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 2x8c_1_B DATA FIRST_RESID 6 DATA SEQUENCE GTSQWLRKTV DSAAVILFSK TTCPYCKKVK DVLAEAKIKH ATIELDQLSN DATA SEQUENCE GSAIQKCLAS FSKIETVPQM FVRGKFIGDS QTVLKYYSND ELAGIVNESK DATA SEQUENCE YDYDLIVIGG GSGGLAAGKE AAKYGAKTAV LDYVEPTPIG TTWGLGGTcV DATA SEQUENCE NVGcIPKKLM HQAGLLSHAL EDAEHFGWSL DRSKISHNWS TMVEGVQSHI DATA SEQUENCE GSLNWGYKVA LRDNQVTYLN AKGRLISPHE VQITDKNQKV STITGNKIIL DATA SEQUENCE ATGERPKYPE IPGAVEYGIT SDDLFSLPYF PGKTLVIGAS YVALECAGFL DATA SEQUENCE ASLGGDVTVM VRSILLRGFD QQMAEKVGDY MENHGVKFAK LCVPDEIKQL DATA SEQUENCE KVVDTENNKP GLLLVKGHYT DGKKFEEEFE TVIFAVGREP QLSKVLCETV DATA SEQUENCE GVKLDKNGRV VCTDDEQTTV SNVYAIGDIN AGKPQLTPVA IQAGRYLARR DATA SEQUENCE LFAGATELTD YSNVATTVFT PLEYGACGLS EEDAIEKYGD KDIEVYHSNF DATA SEQUENCE KPLEWTVAHR EDNVCYMKLV CRKSDNMRVL GLHVLGPNAG EITQGYAVAI DATA SEQUENCE KMGATKADFD RTIGIHPTCS ETFTTLHVTK KSGVSPIVSG CCG 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 6 G HA2 0.000 nan 3.960 nan 0.000 0.244 6 G HA3 0.000 3.961 3.960 0.002 0.000 0.244 6 G C 0.000 174.951 174.900 0.084 0.000 0.946 6 G CA 0.000 45.134 45.100 0.057 0.000 0.502 7 T N 2.565 117.144 114.554 0.043 0.000 2.774 7 T HA -0.267 4.084 4.350 0.002 0.000 0.264 7 T C 2.655 177.456 174.700 0.168 0.000 1.037 7 T CA 2.787 64.911 62.100 0.040 0.000 1.152 7 T CB -0.451 68.417 68.868 -0.001 0.000 0.842 7 T HN 0.709 nan 8.240 nan 0.000 0.483 8 S N 1.047 116.833 115.700 0.143 0.000 2.406 8 S HA -0.072 4.399 4.470 0.002 0.000 0.224 8 S C 2.059 176.768 174.600 0.182 0.000 1.030 8 S CA 0.795 59.096 58.200 0.167 0.000 0.958 8 S CB -0.469 62.796 63.200 0.108 0.000 0.811 8 S HN 0.603 nan 8.310 nan 0.000 0.489 9 Q N 0.157 120.051 119.800 0.156 0.000 2.112 9 Q HA -0.239 4.103 4.340 0.002 0.000 0.206 9 Q C 1.857 177.961 176.000 0.174 0.000 0.987 9 Q CA 1.984 57.869 55.803 0.137 0.000 0.858 9 Q CB -0.385 28.421 28.738 0.114 0.000 0.905 9 Q HN 0.785 nan 8.270 nan 0.000 0.420 10 W N 0.909 122.215 121.300 0.009 0.000 2.322 10 W HA -0.299 4.362 4.660 0.002 0.000 0.326 10 W C 1.930 178.441 176.519 -0.013 0.000 1.224 10 W CA 1.640 58.981 57.345 -0.006 0.000 1.257 10 W CB -0.939 28.515 29.460 -0.011 0.000 1.174 10 W HN 0.301 nan 8.180 nan 0.000 0.460 11 L N 1.994 123.271 121.223 0.089 0.000 2.054 11 L HA -0.312 4.029 4.340 0.002 0.000 0.220 11 L C 2.677 179.333 176.870 -0.357 0.000 1.081 11 L CA 2.936 57.599 54.840 -0.295 0.000 0.780 11 L CB -1.440 40.646 42.059 0.045 0.000 0.893 11 L HN 0.226 nan 8.230 nan 0.000 0.438 12 R N -0.074 120.375 120.500 -0.084 0.000 2.103 12 R HA -0.196 4.145 4.340 0.002 0.000 0.242 12 R C 2.223 178.450 176.300 -0.122 0.000 1.142 12 R CA 2.067 58.177 56.100 0.018 0.000 0.960 12 R CB -0.346 30.039 30.300 0.142 0.000 0.858 12 R HN 0.439 nan 8.270 nan 0.000 0.439 13 K N -1.037 119.256 120.400 -0.178 0.000 2.211 13 K HA -0.043 4.278 4.320 0.002 0.000 0.203 13 K C 1.867 178.273 176.600 -0.322 0.000 1.050 13 K CA 1.734 57.901 56.287 -0.199 0.000 0.945 13 K CB 0.070 32.476 32.500 -0.157 0.000 0.732 13 K HN 0.263 nan 8.250 nan 0.000 0.451 14 T N 0.534 114.771 114.554 -0.530 0.000 2.851 14 T HA -0.052 4.299 4.350 0.002 0.000 0.262 14 T C 1.996 176.458 174.700 -0.397 0.000 1.043 14 T CA 0.853 62.616 62.100 -0.561 0.000 1.140 14 T CB -0.006 68.325 68.868 -0.896 0.000 0.872 14 T HN -0.072 nan 8.240 nan 0.000 0.446 15 V N 1.987 121.631 119.914 -0.450 0.000 2.427 15 V HA -0.108 4.013 4.120 0.002 0.000 0.248 15 V C 2.249 178.246 176.094 -0.162 0.000 1.051 15 V CA 1.462 63.508 62.300 -0.423 0.000 1.048 15 V CB -0.410 30.864 31.823 -0.915 0.000 0.666 15 V HN 0.419 nan 8.190 nan 0.000 0.456 16 D N -0.823 119.508 120.400 -0.116 0.000 2.277 16 D HA -0.052 4.590 4.640 0.002 0.000 0.208 16 D C 2.268 178.567 176.300 -0.001 0.000 0.962 16 D CA 1.317 55.320 54.000 0.005 0.000 0.865 16 D CB 0.471 41.295 40.800 0.041 0.000 0.939 16 D HN 0.429 nan 8.370 nan 0.000 0.510 17 S N -0.636 115.015 115.700 -0.082 0.000 2.545 17 S HA 0.239 4.710 4.470 0.002 0.000 0.232 17 S C 0.794 175.340 174.600 -0.091 0.000 1.070 17 S CA -0.098 58.030 58.200 -0.119 0.000 0.923 17 S CB 0.308 63.367 63.200 -0.235 0.000 0.806 17 S HN 0.166 nan 8.310 nan 0.000 0.506 18 A N 1.377 124.156 122.820 -0.068 0.000 2.488 18 A HA 0.671 4.992 4.320 0.002 0.000 0.249 18 A C 1.393 179.094 177.584 0.196 0.000 1.083 18 A CA 0.421 52.499 52.037 0.068 0.000 0.768 18 A CB 0.090 19.067 19.000 -0.038 0.000 1.017 18 A HN 0.591 nan 8.150 nan 0.000 0.496 19 A N 2.752 125.779 122.820 0.345 0.000 1.858 19 A HA 0.221 4.542 4.320 0.002 0.000 0.216 19 A C 0.787 178.468 177.584 0.163 0.000 1.190 19 A CA 1.937 54.116 52.037 0.238 0.000 0.617 19 A CB -0.269 18.838 19.000 0.178 0.000 0.827 19 A HN 1.211 nan 8.150 nan 0.000 0.443 20 V N -0.132 119.876 119.914 0.157 0.000 2.509 20 V HA 0.504 4.625 4.120 0.002 0.000 0.289 20 V C -0.879 175.297 176.094 0.136 0.000 1.026 20 V CA -0.157 62.226 62.300 0.139 0.000 0.872 20 V CB 1.186 33.086 31.823 0.128 0.000 1.017 20 V HN 0.436 nan 8.190 nan 0.000 0.436 21 I N 4.648 125.276 120.570 0.096 0.000 2.608 21 I HA 0.711 4.882 4.170 0.002 0.000 0.295 21 I C -1.433 174.666 176.117 -0.031 0.000 1.049 21 I CA -1.034 60.248 61.300 -0.030 0.000 1.063 21 I CB 2.254 40.109 38.000 -0.243 0.000 1.248 21 I HN 0.591 nan 8.210 nan 0.000 0.424 22 L N 7.082 128.237 121.223 -0.114 0.000 2.362 22 L HA 0.595 4.936 4.340 0.002 0.000 0.275 22 L C -1.569 175.189 176.870 -0.186 0.000 0.998 22 L CA -0.014 54.802 54.840 -0.040 0.000 0.820 22 L CB 1.438 43.478 42.059 -0.031 0.000 1.270 22 L HN 0.371 nan 8.230 nan 0.000 0.415 23 F N 3.252 123.305 119.950 0.171 0.000 2.399 23 F HA 0.744 5.272 4.527 0.002 0.000 0.334 23 F C 0.690 176.569 175.800 0.131 0.000 1.097 23 F CA 0.019 58.102 58.000 0.139 0.000 1.076 23 F CB 1.912 40.998 39.000 0.143 0.000 1.162 23 F HN 0.524 nan 8.300 nan 0.000 0.495 24 S N 2.004 117.864 115.700 0.267 0.000 2.615 24 S HA 0.632 5.104 4.470 0.002 0.000 0.269 24 S C -1.537 173.149 174.600 0.143 0.000 1.161 24 S CA -0.904 57.401 58.200 0.174 0.000 0.817 24 S CB 1.537 64.813 63.200 0.127 0.000 1.131 24 S HN 0.578 nan 8.310 nan 0.000 0.467 25 K N 0.860 121.326 120.400 0.111 0.000 2.422 25 K HA 0.351 4.672 4.320 0.002 0.000 0.251 25 K C 0.678 177.318 176.600 0.067 0.000 0.933 25 K CA -0.421 55.916 56.287 0.084 0.000 0.798 25 K CB 1.702 34.248 32.500 0.077 0.000 1.238 25 K HN 0.777 nan 8.250 nan 0.000 0.428 26 T N -2.874 111.711 114.554 0.051 0.000 2.995 26 T HA -0.132 4.219 4.350 0.002 0.000 0.269 26 T C 1.585 176.304 174.700 0.031 0.000 1.091 26 T CA 1.758 63.882 62.100 0.039 0.000 1.128 26 T CB -0.286 68.599 68.868 0.028 0.000 0.891 26 T HN 0.701 nan 8.240 nan 0.000 0.492 27 T N -1.006 113.567 114.554 0.032 0.000 3.009 27 T HA 0.124 4.475 4.350 0.002 0.000 0.258 27 T C 1.324 176.040 174.700 0.026 0.000 1.063 27 T CA 0.108 62.223 62.100 0.024 0.000 1.139 27 T CB -1.164 67.717 68.868 0.021 0.000 0.890 27 T HN 0.502 nan 8.240 nan 0.000 0.471 28 C N 4.584 123.909 119.300 0.043 0.000 2.663 28 C HA 0.295 4.756 4.460 0.002 0.000 0.398 28 C C -0.812 174.202 174.990 0.041 0.000 1.356 28 C CA -1.719 57.331 59.018 0.054 0.000 1.629 28 C CB 0.147 27.939 27.740 0.086 0.000 2.402 28 C HN 0.332 nan 8.230 nan 0.000 0.598 29 P HA -0.117 nan 4.420 nan 0.000 0.215 29 P C 0.876 178.133 177.300 -0.071 0.000 1.153 29 P CA 1.583 64.638 63.100 -0.074 0.000 0.853 29 P CB -0.110 31.492 31.700 -0.164 0.000 0.788 30 Y N -1.234 119.079 120.300 0.022 0.000 2.497 30 Y HA -0.134 4.417 4.550 0.002 0.000 0.292 30 Y C 2.454 178.367 175.900 0.022 0.000 1.137 30 Y CA 0.126 58.238 58.100 0.021 0.000 1.285 30 Y CB -1.221 37.255 38.460 0.027 0.000 0.991 30 Y HN 0.031 nan 8.280 nan 0.000 0.556 31 C N -0.505 118.896 119.300 0.169 0.000 2.489 31 C HA -0.140 4.321 4.460 0.002 0.000 0.279 31 C C 2.783 177.818 174.990 0.075 0.000 1.266 31 C CA 1.002 60.089 59.018 0.115 0.000 1.707 31 C CB -0.812 26.991 27.740 0.105 0.000 2.059 31 C HN 0.497 nan 8.230 nan 0.000 0.481 32 K N 1.168 121.599 120.400 0.051 0.000 2.074 32 K HA -0.229 4.092 4.320 0.002 0.000 0.209 32 K C 2.073 178.683 176.600 0.016 0.000 1.048 32 K CA 1.601 57.903 56.287 0.025 0.000 0.926 32 K CB -0.195 32.306 32.500 0.002 0.000 0.713 32 K HN 0.439 nan 8.250 nan 0.000 0.444 33 K N 0.207 120.622 120.400 0.025 0.000 2.002 33 K HA -0.121 4.200 4.320 0.002 0.000 0.209 33 K C 2.107 178.712 176.600 0.009 0.000 1.048 33 K CA 1.605 57.910 56.287 0.029 0.000 0.930 33 K CB -0.185 32.369 32.500 0.090 0.000 0.714 33 K HN 0.029 nan 8.250 nan 0.000 0.438 34 V N 1.871 121.808 119.914 0.039 0.000 2.343 34 V HA -0.268 3.853 4.120 0.002 0.000 0.247 34 V C 2.195 178.245 176.094 -0.073 0.000 1.051 34 V CA 1.694 63.980 62.300 -0.023 0.000 1.036 34 V CB -0.379 31.448 31.823 0.006 0.000 0.654 34 V HN 0.325 nan 8.190 nan 0.000 0.451 35 K N -0.270 120.116 120.400 -0.024 0.000 1.991 35 K HA -0.218 4.103 4.320 0.002 0.000 0.212 35 K C 2.012 178.615 176.600 0.006 0.000 1.049 35 K CA 1.943 58.238 56.287 0.013 0.000 0.932 35 K CB -0.380 32.160 32.500 0.067 0.000 0.717 35 K HN 0.449 nan 8.250 nan 0.000 0.441 36 D N 0.400 120.789 120.400 -0.019 0.000 2.123 36 D HA -0.151 4.490 4.640 0.002 0.000 0.196 36 D C 1.986 178.220 176.300 -0.109 0.000 0.992 36 D CA 0.976 54.953 54.000 -0.039 0.000 0.833 36 D CB -0.284 40.496 40.800 -0.033 0.000 0.954 36 D HN -0.050 nan 8.370 nan 0.000 0.455 37 V N 1.117 120.907 119.914 -0.208 0.000 2.287 37 V HA -0.223 3.898 4.120 0.002 0.000 0.248 37 V C 2.631 178.488 176.094 -0.395 0.000 1.053 37 V CA 1.188 63.192 62.300 -0.494 0.000 1.027 37 V CB -0.379 31.073 31.823 -0.619 0.000 0.646 37 V HN 0.204 nan 8.190 nan 0.000 0.447 38 L N -0.318 120.784 121.223 -0.202 0.000 2.201 38 L HA -0.112 4.229 4.340 0.002 0.000 0.212 38 L C 2.555 179.441 176.870 0.026 0.000 1.105 38 L CA 1.256 56.049 54.840 -0.079 0.000 0.775 38 L CB -0.620 41.370 42.059 -0.116 0.000 0.913 38 L HN 0.368 nan 8.230 nan 0.000 0.440 39 A N -0.849 121.985 122.820 0.023 0.000 1.930 39 A HA -0.150 4.171 4.320 0.002 0.000 0.215 39 A C 2.314 179.912 177.584 0.023 0.000 1.176 39 A CA 1.018 53.077 52.037 0.036 0.000 0.632 39 A CB -0.250 18.766 19.000 0.028 0.000 0.819 39 A HN 0.282 nan 8.150 nan 0.000 0.445 40 E N 0.268 120.471 120.200 0.005 0.000 2.107 40 E HA -0.035 4.316 4.350 0.002 0.000 0.191 40 E C 1.844 178.512 176.600 0.113 0.000 0.982 40 E CA 1.002 57.433 56.400 0.051 0.000 0.809 40 E CB -0.139 29.596 29.700 0.057 0.000 0.756 40 E HN 0.459 nan 8.360 nan 0.000 0.459 41 A N 0.714 123.614 122.820 0.133 0.000 2.259 41 A HA 0.020 4.341 4.320 0.002 0.000 0.208 41 A C 0.597 178.243 177.584 0.103 0.000 1.201 41 A CA 0.188 52.340 52.037 0.192 0.000 0.824 41 A CB -0.047 19.127 19.000 0.291 0.000 0.838 41 A HN 0.141 nan 8.150 nan 0.000 0.485 42 K N -0.735 119.707 120.400 0.071 0.000 3.230 42 K HA -0.139 4.182 4.320 0.002 0.000 0.285 42 K C -0.401 176.227 176.600 0.047 0.000 1.196 42 K CA 0.685 57.000 56.287 0.046 0.000 0.838 42 K CB -1.832 30.691 32.500 0.037 0.000 1.262 42 K HN 0.480 nan 8.250 nan 0.000 0.492 43 I N 1.533 122.144 120.570 0.069 0.000 2.342 43 I HA 0.160 4.331 4.170 0.002 0.000 0.291 43 I C 0.870 177.066 176.117 0.133 0.000 1.010 43 I CA -0.075 61.277 61.300 0.088 0.000 1.308 43 I CB 0.956 39.007 38.000 0.086 0.000 1.400 43 I HN -0.082 nan 8.210 nan 0.000 0.488 44 K N 6.087 126.534 120.400 0.080 0.000 2.156 44 K HA 0.519 4.840 4.320 0.002 0.000 0.271 44 K C -0.755 175.905 176.600 0.101 0.000 0.995 44 K CA -0.509 55.787 56.287 0.015 0.000 0.890 44 K CB 1.323 33.789 32.500 -0.056 0.000 1.073 44 K HN 0.736 nan 8.250 nan 0.000 0.454 45 H N -1.112 117.962 119.070 0.008 0.000 3.046 45 H HA 0.565 5.123 4.556 0.002 0.000 0.361 45 H C -1.404 173.996 175.328 0.120 0.000 1.235 45 H CA -1.157 54.924 56.048 0.055 0.000 1.146 45 H CB 1.013 30.794 29.762 0.030 0.000 1.859 45 H HN 0.571 nan 8.280 nan 0.000 0.548 46 A N 1.391 124.361 122.820 0.250 0.000 2.304 46 A HA 0.639 4.961 4.320 0.002 0.000 0.271 46 A C -0.331 177.348 177.584 0.158 0.000 1.091 46 A CA 0.110 52.291 52.037 0.239 0.000 0.812 46 A CB 0.184 19.236 19.000 0.086 0.000 1.056 46 A HN 0.836 nan 8.150 nan 0.000 0.489 47 T N 1.064 115.673 114.554 0.092 0.000 2.893 47 T HA 0.579 4.930 4.350 0.002 0.000 0.293 47 T C -0.680 174.015 174.700 -0.009 0.000 1.027 47 T CA -0.359 61.775 62.100 0.057 0.000 0.988 47 T CB 1.193 70.134 68.868 0.121 0.000 1.043 47 T HN 0.382 nan 8.240 nan 0.000 0.461 48 I N 2.863 123.402 120.570 -0.051 0.000 2.420 48 I HA 0.240 4.411 4.170 0.002 0.000 0.282 48 I C -0.101 176.072 176.117 0.092 0.000 1.019 48 I CA -0.713 60.602 61.300 0.024 0.000 1.130 48 I CB 1.504 39.532 38.000 0.047 0.000 1.262 48 I HN 0.673 nan 8.210 nan 0.000 0.454 49 E N 7.016 127.263 120.200 0.078 0.000 2.003 49 E HA 0.179 4.530 4.350 0.002 0.000 0.279 49 E C 1.059 177.708 176.600 0.082 0.000 1.132 49 E CA -0.254 56.195 56.400 0.082 0.000 0.888 49 E CB 1.623 31.356 29.700 0.056 0.000 1.056 49 E HN 0.539 nan 8.360 nan 0.000 0.399 50 L N 2.055 123.344 121.223 0.110 0.000 2.141 50 L HA -0.200 4.141 4.340 0.002 0.000 0.209 50 L C 1.985 178.886 176.870 0.052 0.000 1.094 50 L CA 1.182 56.080 54.840 0.095 0.000 0.763 50 L CB -0.356 41.776 42.059 0.121 0.000 0.908 50 L HN 0.443 nan 8.230 nan 0.000 0.437 51 D N -0.161 120.269 120.400 0.050 0.000 2.351 51 D HA -0.244 4.397 4.640 0.002 0.000 0.216 51 D C 1.353 177.663 176.300 0.017 0.000 0.968 51 D CA 0.965 54.985 54.000 0.032 0.000 0.899 51 D CB -0.029 40.791 40.800 0.034 0.000 0.907 51 D HN 0.438 nan 8.370 nan 0.000 0.514 52 Q N -0.386 119.423 119.800 0.015 0.000 2.141 52 Q HA 0.292 4.633 4.340 0.002 0.000 0.248 52 Q C -0.736 175.254 176.000 -0.018 0.000 0.834 52 Q CA -0.287 55.515 55.803 -0.001 0.000 1.096 52 Q CB 1.088 29.827 28.738 0.001 0.000 1.189 52 Q HN 0.131 nan 8.270 nan 0.000 0.471 53 L N 0.868 122.078 121.223 -0.022 0.000 2.333 53 L HA 0.271 4.612 4.340 0.002 0.000 0.280 53 L C 1.337 178.173 176.870 -0.056 0.000 1.004 53 L CA 0.027 54.832 54.840 -0.057 0.000 0.820 53 L CB 1.809 43.826 42.059 -0.069 0.000 1.247 53 L HN 0.262 nan 8.230 nan 0.000 0.416 54 S N 2.118 117.776 115.700 -0.070 0.000 2.419 54 S HA -0.164 4.307 4.470 0.002 0.000 0.235 54 S C 0.936 175.502 174.600 -0.057 0.000 1.019 54 S CA 1.217 59.382 58.200 -0.058 0.000 0.982 54 S CB -0.419 62.744 63.200 -0.061 0.000 0.789 54 S HN 0.804 nan 8.310 nan 0.000 0.490 55 N N 1.555 120.206 118.700 -0.081 0.000 2.455 55 N HA 0.289 5.031 4.740 0.002 0.000 0.258 55 N C 1.063 176.547 175.510 -0.043 0.000 1.158 55 N CA 0.236 53.244 53.050 -0.070 0.000 0.893 55 N CB -0.539 37.885 38.487 -0.105 0.000 1.173 55 N HN 0.351 nan 8.380 nan 0.000 0.503 56 G N 0.711 109.497 108.800 -0.025 0.000 2.480 56 G HA2 -0.258 3.704 3.960 0.002 0.000 0.216 56 G HA3 -0.258 3.704 3.960 0.002 0.000 0.216 56 G C 1.421 176.332 174.900 0.019 0.000 1.200 56 G CA 0.669 45.772 45.100 0.005 0.000 0.782 56 G HN 0.423 nan 8.290 nan 0.000 0.554 57 S N 0.731 116.438 115.700 0.012 0.000 2.469 57 S HA 0.076 4.547 4.470 0.002 0.000 0.238 57 S C 2.584 177.192 174.600 0.014 0.000 0.998 57 S CA 1.056 59.265 58.200 0.015 0.000 0.957 57 S CB -0.200 63.006 63.200 0.010 0.000 0.764 57 S HN 0.602 nan 8.310 nan 0.000 0.514 58 A N 1.272 124.098 122.820 0.010 0.000 1.898 58 A HA 0.071 4.392 4.320 0.002 0.000 0.214 58 A C 1.943 179.544 177.584 0.029 0.000 1.183 58 A CA 0.861 52.907 52.037 0.014 0.000 0.622 58 A CB -0.480 18.524 19.000 0.006 0.000 0.824 58 A HN 0.507 nan 8.150 nan 0.000 0.444 59 I N -0.763 119.831 120.570 0.040 0.000 2.315 59 I HA -0.246 3.926 4.170 0.002 0.000 0.248 59 I C 2.721 178.848 176.117 0.017 0.000 1.117 59 I CA 1.502 62.843 61.300 0.069 0.000 1.404 59 I CB -0.333 37.750 38.000 0.137 0.000 1.071 59 I HN 0.450 nan 8.210 nan 0.000 0.419 60 Q N 1.402 121.213 119.800 0.019 0.000 2.020 60 Q HA -0.206 4.135 4.340 0.002 0.000 0.202 60 Q C 2.197 178.192 176.000 -0.008 0.000 0.982 60 Q CA 1.568 57.373 55.803 0.003 0.000 0.838 60 Q CB 0.108 28.864 28.738 0.029 0.000 0.899 60 Q HN 0.368 nan 8.270 nan 0.000 0.423 61 K N -0.528 119.874 120.400 0.004 0.000 2.147 61 K HA -0.140 4.181 4.320 0.002 0.000 0.205 61 K C 2.054 178.655 176.600 0.002 0.000 1.049 61 K CA 1.007 57.295 56.287 0.002 0.000 0.936 61 K CB -0.204 32.300 32.500 0.005 0.000 0.722 61 K HN 0.282 nan 8.250 nan 0.000 0.446 62 C N 0.965 120.271 119.300 0.011 0.000 2.562 62 C HA 0.140 4.601 4.460 0.002 0.000 0.266 62 C C 2.218 177.235 174.990 0.045 0.000 1.382 62 C CA -0.112 58.925 59.018 0.032 0.000 1.742 62 C CB -1.042 26.731 27.740 0.056 0.000 1.812 62 C HN 0.388 nan 8.230 nan 0.000 0.559 63 L N 0.646 121.862 121.223 -0.012 0.000 2.201 63 L HA -0.050 4.291 4.340 0.002 0.000 0.212 63 L C 2.785 179.689 176.870 0.056 0.000 1.105 63 L CA 1.232 56.053 54.840 -0.032 0.000 0.775 63 L CB -0.487 41.473 42.059 -0.164 0.000 0.913 63 L HN 0.375 nan 8.230 nan 0.000 0.440 64 A N -0.719 122.101 122.820 -0.000 0.000 2.076 64 A HA -0.183 4.138 4.320 0.002 0.000 0.220 64 A C 2.348 179.902 177.584 -0.050 0.000 1.160 64 A CA 1.852 53.866 52.037 -0.039 0.000 0.653 64 A CB -0.417 18.558 19.000 -0.042 0.000 0.801 64 A HN 0.409 nan 8.150 nan 0.000 0.455 65 S N -1.523 114.152 115.700 -0.042 0.000 2.555 65 S HA 0.092 4.563 4.470 0.002 0.000 0.230 65 S C 1.001 175.383 174.600 -0.363 0.000 0.978 65 S CA 0.845 58.923 58.200 -0.204 0.000 0.934 65 S CB -0.327 62.706 63.200 -0.278 0.000 0.766 65 S HN 0.637 nan 8.310 nan 0.000 0.533 66 F N 0.564 120.498 119.950 -0.026 0.000 2.619 66 F HA 0.151 4.679 4.527 0.002 0.000 0.281 66 F C 2.408 178.162 175.800 -0.077 0.000 1.065 66 F CA 0.511 58.546 58.000 0.058 0.000 1.304 66 F CB -0.014 39.132 39.000 0.244 0.000 1.059 66 F HN 0.178 nan 8.300 nan 0.000 0.648 67 S N -1.078 114.550 115.700 -0.119 0.000 2.514 67 S HA 0.196 4.667 4.470 0.002 0.000 0.223 67 S C 0.992 175.319 174.600 -0.455 0.000 1.046 67 S CA 0.202 57.941 58.200 -0.769 0.000 0.914 67 S CB 0.253 62.630 63.200 -1.373 0.000 0.807 67 S HN 0.275 nan 8.310 nan 0.000 0.497 68 K N 0.224 120.487 120.400 -0.228 0.000 3.548 68 K HA -0.144 4.178 4.320 0.002 0.000 0.296 68 K C -0.058 176.469 176.600 -0.121 0.000 1.324 68 K CA 1.218 57.422 56.287 -0.140 0.000 0.976 68 K CB -2.195 30.240 32.500 -0.108 0.000 1.294 68 K HN 0.762 nan 8.250 nan 0.000 0.464 69 I N -2.569 117.904 120.570 -0.162 0.000 2.910 69 I HA 0.353 4.524 4.170 0.002 0.000 0.310 69 I C 0.575 176.655 176.117 -0.062 0.000 1.043 69 I CA -0.770 60.474 61.300 -0.093 0.000 1.053 69 I CB 1.853 39.810 38.000 -0.071 0.000 1.242 69 I HN -0.042 nan 8.210 nan 0.000 0.452 70 E N 0.824 121.010 120.200 -0.022 0.000 2.526 70 E HA 0.069 4.420 4.350 0.002 0.000 0.208 70 E C 0.271 176.886 176.600 0.025 0.000 0.997 70 E CA 0.008 56.406 56.400 -0.003 0.000 0.961 70 E CB 0.775 30.475 29.700 0.000 0.000 1.030 70 E HN 0.865 nan 8.360 nan 0.000 0.483 71 T N -0.440 114.136 114.554 0.036 0.000 2.766 71 T HA 0.326 4.677 4.350 0.002 0.000 0.295 71 T C 0.349 175.109 174.700 0.101 0.000 1.024 71 T CA -0.740 61.397 62.100 0.063 0.000 1.018 71 T CB 1.370 70.272 68.868 0.057 0.000 1.002 71 T HN -0.081 nan 8.240 nan 0.000 0.532 72 V N -0.649 119.334 119.914 0.115 0.000 2.604 72 V HA 0.802 4.923 4.120 0.002 0.000 0.305 72 V C -2.639 173.541 176.094 0.145 0.000 1.043 72 V CA -2.414 59.977 62.300 0.152 0.000 0.888 72 V CB 1.262 33.177 31.823 0.154 0.000 0.995 72 V HN 0.962 nan 8.190 nan 0.000 0.429 73 P HA 0.546 nan 4.420 nan 0.000 0.280 73 P C -1.391 176.060 177.300 0.252 0.000 1.272 73 P CA -0.611 62.608 63.100 0.197 0.000 0.819 73 P CB 1.271 33.060 31.700 0.149 0.000 1.122 74 Q N 0.202 120.228 119.800 0.377 0.000 2.295 74 Q HA 0.452 4.793 4.340 0.002 0.000 0.259 74 Q C -0.900 175.452 176.000 0.586 0.000 0.966 74 Q CA -0.283 55.849 55.803 0.549 0.000 0.763 74 Q CB 2.301 31.461 28.738 0.703 0.000 1.283 74 Q HN 0.431 nan 8.270 nan 0.000 0.445 75 M N 2.930 122.654 119.600 0.207 0.000 2.209 75 M HA 0.541 5.022 4.480 0.002 0.000 0.355 75 M C -1.674 174.598 176.300 -0.047 0.000 1.171 75 M CA -0.310 55.063 55.300 0.120 0.000 1.069 75 M CB 0.648 33.215 32.600 -0.054 0.000 1.622 75 M HN 0.471 nan 8.290 nan 0.000 0.459 76 F N 3.776 123.785 119.950 0.097 0.000 2.507 76 F HA 0.588 5.116 4.527 0.002 0.000 0.325 76 F C -0.675 175.153 175.800 0.048 0.000 1.116 76 F CA -0.792 57.276 58.000 0.114 0.000 0.930 76 F CB 1.926 41.055 39.000 0.214 0.000 1.146 76 F HN 0.162 nan 8.300 nan 0.000 0.447 77 V N 3.824 123.837 119.914 0.164 0.000 2.407 77 V HA 0.420 4.541 4.120 0.002 0.000 0.291 77 V C 0.216 176.395 176.094 0.142 0.000 1.018 77 V CA -1.201 61.169 62.300 0.117 0.000 0.842 77 V CB 1.455 33.296 31.823 0.029 0.000 0.996 77 V HN 0.743 nan 8.190 nan 0.000 0.426 78 R N 3.609 124.203 120.500 0.155 0.000 3.610 78 R HA -0.254 4.087 4.340 0.002 0.000 0.274 78 R C 1.287 177.688 176.300 0.169 0.000 1.123 78 R CA 0.884 57.078 56.100 0.158 0.000 0.747 78 R CB -1.448 28.935 30.300 0.140 0.000 1.149 78 R HN 1.524 nan 8.270 nan 0.000 0.471 79 G N -0.498 108.430 108.800 0.214 0.000 2.217 79 G HA2 -0.376 3.585 3.960 0.002 0.000 0.246 79 G HA3 -0.376 3.585 3.960 0.002 0.000 0.246 79 G C 0.059 175.159 174.900 0.332 0.000 0.990 79 G CA 0.399 45.653 45.100 0.256 0.000 0.627 79 G HN 0.355 nan 8.290 nan 0.000 0.522 80 K N 0.603 121.152 120.400 0.248 0.000 2.248 80 K HA 0.520 4.841 4.320 0.002 0.000 0.281 80 K C -0.172 176.509 176.600 0.135 0.000 1.054 80 K CA -0.990 55.410 56.287 0.187 0.000 0.903 80 K CB 0.189 32.743 32.500 0.090 0.000 1.077 80 K HN 0.147 nan 8.250 nan 0.000 0.474 81 F N 6.485 126.378 119.950 -0.095 0.000 2.504 81 F HA 0.096 4.624 4.527 0.002 0.000 0.369 81 F C 0.872 176.496 175.800 -0.292 0.000 1.082 81 F CA -0.094 57.557 58.000 -0.581 0.000 1.216 81 F CB 0.493 39.108 39.000 -0.642 0.000 1.108 81 F HN 0.605 nan 8.300 nan 0.000 0.554 82 I N 2.850 122.792 120.570 -1.046 0.000 4.070 82 I HA 0.680 4.851 4.170 0.002 0.000 0.328 82 I C 0.512 176.189 176.117 -0.733 0.000 1.298 82 I CA 0.397 61.304 61.300 -0.654 0.000 1.173 82 I CB 0.117 37.919 38.000 -0.331 0.000 1.051 82 I HN 0.755 nan 8.210 nan 0.000 0.409 83 G N 1.392 109.332 108.800 -1.435 0.000 2.353 83 G HA2 0.152 4.113 3.960 0.002 0.000 0.308 83 G HA3 0.152 4.113 3.960 0.002 0.000 0.308 83 G C -1.810 172.913 174.900 -0.295 0.000 1.418 83 G CA -0.326 44.330 45.100 -0.741 0.000 0.966 83 G HN 0.500 nan 8.290 nan 0.000 0.638 84 D N -0.960 119.460 120.400 0.033 0.000 2.478 84 D HA 0.537 5.179 4.640 0.002 0.000 0.269 84 D C 2.008 178.307 176.300 -0.002 0.000 1.232 84 D CA 0.503 54.559 54.000 0.093 0.000 1.059 84 D CB 0.686 41.550 40.800 0.106 0.000 1.104 84 D HN 0.784 nan 8.370 nan 0.000 0.566 85 S N -1.131 114.555 115.700 -0.024 0.000 2.359 85 S HA -0.390 4.081 4.470 0.002 0.000 0.222 85 S C 1.895 176.427 174.600 -0.113 0.000 1.038 85 S CA 1.492 59.645 58.200 -0.077 0.000 1.051 85 S CB -0.944 62.156 63.200 -0.166 0.000 0.944 85 S HN 0.658 nan 8.310 nan 0.000 0.433 86 Q N 1.089 120.789 119.800 -0.165 0.000 2.112 86 Q HA -0.162 4.179 4.340 0.002 0.000 0.206 86 Q C 2.128 178.065 176.000 -0.104 0.000 0.987 86 Q CA 2.205 57.922 55.803 -0.143 0.000 0.858 86 Q CB -0.663 27.989 28.738 -0.144 0.000 0.905 86 Q HN 0.760 nan 8.270 nan 0.000 0.420 87 T N 0.088 114.582 114.554 -0.099 0.000 2.737 87 T HA -0.092 4.259 4.350 0.002 0.000 0.265 87 T C 1.904 176.549 174.700 -0.092 0.000 1.038 87 T CA 1.392 63.407 62.100 -0.141 0.000 1.144 87 T CB -0.250 68.549 68.868 -0.114 0.000 0.866 87 T HN 0.101 nan 8.240 nan 0.000 0.434 88 V N 0.977 120.890 119.914 -0.002 0.000 2.548 88 V HA -0.031 4.090 4.120 0.002 0.000 0.249 88 V C 2.389 178.550 176.094 0.111 0.000 1.055 88 V CA 1.048 63.402 62.300 0.089 0.000 1.065 88 V CB -0.581 31.254 31.823 0.020 0.000 0.681 88 V HN 0.283 nan 8.190 nan 0.000 0.462 89 L N 0.126 121.383 121.223 0.056 0.000 2.056 89 L HA -0.122 4.220 4.340 0.002 0.000 0.207 89 L C 2.510 179.449 176.870 0.116 0.000 1.078 89 L CA 1.780 56.687 54.840 0.111 0.000 0.749 89 L CB -0.750 41.349 42.059 0.067 0.000 0.901 89 L HN 0.221 nan 8.230 nan 0.000 0.433 90 K N -0.907 119.494 120.400 0.002 0.000 2.063 90 K HA -0.243 4.078 4.320 0.002 0.000 0.208 90 K C 2.188 178.762 176.600 -0.043 0.000 1.048 90 K CA 1.783 58.025 56.287 -0.074 0.000 0.928 90 K CB -0.320 32.059 32.500 -0.202 0.000 0.713 90 K HN 0.248 nan 8.250 nan 0.000 0.442 91 Y N -0.316 119.998 120.300 0.023 0.000 2.373 91 Y HA -0.171 4.380 4.550 0.002 0.000 0.293 91 Y C 2.164 178.101 175.900 0.061 0.000 1.129 91 Y CA 0.980 59.093 58.100 0.021 0.000 1.226 91 Y CB -0.587 37.873 38.460 0.001 0.000 1.000 91 Y HN 0.231 nan 8.280 nan 0.000 0.549 92 Y N 0.202 120.577 120.300 0.125 0.000 2.243 92 Y HA -0.112 4.439 4.550 0.002 0.000 0.293 92 Y C 2.422 178.352 175.900 0.051 0.000 1.124 92 Y CA 1.395 59.538 58.100 0.072 0.000 1.159 92 Y CB -0.481 38.010 38.460 0.050 0.000 1.008 92 Y HN 0.052 nan 8.280 nan 0.000 0.527 93 S N -0.793 114.795 115.700 -0.187 0.000 2.470 93 S HA -0.052 4.420 4.470 0.002 0.000 0.225 93 S C 1.193 175.701 174.600 -0.153 0.000 1.006 93 S CA 0.771 58.801 58.200 -0.283 0.000 0.934 93 S CB -0.721 62.408 63.200 -0.119 0.000 0.778 93 S HN 0.617 nan 8.310 nan 0.000 0.517 94 N N 1.787 120.450 118.700 -0.062 0.000 2.449 94 N HA 0.071 4.812 4.740 0.002 0.000 0.191 94 N C -0.544 174.955 175.510 -0.018 0.000 1.161 94 N CA 0.358 53.395 53.050 -0.023 0.000 0.863 94 N CB -0.066 38.433 38.487 0.020 0.000 0.980 94 N HN 0.219 nan 8.380 nan 0.000 0.458 95 D N 0.383 120.746 120.400 -0.062 0.000 3.067 95 D HA -0.216 4.425 4.640 0.002 0.000 0.216 95 D C 0.279 176.580 176.300 0.002 0.000 1.162 95 D CA 1.081 55.049 54.000 -0.053 0.000 0.960 95 D CB -0.891 39.869 40.800 -0.066 0.000 1.129 95 D HN 0.606 nan 8.370 nan 0.000 0.408 96 E N -0.249 119.978 120.200 0.046 0.000 2.478 96 E HA -0.085 4.266 4.350 0.002 0.000 0.198 96 E C 2.029 178.591 176.600 -0.062 0.000 1.046 96 E CA 0.019 56.431 56.400 0.020 0.000 0.870 96 E CB 0.149 29.914 29.700 0.107 0.000 0.818 96 E HN 0.224 nan 8.360 nan 0.000 0.527 97 L N 1.257 122.473 121.223 -0.011 0.000 1.994 97 L HA -0.112 4.229 4.340 0.002 0.000 0.208 97 L C 2.280 179.121 176.870 -0.048 0.000 1.071 97 L CA 1.981 56.798 54.840 -0.038 0.000 0.745 97 L CB -0.822 41.290 42.059 0.088 0.000 0.892 97 L HN 0.094 nan 8.230 nan 0.000 0.431 98 A N -1.032 121.784 122.820 -0.007 0.000 2.076 98 A HA -0.084 4.237 4.320 0.002 0.000 0.220 98 A C 2.227 179.794 177.584 -0.028 0.000 1.160 98 A CA 1.516 53.550 52.037 -0.005 0.000 0.653 98 A CB -1.246 17.760 19.000 0.011 0.000 0.801 98 A HN 0.538 nan 8.150 nan 0.000 0.455 99 G N -0.491 108.279 108.800 -0.050 0.000 2.539 99 G HA2 0.038 3.999 3.960 0.002 0.000 0.215 99 G HA3 0.038 3.999 3.960 0.002 0.000 0.215 99 G C 1.397 176.246 174.900 -0.085 0.000 1.141 99 G CA 0.754 45.819 45.100 -0.059 0.000 0.806 99 G HN 0.476 nan 8.290 nan 0.000 0.533 100 I N 1.380 121.870 120.570 -0.133 0.000 2.546 100 I HA -0.090 4.081 4.170 0.002 0.000 0.255 100 I C 2.707 178.761 176.117 -0.105 0.000 1.163 100 I CA 0.697 61.894 61.300 -0.171 0.000 1.457 100 I CB 0.060 37.862 38.000 -0.330 0.000 1.092 100 I HN 0.155 nan 8.210 nan 0.000 0.434 101 V N -2.230 117.641 119.914 -0.070 0.000 2.951 101 V HA 0.006 4.127 4.120 0.002 0.000 0.255 101 V C 1.943 178.030 176.094 -0.012 0.000 1.088 101 V CA 1.395 63.679 62.300 -0.026 0.000 1.109 101 V CB -0.721 31.099 31.823 -0.004 0.000 0.724 101 V HN 0.375 nan 8.190 nan 0.000 0.471 102 N N 1.256 119.942 118.700 -0.025 0.000 2.416 102 N HA -0.068 4.673 4.740 0.002 0.000 0.177 102 N C 1.013 176.507 175.510 -0.027 0.000 1.036 102 N CA 0.433 53.470 53.050 -0.021 0.000 0.901 102 N CB -0.106 38.366 38.487 -0.025 0.000 0.976 102 N HN 0.806 nan 8.380 nan 0.000 0.444 103 E N 1.034 121.213 120.200 -0.034 0.000 2.498 103 E HA 0.001 4.352 4.350 0.002 0.000 0.252 103 E C -1.099 175.493 176.600 -0.014 0.000 1.025 103 E CA 0.443 56.823 56.400 -0.034 0.000 0.938 103 E CB 0.180 29.853 29.700 -0.045 0.000 0.947 103 E HN -0.032 nan 8.360 nan 0.000 0.478 104 S N 4.026 119.715 115.700 -0.019 0.000 2.536 104 S HA 0.156 4.627 4.470 0.002 0.000 0.271 104 S C 0.383 174.956 174.600 -0.046 0.000 1.134 104 S CA -0.824 57.379 58.200 0.004 0.000 0.897 104 S CB 1.655 64.881 63.200 0.043 0.000 1.094 104 S HN 0.595 nan 8.310 nan 0.000 0.473 105 K N 2.227 122.574 120.400 -0.090 0.000 2.057 105 K HA -0.044 4.277 4.320 0.002 0.000 0.207 105 K C -0.333 176.037 176.600 -0.383 0.000 1.049 105 K CA 1.595 57.700 56.287 -0.303 0.000 0.931 105 K CB -0.207 31.994 32.500 -0.498 0.000 0.714 105 K HN 0.685 nan 8.250 nan 0.000 0.440 106 Y N 0.582 120.890 120.300 0.014 0.000 2.519 106 Y HA 0.125 4.676 4.550 0.002 0.000 0.324 106 Y C 1.458 177.338 175.900 -0.032 0.000 1.214 106 Y CA -0.901 57.213 58.100 0.023 0.000 1.260 106 Y CB 0.629 39.147 38.460 0.096 0.000 1.311 106 Y HN -0.055 nan 8.280 nan 0.000 0.505 107 D N 0.032 120.494 120.400 0.102 0.000 2.133 107 D HA -0.177 4.464 4.640 0.002 0.000 0.195 107 D C -0.570 175.434 176.300 -0.494 0.000 0.997 107 D CA 2.089 55.950 54.000 -0.233 0.000 0.840 107 D CB -0.021 40.636 40.800 -0.238 0.000 0.947 107 D HN 0.411 nan 8.370 nan 0.000 0.452 108 Y N -0.684 119.699 120.300 0.139 0.000 2.553 108 Y HA 0.202 4.753 4.550 0.002 0.000 0.347 108 Y C 0.868 176.842 175.900 0.123 0.000 1.019 108 Y CA -1.046 57.112 58.100 0.096 0.000 1.032 108 Y CB 1.425 39.922 38.460 0.061 0.000 1.284 108 Y HN -0.338 nan 8.280 nan 0.000 0.466 109 D N 0.801 121.348 120.400 0.245 0.000 2.224 109 D HA -0.026 4.615 4.640 0.002 0.000 0.205 109 D C -0.361 176.069 176.300 0.216 0.000 0.965 109 D CA 1.533 55.662 54.000 0.214 0.000 0.852 109 D CB 0.574 41.429 40.800 0.092 0.000 0.947 109 D HN 0.226 nan 8.370 nan 0.000 0.494 110 L N 0.562 121.873 121.223 0.146 0.000 2.543 110 L HA 0.361 4.702 4.340 0.002 0.000 0.265 110 L C -1.622 175.267 176.870 0.031 0.000 0.945 110 L CA -0.384 54.522 54.840 0.110 0.000 0.869 110 L CB 2.061 44.144 42.059 0.041 0.000 1.294 110 L HN -0.251 nan 8.230 nan 0.000 0.405 111 I N 5.839 126.428 120.570 0.032 0.000 2.328 111 I HA 0.403 4.574 4.170 0.002 0.000 0.287 111 I C -0.556 175.559 176.117 -0.003 0.000 1.012 111 I CA -0.853 60.424 61.300 -0.038 0.000 1.195 111 I CB 1.633 39.627 38.000 -0.011 0.000 1.350 111 I HN 0.285 nan 8.210 nan 0.000 0.464 112 V N 7.715 127.616 119.914 -0.022 0.000 2.383 112 V HA 0.348 4.469 4.120 0.002 0.000 0.275 112 V C 0.250 176.351 176.094 0.012 0.000 1.036 112 V CA -0.402 61.904 62.300 0.010 0.000 0.889 112 V CB 1.201 33.027 31.823 0.004 0.000 0.985 112 V HN 0.473 nan 8.190 nan 0.000 0.459 113 I N 4.704 125.291 120.570 0.029 0.000 2.306 113 I HA 0.704 4.875 4.170 0.002 0.000 0.288 113 I C 0.703 176.849 176.117 0.049 0.000 1.036 113 I CA -0.014 61.309 61.300 0.038 0.000 1.221 113 I CB 1.142 39.164 38.000 0.037 0.000 1.385 113 I HN 0.891 nan 8.210 nan 0.000 0.472 114 G N 3.569 112.405 108.800 0.058 0.000 3.393 114 G HA2 0.024 3.985 3.960 0.002 0.000 0.676 114 G HA3 0.024 3.985 3.960 0.002 0.000 0.676 114 G C -0.014 174.910 174.900 0.039 0.000 1.224 114 G CA -0.556 44.579 45.100 0.058 0.000 1.109 114 G HN 0.918 nan 8.290 nan 0.000 0.519 115 G N 0.623 109.452 108.800 0.049 0.000 3.678 115 G HA2 0.632 4.593 3.960 0.002 0.000 0.287 115 G HA3 0.632 4.593 3.960 0.002 0.000 0.287 115 G C 0.903 175.771 174.900 -0.054 0.000 1.280 115 G CA 0.914 46.012 45.100 -0.003 0.000 1.118 115 G HN 1.177 nan 8.290 nan 0.000 0.563 116 G N -0.045 108.733 108.800 -0.037 0.000 2.574 116 G HA2 0.360 4.322 3.960 0.002 0.000 0.248 116 G HA3 0.360 4.322 3.960 0.002 0.000 0.248 116 G C 1.222 176.048 174.900 -0.123 0.000 1.422 116 G CA 0.392 45.458 45.100 -0.058 0.000 1.051 116 G HN 0.156 nan 8.290 nan 0.000 0.560 117 S N -0.259 115.384 115.700 -0.096 0.000 2.351 117 S HA -0.133 4.338 4.470 0.002 0.000 0.220 117 S C 2.490 177.038 174.600 -0.087 0.000 1.035 117 S CA 1.884 60.018 58.200 -0.110 0.000 1.031 117 S CB -0.824 62.341 63.200 -0.058 0.000 0.928 117 S HN 0.765 nan 8.310 nan 0.000 0.433 118 G N 0.664 109.439 108.800 -0.040 0.000 2.408 118 G HA2 0.007 3.969 3.960 0.002 0.000 0.217 118 G HA3 0.007 3.969 3.960 0.002 0.000 0.217 118 G C 1.391 176.277 174.900 -0.023 0.000 1.150 118 G CA 0.970 46.058 45.100 -0.020 0.000 0.776 118 G HN 0.567 nan 8.290 nan 0.000 0.542 119 G N 1.149 109.931 108.800 -0.031 0.000 2.453 119 G HA2 -0.147 3.814 3.960 0.002 0.000 0.215 119 G HA3 -0.147 3.814 3.960 0.002 0.000 0.215 119 G C 1.807 176.674 174.900 -0.056 0.000 1.201 119 G CA 0.828 45.913 45.100 -0.026 0.000 0.784 119 G HN 0.397 nan 8.290 nan 0.000 0.545 120 L N 1.009 122.163 121.223 -0.115 0.000 2.042 120 L HA -0.109 4.232 4.340 0.002 0.000 0.210 120 L C 3.420 180.230 176.870 -0.101 0.000 1.076 120 L CA 1.228 55.975 54.840 -0.154 0.000 0.749 120 L CB -0.484 41.386 42.059 -0.315 0.000 0.893 120 L HN 0.301 nan 8.230 nan 0.000 0.432 121 A N -0.027 122.741 122.820 -0.087 0.000 1.883 121 A HA -0.191 4.131 4.320 0.002 0.000 0.217 121 A C 2.545 180.127 177.584 -0.003 0.000 1.186 121 A CA 1.943 53.957 52.037 -0.039 0.000 0.624 121 A CB -0.823 18.158 19.000 -0.033 0.000 0.822 121 A HN 0.407 nan 8.150 nan 0.000 0.444 122 A N -0.505 122.317 122.820 0.003 0.000 1.855 122 A HA 0.161 4.482 4.320 0.002 0.000 0.215 122 A C 2.493 180.090 177.584 0.022 0.000 1.191 122 A CA 1.993 54.049 52.037 0.033 0.000 0.613 122 A CB -1.602 17.421 19.000 0.039 0.000 0.829 122 A HN 0.810 nan 8.150 nan 0.000 0.442 123 G N -0.061 108.733 108.800 -0.009 0.000 2.631 123 G HA2 -0.346 3.615 3.960 0.002 0.000 0.219 123 G HA3 -0.346 3.615 3.960 0.002 0.000 0.219 123 G C 1.667 176.545 174.900 -0.035 0.000 1.214 123 G CA 1.402 46.484 45.100 -0.030 0.000 0.785 123 G HN 0.577 nan 8.290 nan 0.000 0.596 124 K N 0.002 120.381 120.400 -0.035 0.000 2.113 124 K HA -0.129 4.192 4.320 0.002 0.000 0.208 124 K C 2.444 179.024 176.600 -0.033 0.000 1.047 124 K CA 1.473 57.737 56.287 -0.039 0.000 0.928 124 K CB -0.101 32.380 32.500 -0.031 0.000 0.716 124 K HN 0.331 nan 8.250 nan 0.000 0.446 125 E N 0.743 120.951 120.200 0.013 0.000 2.046 125 E HA -0.095 4.256 4.350 0.002 0.000 0.190 125 E C 1.785 178.472 176.600 0.145 0.000 0.982 125 E CA 1.382 57.829 56.400 0.078 0.000 0.800 125 E CB -0.144 29.637 29.700 0.134 0.000 0.756 125 E HN 0.275 nan 8.360 nan 0.000 0.449 126 A N 0.843 123.721 122.820 0.096 0.000 1.902 126 A HA -0.069 4.253 4.320 0.002 0.000 0.217 126 A C 2.432 179.963 177.584 -0.088 0.000 1.181 126 A CA 2.023 54.072 52.037 0.021 0.000 0.623 126 A CB -1.041 17.850 19.000 -0.181 0.000 0.818 126 A HN 0.369 nan 8.150 nan 0.000 0.443 127 A N -0.335 122.423 122.820 -0.104 0.000 1.978 127 A HA -0.175 4.146 4.320 0.002 0.000 0.220 127 A C 2.023 179.526 177.584 -0.134 0.000 1.170 127 A CA 1.786 53.755 52.037 -0.113 0.000 0.636 127 A CB -0.352 18.597 19.000 -0.085 0.000 0.810 127 A HN 0.374 nan 8.150 nan 0.000 0.448 128 K N -1.230 119.044 120.400 -0.210 0.000 2.283 128 K HA -0.086 4.235 4.320 0.002 0.000 0.202 128 K C 0.691 176.989 176.600 -0.503 0.000 1.048 128 K CA 1.023 57.071 56.287 -0.398 0.000 0.948 128 K CB -0.272 31.889 32.500 -0.565 0.000 0.742 128 K HN 0.744 nan 8.250 nan 0.000 0.458 129 Y N -0.419 119.839 120.300 -0.070 0.000 2.485 129 Y HA 0.204 4.755 4.550 0.002 0.000 0.260 129 Y C 1.367 177.253 175.900 -0.023 0.000 1.173 129 Y CA 0.244 58.318 58.100 -0.043 0.000 1.252 129 Y CB 0.589 39.057 38.460 0.013 0.000 1.123 129 Y HN 0.221 nan 8.280 nan 0.000 0.524 130 G N -0.075 108.741 108.800 0.027 0.000 2.159 130 G HA2 -0.178 3.784 3.960 0.002 0.000 0.227 130 G HA3 -0.178 3.784 3.960 0.002 0.000 0.227 130 G C 0.287 175.181 174.900 -0.011 0.000 0.986 130 G CA -0.229 44.885 45.100 0.023 0.000 0.651 130 G HN 0.588 nan 8.290 nan 0.000 0.523 131 A N 0.503 123.255 122.820 -0.114 0.000 2.450 131 A HA 0.575 4.896 4.320 0.002 0.000 0.255 131 A C 0.692 178.181 177.584 -0.158 0.000 1.096 131 A CA 0.234 52.104 52.037 -0.277 0.000 0.778 131 A CB 0.319 18.740 19.000 -0.966 0.000 1.031 131 A HN 0.359 nan 8.150 nan 0.000 0.494 132 K N 1.948 122.322 120.400 -0.043 0.000 2.379 132 K HA 0.310 4.631 4.320 0.002 0.000 0.284 132 K C -0.494 176.172 176.600 0.111 0.000 1.044 132 K CA 0.448 56.777 56.287 0.070 0.000 0.974 132 K CB 0.529 33.102 32.500 0.120 0.000 0.962 132 K HN 0.757 nan 8.250 nan 0.000 0.474 133 T N 0.919 115.533 114.554 0.100 0.000 2.876 133 T HA 0.549 4.900 4.350 0.002 0.000 0.289 133 T C -1.063 173.545 174.700 -0.153 0.000 1.014 133 T CA -0.871 61.212 62.100 -0.028 0.000 0.986 133 T CB 1.850 70.670 68.868 -0.081 0.000 1.021 133 T HN 0.555 nan 8.240 nan 0.000 0.458 134 A N 2.386 124.999 122.820 -0.346 0.000 2.375 134 A HA 0.704 5.025 4.320 0.002 0.000 0.291 134 A C -0.593 176.866 177.584 -0.208 0.000 1.160 134 A CA -0.642 51.104 52.037 -0.484 0.000 0.747 134 A CB 0.818 19.138 19.000 -1.134 0.000 1.170 134 A HN 0.689 nan 8.150 nan 0.000 0.458 135 V N 3.951 123.821 119.914 -0.073 0.000 2.407 135 V HA 0.370 4.491 4.120 0.002 0.000 0.278 135 V C -0.064 176.091 176.094 0.101 0.000 1.037 135 V CA -0.204 62.107 62.300 0.019 0.000 0.900 135 V CB 1.170 33.014 31.823 0.035 0.000 0.983 135 V HN 0.762 nan 8.190 nan 0.000 0.459 136 L N 4.424 125.690 121.223 0.071 0.000 2.307 136 L HA 0.642 4.983 4.340 0.002 0.000 0.284 136 L C -0.749 176.213 176.870 0.153 0.000 1.023 136 L CA -0.213 54.680 54.840 0.088 0.000 0.810 136 L CB 1.744 43.823 42.059 0.034 0.000 1.231 136 L HN 0.642 nan 8.230 nan 0.000 0.423 137 D N 1.746 122.278 120.400 0.219 0.000 2.964 137 D HA 0.430 5.071 4.640 0.002 0.000 0.234 137 D C -1.779 174.660 176.300 0.233 0.000 1.223 137 D CA -0.228 53.914 54.000 0.236 0.000 0.889 137 D CB 1.716 42.703 40.800 0.312 0.000 1.609 137 D HN 0.288 nan 8.370 nan 0.000 0.523 138 Y N 3.331 123.657 120.300 0.043 0.000 2.433 138 Y HA 0.546 5.098 4.550 0.002 0.000 0.337 138 Y C -2.006 173.868 175.900 -0.044 0.000 1.026 138 Y CA -0.845 57.250 58.100 -0.008 0.000 1.037 138 Y CB 1.491 39.938 38.460 -0.022 0.000 1.245 138 Y HN 0.184 nan 8.280 nan 0.000 0.443 139 V N 6.268 125.757 119.914 -0.709 0.000 2.318 139 V HA 0.241 4.362 4.120 0.002 0.000 0.271 139 V C -0.039 175.377 176.094 -1.131 0.000 1.030 139 V CA -0.753 61.045 62.300 -0.837 0.000 0.844 139 V CB 1.060 32.374 31.823 -0.848 0.000 1.015 139 V HN 0.808 nan 8.190 nan 0.000 0.460 140 E N 6.616 126.221 120.200 -0.992 0.000 2.299 140 E HA 0.211 4.562 4.350 0.002 0.000 0.272 140 E C -2.306 174.050 176.600 -0.406 0.000 1.043 140 E CA -1.591 54.445 56.400 -0.606 0.000 0.895 140 E CB 0.973 30.513 29.700 -0.265 0.000 1.011 140 E HN 0.455 nan 8.360 nan 0.000 0.432 141 P HA -0.007 nan 4.420 nan 0.000 0.268 141 P C -0.617 176.635 177.300 -0.079 0.000 1.205 141 P CA -0.182 62.803 63.100 -0.192 0.000 0.771 141 P CB 0.637 32.275 31.700 -0.103 0.000 0.858 142 T N 1.152 115.700 114.554 -0.010 0.000 2.748 142 T HA 0.107 4.458 4.350 0.002 0.000 0.304 142 T C -1.576 173.152 174.700 0.048 0.000 1.041 142 T CA -1.226 60.919 62.100 0.076 0.000 1.033 142 T CB -0.739 68.231 68.868 0.170 0.000 0.995 142 T HN 0.211 nan 8.240 nan 0.000 0.536 143 P HA -0.195 nan 4.420 nan 0.000 0.219 143 P C 1.558 178.864 177.300 0.010 0.000 1.158 143 P CA 1.331 64.421 63.100 -0.015 0.000 0.895 143 P CB -0.320 31.337 31.700 -0.071 0.000 0.792 144 I N -5.039 115.566 120.570 0.059 0.000 3.291 144 I HA 0.313 4.484 4.170 0.002 0.000 0.279 144 I C 1.070 177.224 176.117 0.061 0.000 1.294 144 I CA 0.907 62.245 61.300 0.065 0.000 1.428 144 I CB -0.960 37.101 38.000 0.102 0.000 1.070 144 I HN 0.093 nan 8.210 nan 0.000 0.478 145 G N 0.961 109.791 108.800 0.050 0.000 2.270 145 G HA2 -0.186 3.775 3.960 0.002 0.000 0.224 145 G HA3 -0.186 3.775 3.960 0.002 0.000 0.224 145 G C 0.024 174.950 174.900 0.042 0.000 1.079 145 G CA -0.014 45.105 45.100 0.032 0.000 0.807 145 G HN 0.534 nan 8.290 nan 0.000 0.492 146 T N 1.133 115.726 114.554 0.064 0.000 2.799 146 T HA 0.749 5.100 4.350 0.002 0.000 0.286 146 T C 0.427 175.125 174.700 -0.005 0.000 0.973 146 T CA 0.296 62.462 62.100 0.111 0.000 1.035 146 T CB 2.007 71.015 68.868 0.234 0.000 0.932 146 T HN 0.987 nan 8.240 nan 0.000 0.469 147 T N -0.091 114.460 114.554 -0.005 0.000 2.841 147 T HA 0.843 5.194 4.350 0.002 0.000 0.296 147 T C -1.420 173.309 174.700 0.049 0.000 1.166 147 T CA -1.200 60.732 62.100 -0.279 0.000 1.007 147 T CB 1.620 70.330 68.868 -0.262 0.000 1.253 147 T HN 0.888 nan 8.240 nan 0.000 0.511 148 W N -1.224 120.094 121.300 0.030 0.000 2.923 148 W HA 0.804 5.465 4.660 0.002 0.000 0.373 148 W C -0.106 176.441 176.519 0.046 0.000 1.205 148 W CA -1.136 56.235 57.345 0.043 0.000 1.180 148 W CB 0.307 29.795 29.460 0.047 0.000 1.477 148 W HN 0.968 nan 8.180 nan 0.000 0.581 149 G N 0.405 109.433 108.800 0.380 0.000 2.510 149 G HA2 0.469 4.430 3.960 0.002 0.000 0.280 149 G HA3 0.469 4.430 3.960 0.002 0.000 0.280 149 G C -1.038 174.034 174.900 0.287 0.000 1.386 149 G CA -0.997 44.258 45.100 0.258 0.000 1.047 149 G HN 0.766 nan 8.290 nan 0.000 0.527 150 L N -0.045 121.297 121.223 0.199 0.000 2.483 150 L HA 0.449 4.790 4.340 0.002 0.000 0.276 150 L C 1.385 178.316 176.870 0.101 0.000 1.213 150 L CA 2.193 57.100 54.840 0.113 0.000 0.843 150 L CB 0.950 42.978 42.059 -0.052 0.000 1.107 150 L HN 1.169 nan 8.230 nan 0.000 0.487 151 G N 1.101 109.902 108.800 0.002 0.000 3.288 151 G HA2 0.353 4.314 3.960 0.002 0.000 0.195 151 G HA3 0.353 4.314 3.960 0.002 0.000 0.195 151 G C 0.648 175.495 174.900 -0.088 0.000 1.093 151 G CA 0.169 45.209 45.100 -0.099 0.000 0.852 151 G HN 1.871 nan 8.290 nan 0.000 0.453 152 G N -1.226 107.605 108.800 0.051 0.000 2.384 152 G HA2 0.247 4.208 3.960 0.002 0.000 0.204 152 G HA3 0.247 4.208 3.960 0.002 0.000 0.204 152 G C 0.693 175.612 174.900 0.033 0.000 1.237 152 G CA 0.745 45.891 45.100 0.076 0.000 1.060 152 G HN 1.101 nan 8.290 nan 0.000 0.514 153 T N -0.274 114.289 114.554 0.015 0.000 2.668 153 T HA -0.161 4.190 4.350 0.002 0.000 0.262 153 T C 2.465 177.080 174.700 -0.141 0.000 1.045 153 T CA 2.726 64.785 62.100 -0.069 0.000 1.152 153 T CB -0.796 68.081 68.868 0.015 0.000 0.864 153 T HN 1.221 nan 8.240 nan 0.000 0.419 154 c N 1.521 120.076 118.600 -0.075 0.000 2.391 154 c HA -0.107 4.464 4.570 0.002 0.000 0.276 154 c C 2.773 176.787 174.090 -0.127 0.000 1.217 154 c CA 0.914 57.193 56.329 -0.082 0.000 1.766 154 c CB -1.307 41.180 42.510 -0.039 0.000 2.046 154 c HN 0.390 nan 8.230 nan 0.000 0.475 155 V N 1.398 121.248 119.914 -0.108 0.000 2.358 155 V HA -0.136 3.986 4.120 0.002 0.000 0.246 155 V C 2.206 178.200 176.094 -0.167 0.000 1.047 155 V CA 2.390 64.642 62.300 -0.081 0.000 1.035 155 V CB -0.586 31.241 31.823 0.006 0.000 0.658 155 V HN 0.622 nan 8.190 nan 0.000 0.452 156 N N -0.305 118.216 118.700 -0.297 0.000 2.463 156 N HA 0.056 4.797 4.740 0.002 0.000 0.183 156 N C 0.952 176.156 175.510 -0.511 0.000 1.064 156 N CA 1.397 54.185 53.050 -0.437 0.000 0.879 156 N CB 1.570 39.583 38.487 -0.790 0.000 1.148 156 N HN 0.528 nan 8.380 nan 0.000 0.451 157 V N -3.400 116.200 119.914 -0.522 0.000 3.399 157 V HA 0.596 4.717 4.120 0.002 0.000 0.357 157 V C 0.418 176.418 176.094 -0.156 0.000 1.480 157 V CA -0.323 61.810 62.300 -0.277 0.000 1.263 157 V CB 0.477 32.012 31.823 -0.479 0.000 1.103 157 V HN 0.098 nan 8.190 nan 0.000 0.533 158 G N 0.073 108.701 108.800 -0.287 0.000 3.377 158 G HA2 0.272 4.233 3.960 0.002 0.000 0.182 158 G HA3 0.272 4.233 3.960 0.002 0.000 0.182 158 G C 0.997 175.755 174.900 -0.236 0.000 1.166 158 G CA 0.600 45.604 45.100 -0.159 0.000 0.771 158 G HN 0.285 nan 8.290 nan 0.000 0.701 159 c N 0.842 119.372 118.600 -0.118 0.000 2.385 159 c HA -0.073 4.498 4.570 0.002 0.000 0.275 159 c C 2.776 176.733 174.090 -0.222 0.000 1.207 159 c CA 0.449 56.706 56.329 -0.120 0.000 1.760 159 c CB -1.325 41.150 42.510 -0.059 0.000 2.051 159 c HN 0.405 nan 8.230 nan 0.000 0.467 160 I N 2.449 122.892 120.570 -0.211 0.000 2.113 160 I HA -0.091 4.080 4.170 0.002 0.000 0.238 160 I C 0.154 176.094 176.117 -0.295 0.000 1.070 160 I CA 1.555 62.741 61.300 -0.191 0.000 1.332 160 I CB -2.808 35.141 38.000 -0.084 0.000 1.044 160 I HN 0.242 nan 8.210 nan 0.000 0.402 161 P HA -0.157 nan 4.420 nan 0.000 0.219 161 P C 1.667 178.522 177.300 -0.742 0.000 1.150 161 P CA 1.324 64.058 63.100 -0.611 0.000 0.814 161 P CB -0.048 31.134 31.700 -0.862 0.000 0.787 162 K N 1.413 121.336 120.400 -0.796 0.000 2.001 162 K HA -0.185 4.136 4.320 0.002 0.000 0.214 162 K C 2.106 178.519 176.600 -0.311 0.000 1.050 162 K CA 1.787 57.809 56.287 -0.443 0.000 0.934 162 K CB -0.581 31.811 32.500 -0.180 0.000 0.718 162 K HN 0.005 nan 8.250 nan 0.000 0.443 163 K N 0.524 120.736 120.400 -0.313 0.000 2.217 163 K HA -0.002 4.319 4.320 0.002 0.000 0.202 163 K C 2.362 178.815 176.600 -0.245 0.000 1.051 163 K CA 0.432 56.545 56.287 -0.290 0.000 0.952 163 K CB 0.034 32.250 32.500 -0.473 0.000 0.736 163 K HN 0.150 nan 8.250 nan 0.000 0.453 164 L N 0.417 121.468 121.223 -0.286 0.000 2.046 164 L HA -0.188 4.153 4.340 0.002 0.000 0.208 164 L C 2.480 179.185 176.870 -0.274 0.000 1.077 164 L CA 1.218 55.902 54.840 -0.260 0.000 0.747 164 L CB -0.189 41.722 42.059 -0.245 0.000 0.896 164 L HN 0.283 nan 8.230 nan 0.000 0.432 165 M N -1.702 117.657 119.600 -0.402 0.000 2.200 165 M HA -0.189 4.292 4.480 0.002 0.000 0.265 165 M C 2.324 178.364 176.300 -0.433 0.000 1.066 165 M CA 1.235 56.198 55.300 -0.562 0.000 1.127 165 M CB -0.619 31.300 32.600 -1.134 0.000 1.379 165 M HN 0.268 nan 8.290 nan 0.000 0.420 166 H N 0.825 119.644 119.070 -0.419 0.000 2.319 166 H HA -0.232 4.325 4.556 0.002 0.000 0.299 166 H C 1.979 177.287 175.328 -0.034 0.000 1.092 166 H CA 2.452 58.456 56.048 -0.074 0.000 1.302 166 H CB -0.317 29.434 29.762 -0.018 0.000 1.373 166 H HN 0.270 nan 8.280 nan 0.000 0.497 167 Q N 0.558 120.203 119.800 -0.259 0.000 2.112 167 Q HA -0.124 4.217 4.340 0.002 0.000 0.206 167 Q C 2.375 178.274 176.000 -0.167 0.000 0.987 167 Q CA 2.260 57.902 55.803 -0.267 0.000 0.858 167 Q CB -0.899 27.719 28.738 -0.201 0.000 0.905 167 Q HN 0.571 nan 8.270 nan 0.000 0.420 168 A N -0.478 122.268 122.820 -0.124 0.000 1.972 168 A HA 0.005 4.326 4.320 0.002 0.000 0.219 168 A C 2.262 179.828 177.584 -0.030 0.000 1.169 168 A CA 1.480 53.473 52.037 -0.074 0.000 0.635 168 A CB -1.167 17.789 19.000 -0.073 0.000 0.810 168 A HN 0.560 nan 8.150 nan 0.000 0.446 169 G N -0.438 108.382 108.800 0.035 0.000 2.421 169 G HA2 -0.052 3.909 3.960 0.002 0.000 0.217 169 G HA3 -0.052 3.909 3.960 0.002 0.000 0.217 169 G C 1.500 176.496 174.900 0.159 0.000 1.143 169 G CA 0.819 46.014 45.100 0.158 0.000 0.784 169 G HN 0.426 nan 8.290 nan 0.000 0.541 170 L N -0.099 121.123 121.223 -0.002 0.000 2.109 170 L HA 0.079 4.420 4.340 0.002 0.000 0.207 170 L C 2.800 179.715 176.870 0.075 0.000 1.086 170 L CA 0.366 55.204 54.840 -0.003 0.000 0.760 170 L CB -0.341 41.626 42.059 -0.153 0.000 0.910 170 L HN 0.167 nan 8.230 nan 0.000 0.437 171 L N -0.949 120.289 121.223 0.024 0.000 2.127 171 L HA -0.241 4.100 4.340 0.002 0.000 0.211 171 L C 2.818 179.725 176.870 0.063 0.000 1.089 171 L CA 0.924 55.779 54.840 0.025 0.000 0.757 171 L CB -0.474 41.578 42.059 -0.011 0.000 0.899 171 L HN 0.243 nan 8.230 nan 0.000 0.434 172 S N -0.790 114.967 115.700 0.096 0.000 2.359 172 S HA -0.243 4.228 4.470 0.002 0.000 0.222 172 S C 1.950 176.570 174.600 0.034 0.000 1.038 172 S CA 1.362 59.593 58.200 0.052 0.000 1.051 172 S CB -0.304 62.921 63.200 0.042 0.000 0.944 172 S HN 0.510 nan 8.310 nan 0.000 0.433 173 H N 0.165 119.271 119.070 0.059 0.000 2.457 173 H HA 0.087 4.644 4.556 0.002 0.000 0.294 173 H C 2.268 177.641 175.328 0.075 0.000 1.064 173 H CA 0.959 57.049 56.048 0.070 0.000 1.330 173 H CB -0.231 29.571 29.762 0.066 0.000 1.395 173 H HN 0.523 nan 8.280 nan 0.000 0.541 174 A N 1.078 124.002 122.820 0.174 0.000 2.066 174 A HA -0.016 4.305 4.320 0.002 0.000 0.218 174 A C 2.456 180.089 177.584 0.082 0.000 1.157 174 A CA 0.413 52.517 52.037 0.112 0.000 0.670 174 A CB -0.458 18.574 19.000 0.054 0.000 0.804 174 A HN 0.216 nan 8.150 nan 0.000 0.453 175 L N -1.002 120.260 121.223 0.065 0.000 2.095 175 L HA -0.121 4.220 4.340 0.002 0.000 0.204 175 L C 2.478 179.402 176.870 0.089 0.000 1.080 175 L CA 1.235 56.103 54.840 0.047 0.000 0.759 175 L CB -0.579 41.494 42.059 0.022 0.000 0.914 175 L HN 0.397 nan 8.230 nan 0.000 0.439 176 E N 0.403 120.661 120.200 0.097 0.000 2.033 176 E HA -0.272 4.079 4.350 0.002 0.000 0.199 176 E C 1.801 178.558 176.600 0.261 0.000 1.011 176 E CA 1.744 58.230 56.400 0.142 0.000 0.815 176 E CB -0.142 29.631 29.700 0.122 0.000 0.755 176 E HN 0.401 nan 8.360 nan 0.000 0.451 177 D N 0.130 120.698 120.400 0.280 0.000 2.172 177 D HA -0.204 4.437 4.640 0.002 0.000 0.196 177 D C 1.803 178.397 176.300 0.490 0.000 0.999 177 D CA 1.363 55.600 54.000 0.396 0.000 0.856 177 D CB -0.356 40.635 40.800 0.319 0.000 0.934 177 D HN 0.230 nan 8.370 nan 0.000 0.453 178 A N 0.984 124.005 122.820 0.335 0.000 1.908 178 A HA -0.244 4.077 4.320 0.002 0.000 0.218 178 A C 2.061 179.916 177.584 0.451 0.000 1.181 178 A CA 1.691 53.964 52.037 0.393 0.000 0.627 178 A CB -0.551 18.541 19.000 0.155 0.000 0.818 178 A HN 0.277 nan 8.150 nan 0.000 0.445 179 E N -0.853 119.517 120.200 0.283 0.000 2.085 179 E HA -0.225 4.126 4.350 0.002 0.000 0.194 179 E C 1.870 178.510 176.600 0.067 0.000 0.994 179 E CA 1.369 57.850 56.400 0.135 0.000 0.801 179 E CB -0.405 29.273 29.700 -0.037 0.000 0.743 179 E HN 0.749 nan 8.360 nan 0.000 0.453 180 H N -1.001 118.176 119.070 0.178 0.000 2.457 180 H HA -0.050 4.507 4.556 0.002 0.000 0.294 180 H C 1.445 176.751 175.328 -0.037 0.000 1.064 180 H CA 0.820 56.906 56.048 0.063 0.000 1.330 180 H CB -0.016 29.768 29.762 0.037 0.000 1.395 180 H HN 0.168 nan 8.280 nan 0.000 0.541 181 F N -0.054 120.048 119.950 0.254 0.000 2.797 181 F HA 0.195 4.723 4.527 0.001 0.000 0.302 181 F C 1.616 177.444 175.800 0.047 0.000 1.130 181 F CA 0.695 58.807 58.000 0.187 0.000 1.387 181 F CB 0.644 39.808 39.000 0.274 0.000 1.107 181 F HN 0.245 nan 8.300 nan 0.000 0.577 182 G N -1.308 107.575 108.800 0.139 0.000 2.148 182 G HA2 -0.258 3.703 3.960 0.002 0.000 0.203 182 G HA3 -0.258 3.703 3.960 0.002 0.000 0.203 182 G C -0.208 174.595 174.900 -0.161 0.000 0.993 182 G CA -0.757 44.306 45.100 -0.062 0.000 0.661 182 G HN 0.222 nan 8.290 nan 0.000 0.518 183 W N 1.460 122.814 121.300 0.090 0.000 2.313 183 W HA 0.548 5.209 4.660 0.002 0.000 0.328 183 W C 1.138 177.678 176.519 0.035 0.000 1.197 183 W CA -0.056 57.326 57.345 0.062 0.000 1.235 183 W CB 1.368 30.871 29.460 0.072 0.000 1.158 183 W HN 0.415 nan 8.180 nan 0.000 0.578 184 S N 4.375 120.252 115.700 0.295 0.000 3.729 184 S HA 0.566 5.037 4.470 0.002 0.000 0.235 184 S C -0.809 173.871 174.600 0.132 0.000 1.367 184 S CA -0.678 57.615 58.200 0.156 0.000 0.907 184 S CB -0.940 62.327 63.200 0.111 0.000 1.471 184 S HN 0.483 nan 8.310 nan 0.000 0.476 185 L N -1.126 120.164 121.223 0.112 0.000 2.556 185 L HA 0.636 4.977 4.340 0.002 0.000 0.257 185 L C -0.192 176.707 176.870 0.049 0.000 0.955 185 L CA -0.825 54.060 54.840 0.075 0.000 0.850 185 L CB 1.343 43.447 42.059 0.074 0.000 1.398 185 L HN 0.145 nan 8.230 nan 0.000 0.412 186 D N 0.941 121.360 120.400 0.031 0.000 2.249 186 D HA -0.085 4.556 4.640 0.002 0.000 0.205 186 D C 1.348 177.657 176.300 0.015 0.000 0.962 186 D CA 0.675 54.685 54.000 0.016 0.000 0.860 186 D CB 0.416 41.222 40.800 0.010 0.000 0.955 186 D HN 0.765 nan 8.370 nan 0.000 0.505 187 R N -0.345 120.167 120.500 0.020 0.000 3.826 187 R HA -0.196 4.145 4.340 0.002 0.000 0.295 187 R C 0.369 176.674 176.300 0.008 0.000 1.200 187 R CA 1.088 57.198 56.100 0.017 0.000 0.818 187 R CB -2.073 28.243 30.300 0.026 0.000 1.216 187 R HN 0.063 nan 8.270 nan 0.000 0.513 188 S N -1.741 113.963 115.700 0.006 0.000 2.554 188 S HA 0.229 4.700 4.470 0.002 0.000 0.227 188 S C 0.901 175.502 174.600 0.001 0.000 1.050 188 S CA 0.313 58.513 58.200 0.001 0.000 0.927 188 S CB 0.477 63.676 63.200 -0.002 0.000 0.859 188 S HN 0.460 nan 8.310 nan 0.000 0.494 189 K N 0.687 121.090 120.400 0.004 0.000 2.367 189 K HA 0.340 4.661 4.320 0.002 0.000 0.195 189 K C -0.028 176.576 176.600 0.006 0.000 1.060 189 K CA 0.087 56.377 56.287 0.004 0.000 1.022 189 K CB 0.446 32.949 32.500 0.005 0.000 0.894 189 K HN 0.263 nan 8.250 nan 0.000 0.540 190 I N 2.593 123.169 120.570 0.010 0.000 2.648 190 I HA -0.076 4.095 4.170 0.002 0.000 0.284 190 I C 0.634 176.762 176.117 0.019 0.000 1.153 190 I CA 0.038 61.347 61.300 0.015 0.000 1.426 190 I CB 0.810 38.821 38.000 0.019 0.000 1.381 190 I HN 0.097 nan 8.210 nan 0.000 0.571 191 S N 4.342 120.055 115.700 0.022 0.000 2.677 191 S HA 0.481 4.953 4.470 0.002 0.000 0.304 191 S C -0.841 173.799 174.600 0.067 0.000 1.108 191 S CA -0.819 57.399 58.200 0.029 0.000 0.944 191 S CB 1.795 64.994 63.200 -0.002 0.000 1.127 191 S HN 0.655 nan 8.310 nan 0.000 0.511 192 H N 0.735 119.789 119.070 -0.027 0.000 2.504 192 H HA 0.537 5.095 4.556 0.002 0.000 0.322 192 H C -0.807 174.525 175.328 0.007 0.000 1.055 192 H CA -0.389 55.659 56.048 0.001 0.000 1.231 192 H CB 0.814 30.593 29.762 0.029 0.000 1.417 192 H HN 0.668 nan 8.280 nan 0.000 0.472 193 N N 5.810 124.203 118.700 -0.512 0.000 2.521 193 N HA -0.003 4.738 4.740 0.002 0.000 0.236 193 N C 0.768 175.995 175.510 -0.472 0.000 1.067 193 N CA -0.543 52.285 53.050 -0.371 0.000 0.939 193 N CB 0.104 38.496 38.487 -0.158 0.000 1.201 193 N HN 0.768 nan 8.380 nan 0.000 0.511 194 W N 3.334 124.353 121.300 -0.470 0.000 2.342 194 W HA -0.197 4.464 4.660 0.002 0.000 0.297 194 W C 1.353 177.891 176.519 0.031 0.000 1.213 194 W CA 1.324 58.637 57.345 -0.054 0.000 1.251 194 W CB -0.591 29.081 29.460 0.352 0.000 1.136 194 W HN 0.494 nan 8.180 nan 0.000 0.526 195 S N 0.226 116.024 115.700 0.164 0.000 2.370 195 S HA -0.193 4.278 4.470 0.002 0.000 0.226 195 S C 1.811 176.367 174.600 -0.073 0.000 1.033 195 S CA 2.480 60.721 58.200 0.069 0.000 1.011 195 S CB -0.581 62.700 63.200 0.135 0.000 0.852 195 S HN 0.329 nan 8.310 nan 0.000 0.457 196 T N 1.932 116.435 114.554 -0.086 0.000 2.777 196 T HA -0.047 4.304 4.350 0.002 0.000 0.266 196 T C 1.780 176.408 174.700 -0.120 0.000 1.040 196 T CA 1.509 63.557 62.100 -0.087 0.000 1.141 196 T CB -0.302 68.522 68.868 -0.073 0.000 0.868 196 T HN 0.427 nan 8.240 nan 0.000 0.444 197 M N 0.828 120.329 119.600 -0.166 0.000 2.117 197 M HA -0.105 4.376 4.480 0.002 0.000 0.262 197 M C 2.071 178.218 176.300 -0.255 0.000 1.065 197 M CA 1.592 56.794 55.300 -0.164 0.000 1.114 197 M CB -0.203 32.351 32.600 -0.077 0.000 1.361 197 M HN 0.095 nan 8.290 nan 0.000 0.408 198 V N 0.345 120.020 119.914 -0.398 0.000 2.719 198 V HA -0.166 3.955 4.120 0.002 0.000 0.252 198 V C 2.255 178.256 176.094 -0.154 0.000 1.065 198 V CA 1.259 63.352 62.300 -0.345 0.000 1.086 198 V CB -0.721 30.820 31.823 -0.470 0.000 0.700 198 V HN 0.428 nan 8.190 nan 0.000 0.467 199 E N 1.017 121.147 120.200 -0.117 0.000 2.023 199 E HA -0.196 4.155 4.350 0.002 0.000 0.196 199 E C 2.381 178.952 176.600 -0.048 0.000 1.003 199 E CA 1.741 58.109 56.400 -0.055 0.000 0.809 199 E CB -0.917 28.760 29.700 -0.039 0.000 0.755 199 E HN 0.561 nan 8.360 nan 0.000 0.449 200 G N 1.104 109.866 108.800 -0.064 0.000 2.476 200 G HA2 -0.261 3.701 3.960 0.002 0.000 0.218 200 G HA3 -0.261 3.701 3.960 0.002 0.000 0.218 200 G C 1.872 176.747 174.900 -0.041 0.000 1.164 200 G CA 1.333 46.402 45.100 -0.051 0.000 0.768 200 G HN 0.211 nan 8.290 nan 0.000 0.560 201 V N 0.296 120.163 119.914 -0.078 0.000 2.407 201 V HA -0.183 3.938 4.120 0.002 0.000 0.248 201 V C 2.999 179.084 176.094 -0.014 0.000 1.055 201 V CA 1.930 64.189 62.300 -0.067 0.000 1.049 201 V CB -0.316 31.430 31.823 -0.127 0.000 0.662 201 V HN 0.298 nan 8.190 nan 0.000 0.455 202 Q N -0.682 119.108 119.800 -0.017 0.000 2.083 202 Q HA -0.098 4.243 4.340 0.002 0.000 0.198 202 Q C 2.584 178.599 176.000 0.025 0.000 0.969 202 Q CA 1.649 57.459 55.803 0.011 0.000 0.838 202 Q CB -0.749 28.001 28.738 0.020 0.000 0.900 202 Q HN 0.584 nan 8.270 nan 0.000 0.436 203 S N 0.074 115.788 115.700 0.023 0.000 2.372 203 S HA -0.246 4.225 4.470 0.002 0.000 0.227 203 S C 1.866 176.503 174.600 0.061 0.000 1.044 203 S CA 1.642 59.861 58.200 0.033 0.000 1.050 203 S CB -0.284 62.930 63.200 0.024 0.000 0.901 203 S HN 0.528 nan 8.310 nan 0.000 0.447 204 H N 0.208 119.261 119.070 -0.028 0.000 2.299 204 H HA 0.022 4.579 4.556 0.002 0.000 0.302 204 H C 2.188 177.506 175.328 -0.017 0.000 1.078 204 H CA 1.763 57.792 56.048 -0.031 0.000 1.323 204 H CB -0.298 29.427 29.762 -0.062 0.000 1.381 204 H HN 0.436 nan 8.280 nan 0.000 0.498 205 I N 0.747 121.250 120.570 -0.112 0.000 2.423 205 I HA -0.211 3.961 4.170 0.002 0.000 0.254 205 I C 2.844 178.925 176.117 -0.060 0.000 1.151 205 I CA 1.016 62.238 61.300 -0.129 0.000 1.421 205 I CB -0.489 37.479 38.000 -0.052 0.000 1.079 205 I HN 0.327 nan 8.210 nan 0.000 0.431 206 G N 0.769 109.561 108.800 -0.013 0.000 2.446 206 G HA2 -0.294 3.667 3.960 0.002 0.000 0.217 206 G HA3 -0.294 3.667 3.960 0.002 0.000 0.217 206 G C 1.775 176.710 174.900 0.060 0.000 1.168 206 G CA 1.122 46.245 45.100 0.038 0.000 0.771 206 G HN 0.523 nan 8.290 nan 0.000 0.551 207 S N 0.119 115.831 115.700 0.019 0.000 2.481 207 S HA 0.165 4.637 4.470 0.002 0.000 0.231 207 S C 2.223 176.812 174.600 -0.018 0.000 0.996 207 S CA 0.504 58.767 58.200 0.105 0.000 0.942 207 S CB -0.149 63.108 63.200 0.095 0.000 0.768 207 S HN 0.277 nan 8.310 nan 0.000 0.520 208 L N 1.117 122.227 121.223 -0.188 0.000 2.209 208 L HA 0.029 4.370 4.340 0.002 0.000 0.207 208 L C 2.365 179.193 176.870 -0.070 0.000 1.094 208 L CA 0.590 55.276 54.840 -0.257 0.000 0.790 208 L CB -0.648 41.232 42.059 -0.298 0.000 0.932 208 L HN 0.310 nan 8.230 nan 0.000 0.447 209 N N -0.052 118.676 118.700 0.046 0.000 2.058 209 N HA -0.251 4.491 4.740 0.002 0.000 0.191 209 N C 1.508 177.103 175.510 0.143 0.000 1.037 209 N CA 1.605 54.733 53.050 0.131 0.000 0.848 209 N CB -0.483 38.095 38.487 0.151 0.000 1.021 209 N HN 0.414 nan 8.380 nan 0.000 0.422 210 W N 2.181 123.470 121.300 -0.019 0.000 2.354 210 W HA -0.020 4.641 4.660 0.002 0.000 0.315 210 W C 2.340 178.826 176.519 -0.055 0.000 1.206 210 W CA 1.997 59.329 57.345 -0.022 0.000 1.290 210 W CB -1.047 28.397 29.460 -0.027 0.000 1.152 210 W HN 0.057 nan 8.180 nan 0.000 0.489 211 G N -0.299 108.204 108.800 -0.494 0.000 2.529 211 G HA2 -0.391 3.570 3.960 0.002 0.000 0.219 211 G HA3 -0.391 3.570 3.960 0.002 0.000 0.219 211 G C 1.359 175.920 174.900 -0.565 0.000 1.177 211 G CA 1.532 46.158 45.100 -0.790 0.000 0.773 211 G HN 0.367 nan 8.290 nan 0.000 0.573 212 Y N 0.943 121.065 120.300 -0.296 0.000 2.293 212 Y HA -0.014 4.537 4.550 0.002 0.000 0.291 212 Y C 2.708 178.444 175.900 -0.274 0.000 1.137 212 Y CA 1.201 59.153 58.100 -0.247 0.000 1.202 212 Y CB -0.276 38.069 38.460 -0.193 0.000 0.990 212 Y HN 0.209 nan 8.280 nan 0.000 0.537 213 K N 0.092 120.423 120.400 -0.115 0.000 2.002 213 K HA -0.153 4.168 4.320 0.002 0.000 0.209 213 K C 2.015 178.547 176.600 -0.113 0.000 1.048 213 K CA 1.778 57.981 56.287 -0.140 0.000 0.930 213 K CB -0.448 32.062 32.500 0.017 0.000 0.714 213 K HN 0.128 nan 8.250 nan 0.000 0.438 214 V N 1.675 121.462 119.914 -0.212 0.000 2.287 214 V HA -0.287 3.834 4.120 0.002 0.000 0.248 214 V C 2.554 178.552 176.094 -0.160 0.000 1.053 214 V CA 2.050 64.231 62.300 -0.199 0.000 1.027 214 V CB -0.880 30.696 31.823 -0.413 0.000 0.646 214 V HN 0.547 nan 8.190 nan 0.000 0.447 215 A N -0.254 122.449 122.820 -0.196 0.000 1.917 215 A HA -0.230 4.091 4.320 0.002 0.000 0.219 215 A C 2.216 179.754 177.584 -0.076 0.000 1.182 215 A CA 2.189 54.151 52.037 -0.125 0.000 0.633 215 A CB -0.593 18.358 19.000 -0.082 0.000 0.819 215 A HN 0.525 nan 8.150 nan 0.000 0.448 216 L N -1.623 119.556 121.223 -0.073 0.000 2.027 216 L HA -0.185 4.156 4.340 0.002 0.000 0.206 216 L C 2.908 179.766 176.870 -0.021 0.000 1.074 216 L CA 1.648 56.456 54.840 -0.054 0.000 0.745 216 L CB -0.591 41.419 42.059 -0.082 0.000 0.898 216 L HN 0.375 nan 8.230 nan 0.000 0.433 217 R N 0.053 120.549 120.500 -0.006 0.000 2.083 217 R HA -0.181 4.160 4.340 0.002 0.000 0.237 217 R C 1.972 178.271 176.300 -0.001 0.000 1.137 217 R CA 1.673 57.785 56.100 0.020 0.000 0.951 217 R CB -0.373 29.951 30.300 0.041 0.000 0.851 217 R HN 0.296 nan 8.270 nan 0.000 0.434 218 D N 0.370 120.754 120.400 -0.026 0.000 2.190 218 D HA -0.137 4.504 4.640 0.002 0.000 0.200 218 D C 0.732 177.011 176.300 -0.036 0.000 0.992 218 D CA 1.254 55.234 54.000 -0.034 0.000 0.854 218 D CB -0.255 40.510 40.800 -0.059 0.000 0.936 218 D HN 0.182 nan 8.370 nan 0.000 0.462 219 N N 0.230 118.906 118.700 -0.040 0.000 2.276 219 N HA 0.051 4.792 4.740 0.002 0.000 0.212 219 N C -0.440 175.051 175.510 -0.031 0.000 1.127 219 N CA 0.003 53.025 53.050 -0.048 0.000 0.834 219 N CB 0.441 38.891 38.487 -0.062 0.000 1.014 219 N HN -0.086 nan 8.380 nan 0.000 0.491 220 Q N -1.110 118.685 119.800 -0.009 0.000 2.453 220 Q HA -0.130 4.211 4.340 0.002 0.000 0.294 220 Q C -1.111 174.903 176.000 0.024 0.000 1.295 220 Q CA 0.433 56.244 55.803 0.014 0.000 0.853 220 Q CB -1.966 26.779 28.738 0.012 0.000 1.193 220 Q HN 0.133 nan 8.270 nan 0.000 0.461 221 V N 0.207 120.132 119.914 0.018 0.000 2.439 221 V HA 0.349 4.470 4.120 0.002 0.000 0.282 221 V C 0.809 176.935 176.094 0.054 0.000 1.039 221 V CA -0.399 61.911 62.300 0.017 0.000 0.913 221 V CB 1.992 33.809 31.823 -0.011 0.000 0.983 221 V HN 0.248 nan 8.190 nan 0.000 0.460 222 T N 5.447 120.029 114.554 0.047 0.000 2.738 222 T HA 0.209 4.560 4.350 0.002 0.000 0.294 222 T C -0.528 174.218 174.700 0.077 0.000 0.914 222 T CA 0.187 62.329 62.100 0.070 0.000 1.052 222 T CB -0.377 68.556 68.868 0.109 0.000 0.897 222 T HN 0.512 nan 8.240 nan 0.000 0.522 223 Y N 5.273 125.564 120.300 -0.016 0.000 2.350 223 Y HA 0.515 5.066 4.550 0.002 0.000 0.340 223 Y C -0.955 174.946 175.900 0.001 0.000 1.006 223 Y CA -1.812 56.281 58.100 -0.013 0.000 1.166 223 Y CB 0.251 38.717 38.460 0.010 0.000 1.168 223 Y HN 0.495 nan 8.280 nan 0.000 0.502 224 L N 6.483 127.511 121.223 -0.324 0.000 2.325 224 L HA 0.310 4.651 4.340 0.002 0.000 0.281 224 L C -0.014 176.534 176.870 -0.536 0.000 1.004 224 L CA -0.904 53.690 54.840 -0.409 0.000 0.823 224 L CB 1.363 43.326 42.059 -0.160 0.000 1.236 224 L HN 0.558 nan 8.230 nan 0.000 0.415 225 N N 3.423 121.760 118.700 -0.604 0.000 2.971 225 N HA 0.388 5.129 4.740 0.002 0.000 0.294 225 N C -0.843 174.608 175.510 -0.098 0.000 1.210 225 N CA 0.088 52.957 53.050 -0.303 0.000 1.157 225 N CB 0.184 38.542 38.487 -0.214 0.000 1.450 225 N HN 0.733 nan 8.380 nan 0.000 0.527 226 A N 1.702 124.494 122.820 -0.047 0.000 2.572 226 A HA 0.410 4.732 4.320 0.002 0.000 0.295 226 A C -0.605 176.960 177.584 -0.030 0.000 1.072 226 A CA -0.938 51.062 52.037 -0.063 0.000 0.691 226 A CB 1.143 20.091 19.000 -0.086 0.000 1.291 226 A HN 0.413 nan 8.150 nan 0.000 0.404 227 K N 1.025 121.315 120.400 -0.183 0.000 2.339 227 K HA 0.448 4.769 4.320 0.002 0.000 0.286 227 K C 0.226 176.785 176.600 -0.068 0.000 1.050 227 K CA 0.292 56.476 56.287 -0.172 0.000 0.956 227 K CB 0.602 32.817 32.500 -0.476 0.000 0.990 227 K HN 0.854 nan 8.250 nan 0.000 0.475 228 G N 4.636 113.439 108.800 0.004 0.000 2.437 228 G HA2 0.295 4.256 3.960 0.002 0.000 0.315 228 G HA3 0.295 4.256 3.960 0.002 0.000 0.315 228 G C -0.836 174.071 174.900 0.012 0.000 1.210 228 G CA -0.723 44.381 45.100 0.007 0.000 0.943 228 G HN 0.592 nan 8.290 nan 0.000 0.471 229 R N 2.583 123.084 120.500 0.002 0.000 2.246 229 R HA 0.170 4.511 4.340 0.002 0.000 0.332 229 R C -0.634 175.673 176.300 0.011 0.000 0.974 229 R CA -0.911 55.193 56.100 0.006 0.000 0.837 229 R CB 2.023 32.322 30.300 -0.001 0.000 1.145 229 R HN 0.430 nan 8.270 nan 0.000 0.467 230 L N 6.431 127.661 121.223 0.012 0.000 2.505 230 L HA 0.068 4.409 4.340 0.002 0.000 0.279 230 L C 1.162 178.037 176.870 0.009 0.000 1.211 230 L CA 0.504 55.349 54.840 0.008 0.000 1.059 230 L CB -0.186 41.873 42.059 -0.001 0.000 1.340 230 L HN 0.707 nan 8.230 nan 0.000 0.447 231 I N 0.446 121.026 120.570 0.017 0.000 2.716 231 I HA 0.160 4.331 4.170 0.002 0.000 0.259 231 I C 0.842 176.973 176.117 0.023 0.000 1.172 231 I CA 0.482 61.793 61.300 0.019 0.000 1.478 231 I CB -0.220 37.793 38.000 0.022 0.000 1.104 231 I HN 0.627 nan 8.210 nan 0.000 0.439 232 S N -0.303 115.415 115.700 0.030 0.000 2.579 232 S HA 0.496 4.967 4.470 0.002 0.000 0.272 232 S C -2.260 172.358 174.600 0.029 0.000 1.141 232 S CA -1.108 57.116 58.200 0.040 0.000 0.843 232 S CB 1.568 64.809 63.200 0.068 0.000 1.122 232 S HN -0.181 nan 8.310 nan 0.000 0.468 233 P HA -0.171 nan 4.420 nan 0.000 0.221 233 P C 0.292 177.439 177.300 -0.256 0.000 1.153 233 P CA 1.957 65.018 63.100 -0.065 0.000 0.858 233 P CB -0.241 31.499 31.700 0.066 0.000 0.783 234 H N -3.545 115.519 119.070 -0.010 0.000 3.398 234 H HA 0.279 4.836 4.556 0.002 0.000 0.260 234 H C 0.075 175.418 175.328 0.024 0.000 1.189 234 H CA -0.323 55.699 56.048 -0.044 0.000 1.145 234 H CB 0.363 30.078 29.762 -0.079 0.000 1.599 234 H HN 0.150 nan 8.280 nan 0.000 0.615 235 E N 1.324 121.603 120.200 0.131 0.000 2.151 235 E HA 0.435 4.786 4.350 0.002 0.000 0.275 235 E C -0.877 175.763 176.600 0.067 0.000 0.936 235 E CA -0.652 55.813 56.400 0.109 0.000 0.777 235 E CB 2.659 32.418 29.700 0.097 0.000 1.108 235 E HN -0.062 nan 8.360 nan 0.000 0.401 236 V N 4.104 124.061 119.914 0.071 0.000 2.376 236 V HA 0.133 4.254 4.120 0.002 0.000 0.287 236 V C -0.124 175.996 176.094 0.044 0.000 1.015 236 V CA -0.695 61.633 62.300 0.047 0.000 0.834 236 V CB 1.355 33.202 31.823 0.041 0.000 1.001 236 V HN 0.658 nan 8.190 nan 0.000 0.428 237 Q N 5.015 124.831 119.800 0.028 0.000 2.314 237 Q HA 0.621 4.962 4.340 0.002 0.000 0.258 237 Q C -0.775 175.224 176.000 -0.001 0.000 0.954 237 Q CA -0.324 55.489 55.803 0.016 0.000 0.890 237 Q CB 1.233 29.976 28.738 0.008 0.000 1.210 237 Q HN 0.856 nan 8.270 nan 0.000 0.410 238 I N 0.021 120.586 120.570 -0.009 0.000 2.582 238 I HA 0.512 4.684 4.170 0.002 0.000 0.292 238 I C -1.076 175.008 176.117 -0.054 0.000 1.066 238 I CA -0.769 60.513 61.300 -0.030 0.000 1.053 238 I CB 2.582 40.571 38.000 -0.017 0.000 1.241 238 I HN 0.303 nan 8.210 nan 0.000 0.421 239 T N 3.900 118.397 114.554 -0.096 0.000 2.809 239 T HA 0.379 4.730 4.350 0.002 0.000 0.296 239 T C -0.435 174.178 174.700 -0.144 0.000 1.015 239 T CA -0.513 61.514 62.100 -0.121 0.000 0.954 239 T CB 0.854 69.625 68.868 -0.161 0.000 0.950 239 T HN 0.827 nan 8.240 nan 0.000 0.450 240 D N 2.015 122.354 120.400 -0.102 0.000 2.398 240 D HA 0.230 4.871 4.640 0.002 0.000 0.264 240 D C 1.254 177.498 176.300 -0.093 0.000 1.263 240 D CA -0.742 53.202 54.000 -0.094 0.000 1.037 240 D CB 0.708 41.469 40.800 -0.066 0.000 1.101 240 D HN 0.184 nan 8.370 nan 0.000 0.551 241 K N -1.090 119.273 120.400 -0.061 0.000 2.189 241 K HA -0.200 4.121 4.320 0.002 0.000 0.207 241 K C -0.067 176.512 176.600 -0.035 0.000 1.046 241 K CA 1.829 58.095 56.287 -0.035 0.000 0.928 241 K CB -0.606 31.885 32.500 -0.014 0.000 0.720 241 K HN 0.509 nan 8.250 nan 0.000 0.458 242 N N 0.630 119.306 118.700 -0.040 0.000 2.757 242 N HA 0.007 4.748 4.740 0.002 0.000 0.296 242 N C -1.164 174.323 175.510 -0.039 0.000 1.874 242 N CA -0.442 52.589 53.050 -0.032 0.000 0.885 242 N CB 0.500 38.975 38.487 -0.020 0.000 1.242 242 N HN 0.009 nan 8.380 nan 0.000 0.488 243 Q N -1.276 118.491 119.800 -0.055 0.000 2.358 243 Q HA -0.283 4.058 4.340 0.002 0.000 0.318 243 Q C -0.957 175.016 176.000 -0.046 0.000 1.243 243 Q CA 1.199 56.967 55.803 -0.058 0.000 0.949 243 Q CB -1.610 27.101 28.738 -0.045 0.000 1.224 243 Q HN 0.418 nan 8.270 nan 0.000 0.473 244 K N 0.950 121.322 120.400 -0.046 0.000 2.213 244 K HA 0.578 4.899 4.320 0.002 0.000 0.270 244 K C -0.140 176.437 176.600 -0.038 0.000 1.002 244 K CA -0.725 55.541 56.287 -0.034 0.000 0.868 244 K CB 2.027 34.511 32.500 -0.027 0.000 1.093 244 K HN 0.111 nan 8.250 nan 0.000 0.454 245 V N 1.765 121.662 119.914 -0.029 0.000 2.630 245 V HA 0.560 4.681 4.120 0.002 0.000 0.305 245 V C 0.389 176.476 176.094 -0.013 0.000 1.046 245 V CA -0.524 61.761 62.300 -0.026 0.000 0.934 245 V CB 1.633 33.443 31.823 -0.023 0.000 1.003 245 V HN 0.997 nan 8.190 nan 0.000 0.451 246 S N 1.858 117.555 115.700 -0.006 0.000 3.070 246 S HA 0.779 5.250 4.470 0.002 0.000 0.320 246 S C -0.708 173.903 174.600 0.018 0.000 1.215 246 S CA -0.792 57.413 58.200 0.008 0.000 0.956 246 S CB 2.113 65.320 63.200 0.013 0.000 1.337 246 S HN 0.660 nan 8.310 nan 0.000 0.639 247 T N 1.263 115.838 114.554 0.035 0.000 2.982 247 T HA 0.639 4.990 4.350 0.002 0.000 0.321 247 T C -1.081 173.667 174.700 0.080 0.000 1.229 247 T CA -0.626 61.505 62.100 0.051 0.000 1.044 247 T CB 1.038 69.935 68.868 0.048 0.000 1.184 247 T HN 0.886 nan 8.240 nan 0.000 0.477 248 I N -0.380 120.256 120.570 0.110 0.000 2.785 248 I HA 0.853 5.024 4.170 0.002 0.000 0.302 248 I C -0.006 176.224 176.117 0.188 0.000 1.069 248 I CA -1.049 60.354 61.300 0.172 0.000 1.045 248 I CB 2.446 40.613 38.000 0.278 0.000 1.236 248 I HN 0.645 nan 8.210 nan 0.000 0.429 249 T N 0.867 115.556 114.554 0.225 0.000 2.929 249 T HA 0.853 5.205 4.350 0.002 0.000 0.284 249 T C -0.016 174.861 174.700 0.295 0.000 1.014 249 T CA -0.745 61.513 62.100 0.262 0.000 1.051 249 T CB 1.655 70.725 68.868 0.337 0.000 1.028 249 T HN 1.132 nan 8.240 nan 0.000 0.485 250 G N 0.875 109.781 108.800 0.177 0.000 2.753 250 G HA2 0.352 4.313 3.960 0.002 0.000 0.295 250 G HA3 0.352 4.313 3.960 0.002 0.000 0.295 250 G C 0.351 175.140 174.900 -0.184 0.000 1.437 250 G CA -0.711 44.450 45.100 0.103 0.000 1.094 250 G HN 0.625 nan 8.290 nan 0.000 0.540 251 N N 1.190 119.752 118.700 -0.231 0.000 2.007 251 N HA -0.085 4.657 4.740 0.002 0.000 0.197 251 N C 0.434 175.887 175.510 -0.095 0.000 1.050 251 N CA 1.245 54.103 53.050 -0.320 0.000 0.856 251 N CB 0.001 38.534 38.487 0.077 0.000 1.050 251 N HN 0.542 nan 8.380 nan 0.000 0.423 252 K N -0.163 120.267 120.400 0.050 0.000 2.316 252 K HA 0.455 4.776 4.320 0.002 0.000 0.251 252 K C -0.833 175.828 176.600 0.102 0.000 0.934 252 K CA -0.652 55.689 56.287 0.089 0.000 0.802 252 K CB 2.324 34.956 32.500 0.221 0.000 1.171 252 K HN 0.025 nan 8.250 nan 0.000 0.426 253 I N 3.689 124.305 120.570 0.076 0.000 2.433 253 I HA 0.397 4.568 4.170 0.002 0.000 0.292 253 I C -0.313 175.888 176.117 0.140 0.000 1.001 253 I CA -0.609 60.728 61.300 0.062 0.000 1.119 253 I CB 1.383 39.368 38.000 -0.024 0.000 1.289 253 I HN 0.560 nan 8.210 nan 0.000 0.438 254 I N 6.352 126.993 120.570 0.118 0.000 2.355 254 I HA 0.325 4.496 4.170 0.002 0.000 0.288 254 I C -0.374 175.791 176.117 0.080 0.000 0.999 254 I CA -0.532 60.844 61.300 0.126 0.000 1.163 254 I CB 1.636 39.704 38.000 0.113 0.000 1.316 254 I HN 0.287 nan 8.210 nan 0.000 0.454 255 L N 6.800 128.071 121.223 0.080 0.000 2.260 255 L HA 0.559 4.900 4.340 0.002 0.000 0.289 255 L C 0.420 177.327 176.870 0.060 0.000 1.057 255 L CA -0.123 54.751 54.840 0.058 0.000 0.811 255 L CB 1.189 43.275 42.059 0.045 0.000 1.184 255 L HN 0.725 nan 8.230 nan 0.000 0.429 256 A N 1.178 124.030 122.820 0.052 0.000 3.415 256 A HA 0.275 4.597 4.320 0.002 0.000 0.244 256 A C 0.706 178.320 177.584 0.049 0.000 0.988 256 A CA -0.218 51.849 52.037 0.049 0.000 0.991 256 A CB -0.017 19.007 19.000 0.039 0.000 1.240 256 A HN 0.720 nan 8.150 nan 0.000 0.541 257 T N -2.467 112.120 114.554 0.054 0.000 3.081 257 T HA 0.449 4.801 4.350 0.002 0.000 0.255 257 T C 1.240 175.980 174.700 0.067 0.000 1.113 257 T CA 0.842 62.979 62.100 0.062 0.000 1.082 257 T CB -0.225 68.680 68.868 0.061 0.000 0.939 257 T HN 2.162 nan 8.240 nan 0.000 0.506 258 G N 1.084 109.922 108.800 0.064 0.000 2.915 258 G HA2 -0.153 3.808 3.960 0.002 0.000 0.337 258 G HA3 -0.153 3.808 3.960 0.002 0.000 0.337 258 G C -0.724 174.221 174.900 0.074 0.000 1.477 258 G CA -0.508 44.635 45.100 0.071 0.000 0.916 258 G HN 0.607 nan 8.290 nan 0.000 0.550 259 E N -0.041 120.206 120.200 0.079 0.000 2.267 259 E HA 0.735 5.086 4.350 0.002 0.000 0.258 259 E C 0.416 177.072 176.600 0.093 0.000 1.074 259 E CA -0.917 55.529 56.400 0.078 0.000 0.915 259 E CB 0.832 30.575 29.700 0.072 0.000 1.186 259 E HN 0.437 nan 8.360 nan 0.000 0.439 260 R N 0.453 121.007 120.500 0.089 0.000 2.837 260 R HA 0.434 4.775 4.340 0.002 0.000 0.271 260 R C -2.670 173.680 176.300 0.084 0.000 0.993 260 R CA -2.509 53.655 56.100 0.106 0.000 0.931 260 R CB 0.974 31.342 30.300 0.113 0.000 1.206 260 R HN 0.342 nan 8.270 nan 0.000 0.474 261 P HA 0.181 nan 4.420 nan 0.000 0.276 261 P C -0.462 176.843 177.300 0.008 0.000 1.235 261 P CA -0.213 62.898 63.100 0.018 0.000 0.772 261 P CB 0.554 32.242 31.700 -0.021 0.000 0.871 262 K N 2.490 122.883 120.400 -0.011 0.000 2.319 262 K HA 0.183 4.504 4.320 0.002 0.000 0.265 262 K C -0.330 176.216 176.600 -0.091 0.000 1.000 262 K CA 0.321 56.611 56.287 0.005 0.000 0.943 262 K CB 0.192 32.695 32.500 0.006 0.000 0.950 262 K HN 0.422 nan 8.250 nan 0.000 0.485 263 Y N 0.609 120.848 120.300 -0.101 0.000 2.549 263 Y HA 0.329 4.880 4.550 0.002 0.000 0.339 263 Y C -1.866 173.909 175.900 -0.209 0.000 1.053 263 Y CA -2.054 55.904 58.100 -0.238 0.000 1.105 263 Y CB 1.420 39.719 38.460 -0.268 0.000 1.258 263 Y HN 0.505 nan 8.280 nan 0.000 0.478 264 P HA 0.209 nan 4.420 nan 0.000 0.284 264 P C -1.307 175.974 177.300 -0.031 0.000 1.258 264 P CA -0.778 62.293 63.100 -0.048 0.000 0.824 264 P CB 0.924 32.611 31.700 -0.022 0.000 1.038 265 E N 1.937 122.137 120.200 -0.001 0.000 1.802 265 E HA 0.318 4.669 4.350 0.002 0.000 0.265 265 E C -0.626 175.986 176.600 0.019 0.000 1.168 265 E CA -0.065 56.335 56.400 0.001 0.000 1.033 265 E CB -1.359 28.346 29.700 0.008 0.000 1.095 265 E HN 0.362 nan 8.360 nan 0.000 0.436 266 I N -0.273 120.307 120.570 0.016 0.000 2.775 266 I HA 0.587 4.758 4.170 0.002 0.000 0.295 266 I C -2.694 173.454 176.117 0.051 0.000 1.287 266 I CA -2.653 58.678 61.300 0.052 0.000 1.029 266 I CB 2.473 40.529 38.000 0.095 0.000 1.282 266 I HN 0.014 nan 8.210 nan 0.000 0.426 267 P HA 0.280 nan 4.420 nan 0.000 0.271 267 P C 0.744 178.134 177.300 0.150 0.000 1.216 267 P CA 0.887 64.035 63.100 0.079 0.000 0.771 267 P CB 1.321 33.069 31.700 0.079 0.000 0.864 268 G N 2.274 111.171 108.800 0.162 0.000 2.279 268 G HA2 -0.309 3.652 3.960 0.002 0.000 0.223 268 G HA3 -0.309 3.652 3.960 0.002 0.000 0.223 268 G C 1.105 176.161 174.900 0.260 0.000 1.015 268 G CA 0.691 45.999 45.100 0.346 0.000 0.621 268 G HN 0.689 nan 8.290 nan 0.000 0.506 269 A N 0.776 123.695 122.820 0.165 0.000 1.852 269 A HA 0.055 4.376 4.320 0.002 0.000 0.217 269 A C 2.911 180.524 177.584 0.049 0.000 1.215 269 A CA 4.108 56.205 52.037 0.101 0.000 0.641 269 A CB -1.266 17.615 19.000 -0.198 0.000 0.838 269 A HN 1.730 nan 8.150 nan 0.000 0.450 270 V N -2.197 117.545 119.914 -0.287 0.000 2.568 270 V HA -0.211 3.911 4.120 0.002 0.000 0.253 270 V C 1.900 177.842 176.094 -0.255 0.000 1.072 270 V CA 2.613 64.610 62.300 -0.504 0.000 1.084 270 V CB -1.082 30.358 31.823 -0.638 0.000 0.676 270 V HN 0.529 nan 8.190 nan 0.000 0.469 271 E N -0.099 119.927 120.200 -0.291 0.000 2.086 271 E HA 0.064 4.415 4.350 0.002 0.000 0.190 271 E C 1.751 178.013 176.600 -0.562 0.000 0.975 271 E CA 1.697 57.752 56.400 -0.575 0.000 0.813 271 E CB -0.206 28.883 29.700 -1.018 0.000 0.768 271 E HN 0.859 nan 8.360 nan 0.000 0.457 272 Y N -1.326 119.053 120.300 0.132 0.000 2.423 272 Y HA 0.402 4.953 4.550 0.002 0.000 0.257 272 Y C 1.114 177.131 175.900 0.196 0.000 1.087 272 Y CA -0.312 57.873 58.100 0.141 0.000 1.258 272 Y CB 0.884 39.413 38.460 0.116 0.000 1.237 272 Y HN -0.050 nan 8.280 nan 0.000 0.517 273 G N 1.247 110.309 108.800 0.437 0.000 2.461 273 G HA2 0.622 4.583 3.960 0.002 0.000 0.329 273 G HA3 0.622 4.583 3.960 0.002 0.000 0.329 273 G C -0.688 174.487 174.900 0.458 0.000 1.170 273 G CA -0.632 44.767 45.100 0.499 0.000 0.935 273 G HN 0.196 nan 8.290 nan 0.000 0.492 274 I N -1.917 118.823 120.570 0.283 0.000 3.067 274 I HA 0.863 5.034 4.170 0.002 0.000 0.312 274 I C 0.130 176.322 176.117 0.126 0.000 1.073 274 I CA -0.992 60.431 61.300 0.205 0.000 1.016 274 I CB 2.474 40.520 38.000 0.077 0.000 1.227 274 I HN 0.578 nan 8.210 nan 0.000 0.456 275 T N -1.210 113.375 114.554 0.051 0.000 2.927 275 T HA 0.300 4.651 4.350 0.002 0.000 0.286 275 T C 1.035 175.685 174.700 -0.084 0.000 1.040 275 T CA -0.084 61.985 62.100 -0.052 0.000 1.010 275 T CB 1.329 70.143 68.868 -0.090 0.000 1.177 275 T HN 0.816 nan 8.240 nan 0.000 0.546 276 S N 0.120 115.753 115.700 -0.111 0.000 2.420 276 S HA -0.199 4.272 4.470 0.002 0.000 0.237 276 S C 1.217 175.732 174.600 -0.142 0.000 1.023 276 S CA 1.515 59.600 58.200 -0.191 0.000 0.991 276 S CB -0.940 62.235 63.200 -0.042 0.000 0.792 276 S HN 0.714 nan 8.310 nan 0.000 0.488 277 D N 2.096 122.506 120.400 0.018 0.000 2.182 277 D HA -0.079 4.562 4.640 0.002 0.000 0.201 277 D C 1.484 177.865 176.300 0.136 0.000 0.986 277 D CA 1.379 55.445 54.000 0.110 0.000 0.847 277 D CB -0.367 40.619 40.800 0.310 0.000 0.942 277 D HN 0.563 nan 8.370 nan 0.000 0.467 278 D N -0.428 120.012 120.400 0.067 0.000 2.301 278 D HA -0.029 4.612 4.640 0.002 0.000 0.206 278 D C 2.152 178.440 176.300 -0.019 0.000 0.979 278 D CA -0.055 53.991 54.000 0.077 0.000 0.874 278 D CB 0.157 41.007 40.800 0.083 0.000 0.968 278 D HN 0.130 nan 8.370 nan 0.000 0.510 279 L N 0.495 121.598 121.223 -0.199 0.000 2.046 279 L HA -0.114 4.227 4.340 0.002 0.000 0.208 279 L C 1.525 178.337 176.870 -0.096 0.000 1.077 279 L CA 1.625 56.295 54.840 -0.283 0.000 0.747 279 L CB -0.648 41.068 42.059 -0.572 0.000 0.896 279 L HN -0.170 nan 8.230 nan 0.000 0.432 280 F N -0.626 119.406 119.950 0.137 0.000 2.802 280 F HA 0.093 4.621 4.527 0.002 0.000 0.300 280 F C 1.937 177.766 175.800 0.048 0.000 1.168 280 F CA 0.628 58.677 58.000 0.082 0.000 1.433 280 F CB -0.847 38.144 39.000 -0.016 0.000 1.115 280 F HN 0.292 nan 8.300 nan 0.000 0.582 281 S N -1.757 114.072 115.700 0.216 0.000 2.787 281 S HA 0.231 4.702 4.470 0.002 0.000 0.255 281 S C 0.185 174.889 174.600 0.172 0.000 1.051 281 S CA -0.392 57.910 58.200 0.171 0.000 1.124 281 S CB -0.281 63.027 63.200 0.180 0.000 1.104 281 S HN 0.053 nan 8.310 nan 0.000 0.623 282 L N 4.955 126.288 121.223 0.184 0.000 2.628 282 L HA 0.187 4.528 4.340 0.002 0.000 0.274 282 L C -1.247 175.754 176.870 0.218 0.000 1.209 282 L CA -0.898 53.982 54.840 0.067 0.000 0.930 282 L CB 0.418 42.390 42.059 -0.144 0.000 1.183 282 L HN 0.011 nan 8.230 nan 0.000 0.492 283 P HA -0.106 nan 4.420 nan 0.000 0.222 283 P C -0.516 177.020 177.300 0.395 0.000 1.153 283 P CA 0.887 64.155 63.100 0.279 0.000 0.798 283 P CB -0.090 31.755 31.700 0.240 0.000 0.796 284 Y N -1.769 118.692 120.300 0.268 0.000 2.376 284 Y HA 0.577 5.128 4.550 0.002 0.000 0.325 284 Y C 0.008 175.822 175.900 -0.143 0.000 1.199 284 Y CA -2.414 55.775 58.100 0.147 0.000 1.206 284 Y CB -0.076 38.424 38.460 0.067 0.000 1.229 284 Y HN -0.276 nan 8.280 nan 0.000 0.480 285 F N 5.221 125.012 119.950 -0.266 0.000 2.543 285 F HA 0.306 4.834 4.527 0.002 0.000 0.375 285 F C -1.653 173.913 175.800 -0.390 0.000 1.075 285 F CA -2.396 55.147 58.000 -0.761 0.000 1.225 285 F CB 0.922 39.730 39.000 -0.319 0.000 1.099 285 F HN 0.429 nan 8.300 nan 0.000 0.561 286 P HA -0.073 nan 4.420 nan 0.000 0.217 286 P C 0.613 177.684 177.300 -0.382 0.000 1.151 286 P CA 2.002 64.649 63.100 -0.755 0.000 0.849 286 P CB -0.332 30.790 31.700 -0.964 0.000 0.787 287 G N -0.888 107.662 108.800 -0.417 0.000 2.698 287 G HA2 -0.317 3.644 3.960 0.002 0.000 0.233 287 G HA3 -0.317 3.644 3.960 0.002 0.000 0.233 287 G C -0.400 174.503 174.900 0.005 0.000 1.352 287 G CA -0.207 44.929 45.100 0.061 0.000 0.879 287 G HN 0.464 nan 8.290 nan 0.000 0.567 288 K N 0.686 121.139 120.400 0.090 0.000 2.405 288 K HA 0.251 4.572 4.320 0.002 0.000 0.273 288 K C -0.013 176.674 176.600 0.145 0.000 1.116 288 K CA 1.202 57.568 56.287 0.130 0.000 1.155 288 K CB -0.512 32.061 32.500 0.122 0.000 0.858 288 K HN 0.542 nan 8.250 nan 0.000 0.477 289 T N 5.167 119.744 114.554 0.038 0.000 2.823 289 T HA 0.326 4.677 4.350 0.002 0.000 0.279 289 T C -0.873 173.628 174.700 -0.333 0.000 0.998 289 T CA -0.760 61.258 62.100 -0.137 0.000 0.994 289 T CB 1.102 69.812 68.868 -0.262 0.000 0.960 289 T HN 0.498 nan 8.240 nan 0.000 0.448 290 L N 4.267 125.094 121.223 -0.661 0.000 2.296 290 L HA 0.710 5.051 4.340 0.002 0.000 0.286 290 L C -1.100 175.405 176.870 -0.608 0.000 1.023 290 L CA -0.438 53.822 54.840 -0.967 0.000 0.812 290 L CB 1.133 42.242 42.059 -1.583 0.000 1.223 290 L HN 0.422 nan 8.230 nan 0.000 0.421 291 V N 7.013 126.626 119.914 -0.503 0.000 2.334 291 V HA 0.399 4.520 4.120 0.002 0.000 0.281 291 V C 0.105 175.988 176.094 -0.351 0.000 1.016 291 V CA -0.371 61.686 62.300 -0.404 0.000 0.832 291 V CB 1.303 32.926 31.823 -0.333 0.000 0.999 291 V HN 0.612 nan 8.190 nan 0.000 0.439 292 I N 5.306 125.674 120.570 -0.337 0.000 2.301 292 I HA 0.735 4.906 4.170 0.002 0.000 0.292 292 I C 0.859 176.902 176.117 -0.122 0.000 1.046 292 I CA 0.559 61.727 61.300 -0.220 0.000 1.282 292 I CB 0.785 38.681 38.000 -0.173 0.000 1.409 292 I HN 0.850 nan 8.210 nan 0.000 0.484 293 G N 4.251 112.993 108.800 -0.097 0.000 2.369 293 G HA2 0.389 4.350 3.960 0.002 0.000 0.307 293 G HA3 0.389 4.350 3.960 0.002 0.000 0.307 293 G C -0.731 174.158 174.900 -0.019 0.000 1.327 293 G CA -0.091 44.982 45.100 -0.046 0.000 0.963 293 G HN 0.642 nan 8.290 nan 0.000 0.590 294 A N -0.733 122.099 122.820 0.020 0.000 2.674 294 A HA 0.704 5.026 4.320 0.002 0.000 0.274 294 A C 1.083 178.722 177.584 0.092 0.000 1.065 294 A CA 1.363 53.440 52.037 0.067 0.000 0.978 294 A CB -0.425 18.625 19.000 0.083 0.000 1.242 294 A HN 2.299 nan 8.150 nan 0.000 0.583 295 S N -0.425 115.313 115.700 0.064 0.000 2.596 295 S HA 0.264 4.735 4.470 0.002 0.000 0.260 295 S C 1.180 175.829 174.600 0.081 0.000 1.336 295 S CA 0.280 58.538 58.200 0.096 0.000 0.993 295 S CB -0.061 63.134 63.200 -0.009 0.000 0.923 295 S HN 1.038 nan 8.310 nan 0.000 0.567 296 Y N 0.330 120.699 120.300 0.116 0.000 2.151 296 Y HA -0.118 4.433 4.550 0.002 0.000 0.284 296 Y C 1.822 177.773 175.900 0.086 0.000 1.166 296 Y CA 1.404 59.539 58.100 0.059 0.000 1.163 296 Y CB -1.463 37.021 38.460 0.041 0.000 0.974 296 Y HN 0.298 nan 8.280 nan 0.000 0.511 297 V N 1.450 121.062 119.914 -0.504 0.000 2.287 297 V HA -0.329 3.793 4.120 0.002 0.000 0.248 297 V C 2.943 178.986 176.094 -0.085 0.000 1.053 297 V CA 1.907 64.053 62.300 -0.256 0.000 1.027 297 V CB -1.613 30.013 31.823 -0.328 0.000 0.646 297 V HN 0.680 nan 8.190 nan 0.000 0.447 298 A N 0.026 122.785 122.820 -0.103 0.000 1.851 298 A HA -0.199 4.122 4.320 0.002 0.000 0.216 298 A C 2.236 179.781 177.584 -0.065 0.000 1.195 298 A CA 2.160 54.143 52.037 -0.089 0.000 0.622 298 A CB -0.649 18.309 19.000 -0.069 0.000 0.831 298 A HN 0.490 nan 8.150 nan 0.000 0.444 299 L N -0.959 120.266 121.223 0.004 0.000 1.994 299 L HA -0.218 4.123 4.340 0.002 0.000 0.208 299 L C 2.683 179.581 176.870 0.046 0.000 1.071 299 L CA 1.829 56.695 54.840 0.044 0.000 0.745 299 L CB -0.839 41.281 42.059 0.101 0.000 0.892 299 L HN 0.492 nan 8.230 nan 0.000 0.431 300 E N -0.389 119.871 120.200 0.100 0.000 2.049 300 E HA -0.261 4.091 4.350 0.002 0.000 0.198 300 E C 2.299 178.980 176.600 0.136 0.000 1.007 300 E CA 1.865 58.375 56.400 0.184 0.000 0.809 300 E CB -0.282 29.587 29.700 0.282 0.000 0.749 300 E HN 0.539 nan 8.360 nan 0.000 0.450 301 C N 0.596 119.896 119.300 0.000 0.000 2.425 301 C HA -0.064 4.397 4.460 0.002 0.000 0.277 301 C C 2.887 177.478 174.990 -0.665 0.000 1.280 301 C CA 0.678 59.437 59.018 -0.431 0.000 1.744 301 C CB -0.992 26.622 27.740 -0.210 0.000 1.989 301 C HN 0.514 nan 8.230 nan 0.000 0.491 302 A N 0.882 123.502 122.820 -0.335 0.000 1.930 302 A HA 0.120 4.441 4.320 0.002 0.000 0.217 302 A C 2.368 179.830 177.584 -0.203 0.000 1.175 302 A CA 1.967 53.833 52.037 -0.285 0.000 0.627 302 A CB -1.140 17.721 19.000 -0.231 0.000 0.815 302 A HN 0.530 nan 8.150 nan 0.000 0.443 303 G N 0.132 108.877 108.800 -0.093 0.000 2.453 303 G HA2 -0.204 3.757 3.960 0.002 0.000 0.215 303 G HA3 -0.204 3.757 3.960 0.002 0.000 0.215 303 G C 1.448 176.440 174.900 0.153 0.000 1.201 303 G CA 1.287 46.438 45.100 0.084 0.000 0.784 303 G HN 0.814 nan 8.290 nan 0.000 0.545 304 F N 0.217 120.287 119.950 0.199 0.000 2.325 304 F HA 0.294 4.822 4.527 0.002 0.000 0.299 304 F C 2.216 178.140 175.800 0.207 0.000 1.090 304 F CA 0.318 58.453 58.000 0.225 0.000 1.392 304 F CB -0.376 38.778 39.000 0.257 0.000 1.053 304 F HN 0.040 nan 8.300 nan 0.000 0.521 305 L N 0.896 121.961 121.223 -0.264 0.000 2.017 305 L HA -0.144 4.197 4.340 0.002 0.000 0.208 305 L C 3.032 179.965 176.870 0.104 0.000 1.073 305 L CA 1.191 55.994 54.840 -0.061 0.000 0.745 305 L CB -0.950 40.922 42.059 -0.312 0.000 0.894 305 L HN 0.375 nan 8.230 nan 0.000 0.432 306 A N -0.585 122.263 122.820 0.046 0.000 1.849 306 A HA -0.262 4.059 4.320 0.002 0.000 0.217 306 A C 2.453 180.138 177.584 0.168 0.000 1.202 306 A CA 2.381 54.480 52.037 0.103 0.000 0.629 306 A CB -0.961 18.093 19.000 0.090 0.000 0.834 306 A HN 0.390 nan 8.150 nan 0.000 0.447 307 S N -0.280 115.553 115.700 0.222 0.000 2.387 307 S HA -0.102 4.369 4.470 0.002 0.000 0.230 307 S C 1.372 176.070 174.600 0.163 0.000 1.035 307 S CA 1.341 59.688 58.200 0.245 0.000 1.014 307 S CB -0.468 62.943 63.200 0.353 0.000 0.836 307 S HN 0.457 nan 8.310 nan 0.000 0.466 308 L N 1.185 122.530 121.223 0.203 0.000 2.713 308 L HA 0.167 4.508 4.340 0.002 0.000 0.245 308 L C 1.349 178.324 176.870 0.174 0.000 1.169 308 L CA 0.146 55.069 54.840 0.138 0.000 0.962 308 L CB -0.843 41.391 42.059 0.293 0.000 1.161 308 L HN 0.471 nan 8.230 nan 0.000 0.427 309 G N -0.065 108.820 108.800 0.141 0.000 2.171 309 G HA2 -0.191 3.770 3.960 0.002 0.000 0.238 309 G HA3 -0.191 3.770 3.960 0.002 0.000 0.238 309 G C 0.321 175.312 174.900 0.152 0.000 1.039 309 G CA -0.115 45.038 45.100 0.088 0.000 0.759 309 G HN 0.549 nan 8.290 nan 0.000 0.501 310 G N -0.934 108.022 108.800 0.259 0.000 2.417 310 G HA2 0.542 4.503 3.960 0.002 0.000 0.334 310 G HA3 0.542 4.503 3.960 0.002 0.000 0.334 310 G C -0.867 174.124 174.900 0.151 0.000 1.150 310 G CA -0.163 45.122 45.100 0.310 0.000 0.923 310 G HN 0.187 nan 8.290 nan 0.000 0.485 311 D N 0.936 121.416 120.400 0.133 0.000 2.411 311 D HA 0.324 4.965 4.640 0.002 0.000 0.225 311 D C -0.609 175.731 176.300 0.067 0.000 1.156 311 D CA -0.025 54.030 54.000 0.093 0.000 0.874 311 D CB 1.281 42.141 40.800 0.100 0.000 1.034 311 D HN -0.036 nan 8.370 nan 0.000 0.502 312 V N 3.867 123.791 119.914 0.017 0.000 2.444 312 V HA 0.370 4.491 4.120 0.002 0.000 0.294 312 V C 0.216 176.242 176.094 -0.113 0.000 1.022 312 V CA -0.574 61.681 62.300 -0.075 0.000 0.850 312 V CB 2.027 33.772 31.823 -0.130 0.000 0.992 312 V HN 0.501 nan 8.190 nan 0.000 0.426 313 T N 4.032 118.492 114.554 -0.156 0.000 2.855 313 T HA 0.702 5.053 4.350 0.002 0.000 0.281 313 T C -0.528 173.940 174.700 -0.386 0.000 1.007 313 T CA -0.595 61.378 62.100 -0.211 0.000 1.009 313 T CB 1.977 70.840 68.868 -0.009 0.000 0.983 313 T HN 0.322 nan 8.240 nan 0.000 0.455 314 V N 3.265 122.901 119.914 -0.464 0.000 2.407 314 V HA 0.436 4.557 4.120 0.002 0.000 0.291 314 V C -0.250 175.672 176.094 -0.287 0.000 1.018 314 V CA -0.813 61.223 62.300 -0.440 0.000 0.842 314 V CB 1.594 33.059 31.823 -0.598 0.000 0.996 314 V HN 0.927 nan 8.190 nan 0.000 0.426 315 M N 5.724 125.159 119.600 -0.274 0.000 2.077 315 M HA 0.492 4.973 4.480 0.002 0.000 0.348 315 M C -1.180 175.038 176.300 -0.136 0.000 1.252 315 M CA -0.321 54.828 55.300 -0.251 0.000 1.096 315 M CB 0.974 33.357 32.600 -0.361 0.000 1.568 315 M HN 0.495 nan 8.290 nan 0.000 0.456 316 V N 6.570 126.452 119.914 -0.053 0.000 2.383 316 V HA 0.254 4.375 4.120 0.002 0.000 0.275 316 V C 1.099 177.171 176.094 -0.037 0.000 1.036 316 V CA -0.415 61.883 62.300 -0.003 0.000 0.889 316 V CB 1.112 32.980 31.823 0.075 0.000 0.985 316 V HN 0.970 nan 8.190 nan 0.000 0.459 317 R N 3.628 124.106 120.500 -0.037 0.000 2.103 317 R HA -0.169 4.172 4.340 0.002 0.000 0.234 317 R C 1.762 178.056 176.300 -0.011 0.000 1.132 317 R CA 2.641 58.719 56.100 -0.037 0.000 0.925 317 R CB 0.087 30.376 30.300 -0.019 0.000 0.842 317 R HN 0.853 nan 8.270 nan 0.000 0.430 318 S N -0.601 115.104 115.700 0.009 0.000 3.829 318 S HA 0.218 4.689 4.470 0.002 0.000 0.201 318 S C 0.752 175.364 174.600 0.019 0.000 1.005 318 S CA -0.227 57.983 58.200 0.017 0.000 0.935 318 S CB -0.128 63.084 63.200 0.020 0.000 1.181 318 S HN 0.408 nan 8.310 nan 0.000 0.622 319 I N 0.292 120.878 120.570 0.028 0.000 2.646 319 I HA 0.632 4.804 4.170 0.002 0.000 0.299 319 I C -1.102 175.045 176.117 0.049 0.000 1.036 319 I CA -1.422 59.895 61.300 0.028 0.000 1.074 319 I CB 1.693 39.711 38.000 0.029 0.000 1.258 319 I HN 0.192 nan 8.210 nan 0.000 0.430 320 L N 5.898 127.143 121.223 0.037 0.000 2.455 320 L HA 0.244 4.585 4.340 0.002 0.000 0.272 320 L C 0.073 177.008 176.870 0.108 0.000 1.174 320 L CA -0.417 54.460 54.840 0.062 0.000 0.869 320 L CB 0.338 42.404 42.059 0.012 0.000 1.130 320 L HN 0.620 nan 8.230 nan 0.000 0.474 321 L N 3.019 124.342 121.223 0.167 0.000 3.755 321 L HA -0.229 4.112 4.340 0.002 0.000 0.587 321 L C 0.647 177.731 176.870 0.356 0.000 1.235 321 L CA 0.217 55.248 54.840 0.319 0.000 0.876 321 L CB -1.241 40.973 42.059 0.257 0.000 1.431 321 L HN 0.694 nan 8.230 nan 0.000 0.840 322 R N 1.355 122.000 120.500 0.242 0.000 2.570 322 R HA 0.334 4.675 4.340 0.002 0.000 0.277 322 R C 1.444 177.816 176.300 0.120 0.000 1.039 322 R CA 1.249 57.442 56.100 0.154 0.000 1.065 322 R CB 0.511 30.870 30.300 0.098 0.000 0.964 322 R HN 0.629 nan 8.270 nan 0.000 0.428 323 G N 3.452 112.275 108.800 0.037 0.000 2.308 323 G HA2 -0.275 3.686 3.960 0.002 0.000 0.221 323 G HA3 -0.275 3.686 3.960 0.002 0.000 0.221 323 G C -0.177 174.628 174.900 -0.159 0.000 1.032 323 G CA -0.145 44.884 45.100 -0.119 0.000 0.623 323 G HN 0.510 nan 8.290 nan 0.000 0.506 324 F N 2.617 122.640 119.950 0.121 0.000 2.384 324 F HA 0.455 4.983 4.527 0.002 0.000 0.338 324 F C 0.861 176.741 175.800 0.133 0.000 1.103 324 F CA -0.669 57.435 58.000 0.174 0.000 1.157 324 F CB 0.812 39.963 39.000 0.251 0.000 1.167 324 F HN 0.075 nan 8.300 nan 0.000 0.529 325 D N 3.159 123.767 120.400 0.347 0.000 2.662 325 D HA -0.139 4.502 4.640 0.002 0.000 0.237 325 D C 0.855 177.199 176.300 0.072 0.000 1.154 325 D CA 0.300 54.384 54.000 0.139 0.000 0.861 325 D CB 0.844 41.633 40.800 -0.018 0.000 1.146 325 D HN 0.540 nan 8.370 nan 0.000 0.518 326 Q N 2.984 122.803 119.800 0.032 0.000 2.230 326 Q HA -0.169 4.172 4.340 0.002 0.000 0.202 326 Q C 1.711 177.680 176.000 -0.053 0.000 0.963 326 Q CA 0.834 56.641 55.803 0.006 0.000 0.866 326 Q CB -0.070 28.673 28.738 0.007 0.000 0.931 326 Q HN 0.715 nan 8.270 nan 0.000 0.452 327 Q N -0.430 119.326 119.800 -0.073 0.000 2.124 327 Q HA -0.133 4.209 4.340 0.002 0.000 0.202 327 Q C 1.771 177.674 176.000 -0.163 0.000 0.977 327 Q CA 0.975 56.711 55.803 -0.111 0.000 0.850 327 Q CB 0.177 28.860 28.738 -0.092 0.000 0.901 327 Q HN 0.254 nan 8.270 nan 0.000 0.429 328 M N -0.240 119.250 119.600 -0.183 0.000 2.175 328 M HA -0.075 4.407 4.480 0.002 0.000 0.264 328 M C 2.252 178.318 176.300 -0.390 0.000 1.063 328 M CA 1.380 56.467 55.300 -0.354 0.000 1.119 328 M CB -1.330 30.900 32.600 -0.616 0.000 1.377 328 M HN 0.272 nan 8.290 nan 0.000 0.415 329 A N 0.174 122.851 122.820 -0.238 0.000 1.933 329 A HA -0.206 4.115 4.320 0.002 0.000 0.218 329 A C 2.146 179.647 177.584 -0.138 0.000 1.175 329 A CA 1.993 53.938 52.037 -0.154 0.000 0.628 329 A CB -0.742 18.243 19.000 -0.026 0.000 0.814 329 A HN 0.608 nan 8.150 nan 0.000 0.444 330 E N 0.112 120.231 120.200 -0.136 0.000 2.051 330 E HA -0.219 4.132 4.350 0.002 0.000 0.192 330 E C 1.924 178.442 176.600 -0.137 0.000 0.991 330 E CA 1.558 57.876 56.400 -0.137 0.000 0.799 330 E CB -0.175 29.450 29.700 -0.125 0.000 0.748 330 E HN 0.594 nan 8.360 nan 0.000 0.449 331 K N 0.162 120.471 120.400 -0.152 0.000 2.026 331 K HA -0.116 4.205 4.320 0.002 0.000 0.208 331 K C 2.214 178.781 176.600 -0.056 0.000 1.048 331 K CA 1.417 57.632 56.287 -0.119 0.000 0.929 331 K CB -0.147 32.252 32.500 -0.168 0.000 0.713 331 K HN 0.036 nan 8.250 nan 0.000 0.439 332 V N 0.985 120.835 119.914 -0.107 0.000 2.282 332 V HA -0.275 3.847 4.120 0.002 0.000 0.249 332 V C 2.353 178.469 176.094 0.037 0.000 1.057 332 V CA 2.321 64.589 62.300 -0.053 0.000 1.032 332 V CB -1.034 30.718 31.823 -0.117 0.000 0.645 332 V HN 0.558 nan 8.190 nan 0.000 0.447 333 G N -0.632 108.142 108.800 -0.043 0.000 2.404 333 G HA2 -0.227 3.734 3.960 0.002 0.000 0.215 333 G HA3 -0.227 3.734 3.960 0.002 0.000 0.215 333 G C 1.210 176.052 174.900 -0.097 0.000 1.174 333 G CA 0.943 45.970 45.100 -0.121 0.000 0.780 333 G HN 0.512 nan 8.290 nan 0.000 0.537 334 D N -0.614 119.738 120.400 -0.080 0.000 2.182 334 D HA -0.124 4.517 4.640 0.002 0.000 0.201 334 D C 1.833 178.177 176.300 0.072 0.000 0.986 334 D CA 0.630 54.608 54.000 -0.037 0.000 0.847 334 D CB -0.305 40.468 40.800 -0.045 0.000 0.942 334 D HN 0.411 nan 8.370 nan 0.000 0.467 335 Y N 0.921 121.237 120.300 0.027 0.000 2.114 335 Y HA -0.227 4.324 4.550 0.002 0.000 0.284 335 Y C 2.395 178.403 175.900 0.180 0.000 1.143 335 Y CA 1.668 59.829 58.100 0.102 0.000 1.135 335 Y CB -0.229 38.268 38.460 0.062 0.000 0.980 335 Y HN -0.126 nan 8.280 nan 0.000 0.499 336 M N -0.181 119.622 119.600 0.338 0.000 2.108 336 M HA -0.255 4.226 4.480 0.002 0.000 0.261 336 M C 2.248 178.724 176.300 0.294 0.000 1.066 336 M CA 2.078 57.580 55.300 0.336 0.000 1.107 336 M CB -0.471 32.381 32.600 0.420 0.000 1.356 336 M HN 0.355 nan 8.290 nan 0.000 0.406 337 E N 0.642 121.015 120.200 0.288 0.000 2.038 337 E HA -0.208 4.143 4.350 0.002 0.000 0.195 337 E C 1.600 178.256 176.600 0.094 0.000 1.000 337 E CA 1.215 57.755 56.400 0.233 0.000 0.803 337 E CB 0.037 29.800 29.700 0.106 0.000 0.750 337 E HN 0.456 nan 8.360 nan 0.000 0.448 338 N N -0.035 118.677 118.700 0.020 0.000 2.443 338 N HA -0.120 4.621 4.740 0.002 0.000 0.184 338 N C 0.285 175.672 175.510 -0.206 0.000 1.037 338 N CA 0.922 53.921 53.050 -0.085 0.000 0.896 338 N CB -0.127 38.297 38.487 -0.105 0.000 0.959 338 N HN 0.251 nan 8.380 nan 0.000 0.442 339 H N -0.945 118.042 119.070 -0.139 0.000 2.490 339 H HA 0.357 4.914 4.556 0.002 0.000 0.285 339 H C 0.597 175.933 175.328 0.013 0.000 1.127 339 H CA 0.109 56.102 56.048 -0.092 0.000 0.993 339 H CB -0.041 29.629 29.762 -0.153 0.000 1.653 339 H HN 0.136 nan 8.280 nan 0.000 0.557 340 G N 0.695 109.534 108.800 0.064 0.000 2.289 340 G HA2 -0.227 3.734 3.960 0.002 0.000 0.280 340 G HA3 -0.227 3.734 3.960 0.002 0.000 0.280 340 G C -0.506 174.441 174.900 0.077 0.000 1.089 340 G CA 0.305 45.444 45.100 0.063 0.000 0.939 340 G HN 0.303 nan 8.290 nan 0.000 0.499 341 V N 0.753 120.726 119.914 0.099 0.000 2.407 341 V HA 0.399 4.520 4.120 0.002 0.000 0.291 341 V C 0.494 176.580 176.094 -0.013 0.000 1.018 341 V CA -0.953 61.347 62.300 0.001 0.000 0.842 341 V CB 1.685 33.498 31.823 -0.016 0.000 0.996 341 V HN 0.389 nan 8.190 nan 0.000 0.426 342 K N 4.592 124.938 120.400 -0.090 0.000 2.218 342 K HA 0.574 4.895 4.320 0.002 0.000 0.276 342 K C -1.217 175.277 176.600 -0.176 0.000 1.022 342 K CA -0.088 56.198 56.287 -0.000 0.000 0.946 342 K CB 1.103 33.630 32.500 0.045 0.000 1.000 342 K HN 0.444 nan 8.250 nan 0.000 0.468 343 F N 0.907 120.866 119.950 0.015 0.000 2.460 343 F HA 0.282 4.810 4.527 0.002 0.000 0.341 343 F C 0.197 175.995 175.800 -0.002 0.000 1.130 343 F CA -0.915 57.078 58.000 -0.012 0.000 0.962 343 F CB 1.712 40.707 39.000 -0.009 0.000 1.171 343 F HN 0.513 nan 8.300 nan 0.000 0.436 344 A N 5.376 128.234 122.820 0.063 0.000 2.671 344 A HA 0.358 4.679 4.320 0.002 0.000 0.306 344 A C 0.120 177.734 177.584 0.049 0.000 1.473 344 A CA -0.571 51.478 52.037 0.019 0.000 1.155 344 A CB -0.460 18.337 19.000 -0.339 0.000 1.123 344 A HN 0.754 nan 8.150 nan 0.000 0.545 345 K N 1.205 121.704 120.400 0.164 0.000 2.138 345 K HA 0.461 4.782 4.320 0.002 0.000 0.251 345 K C 0.041 176.719 176.600 0.131 0.000 1.015 345 K CA -0.695 55.663 56.287 0.119 0.000 0.917 345 K CB 0.552 33.105 32.500 0.088 0.000 1.021 345 K HN 0.560 nan 8.250 nan 0.000 0.485 346 L N 0.343 121.607 121.223 0.068 0.000 3.879 346 L HA -0.267 4.075 4.340 0.002 0.000 0.481 346 L C -0.623 176.263 176.870 0.028 0.000 1.232 346 L CA -0.103 54.774 54.840 0.061 0.000 0.736 346 L CB -1.381 40.733 42.059 0.092 0.000 1.511 346 L HN 0.718 nan 8.230 nan 0.000 0.830 347 C N 0.889 120.124 119.300 -0.107 0.000 2.782 347 C HA 0.841 5.302 4.460 0.002 0.000 0.328 347 C C -0.123 174.677 174.990 -0.316 0.000 1.145 347 C CA 0.031 58.855 59.018 -0.323 0.000 1.358 347 C CB 1.563 28.964 27.740 -0.565 0.000 1.841 347 C HN 0.334 nan 8.230 nan 0.000 0.477 348 V N 3.397 123.075 119.914 -0.394 0.000 2.962 348 V HA 0.841 4.962 4.120 0.002 0.000 0.313 348 V C -2.711 173.257 176.094 -0.211 0.000 1.099 348 V CA -1.794 60.346 62.300 -0.266 0.000 0.971 348 V CB 1.844 33.540 31.823 -0.211 0.000 1.028 348 V HN 0.800 nan 8.190 nan 0.000 0.430 349 P HA 0.484 nan 4.420 nan 0.000 0.281 349 P C -0.815 176.553 177.300 0.113 0.000 1.249 349 P CA 0.014 63.151 63.100 0.062 0.000 0.810 349 P CB 1.823 33.599 31.700 0.126 0.000 1.008 350 D N -0.125 120.369 120.400 0.157 0.000 2.626 350 D HA 0.074 4.715 4.640 0.002 0.000 0.274 350 D C 0.417 176.801 176.300 0.140 0.000 1.045 350 D CA 0.885 54.983 54.000 0.162 0.000 0.925 350 D CB 0.961 41.874 40.800 0.188 0.000 1.260 350 D HN 0.658 nan 8.370 nan 0.000 0.490 351 E N -0.456 119.832 120.200 0.147 0.000 2.409 351 E HA 0.537 4.888 4.350 0.002 0.000 0.280 351 E C -1.563 175.133 176.600 0.159 0.000 1.079 351 E CA -0.755 55.732 56.400 0.145 0.000 0.840 351 E CB 1.423 31.189 29.700 0.110 0.000 1.309 351 E HN -0.202 nan 8.360 nan 0.000 0.447 352 I N 0.836 121.515 120.570 0.183 0.000 2.533 352 I HA 0.424 4.595 4.170 0.002 0.000 0.290 352 I C -0.855 175.326 176.117 0.107 0.000 1.056 352 I CA -0.328 61.079 61.300 0.179 0.000 1.057 352 I CB 2.098 40.272 38.000 0.291 0.000 1.240 352 I HN 0.468 nan 8.210 nan 0.000 0.423 353 K N 4.609 124.988 120.400 -0.036 0.000 2.378 353 K HA 0.464 4.785 4.320 0.002 0.000 0.252 353 K C -0.916 175.455 176.600 -0.382 0.000 0.931 353 K CA -0.777 55.392 56.287 -0.197 0.000 0.794 353 K CB 1.733 34.173 32.500 -0.100 0.000 1.181 353 K HN 0.594 nan 8.250 nan 0.000 0.425 354 Q N 3.947 123.313 119.800 -0.723 0.000 2.296 354 Q HA 0.141 4.482 4.340 0.002 0.000 0.262 354 Q C -0.136 175.702 176.000 -0.270 0.000 0.981 354 Q CA 0.129 55.580 55.803 -0.588 0.000 0.905 354 Q CB 0.702 28.992 28.738 -0.746 0.000 1.186 354 Q HN 0.716 nan 8.270 nan 0.000 0.399 355 L N 2.501 123.619 121.223 -0.175 0.000 2.609 355 L HA 0.391 4.732 4.340 0.002 0.000 0.230 355 L C 0.476 177.296 176.870 -0.084 0.000 1.064 355 L CA 0.058 54.830 54.840 -0.112 0.000 0.873 355 L CB 0.380 42.381 42.059 -0.096 0.000 1.139 355 L HN 0.439 nan 8.230 nan 0.000 0.490 356 K N 0.656 121.008 120.400 -0.080 0.000 2.502 356 K HA 0.454 4.775 4.320 0.002 0.000 0.257 356 K C -1.390 175.182 176.600 -0.046 0.000 0.938 356 K CA -0.459 55.794 56.287 -0.057 0.000 0.819 356 K CB 3.344 35.812 32.500 -0.053 0.000 1.333 356 K HN -0.343 nan 8.250 nan 0.000 0.434 357 V N 2.741 122.638 119.914 -0.029 0.000 2.567 357 V HA 0.193 4.314 4.120 0.002 0.000 0.289 357 V C 0.308 176.381 176.094 -0.035 0.000 1.049 357 V CA -0.953 61.343 62.300 -0.006 0.000 0.969 357 V CB 1.679 33.510 31.823 0.014 0.000 0.995 357 V HN 0.468 nan 8.190 nan 0.000 0.471 358 V N 4.143 124.036 119.914 -0.036 0.000 2.479 358 V HA -0.054 4.068 4.120 0.002 0.000 0.284 358 V C 0.869 176.899 176.094 -0.106 0.000 0.981 358 V CA 0.232 62.461 62.300 -0.120 0.000 1.139 358 V CB -0.236 31.527 31.823 -0.100 0.000 0.947 358 V HN 0.894 nan 8.190 nan 0.000 0.468 359 D N 5.041 125.362 120.400 -0.133 0.000 2.380 359 D HA -0.038 4.604 4.640 0.002 0.000 0.270 359 D C 1.500 177.754 176.300 -0.076 0.000 1.363 359 D CA 0.522 54.471 54.000 -0.084 0.000 1.057 359 D CB 0.876 41.630 40.800 -0.078 0.000 1.096 359 D HN 0.785 nan 8.370 nan 0.000 0.524 360 T N 0.241 114.780 114.554 -0.025 0.000 3.148 360 T HA -0.039 4.312 4.350 0.002 0.000 0.253 360 T C 1.036 175.760 174.700 0.040 0.000 1.134 360 T CA 0.280 62.392 62.100 0.021 0.000 1.051 360 T CB -0.097 68.798 68.868 0.045 0.000 0.959 360 T HN 0.538 nan 8.240 nan 0.000 0.525 361 E N -0.043 120.171 120.200 0.025 0.000 2.562 361 E HA 0.269 4.620 4.350 0.002 0.000 0.214 361 E C 1.310 177.929 176.600 0.033 0.000 0.979 361 E CA -0.332 56.088 56.400 0.033 0.000 1.002 361 E CB 0.041 29.756 29.700 0.025 0.000 1.048 361 E HN 0.443 nan 8.360 nan 0.000 0.488 362 N N 0.653 119.369 118.700 0.026 0.000 2.159 362 N HA 0.087 4.828 4.740 0.002 0.000 0.217 362 N C -0.440 175.102 175.510 0.053 0.000 1.223 362 N CA -0.140 52.928 53.050 0.030 0.000 0.896 362 N CB 0.423 38.916 38.487 0.010 0.000 1.064 362 N HN -0.013 nan 8.380 nan 0.000 0.518 363 N N 1.677 120.421 118.700 0.073 0.000 2.740 363 N HA -0.142 4.599 4.740 0.002 0.000 0.248 363 N C -1.268 174.309 175.510 0.112 0.000 1.062 363 N CA 1.204 54.344 53.050 0.149 0.000 0.704 363 N CB -0.793 37.809 38.487 0.193 0.000 0.968 363 N HN 0.407 nan 8.380 nan 0.000 0.547 364 K N 0.082 120.446 120.400 -0.060 0.000 2.371 364 K HA 0.476 4.797 4.320 0.002 0.000 0.251 364 K C -2.229 174.113 176.600 -0.430 0.000 0.934 364 K CA -1.469 54.742 56.287 -0.126 0.000 0.798 364 K CB 2.899 35.365 32.500 -0.056 0.000 1.204 364 K HN -0.099 nan 8.250 nan 0.000 0.427 365 P HA 0.052 nan 4.420 nan 0.000 0.293 365 P C 0.045 177.191 177.300 -0.256 0.000 1.298 365 P CA -0.160 62.627 63.100 -0.521 0.000 0.757 365 P CB 0.544 32.181 31.700 -0.105 0.000 1.262 366 G N -0.905 107.803 108.800 -0.153 0.000 3.329 366 G HA2 0.504 4.465 3.960 0.002 0.000 0.180 366 G HA3 0.504 4.465 3.960 0.002 0.000 0.180 366 G C -1.080 173.790 174.900 -0.050 0.000 1.640 366 G CA -0.084 44.967 45.100 -0.082 0.000 1.018 366 G HN 0.529 nan 8.290 nan 0.000 0.581 367 L N -0.765 120.436 121.223 -0.037 0.000 2.787 367 L HA 0.500 4.841 4.340 0.002 0.000 0.260 367 L C -1.915 174.928 176.870 -0.045 0.000 0.921 367 L CA -0.597 54.221 54.840 -0.037 0.000 0.984 367 L CB 1.736 43.761 42.059 -0.056 0.000 1.519 367 L HN 0.243 nan 8.230 nan 0.000 0.452 368 L N 4.727 125.943 121.223 -0.012 0.000 2.386 368 L HA 0.573 4.914 4.340 0.002 0.000 0.271 368 L C -0.619 176.252 176.870 0.002 0.000 0.993 368 L CA -0.571 54.263 54.840 -0.010 0.000 0.819 368 L CB 1.687 43.782 42.059 0.059 0.000 1.294 368 L HN 0.643 nan 8.230 nan 0.000 0.414 369 L N 3.434 124.637 121.223 -0.034 0.000 2.257 369 L HA 0.473 4.815 4.340 0.002 0.000 0.290 369 L C -0.446 176.441 176.870 0.028 0.000 1.044 369 L CA -0.184 54.634 54.840 -0.036 0.000 0.810 369 L CB 1.302 43.319 42.059 -0.070 0.000 1.193 369 L HN 0.348 nan 8.230 nan 0.000 0.425 370 V N 5.911 125.864 119.914 0.065 0.000 2.304 370 V HA 0.310 4.431 4.120 0.002 0.000 0.269 370 V C 0.226 176.340 176.094 0.034 0.000 1.036 370 V CA -0.745 61.642 62.300 0.144 0.000 0.840 370 V CB 0.510 32.547 31.823 0.356 0.000 1.036 370 V HN 0.633 nan 8.190 nan 0.000 0.466 371 K N 3.360 123.798 120.400 0.063 0.000 2.234 371 K HA 0.677 4.998 4.320 0.002 0.000 0.282 371 K C 0.384 177.087 176.600 0.172 0.000 1.039 371 K CA -0.081 56.239 56.287 0.054 0.000 0.928 371 K CB 1.805 34.336 32.500 0.051 0.000 1.039 371 K HN 0.845 nan 8.250 nan 0.000 0.470 372 G N 1.604 110.542 108.800 0.230 0.000 2.677 372 G HA2 0.392 4.353 3.960 0.002 0.000 0.291 372 G HA3 0.392 4.353 3.960 0.002 0.000 0.291 372 G C -1.876 173.166 174.900 0.236 0.000 1.435 372 G CA -0.739 44.525 45.100 0.272 0.000 0.826 372 G HN 0.787 nan 8.290 nan 0.000 0.491 373 H N -1.515 117.589 119.070 0.056 0.000 2.690 373 H HA 0.754 5.312 4.556 0.002 0.000 0.368 373 H C -1.510 173.792 175.328 -0.044 0.000 1.150 373 H CA -1.061 55.022 56.048 0.058 0.000 1.174 373 H CB 1.471 31.282 29.762 0.081 0.000 1.684 373 H HN 0.453 nan 8.280 nan 0.000 0.538 374 Y N 0.677 121.054 120.300 0.129 0.000 2.334 374 Y HA 0.116 4.667 4.550 0.002 0.000 0.325 374 Y C 2.189 178.148 175.900 0.098 0.000 1.308 374 Y CA 0.065 58.190 58.100 0.042 0.000 1.389 374 Y CB 1.268 39.771 38.460 0.073 0.000 1.328 374 Y HN 0.934 nan 8.280 nan 0.000 0.532 375 T N 0.133 114.828 114.554 0.235 0.000 2.848 375 T HA -0.211 4.140 4.350 0.002 0.000 0.269 375 T C 1.040 175.849 174.700 0.182 0.000 1.081 375 T CA 2.227 64.429 62.100 0.169 0.000 1.125 375 T CB -0.379 68.559 68.868 0.118 0.000 0.848 375 T HN 0.804 nan 8.240 nan 0.000 0.503 376 D N -1.974 118.545 120.400 0.197 0.000 2.422 376 D HA 0.324 4.965 4.640 0.002 0.000 0.218 376 D C 1.516 177.906 176.300 0.151 0.000 1.047 376 D CA 1.047 55.130 54.000 0.139 0.000 0.885 376 D CB -0.257 40.599 40.800 0.093 0.000 1.035 376 D HN 0.458 nan 8.370 nan 0.000 0.502 377 G N -0.026 108.908 108.800 0.224 0.000 3.514 377 G HA2 -0.181 3.780 3.960 0.002 0.000 0.197 377 G HA3 -0.181 3.780 3.960 0.002 0.000 0.197 377 G C -0.354 174.689 174.900 0.238 0.000 1.098 377 G CA -0.256 44.959 45.100 0.192 0.000 0.884 377 G HN 0.304 nan 8.290 nan 0.000 0.433 378 K N 1.627 122.167 120.400 0.233 0.000 2.586 378 K HA 0.158 4.479 4.320 0.002 0.000 0.280 378 K C -0.404 176.434 176.600 0.397 0.000 0.972 378 K CA 0.561 56.997 56.287 0.249 0.000 1.040 378 K CB 0.345 32.934 32.500 0.149 0.000 0.870 378 K HN 0.115 nan 8.250 nan 0.000 0.497 379 K N 3.813 124.391 120.400 0.295 0.000 2.300 379 K HA 0.124 4.445 4.320 0.002 0.000 0.264 379 K C -0.370 176.401 176.600 0.286 0.000 1.083 379 K CA -0.522 55.934 56.287 0.281 0.000 0.958 379 K CB 0.278 32.878 32.500 0.167 0.000 1.318 379 K HN 0.475 nan 8.250 nan 0.000 0.448 380 F N 2.690 122.745 119.950 0.175 0.000 2.608 380 F HA -0.086 4.442 4.527 0.002 0.000 0.380 380 F C 0.340 176.182 175.800 0.071 0.000 1.083 380 F CA 0.794 58.859 58.000 0.107 0.000 1.266 380 F CB 0.461 39.349 39.000 -0.186 0.000 1.076 380 F HN 0.540 nan 8.300 nan 0.000 0.574 381 E N 4.883 124.604 120.200 -0.799 0.000 2.640 381 E HA 0.184 4.535 4.350 0.002 0.000 0.360 381 E C -1.680 174.543 176.600 -0.629 0.000 1.014 381 E CA -0.462 55.557 56.400 -0.635 0.000 0.757 381 E CB 0.679 30.231 29.700 -0.246 0.000 1.565 381 E HN 0.715 nan 8.360 nan 0.000 0.381 382 E N 1.464 121.207 120.200 -0.762 0.000 2.392 382 E HA 0.363 4.714 4.350 0.002 0.000 0.269 382 E C -1.296 175.003 176.600 -0.501 0.000 0.924 382 E CA -0.594 55.478 56.400 -0.547 0.000 0.784 382 E CB 1.601 31.005 29.700 -0.492 0.000 1.292 382 E HN 0.333 nan 8.360 nan 0.000 0.447 383 E N 1.182 121.010 120.200 -0.621 0.000 2.204 383 E HA 0.558 4.909 4.350 0.002 0.000 0.276 383 E C -0.819 175.267 176.600 -0.856 0.000 0.974 383 E CA -0.490 55.615 56.400 -0.491 0.000 0.815 383 E CB 1.330 30.851 29.700 -0.299 0.000 1.119 383 E HN 0.226 nan 8.360 nan 0.000 0.393 384 F N 0.318 120.240 119.950 -0.047 0.000 2.581 384 F HA 0.188 4.716 4.527 0.002 0.000 0.311 384 F C 1.158 176.930 175.800 -0.047 0.000 1.113 384 F CA -0.662 57.311 58.000 -0.044 0.000 0.935 384 F CB 1.805 40.776 39.000 -0.048 0.000 1.232 384 F HN 0.455 nan 8.300 nan 0.000 0.445 385 E N 0.388 120.667 120.200 0.132 0.000 2.110 385 E HA -0.051 4.300 4.350 0.002 0.000 0.193 385 E C 0.095 176.734 176.600 0.064 0.000 0.988 385 E CA 1.440 57.877 56.400 0.062 0.000 0.804 385 E CB 0.213 29.940 29.700 0.045 0.000 0.745 385 E HN 0.670 nan 8.360 nan 0.000 0.458 386 T N -2.002 112.583 114.554 0.052 0.000 2.868 386 T HA 0.561 4.912 4.350 0.002 0.000 0.306 386 T C -0.691 173.955 174.700 -0.090 0.000 1.224 386 T CA -0.988 61.117 62.100 0.009 0.000 1.012 386 T CB 2.261 71.126 68.868 -0.005 0.000 1.221 386 T HN -0.191 nan 8.240 nan 0.000 0.499 387 V N 1.807 121.637 119.914 -0.141 0.000 2.588 387 V HA 0.573 4.695 4.120 0.002 0.000 0.304 387 V C -0.718 175.105 176.094 -0.451 0.000 1.042 387 V CA -0.843 61.253 62.300 -0.340 0.000 0.877 387 V CB 1.493 33.112 31.823 -0.339 0.000 0.996 387 V HN 0.862 nan 8.190 nan 0.000 0.425 388 I N 4.557 124.801 120.570 -0.542 0.000 2.410 388 I HA 0.475 4.646 4.170 0.002 0.000 0.286 388 I C -0.989 174.815 176.117 -0.520 0.000 1.009 388 I CA -0.279 60.752 61.300 -0.448 0.000 1.111 388 I CB 1.442 39.246 38.000 -0.326 0.000 1.262 388 I HN 0.390 nan 8.210 nan 0.000 0.443 389 F N 4.892 124.718 119.950 -0.206 0.000 2.420 389 F HA 0.598 5.126 4.527 0.002 0.000 0.352 389 F C 0.682 176.344 175.800 -0.231 0.000 1.108 389 F CA -0.450 57.412 58.000 -0.229 0.000 1.162 389 F CB 1.377 40.183 39.000 -0.322 0.000 1.118 389 F HN 0.501 nan 8.300 nan 0.000 0.510 390 A N 2.795 125.601 122.820 -0.023 0.000 3.156 390 A HA 0.527 4.848 4.320 0.002 0.000 0.311 390 A C -0.135 177.426 177.584 -0.039 0.000 1.129 390 A CA -0.434 51.564 52.037 -0.064 0.000 0.809 390 A CB 0.080 19.017 19.000 -0.105 0.000 1.257 390 A HN 0.783 nan 8.150 nan 0.000 0.491 391 V N -1.217 118.685 119.914 -0.019 0.000 3.121 391 V HA 0.677 4.798 4.120 0.002 0.000 0.344 391 V C 0.651 176.747 176.094 0.002 0.000 1.390 391 V CA 0.227 62.528 62.300 0.000 0.000 1.177 391 V CB -0.723 31.111 31.823 0.018 0.000 1.163 391 V HN 2.162 nan 8.190 nan 0.000 0.484 392 G N 0.807 109.601 108.800 -0.009 0.000 2.541 392 G HA2 0.007 3.968 3.960 0.002 0.000 0.686 392 G HA3 0.007 3.968 3.960 0.002 0.000 0.686 392 G C -0.799 174.104 174.900 0.005 0.000 1.286 392 G CA -0.722 44.383 45.100 0.009 0.000 0.894 392 G HN 0.592 nan 8.290 nan 0.000 0.575 393 R N 0.317 120.833 120.500 0.026 0.000 2.575 393 R HA 0.512 4.853 4.340 0.002 0.000 0.293 393 R C -0.179 176.148 176.300 0.045 0.000 0.983 393 R CA -0.727 55.394 56.100 0.035 0.000 0.887 393 R CB 2.040 32.368 30.300 0.047 0.000 1.184 393 R HN 0.841 nan 8.270 nan 0.000 0.445 394 E N 3.579 123.807 120.200 0.047 0.000 2.204 394 E HA 0.441 4.792 4.350 0.002 0.000 0.276 394 E C -2.450 174.180 176.600 0.052 0.000 0.974 394 E CA -2.362 54.066 56.400 0.046 0.000 0.815 394 E CB 1.672 31.398 29.700 0.044 0.000 1.119 394 E HN 0.149 nan 8.360 nan 0.000 0.393 395 P HA 0.037 nan 4.420 nan 0.000 0.276 395 P C -0.915 176.411 177.300 0.044 0.000 1.230 395 P CA -0.235 62.893 63.100 0.047 0.000 0.776 395 P CB 0.679 32.403 31.700 0.039 0.000 0.888 396 Q N 2.234 122.064 119.800 0.049 0.000 2.916 396 Q HA 0.266 4.607 4.340 0.002 0.000 0.314 396 Q C 1.030 177.057 176.000 0.043 0.000 1.194 396 Q CA -0.214 55.617 55.803 0.046 0.000 1.079 396 Q CB 0.092 28.862 28.738 0.053 0.000 1.322 396 Q HN 0.439 nan 8.270 nan 0.000 0.500 397 L N -0.118 121.126 121.223 0.035 0.000 2.313 397 L HA -0.115 4.226 4.340 0.002 0.000 0.214 397 L C 2.121 179.007 176.870 0.026 0.000 1.119 397 L CA 0.907 55.765 54.840 0.031 0.000 0.809 397 L CB -0.001 42.072 42.059 0.024 0.000 0.933 397 L HN 0.495 nan 8.230 nan 0.000 0.449 398 S N -0.949 114.766 115.700 0.025 0.000 2.507 398 S HA -0.154 4.318 4.470 0.002 0.000 0.235 398 S C 1.698 176.312 174.600 0.024 0.000 0.988 398 S CA 0.701 58.914 58.200 0.021 0.000 0.944 398 S CB -0.206 63.005 63.200 0.018 0.000 0.762 398 S HN 0.407 nan 8.310 nan 0.000 0.526 399 K N 0.052 120.472 120.400 0.034 0.000 2.393 399 K HA 0.291 4.612 4.320 0.002 0.000 0.193 399 K C 0.886 177.511 176.600 0.042 0.000 1.026 399 K CA 0.337 56.649 56.287 0.041 0.000 1.064 399 K CB 0.493 33.029 32.500 0.060 0.000 0.833 399 K HN 0.304 nan 8.250 nan 0.000 0.521 400 V N -0.107 119.829 119.914 0.036 0.000 3.103 400 V HA 0.090 4.211 4.120 0.002 0.000 0.229 400 V C -0.045 176.063 176.094 0.022 0.000 1.304 400 V CA -0.104 62.217 62.300 0.035 0.000 1.298 400 V CB 0.495 32.345 31.823 0.044 0.000 1.093 400 V HN 0.079 nan 8.190 nan 0.000 0.489 401 L N 1.512 122.747 121.223 0.018 0.000 2.288 401 L HA 0.453 4.794 4.340 0.002 0.000 0.283 401 L C 0.061 176.935 176.870 0.008 0.000 1.072 401 L CA -0.147 54.699 54.840 0.010 0.000 0.862 401 L CB 0.500 42.564 42.059 0.008 0.000 1.245 401 L HN 0.318 nan 8.230 nan 0.000 0.432 402 C N 4.181 123.485 119.300 0.007 0.000 2.601 402 C HA -0.047 4.414 4.460 0.002 0.000 0.405 402 C C 2.050 177.043 174.990 0.004 0.000 1.441 402 C CA 0.233 59.255 59.018 0.006 0.000 1.555 402 C CB -0.805 26.939 27.740 0.007 0.000 2.450 402 C HN 1.028 nan 8.230 nan 0.000 0.614 403 E N 1.984 122.187 120.200 0.004 0.000 2.169 403 E HA -0.261 4.090 4.350 0.002 0.000 0.202 403 E C 1.921 178.522 176.600 0.002 0.000 1.016 403 E CA 2.133 58.535 56.400 0.003 0.000 0.817 403 E CB 0.163 29.865 29.700 0.003 0.000 0.736 403 E HN 0.980 nan 8.360 nan 0.000 0.462 404 T N -2.421 112.136 114.554 0.004 0.000 3.051 404 T HA -0.030 4.321 4.350 0.002 0.000 0.269 404 T C 1.750 176.452 174.700 0.003 0.000 1.127 404 T CA 0.846 62.949 62.100 0.005 0.000 1.107 404 T CB 0.030 68.903 68.868 0.008 0.000 0.898 404 T HN 0.018 nan 8.240 nan 0.000 0.517 405 V N 1.101 121.015 119.914 -0.000 0.000 2.453 405 V HA 0.247 4.368 4.120 0.002 0.000 0.247 405 V C 2.083 178.170 176.094 -0.012 0.000 1.048 405 V CA 1.049 63.346 62.300 -0.005 0.000 1.049 405 V CB -1.478 30.337 31.823 -0.012 0.000 0.672 405 V HN 0.832 nan 8.190 nan 0.000 0.457 406 G N 0.581 109.374 108.800 -0.012 0.000 2.325 406 G HA2 -0.166 3.795 3.960 0.002 0.000 0.248 406 G HA3 -0.166 3.795 3.960 0.002 0.000 0.248 406 G C -0.226 174.659 174.900 -0.025 0.000 1.108 406 G CA -0.042 45.049 45.100 -0.015 0.000 0.881 406 G HN 0.455 nan 8.290 nan 0.000 0.494 407 V N 0.736 120.635 119.914 -0.025 0.000 2.350 407 V HA 0.369 4.491 4.120 0.002 0.000 0.276 407 V C 0.968 177.049 176.094 -0.022 0.000 1.028 407 V CA -0.769 61.512 62.300 -0.031 0.000 0.860 407 V CB 1.576 33.380 31.823 -0.032 0.000 0.990 407 V HN 0.483 nan 8.190 nan 0.000 0.453 408 K N 5.557 125.943 120.400 -0.024 0.000 2.412 408 K HA 0.307 4.629 4.320 0.002 0.000 0.284 408 K C -0.688 175.903 176.600 -0.014 0.000 1.046 408 K CA -0.138 56.139 56.287 -0.017 0.000 0.999 408 K CB 0.235 32.723 32.500 -0.019 0.000 0.941 408 K HN 0.599 nan 8.250 nan 0.000 0.474 409 L N 3.523 124.741 121.223 -0.008 0.000 2.352 409 L HA 0.330 4.671 4.340 0.002 0.000 0.269 409 L C 0.422 177.289 176.870 -0.005 0.000 1.034 409 L CA -1.158 53.679 54.840 -0.005 0.000 0.806 409 L CB 1.190 43.249 42.059 0.000 0.000 1.244 409 L HN 0.800 nan 8.230 nan 0.000 0.447 410 D N 0.254 120.651 120.400 -0.005 0.000 2.539 410 D HA 0.151 4.792 4.640 0.002 0.000 0.276 410 D C 0.662 176.962 176.300 -0.001 0.000 1.206 410 D CA -0.589 53.408 54.000 -0.005 0.000 1.081 410 D CB 0.614 41.408 40.800 -0.009 0.000 1.142 410 D HN 0.344 nan 8.370 nan 0.000 0.595 411 K N -0.801 119.599 120.400 -0.001 0.000 2.163 411 K HA -0.234 4.087 4.320 0.002 0.000 0.210 411 K C 0.803 177.406 176.600 0.005 0.000 1.048 411 K CA 2.129 58.417 56.287 0.002 0.000 0.928 411 K CB -0.444 32.056 32.500 0.001 0.000 0.716 411 K HN 0.442 nan 8.250 nan 0.000 0.459 412 N N -1.488 117.216 118.700 0.006 0.000 2.204 412 N HA 0.120 4.861 4.740 0.002 0.000 0.219 412 N C -0.019 175.498 175.510 0.013 0.000 1.151 412 N CA 0.357 53.414 53.050 0.011 0.000 0.867 412 N CB 1.756 40.250 38.487 0.011 0.000 1.043 412 N HN 0.248 nan 8.380 nan 0.000 0.516 413 G N 1.162 109.969 108.800 0.010 0.000 2.182 413 G HA2 -0.299 3.662 3.960 0.002 0.000 0.248 413 G HA3 -0.299 3.662 3.960 0.002 0.000 0.248 413 G C -0.218 174.690 174.900 0.014 0.000 1.042 413 G CA -0.271 44.837 45.100 0.013 0.000 0.775 413 G HN 0.258 nan 8.290 nan 0.000 0.501 414 R N -0.725 119.780 120.500 0.009 0.000 2.637 414 R HA 0.527 4.868 4.340 0.002 0.000 0.291 414 R C 0.273 176.573 176.300 0.000 0.000 0.963 414 R CA -0.924 55.181 56.100 0.008 0.000 0.901 414 R CB 2.125 32.428 30.300 0.005 0.000 1.160 414 R HN 0.092 nan 8.270 nan 0.000 0.457 415 V N 3.901 123.817 119.914 0.002 0.000 2.450 415 V HA 0.014 4.135 4.120 0.002 0.000 0.281 415 V C 0.461 176.547 176.094 -0.013 0.000 1.019 415 V CA -0.225 62.073 62.300 -0.004 0.000 1.062 415 V CB 0.717 32.542 31.823 0.003 0.000 0.979 415 V HN 0.438 nan 8.190 nan 0.000 0.477 416 V N 5.560 125.463 119.914 -0.018 0.000 2.479 416 V HA 0.149 4.270 4.120 0.002 0.000 0.281 416 V C 0.406 176.485 176.094 -0.026 0.000 1.031 416 V CA -0.030 62.255 62.300 -0.025 0.000 1.038 416 V CB 0.234 32.043 31.823 -0.023 0.000 0.981 416 V HN 1.045 nan 8.190 nan 0.000 0.478 417 C N 3.489 122.773 119.300 -0.028 0.000 2.719 417 C HA 0.760 5.222 4.460 0.002 0.000 0.327 417 C C 0.892 175.873 174.990 -0.014 0.000 1.238 417 C CA -0.650 58.360 59.018 -0.013 0.000 1.727 417 C CB 1.905 29.650 27.740 0.009 0.000 2.256 417 C HN 0.939 nan 8.230 nan 0.000 0.489 418 T N -1.386 113.174 114.554 0.010 0.000 2.788 418 T HA 0.187 4.538 4.350 0.002 0.000 0.280 418 T C 0.816 175.534 174.700 0.030 0.000 0.984 418 T CA 0.004 62.115 62.100 0.018 0.000 0.972 418 T CB 0.460 69.349 68.868 0.035 0.000 1.039 418 T HN 0.798 nan 8.240 nan 0.000 0.530 419 D N -0.229 120.192 120.400 0.035 0.000 2.378 419 D HA -0.109 4.532 4.640 0.002 0.000 0.227 419 D C 0.589 176.959 176.300 0.117 0.000 1.012 419 D CA 0.270 54.306 54.000 0.060 0.000 0.905 419 D CB -0.280 40.557 40.800 0.062 0.000 0.895 419 D HN 0.820 nan 8.370 nan 0.000 0.532 420 D N 0.383 120.850 120.400 0.113 0.000 2.643 420 D HA 0.058 4.699 4.640 0.002 0.000 0.244 420 D C -0.249 176.161 176.300 0.183 0.000 1.257 420 D CA -0.480 53.600 54.000 0.134 0.000 0.831 420 D CB 0.207 41.076 40.800 0.115 0.000 1.043 420 D HN -0.171 nan 8.370 nan 0.000 0.488 421 E N -0.197 120.107 120.200 0.173 0.000 3.170 421 E HA -0.245 4.106 4.350 0.002 0.000 0.284 421 E C -0.177 176.615 176.600 0.321 0.000 0.967 421 E CA 0.609 57.133 56.400 0.208 0.000 0.919 421 E CB -1.794 28.024 29.700 0.196 0.000 1.469 421 E HN 0.605 nan 8.360 nan 0.000 0.444 422 Q N 0.875 120.822 119.800 0.245 0.000 2.279 422 Q HA 0.299 4.640 4.340 0.002 0.000 0.256 422 Q C 0.382 176.341 176.000 -0.067 0.000 0.937 422 Q CA 0.376 56.203 55.803 0.040 0.000 0.933 422 Q CB 0.770 29.520 28.738 0.020 0.000 1.189 422 Q HN 0.321 nan 8.270 nan 0.000 0.417 423 T N -0.195 114.259 114.554 -0.166 0.000 2.788 423 T HA 0.101 4.452 4.350 0.002 0.000 0.280 423 T C 1.438 176.063 174.700 -0.125 0.000 0.984 423 T CA 0.059 62.089 62.100 -0.117 0.000 0.972 423 T CB 0.921 69.723 68.868 -0.110 0.000 1.039 423 T HN 0.737 nan 8.240 nan 0.000 0.530 424 T N -1.313 113.190 114.554 -0.084 0.000 2.833 424 T HA -0.028 4.323 4.350 0.002 0.000 0.269 424 T C 0.992 175.644 174.700 -0.081 0.000 1.054 424 T CA 0.574 62.633 62.100 -0.069 0.000 1.135 424 T CB -0.714 68.127 68.868 -0.044 0.000 0.869 424 T HN 0.460 nan 8.240 nan 0.000 0.466 425 V N 3.772 123.626 119.914 -0.100 0.000 2.421 425 V HA 0.148 4.270 4.120 0.002 0.000 0.271 425 V C 1.862 177.850 176.094 -0.177 0.000 1.031 425 V CA 0.227 62.459 62.300 -0.113 0.000 1.032 425 V CB 0.391 32.147 31.823 -0.112 0.000 1.009 425 V HN 0.701 nan 8.190 nan 0.000 0.477 426 S N 3.952 119.566 115.700 -0.143 0.000 2.419 426 S HA -0.217 4.254 4.470 0.002 0.000 0.235 426 S C 1.478 175.917 174.600 -0.269 0.000 1.019 426 S CA 1.530 59.628 58.200 -0.170 0.000 0.982 426 S CB -0.406 62.748 63.200 -0.077 0.000 0.789 426 S HN 0.917 nan 8.310 nan 0.000 0.490 427 N N 1.022 119.569 118.700 -0.254 0.000 2.373 427 N HA 0.042 4.783 4.740 0.002 0.000 0.181 427 N C -0.027 175.261 175.510 -0.369 0.000 1.082 427 N CA 0.068 52.961 53.050 -0.261 0.000 0.885 427 N CB -0.106 38.252 38.487 -0.216 0.000 0.977 427 N HN 0.351 nan 8.380 nan 0.000 0.462 428 V N 1.842 121.501 119.914 -0.425 0.000 2.439 428 V HA 0.306 4.427 4.120 0.002 0.000 0.282 428 V C -0.891 174.918 176.094 -0.475 0.000 1.039 428 V CA -0.511 61.601 62.300 -0.313 0.000 0.913 428 V CB 0.470 32.179 31.823 -0.190 0.000 0.983 428 V HN 0.064 nan 8.190 nan 0.000 0.460 429 Y N 2.126 122.411 120.300 -0.024 0.000 2.524 429 Y HA 0.785 5.336 4.550 0.002 0.000 0.344 429 Y C 0.273 176.177 175.900 0.006 0.000 1.012 429 Y CA -0.772 57.325 58.100 -0.004 0.000 1.068 429 Y CB 2.117 40.582 38.460 0.008 0.000 1.249 429 Y HN 0.678 nan 8.280 nan 0.000 0.468 430 A N 3.111 126.031 122.820 0.166 0.000 2.371 430 A HA 0.890 5.211 4.320 0.002 0.000 0.311 430 A C -1.181 176.469 177.584 0.111 0.000 1.068 430 A CA -0.675 51.425 52.037 0.106 0.000 0.744 430 A CB 0.699 19.733 19.000 0.057 0.000 1.239 430 A HN 0.756 nan 8.150 nan 0.000 0.435 431 I N -0.719 119.907 120.570 0.094 0.000 2.769 431 I HA 0.940 5.111 4.170 0.002 0.000 0.298 431 I C 0.394 176.558 176.117 0.078 0.000 1.128 431 I CA -0.004 61.353 61.300 0.095 0.000 1.031 431 I CB 2.128 40.182 38.000 0.090 0.000 1.235 431 I HN 1.749 nan 8.210 nan 0.000 0.423 432 G N 3.929 112.784 108.800 0.091 0.000 2.516 432 G HA2 -0.213 3.748 3.960 0.002 0.000 0.220 432 G HA3 -0.213 3.748 3.960 0.002 0.000 0.220 432 G C 0.009 174.953 174.900 0.073 0.000 1.165 432 G CA 0.405 45.552 45.100 0.078 0.000 1.013 432 G HN 0.679 nan 8.290 nan 0.000 0.590 433 D N 0.793 121.232 120.400 0.064 0.000 2.218 433 D HA -0.035 4.606 4.640 0.002 0.000 0.204 433 D C 2.570 178.899 176.300 0.048 0.000 0.976 433 D CA 1.618 55.655 54.000 0.062 0.000 0.853 433 D CB -0.176 40.665 40.800 0.068 0.000 0.939 433 D HN 0.633 nan 8.370 nan 0.000 0.481 434 I N -1.779 118.818 120.570 0.045 0.000 2.480 434 I HA -0.014 4.157 4.170 0.002 0.000 0.251 434 I C 0.892 177.021 176.117 0.020 0.000 1.124 434 I CA 0.044 61.365 61.300 0.035 0.000 1.444 434 I CB -0.515 37.508 38.000 0.038 0.000 1.098 434 I HN -0.241 nan 8.210 nan 0.000 0.428 435 N N 3.381 122.093 118.700 0.021 0.000 2.394 435 N HA 0.013 4.754 4.740 0.002 0.000 0.277 435 N C 0.010 175.497 175.510 -0.039 0.000 1.346 435 N CA 0.584 53.630 53.050 -0.007 0.000 0.910 435 N CB 0.414 38.902 38.487 0.001 0.000 1.201 435 N HN 0.449 nan 8.380 nan 0.000 0.488 436 A N 3.032 125.827 122.820 -0.041 0.000 2.531 436 A HA 0.418 4.739 4.320 0.002 0.000 0.236 436 A C 1.489 179.027 177.584 -0.077 0.000 1.062 436 A CA 0.380 52.391 52.037 -0.043 0.000 0.760 436 A CB -0.390 18.590 19.000 -0.034 0.000 0.995 436 A HN 1.278 nan 8.150 nan 0.000 0.501 437 G N 1.002 109.767 108.800 -0.058 0.000 2.168 437 G HA2 -0.219 3.742 3.960 0.002 0.000 0.257 437 G HA3 -0.219 3.742 3.960 0.002 0.000 0.257 437 G C 0.137 174.975 174.900 -0.104 0.000 0.997 437 G CA 0.798 45.856 45.100 -0.070 0.000 0.708 437 G HN 0.740 nan 8.290 nan 0.000 0.520 438 K N 0.192 120.526 120.400 -0.109 0.000 2.156 438 K HA 0.524 4.845 4.320 0.002 0.000 0.254 438 K C -2.512 174.103 176.600 0.025 0.000 0.950 438 K CA -2.386 53.835 56.287 -0.109 0.000 0.849 438 K CB 1.264 33.638 32.500 -0.211 0.000 1.100 438 K HN -0.031 nan 8.250 nan 0.000 0.434 439 P HA 0.045 nan 4.420 nan 0.000 0.263 439 P C -0.711 176.634 177.300 0.075 0.000 1.195 439 P CA 0.077 63.214 63.100 0.062 0.000 0.762 439 P CB 0.285 32.025 31.700 0.066 0.000 0.799 440 Q N 3.222 123.060 119.800 0.063 0.000 2.681 440 Q HA 0.338 4.679 4.340 0.002 0.000 0.222 440 Q C -0.440 175.610 176.000 0.083 0.000 1.258 440 Q CA -0.046 55.806 55.803 0.083 0.000 1.014 440 Q CB -0.090 28.709 28.738 0.101 0.000 1.384 440 Q HN 0.453 nan 8.270 nan 0.000 0.570 441 L N -0.533 120.725 121.223 0.059 0.000 2.393 441 L HA 0.352 4.693 4.340 0.002 0.000 0.260 441 L C 1.186 178.071 176.870 0.026 0.000 1.002 441 L CA -0.628 54.235 54.840 0.038 0.000 0.818 441 L CB 1.949 44.011 42.059 0.005 0.000 1.369 441 L HN 0.217 nan 8.230 nan 0.000 0.412 442 T N 0.808 115.375 114.554 0.021 0.000 2.595 442 T HA -0.099 4.252 4.350 0.002 0.000 0.264 442 T C -1.127 173.562 174.700 -0.018 0.000 1.058 442 T CA 1.936 64.038 62.100 0.004 0.000 1.166 442 T CB -0.655 68.216 68.868 0.004 0.000 0.863 442 T HN 0.486 nan 8.240 nan 0.000 0.415 443 P HA -0.025 nan 4.420 nan 0.000 0.220 443 P C 1.440 178.686 177.300 -0.090 0.000 1.144 443 P CA 0.535 63.603 63.100 -0.054 0.000 0.800 443 P CB -0.185 31.484 31.700 -0.051 0.000 0.772 444 V N 0.299 120.169 119.914 -0.074 0.000 2.244 444 V HA -0.229 3.892 4.120 0.002 0.000 0.244 444 V C 2.467 178.517 176.094 -0.073 0.000 1.042 444 V CA 2.267 64.508 62.300 -0.098 0.000 1.006 444 V CB -1.725 30.088 31.823 -0.015 0.000 0.641 444 V HN 0.099 nan 8.190 nan 0.000 0.446 445 A N -0.408 122.403 122.820 -0.014 0.000 2.024 445 A HA -0.191 4.130 4.320 0.002 0.000 0.220 445 A C 2.148 179.717 177.584 -0.026 0.000 1.164 445 A CA 1.985 54.024 52.037 0.002 0.000 0.643 445 A CB -0.595 18.413 19.000 0.014 0.000 0.806 445 A HN 0.557 nan 8.150 nan 0.000 0.451 446 I N -1.564 118.976 120.570 -0.050 0.000 2.333 446 I HA -0.192 3.979 4.170 0.002 0.000 0.246 446 I C 2.669 178.740 176.117 -0.077 0.000 1.106 446 I CA 1.459 62.728 61.300 -0.052 0.000 1.411 446 I CB -0.195 37.778 38.000 -0.045 0.000 1.082 446 I HN 0.386 nan 8.210 nan 0.000 0.420 447 Q N 1.237 120.941 119.800 -0.159 0.000 2.079 447 Q HA -0.163 4.178 4.340 0.002 0.000 0.200 447 Q C 2.221 178.036 176.000 -0.308 0.000 0.974 447 Q CA 2.124 57.736 55.803 -0.319 0.000 0.840 447 Q CB -0.208 28.241 28.738 -0.481 0.000 0.898 447 Q HN 0.482 nan 8.270 nan 0.000 0.430 448 A N 0.014 122.710 122.820 -0.206 0.000 1.865 448 A HA -0.130 4.191 4.320 0.002 0.000 0.217 448 A C 2.275 179.868 177.584 0.014 0.000 1.191 448 A CA 1.837 53.829 52.037 -0.075 0.000 0.623 448 A CB -1.621 17.404 19.000 0.042 0.000 0.826 448 A HN 0.577 nan 8.150 nan 0.000 0.444 449 G N -0.647 108.161 108.800 0.015 0.000 2.480 449 G HA2 -0.255 3.707 3.960 0.002 0.000 0.216 449 G HA3 -0.255 3.707 3.960 0.002 0.000 0.216 449 G C 1.751 176.697 174.900 0.077 0.000 1.200 449 G CA 0.965 46.090 45.100 0.040 0.000 0.782 449 G HN 0.549 nan 8.290 nan 0.000 0.554 450 R N -0.860 119.698 120.500 0.097 0.000 2.094 450 R HA -0.136 4.205 4.340 0.002 0.000 0.239 450 R C 2.421 178.860 176.300 0.233 0.000 1.137 450 R CA 1.677 57.878 56.100 0.167 0.000 0.943 450 R CB -0.722 29.692 30.300 0.191 0.000 0.850 450 R HN 0.417 nan 8.270 nan 0.000 0.433 451 Y N 0.824 121.113 120.300 -0.018 0.000 2.207 451 Y HA -0.206 4.345 4.550 0.002 0.000 0.287 451 Y C 2.199 178.067 175.900 -0.052 0.000 1.156 451 Y CA 0.764 58.844 58.100 -0.034 0.000 1.182 451 Y CB -0.724 37.709 38.460 -0.046 0.000 0.979 451 Y HN 0.055 nan 8.280 nan 0.000 0.521 452 L N 0.214 121.498 121.223 0.101 0.000 1.976 452 L HA -0.146 4.195 4.340 0.002 0.000 0.209 452 L C 2.442 179.269 176.870 -0.072 0.000 1.071 452 L CA 2.183 56.996 54.840 -0.044 0.000 0.746 452 L CB -1.408 40.604 42.059 -0.079 0.000 0.890 452 L HN 0.117 nan 8.230 nan 0.000 0.432 453 A N -0.347 122.497 122.820 0.042 0.000 1.927 453 A HA -0.294 4.027 4.320 0.002 0.000 0.220 453 A C 2.425 180.065 177.584 0.092 0.000 1.185 453 A CA 2.302 54.443 52.037 0.173 0.000 0.639 453 A CB -0.648 18.478 19.000 0.210 0.000 0.820 453 A HN 0.574 nan 8.150 nan 0.000 0.451 454 R N -1.120 119.363 120.500 -0.029 0.000 2.066 454 R HA -0.060 4.281 4.340 0.002 0.000 0.232 454 R C 2.545 178.707 176.300 -0.230 0.000 1.131 454 R CA 1.341 57.313 56.100 -0.213 0.000 0.955 454 R CB -0.339 29.841 30.300 -0.200 0.000 0.851 454 R HN 0.499 nan 8.270 nan 0.000 0.432 455 R N 0.715 121.111 120.500 -0.174 0.000 2.094 455 R HA -0.168 4.173 4.340 0.002 0.000 0.239 455 R C 2.379 178.525 176.300 -0.257 0.000 1.137 455 R CA 1.647 57.645 56.100 -0.171 0.000 0.943 455 R CB -0.624 29.599 30.300 -0.129 0.000 0.850 455 R HN 0.202 nan 8.270 nan 0.000 0.433 456 L N -0.778 120.220 121.223 -0.375 0.000 1.937 456 L HA -0.148 4.193 4.340 0.002 0.000 0.213 456 L C 2.062 178.578 176.870 -0.590 0.000 1.077 456 L CA 1.499 55.960 54.840 -0.632 0.000 0.758 456 L CB -0.551 40.825 42.059 -1.139 0.000 0.888 456 L HN 0.107 nan 8.230 nan 0.000 0.433 457 F N -0.717 119.130 119.950 -0.171 0.000 2.765 457 F HA 0.224 4.752 4.527 0.002 0.000 0.302 457 F C 1.775 177.397 175.800 -0.296 0.000 1.111 457 F CA 0.483 58.392 58.000 -0.152 0.000 1.359 457 F CB -0.263 38.715 39.000 -0.036 0.000 1.097 457 F HN 0.016 nan 8.300 nan 0.000 0.577 458 A N -0.705 121.913 122.820 -0.336 0.000 2.456 458 A HA 0.552 4.873 4.320 0.002 0.000 0.237 458 A C 1.820 179.231 177.584 -0.288 0.000 1.217 458 A CA 0.442 52.168 52.037 -0.518 0.000 0.962 458 A CB -0.429 17.913 19.000 -1.096 0.000 1.079 458 A HN 0.424 nan 8.150 nan 0.000 0.536 459 G N -0.561 108.098 108.800 -0.236 0.000 2.153 459 G HA2 0.059 4.020 3.960 0.002 0.000 0.252 459 G HA3 0.059 4.020 3.960 0.002 0.000 0.252 459 G C 0.590 175.544 174.900 0.090 0.000 0.994 459 G CA 0.548 45.566 45.100 -0.136 0.000 0.698 459 G HN 1.656 nan 8.290 nan 0.000 0.521 460 A N -0.640 122.156 122.820 -0.040 0.000 2.386 460 A HA 0.716 5.037 4.320 0.002 0.000 0.246 460 A C 1.604 179.211 177.584 0.039 0.000 1.089 460 A CA 1.475 53.498 52.037 -0.024 0.000 0.790 460 A CB 0.363 19.272 19.000 -0.151 0.000 1.042 460 A HN 1.523 nan 8.150 nan 0.000 0.497 461 T N -1.812 112.753 114.554 0.018 0.000 2.978 461 T HA 0.172 4.523 4.350 0.002 0.000 0.248 461 T C 0.560 175.258 174.700 -0.003 0.000 1.018 461 T CA 0.504 62.628 62.100 0.040 0.000 1.026 461 T CB -0.397 68.483 68.868 0.021 0.000 1.032 461 T HN 0.713 nan 8.240 nan 0.000 0.485 462 E N 1.461 121.626 120.200 -0.059 0.000 2.417 462 E HA 0.320 4.671 4.350 0.002 0.000 0.261 462 E C -0.558 176.072 176.600 0.050 0.000 1.000 462 E CA -0.280 56.097 56.400 -0.039 0.000 0.919 462 E CB 0.262 29.884 29.700 -0.131 0.000 0.955 462 E HN 0.433 nan 8.360 nan 0.000 0.455 463 L N 2.836 124.137 121.223 0.129 0.000 2.431 463 L HA 0.322 4.663 4.340 0.002 0.000 0.260 463 L C 0.518 177.544 176.870 0.260 0.000 1.098 463 L CA -0.920 54.033 54.840 0.188 0.000 0.800 463 L CB 1.123 43.265 42.059 0.138 0.000 1.210 463 L HN 0.458 nan 8.230 nan 0.000 0.465 464 T N 0.034 114.665 114.554 0.129 0.000 2.814 464 T HA 0.047 4.398 4.350 0.002 0.000 0.297 464 T C -0.288 174.295 174.700 -0.196 0.000 0.956 464 T CA -0.250 61.726 62.100 -0.206 0.000 1.123 464 T CB 0.361 68.936 68.868 -0.487 0.000 0.902 464 T HN 0.411 nan 8.240 nan 0.000 0.528 465 D N 1.863 122.130 120.400 -0.223 0.000 2.317 465 D HA 0.090 4.731 4.640 0.002 0.000 0.252 465 D C -0.244 175.919 176.300 -0.227 0.000 1.174 465 D CA -0.218 53.716 54.000 -0.110 0.000 0.866 465 D CB 0.557 41.322 40.800 -0.058 0.000 1.127 465 D HN 0.575 nan 8.370 nan 0.000 0.467 466 Y N 1.074 121.357 120.300 -0.028 0.000 2.485 466 Y HA 0.060 4.611 4.550 0.002 0.000 0.260 466 Y C 1.116 177.000 175.900 -0.027 0.000 1.173 466 Y CA -0.383 57.697 58.100 -0.033 0.000 1.252 466 Y CB 0.443 38.889 38.460 -0.024 0.000 1.123 466 Y HN 0.236 nan 8.280 nan 0.000 0.524 467 S N 0.015 115.768 115.700 0.089 0.000 2.457 467 S HA 0.269 4.741 4.470 0.002 0.000 0.289 467 S C 0.096 174.707 174.600 0.017 0.000 1.163 467 S CA -0.579 57.654 58.200 0.056 0.000 1.078 467 S CB 0.378 63.610 63.200 0.053 0.000 0.987 467 S HN 0.588 nan 8.310 nan 0.000 0.482 468 N N -0.213 118.494 118.700 0.012 0.000 2.815 468 N HA -0.122 4.619 4.740 0.002 0.000 0.248 468 N C -0.860 174.632 175.510 -0.029 0.000 1.110 468 N CA 0.274 53.319 53.050 -0.010 0.000 0.699 468 N CB -1.483 36.998 38.487 -0.011 0.000 1.040 468 N HN 0.522 nan 8.380 nan 0.000 0.555 469 V N 0.953 120.851 119.914 -0.026 0.000 2.446 469 V HA 0.368 4.489 4.120 0.002 0.000 0.276 469 V C 1.145 177.208 176.094 -0.052 0.000 1.030 469 V CA 0.122 62.396 62.300 -0.043 0.000 1.033 469 V CB 0.846 32.651 31.823 -0.031 0.000 0.993 469 V HN 0.357 nan 8.190 nan 0.000 0.477 470 A N 5.203 127.985 122.820 -0.064 0.000 2.386 470 A HA 0.672 4.993 4.320 0.002 0.000 0.248 470 A C 0.612 178.145 177.584 -0.084 0.000 1.082 470 A CA 0.081 52.069 52.037 -0.082 0.000 0.789 470 A CB 0.303 19.254 19.000 -0.081 0.000 1.025 470 A HN 0.976 nan 8.150 nan 0.000 0.490 471 T N -1.506 112.978 114.554 -0.117 0.000 2.887 471 T HA 0.793 5.144 4.350 0.002 0.000 0.292 471 T C -0.577 173.969 174.700 -0.257 0.000 1.087 471 T CA -0.656 61.361 62.100 -0.138 0.000 1.009 471 T CB 1.850 70.686 68.868 -0.054 0.000 1.203 471 T HN 0.564 nan 8.240 nan 0.000 0.518 472 T N 1.339 115.696 114.554 -0.329 0.000 3.170 472 T HA 0.427 4.778 4.350 0.002 0.000 0.315 472 T C -0.429 173.851 174.700 -0.699 0.000 0.967 472 T CA -0.594 61.161 62.100 -0.575 0.000 1.024 472 T CB 1.131 69.590 68.868 -0.682 0.000 1.018 472 T HN 0.687 nan 8.240 nan 0.000 0.449 473 V N 3.999 123.578 119.914 -0.558 0.000 2.508 473 V HA 0.285 4.406 4.120 0.002 0.000 0.281 473 V C -0.115 175.728 176.094 -0.417 0.000 1.041 473 V CA -0.111 61.980 62.300 -0.348 0.000 1.016 473 V CB -0.090 31.601 31.823 -0.220 0.000 0.984 473 V HN 0.818 nan 8.190 nan 0.000 0.478 474 F N 3.374 123.260 119.950 -0.106 0.000 2.611 474 F HA 0.266 4.793 4.527 0.002 0.000 0.321 474 F C 1.311 176.851 175.800 -0.435 0.000 1.208 474 F CA -0.525 57.277 58.000 -0.330 0.000 1.249 474 F CB -0.011 38.757 39.000 -0.387 0.000 1.514 474 F HN 0.578 nan 8.300 nan 0.000 0.561 475 T N -2.025 112.480 114.554 -0.082 0.000 2.788 475 T HA 0.187 4.539 4.350 0.002 0.000 0.280 475 T C -1.538 173.222 174.700 0.101 0.000 0.984 475 T CA -1.681 60.435 62.100 0.026 0.000 0.972 475 T CB 0.827 69.727 68.868 0.053 0.000 1.039 475 T HN -0.041 nan 8.240 nan 0.000 0.530 476 P HA -0.036 nan 4.420 nan 0.000 0.216 476 P C 0.204 177.523 177.300 0.031 0.000 1.157 476 P CA 0.749 63.970 63.100 0.201 0.000 0.880 476 P CB 0.005 31.855 31.700 0.250 0.000 0.791 477 L N -0.107 120.987 121.223 -0.217 0.000 2.280 477 L HA 0.246 4.587 4.340 0.002 0.000 0.287 477 L C 0.040 176.838 176.870 -0.119 0.000 1.023 477 L CA -0.665 53.979 54.840 -0.327 0.000 0.819 477 L CB 0.641 42.158 42.059 -0.903 0.000 1.212 477 L HN -0.140 nan 8.230 nan 0.000 0.420 478 E N 3.209 123.401 120.200 -0.013 0.000 2.390 478 E HA 0.082 4.433 4.350 0.002 0.000 0.261 478 E C -1.490 175.118 176.600 0.013 0.000 1.076 478 E CA -0.024 56.359 56.400 -0.027 0.000 0.905 478 E CB 0.829 30.525 29.700 -0.007 0.000 0.984 478 E HN 0.457 nan 8.360 nan 0.000 0.427 479 Y N 0.904 121.079 120.300 -0.209 0.000 2.426 479 Y HA 0.444 4.995 4.550 0.002 0.000 0.325 479 Y C -0.400 175.402 175.900 -0.163 0.000 0.989 479 Y CA -1.081 56.933 58.100 -0.144 0.000 1.284 479 Y CB 0.929 39.303 38.460 -0.143 0.000 1.104 479 Y HN 0.496 nan 8.280 nan 0.000 0.481 480 G N 3.336 111.996 108.800 -0.233 0.000 2.356 480 G HA2 0.719 4.680 3.960 0.002 0.000 0.322 480 G HA3 0.719 4.680 3.960 0.002 0.000 0.322 480 G C -1.473 173.194 174.900 -0.389 0.000 1.125 480 G CA -0.349 44.549 45.100 -0.337 0.000 0.885 480 G HN 0.999 nan 8.290 nan 0.000 0.467 481 A N 0.310 122.880 122.820 -0.417 0.000 2.547 481 A HA 0.629 4.950 4.320 0.002 0.000 0.297 481 A C -1.036 176.392 177.584 -0.259 0.000 1.056 481 A CA -0.540 51.277 52.037 -0.368 0.000 0.688 481 A CB 1.541 20.327 19.000 -0.357 0.000 1.282 481 A HN 1.562 nan 8.150 nan 0.000 0.400 482 C N 2.379 121.500 119.300 -0.298 0.000 2.571 482 C HA 0.804 5.265 4.460 0.002 0.000 0.343 482 C C 0.669 175.556 174.990 -0.172 0.000 1.082 482 C CA 1.255 60.163 59.018 -0.183 0.000 1.339 482 C CB -0.235 27.426 27.740 -0.132 0.000 1.893 482 C HN 2.828 nan 8.230 nan 0.000 0.445 483 G N 4.799 113.545 108.800 -0.090 0.000 2.451 483 G HA2 -0.063 3.898 3.960 0.002 0.000 0.208 483 G HA3 -0.063 3.898 3.960 0.002 0.000 0.208 483 G C -0.976 173.947 174.900 0.039 0.000 1.248 483 G CA -0.410 44.673 45.100 -0.028 0.000 0.989 483 G HN 0.950 nan 8.290 nan 0.000 0.559 484 L N 1.690 122.964 121.223 0.084 0.000 2.416 484 L HA 0.462 4.803 4.340 0.002 0.000 0.272 484 L C 1.767 178.790 176.870 0.257 0.000 1.161 484 L CA 0.208 55.133 54.840 0.141 0.000 0.845 484 L CB 1.194 43.330 42.059 0.129 0.000 1.119 484 L HN 1.008 nan 8.230 nan 0.000 0.464 485 S N 1.673 117.514 115.700 0.234 0.000 2.606 485 S HA 0.000 4.472 4.470 0.002 0.000 0.257 485 S C 0.903 175.563 174.600 0.100 0.000 1.327 485 S CA -0.219 58.096 58.200 0.191 0.000 0.984 485 S CB 0.980 64.257 63.200 0.128 0.000 0.941 485 S HN 0.764 nan 8.310 nan 0.000 0.576 486 E N 0.663 120.865 120.200 0.003 0.000 2.046 486 E HA -0.150 4.201 4.350 0.002 0.000 0.190 486 E C 1.895 178.508 176.600 0.022 0.000 0.982 486 E CA 1.159 57.564 56.400 0.008 0.000 0.800 486 E CB -0.211 29.470 29.700 -0.033 0.000 0.756 486 E HN 0.879 nan 8.360 nan 0.000 0.449 487 E N 0.286 120.496 120.200 0.015 0.000 2.515 487 E HA -0.182 4.169 4.350 0.002 0.000 0.201 487 E C 0.342 176.960 176.600 0.030 0.000 1.071 487 E CA 0.801 57.211 56.400 0.018 0.000 0.880 487 E CB 0.158 29.865 29.700 0.012 0.000 0.828 487 E HN 0.245 nan 8.360 nan 0.000 0.540 488 D N 0.419 120.849 120.400 0.050 0.000 2.455 488 D HA 0.202 4.843 4.640 0.002 0.000 0.228 488 D C 1.727 178.083 176.300 0.093 0.000 1.070 488 D CA 1.011 55.046 54.000 0.058 0.000 0.881 488 D CB 0.174 41.012 40.800 0.065 0.000 1.087 488 D HN 0.241 nan 8.370 nan 0.000 0.498 489 A N 0.976 123.865 122.820 0.115 0.000 1.898 489 A HA -0.061 4.260 4.320 0.002 0.000 0.216 489 A C 2.199 179.889 177.584 0.177 0.000 1.181 489 A CA 0.852 52.994 52.037 0.174 0.000 0.620 489 A CB -0.607 18.462 19.000 0.115 0.000 0.819 489 A HN 0.150 nan 8.150 nan 0.000 0.442 490 I N -0.730 119.896 120.570 0.094 0.000 2.252 490 I HA -0.182 3.990 4.170 0.002 0.000 0.245 490 I C 2.444 178.591 176.117 0.049 0.000 1.102 490 I CA 1.279 62.620 61.300 0.067 0.000 1.385 490 I CB -0.355 37.663 38.000 0.030 0.000 1.064 490 I HN 0.290 nan 8.210 nan 0.000 0.414 491 E N 1.236 121.455 120.200 0.032 0.000 2.267 491 E HA -0.241 4.110 4.350 0.002 0.000 0.197 491 E C 1.927 178.505 176.600 -0.036 0.000 0.998 491 E CA 1.253 57.653 56.400 0.001 0.000 0.830 491 E CB 0.143 29.845 29.700 0.002 0.000 0.751 491 E HN 0.452 nan 8.360 nan 0.000 0.491 492 K N -1.660 118.708 120.400 -0.052 0.000 2.424 492 K HA 0.027 4.348 4.320 0.002 0.000 0.198 492 K C 0.793 177.149 176.600 -0.406 0.000 1.190 492 K CA 0.050 56.194 56.287 -0.239 0.000 0.935 492 K CB 0.531 32.860 32.500 -0.285 0.000 1.087 492 K HN 0.009 nan 8.250 nan 0.000 0.524 493 Y N 0.029 120.331 120.300 0.002 0.000 2.500 493 Y HA 0.303 4.855 4.550 0.002 0.000 0.246 493 Y C 0.231 176.129 175.900 -0.002 0.000 1.146 493 Y CA 0.095 58.196 58.100 0.001 0.000 1.230 493 Y CB 1.838 40.300 38.460 0.003 0.000 1.214 493 Y HN 0.162 nan 8.280 nan 0.000 0.526 494 G N 1.249 110.110 108.800 0.102 0.000 2.981 494 G HA2 -0.301 3.660 3.960 0.002 0.000 0.686 494 G HA3 -0.301 3.660 3.960 0.002 0.000 0.686 494 G C 0.001 174.934 174.900 0.054 0.000 1.068 494 G CA 0.025 45.160 45.100 0.058 0.000 0.806 494 G HN 0.368 nan 8.290 nan 0.000 0.568 495 D N 0.622 121.039 120.400 0.028 0.000 2.191 495 D HA -0.203 4.438 4.640 0.002 0.000 0.190 495 D C 2.214 178.518 176.300 0.006 0.000 1.007 495 D CA 2.085 56.091 54.000 0.011 0.000 0.865 495 D CB 0.066 40.866 40.800 0.000 0.000 0.929 495 D HN 0.629 nan 8.370 nan 0.000 0.447 496 K N -0.532 119.874 120.400 0.010 0.000 2.362 496 K HA -0.139 4.182 4.320 0.002 0.000 0.200 496 K C 1.090 177.694 176.600 0.007 0.000 1.046 496 K CA 1.194 57.483 56.287 0.004 0.000 0.952 496 K CB 0.164 32.668 32.500 0.007 0.000 0.753 496 K HN 0.127 nan 8.250 nan 0.000 0.466 497 D N -0.388 120.025 120.400 0.022 0.000 2.338 497 D HA 0.027 4.668 4.640 0.002 0.000 0.208 497 D C -0.201 176.099 176.300 -0.001 0.000 0.997 497 D CA 0.168 54.181 54.000 0.021 0.000 0.880 497 D CB 0.420 41.256 40.800 0.061 0.000 0.980 497 D HN -0.025 nan 8.370 nan 0.000 0.509 498 I N 2.247 122.820 120.570 0.004 0.000 2.363 498 I HA 0.180 4.352 4.170 0.002 0.000 0.292 498 I C 0.181 176.270 176.117 -0.047 0.000 1.075 498 I CA -0.236 61.056 61.300 -0.014 0.000 1.333 498 I CB 0.420 38.426 38.000 0.010 0.000 1.415 498 I HN -0.084 nan 8.210 nan 0.000 0.502 499 E N 6.033 126.198 120.200 -0.059 0.000 2.133 499 E HA 0.401 4.752 4.350 0.002 0.000 0.274 499 E C -1.189 175.331 176.600 -0.132 0.000 0.930 499 E CA -0.434 55.890 56.400 -0.126 0.000 0.770 499 E CB 1.334 30.952 29.700 -0.136 0.000 1.104 499 E HN 0.297 nan 8.360 nan 0.000 0.403 500 V N 6.432 126.226 119.914 -0.200 0.000 2.311 500 V HA 0.275 4.396 4.120 0.002 0.000 0.275 500 V C -0.687 175.266 176.094 -0.236 0.000 1.022 500 V CA -0.616 61.593 62.300 -0.151 0.000 0.830 500 V CB -0.059 31.670 31.823 -0.157 0.000 1.012 500 V HN 0.632 nan 8.190 nan 0.000 0.452 501 Y N 5.023 125.284 120.300 -0.065 0.000 2.299 501 Y HA 0.598 5.149 4.550 0.002 0.000 0.326 501 Y C 0.750 176.679 175.900 0.048 0.000 1.164 501 Y CA -0.040 58.051 58.100 -0.016 0.000 1.234 501 Y CB 0.956 39.400 38.460 -0.028 0.000 1.219 501 Y HN 0.851 nan 8.280 nan 0.000 0.497 502 H N -1.500 117.585 119.070 0.026 0.000 2.932 502 H HA 0.771 5.328 4.556 0.002 0.000 0.307 502 H C -1.581 173.671 175.328 -0.127 0.000 1.391 502 H CA -1.197 54.786 56.048 -0.108 0.000 1.130 502 H CB 1.944 31.656 29.762 -0.083 0.000 1.836 502 H HN 0.527 nan 8.280 nan 0.000 0.522 503 S N 0.682 116.184 115.700 -0.331 0.000 2.606 503 S HA 0.220 4.691 4.470 0.002 0.000 0.290 503 S C -1.837 172.677 174.600 -0.145 0.000 1.103 503 S CA -0.842 57.202 58.200 -0.260 0.000 0.870 503 S CB 1.198 64.297 63.200 -0.168 0.000 1.077 503 S HN 0.776 nan 8.310 nan 0.000 0.448 504 N N 1.501 120.185 118.700 -0.027 0.000 2.445 504 N HA 0.809 5.550 4.740 0.002 0.000 0.264 504 N C -0.536 175.040 175.510 0.110 0.000 1.227 504 N CA 0.115 53.192 53.050 0.044 0.000 0.963 504 N CB 0.467 38.968 38.487 0.025 0.000 1.188 504 N HN 0.548 nan 8.380 nan 0.000 0.491 505 F N -2.153 117.761 119.950 -0.060 0.000 2.711 505 F HA 0.607 5.135 4.527 0.002 0.000 0.313 505 F C -1.010 174.749 175.800 -0.068 0.000 1.141 505 F CA -1.151 56.801 58.000 -0.079 0.000 0.941 505 F CB 1.480 40.400 39.000 -0.134 0.000 1.349 505 F HN 0.097 nan 8.300 nan 0.000 0.464 506 K N 2.019 122.506 120.400 0.146 0.000 2.471 506 K HA 0.557 4.878 4.320 0.002 0.000 0.252 506 K C -2.994 173.650 176.600 0.073 0.000 0.938 506 K CA -1.985 54.331 56.287 0.049 0.000 0.796 506 K CB 2.102 34.678 32.500 0.127 0.000 1.161 506 K HN 0.427 nan 8.250 nan 0.000 0.425 507 P HA -0.024 nan 4.420 nan 0.000 0.268 507 P C 0.489 177.818 177.300 0.048 0.000 1.205 507 P CA -0.367 62.661 63.100 -0.121 0.000 0.771 507 P CB 0.602 32.007 31.700 -0.491 0.000 0.858 508 L N 3.323 124.582 121.223 0.061 0.000 2.191 508 L HA -0.183 4.158 4.340 0.002 0.000 0.212 508 L C 1.687 178.666 176.870 0.182 0.000 1.103 508 L CA 1.991 56.891 54.840 0.100 0.000 0.769 508 L CB -0.836 41.251 42.059 0.047 0.000 0.908 508 L HN 0.276 nan 8.230 nan 0.000 0.438 509 E N -1.216 119.110 120.200 0.210 0.000 2.153 509 E HA -0.221 4.130 4.350 0.002 0.000 0.194 509 E C 1.649 178.560 176.600 0.517 0.000 0.988 509 E CA 1.526 58.143 56.400 0.362 0.000 0.811 509 E CB -0.341 29.523 29.700 0.273 0.000 0.746 509 E HN 0.564 nan 8.360 nan 0.000 0.466 510 W N 0.942 122.324 121.300 0.137 0.000 2.800 510 W HA -0.003 4.658 4.660 0.002 0.000 0.249 510 W C 2.065 178.591 176.519 0.011 0.000 1.294 510 W CA 1.335 58.735 57.345 0.092 0.000 1.402 510 W CB -0.957 28.551 29.460 0.079 0.000 1.126 510 W HN 0.178 nan 8.180 nan 0.000 0.652 511 T N -2.933 111.742 114.554 0.202 0.000 2.623 511 T HA -0.162 4.189 4.350 0.002 0.000 0.254 511 T C 1.927 176.496 174.700 -0.217 0.000 1.075 511 T CA 1.576 63.681 62.100 0.007 0.000 1.177 511 T CB -1.034 67.845 68.868 0.019 0.000 0.869 511 T HN -0.136 nan 8.240 nan 0.000 0.403 512 V N 2.766 122.546 119.914 -0.223 0.000 2.317 512 V HA -0.166 3.955 4.120 0.002 0.000 0.251 512 V C 3.214 179.030 176.094 -0.463 0.000 1.065 512 V CA 1.940 63.977 62.300 -0.438 0.000 1.049 512 V CB -1.489 29.926 31.823 -0.681 0.000 0.651 512 V HN 0.765 nan 8.190 nan 0.000 0.450 513 A N -2.342 120.321 122.820 -0.263 0.000 2.172 513 A HA -0.148 4.173 4.320 0.002 0.000 0.216 513 A C 1.015 178.340 177.584 -0.432 0.000 1.154 513 A CA 0.785 52.691 52.037 -0.219 0.000 0.701 513 A CB -0.495 18.593 19.000 0.146 0.000 0.789 513 A HN 0.768 nan 8.150 nan 0.000 0.465 514 H N -1.136 117.750 119.070 -0.307 0.000 2.880 514 H HA -0.114 4.443 4.556 0.002 0.000 0.304 514 H C 0.301 175.515 175.328 -0.189 0.000 1.259 514 H CA 1.145 57.047 56.048 -0.245 0.000 1.153 514 H CB -1.262 28.308 29.762 -0.321 0.000 1.395 514 H HN 0.674 nan 8.280 nan 0.000 0.420 515 R N 0.264 120.700 120.500 -0.107 0.000 2.603 515 R HA 0.323 4.664 4.340 0.002 0.000 0.231 515 R C 0.342 176.620 176.300 -0.036 0.000 1.263 515 R CA -0.910 55.060 56.100 -0.217 0.000 1.102 515 R CB 0.701 30.540 30.300 -0.768 0.000 1.527 515 R HN 0.114 nan 8.270 nan 0.000 0.554 516 E N 1.756 121.933 120.200 -0.038 0.000 2.366 516 E HA -0.000 4.351 4.350 0.002 0.000 0.266 516 E C -1.068 175.695 176.600 0.271 0.000 1.015 516 E CA 0.166 56.648 56.400 0.137 0.000 0.906 516 E CB 0.302 30.111 29.700 0.181 0.000 0.979 516 E HN 0.287 nan 8.360 nan 0.000 0.443 517 D N 3.069 123.575 120.400 0.176 0.000 2.341 517 D HA 0.124 4.766 4.640 0.002 0.000 0.245 517 D C -0.251 176.119 176.300 0.118 0.000 1.106 517 D CA -0.611 53.481 54.000 0.154 0.000 0.905 517 D CB 0.416 41.279 40.800 0.106 0.000 1.202 517 D HN 0.277 nan 8.370 nan 0.000 0.426 518 N N 0.564 119.310 118.700 0.077 0.000 2.740 518 N HA -0.147 4.594 4.740 0.002 0.000 0.248 518 N C -0.167 175.370 175.510 0.045 0.000 1.062 518 N CA 0.368 53.439 53.050 0.034 0.000 0.704 518 N CB -1.085 37.421 38.487 0.031 0.000 0.968 518 N HN 0.359 nan 8.380 nan 0.000 0.547 519 V N -1.220 118.740 119.914 0.076 0.000 3.484 519 V HA 0.084 4.205 4.120 0.002 0.000 0.252 519 V C 1.121 177.200 176.094 -0.024 0.000 1.282 519 V CA 0.504 62.867 62.300 0.105 0.000 1.104 519 V CB 0.856 32.852 31.823 0.289 0.000 0.868 519 V HN 0.473 nan 8.190 nan 0.000 0.457 520 C N 1.120 120.269 119.300 -0.252 0.000 2.593 520 C HA 0.474 4.935 4.460 0.002 0.000 0.409 520 C C -0.187 174.437 174.990 -0.610 0.000 1.304 520 C CA -0.309 58.285 59.018 -0.706 0.000 2.007 520 C CB -0.737 26.032 27.740 -1.619 0.000 2.614 520 C HN 0.526 nan 8.230 nan 0.000 0.585 521 Y N 4.117 124.128 120.300 -0.482 0.000 2.513 521 Y HA 0.732 5.284 4.550 0.002 0.000 0.340 521 Y C -0.598 175.366 175.900 0.108 0.000 1.055 521 Y CA -1.139 56.882 58.100 -0.133 0.000 1.020 521 Y CB 1.158 39.562 38.460 -0.093 0.000 1.301 521 Y HN 0.804 nan 8.280 nan 0.000 0.453 522 M N 4.602 123.903 119.600 -0.497 0.000 2.531 522 M HA 0.745 5.227 4.480 0.002 0.000 0.286 522 M C -2.219 173.719 176.300 -0.603 0.000 1.232 522 M CA -0.803 54.228 55.300 -0.448 0.000 0.877 522 M CB 3.069 35.303 32.600 -0.609 0.000 1.726 522 M HN 0.583 nan 8.290 nan 0.000 0.463 523 K N 1.859 122.144 120.400 -0.191 0.000 2.536 523 K HA 0.801 5.122 4.320 0.002 0.000 0.269 523 K C -1.875 174.859 176.600 0.224 0.000 0.965 523 K CA -0.971 55.316 56.287 0.000 0.000 0.860 523 K CB 2.403 34.913 32.500 0.016 0.000 1.423 523 K HN 0.831 nan 8.250 nan 0.000 0.438 524 L N 2.349 123.671 121.223 0.165 0.000 2.388 524 L HA 0.318 4.659 4.340 0.002 0.000 0.267 524 L C -0.830 176.088 176.870 0.081 0.000 0.995 524 L CA -1.280 53.610 54.840 0.084 0.000 0.864 524 L CB 1.959 43.968 42.059 -0.083 0.000 1.216 524 L HN 0.472 nan 8.230 nan 0.000 0.430 525 V N 1.809 121.779 119.914 0.094 0.000 2.403 525 V HA 0.117 4.238 4.120 0.002 0.000 0.265 525 V C 0.425 176.524 176.094 0.010 0.000 1.034 525 V CA -0.267 62.071 62.300 0.063 0.000 1.036 525 V CB -0.155 31.731 31.823 0.104 0.000 1.032 525 V HN 0.765 nan 8.190 nan 0.000 0.478 526 C N 4.646 123.950 119.300 0.007 0.000 2.710 526 C HA 0.769 5.230 4.460 0.002 0.000 0.367 526 C C 0.350 175.308 174.990 -0.054 0.000 1.315 526 C CA -1.080 57.922 59.018 -0.027 0.000 1.764 526 C CB 1.689 29.439 27.740 0.018 0.000 2.182 526 C HN 0.894 nan 8.230 nan 0.000 0.491 527 R N 0.477 120.924 120.500 -0.088 0.000 2.422 527 R HA 0.260 4.601 4.340 0.002 0.000 0.307 527 R C 0.642 176.900 176.300 -0.070 0.000 1.004 527 R CA -0.385 55.643 56.100 -0.121 0.000 0.882 527 R CB 0.699 30.835 30.300 -0.274 0.000 1.164 527 R HN 0.776 nan 8.270 nan 0.000 0.489 528 K N 0.590 120.968 120.400 -0.036 0.000 2.034 528 K HA -0.218 4.104 4.320 0.002 0.000 0.214 528 K C 1.811 178.403 176.600 -0.013 0.000 1.051 528 K CA 2.596 58.877 56.287 -0.011 0.000 0.931 528 K CB 0.006 32.502 32.500 -0.007 0.000 0.715 528 K HN 0.671 nan 8.250 nan 0.000 0.446 529 S N 1.015 116.705 115.700 -0.017 0.000 2.359 529 S HA -0.196 4.275 4.470 0.002 0.000 0.224 529 S C 1.390 175.980 174.600 -0.016 0.000 1.035 529 S CA 1.586 59.781 58.200 -0.008 0.000 1.018 529 S CB -0.360 62.843 63.200 0.004 0.000 0.876 529 S HN 0.225 nan 8.310 nan 0.000 0.448 530 D N 1.900 122.276 120.400 -0.040 0.000 3.085 530 D HA 0.218 4.859 4.640 0.002 0.000 0.243 530 D C -0.169 176.109 176.300 -0.037 0.000 1.232 530 D CA -0.201 53.773 54.000 -0.043 0.000 0.913 530 D CB -1.944 38.811 40.800 -0.076 0.000 1.108 530 D HN 0.438 nan 8.370 nan 0.000 0.468 531 N N 0.505 119.193 118.700 -0.020 0.000 2.714 531 N HA -0.291 4.451 4.740 0.002 0.000 0.250 531 N C -0.131 175.371 175.510 -0.013 0.000 1.117 531 N CA 0.632 53.675 53.050 -0.011 0.000 0.719 531 N CB -0.708 37.774 38.487 -0.009 0.000 1.081 531 N HN 0.298 nan 8.380 nan 0.000 0.557 532 M N -1.337 118.253 119.600 -0.017 0.000 2.403 532 M HA -0.193 4.288 4.480 0.002 0.000 0.200 532 M C -0.104 176.167 176.300 -0.049 0.000 0.565 532 M CA 0.708 56.002 55.300 -0.009 0.000 0.507 532 M CB -0.640 31.976 32.600 0.027 0.000 1.535 532 M HN 0.293 nan 8.290 nan 0.000 0.891 533 R N 0.140 120.597 120.500 -0.071 0.000 2.401 533 R HA 0.486 4.827 4.340 0.002 0.000 0.299 533 R C -0.639 175.599 176.300 -0.103 0.000 1.064 533 R CA -0.108 55.943 56.100 -0.082 0.000 1.000 533 R CB 0.630 30.873 30.300 -0.095 0.000 0.973 533 R HN 0.267 nan 8.270 nan 0.000 0.438 534 V N 8.461 128.307 119.914 -0.113 0.000 2.400 534 V HA -0.022 4.099 4.120 0.002 0.000 0.263 534 V C 1.289 177.328 176.094 -0.092 0.000 1.026 534 V CA 0.323 62.533 62.300 -0.151 0.000 1.077 534 V CB -0.128 31.547 31.823 -0.247 0.000 1.054 534 V HN 0.783 nan 8.190 nan 0.000 0.477 535 L N 3.877 125.054 121.223 -0.077 0.000 2.307 535 L HA 0.366 4.707 4.340 0.002 0.000 0.211 535 L C 1.196 178.063 176.870 -0.005 0.000 1.099 535 L CA 0.804 55.619 54.840 -0.042 0.000 0.816 535 L CB -0.138 41.893 42.059 -0.046 0.000 0.952 535 L HN 0.718 nan 8.230 nan 0.000 0.455 536 G N 0.169 108.969 108.800 -0.000 0.000 2.706 536 G HA2 0.586 4.548 3.960 0.002 0.000 0.297 536 G HA3 0.586 4.548 3.960 0.002 0.000 0.297 536 G C -2.052 172.818 174.900 -0.050 0.000 1.403 536 G CA -0.337 44.773 45.100 0.017 0.000 0.954 536 G HN -0.090 nan 8.290 nan 0.000 0.500 537 L N 1.041 122.117 121.223 -0.245 0.000 2.410 537 L HA 0.856 5.197 4.340 0.002 0.000 0.270 537 L C -1.295 175.358 176.870 -0.362 0.000 0.983 537 L CA -0.834 53.882 54.840 -0.208 0.000 0.822 537 L CB 1.901 43.762 42.059 -0.330 0.000 1.285 537 L HN 0.701 nan 8.230 nan 0.000 0.409 538 H N 2.903 122.122 119.070 0.249 0.000 2.806 538 H HA 0.753 5.310 4.556 0.002 0.000 0.367 538 H C -1.383 174.173 175.328 0.379 0.000 1.136 538 H CA -0.594 55.653 56.048 0.332 0.000 1.178 538 H CB 2.503 32.488 29.762 0.372 0.000 1.718 538 H HN 0.402 nan 8.280 nan 0.000 0.540 539 V N 3.711 123.926 119.914 0.501 0.000 2.752 539 V HA 0.417 4.538 4.120 0.002 0.000 0.302 539 V C -1.844 174.489 176.094 0.398 0.000 1.133 539 V CA -0.662 61.870 62.300 0.385 0.000 0.919 539 V CB 1.707 33.749 31.823 0.365 0.000 1.026 539 V HN 0.614 nan 8.190 nan 0.000 0.429 540 L N 7.273 128.672 121.223 0.293 0.000 2.305 540 L HA 1.085 5.426 4.340 0.002 0.000 0.284 540 L C 0.061 176.951 176.870 0.033 0.000 1.013 540 L CA 1.186 56.119 54.840 0.155 0.000 0.819 540 L CB 1.177 43.274 42.059 0.063 0.000 1.227 540 L HN 1.140 nan 8.230 nan 0.000 0.417 541 G N 4.273 113.082 108.800 0.014 0.000 2.337 541 G HA2 0.236 4.198 3.960 0.002 0.000 0.298 541 G HA3 0.236 4.198 3.960 0.002 0.000 0.298 541 G C -3.401 171.505 174.900 0.011 0.000 1.335 541 G CA -0.711 44.354 45.100 -0.059 0.000 0.875 541 G HN 0.477 nan 8.290 nan 0.000 0.579 542 P HA 0.181 nan 4.420 nan 0.000 0.271 542 P C -0.016 177.326 177.300 0.070 0.000 1.218 542 P CA 0.199 63.326 63.100 0.045 0.000 0.780 542 P CB 0.415 32.124 31.700 0.015 0.000 0.901 543 N N 0.007 118.770 118.700 0.105 0.000 2.725 543 N HA -0.230 4.511 4.740 0.002 0.000 0.249 543 N C 1.128 176.692 175.510 0.089 0.000 1.103 543 N CA 1.024 54.137 53.050 0.105 0.000 0.707 543 N CB -1.696 36.830 38.487 0.065 0.000 1.043 543 N HN 0.605 nan 8.380 nan 0.000 0.553 544 A N 0.079 122.944 122.820 0.075 0.000 1.978 544 A HA -0.014 4.307 4.320 0.002 0.000 0.220 544 A C 2.303 179.893 177.584 0.010 0.000 1.170 544 A CA 2.219 54.285 52.037 0.048 0.000 0.636 544 A CB -0.753 18.250 19.000 0.006 0.000 0.810 544 A HN 0.531 nan 8.150 nan 0.000 0.448 545 G N -0.381 108.418 108.800 -0.001 0.000 2.421 545 G HA2 -0.197 3.764 3.960 0.002 0.000 0.216 545 G HA3 -0.197 3.764 3.960 0.002 0.000 0.216 545 G C 1.372 176.297 174.900 0.043 0.000 1.171 545 G CA 0.961 46.072 45.100 0.019 0.000 0.775 545 G HN 0.499 nan 8.290 nan 0.000 0.543 546 E N 0.571 120.808 120.200 0.062 0.000 2.110 546 E HA -0.061 4.290 4.350 0.002 0.000 0.193 546 E C 2.602 179.208 176.600 0.011 0.000 0.988 546 E CA 0.451 56.868 56.400 0.029 0.000 0.804 546 E CB -0.247 29.471 29.700 0.029 0.000 0.745 546 E HN 0.532 nan 8.360 nan 0.000 0.458 547 I N 1.098 121.700 120.570 0.053 0.000 2.113 547 I HA -0.266 3.905 4.170 0.002 0.000 0.238 547 I C 2.388 178.591 176.117 0.143 0.000 1.070 547 I CA 1.594 62.962 61.300 0.113 0.000 1.332 547 I CB -0.619 37.497 38.000 0.193 0.000 1.044 547 I HN 0.068 nan 8.210 nan 0.000 0.402 548 T N -0.318 114.313 114.554 0.129 0.000 2.708 548 T HA -0.259 4.092 4.350 0.002 0.000 0.266 548 T C 1.738 176.462 174.700 0.042 0.000 1.037 548 T CA 1.517 63.691 62.100 0.122 0.000 1.146 548 T CB -0.349 68.526 68.868 0.013 0.000 0.865 548 T HN 0.230 nan 8.240 nan 0.000 0.435 549 Q N 1.426 121.212 119.800 -0.023 0.000 2.065 549 Q HA -0.160 4.181 4.340 0.002 0.000 0.213 549 Q C 2.412 178.348 176.000 -0.107 0.000 1.012 549 Q CA 2.520 58.288 55.803 -0.059 0.000 0.876 549 Q CB -1.255 27.449 28.738 -0.057 0.000 0.954 549 Q HN 0.539 nan 8.270 nan 0.000 0.413 550 G N -1.647 107.033 108.800 -0.201 0.000 2.450 550 G HA2 -0.263 3.698 3.960 0.002 0.000 0.220 550 G HA3 -0.263 3.698 3.960 0.002 0.000 0.220 550 G C 0.964 175.662 174.900 -0.335 0.000 1.130 550 G CA 1.101 46.013 45.100 -0.313 0.000 0.760 550 G HN 0.482 nan 8.290 nan 0.000 0.557 551 Y N 0.924 121.118 120.300 -0.177 0.000 2.395 551 Y HA 0.230 4.781 4.550 0.001 0.000 0.293 551 Y C 2.995 178.813 175.900 -0.137 0.000 1.123 551 Y CA 0.233 58.208 58.100 -0.208 0.000 1.227 551 Y CB -0.399 37.897 38.460 -0.273 0.000 1.012 551 Y HN 0.237 nan 8.280 nan 0.000 0.552 552 A N -0.353 122.476 122.820 0.015 0.000 2.076 552 A HA -0.123 4.198 4.320 0.002 0.000 0.220 552 A C 2.277 179.843 177.584 -0.030 0.000 1.160 552 A CA 1.760 53.786 52.037 -0.018 0.000 0.653 552 A CB -1.010 17.966 19.000 -0.041 0.000 0.801 552 A HN 0.280 nan 8.150 nan 0.000 0.455 553 V N -0.674 119.209 119.914 -0.051 0.000 2.346 553 V HA -0.137 3.984 4.120 0.002 0.000 0.244 553 V C 3.003 179.074 176.094 -0.038 0.000 1.037 553 V CA 1.708 63.975 62.300 -0.055 0.000 1.029 553 V CB -1.074 30.700 31.823 -0.081 0.000 0.663 553 V HN 0.580 nan 8.190 nan 0.000 0.454 554 A N -0.017 122.780 122.820 -0.037 0.000 1.898 554 A HA -0.142 4.179 4.320 0.002 0.000 0.216 554 A C 2.180 179.787 177.584 0.038 0.000 1.181 554 A CA 1.686 53.715 52.037 -0.012 0.000 0.620 554 A CB -0.559 18.416 19.000 -0.042 0.000 0.819 554 A HN 0.470 nan 8.150 nan 0.000 0.442 555 I N -0.349 120.257 120.570 0.059 0.000 2.151 555 I HA -0.332 3.839 4.170 0.002 0.000 0.243 555 I C 2.536 178.663 176.117 0.016 0.000 1.080 555 I CA 2.003 63.332 61.300 0.047 0.000 1.339 555 I CB -0.201 37.815 38.000 0.026 0.000 1.039 555 I HN 0.299 nan 8.210 nan 0.000 0.409 556 K N 1.475 121.876 120.400 0.002 0.000 2.059 556 K HA -0.182 4.140 4.320 0.002 0.000 0.212 556 K C 1.789 178.389 176.600 -0.000 0.000 1.050 556 K CA 1.960 58.244 56.287 -0.005 0.000 0.927 556 K CB -0.358 32.133 32.500 -0.016 0.000 0.714 556 K HN 0.254 nan 8.250 nan 0.000 0.447 557 M N -0.445 119.155 119.600 -0.001 0.000 2.722 557 M HA 0.148 4.629 4.480 0.002 0.000 0.238 557 M C 0.643 176.946 176.300 0.006 0.000 1.098 557 M CA 0.768 56.068 55.300 -0.000 0.000 1.062 557 M CB 0.054 32.651 32.600 -0.007 0.000 1.573 557 M HN 0.407 nan 8.290 nan 0.000 0.531 558 G N 1.286 110.092 108.800 0.010 0.000 2.248 558 G HA2 -0.142 3.819 3.960 0.002 0.000 0.263 558 G HA3 -0.142 3.819 3.960 0.002 0.000 0.263 558 G C 0.077 174.989 174.900 0.021 0.000 1.082 558 G CA -0.076 45.030 45.100 0.010 0.000 0.863 558 G HN 0.763 nan 8.290 nan 0.000 0.495 559 A N 0.318 123.168 122.820 0.051 0.000 2.540 559 A HA 0.633 4.954 4.320 0.002 0.000 0.239 559 A C 1.122 178.744 177.584 0.063 0.000 1.061 559 A CA 1.311 53.408 52.037 0.100 0.000 0.758 559 A CB 0.199 19.338 19.000 0.231 0.000 0.991 559 A HN 1.978 nan 8.150 nan 0.000 0.502 560 T N -0.175 114.417 114.554 0.064 0.000 2.943 560 T HA 0.447 4.798 4.350 0.002 0.000 0.284 560 T C 0.886 175.587 174.700 0.003 0.000 1.015 560 T CA -0.487 61.615 62.100 0.005 0.000 1.042 560 T CB 1.436 70.305 68.868 0.002 0.000 1.055 560 T HN 0.573 nan 8.240 nan 0.000 0.500 561 K N 1.563 121.892 120.400 -0.119 0.000 2.127 561 K HA -0.115 4.206 4.320 0.002 0.000 0.208 561 K C 2.326 178.893 176.600 -0.056 0.000 1.047 561 K CA 1.964 58.125 56.287 -0.210 0.000 0.927 561 K CB -1.128 31.177 32.500 -0.324 0.000 0.716 561 K HN 0.780 nan 8.250 nan 0.000 0.450 562 A N 1.079 123.889 122.820 -0.018 0.000 1.917 562 A HA -0.249 4.072 4.320 0.002 0.000 0.219 562 A C 1.819 179.435 177.584 0.053 0.000 1.182 562 A CA 2.217 54.261 52.037 0.011 0.000 0.633 562 A CB -0.764 18.243 19.000 0.011 0.000 0.819 562 A HN 0.485 nan 8.150 nan 0.000 0.448 563 D N -0.981 119.479 120.400 0.100 0.000 2.117 563 D HA -0.113 4.528 4.640 0.002 0.000 0.197 563 D C 1.749 178.135 176.300 0.144 0.000 0.987 563 D CA 1.157 55.226 54.000 0.115 0.000 0.829 563 D CB -0.429 40.449 40.800 0.131 0.000 0.961 563 D HN 0.588 nan 8.370 nan 0.000 0.460 564 F N 1.447 121.367 119.950 -0.049 0.000 2.134 564 F HA -0.165 4.363 4.527 0.002 0.000 0.299 564 F C 2.324 178.104 175.800 -0.033 0.000 1.097 564 F CA 0.645 58.624 58.000 -0.036 0.000 1.264 564 F CB -0.027 38.927 39.000 -0.077 0.000 1.001 564 F HN -0.170 nan 8.300 nan 0.000 0.479 565 D N -0.006 120.478 120.400 0.139 0.000 2.104 565 D HA -0.164 4.477 4.640 0.002 0.000 0.194 565 D C 2.259 178.580 176.300 0.035 0.000 0.994 565 D CA 1.111 55.144 54.000 0.054 0.000 0.830 565 D CB -0.339 40.467 40.800 0.010 0.000 0.959 565 D HN 0.002 nan 8.370 nan 0.000 0.452 566 R N 0.096 120.613 120.500 0.029 0.000 2.105 566 R HA 0.013 4.354 4.340 0.002 0.000 0.239 566 R C 0.511 176.809 176.300 -0.004 0.000 1.135 566 R CA 0.713 56.818 56.100 0.008 0.000 0.967 566 R CB -0.720 29.582 30.300 0.004 0.000 0.861 566 R HN 0.094 nan 8.270 nan 0.000 0.442 567 T N 2.029 116.577 114.554 -0.011 0.000 2.834 567 T HA 0.145 4.496 4.350 0.002 0.000 0.298 567 T C 0.325 175.016 174.700 -0.017 0.000 0.966 567 T CA -0.238 61.841 62.100 -0.034 0.000 1.141 567 T CB 0.622 69.441 68.868 -0.082 0.000 0.905 567 T HN -0.077 nan 8.240 nan 0.000 0.535 568 I N 2.767 123.324 120.570 -0.021 0.000 2.638 568 I HA 0.282 4.453 4.170 0.002 0.000 0.286 568 I C 1.361 177.474 176.117 -0.007 0.000 1.088 568 I CA -0.509 60.783 61.300 -0.013 0.000 1.397 568 I CB 0.149 38.140 38.000 -0.016 0.000 1.414 568 I HN 0.701 nan 8.210 nan 0.000 0.566 569 G N 5.609 114.411 108.800 0.004 0.000 2.539 569 G HA2 0.519 4.480 3.960 0.002 0.000 0.258 569 G HA3 0.519 4.480 3.960 0.002 0.000 0.258 569 G C -0.264 174.651 174.900 0.025 0.000 1.202 569 G CA -0.574 44.538 45.100 0.020 0.000 0.851 569 G HN 0.519 nan 8.290 nan 0.000 0.556 570 I N 0.796 121.386 120.570 0.033 0.000 2.312 570 I HA 0.202 4.373 4.170 0.002 0.000 0.290 570 I C -0.405 175.769 176.117 0.094 0.000 1.008 570 I CA -0.671 60.654 61.300 0.041 0.000 1.226 570 I CB 1.390 39.390 38.000 0.000 0.000 1.371 570 I HN 0.449 nan 8.210 nan 0.000 0.468 571 H N 7.581 126.641 119.070 -0.015 0.000 2.469 571 H HA 0.574 5.130 4.556 0.001 0.000 0.342 571 H C -2.447 172.878 175.328 -0.004 0.000 1.115 571 H CA -1.937 54.105 56.048 -0.009 0.000 1.204 571 H CB 1.473 31.233 29.762 -0.005 0.000 1.492 571 H HN 0.324 nan 8.280 nan 0.000 0.499 572 P HA 0.305 nan 4.420 nan 0.000 0.297 572 P C -1.314 175.905 177.300 -0.136 0.000 1.331 572 P CA -0.664 62.161 63.100 -0.459 0.000 0.803 572 P CB 1.327 32.704 31.700 -0.538 0.000 0.929 573 T N -1.367 113.161 114.554 -0.043 0.000 2.896 573 T HA 0.251 4.602 4.350 0.002 0.000 0.297 573 T C 0.841 175.496 174.700 -0.075 0.000 1.108 573 T CA -0.564 61.508 62.100 -0.046 0.000 1.004 573 T CB 0.781 69.631 68.868 -0.030 0.000 1.159 573 T HN 0.291 nan 8.240 nan 0.000 0.499 574 C N 0.748 119.980 119.300 -0.113 0.000 2.429 574 C HA -0.027 4.434 4.460 0.002 0.000 0.277 574 C C 3.096 177.865 174.990 -0.369 0.000 1.262 574 C CA 1.366 60.217 59.018 -0.278 0.000 1.733 574 C CB -1.243 26.385 27.740 -0.187 0.000 2.010 574 C HN 1.038 nan 8.230 nan 0.000 0.483 575 S N 0.908 116.531 115.700 -0.128 0.000 2.419 575 S HA -0.202 4.269 4.470 0.002 0.000 0.235 575 S C 1.868 176.523 174.600 0.091 0.000 1.019 575 S CA 1.912 60.145 58.200 0.056 0.000 0.982 575 S CB -0.427 62.856 63.200 0.139 0.000 0.789 575 S HN 0.863 nan 8.310 nan 0.000 0.490 576 E N -0.288 119.913 120.200 0.001 0.000 2.333 576 E HA -0.095 4.256 4.350 0.002 0.000 0.198 576 E C 1.512 178.110 176.600 -0.003 0.000 1.007 576 E CA 1.475 57.898 56.400 0.037 0.000 0.845 576 E CB -0.729 28.995 29.700 0.040 0.000 0.766 576 E HN 0.377 nan 8.360 nan 0.000 0.507 577 T N 0.464 114.924 114.554 -0.157 0.000 2.929 577 T HA -0.082 4.269 4.350 0.002 0.000 0.271 577 T C 0.958 175.555 174.700 -0.171 0.000 1.085 577 T CA 0.780 62.748 62.100 -0.220 0.000 1.125 577 T CB -0.291 68.317 68.868 -0.434 0.000 0.874 577 T HN 0.173 nan 8.240 nan 0.000 0.494 578 F N 1.982 121.872 119.950 -0.100 0.000 2.293 578 F HA -0.069 4.459 4.527 0.001 0.000 0.300 578 F C 2.796 178.649 175.800 0.087 0.000 1.086 578 F CA 1.158 59.132 58.000 -0.043 0.000 1.375 578 F CB -0.805 38.100 39.000 -0.159 0.000 1.045 578 F HN 0.250 nan 8.300 nan 0.000 0.516 579 T N -4.323 110.374 114.554 0.238 0.000 3.067 579 T HA -0.042 4.309 4.350 0.002 0.000 0.261 579 T C 1.467 176.233 174.700 0.110 0.000 1.110 579 T CA 1.234 63.439 62.100 0.176 0.000 1.113 579 T CB -0.582 68.348 68.868 0.103 0.000 0.917 579 T HN 0.243 nan 8.240 nan 0.000 0.499 580 T N -0.229 114.376 114.554 0.085 0.000 3.132 580 T HA 0.448 4.799 4.350 0.002 0.000 0.274 580 T C 0.466 175.246 174.700 0.134 0.000 1.011 580 T CA -0.619 61.531 62.100 0.083 0.000 0.899 580 T CB -0.558 68.348 68.868 0.063 0.000 1.089 580 T HN 0.327 nan 8.240 nan 0.000 0.543 581 L N 3.944 125.215 121.223 0.079 0.000 2.640 581 L HA 0.075 4.416 4.340 0.002 0.000 0.280 581 L C 1.857 178.821 176.870 0.157 0.000 1.229 581 L CA 0.383 55.261 54.840 0.064 0.000 0.919 581 L CB 0.190 42.261 42.059 0.020 0.000 1.168 581 L HN 0.564 nan 8.230 nan 0.000 0.496 582 H N 1.027 120.196 119.070 0.166 0.000 3.436 582 H HA 0.188 4.745 4.556 0.002 0.000 0.244 582 H C 0.240 175.740 175.328 0.287 0.000 1.009 582 H CA -0.216 55.980 56.048 0.247 0.000 1.129 582 H CB 0.131 29.970 29.762 0.128 0.000 1.473 582 H HN 0.320 nan 8.280 nan 0.000 0.510 583 V N 4.529 124.296 119.914 -0.244 0.000 2.508 583 V HA 0.187 4.309 4.120 0.002 0.000 0.281 583 V C 0.791 176.922 176.094 0.062 0.000 1.041 583 V CA 0.498 62.740 62.300 -0.096 0.000 1.016 583 V CB 1.040 32.750 31.823 -0.187 0.000 0.984 583 V HN 0.650 nan 8.190 nan 0.000 0.478 584 T N 2.198 116.722 114.554 -0.050 0.000 2.952 584 T HA 0.474 4.825 4.350 0.002 0.000 0.286 584 T C 0.738 175.352 174.700 -0.144 0.000 1.024 584 T CA -0.881 61.091 62.100 -0.213 0.000 1.029 584 T CB 2.092 70.744 68.868 -0.360 0.000 1.094 584 T HN 0.497 nan 8.240 nan 0.000 0.515 585 K N 0.232 120.468 120.400 -0.274 0.000 2.044 585 K HA 0.080 4.401 4.320 0.002 0.000 0.204 585 K C 2.154 178.684 176.600 -0.116 0.000 1.045 585 K CA 0.683 56.837 56.287 -0.223 0.000 0.951 585 K CB -0.102 32.215 32.500 -0.305 0.000 0.738 585 K HN 0.499 nan 8.250 nan 0.000 0.443 586 K N 1.099 121.424 120.400 -0.124 0.000 2.442 586 K HA -0.071 4.250 4.320 0.002 0.000 0.198 586 K C 1.878 178.443 176.600 -0.059 0.000 1.044 586 K CA 1.240 57.478 56.287 -0.082 0.000 0.948 586 K CB 0.063 32.514 32.500 -0.082 0.000 0.762 586 K HN 0.138 nan 8.250 nan 0.000 0.472 587 S N -1.452 114.212 115.700 -0.060 0.000 2.524 587 S HA 0.098 4.569 4.470 0.002 0.000 0.216 587 S C 1.483 176.079 174.600 -0.007 0.000 0.987 587 S CA 0.524 58.706 58.200 -0.030 0.000 0.909 587 S CB 0.466 63.649 63.200 -0.028 0.000 0.781 587 S HN 0.409 nan 8.310 nan 0.000 0.521 588 G N 0.734 109.532 108.800 -0.004 0.000 2.284 588 G HA2 -0.292 3.670 3.960 0.002 0.000 0.247 588 G HA3 -0.292 3.670 3.960 0.002 0.000 0.247 588 G C 0.175 175.096 174.900 0.036 0.000 1.012 588 G CA 0.022 45.130 45.100 0.013 0.000 0.618 588 G HN 0.931 nan 8.290 nan 0.000 0.521 589 V N 1.571 121.511 119.914 0.043 0.000 2.720 589 V HA 0.397 4.518 4.120 0.002 0.000 0.307 589 V C 1.303 177.439 176.094 0.069 0.000 1.071 589 V CA 0.820 63.150 62.300 0.051 0.000 1.199 589 V CB 1.378 33.232 31.823 0.053 0.000 0.900 589 V HN 0.597 nan 8.190 nan 0.000 0.494 590 S N 5.795 121.519 115.700 0.040 0.000 2.565 590 S HA 0.278 4.749 4.470 0.002 0.000 0.276 590 S C -0.652 173.924 174.600 -0.040 0.000 1.326 590 S CA -1.153 57.061 58.200 0.024 0.000 1.045 590 S CB 1.071 64.279 63.200 0.012 0.000 0.918 590 S HN 0.754 nan 8.310 nan 0.000 0.505 591 P HA -0.064 nan 4.420 nan 0.000 0.217 591 P C 0.668 177.891 177.300 -0.129 0.000 1.150 591 P CA 0.588 63.505 63.100 -0.305 0.000 0.832 591 P CB -0.704 30.791 31.700 -0.342 0.000 0.787 592 I N -1.562 118.974 120.570 -0.056 0.000 3.076 592 I HA -0.060 4.112 4.170 0.002 0.000 0.321 592 I C 0.494 176.607 176.117 -0.007 0.000 1.216 592 I CA -0.052 61.238 61.300 -0.017 0.000 1.460 592 I CB -0.231 37.767 38.000 -0.002 0.000 1.313 592 I HN -0.300 nan 8.210 nan 0.000 0.546 593 V N 7.618 127.539 119.914 0.012 0.000 2.439 593 V HA 0.005 4.126 4.120 0.002 0.000 0.271 593 V C 1.591 177.706 176.094 0.036 0.000 1.040 593 V CA 0.854 63.173 62.300 0.031 0.000 1.002 593 V CB 0.891 32.745 31.823 0.052 0.000 1.000 593 V HN 1.137 nan 8.190 nan 0.000 0.477 594 S N 5.085 120.808 115.700 0.038 0.000 2.372 594 S HA 0.007 4.478 4.470 0.002 0.000 0.227 594 S C 0.935 175.557 174.600 0.037 0.000 1.044 594 S CA 0.962 59.183 58.200 0.036 0.000 1.050 594 S CB -0.316 62.907 63.200 0.039 0.000 0.901 594 S HN 1.357 nan 8.310 nan 0.000 0.447 595 G N -1.007 107.818 108.800 0.042 0.000 2.664 595 G HA2 0.355 4.316 3.960 0.002 0.000 0.303 595 G HA3 0.355 4.316 3.960 0.002 0.000 0.303 595 G C -0.873 174.056 174.900 0.049 0.000 1.243 595 G CA -0.163 44.962 45.100 0.043 0.000 0.826 595 G HN 0.363 nan 8.290 nan 0.000 0.498 596 C N 1.641 120.969 119.300 0.046 0.000 2.980 596 C HA 0.413 4.874 4.460 0.002 0.000 0.486 596 C C 1.897 176.915 174.990 0.046 0.000 1.258 596 C CA -0.440 58.607 59.018 0.049 0.000 1.481 596 C CB -3.227 24.539 27.740 0.042 0.000 1.742 596 C HN 0.772 nan 8.230 nan 0.000 0.617 597 C N 0.441 119.770 119.300 0.048 0.000 0.169 597 C HA 0.041 4.502 4.460 0.002 0.000 0.017 597 C C 1.551 176.561 174.990 0.034 0.000 0.171 597 C CA 2.031 61.075 59.018 0.043 0.000 0.499 597 C CB -1.446 26.323 27.740 0.047 0.000 3.212 597 C HN 1.821 nan 8.230 nan 0.000 1.118 598 G N 0.000 108.817 108.800 0.028 0.000 5.446 598 G HA2 0.000 3.961 3.960 0.002 0.000 0.244 598 G HA3 0.000 3.961 3.960 0.002 0.000 0.244 598 G CA 0.000 45.112 45.100 0.020 0.000 0.502 598 G HN 0.000 nan 8.290 nan 0.000 0.925