.250 nan 0.000 0.432 294 Y N 0.550 120.918 120.300 0.113 0.000 2.352 294 Y HA 0.082 4.627 4.550 -0.009 0.000 0.326 294 Y C 0.342 176.141 175.900 -0.168 0.000 1.166 294 Y CA -0.480 57.659 58.100 0.064 0.000 1.182 294 Y CB 0.966 39.510 38.460 0.140 0.000 1.216 294 Y HN 0.493 nan 8.280 nan 0.000 0.474 295 D N 2.508 122.888 120.400 -0.034 0.000 2.393 295 D HA 0.104 4.739 4.640 -0.009 0.000 0.232 295 D C 0.231 176.225 176.300 -0.510 0.000 1.192 295 D CA -0.076 53.809 54.000 -0.192 0.000 0.882 295 D CB 0.670 41.398 40.800 -0.120 0.000 1.038 295 D HN 0.564 nan 8.370 nan 0.000 0.499 296 K N 1.355 121.371 120.400 -0.640 0.000 2.362 296 K HA -0.093 4.221 4.320 -0.009 0.000 0.200 296 K C 1.833 178.020 176.600 -0.689 0.000 1.046 296 K CA 0.730 56.349 56.287 -1.112 0.000 0.952 296 K CB 0.043 32.131 32.500 -0.687 0.000 0.753 296 K HN 0.404 nan 8.250 nan 0.000 0.466 297 S N 1.350 116.824 115.700 -0.378 0.000 2.442 297 S HA -0.088 4.377 4.470 -0.009 0.000 0.236 297 S C 1.648 176.156 174.600 -0.153 0.000 1.007 297 S CA 0.751 58.832 58.200 -0.199 0.000 0.965 297 S CB -0.060 63.066 63.200 -0.123 0.000 0.773 297 S HN 0.134 nan 8.310 nan 0.000 0.504 298 K N 0.270 120.526 120.400 -0.240 0.000 2.360 298 K HA -0.017 4.298 4.320 -0.009 0.000 0.201 298 K C 0.707 177.446 176.600 0.232 0.000 1.046 298 K CA 0.637 56.907 56.287 -0.029 0.000 0.945 298 K CB -0.263 32.238 32.500 0.002 0.000 0.750 298 K HN 0.663 nan 8.250 nan 0.000 0.464 299 W N 1.158 122.486 121.300 0.046 0.000 3.220 299 W HA 0.281 4.936 4.660 -0.009 0.000 0.328 299 W C 0.941 177.404 176.519 -0.093 0.000 1.205 299 W CA -1.129 56.264 57.345 0.081 0.000 1.773 299 W CB -1.038 28.392 29.460 -0.050 0.000 1.086 299 W HN -0.143 nan 8.180 nan 0.000 0.622 300 G N 0.576 109.389 108.800 0.022 0.000 2.636 300 G HA2 0.273 4.228 3.960 -0.009 0.000 0.246 300 G HA3 0.273 4.228 3.960 -0.009 0.000 0.246 300 G C -0.723 174.036 174.900 -0.234 0.000 1.216 300 G CA -0.393 44.594 45.100 -0.189 0.000 0.854 300 G HN -0.179 nan 8.290 nan 0.000 0.572 301 F N -0.604 119.382 119.950 0.059 0.000 2.418 301 F HA 0.264 4.785 4.527 -0.009 0.000 0.341 301 F C 1.048 176.819 175.800 -0.048 0.000 1.120 301 F CA -0.629 57.354 58.000 -0.029 0.000 1.232 301 F CB 0.921 39.898 39.000 -0.038 0.000 1.175 301 F HN 0.431 nan 8.300 nan 0.000 0.569 302 E N 2.575 122.841 120.200 0.110 0.000 2.257 302 E HA 0.207 4.552 4.350 -0.009 0.000 0.278 302 E C -0.541 176.055 176.600 -0.008 0.000 1.049 302 E CA -0.343 56.073 56.400 0.027 0.000 0.876 302 E CB 0.530 30.220 29.700 -0.017 0.000 1.035 302 E HN 0.510 nan 8.360 nan 0.000 0.419 303 R N 2.892 123.391 120.500 -0.002 0.000 2.668 303 R HA 0.190 4.524 4.340 -0.009 0.000 0.279 303 R C -0.323 175.956 176.300 -0.036 0.000 0.976 303 R CA -0.817 55.266 56.100 -0.028 0.000 0.978 303 R CB 0.931 31.232 30.300 0.002 0.000 1.133 303 R HN 0.624 nan 8.270 nan 0.000 0.484 304 D N -0.115 120.254 120.400 -0.053 0.000 2.440 304 D HA -0.064 4.571 4.640 -0.009 0.000 0.269 304 D C 0.732 177.016 176.300 -0.026 0.000 1.249 304 D CA -0.485 53.491 54.000 -0.041 0.000 1.055 304 D CB 0.308 41.077 40.800 -0.052 0.000 1.104 304 D HN 0.603 nan 8.370 nan 0.000 0.561 305 E N -0.936 119.251 120.200 -0.022 0.000 2.153 305 E HA -0.218 4.127 4.350 -0.009 0.000 0.194 305 E C 0.918 177.510 176.600 -0.015 0.000 0.988 305 E CA 0.900 57.291 56.400 -0.015 0.000 0.811 305 E CB -0.056 29.637 29.700 -0.013 0.000 0.746 305 E HN 0.323 nan 8.360 nan 0.000 0.466 306 N N -0.358 118.330 118.700 -0.019 0.000 2.461 306 N HA -0.003 4.732 4.740 -0.009 0.000 0.188 306 N C 0.933 176.435 175.510 -0.014 0.000 1.134 306 N CA 1.006 54.046 53.050 -0.016 0.000 0.878 306 N CB 0.875 39.351 38.487 -0.019 0.000 0.972 306 N HN 0.353 nan 8.380 nan 0.000 0.456 307 G N 0.716 109.506 108.800 -0.016 0.000 2.141 307 G HA2 -0.232 3.723 3.960 -0.009 0.000 0.242 307 G HA3 -0.232 3.723 3.960 -0.009 0.000 0.242 307 G C -0.264 174.628 174.900 -0.013 0.000 0.982 307 G CA -0.367 44.728 45.100 -0.007 0.000 0.662 307 G HN 0.279 nan 8.290 nan 0.000 0.527 308 N N 1.110 119.785 118.700 -0.041 0.000 2.473 308 N HA 0.494 5.229 4.740 -0.009 0.000 0.291 308 N C -2.830 172.586 175.510 -0.157 0.000 1.083 308 N CA -1.564 51.439 53.050 -0.079 0.000 0.951 308 N CB 1.439 39.879 38.487 -0.079 0.000 1.164 308 N HN -0.018 nan 8.380 nan 0.000 0.480 309 P HA -0.010 nan 4.420 nan 0.000 0.262 309 P C -0.057 176.943 177.300 -0.499 0.000 1.182 309 P CA 0.388 63.204 63.100 -0.473 0.000 0.761 309 P CB 0.545 31.583 31.700 -1.103 0.000 0.795 310 K N 3.633 123.828 120.400 -0.341 0.000 2.258 310 K HA 0.296 4.611 4.320 -0.009 0.000 0.264 310 K C 0.431 176.820 176.600 -0.352 0.000 1.007 310 K CA -0.064 56.059 56.287 -0.274 0.000 0.941 310 K CB 0.582 32.975 32.500 -0.179 0.000 0.966 310 K HN 0.413 nan 8.250 nan 0.000 0.480 311 R N 1.167 121.514 120.500 -0.255 0.000 2.673 311 R HA 0.153 4.488 4.340 -0.009 0.000 0.281 311 R C -1.441 174.780 176.300 -0.132 0.000 0.991 311 R CA -0.896 55.069 56.100 -0.225 0.000 0.896 311 R CB 1.676 31.834 30.300 -0.235 0.000 1.201 311 R HN 0.559 nan 8.270 nan 0.000 0.457 312 D N 1.798 122.134 120.400 -0.107 0.000 2.464 312 D HA 0.112 4.747 4.640 -0.009 0.000 0.243 312 D C 0.106 176.367 176.300 -0.065 0.000 1.104 312 D CA -0.350 53.620 54.000 -0.049 0.000 0.883 312 D CB 1.134 41.947 40.800 0.021 0.000 1.050 312 D HN 0.508 nan 8.370 nan 0.000 0.524 313 E N 0.949 121.109 120.200 -0.067 0.000 2.478 313 E HA -0.083 4.262 4.350 -0.009 0.000 0.198 313 E C 1.468 178.016 176.600 -0.087 0.000 1.046 313 E CA 0.868 57.220 56.400 -0.081 0.000 0.870 313 E CB 0.293 29.954 29.700 -0.064 0.000 0.818 313 E HN 0.616 nan 8.360 nan 0.000 0.527 314 T N -1.509 113.005 114.554 -0.067 0.000 3.085 314 T HA 0.002 4.346 4.350 -0.009 0.000 0.263 314 T C 1.183 175.814 174.700 -0.115 0.000 1.127 314 T CA 0.036 62.092 62.100 -0.072 0.000 1.103 314 T CB -0.235 68.610 68.868 -0.037 0.000 0.921 314 T HN 0.226 nan 8.240 nan 0.000 0.510 315 L N -0.752 120.401 121.223 -0.117 0.000 4.040 315 L HA -0.248 4.087 4.340 -0.009 0.000 0.410 315 L C 1.129 177.981 176.870 -0.031 0.000 1.187 315 L CA 0.908 55.659 54.840 -0.148 0.000 0.956 315 L CB -1.852 39.911 42.059 -0.492 0.000 2.022 315 L HN 0.354 nan 8.230 nan 0.000 0.897 316 K N -1.408 119.004 120.400 0.020 0.000 2.370 316 K HA 0.146 4.460 4.320 -0.009 0.000 0.194 316 K C 1.051 177.706 176.600 0.092 0.000 1.070 316 K CA -0.352 55.967 56.287 0.054 0.000 0.998 316 K CB 0.234 32.746 32.500 0.020 0.000 0.911 316 K HN 0.234 nan 8.250 nan 0.000 0.533 317 H N 3.336 122.409 119.070 0.005 0.000 3.115 317 H HA -0.028 4.522 4.556 -0.009 0.000 0.324 317 H C -1.812 173.530 175.328 0.024 0.000 1.007 317 H CA -0.906 55.146 56.048 0.007 0.000 1.385 317 H CB 1.129 30.885 29.762 -0.010 0.000 1.351 317 H HN -0.023 nan 8.280 nan 0.000 0.592 318 P HA -0.066 nan 4.420 nan 0.000 0.223 318 P C 0.669 178.119 177.300 0.251 0.000 1.151 318 P CA 1.202 64.399 63.100 0.162 0.000 0.787 318 P CB 0.306 32.036 31.700 0.050 0.000 0.788 319 R N -0.601 120.171 120.500 0.453 0.000 2.468 319 R HA 0.155 4.490 4.340 -0.009 0.000 0.280 319 R C 0.630 176.896 176.300 -0.057 0.000 0.963 319 R CA -0.280 55.904 56.100 0.141 0.000 1.083 319 R CB -0.286 30.079 30.300 0.108 0.000 1.200 319 R HN 0.281 nan 8.270 nan 0.000 0.541 320 C N -1.641 117.656 119.300 -0.005 0.000 2.604 320 C HA 0.209 4.663 4.460 -0.009 0.000 0.396 320 C C 2.298 177.230 174.990 -0.095 0.000 1.282 320 C CA -1.026 57.941 59.018 -0.085 0.000 2.292 320 C CB 0.787 28.517 27.740 -0.015 0.000 2.633 320 C HN 0.131 nan 8.230 nan 0.000 0.620 321 V N 2.266 122.077 119.914 -0.172 0.000 2.250 321 V HA -0.264 3.850 4.120 -0.009 0.000 0.250 321 V C 2.080 178.122 176.094 -0.086 0.000 1.060 321 V CA 2.979 65.143 62.300 -0.228 0.000 1.030 321 V CB -1.252 30.421 31.823 -0.250 0.000 0.643 321 V HN 0.976 nan 8.190 nan 0.000 0.445 322 F N 0.398 120.257 119.950 -0.152 0.000 2.091 322 F HA -0.256 4.266 4.527 -0.009 0.000 0.299 322 F C 2.619 178.376 175.800 -0.071 0.000 1.103 322 F CA 2.067 59.989 58.000 -0.130 0.000 1.228 322 F CB -0.160 38.746 39.000 -0.155 0.000 0.984 322 F HN 0.149 nan 8.300 nan 0.000 0.477 323 Q N 0.092 119.960 119.800 0.114 0.000 2.172 323 Q HA -0.087 4.248 4.340 -0.009 0.000 0.200 323 Q C 2.503 178.507 176.000 0.006 0.000 0.964 323 Q CA 1.430 57.274 55.803 0.069 0.000 0.855 323 Q CB -0.399 28.418 28.738 0.132 0.000 0.918 323 Q HN 0.525 nan 8.270 nan 0.000 0.444 324 I N 0.379 120.936 120.570 -0.021 0.000 2.226 324 I HA -0.292 3.872 4.170 -0.009 0.000 0.245 324 I C 2.356 178.473 176.117 0.001 0.000 1.100 324 I CA 1.080 62.370 61.300 -0.017 0.000 1.374 324 I CB -0.169 37.721 38.000 -0.183 0.000 1.057 324 I HN 0.189 nan 8.210 nan 0.000 0.413 325 M N -0.132 119.438 119.600 -0.049 0.000 2.132 325 M HA -0.219 4.256 4.480 -0.009 0.000 0.263 325 M C 2.307 178.662 176.300 0.092 0.000 1.065 325 M CA 1.736 57.070 55.300 0.058 0.000 1.122 325 M CB -0.380 32.199 32.600 -0.035 0.000 1.365 325 M HN 0.048 nan 8.290 nan 0.000 0.411 326 K N 0.286 120.616 120.400 -0.118 0.000 2.044 326 K HA -0.238 4.077 4.320 -0.009 0.000 0.210 326 K C 2.080 178.705 176.600 0.041 0.000 1.049 326 K CA 1.530 57.768 56.287 -0.082 0.000 0.927 326 K CB -0.150 32.277 32.500 -0.122 0.000 0.713 326 K HN 0.010 nan 8.250 nan 0.000 0.443 327 K N 0.468 120.903 120.400 0.057 0.000 2.025 327 K HA -0.191 4.124 4.320 -0.009 0.000 0.207 327 K C 1.995 178.642 176.600 0.077 0.000 1.049 327 K CA 1.781 58.117 56.287 0.082 0.000 0.933 327 K CB -0.485 32.081 32.500 0.111 0.000 0.714 327 K HN 0.180 nan 8.250 nan 0.000 0.438 328 H N -1.178 117.856 119.070 -0.059 0.000 2.352 328 H HA -0.127 4.424 4.556 -0.009 0.000 0.299 328 H C 1.052 176.234 175.328 -0.244 0.000 1.097 328 H CA 2.248 58.146 56.048 -0.249 0.000 1.311 328 H CB -0.171 29.311 29.762 -0.468 0.000 1.377 328 H HN 0.329 nan 8.280 nan 0.000 0.504 329 Y N 0.872 121.161 120.300 -0.018 0.000 2.511 329 Y HA 0.008 4.552 4.550 -0.009 0.000 0.279 329 Y C 2.185 178.135 175.900 0.083 0.000 1.157 329 Y CA 0.648 58.758 58.100 0.017 0.000 1.300 329 Y CB -0.110 38.321 38.460 -0.049 0.000 1.052 329 Y HN 0.557 nan 8.280 nan 0.000 0.529 330 E N 0.632 120.911 120.200 0.133 0.000 2.209 330 E HA -0.245 4.100 4.350 -0.009 0.000 0.196 330 E C 1.554 178.191 176.600 0.062 0.000 0.993 330 E CA 1.239 57.694 56.400 0.091 0.000 0.819 330 E CB -0.313 29.419 29.700 0.054 0.000 0.745 330 E HN 0.429 nan 8.360 nan 0.000 0.477 331 R N -0.365 120.132 120.500 -0.005 0.000 2.276 331 R HA 0.005 4.340 4.340 -0.009 0.000 0.203 331 R C 0.259 176.488 176.300 -0.117 0.000 1.017 331 R CA 0.526 56.561 56.100 -0.109 0.000 1.010 331 R CB -0.033 30.122 30.300 -0.242 0.000 0.900 331 R HN 0.244 nan 8.270 nan 0.000 0.469 332 Y N 1.934 122.295 120.300 0.100 0.000 2.994 332 Y HA 0.042 4.587 4.550 -0.009 0.000 0.393 332 Y C -0.084 175.901 175.900 0.141 0.000 1.118 332 Y CA -1.353 56.827 58.100 0.132 0.000 1.906 332 Y CB -0.978 37.464 38.460 -0.029 0.000 1.925 332 Y HN 0.164 nan 8.280 nan 0.000 0.446 333 D N -2.045 118.469 120.400 0.190 0.000 2.362 333 D HA 0.038 4.672 4.640 -0.009 0.000 0.242 333 D C 1.091 177.470 176.300 0.132 0.000 1.132 333 D CA -0.399 53.686 54.000 0.141 0.000 0.907 333 D CB 1.094 41.938 40.800 0.073 0.000 1.195 333 D HN 0.219 nan 8.370 nan 0.000 0.429 334 L N 0.451 121.739 121.223 0.108 0.000 2.043 334 L HA -0.206 4.129 4.340 -0.009 0.000 0.212 334 L C 1.713 178.592 176.870 0.016 0.000 1.075 334 L CA 1.536 56.405 54.840 0.049 0.000 0.752 334 L CB -0.453 41.618 42.059 0.020 0.000 0.891 334 L HN 0.554 nan 8.230 nan 0.000 0.432 335 D N 0.085 120.492 120.400 0.011 0.000 2.123 335 D HA -0.186 4.449 4.640 -0.009 0.000 0.196 335 D C 2.192 178.477 176.300 -0.025 0.000 0.992 335 D CA 1.279 55.272 54.000 -0.013 0.000 0.833 335 D CB -0.056 40.732 40.800 -0.021 0.000 0.954 335 D HN 0.328 nan 8.370 nan 0.000 0.455 336 K N 0.187 120.572 120.400 -0.024 0.000 2.057 336 K HA -0.089 4.226 4.320 -0.009 0.000 0.207 336 K C 2.122 178.733 176.600 0.018 0.000 1.049 336 K CA 0.581 56.817 56.287 -0.084 0.000 0.931 336 K CB 0.077 32.469 32.500 -0.179 0.000 0.714 336 K HN 0.109 nan 8.250 nan 0.000 0.440 337 I N 0.895 121.538 120.570 0.121 0.000 2.226 337 I HA -0.238 3.926 4.170 -0.009 0.000 0.245 337 I C 2.491 178.646 176.117 0.063 0.000 1.100 337 I CA 1.295 62.675 61.300 0.133 0.000 1.374 337 I CB -1.519 36.534 38.000 0.087 0.000 1.057 337 I HN 0.104 nan 8.210 nan 0.000 0.413 338 S N 0.653 116.365 115.700 0.020 0.000 2.370 338 S HA -0.153 4.312 4.470 -0.009 0.000 0.226 338 S C 2.228 176.841 174.600 0.022 0.000 1.033 338 S CA 1.579 59.788 58.200 0.016 0.000 1.011 338 S CB -0.206 62.989 63.200 -0.008 0.000 0.852 338 S HN 0.505 nan 8.310 nan 0.000 0.457 339 A N 0.555 123.372 122.820 -0.005 0.000 1.933 339 A HA -0.006 4.309 4.320 -0.009 0.000 0.218 339 A C 2.082 179.663 177.584 -0.004 0.000 1.175 339 A CA 1.522 53.549 52.037 -0.016 0.000 0.628 339 A CB -0.590 18.375 19.000 -0.059 0.000 0.814 339 A HN 0.563 nan 8.150 nan 0.000 0.444 340 I N -1.108 119.454 120.570 -0.012 0.000 2.585 340 I HA -0.062 4.103 4.170 -0.009 0.000 0.254 340 I C 2.011 178.151 176.117 0.039 0.000 1.129 340 I CA 0.744 62.040 61.300 -0.005 0.000 1.455 340 I CB -0.257 37.696 38.000 -0.077 0.000 1.111 340 I HN 0.385 nan 8.210 nan 0.000 0.433 341 C N 0.401 119.739 119.300 0.063 0.000 2.533 341 C HA 0.436 4.890 4.460 -0.009 0.000 0.272 341 C C 2.090 177.145 174.990 0.109 0.000 1.371 341 C CA 0.432 59.502 59.018 0.086 0.000 1.758 341 C CB -0.951 26.877 27.740 0.146 0.000 1.972 341 C HN 0.745 nan 8.230 nan 0.000 0.522 342 G N 0.228 109.098 108.800 0.117 0.000 2.225 342 G HA2 -0.235 3.719 3.960 -0.009 0.000 0.254 342 G HA3 -0.235 3.719 3.960 -0.009 0.000 0.254 342 G C 0.224 175.204 174.900 0.134 0.000 0.988 342 G CA 0.511 45.709 45.100 0.163 0.000 0.625 342 G HN 0.475 nan 8.290 nan 0.000 0.527 343 T N 3.686 118.308 114.554 0.114 0.000 2.870 343 T HA 0.459 4.804 4.350 -0.009 0.000 0.300 343 T C -2.110 172.612 174.700 0.037 0.000 0.989 343 T CA -0.380 61.766 62.100 0.076 0.000 1.139 343 T CB 1.440 70.373 68.868 0.107 0.000 0.920 343 T HN 0.121 nan 8.240 nan 0.000 0.537 344 P HA 0.048 nan 4.420 nan 0.000 0.262 344 P C 0.847 178.129 177.300 -0.031 0.000 1.182 344 P CA -0.157 62.942 63.100 -0.003 0.000 0.761 344 P CB 0.567 32.266 31.700 -0.003 0.000 0.795 345 K N 4.461 124.838 120.400 -0.039 0.000 2.089 345 K HA -0.281 4.034 4.320 -0.009 0.000 0.210 345 K C 1.701 178.242 176.600 -0.098 0.000 1.048 345 K CA 1.606 57.848 56.287 -0.075 0.000 0.926 345 K CB -0.167 32.303 32.500 -0.050 0.000 0.714 345 K HN 0.426 nan 8.250 nan 0.000 0.448 346 E N 1.020 121.185 120.200 -0.059 0.000 2.110 346 E HA -0.219 4.126 4.350 -0.009 0.000 0.193 346 E C 1.965 178.527 176.600 -0.064 0.000 0.988 346 E CA 1.156 57.525 56.400 -0.051 0.000 0.804 346 E CB -0.180 29.507 29.700 -0.021 0.000 0.745 346 E HN 0.366 nan 8.360 nan 0.000 0.458 347 L N 1.009 122.198 121.223 -0.057 0.000 2.044 347 L HA -0.012 4.323 4.340 -0.009 0.000 0.205 347 L C 2.467 179.281 176.870 -0.092 0.000 1.075 347 L CA 1.274 56.087 54.840 -0.045 0.000 0.747 347 L CB -0.548 41.498 42.059 -0.022 0.000 0.903 347 L HN 0.121 nan 8.230 nan 0.000 0.435 348 I N -1.095 119.373 120.570 -0.169 0.000 2.163 348 I HA -0.313 3.852 4.170 -0.009 0.000 0.243 348 I C 2.364 178.076 176.117 -0.675 0.000 1.085 348 I CA 1.142 62.186 61.300 -0.427 0.000 1.347 348 I CB -0.488 37.166 38.000 -0.577 0.000 1.044 348 I HN 0.285 nan 8.210 nan 0.000 0.408 349 L N 0.998 121.939 121.223 -0.470 0.000 2.042 349 L HA -0.218 4.117 4.340 -0.009 0.000 0.210 349 L C 2.416 179.165 176.870 -0.202 0.000 1.076 349 L CA 1.899 56.512 54.840 -0.378 0.000 0.749 349 L CB -0.634 41.314 42.059 -0.184 0.000 0.893 349 L HN 0.085 nan 8.230 nan 0.000 0.432 350 K N -1.451 118.882 120.400 -0.111 0.000 2.063 350 K HA -0.164 4.151 4.320 -0.009 0.000 0.208 350 K C 1.933 178.548 176.600 0.026 0.000 1.048 350 K CA 1.683 57.959 56.287 -0.018 0.000 0.928 350 K CB -0.311 32.194 32.500 0.009 0.000 0.713 350 K HN 0.226 nan 8.250 nan 0.000 0.442 351 V N 0.479 120.406 119.914 0.022 0.000 2.295 351 V HA -0.255 3.859 4.120 -0.009 0.000 0.246 351 V C 2.079 178.311 176.094 0.230 0.000 1.049 351 V CA 1.595 63.988 62.300 0.156 0.000 1.024 351 V CB -0.587 31.404 31.823 0.281 0.000 0.648 351 V HN 0.233 nan 8.190 nan 0.000 0.447 352 Y N 0.664 120.889 120.300 -0.125 0.000 2.128 352 Y HA -0.202 4.343 4.550 -0.009 0.000 0.284 352 Y C 2.629 178.476 175.900 -0.088 0.000 1.154 352 Y CA 1.115 59.072 58.100 -0.239 0.000 1.149 352 Y CB -1.061 36.948 38.460 -0.751 0.000 0.976 352 Y HN 0.346 nan 8.280 nan 0.000 0.505 353 D N -0.469 119.986 120.400 0.091 0.000 2.117 353 D HA -0.125 4.510 4.640 -0.009 0.000 0.197 353 D C 2.294 178.677 176.300 0.138 0.000 0.987 353 D CA 1.385 55.478 54.000 0.156 0.000 0.829 353 D CB -0.347 40.527 40.800 0.124 0.000 0.961 353 D HN 0.278 nan 8.370 nan 0.000 0.460 354 A N 0.176 123.073 122.820 0.130 0.000 1.858 354 A HA -0.221 4.094 4.320 -0.009 0.000 0.216 354 A C 2.224 179.878 177.584 0.115 0.000 1.190 354 A CA 1.244 53.350 52.037 0.114 0.000 0.617 354 A CB -1.101 17.976 19.000 0.129 0.000 0.827 354 A HN 0.291 nan 8.150 nan 0.000 0.443 355 Y N -0.077 120.277 120.300 0.090 0.000 2.200 355 Y HA -0.226 4.319 4.550 -0.009 0.000 0.290 355 Y C 2.544 178.479 175.900 0.058 0.000 1.137 355 Y CA 1.662 59.810 58.100 0.080 0.000 1.163 355 Y CB -0.421 38.102 38.460 0.104 0.000 0.988 355 Y HN 0.382 nan 8.280 nan 0.000 0.518 356 C N 0.049 119.450 119.300 0.169 0.000 2.472 356 C HA 0.065 4.519 4.460 -0.009 0.000 0.278 356 C C 2.806 177.804 174.990 0.012 0.000 1.447 356 C CA 0.647 59.732 59.018 0.110 0.000 1.773 356 C CB -1.823 26.041 27.740 0.206 0.000 1.793 356 C HN 0.653 nan 8.230 nan 0.000 0.544 357 A N 1.141 123.957 122.820 -0.007 0.000 2.178 357 A HA -0.136 4.178 4.320 -0.009 0.000 0.218 357 A C 2.171 179.692 177.584 -0.105 0.000 1.157 357 A CA 1.956 53.969 52.037 -0.040 0.000 0.689 357 A CB -0.753 18.234 19.000 -0.021 0.000 0.787 357 A HN 0.672 nan 8.150 nan 0.000 0.465 358 T N -3.697 110.751 114.554 -0.176 0.000 3.148 358 T HA 0.173 4.518 4.350 -0.009 0.000 0.253 358 T C 1.542 176.143 174.700 -0.166 0.000 1.134 358 T CA 0.900 62.875 62.100 -0.208 0.000 1.051 358 T CB -0.198 68.467 68.868 -0.338 0.000 0.959 358 T HN 0.324 nan 8.240 nan 0.000 0.525 359 G N 1.559 110.284 108.800 -0.126 0.000 2.535 359 G HA2 -0.017 3.937 3.960 -0.009 0.000 0.218 359 G HA3 -0.017 3.937 3.960 -0.009 0.000 0.218 359 G C 0.576 175.353 174.900 -0.205 0.000 1.122 359 G CA -0.218 44.822 45.100 -0.100 0.000 0.769 359 G HN 0.510 nan 8.290 nan 0.000 0.549 360 K N 0.677 120.938 120.400 -0.232 0.000 2.382 360 K HA 0.113 4.427 4.320 -0.009 0.000 0.275 360 K C -1.645 174.701 176.600 -0.424 0.000 1.009 360 K CA -1.405 54.684 56.287 -0.331 0.000 0.970 360 K CB 1.060 33.432 32.500 -0.214 0.000 0.934 360 K HN -0.115 nan 8.250 nan 0.000 0.479 361 P HA -0.205 nan 4.420 nan 0.000 0.217 361 P C 0.309 177.516 177.300 -0.155 0.000 1.148 361 P CA 1.439 64.164 63.100 -0.625 0.000 0.828 361 P CB 0.126 31.416 31.700 -0.682 0.000 0.783 362 D N -2.835 117.490 120.400 -0.125 0.000 2.388 362 D HA 0.048 4.683 4.640 -0.009 0.000 0.221 362 D C 0.301 176.576 176.300 -0.041 0.000 1.133 362 D CA 0.130 54.114 54.000 -0.028 0.000 0.831 362 D CB -0.053 40.741 40.800 -0.009 0.000 0.962 362 D HN -0.013 nan 8.370 nan 0.000 0.502 363 K N 0.413 120.765 120.400 -0.080 0.000 2.221 363 K HA 0.817 5.132 4.320 -0.009 0.000 0.243 363 K C -0.719 175.835 176.600 -0.077 0.000 0.968 363 K CA -0.984 55.256 56.287 -0.079 0.000 0.846 363 K CB 2.386 34.822 32.500 -0.107 0.000 1.141 363 K HN 0.087 nan 8.250 nan 0.000 0.434 364 A N 0.400 123.172 122.820 -0.079 0.000 2.427 364 A HA 0.710 5.025 4.320 -0.009 0.000 0.298 364 A C -0.433 177.080 177.584 -0.118 0.000 1.036 364 A CA -0.562 51.430 52.037 -0.077 0.000 0.701 364 A CB 1.694 20.676 19.000 -0.031 0.000 1.250 364 A HN 0.596 nan 8.150 nan 0.000 0.412 365 G N 0.113 108.814 108.800 -0.166 0.000 2.452 365 G HA2 0.607 4.562 3.960 -0.009 0.000 0.324 365 G HA3 0.607 4.562 3.960 -0.009 0.000 0.324 365 G C -0.558 174.377 174.900 0.057 0.000 1.214 365 G CA -0.256 44.715 45.100 -0.214 0.000 0.947 365 G HN 0.847 nan 8.290 nan 0.000 0.478 366 T N 0.239 114.896 114.554 0.171 0.000 2.908 366 T HA 0.556 4.901 4.350 -0.009 0.000 0.290 366 T C -1.026 173.826 174.700 0.254 0.000 1.034 366 T CA -0.475 61.734 62.100 0.181 0.000 1.010 366 T CB 1.388 70.301 68.868 0.074 0.000 1.068 366 T HN 0.498 nan 8.240 nan 0.000 0.481 367 I N 4.257 124.931 120.570 0.172 0.000 2.378 367 I HA 0.579 4.743 4.170 -0.009 0.000 0.291 367 I C -0.935 175.253 176.117 0.119 0.000 0.992 367 I CA -0.951 60.422 61.300 0.122 0.000 1.154 367 I CB 1.176 39.212 38.000 0.059 0.000 1.315 367 I HN 0.707 nan 8.210 nan 0.000 0.448 368 M N 8.751 128.438 119.600 0.145 0.000 2.114 368 M HA 0.384 4.859 4.480 -0.009 0.000 0.332 368 M C -1.498 174.949 176.300 0.246 0.000 1.014 368 M CA -0.532 54.860 55.300 0.155 0.000 0.956 368 M CB 1.355 34.044 32.600 0.147 0.000 1.551 368 M HN 0.641 nan 8.290 nan 0.000 0.427 369 Y N 2.123 122.471 120.300 0.080 0.000 2.534 369 Y HA 0.781 5.326 4.550 -0.009 0.000 0.345 369 Y C -0.948 175.031 175.900 0.132 0.000 1.031 369 Y CA -0.513 57.656 58.100 0.114 0.000 1.022 369 Y CB 1.591 40.105 38.460 0.090 0.000 1.292 369 Y HN 0.695 nan 8.280 nan 0.000 0.459 370 A N 4.777 127.417 122.820 -0.300 0.000 1.845 370 A HA 0.334 4.649 4.320 -0.009 0.000 0.188 370 A C -0.252 177.224 177.584 -0.180 0.000 2.173 370 A CA -0.081 51.928 52.037 -0.047 0.000 1.255 370 A CB 0.348 19.464 19.000 0.194 0.000 0.999 370 A HN 0.669 nan 8.150 nan 0.000 0.634 371 M N 2.128 121.609 119.600 -0.199 0.000 2.741 371 M HA 0.385 4.860 4.480 -0.009 0.000 0.283 371 M C 0.516 176.704 176.300 -0.187 0.000 1.176 371 M CA -0.335 54.881 55.300 -0.139 0.000 1.139 371 M CB -0.196 32.356 32.600 -0.079 0.000 1.234 371 M HN 0.578 nan 8.290 nan 0.000 0.497 372 G N 2.403 111.035 108.800 -0.281 0.000 2.335 372 G HA2 -0.058 3.897 3.960 -0.009 0.000 0.285 372 G HA3 -0.058 3.897 3.960 -0.009 0.000 0.285 372 G C -0.912 174.137 174.900 0.249 0.000 1.448 372 G CA -0.354 44.806 45.100 0.100 0.000 1.070 372 G HN 0.730 nan 8.290 nan 0.000 0.564 373 W N -0.200 121.157 121.300 0.094 0.000 2.190 373 W HA 0.370 5.024 4.660 -0.009 0.000 0.330 373 W C 1.971 178.527 176.519 0.063 0.000 1.299 373 W CA 0.297 57.684 57.345 0.069 0.000 1.215 373 W CB 0.612 30.128 29.460 0.092 0.000 1.147 373 W HN 0.535 nan 8.180 nan 0.000 0.563 374 T N -1.446 113.194 114.554 0.143 0.000 3.067 374 T HA -0.026 4.319 4.350 -0.009 0.000 0.261 374 T C 0.662 175.492 174.700 0.217 0.000 1.110 374 T CA 0.267 62.431 62.100 0.106 0.000 1.113 374 T CB -0.057 68.778 68.868 -0.055 0.000 0.917 374 T HN 0.423 nan 8.240 nan 0.000 0.499 375 Q N 1.026 120.986 119.800 0.267 0.000 2.281 375 Q HA 0.098 4.433 4.340 -0.009 0.000 0.267 375 Q C 0.687 176.901 176.000 0.356 0.000 1.053 375 Q CA -0.035 55.940 55.803 0.285 0.000 0.905 375 Q CB 0.375 29.322 28.738 0.348 0.000 1.195 375 Q HN 0.651 nan 8.270 nan 0.000 0.398 376 H N 1.065 120.220 119.070 0.141 0.000 2.457 376 H HA -0.105 4.446 4.556 -0.009 0.000 0.297 376 H C 1.642 177.059 175.328 0.148 0.000 1.092 376 H CA 1.613 57.743 56.048 0.136 0.000 1.309 376 H CB 0.441 30.267 29.762 0.108 0.000 1.382 376 H HN 0.644 nan 8.280 nan 0.000 0.535 377 T N -1.615 113.113 114.554 0.289 0.000 3.155 377 T HA 0.003 4.347 4.350 -0.009 0.000 0.264 377 T C 1.759 176.574 174.700 0.192 0.000 1.160 377 T CA 0.516 62.760 62.100 0.240 0.000 1.075 377 T CB -0.147 68.883 68.868 0.270 0.000 0.921 377 T HN 0.063 nan 8.240 nan 0.000 0.533 378 V N 0.390 120.411 119.914 0.178 0.000 2.948 378 V HA 0.347 4.461 4.120 -0.009 0.000 0.234 378 V C 2.817 178.938 176.094 0.045 0.000 1.205 378 V CA 0.794 63.123 62.300 0.050 0.000 1.234 378 V CB -0.672 31.135 31.823 -0.027 0.000 1.020 378 V HN 0.481 nan 8.190 nan 0.000 0.491 379 G N 0.432 109.315 108.800 0.138 0.000 2.404 379 G HA2 -0.172 3.782 3.960 -0.009 0.000 0.215 379 G HA3 -0.172 3.782 3.960 -0.009 0.000 0.215 379 G C 1.646 176.557 174.900 0.019 0.000 1.174 379 G CA 1.418 46.593 45.100 0.125 0.000 0.780 379 G HN 0.286 nan 8.290 nan 0.000 0.537 380 V N 0.784 120.684 119.914 -0.023 0.000 2.255 380 V HA -0.231 3.884 4.120 -0.009 0.000 0.247 380 V C 2.973 179.035 176.094 -0.054 0.000 1.051 380 V CA 2.063 64.328 62.300 -0.060 0.000 1.018 380 V CB -0.470 31.337 31.823 -0.026 0.000 0.641 380 V HN 0.347 nan 8.190 nan 0.000 0.445 381 Q N -0.557 119.229 119.800 -0.022 0.000 2.230 381 Q HA -0.120 4.214 4.340 -0.009 0.000 0.202 381 Q C 2.131 178.085 176.000 -0.076 0.000 0.963 381 Q CA 0.792 56.568 55.803 -0.045 0.000 0.866 381 Q CB -0.559 28.175 28.738 -0.006 0.000 0.931 381 Q HN 0.604 nan 8.270 nan 0.000 0.452 382 N N 1.082 119.738 118.700 -0.072 0.000 2.084 382 N HA -0.073 4.661 4.740 -0.009 0.000 0.190 382 N C 1.860 177.274 175.510 -0.161 0.000 1.030 382 N CA 0.915 53.911 53.050 -0.090 0.000 0.849 382 N CB -0.140 38.322 38.487 -0.043 0.000 1.012 382 N HN 0.252 nan 8.380 nan 0.000 0.423 383 I N 0.768 121.210 120.570 -0.213 0.000 2.394 383 I HA -0.185 3.979 4.170 -0.009 0.000 0.251 383 I C 2.367 178.354 176.117 -0.216 0.000 1.136 383 I CA 0.642 61.762 61.300 -0.300 0.000 1.425 383 I CB -0.072 37.747 38.000 -0.303 0.000 1.079 383 I HN 0.049 nan 8.210 nan 0.000 0.425 384 R N 0.941 121.339 120.500 -0.171 0.000 2.073 384 R HA -0.119 4.216 4.340 -0.009 0.000 0.234 384 R C 2.429 178.646 176.300 -0.138 0.000 1.134 384 R CA 1.612 57.614 56.100 -0.163 0.000 0.952 384 R CB -0.802 29.414 30.300 -0.140 0.000 0.850 384 R HN 0.378 nan 8.270 nan 0.000 0.433 385 A N 1.310 124.059 122.820 -0.119 0.000 1.892 385 A HA -0.209 4.106 4.320 -0.009 0.000 0.218 385 A C 2.338 179.855 177.584 -0.112 0.000 1.188 385 A CA 1.911 53.885 52.037 -0.105 0.000 0.631 385 A CB -0.509 18.430 19.000 -0.101 0.000 0.822 385 A HN 0.233 nan 8.150 nan 0.000 0.447 386 M N 0.290 119.818 119.600 -0.121 0.000 2.117 386 M HA -0.154 4.320 4.480 -0.009 0.000 0.262 386 M C 2.507 178.780 176.300 -0.044 0.000 1.065 386 M CA 1.907 57.148 55.300 -0.098 0.000 1.114 386 M CB -0.543 31.977 32.600 -0.134 0.000 1.361 386 M HN 0.644 nan 8.290 nan 0.000 0.408 387 S N 0.762 116.420 115.700 -0.071 0.000 2.399 387 S HA -0.109 4.355 4.470 -0.009 0.000 0.231 387 S C 1.783 176.416 174.600 0.054 0.000 1.022 387 S CA 1.046 59.241 58.200 -0.009 0.000 0.983 387 S CB -0.842 62.170 63.200 -0.313 0.000 0.803 387 S HN 0.458 nan 8.310 nan 0.000 0.480 388 I N 2.315 122.865 120.570 -0.033 0.000 2.202 388 I HA -0.157 4.008 4.170 -0.009 0.000 0.242 388 I C 2.388 178.494 176.117 -0.019 0.000 1.091 388 I CA 1.188 62.469 61.300 -0.031 0.000 1.368 388 I CB -0.522 37.429 38.000 -0.082 0.000 1.058 388 I HN 0.289 nan 8.210 nan 0.000 0.410 389 N N 0.521 119.194 118.700 -0.044 0.000 2.166 389 N HA -0.188 4.547 4.740 -0.009 0.000 0.186 389 N C 1.835 177.387 175.510 0.068 0.000 1.019 389 N CA 1.076 54.112 53.050 -0.023 0.000 0.856 389 N CB -0.300 38.156 38.487 -0.052 0.000 0.993 389 N HN 0.375 nan 8.380 nan 0.000 0.426 390 Q N 0.449 120.313 119.800 0.106 0.000 2.167 390 Q HA 0.042 4.376 4.340 -0.009 0.000 0.202 390 Q C 2.300 178.359 176.000 0.098 0.000 0.970 390 Q CA 0.571 56.456 55.803 0.137 0.000 0.855 390 Q CB -0.210 28.637 28.738 0.181 0.000 0.911 390 Q HN 0.440 nan 8.270 nan 0.000 0.438 391 L N -0.058 121.252 121.223 0.145 0.000 2.072 391 L HA -0.128 4.206 4.340 -0.009 0.000 0.205 391 L C 2.358 179.309 176.870 0.135 0.000 1.079 391 L CA 0.591 55.550 54.840 0.198 0.000 0.752 391 L CB -0.412 41.774 42.059 0.213 0.000 0.906 391 L HN 0.159 nan 8.230 nan 0.000 0.436 392 L N -0.399 120.878 121.223 0.090 0.000 2.079 392 L HA -0.222 4.113 4.340 -0.009 0.000 0.210 392 L C 2.022 178.963 176.870 0.117 0.000 1.081 392 L CA 1.192 56.100 54.840 0.112 0.000 0.752 392 L CB -0.327 41.772 42.059 0.068 0.000 0.896 392 L HN 0.299 nan 8.230 nan 0.000 0.433 393 L N -0.296 120.948 121.223 0.036 0.000 2.612 393 L HA 0.182 4.516 4.340 -0.009 0.000 0.230 393 L C 1.280 178.063 176.870 -0.145 0.000 1.140 393 L CA 0.192 55.031 54.840 -0.001 0.000 0.896 393 L CB -0.517 41.548 42.059 0.010 0.000 1.065 393 L HN 0.398 nan 8.230 nan 0.000 0.447 394 G N 0.843 109.342 108.800 -0.502 0.000 2.305 394 G HA2 -0.308 3.647 3.960 -0.009 0.000 0.287 394 G HA3 -0.308 3.647 3.960 -0.009 0.000 0.287 394 G C 0.566 175.122 174.900 -0.573 0.000 1.036 394 G CA 0.420 44.725 45.100 -1.324 0.000 0.887 394 G HN 0.439 nan 8.290 nan 0.000 0.505 395 N N -0.597 117.936 118.700 -0.278 0.000 2.280 395 N HA 0.145 4.880 4.740 -0.009 0.000 0.192 395 N C 0.670 176.194 175.510 0.024 0.000 1.109 395 N CA 0.150 53.161 53.050 -0.065 0.000 0.855 395 N CB 0.353 38.837 38.487 -0.006 0.000 0.974 395 N HN 0.414 nan 8.380 nan 0.000 0.482 396 I N -0.053 120.571 120.570 0.090 0.000 2.353 396 I HA 0.275 4.440 4.170 -0.009 0.000 0.293 396 I C 1.485 177.706 176.117 0.173 0.000 0.992 396 I CA 0.040 61.403 61.300 0.106 0.000 1.268 396 I CB 0.638 38.624 38.000 -0.023 0.000 1.387 396 I HN 0.237 nan 8.210 nan 0.000 0.478 397 G N 4.906 113.753 108.800 0.078 0.000 2.195 397 G HA2 -0.167 3.787 3.960 -0.009 0.000 0.246 397 G HA3 -0.167 3.787 3.960 -0.009 0.000 0.246 397 G C 0.124 175.031 174.900 0.012 0.000 0.984 397 G CA 0.147 45.250 45.100 0.005 0.000 0.633 397 G HN 0.780 nan 8.290 nan 0.000 0.525 398 V N -1.476 118.471 119.914 0.056 0.000 2.850 398 V HA 0.934 5.049 4.120 -0.009 0.000 0.315 398 V C 0.710 176.815 176.094 0.018 0.000 1.064 398 V CA -0.468 61.867 62.300 0.059 0.000 0.979 398 V CB 1.554 33.441 31.823 0.106 0.000 1.039 398 V HN 1.817 nan 8.190 nan 0.000 0.452 399 A N 2.498 125.327 122.820 0.016 0.000 2.524 399 A HA 0.550 4.865 4.320 -0.009 0.000 0.250 399 A C 1.527 179.102 177.584 -0.015 0.000 1.078 399 A CA 0.541 52.574 52.037 -0.007 0.000 0.761 399 A CB -0.701 18.301 19.000 0.003 0.000 1.012 399 A HN 2.820 nan 8.150 nan 0.000 0.500 400 G N 1.467 110.241 108.800 -0.044 0.000 2.179 400 G HA2 -0.038 3.916 3.960 -0.009 0.000 0.260 400 G HA3 -0.038 3.916 3.960 -0.009 0.000 0.260 400 G C 0.875 175.761 174.900 -0.024 0.000 0.977 400 G CA 0.814 45.891 45.100 -0.039 0.000 0.641 400 G HN 1.772 nan 8.290 nan 0.000 0.533 401 G N -1.003 107.787 108.800 -0.016 0.000 3.019 401 G HA2 0.884 4.839 3.960 -0.009 0.000 0.152 401 G HA3 0.884 4.839 3.960 -0.009 0.000 0.152 401 G C 0.896 175.805 174.900 0.015 0.000 1.320 401 G CA 0.826 45.931 45.100 0.008 0.000 1.013 401 G HN 2.063 nan 8.290 nan 0.000 0.593 402 G N -2.832 105.992 108.800 0.040 0.000 2.707 402 G HA2 0.172 4.127 3.960 -0.009 0.000 0.686 402 G HA3 0.172 4.127 3.960 -0.009 0.000 0.686 402 G C -0.825 174.130 174.900 0.091 0.000 1.315 402 G CA -0.240 44.889 45.100 0.049 0.000 0.832 402 G HN 1.345 nan 8.290 nan 0.000 0.573 403 V N 1.957 121.952 119.914 0.135 0.000 2.304 403 V HA 0.328 4.442 4.120 -0.009 0.000 0.269 403 V C 0.081 176.214 176.094 0.065 0.000 1.036 403 V CA -0.991 61.391 62.300 0.137 0.000 0.840 403 V CB 1.268 33.223 31.823 0.219 0.000 1.036 403 V HN 0.585 nan 8.190 nan 0.000 0.466 404 N N 4.554 123.262 118.700 0.013 0.000 2.968 404 N HA 0.262 4.996 4.740 -0.009 0.000 0.271 404 N C 0.373 175.864 175.510 -0.031 0.000 1.174 404 N CA -0.006 52.992 53.050 -0.086 0.000 1.096 404 N CB 1.392 39.781 38.487 -0.163 0.000 1.403 404 N HN 0.761 nan 8.380 nan 0.000 0.522 405 A N 3.211 126.035 122.820 0.007 0.000 2.544 405 A HA 0.229 4.544 4.320 -0.009 0.000 0.301 405 A C 0.635 178.220 177.584 0.001 0.000 1.368 405 A CA -0.432 51.666 52.037 0.101 0.000 1.045 405 A CB -0.335 18.730 19.000 0.107 0.000 1.129 405 A HN 0.572 nan 8.150 nan 0.000 0.540 406 L N 3.023 124.253 121.223 0.011 0.000 2.462 406 L HA 0.166 4.501 4.340 -0.009 0.000 0.272 406 L C 0.700 177.664 176.870 0.156 0.000 1.166 406 L CA -0.482 54.327 54.840 -0.053 0.000 0.880 406 L CB 0.027 41.945 42.059 -0.235 0.000 1.142 406 L HN 0.589 nan 8.230 nan 0.000 0.473 407 R N 1.886 122.497 120.500 0.185 0.000 2.679 407 R HA 0.199 4.534 4.340 -0.009 0.000 0.269 407 R C 0.975 177.681 176.300 0.677 0.000 1.076 407 R CA 0.339 56.617 56.100 0.298 0.000 1.160 407 R CB 0.488 30.955 30.300 0.279 0.000 1.054 407 R HN 0.718 nan 8.270 nan 0.000 0.507 408 G N 1.140 110.426 108.800 0.810 0.000 2.648 408 G HA2 -0.047 3.908 3.960 -0.009 0.000 0.217 408 G HA3 -0.047 3.908 3.960 -0.009 0.000 0.217 408 G C -0.338 174.932 174.900 0.618 0.000 1.386 408 G CA -0.042 45.414 45.100 0.594 0.000 0.920 408 G HN 0.520 nan 8.290 nan 0.000 0.540 409 E N 0.369 120.915 120.200 0.576 0.000 2.392 409 E HA 0.356 4.701 4.350 -0.009 0.000 0.259 409 E C 1.548 178.457 176.600 0.516 0.000 1.108 409 E CA -0.038 56.772 56.400 0.683 0.000 0.916 409 E CB 1.305 31.363 29.700 0.595 0.000 0.989 409 E HN 0.227 nan 8.360 nan 0.000 0.432 410 A N 2.483 125.545 122.820 0.403 0.000 1.986 410 A HA -0.223 4.092 4.320 -0.009 0.000 0.220 410 A C 1.557 179.312 177.584 0.284 0.000 1.171 410 A CA 1.990 54.187 52.037 0.266 0.000 0.640 410 A CB -0.213 18.858 19.000 0.118 0.000 0.811 410 A HN 0.523 nan 8.150 nan 0.000 0.451 411 N N -1.630 117.250 118.700 0.300 0.000 2.305 411 N HA 0.122 4.857 4.740 -0.009 0.000 0.248 411 N C 0.644 176.359 175.510 0.341 0.000 1.290 411 N CA 0.442 53.668 53.050 0.292 0.000 0.873 411 N CB 0.440 39.056 38.487 0.215 0.000 1.261 411 N HN 0.012 nan 8.380 nan 0.000 0.504 412 V N 0.248 120.405 119.914 0.405 0.000 2.594 412 V HA -0.186 3.929 4.120 -0.009 0.000 0.253 412 V C 2.158 178.527 176.094 0.459 0.000 1.069 412 V CA 1.912 64.496 62.300 0.473 0.000 1.082 412 V CB -0.128 32.006 31.823 0.518 0.000 0.680 412 V HN 0.386 nan 8.190 nan 0.000 0.469 413 Q N 0.695 120.742 119.800 0.411 0.000 2.050 413 Q HA -0.043 4.292 4.340 -0.009 0.000 0.202 413 Q C 2.116 178.371 176.000 0.425 0.000 0.980 413 Q CA 2.457 58.511 55.803 0.419 0.000 0.840 413 Q CB -1.095 27.890 28.738 0.411 0.000 0.898 413 Q HN 0.581 nan 8.270 nan 0.000 0.424 414 G N -0.545 108.490 108.800 0.392 0.000 2.402 414 G HA2 -0.236 3.718 3.960 -0.009 0.000 0.216 414 G HA3 -0.236 3.718 3.960 -0.009 0.000 0.216 414 G C 1.571 176.624 174.900 0.256 0.000 1.162 414 G CA 1.208 46.512 45.100 0.341 0.000 0.777 414 G HN 0.543 nan 8.290 nan 0.000 0.539 415 S N 0.172 116.005 115.700 0.221 0.000 2.399 415 S HA -0.114 4.351 4.470 -0.009 0.000 0.231 415 S C 2.210 176.832 174.600 0.038 0.000 1.022 415 S CA 1.992 60.206 58.200 0.023 0.000 0.983 415 S CB -0.670 62.412 63.200 -0.197 0.000 0.803 415 S HN 0.268 nan 8.310 nan 0.000 0.480 416 T N 2.281 117.006 114.554 0.284 0.000 2.770 416 T HA -0.028 4.317 4.350 -0.009 0.000 0.263 416 T C 1.355 176.045 174.700 -0.016 0.000 1.039 416 T CA 1.336 63.614 62.100 0.296 0.000 1.142 416 T CB -0.594 68.541 68.868 0.444 0.000 0.868 416 T HN 0.383 nan 8.240 nan 0.000 0.435 417 D N 0.865 121.267 120.400 0.003 0.000 2.221 417 D HA -0.094 4.541 4.640 -0.009 0.000 0.204 417 D C 1.305 177.323 176.300 -0.471 0.000 0.982 417 D CA 1.019 54.829 54.000 -0.316 0.000 0.857 417 D CB -0.234 40.460 40.800 -0.176 0.000 0.934 417 D HN 0.445 nan 8.370 nan 0.000 0.475 418 H N -0.551 118.485 119.070 -0.057 0.000 2.537 418 H HA 0.306 4.857 4.556 -0.009 0.000 0.295 418 H C 1.163 176.408 175.328 -0.139 0.000 1.054 418 H CA 0.404 56.428 56.048 -0.041 0.000 1.156 418 H CB 0.111 29.893 29.762 0.033 0.000 1.468 418 H HN 0.089 nan 8.280 nan 0.000 0.551 419 G N 1.482 110.199 108.800 -0.139 0.000 2.273 419 G HA2 -0.278 3.677 3.960 -0.009 0.000 0.280 419 G HA3 -0.278 3.677 3.960 -0.009 0.000 0.280 419 G C 0.645 175.472 174.900 -0.121 0.000 1.047 419 G CA 0.050 45.042 45.100 -0.181 0.000 0.869 419 G HN 0.470 nan 8.290 nan 0.000 0.502 420 L N -0.410 120.782 121.223 -0.052 0.000 2.922 420 L HA 0.421 4.756 4.340 -0.009 0.000 0.244 420 L C 0.790 177.799 176.870 0.231 0.000 1.324 420 L CA 0.142 54.983 54.840 0.002 0.000 1.172 420 L CB -0.207 41.756 42.059 -0.159 0.000 1.545 420 L HN 0.256 nan 8.230 nan 0.000 0.438 421 L N -0.911 120.365 121.223 0.089 0.000 2.371 421 L HA 0.276 4.611 4.340 -0.009 0.000 0.262 421 L C 0.895 177.734 176.870 -0.051 0.000 1.006 421 L CA -0.778 54.141 54.840 0.131 0.000 0.818 421 L CB 2.068 44.239 42.059 0.187 0.000 1.354 421 L HN 0.140 nan 8.230 nan 0.000 0.415 422 M N 0.052 119.685 119.600 0.056 0.000 2.296 422 M HA -0.096 4.378 4.480 -0.009 0.000 0.265 422 M C 1.558 177.707 176.300 -0.251 0.000 1.064 422 M CA 1.612 56.817 55.300 -0.157 0.000 1.109 422 M CB -0.529 32.107 32.600 0.060 0.000 1.396 422 M HN 0.619 nan 8.290 nan 0.000 0.430 423 H N 1.084 120.078 119.070 -0.126 0.000 2.553 423 H HA 0.404 4.955 4.556 -0.009 0.000 0.265 423 H C 0.355 175.575 175.328 -0.180 0.000 0.964 423 H CA 0.159 56.158 56.048 -0.081 0.000 1.156 423 H CB -0.321 29.474 29.762 0.055 0.000 1.411 423 H HN 0.627 nan 8.280 nan 0.000 0.558 424 I N -2.409 117.741 120.570 -0.701 0.000 2.769 424 I HA 0.441 4.606 4.170 -0.009 0.000 0.298 424 I C -1.317 174.455 176.117 -0.574 0.000 1.128 424 I CA -1.532 59.407 61.300 -0.601 0.000 1.031 424 I CB 2.007 39.703 38.000 -0.506 0.000 1.235 424 I HN -0.320 nan 8.210 nan 0.000 0.423 425 Y N 2.793 122.921 120.300 -0.287 0.000 2.334 425 Y HA 0.491 5.036 4.550 -0.009 0.000 0.325 425 Y C -2.201 173.442 175.900 -0.427 0.000 1.308 425 Y CA -2.468 55.385 58.100 -0.411 0.000 1.389 425 Y CB -0.029 38.047 38.460 -0.641 0.000 1.328 425 Y HN 0.353 nan 8.280 nan 0.000 0.532 426 P HA 0.043 nan 4.420 nan 0.000 0.263 426 P C 0.373 177.587 177.300 -0.143 0.000 1.175 426 P CA 1.997 65.007 63.100 -0.149 0.000 0.761 426 P CB 0.203 32.010 31.700 0.177 0.000 0.794 427 G N 2.883 111.525 108.800 -0.264 0.000 2.132 427 G HA2 -0.308 3.647 3.960 -0.009 0.000 0.228 427 G HA3 -0.308 3.647 3.960 -0.009 0.000 0.228 427 G C 0.014 175.112 174.900 0.331 0.000 1.000 427 G CA -0.114 44.933 45.100 -0.089 0.000 0.693 427 G HN 0.473 nan 8.290 nan 0.000 0.515 428 Y N -2.592 117.805 120.300 0.161 0.000 3.589 428 Y HA -0.208 4.336 4.550 -0.009 0.000 0.218 428 Y C 1.022 177.059 175.900 0.228 0.000 1.234 428 Y CA 0.951 59.181 58.100 0.217 0.000 1.576 428 Y CB -2.040 36.639 38.460 0.365 0.000 1.487 428 Y HN 0.528 nan 8.280 nan 0.000 0.616 429 L N 0.429 121.788 121.223 0.227 0.000 2.272 429 L HA 0.604 4.939 4.340 -0.009 0.000 0.289 429 L C 1.234 178.102 176.870 -0.004 0.000 1.032 429 L CA -0.450 54.549 54.840 0.265 0.000 0.810 429 L CB 1.344 43.625 42.059 0.371 0.000 1.205 429 L HN 0.363 nan 8.230 nan 0.000 0.422 430 G N 1.667 110.232 108.800 -0.393 0.000 2.414 430 G HA2 0.228 4.183 3.960 -0.009 0.000 0.236 430 G HA3 0.228 4.183 3.960 -0.009 0.000 0.236 430 G C 0.461 175.206 174.900 -0.259 0.000 1.293 430 G CA -0.287 44.489 45.100 -0.539 0.000 0.869 430 G HN 0.658 nan 8.290 nan 0.000 0.556 431 T N -0.247 114.129 114.554 -0.296 0.000 2.898 431 T HA 0.544 4.888 4.350 -0.009 0.000 0.301 431 T C 0.752 175.668 174.700 0.360 0.000 1.049 431 T CA -0.075 61.822 62.100 -0.338 0.000 1.095 431 T CB 1.372 69.894 68.868 -0.576 0.000 0.976 431 T HN 1.100 nan 8.240 nan 0.000 0.539 432 A N 2.845 125.991 122.820 0.543 0.000 2.498 432 A HA 0.498 4.812 4.320 -0.009 0.000 0.239 432 A C 0.605 178.434 177.584 0.408 0.000 1.068 432 A CA -0.391 51.981 52.037 0.558 0.000 0.766 432 A CB 0.031 19.218 19.000 0.311 0.000 1.003 432 A HN 0.750 nan 8.150 nan 0.000 0.497 433 R N 0.849 121.554 120.500 0.341 0.000 2.892 433 R HA 0.587 4.922 4.340 -0.009 0.000 0.265 433 R C 1.184 177.548 176.300 0.106 0.000 1.025 433 R CA -0.091 56.104 56.100 0.157 0.000 0.982 433 R CB 1.444 31.849 30.300 0.176 0.000 1.185 433 R HN 0.783 nan 8.270 nan 0.000 0.484 434 A N 0.693 123.522 122.820 0.016 0.000 1.978 434 A HA -0.166 4.148 4.320 -0.009 0.000 0.220 434 A C 1.367 178.981 177.584 0.051 0.000 1.170 434 A CA 2.264 54.307 52.037 0.009 0.000 0.636 434 A CB -0.397 18.586 19.000 -0.028 0.000 0.810 434 A HN 0.672 nan 8.150 nan 0.000 0.448 435 S N -0.953 114.783 115.700 0.061 0.000 2.660 435 S HA 0.408 4.873 4.470 -0.009 0.000 0.227 435 S C 0.246 174.899 174.600 0.088 0.000 0.948 435 S CA -0.261 57.974 58.200 0.058 0.000 0.948 435 S CB -0.499 62.720 63.200 0.032 0.000 0.779 435 S HN 0.390 nan 8.310 nan 0.000 0.487 436 I N 1.867 122.531 120.570 0.156 0.000 2.697 436 I HA 0.305 4.469 4.170 -0.009 0.000 0.279 436 I C -2.289 174.013 176.117 0.309 0.000 1.171 436 I CA -2.208 59.228 61.300 0.227 0.000 1.135 436 I CB 1.601 39.814 38.000 0.354 0.000 1.445 436 I HN 0.010 nan 8.210 nan 0.000 0.541 437 P HA -0.021 nan 4.420 nan 0.000 0.225 437 P C 0.545 178.030 177.300 0.307 0.000 1.156 437 P CA 1.031 64.265 63.100 0.223 0.000 0.787 437 P CB 0.124 31.897 31.700 0.122 0.000 0.802 438 T N -5.660 109.033 114.554 0.232 0.000 2.916 438 T HA 0.282 4.626 4.350 -0.009 0.000 0.292 438 T C 0.378 174.969 174.700 -0.183 0.000 1.055 438 T CA -0.705 61.476 62.100 0.136 0.000 1.009 438 T CB 0.953 69.862 68.868 0.069 0.000 1.118 438 T HN -0.182 nan 8.240 nan 0.000 0.497 439 Y N 1.583 121.596 120.300 -0.478 0.000 2.207 439 Y HA -0.067 4.478 4.550 -0.009 0.000 0.287 439 Y C 2.090 177.853 175.900 -0.228 0.000 1.156 439 Y CA 1.971 59.649 58.100 -0.703 0.000 1.182 439 Y CB -0.361 37.889 38.460 -0.350 0.000 0.979 439 Y HN 0.839 nan 8.280 nan 0.000 0.521 440 E N 0.108 120.208 120.200 -0.166 0.000 2.106 440 E HA -0.173 4.172 4.350 -0.009 0.000 0.192 440 E C 1.965 178.463 176.600 -0.170 0.000 0.984 440 E CA 1.649 57.950 56.400 -0.165 0.000 0.806 440 E CB -0.187 29.481 29.700 -0.052 0.000 0.750 440 E HN 0.605 nan 8.360 nan 0.000 0.458 441 E N -0.433 119.693 120.200 -0.122 0.000 2.152 441 E HA -0.164 4.181 4.350 -0.009 0.000 0.192 441 E C 1.626 178.155 176.600 -0.118 0.000 0.983 441 E CA 0.633 56.975 56.400 -0.098 0.000 0.818 441 E CB -0.138 29.543 29.700 -0.032 0.000 0.758 441 E HN 0.312 nan 8.360 nan 0.000 0.467 442 Y N 1.746 121.900 120.300 -0.244 0.000 2.114 442 Y HA -0.271 4.274 4.550 -0.009 0.000 0.284 442 Y C 2.686 178.534 175.900 -0.086 0.000 1.143 442 Y CA 2.204 60.241 58.100 -0.104 0.000 1.135 442 Y CB -0.553 37.794 38.460 -0.188 0.000 0.980 442 Y HN 0.074 nan 8.280 nan 0.000 0.499 443 T N -1.746 112.668 114.554 -0.233 0.000 2.821 443 T HA -0.170 4.174 4.350 -0.009 0.000 0.267 443 T C 1.979 176.526 174.700 -0.255 0.000 1.046 443 T CA 1.476 63.466 62.100 -0.183 0.000 1.139 443 T CB -0.437 68.332 68.868 -0.164 0.000 0.871 443 T HN 0.306 nan 8.240 nan 0.000 0.454 444 K N 1.282 121.535 120.400 -0.246 0.000 2.097 444 K HA -0.110 4.205 4.320 -0.009 0.000 0.206 444 K C 2.490 178.892 176.600 -0.330 0.000 1.049 444 K CA 1.314 57.463 56.287 -0.229 0.000 0.933 444 K CB -0.194 32.201 32.500 -0.174 0.000 0.717 444 K HN 0.461 nan 8.250 nan 0.000 0.442 445 K N -0.300 119.823 120.400 -0.462 0.000 2.025 445 K HA -0.116 4.199 4.320 -0.009 0.000 0.207 445 K C 1.312 177.386 176.600 -0.878 0.000 1.049 445 K CA 1.376 57.249 56.287 -0.689 0.000 0.933 445 K CB -0.050 31.901 32.500 -0.915 0.000 0.714 445 K HN 0.028 nan 8.250 nan 0.000 0.438 446 F N 0.774 120.278 119.950 -0.743 0.000 2.732 446 F HA 0.142 4.663 4.527 -0.009 0.000 0.303 446 F C 0.076 175.304 175.800 -0.953 0.000 1.110 446 F CA 0.130 57.497 58.000 -1.055 0.000 1.355 446 F CB 0.582 38.508 39.000 -1.789 0.000 1.081 446 F HN -0.230 nan 8.300 nan 0.000 0.565 447 T N 2.938 117.228 114.554 -0.440 0.000 2.801 447 T HA 0.333 4.678 4.350 -0.009 0.000 0.306 447 T C -2.416 172.220 174.700 -0.107 0.000 1.020 447 T CA -1.561 60.432 62.100 -0.179 0.000 0.948 447 T CB 1.101 69.915 68.868 -0.089 0.000 0.962 447 T HN -0.227 nan 8.240 nan 0.000 0.465 448 P HA 0.409 nan 4.420 nan 0.000 0.275 448 P C -0.901 176.414 177.300 0.024 0.000 1.228 448 P CA -0.514 62.590 63.100 0.008 0.000 0.786 448 P CB 0.687 32.440 31.700 0.089 0.000 0.927 449 V N 1.499 121.423 119.914 0.018 0.000 2.555 449 V HA 0.611 4.726 4.120 -0.009 0.000 0.302 449 V C -0.044 176.072 176.094 0.037 0.000 1.038 449 V CA -0.346 61.963 62.300 0.015 0.000 0.887 449 V CB 1.728 33.547 31.823 -0.007 0.000 0.991 449 V HN 0.648 nan 8.190 nan 0.000 0.434 450 S N 3.053 118.773 115.700 0.034 0.000 2.575 450 S HA 0.488 4.952 4.470 -0.009 0.000 0.278 450 S C -0.107 174.504 174.600 0.018 0.000 1.139 450 S CA -0.734 57.490 58.200 0.040 0.000 0.954 450 S CB 1.493 64.731 63.200 0.062 0.000 1.054 450 S HN 0.745 nan 8.310 nan 0.000 0.483 451 K N 2.176 122.583 120.400 0.011 0.000 2.500 451 K HA 0.192 4.507 4.320 -0.009 0.000 0.206 451 K C -0.459 176.139 176.600 -0.004 0.000 1.034 451 K CA -0.181 56.106 56.287 -0.000 0.000 1.179 451 K CB 0.203 32.701 32.500 -0.003 0.000 0.884 451 K HN 0.422 nan 8.250 nan 0.000 0.493 452 D N 1.511 121.912 120.400 0.000 0.000 2.373 452 D HA 0.087 4.722 4.640 -0.009 0.000 0.227 452 D C -1.653 174.634 176.300 -0.021 0.000 1.091 452 D CA -2.351 51.646 54.000 -0.005 0.000 0.840 452 D CB 1.613 42.420 40.800 0.011 0.000 1.060 452 D HN -0.049 nan 8.370 nan 0.000 0.502 453 P HA -0.057 nan 4.420 nan 0.000 0.233 453 P C 0.759 178.012 177.300 -0.079 0.000 1.167 453 P CA 0.687 63.758 63.100 -0.049 0.000 0.770 453 P CB 0.505 32.184 31.700 -0.035 0.000 0.837 454 Q N -0.622 119.138 119.800 -0.066 0.000 2.403 454 Q HA 0.094 4.429 4.340 -0.009 0.000 0.203 454 Q C 0.601 176.529 176.000 -0.121 0.000 0.932 454 Q CA 0.141 55.889 55.803 -0.091 0.000 0.945 454 Q CB 0.154 28.859 28.738 -0.055 0.000 1.045 454 Q HN 0.074 nan 8.270 nan 0.000 0.511 455 S N -0.441 115.203 115.700 -0.093 0.000 2.438 455 S HA 0.441 4.906 4.470 -0.009 0.000 0.293 455 S C 0.812 175.339 174.600 -0.121 0.000 1.141 455 S CA -0.277 57.877 58.200 -0.077 0.000 1.080 455 S CB 1.300 64.506 63.200 0.009 0.000 0.978 455 S HN 0.322 nan 8.310 nan 0.000 0.479 456 A N 4.906 127.617 122.820 -0.181 0.000 1.908 456 A HA -0.058 4.257 4.320 -0.009 0.000 0.218 456 A C 1.182 178.805 177.584 0.065 0.000 1.181 456 A CA 1.578 53.491 52.037 -0.206 0.000 0.627 456 A CB -1.098 17.771 19.000 -0.218 0.000 0.818 456 A HN 1.288 nan 8.150 nan 0.000 0.445 457 N N -1.867 116.911 118.700 0.131 0.000 2.686 457 N HA -0.215 4.519 4.740 -0.009 0.000 0.261 457 N C 0.199 175.852 175.510 0.238 0.000 1.001 457 N CA 0.920 54.083 53.050 0.188 0.000 0.764 457 N CB -1.626 36.933 38.487 0.120 0.000 0.898 457 N HN 0.666 nan 8.380 nan 0.000 0.544 458 W N -0.105 121.271 121.300 0.127 0.000 2.350 458 W HA -0.175 4.479 4.660 -0.009 0.000 0.289 458 W C 1.057 177.613 176.519 0.060 0.000 1.215 458 W CA 0.928 58.334 57.345 0.102 0.000 1.236 458 W CB -0.472 29.042 29.460 0.091 0.000 1.130 458 W HN 0.686 nan 8.180 nan 0.000 0.541 459 W N 1.190 122.594 121.300 0.173 0.000 2.632 459 W HA -0.197 4.458 4.660 -0.008 0.000 0.248 459 W C 2.801 179.283 176.519 -0.062 0.000 1.259 459 W CA 1.317 58.711 57.345 0.081 0.000 1.288 459 W CB -0.342 29.230 29.460 0.186 0.000 1.136 459 W HN -0.115 nan 8.180 nan 0.000 0.640 460 S N -0.261 115.486 115.700 0.077 0.000 2.440 460 S HA -0.218 4.247 4.470 -0.009 0.000 0.238 460 S C 1.415 175.908 174.600 -0.178 0.000 1.010 460 S CA 1.214 59.394 58.200 -0.032 0.000 0.972 460 S CB -0.563 62.601 63.200 -0.060 0.000 0.774 460 S HN 0.333 nan 8.310 nan 0.000 0.501 461 N N 0.581 119.029 118.700 -0.420 0.000 2.521 461 N HA 0.087 4.822 4.740 -0.009 0.000 0.188 461 N C 0.956 175.973 175.510 -0.823 0.000 1.146 461 N CA 0.306 52.928 53.050 -0.713 0.000 0.893 461 N CB -0.500 37.320 38.487 -1.111 0.000 0.975 461 N HN 0.492 nan 8.380 nan 0.000 0.451 462 F N 2.922 122.615 119.950 -0.428 0.000 2.063 462 F HA -0.238 4.284 4.527 -0.008 0.000 0.296 462 F C -0.820 174.833 175.800 -0.245 0.000 1.093 462 F CA 2.004 59.886 58.000 -0.198 0.000 1.229 462 F CB -1.101 37.925 39.000 0.043 0.000 0.971 462 F HN 0.102 nan 8.300 nan 0.000 0.491 463 P HA -0.155 nan 4.420 nan 0.000 0.220 463 P C 1.040 178.257 177.300 -0.139 0.000 1.148 463 P CA 1.968 65.051 63.100 -0.027 0.000 0.803 463 P CB -0.109 31.601 31.700 0.016 0.000 0.782 464 K N -1.558 118.630 120.400 -0.353 0.000 2.097 464 K HA -0.138 4.177 4.320 -0.009 0.000 0.205 464 K C 1.910 178.441 176.600 -0.115 0.000 1.050 464 K CA 1.325 57.444 56.287 -0.280 0.000 0.938 464 K CB -0.460 31.797 32.500 -0.406 0.000 0.718 464 K HN 0.200 nan 8.250 nan 0.000 0.442 465 Y N 0.807 120.965 120.300 -0.236 0.000 2.243 465 Y HA -0.100 4.445 4.550 -0.009 0.000 0.293 465 Y C 2.768 178.627 175.900 -0.067 0.000 1.124 465 Y CA 0.676 58.649 58.100 -0.212 0.000 1.159 465 Y CB -1.140 36.971 38.460 -0.582 0.000 1.008 465 Y HN 0.079 nan 8.280 nan 0.000 0.527 466 S N 0.280 115.938 115.700 -0.070 0.000 2.368 466 S HA -0.163 4.302 4.470 -0.009 0.000 0.225 466 S C 2.292 177.071 174.600 0.299 0.000 1.030 466 S CA 0.916 59.223 58.200 0.179 0.000 0.999 466 S CB -0.971 62.405 63.200 0.294 0.000 0.844 466 S HN 0.335 nan 8.310 nan 0.000 0.459 467 A N 1.915 124.875 122.820 0.233 0.000 1.902 467 A HA -0.012 4.302 4.320 -0.009 0.000 0.217 467 A C 2.470 180.111 177.584 0.095 0.000 1.181 467 A CA 1.934 54.055 52.037 0.140 0.000 0.623 467 A CB -1.242 17.816 19.000 0.096 0.000 0.818 467 A HN 0.558 nan 8.150 nan 0.000 0.443 468 S N -1.645 114.129 115.700 0.124 0.000 2.383 468 S HA -0.140 4.324 4.470 -0.009 0.000 0.227 468 S C 1.837 176.532 174.600 0.158 0.000 1.026 468 S CA 1.385 59.649 58.200 0.106 0.000 0.981 468 S CB -0.552 62.727 63.200 0.131 0.000 0.818 468 S HN 0.703 nan 8.310 nan 0.000 0.472 469 Y N 2.297 122.677 120.300 0.133 0.000 2.114 469 Y HA -0.099 4.446 4.550 -0.009 0.000 0.284 469 Y C 1.879 177.861 175.900 0.137 0.000 1.143 469 Y CA 1.103 59.306 58.100 0.171 0.000 1.135 469 Y CB -0.611 37.956 38.460 0.178 0.000 0.980 469 Y HN 0.159 nan 8.280 nan 0.000 0.499 470 I N 0.240 120.765 120.570 -0.076 0.000 2.208 470 I HA -0.326 3.839 4.170 -0.009 0.000 0.245 470 I C 2.328 178.431 176.117 -0.023 0.000 1.097 470 I CA 1.449 62.678 61.300 -0.119 0.000 1.363 470 I CB -0.390 37.617 38.000 0.013 0.000 1.051 470 I HN 0.132 nan 8.210 nan 0.000 0.413 471 K N 0.692 121.096 120.400 0.007 0.000 2.148 471 K HA -0.091 4.224 4.320 -0.009 0.000 0.204 471 K C 2.253 178.895 176.600 0.068 0.000 1.050 471 K CA 1.612 57.927 56.287 0.047 0.000 0.942 471 K CB -0.451 32.061 32.500 0.021 0.000 0.724 471 K HN 0.443 nan 8.250 nan 0.000 0.446 472 S N 0.295 116.004 115.700 0.016 0.000 2.442 472 S HA -0.120 4.344 4.470 -0.009 0.000 0.236 472 S C 1.958 176.700 174.600 0.236 0.000 1.007 472 S CA 1.100 59.346 58.200 0.076 0.000 0.965 472 S CB -0.177 63.039 63.200 0.026 0.000 0.773 472 S HN 0.237 nan 8.310 nan 0.000 0.504 473 M N -1.141 118.447 119.600 -0.020 0.000 2.691 473 M HA 0.266 4.741 4.480 -0.009 0.000 0.261 473 M C 0.080 176.096 176.300 -0.474 0.000 1.227 473 M CA 0.356 55.455 55.300 -0.336 0.000 1.197 473 M CB 0.379 32.408 32.600 -0.952 0.000 1.294 473 M HN 0.292 nan 8.290 nan 0.000 0.508 474 W N 1.853 123.170 121.300 0.029 0.000 2.148 474 W HA 0.335 4.990 4.660 -0.009 0.000 0.288 474 W C -2.325 174.200 176.519 0.011 0.000 0.920 474 W CA -1.758 55.601 57.345 0.023 0.000 1.904 474 W CB -0.115 29.385 29.460 0.067 0.000 2.083 474 W HN 0.043 nan 8.180 nan 0.000 0.398 475 P HA -0.126 nan 4.420 nan 0.000 0.222 475 P C 0.778 178.151 177.300 0.121 0.000 1.147 475 P CA 1.579 64.776 63.100 0.161 0.000 0.790 475 P CB 0.521 32.353 31.700 0.220 0.000 0.780 476 D N -0.893 119.573 120.400 0.109 0.000 2.349 476 D HA 0.177 4.812 4.640 -0.009 0.000 0.214 476 D C 0.922 177.260 176.300 0.063 0.000 1.063 476 D CA 0.114 54.160 54.000 0.076 0.000 0.847 476 D CB 0.290 41.121 40.800 0.052 0.000 0.933 476 D HN 0.109 nan 8.370 nan 0.000 0.513 477 A N 1.286 124.153 122.820 0.079 0.000 2.293 477 A HA 0.398 4.713 4.320 -0.009 0.000 0.302 477 A C -0.025 177.530 177.584 -0.049 0.000 1.119 477 A CA -0.650 51.386 52.037 -0.003 0.000 0.823 477 A CB 0.625 19.587 19.000 -0.064 0.000 1.097 477 A HN 0.049 nan 8.150 nan 0.000 0.491 478 D N 0.404 120.748 120.400 -0.092 0.000 2.358 478 D HA 0.237 4.871 4.640 -0.009 0.000 0.244 478 D C 0.814 177.012 176.300 -0.171 0.000 1.163 478 D CA -0.505 53.435 54.000 -0.099 0.000 0.945 478 D CB 0.360 41.115 40.800 -0.075 0.000 1.152 478 D HN 0.301 nan 8.370 nan 0.000 0.451 479 L N 0.366 121.472 121.223 -0.195 0.000 2.079 479 L HA -0.182 4.153 4.340 -0.009 0.000 0.210 479 L C 1.955 178.615 176.870 -0.350 0.000 1.081 479 L CA 1.089 55.713 54.840 -0.360 0.000 0.752 479 L CB -0.598 41.139 42.059 -0.538 0.000 0.896 479 L HN 0.484 nan 8.230 nan 0.000 0.433 480 N N -0.127 118.459 118.700 -0.190 0.000 2.106 480 N HA -0.177 4.557 4.740 -0.009 0.000 0.188 480 N C 1.744 177.185 175.510 -0.114 0.000 1.029 480 N CA 1.173 54.184 53.050 -0.064 0.000 0.848 480 N CB -0.144 38.336 38.487 -0.012 0.000 1.007 480 N HN 0.407 nan 8.380 nan 0.000 0.423 481 E N 0.877 120.942 120.200 -0.224 0.000 2.023 481 E HA -0.127 4.218 4.350 -0.009 0.000 0.196 481 E C 1.933 178.046 176.600 -0.812 0.000 1.003 481 E CA 1.285 57.442 56.400 -0.405 0.000 0.809 481 E CB -0.109 29.384 29.700 -0.346 0.000 0.755 481 E HN 0.335 nan 8.360 nan 0.000 0.449 482 A N 0.474 122.850 122.820 -0.741 0.000 1.972 482 A HA -0.217 4.097 4.320 -0.009 0.000 0.219 482 A C 2.003 179.249 177.584 -0.564 0.000 1.169 482 A CA 1.422 52.930 52.037 -0.883 0.000 0.635 482 A CB -0.801 18.009 19.000 -0.317 0.000 0.810 482 A HN 0.467 nan 8.150 nan 0.000 0.446 483 Y N 0.965 121.025 120.300 -0.399 0.000 2.207 483 Y HA -0.119 4.425 4.550 -0.009 0.000 0.287 483 Y C 2.317 178.122 175.900 -0.157 0.000 1.156 483 Y CA 1.419 59.402 58.100 -0.196 0.000 1.182 483 Y CB -0.685 37.753 38.460 -0.038 0.000 0.979 483 Y HN 0.225 nan 8.280 nan 0.000 0.521 484 G N -1.443 107.192 108.800 -0.275 0.000 2.509 484 G HA2 -0.245 3.710 3.960 -0.009 0.000 0.218 484 G HA3 -0.245 3.710 3.960 -0.009 0.000 0.218 484 G C 1.065 175.874 174.900 -0.151 0.000 1.124 484 G CA 0.642 45.608 45.100 -0.223 0.000 0.776 484 G HN 0.449 nan 8.290 nan 0.000 0.547 485 Y N 0.189 120.226 120.300 -0.437 0.000 2.519 485 Y HA 0.304 4.849 4.550 -0.009 0.000 0.287 485 Y C 1.522 177.241 175.900 -0.301 0.000 1.128 485 Y CA -1.006 56.770 58.100 -0.540 0.000 1.282 485 Y CB -0.389 37.280 38.460 -1.318 0.000 1.027 485 Y HN 0.005 nan 8.280 nan 0.000 0.551 486 L N 4.107 125.273 121.223 -0.095 0.000 2.367 486 L HA 0.177 4.512 4.340 -0.009 0.000 0.275 486 L C -1.981 174.921 176.870 0.052 0.000 1.129 486 L CA -1.839 53.039 54.840 0.064 0.000 0.839 486 L CB 0.589 42.637 42.059 -0.018 0.000 1.133 486 L HN -0.140 nan 8.230 nan 0.000 0.453 487 P HA 0.082 nan 4.420 nan 0.000 0.271 487 P C -1.275 176.108 177.300 0.139 0.000 1.216 487 P CA -0.220 62.941 63.100 0.103 0.000 0.776 487 P CB 0.703 32.490 31.700 0.144 0.000 0.881 488 K N 1.727 122.091 120.400 -0.060 0.000 2.235 488 K HA 0.490 4.805 4.320 -0.009 0.000 0.266 488 K C 0.708 176.978 176.600 -0.550 0.000 0.980 488 K CA -0.717 55.485 56.287 -0.143 0.000 0.849 488 K CB 1.679 34.138 32.500 -0.069 0.000 1.098 488 K HN 0.497 nan 8.250 nan 0.000 0.445 489 G N 2.217 110.344 108.800 -1.122 0.000 2.483 489 G HA2 0.031 3.986 3.960 -0.009 0.000 0.248 489 G HA3 0.031 3.986 3.960 -0.009 0.000 0.248 489 G C -0.148 174.512 174.900 -0.401 0.000 1.248 489 G CA -0.442 43.831 45.100 -1.379 0.000 0.838 489 G HN 0.471 nan 8.290 nan 0.000 0.566 490 E N 1.174 121.289 120.200 -0.141 0.000 2.442 490 E HA -0.019 4.326 4.350 -0.009 0.000 0.262 490 E C 0.120 176.705 176.600 -0.025 0.000 1.004 490 E CA 0.189 56.556 56.400 -0.054 0.000 0.928 490 E CB 0.651 30.335 29.700 -0.028 0.000 0.937 490 E HN 0.404 nan 8.360 nan 0.000 0.446 491 D N 0.930 121.318 120.400 -0.020 0.000 2.458 491 D HA 0.126 4.761 4.640 -0.009 0.000 0.243 491 D C 1.223 177.523 176.300 -0.001 0.000 1.146 491 D CA 0.996 54.998 54.000 0.003 0.000 0.877 491 D CB 0.792 41.594 40.800 0.003 0.000 1.176 491 D HN 0.666 nan 8.370 nan 0.000 0.461 492 G N 2.052 110.863 108.800 0.019 0.000 2.184 492 G HA2 -0.327 3.628 3.960 -0.009 0.000 0.264 492 G HA3 -0.327 3.628 3.960 -0.009 0.000 0.264 492 G C 0.525 175.415 174.900 -0.017 0.000 0.975 492 G CA 0.769 45.874 45.100 0.007 0.000 0.642 492 G HN 0.544 nan 8.290 nan 0.000 0.536 493 K N 1.242 121.619 120.400 -0.038 0.000 2.258 493 K HA 0.524 4.838 4.320 -0.009 0.000 0.284 493 K C -0.353 176.152 176.600 -0.157 0.000 1.051 493 K CA -0.613 55.573 56.287 -0.168 0.000 0.923 493 K CB 0.950 33.255 32.500 -0.326 0.000 1.046 493 K HN 0.124 nan 8.250 nan 0.000 0.474 494 D N 3.431 123.727 120.400 -0.173 0.000 2.277 494 D HA 0.098 4.733 4.640 -0.009 0.000 0.249 494 D C -0.800 175.403 176.300 -0.161 0.000 1.134 494 D CA -0.039 53.933 54.000 -0.047 0.000 0.863 494 D CB 0.387 41.182 40.800 -0.007 0.000 1.143 494 D HN 0.588 nan 8.370 nan 0.000 0.458 495 Y N 1.797 122.131 120.300 0.057 0.000 2.681 495 Y HA 0.183 4.728 4.550 -0.009 0.000 0.267 495 Y C 1.012 177.023 175.900 0.184 0.000 1.166 495 Y CA -0.534 57.559 58.100 -0.011 0.000 1.209 495 Y CB 0.043 38.417 38.460 -0.143 0.000 1.161 495 Y HN 0.324 nan 8.280 nan 0.000 0.534 496 S N -1.515 114.368 115.700 0.305 0.000 2.686 496 S HA 0.009 4.473 4.470 -0.009 0.000 0.270 496 S C 1.008 175.822 174.600 0.357 0.000 1.194 496 S CA -0.747 57.647 58.200 0.323 0.000 0.990 496 S CB 0.431 63.783 63.200 0.253 0.000 1.029 496 S HN 0.507 nan 8.310 nan 0.000 0.560 497 W N 0.154 121.574 121.300 0.201 0.000 2.359 497 W HA -0.130 4.525 4.660 -0.009 0.000 0.275 497 W C 1.549 178.190 176.519 0.203 0.000 1.217 497 W CA 0.963 58.454 57.345 0.243 0.000 1.196 497 W CB -0.842 28.764 29.460 0.244 0.000 1.129 497 W HN 0.734 nan 8.180 nan 0.000 0.566 498 L N 1.477 122.936 121.223 0.394 0.000 2.081 498 L HA -0.232 4.102 4.340 -0.009 0.000 0.212 498 L C 2.494 179.471 176.870 0.178 0.000 1.080 498 L CA 3.360 58.343 54.840 0.238 0.000 0.754 498 L CB -0.815 41.313 42.059 0.115 0.000 0.893 498 L HN 0.052 nan 8.230 nan 0.000 0.433 499 T N -5.480 109.168 114.554 0.156 0.000 2.958 499 T HA 0.073 4.418 4.350 -0.009 0.000 0.256 499 T C 1.788 176.521 174.700 0.056 0.000 0.983 499 T CA 0.403 62.558 62.100 0.093 0.000 0.924 499 T CB -0.539 68.367 68.868 0.064 0.000 1.136 499 T HN 0.240 nan 8.240 nan 0.000 0.506 500 L N 0.265 121.511 121.223 0.038 0.000 1.997 500 L HA -0.057 4.277 4.340 -0.009 0.000 0.216 500 L C 2.116 178.685 176.870 -0.500 0.000 1.074 500 L CA 2.058 56.739 54.840 -0.264 0.000 0.763 500 L CB -0.426 41.400 42.059 -0.389 0.000 0.890 500 L HN 0.212 nan 8.230 nan 0.000 0.434 501 F N -0.134 119.659 119.950 -0.262 0.000 2.234 501 F HA -0.195 4.326 4.527 -0.009 0.000 0.299 501 F C 2.246 177.958 175.800 -0.147 0.000 1.087 501 F CA 1.558 59.392 58.000 -0.276 0.000 1.340 501 F CB -0.574 38.255 39.000 -0.285 0.000 1.031 501 F HN 0.272 nan 8.300 nan 0.000 0.500 502 D N 0.067 120.500 120.400 0.055 0.000 2.117 502 D HA -0.177 4.457 4.640 -0.009 0.000 0.198 502 D C 1.702 178.024 176.300 0.037 0.000 0.982 502 D CA 1.503 55.529 54.000 0.043 0.000 0.828 502 D CB -0.114 40.693 40.800 0.012 0.000 0.967 502 D HN 0.024 nan 8.370 nan 0.000 0.464 503 D N -0.248 120.127 120.400 -0.042 0.000 2.144 503 D HA -0.168 4.467 4.640 -0.009 0.000 0.199 503 D C 1.986 178.202 176.300 -0.140 0.000 0.984 503 D CA 0.606 54.558 54.000 -0.080 0.000 0.834 503 D CB -0.364 40.373 40.800 -0.104 0.000 0.955 503 D HN 0.349 nan 8.370 nan 0.000 0.465 504 M N -0.640 118.823 119.600 -0.228 0.000 2.117 504 M HA -0.188 4.287 4.480 -0.009 0.000 0.262 504 M C 2.021 178.251 176.300 -0.117 0.000 1.065 504 M CA 1.249 56.393 55.300 -0.260 0.000 1.114 504 M CB -0.132 32.224 32.600 -0.407 0.000 1.361 504 M HN -0.031 nan 8.290 nan 0.000 0.408 505 F N 1.204 121.068 119.950 -0.144 0.000 2.171 505 F HA -0.219 4.303 4.527 -0.009 0.000 0.300 505 F C 1.977 177.728 175.800 -0.082 0.000 1.090 505 F CA 1.701 59.645 58.000 -0.095 0.000 1.293 505 F CB -0.128 38.833 39.000 -0.065 0.000 1.013 505 F HN 0.272 nan 8.300 nan 0.000 0.486 506 Q N -0.248 119.580 119.800 0.047 0.000 2.444 506 Q HA 0.183 4.518 4.340 -0.009 0.000 0.206 506 Q C 1.420 177.366 176.000 -0.090 0.000 0.948 506 Q CA 0.532 56.325 55.803 -0.016 0.000 0.946 506 Q CB 0.098 28.856 28.738 0.033 0.000 1.027 506 Q HN 0.578 nan 8.270 nan 0.000 0.513 507 G N 1.404 110.123 108.800 -0.135 0.000 2.157 507 G HA2 -0.297 3.657 3.960 -0.009 0.000 0.248 507 G HA3 -0.297 3.657 3.960 -0.009 0.000 0.248 507 G C 0.724 175.557 174.900 -0.113 0.000 0.979 507 G CA 0.339 45.358 45.100 -0.134 0.000 0.650 507 G HN 0.315 nan 8.290 nan 0.000 0.529 508 K N -0.563 119.769 120.400 -0.114 0.000 2.366 508 K HA 0.211 4.526 4.320 -0.009 0.000 0.198 508 K C 0.768 177.288 176.600 -0.134 0.000 1.044 508 K CA 0.544 56.775 56.287 -0.093 0.000 0.973 508 K CB 0.345 32.808 32.500 -0.062 0.000 0.767 508 K HN 0.381 nan 8.250 nan 0.000 0.475 509 I N 1.701 122.140 120.570 -0.218 0.000 2.362 509 I HA 0.115 4.280 4.170 -0.009 0.000 0.289 509 I C 0.739 176.698 176.117 -0.263 0.000 0.994 509 I CA -0.232 60.901 61.300 -0.278 0.000 1.158 509 I CB 1.678 39.415 38.000 -0.438 0.000 1.315 509 I HN -0.111 nan 8.210 nan 0.000 0.451 510 K N 3.868 124.118 120.400 -0.251 0.000 2.202 510 K HA 0.209 4.524 4.320 -0.009 0.000 0.201 510 K C 0.905 177.132 176.600 -0.623 0.000 1.051 510 K CA 0.398 56.508 56.287 -0.295 0.000 0.977 510 K CB 0.501 32.904 32.500 -0.163 0.000 0.792 510 K HN 0.722 nan 8.250 nan 0.000 0.469 511 G N 0.634 108.929 108.800 -0.842 0.000 2.524 511 G HA2 0.536 4.491 3.960 -0.009 0.000 0.310 511 G HA3 0.536 4.491 3.960 -0.009 0.000 0.310 511 G C -1.756 172.661 174.900 -0.805 0.000 1.279 511 G CA -0.311 43.733 45.100 -1.761 0.000 0.974 511 G HN -0.001 nan 8.290 nan 0.000 0.484 512 F N 1.314 120.787 119.950 -0.796 0.000 2.574 512 F HA 0.681 5.203 4.527 -0.009 0.000 0.313 512 F C -1.762 174.010 175.800 -0.046 0.000 1.130 512 F CA -2.341 55.503 58.000 -0.260 0.000 0.936 512 F CB 1.684 40.570 39.000 -0.189 0.000 1.219 512 F HN 0.338 nan 8.300 nan 0.000 0.445 513 F N 5.094 124.952 119.950 -0.153 0.000 2.391 513 F HA 0.594 5.116 4.527 -0.008 0.000 0.359 513 F C 0.514 175.961 175.800 -0.589 0.000 1.122 513 F CA -0.564 57.412 58.000 -0.040 0.000 1.120 513 F CB 1.428 40.675 39.000 0.412 0.000 1.142 513 F HN 0.631 nan 8.300 nan 0.000 0.483 514 A N 5.401 128.040 122.820 -0.302 0.000 2.880 514 A HA 0.184 4.499 4.320 -0.009 0.000 0.328 514 A C -1.044 176.630 177.584 0.151 0.000 1.440 514 A CA -0.429 51.516 52.037 -0.153 0.000 1.068 514 A CB -0.192 18.811 19.000 0.004 0.000 1.163 514 A HN 0.805 nan 8.150 nan 0.000 0.510 515 W N 2.560 123.932 121.300 0.121 0.000 2.316 515 W HA 0.427 5.082 4.660 -0.009 0.000 0.339 515 W C 0.791 177.359 176.519 0.082 0.000 1.002 515 W CA 0.586 57.984 57.345 0.089 0.000 1.465 515 W CB 0.593 30.042 29.460 -0.018 0.000 1.300 515 W HN 1.253 nan 8.180 nan 0.000 0.378 516 G N 3.614 112.548 108.800 0.225 0.000 2.176 516 G HA2 -0.275 3.680 3.960 -0.009 0.000 0.252 516 G HA3 -0.275 3.680 3.960 -0.009 0.000 0.252 516 G C -0.040 175.040 174.900 0.300 0.000 1.024 516 G CA 0.073 45.325 45.100 0.252 0.000 0.755 516 G HN 0.518 nan 8.290 nan 0.000 0.507 517 Q N -1.474 118.514 119.800 0.313 0.000 2.501 517 Q HA 0.533 4.867 4.340 -0.009 0.000 0.288 517 Q C -0.848 175.351 176.000 0.332 0.000 1.051 517 Q CA -1.046 54.972 55.803 0.359 0.000 0.788 517 Q CB 1.553 30.578 28.738 0.479 0.000 1.469 517 Q HN 0.109 nan 8.270 nan 0.000 0.416 518 N N 1.182 120.083 118.700 0.335 0.000 2.723 518 N HA 0.218 4.952 4.740 -0.009 0.000 0.290 518 N C -2.155 173.535 175.510 0.300 0.000 1.882 518 N CA -1.957 51.263 53.050 0.284 0.000 0.851 518 N CB 0.843 39.455 38.487 0.210 0.000 1.234 518 N HN 0.266 nan 8.380 nan 0.000 0.491 519 P HA -0.087 nan 4.420 nan 0.000 0.225 519 P C 0.863 178.230 177.300 0.112 0.000 1.148 519 P CA 0.602 63.872 63.100 0.283 0.000 0.779 519 P CB 0.257 32.098 31.700 0.234 0.000 0.780 520 A N -1.198 121.715 122.820 0.156 0.000 2.172 520 A HA -0.074 4.240 4.320 -0.009 0.000 0.216 520 A C 2.131 179.793 177.584 0.130 0.000 1.154 520 A CA 1.244 53.363 52.037 0.137 0.000 0.701 520 A CB -1.263 17.876 19.000 0.231 0.000 0.789 520 A HN 0.282 nan 8.150 nan 0.000 0.465 521 C N -2.045 117.336 119.300 0.135 0.000 3.095 521 C HA 0.121 4.576 4.460 -0.009 0.000 0.472 521 C C 2.885 177.972 174.990 0.161 0.000 1.348 521 C CA 0.615 59.709 59.018 0.127 0.000 2.206 521 C CB -0.289 27.513 27.740 0.104 0.000 3.088 521 C HN 0.728 nan 8.230 nan 0.000 0.599 522 S N 0.748 116.573 115.700 0.207 0.000 2.501 522 S HA 0.192 4.657 4.470 -0.009 0.000 0.220 522 S C 0.990 175.623 174.600 0.056 0.000 0.997 522 S CA 0.621 58.933 58.200 0.186 0.000 0.919 522 S CB -0.300 63.060 63.200 0.265 0.000 0.778 522 S HN 0.532 nan 8.310 nan 0.000 0.523 523 G N 1.096 109.962 108.800 0.110 0.000 2.476 523 G HA2 0.592 4.546 3.960 -0.009 0.000 0.269 523 G HA3 0.592 4.546 3.960 -0.009 0.000 0.269 523 G C 0.067 174.918 174.900 -0.082 0.000 1.195 523 G CA -0.350 44.796 45.100 0.077 0.000 0.843 523 G HN 0.610 nan 8.290 nan 0.000 0.545 524 A N 1.296 124.058 122.820 -0.097 0.000 2.466 524 A HA 0.390 4.705 4.320 -0.009 0.000 0.238 524 A C 1.128 178.601 177.584 -0.183 0.000 1.074 524 A CA 0.343 52.275 52.037 -0.176 0.000 0.774 524 A CB -0.105 18.793 19.000 -0.170 0.000 1.015 524 A HN 1.543 nan 8.150 nan 0.000 0.498 525 N N 0.618 119.188 118.700 -0.216 0.000 2.641 525 N HA -0.157 4.578 4.740 -0.009 0.000 0.267 525 N C 0.892 176.313 175.510 -0.148 0.000 1.087 525 N CA 0.896 53.830 53.050 -0.193 0.000 0.731 525 N CB -1.366 37.003 38.487 -0.197 0.000 0.886 525 N HN 0.616 nan 8.380 nan 0.000 0.547 526 S N 0.654 116.283 115.700 -0.118 0.000 2.380 526 S HA -0.166 4.299 4.470 -0.009 0.000 0.229 526 S C 1.601 176.180 174.600 -0.035 0.000 1.043 526 S CA 1.259 59.422 58.200 -0.061 0.000 1.038 526 S CB -0.105 63.086 63.200 -0.015 0.000 0.872 526 S HN 0.602 nan 8.310 nan 0.000 0.456 527 N N 1.168 119.841 118.700 -0.045 0.000 2.069 527 N HA -0.118 4.617 4.740 -0.009 0.000 0.191 527 N C 1.695 177.198 175.510 -0.012 0.000 1.031 527 N CA 1.205 54.242 53.050 -0.023 0.000 0.852 527 N CB -0.298 38.168 38.487 -0.035 0.000 1.018 527 N HN 0.488 nan 8.380 nan 0.000 0.423 528 K N 0.314 120.677 120.400 -0.061 0.000 2.062 528 K HA 0.007 4.322 4.320 -0.009 0.000 0.205 528 K C 1.802 178.389 176.600 -0.022 0.000 1.051 528 K CA 1.125 57.366 56.287 -0.076 0.000 0.941 528 K CB -0.031 32.329 32.500 -0.233 0.000 0.719 528 K HN -0.000 nan 8.250 nan 0.000 0.440 529 T N 0.951 115.458 114.554 -0.079 0.000 2.684 529 T HA -0.131 4.214 4.350 -0.009 0.000 0.267 529 T C 1.768 176.445 174.700 -0.038 0.000 1.036 529 T CA 1.500 63.537 62.100 -0.106 0.000 1.148 529 T CB -0.160 68.573 68.868 -0.225 0.000 0.863 529 T HN 0.311 nan 8.240 nan 0.000 0.436 530 R N 0.708 121.213 120.500 0.008 0.000 2.081 530 R HA -0.061 4.274 4.340 -0.009 0.000 0.235 530 R C 2.567 178.925 176.300 0.097 0.000 1.131 530 R CA 1.384 57.525 56.100 0.069 0.000 0.960 530 R CB -0.204 30.176 30.300 0.134 0.000 0.856 530 R HN 0.513 nan 8.270 nan 0.000 0.436 531 E N 0.557 120.833 120.200 0.125 0.000 2.077 531 E HA -0.194 4.151 4.350 -0.009 0.000 0.193 531 E C 1.938 178.622 176.600 0.140 0.000 0.989 531 E CA 1.121 57.627 56.400 0.176 0.000 0.800 531 E CB -0.030 29.838 29.700 0.280 0.000 0.746 531 E HN 0.389 nan 8.360 nan 0.000 0.452 532 A N 0.901 123.840 122.820 0.198 0.000 1.978 532 A HA -0.164 4.151 4.320 -0.009 0.000 0.220 532 A C 2.141 179.668 177.584 -0.094 0.000 1.170 532 A CA 1.038 53.157 52.037 0.137 0.000 0.636 532 A CB -0.588 18.536 19.000 0.206 0.000 0.810 532 A HN 0.300 nan 8.150 nan 0.000 0.448 533 L N 0.008 121.103 121.223 -0.212 0.000 2.201 533 L HA -0.136 4.199 4.340 -0.009 0.000 0.212 533 L C 2.831 179.526 176.870 -0.291 0.000 1.105 533 L CA 1.593 56.129 54.840 -0.508 0.000 0.775 533 L CB -0.699 40.639 42.059 -1.201 0.000 0.913 533 L HN 0.664 nan 8.230 nan 0.000 0.440 534 T N -3.909 110.660 114.554 0.025 0.000 3.007 534 T HA -0.090 4.255 4.350 -0.009 0.000 0.270 534 T C 1.706 176.444 174.700 0.063 0.000 1.107 534 T CA 0.459 62.706 62.100 0.245 0.000 1.118 534 T CB -0.102 68.897 68.868 0.219 0.000 0.889 534 T HN 0.088 nan 8.240 nan 0.000 0.506 535 K N 0.854 121.217 120.400 -0.061 0.000 2.432 535 K HA 0.301 4.616 4.320 -0.009 0.000 0.196 535 K C 0.826 177.365 176.600 -0.101 0.000 1.038 535 K CA 0.007 56.223 56.287 -0.118 0.000 0.986 535 K CB -0.433 31.943 32.500 -0.207 0.000 0.782 535 K HN 0.476 nan 8.250 nan 0.000 0.485 536 L N 1.689 122.863 121.223 -0.081 0.000 2.439 536 L HA 0.012 4.347 4.340 -0.009 0.000 0.269 536 L C 1.230 178.089 176.870 -0.018 0.000 1.179 536 L CA -0.266 54.516 54.840 -0.096 0.000 0.828 536 L CB 0.497 42.516 42.059 -0.067 0.000 1.106 536 L HN -0.043 nan 8.230 nan 0.000 0.467 537 D N 1.294 121.653 120.400 -0.069 0.000 2.137 537 D HA -0.023 4.611 4.640 -0.009 0.000 0.202 537 D C -0.113 176.332 176.300 0.242 0.000 0.970 537 D CA 1.143 55.185 54.000 0.070 0.000 0.837 537 D CB 0.281 41.141 40.800 0.100 0.000 0.981 537 D HN 0.504 nan 8.370 nan 0.000 0.475 538 W N -0.305 121.089 121.300 0.156 0.000 3.167 538 W HA 0.591 5.245 4.660 -0.009 0.000 0.324 538 W C -1.320 175.342 176.519 0.238 0.000 1.230 538 W CA -1.194 56.291 57.345 0.234 0.000 1.184 538 W CB 0.711 30.371 29.460 0.332 0.000 1.414 538 W HN -0.313 nan 8.180 nan 0.000 0.551 539 M N 2.892 122.899 119.600 0.679 0.000 2.393 539 M HA 0.560 5.035 4.480 -0.009 0.000 0.299 539 M C -2.112 174.563 176.300 0.625 0.000 1.103 539 M CA -0.605 55.028 55.300 0.554 0.000 0.910 539 M CB 2.386 35.285 32.600 0.499 0.000 1.659 539 M HN 0.252 nan 8.290 nan 0.000 0.445 540 V N 4.677 124.831 119.914 0.400 0.000 2.370 540 V HA 0.409 4.524 4.120 -0.009 0.000 0.283 540 V C -0.477 175.742 176.094 0.208 0.000 1.023 540 V CA -0.615 61.867 62.300 0.304 0.000 0.857 540 V CB 1.440 33.340 31.823 0.129 0.000 0.985 540 V HN 0.900 nan 8.190 nan 0.000 0.443 541 N N 4.042 122.867 118.700 0.208 0.000 2.407 541 N HA 0.530 5.265 4.740 -0.009 0.000 0.277 541 N C -1.478 173.932 175.510 -0.167 0.000 0.995 541 N CA -0.401 52.733 53.050 0.140 0.000 0.903 541 N CB 2.007 40.742 38.487 0.413 0.000 1.218 541 N HN 0.412 nan 8.380 nan 0.000 0.487 542 V N 3.893 123.566 119.914 -0.401 0.000 2.357 542 V HA 0.505 4.620 4.120 -0.009 0.000 0.284 542 V C -0.118 175.755 176.094 -0.368 0.000 1.018 542 V CA -0.714 61.181 62.300 -0.676 0.000 0.841 542 V CB 0.970 31.951 31.823 -1.403 0.000 0.991 542 V HN 0.730 nan 8.190 nan 0.000 0.437 543 N N 2.619 121.127 118.700 -0.321 0.000 3.116 543 N HA 0.477 5.212 4.740 -0.009 0.000 0.244 543 N C 0.498 175.980 175.510 -0.047 0.000 1.485 543 N CA -0.682 52.346 53.050 -0.037 0.000 0.884 543 N CB 2.074 40.694 38.487 0.220 0.000 1.415 543 N HN 0.342 nan 8.380 nan 0.000 0.524 544 I N 0.070 120.598 120.570 -0.068 0.000 2.406 544 I HA 0.054 4.219 4.170 -0.009 0.000 0.249 544 I C -0.018 175.842 176.117 -0.429 0.000 1.122 544 I CA 1.109 62.197 61.300 -0.353 0.000 1.431 544 I CB 0.030 37.660 38.000 -0.617 0.000 1.087 544 I HN 0.228 nan 8.210 nan 0.000 0.424 545 F N -0.287 119.759 119.950 0.159 0.000 2.577 545 F HA 0.339 4.861 4.527 -0.009 0.000 0.318 545 F C 0.203 175.972 175.800 -0.052 0.000 1.065 545 F CA -1.493 56.531 58.000 0.040 0.000 0.929 545 F CB 0.585 39.555 39.000 -0.050 0.000 1.237 545 F HN -0.260 nan 8.300 nan 0.000 0.468 546 D N 1.240 121.544 120.400 -0.159 0.000 2.419 546 D HA 0.238 4.872 4.640 -0.009 0.000 0.236 546 D C -0.671 175.558 176.300 -0.118 0.000 1.165 546 D CA 0.689 54.438 54.000 -0.419 0.000 0.882 546 D CB 0.374 40.963 40.800 -0.352 0.000 1.201 546 D HN 0.737 nan 8.370 nan 0.000 0.443 547 N N -0.545 118.101 118.700 -0.091 0.000 3.116 547 N HA 0.181 4.916 4.740 -0.009 0.000 0.244 547 N C -0.138 175.273 175.510 -0.165 0.000 1.485 547 N CA -0.664 52.325 53.050 -0.103 0.000 0.884 547 N CB 0.485 39.007 38.487 0.058 0.000 1.415 547 N HN 0.039 nan 8.380 nan 0.000 0.524 548 E N -0.743 119.294 120.200 -0.271 0.000 2.204 548 E HA -0.086 4.259 4.350 -0.009 0.000 0.195 548 E C 0.840 177.579 176.600 0.232 0.000 0.990 548 E CA 1.989 58.255 56.400 -0.224 0.000 0.821 548 E CB -0.231 29.326 29.700 -0.238 0.000 0.750 548 E HN 0.647 nan 8.360 nan 0.000 0.477 549 T N -0.752 113.944 114.554 0.236 0.000 2.781 549 T HA -0.023 4.322 4.350 -0.009 0.000 0.252 549 T C 1.960 176.965 174.700 0.509 0.000 1.039 549 T CA 1.090 63.407 62.100 0.362 0.000 1.147 549 T CB -0.702 68.361 68.868 0.325 0.000 0.865 549 T HN 0.367 nan 8.240 nan 0.000 0.423 550 G N 0.842 109.926 108.800 0.473 0.000 2.450 550 G HA2 -0.152 3.803 3.960 -0.009 0.000 0.220 550 G HA3 -0.152 3.803 3.960 -0.009 0.000 0.220 550 G C 1.394 176.673 174.900 0.633 0.000 1.130 550 G CA 0.864 46.353 45.100 0.649 0.000 0.760 550 G HN 0.492 nan 8.290 nan 0.000 0.557 551 S N 0.478 116.327 115.700 0.248 0.000 2.561 551 S HA 0.209 4.674 4.470 -0.009 0.000 0.245 551 S C 1.293 175.610 174.600 -0.472 0.000 1.001 551 S CA -0.447 57.481 58.200 -0.453 0.000 1.002 551 S CB -0.236 62.813 63.200 -0.252 0.000 0.805 551 S HN 0.524 nan 8.310 nan 0.000 0.458 552 F N 1.589 121.491 119.950 -0.080 0.000 2.192 552 F HA -0.131 4.391 4.527 -0.009 0.000 0.301 552 F C 1.894 177.628 175.800 -0.110 0.000 1.079 552 F CA 0.836 58.881 58.000 0.076 0.000 1.303 552 F CB -0.924 38.193 39.000 0.194 0.000 1.024 552 F HN 0.514 nan 8.300 nan 0.000 0.494 553 W N 2.892 123.535 121.300 -1.094 0.000 2.538 553 W HA -0.000 4.655 4.660 -0.009 0.000 0.254 553 W C 1.035 177.277 176.519 -0.462 0.000 1.249 553 W CA 0.848 57.636 57.345 -0.929 0.000 1.253 553 W CB -1.285 27.579 29.460 -0.992 0.000 1.130 553 W HN 0.327 nan 8.180 nan 0.000 0.618 554 R N 0.572 120.594 120.500 -0.797 0.000 2.629 554 R HA 0.441 4.776 4.340 -0.009 0.000 0.386 554 R C 0.668 176.549 176.300 -0.698 0.000 1.071 554 R CA 0.198 55.943 56.100 -0.591 0.000 1.104 554 R CB -0.343 29.526 30.300 -0.718 0.000 1.370 554 R HN -0.086 nan 8.270 nan 0.000 0.574 555 G N 1.767 110.079 108.800 -0.813 0.000 2.535 555 G HA2 0.364 4.319 3.960 -0.009 0.000 0.282 555 G HA3 0.364 4.319 3.960 -0.009 0.000 0.282 555 G C -2.397 171.963 174.900 -0.900 0.000 1.350 555 G CA -1.534 42.692 45.100 -1.456 0.000 1.039 555 G HN 0.016 nan 8.290 nan 0.000 0.509 556 P HA 0.134 nan 4.420 nan 0.000 0.264 556 P C -0.522 176.618 177.300 -0.267 0.000 1.193 556 P CA 0.312 63.143 63.100 -0.448 0.000 0.763 556 P CB 0.433 31.931 31.700 -0.337 0.000 0.810 557 D N -0.244 120.043 120.400 -0.188 0.000 3.077 557 D HA -0.146 4.489 4.640 -0.009 0.000 0.217 557 D C -0.132 176.105 176.300 -0.105 0.000 1.162 557 D CA 1.066 54.997 54.000 -0.115 0.000 0.943 557 D CB -0.835 39.919 40.800 -0.077 0.000 1.122 557 D HN 0.313 nan 8.370 nan 0.000 0.413 558 M N 0.810 120.321 119.600 -0.149 0.000 2.264 558 M HA 0.246 4.721 4.480 -0.009 0.000 0.352 558 M C 0.219 176.463 176.300 -0.094 0.000 1.173 558 M CA -0.392 54.842 55.300 -0.109 0.000 1.075 558 M CB 1.269 33.784 32.600 -0.142 0.000 1.621 558 M HN -0.193 nan 8.290 nan 0.000 0.457 559 D N 5.054 125.421 120.400 -0.056 0.000 2.412 559 D HA 0.346 4.981 4.640 -0.009 0.000 0.224 559 D C -1.939 174.338 176.300 -0.038 0.000 1.093 559 D CA -1.915 52.057 54.000 -0.047 0.000 0.850 559 D CB 1.701 42.480 40.800 -0.035 0.000 1.046 559 D HN 0.186 nan 8.370 nan 0.000 0.507 560 P HA -0.096 nan 4.420 nan 0.000 0.218 560 P C 0.901 178.166 177.300 -0.059 0.000 1.149 560 P CA 1.076 64.163 63.100 -0.022 0.000 0.817 560 P CB 0.397 32.113 31.700 0.026 0.000 0.785 561 K N -0.080 120.289 120.400 -0.051 0.000 2.209 561 K HA -0.101 4.214 4.320 -0.009 0.000 0.204 561 K C 1.657 178.230 176.600 -0.045 0.000 1.048 561 K CA 1.165 57.420 56.287 -0.053 0.000 0.940 561 K CB -0.222 32.253 32.500 -0.041 0.000 0.729 561 K HN 0.161 nan 8.250 nan 0.000 0.451 562 K N 0.282 120.661 120.400 -0.035 0.000 2.404 562 K HA 0.170 4.485 4.320 -0.009 0.000 0.194 562 K C -0.230 176.360 176.600 -0.016 0.000 1.023 562 K CA 0.126 56.399 56.287 -0.024 0.000 1.094 562 K CB 0.421 32.911 32.500 -0.017 0.000 0.841 562 K HN 0.088 nan 8.250 nan 0.000 0.523 563 I N 2.422 122.976 120.570 -0.027 0.000 2.328 563 I HA 0.062 4.226 4.170 -0.009 0.000 0.287 563 I C 1.234 177.327 176.117 -0.040 0.000 1.012 563 I CA -0.401 60.894 61.300 -0.008 0.000 1.195 563 I CB 1.412 39.407 38.000 -0.007 0.000 1.350 563 I HN 0.053 nan 8.210 nan 0.000 0.464 564 K N 2.948 123.347 120.400 -0.002 0.000 2.366 564 K HA 0.041 4.356 4.320 -0.009 0.000 0.198 564 K C 0.331 176.930 176.600 -0.002 0.000 1.044 564 K CA 0.517 56.799 56.287 -0.009 0.000 0.973 564 K CB -0.266 32.242 32.500 0.014 0.000 0.767 564 K HN 0.465 nan 8.250 nan 0.000 0.475 565 T N 2.710 117.292 114.554 0.048 0.000 2.831 565 T HA -0.034 4.311 4.350 -0.009 0.000 0.291 565 T C -0.332 174.355 174.700 -0.022 0.000 0.981 565 T CA 0.143 62.311 62.100 0.113 0.000 1.174 565 T CB 0.855 69.936 68.868 0.355 0.000 0.929 565 T HN 0.246 nan 8.240 nan 0.000 0.532 566 E N 2.573 122.810 120.200 0.062 0.000 2.259 566 E HA 0.353 4.698 4.350 -0.009 0.000 0.281 566 E C -0.935 175.648 176.600 -0.028 0.000 1.037 566 E CA -0.511 55.837 56.400 -0.087 0.000 0.854 566 E CB 0.570 30.350 29.700 0.134 0.000 1.051 566 E HN 0.348 nan 8.360 nan 0.000 0.409 567 V N 5.562 125.305 119.914 -0.285 0.000 2.540 567 V HA 0.362 4.477 4.120 -0.009 0.000 0.302 567 V C -0.826 175.280 176.094 0.019 0.000 1.035 567 V CA -0.735 61.618 62.300 0.089 0.000 0.873 567 V CB 1.106 33.125 31.823 0.326 0.000 0.992 567 V HN 0.540 nan 8.190 nan 0.000 0.428 568 F N 4.822 125.032 119.950 0.432 0.000 2.375 568 F HA 0.530 5.052 4.527 -0.009 0.000 0.361 568 F C -0.360 175.624 175.800 0.307 0.000 1.117 568 F CA -0.490 57.744 58.000 0.391 0.000 1.037 568 F CB 1.289 40.451 39.000 0.270 0.000 1.192 568 F HN 0.465 nan 8.300 nan 0.000 0.452 569 F N 5.427 125.497 119.950 0.200 0.000 2.404 569 F HA 0.655 5.177 4.527 -0.008 0.000 0.354 569 F C -1.244 174.489 175.800 -0.111 0.000 1.122 569 F CA -0.943 57.044 58.000 -0.022 0.000 1.080 569 F CB 0.676 39.459 39.000 -0.362 0.000 1.131 569 F HN 0.241 nan 8.300 nan 0.000 0.471 570 L N 8.986 129.673 121.223 -0.892 0.000 2.318 570 L HA 0.418 4.753 4.340 -0.009 0.000 0.277 570 L C -2.370 174.011 176.870 -0.815 0.000 1.008 570 L CA -2.143 52.333 54.840 -0.607 0.000 0.846 570 L CB 1.419 43.360 42.059 -0.195 0.000 1.220 570 L HN 0.453 nan 8.230 nan 0.000 0.423 571 P HA 0.089 nan 4.420 nan 0.000 0.271 571 P C -0.470 176.769 177.300 -0.103 0.000 1.220 571 P CA -0.338 62.575 63.100 -0.311 0.000 0.768 571 P CB 0.938 32.618 31.700 -0.034 0.000 0.848 572 C N 1.523 120.720 119.300 -0.172 0.000 2.505 572 C HA 0.898 5.353 4.460 -0.009 0.000 0.358 572 C C 0.660 175.561 174.990 -0.147 0.000 1.226 572 C CA -1.057 57.874 59.018 -0.145 0.000 1.900 572 C CB 0.965 28.609 27.740 -0.161 0.000 2.306 572 C HN 0.656 nan 8.230 nan 0.000 0.512 573 A N 0.769 123.501 122.820 -0.146 0.000 2.366 573 A HA 0.605 4.920 4.320 -0.009 0.000 0.249 573 A C 0.428 177.919 177.584 -0.156 0.000 1.084 573 A CA 0.257 52.205 52.037 -0.148 0.000 0.794 573 A CB -0.133 18.780 19.000 -0.146 0.000 1.034 573 A HN 2.159 nan 8.150 nan 0.000 0.491 574 V N -1.797 118.023 119.914 -0.157 0.000 3.096 574 V HA 0.691 4.805 4.120 -0.009 0.000 0.319 574 V C 1.350 177.362 176.094 -0.136 0.000 1.082 574 V CA -0.058 62.148 62.300 -0.157 0.000 1.022 574 V CB 0.571 32.292 31.823 -0.170 0.000 1.103 574 V HN 1.463 nan 8.190 nan 0.000 0.455 575 A N 2.012 124.747 122.820 -0.141 0.000 1.917 575 A HA -0.156 4.159 4.320 -0.009 0.000 0.219 575 A C 1.781 179.305 177.584 -0.100 0.000 1.182 575 A CA 2.393 54.352 52.037 -0.129 0.000 0.633 575 A CB -1.075 17.838 19.000 -0.145 0.000 0.819 575 A HN 1.427 nan 8.150 nan 0.000 0.448 576 I N -3.386 117.135 120.570 -0.081 0.000 3.334 576 I HA 0.001 4.166 4.170 -0.009 0.000 0.282 576 I C 0.977 177.072 176.117 -0.037 0.000 1.313 576 I CA 1.323 62.599 61.300 -0.040 0.000 1.396 576 I CB -0.264 37.729 38.000 -0.012 0.000 1.054 576 I HN 0.261 nan 8.210 nan 0.000 0.495 577 E N 1.383 121.543 120.200 -0.067 0.000 2.501 577 E HA 0.248 4.593 4.350 -0.009 0.000 0.200 577 E C -0.339 176.218 176.600 -0.070 0.000 1.016 577 E CA -0.046 56.315 56.400 -0.065 0.000 0.921 577 E CB 0.469 30.115 29.700 -0.090 0.000 1.034 577 E HN 0.534 nan 8.360 nan 0.000 0.468 578 K N 0.962 121.314 120.400 -0.080 0.000 2.435 578 K HA 0.346 4.661 4.320 -0.009 0.000 0.251 578 K C -0.834 175.695 176.600 -0.119 0.000 0.954 578 K CA -0.670 55.554 56.287 -0.104 0.000 0.820 578 K CB 2.616 35.027 32.500 -0.147 0.000 1.292 578 K HN -0.112 nan 8.250 nan 0.000 0.436 579 E N 0.991 121.118 120.200 -0.123 0.000 2.176 579 E HA 0.599 4.944 4.350 -0.009 0.000 0.267 579 E C -0.763 175.571 176.600 -0.443 0.000 0.893 579 E CA -0.620 55.636 56.400 -0.241 0.000 0.761 579 E CB 1.365 31.055 29.700 -0.016 0.000 1.133 579 E HN 0.781 nan 8.360 nan 0.000 0.409 580 G N 1.855 110.084 108.800 -0.951 0.000 2.325 580 G HA2 0.297 4.251 3.960 -0.009 0.000 0.295 580 G HA3 0.297 4.251 3.960 -0.009 0.000 0.295 580 G C -1.244 172.861 174.900 -1.325 0.000 1.274 580 G CA -0.206 44.195 45.100 -1.165 0.000 0.857 580 G HN 0.623 nan 8.290 nan 0.000 0.499 581 S N -1.193 114.045 115.700 -0.769 0.000 2.566 581 S HA 0.852 5.317 4.470 -0.009 0.000 0.298 581 S C -0.420 174.129 174.600 -0.085 0.000 1.083 581 S CA -0.443 57.569 58.200 -0.313 0.000 0.978 581 S CB 1.632 64.852 63.200 0.034 0.000 1.073 581 S HN 1.664 nan 8.310 nan 0.000 0.491 582 I N -1.234 119.370 120.570 0.057 0.000 2.686 582 I HA 0.706 4.871 4.170 -0.009 0.000 0.295 582 I C -0.907 175.377 176.117 0.278 0.000 1.114 582 I CA -0.897 60.492 61.300 0.149 0.000 1.038 582 I CB 2.411 40.479 38.000 0.113 0.000 1.238 582 I HN 0.494 nan 8.210 nan 0.000 0.420 583 S N 4.375 120.282 115.700 0.345 0.000 2.429 583 S HA 0.348 4.812 4.470 -0.009 0.000 0.302 583 S C -0.099 174.729 174.600 0.381 0.000 1.115 583 S CA -0.770 57.691 58.200 0.436 0.000 1.095 583 S CB 0.660 64.206 63.200 0.577 0.000 0.987 583 S HN 0.847 nan 8.310 nan 0.000 0.474 584 N N 1.343 120.264 118.700 0.368 0.000 2.322 584 N HA 0.142 4.877 4.740 -0.009 0.000 0.270 584 N C 1.198 176.886 175.510 0.296 0.000 1.286 584 N CA -0.332 52.924 53.050 0.343 0.000 0.948 584 N CB 0.024 38.710 38.487 0.332 0.000 1.164 584 N HN 0.332 nan 8.380 nan 0.000 0.551 585 S N -1.639 114.276 115.700 0.359 0.000 2.400 585 S HA -0.032 4.433 4.470 -0.009 0.000 0.232 585 S C 1.506 176.038 174.600 -0.113 0.000 1.025 585 S CA 1.324 59.614 58.200 0.150 0.000 0.993 585 S CB -1.097 62.210 63.200 0.178 0.000 0.808 585 S HN 0.794 nan 8.310 nan 0.000 0.478 586 G N -0.061 108.643 108.800 -0.160 0.000 3.124 586 G HA2 0.160 4.115 3.960 -0.009 0.000 0.212 586 G HA3 0.160 4.115 3.960 -0.009 0.000 0.212 586 G C 0.453 175.316 174.900 -0.063 0.000 1.181 586 G CA -0.211 44.755 45.100 -0.223 0.000 0.803 586 G HN 0.561 nan 8.290 nan 0.000 0.529 587 R N -2.581 117.886 120.500 -0.054 0.000 3.951 587 R HA -0.136 4.199 4.340 -0.009 0.000 0.352 587 R C -0.588 175.807 176.300 0.159 0.000 1.178 587 R CA 0.607 56.609 56.100 -0.163 0.000 0.949 587 R CB -1.876 27.871 30.300 -0.921 0.000 1.452 587 R HN 0.383 nan 8.270 nan 0.000 0.540 588 W N 1.700 123.015 121.300 0.025 0.000 2.419 588 W HA 0.266 4.921 4.660 -0.008 0.000 0.312 588 W C 0.941 177.638 176.519 0.296 0.000 1.323 588 W CA -0.972 56.456 57.345 0.138 0.000 1.293 588 W CB 0.117 29.694 29.460 0.194 0.000 1.324 588 W HN 0.103 nan 8.180 nan 0.000 0.512 589 M N 4.953 124.904 119.600 0.584 0.000 2.108 589 M HA 0.196 4.671 4.480 -0.009 0.000 0.347 589 M C -0.441 176.154 176.300 0.492 0.000 1.326 589 M CA 0.337 55.995 55.300 0.597 0.000 1.126 589 M CB 0.241 33.312 32.600 0.785 0.000 1.606 589 M HN 0.454 nan 8.290 nan 0.000 0.462 590 Q N 5.049 125.100 119.800 0.418 0.000 2.331 590 Q HA 0.292 4.627 4.340 -0.009 0.000 0.267 590 Q C -1.350 174.813 176.000 0.272 0.000 1.006 590 Q CA -0.579 55.446 55.803 0.371 0.000 0.818 590 Q CB 2.325 31.321 28.738 0.429 0.000 1.276 590 Q HN 0.723 nan 8.270 nan 0.000 0.450 591 W N 4.159 125.479 121.300 0.032 0.000 2.272 591 W HA 0.263 4.919 4.660 -0.007 0.000 0.318 591 W C -0.557 175.837 176.519 -0.208 0.000 1.255 591 W CA 0.029 57.297 57.345 -0.129 0.000 1.200 591 W CB 0.888 30.227 29.460 -0.202 0.000 1.170 591 W HN 0.591 nan 8.180 nan 0.000 0.549 592 R N 4.057 124.182 120.500 -0.624 0.000 2.803 592 R HA 0.505 4.839 4.340 -0.009 0.000 0.276 592 R C -1.541 174.377 176.300 -0.635 0.000 0.978 592 R CA -0.835 55.030 56.100 -0.390 0.000 0.939 592 R CB 2.227 32.377 30.300 -0.250 0.000 1.179 592 R HN 0.350 nan 8.270 nan 0.000 0.472 593 Y N -0.685 119.619 120.300 0.006 0.000 2.570 593 Y HA 0.317 4.862 4.550 -0.009 0.000 0.345 593 Y C 0.149 176.059 175.900 0.017 0.000 1.014 593 Y CA -1.154 56.979 58.100 0.056 0.000 1.063 593 Y CB 1.562 40.094 38.460 0.120 0.000 1.272 593 Y HN 0.144 nan 8.280 nan 0.000 0.477 594 V N 2.461 122.492 119.914 0.195 0.000 2.521 594 V HA 0.194 4.309 4.120 -0.009 0.000 0.286 594 V C 0.613 176.767 176.094 0.099 0.000 1.034 594 V CA 1.002 63.361 62.300 0.099 0.000 1.045 594 V CB 0.434 32.303 31.823 0.076 0.000 0.974 594 V HN 1.085 nan 8.190 nan 0.000 0.480 595 G N 7.037 115.873 108.800 0.060 0.000 2.593 595 G HA2 0.255 4.209 3.960 -0.009 0.000 0.212 595 G HA3 0.255 4.209 3.960 -0.009 0.000 0.212 595 G C -2.104 172.816 174.900 0.033 0.000 1.934 595 G CA -0.083 45.047 45.100 0.050 0.000 0.861 595 G HN 0.629 nan 8.290 nan 0.000 0.629 596 P HA 0.169 nan 4.420 nan 0.000 0.274 596 P C -0.306 176.986 177.300 -0.014 0.000 1.237 596 P CA -0.142 62.961 63.100 0.004 0.000 0.793 596 P CB 0.901 32.590 31.700 -0.019 0.000 0.977 597 E N 2.491 122.680 120.200 -0.018 0.000 2.392 597 E HA 0.211 4.556 4.350 -0.009 0.000 0.259 597 E C -2.275 174.292 176.600 -0.055 0.000 1.108 597 E CA -2.098 54.282 56.400 -0.033 0.000 0.916 597 E CB -0.888 28.794 29.700 -0.030 0.000 0.989 597 E HN 0.262 nan 8.360 nan 0.000 0.432 598 P HA -0.068 nan 4.420 nan 0.000 0.261 598 P C -0.631 176.626 177.300 -0.071 0.000 1.183 598 P CA 0.322 63.371 63.100 -0.086 0.000 0.761 598 P CB 0.349 31.985 31.700 -0.107 0.000 0.785 599 R N 3.800 124.253 120.500 -0.078 0.000 2.502 599 R HA -0.001 4.334 4.340 -0.009 0.000 0.292 599 R C 0.202 176.481 176.300 -0.035 0.000 0.998 599 R CA -0.143 55.917 56.100 -0.066 0.000 1.056 599 R CB 0.238 30.482 30.300 -0.094 0.000 0.939 599 R HN 0.286 nan 8.270 nan 0.000 0.411 600 K N 3.454 123.843 120.400 -0.018 0.000 2.491 600 K HA -0.065 4.250 4.320 -0.009 0.000 0.279 600 K C -0.139 176.482 176.600 0.036 0.000 1.026 600 K CA 0.399 56.695 56.287 0.015 0.000 1.070 600 K CB 0.265 32.772 32.500 0.013 0.000 0.887 600 K HN 0.583 nan 8.250 nan 0.000 0.481 601 N N 1.317 120.075 118.700 0.098 0.000 2.535 601 N HA 0.082 4.817 4.740 -0.009 0.000 0.294 601 N C -0.317 175.370 175.510 0.294 0.000 1.408 601 N CA -0.168 52.996 53.050 0.189 0.000 0.927 601 N CB 0.818 39.477 38.487 0.287 0.000 1.276 601 N HN 0.511 nan 8.380 nan 0.000 0.505 602 A N 0.696 123.597 122.820 0.136 0.000 2.425 602 A HA 0.475 4.789 4.320 -0.009 0.000 0.242 602 A C 0.319 177.870 177.584 -0.055 0.000 1.077 602 A CA 0.173 52.275 52.037 0.108 0.000 0.781 602 A CB 0.428 19.419 19.000 -0.015 0.000 1.020 602 A HN 0.318 nan 8.150 nan 0.000 0.494 603 I N 2.081 122.554 120.570 -0.161 0.000 2.545 603 I HA 0.333 4.498 4.170 -0.009 0.000 0.292 603 I C -2.321 173.645 176.117 -0.251 0.000 1.040 603 I CA -2.345 58.750 61.300 -0.342 0.000 1.068 603 I CB 2.408 39.981 38.000 -0.711 0.000 1.251 603 I HN 0.426 nan 8.210 nan 0.000 0.424 604 P HA 0.057 nan 4.420 nan 0.000 0.269 604 P C -0.029 177.117 177.300 -0.257 0.000 1.215 604 P CA -0.040 62.914 63.100 -0.243 0.000 0.780 604 P CB 0.782 32.315 31.700 -0.278 0.000 0.898 605 D N 2.308 122.585 120.400 -0.204 0.000 2.133 605 D HA -0.155 4.480 4.640 -0.009 0.000 0.195 605 D C 2.138 178.257 176.300 -0.302 0.000 0.997 605 D CA 2.013 55.958 54.000 -0.092 0.000 0.840 605 D CB -0.663 40.130 40.800 -0.011 0.000 0.947 605 D HN 0.573 nan 8.370 nan 0.000 0.452 606 G N 1.158 109.531 108.800 -0.711 0.000 2.440 606 G HA2 -0.259 3.695 3.960 -0.009 0.000 0.218 606 G HA3 -0.259 3.695 3.960 -0.009 0.000 0.218 606 G C 1.404 175.959 174.900 -0.575 0.000 1.154 606 G CA 0.792 45.150 45.100 -1.237 0.000 0.767 606 G HN 0.188 nan 8.290 nan 0.000 0.552 607 D N 0.209 120.353 120.400 -0.425 0.000 2.183 607 D HA 0.001 4.636 4.640 -0.009 0.000 0.203 607 D C 2.696 178.922 176.300 -0.123 0.000 0.969 607 D CA 0.269 54.186 54.000 -0.138 0.000 0.842 607 D CB 0.024 40.741 40.800 -0.138 0.000 0.957 607 D HN 0.277 nan 8.370 nan 0.000 0.484 608 L N 0.670 121.809 121.223 -0.139 0.000 2.042 608 L HA -0.169 4.166 4.340 -0.009 0.000 0.210 608 L C 2.550 179.425 176.870 0.008 0.000 1.076 608 L CA 0.843 55.666 54.840 -0.028 0.000 0.749 608 L CB -0.314 41.811 42.059 0.111 0.000 0.893 608 L HN 0.011 nan 8.230 nan 0.000 0.432 609 I N -1.126 119.409 120.570 -0.059 0.000 2.179 609 I HA -0.260 3.905 4.170 -0.009 0.000 0.242 609 I C 2.479 178.469 176.117 -0.213 0.000 1.088 609 I CA 0.963 62.120 61.300 -0.238 0.000 1.357 609 I CB -0.296 37.536 38.000 -0.279 0.000 1.051 609 I HN -0.011 nan 8.210 nan 0.000 0.409 610 V N 0.704 120.619 119.914 0.001 0.000 2.287 610 V HA -0.272 3.843 4.120 -0.009 0.000 0.248 610 V C 2.558 178.618 176.094 -0.056 0.000 1.053 610 V CA 1.845 64.202 62.300 0.095 0.000 1.027 610 V CB -0.598 31.356 31.823 0.217 0.000 0.646 610 V HN 0.410 nan 8.190 nan 0.000 0.447 611 E N -0.085 120.075 120.200 -0.067 0.000 2.077 611 E HA -0.164 4.181 4.350 -0.009 0.000 0.193 611 E C 2.220 178.747 176.600 -0.121 0.000 0.989 611 E CA 1.192 57.547 56.400 -0.074 0.000 0.800 611 E CB -0.358 29.309 29.700 -0.056 0.000 0.746 611 E HN 0.521 nan 8.360 nan 0.000 0.452 612 L N 0.397 121.501 121.223 -0.198 0.000 2.056 612 L HA -0.134 4.201 4.340 -0.009 0.000 0.207 612 L C 2.544 179.197 176.870 -0.361 0.000 1.078 612 L CA 1.067 55.759 54.840 -0.246 0.000 0.749 612 L CB -0.509 41.362 42.059 -0.313 0.000 0.901 612 L HN 0.059 nan 8.230 nan 0.000 0.433 613 A N 0.220 122.637 122.820 -0.671 0.000 1.877 613 A HA -0.212 4.103 4.320 -0.009 0.000 0.216 613 A C 2.330 179.819 177.584 -0.158 0.000 1.186 613 A CA 1.644 53.345 52.037 -0.561 0.000 0.620 613 A CB -0.323 18.333 19.000 -0.573 0.000 0.822 613 A HN 0.291 nan 8.150 nan 0.000 0.443 614 K N -0.621 119.680 120.400 -0.165 0.000 2.057 614 K HA -0.119 4.195 4.320 -0.009 0.000 0.207 614 K C 2.317 178.881 176.600 -0.061 0.000 1.049 614 K CA 1.552 57.772 56.287 -0.112 0.000 0.931 614 K CB -0.181 32.255 32.500 -0.106 0.000 0.714 614 K HN 0.384 nan 8.250 nan 0.000 0.440 615 R N 0.370 120.840 120.500 -0.049 0.000 2.081 615 R HA -0.086 4.249 4.340 -0.009 0.000 0.235 615 R C 2.280 178.587 176.300 0.011 0.000 1.131 615 R CA 1.102 57.188 56.100 -0.024 0.000 0.960 615 R CB -0.387 29.898 30.300 -0.026 0.000 0.856 615 R HN -0.011 nan 8.270 nan 0.000 0.436 616 V N 1.151 121.108 119.914 0.071 0.000 2.427 616 V HA -0.240 3.875 4.120 -0.009 0.000 0.248 616 V C 2.241 178.382 176.094 0.080 0.000 1.051 616 V CA 1.659 64.035 62.300 0.127 0.000 1.048 616 V CB -0.454 31.557 31.823 0.313 0.000 0.666 616 V HN 0.363 nan 8.190 nan 0.000 0.456 617 Q N -0.303 119.532 119.800 0.058 0.000 2.124 617 Q HA -0.230 4.105 4.340 -0.009 0.000 0.202 617 Q C 2.344 178.335 176.000 -0.016 0.000 0.977 617 Q CA 1.509 57.320 55.803 0.012 0.000 0.850 617 Q CB -0.128 28.593 28.738 -0.028 0.000 0.901 617 Q HN 0.616 nan 8.270 nan 0.000 0.429 618 K N 0.290 120.677 120.400 -0.022 0.000 2.103 618 K HA -0.075 4.240 4.320 -0.009 0.000 0.204 618 K C 2.100 178.685 176.600 -0.025 0.000 1.052 618 K CA 0.759 57.028 56.287 -0.030 0.000 0.945 618 K CB -0.033 32.447 32.500 -0.034 0.000 0.722 618 K HN 0.153 nan 8.250 nan 0.000 0.443 619 L N 0.871 122.085 121.223 -0.016 0.000 2.012 619 L HA -0.208 4.127 4.340 -0.009 0.000 0.210 619 L C 2.237 179.093 176.870 -0.023 0.000 1.073 619 L CA 0.887 55.715 54.840 -0.019 0.000 0.748 619 L CB -0.384 41.667 42.059 -0.013 0.000 0.891 619 L HN 0.214 nan 8.230 nan 0.000 0.431 620 L N -0.468 120.742 121.223 -0.021 0.000 2.275 620 L HA -0.119 4.216 4.340 -0.009 0.000 0.215 620 L C 2.711 179.553 176.870 -0.046 0.000 1.119 620 L CA 1.536 56.353 54.840 -0.039 0.000 0.790 620 L CB -1.323 40.709 42.059 -0.044 0.000 0.919 620 L HN 0.243 nan 8.230 nan 0.000 0.443 621 A N -0.191 122.605 122.820 -0.040 0.000 1.968 621 A HA -0.165 4.150 4.320 -0.009 0.000 0.217 621 A C 2.326 179.888 177.584 -0.037 0.000 1.169 621 A CA 1.131 53.144 52.037 -0.041 0.000 0.638 621 A CB -0.110 18.866 19.000 -0.040 0.000 0.812 621 A HN 0.325 nan 8.150 nan 0.000 0.446 622 K N -1.063 119.318 120.400 -0.033 0.000 2.211 622 K HA 0.052 4.366 4.320 -0.009 0.000 0.201 622 K C -0.326 176.257 176.600 -0.029 0.000 1.052 622 K CA 1.117 57.387 56.287 -0.029 0.000 0.973 622 K CB 0.288 32.773 32.500 -0.026 0.000 0.766 622 K HN 0.284 nan 8.250 nan 0.000 0.466 623 T N 2.528 117.063 114.554 -0.032 0.000 3.141 623 T HA 0.142 4.487 4.350 -0.009 0.000 0.377 623 T C -2.212 172.461 174.700 -0.045 0.000 1.258 623 T CA -1.191 60.889 62.100 -0.033 0.000 1.263 623 T CB 1.682 70.534 68.868 -0.027 0.000 1.066 623 T HN -0.005 nan 8.240 nan 0.000 0.546 624 P HA 0.047 nan 4.420 nan 0.000 0.221 624 P C 1.181 178.425 177.300 -0.092 0.000 1.150 624 P CA 0.895 63.950 63.100 -0.074 0.000 0.800 624 P CB 0.071 31.730 31.700 -0.069 0.000 0.787 625 G N 1.479 110.237 108.800 -0.070 0.000 2.575 625 G HA2 -0.343 3.612 3.960 -0.009 0.000 0.267 625 G HA3 -0.343 3.612 3.960 -0.009 0.000 0.267 625 G C 0.854 175.701 174.900 -0.087 0.000 1.264 625 G CA 0.679 45.735 45.100 -0.074 0.000 0.935 625 G HN 0.264 nan 8.290 nan 0.000 0.568 626 K N -0.774 119.564 120.400 -0.103 0.000 2.097 626 K HA 0.224 4.539 4.320 -0.009 0.000 0.205 626 K C 0.988 177.515 176.600 -0.121 0.000 1.050 626 K CA 1.475 57.715 56.287 -0.079 0.000 0.938 626 K CB 0.209 32.696 32.500 -0.021 0.000 0.718 626 K HN 0.439 nan 8.250 nan 0.000 0.442 627 L N -0.611 120.461 121.223 -0.251 0.000 2.487 627 L HA 0.281 4.616 4.340 -0.009 0.000 0.261 627 L C -0.033 176.639 176.870 -0.331 0.000 1.223 627 L CA -0.051 54.630 54.840 -0.266 0.000 0.883 627 L CB 1.219 43.125 42.059 -0.254 0.000 1.065 627 L HN 0.002 nan 8.230 nan 0.000 0.488 628 A N 2.137 124.815 122.820 -0.237 0.000 2.016 628 A HA 0.233 4.548 4.320 -0.009 0.000 0.217 628 A C 2.203 179.642 177.584 -0.242 0.000 1.162 628 A CA 1.233 53.142 52.037 -0.213 0.000 0.662 628 A CB -0.190 18.724 19.000 -0.142 0.000 0.812 628 A HN 0.819 nan 8.150 nan 0.000 0.450 629 A N 1.064 123.697 122.820 -0.311 0.000 1.884 629 A HA -0.140 4.175 4.320 -0.009 0.000 0.219 629 A C 0.230 177.420 177.584 -0.656 0.000 1.197 629 A CA 2.162 53.920 52.037 -0.465 0.000 0.637 629 A CB -1.811 16.856 19.000 -0.554 0.000 0.827 629 A HN 0.449 nan 8.150 nan 0.000 0.450 630 P HA -0.101 nan 4.420 nan 0.000 0.216 630 P C 1.593 178.952 177.300 0.097 0.000 1.150 630 P CA 1.481 64.285 63.100 -0.493 0.000 0.837 630 P CB -0.159 31.391 31.700 -0.250 0.000 0.786 631 V N -0.081 119.814 119.914 -0.033 0.000 2.255 631 V HA -0.207 3.908 4.120 -0.009 0.000 0.243 631 V C 2.558 178.676 176.094 0.040 0.000 1.038 631 V CA 2.704 65.028 62.300 0.041 0.000 1.008 631 V CB -2.165 29.650 31.823 -0.013 0.000 0.645 631 V HN 0.250 nan 8.190 nan 0.000 0.449 632 T N -1.642 112.896 114.554 -0.026 0.000 2.951 632 T HA -0.130 4.215 4.350 -0.009 0.000 0.268 632 T C 1.636 176.331 174.700 -0.008 0.000 1.073 632 T CA 1.078 63.159 62.100 -0.031 0.000 1.134 632 T CB -0.260 68.573 68.868 -0.058 0.000 0.884 632 T HN 0.440 nan 8.240 nan 0.000 0.479 633 K N 0.294 120.726 120.400 0.054 0.000 2.426 633 K HA 0.291 4.606 4.320 -0.009 0.000 0.193 633 K C 0.366 177.109 176.600 0.239 0.000 1.028 633 K CA -0.379 55.998 56.287 0.150 0.000 1.047 633 K CB -0.106 32.510 32.500 0.193 0.000 0.821 633 K HN 0.266 nan 8.250 nan 0.000 0.513 634 L N 2.268 123.596 121.223 0.175 0.000 2.559 634 L HA -0.053 4.282 4.340 -0.009 0.000 0.274 634 L C 0.204 176.909 176.870 -0.276 0.000 1.205 634 L CA 0.469 55.214 54.840 -0.158 0.000 0.907 634 L CB 0.342 42.318 42.059 -0.138 0.000 1.153 634 L HN -0.214 nan 8.230 nan 0.000 0.490 635 K N 2.688 122.875 120.400 -0.355 0.000 2.278 635 K HA 0.097 4.412 4.320 -0.009 0.000 0.237 635 K C 1.174 177.370 176.600 -0.672 0.000 1.229 635 K CA 0.721 56.712 56.287 -0.492 0.000 1.155 635 K CB -0.437 31.648 32.500 -0.692 0.000 1.590 635 K HN 0.822 nan 8.250 nan 0.000 0.290 636 T N -1.533 112.519 114.554 -0.836 0.000 3.035 636 T HA -0.072 4.273 4.350 -0.009 0.000 0.268 636 T C 1.062 175.331 174.700 -0.719 0.000 1.109 636 T CA 0.684 61.975 62.100 -1.348 0.000 1.119 636 T CB -0.053 68.154 68.868 -1.101 0.000 0.900 636 T HN 0.309 nan 8.240 nan 0.000 0.503 637 D N 0.660 120.796 120.400 -0.440 0.000 2.221 637 D HA -0.073 4.562 4.640 -0.009 0.000 0.204 637 D C 1.416 177.700 176.300 -0.026 0.000 0.982 637 D CA 0.822 54.692 54.000 -0.217 0.000 0.857 637 D CB -0.362 40.321 40.800 -0.196 0.000 0.934 637 D HN 0.400 nan 8.370 nan 0.000 0.475 638 Y N -0.670 119.571 120.300 -0.098 0.000 2.403 638 Y HA -0.147 4.398 4.550 -0.009 0.000 0.291 638 Y C 1.718 177.756 175.900 0.229 0.000 1.143 638 Y CA 0.088 58.238 58.100 0.083 0.000 1.257 638 Y CB -0.573 38.013 38.460 0.209 0.000 0.984 638 Y HN 0.189 nan 8.280 nan 0.000 0.550 639 W N -0.446 120.907 121.300 0.089 0.000 3.077 639 W HA 0.323 4.978 4.660 -0.009 0.000 0.266 639 W C 0.474 176.934 176.519 -0.099 0.000 1.300 639 W CA -0.295 57.034 57.345 -0.026 0.000 1.586 639 W CB -1.054 28.422 29.460 0.027 0.000 1.103 639 W HN -0.248 nan 8.180 nan 0.000 0.652 640 V N 0.242 120.240 119.914 0.141 0.000 2.960 640 V HA 0.615 4.730 4.120 -0.009 0.000 0.315 640 V C 0.050 176.151 176.094 0.013 0.000 1.087 640 V CA -1.359 60.982 62.300 0.068 0.000 0.982 640 V CB 1.309 33.162 31.823 0.051 0.000 1.039 640 V HN 0.034 nan 8.190 nan 0.000 0.437 641 N N 0.623 119.333 118.700 0.018 0.000 2.366 641 N HA 0.210 4.945 4.740 -0.009 0.000 0.277 641 N C 0.374 175.825 175.510 -0.099 0.000 1.275 641 N CA -0.185 52.851 53.050 -0.023 0.000 0.964 641 N CB -0.077 38.430 38.487 0.032 0.000 1.167 641 N HN 0.654 nan 8.380 nan 0.000 0.568 642 D N -1.753 118.525 120.400 -0.203 0.000 2.378 642 D HA -0.097 4.538 4.640 -0.009 0.000 0.222 642 D C 0.384 176.467 176.300 -0.361 0.000 0.980 642 D CA 1.145 54.967 54.000 -0.296 0.000 0.907 642 D CB -0.293 40.292 40.800 -0.359 0.000 0.899 642 D HN 0.620 nan 8.370 nan 0.000 0.527 643 H N -1.544 117.473 119.070 -0.087 0.000 2.586 643 H HA 0.307 4.858 4.556 -0.009 0.000 0.273 643 H C 1.449 176.534 175.328 -0.405 0.000 0.997 643 H CA 0.257 56.197 56.048 -0.179 0.000 1.177 643 H CB 0.855 30.570 29.762 -0.077 0.000 1.471 643 H HN 0.088 nan 8.280 nan 0.000 0.538 644 G N 0.896 109.578 108.800 -0.198 0.000 2.148 644 G HA2 -0.270 3.685 3.960 -0.009 0.000 0.254 644 G HA3 -0.270 3.685 3.960 -0.009 0.000 0.254 644 G C -0.311 174.477 174.900 -0.188 0.000 0.981 644 G CA -0.164 44.813 45.100 -0.205 0.000 0.670 644 G HN 0.433 nan 8.290 nan 0.000 0.528 645 H N -0.977 118.150 119.070 0.094 0.000 2.479 645 H HA 0.451 5.002 4.556 -0.009 0.000 0.335 645 H C 0.516 175.941 175.328 0.161 0.000 1.142 645 H CA -1.347 54.772 56.048 0.119 0.000 1.234 645 H CB 0.871 30.702 29.762 0.114 0.000 1.503 645 H HN 0.160 nan 8.280 nan 0.000 0.510 646 F N 2.460 122.517 119.950 0.178 0.000 2.604 646 F HA -0.096 4.426 4.527 -0.008 0.000 0.393 646 F C 0.380 176.251 175.800 0.119 0.000 1.043 646 F CA 0.524 58.596 58.000 0.121 0.000 1.227 646 F CB 0.274 39.303 39.000 0.049 0.000 1.016 646 F HN 0.372 nan 8.300 nan 0.000 0.556 647 D N 9.209 129.386 120.400 -0.372 0.000 2.454 647 D HA 0.240 4.874 4.640 -0.009 0.000 0.247 647 D C -1.884 174.125 176.300 -0.484 0.000 1.129 647 D CA -2.082 51.775 54.000 -0.238 0.000 0.877 647 D CB 1.741 42.502 40.800 -0.066 0.000 1.082 647 D HN 0.256 nan 8.370 nan 0.000 0.537 648 P HA -0.136 nan 4.420 nan 0.000 0.221 648 P C 1.173 178.449 177.300 -0.040 0.000 1.150 648 P CA 0.864 63.798 63.100 -0.278 0.000 0.800 648 P CB 0.506 32.178 31.700 -0.047 0.000 0.787 649 H N 0.594 119.720 119.070 0.093 0.000 2.363 649 H HA 0.034 4.585 4.556 -0.008 0.000 0.301 649 H C 2.086 177.240 175.328 -0.290 0.000 1.074 649 H CA 1.216 57.241 56.048 -0.038 0.000 1.354 649 H CB -0.110 29.643 29.762 -0.015 0.000 1.397 649 H HN 0.217 nan 8.280 nan 0.000 0.516 650 K N 0.530 120.863 120.400 -0.113 0.000 2.057 650 K HA -0.094 4.221 4.320 -0.009 0.000 0.207 650 K C 2.320 178.785 176.600 -0.224 0.000 1.049 650 K CA 1.069 57.245 56.287 -0.184 0.000 0.931 650 K CB -0.026 32.409 32.500 -0.109 0.000 0.714 650 K HN 0.155 nan 8.250 nan 0.000 0.440 651 I N 0.884 121.304 120.570 -0.250 0.000 2.226 651 I HA -0.266 3.899 4.170 -0.009 0.000 0.245 651 I C 2.462 178.377 176.117 -0.336 0.000 1.100 651 I CA 1.075 62.193 61.300 -0.304 0.000 1.374 651 I CB -0.352 37.418 38.000 -0.383 0.000 1.057 651 I HN 0.139 nan 8.210 nan 0.000 0.413 652 A N 0.678 123.347 122.820 -0.252 0.000 1.972 652 A HA -0.229 4.085 4.320 -0.009 0.000 0.219 652 A C 2.285 179.661 177.584 -0.346 0.000 1.169 652 A CA 1.666 53.583 52.037 -0.200 0.000 0.635 652 A CB -0.431 18.614 19.000 0.075 0.000 0.810 652 A HN 0.333 nan 8.150 nan 0.000 0.446 653 K N -1.042 119.050 120.400 -0.512 0.000 2.148 653 K HA -0.028 4.287 4.320 -0.009 0.000 0.204 653 K C 1.842 178.334 176.600 -0.180 0.000 1.050 653 K CA 1.115 57.145 56.287 -0.428 0.000 0.942 653 K CB -0.232 31.989 32.500 -0.466 0.000 0.724 653 K HN 0.415 nan 8.250 nan 0.000 0.446 654 L N 1.245 122.328 121.223 -0.233 0.000 2.072 654 L HA -0.072 4.262 4.340 -0.009 0.000 0.205 654 L C 1.793 178.349 176.870 -0.523 0.000 1.079 654 L CA 1.443 56.067 54.840 -0.361 0.000 0.752 654 L CB -0.155 41.651 42.059 -0.421 0.000 0.906 654 L HN 0.115 nan 8.230 nan 0.000 0.436 655 I N -0.064 120.176 120.570 -0.550 0.000 2.163 655 I HA -0.346 3.818 4.170 -0.009 0.000 0.243 655 I C 2.301 178.295 176.117 -0.204 0.000 1.085 655 I CA 1.859 62.866 61.300 -0.489 0.000 1.347 655 I CB -0.441 37.292 38.000 -0.444 0.000 1.044 655 I HN 0.475 nan 8.210 nan 0.000 0.408 656 N N 0.391 119.003 118.700 -0.148 0.000 2.084 656 N HA -0.053 4.682 4.740 -0.009 0.000 0.190 656 N C 0.592 176.061 175.510 -0.068 0.000 1.030 656 N CA 1.445 54.466 53.050 -0.049 0.000 0.849 656 N CB 0.126 38.591 38.487 -0.036 0.000 1.012 656 N HN 0.420 nan 8.380 nan 0.000 0.423 657 G N -1.638 107.058 108.800 -0.174 0.000 2.674 657 G HA2 0.113 4.067 3.960 -0.009 0.000 0.686 657 G HA3 0.113 4.067 3.960 -0.009 0.000 0.686 657 G C -0.859 173.931 174.900 -0.182 0.000 1.195 657 G CA -0.342 44.576 45.100 -0.304 0.000 0.776 657 G HN 0.459 nan 8.290 nan 0.000 0.654 658 F N -0.650 119.239 119.950 -0.102 0.000 2.650 658 F HA 0.935 5.456 4.527 -0.009 0.000 0.320 658 F C 0.311 176.105 175.800 -0.010 0.000 1.091 658 F CA -1.420 56.539 58.000 -0.069 0.000 0.962 658 F CB 0.996 39.931 39.000 -0.108 0.000 1.363 658 F HN 1.381 nan 8.300 nan 0.000 0.482 659 A N 1.378 124.386 122.820 0.315 0.000 2.450 659 A HA 0.493 4.808 4.320 -0.009 0.000 0.255 659 A C 0.362 178.153 177.584 0.345 0.000 1.096 659 A CA -0.438 51.791 52.037 0.319 0.000 0.778 659 A CB 0.024 19.198 19.000 0.290 0.000 1.031 659 A HN 0.956 nan 8.150 nan 0.000 0.494 660 L N 1.120 122.501 121.223 0.263 0.000 2.477 660 L HA 0.135 4.470 4.340 -0.009 0.000 0.220 660 L C 0.694 177.680 176.870 0.193 0.000 1.106 660 L CA 0.714 55.696 54.840 0.238 0.000 0.851 660 L CB -0.286 41.878 42.059 0.175 0.000 0.994 660 L HN 0.787 nan 8.230 nan 0.000 0.462 661 K N -1.393 119.139 120.400 0.220 0.000 2.555 661 K HA 0.358 4.673 4.320 -0.009 0.000 0.279 661 K C -1.548 175.204 176.600 0.254 0.000 0.986 661 K CA -1.035 55.368 56.287 0.194 0.000 0.880 661 K CB 1.250 33.843 32.500 0.155 0.000 1.474 661 K HN -0.327 nan 8.250 nan 0.000 0.433 662 D N 1.338 121.842 120.400 0.173 0.000 2.414 662 D HA 0.329 4.964 4.640 -0.009 0.000 0.242 662 D C -0.181 176.271 176.300 0.253 0.000 1.129 662 D CA 0.606 54.686 54.000 0.134 0.000 0.885 662 D CB 0.129 40.971 40.800 0.071 0.000 1.198 662 D HN 0.436 nan 8.370 nan 0.000 0.437 663 F N -1.629 118.388 119.950 0.112 0.000 2.741 663 F HA 0.519 5.043 4.527 -0.007 0.000 0.311 663 F C -1.196 174.675 175.800 0.119 0.000 1.149 663 F CA -1.312 56.748 58.000 0.100 0.000 0.930 663 F CB 1.672 40.726 39.000 0.090 0.000 1.312 663 F HN 0.068 nan 8.300 nan 0.000 0.450 664 K N 1.568 122.143 120.400 0.292 0.000 2.316 664 K HA 0.794 5.109 4.320 -0.009 0.000 0.251 664 K C -2.297 174.483 176.600 0.300 0.000 0.934 664 K CA -1.045 55.332 56.287 0.149 0.000 0.802 664 K CB 2.539 35.083 32.500 0.073 0.000 1.171 664 K HN 0.836 nan 8.250 nan 0.000 0.426 665 V N 4.778 124.809 119.914 0.196 0.000 2.532 665 V HA 0.551 4.665 4.120 -0.009 0.000 0.294 665 V C 0.212 176.340 176.094 0.058 0.000 1.036 665 V CA 0.888 63.300 62.300 0.187 0.000 0.876 665 V CB 0.478 32.483 31.823 0.304 0.000 1.012 665 V HN 1.161 nan 8.190 nan 0.000 0.432 666 G N 6.140 114.985 108.800 0.075 0.000 2.561 666 G HA2 -0.283 3.672 3.960 -0.009 0.000 0.289 666 G HA3 -0.283 3.672 3.960 -0.009 0.000 0.289 666 G C 0.454 175.367 174.900 0.022 0.000 1.169 666 G CA 0.706 45.841 45.100 0.057 0.000 0.980 666 G HN 0.682 nan 8.290 nan 0.000 0.550 667 D N 0.388 120.789 120.400 0.002 0.000 2.354 667 D HA 0.226 4.861 4.640 -0.009 0.000 0.209 667 D C 1.135 177.390 176.300 -0.076 0.000 1.015 667 D CA 0.663 54.650 54.000 -0.022 0.000 0.867 667 D CB 0.421 41.215 40.800 -0.011 0.000 0.933 667 D HN 0.305 nan 8.370 nan 0.000 0.520 668 V N 1.637 121.477 119.914 -0.124 0.000 2.498 668 V HA 0.165 4.280 4.120 -0.009 0.000 0.279 668 V C 0.465 176.385 176.094 -0.290 0.000 1.048 668 V CA -0.329 61.819 62.300 -0.253 0.000 0.967 668 V CB 1.820 33.415 31.823 -0.381 0.000 0.988 668 V HN -0.104 nan 8.190 nan 0.000 0.473 669 E N 2.930 122.913 120.200 -0.362 0.000 2.183 669 E HA 0.522 4.866 4.350 -0.009 0.000 0.271 669 E C -1.711 174.556 176.600 -0.555 0.000 0.919 669 E CA -0.570 55.626 56.400 -0.340 0.000 0.781 669 E CB 2.098 31.679 29.700 -0.199 0.000 1.140 669 E HN 0.626 nan 8.360 nan 0.000 0.402 670 Y N 1.349 121.350 120.300 -0.498 0.000 2.485 670 Y HA 0.335 4.880 4.550 -0.007 0.000 0.345 670 Y C 0.070 175.773 175.900 -0.328 0.000 0.998 670 Y CA -0.961 56.847 58.100 -0.487 0.000 1.059 670 Y CB 1.419 39.350 38.460 -0.881 0.000 1.234 670 Y HN 0.149 nan 8.280 nan 0.000 0.461 671 K N 1.396 121.796 120.400 -0.001 0.000 2.203 671 K HA 0.659 4.973 4.320 -0.009 0.000 0.251 671 K C -0.514 176.128 176.600 0.070 0.000 0.944 671 K CA -0.941 55.356 56.287 0.016 0.000 0.829 671 K CB 1.729 34.226 32.500 -0.004 0.000 1.125 671 K HN 0.776 nan 8.250 nan 0.000 0.430 672 A N 0.666 123.535 122.820 0.081 0.000 2.580 672 A HA 0.345 4.659 4.320 -0.009 0.000 0.244 672 A C 1.275 178.899 177.584 0.068 0.000 1.045 672 A CA 1.467 53.568 52.037 0.107 0.000 0.761 672 A CB -0.900 18.154 19.000 0.091 0.000 0.962 672 A HN 0.983 nan 8.150 nan 0.000 0.512 673 G N 1.409 110.259 108.800 0.083 0.000 2.234 673 G HA2 -0.212 3.743 3.960 -0.009 0.000 0.235 673 G HA3 -0.212 3.743 3.960 -0.009 0.000 0.235 673 G C 0.256 175.149 174.900 -0.012 0.000 0.997 673 G CA 0.411 45.487 45.100 -0.040 0.000 0.623 673 G HN 0.947 nan 8.290 nan 0.000 0.514 674 Q N 0.853 120.708 119.800 0.093 0.000 2.293 674 Q HA 0.460 4.795 4.340 -0.009 0.000 0.251 674 Q C 0.147 176.262 176.000 0.192 0.000 0.930 674 Q CA -0.408 55.472 55.803 0.129 0.000 0.893 674 Q CB 0.648 29.497 28.738 0.185 0.000 1.215 674 Q HN 0.283 nan 8.270 nan 0.000 0.425 675 Q N 1.565 121.462 119.800 0.161 0.000 2.364 675 Q HA 0.137 4.472 4.340 -0.009 0.000 0.267 675 Q C -0.120 175.994 176.000 0.191 0.000 0.999 675 Q CA 0.107 56.009 55.803 0.165 0.000 0.886 675 Q CB 0.601 29.410 28.738 0.118 0.000 1.243 675 Q HN 0.470 nan 8.270 nan 0.000 0.415 676 I N 1.584 122.212 120.570 0.098 0.000 2.529 676 I HA 0.032 4.196 4.170 -0.009 0.000 0.284 676 I C 1.215 177.426 176.117 0.158 0.000 1.082 676 I CA 0.036 61.366 61.300 0.050 0.000 1.406 676 I CB 0.582 38.562 38.000 -0.033 0.000 1.405 676 I HN 0.693 nan 8.210 nan 0.000 0.548 677 A N 4.523 127.518 122.820 0.291 0.000 1.970 677 A HA 0.061 4.375 4.320 -0.009 0.000 0.216 677 A C 1.103 178.671 177.584 -0.025 0.000 1.170 677 A CA 1.189 53.316 52.037 0.150 0.000 0.645 677 A CB 0.088 19.220 19.000 0.221 0.000 0.816 677 A HN 0.761 nan 8.150 nan 0.000 0.447 678 T N -2.925 111.557 114.554 -0.120 0.000 2.853 678 T HA 0.419 4.764 4.350 -0.009 0.000 0.311 678 T C 0.356 175.011 174.700 -0.075 0.000 1.307 678 T CA -0.063 61.895 62.100 -0.236 0.000 1.019 678 T CB 0.463 69.068 68.868 -0.438 0.000 1.264 678 T HN 0.574 nan 8.240 nan 0.000 0.497 679 F N 1.044 121.108 119.950 0.190 0.000 2.546 679 F HA 0.292 4.814 4.527 -0.008 0.000 0.298 679 F C 1.980 178.043 175.800 0.438 0.000 1.120 679 F CA 0.732 58.938 58.000 0.342 0.000 1.456 679 F CB -1.244 38.038 39.000 0.469 0.000 1.088 679 F HN 0.595 nan 8.300 nan 0.000 0.572 680 G N -0.244 108.779 108.800 0.372 0.000 2.470 680 G HA2 -0.210 3.745 3.960 -0.009 0.000 0.220 680 G HA3 -0.210 3.745 3.960 -0.009 0.000 0.220 680 G C 1.170 176.366 174.900 0.493 0.000 1.121 680 G CA 0.892 46.289 45.100 0.496 0.000 0.766 680 G HN 0.636 nan 8.290 nan 0.000 0.553 681 H N -0.941 118.321 119.070 0.319 0.000 2.551 681 H HA 0.333 4.883 4.556 -0.009 0.000 0.271 681 H C 0.621 176.071 175.328 0.203 0.000 0.984 681 H CA -0.930 55.300 56.048 0.304 0.000 1.164 681 H CB 0.496 30.477 29.762 0.365 0.000 1.437 681 H HN 0.181 nan 8.280 nan 0.000 0.550 682 L N 1.834 123.244 121.223 0.311 0.000 2.473 682 L HA 0.025 4.360 4.340 -0.009 0.000 0.268 682 L C 0.230 177.095 176.870 -0.008 0.000 1.215 682 L CA 0.060 54.992 54.840 0.154 0.000 0.823 682 L CB 0.493 42.727 42.059 0.292 0.000 1.099 682 L HN 0.205 nan 8.230 nan 0.000 0.483 683 Q N 0.828 120.539 119.800 -0.149 0.000 2.337 683 Q HA 0.339 4.674 4.340 -0.009 0.000 0.266 683 Q C 0.369 176.291 176.000 -0.130 0.000 1.023 683 Q CA -0.382 55.283 55.803 -0.229 0.000 0.829 683 Q CB 1.986 30.433 28.738 -0.486 0.000 1.306 683 Q HN 0.746 nan 8.270 nan 0.000 0.449 684 A N 2.135 124.893 122.820 -0.104 0.000 2.119 684 A HA -0.129 4.186 4.320 -0.009 0.000 0.217 684 A C 0.968 178.546 177.584 -0.009 0.000 1.153 684 A CA 1.447 53.458 52.037 -0.042 0.000 0.692 684 A CB -0.081 18.896 19.000 -0.039 0.000 0.799 684 A HN 0.692 nan 8.150 nan 0.000 0.458 685 D N -2.444 117.923 120.400 -0.055 0.000 2.339 685 D HA 0.280 4.915 4.640 -0.009 0.000 0.217 685 D C 1.113 177.390 176.300 -0.038 0.000 1.050 685 D CA 0.817 54.797 54.000 -0.034 0.000 0.856 685 D CB -0.378 40.398 40.800 -0.041 0.000 0.922 685 D HN 0.650 nan 8.370 nan 0.000 0.518 686 G N -0.370 108.398 108.800 -0.052 0.000 2.176 686 G HA2 -0.316 3.639 3.960 -0.009 0.000 0.232 686 G HA3 -0.316 3.639 3.960 -0.009 0.000 0.232 686 G C 1.234 176.108 174.900 -0.044 0.000 0.986 686 G CA 0.321 45.396 45.100 -0.042 0.000 0.643 686 G HN 0.298 nan 8.290 nan 0.000 0.522 687 S N 0.186 115.826 115.700 -0.100 0.000 2.481 687 S HA 0.208 4.673 4.470 -0.009 0.000 0.231 687 S C 1.294 175.855 174.600 -0.065 0.000 0.996 687 S CA 1.636 59.780 58.200 -0.093 0.000 0.942 687 S CB 0.020 63.063 63.200 -0.262 0.000 0.768 687 S HN 1.432 nan 8.310 nan 0.000 0.520 688 T N 0.034 114.515 114.554 -0.122 0.000 2.907 688 T HA 0.599 4.944 4.350 -0.009 0.000 0.292 688 T C -0.230 174.392 174.700 -0.130 0.000 1.043 688 T CA -0.901 61.142 62.100 -0.094 0.000 1.003 688 T CB 1.863 70.665 68.868 -0.109 0.000 1.084 688 T HN 0.090 nan 8.240 nan 0.000 0.483 689 T N -1.444 112.936 114.554 -0.290 0.000 2.912 689 T HA 0.746 5.091 4.350 -0.009 0.000 0.280 689 T C -0.072 174.451 174.700 -0.295 0.000 0.989 689 T CA -0.833 61.042 62.100 -0.374 0.000 0.995 689 T CB 1.338 69.701 68.868 -0.842 0.000 1.077 689 T HN 1.231 nan 8.240 nan 0.000 0.531 690 S N -0.803 114.780 115.700 -0.195 0.000 2.354 690 S HA 0.396 4.861 4.470 -0.009 0.000 0.306 690 S C 0.964 175.574 174.600 0.017 0.000 0.900 690 S CA -0.146 57.996 58.200 -0.096 0.000 0.921 690 S CB 0.031 63.275 63.200 0.074 0.000 1.209 690 S HN 1.254 nan 8.310 nan 0.000 0.433 691 G N 2.001 110.689 108.800 -0.186 0.000 2.443 691 G HA2 0.085 4.040 3.960 -0.009 0.000 0.219 691 G HA3 0.085 4.040 3.960 -0.009 0.000 0.219 691 G C 0.708 175.847 174.900 0.397 0.000 1.131 691 G CA 0.923 45.969 45.100 -0.091 0.000 0.775 691 G HN 1.208 nan 8.290 nan 0.000 0.547 692 C N 1.488 120.906 119.300 0.197 0.000 2.892 692 C HA 0.381 4.836 4.460 -0.009 0.000 0.360 692 C C 1.304 176.350 174.990 0.094 0.000 1.054 692 C CA -1.249 57.895 59.018 0.210 0.000 1.326 692 C CB -0.828 27.062 27.740 0.250 0.000 1.806 692 C HN 0.513 nan 8.230 nan 0.000 0.490 693 W N 5.445 126.713 121.300 -0.052 0.000 2.331 693 W HA -0.103 4.551 4.660 -0.009 0.000 0.291 693 W C 1.567 177.971 176.519 -0.191 0.000 1.214 693 W CA 1.850 59.075 57.345 -0.202 0.000 1.228 693 W CB -0.953 28.104 29.460 -0.672 0.000 1.135 693 W HN 0.794 nan 8.180 nan 0.000 0.537 694 I N -1.874 117.991 120.570 -1.175 0.000 2.916 694 I HA -0.156 4.009 4.170 -0.009 0.000 0.267 694 I C 1.503 177.394 176.117 -0.377 0.000 1.263 694 I CA 1.221 61.847 61.300 -1.123 0.000 1.471 694 I CB -1.044 35.909 38.000 -1.745 0.000 1.089 694 I HN -0.200 nan 8.210 nan 0.000 0.468 695 Y N 1.829 122.086 120.300 -0.071 0.000 2.457 695 Y HA 0.200 4.744 4.550 -0.009 0.000 0.263 695 Y C 1.039 176.963 175.900 0.040 0.000 1.164 695 Y CA -0.130 58.036 58.100 0.109 0.000 1.274 695 Y CB -0.058 38.417 38.460 0.025 0.000 1.097 695 Y HN 0.028 nan 8.280 nan 0.000 0.523 696 T N 0.523 115.231 114.554 0.257 0.000 2.784 696 T HA 0.354 4.699 4.350 -0.009 0.000 0.291 696 T C 1.184 175.949 174.700 0.109 0.000 0.942 696 T CA 1.050 63.258 62.100 0.181 0.000 1.161 696 T CB 0.244 69.281 68.868 0.281 0.000 0.885 696 T HN 0.638 nan 8.240 nan 0.000 0.534 697 G N 2.563 111.329 108.800 -0.057 0.000 2.284 697 G HA2 -0.296 3.658 3.960 -0.009 0.000 0.201 697 G HA3 -0.296 3.658 3.960 -0.009 0.000 0.201 697 G C 1.294 175.826 174.900 -0.614 0.000 0.998 697 G CA 0.482 45.507 45.100 -0.125 0.000 0.651 697 G HN 0.854 nan 8.290 nan 0.000 0.489 698 S N -1.295 113.828 115.700 -0.962 0.000 2.436 698 S HA 0.288 4.752 4.470 -0.009 0.000 0.228 698 S C 0.672 174.924 174.600 -0.579 0.000 1.014 698 S CA 1.403 58.784 58.200 -1.365 0.000 0.950 698 S CB 0.142 62.810 63.200 -0.887 0.000 0.784 698 S HN 1.084 nan 8.310 nan 0.000 0.504 699 Y N 2.444 122.504 120.300 -0.400 0.000 2.422 699 Y HA 0.424 4.968 4.550 -0.009 0.000 0.344 699 Y C 0.041 175.839 175.900 -0.172 0.000 1.097 699 Y CA -1.035 56.906 58.100 -0.265 0.000 1.307 699 Y CB 0.821 39.148 38.460 -0.222 0.000 1.102 699 Y HN 0.387 nan 8.280 nan 0.000 0.520 700 T N -1.041 113.548 114.554 0.058 0.000 2.819 700 T HA 0.322 4.666 4.350 -0.009 0.000 0.271 700 T C 0.914 175.661 174.700 0.078 0.000 0.986 700 T CA -0.522 61.615 62.100 0.062 0.000 0.989 700 T CB 1.035 69.906 68.868 0.006 0.000 1.396 700 T HN 0.232 nan 8.240 nan 0.000 0.597 701 E N 0.415 120.653 120.200 0.064 0.000 2.265 701 E HA -0.048 4.296 4.350 -0.009 0.000 0.196 701 E C 1.651 178.250 176.600 -0.001 0.000 0.996 701 E CA 0.863 57.286 56.400 0.039 0.000 0.832 701 E CB -0.071 29.652 29.700 0.039 0.000 0.756 701 E HN 0.515 nan 8.360 nan 0.000 0.491 702 K N 0.018 120.404 120.400 -0.024 0.000 2.444 702 K HA 0.167 4.481 4.320 -0.009 0.000 0.193 702 K C 0.925 177.460 176.600 -0.108 0.000 1.024 702 K CA 0.569 56.821 56.287 -0.059 0.000 1.077 702 K CB 0.948 33.413 32.500 -0.059 0.000 0.833 702 K HN 0.129 nan 8.250 nan 0.000 0.517 703 G N 1.875 110.598 108.800 -0.128 0.000 2.373 703 G HA2 -0.212 3.743 3.960 -0.009 0.000 0.634 703 G HA3 -0.212 3.743 3.960 -0.009 0.000 0.634 703 G C -1.362 173.175 174.900 -0.604 0.000 1.267 703 G CA -0.941 43.996 45.100 -0.272 0.000 1.008 703 G HN 0.162 nan 8.290 nan 0.000 0.497 704 N N 1.186 119.335 118.700 -0.918 0.000 2.448 704 N HA 0.284 5.019 4.740 -0.009 0.000 0.250 704 N C 1.855 176.988 175.510 -0.628 0.000 1.136 704 N CA -0.484 51.820 53.050 -1.244 0.000 0.953 704 N CB 0.357 38.046 38.487 -1.331 0.000 1.251 704 N HN 0.428 nan 8.380 nan 0.000 0.502 705 M N 1.762 121.059 119.600 -0.506 0.000 2.374 705 M HA -0.029 4.446 4.480 -0.009 0.000 0.264 705 M C 1.624 177.847 176.300 -0.129 0.000 1.067 705 M CA 0.603 55.730 55.300 -0.288 0.000 1.103 705 M CB -1.168 31.212 32.600 -0.365 0.000 1.402 705 M HN 0.586 nan 8.290 nan 0.000 0.444 706 A N -0.020 122.729 122.820 -0.118 0.000 2.168 706 A HA 0.246 4.561 4.320 -0.009 0.000 0.215 706 A C 2.184 179.807 177.584 0.065 0.000 1.152 706 A CA 1.346 53.446 52.037 0.105 0.000 0.716 706 A CB -0.497 18.677 19.000 0.290 0.000 0.794 706 A HN 0.452 nan 8.150 nan 0.000 0.465 707 A N -0.461 122.292 122.820 -0.112 0.000 2.275 707 A HA 0.239 4.554 4.320 -0.009 0.000 0.212 707 A C 1.089 178.578 177.584 -0.158 0.000 1.201 707 A CA -0.409 51.583 52.037 -0.074 0.000 0.843 707 A CB -0.065 18.818 19.000 -0.196 0.000 0.873 707 A HN 0.481 nan 8.150 nan 0.000 0.492 708 R N 0.059 120.427 120.500 -0.220 0.000 2.590 708 R HA 0.324 4.659 4.340 -0.009 0.000 0.274 708 R C -0.200 175.767 176.300 -0.555 0.000 1.061 708 R CA 0.260 56.191 56.100 -0.281 0.000 1.081 708 R CB 0.324 30.505 30.300 -0.198 0.000 0.984 708 R HN 0.248 nan 8.270 nan 0.000 0.448 709 R N 1.156 121.341 120.500 -0.525 0.000 2.688 709 R HA 0.080 4.415 4.340 -0.009 0.000 0.396 709 R C -0.960 175.230 176.300 -0.185 0.000 1.081 709 R CA -0.325 55.243 56.100 -0.887 0.000 1.093 709 R CB 0.508 30.399 30.300 -0.681 0.000 1.338 709 R HN 0.477 nan 8.270 nan 0.000 0.613 710 D N 1.172 121.555 120.400 -0.028 0.000 2.313 710 D HA 0.102 4.736 4.640 -0.009 0.000 0.239 710 D C 0.326 176.804 176.300 0.297 0.000 1.142 710 D CA -0.118 53.952 54.000 0.117 0.000 0.847 710 D CB 1.142 41.963 40.800 0.036 0.000 1.082 710 D HN 0.013 nan 8.370 nan 0.000 0.480 711 K N 1.709 122.317 120.400 0.345 0.000 2.437 711 K HA 0.100 4.415 4.320 -0.009 0.000 0.198 711 K C 0.342 177.095 176.600 0.255 0.000 1.024 711 K CA -0.100 56.445 56.287 0.430 0.000 1.148 711 K CB 0.334 33.082 32.500 0.414 0.000 0.860 711 K HN 0.310 nan 8.250 nan 0.000 0.515 712 T N 2.720 117.363 114.554 0.148 0.000 2.902 712 T HA 0.025 4.370 4.350 -0.009 0.000 0.301 712 T C -0.045 174.658 174.700 0.005 0.000 1.012 712 T CA 0.536 62.673 62.100 0.062 0.000 1.151 712 T CB 0.442 69.332 68.868 0.037 0.000 0.946 712 T HN 0.175 nan 8.240 nan 0.000 0.542 713 Q N 1.157 120.930 119.800 -0.045 0.000 2.416 713 Q HA 0.437 4.772 4.340 -0.009 0.000 0.281 713 Q C -0.026 175.929 176.000 -0.075 0.000 1.067 713 Q CA -1.032 54.709 55.803 -0.104 0.000 0.809 713 Q CB 2.022 30.626 28.738 -0.223 0.000 1.418 713 Q HN 0.783 nan 8.270 nan 0.000 0.411 714 T N -2.247 112.263 114.554 -0.073 0.000 2.754 714 T HA 0.090 4.435 4.350 -0.009 0.000 0.286 714 T C 0.506 175.172 174.700 -0.058 0.000 0.997 714 T CA -0.421 61.646 62.100 -0.055 0.000 0.982 714 T CB 0.498 69.337 68.868 -0.049 0.000 1.027 714 T HN 0.403 nan 8.240 nan 0.000 0.529 715 D N -0.193 120.182 120.400 -0.041 0.000 2.123 715 D HA -0.108 4.527 4.640 -0.009 0.000 0.196 715 D C 1.942 178.220 176.300 -0.037 0.000 0.992 715 D CA 1.192 55.172 54.000 -0.034 0.000 0.833 715 D CB -0.336 40.451 40.800 -0.022 0.000 0.954 715 D HN 0.611 nan 8.370 nan 0.000 0.455 716 M N 0.294 119.874 119.600 -0.034 0.000 2.065 716 M HA -0.261 4.214 4.480 -0.009 0.000 0.259 716 M C 2.051 178.325 176.300 -0.043 0.000 1.069 716 M CA 1.637 56.920 55.300 -0.028 0.000 1.110 716 M CB -0.015 32.572 32.600 -0.021 0.000 1.328 716 M HN -0.061 nan 8.290 nan 0.000 0.405 717 Q N -0.253 119.507 119.800 -0.066 0.000 2.096 717 Q HA -0.156 4.179 4.340 -0.009 0.000 0.204 717 Q C 2.061 177.982 176.000 -0.132 0.000 0.982 717 Q CA 1.820 57.565 55.803 -0.097 0.000 0.850 717 Q CB -0.373 28.292 28.738 -0.121 0.000 0.901 717 Q HN 0.700 nan 8.270 nan 0.000 0.422 718 A N 1.090 123.827 122.820 -0.138 0.000 1.969 718 A HA -0.192 4.123 4.320 -0.009 0.000 0.218 718 A C 2.003 179.539 177.584 -0.080 0.000 1.169 718 A CA 1.517 53.457 52.037 -0.162 0.000 0.635 718 A CB -0.315 18.612 19.000 -0.121 0.000 0.810 718 A HN 0.110 nan 8.150 nan 0.000 0.445 719 K N 0.663 121.037 120.400 -0.045 0.000 2.152 719 K HA -0.124 4.191 4.320 -0.009 0.000 0.206 719 K C 1.409 178.009 176.600 -0.001 0.000 1.048 719 K CA 2.036 58.316 56.287 -0.011 0.000 0.933 719 K CB -0.456 32.041 32.500 -0.005 0.000 0.721 719 K HN 0.723 nan 8.250 nan 0.000 0.447 720 I N -5.693 114.867 120.570 -0.015 0.000 4.139 720 I HA 0.425 4.590 4.170 -0.009 0.000 0.335 720 I C 0.717 176.840 176.117 0.010 0.000 1.327 720 I CA 0.131 61.432 61.300 0.001 0.000 1.112 720 I CB 0.701 38.705 38.000 0.006 0.000 1.058 720 I HN 0.102 nan 8.210 nan 0.000 0.396 721 G N 2.648 111.434 108.800 -0.024 0.000 2.248 721 G HA2 -0.217 3.738 3.960 -0.009 0.000 0.252 721 G HA3 -0.217 3.738 3.960 -0.009 0.000 0.252 721 G C 0.384 175.383 174.900 0.164 0.000 1.085 721 G CA 0.407 45.510 45.100 0.005 0.000 0.845 721 G HN 0.427 nan 8.290 nan 0.000 0.494 722 L N -1.529 119.703 121.223 0.015 0.000 2.156 722 L HA 0.117 4.452 4.340 -0.009 0.000 0.208 722 L C 1.704 178.594 176.870 0.033 0.000 1.095 722 L CA 0.670 55.523 54.840 0.021 0.000 0.770 722 L CB -0.287 41.721 42.059 -0.084 0.000 0.914 722 L HN 0.422 nan 8.230 nan 0.000 0.439 723 Y N -1.670 118.608 120.300 -0.036 0.000 3.001 723 Y HA -0.192 4.352 4.550 -0.009 0.000 0.199 723 Y C -1.507 174.277 175.900 -0.194 0.000 1.320 723 Y CA -0.268 57.799 58.100 -0.055 0.000 0.974 723 Y CB -1.720 36.758 38.460 0.030 0.000 1.291 723 Y HN 0.251 nan 8.280 nan 0.000 0.465 724 P HA -0.120 nan 4.420 nan 0.000 0.222 724 P C 1.614 178.841 177.300 -0.121 0.000 1.147 724 P CA 1.994 64.983 63.100 -0.185 0.000 0.790 724 P CB 0.160 31.768 31.700 -0.152 0.000 0.780 725 G N -2.571 106.221 108.800 -0.014 0.000 2.985 725 G HA2 -0.092 3.863 3.960 -0.009 0.000 0.209 725 G HA3 -0.092 3.863 3.960 -0.009 0.000 0.209 725 G C -0.250 174.674 174.900 0.039 0.000 1.165 725 G CA -0.274 44.833 45.100 0.013 0.000 0.776 725 G HN 0.230 nan 8.290 nan 0.000 0.541 726 W N 3.819 125.041 121.300 -0.129 0.000 2.308 726 W HA 0.361 5.016 4.660 -0.008 0.000 0.311 726 W C 1.016 177.405 176.519 -0.216 0.000 1.088 726 W CA 0.428 57.688 57.345 -0.142 0.000 1.309 726 W CB -0.044 29.329 29.460 -0.145 0.000 1.229 726 W HN 0.362 nan 8.180 nan 0.000 0.427 727 T N 2.359 116.713 114.554 -0.333 0.000 1.611 727 T HA -0.338 4.007 4.350 -0.009 0.000 0.771 727 T C -0.770 173.954 174.700 0.039 0.000 0.998 727 T CA 1.391 63.445 62.100 -0.076 0.000 4.060 727 T CB -1.305 67.653 68.868 0.150 0.000 2.308 727 T HN 0.810 nan 8.240 nan 0.000 0.396 728 W N 1.034 122.261 121.300 -0.123 0.000 3.479 728 W HA 0.649 5.304 4.660 -0.008 0.000 0.304 728 W C -1.097 175.369 176.519 -0.088 0.000 1.243 728 W CA -0.259 57.000 57.345 -0.144 0.000 1.202 728 W CB 1.122 30.544 29.460 -0.062 0.000 1.346 728 W HN 1.079 nan 8.180 nan 0.000 0.539 729 A N 5.680 127.966 122.820 -0.890 0.000 2.337 729 A HA 0.723 5.038 4.320 -0.009 0.000 0.329 729 A C -0.949 175.788 177.584 -1.413 0.000 1.146 729 A CA -0.757 50.788 52.037 -0.820 0.000 0.800 729 A CB 0.740 19.347 19.000 -0.656 0.000 1.220 729 A HN 0.914 nan 8.150 nan 0.000 0.472 730 W N 2.074 122.820 121.300 -0.923 0.000 2.381 730 W HA 0.644 5.299 4.660 -0.009 0.000 0.329 730 W C -3.073 173.129 176.519 -0.528 0.000 1.157 730 W CA -2.596 54.260 57.345 -0.815 0.000 1.240 730 W CB 0.738 29.848 29.460 -0.582 0.000 1.199 730 W HN 0.366 nan 8.180 nan 0.000 0.579 731 P HA 0.143 nan 4.420 nan 0.000 0.292 731 P C 0.393 177.604 177.300 -0.149 0.000 1.283 731 P CA -0.076 63.092 63.100 0.113 0.000 0.835 731 P CB 1.573 33.428 31.700 0.259 0.000 1.017 732 V N -0.841 119.060 119.914 -0.022 0.000 4.931 732 V HA -0.353 3.762 4.120 -0.009 0.000 0.254 732 V C 0.534 176.444 176.094 -0.307 0.000 0.620 732 V CA 1.416 63.689 62.300 -0.045 0.000 0.715 732 V CB -3.216 28.496 31.823 -0.184 0.000 0.589 732 V HN 0.883 nan 8.190 nan 0.000 0.982 733 N N -0.630 117.595 118.700 -0.792 0.000 2.776 733 N HA -0.221 4.514 4.740 -0.009 0.000 0.250 733 N C 0.138 175.332 175.510 -0.527 0.000 1.112 733 N CA 1.656 54.226 53.050 -0.799 0.000 0.733 733 N CB -0.888 37.278 38.487 -0.536 0.000 1.097 733 N HN 0.970 nan 8.380 nan 0.000 0.558 734 R N 0.894 121.106 120.500 -0.480 0.000 2.272 734 R HA 0.210 4.545 4.340 -0.009 0.000 0.334 734 R C 1.321 177.365 176.300 -0.427 0.000 1.117 734 R CA -0.374 55.482 56.100 -0.406 0.000 0.966 734 R CB 0.483 30.554 30.300 -0.382 0.000 1.049 734 R HN 0.166 nan 8.270 nan 0.000 0.477 735 R N 1.950 122.227 120.500 -0.371 0.000 2.090 735 R HA 0.060 4.395 4.340 -0.009 0.000 0.228 735 R C 0.510 176.686 176.300 -0.207 0.000 1.110 735 R CA 1.002 56.905 56.100 -0.329 0.000 0.973 735 R CB 0.109 30.189 30.300 -0.368 0.000 0.869 735 R HN 0.451 nan 8.270 nan 0.000 0.440 736 I N 3.147 123.598 120.570 -0.197 0.000 2.390 736 I HA 0.230 4.394 4.170 -0.009 0.000 0.283 736 I C 0.437 176.365 176.117 -0.316 0.000 1.016 736 I CA -0.785 60.410 61.300 -0.175 0.000 1.151 736 I CB 1.289 39.237 38.000 -0.085 0.000 1.293 736 I HN -0.038 nan 8.210 nan 0.000 0.458 737 I N 3.436 123.732 120.570 -0.456 0.000 2.882 737 I HA 0.158 4.323 4.170 -0.009 0.000 0.286 737 I C -0.035 175.643 176.117 -0.731 0.000 1.139 737 I CA -0.299 60.564 61.300 -0.729 0.000 1.379 737 I CB -0.009 37.369 38.000 -1.037 0.000 1.410 737 I HN 0.650 nan 8.210 nan 0.000 0.594 738 Y N 1.180 121.260 120.300 -0.367 0.000 4.490 738 Y HA -0.275 4.270 4.550 -0.009 0.000 0.233 738 Y C 1.296 176.880 175.900 -0.526 0.000 1.101 738 Y CA 0.698 58.449 58.100 -0.580 0.000 2.010 738 Y CB -3.134 34.944 38.460 -0.636 0.000 1.622 738 Y HN 0.905 nan 8.280 nan 0.000 0.675 739 N N 0.551 119.046 118.700 -0.342 0.000 2.520 739 N HA -0.103 4.631 4.740 -0.009 0.000 0.185 739 N C 1.380 176.663 175.510 -0.378 0.000 1.068 739 N CA 1.448 54.318 53.050 -0.301 0.000 0.911 739 N CB -0.303 38.020 38.487 -0.273 0.000 0.961 739 N HN 0.563 nan 8.380 nan 0.000 0.446 740 R N -0.176 120.026 120.500 -0.497 0.000 2.152 740 R HA 0.104 4.439 4.340 -0.009 0.000 0.232 740 R C 1.665 177.597 176.300 -0.613 0.000 1.117 740 R CA 1.110 56.879 56.100 -0.552 0.000 0.981 740 R CB -0.264 29.731 30.300 -0.509 0.000 0.870 740 R HN 0.393 nan 8.270 nan 0.000 0.451 741 A N 0.752 123.155 122.820 -0.696 0.000 2.206 741 A HA -0.059 4.255 4.320 -0.009 0.000 0.211 741 A C 1.882 179.379 177.584 -0.145 0.000 1.158 741 A CA 1.077 52.591 52.037 -0.871 0.000 0.761 741 A CB -0.143 18.491 19.000 -0.610 0.000 0.801 741 A HN 0.347 nan 8.150 nan 0.000 0.473 742 S N -0.689 114.965 115.700 -0.076 0.000 2.593 742 S HA 0.269 4.734 4.470 -0.009 0.000 0.217 742 S C 0.536 175.137 174.600 0.002 0.000 0.966 742 S CA 0.318 58.603 58.200 0.142 0.000 0.914 742 S CB -0.983 62.257 63.200 0.066 0.000 0.776 742 S HN 0.869 nan 8.310 nan 0.000 0.523 743 V N -0.236 119.558 119.914 -0.201 0.000 3.019 743 V HA 0.712 4.826 4.120 -0.009 0.000 0.317 743 V C -0.352 175.423 176.094 -0.531 0.000 1.094 743 V CA -1.106 60.988 62.300 -0.343 0.000 1.000 743 V CB 1.423 33.256 31.823 0.017 0.000 1.060 743 V HN 0.272 nan 8.190 nan 0.000 0.443 744 D N 1.237 121.321 120.400 -0.526 0.000 2.414 744 D HA 0.185 4.820 4.640 -0.009 0.000 0.259 744 D C 1.151 177.488 176.300 0.063 0.000 1.269 744 D CA -0.390 53.506 54.000 -0.173 0.000 1.028 744 D CB 0.443 41.244 40.800 0.001 0.000 1.093 744 D HN 0.462 nan 8.370 nan 0.000 0.545 745 L N -0.793 120.484 121.223 0.091 0.000 2.187 745 L HA -0.135 4.199 4.340 -0.009 0.000 0.213 745 L C 1.514 178.403 176.870 0.032 0.000 1.100 745 L CA 1.052 55.936 54.840 0.073 0.000 0.765 745 L CB -0.608 41.468 42.059 0.029 0.000 0.904 745 L HN 0.377 nan 8.230 nan 0.000 0.437 746 N N -0.002 118.710 118.700 0.020 0.000 2.398 746 N HA 0.034 4.769 4.740 -0.009 0.000 0.188 746 N C 1.381 176.874 175.510 -0.027 0.000 1.122 746 N CA 0.992 54.029 53.050 -0.021 0.000 0.866 746 N CB 0.834 39.329 38.487 0.014 0.000 0.970 746 N HN 0.405 nan 8.380 nan 0.000 0.462 747 G N 1.168 110.002 108.800 0.057 0.000 2.157 747 G HA2 -0.287 3.668 3.960 -0.009 0.000 0.239 747 G HA3 -0.287 3.668 3.960 -0.009 0.000 0.239 747 G C 0.073 175.080 174.900 0.177 0.000 0.982 747 G CA 0.049 45.254 45.100 0.174 0.000 0.650 747 G HN 0.433 nan 8.290 nan 0.000 0.527 748 K N 1.247 121.697 120.400 0.083 0.000 2.258 748 K HA 0.525 4.839 4.320 -0.009 0.000 0.284 748 K C -2.351 174.252 176.600 0.006 0.000 1.051 748 K CA -2.042 54.283 56.287 0.063 0.000 0.923 748 K CB 1.146 33.680 32.500 0.057 0.000 1.046 748 K HN -0.002 nan 8.250 nan 0.000 0.474 749 P HA -0.062 nan 4.420 nan 0.000 0.265 749 P C -0.431 176.921 177.300 0.086 0.000 1.193 749 P CA 0.062 63.186 63.100 0.041 0.000 0.765 749 P CB 0.219 31.967 31.700 0.081 0.000 0.823 750 Y N 2.096 122.504 120.300 0.179 0.000 2.373 750 Y HA 0.130 4.675 4.550 -0.008 0.000 0.293 750 Y C 1.491 177.456 175.900 0.109 0.000 1.129 750 Y CA 0.712 58.929 58.100 0.194 0.000 1.226 750 Y CB -0.394 38.253 38.460 0.312 0.000 1.000 750 Y HN 0.303 nan 8.280 nan 0.000 0.549 751 A N 0.700 123.659 122.820 0.233 0.000 2.893 751 A HA 0.373 4.688 4.320 -0.009 0.000 0.333 751 A C -1.802 175.837 177.584 0.092 0.000 1.152 751 A CA -1.196 50.920 52.037 0.131 0.000 0.782 751 A CB 0.344 19.407 19.000 0.106 0.000 1.108 751 A HN -0.029 nan 8.150 nan 0.000 0.469 752 P HA -0.220 nan 4.420 nan 0.000 0.218 752 P C 0.858 178.184 177.300 0.043 0.000 1.148 752 P CA 1.324 64.460 63.100 0.060 0.000 0.822 752 P CB 0.344 32.077 31.700 0.055 0.000 0.784 753 E N 0.291 120.513 120.200 0.038 0.000 2.338 753 E HA -0.117 4.227 4.350 -0.009 0.000 0.197 753 E C 0.706 177.322 176.600 0.026 0.000 1.007 753 E CA 0.761 57.178 56.400 0.027 0.000 0.849 753 E CB -0.149 29.564 29.700 0.022 0.000 0.774 753 E HN 0.531 nan 8.360 nan 0.000 0.506 754 K N -0.820 119.599 120.400 0.033 0.000 3.413 754 K HA 0.465 4.780 4.320 -0.009 0.000 0.180 754 K C -0.582 176.039 176.600 0.034 0.000 1.038 754 K CA -0.387 55.917 56.287 0.028 0.000 0.864 754 K CB 0.954 33.468 32.500 0.023 0.000 0.739 754 K HN -0.098 nan 8.250 nan 0.000 0.477 755 A N 0.666 123.508 122.820 0.038 0.000 2.462 755 A HA 0.302 4.617 4.320 -0.009 0.000 0.243 755 A C 1.072 178.672 177.584 0.027 0.000 1.076 755 A CA -0.380 51.684 52.037 0.045 0.000 0.773 755 A CB 0.524 19.555 19.000 0.051 0.000 1.010 755 A HN 0.218 nan 8.150 nan 0.000 0.493 756 V N 2.072 121.999 119.914 0.023 0.000 2.521 756 V HA 0.084 4.198 4.120 -0.009 0.000 0.239 756 V C 0.824 176.911 176.094 -0.011 0.000 1.053 756 V CA 1.653 63.948 62.300 -0.008 0.000 1.073 756 V CB -0.218 31.584 31.823 -0.033 0.000 0.746 756 V HN 0.996 nan 8.190 nan 0.000 0.476 757 V N -1.472 118.449 119.914 0.012 0.000 3.040 757 V HA 0.802 4.917 4.120 -0.009 0.000 0.312 757 V C -1.030 175.195 176.094 0.218 0.000 1.115 757 V CA -0.676 61.676 62.300 0.086 0.000 0.998 757 V CB 2.285 34.096 31.823 -0.019 0.000 1.042 757 V HN 0.431 nan 8.190 nan 0.000 0.433 758 E N 2.299 122.709 120.200 0.351 0.000 2.321 758 E HA 0.262 4.607 4.350 -0.009 0.000 0.278 758 E C -1.806 174.978 176.600 0.306 0.000 0.902 758 E CA -0.700 55.894 56.400 0.322 0.000 0.758 758 E CB 2.335 32.116 29.700 0.135 0.000 1.213 758 E HN 0.959 nan 8.360 nan 0.000 0.426 759 W N 5.431 126.636 121.300 -0.158 0.000 2.311 759 W HA 0.279 4.934 4.660 -0.009 0.000 0.310 759 W C -0.934 175.398 176.519 -0.311 0.000 1.274 759 W CA -0.378 56.593 57.345 -0.625 0.000 1.215 759 W CB 0.753 29.639 29.460 -0.956 0.000 1.227 759 W HN 0.652 nan 8.180 nan 0.000 0.523 760 N N 4.779 122.947 118.700 -0.886 0.000 2.558 760 N HA 0.311 5.045 4.740 -0.009 0.000 0.233 760 N C 0.975 175.907 175.510 -0.965 0.000 1.038 760 N CA 0.137 52.782 53.050 -0.675 0.000 0.934 760 N CB 1.060 39.272 38.487 -0.458 0.000 1.175 760 N HN 0.490 nan 8.380 nan 0.000 0.512 761 A N 3.345 125.794 122.820 -0.618 0.000 1.948 761 A HA -0.199 4.115 4.320 -0.009 0.000 0.220 761 A C 2.189 179.625 177.584 -0.246 0.000 1.177 761 A CA 1.991 53.841 52.037 -0.311 0.000 0.636 761 A CB -0.788 18.217 19.000 0.008 0.000 0.815 761 A HN 0.739 nan 8.150 nan 0.000 0.449 762 A N -0.669 122.014 122.820 -0.228 0.000 1.898 762 A HA -0.078 4.236 4.320 -0.009 0.000 0.216 762 A C 1.891 179.360 177.584 -0.191 0.000 1.181 762 A CA 1.807 53.749 52.037 -0.159 0.000 0.620 762 A CB -0.347 18.577 19.000 -0.126 0.000 0.819 762 A HN 0.501 nan 8.150 nan 0.000 0.442 763 E N -0.492 119.538 120.200 -0.282 0.000 2.442 763 E HA 0.043 4.388 4.350 -0.009 0.000 0.195 763 E C -0.266 176.112 176.600 -0.371 0.000 1.030 763 E CA 0.065 56.299 56.400 -0.276 0.000 0.869 763 E CB 0.195 29.731 29.700 -0.273 0.000 0.857 763 E HN 0.270 nan 8.360 nan 0.000 0.505 764 K N 0.935 120.981 120.400 -0.589 0.000 3.257 764 K HA -0.212 4.103 4.320 -0.009 0.000 0.270 764 K C -0.819 175.223 176.600 -0.930 0.000 0.984 764 K CA 0.856 56.686 56.287 -0.762 0.000 0.739 764 K CB -1.827 30.595 32.500 -0.130 0.000 1.351 764 K HN 0.193 nan 8.250 nan 0.000 0.463 765 K N -0.682 118.942 120.400 -1.294 0.000 2.556 765 K HA 0.407 4.722 4.320 -0.009 0.000 0.274 765 K C -0.696 175.501 176.600 -0.671 0.000 0.966 765 K CA -0.815 55.075 56.287 -0.661 0.000 0.865 765 K CB 1.212 33.525 32.500 -0.312 0.000 1.444 765 K HN 0.038 nan 8.250 nan 0.000 0.433 766 W N 2.233 123.477 121.300 -0.092 0.000 2.351 766 W HA 0.371 5.026 4.660 -0.009 0.000 0.311 766 W C 0.218 176.693 176.519 -0.073 0.000 1.168 766 W CA -0.539 56.816 57.345 0.017 0.000 1.200 766 W CB 1.212 30.730 29.460 0.096 0.000 1.221 766 W HN 0.231 nan 8.180 nan 0.000 0.519 767 V N 1.637 121.649 119.914 0.163 0.000 2.919 767 V HA 1.028 5.142 4.120 -0.009 0.000 0.316 767 V C 0.365 176.500 176.094 0.068 0.000 1.077 767 V CA 0.014 62.349 62.300 0.059 0.000 0.977 767 V CB 1.038 32.853 31.823 -0.013 0.000 1.039 767 V HN 1.138 nan 8.190 nan 0.000 0.441 768 G N 1.982 110.787 108.800 0.009 0.000 2.785 768 G HA2 -0.146 3.809 3.960 -0.009 0.000 0.218 768 G HA3 -0.146 3.809 3.960 -0.009 0.000 0.218 768 G C -0.392 174.476 174.900 -0.052 0.000 1.251 768 G CA 0.378 45.469 45.100 -0.016 0.000 1.129 768 G HN 1.157 nan 8.290 nan 0.000 0.573 769 D N 0.319 120.676 120.400 -0.073 0.000 2.371 769 D HA 0.450 5.084 4.640 -0.009 0.000 0.242 769 D C 1.011 177.228 176.300 -0.138 0.000 1.218 769 D CA 0.090 54.014 54.000 -0.126 0.000 0.945 769 D CB 1.137 41.848 40.800 -0.149 0.000 1.137 769 D HN 0.524 nan 8.370 nan 0.000 0.464 770 V N 3.800 123.602 119.914 -0.187 0.000 2.521 770 V HA 0.184 4.299 4.120 -0.009 0.000 0.286 770 V C -1.759 174.174 176.094 -0.268 0.000 1.034 770 V CA -1.008 61.172 62.300 -0.201 0.000 1.045 770 V CB 0.841 32.525 31.823 -0.232 0.000 0.974 770 V HN 0.544 nan 8.190 nan 0.000 0.480 771 P HA 0.062 nan 4.420 nan 0.000 0.271 771 P C -0.572 176.455 177.300 -0.455 0.000 1.216 771 P CA -0.230 62.569 63.100 -0.501 0.000 0.771 771 P CB 0.699 31.930 31.700 -0.782 0.000 0.864 772 D N 2.863 122.992 120.400 -0.451 0.000 2.551 772 D HA 0.341 4.975 4.640 -0.009 0.000 0.223 772 D C 0.479 176.581 176.300 -0.331 0.000 1.144 772 D CA 0.504 54.275 54.000 -0.383 0.000 1.025 772 D CB -1.247 39.321 40.800 -0.385 0.000 1.085 772 D HN 0.652 nan 8.370 nan 0.000 0.506 773 G N 4.017 112.586 108.800 -0.384 0.000 3.448 773 G HA2 -0.113 3.842 3.960 -0.009 0.000 0.685 773 G HA3 -0.113 3.842 3.960 -0.009 0.000 0.685 773 G C -2.291 172.304 174.900 -0.509 0.000 1.151 773 G CA -0.622 44.244 45.100 -0.389 0.000 1.023 773 G HN 0.259 nan 8.290 nan 0.000 0.499 774 P HA 0.109 nan 4.420 nan 0.000 0.255 774 P C 0.730 178.022 177.300 -0.013 0.000 1.248 774 P CA 0.111 62.988 63.100 -0.372 0.000 0.807 774 P CB 0.188 31.643 31.700 -0.408 0.000 1.150 775 W N 1.360 122.789 121.300 0.214 0.000 2.079 775 W HA 0.177 4.832 4.660 -0.008 0.000 0.354 775 W C -2.017 174.660 176.519 0.264 0.000 1.302 775 W CA -1.650 55.821 57.345 0.210 0.000 1.281 775 W CB -1.072 28.456 29.460 0.112 0.000 1.165 775 W HN -0.112 nan 8.180 nan 0.000 0.603 776 P HA 0.010 nan 4.420 nan 0.000 0.271 776 P C -2.224 174.935 177.300 -0.235 0.000 1.238 776 P CA -0.425 62.409 63.100 -0.444 0.000 0.794 776 P CB -0.566 30.912 31.700 -0.370 0.000 0.959 777 P HA -0.079 nan 4.420 nan 0.000 0.267 777 P C 0.794 178.048 177.300 -0.077 0.000 1.195 777 P CA 0.301 63.272 63.100 -0.216 0.000 0.773 777 P CB 0.212 31.621 31.700 -0.486 0.000 0.837 778 Q N 2.152 121.972 119.800 0.033 0.000 2.291 778 Q HA -0.173 4.161 4.340 -0.009 0.000 0.205 778 Q C 1.742 177.736 176.000 -0.010 0.000 0.970 778 Q CA 1.512 57.334 55.803 0.032 0.000 0.876 778 Q CB -0.512 28.286 28.738 0.100 0.000 0.935 778 Q HN 0.529 nan 8.270 nan 0.000 0.455 779 A N 0.617 123.419 122.820 -0.030 0.000 2.070 779 A HA -0.131 4.184 4.320 -0.009 0.000 0.220 779 A C 0.913 178.469 177.584 -0.046 0.000 1.159 779 A CA 0.976 52.992 52.037 -0.035 0.000 0.656 779 A CB -0.228 18.749 19.000 -0.037 0.000 0.800 779 A HN 0.398 nan 8.150 nan 0.000 0.453 780 D N 0.169 120.526 120.400 -0.072 0.000 2.359 780 D HA 0.164 4.799 4.640 -0.009 0.000 0.250 780 D C 0.688 176.965 176.300 -0.039 0.000 1.264 780 D CA 0.108 54.071 54.000 -0.063 0.000 0.911 780 D CB 0.550 41.291 40.800 -0.099 0.000 1.056 780 D HN 0.306 nan 8.370 nan 0.000 0.499 781 K N 2.210 122.595 120.400 -0.026 0.000 2.366 781 K HA -0.068 4.247 4.320 -0.009 0.000 0.198 781 K C 1.113 177.701 176.600 -0.020 0.000 1.044 781 K CA 0.649 56.923 56.287 -0.021 0.000 0.973 781 K CB 0.573 33.064 32.500 -0.014 0.000 0.767 781 K HN 0.257 nan 8.250 nan 0.000 0.475 782 E N 0.446 120.639 120.200 -0.013 0.000 2.102 782 E HA -0.000 4.344 4.350 -0.009 0.000 0.190 782 E C 1.380 177.980 176.600 -0.001 0.000 0.971 782 E CA 0.968 57.365 56.400 -0.004 0.000 0.821 782 E CB 0.344 30.048 29.700 0.007 0.000 0.777 782 E HN -0.010 nan 8.360 nan 0.000 0.460 783 K N -0.477 119.927 120.400 0.006 0.000 2.425 783 K HA 0.286 4.601 4.320 -0.009 0.000 0.201 783 K C 0.893 177.517 176.600 0.040 0.000 1.128 783 K CA 0.362 56.672 56.287 0.038 0.000 1.000 783 K CB 1.013 33.557 32.500 0.075 0.000 0.961 783 K HN 0.081 nan 8.250 nan 0.000 0.555 784 G N 1.873 110.672 108.800 -0.001 0.000 2.599 784 G HA2 0.298 4.252 3.960 -0.009 0.000 0.264 784 G HA3 0.298 4.252 3.960 -0.009 0.000 0.264 784 G C -0.128 174.743 174.900 -0.048 0.000 1.200 784 G CA -0.189 44.919 45.100 0.013 0.000 0.896 784 G HN -0.113 nan 8.290 nan 0.000 0.536 785 K N -0.327 120.056 120.400 -0.028 0.000 2.409 785 K HA 0.426 4.740 4.320 -0.009 0.000 0.252 785 K C -0.070 176.501 176.600 -0.049 0.000 1.036 785 K CA -0.860 55.346 56.287 -0.135 0.000 0.871 785 K CB 1.912 34.194 32.500 -0.363 0.000 1.374 785 K HN 0.516 nan 8.250 nan 0.000 0.459 786 R N -0.143 120.301 120.500 -0.094 0.000 2.543 786 R HA 0.364 4.699 4.340 -0.009 0.000 0.268 786 R C 1.226 177.500 176.300 -0.044 0.000 1.067 786 R CA -0.069 55.979 56.100 -0.086 0.000 1.142 786 R CB 0.621 30.765 30.300 -0.259 0.000 1.110 786 R HN 0.793 nan 8.270 nan 0.000 0.549 787 A N 1.598 124.403 122.820 -0.025 0.000 1.902 787 A HA -0.090 4.225 4.320 -0.009 0.000 0.217 787 A C 0.497 177.888 177.584 -0.322 0.000 1.181 787 A CA 1.204 53.097 52.037 -0.239 0.000 0.623 787 A CB -0.213 18.463 19.000 -0.540 0.000 0.818 787 A HN 0.493 nan 8.150 nan 0.000 0.443 788 F N 0.683 120.603 119.950 -0.049 0.000 2.384 788 F HA 0.295 4.817 4.527 -0.008 0.000 0.359 788 F C 1.379 177.226 175.800 0.078 0.000 1.143 788 F CA -0.653 57.359 58.000 0.020 0.000 1.216 788 F CB 0.354 39.336 39.000 -0.030 0.000 1.512 788 F HN 0.314 nan 8.300 nan 0.000 0.573 789 I N -0.566 120.106 120.570 0.170 0.000 2.614 789 I HA -0.179 3.986 4.170 -0.009 0.000 0.258 789 I C 1.524 177.816 176.117 0.291 0.000 1.189 789 I CA 1.213 62.643 61.300 0.217 0.000 1.462 789 I CB -0.076 38.078 38.000 0.258 0.000 1.092 789 I HN 0.300 nan 8.210 nan 0.000 0.442 790 M N 0.761 120.544 119.600 0.304 0.000 2.541 790 M HA 0.203 4.678 4.480 -0.009 0.000 0.252 790 M C 0.559 177.076 176.300 0.361 0.000 1.125 790 M CA 0.690 56.196 55.300 0.344 0.000 1.091 790 M CB -0.766 32.045 32.600 0.352 0.000 1.420 790 M HN 0.126 nan 8.290 nan 0.000 0.486 791 K N 0.779 121.340 120.400 0.269 0.000 2.154 791 K HA 0.228 4.543 4.320 -0.009 0.000 0.264 791 K C -1.698 175.017 176.600 0.192 0.000 1.008 791 K CA -1.669 54.711 56.287 0.156 0.000 0.937 791 K CB 0.312 32.823 32.500 0.018 0.000 1.002 791 K HN -0.174 nan 8.250 nan 0.000 0.469 792 P HA -0.110 nan 4.420 nan 0.000 0.218 792 P C 0.151 177.574 177.300 0.206 0.000 1.148 792 P CA 1.335 64.557 63.100 0.204 0.000 0.822 792 P CB 0.382 32.213 31.700 0.218 0.000 0.784 793 E N -2.422 117.943 120.200 0.275 0.000 2.489 793 E HA 0.304 4.649 4.350 -0.009 0.000 0.204 793 E C 1.339 178.064 176.600 0.208 0.000 1.006 793 E CA 0.543 57.125 56.400 0.304 0.000 0.936 793 E CB -0.310 29.707 29.700 0.529 0.000 1.002 793 E HN 0.114 nan 8.360 nan 0.000 0.488 794 G N 0.100 108.996 108.800 0.160 0.000 2.176 794 G HA2 -0.294 3.661 3.960 -0.009 0.000 0.253 794 G HA3 -0.294 3.661 3.960 -0.009 0.000 0.253 794 G C -0.416 174.488 174.900 0.007 0.000 0.979 794 G CA -0.057 45.067 45.100 0.040 0.000 0.641 794 G HN 0.238 nan 8.290 nan 0.000 0.530 795 Y N 0.834 121.268 120.300 0.224 0.000 2.377 795 Y HA 0.697 5.242 4.550 -0.008 0.000 0.339 795 Y C 0.743 176.575 175.900 -0.112 0.000 1.011 795 Y CA -0.417 57.752 58.100 0.114 0.000 1.093 795 Y CB 1.788 40.282 38.460 0.057 0.000 1.201 795 Y HN 0.439 nan 8.280 nan 0.000 0.455 796 A N 2.210 124.809 122.820 -0.368 0.000 2.445 796 A HA 0.267 4.582 4.320 -0.009 0.000 0.242 796 A C -1.384 176.152 177.584 -0.081 0.000 1.075 796 A CA -0.129 51.527 52.037 -0.634 0.000 0.777 796 A CB -0.048 18.191 19.000 -1.267 0.000 1.013 796 A HN 0.586 nan 8.150 nan 0.000 0.493 797 Y N 2.665 122.814 120.300 -0.252 0.000 2.454 797 Y HA 0.291 4.836 4.550 -0.009 0.000 0.345 797 Y C 1.014 176.820 175.900 -0.157 0.000 0.970 797 Y CA -1.004 56.980 58.100 -0.192 0.000 1.204 797 Y CB 0.842 39.248 38.460 -0.089 0.000 1.122 797 Y HN 0.600 nan 8.280 nan 0.000 0.514 798 L N 2.685 123.888 121.223 -0.034 0.000 2.007 798 L HA -0.133 4.202 4.340 -0.009 0.000 0.205 798 L C 0.433 177.282 176.870 -0.035 0.000 1.073 798 L CA 0.934 55.748 54.840 -0.042 0.000 0.744 798 L CB -0.229 41.795 42.059 -0.059 0.000 0.898 798 L HN 0.452 nan 8.230 nan 0.000 0.435 799 Y N 0.953 121.122 120.300 -0.218 0.000 2.365 799 Y HA 0.460 5.005 4.550 -0.009 0.000 0.340 799 Y C 0.252 176.012 175.900 -0.232 0.000 1.016 799 Y CA -1.050 56.894 58.100 -0.261 0.000 1.196 799 Y CB 1.072 39.363 38.460 -0.281 0.000 1.167 799 Y HN -0.077 nan 8.280 nan 0.000 0.509 800 G N 8.090 116.683 108.800 -0.345 0.000 3.114 800 G HA2 0.269 4.224 3.960 -0.009 0.000 0.320 800 G HA3 0.269 4.224 3.960 -0.009 0.000 0.320 800 G C -2.473 172.294 174.900 -0.221 0.000 1.453 800 G CA -1.388 43.658 45.100 -0.089 0.000 1.084 800 G HN 0.549 nan 8.290 nan 0.000 0.516 801 P HA 0.017 nan 4.420 nan 0.000 0.242 801 P C 1.600 178.977 177.300 0.128 0.000 1.197 801 P CA 0.470 63.533 63.100 -0.062 0.000 0.765 801 P CB 0.545 32.205 31.700 -0.067 0.000 0.936 802 G N 0.274 109.146 108.800 0.121 0.000 2.534 802 G HA2 -0.096 3.858 3.960 -0.009 0.000 0.217 802 G HA3 -0.096 3.858 3.960 -0.009 0.000 0.217 802 G C 0.880 175.850 174.900 0.115 0.000 1.128 802 G CA -0.061 45.112 45.100 0.122 0.000 0.784 802 G HN 0.160 nan 8.290 nan 0.000 0.542 803 R N 1.051 121.607 120.500 0.093 0.000 2.347 803 R HA 0.146 4.480 4.340 -0.009 0.000 0.304 803 R C 1.411 177.834 176.300 0.206 0.000 1.072 803 R CA -0.161 55.998 56.100 0.097 0.000 0.980 803 R CB 0.806 31.107 30.300 0.003 0.000 0.986 803 R HN 0.672 nan 8.270 nan 0.000 0.448 804 E N 1.091 121.416 120.200 0.209 0.000 2.333 804 E HA -0.194 4.151 4.350 -0.009 0.000 0.198 804 E C -0.126 176.737 176.600 0.439 0.000 1.007 804 E CA 1.447 58.016 56.400 0.282 0.000 0.845 804 E CB 0.086 29.914 29.700 0.213 0.000 0.766 804 E HN 0.531 nan 8.360 nan 0.000 0.507 805 D N 0.156 120.756 120.400 0.334 0.000 2.424 805 D HA 0.281 4.915 4.640 -0.009 0.000 0.220 805 D C 0.550 176.953 176.300 0.171 0.000 1.150 805 D CA 0.119 54.360 54.000 0.401 0.000 0.831 805 D CB 0.671 41.667 40.800 0.328 0.000 0.981 805 D HN 0.255 nan 8.370 nan 0.000 0.500 806 G N 1.060 109.706 108.800 -0.256 0.000 2.348 806 G HA2 0.061 4.015 3.960 -0.009 0.000 0.606 806 G HA3 0.061 4.015 3.960 -0.009 0.000 0.606 806 G C -2.830 171.333 174.900 -1.228 0.000 1.466 806 G CA -0.731 43.570 45.100 -1.331 0.000 0.950 806 G HN -0.141 nan 8.290 nan 0.000 0.657 807 P HA 0.231 nan 4.420 nan 0.000 0.245 807 P C 0.490 177.155 177.300 -1.059 0.000 1.206 807 P CA 0.464 62.750 63.100 -1.357 0.000 0.781 807 P CB 0.418 30.865 31.700 -2.088 0.000 0.994 808 L N 0.286 120.930 121.223 -0.964 0.000 2.409 808 L HA 0.506 4.840 4.340 -0.009 0.000 0.262 808 L C -2.640 174.035 176.870 -0.324 0.000 0.992 808 L CA -2.973 51.526 54.840 -0.568 0.000 0.817 808 L CB 2.728 44.349 42.059 -0.730 0.000 1.350 808 L HN -0.360 nan 8.230 nan 0.000 0.411 809 P HA 0.160 nan 4.420 nan 0.000 0.271 809 P C -1.236 176.042 177.300 -0.037 0.000 1.216 809 P CA -0.016 63.037 63.100 -0.078 0.000 0.776 809 P CB 1.023 32.678 31.700 -0.074 0.000 0.881 810 E N 1.986 122.159 120.200 -0.045 0.000 2.308 810 E HA 0.294 4.639 4.350 -0.009 0.000 0.275 810 E C -1.918 174.430 176.600 -0.420 0.000 0.890 810 E CA -0.956 55.346 56.400 -0.164 0.000 0.754 810 E CB 0.889 30.530 29.700 -0.097 0.000 1.207 810 E HN 0.300 nan 8.360 nan 0.000 0.426 811 Y N 4.135 124.124 120.300 -0.518 0.000 2.377 811 Y HA 0.415 4.960 4.550 -0.009 0.000 0.330 811 Y C -1.266 174.096 175.900 -0.897 0.000 1.108 811 Y CA 0.506 58.270 58.100 -0.560 0.000 1.308 811 Y CB 0.393 38.552 38.460 -0.501 0.000 1.216 811 Y HN 0.506 nan 8.280 nan 0.000 0.518 812 Y N 2.620 122.367 120.300 -0.922 0.000 2.562 812 Y HA 0.284 4.828 4.550 -0.009 0.000 0.345 812 Y C -0.389 174.992 175.900 -0.865 0.000 1.045 812 Y CA -1.528 56.166 58.100 -0.677 0.000 1.028 812 Y CB 1.109 39.414 38.460 -0.259 0.000 1.297 812 Y HN 0.420 nan 8.280 nan 0.000 0.463 813 E N 4.261 124.367 120.200 -0.157 0.000 2.366 813 E HA 0.080 4.425 4.350 -0.009 0.000 0.266 813 E C -1.764 174.910 176.600 0.123 0.000 1.015 813 E CA -1.650 54.770 56.400 0.033 0.000 0.906 813 E CB 0.935 30.778 29.700 0.240 0.000 0.979 813 E HN 0.371 nan 8.360 nan 0.000 0.443 814 P HA -0.044 nan 4.420 nan 0.000 0.227 814 P C 0.177 177.713 177.300 0.392 0.000 1.161 814 P CA 1.012 64.174 63.100 0.103 0.000 0.788 814 P CB 0.484 31.978 31.700 -0.345 0.000 0.822 815 M N -1.501 118.323 119.600 0.374 0.000 2.644 815 M HA 0.319 4.794 4.480 -0.009 0.000 0.304 815 M C 1.188 177.712 176.300 0.373 0.000 1.215 815 M CA -0.701 54.847 55.300 0.414 0.000 0.871 815 M CB 2.169 34.986 32.600 0.362 0.000 1.740 815 M HN -0.354 nan 8.290 nan 0.000 0.464 816 E N 0.185 120.585 120.200 0.333 0.000 2.112 816 E HA 0.034 4.379 4.350 -0.009 0.000 0.190 816 E C -0.332 176.416 176.600 0.246 0.000 0.979 816 E CA 0.885 57.454 56.400 0.282 0.000 0.814 816 E CB 0.403 30.247 29.700 0.238 0.000 0.762 816 E HN 0.610 nan 8.360 nan 0.000 0.460 817 c N 1.621 120.349 118.600 0.214 0.000 2.563 817 c HA 0.432 4.997 4.570 -0.009 0.000 0.314 817 c C -2.184 172.012 174.090 0.177 0.000 1.199 817 c CA -1.665 54.770 56.329 0.176 0.000 1.564 817 c CB 1.690 44.291 42.510 0.151 0.000 2.173 817 c HN 0.223 nan 8.230 nan 0.000 0.485 818 P HA 0.150 nan 4.420 nan 0.000 0.273 818 P C -0.687 176.700 177.300 0.145 0.000 1.250 818 P CA -0.011 63.171 63.100 0.136 0.000 0.793 818 P CB 0.548 32.319 31.700 0.120 0.000 1.011 819 V N 2.350 122.339 119.914 0.124 0.000 2.446 819 V HA 0.042 4.156 4.120 -0.009 0.000 0.276 819 V C 0.701 176.858 176.094 0.106 0.000 1.030 819 V CA 0.626 63.000 62.300 0.124 0.000 1.033 819 V CB -0.796 31.083 31.823 0.093 0.000 0.993 819 V HN 0.305 nan 8.190 nan 0.000 0.477 820 I N 5.401 126.046 120.570 0.125 0.000 2.436 820 I HA 0.415 4.580 4.170 -0.009 0.000 0.289 820 I C -0.030 176.140 176.117 0.090 0.000 1.010 820 I CA -0.520 60.844 61.300 0.107 0.000 1.098 820 I CB 1.877 39.959 38.000 0.137 0.000 1.266 820 I HN 0.468 nan 8.210 nan 0.000 0.434 821 E N 4.670 124.892 120.200 0.036 0.000 2.277 821 E HA 0.305 4.650 4.350 -0.009 0.000 0.274 821 E C -0.918 175.689 176.600 0.011 0.000 1.022 821 E CA -0.531 55.853 56.400 -0.027 0.000 0.853 821 E CB 1.515 31.164 29.700 -0.085 0.000 1.086 821 E HN 0.580 nan 8.360 nan 0.000 0.397 822 H N -0.696 118.370 119.070 -0.006 0.000 2.616 822 H HA 0.441 4.992 4.556 -0.009 0.000 0.353 822 H C -2.227 172.971 175.328 -0.216 0.000 1.170 822 H CA -2.071 53.951 56.048 -0.043 0.000 1.212 822 H CB 1.140 31.054 29.762 0.254 0.000 1.653 822 H HN 0.143 nan 8.280 nan 0.000 0.537 823 P HA 0.074 nan 4.420 nan 0.000 0.257 823 P C -0.077 176.899 177.300 -0.540 0.000 1.281 823 P CA 0.193 62.971 63.100 -0.536 0.000 0.826 823 P CB 0.029 31.325 31.700 -0.674 0.000 1.237 824 F N 0.519 120.559 119.950 0.149 0.000 2.530 824 F HA 0.129 4.651 4.527 -0.009 0.000 0.292 824 F C 1.533 177.343 175.800 0.015 0.000 1.109 824 F CA 0.487 58.481 58.000 -0.010 0.000 1.450 824 F CB -0.160 38.773 39.000 -0.112 0.000 1.114 824 F HN -0.008 nan 8.300 nan 0.000 0.560 825 S N -1.496 114.314 115.700 0.184 0.000 2.636 825 S HA 0.297 4.762 4.470 -0.009 0.000 0.266 825 S C -0.199 174.327 174.600 -0.123 0.000 1.147 825 S CA -0.973 57.257 58.200 0.049 0.000 0.815 825 S CB 1.113 64.403 63.200 0.150 0.000 1.119 825 S HN 0.036 nan 8.310 nan 0.000 0.470 826 K N 0.395 120.729 120.400 -0.110 0.000 2.487 826 K HA 0.159 4.474 4.320 -0.009 0.000 0.192 826 K C -0.206 176.330 176.600 -0.107 0.000 1.027 826 K CA 0.407 56.610 56.287 -0.141 0.000 1.054 826 K CB -0.109 32.322 32.500 -0.115 0.000 0.824 826 K HN 0.583 nan 8.250 nan 0.000 0.510 827 T N 2.210 116.756 114.554 -0.013 0.000 2.747 827 T HA 0.073 4.418 4.350 -0.009 0.000 0.301 827 T C 0.932 175.730 174.700 0.162 0.000 0.952 827 T CA -0.273 61.855 62.100 0.046 0.000 0.983 827 T CB 0.851 69.789 68.868 0.116 0.000 0.930 827 T HN 0.006 nan 8.240 nan 0.000 0.494 828 L N 3.921 125.099 121.223 -0.076 0.000 2.005 828 L HA 0.048 4.383 4.340 -0.009 0.000 0.207 828 L C 0.872 177.566 176.870 -0.294 0.000 1.072 828 L CA 1.844 56.549 54.840 -0.226 0.000 0.744 828 L CB -0.173 41.549 42.059 -0.563 0.000 0.895 828 L HN 0.619 nan 8.230 nan 0.000 0.433 829 H N -0.941 118.008 119.070 -0.202 0.000 2.651 829 H HA 0.232 4.782 4.556 -0.009 0.000 0.353 829 H C -0.345 174.641 175.328 -0.570 0.000 1.178 829 H CA -1.174 54.579 56.048 -0.491 0.000 1.224 829 H CB 0.394 29.361 29.762 -1.326 0.000 1.702 829 H HN 0.048 nan 8.280 nan 0.000 0.550 830 N N 2.592 121.014 118.700 -0.464 0.000 2.365 830 N HA -0.055 4.680 4.740 -0.009 0.000 0.265 830 N C -1.749 173.498 175.510 -0.438 0.000 1.288 830 N CA -0.758 51.832 53.050 -0.766 0.000 0.869 830 N CB 0.738 39.110 38.487 -0.192 0.000 1.071 830 N HN 0.287 nan 8.380 nan 0.000 0.480 831 P HA -0.051 nan 4.420 nan 0.000 0.228 831 P C 0.903 178.197 177.300 -0.010 0.000 1.151 831 P CA 1.144 64.080 63.100 -0.274 0.000 0.770 831 P CB 0.024 31.364 31.700 -0.599 0.000 0.786 832 T N -4.516 110.054 114.554 0.027 0.000 3.060 832 T HA 0.412 4.757 4.350 -0.009 0.000 0.249 832 T C 0.914 175.689 174.700 0.124 0.000 1.079 832 T CA -0.200 61.972 62.100 0.120 0.000 1.013 832 T CB -0.417 68.563 68.868 0.187 0.000 0.975 832 T HN 0.018 nan 8.240 nan 0.000 0.518 833 A N 1.275 124.172 122.820 0.127 0.000 2.425 833 A HA 0.661 4.976 4.320 -0.009 0.000 0.249 833 A C 0.843 178.501 177.584 0.122 0.000 1.084 833 A CA -0.479 51.662 52.037 0.174 0.000 0.781 833 A CB 0.067 19.239 19.000 0.287 0.000 1.019 833 A HN 0.540 nan 8.150 nan 0.000 0.490 834 L N 2.433 123.715 121.223 0.098 0.000 2.858 834 L HA 0.149 4.483 4.340 -0.009 0.000 0.251 834 L C 1.311 178.195 176.870 0.022 0.000 1.149 834 L CA 0.032 54.910 54.840 0.063 0.000 0.955 834 L CB -0.168 41.929 42.059 0.065 0.000 1.289 834 L HN 0.985 nan 8.230 nan 0.000 0.542 835 H N -1.862 117.145 119.070 -0.104 0.000 2.549 835 H HA 0.237 4.787 4.556 -0.009 0.000 0.279 835 H C -0.157 174.983 175.328 -0.313 0.000 1.018 835 H CA -0.560 55.349 56.048 -0.232 0.000 1.175 835 H CB -0.030 29.535 29.762 -0.328 0.000 1.485 835 H HN 0.074 nan 8.280 nan 0.000 0.543 836 F N 1.597 121.374 119.950 -0.289 0.000 2.397 836 F HA 0.473 4.995 4.527 -0.009 0.000 0.331 836 F C 0.898 176.660 175.800 -0.063 0.000 1.090 836 F CA -0.843 57.027 58.000 -0.218 0.000 1.065 836 F CB 1.309 40.135 39.000 -0.290 0.000 1.184 836 F HN 0.138 nan 8.300 nan 0.000 0.499 837 A N 2.377 125.309 122.820 0.188 0.000 3.076 837 A HA 0.158 4.472 4.320 -0.009 0.000 0.269 837 A C 1.480 179.139 177.584 0.125 0.000 1.916 837 A CA 0.389 52.502 52.037 0.126 0.000 1.492 837 A CB -1.698 17.368 19.000 0.110 0.000 1.000 837 A HN 0.988 nan 8.150 nan 0.000 0.615 838 T N -0.075 114.549 114.554 0.117 0.000 2.294 838 T HA -0.262 4.082 4.350 -0.009 0.000 0.221 838 T C 0.940 175.677 174.700 0.062 0.000 1.526 838 T CA 1.712 63.865 62.100 0.089 0.000 1.180 838 T CB -0.520 68.389 68.868 0.068 0.000 0.859 838 T HN 0.557 nan 8.240 nan 0.000 0.400 839 E N 2.379 122.606 120.200 0.046 0.000 2.357 839 E HA 0.174 4.518 4.350 -0.009 0.000 0.194 839 E C 0.738 177.357 176.600 0.033 0.000 1.177 839 E CA 0.256 56.675 56.400 0.032 0.000 0.998 839 E CB -0.110 29.604 29.700 0.023 0.000 1.106 839 E HN 0.663 nan 8.360 nan 0.000 0.470 840 E N 0.272 120.499 120.200 0.044 0.000 4.087 840 E HA 0.421 4.766 4.350 -0.009 0.000 0.195 840 E C 0.094 176.722 176.600 0.046 0.000 0.963 840 E CA -0.578 55.848 56.400 0.043 0.000 1.167 840 E CB 0.733 30.463 29.700 0.049 0.000 1.838 840 E HN -0.180 nan 8.360 nan 0.000 0.390 841 K N 0.023 120.456 120.400 0.054 0.000 2.523 841 K HA 0.596 4.911 4.320 -0.009 0.000 0.257 841 K C -1.086 175.561 176.600 0.079 0.000 0.932 841 K CA -0.727 55.595 56.287 0.058 0.000 0.812 841 K CB 2.416 34.942 32.500 0.044 0.000 1.326 841 K HN 0.475 nan 8.250 nan 0.000 0.433 842 A N 1.834 124.714 122.820 0.100 0.000 2.491 842 A HA 0.250 4.564 4.320 -0.009 0.000 0.261 842 A C 0.396 178.036 177.584 0.092 0.000 1.101 842 A CA -0.406 51.702 52.037 0.118 0.000 0.772 842 A CB -0.401 18.694 19.000 0.158 0.000 1.043 842 A HN 0.421 nan 8.150 nan 0.000 0.501 843 V N 1.145 121.110 119.914 0.085 0.000 2.353 843 V HA 0.378 4.492 4.120 -0.009 0.000 0.264 843 V C -0.062 176.082 176.094 0.083 0.000 1.049 843 V CA -0.907 61.437 62.300 0.072 0.000 0.896 843 V CB -0.158 31.702 31.823 0.061 0.000 1.025 843 V HN 0.728 nan 8.190 nan 0.000 0.475 844 c N 5.409 124.058 118.600 0.081 0.000 2.203 844 c HA 0.348 4.913 4.570 -0.009 0.000 0.325 844 c C 0.516 174.651 174.090 0.075 0.000 1.156 844 c CA -0.379 56.003 56.329 0.089 0.000 1.597 844 c CB -0.564 42.001 42.510 0.092 0.000 2.148 844 c HN 0.936 nan 8.230 nan 0.000 0.472 845 D N 5.242 125.701 120.400 0.098 0.000 2.434 845 D HA 0.044 4.678 4.640 -0.009 0.000 0.252 845 D C -0.881 175.434 176.300 0.024 0.000 1.185 845 D CA -1.339 52.712 54.000 0.085 0.000 0.886 845 D CB 1.119 42.029 40.800 0.183 0.000 1.148 845 D HN 0.333 nan 8.370 nan 0.000 0.483 846 P HA -0.053 nan 4.420 nan 0.000 0.230 846 P C 1.014 178.197 177.300 -0.194 0.000 1.158 846 P CA 0.542 63.590 63.100 -0.088 0.000 0.769 846 P CB 0.326 31.988 31.700 -0.063 0.000 0.807 847 R N -1.035 119.286 120.500 -0.299 0.000 2.148 847 R HA -0.067 4.268 4.340 -0.009 0.000 0.227 847 R C 0.303 176.136 176.300 -0.778 0.000 1.103 847 R CA 1.041 56.781 56.100 -0.601 0.000 0.983 847 R CB -0.376 29.389 30.300 -0.890 0.000 0.874 847 R HN 0.317 nan 8.270 nan 0.000 0.451 848 Y N -0.466 119.784 120.300 -0.083 0.000 2.658 848 Y HA 0.290 4.835 4.550 -0.009 0.000 0.362 848 Y C -1.925 173.885 175.900 -0.149 0.000 1.017 848 Y CA -2.763 55.285 58.100 -0.088 0.000 1.134 848 Y CB 1.074 39.532 38.460 -0.004 0.000 1.144 848 Y HN -0.034 nan 8.280 nan 0.000 0.655 849 P HA -0.019 nan 4.420 nan 0.000 0.227 849 P C -0.272 176.883 177.300 -0.242 0.000 1.161 849 P CA 0.850 63.724 63.100 -0.376 0.000 0.788 849 P CB 0.322 31.590 31.700 -0.721 0.000 0.822 850 F N -0.179 119.860 119.950 0.150 0.000 2.432 850 F HA 0.372 4.894 4.527 -0.009 0.000 0.329 850 F C 1.080 176.931 175.800 0.086 0.000 1.076 850 F CA -2.073 56.010 58.000 0.139 0.000 1.018 850 F CB 0.180 39.253 39.000 0.121 0.000 1.201 850 F HN -0.342 nan 8.300 nan 0.000 0.489 851 I N 2.430 123.170 120.570 0.283 0.000 2.371 851 I HA 0.175 4.340 4.170 -0.009 0.000 0.290 851 I C -0.342 175.754 176.117 -0.035 0.000 1.028 851 I CA -0.267 61.085 61.300 0.087 0.000 1.345 851 I CB 0.880 38.944 38.000 0.106 0.000 1.407 851 I HN 0.522 nan 8.210 nan 0.000 0.501 852 C N 5.786 124.870 119.300 -0.360 0.000 2.355 852 C HA 0.652 5.107 4.460 -0.009 0.000 0.332 852 C C 0.326 174.864 174.990 -0.754 0.000 1.255 852 C CA -0.117 58.580 59.018 -0.535 0.000 1.792 852 C CB 0.967 28.317 27.740 -0.651 0.000 2.300 852 C HN 0.825 nan 8.230 nan 0.000 0.515 853 S N 2.719 118.240 115.700 -0.298 0.000 2.568 853 S HA 0.859 5.324 4.470 -0.009 0.000 0.302 853 S C -0.263 174.291 174.600 -0.076 0.000 1.082 853 S CA -0.238 57.884 58.200 -0.130 0.000 1.009 853 S CB 1.544 64.813 63.200 0.115 0.000 1.069 853 S HN 1.015 nan 8.310 nan 0.000 0.500 854 T N 1.420 115.954 114.554 -0.033 0.000 2.885 854 T HA 0.836 5.181 4.350 -0.009 0.000 0.285 854 T C -0.932 173.738 174.700 -0.050 0.000 1.019 854 T CA -0.520 61.474 62.100 -0.178 0.000 1.010 854 T CB 1.128 69.937 68.868 -0.098 0.000 1.022 854 T HN 0.845 nan 8.240 nan 0.000 0.466 855 Y N -1.119 119.248 120.300 0.112 0.000 2.871 855 Y HA 0.773 5.318 4.550 -0.009 0.000 0.331 855 Y C -0.787 175.252 175.900 0.232 0.000 1.378 855 Y CA -1.832 56.364 58.100 0.160 0.000 1.079 855 Y CB 0.571 39.117 38.460 0.142 0.000 1.441 855 Y HN 0.716 nan 8.280 nan 0.000 0.446 856 R N 0.712 121.538 120.500 0.544 0.000 2.782 856 R HA 0.847 5.181 4.340 -0.009 0.000 0.258 856 R C -0.933 175.719 176.300 0.586 0.000 1.055 856 R CA -0.892 55.525 56.100 0.528 0.000 1.065 856 R CB 2.056 32.642 30.300 0.478 0.000 1.172 856 R HN 0.704 nan 8.270 nan 0.000 0.510 857 V N -2.557 117.722 119.914 0.608 0.000 3.001 857 V HA 0.383 4.498 4.120 -0.009 0.000 0.314 857 V C 0.715 176.897 176.094 0.146 0.000 1.099 857 V CA -0.785 61.724 62.300 0.348 0.000 0.989 857 V CB 1.932 33.980 31.823 0.376 0.000 1.040 857 V HN 0.810 nan 8.190 nan 0.000 0.434 858 T N 1.636 116.228 114.554 0.063 0.000 2.737 858 T HA -0.138 4.206 4.350 -0.009 0.000 0.269 858 T C 1.364 176.004 174.700 -0.101 0.000 1.040 858 T CA 2.624 64.713 62.100 -0.018 0.000 1.142 858 T CB -0.183 68.656 68.868 -0.048 0.000 0.861 858 T HN 0.913 nan 8.240 nan 0.000 0.456 859 E N -0.146 119.963 120.200 -0.152 0.000 2.435 859 E HA 0.071 4.415 4.350 -0.009 0.000 0.195 859 E C 0.618 176.919 176.600 -0.499 0.000 1.029 859 E CA 0.507 56.727 56.400 -0.299 0.000 0.865 859 E CB 0.088 29.607 29.700 -0.302 0.000 0.833 859 E HN 0.541 nan 8.360 nan 0.000 0.510 860 H N -1.419 117.421 119.070 -0.383 0.000 2.651 860 H HA 0.296 4.847 4.556 -0.009 0.000 0.353 860 H C -0.949 174.074 175.328 -0.509 0.000 1.178 860 H CA -0.734 54.945 56.048 -0.616 0.000 1.224 860 H CB 1.195 30.297 29.762 -1.099 0.000 1.702 860 H HN 0.140 nan 8.280 nan 0.000 0.550 861 W N 3.264 124.332 121.300 -0.386 0.000 2.554 861 W HA 0.142 4.797 4.660 -0.009 0.000 0.324 861 W C -0.657 175.791 176.519 -0.118 0.000 1.018 861 W CA -0.478 56.764 57.345 -0.171 0.000 1.243 861 W CB 1.232 30.676 29.460 -0.026 0.000 1.345 861 W HN 0.695 nan 8.180 nan 0.000 0.441 862 Q N 0.465 119.853 119.800 -0.686 0.000 1.675 862 Q HA -0.338 3.997 4.340 -0.009 0.000 0.365 862 Q C 1.511 176.756 176.000 -1.259 0.000 0.856 862 Q CA 2.771 58.019 55.803 -0.926 0.000 0.832 862 Q CB -1.846 26.513 28.738 -0.632 0.000 3.604 862 Q HN 0.771 nan 8.270 nan 0.000 0.678 863 T N -1.142 113.010 114.554 -0.670 0.000 3.163 863 T HA 0.271 4.616 4.350 -0.009 0.000 0.260 863 T C 1.328 175.798 174.700 -0.385 0.000 1.156 863 T CA 1.823 63.645 62.100 -0.465 0.000 1.072 863 T CB -0.400 68.428 68.868 -0.066 0.000 0.937 863 T HN 1.461 nan 8.240 nan 0.000 0.528 864 G N 0.698 109.300 108.800 -0.329 0.000 2.179 864 G HA2 -0.305 3.650 3.960 -0.009 0.000 0.260 864 G HA3 -0.305 3.650 3.960 -0.009 0.000 0.260 864 G C 0.581 175.407 174.900 -0.123 0.000 0.977 864 G CA 0.407 45.335 45.100 -0.287 0.000 0.641 864 G HN 0.578 nan 8.290 nan 0.000 0.533 865 L N 0.402 121.600 121.223 -0.042 0.000 1.997 865 L HA -0.026 4.309 4.340 -0.009 0.000 0.216 865 L C 2.922 179.832 176.870 0.066 0.000 1.074 865 L CA 3.270 58.121 54.840 0.018 0.000 0.763 865 L CB -0.440 41.691 42.059 0.121 0.000 0.890 865 L HN 0.508 nan 8.230 nan 0.000 0.434 866 M N -1.617 118.134 119.600 0.252 0.000 2.132 866 M HA -0.145 4.330 4.480 -0.009 0.000 0.263 866 M C 1.948 178.373 176.300 0.208 0.000 1.065 866 M CA 2.206 57.727 55.300 0.368 0.000 1.122 866 M CB -0.709 32.217 32.600 0.543 0.000 1.365 866 M HN 0.555 nan 8.290 nan 0.000 0.411 867 T N -2.426 112.233 114.554 0.176 0.000 3.044 867 T HA 0.110 4.454 4.350 -0.009 0.000 0.255 867 T C 1.827 176.622 174.700 0.159 0.000 1.073 867 T CA 0.115 62.297 62.100 0.136 0.000 1.125 867 T CB -0.198 68.739 68.868 0.115 0.000 0.908 867 T HN 0.281 nan 8.240 nan 0.000 0.480 868 R N 1.550 122.109 120.500 0.100 0.000 2.105 868 R HA 0.070 4.405 4.340 -0.009 0.000 0.239 868 R C 1.757 178.141 176.300 0.139 0.000 1.135 868 R CA 1.293 57.458 56.100 0.108 0.000 0.967 868 R CB -0.296 30.001 30.300 -0.005 0.000 0.861 868 R HN 0.414 nan 8.270 nan 0.000 0.442 869 N N 0.306 118.923 118.700 -0.138 0.000 2.449 869 N HA -0.018 4.717 4.740 -0.009 0.000 0.191 869 N C -0.476 174.884 175.510 -0.250 0.000 1.161 869 N CA 0.566 53.343 53.050 -0.454 0.000 0.863 869 N CB 0.723 38.385 38.487 -1.375 0.000 0.980 869 N HN 0.037 nan 8.380 nan 0.000 0.458 870 T N 1.593 116.112 114.554 -0.057 0.000 2.874 870 T HA 0.227 4.572 4.350 -0.009 0.000 0.321 870 T C -1.767 172.927 174.700 -0.011 0.000 1.075 870 T CA -1.476 60.607 62.100 -0.028 0.000 0.966 870 T CB 2.367 71.268 68.868 0.055 0.000 1.001 870 T HN -0.053 nan 8.240 nan 0.000 0.476 871 P HA -0.102 nan 4.420 nan 0.000 0.216 871 P C 1.278 178.620 177.300 0.070 0.000 1.153 871 P CA 1.015 64.097 63.100 -0.031 0.000 0.858 871 P CB 0.091 31.711 31.700 -0.133 0.000 0.789 872 W N -0.881 120.456 121.300 0.062 0.000 2.392 872 W HA 0.006 4.661 4.660 -0.009 0.000 0.279 872 W C 2.030 178.537 176.519 -0.020 0.000 1.225 872 W CA 0.754 58.115 57.345 0.027 0.000 1.233 872 W CB -1.330 28.149 29.460 0.032 0.000 1.122 872 W HN 0.032 nan 8.180 nan 0.000 0.561 873 L N -0.993 120.324 121.223 0.155 0.000 2.145 873 L HA -0.106 4.229 4.340 -0.009 0.000 0.201 873 L C 2.397 179.218 176.870 -0.081 0.000 1.075 873 L CA 0.279 55.091 54.840 -0.047 0.000 0.773 873 L CB -1.199 40.765 42.059 -0.158 0.000 0.936 873 L HN -0.161 nan 8.230 nan 0.000 0.451 874 L N 0.698 121.956 121.223 0.058 0.000 2.079 874 L HA -0.248 4.087 4.340 -0.009 0.000 0.210 874 L C 2.513 179.469 176.870 0.142 0.000 1.081 874 L CA 1.820 56.763 54.840 0.172 0.000 0.752 874 L CB -0.513 41.666 42.059 0.199 0.000 0.896 874 L HN 0.310 nan 8.230 nan 0.000 0.433 875 E N -0.640 119.634 120.200 0.123 0.000 2.097 875 E HA -0.296 4.049 4.350 -0.009 0.000 0.196 875 E C 2.016 178.669 176.600 0.088 0.000 1.000 875 E CA 1.431 57.899 56.400 0.114 0.000 0.804 875 E CB -0.199 29.586 29.700 0.141 0.000 0.740 875 E HN 0.613 nan 8.360 nan 0.000 0.454 876 A N 0.251 123.106 122.820 0.059 0.000 1.968 876 A HA -0.060 4.254 4.320 -0.009 0.000 0.217 876 A C 0.886 178.504 177.584 0.057 0.000 1.169 876 A CA 0.956 53.010 52.037 0.028 0.000 0.638 876 A CB 0.205 19.192 19.000 -0.022 0.000 0.812 876 A HN 0.183 nan 8.150 nan 0.000 0.446 877 E N -0.961 119.306 120.200 0.112 0.000 3.117 877 E HA 0.159 4.504 4.350 -0.009 0.000 0.262 877 E C -2.393 174.479 176.600 0.453 0.000 1.202 877 E CA -1.265 55.299 56.400 0.274 0.000 0.853 877 E CB 1.379 31.270 29.700 0.317 0.000 1.426 877 E HN 0.344 nan 8.360 nan 0.000 0.387 878 P HA -0.030 nan 4.420 nan 0.000 0.235 878 P C -0.001 177.448 177.300 0.248 0.000 1.177 878 P CA 0.633 63.894 63.100 0.269 0.000 0.785 878 P CB 1.161 32.953 31.700 0.153 0.000 0.885 879 Q N -1.364 118.518 119.800 0.136 0.000 2.462 879 Q HA 0.411 4.746 4.340 -0.009 0.000 0.285 879 Q C -0.393 175.167 176.000 -0.734 0.000 1.035 879 Q CA -1.190 54.473 55.803 -0.234 0.000 0.799 879 Q CB 1.510 30.292 28.738 0.073 0.000 1.452 879 Q HN -0.151 nan 8.270 nan 0.000 0.404 880 M N 2.177 120.977 119.600 -1.333 0.000 2.248 880 M HA 0.129 4.604 4.480 -0.009 0.000 0.343 880 M C -0.688 175.395 176.300 -0.360 0.000 1.243 880 M CA 0.967 55.614 55.300 -1.090 0.000 1.025 880 M CB -0.673 31.306 32.600 -1.034 0.000 1.759 880 M HN 0.616 nan 8.290 nan 0.000 0.452 881 F N 1.980 121.803 119.950 -0.212 0.000 2.640 881 F HA 0.697 5.218 4.527 -0.009 0.000 0.324 881 F C -1.050 174.732 175.800 -0.030 0.000 1.077 881 F CA -1.807 56.158 58.000 -0.059 0.000 0.965 881 F CB 1.158 40.164 39.000 0.010 0.000 1.351 881 F HN 0.501 nan 8.300 nan 0.000 0.487 882 C N 1.814 121.309 119.300 0.324 0.000 2.442 882 C HA 0.510 4.965 4.460 -0.009 0.000 0.335 882 C C -0.825 174.348 174.990 0.305 0.000 1.134 882 C CA -0.210 58.939 59.018 0.219 0.000 1.344 882 C CB 0.149 27.948 27.740 0.098 0.000 1.956 882 C HN 0.909 nan 8.230 nan 0.000 0.438 883 E N 5.950 126.378 120.200 0.380 0.000 2.259 883 E HA 0.533 4.878 4.350 -0.009 0.000 0.281 883 E C -0.093 176.610 176.600 0.171 0.000 1.037 883 E CA 0.190 56.759 56.400 0.281 0.000 0.854 883 E CB 1.101 31.024 29.700 0.372 0.000 1.051 883 E HN 0.832 nan 8.360 nan 0.000 0.409 884 M N -0.267 119.389 119.600 0.093 0.000 2.569 884 M HA 0.462 4.937 4.480 -0.009 0.000 0.279 884 M C -0.394 175.909 176.300 0.005 0.000 1.253 884 M CA -1.055 54.263 55.300 0.031 0.000 0.867 884 M CB 1.867 34.450 32.600 -0.028 0.000 1.727 884 M HN 0.352 nan 8.290 nan 0.000 0.467 885 S N 0.257 115.946 115.700 -0.017 0.000 2.608 885 S HA 0.228 4.693 4.470 -0.009 0.000 0.261 885 S C 0.495 175.068 174.600 -0.045 0.000 1.314 885 S CA -0.049 58.137 58.200 -0.024 0.000 0.992 885 S CB 0.816 64.008 63.200 -0.013 0.000 0.935 885 S HN 0.866 nan 8.310 nan 0.000 0.564 886 E N 0.863 121.041 120.200 -0.036 0.000 2.072 886 E HA -0.166 4.179 4.350 -0.009 0.000 0.191 886 E C 1.886 178.458 176.600 -0.047 0.000 0.985 886 E CA 1.471 57.849 56.400 -0.037 0.000 0.801 886 E CB -0.230 29.453 29.700 -0.029 0.000 0.750 886 E HN 0.758 nan 8.360 nan 0.000 0.452 887 E N 0.994 121.173 120.200 -0.036 0.000 2.049 887 E HA -0.222 4.123 4.350 -0.009 0.000 0.198 887 E C 1.956 178.481 176.600 -0.125 0.000 1.007 887 E CA 0.907 57.288 56.400 -0.031 0.000 0.809 887 E CB -0.240 29.489 29.700 0.049 0.000 0.749 887 E HN 0.073 nan 8.360 nan 0.000 0.450 888 L N 0.462 121.547 121.223 -0.230 0.000 2.046 888 L HA -0.117 4.218 4.340 -0.009 0.000 0.208 888 L C 2.081 178.799 176.870 -0.254 0.000 1.077 888 L CA 2.098 56.684 54.840 -0.423 0.000 0.747 888 L CB -0.943 40.799 42.059 -0.528 0.000 0.896 888 L HN 0.147 nan 8.230 nan 0.000 0.432 889 A N -1.713 121.014 122.820 -0.154 0.000 1.883 889 A HA -0.241 4.074 4.320 -0.009 0.000 0.217 889 A C 2.284 179.829 177.584 -0.066 0.000 1.186 889 A CA 2.458 54.441 52.037 -0.090 0.000 0.624 889 A CB -1.261 17.706 19.000 -0.055 0.000 0.822 889 A HN 0.496 nan 8.150 nan 0.000 0.444 890 T N 0.067 114.585 114.554 -0.061 0.000 2.652 890 T HA -0.182 4.163 4.350 -0.009 0.000 0.267 890 T C 1.858 176.538 174.700 -0.034 0.000 1.039 890 T CA 1.656 63.734 62.100 -0.037 0.000 1.153 890 T CB -0.481 68.371 68.868 -0.027 0.000 0.863 890 T HN 0.366 nan 8.240 nan 0.000 0.428 891 L N 0.970 122.159 121.223 -0.058 0.000 2.081 891 L HA -0.093 4.242 4.340 -0.009 0.000 0.212 891 L C 2.127 178.994 176.870 -0.006 0.000 1.080 891 L CA 1.782 56.602 54.840 -0.032 0.000 0.754 891 L CB -0.237 41.781 42.059 -0.068 0.000 0.893 891 L HN 0.008 nan 8.230 nan 0.000 0.433 892 R N -0.140 120.343 120.500 -0.028 0.000 2.300 892 R HA 0.314 4.648 4.340 -0.009 0.000 0.199 892 R C 1.212 177.518 176.300 0.011 0.000 0.920 892 R CA 0.652 56.758 56.100 0.010 0.000 1.046 892 R CB -0.466 29.836 30.300 0.003 0.000 0.984 892 R HN 0.498 nan 8.270 nan 0.000 0.493 893 G N 1.813 110.612 108.800 -0.002 0.000 2.182 893 G HA2 -0.243 3.712 3.960 -0.009 0.000 0.248 893 G HA3 -0.243 3.712 3.960 -0.009 0.000 0.248 893 G C 0.001 174.902 174.900 0.001 0.000 1.042 893 G CA -0.085 45.016 45.100 0.002 0.000 0.775 893 G HN 0.255 nan 8.290 nan 0.000 0.501 894 I N 0.165 120.732 120.570 -0.006 0.000 2.359 894 I HA 0.389 4.553 4.170 -0.009 0.000 0.294 894 I C 0.603 176.717 176.117 -0.004 0.000 0.987 894 I CA -0.646 60.653 61.300 -0.001 0.000 1.225 894 I CB 1.466 39.464 38.000 -0.003 0.000 1.366 894 I HN -0.034 nan 8.210 nan 0.000 0.466 895 K N 3.636 124.037 120.400 0.002 0.000 2.123 895 K HA 0.296 4.610 4.320 -0.009 0.000 0.248 895 K C -0.274 176.329 176.600 0.005 0.000 0.969 895 K CA -0.996 55.291 56.287 0.000 0.000 0.882 895 K CB 0.995 33.495 32.500 -0.001 0.000 1.080 895 K HN 0.362 nan 8.250 nan 0.000 0.441 896 N N 0.401 119.102 118.700 0.002 0.000 2.454 896 N HA 0.024 4.759 4.740 -0.009 0.000 0.260 896 N C 0.758 176.275 175.510 0.012 0.000 1.218 896 N CA 1.836 54.890 53.050 0.006 0.000 0.904 896 N CB 0.405 38.891 38.487 -0.002 0.000 1.065 896 N HN 0.755 nan 8.380 nan 0.000 0.462 897 G N 2.038 110.852 108.800 0.025 0.000 2.199 897 G HA2 -0.258 3.697 3.960 -0.009 0.000 0.254 897 G HA3 -0.258 3.697 3.960 -0.009 0.000 0.254 897 G C -0.189 174.732 174.900 0.035 0.000 0.982 897 G CA 0.163 45.282 45.100 0.032 0.000 0.632 897 G HN 0.664 nan 8.290 nan 0.000 0.529 898 D N 0.785 121.204 120.400 0.032 0.000 2.443 898 D HA 0.314 4.949 4.640 -0.009 0.000 0.239 898 D C 0.807 177.138 176.300 0.052 0.000 1.136 898 D CA 0.213 54.230 54.000 0.029 0.000 0.879 898 D CB 0.760 41.576 40.800 0.026 0.000 1.195 898 D HN 0.431 nan 8.370 nan 0.000 0.443 899 K N 1.310 121.732 120.400 0.036 0.000 2.412 899 K HA 0.249 4.563 4.320 -0.009 0.000 0.281 899 K C -0.454 176.199 176.600 0.089 0.000 1.027 899 K CA -0.397 55.930 56.287 0.067 0.000 0.989 899 K CB 0.404 32.890 32.500 -0.025 0.000 0.935 899 K HN 0.283 nan 8.250 nan 0.000 0.475 900 V N 1.855 121.855 119.914 0.143 0.000 3.001 900 V HA 0.591 4.706 4.120 -0.009 0.000 0.314 900 V C -0.673 175.516 176.094 0.159 0.000 1.099 900 V CA -1.138 61.236 62.300 0.123 0.000 0.989 900 V CB 1.772 33.657 31.823 0.102 0.000 1.040 900 V HN 0.511 nan 8.190 nan 0.000 0.434 901 I N 3.090 123.740 120.570 0.134 0.000 2.378 901 I HA 0.541 4.706 4.170 -0.009 0.000 0.291 901 I C -0.551 175.646 176.117 0.133 0.000 0.992 901 I CA -0.514 60.871 61.300 0.142 0.000 1.154 901 I CB 1.291 39.365 38.000 0.125 0.000 1.315 901 I HN 0.551 nan 8.210 nan 0.000 0.448 902 L N 6.461 127.759 121.223 0.124 0.000 2.325 902 L HA 0.490 4.825 4.340 -0.009 0.000 0.278 902 L C 0.071 177.026 176.870 0.143 0.000 1.023 902 L CA -0.111 54.812 54.840 0.139 0.000 0.811 902 L CB 1.256 43.385 42.059 0.117 0.000 1.249 902 L HN 0.522 nan 8.230 nan 0.000 0.431 903 E N 0.778 121.091 120.200 0.190 0.000 2.331 903 E HA 0.638 4.983 4.350 -0.009 0.000 0.275 903 E C -1.257 175.487 176.600 0.240 0.000 0.895 903 E CA -0.570 55.953 56.400 0.204 0.000 0.753 903 E CB 2.330 32.181 29.700 0.252 0.000 1.216 903 E HN 0.621 nan 8.360 nan 0.000 0.434 904 S N -0.334 115.396 115.700 0.051 0.000 2.745 904 S HA 0.343 4.808 4.470 -0.009 0.000 0.306 904 S C 1.101 175.419 174.600 -0.469 0.000 1.137 904 S CA -0.360 57.653 58.200 -0.311 0.000 0.900 904 S CB 0.861 63.961 63.200 -0.168 0.000 1.176 904 S HN 0.411 nan 8.310 nan 0.000 0.520 905 V N -1.067 118.396 119.914 -0.751 0.000 2.720 905 V HA 0.013 4.128 4.120 -0.009 0.000 0.256 905 V C 2.145 178.132 176.094 -0.177 0.000 1.082 905 V CA 1.558 63.631 62.300 -0.379 0.000 1.101 905 V CB -1.267 30.375 31.823 -0.300 0.000 0.693 905 V HN 0.767 nan 8.190 nan 0.000 0.479 906 R N 0.916 121.302 120.500 -0.191 0.000 2.173 906 R HA 0.496 4.831 4.340 -0.009 0.000 0.208 906 R C 0.990 177.233 176.300 -0.095 0.000 1.035 906 R CA 0.920 56.935 56.100 -0.143 0.000 1.004 906 R CB 0.391 30.581 30.300 -0.183 0.000 0.917 906 R HN 0.750 nan 8.270 nan 0.000 0.462 907 G N -0.728 108.029 108.800 -0.072 0.000 2.321 907 G HA2 0.282 4.236 3.960 -0.009 0.000 0.296 907 G HA3 0.282 4.236 3.960 -0.009 0.000 0.296 907 G C -1.820 173.084 174.900 0.007 0.000 1.287 907 G CA -0.774 44.308 45.100 -0.031 0.000 0.846 907 G HN 0.047 nan 8.290 nan 0.000 0.508 908 K N -1.309 119.103 120.400 0.020 0.000 2.527 908 K HA 0.787 5.101 4.320 -0.009 0.000 0.260 908 K C -1.576 175.047 176.600 0.038 0.000 0.937 908 K CA -0.945 55.371 56.287 0.049 0.000 0.826 908 K CB 2.373 34.918 32.500 0.075 0.000 1.359 908 K HN 1.328 nan 8.250 nan 0.000 0.434 909 L N -2.193 119.055 121.223 0.042 0.000 2.540 909 L HA 0.683 5.018 4.340 -0.009 0.000 0.256 909 L C -0.986 175.916 176.870 0.054 0.000 1.001 909 L CA -0.805 54.033 54.840 -0.004 0.000 0.843 909 L CB 1.203 43.196 42.059 -0.111 0.000 1.436 909 L HN 0.843 nan 8.230 nan 0.000 0.410 910 W N 0.899 122.198 121.300 -0.002 0.000 2.509 910 W HA 0.972 5.627 4.660 -0.009 0.000 0.351 910 W C -0.997 175.500 176.519 -0.037 0.000 1.107 910 W CA -0.518 56.821 57.345 -0.010 0.000 1.264 910 W CB 1.231 30.683 29.460 -0.013 0.000 1.312 910 W HN 1.005 nan 8.180 nan 0.000 0.608 911 A N 2.186 125.200 122.820 0.323 0.000 2.610 911 A HA 0.545 4.860 4.320 -0.009 0.000 0.291 911 A C -1.214 176.570 177.584 0.333 0.000 1.086 911 A CA -1.083 51.041 52.037 0.145 0.000 0.677 911 A CB 1.829 20.802 19.000 -0.045 0.000 1.278 911 A HN 0.465 nan 8.150 nan 0.000 0.414 912 K N 1.046 121.609 120.400 0.271 0.000 2.211 912 K HA 0.608 4.923 4.320 -0.009 0.000 0.275 912 K C 0.094 176.805 176.600 0.185 0.000 1.024 912 K CA -0.123 56.299 56.287 0.225 0.000 0.887 912 K CB 1.519 34.145 32.500 0.209 0.000 1.084 912 K HN 0.898 nan 8.250 nan 0.000 0.463 913 A N 4.446 127.346 122.820 0.132 0.000 2.450 913 A HA 0.299 4.614 4.320 -0.009 0.000 0.255 913 A C 0.147 177.785 177.584 0.091 0.000 1.096 913 A CA -0.187 51.915 52.037 0.110 0.000 0.778 913 A CB -0.247 18.794 19.000 0.068 0.000 1.031 913 A HN 0.722 nan 8.150 nan 0.000 0.494 914 I N 4.365 124.994 120.570 0.099 0.000 2.388 914 I HA 0.196 4.361 4.170 -0.009 0.000 0.281 914 I C -0.442 175.694 176.117 0.033 0.000 1.046 914 I CA -0.147 61.175 61.300 0.037 0.000 1.187 914 I CB 0.708 38.690 38.000 -0.029 0.000 1.351 914 I HN 0.530 nan 8.210 nan 0.000 0.472 915 I N 5.040 125.617 120.570 0.013 0.000 2.533 915 I HA 0.122 4.287 4.170 -0.009 0.000 0.284 915 I C 0.573 176.685 176.117 -0.008 0.000 1.109 915 I CA 0.617 61.918 61.300 0.001 0.000 1.412 915 I CB 0.883 38.877 38.000 -0.009 0.000 1.396 915 I HN 0.477 nan 8.210 nan 0.000 0.543 916 T N 4.977 119.528 114.554 -0.005 0.000 2.933 916 T HA 0.286 4.631 4.350 -0.009 0.000 0.305 916 T C 0.439 175.124 174.700 -0.025 0.000 1.092 916 T CA -0.769 61.323 62.100 -0.014 0.000 1.008 916 T CB 1.464 70.334 68.868 0.002 0.000 1.102 916 T HN 0.618 nan 8.240 nan 0.000 0.469 917 K N 1.867 122.237 120.400 -0.049 0.000 2.525 917 K HA 0.153 4.468 4.320 -0.009 0.000 0.192 917 K C 1.906 178.456 176.600 -0.083 0.000 1.029 917 K CA 0.267 56.513 56.287 -0.069 0.000 1.029 917 K CB 0.189 32.632 32.500 -0.095 0.000 0.814 917 K HN 0.419 nan 8.250 nan 0.000 0.503 918 R N 0.323 120.789 120.500 -0.057 0.000 2.276 918 R HA 0.125 4.459 4.340 -0.009 0.000 0.203 918 R C 0.370 176.693 176.300 0.038 0.000 1.017 918 R CA 0.552 56.639 56.100 -0.023 0.000 1.010 918 R CB 0.114 30.442 30.300 0.048 0.000 0.900 918 R HN 0.100 nan 8.270 nan 0.000 0.469 919 I N 0.660 121.243 120.570 0.021 0.000 2.509 919 I HA 0.281 4.446 4.170 -0.009 0.000 0.293 919 I C -0.543 175.549 176.117 -0.041 0.000 1.020 919 I CA -0.771 60.544 61.300 0.025 0.000 1.088 919 I CB 2.191 40.234 38.000 0.071 0.000 1.267 919 I HN -0.176 nan 8.210 nan 0.000 0.430 920 K N 5.415 125.729 120.400 -0.143 0.000 2.435 920 K HA 0.563 4.878 4.320 -0.009 0.000 0.251 920 K C -2.669 173.724 176.600 -0.345 0.000 0.954 920 K CA -1.694 54.481 56.287 -0.188 0.000 0.820 920 K CB 2.093 34.486 32.500 -0.179 0.000 1.292 920 K HN 0.187 nan 8.250 nan 0.000 0.436 921 P HA 0.036 nan 4.420 nan 0.000 0.270 921 P C -1.072 176.031 177.300 -0.329 0.000 1.223 921 P CA 0.073 63.087 63.100 -0.142 0.000 0.785 921 P CB 0.330 32.005 31.700 -0.043 0.000 0.923 922 F N 0.426 120.371 119.950 -0.008 0.000 2.436 922 F HA 0.533 5.055 4.527 -0.009 0.000 0.340 922 F C 0.626 176.418 175.800 -0.013 0.000 1.113 922 F CA -0.726 57.281 58.000 0.011 0.000 1.022 922 F CB 1.080 40.104 39.000 0.040 0.000 1.128 922 F HN 0.169 nan 8.300 nan 0.000 0.466 923 A N 5.709 128.616 122.820 0.146 0.000 2.252 923 A HA 0.735 5.050 4.320 -0.009 0.000 0.309 923 A C -0.711 176.931 177.584 0.096 0.000 1.285 923 A CA -0.424 51.662 52.037 0.081 0.000 0.900 923 A CB -0.137 18.890 19.000 0.045 0.000 1.157 923 A HN 0.586 nan 8.150 nan 0.000 0.536 924 I N 2.215 122.833 120.570 0.079 0.000 2.500 924 I HA 0.240 4.405 4.170 -0.009 0.000 0.286 924 I C -0.234 175.909 176.117 0.043 0.000 1.063 924 I CA -0.257 61.084 61.300 0.067 0.000 1.062 924 I CB 1.015 39.065 38.000 0.083 0.000 1.223 924 I HN 0.934 nan 8.210 nan 0.000 0.435 925 Q N 3.622 123.437 119.800 0.025 0.000 2.443 925 Q HA -0.209 4.125 4.340 -0.009 0.000 0.337 925 Q C 1.010 177.021 176.000 0.017 0.000 1.401 925 Q CA 0.860 56.671 55.803 0.013 0.000 0.943 925 Q CB -1.349 27.394 28.738 0.008 0.000 1.177 925 Q HN 1.216 nan 8.270 nan 0.000 0.394 926 G N 0.089 108.900 108.800 0.018 0.000 2.305 926 G HA2 -0.346 3.608 3.960 -0.009 0.000 0.287 926 G HA3 -0.346 3.608 3.960 -0.009 0.000 0.287 926 G C -0.213 174.702 174.900 0.025 0.000 1.036 926 G CA 0.815 45.926 45.100 0.019 0.000 0.887 926 G HN 0.545 nan 8.290 nan 0.000 0.505 927 Q N -0.997 118.821 119.800 0.029 0.000 2.315 927 Q HA 0.441 4.776 4.340 -0.009 0.000 0.273 927 Q C -0.848 175.164 176.000 0.020 0.000 1.053 927 Q CA -0.873 54.949 55.803 0.032 0.000 0.817 927 Q CB 1.158 29.922 28.738 0.043 0.000 1.326 927 Q HN 0.188 nan 8.270 nan 0.000 0.423 928 Q N 2.301 122.096 119.800 -0.009 0.000 2.331 928 Q HA 0.335 4.670 4.340 -0.009 0.000 0.257 928 Q C -1.009 174.883 176.000 -0.180 0.000 0.957 928 Q CA -0.225 55.511 55.803 -0.112 0.000 0.923 928 Q CB 1.736 30.378 28.738 -0.159 0.000 1.212 928 Q HN 0.433 nan 8.270 nan 0.000 0.443 929 V N 4.724 124.580 119.914 -0.097 0.000 2.370 929 V HA 0.201 4.316 4.120 -0.009 0.000 0.279 929 V C -0.077 176.017 176.094 0.001 0.000 1.029 929 V CA -0.679 61.633 62.300 0.020 0.000 0.870 929 V CB 0.905 32.821 31.823 0.156 0.000 0.984 929 V HN 0.611 nan 8.190 nan 0.000 0.451 930 H N 5.742 124.980 119.070 0.280 0.000 2.517 930 H HA 0.490 5.040 4.556 -0.009 0.000 0.317 930 H C -0.288 175.180 175.328 0.232 0.000 1.080 930 H CA -0.284 55.891 56.048 0.212 0.000 1.301 930 H CB 1.734 31.559 29.762 0.104 0.000 1.425 930 H HN 0.530 nan 8.280 nan 0.000 0.471 931 M N 4.650 124.452 119.600 0.337 0.000 2.253 931 M HA 0.350 4.824 4.480 -0.009 0.000 0.314 931 M C -0.957 175.452 176.300 0.182 0.000 1.019 931 M CA -1.003 54.455 55.300 0.263 0.000 0.932 931 M CB 1.248 34.051 32.600 0.338 0.000 1.606 931 M HN 0.411 nan 8.290 nan 0.000 0.430 932 V N 1.903 121.885 119.914 0.115 0.000 3.096 932 V HA 1.097 5.212 4.120 -0.009 0.000 0.319 932 V C -0.246 175.927 176.094 0.131 0.000 1.103 932 V CA -0.456 61.903 62.300 0.099 0.000 1.016 932 V CB 1.581 33.426 31.823 0.036 0.000 1.090 932 V HN 0.928 nan 8.190 nan 0.000 0.449 933 G N 1.371 110.287 108.800 0.193 0.000 2.620 933 G HA2 0.778 4.733 3.960 -0.009 0.000 0.301 933 G HA3 0.778 4.733 3.960 -0.009 0.000 0.301 933 G C -1.082 173.779 174.900 -0.066 0.000 1.347 933 G CA -0.635 44.583 45.100 0.197 0.000 0.971 933 G HN 1.510 nan 8.290 nan 0.000 0.488 934 I N -0.750 119.566 120.570 -0.423 0.000 2.865 934 I HA 0.773 4.938 4.170 -0.009 0.000 0.302 934 I C -2.880 172.792 176.117 -0.741 0.000 1.140 934 I CA -3.145 57.833 61.300 -0.537 0.000 1.021 934 I CB 3.147 40.961 38.000 -0.310 0.000 1.233 934 I HN 0.262 nan 8.210 nan 0.000 0.427 935 P HA 0.170 nan 4.420 nan 0.000 0.284 935 P C -0.571 176.540 177.300 -0.316 0.000 1.258 935 P CA -0.143 62.642 63.100 -0.525 0.000 0.824 935 P CB 0.702 32.155 31.700 -0.412 0.000 1.038 936 W N 2.655 123.618 121.300 -0.561 0.000 3.015 936 W HA 0.229 4.884 4.660 -0.009 0.000 0.429 936 W C -0.475 175.812 176.519 -0.386 0.000 0.976 936 W CA -0.182 56.926 57.345 -0.396 0.000 2.086 936 W CB -1.367 27.887 29.460 -0.343 0.000 1.125 936 W HN 0.354 nan 8.180 nan 0.000 0.721 937 H N 0.266 118.949 119.070 -0.645 0.000 2.524 937 H HA 0.161 4.712 4.556 -0.009 0.000 0.280 937 H C -0.868 173.833 175.328 -1.046 0.000 1.018 937 H CA 0.298 55.761 56.048 -0.974 0.000 1.165 937 H CB -0.182 28.924 29.762 -1.094 0.000 1.411 937 H HN 0.099 nan 8.280 nan 0.000 0.569 938 Y N -0.136 119.989 120.300 -0.291 0.000 2.549 938 Y HA 0.593 5.138 4.550 -0.009 0.000 0.339 938 Y C 0.833 176.619 175.900 -0.190 0.000 1.053 938 Y CA -0.918 57.026 58.100 -0.260 0.000 1.105 938 Y CB 2.325 40.609 38.460 -0.293 0.000 1.258 938 Y HN 0.067 nan 8.280 nan 0.000 0.478 939 G N 0.021 108.807 108.800 -0.023 0.000 2.703 939 G HA2 0.192 4.147 3.960 -0.009 0.000 0.294 939 G HA3 0.192 4.147 3.960 -0.009 0.000 0.294 939 G C -0.325 174.530 174.900 -0.075 0.000 1.451 939 G CA -0.879 44.175 45.100 -0.076 0.000 0.869 939 G HN 0.887 nan 8.290 nan 0.000 0.516 940 W N 0.995 122.300 121.300 0.009 0.000 2.421 940 W HA -0.087 4.567 4.660 -0.009 0.000 0.270 940 W C 1.463 178.000 176.519 0.029 0.000 1.233 940 W CA 1.334 58.688 57.345 0.015 0.000 1.226 940 W CB -1.015 28.447 29.460 0.004 0.000 1.121 940 W HN 0.648 nan 8.180 nan 0.000 0.579 941 S N -0.180 115.109 115.700 -0.684 0.000 2.428 941 S HA 0.007 4.472 4.470 -0.009 0.000 0.230 941 S C 0.214 174.801 174.600 -0.023 0.000 1.014 941 S CA 0.526 58.386 58.200 -0.565 0.000 0.957 941 S CB -0.493 62.167 63.200 -0.900 0.000 0.784 941 S HN 0.223 nan 8.310 nan 0.000 0.499 942 F N 1.103 120.946 119.950 -0.179 0.000 2.704 942 F HA 0.493 5.015 4.527 -0.009 0.000 0.312 942 F C -2.887 172.881 175.800 -0.054 0.000 1.108 942 F CA -1.574 56.367 58.000 -0.100 0.000 1.005 942 F CB 1.296 40.200 39.000 -0.160 0.000 1.277 942 F HN -0.150 nan 8.300 nan 0.000 0.445 943 P HA 0.237 nan 4.420 nan 0.000 0.297 943 P C -0.267 176.784 177.300 -0.415 0.000 1.303 943 P CA -0.158 62.180 63.100 -1.270 0.000 0.753 943 P CB 0.839 31.977 31.700 -0.937 0.000 1.281 944 K N -0.423 119.806 120.400 -0.286 0.000 2.097 944 K HA -0.118 4.197 4.320 -0.009 0.000 0.206 944 K C 0.916 177.534 176.600 0.030 0.000 1.049 944 K CA 1.654 57.906 56.287 -0.059 0.000 0.933 944 K CB -0.518 31.962 32.500 -0.034 0.000 0.717 944 K HN 0.142 nan 8.250 nan 0.000 0.442 945 N N 0.080 118.796 118.700 0.026 0.000 2.541 945 N HA 0.187 4.922 4.740 -0.009 0.000 0.297 945 N C 0.373 176.058 175.510 0.292 0.000 1.503 945 N CA -0.189 52.958 53.050 0.161 0.000 0.919 945 N CB 1.064 39.569 38.487 0.030 0.000 1.305 945 N HN 0.319 nan 8.380 nan 0.000 0.501 946 G N -1.030 107.875 108.800 0.175 0.000 2.539 946 G HA2 0.440 4.395 3.960 -0.009 0.000 0.215 946 G HA3 0.440 4.395 3.960 -0.009 0.000 0.215 946 G C 0.697 175.504 174.900 -0.155 0.000 1.141 946 G CA 0.378 45.531 45.100 0.088 0.000 0.806 946 G HN 0.603 nan 8.290 nan 0.000 0.533 947 G N -0.795 107.948 108.800 -0.094 0.000 2.422 947 G HA2 0.147 4.102 3.960 -0.009 0.000 0.607 947 G HA3 0.147 4.102 3.960 -0.009 0.000 0.607 947 G C -1.522 173.247 174.900 -0.219 0.000 1.270 947 G CA 0.017 44.766 45.100 -0.584 0.000 0.992 947 G HN 0.405 nan 8.290 nan 0.000 0.499 948 D N -0.836 119.401 120.400 -0.273 0.000 2.689 948 D HA 0.759 5.394 4.640 -0.009 0.000 0.255 948 D C 0.770 177.038 176.300 -0.052 0.000 1.113 948 D CA 0.491 54.466 54.000 -0.042 0.000 1.115 948 D CB 1.529 42.360 40.800 0.051 0.000 1.334 948 D HN 1.234 nan 8.370 nan 0.000 0.621 949 A N -0.010 122.820 122.820 0.016 0.000 2.488 949 A HA 0.475 4.790 4.320 -0.009 0.000 0.249 949 A C 1.095 178.663 177.584 -0.027 0.000 1.083 949 A CA 0.635 52.679 52.037 0.012 0.000 0.768 949 A CB 0.188 19.221 19.000 0.054 0.000 1.017 949 A HN 0.546 nan 8.150 nan 0.000 0.496 950 A N 2.799 125.607 122.820 -0.020 0.000 2.024 950 A HA -0.161 4.154 4.320 -0.009 0.000 0.220 950 A C 1.692 179.219 177.584 -0.094 0.000 1.164 950 A CA 1.731 53.742 52.037 -0.042 0.000 0.643 950 A CB -0.475 18.523 19.000 -0.003 0.000 0.806 950 A HN 0.824 nan 8.150 nan 0.000 0.451 951 N N -0.117 118.530 118.700 -0.089 0.000 2.609 951 N HA -0.000 4.735 4.740 -0.009 0.000 0.190 951 N C 1.306 176.714 175.510 -0.171 0.000 1.157 951 N CA 0.526 53.473 53.050 -0.172 0.000 0.918 951 N CB -0.340 38.069 38.487 -0.130 0.000 0.978 951 N HN 0.609 nan 8.380 nan 0.000 0.448 952 I N 0.367 120.868 120.570 -0.115 0.000 2.361 952 I HA -0.236 3.929 4.170 -0.009 0.000 0.251 952 I C 1.671 177.696 176.117 -0.152 0.000 1.133 952 I CA 0.986 62.226 61.300 -0.101 0.000 1.413 952 I CB 0.037 38.004 38.000 -0.056 0.000 1.073 952 I HN 0.104 nan 8.210 nan 0.000 0.424 953 L N -0.267 120.833 121.223 -0.205 0.000 2.446 953 L HA 0.039 4.374 4.340 -0.009 0.000 0.219 953 L C 1.216 177.773 176.870 -0.523 0.000 1.116 953 L CA 0.099 54.785 54.840 -0.256 0.000 0.844 953 L CB -0.598 41.400 42.059 -0.102 0.000 0.970 953 L HN 0.294 nan 8.230 nan 0.000 0.457 954 T N -1.616 112.538 114.554 -0.666 0.000 2.909 954 T HA 0.424 4.769 4.350 -0.009 0.000 0.289 954 T C -2.535 171.887 174.700 -0.463 0.000 1.005 954 T CA -1.854 59.750 62.100 -0.827 0.000 1.084 954 T CB 1.502 69.891 68.868 -0.798 0.000 0.975 954 T HN -0.178 nan 8.240 nan 0.000 0.509 955 P HA 0.335 nan 4.420 nan 0.000 0.283 955 P C -0.156 176.996 177.300 -0.247 0.000 1.278 955 P CA -0.720 62.220 63.100 -0.266 0.000 0.834 955 P CB 0.871 32.442 31.700 -0.214 0.000 1.150 956 S N -0.264 115.316 115.700 -0.200 0.000 2.624 956 S HA 0.332 4.796 4.470 -0.009 0.000 0.263 956 S C 0.649 175.134 174.600 -0.193 0.000 1.287 956 S CA -0.678 57.422 58.200 -0.166 0.000 0.990 956 S CB -0.101 63.030 63.200 -0.114 0.000 0.950 956 S HN 0.466 nan 8.310 nan 0.000 0.561 957 V N 0.134 119.950 119.914 -0.164 0.000 2.843 957 V HA 0.624 4.738 4.120 -0.009 0.000 0.305 957 V C 1.298 177.232 176.094 -0.267 0.000 1.065 957 V CA 0.114 62.295 62.300 -0.199 0.000 1.116 957 V CB -0.723 31.041 31.823 -0.098 0.000 0.968 957 V HN 1.962 nan 8.190 nan 0.000 0.487 958 G N 3.836 112.323 108.800 -0.523 0.000 2.594 958 G HA2 -0.364 3.590 3.960 -0.009 0.000 0.297 958 G HA3 -0.364 3.590 3.960 -0.009 0.000 0.297 958 G C 0.669 175.407 174.900 -0.270 0.000 1.273 958 G CA 0.792 45.587 45.100 -0.508 0.000 0.974 958 G HN 0.981 nan 8.290 nan 0.000 0.552 959 N N 1.935 120.570 118.700 -0.109 0.000 2.270 959 N HA 0.042 4.777 4.740 -0.009 0.000 0.181 959 N C -1.484 173.981 175.510 -0.075 0.000 1.016 959 N CA 1.280 54.291 53.050 -0.065 0.000 0.870 959 N CB -1.066 37.410 38.487 -0.018 0.000 0.979 959 N HN 0.353 nan 8.380 nan 0.000 0.431 960 P HA 0.096 nan 4.420 nan 0.000 0.271 960 P C 0.557 177.796 177.300 -0.102 0.000 1.233 960 P CA 0.061 63.122 63.100 -0.066 0.000 0.789 960 P CB 0.650 32.330 31.700 -0.032 0.000 0.951 961 N N -1.246 117.380 118.700 -0.123 0.000 2.322 961 N HA 0.042 4.777 4.740 -0.009 0.000 0.181 961 N C 0.502 175.904 175.510 -0.180 0.000 1.088 961 N CA 0.605 53.553 53.050 -0.171 0.000 0.885 961 N CB 0.346 38.700 38.487 -0.222 0.000 1.013 961 N HN 0.557 nan 8.380 nan 0.000 0.472 962 T N -3.558 110.914 114.554 -0.135 0.000 2.724 962 T HA 0.761 5.106 4.350 -0.009 0.000 0.274 962 T C 0.770 175.461 174.700 -0.014 0.000 0.984 962 T CA -0.099 61.933 62.100 -0.113 0.000 1.024 962 T CB 2.553 71.357 68.868 -0.107 0.000 1.320 962 T HN 0.208 nan 8.240 nan 0.000 0.555 963 G N 0.734 109.550 108.800 0.027 0.000 2.826 963 G HA2 -0.101 3.854 3.960 -0.009 0.000 0.233 963 G HA3 -0.101 3.854 3.960 -0.009 0.000 0.233 963 G C -0.580 174.540 174.900 0.367 0.000 1.296 963 G CA -0.374 44.912 45.100 0.310 0.000 1.001 963 G HN 1.031 nan 8.290 nan 0.000 0.576 964 I N 4.186 124.890 120.570 0.223 0.000 2.396 964 I HA 0.328 4.492 4.170 -0.009 0.000 0.289 964 I C -1.980 174.067 176.117 -0.117 0.000 1.056 964 I CA -1.627 59.650 61.300 -0.038 0.000 1.365 964 I CB 1.458 39.427 38.000 -0.051 0.000 1.407 964 I HN 0.158 nan 8.210 nan 0.000 0.509 965 P HA 0.113 nan 4.420 nan 0.000 0.280 965 P C -0.689 176.465 177.300 -0.244 0.000 1.244 965 P CA -0.441 62.509 63.100 -0.250 0.000 0.784 965 P CB 0.600 32.106 31.700 -0.322 0.000 0.913 966 E N 1.357 121.416 120.200 -0.234 0.000 1.893 966 E HA 0.091 4.436 4.350 -0.009 0.000 0.269 966 E C 0.705 177.174 176.600 -0.217 0.000 1.129 966 E CA -0.047 56.227 56.400 -0.211 0.000 0.904 966 E CB -0.002 29.603 29.700 -0.158 0.000 1.077 966 E HN 0.428 nan 8.360 nan 0.000 0.407 967 T N 1.262 115.651 114.554 -0.276 0.000 3.057 967 T HA 0.076 4.421 4.350 -0.009 0.000 0.254 967 T C 1.251 175.844 174.700 -0.178 0.000 1.094 967 T CA 0.053 62.015 62.100 -0.230 0.000 1.088 967 T CB 0.223 68.873 68.868 -0.364 0.000 0.934 967 T HN 0.144 nan 8.240 nan 0.000 0.497 968 K N 1.552 121.692 120.400 -0.434 0.000 2.356 968 K HA 0.542 4.856 4.320 -0.009 0.000 0.195 968 K C 0.512 176.836 176.600 -0.461 0.000 1.037 968 K CA 0.303 56.286 56.287 -0.508 0.000 1.014 968 K CB 0.705 32.672 32.500 -0.889 0.000 0.815 968 K HN 0.503 nan 8.250 nan 0.000 0.507 969 A N 1.230 123.785 122.820 -0.441 0.000 2.512 969 A HA 0.573 4.888 4.320 -0.009 0.000 0.294 969 A C -1.275 176.291 177.584 -0.031 0.000 1.054 969 A CA -0.902 50.975 52.037 -0.266 0.000 0.756 969 A CB 0.487 19.415 19.000 -0.120 0.000 1.293 969 A HN 0.160 nan 8.150 nan 0.000 0.395 970 F N 0.250 120.168 119.950 -0.052 0.000 2.719 970 F HA 0.825 5.347 4.527 -0.009 0.000 0.309 970 F C -0.994 174.818 175.800 0.020 0.000 1.138 970 F CA -1.508 56.469 58.000 -0.037 0.000 0.943 970 F CB 1.045 39.986 39.000 -0.099 0.000 1.304 970 F HN 0.320 nan 8.300 nan 0.000 0.445 971 M N 3.562 123.276 119.600 0.190 0.000 2.233 971 M HA 0.741 5.215 4.480 -0.009 0.000 0.355 971 M C -0.211 176.197 176.300 0.179 0.000 1.191 971 M CA -0.811 54.574 55.300 0.141 0.000 1.101 971 M CB 1.112 33.800 32.600 0.148 0.000 1.592 971 M HN 0.836 nan 8.290 nan 0.000 0.461 972 V N 0.340 120.383 119.914 0.216 0.000 3.202 972 V HA 0.739 4.853 4.120 -0.009 0.000 0.306 972 V C -1.106 175.176 176.094 0.313 0.000 1.283 972 V CA -1.010 61.468 62.300 0.296 0.000 1.065 972 V CB 2.378 34.351 31.823 0.250 0.000 1.079 972 V HN 0.819 nan 8.190 nan 0.000 0.448 973 N N -0.290 118.612 118.700 0.336 0.000 2.443 973 N HA 0.772 5.507 4.740 -0.009 0.000 0.293 973 N C -1.377 174.331 175.510 0.330 0.000 1.159 973 N CA -0.486 52.702 53.050 0.228 0.000 0.904 973 N CB 1.990 40.528 38.487 0.084 0.000 1.214 973 N HN 0.756 nan 8.380 nan 0.000 0.513 974 V N 1.448 121.617 119.914 0.424 0.000 2.483 974 V HA 0.536 4.650 4.120 -0.009 0.000 0.297 974 V C -0.596 175.622 176.094 0.206 0.000 1.027 974 V CA -0.481 61.977 62.300 0.263 0.000 0.855 974 V CB 1.537 33.458 31.823 0.163 0.000 0.995 974 V HN 0.747 nan 8.190 nan 0.000 0.424 975 T N 4.204 118.842 114.554 0.141 0.000 2.912 975 T HA 0.362 4.707 4.350 -0.009 0.000 0.299 975 T C -0.445 174.303 174.700 0.080 0.000 1.052 975 T CA -0.744 61.419 62.100 0.105 0.000 0.996 975 T CB 1.895 70.818 68.868 0.092 0.000 1.070 975 T HN 0.698 nan 8.240 nan 0.000 0.465 976 K N 2.008 122.444 120.400 0.060 0.000 2.489 976 K HA 0.464 4.779 4.320 -0.009 0.000 0.278 976 K C 0.494 177.120 176.600 0.045 0.000 1.000 976 K CA -0.317 55.998 56.287 0.047 0.000 1.012 976 K CB 0.309 32.827 32.500 0.031 0.000 0.903 976 K HN 0.712 nan 8.250 nan 0.000 0.485 977 A N 0.000 122.846 122.820 0.043 0.000 2.254 977 A HA 0.000 4.315 4.320 -0.009 0.000 0.244 977 A CA 0.000 52.056 52.037 0.032 0.000 0.836 977 A CB 0.000 19.017 19.000 0.029 0.000 0.831 977 A HN 0.000 nan 8.150 nan 0.000 0.486