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 2x8g_1_A 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 KSGVSPIV 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 3.960 3.960 -0.001 0.000 0.244 6 G C 0.000 174.966 174.900 0.111 0.000 0.946 6 G CA 0.000 45.139 45.100 0.064 0.000 0.502 7 T N 1.272 115.884 114.554 0.097 0.000 2.777 7 T HA -0.046 4.304 4.350 -0.001 0.000 0.266 7 T C 2.523 177.368 174.700 0.240 0.000 1.040 7 T CA 2.149 64.342 62.100 0.154 0.000 1.141 7 T CB -0.236 68.685 68.868 0.088 0.000 0.868 7 T HN 0.301 nan 8.240 nan 0.000 0.444 8 S N 0.619 116.416 115.700 0.162 0.000 2.359 8 S HA -0.192 4.277 4.470 -0.001 0.000 0.224 8 S C 2.208 176.907 174.600 0.164 0.000 1.035 8 S CA 1.690 59.985 58.200 0.157 0.000 1.018 8 S CB -0.375 62.884 63.200 0.099 0.000 0.876 8 S HN 0.541 nan 8.310 nan 0.000 0.448 9 Q N -1.094 118.793 119.800 0.146 0.000 2.050 9 Q HA -0.195 4.144 4.340 -0.001 0.000 0.202 9 Q C 1.951 178.032 176.000 0.136 0.000 0.980 9 Q CA 1.965 57.842 55.803 0.124 0.000 0.840 9 Q CB -0.399 28.405 28.738 0.109 0.000 0.898 9 Q HN 0.815 nan 8.270 nan 0.000 0.424 10 W N 0.668 121.974 121.300 0.011 0.000 2.355 10 W HA -0.240 4.420 4.660 0.000 0.000 0.309 10 W C 1.767 178.269 176.519 -0.028 0.000 1.206 10 W CA 1.324 58.664 57.345 -0.009 0.000 1.284 10 W CB -0.462 28.992 29.460 -0.010 0.000 1.145 10 W HN 0.275 nan 8.180 nan 0.000 0.502 11 L N 1.495 122.676 121.223 -0.069 0.000 2.056 11 L HA -0.074 4.266 4.340 -0.001 0.000 0.207 11 L C 2.584 179.150 176.870 -0.506 0.000 1.078 11 L CA 1.954 56.529 54.840 -0.442 0.000 0.749 11 L CB -1.004 41.002 42.059 -0.089 0.000 0.901 11 L HN -0.049 nan 8.230 nan 0.000 0.433 12 R N -0.454 119.966 120.500 -0.133 0.000 2.080 12 R HA -0.200 4.140 4.340 -0.001 0.000 0.236 12 R C 2.279 178.484 176.300 -0.158 0.000 1.137 12 R CA 2.018 58.120 56.100 0.003 0.000 0.943 12 R CB -0.342 30.056 30.300 0.164 0.000 0.846 12 R HN 0.344 nan 8.270 nan 0.000 0.431 13 K N -0.496 119.794 120.400 -0.183 0.000 2.057 13 K HA -0.089 4.231 4.320 -0.001 0.000 0.207 13 K C 2.174 178.591 176.600 -0.306 0.000 1.049 13 K CA 1.863 58.036 56.287 -0.191 0.000 0.931 13 K CB -0.143 32.267 32.500 -0.149 0.000 0.714 13 K HN 0.149 nan 8.250 nan 0.000 0.440 14 T N 0.883 115.124 114.554 -0.523 0.000 2.708 14 T HA -0.108 4.242 4.350 -0.001 0.000 0.266 14 T C 2.010 176.457 174.700 -0.422 0.000 1.037 14 T CA 1.243 63.001 62.100 -0.570 0.000 1.146 14 T CB -0.170 68.117 68.868 -0.969 0.000 0.865 14 T HN -0.057 nan 8.240 nan 0.000 0.435 15 V N 1.805 121.408 119.914 -0.519 0.000 2.307 15 V HA -0.167 3.953 4.120 -0.001 0.000 0.245 15 V C 2.400 178.369 176.094 -0.209 0.000 1.045 15 V CA 1.986 63.991 62.300 -0.493 0.000 1.024 15 V CB -0.645 30.616 31.823 -0.936 0.000 0.651 15 V HN 0.483 nan 8.190 nan 0.000 0.449 16 D N -0.578 119.726 120.400 -0.160 0.000 2.149 16 D HA -0.180 4.460 4.640 -0.001 0.000 0.198 16 D C 2.316 178.607 176.300 -0.014 0.000 0.990 16 D CA 1.808 55.789 54.000 -0.032 0.000 0.839 16 D CB -0.018 40.775 40.800 -0.012 0.000 0.948 16 D HN 0.354 nan 8.370 nan 0.000 0.460 17 S N -1.257 114.395 115.700 -0.079 0.000 2.468 17 S HA 0.362 4.832 4.470 -0.001 0.000 0.226 17 S C 0.783 175.370 174.600 -0.021 0.000 1.051 17 S CA 0.238 58.387 58.200 -0.086 0.000 0.943 17 S CB -0.298 62.781 63.200 -0.201 0.000 0.810 17 S HN 0.382 nan 8.310 nan 0.000 0.509 18 A N 1.201 124.009 122.820 -0.021 0.000 2.540 18 A HA 0.579 4.899 4.320 -0.001 0.000 0.239 18 A C 1.361 179.082 177.584 0.228 0.000 1.061 18 A CA 0.539 52.645 52.037 0.116 0.000 0.758 18 A CB -0.039 18.962 19.000 0.001 0.000 0.991 18 A HN 0.612 nan 8.150 nan 0.000 0.502 19 A N 2.503 125.527 122.820 0.339 0.000 1.855 19 A HA 0.372 4.692 4.320 -0.001 0.000 0.213 19 A C 0.699 178.375 177.584 0.153 0.000 1.195 19 A CA 1.664 53.829 52.037 0.214 0.000 0.610 19 A CB -0.178 18.877 19.000 0.092 0.000 0.837 19 A HN 1.179 nan 8.150 nan 0.000 0.444 20 V N -0.154 119.851 119.914 0.152 0.000 2.612 20 V HA 0.581 4.701 4.120 -0.001 0.000 0.301 20 V C -0.900 175.294 176.094 0.166 0.000 1.059 20 V CA -0.222 62.168 62.300 0.150 0.000 0.886 20 V CB 1.446 33.350 31.823 0.136 0.000 1.007 20 V HN 0.441 nan 8.190 nan 0.000 0.426 21 I N 4.800 125.461 120.570 0.152 0.000 2.722 21 I HA 0.657 4.826 4.170 -0.001 0.000 0.295 21 I C -1.928 174.242 176.117 0.089 0.000 1.161 21 I CA -0.956 60.387 61.300 0.072 0.000 1.032 21 I CB 2.303 40.248 38.000 -0.093 0.000 1.244 21 I HN 0.615 nan 8.210 nan 0.000 0.421 22 L N 7.517 128.747 121.223 0.012 0.000 2.325 22 L HA 0.589 4.929 4.340 -0.001 0.000 0.281 22 L C -1.675 175.170 176.870 -0.041 0.000 1.004 22 L CA 0.043 54.917 54.840 0.057 0.000 0.823 22 L CB 1.265 43.329 42.059 0.009 0.000 1.236 22 L HN 0.364 nan 8.230 nan 0.000 0.415 23 F N 3.964 124.038 119.950 0.207 0.000 2.411 23 F HA 0.679 5.206 4.527 -0.001 0.000 0.350 23 F C 0.774 176.666 175.800 0.154 0.000 1.114 23 F CA 0.265 58.373 58.000 0.180 0.000 1.135 23 F CB 1.696 40.820 39.000 0.207 0.000 1.120 23 F HN 0.605 nan 8.300 nan 0.000 0.495 24 S N 3.313 119.174 115.700 0.268 0.000 2.705 24 S HA 0.710 5.179 4.470 -0.001 0.000 0.280 24 S C -1.419 173.274 174.600 0.155 0.000 1.174 24 S CA -0.883 57.428 58.200 0.185 0.000 0.823 24 S CB 1.667 64.948 63.200 0.136 0.000 1.162 24 S HN 0.589 nan 8.310 nan 0.000 0.487 25 K N 0.407 120.879 120.400 0.121 0.000 2.435 25 K HA 0.394 4.713 4.320 -0.001 0.000 0.251 25 K C 0.791 177.434 176.600 0.072 0.000 0.954 25 K CA -0.302 56.041 56.287 0.093 0.000 0.820 25 K CB 1.715 34.268 32.500 0.088 0.000 1.292 25 K HN 0.791 nan 8.250 nan 0.000 0.436 26 T N -3.107 111.480 114.554 0.055 0.000 2.867 26 T HA -0.134 4.215 4.350 -0.001 0.000 0.268 26 T C 1.326 176.046 174.700 0.034 0.000 1.057 26 T CA 1.452 63.576 62.100 0.041 0.000 1.136 26 T CB -0.409 68.477 68.868 0.030 0.000 0.874 26 T HN 0.696 nan 8.240 nan 0.000 0.466 27 T N -0.843 113.732 114.554 0.035 0.000 3.218 27 T HA 0.436 4.785 4.350 -0.001 0.000 0.241 27 T C -0.016 174.703 174.700 0.033 0.000 0.929 27 T CA -0.875 61.241 62.100 0.027 0.000 0.979 27 T CB -1.000 67.882 68.868 0.022 0.000 1.129 27 T HN 0.447 nan 8.240 nan 0.000 0.559 28 C N 3.738 123.064 119.300 0.042 0.000 2.335 28 C HA 0.576 5.035 4.460 -0.001 0.000 0.318 28 C C -1.164 173.845 174.990 0.032 0.000 1.150 28 C CA -2.119 56.937 59.018 0.062 0.000 1.466 28 C CB 1.192 28.992 27.740 0.101 0.000 2.024 28 C HN 0.361 nan 8.230 nan 0.000 0.429 29 P HA -0.130 nan 4.420 nan 0.000 0.217 29 P C 0.826 178.032 177.300 -0.156 0.000 1.150 29 P CA 1.642 64.657 63.100 -0.142 0.000 0.832 29 P CB 0.070 31.605 31.700 -0.274 0.000 0.787 30 Y N -0.118 120.193 120.300 0.017 0.000 2.263 30 Y HA -0.117 4.433 4.550 -0.001 0.000 0.292 30 Y C 2.870 178.779 175.900 0.015 0.000 1.130 30 Y CA 0.721 58.829 58.100 0.014 0.000 1.179 30 Y CB -1.618 36.853 38.460 0.019 0.000 0.998 30 Y HN 0.028 nan 8.280 nan 0.000 0.532 31 C N -0.001 119.402 119.300 0.172 0.000 2.425 31 C HA -0.169 4.291 4.460 -0.001 0.000 0.277 31 C C 2.712 177.743 174.990 0.068 0.000 1.280 31 C CA 1.020 60.106 59.018 0.114 0.000 1.744 31 C CB -0.841 26.966 27.740 0.113 0.000 1.989 31 C HN 0.485 nan 8.230 nan 0.000 0.491 32 K N 1.234 121.660 120.400 0.045 0.000 2.057 32 K HA -0.158 4.162 4.320 -0.001 0.000 0.206 32 K C 2.042 178.646 176.600 0.006 0.000 1.050 32 K CA 1.307 57.606 56.287 0.020 0.000 0.935 32 K CB -0.138 32.361 32.500 -0.001 0.000 0.715 32 K HN 0.463 nan 8.250 nan 0.000 0.439 33 K N 0.238 120.642 120.400 0.007 0.000 2.032 33 K HA -0.129 4.191 4.320 -0.001 0.000 0.209 33 K C 2.036 178.623 176.600 -0.021 0.000 1.048 33 K CA 1.605 57.892 56.287 0.000 0.000 0.927 33 K CB -0.105 32.414 32.500 0.033 0.000 0.712 33 K HN -0.011 nan 8.250 nan 0.000 0.441 34 V N 1.751 121.662 119.914 -0.005 0.000 2.295 34 V HA -0.265 3.854 4.120 -0.001 0.000 0.246 34 V C 2.087 178.133 176.094 -0.080 0.000 1.049 34 V CA 1.717 63.986 62.300 -0.052 0.000 1.024 34 V CB -0.409 31.396 31.823 -0.030 0.000 0.648 34 V HN 0.294 nan 8.190 nan 0.000 0.447 35 K N -0.094 120.289 120.400 -0.028 0.000 2.032 35 K HA -0.220 4.100 4.320 -0.001 0.000 0.209 35 K C 1.931 178.532 176.600 0.002 0.000 1.048 35 K CA 1.911 58.208 56.287 0.017 0.000 0.927 35 K CB -0.337 32.203 32.500 0.066 0.000 0.712 35 K HN 0.477 nan 8.250 nan 0.000 0.441 36 D N 0.283 120.667 120.400 -0.026 0.000 2.117 36 D HA -0.121 4.518 4.640 -0.001 0.000 0.198 36 D C 1.978 178.212 176.300 -0.109 0.000 0.982 36 D CA 0.838 54.812 54.000 -0.043 0.000 0.828 36 D CB -0.303 40.477 40.800 -0.034 0.000 0.967 36 D HN -0.063 nan 8.370 nan 0.000 0.464 37 V N 1.089 120.888 119.914 -0.191 0.000 2.295 37 V HA -0.212 3.907 4.120 -0.001 0.000 0.246 37 V C 2.613 178.480 176.094 -0.378 0.000 1.049 37 V CA 1.193 63.233 62.300 -0.433 0.000 1.024 37 V CB -0.422 31.103 31.823 -0.497 0.000 0.648 37 V HN 0.192 nan 8.190 nan 0.000 0.447 38 L N -0.134 120.967 121.223 -0.203 0.000 2.093 38 L HA -0.123 4.217 4.340 -0.001 0.000 0.208 38 L C 2.700 179.563 176.870 -0.013 0.000 1.085 38 L CA 1.481 56.260 54.840 -0.102 0.000 0.755 38 L CB -0.795 41.198 42.059 -0.111 0.000 0.904 38 L HN 0.356 nan 8.230 nan 0.000 0.435 39 A N -0.241 122.581 122.820 0.003 0.000 1.898 39 A HA -0.247 4.073 4.320 -0.001 0.000 0.216 39 A C 2.268 179.854 177.584 0.004 0.000 1.181 39 A CA 1.780 53.829 52.037 0.020 0.000 0.620 39 A CB -0.451 18.561 19.000 0.021 0.000 0.819 39 A HN 0.454 nan 8.150 nan 0.000 0.442 40 E N -0.263 119.923 120.200 -0.024 0.000 2.106 40 E HA -0.061 4.289 4.350 -0.001 0.000 0.192 40 E C 1.825 178.465 176.600 0.067 0.000 0.984 40 E CA 0.832 57.242 56.400 0.018 0.000 0.806 40 E CB -0.187 29.526 29.700 0.022 0.000 0.750 40 E HN 0.536 nan 8.360 nan 0.000 0.458 41 A N 0.654 123.501 122.820 0.045 0.000 2.235 41 A HA -0.004 4.315 4.320 -0.001 0.000 0.208 41 A C 0.400 178.030 177.584 0.075 0.000 1.172 41 A CA 0.445 52.558 52.037 0.126 0.000 0.786 41 A CB -0.252 18.837 19.000 0.150 0.000 0.804 41 A HN 0.269 nan 8.150 nan 0.000 0.479 42 K N -0.578 119.850 120.400 0.048 0.000 3.096 42 K HA -0.138 4.182 4.320 -0.001 0.000 0.266 42 K C -0.736 175.889 176.600 0.041 0.000 1.043 42 K CA 0.603 56.912 56.287 0.037 0.000 0.758 42 K CB -1.519 30.999 32.500 0.030 0.000 1.260 42 K HN 0.404 nan 8.250 nan 0.000 0.481 43 I N 1.852 122.457 120.570 0.058 0.000 2.307 43 I HA 0.152 4.322 4.170 -0.001 0.000 0.289 43 I C 0.763 176.967 176.117 0.145 0.000 1.021 43 I CA -0.213 61.134 61.300 0.078 0.000 1.224 43 I CB 0.958 38.997 38.000 0.065 0.000 1.376 43 I HN 0.046 nan 8.210 nan 0.000 0.470 44 K N 6.144 126.594 120.400 0.084 0.000 2.185 44 K HA 0.473 4.793 4.320 -0.001 0.000 0.271 44 K C -0.491 176.188 176.600 0.131 0.000 1.013 44 K CA -0.313 55.998 56.287 0.039 0.000 0.943 44 K CB 0.892 33.361 32.500 -0.052 0.000 0.998 44 K HN 0.740 nan 8.250 nan 0.000 0.468 45 H N -1.995 117.092 119.070 0.029 0.000 3.037 45 H HA 0.526 5.082 4.556 -0.001 0.000 0.336 45 H C -1.594 173.819 175.328 0.142 0.000 1.323 45 H CA -1.183 54.909 56.048 0.073 0.000 1.159 45 H CB 0.737 30.528 29.762 0.047 0.000 1.882 45 H HN 0.590 nan 8.280 nan 0.000 0.535 46 A N 1.044 124.005 122.820 0.235 0.000 2.322 46 A HA 0.606 4.925 4.320 -0.001 0.000 0.269 46 A C -0.376 177.298 177.584 0.150 0.000 1.094 46 A CA 0.058 52.194 52.037 0.165 0.000 0.807 46 A CB 0.276 19.276 19.000 0.001 0.000 1.047 46 A HN 0.722 nan 8.150 nan 0.000 0.487 47 T N 2.505 117.094 114.554 0.059 0.000 2.881 47 T HA 0.500 4.849 4.350 -0.001 0.000 0.290 47 T C -0.680 173.992 174.700 -0.046 0.000 1.000 47 T CA -0.219 61.907 62.100 0.043 0.000 0.978 47 T CB 0.860 69.793 68.868 0.110 0.000 0.997 47 T HN 0.400 nan 8.240 nan 0.000 0.443 48 I N 3.318 123.815 120.570 -0.121 0.000 2.354 48 I HA 0.284 4.454 4.170 -0.001 0.000 0.286 48 I C 0.099 176.254 176.117 0.062 0.000 1.007 48 I CA -0.820 60.449 61.300 -0.051 0.000 1.167 48 I CB 1.529 39.459 38.000 -0.117 0.000 1.320 48 I HN 0.581 nan 8.210 nan 0.000 0.458 49 E N 7.040 127.282 120.200 0.069 0.000 2.044 49 E HA 0.222 4.572 4.350 -0.001 0.000 0.282 49 E C 1.017 177.672 176.600 0.091 0.000 1.031 49 E CA -0.337 56.113 56.400 0.083 0.000 0.824 49 E CB 1.925 31.658 29.700 0.054 0.000 1.076 49 E HN 0.530 nan 8.360 nan 0.000 0.395 50 L N 1.897 123.197 121.223 0.129 0.000 2.141 50 L HA -0.185 4.155 4.340 -0.001 0.000 0.209 50 L C 1.715 178.622 176.870 0.060 0.000 1.094 50 L CA 1.047 55.958 54.840 0.118 0.000 0.763 50 L CB -0.246 41.905 42.059 0.154 0.000 0.908 50 L HN 0.412 nan 8.230 nan 0.000 0.437 51 D N -0.665 119.768 120.400 0.055 0.000 2.378 51 D HA -0.176 4.464 4.640 -0.001 0.000 0.227 51 D C 1.420 177.729 176.300 0.015 0.000 1.012 51 D CA 0.577 54.596 54.000 0.032 0.000 0.905 51 D CB -0.046 40.776 40.800 0.036 0.000 0.895 51 D HN 0.432 nan 8.370 nan 0.000 0.532 52 Q N -0.250 119.557 119.800 0.012 0.000 2.219 52 Q HA 0.329 4.668 4.340 -0.001 0.000 0.209 52 Q C -0.066 175.917 176.000 -0.029 0.000 0.854 52 Q CA -0.076 55.724 55.803 -0.006 0.000 0.960 52 Q CB 1.164 29.901 28.738 -0.001 0.000 1.116 52 Q HN 0.260 nan 8.270 nan 0.000 0.500 53 L N 0.148 121.350 121.223 -0.035 0.000 2.365 53 L HA 0.272 4.612 4.340 -0.001 0.000 0.273 53 L C 1.176 178.005 176.870 -0.068 0.000 1.000 53 L CA -0.398 54.396 54.840 -0.077 0.000 0.819 53 L CB 1.826 43.814 42.059 -0.119 0.000 1.284 53 L HN 0.037 nan 8.230 nan 0.000 0.418 54 S N 0.224 115.874 115.700 -0.082 0.000 2.447 54 S HA -0.115 4.355 4.470 -0.001 0.000 0.233 54 S C 0.984 175.547 174.600 -0.062 0.000 1.006 54 S CA 1.033 59.196 58.200 -0.063 0.000 0.957 54 S CB -0.327 62.835 63.200 -0.063 0.000 0.773 54 S HN 0.840 nan 8.310 nan 0.000 0.507 55 N N 1.011 119.657 118.700 -0.089 0.000 2.273 55 N HA 0.257 4.997 4.740 -0.001 0.000 0.231 55 N C 1.245 176.726 175.510 -0.049 0.000 1.134 55 N CA 0.314 53.320 53.050 -0.073 0.000 0.856 55 N CB -0.595 37.832 38.487 -0.100 0.000 1.068 55 N HN 0.364 nan 8.380 nan 0.000 0.510 56 G N 0.640 109.420 108.800 -0.034 0.000 2.440 56 G HA2 -0.245 3.715 3.960 -0.001 0.000 0.218 56 G HA3 -0.245 3.715 3.960 -0.001 0.000 0.218 56 G C 1.464 176.383 174.900 0.031 0.000 1.154 56 G CA 0.823 45.929 45.100 0.009 0.000 0.767 56 G HN 0.396 nan 8.290 nan 0.000 0.552 57 S N 0.912 116.623 115.700 0.018 0.000 2.368 57 S HA 0.008 4.478 4.470 -0.001 0.000 0.225 57 S C 2.774 177.388 174.600 0.023 0.000 1.030 57 S CA 1.155 59.368 58.200 0.022 0.000 0.999 57 S CB -0.331 62.877 63.200 0.013 0.000 0.844 57 S HN 0.584 nan 8.310 nan 0.000 0.459 58 A N 1.219 124.050 122.820 0.018 0.000 1.930 58 A HA -0.009 4.311 4.320 -0.001 0.000 0.217 58 A C 2.022 179.633 177.584 0.046 0.000 1.175 58 A CA 1.030 53.082 52.037 0.024 0.000 0.627 58 A CB -0.635 18.375 19.000 0.016 0.000 0.815 58 A HN 0.491 nan 8.150 nan 0.000 0.443 59 I N -0.880 119.726 120.570 0.060 0.000 2.179 59 I HA -0.302 3.868 4.170 -0.001 0.000 0.242 59 I C 2.772 178.918 176.117 0.049 0.000 1.088 59 I CA 1.495 62.856 61.300 0.101 0.000 1.357 59 I CB -0.461 37.643 38.000 0.175 0.000 1.051 59 I HN 0.413 nan 8.210 nan 0.000 0.409 60 Q N 0.916 120.743 119.800 0.045 0.000 2.096 60 Q HA -0.286 4.053 4.340 -0.001 0.000 0.208 60 Q C 2.235 178.241 176.000 0.011 0.000 0.993 60 Q CA 1.935 57.754 55.803 0.027 0.000 0.862 60 Q CB -0.023 28.740 28.738 0.041 0.000 0.915 60 Q HN 0.475 nan 8.270 nan 0.000 0.416 61 K N -0.682 119.728 120.400 0.017 0.000 2.057 61 K HA -0.092 4.228 4.320 -0.001 0.000 0.206 61 K C 2.145 178.754 176.600 0.014 0.000 1.050 61 K CA 1.208 57.501 56.287 0.010 0.000 0.935 61 K CB -0.054 32.453 32.500 0.010 0.000 0.715 61 K HN 0.236 nan 8.250 nan 0.000 0.439 62 C N 1.081 120.403 119.300 0.037 0.000 2.432 62 C HA -0.005 4.455 4.460 -0.001 0.000 0.280 62 C C 2.362 177.427 174.990 0.125 0.000 1.353 62 C CA 0.381 59.441 59.018 0.072 0.000 1.766 62 C CB -0.843 26.967 27.740 0.116 0.000 1.924 62 C HN 0.418 nan 8.230 nan 0.000 0.509 63 L N 0.965 122.225 121.223 0.061 0.000 2.187 63 L HA -0.174 4.165 4.340 -0.001 0.000 0.213 63 L C 2.779 179.715 176.870 0.109 0.000 1.100 63 L CA 1.378 56.263 54.840 0.074 0.000 0.765 63 L CB -0.569 41.429 42.059 -0.101 0.000 0.904 63 L HN 0.344 nan 8.230 nan 0.000 0.437 64 A N -0.876 121.948 122.820 0.007 0.000 2.019 64 A HA -0.186 4.134 4.320 -0.001 0.000 0.219 64 A C 2.437 179.971 177.584 -0.083 0.000 1.164 64 A CA 1.868 53.871 52.037 -0.057 0.000 0.644 64 A CB -0.457 18.507 19.000 -0.059 0.000 0.805 64 A HN 0.389 nan 8.150 nan 0.000 0.449 65 S N -1.170 114.462 115.700 -0.114 0.000 2.469 65 S HA -0.035 4.435 4.470 -0.001 0.000 0.238 65 S C 1.149 175.457 174.600 -0.486 0.000 0.998 65 S CA 1.277 59.280 58.200 -0.329 0.000 0.957 65 S CB -0.390 62.523 63.200 -0.478 0.000 0.764 65 S HN 0.653 nan 8.310 nan 0.000 0.514 66 F N 0.444 120.379 119.950 -0.025 0.000 2.602 66 F HA 0.180 4.707 4.527 -0.001 0.000 0.284 66 F C 2.313 178.123 175.800 0.017 0.000 1.111 66 F CA 0.460 58.502 58.000 0.069 0.000 1.405 66 F CB 0.062 39.161 39.000 0.165 0.000 1.121 66 F HN 0.187 nan 8.300 nan 0.000 0.603 67 S N -1.323 114.350 115.700 -0.045 0.000 2.589 67 S HA 0.217 4.686 4.470 -0.001 0.000 0.235 67 S C 0.880 175.196 174.600 -0.473 0.000 1.051 67 S CA -0.123 57.701 58.200 -0.628 0.000 0.978 67 S CB 0.163 62.545 63.200 -1.363 0.000 0.929 67 S HN 0.245 nan 8.310 nan 0.000 0.523 68 K N 0.364 120.622 120.400 -0.237 0.000 3.553 68 K HA -0.157 4.163 4.320 -0.001 0.000 0.303 68 K C -0.139 176.369 176.600 -0.154 0.000 1.327 68 K CA 1.286 57.478 56.287 -0.158 0.000 0.983 68 K CB -2.169 30.264 32.500 -0.111 0.000 1.275 68 K HN 0.815 nan 8.250 nan 0.000 0.453 69 I N -2.892 117.551 120.570 -0.210 0.000 2.785 69 I HA 0.346 4.515 4.170 -0.001 0.000 0.302 69 I C 0.248 176.307 176.117 -0.097 0.000 1.069 69 I CA -0.809 60.406 61.300 -0.141 0.000 1.045 69 I CB 2.027 39.944 38.000 -0.139 0.000 1.236 69 I HN -0.045 nan 8.210 nan 0.000 0.429 70 E N 2.223 122.393 120.200 -0.050 0.000 2.624 70 E HA 0.132 4.482 4.350 -0.001 0.000 0.210 70 E C -0.250 176.352 176.600 0.003 0.000 0.997 70 E CA -0.145 56.242 56.400 -0.022 0.000 0.999 70 E CB 0.837 30.528 29.700 -0.014 0.000 1.040 70 E HN 0.856 nan 8.360 nan 0.000 0.469 71 T N -1.273 113.284 114.554 0.005 0.000 2.936 71 T HA 0.543 4.893 4.350 -0.001 0.000 0.282 71 T C 0.306 175.050 174.700 0.072 0.000 1.003 71 T CA -0.866 61.252 62.100 0.031 0.000 1.005 71 T CB 1.885 70.759 68.868 0.009 0.000 1.097 71 T HN -0.055 nan 8.240 nan 0.000 0.532 72 V N -1.298 118.672 119.914 0.094 0.000 2.667 72 V HA 0.804 4.923 4.120 -0.001 0.000 0.308 72 V C -2.671 173.499 176.094 0.127 0.000 1.048 72 V CA -2.584 59.800 62.300 0.140 0.000 0.928 72 V CB 1.101 33.019 31.823 0.158 0.000 1.004 72 V HN 0.927 nan 8.190 nan 0.000 0.444 73 P HA 0.454 nan 4.420 nan 0.000 0.279 73 P C -1.314 176.114 177.300 0.213 0.000 1.252 73 P CA -0.408 62.798 63.100 0.177 0.000 0.811 73 P CB 1.102 32.885 31.700 0.138 0.000 1.035 74 Q N 0.950 120.942 119.800 0.320 0.000 2.292 74 Q HA 0.526 4.866 4.340 -0.001 0.000 0.270 74 Q C -0.784 175.475 176.000 0.432 0.000 1.024 74 Q CA -0.468 55.591 55.803 0.426 0.000 0.768 74 Q CB 2.727 31.768 28.738 0.506 0.000 1.250 74 Q HN 0.467 nan 8.270 nan 0.000 0.447 75 M N 3.068 122.756 119.600 0.148 0.000 2.268 75 M HA 0.554 5.034 4.480 -0.001 0.000 0.344 75 M C -1.777 174.464 176.300 -0.099 0.000 1.106 75 M CA -0.448 54.905 55.300 0.088 0.000 1.010 75 M CB 0.907 33.485 32.600 -0.037 0.000 1.649 75 M HN 0.557 nan 8.290 nan 0.000 0.443 76 F N 3.293 123.333 119.950 0.150 0.000 2.532 76 F HA 0.671 5.197 4.527 -0.001 0.000 0.321 76 F C -0.673 175.174 175.800 0.078 0.000 1.089 76 F CA -0.807 57.280 58.000 0.144 0.000 0.926 76 F CB 2.124 41.252 39.000 0.213 0.000 1.168 76 F HN 0.165 nan 8.300 nan 0.000 0.459 77 V N 2.908 122.950 119.914 0.213 0.000 2.482 77 V HA 0.409 4.528 4.120 -0.001 0.000 0.295 77 V C -0.185 175.999 176.094 0.151 0.000 1.026 77 V CA -1.342 61.042 62.300 0.140 0.000 0.856 77 V CB 1.561 33.414 31.823 0.050 0.000 1.001 77 V HN 0.742 nan 8.190 nan 0.000 0.424 78 R N 3.551 124.144 120.500 0.156 0.000 3.251 78 R HA -0.233 4.107 4.340 -0.001 0.000 0.249 78 R C 1.193 177.585 176.300 0.153 0.000 0.949 78 R CA 0.756 56.945 56.100 0.149 0.000 0.645 78 R CB -1.499 28.876 30.300 0.125 0.000 1.065 78 R HN 1.609 nan 8.270 nan 0.000 0.452 79 G N -0.550 108.359 108.800 0.181 0.000 2.175 79 G HA2 -0.364 3.596 3.960 -0.001 0.000 0.244 79 G HA3 -0.364 3.596 3.960 -0.001 0.000 0.244 79 G C 0.007 175.081 174.900 0.291 0.000 0.982 79 G CA 0.545 45.759 45.100 0.190 0.000 0.641 79 G HN 0.428 nan 8.290 nan 0.000 0.527 80 K N -0.085 120.500 120.400 0.309 0.000 2.345 80 K HA 0.622 4.941 4.320 -0.001 0.000 0.255 80 K C -0.438 176.322 176.600 0.268 0.000 0.934 80 K CA -1.268 55.192 56.287 0.288 0.000 0.801 80 K CB 0.957 33.543 32.500 0.144 0.000 1.137 80 K HN 0.082 nan 8.250 nan 0.000 0.424 81 F N 6.274 126.214 119.950 -0.016 0.000 2.543 81 F HA 0.106 4.632 4.527 -0.001 0.000 0.375 81 F C 0.785 176.445 175.800 -0.233 0.000 1.075 81 F CA -0.050 57.618 58.000 -0.553 0.000 1.225 81 F CB 0.405 39.123 39.000 -0.470 0.000 1.099 81 F HN 0.584 nan 8.300 nan 0.000 0.561 82 I N 2.613 122.687 120.570 -0.826 0.000 4.035 82 I HA 0.658 4.827 4.170 -0.001 0.000 0.321 82 I C 0.636 176.343 176.117 -0.684 0.000 1.289 82 I CA 0.433 61.425 61.300 -0.514 0.000 1.236 82 I CB 0.101 37.990 38.000 -0.184 0.000 1.076 82 I HN 0.711 nan 8.210 nan 0.000 0.418 83 G N 1.487 109.436 108.800 -1.419 0.000 2.347 83 G HA2 0.220 4.179 3.960 -0.001 0.000 0.303 83 G HA3 0.220 4.179 3.960 -0.001 0.000 0.303 83 G C -1.774 172.860 174.900 -0.442 0.000 1.481 83 G CA -0.169 44.352 45.100 -0.965 0.000 0.914 83 G HN 0.330 nan 8.290 nan 0.000 0.638 84 D N -0.599 119.759 120.400 -0.071 0.000 2.469 84 D HA 0.538 5.177 4.640 -0.001 0.000 0.278 84 D C 1.770 178.034 176.300 -0.060 0.000 1.231 84 D CA 0.440 54.463 54.000 0.040 0.000 1.075 84 D CB 0.251 41.093 40.800 0.071 0.000 1.121 84 D HN 0.442 nan 8.370 nan 0.000 0.571 85 S N -1.582 114.091 115.700 -0.044 0.000 2.353 85 S HA -0.277 4.192 4.470 -0.001 0.000 0.222 85 S C 1.813 176.372 174.600 -0.068 0.000 1.035 85 S CA 2.013 60.193 58.200 -0.034 0.000 1.025 85 S CB -0.543 62.667 63.200 0.017 0.000 0.902 85 S HN 0.584 nan 8.310 nan 0.000 0.440 86 Q N -0.425 119.318 119.800 -0.094 0.000 2.124 86 Q HA -0.120 4.219 4.340 -0.001 0.000 0.202 86 Q C 1.963 177.861 176.000 -0.170 0.000 0.977 86 Q CA 1.949 57.694 55.803 -0.097 0.000 0.850 86 Q CB -0.399 28.285 28.738 -0.091 0.000 0.901 86 Q HN 0.574 nan 8.270 nan 0.000 0.429 87 T N 0.083 114.494 114.554 -0.239 0.000 2.708 87 T HA -0.109 4.241 4.350 -0.001 0.000 0.266 87 T C 1.849 176.134 174.700 -0.691 0.000 1.037 87 T CA 1.391 63.215 62.100 -0.460 0.000 1.146 87 T CB -0.218 68.396 68.868 -0.423 0.000 0.865 87 T HN 0.118 nan 8.240 nan 0.000 0.435 88 V N 1.325 121.007 119.914 -0.386 0.000 2.343 88 V HA -0.112 4.008 4.120 -0.001 0.000 0.247 88 V C 2.400 178.439 176.094 -0.092 0.000 1.051 88 V CA 1.345 63.524 62.300 -0.202 0.000 1.036 88 V CB -0.628 31.145 31.823 -0.083 0.000 0.654 88 V HN 0.322 nan 8.190 nan 0.000 0.451 89 L N 0.008 121.185 121.223 -0.077 0.000 2.201 89 L HA -0.105 4.235 4.340 -0.001 0.000 0.212 89 L C 2.397 179.293 176.870 0.042 0.000 1.105 89 L CA 1.644 56.505 54.840 0.035 0.000 0.775 89 L CB -0.912 41.165 42.059 0.030 0.000 0.913 89 L HN 0.259 nan 8.230 nan 0.000 0.440 90 K N -0.501 119.840 120.400 -0.099 0.000 2.002 90 K HA -0.218 4.102 4.320 -0.001 0.000 0.209 90 K C 2.271 178.879 176.600 0.013 0.000 1.048 90 K CA 1.737 57.967 56.287 -0.096 0.000 0.930 90 K CB -0.344 32.029 32.500 -0.211 0.000 0.714 90 K HN 0.196 nan 8.250 nan 0.000 0.438 91 Y N -0.031 120.285 120.300 0.028 0.000 2.165 91 Y HA -0.240 4.310 4.550 0.000 0.000 0.286 91 Y C 2.458 178.405 175.900 0.077 0.000 1.155 91 Y CA 1.215 59.332 58.100 0.029 0.000 1.164 91 Y CB -1.335 37.132 38.460 0.011 0.000 0.978 91 Y HN 0.207 nan 8.280 nan 0.000 0.513 92 Y N 1.124 121.494 120.300 0.117 0.000 2.114 92 Y HA -0.265 4.284 4.550 -0.001 0.000 0.284 92 Y C 2.784 178.708 175.900 0.039 0.000 1.143 92 Y CA 1.696 59.833 58.100 0.062 0.000 1.135 92 Y CB -0.765 37.716 38.460 0.034 0.000 0.980 92 Y HN 0.176 nan 8.280 nan 0.000 0.499 93 S N -0.755 114.950 115.700 0.008 0.000 2.447 93 S HA -0.150 4.320 4.470 -0.001 0.000 0.233 93 S C 1.392 175.947 174.600 -0.074 0.000 1.006 93 S CA 1.415 59.563 58.200 -0.086 0.000 0.957 93 S CB -0.646 62.548 63.200 -0.010 0.000 0.773 93 S HN 0.570 nan 8.310 nan 0.000 0.507 94 N N 1.288 119.979 118.700 -0.015 0.000 2.280 94 N HA 0.152 4.892 4.740 -0.001 0.000 0.192 94 N C -0.826 174.675 175.510 -0.015 0.000 1.109 94 N CA 0.338 53.386 53.050 -0.004 0.000 0.855 94 N CB 0.134 38.645 38.487 0.039 0.000 0.974 94 N HN 0.167 nan 8.380 nan 0.000 0.482 95 D N 0.154 120.527 120.400 -0.044 0.000 2.772 95 D HA -0.187 4.452 4.640 -0.001 0.000 0.233 95 D C 0.082 176.378 176.300 -0.006 0.000 1.143 95 D CA 0.807 54.781 54.000 -0.044 0.000 0.700 95 D CB -1.133 39.632 40.800 -0.058 0.000 1.076 95 D HN 0.567 nan 8.370 nan 0.000 0.430 96 E N -0.844 119.374 120.200 0.030 0.000 2.447 96 E HA 0.056 4.406 4.350 -0.001 0.000 0.204 96 E C 1.931 178.507 176.600 -0.040 0.000 0.977 96 E CA -0.392 56.005 56.400 -0.004 0.000 0.950 96 E CB 0.390 30.100 29.700 0.017 0.000 0.975 96 E HN 0.120 nan 8.360 nan 0.000 0.496 97 L N 1.494 122.751 121.223 0.057 0.000 2.017 97 L HA -0.086 4.254 4.340 -0.001 0.000 0.208 97 L C 2.233 179.107 176.870 0.007 0.000 1.073 97 L CA 2.027 56.905 54.840 0.064 0.000 0.745 97 L CB -0.574 41.617 42.059 0.220 0.000 0.894 97 L HN 0.065 nan 8.230 nan 0.000 0.432 98 A N -0.592 122.245 122.820 0.028 0.000 1.908 98 A HA -0.103 4.217 4.320 -0.001 0.000 0.218 98 A C 2.342 179.911 177.584 -0.026 0.000 1.181 98 A CA 1.659 53.703 52.037 0.011 0.000 0.627 98 A CB -1.593 17.419 19.000 0.020 0.000 0.818 98 A HN 0.536 nan 8.150 nan 0.000 0.445 99 G N -0.109 108.663 108.800 -0.046 0.000 2.418 99 G HA2 -0.176 3.783 3.960 -0.001 0.000 0.217 99 G HA3 -0.176 3.783 3.960 -0.001 0.000 0.217 99 G C 1.536 176.378 174.900 -0.096 0.000 1.158 99 G CA 1.111 46.170 45.100 -0.068 0.000 0.771 99 G HN 0.475 nan 8.290 nan 0.000 0.545 100 I N 1.039 121.520 120.570 -0.147 0.000 2.179 100 I HA -0.167 4.003 4.170 -0.001 0.000 0.242 100 I C 2.881 178.927 176.117 -0.118 0.000 1.088 100 I CA 1.294 62.476 61.300 -0.197 0.000 1.357 100 I CB -0.183 37.580 38.000 -0.394 0.000 1.051 100 I HN 0.183 nan 8.210 nan 0.000 0.409 101 V N -1.804 118.063 119.914 -0.078 0.000 2.970 101 V HA -0.077 4.042 4.120 -0.001 0.000 0.260 101 V C 1.774 177.856 176.094 -0.020 0.000 1.100 101 V CA 1.899 64.180 62.300 -0.032 0.000 1.122 101 V CB -0.870 30.949 31.823 -0.006 0.000 0.721 101 V HN 0.384 nan 8.190 nan 0.000 0.483 102 N N 0.750 119.429 118.700 -0.034 0.000 2.392 102 N HA -0.000 4.739 4.740 -0.001 0.000 0.177 102 N C 0.822 176.308 175.510 -0.041 0.000 1.066 102 N CA 0.180 53.210 53.050 -0.033 0.000 0.895 102 N CB -0.104 38.361 38.487 -0.036 0.000 0.988 102 N HN 0.767 nan 8.380 nan 0.000 0.457 103 E N 0.364 120.534 120.200 -0.049 0.000 2.351 103 E HA 0.112 4.462 4.350 -0.001 0.000 0.266 103 E C -1.051 175.526 176.600 -0.037 0.000 1.031 103 E CA 0.132 56.500 56.400 -0.054 0.000 0.911 103 E CB 0.292 29.951 29.700 -0.067 0.000 0.986 103 E HN 0.086 nan 8.360 nan 0.000 0.446 104 S N 3.116 118.786 115.700 -0.050 0.000 2.550 104 S HA 0.171 4.641 4.470 -0.001 0.000 0.270 104 S C 0.228 174.758 174.600 -0.115 0.000 1.145 104 S CA -0.830 57.347 58.200 -0.040 0.000 0.852 104 S CB 1.556 64.761 63.200 0.008 0.000 1.119 104 S HN 0.640 nan 8.310 nan 0.000 0.465 105 K N 1.378 121.650 120.400 -0.213 0.000 2.217 105 K HA 0.050 4.369 4.320 -0.001 0.000 0.202 105 K C -0.592 175.646 176.600 -0.603 0.000 1.051 105 K CA 1.136 57.130 56.287 -0.489 0.000 0.952 105 K CB -0.001 32.039 32.500 -0.766 0.000 0.736 105 K HN 0.623 nan 8.250 nan 0.000 0.453 106 Y N -0.109 120.166 120.300 -0.042 0.000 2.621 106 Y HA 0.172 4.721 4.550 -0.002 0.000 0.334 106 Y C 0.859 176.714 175.900 -0.074 0.000 1.074 106 Y CA -1.223 56.859 58.100 -0.030 0.000 1.149 106 Y CB 1.094 39.566 38.460 0.020 0.000 1.302 106 Y HN -0.145 nan 8.280 nan 0.000 0.501 107 D N -0.019 120.424 120.400 0.070 0.000 2.144 107 D HA -0.132 4.508 4.640 -0.001 0.000 0.199 107 D C -0.535 175.444 176.300 -0.536 0.000 0.984 107 D CA 1.976 55.818 54.000 -0.263 0.000 0.834 107 D CB 0.007 40.648 40.800 -0.265 0.000 0.955 107 D HN 0.380 nan 8.370 nan 0.000 0.465 108 Y N -0.156 120.219 120.300 0.125 0.000 2.545 108 Y HA 0.210 4.759 4.550 -0.002 0.000 0.348 108 Y C 0.974 176.940 175.900 0.111 0.000 1.002 108 Y CA -1.047 57.105 58.100 0.086 0.000 1.039 108 Y CB 1.579 40.074 38.460 0.059 0.000 1.271 108 Y HN -0.333 nan 8.280 nan 0.000 0.467 109 D N 0.820 121.357 120.400 0.228 0.000 2.183 109 D HA -0.033 4.606 4.640 -0.001 0.000 0.203 109 D C -0.276 176.172 176.300 0.246 0.000 0.969 109 D CA 1.507 55.629 54.000 0.202 0.000 0.842 109 D CB 0.518 41.357 40.800 0.064 0.000 0.957 109 D HN 0.228 nan 8.370 nan 0.000 0.484 110 L N 0.550 121.889 121.223 0.194 0.000 2.470 110 L HA 0.405 4.744 4.340 -0.001 0.000 0.268 110 L C -1.554 175.370 176.870 0.090 0.000 0.964 110 L CA -0.506 54.444 54.840 0.184 0.000 0.839 110 L CB 2.125 44.295 42.059 0.186 0.000 1.276 110 L HN -0.235 nan 8.230 nan 0.000 0.403 111 I N 5.578 126.190 120.570 0.070 0.000 2.362 111 I HA 0.457 4.626 4.170 -0.001 0.000 0.289 111 I C -0.707 175.420 176.117 0.017 0.000 0.994 111 I CA -0.944 60.346 61.300 -0.017 0.000 1.158 111 I CB 1.909 39.903 38.000 -0.010 0.000 1.315 111 I HN 0.262 nan 8.210 nan 0.000 0.451 112 V N 7.468 127.379 119.914 -0.005 0.000 2.370 112 V HA 0.371 4.490 4.120 -0.001 0.000 0.279 112 V C 0.228 176.332 176.094 0.018 0.000 1.029 112 V CA -0.432 61.882 62.300 0.023 0.000 0.870 112 V CB 1.394 33.232 31.823 0.025 0.000 0.984 112 V HN 0.473 nan 8.190 nan 0.000 0.451 113 I N 4.831 125.419 120.570 0.031 0.000 2.291 113 I HA 0.691 4.861 4.170 -0.001 0.000 0.290 113 I C 0.735 176.881 176.117 0.047 0.000 1.050 113 I CA -0.005 61.317 61.300 0.036 0.000 1.245 113 I CB 0.935 38.956 38.000 0.034 0.000 1.405 113 I HN 0.862 nan 8.210 nan 0.000 0.478 114 G N 3.590 112.423 108.800 0.056 0.000 3.313 114 G HA2 0.066 4.026 3.960 -0.001 0.000 0.659 114 G HA3 0.066 4.026 3.960 -0.001 0.000 0.659 114 G C -0.168 174.755 174.900 0.038 0.000 1.286 114 G CA -0.605 44.529 45.100 0.056 0.000 1.077 114 G HN 0.915 nan 8.290 nan 0.000 0.551 115 G N 0.679 109.503 108.800 0.039 0.000 4.420 115 G HA2 0.689 4.648 3.960 -0.001 0.000 0.299 115 G HA3 0.689 4.648 3.960 -0.001 0.000 0.299 115 G C 0.740 175.589 174.900 -0.084 0.000 1.343 115 G CA 0.816 45.904 45.100 -0.019 0.000 1.272 115 G HN 1.218 nan 8.290 nan 0.000 0.610 116 G N -0.093 108.667 108.800 -0.066 0.000 2.857 116 G HA2 0.415 4.375 3.960 -0.001 0.000 0.217 116 G HA3 0.415 4.375 3.960 -0.001 0.000 0.217 116 G C 1.169 175.991 174.900 -0.130 0.000 1.357 116 G CA 0.275 45.322 45.100 -0.088 0.000 1.033 116 G HN 0.159 nan 8.290 nan 0.000 0.571 117 S N -0.245 115.401 115.700 -0.091 0.000 2.359 117 S HA -0.160 4.310 4.470 -0.001 0.000 0.223 117 S C 2.448 177.022 174.600 -0.043 0.000 1.039 117 S CA 1.987 60.143 58.200 -0.073 0.000 1.042 117 S CB -0.774 62.412 63.200 -0.024 0.000 0.915 117 S HN 0.797 nan 8.310 nan 0.000 0.439 118 G N 0.834 109.627 108.800 -0.012 0.000 2.404 118 G HA2 0.029 3.989 3.960 -0.001 0.000 0.215 118 G HA3 0.029 3.989 3.960 -0.001 0.000 0.215 118 G C 1.456 176.361 174.900 0.008 0.000 1.174 118 G CA 0.872 45.978 45.100 0.011 0.000 0.780 118 G HN 0.572 nan 8.290 nan 0.000 0.537 119 G N 0.876 109.674 108.800 -0.003 0.000 2.418 119 G HA2 -0.132 3.828 3.960 -0.001 0.000 0.217 119 G HA3 -0.132 3.828 3.960 -0.001 0.000 0.217 119 G C 1.826 176.715 174.900 -0.019 0.000 1.158 119 G CA 0.741 45.842 45.100 0.001 0.000 0.771 119 G HN 0.406 nan 8.290 nan 0.000 0.545 120 L N 0.642 121.824 121.223 -0.070 0.000 2.056 120 L HA -0.018 4.321 4.340 -0.001 0.000 0.207 120 L C 3.409 180.265 176.870 -0.024 0.000 1.078 120 L CA 0.943 55.731 54.840 -0.086 0.000 0.749 120 L CB -0.400 41.522 42.059 -0.228 0.000 0.901 120 L HN 0.302 nan 8.230 nan 0.000 0.433 121 A N 0.147 122.961 122.820 -0.011 0.000 1.877 121 A HA -0.182 4.138 4.320 -0.001 0.000 0.216 121 A C 2.546 180.158 177.584 0.046 0.000 1.186 121 A CA 1.820 53.873 52.037 0.026 0.000 0.620 121 A CB -0.776 18.240 19.000 0.026 0.000 0.822 121 A HN 0.389 nan 8.150 nan 0.000 0.443 122 A N -0.538 122.311 122.820 0.049 0.000 1.877 122 A HA 0.113 4.433 4.320 -0.001 0.000 0.216 122 A C 2.443 180.073 177.584 0.078 0.000 1.186 122 A CA 2.035 54.118 52.037 0.077 0.000 0.620 122 A CB -1.451 17.593 19.000 0.074 0.000 0.822 122 A HN 0.747 nan 8.150 nan 0.000 0.443 123 G N -0.483 108.342 108.800 0.043 0.000 2.421 123 G HA2 -0.220 3.739 3.960 -0.001 0.000 0.216 123 G HA3 -0.220 3.739 3.960 -0.001 0.000 0.216 123 G C 1.699 176.601 174.900 0.003 0.000 1.171 123 G CA 1.086 46.199 45.100 0.022 0.000 0.775 123 G HN 0.557 nan 8.290 nan 0.000 0.543 124 K N 0.010 120.411 120.400 0.002 0.000 2.057 124 K HA -0.075 4.245 4.320 -0.001 0.000 0.207 124 K C 2.408 178.989 176.600 -0.032 0.000 1.049 124 K CA 1.346 57.622 56.287 -0.018 0.000 0.931 124 K CB -0.085 32.412 32.500 -0.005 0.000 0.714 124 K HN 0.273 nan 8.250 nan 0.000 0.440 125 E N 1.011 121.222 120.200 0.019 0.000 2.072 125 E HA -0.136 4.213 4.350 -0.001 0.000 0.191 125 E C 1.741 178.393 176.600 0.087 0.000 0.985 125 E CA 1.397 57.827 56.400 0.050 0.000 0.801 125 E CB -0.122 29.669 29.700 0.152 0.000 0.750 125 E HN 0.283 nan 8.360 nan 0.000 0.452 126 A N 0.850 123.749 122.820 0.131 0.000 1.902 126 A HA -0.093 4.226 4.320 -0.001 0.000 0.217 126 A C 2.457 179.981 177.584 -0.099 0.000 1.181 126 A CA 2.104 54.209 52.037 0.114 0.000 0.623 126 A CB -1.102 17.918 19.000 0.033 0.000 0.818 126 A HN 0.391 nan 8.150 nan 0.000 0.443 127 A N -0.221 122.525 122.820 -0.123 0.000 1.978 127 A HA -0.187 4.132 4.320 -0.001 0.000 0.220 127 A C 2.041 179.510 177.584 -0.192 0.000 1.170 127 A CA 1.857 53.809 52.037 -0.143 0.000 0.636 127 A CB -0.462 18.479 19.000 -0.099 0.000 0.810 127 A HN 0.574 nan 8.150 nan 0.000 0.448 128 K N -1.552 118.663 120.400 -0.309 0.000 2.211 128 K HA -0.164 4.156 4.320 -0.001 0.000 0.204 128 K C 0.576 176.830 176.600 -0.576 0.000 1.047 128 K CA 1.592 57.572 56.287 -0.512 0.000 0.935 128 K CB -0.259 31.776 32.500 -0.775 0.000 0.728 128 K HN 0.717 nan 8.250 nan 0.000 0.452 129 Y N -0.639 119.619 120.300 -0.070 0.000 2.571 129 Y HA 0.249 4.798 4.550 -0.001 0.000 0.275 129 Y C 1.236 177.104 175.900 -0.053 0.000 1.179 129 Y CA -0.056 58.013 58.100 -0.052 0.000 1.242 129 Y CB 0.631 39.101 38.460 0.017 0.000 1.126 129 Y HN 0.168 nan 8.280 nan 0.000 0.524 130 G N 0.049 108.840 108.800 -0.015 0.000 2.157 130 G HA2 -0.220 3.740 3.960 -0.001 0.000 0.248 130 G HA3 -0.220 3.740 3.960 -0.001 0.000 0.248 130 G C 0.392 175.239 174.900 -0.088 0.000 0.979 130 G CA -0.156 44.934 45.100 -0.017 0.000 0.650 130 G HN 0.654 nan 8.290 nan 0.000 0.529 131 A N 0.674 123.346 122.820 -0.247 0.000 2.491 131 A HA 0.519 4.838 4.320 -0.001 0.000 0.261 131 A C 0.795 178.250 177.584 -0.215 0.000 1.101 131 A CA 0.314 52.081 52.037 -0.450 0.000 0.772 131 A CB 0.196 18.445 19.000 -1.252 0.000 1.043 131 A HN 0.426 nan 8.150 nan 0.000 0.501 132 K N 2.781 123.132 120.400 -0.083 0.000 2.382 132 K HA 0.216 4.535 4.320 -0.001 0.000 0.286 132 K C -0.448 176.238 176.600 0.144 0.000 1.062 132 K CA 0.486 56.803 56.287 0.050 0.000 1.000 132 K CB 0.210 32.752 32.500 0.070 0.000 0.954 132 K HN 0.663 nan 8.250 nan 0.000 0.470 133 T N 1.342 115.966 114.554 0.117 0.000 2.841 133 T HA 0.526 4.875 4.350 -0.001 0.000 0.283 133 T C -0.818 173.825 174.700 -0.094 0.000 1.000 133 T CA -0.765 61.346 62.100 0.019 0.000 0.977 133 T CB 1.766 70.605 68.868 -0.047 0.000 0.979 133 T HN 0.599 nan 8.240 nan 0.000 0.446 134 A N 2.333 124.954 122.820 -0.332 0.000 2.343 134 A HA 0.792 5.111 4.320 -0.001 0.000 0.316 134 A C -0.842 176.621 177.584 -0.201 0.000 1.104 134 A CA -0.648 51.114 52.037 -0.458 0.000 0.768 134 A CB 1.165 19.508 19.000 -1.096 0.000 1.213 134 A HN 0.664 nan 8.150 nan 0.000 0.456 135 V N 3.745 123.615 119.914 -0.074 0.000 2.409 135 V HA 0.385 4.505 4.120 -0.001 0.000 0.291 135 V C -0.386 175.760 176.094 0.087 0.000 1.020 135 V CA -0.266 62.049 62.300 0.024 0.000 0.848 135 V CB 1.209 33.070 31.823 0.063 0.000 0.990 135 V HN 0.753 nan 8.190 nan 0.000 0.430 136 L N 4.221 125.474 121.223 0.049 0.000 2.295 136 L HA 0.697 5.036 4.340 -0.001 0.000 0.285 136 L C -0.725 176.223 176.870 0.130 0.000 1.035 136 L CA -0.293 54.579 54.840 0.052 0.000 0.806 136 L CB 1.588 43.650 42.059 0.004 0.000 1.214 136 L HN 0.575 nan 8.230 nan 0.000 0.426 137 D N 1.450 121.969 120.400 0.198 0.000 2.879 137 D HA 0.484 5.124 4.640 -0.001 0.000 0.236 137 D C -1.756 174.675 176.300 0.218 0.000 1.171 137 D CA -0.226 53.902 54.000 0.214 0.000 0.868 137 D CB 1.981 42.938 40.800 0.262 0.000 1.598 137 D HN 0.331 nan 8.370 nan 0.000 0.497 138 Y N 3.058 123.372 120.300 0.023 0.000 2.433 138 Y HA 0.547 5.099 4.550 0.002 0.000 0.337 138 Y C -1.954 173.905 175.900 -0.067 0.000 1.026 138 Y CA -0.856 57.229 58.100 -0.026 0.000 1.037 138 Y CB 1.590 40.029 38.460 -0.035 0.000 1.245 138 Y HN 0.193 nan 8.280 nan 0.000 0.443 139 V N 6.330 125.770 119.914 -0.790 0.000 2.293 139 V HA 0.239 4.358 4.120 -0.001 0.000 0.275 139 V C -0.074 175.282 176.094 -1.230 0.000 1.021 139 V CA -0.853 60.901 62.300 -0.910 0.000 0.815 139 V CB 1.056 32.311 31.823 -0.948 0.000 1.025 139 V HN 0.807 nan 8.190 nan 0.000 0.448 140 E N 6.578 126.111 120.200 -1.112 0.000 2.366 140 E HA 0.172 4.522 4.350 -0.001 0.000 0.266 140 E C -2.264 174.098 176.600 -0.396 0.000 1.015 140 E CA -1.465 54.549 56.400 -0.642 0.000 0.906 140 E CB 0.925 30.503 29.700 -0.203 0.000 0.979 140 E HN 0.423 nan 8.360 nan 0.000 0.443 141 P HA -0.038 nan 4.420 nan 0.000 0.267 141 P C -0.463 176.801 177.300 -0.060 0.000 1.200 141 P CA -0.099 62.901 63.100 -0.167 0.000 0.772 141 P CB 0.555 32.212 31.700 -0.072 0.000 0.855 142 T N 0.377 114.941 114.554 0.016 0.000 2.748 142 T HA 0.123 4.473 4.350 -0.001 0.000 0.304 142 T C -1.672 173.074 174.700 0.077 0.000 1.041 142 T CA -1.097 61.069 62.100 0.110 0.000 1.033 142 T CB -0.432 68.559 68.868 0.205 0.000 0.995 142 T HN 0.195 nan 8.240 nan 0.000 0.536 143 P HA -0.018 nan 4.420 nan 0.000 0.218 143 P C 1.509 178.836 177.300 0.045 0.000 1.148 143 P CA 0.971 64.080 63.100 0.016 0.000 0.822 143 P CB -0.321 31.346 31.700 -0.055 0.000 0.784 144 I N -5.886 114.740 120.570 0.093 0.000 3.428 144 I HA 0.348 4.518 4.170 -0.001 0.000 0.286 144 I C 1.270 177.442 176.117 0.093 0.000 1.287 144 I CA 0.811 62.171 61.300 0.100 0.000 1.396 144 I CB -0.635 37.448 38.000 0.137 0.000 1.062 144 I HN 0.054 nan 8.210 nan 0.000 0.471 145 G N 0.879 109.729 108.800 0.082 0.000 2.184 145 G HA2 -0.210 3.750 3.960 -0.001 0.000 0.206 145 G HA3 -0.210 3.750 3.960 -0.001 0.000 0.206 145 G C 0.241 175.184 174.900 0.071 0.000 0.995 145 G CA 0.030 45.169 45.100 0.064 0.000 0.651 145 G HN 0.398 nan 8.290 nan 0.000 0.511 146 T N 1.482 116.106 114.554 0.116 0.000 2.902 146 T HA 0.501 4.851 4.350 -0.001 0.000 0.301 146 T C 0.331 175.079 174.700 0.080 0.000 1.012 146 T CA 1.312 63.516 62.100 0.172 0.000 1.151 146 T CB 1.784 70.825 68.868 0.287 0.000 0.946 146 T HN 0.508 nan 8.240 nan 0.000 0.542 147 T N 2.082 116.676 114.554 0.065 0.000 2.812 147 T HA 0.734 5.083 4.350 -0.001 0.000 0.294 147 T C -1.885 172.866 174.700 0.085 0.000 1.159 147 T CA -0.884 61.081 62.100 -0.224 0.000 1.008 147 T CB 0.992 69.702 68.868 -0.264 0.000 1.289 147 T HN 0.813 nan 8.240 nan 0.000 0.514 148 W N -0.340 120.972 121.300 0.019 0.000 2.923 148 W HA 0.791 5.452 4.660 0.001 0.000 0.373 148 W C -0.267 176.271 176.519 0.033 0.000 1.205 148 W CA -0.843 56.521 57.345 0.031 0.000 1.180 148 W CB 0.141 29.622 29.460 0.035 0.000 1.477 148 W HN 0.888 nan 8.180 nan 0.000 0.581 149 G N 0.312 109.303 108.800 0.318 0.000 2.606 149 G HA2 0.506 4.466 3.960 -0.001 0.000 0.262 149 G HA3 0.506 4.466 3.960 -0.001 0.000 0.262 149 G C -1.209 173.821 174.900 0.217 0.000 1.394 149 G CA -1.099 44.124 45.100 0.206 0.000 1.044 149 G HN 0.839 nan 8.290 nan 0.000 0.553 150 L N -0.032 121.269 121.223 0.130 0.000 2.456 150 L HA 0.486 4.825 4.340 -0.001 0.000 0.272 150 L C 1.280 178.158 176.870 0.014 0.000 1.189 150 L CA 2.037 56.895 54.840 0.030 0.000 0.846 150 L CB 1.041 43.006 42.059 -0.157 0.000 1.111 150 L HN 1.144 nan 8.230 nan 0.000 0.475 151 G N 1.443 110.181 108.800 -0.104 0.000 2.813 151 G HA2 0.328 4.287 3.960 -0.001 0.000 0.194 151 G HA3 0.328 4.287 3.960 -0.001 0.000 0.194 151 G C 0.687 175.488 174.900 -0.165 0.000 1.010 151 G CA 0.047 44.983 45.100 -0.273 0.000 0.771 151 G HN 1.821 nan 8.290 nan 0.000 0.485 152 G N -1.011 107.795 108.800 0.010 0.000 2.627 152 G HA2 0.130 4.089 3.960 -0.001 0.000 0.214 152 G HA3 0.130 4.089 3.960 -0.001 0.000 0.214 152 G C 0.761 175.696 174.900 0.059 0.000 1.331 152 G CA 0.645 45.782 45.100 0.062 0.000 0.891 152 G HN 1.090 nan 8.290 nan 0.000 0.539 153 T N -0.475 114.106 114.554 0.046 0.000 2.708 153 T HA -0.177 4.173 4.350 -0.001 0.000 0.266 153 T C 2.471 177.112 174.700 -0.098 0.000 1.037 153 T CA 2.643 64.735 62.100 -0.014 0.000 1.146 153 T CB -0.630 68.263 68.868 0.042 0.000 0.865 153 T HN 1.084 nan 8.240 nan 0.000 0.435 154 c N 1.242 119.807 118.600 -0.059 0.000 2.436 154 c HA -0.058 4.511 4.570 -0.001 0.000 0.277 154 c C 2.777 176.793 174.090 -0.125 0.000 1.241 154 c CA 0.657 56.941 56.329 -0.075 0.000 1.721 154 c CB -1.241 41.251 42.510 -0.030 0.000 2.043 154 c HN 0.376 nan 8.230 nan 0.000 0.472 155 V N 1.894 121.752 119.914 -0.094 0.000 2.295 155 V HA -0.188 3.931 4.120 -0.001 0.000 0.246 155 V C 2.293 178.291 176.094 -0.160 0.000 1.049 155 V CA 2.493 64.748 62.300 -0.075 0.000 1.024 155 V CB -0.663 31.163 31.823 0.005 0.000 0.648 155 V HN 0.609 nan 8.190 nan 0.000 0.447 156 N N -0.138 118.413 118.700 -0.248 0.000 2.436 156 N HA 0.026 4.765 4.740 -0.001 0.000 0.178 156 N C 1.027 176.212 175.510 -0.542 0.000 1.026 156 N CA 1.592 54.396 53.050 -0.409 0.000 0.880 156 N CB 1.069 39.152 38.487 -0.672 0.000 1.061 156 N HN 0.536 nan 8.380 nan 0.000 0.434 157 V N -3.067 116.518 119.914 -0.549 0.000 3.047 157 V HA 0.679 4.799 4.120 -0.001 0.000 0.374 157 V C 0.345 176.302 176.094 -0.228 0.000 1.399 157 V CA -0.311 61.769 62.300 -0.366 0.000 1.251 157 V CB 0.554 32.029 31.823 -0.581 0.000 1.228 157 V HN 0.150 nan 8.190 nan 0.000 0.589 158 G N -0.077 108.481 108.800 -0.404 0.000 3.321 158 G HA2 0.233 4.192 3.960 -0.001 0.000 0.169 158 G HA3 0.233 4.192 3.960 -0.001 0.000 0.169 158 G C 0.860 175.584 174.900 -0.293 0.000 1.153 158 G CA 0.629 45.595 45.100 -0.224 0.000 1.007 158 G HN 0.283 nan 8.290 nan 0.000 0.668 159 c N 0.981 119.499 118.600 -0.136 0.000 2.401 159 c HA -0.021 4.549 4.570 -0.001 0.000 0.276 159 c C 2.718 176.673 174.090 -0.226 0.000 1.233 159 c CA 0.486 56.741 56.329 -0.124 0.000 1.753 159 c CB -1.308 41.168 42.510 -0.056 0.000 2.029 159 c HN 0.403 nan 8.230 nan 0.000 0.478 160 I N 2.426 122.862 120.570 -0.224 0.000 2.110 160 I HA -0.082 4.088 4.170 -0.001 0.000 0.236 160 I C 0.173 176.119 176.117 -0.285 0.000 1.068 160 I CA 1.668 62.852 61.300 -0.195 0.000 1.333 160 I CB -2.686 35.252 38.000 -0.104 0.000 1.054 160 I HN 0.213 nan 8.210 nan 0.000 0.402 161 P HA -0.176 nan 4.420 nan 0.000 0.219 161 P C 1.617 178.560 177.300 -0.594 0.000 1.150 161 P CA 1.419 64.200 63.100 -0.531 0.000 0.814 161 P CB -0.135 31.137 31.700 -0.714 0.000 0.787 162 K N 1.452 121.417 120.400 -0.726 0.000 2.009 162 K HA -0.180 4.140 4.320 -0.001 0.000 0.210 162 K C 2.088 178.593 176.600 -0.158 0.000 1.049 162 K CA 1.720 57.866 56.287 -0.236 0.000 0.929 162 K CB -0.596 31.881 32.500 -0.038 0.000 0.714 162 K HN 0.015 nan 8.250 nan 0.000 0.440 163 K N 0.520 120.774 120.400 -0.243 0.000 2.155 163 K HA -0.026 4.294 4.320 -0.001 0.000 0.203 163 K C 2.376 178.880 176.600 -0.160 0.000 1.052 163 K CA 0.672 56.812 56.287 -0.244 0.000 0.948 163 K CB 0.003 32.240 32.500 -0.439 0.000 0.728 163 K HN 0.151 nan 8.250 nan 0.000 0.448 164 L N 0.350 121.446 121.223 -0.212 0.000 2.056 164 L HA -0.172 4.167 4.340 -0.001 0.000 0.207 164 L C 2.532 179.265 176.870 -0.228 0.000 1.078 164 L CA 1.156 55.875 54.840 -0.200 0.000 0.749 164 L CB -0.242 41.700 42.059 -0.197 0.000 0.901 164 L HN 0.251 nan 8.230 nan 0.000 0.433 165 M N -1.446 117.944 119.600 -0.350 0.000 2.200 165 M HA -0.205 4.275 4.480 -0.001 0.000 0.265 165 M C 2.341 178.415 176.300 -0.376 0.000 1.066 165 M CA 1.387 56.349 55.300 -0.563 0.000 1.127 165 M CB -0.644 31.216 32.600 -1.233 0.000 1.379 165 M HN 0.269 nan 8.290 nan 0.000 0.420 166 H N 0.615 119.525 119.070 -0.265 0.000 2.352 166 H HA -0.236 4.319 4.556 -0.001 0.000 0.299 166 H C 2.020 177.364 175.328 0.026 0.000 1.097 166 H CA 2.407 58.482 56.048 0.046 0.000 1.311 166 H CB -0.138 29.692 29.762 0.113 0.000 1.377 166 H HN 0.288 nan 8.280 nan 0.000 0.504 167 Q N 0.324 120.029 119.800 -0.158 0.000 2.084 167 Q HA -0.039 4.301 4.340 -0.001 0.000 0.202 167 Q C 2.419 178.331 176.000 -0.146 0.000 0.978 167 Q CA 1.865 57.557 55.803 -0.186 0.000 0.844 167 Q CB -0.737 27.922 28.738 -0.132 0.000 0.898 167 Q HN 0.555 nan 8.270 nan 0.000 0.426 168 A N -0.124 122.616 122.820 -0.132 0.000 1.940 168 A HA -0.102 4.218 4.320 -0.001 0.000 0.219 168 A C 2.274 179.780 177.584 -0.129 0.000 1.176 168 A CA 1.751 53.721 52.037 -0.112 0.000 0.631 168 A CB -1.439 17.496 19.000 -0.109 0.000 0.814 168 A HN 0.569 nan 8.150 nan 0.000 0.446 169 G N -0.226 108.524 108.800 -0.083 0.000 2.421 169 G HA2 -0.152 3.807 3.960 -0.001 0.000 0.216 169 G HA3 -0.152 3.807 3.960 -0.001 0.000 0.216 169 G C 1.542 176.409 174.900 -0.054 0.000 1.171 169 G CA 0.982 46.071 45.100 -0.018 0.000 0.775 169 G HN 0.436 nan 8.290 nan 0.000 0.543 170 L N 0.024 121.208 121.223 -0.065 0.000 2.079 170 L HA -0.028 4.311 4.340 -0.001 0.000 0.210 170 L C 2.857 179.717 176.870 -0.016 0.000 1.081 170 L CA 0.486 55.329 54.840 0.005 0.000 0.752 170 L CB -0.357 41.636 42.059 -0.110 0.000 0.896 170 L HN 0.186 nan 8.230 nan 0.000 0.433 171 L N -1.212 119.964 121.223 -0.078 0.000 2.191 171 L HA -0.202 4.138 4.340 -0.001 0.000 0.212 171 L C 2.806 179.612 176.870 -0.107 0.000 1.103 171 L CA 0.863 55.657 54.840 -0.076 0.000 0.769 171 L CB -0.499 41.517 42.059 -0.073 0.000 0.908 171 L HN 0.228 nan 8.230 nan 0.000 0.438 172 S N -0.722 114.852 115.700 -0.209 0.000 2.365 172 S HA -0.229 4.241 4.470 -0.001 0.000 0.225 172 S C 1.994 176.414 174.600 -0.300 0.000 1.039 172 S CA 1.428 59.438 58.200 -0.318 0.000 1.033 172 S CB -0.243 62.629 63.200 -0.548 0.000 0.887 172 S HN 0.502 nan 8.310 nan 0.000 0.447 173 H N 0.376 119.463 119.070 0.028 0.000 2.482 173 H HA 0.292 4.847 4.556 -0.001 0.000 0.286 173 H C 2.409 177.766 175.328 0.048 0.000 1.017 173 H CA 0.919 56.991 56.048 0.039 0.000 1.322 173 H CB -0.769 29.010 29.762 0.029 0.000 1.426 173 H HN 0.518 nan 8.280 nan 0.000 0.546 174 A N 1.577 124.454 122.820 0.095 0.000 1.933 174 A HA -0.098 4.222 4.320 -0.001 0.000 0.218 174 A C 2.582 180.190 177.584 0.039 0.000 1.175 174 A CA 0.870 52.940 52.037 0.054 0.000 0.628 174 A CB -0.832 18.164 19.000 -0.007 0.000 0.814 174 A HN 0.255 nan 8.150 nan 0.000 0.444 175 L N -0.599 120.631 121.223 0.012 0.000 2.046 175 L HA -0.231 4.109 4.340 -0.001 0.000 0.208 175 L C 2.628 179.538 176.870 0.067 0.000 1.077 175 L CA 1.773 56.620 54.840 0.011 0.000 0.747 175 L CB -0.653 41.399 42.059 -0.011 0.000 0.896 175 L HN 0.504 nan 8.230 nan 0.000 0.432 176 E N 0.003 120.264 120.200 0.103 0.000 2.028 176 E HA -0.215 4.135 4.350 -0.001 0.000 0.191 176 E C 1.765 178.504 176.600 0.233 0.000 0.988 176 E CA 1.322 57.813 56.400 0.152 0.000 0.799 176 E CB -0.181 29.633 29.700 0.191 0.000 0.755 176 E HN 0.441 nan 8.360 nan 0.000 0.447 177 D N 0.913 121.477 120.400 0.274 0.000 2.149 177 D HA -0.155 4.485 4.640 -0.001 0.000 0.198 177 D C 1.919 178.506 176.300 0.478 0.000 0.990 177 D CA 1.317 55.564 54.000 0.411 0.000 0.839 177 D CB -0.377 40.617 40.800 0.323 0.000 0.948 177 D HN 0.189 nan 8.370 nan 0.000 0.460 178 A N 1.171 124.174 122.820 0.304 0.000 1.917 178 A HA -0.278 4.042 4.320 -0.001 0.000 0.219 178 A C 2.059 179.905 177.584 0.436 0.000 1.182 178 A CA 1.812 54.064 52.037 0.359 0.000 0.633 178 A CB -0.608 18.465 19.000 0.122 0.000 0.819 178 A HN 0.276 nan 8.150 nan 0.000 0.448 179 E N -0.995 119.342 120.200 0.229 0.000 2.058 179 E HA -0.218 4.131 4.350 -0.001 0.000 0.194 179 E C 1.885 178.497 176.600 0.020 0.000 0.997 179 E CA 1.349 57.792 56.400 0.072 0.000 0.801 179 E CB -0.406 29.224 29.700 -0.116 0.000 0.746 179 E HN 0.755 nan 8.360 nan 0.000 0.450 180 H N -0.917 118.276 119.070 0.205 0.000 2.491 180 H HA -0.052 4.503 4.556 -0.001 0.000 0.290 180 H C 1.363 176.660 175.328 -0.052 0.000 1.050 180 H CA 0.796 56.888 56.048 0.074 0.000 1.309 180 H CB -0.078 29.704 29.762 0.033 0.000 1.392 180 H HN 0.178 nan 8.280 nan 0.000 0.554 181 F N -0.154 119.924 119.950 0.213 0.000 2.732 181 F HA 0.236 4.763 4.527 -0.001 0.000 0.303 181 F C 1.642 177.456 175.800 0.023 0.000 1.110 181 F CA 0.538 58.629 58.000 0.151 0.000 1.355 181 F CB 0.699 39.836 39.000 0.227 0.000 1.081 181 F HN 0.237 nan 8.300 nan 0.000 0.565 182 G N -1.222 107.647 108.800 0.115 0.000 2.179 182 G HA2 -0.271 3.689 3.960 -0.001 0.000 0.220 182 G HA3 -0.271 3.689 3.960 -0.001 0.000 0.220 182 G C -0.173 174.630 174.900 -0.161 0.000 0.990 182 G CA -0.782 44.275 45.100 -0.071 0.000 0.646 182 G HN 0.235 nan 8.290 nan 0.000 0.517 183 W N 1.541 122.891 121.300 0.083 0.000 2.266 183 W HA 0.598 5.258 4.660 -0.000 0.000 0.317 183 W C 0.858 177.393 176.519 0.026 0.000 1.310 183 W CA 0.158 57.534 57.345 0.053 0.000 1.207 183 W CB 1.393 30.887 29.460 0.057 0.000 1.199 183 W HN 0.167 nan 8.180 nan 0.000 0.544 184 S N 5.445 121.287 115.700 0.237 0.000 2.410 184 S HA 0.660 5.130 4.470 -0.001 0.000 0.304 184 S C -0.926 173.763 174.600 0.147 0.000 1.095 184 S CA -0.661 57.621 58.200 0.137 0.000 1.089 184 S CB -0.674 62.573 63.200 0.078 0.000 0.968 184 S HN 0.386 nan 8.310 nan 0.000 0.480 185 L N 2.165 123.453 121.223 0.108 0.000 2.518 185 L HA 0.721 5.061 4.340 -0.001 0.000 0.257 185 L C -1.067 175.831 176.870 0.047 0.000 0.980 185 L CA -0.857 54.030 54.840 0.078 0.000 0.837 185 L CB 1.495 43.600 42.059 0.077 0.000 1.410 185 L HN 0.284 nan 8.230 nan 0.000 0.410 186 D N 0.869 121.290 120.400 0.034 0.000 2.456 186 D HA 0.330 4.970 4.640 -0.001 0.000 0.219 186 D C 0.792 177.104 176.300 0.020 0.000 1.126 186 D CA -0.154 53.861 54.000 0.024 0.000 0.890 186 D CB 1.031 41.843 40.800 0.019 0.000 1.025 186 D HN 0.629 nan 8.370 nan 0.000 0.511 187 R N 1.051 121.564 120.500 0.021 0.000 2.148 187 R HA -0.098 4.242 4.340 -0.001 0.000 0.227 187 R C 2.009 178.319 176.300 0.018 0.000 1.103 187 R CA 1.157 57.270 56.100 0.021 0.000 0.983 187 R CB 0.010 30.326 30.300 0.025 0.000 0.874 187 R HN 0.411 nan 8.270 nan 0.000 0.451 188 S N 0.676 116.385 115.700 0.015 0.000 2.507 188 S HA -0.081 4.388 4.470 -0.001 0.000 0.235 188 S C 1.381 175.986 174.600 0.009 0.000 0.988 188 S CA 0.899 59.106 58.200 0.012 0.000 0.944 188 S CB 0.064 63.270 63.200 0.010 0.000 0.762 188 S HN 0.262 nan 8.310 nan 0.000 0.526 189 K N 0.133 120.538 120.400 0.009 0.000 2.373 189 K HA 0.409 4.729 4.320 -0.001 0.000 0.202 189 K C -0.379 176.225 176.600 0.006 0.000 1.025 189 K CA -0.094 56.197 56.287 0.006 0.000 1.115 189 K CB 0.432 32.935 32.500 0.006 0.000 0.858 189 K HN 0.421 nan 8.250 nan 0.000 0.525 190 I N 1.840 122.416 120.570 0.010 0.000 2.359 190 I HA 0.081 4.251 4.170 -0.001 0.000 0.294 190 I C 0.164 176.293 176.117 0.019 0.000 0.987 190 I CA -0.387 60.921 61.300 0.012 0.000 1.225 190 I CB 1.625 39.633 38.000 0.014 0.000 1.366 190 I HN 0.000 nan 8.210 nan 0.000 0.466 191 S N 3.659 119.373 115.700 0.023 0.000 2.627 191 S HA 0.529 4.998 4.470 -0.001 0.000 0.283 191 S C -1.066 173.580 174.600 0.077 0.000 1.127 191 S CA -0.883 57.340 58.200 0.038 0.000 0.863 191 S CB 1.884 65.088 63.200 0.006 0.000 1.121 191 S HN 0.650 nan 8.310 nan 0.000 0.479 192 H N 1.143 120.218 119.070 0.009 0.000 2.457 192 H HA 0.560 5.116 4.556 -0.001 0.000 0.335 192 H C -0.671 174.694 175.328 0.061 0.000 1.115 192 H CA -0.394 55.681 56.048 0.045 0.000 1.219 192 H CB 1.120 30.939 29.762 0.094 0.000 1.471 192 H HN 0.637 nan 8.280 nan 0.000 0.491 193 N N 5.598 123.993 118.700 -0.510 0.000 2.501 193 N HA -0.049 4.690 4.740 -0.001 0.000 0.245 193 N C 0.805 176.147 175.510 -0.280 0.000 0.974 193 N CA -0.445 52.450 53.050 -0.258 0.000 0.941 193 N CB 0.295 38.683 38.487 -0.164 0.000 1.122 193 N HN 0.809 nan 8.380 nan 0.000 0.507 194 W N 4.214 125.514 121.300 -0.000 0.000 2.318 194 W HA -0.195 4.465 4.660 -0.001 0.000 0.313 194 W C 0.795 177.374 176.519 0.100 0.000 1.221 194 W CA 1.268 58.754 57.345 0.234 0.000 1.266 194 W CB -0.384 29.386 29.460 0.516 0.000 1.150 194 W HN 0.429 nan 8.180 nan 0.000 0.496 195 S N 0.455 116.250 115.700 0.160 0.000 2.368 195 S HA -0.169 4.301 4.470 -0.001 0.000 0.224 195 S C 1.715 176.266 174.600 -0.082 0.000 1.029 195 S CA 2.132 60.359 58.200 0.045 0.000 0.988 195 S CB -0.654 62.649 63.200 0.172 0.000 0.838 195 S HN 0.293 nan 8.310 nan 0.000 0.462 196 T N 2.428 116.929 114.554 -0.088 0.000 2.684 196 T HA -0.131 4.219 4.350 -0.001 0.000 0.267 196 T C 1.774 176.384 174.700 -0.149 0.000 1.036 196 T CA 1.475 63.509 62.100 -0.111 0.000 1.148 196 T CB -0.322 68.474 68.868 -0.119 0.000 0.863 196 T HN 0.351 nan 8.240 nan 0.000 0.436 197 M N 0.884 120.362 119.600 -0.203 0.000 2.065 197 M HA -0.138 4.342 4.480 -0.001 0.000 0.259 197 M C 2.263 178.405 176.300 -0.263 0.000 1.069 197 M CA 1.700 56.884 55.300 -0.192 0.000 1.110 197 M CB -0.432 32.102 32.600 -0.110 0.000 1.328 197 M HN 0.093 nan 8.290 nan 0.000 0.405 198 V N 1.127 120.794 119.914 -0.411 0.000 2.282 198 V HA -0.292 3.828 4.120 -0.001 0.000 0.249 198 V C 2.410 178.404 176.094 -0.166 0.000 1.057 198 V CA 2.053 64.141 62.300 -0.354 0.000 1.032 198 V CB -0.959 30.617 31.823 -0.411 0.000 0.645 198 V HN 0.507 nan 8.190 nan 0.000 0.447 199 E N 0.459 120.586 120.200 -0.122 0.000 2.085 199 E HA -0.188 4.161 4.350 -0.001 0.000 0.194 199 E C 2.349 178.911 176.600 -0.063 0.000 0.994 199 E CA 1.604 57.965 56.400 -0.066 0.000 0.801 199 E CB -0.834 28.838 29.700 -0.048 0.000 0.743 199 E HN 0.634 nan 8.360 nan 0.000 0.453 200 G N 0.973 109.724 108.800 -0.082 0.000 2.421 200 G HA2 -0.219 3.741 3.960 -0.001 0.000 0.216 200 G HA3 -0.219 3.741 3.960 -0.001 0.000 0.216 200 G C 1.879 176.747 174.900 -0.053 0.000 1.171 200 G CA 1.038 46.097 45.100 -0.068 0.000 0.775 200 G HN 0.197 nan 8.290 nan 0.000 0.543 201 V N 0.492 120.356 119.914 -0.083 0.000 2.295 201 V HA -0.187 3.932 4.120 -0.001 0.000 0.246 201 V C 2.995 179.074 176.094 -0.025 0.000 1.049 201 V CA 1.890 64.150 62.300 -0.067 0.000 1.024 201 V CB -0.394 31.352 31.823 -0.128 0.000 0.648 201 V HN 0.296 nan 8.190 nan 0.000 0.447 202 Q N -0.553 119.225 119.800 -0.037 0.000 2.167 202 Q HA -0.141 4.199 4.340 -0.001 0.000 0.202 202 Q C 2.557 178.555 176.000 -0.004 0.000 0.970 202 Q CA 1.769 57.564 55.803 -0.013 0.000 0.855 202 Q CB -0.608 28.129 28.738 -0.002 0.000 0.911 202 Q HN 0.634 nan 8.270 nan 0.000 0.438 203 S N -0.168 115.530 115.700 -0.004 0.000 2.368 203 S HA -0.183 4.287 4.470 -0.001 0.000 0.224 203 S C 1.884 176.493 174.600 0.016 0.000 1.029 203 S CA 1.071 59.270 58.200 -0.003 0.000 0.988 203 S CB -0.237 62.956 63.200 -0.011 0.000 0.838 203 S HN 0.534 nan 8.310 nan 0.000 0.462 204 H N 0.610 119.647 119.070 -0.055 0.000 2.321 204 H HA -0.017 4.539 4.556 -0.000 0.000 0.300 204 H C 2.140 177.450 175.328 -0.030 0.000 1.087 204 H CA 1.829 57.846 56.048 -0.052 0.000 1.319 204 H CB -0.282 29.438 29.762 -0.070 0.000 1.379 204 H HN 0.446 nan 8.280 nan 0.000 0.501 205 I N 0.553 121.031 120.570 -0.154 0.000 2.194 205 I HA -0.242 3.928 4.170 -0.001 0.000 0.246 205 I C 2.950 179.016 176.117 -0.086 0.000 1.093 205 I CA 1.246 62.454 61.300 -0.154 0.000 1.355 205 I CB -0.661 37.297 38.000 -0.070 0.000 1.046 205 I HN 0.335 nan 8.210 nan 0.000 0.413 206 G N 0.604 109.382 108.800 -0.036 0.000 2.469 206 G HA2 -0.333 3.626 3.960 -0.001 0.000 0.219 206 G HA3 -0.333 3.626 3.960 -0.001 0.000 0.219 206 G C 1.793 176.706 174.900 0.022 0.000 1.150 206 G CA 1.263 46.371 45.100 0.012 0.000 0.763 206 G HN 0.527 nan 8.290 nan 0.000 0.561 207 S N 0.335 116.006 115.700 -0.047 0.000 2.402 207 S HA 0.048 4.518 4.470 -0.001 0.000 0.229 207 S C 2.339 176.952 174.600 0.021 0.000 1.021 207 S CA 1.079 59.274 58.200 -0.009 0.000 0.974 207 S CB -0.295 62.876 63.200 -0.048 0.000 0.800 207 S HN 0.322 nan 8.310 nan 0.000 0.484 208 L N 1.356 122.503 121.223 -0.128 0.000 2.072 208 L HA -0.029 4.311 4.340 -0.001 0.000 0.205 208 L C 2.626 179.534 176.870 0.064 0.000 1.079 208 L CA 0.994 55.760 54.840 -0.123 0.000 0.752 208 L CB -0.861 41.108 42.059 -0.149 0.000 0.906 208 L HN 0.275 nan 8.230 nan 0.000 0.436 209 N N -0.133 118.642 118.700 0.126 0.000 2.061 209 N HA -0.269 4.471 4.740 -0.001 0.000 0.193 209 N C 1.503 177.110 175.510 0.162 0.000 1.030 209 N CA 1.727 54.880 53.050 0.172 0.000 0.856 209 N CB -0.560 38.019 38.487 0.154 0.000 1.023 209 N HN 0.446 nan 8.380 nan 0.000 0.424 210 W N 1.861 123.150 121.300 -0.018 0.000 2.355 210 W HA -0.013 4.646 4.660 -0.001 0.000 0.309 210 W C 2.410 178.891 176.519 -0.063 0.000 1.206 210 W CA 2.041 59.368 57.345 -0.029 0.000 1.284 210 W CB -0.843 28.597 29.460 -0.034 0.000 1.145 210 W HN 0.067 nan 8.180 nan 0.000 0.502 211 G N -0.659 108.147 108.800 0.009 0.000 2.440 211 G HA2 -0.361 3.599 3.960 -0.001 0.000 0.218 211 G HA3 -0.361 3.599 3.960 -0.001 0.000 0.218 211 G C 1.210 175.876 174.900 -0.389 0.000 1.154 211 G CA 1.353 46.284 45.100 -0.281 0.000 0.767 211 G HN 0.359 nan 8.290 nan 0.000 0.552 212 Y N 0.912 121.106 120.300 -0.178 0.000 2.242 212 Y HA 0.026 4.576 4.550 -0.001 0.000 0.291 212 Y C 2.868 178.598 175.900 -0.283 0.000 1.137 212 Y CA 1.250 59.228 58.100 -0.203 0.000 1.181 212 Y CB -0.110 38.246 38.460 -0.172 0.000 0.989 212 Y HN 0.116 nan 8.280 nan 0.000 0.527 213 K N -0.444 119.847 120.400 -0.183 0.000 2.026 213 K HA -0.143 4.176 4.320 -0.001 0.000 0.208 213 K C 2.058 178.491 176.600 -0.278 0.000 1.048 213 K CA 1.628 57.759 56.287 -0.260 0.000 0.929 213 K CB -0.600 31.778 32.500 -0.203 0.000 0.713 213 K HN 0.114 nan 8.250 nan 0.000 0.439 214 V N 1.509 121.145 119.914 -0.462 0.000 2.332 214 V HA -0.281 3.839 4.120 -0.001 0.000 0.248 214 V C 2.405 178.325 176.094 -0.290 0.000 1.055 214 V CA 2.055 64.064 62.300 -0.486 0.000 1.038 214 V CB -0.733 30.571 31.823 -0.865 0.000 0.651 214 V HN 0.367 nan 8.190 nan 0.000 0.450 215 A N -0.179 122.489 122.820 -0.253 0.000 1.883 215 A HA -0.192 4.128 4.320 -0.001 0.000 0.217 215 A C 2.220 179.743 177.584 -0.101 0.000 1.186 215 A CA 2.003 53.949 52.037 -0.152 0.000 0.624 215 A CB -0.579 18.356 19.000 -0.108 0.000 0.822 215 A HN 0.508 nan 8.150 nan 0.000 0.444 216 L N -1.205 119.962 121.223 -0.093 0.000 2.046 216 L HA -0.196 4.144 4.340 -0.001 0.000 0.208 216 L C 2.825 179.667 176.870 -0.047 0.000 1.077 216 L CA 1.790 56.594 54.840 -0.060 0.000 0.747 216 L CB -0.575 41.448 42.059 -0.060 0.000 0.896 216 L HN 0.486 nan 8.230 nan 0.000 0.432 217 R N 0.475 120.937 120.500 -0.063 0.000 2.080 217 R HA -0.210 4.130 4.340 -0.001 0.000 0.236 217 R C 1.802 178.070 176.300 -0.054 0.000 1.137 217 R CA 2.220 58.291 56.100 -0.048 0.000 0.943 217 R CB -0.235 30.024 30.300 -0.069 0.000 0.846 217 R HN 0.316 nan 8.270 nan 0.000 0.431 218 D N -0.015 120.337 120.400 -0.080 0.000 2.263 218 D HA -0.102 4.538 4.640 -0.001 0.000 0.208 218 D C 0.820 177.083 176.300 -0.061 0.000 0.971 218 D CA 1.133 55.090 54.000 -0.072 0.000 0.867 218 D CB -0.257 40.489 40.800 -0.090 0.000 0.929 218 D HN 0.358 nan 8.370 nan 0.000 0.492 219 N N -0.067 118.597 118.700 -0.061 0.000 2.270 219 N HA 0.022 4.761 4.740 -0.001 0.000 0.198 219 N C -0.395 175.087 175.510 -0.047 0.000 1.117 219 N CA -0.020 52.993 53.050 -0.061 0.000 0.845 219 N CB 0.410 38.857 38.487 -0.066 0.000 0.980 219 N HN -0.160 nan 8.380 nan 0.000 0.486 220 Q N -1.200 118.582 119.800 -0.030 0.000 2.494 220 Q HA -0.131 4.209 4.340 -0.001 0.000 0.272 220 Q C -1.089 174.915 176.000 0.007 0.000 1.145 220 Q CA 0.438 56.236 55.803 -0.009 0.000 0.943 220 Q CB -2.109 26.623 28.738 -0.010 0.000 1.338 220 Q HN 0.113 nan 8.270 nan 0.000 0.492 221 V N 0.500 120.416 119.914 0.002 0.000 2.465 221 V HA 0.294 4.414 4.120 -0.001 0.000 0.279 221 V C 0.891 177.012 176.094 0.045 0.000 1.045 221 V CA -0.233 62.075 62.300 0.014 0.000 0.938 221 V CB 1.863 33.684 31.823 -0.004 0.000 0.986 221 V HN 0.218 nan 8.190 nan 0.000 0.467 222 T N 5.550 120.134 114.554 0.049 0.000 2.752 222 T HA 0.203 4.553 4.350 -0.001 0.000 0.295 222 T C -0.563 174.173 174.700 0.060 0.000 0.923 222 T CA 0.300 62.435 62.100 0.058 0.000 1.112 222 T CB -0.330 68.587 68.868 0.081 0.000 0.884 222 T HN 0.528 nan 8.240 nan 0.000 0.525 223 Y N 5.199 125.478 120.300 -0.035 0.000 2.335 223 Y HA 0.554 5.105 4.550 0.001 0.000 0.339 223 Y C -1.150 174.736 175.900 -0.024 0.000 0.987 223 Y CA -1.771 56.307 58.100 -0.036 0.000 1.140 223 Y CB 0.450 38.897 38.460 -0.023 0.000 1.173 223 Y HN 0.496 nan 8.280 nan 0.000 0.486 224 L N 6.501 127.435 121.223 -0.482 0.000 2.319 224 L HA 0.315 4.654 4.340 -0.001 0.000 0.281 224 L C -0.248 176.231 176.870 -0.652 0.000 1.005 224 L CA -0.889 53.640 54.840 -0.518 0.000 0.828 224 L CB 1.313 43.238 42.059 -0.223 0.000 1.227 224 L HN 0.601 nan 8.230 nan 0.000 0.415 225 N N 3.509 121.777 118.700 -0.720 0.000 2.671 225 N HA 0.429 5.168 4.740 -0.001 0.000 0.274 225 N C -0.854 174.580 175.510 -0.127 0.000 1.188 225 N CA 0.079 52.932 53.050 -0.328 0.000 1.065 225 N CB 0.325 38.699 38.487 -0.188 0.000 1.415 225 N HN 0.723 nan 8.380 nan 0.000 0.511 226 A N 2.201 124.975 122.820 -0.077 0.000 2.549 226 A HA 0.388 4.708 4.320 -0.001 0.000 0.297 226 A C -0.685 176.861 177.584 -0.064 0.000 1.061 226 A CA -0.966 51.016 52.037 -0.092 0.000 0.690 226 A CB 1.048 19.982 19.000 -0.110 0.000 1.287 226 A HN 0.465 nan 8.150 nan 0.000 0.402 227 K N 1.464 121.734 120.400 -0.218 0.000 2.349 227 K HA 0.450 4.769 4.320 -0.001 0.000 0.288 227 K C 0.338 176.882 176.600 -0.093 0.000 1.058 227 K CA 0.273 56.442 56.287 -0.197 0.000 0.953 227 K CB 0.573 32.775 32.500 -0.496 0.000 0.997 227 K HN 0.871 nan 8.250 nan 0.000 0.477 228 G N 3.574 112.363 108.800 -0.019 0.000 2.371 228 G HA2 0.394 4.354 3.960 -0.001 0.000 0.326 228 G HA3 0.394 4.354 3.960 -0.001 0.000 0.326 228 G C -1.226 173.673 174.900 -0.003 0.000 1.127 228 G CA -0.684 44.410 45.100 -0.011 0.000 0.885 228 G HN 0.665 nan 8.290 nan 0.000 0.477 229 R N 2.066 122.562 120.500 -0.005 0.000 2.514 229 R HA 0.358 4.698 4.340 -0.001 0.000 0.296 229 R C -1.425 174.877 176.300 0.004 0.000 1.012 229 R CA -0.861 55.239 56.100 -0.000 0.000 0.897 229 R CB 1.538 31.833 30.300 -0.008 0.000 1.184 229 R HN 0.422 nan 8.270 nan 0.000 0.440 230 L N 7.207 128.433 121.223 0.005 0.000 2.315 230 L HA 0.248 4.588 4.340 -0.001 0.000 0.283 230 L C 0.654 177.525 176.870 0.001 0.000 1.089 230 L CA 0.415 55.256 54.840 0.002 0.000 0.833 230 L CB 0.893 42.948 42.059 -0.006 0.000 1.170 230 L HN 0.817 nan 8.230 nan 0.000 0.442 231 I N 0.994 121.568 120.570 0.008 0.000 4.035 231 I HA 0.362 4.531 4.170 -0.001 0.000 0.321 231 I C 0.496 176.619 176.117 0.011 0.000 1.289 231 I CA 0.264 61.570 61.300 0.009 0.000 1.236 231 I CB 0.143 38.152 38.000 0.014 0.000 1.076 231 I HN 0.588 nan 8.210 nan 0.000 0.418 232 S N -0.644 115.063 115.700 0.012 0.000 2.656 232 S HA 0.548 5.017 4.470 -0.001 0.000 0.273 232 S C -2.459 172.123 174.600 -0.029 0.000 1.168 232 S CA -0.928 57.276 58.200 0.008 0.000 0.817 232 S CB 1.260 64.485 63.200 0.042 0.000 1.146 232 S HN -0.237 nan 8.310 nan 0.000 0.475 233 P HA -0.041 nan 4.420 nan 0.000 0.217 233 P C 0.375 177.440 177.300 -0.391 0.000 1.148 233 P CA 1.663 64.613 63.100 -0.249 0.000 0.828 233 P CB -0.151 31.360 31.700 -0.314 0.000 0.783 234 H N -3.105 115.964 119.070 -0.001 0.000 2.893 234 H HA 0.267 4.822 4.556 -0.002 0.000 0.270 234 H C 0.072 175.418 175.328 0.029 0.000 1.095 234 H CA -0.225 55.801 56.048 -0.037 0.000 1.186 234 H CB 0.453 30.195 29.762 -0.033 0.000 1.562 234 H HN 0.122 nan 8.280 nan 0.000 0.536 235 E N 1.419 121.692 120.200 0.122 0.000 2.145 235 E HA 0.389 4.739 4.350 -0.001 0.000 0.270 235 E C -1.019 175.620 176.600 0.065 0.000 0.906 235 E CA -0.675 55.789 56.400 0.108 0.000 0.761 235 E CB 2.844 32.602 29.700 0.097 0.000 1.116 235 E HN -0.049 nan 8.360 nan 0.000 0.408 236 V N 3.658 123.614 119.914 0.069 0.000 2.409 236 V HA 0.164 4.284 4.120 -0.001 0.000 0.291 236 V C -0.085 176.031 176.094 0.036 0.000 1.020 236 V CA -0.781 61.544 62.300 0.042 0.000 0.848 236 V CB 1.458 33.303 31.823 0.036 0.000 0.990 236 V HN 0.657 nan 8.190 nan 0.000 0.430 237 Q N 5.269 125.080 119.800 0.018 0.000 2.288 237 Q HA 0.563 4.902 4.340 -0.001 0.000 0.258 237 Q C -0.762 175.231 176.000 -0.012 0.000 0.957 237 Q CA -0.375 55.431 55.803 0.006 0.000 0.919 237 Q CB 1.163 29.900 28.738 -0.001 0.000 1.185 237 Q HN 0.863 nan 8.270 nan 0.000 0.408 238 I N 0.612 121.171 120.570 -0.019 0.000 2.530 238 I HA 0.557 4.727 4.170 -0.001 0.000 0.297 238 I C -0.907 175.172 176.117 -0.064 0.000 1.011 238 I CA -0.797 60.477 61.300 -0.043 0.000 1.107 238 I CB 2.369 40.347 38.000 -0.037 0.000 1.285 238 I HN 0.308 nan 8.210 nan 0.000 0.436 239 T N 3.978 118.470 114.554 -0.105 0.000 2.815 239 T HA 0.348 4.697 4.350 -0.001 0.000 0.289 239 T C -0.492 174.119 174.700 -0.149 0.000 1.000 239 T CA -0.541 61.484 62.100 -0.125 0.000 0.958 239 T CB 1.106 69.878 68.868 -0.159 0.000 0.944 239 T HN 0.818 nan 8.240 nan 0.000 0.442 240 D N 1.743 122.078 120.400 -0.107 0.000 2.478 240 D HA 0.193 4.833 4.640 -0.001 0.000 0.269 240 D C 1.405 177.651 176.300 -0.090 0.000 1.232 240 D CA -0.901 53.041 54.000 -0.097 0.000 1.059 240 D CB 0.741 41.500 40.800 -0.069 0.000 1.104 240 D HN 0.468 nan 8.370 nan 0.000 0.566 241 K N -0.317 120.048 120.400 -0.058 0.000 2.147 241 K HA -0.171 4.149 4.320 -0.001 0.000 0.205 241 K C 0.904 177.487 176.600 -0.028 0.000 1.049 241 K CA 1.433 57.702 56.287 -0.031 0.000 0.936 241 K CB -0.669 31.827 32.500 -0.006 0.000 0.722 241 K HN 0.366 nan 8.250 nan 0.000 0.446 242 N N 0.585 119.266 118.700 -0.031 0.000 2.461 242 N HA -0.018 4.722 4.740 -0.001 0.000 0.188 242 N C -0.400 175.091 175.510 -0.031 0.000 1.134 242 N CA 0.036 53.072 53.050 -0.024 0.000 0.878 242 N CB 0.350 38.826 38.487 -0.019 0.000 0.972 242 N HN 0.132 nan 8.380 nan 0.000 0.456 243 Q N -0.698 119.073 119.800 -0.048 0.000 2.465 243 Q HA -0.154 4.186 4.340 -0.001 0.000 0.248 243 Q C -0.813 175.159 176.000 -0.047 0.000 0.819 243 Q CA 0.894 56.664 55.803 -0.055 0.000 1.219 243 Q CB -1.322 27.390 28.738 -0.043 0.000 1.472 243 Q HN 0.362 nan 8.270 nan 0.000 0.630 244 K N 0.855 121.229 120.400 -0.043 0.000 2.322 244 K HA 0.413 4.732 4.320 -0.001 0.000 0.283 244 K C 0.280 176.857 176.600 -0.039 0.000 1.042 244 K CA -0.214 56.053 56.287 -0.034 0.000 0.958 244 K CB 1.149 33.633 32.500 -0.026 0.000 0.984 244 K HN -0.062 nan 8.250 nan 0.000 0.473 245 V N 1.716 121.611 119.914 -0.031 0.000 2.435 245 V HA 0.396 4.516 4.120 -0.001 0.000 0.290 245 V C 0.337 176.421 176.094 -0.017 0.000 1.030 245 V CA -0.503 61.779 62.300 -0.030 0.000 0.881 245 V CB 1.634 33.440 31.823 -0.028 0.000 0.983 245 V HN 0.812 nan 8.190 nan 0.000 0.445 246 S N 2.670 118.362 115.700 -0.013 0.000 2.651 246 S HA 0.739 5.209 4.470 -0.001 0.000 0.279 246 S C -0.746 173.862 174.600 0.013 0.000 1.148 246 S CA -0.414 57.787 58.200 0.002 0.000 0.837 246 S CB 2.408 65.611 63.200 0.005 0.000 1.138 246 S HN 0.737 nan 8.310 nan 0.000 0.478 247 T N 2.644 117.216 114.554 0.029 0.000 2.824 247 T HA 0.630 4.979 4.350 -0.001 0.000 0.282 247 T C -0.501 174.243 174.700 0.073 0.000 0.993 247 T CA -0.464 61.664 62.100 0.046 0.000 0.967 247 T CB 0.587 69.482 68.868 0.045 0.000 0.960 247 T HN 0.625 nan 8.240 nan 0.000 0.441 248 I N 0.345 120.976 120.570 0.101 0.000 2.740 248 I HA 0.854 5.024 4.170 -0.001 0.000 0.303 248 I C -0.003 176.224 176.117 0.183 0.000 1.044 248 I CA -1.003 60.396 61.300 0.165 0.000 1.064 248 I CB 2.368 40.518 38.000 0.249 0.000 1.249 248 I HN 0.590 nan 8.210 nan 0.000 0.433 249 T N 0.833 115.523 114.554 0.226 0.000 2.888 249 T HA 0.855 5.205 4.350 -0.001 0.000 0.284 249 T C -0.154 174.721 174.700 0.292 0.000 1.017 249 T CA -0.708 61.546 62.100 0.258 0.000 1.022 249 T CB 1.640 70.699 68.868 0.318 0.000 1.013 249 T HN 1.125 nan 8.240 nan 0.000 0.465 250 G N 1.085 109.986 108.800 0.169 0.000 2.667 250 G HA2 0.421 4.381 3.960 -0.001 0.000 0.298 250 G HA3 0.421 4.381 3.960 -0.001 0.000 0.298 250 G C 0.239 174.976 174.900 -0.270 0.000 1.377 250 G CA -0.790 44.362 45.100 0.087 0.000 0.964 250 G HN 0.637 nan 8.290 nan 0.000 0.493 251 N N 0.289 118.807 118.700 -0.304 0.000 2.047 251 N HA -0.043 4.697 4.740 -0.001 0.000 0.193 251 N C 0.559 176.084 175.510 0.025 0.000 1.055 251 N CA 1.080 53.911 53.050 -0.365 0.000 0.847 251 N CB 0.007 38.506 38.487 0.021 0.000 1.038 251 N HN 0.304 nan 8.380 nan 0.000 0.427 252 K N 0.765 121.243 120.400 0.130 0.000 2.130 252 K HA 0.303 4.623 4.320 -0.001 0.000 0.268 252 K C -0.461 176.227 176.600 0.147 0.000 0.983 252 K CA -0.568 55.821 56.287 0.169 0.000 0.893 252 K CB 1.760 34.378 32.500 0.196 0.000 1.066 252 K HN 0.175 nan 8.250 nan 0.000 0.450 253 I N 3.902 124.556 120.570 0.140 0.000 2.465 253 I HA 0.410 4.580 4.170 -0.001 0.000 0.291 253 I C 0.068 176.280 176.117 0.158 0.000 1.014 253 I CA -0.794 60.569 61.300 0.105 0.000 1.093 253 I CB 1.254 39.274 38.000 0.033 0.000 1.267 253 I HN 0.433 nan 8.210 nan 0.000 0.431 254 I N 6.344 126.989 120.570 0.126 0.000 2.355 254 I HA 0.330 4.500 4.170 -0.001 0.000 0.288 254 I C -0.262 175.907 176.117 0.087 0.000 0.999 254 I CA -0.562 60.815 61.300 0.130 0.000 1.163 254 I CB 1.587 39.655 38.000 0.112 0.000 1.316 254 I HN 0.258 nan 8.210 nan 0.000 0.454 255 L N 6.693 127.967 121.223 0.083 0.000 2.281 255 L HA 0.537 4.877 4.340 -0.001 0.000 0.285 255 L C 0.549 177.456 176.870 0.061 0.000 1.074 255 L CA -0.122 54.753 54.840 0.059 0.000 0.817 255 L CB 1.015 43.100 42.059 0.043 0.000 1.168 255 L HN 0.748 nan 8.230 nan 0.000 0.434 256 A N 1.162 124.014 122.820 0.054 0.000 3.292 256 A HA 0.259 4.579 4.320 -0.001 0.000 0.231 256 A C 0.773 178.386 177.584 0.049 0.000 0.952 256 A CA -0.193 51.875 52.037 0.051 0.000 1.044 256 A CB -0.062 18.967 19.000 0.047 0.000 1.236 256 A HN 0.725 nan 8.150 nan 0.000 0.525 257 T N -3.115 111.470 114.554 0.051 0.000 3.081 257 T HA 0.447 4.797 4.350 -0.001 0.000 0.250 257 T C 1.366 176.103 174.700 0.061 0.000 1.100 257 T CA 1.038 63.172 62.100 0.057 0.000 1.038 257 T CB -0.145 68.757 68.868 0.057 0.000 0.962 257 T HN 2.044 nan 8.240 nan 0.000 0.516 258 G N 1.341 110.175 108.800 0.057 0.000 2.601 258 G HA2 -0.183 3.777 3.960 -0.001 0.000 0.261 258 G HA3 -0.183 3.777 3.960 -0.001 0.000 0.261 258 G C -0.683 174.257 174.900 0.065 0.000 1.289 258 G CA 0.001 45.139 45.100 0.063 0.000 0.920 258 G HN 0.657 nan 8.290 nan 0.000 0.571 259 E N -0.441 119.804 120.200 0.075 0.000 2.423 259 E HA 0.737 5.086 4.350 -0.001 0.000 0.269 259 E C -0.239 176.417 176.600 0.093 0.000 0.948 259 E CA -1.134 55.310 56.400 0.073 0.000 0.802 259 E CB 1.634 31.373 29.700 0.064 0.000 1.339 259 E HN 0.449 nan 8.360 nan 0.000 0.445 260 R N 0.467 121.021 120.500 0.090 0.000 2.837 260 R HA 0.486 4.826 4.340 -0.001 0.000 0.271 260 R C -2.688 173.667 176.300 0.092 0.000 0.993 260 R CA -2.514 53.654 56.100 0.113 0.000 0.931 260 R CB 0.804 31.179 30.300 0.126 0.000 1.206 260 R HN 0.311 nan 8.270 nan 0.000 0.474 261 P HA 0.080 nan 4.420 nan 0.000 0.269 261 P C -0.462 176.862 177.300 0.040 0.000 1.209 261 P CA 0.110 63.227 63.100 0.029 0.000 0.776 261 P CB 0.569 32.258 31.700 -0.018 0.000 0.876 262 K N 2.122 122.516 120.400 -0.010 0.000 2.118 262 K HA 0.334 4.654 4.320 -0.001 0.000 0.264 262 K C -0.527 176.016 176.600 -0.095 0.000 1.000 262 K CA -0.238 56.055 56.287 0.011 0.000 0.929 262 K CB 0.525 33.019 32.500 -0.010 0.000 1.021 262 K HN 0.428 nan 8.250 nan 0.000 0.463 263 Y N 1.610 121.831 120.300 -0.132 0.000 2.409 263 Y HA 0.257 4.807 4.550 -0.001 0.000 0.339 263 Y C -1.710 173.990 175.900 -0.333 0.000 1.033 263 Y CA -2.146 55.769 58.100 -0.309 0.000 1.094 263 Y CB 1.178 39.474 38.460 -0.275 0.000 1.210 263 Y HN 0.506 nan 8.280 nan 0.000 0.456 264 P HA 0.038 nan 4.420 nan 0.000 0.274 264 P C -0.852 176.346 177.300 -0.171 0.000 1.231 264 P CA -0.448 62.508 63.100 -0.241 0.000 0.790 264 P CB 1.045 32.575 31.700 -0.283 0.000 0.951 265 E N 2.135 122.279 120.200 -0.094 0.000 1.852 265 E HA 0.245 4.594 4.350 -0.001 0.000 0.276 265 E C -0.227 176.345 176.600 -0.046 0.000 1.163 265 E CA -0.212 56.150 56.400 -0.064 0.000 1.117 265 E CB -1.221 28.455 29.700 -0.040 0.000 1.124 265 E HN 0.352 nan 8.360 nan 0.000 0.458 266 I N -0.567 119.973 120.570 -0.050 0.000 2.769 266 I HA 0.636 4.805 4.170 -0.001 0.000 0.298 266 I C -2.523 173.606 176.117 0.019 0.000 1.128 266 I CA -3.270 58.030 61.300 -0.000 0.000 1.031 266 I CB 2.055 40.071 38.000 0.026 0.000 1.235 266 I HN 0.011 nan 8.210 nan 0.000 0.423 267 P HA 0.194 nan 4.420 nan 0.000 0.264 267 P C 0.835 178.195 177.300 0.100 0.000 1.193 267 P CA 0.994 64.124 63.100 0.051 0.000 0.763 267 P CB 0.729 32.468 31.700 0.066 0.000 0.810 268 G N 2.399 111.229 108.800 0.050 0.000 2.195 268 G HA2 -0.310 3.649 3.960 -0.001 0.000 0.246 268 G HA3 -0.310 3.649 3.960 -0.001 0.000 0.246 268 G C 1.157 176.120 174.900 0.105 0.000 0.984 268 G CA 0.471 45.616 45.100 0.074 0.000 0.633 268 G HN 0.669 nan 8.290 nan 0.000 0.525 269 A N 0.043 122.944 122.820 0.136 0.000 1.858 269 A HA 0.269 4.589 4.320 -0.001 0.000 0.216 269 A C 2.568 180.348 177.584 0.328 0.000 1.190 269 A CA 2.847 55.064 52.037 0.299 0.000 0.617 269 A CB -0.630 18.344 19.000 -0.045 0.000 0.827 269 A HN 1.087 nan 8.150 nan 0.000 0.443 270 V N -0.051 119.832 119.914 -0.051 0.000 2.548 270 V HA -0.189 3.930 4.120 -0.001 0.000 0.249 270 V C 2.408 178.408 176.094 -0.156 0.000 1.055 270 V CA 2.253 64.369 62.300 -0.307 0.000 1.065 270 V CB -0.827 30.720 31.823 -0.460 0.000 0.681 270 V HN 0.590 nan 8.190 nan 0.000 0.462 271 E N -0.702 119.339 120.200 -0.265 0.000 2.072 271 E HA -0.108 4.242 4.350 -0.001 0.000 0.190 271 E C 1.685 178.111 176.600 -0.290 0.000 0.982 271 E CA 1.427 57.553 56.400 -0.456 0.000 0.803 271 E CB -0.113 28.990 29.700 -0.995 0.000 0.755 271 E HN 0.776 nan 8.360 nan 0.000 0.453 272 Y N -1.232 119.158 120.300 0.149 0.000 2.430 272 Y HA 0.405 4.955 4.550 -0.000 0.000 0.254 272 Y C 1.193 177.175 175.900 0.136 0.000 1.088 272 Y CA -0.186 57.992 58.100 0.129 0.000 1.267 272 Y CB -0.092 38.431 38.460 0.105 0.000 1.204 272 Y HN -0.067 nan 8.280 nan 0.000 0.515 273 G N 1.342 110.350 108.800 0.347 0.000 2.562 273 G HA2 0.552 4.512 3.960 -0.001 0.000 0.275 273 G HA3 0.552 4.512 3.960 -0.001 0.000 0.275 273 G C -0.321 174.703 174.900 0.208 0.000 1.196 273 G CA -0.400 44.809 45.100 0.181 0.000 0.908 273 G HN 0.211 nan 8.290 nan 0.000 0.524 274 I N -2.216 118.354 120.570 0.001 0.000 3.108 274 I HA 0.895 5.064 4.170 -0.001 0.000 0.312 274 I C 0.134 176.212 176.117 -0.065 0.000 1.095 274 I CA -1.000 60.324 61.300 0.040 0.000 1.000 274 I CB 2.472 40.463 38.000 -0.015 0.000 1.229 274 I HN 0.666 nan 8.210 nan 0.000 0.454 275 T N -1.607 112.921 114.554 -0.044 0.000 2.773 275 T HA 0.328 4.678 4.350 -0.001 0.000 0.278 275 T C 1.009 175.638 174.700 -0.119 0.000 1.011 275 T CA 0.018 62.054 62.100 -0.107 0.000 1.014 275 T CB 1.101 69.905 68.868 -0.107 0.000 1.293 275 T HN 0.861 nan 8.240 nan 0.000 0.554 276 S N 0.074 115.702 115.700 -0.120 0.000 2.402 276 S HA -0.181 4.288 4.470 -0.001 0.000 0.233 276 S C 1.297 175.857 174.600 -0.066 0.000 1.030 276 S CA 1.602 59.709 58.200 -0.155 0.000 1.003 276 S CB -1.016 62.203 63.200 0.030 0.000 0.813 276 S HN 0.713 nan 8.310 nan 0.000 0.477 277 D N 2.056 122.474 120.400 0.030 0.000 2.149 277 D HA -0.075 4.565 4.640 -0.001 0.000 0.198 277 D C 1.528 177.894 176.300 0.110 0.000 0.990 277 D CA 1.402 55.452 54.000 0.085 0.000 0.839 277 D CB -0.338 40.642 40.800 0.300 0.000 0.948 277 D HN 0.545 nan 8.370 nan 0.000 0.460 278 D N -0.450 119.994 120.400 0.072 0.000 2.277 278 D HA -0.037 4.602 4.640 -0.001 0.000 0.209 278 D C 2.167 178.456 176.300 -0.019 0.000 0.970 278 D CA -0.054 53.992 54.000 0.076 0.000 0.874 278 D CB -0.000 40.844 40.800 0.074 0.000 0.982 278 D HN 0.118 nan 8.370 nan 0.000 0.504 279 L N 0.532 121.652 121.223 -0.172 0.000 2.042 279 L HA -0.136 4.203 4.340 -0.001 0.000 0.210 279 L C 1.727 178.519 176.870 -0.131 0.000 1.076 279 L CA 1.579 56.265 54.840 -0.257 0.000 0.749 279 L CB -0.651 41.099 42.059 -0.515 0.000 0.893 279 L HN -0.155 nan 8.230 nan 0.000 0.432 280 F N -0.810 119.188 119.950 0.079 0.000 2.661 280 F HA 0.021 4.548 4.527 -0.001 0.000 0.298 280 F C 2.246 178.034 175.800 -0.020 0.000 1.137 280 F CA 0.785 58.791 58.000 0.010 0.000 1.454 280 F CB -0.787 38.167 39.000 -0.077 0.000 1.103 280 F HN 0.338 nan 8.300 nan 0.000 0.577 281 S N -1.040 114.755 115.700 0.158 0.000 2.663 281 S HA 0.255 4.724 4.470 -0.001 0.000 0.243 281 S C 0.124 174.804 174.600 0.135 0.000 1.009 281 S CA -0.425 57.849 58.200 0.123 0.000 0.988 281 S CB -0.549 62.735 63.200 0.141 0.000 0.896 281 S HN 0.042 nan 8.310 nan 0.000 0.502 282 L N 4.090 125.413 121.223 0.167 0.000 2.584 282 L HA 0.279 4.619 4.340 -0.001 0.000 0.272 282 L C -1.409 175.573 176.870 0.187 0.000 1.195 282 L CA -1.143 53.746 54.840 0.082 0.000 0.920 282 L CB 0.511 42.531 42.059 -0.065 0.000 1.173 282 L HN 0.046 nan 8.230 nan 0.000 0.489 283 P HA -0.067 nan 4.420 nan 0.000 0.231 283 P C -0.902 176.591 177.300 0.321 0.000 1.168 283 P CA 0.867 64.104 63.100 0.229 0.000 0.779 283 P CB -0.072 31.766 31.700 0.230 0.000 0.844 284 Y N -2.703 117.733 120.300 0.226 0.000 2.562 284 Y HA 0.633 5.182 4.550 -0.001 0.000 0.343 284 Y C -0.437 175.441 175.900 -0.036 0.000 1.025 284 Y CA -2.559 55.634 58.100 0.156 0.000 1.082 284 Y CB 0.222 38.733 38.460 0.084 0.000 1.264 284 Y HN -0.307 nan 8.280 nan 0.000 0.478 285 F N 4.655 124.573 119.950 -0.053 0.000 2.506 285 F HA 0.355 4.882 4.527 -0.001 0.000 0.371 285 F C -1.757 173.855 175.800 -0.312 0.000 1.078 285 F CA -2.212 55.514 58.000 -0.457 0.000 1.195 285 F CB 1.108 40.032 39.000 -0.128 0.000 1.099 285 F HN 0.394 nan 8.300 nan 0.000 0.548 286 P HA -0.055 nan 4.420 nan 0.000 0.216 286 P C 0.877 177.961 177.300 -0.361 0.000 1.150 286 P CA 2.063 64.734 63.100 -0.714 0.000 0.843 286 P CB -0.207 30.931 31.700 -0.937 0.000 0.787 287 G N -0.823 107.685 108.800 -0.487 0.000 2.528 287 G HA2 -0.327 3.633 3.960 -0.001 0.000 0.262 287 G HA3 -0.327 3.633 3.960 -0.001 0.000 0.262 287 G C -0.252 174.723 174.900 0.125 0.000 1.200 287 G CA -0.079 45.227 45.100 0.343 0.000 0.951 287 G HN 0.471 nan 8.290 nan 0.000 0.566 288 K N 1.396 121.882 120.400 0.143 0.000 2.395 288 K HA 0.410 4.729 4.320 -0.001 0.000 0.283 288 K C -0.467 176.234 176.600 0.167 0.000 1.068 288 K CA 0.865 57.231 56.287 0.133 0.000 1.039 288 K CB -0.331 32.225 32.500 0.094 0.000 0.924 288 K HN 0.504 nan 8.250 nan 0.000 0.468 289 T N 4.920 119.541 114.554 0.112 0.000 2.841 289 T HA 0.301 4.651 4.350 -0.001 0.000 0.283 289 T C -1.126 173.480 174.700 -0.158 0.000 1.000 289 T CA -0.733 61.341 62.100 -0.042 0.000 0.977 289 T CB 1.167 69.916 68.868 -0.199 0.000 0.979 289 T HN 0.453 nan 8.240 nan 0.000 0.446 290 L N 4.469 125.390 121.223 -0.504 0.000 2.287 290 L HA 0.667 5.007 4.340 -0.001 0.000 0.287 290 L C -0.941 175.621 176.870 -0.512 0.000 1.022 290 L CA -0.457 53.915 54.840 -0.780 0.000 0.814 290 L CB 1.065 42.233 42.059 -1.484 0.000 1.217 290 L HN 0.436 nan 8.230 nan 0.000 0.420 291 V N 7.038 126.711 119.914 -0.401 0.000 2.350 291 V HA 0.387 4.506 4.120 -0.001 0.000 0.276 291 V C 0.285 176.216 176.094 -0.272 0.000 1.028 291 V CA -0.377 61.727 62.300 -0.326 0.000 0.860 291 V CB 1.198 32.858 31.823 -0.272 0.000 0.990 291 V HN 0.594 nan 8.190 nan 0.000 0.453 292 I N 5.137 125.567 120.570 -0.233 0.000 2.297 292 I HA 0.733 4.903 4.170 -0.001 0.000 0.291 292 I C 0.765 176.856 176.117 -0.045 0.000 1.033 292 I CA 0.333 61.565 61.300 -0.114 0.000 1.253 292 I CB 1.027 39.039 38.000 0.020 0.000 1.396 292 I HN 0.875 nan 8.210 nan 0.000 0.476 293 G N 4.370 113.140 108.800 -0.049 0.000 2.340 293 G HA2 0.300 4.259 3.960 -0.001 0.000 0.527 293 G HA3 0.300 4.259 3.960 -0.001 0.000 0.527 293 G C -0.759 174.138 174.900 -0.005 0.000 1.381 293 G CA -0.172 44.914 45.100 -0.023 0.000 1.001 293 G HN 0.742 nan 8.290 nan 0.000 0.626 294 A N -0.302 122.532 122.820 0.022 0.000 2.592 294 A HA 0.736 5.056 4.320 -0.001 0.000 0.290 294 A C 1.036 178.664 177.584 0.073 0.000 0.998 294 A CA 1.233 53.307 52.037 0.061 0.000 0.983 294 A CB -0.427 18.618 19.000 0.075 0.000 1.240 294 A HN 2.318 nan 8.150 nan 0.000 0.535 295 S N -0.654 115.073 115.700 0.044 0.000 2.608 295 S HA 0.291 4.760 4.470 -0.001 0.000 0.261 295 S C 1.124 175.758 174.600 0.058 0.000 1.314 295 S CA 0.259 58.494 58.200 0.059 0.000 0.992 295 S CB -0.042 63.138 63.200 -0.035 0.000 0.935 295 S HN 1.000 nan 8.310 nan 0.000 0.564 296 Y N -0.154 120.196 120.300 0.083 0.000 2.274 296 Y HA -0.027 4.522 4.550 -0.001 0.000 0.290 296 Y C 1.734 177.673 175.900 0.064 0.000 1.145 296 Y CA 1.161 59.275 58.100 0.022 0.000 1.203 296 Y CB -1.058 37.399 38.460 -0.006 0.000 0.984 296 Y HN 0.292 nan 8.280 nan 0.000 0.533 297 V N 1.531 121.182 119.914 -0.439 0.000 2.295 297 V HA -0.310 3.810 4.120 -0.001 0.000 0.246 297 V C 2.950 178.993 176.094 -0.084 0.000 1.049 297 V CA 1.865 64.019 62.300 -0.243 0.000 1.024 297 V CB -1.510 30.127 31.823 -0.310 0.000 0.648 297 V HN 0.656 nan 8.190 nan 0.000 0.447 298 A N -0.031 122.734 122.820 -0.093 0.000 1.873 298 A HA -0.219 4.100 4.320 -0.001 0.000 0.218 298 A C 2.216 179.763 177.584 -0.063 0.000 1.193 298 A CA 2.205 54.193 52.037 -0.082 0.000 0.629 298 A CB -0.657 18.310 19.000 -0.054 0.000 0.826 298 A HN 0.508 nan 8.150 nan 0.000 0.447 299 L N -1.163 120.066 121.223 0.010 0.000 2.093 299 L HA -0.166 4.174 4.340 -0.001 0.000 0.208 299 L C 2.610 179.507 176.870 0.044 0.000 1.085 299 L CA 1.462 56.334 54.840 0.052 0.000 0.755 299 L CB -0.666 41.462 42.059 0.114 0.000 0.904 299 L HN 0.491 nan 8.230 nan 0.000 0.435 300 E N -0.410 119.839 120.200 0.081 0.000 2.051 300 E HA -0.217 4.132 4.350 -0.001 0.000 0.192 300 E C 2.345 178.927 176.600 -0.029 0.000 0.991 300 E CA 1.663 58.148 56.400 0.142 0.000 0.799 300 E CB -0.131 29.734 29.700 0.275 0.000 0.748 300 E HN 0.527 nan 8.360 nan 0.000 0.449 301 C N 0.614 119.792 119.300 -0.204 0.000 2.453 301 C HA -0.055 4.404 4.460 -0.001 0.000 0.277 301 C C 2.912 177.452 174.990 -0.750 0.000 1.262 301 C CA 0.708 59.289 59.018 -0.729 0.000 1.718 301 C CB -0.966 26.527 27.740 -0.411 0.000 2.031 301 C HN 0.522 nan 8.230 nan 0.000 0.480 302 A N 1.014 123.608 122.820 -0.376 0.000 1.917 302 A HA -0.020 4.299 4.320 -0.001 0.000 0.219 302 A C 2.364 179.828 177.584 -0.200 0.000 1.182 302 A CA 2.310 54.176 52.037 -0.284 0.000 0.633 302 A CB -1.323 17.544 19.000 -0.222 0.000 0.819 302 A HN 0.569 nan 8.150 nan 0.000 0.448 303 G N -0.051 108.687 108.800 -0.103 0.000 2.480 303 G HA2 -0.226 3.733 3.960 -0.001 0.000 0.216 303 G HA3 -0.226 3.733 3.960 -0.001 0.000 0.216 303 G C 1.483 176.472 174.900 0.148 0.000 1.200 303 G CA 1.307 46.452 45.100 0.075 0.000 0.782 303 G HN 0.849 nan 8.290 nan 0.000 0.554 304 F N 0.393 120.460 119.950 0.194 0.000 2.234 304 F HA 0.197 4.724 4.527 -0.001 0.000 0.299 304 F C 2.271 178.153 175.800 0.136 0.000 1.087 304 F CA 0.474 58.587 58.000 0.189 0.000 1.340 304 F CB -0.424 38.709 39.000 0.222 0.000 1.031 304 F HN 0.036 nan 8.300 nan 0.000 0.500 305 L N 1.025 122.229 121.223 -0.032 0.000 2.046 305 L HA -0.161 4.179 4.340 -0.001 0.000 0.208 305 L C 3.044 179.963 176.870 0.082 0.000 1.077 305 L CA 1.168 56.023 54.840 0.024 0.000 0.747 305 L CB -1.019 40.903 42.059 -0.229 0.000 0.896 305 L HN 0.388 nan 8.230 nan 0.000 0.432 306 A N -0.835 122.019 122.820 0.056 0.000 1.898 306 A HA -0.170 4.150 4.320 -0.001 0.000 0.216 306 A C 2.471 180.147 177.584 0.153 0.000 1.181 306 A CA 1.928 54.022 52.037 0.095 0.000 0.620 306 A CB -0.552 18.493 19.000 0.075 0.000 0.819 306 A HN 0.356 nan 8.150 nan 0.000 0.442 307 S N -0.215 115.602 115.700 0.194 0.000 2.423 307 S HA 0.005 4.474 4.470 -0.001 0.000 0.231 307 S C 1.277 175.907 174.600 0.050 0.000 1.014 307 S CA 0.894 59.197 58.200 0.173 0.000 0.965 307 S CB -0.326 63.025 63.200 0.251 0.000 0.785 307 S HN 0.496 nan 8.310 nan 0.000 0.495 308 L N 1.005 122.290 121.223 0.104 0.000 2.645 308 L HA 0.241 4.581 4.340 -0.001 0.000 0.234 308 L C 1.486 178.473 176.870 0.194 0.000 1.165 308 L CA 0.164 55.043 54.840 0.065 0.000 0.944 308 L CB -0.657 41.475 42.059 0.122 0.000 1.149 308 L HN 0.447 nan 8.230 nan 0.000 0.446 309 G N -0.150 108.745 108.800 0.158 0.000 2.143 309 G HA2 -0.224 3.736 3.960 -0.001 0.000 0.249 309 G HA3 -0.224 3.736 3.960 -0.001 0.000 0.249 309 G C 0.533 175.555 174.900 0.204 0.000 0.981 309 G CA -0.144 45.047 45.100 0.151 0.000 0.665 309 G HN 0.540 nan 8.290 nan 0.000 0.528 310 G N -0.433 108.518 108.800 0.250 0.000 2.467 310 G HA2 0.445 4.405 3.960 -0.001 0.000 0.257 310 G HA3 0.445 4.405 3.960 -0.001 0.000 0.257 310 G C -0.325 174.652 174.900 0.127 0.000 1.227 310 G CA 0.316 45.560 45.100 0.240 0.000 0.835 310 G HN 0.257 nan 8.290 nan 0.000 0.556 311 D N 1.122 121.593 120.400 0.118 0.000 2.365 311 D HA 0.271 4.911 4.640 -0.001 0.000 0.237 311 D C -0.326 176.014 176.300 0.066 0.000 1.190 311 D CA -0.077 53.971 54.000 0.081 0.000 0.867 311 D CB 0.979 41.827 40.800 0.080 0.000 1.050 311 D HN -0.014 nan 8.370 nan 0.000 0.491 312 V N 3.735 123.664 119.914 0.024 0.000 2.487 312 V HA 0.436 4.556 4.120 -0.001 0.000 0.298 312 V C 0.325 176.376 176.094 -0.071 0.000 1.028 312 V CA -0.673 61.602 62.300 -0.042 0.000 0.860 312 V CB 2.065 33.826 31.823 -0.103 0.000 0.991 312 V HN 0.498 nan 8.190 nan 0.000 0.427 313 T N 3.893 118.400 114.554 -0.080 0.000 2.841 313 T HA 0.623 4.972 4.350 -0.001 0.000 0.283 313 T C -0.561 173.978 174.700 -0.267 0.000 1.000 313 T CA -0.459 61.571 62.100 -0.116 0.000 0.977 313 T CB 1.886 70.822 68.868 0.113 0.000 0.979 313 T HN 0.338 nan 8.240 nan 0.000 0.446 314 V N 4.053 123.752 119.914 -0.358 0.000 2.384 314 V HA 0.438 4.558 4.120 -0.001 0.000 0.287 314 V C -0.097 175.906 176.094 -0.151 0.000 1.020 314 V CA -0.763 61.349 62.300 -0.314 0.000 0.850 314 V CB 1.585 33.138 31.823 -0.451 0.000 0.987 314 V HN 0.861 nan 8.190 nan 0.000 0.436 315 M N 5.690 125.192 119.600 -0.163 0.000 2.084 315 M HA 0.502 4.982 4.480 -0.001 0.000 0.351 315 M C -1.294 174.961 176.300 -0.075 0.000 1.240 315 M CA -0.337 54.865 55.300 -0.163 0.000 1.083 315 M CB 1.127 33.547 32.600 -0.300 0.000 1.593 315 M HN 0.466 nan 8.290 nan 0.000 0.463 316 V N 6.357 126.264 119.914 -0.013 0.000 2.350 316 V HA 0.307 4.426 4.120 -0.001 0.000 0.285 316 V C 0.847 176.931 176.094 -0.015 0.000 1.014 316 V CA -0.556 61.760 62.300 0.026 0.000 0.831 316 V CB 1.276 33.163 31.823 0.106 0.000 1.000 316 V HN 0.951 nan 8.190 nan 0.000 0.433 317 R N 3.091 123.572 120.500 -0.032 0.000 2.070 317 R HA -0.115 4.225 4.340 -0.001 0.000 0.233 317 R C 1.740 178.031 176.300 -0.015 0.000 1.137 317 R CA 2.324 58.399 56.100 -0.042 0.000 0.945 317 R CB 0.223 30.499 30.300 -0.040 0.000 0.845 317 R HN 0.842 nan 8.270 nan 0.000 0.430 318 S N -0.553 115.147 115.700 0.000 0.000 3.884 318 S HA 0.244 4.713 4.470 -0.001 0.000 0.174 318 S C 0.813 175.418 174.600 0.008 0.000 0.872 318 S CA -0.258 57.946 58.200 0.007 0.000 1.015 318 S CB -0.220 62.985 63.200 0.009 0.000 1.395 318 S HN 0.364 nan 8.310 nan 0.000 0.737 319 I N -0.171 120.408 120.570 0.015 0.000 3.067 319 I HA 0.649 4.819 4.170 -0.001 0.000 0.312 319 I C -1.222 174.913 176.117 0.029 0.000 1.073 319 I CA -1.591 59.717 61.300 0.012 0.000 1.016 319 I CB 1.645 39.656 38.000 0.017 0.000 1.227 319 I HN 0.285 nan 8.210 nan 0.000 0.456 320 L N 3.403 124.636 121.223 0.018 0.000 2.350 320 L HA 0.394 4.734 4.340 -0.001 0.000 0.275 320 L C 0.121 177.044 176.870 0.088 0.000 1.099 320 L CA -0.952 53.913 54.840 0.042 0.000 0.808 320 L CB 1.024 43.079 42.059 -0.005 0.000 1.149 320 L HN 0.662 nan 8.230 nan 0.000 0.442 321 L N 1.629 122.932 121.223 0.134 0.000 3.762 321 L HA -0.229 4.111 4.340 -0.001 0.000 0.460 321 L C 0.795 177.890 176.870 0.374 0.000 1.255 321 L CA 0.180 55.178 54.840 0.265 0.000 0.783 321 L CB -1.357 40.769 42.059 0.112 0.000 1.600 321 L HN 0.723 nan 8.230 nan 0.000 0.862 322 R N 0.943 121.587 120.500 0.241 0.000 2.537 322 R HA 0.218 4.557 4.340 -0.001 0.000 0.281 322 R C 1.472 177.880 176.300 0.180 0.000 0.988 322 R CA 1.406 57.609 56.100 0.172 0.000 1.077 322 R CB 0.266 30.630 30.300 0.106 0.000 0.932 322 R HN 0.522 nan 8.270 nan 0.000 0.409 323 G N 3.311 112.175 108.800 0.107 0.000 2.258 323 G HA2 -0.288 3.672 3.960 -0.001 0.000 0.233 323 G HA3 -0.288 3.672 3.960 -0.001 0.000 0.233 323 G C -0.084 174.776 174.900 -0.067 0.000 1.006 323 G CA -0.064 45.029 45.100 -0.011 0.000 0.620 323 G HN 0.518 nan 8.290 nan 0.000 0.511 324 F N 1.986 122.008 119.950 0.121 0.000 2.370 324 F HA 0.466 4.992 4.527 -0.001 0.000 0.324 324 F C 0.914 176.794 175.800 0.133 0.000 1.116 324 F CA -0.472 57.634 58.000 0.177 0.000 1.123 324 F CB 0.659 39.814 39.000 0.259 0.000 1.238 324 F HN 0.013 nan 8.300 nan 0.000 0.536 325 D N 2.221 122.840 120.400 0.365 0.000 2.570 325 D HA -0.113 4.526 4.640 -0.001 0.000 0.243 325 D C 0.699 177.035 176.300 0.060 0.000 1.171 325 D CA 0.246 54.328 54.000 0.137 0.000 0.879 325 D CB 0.901 41.695 40.800 -0.009 0.000 1.143 325 D HN 0.499 nan 8.370 nan 0.000 0.511 326 Q N 2.978 122.790 119.800 0.019 0.000 2.245 326 Q HA -0.155 4.185 4.340 -0.001 0.000 0.201 326 Q C 1.714 177.672 176.000 -0.069 0.000 0.955 326 Q CA 0.728 56.526 55.803 -0.008 0.000 0.870 326 Q CB -0.101 28.637 28.738 -0.000 0.000 0.945 326 Q HN 0.714 nan 8.270 nan 0.000 0.461 327 Q N -0.222 119.525 119.800 -0.089 0.000 2.050 327 Q HA -0.149 4.191 4.340 -0.001 0.000 0.202 327 Q C 1.790 177.680 176.000 -0.184 0.000 0.980 327 Q CA 1.140 56.867 55.803 -0.128 0.000 0.840 327 Q CB 0.151 28.823 28.738 -0.110 0.000 0.898 327 Q HN 0.220 nan 8.270 nan 0.000 0.424 328 M N 0.016 119.482 119.600 -0.224 0.000 2.132 328 M HA -0.077 4.402 4.480 -0.001 0.000 0.263 328 M C 2.330 178.384 176.300 -0.410 0.000 1.065 328 M CA 1.475 56.528 55.300 -0.412 0.000 1.122 328 M CB -1.474 30.662 32.600 -0.774 0.000 1.365 328 M HN 0.335 nan 8.290 nan 0.000 0.411 329 A N 0.097 122.759 122.820 -0.263 0.000 1.883 329 A HA -0.232 4.088 4.320 -0.001 0.000 0.217 329 A C 2.187 179.687 177.584 -0.140 0.000 1.186 329 A CA 2.153 54.097 52.037 -0.155 0.000 0.624 329 A CB -0.902 18.078 19.000 -0.033 0.000 0.822 329 A HN 0.604 nan 8.150 nan 0.000 0.444 330 E N -0.152 119.965 120.200 -0.138 0.000 2.085 330 E HA -0.235 4.114 4.350 -0.001 0.000 0.194 330 E C 1.991 178.509 176.600 -0.137 0.000 0.994 330 E CA 1.554 57.870 56.400 -0.140 0.000 0.801 330 E CB -0.111 29.512 29.700 -0.129 0.000 0.743 330 E HN 0.640 nan 8.360 nan 0.000 0.453 331 K N -0.035 120.274 120.400 -0.152 0.000 2.057 331 K HA -0.112 4.208 4.320 -0.001 0.000 0.207 331 K C 2.187 178.762 176.600 -0.040 0.000 1.049 331 K CA 1.255 57.472 56.287 -0.116 0.000 0.931 331 K CB -0.042 32.357 32.500 -0.169 0.000 0.714 331 K HN 0.044 nan 8.250 nan 0.000 0.440 332 V N 0.999 120.866 119.914 -0.077 0.000 2.255 332 V HA -0.238 3.881 4.120 -0.001 0.000 0.247 332 V C 2.398 178.539 176.094 0.077 0.000 1.051 332 V CA 2.309 64.610 62.300 0.002 0.000 1.018 332 V CB -1.020 30.779 31.823 -0.040 0.000 0.641 332 V HN 0.529 nan 8.190 nan 0.000 0.445 333 G N -0.596 108.191 108.800 -0.021 0.000 2.418 333 G HA2 -0.265 3.695 3.960 -0.001 0.000 0.217 333 G HA3 -0.265 3.695 3.960 -0.001 0.000 0.217 333 G C 1.239 176.092 174.900 -0.078 0.000 1.158 333 G CA 1.070 46.101 45.100 -0.115 0.000 0.771 333 G HN 0.505 nan 8.290 nan 0.000 0.545 334 D N -0.610 119.757 120.400 -0.055 0.000 2.123 334 D HA -0.138 4.501 4.640 -0.001 0.000 0.196 334 D C 1.919 178.283 176.300 0.107 0.000 0.992 334 D CA 0.831 54.826 54.000 -0.008 0.000 0.833 334 D CB -0.397 40.390 40.800 -0.022 0.000 0.954 334 D HN 0.405 nan 8.370 nan 0.000 0.455 335 Y N 0.790 121.134 120.300 0.074 0.000 2.145 335 Y HA -0.210 4.339 4.550 -0.001 0.000 0.286 335 Y C 2.387 178.447 175.900 0.268 0.000 1.145 335 Y CA 1.576 59.781 58.100 0.176 0.000 1.148 335 Y CB -0.192 38.351 38.460 0.138 0.000 0.981 335 Y HN -0.106 nan 8.280 nan 0.000 0.507 336 M N -0.164 119.655 119.600 0.365 0.000 2.080 336 M HA -0.254 4.226 4.480 -0.001 0.000 0.260 336 M C 2.282 178.758 176.300 0.293 0.000 1.068 336 M CA 2.228 57.732 55.300 0.340 0.000 1.109 336 M CB -0.457 32.405 32.600 0.437 0.000 1.342 336 M HN 0.326 nan 8.290 nan 0.000 0.405 337 E N 0.536 120.947 120.200 0.351 0.000 2.077 337 E HA -0.205 4.145 4.350 -0.001 0.000 0.193 337 E C 1.584 178.230 176.600 0.077 0.000 0.989 337 E CA 1.156 57.729 56.400 0.288 0.000 0.800 337 E CB 0.085 29.915 29.700 0.217 0.000 0.746 337 E HN 0.432 nan 8.360 nan 0.000 0.452 338 N N -0.078 118.606 118.700 -0.027 0.000 2.381 338 N HA -0.111 4.628 4.740 -0.001 0.000 0.182 338 N C 0.303 175.559 175.510 -0.424 0.000 1.025 338 N CA 0.934 53.854 53.050 -0.217 0.000 0.888 338 N CB -0.097 38.221 38.487 -0.281 0.000 0.965 338 N HN 0.320 nan 8.380 nan 0.000 0.438 339 H N -1.518 117.438 119.070 -0.189 0.000 2.469 339 H HA 0.395 4.951 4.556 -0.001 0.000 0.286 339 H C 1.232 176.531 175.328 -0.048 0.000 1.106 339 H CA 0.338 56.283 56.048 -0.173 0.000 1.055 339 H CB 0.289 29.862 29.762 -0.316 0.000 1.618 339 H HN 0.207 nan 8.280 nan 0.000 0.559 340 G N -0.251 108.572 108.800 0.038 0.000 2.254 340 G HA2 -0.292 3.668 3.960 -0.001 0.000 0.225 340 G HA3 -0.292 3.668 3.960 -0.001 0.000 0.225 340 G C 0.170 175.091 174.900 0.035 0.000 1.003 340 G CA 0.018 45.144 45.100 0.043 0.000 0.622 340 G HN 0.215 nan 8.290 nan 0.000 0.507 341 V N 2.700 122.635 119.914 0.036 0.000 2.485 341 V HA 0.284 4.403 4.120 -0.001 0.000 0.287 341 V C 0.836 176.857 176.094 -0.122 0.000 1.022 341 V CA 0.459 62.706 62.300 -0.088 0.000 1.067 341 V CB 0.894 32.630 31.823 -0.145 0.000 0.967 341 V HN 0.365 nan 8.190 nan 0.000 0.479 342 K N 4.827 125.132 120.400 -0.160 0.000 2.174 342 K HA 0.554 4.874 4.320 -0.001 0.000 0.275 342 K C -1.016 175.440 176.600 -0.239 0.000 1.015 342 K CA -0.208 56.046 56.287 -0.055 0.000 0.933 342 K CB 1.075 33.598 32.500 0.039 0.000 1.025 342 K HN 0.450 nan 8.250 nan 0.000 0.463 343 F N 1.010 120.999 119.950 0.064 0.000 2.427 343 F HA 0.314 4.841 4.527 -0.001 0.000 0.348 343 F C 0.131 175.986 175.800 0.091 0.000 1.125 343 F CA -0.860 57.172 58.000 0.052 0.000 0.989 343 F CB 1.749 40.770 39.000 0.034 0.000 1.165 343 F HN 0.496 nan 8.300 nan 0.000 0.442 344 A N 5.210 128.156 122.820 0.210 0.000 2.506 344 A HA 0.426 4.745 4.320 -0.001 0.000 0.320 344 A C -0.054 177.638 177.584 0.179 0.000 1.424 344 A CA -0.646 51.526 52.037 0.226 0.000 1.044 344 A CB -0.302 18.735 19.000 0.061 0.000 1.140 344 A HN 0.736 nan 8.150 nan 0.000 0.538 345 K N 1.620 122.173 120.400 0.255 0.000 2.174 345 K HA 0.488 4.808 4.320 -0.001 0.000 0.275 345 K C -0.181 176.528 176.600 0.182 0.000 1.015 345 K CA -0.625 55.764 56.287 0.171 0.000 0.933 345 K CB 0.851 33.426 32.500 0.126 0.000 1.025 345 K HN 0.625 nan 8.250 nan 0.000 0.463 346 L N 0.989 122.265 121.223 0.089 0.000 3.795 346 L HA -0.264 4.076 4.340 -0.001 0.000 0.489 346 L C -0.542 176.353 176.870 0.041 0.000 1.259 346 L CA -0.137 54.742 54.840 0.066 0.000 0.765 346 L CB -1.607 40.506 42.059 0.091 0.000 1.519 346 L HN 0.703 nan 8.230 nan 0.000 0.842 347 C N 1.291 120.522 119.300 -0.116 0.000 2.535 347 C HA 0.838 5.298 4.460 -0.001 0.000 0.319 347 C C 0.220 174.976 174.990 -0.390 0.000 1.171 347 C CA -0.026 58.762 59.018 -0.384 0.000 1.394 347 C CB 1.384 28.762 27.740 -0.604 0.000 1.990 347 C HN 0.359 nan 8.230 nan 0.000 0.466 348 V N 4.319 123.938 119.914 -0.490 0.000 2.715 348 V HA 0.861 4.980 4.120 -0.001 0.000 0.310 348 V C -2.711 173.175 176.094 -0.347 0.000 1.054 348 V CA -1.955 60.117 62.300 -0.381 0.000 0.928 348 V CB 1.759 33.387 31.823 -0.325 0.000 1.007 348 V HN 0.789 nan 8.190 nan 0.000 0.437 349 P HA 0.508 nan 4.420 nan 0.000 0.286 349 P C -0.789 176.520 177.300 0.014 0.000 1.261 349 P CA -0.107 62.943 63.100 -0.084 0.000 0.821 349 P CB 1.908 33.602 31.700 -0.010 0.000 1.013 350 D N 0.413 120.865 120.400 0.086 0.000 2.514 350 D HA 0.089 4.729 4.640 -0.001 0.000 0.249 350 D C 0.105 176.473 176.300 0.113 0.000 1.036 350 D CA 0.840 54.910 54.000 0.117 0.000 0.911 350 D CB 1.198 42.096 40.800 0.163 0.000 1.145 350 D HN 0.524 nan 8.370 nan 0.000 0.495 351 E N 0.152 120.435 120.200 0.138 0.000 2.381 351 E HA 0.375 4.725 4.350 -0.001 0.000 0.286 351 E C -1.769 174.942 176.600 0.185 0.000 0.960 351 E CA -0.476 56.013 56.400 0.148 0.000 0.793 351 E CB 1.767 31.543 29.700 0.127 0.000 1.225 351 E HN -0.191 nan 8.360 nan 0.000 0.420 352 I N 3.501 124.205 120.570 0.223 0.000 2.389 352 I HA 0.378 4.548 4.170 -0.001 0.000 0.288 352 I C -0.420 175.861 176.117 0.274 0.000 0.999 352 I CA -0.372 61.084 61.300 0.259 0.000 1.129 352 I CB 1.648 39.850 38.000 0.337 0.000 1.288 352 I HN 0.240 nan 8.210 nan 0.000 0.444 353 K N 5.008 125.485 120.400 0.130 0.000 2.270 353 K HA 0.440 4.759 4.320 -0.001 0.000 0.255 353 K C -0.753 175.705 176.600 -0.235 0.000 0.936 353 K CA -0.875 55.415 56.287 0.005 0.000 0.809 353 K CB 2.118 34.631 32.500 0.023 0.000 1.131 353 K HN 0.510 nan 8.250 nan 0.000 0.427 354 Q N 3.260 122.717 119.800 -0.571 0.000 2.286 354 Q HA 0.150 4.490 4.340 -0.001 0.000 0.257 354 Q C -0.024 175.812 176.000 -0.274 0.000 0.941 354 Q CA -0.016 55.416 55.803 -0.618 0.000 0.912 354 Q CB 0.658 28.812 28.738 -0.974 0.000 1.192 354 Q HN 0.649 nan 8.270 nan 0.000 0.410 355 L N 2.941 124.049 121.223 -0.191 0.000 2.537 355 L HA 0.377 4.716 4.340 -0.001 0.000 0.224 355 L C 0.318 177.129 176.870 -0.099 0.000 1.065 355 L CA 0.135 54.905 54.840 -0.116 0.000 0.860 355 L CB 0.404 42.412 42.059 -0.086 0.000 1.086 355 L HN 0.511 nan 8.230 nan 0.000 0.482 356 K N 0.200 120.534 120.400 -0.110 0.000 2.572 356 K HA 0.410 4.730 4.320 -0.001 0.000 0.263 356 K C -1.408 175.135 176.600 -0.095 0.000 0.932 356 K CA -0.558 55.676 56.287 -0.087 0.000 0.838 356 K CB 2.579 35.035 32.500 -0.072 0.000 1.366 356 K HN -0.274 nan 8.250 nan 0.000 0.425 357 V N 3.001 122.870 119.914 -0.076 0.000 2.732 357 V HA 0.162 4.282 4.120 -0.001 0.000 0.297 357 V C 0.357 176.385 176.094 -0.110 0.000 1.060 357 V CA -0.836 61.425 62.300 -0.065 0.000 1.038 357 V CB 1.489 33.294 31.823 -0.030 0.000 1.003 357 V HN 0.577 nan 8.190 nan 0.000 0.481 358 V N 3.232 123.054 119.914 -0.154 0.000 2.644 358 V HA -0.046 4.074 4.120 -0.001 0.000 0.305 358 V C 0.631 176.609 176.094 -0.193 0.000 1.053 358 V CA 0.327 62.438 62.300 -0.314 0.000 1.186 358 V CB 0.597 32.161 31.823 -0.431 0.000 0.895 358 V HN 0.946 nan 8.190 nan 0.000 0.490 359 D N 4.130 124.412 120.400 -0.197 0.000 2.374 359 D HA 0.063 4.703 4.640 -0.001 0.000 0.240 359 D C 1.315 177.585 176.300 -0.049 0.000 1.229 359 D CA 0.208 54.154 54.000 -0.091 0.000 0.895 359 D CB 1.296 42.057 40.800 -0.065 0.000 1.046 359 D HN 0.764 nan 8.370 nan 0.000 0.498 360 T N 0.694 115.242 114.554 -0.010 0.000 3.113 360 T HA 0.008 4.358 4.350 -0.001 0.000 0.256 360 T C 1.177 175.908 174.700 0.051 0.000 1.131 360 T CA 0.506 62.630 62.100 0.039 0.000 1.074 360 T CB 0.289 69.186 68.868 0.047 0.000 0.944 360 T HN 0.190 nan 8.240 nan 0.000 0.516 361 E N 1.658 121.878 120.200 0.035 0.000 2.206 361 E HA 0.239 4.588 4.350 -0.001 0.000 0.195 361 E C 1.626 178.251 176.600 0.043 0.000 0.935 361 E CA 0.439 56.861 56.400 0.038 0.000 0.875 361 E CB -0.000 29.715 29.700 0.025 0.000 0.841 361 E HN 0.577 nan 8.360 nan 0.000 0.477 362 N N 0.839 119.560 118.700 0.036 0.000 2.336 362 N HA 0.047 4.786 4.740 -0.001 0.000 0.189 362 N C -0.652 174.901 175.510 0.072 0.000 1.113 362 N CA -0.001 53.075 53.050 0.043 0.000 0.858 362 N CB 0.254 38.755 38.487 0.025 0.000 0.970 362 N HN -0.024 nan 8.380 nan 0.000 0.471 363 N N 1.304 120.059 118.700 0.091 0.000 2.688 363 N HA -0.177 4.563 4.740 -0.001 0.000 0.258 363 N C -1.133 174.491 175.510 0.189 0.000 1.016 363 N CA 1.161 54.313 53.050 0.170 0.000 0.747 363 N CB -0.734 37.879 38.487 0.209 0.000 0.895 363 N HN 0.445 nan 8.380 nan 0.000 0.543 364 K N 0.370 120.807 120.400 0.062 0.000 2.318 364 K HA 0.514 4.833 4.320 -0.001 0.000 0.249 364 K C -2.264 174.204 176.600 -0.220 0.000 0.942 364 K CA -1.668 54.638 56.287 0.031 0.000 0.808 364 K CB 2.279 34.783 32.500 0.008 0.000 1.189 364 K HN -0.062 nan 8.250 nan 0.000 0.428 365 P HA 0.023 nan 4.420 nan 0.000 0.274 365 P C -0.163 176.974 177.300 -0.271 0.000 1.256 365 P CA -0.191 62.675 63.100 -0.390 0.000 0.795 365 P CB 0.686 32.450 31.700 0.106 0.000 1.038 366 G N 0.030 108.675 108.800 -0.257 0.000 2.666 366 G HA2 0.480 4.439 3.960 -0.001 0.000 0.207 366 G HA3 0.480 4.439 3.960 -0.001 0.000 0.207 366 G C -1.129 173.728 174.900 -0.072 0.000 1.481 366 G CA -0.207 44.808 45.100 -0.141 0.000 1.071 366 G HN 0.532 nan 8.290 nan 0.000 0.572 367 L N -1.182 120.002 121.223 -0.066 0.000 2.505 367 L HA 0.651 4.991 4.340 -0.001 0.000 0.259 367 L C -1.280 175.553 176.870 -0.060 0.000 0.952 367 L CA -0.441 54.372 54.840 -0.045 0.000 0.840 367 L CB 1.994 44.021 42.059 -0.053 0.000 1.358 367 L HN 0.417 nan 8.230 nan 0.000 0.409 368 L N 4.070 125.285 121.223 -0.014 0.000 2.354 368 L HA 0.629 4.968 4.340 -0.001 0.000 0.264 368 L C -1.352 175.542 176.870 0.040 0.000 1.008 368 L CA -0.940 53.898 54.840 -0.003 0.000 0.819 368 L CB 2.169 44.258 42.059 0.051 0.000 1.339 368 L HN 0.487 nan 8.230 nan 0.000 0.420 369 L N 2.452 123.695 121.223 0.035 0.000 2.298 369 L HA 0.555 4.894 4.340 -0.001 0.000 0.284 369 L C -0.751 176.207 176.870 0.147 0.000 1.013 369 L CA -0.258 54.619 54.840 0.062 0.000 0.824 369 L CB 1.700 43.767 42.059 0.014 0.000 1.221 369 L HN 0.258 nan 8.230 nan 0.000 0.418 370 V N 5.414 125.475 119.914 0.246 0.000 2.394 370 V HA 0.464 4.583 4.120 -0.001 0.000 0.282 370 V C -0.033 176.253 176.094 0.320 0.000 1.031 370 V CA -0.694 61.802 62.300 0.327 0.000 0.881 370 V CB 1.340 33.463 31.823 0.500 0.000 0.982 370 V HN 0.662 nan 8.190 nan 0.000 0.451 371 K N 3.020 123.579 120.400 0.265 0.000 2.221 371 K HA 0.808 5.127 4.320 -0.001 0.000 0.258 371 K C 0.205 176.965 176.600 0.267 0.000 0.944 371 K CA -0.286 56.151 56.287 0.251 0.000 0.823 371 K CB 2.219 34.815 32.500 0.160 0.000 1.113 371 K HN 0.910 nan 8.250 nan 0.000 0.431 372 G N 1.018 110.005 108.800 0.313 0.000 2.706 372 G HA2 0.490 4.450 3.960 -0.001 0.000 0.307 372 G HA3 0.490 4.450 3.960 -0.001 0.000 0.307 372 G C -1.867 173.170 174.900 0.228 0.000 1.307 372 G CA -0.657 44.548 45.100 0.175 0.000 0.790 372 G HN 0.793 nan 8.290 nan 0.000 0.503 373 H N -2.389 116.652 119.070 -0.047 0.000 3.085 373 H HA 0.640 5.196 4.556 -0.001 0.000 0.356 373 H C -1.842 173.420 175.328 -0.110 0.000 1.178 373 H CA -1.037 55.007 56.048 -0.007 0.000 1.214 373 H CB 0.795 30.591 29.762 0.057 0.000 1.881 373 H HN 0.491 nan 8.280 nan 0.000 0.538 374 Y N 0.803 121.164 120.300 0.102 0.000 2.314 374 Y HA 0.116 4.666 4.550 -0.000 0.000 0.334 374 Y C 2.164 178.120 175.900 0.093 0.000 1.266 374 Y CA 0.483 58.606 58.100 0.039 0.000 1.391 374 Y CB 1.157 39.666 38.460 0.082 0.000 1.306 374 Y HN 0.940 nan 8.280 nan 0.000 0.558 375 T N -3.071 111.612 114.554 0.214 0.000 2.929 375 T HA -0.203 4.146 4.350 -0.001 0.000 0.271 375 T C 0.969 175.767 174.700 0.164 0.000 1.085 375 T CA 1.385 63.584 62.100 0.165 0.000 1.125 375 T CB -0.363 68.566 68.868 0.102 0.000 0.874 375 T HN 0.755 nan 8.240 nan 0.000 0.494 376 D N 0.950 121.454 120.400 0.174 0.000 2.349 376 D HA 0.210 4.850 4.640 -0.001 0.000 0.224 376 D C 1.688 178.066 176.300 0.130 0.000 1.029 376 D CA 0.634 54.705 54.000 0.118 0.000 0.879 376 D CB -0.754 40.086 40.800 0.067 0.000 0.906 376 D HN 0.603 nan 8.370 nan 0.000 0.528 377 G N -0.204 108.711 108.800 0.192 0.000 2.195 377 G HA2 -0.254 3.706 3.960 -0.001 0.000 0.246 377 G HA3 -0.254 3.706 3.960 -0.001 0.000 0.246 377 G C 0.206 175.216 174.900 0.184 0.000 0.984 377 G CA -0.038 45.161 45.100 0.164 0.000 0.633 377 G HN 0.317 nan 8.290 nan 0.000 0.525 378 K N 1.242 121.780 120.400 0.229 0.000 2.326 378 K HA 0.341 4.661 4.320 -0.001 0.000 0.275 378 K C 0.713 177.538 176.600 0.376 0.000 1.018 378 K CA -0.049 56.384 56.287 0.244 0.000 0.962 378 K CB 0.870 33.471 32.500 0.167 0.000 0.953 378 K HN 0.381 nan 8.250 nan 0.000 0.475 379 K N 1.590 122.157 120.400 0.278 0.000 2.185 379 K HA 0.183 4.503 4.320 -0.001 0.000 0.271 379 K C -0.292 176.517 176.600 0.348 0.000 1.013 379 K CA -0.314 56.138 56.287 0.274 0.000 0.943 379 K CB 0.477 33.076 32.500 0.165 0.000 0.998 379 K HN 0.355 nan 8.250 nan 0.000 0.468 380 F N 2.258 122.284 119.950 0.128 0.000 2.426 380 F HA 0.232 4.758 4.527 -0.001 0.000 0.348 380 F C -0.569 175.278 175.800 0.079 0.000 1.124 380 F CA -0.345 57.704 58.000 0.081 0.000 1.008 380 F CB 1.125 40.035 39.000 -0.150 0.000 1.139 380 F HN 0.488 nan 8.300 nan 0.000 0.452 381 E N 5.775 125.759 120.200 -0.361 0.000 2.361 381 E HA 0.228 4.578 4.350 -0.001 0.000 0.270 381 E C -1.731 174.628 176.600 -0.402 0.000 0.911 381 E CA -0.381 55.873 56.400 -0.243 0.000 0.818 381 E CB 1.186 30.840 29.700 -0.077 0.000 1.332 381 E HN 0.811 nan 8.360 nan 0.000 0.402 382 E N 3.238 123.196 120.200 -0.403 0.000 2.343 382 E HA 0.232 4.582 4.350 -0.001 0.000 0.278 382 E C -1.315 175.060 176.600 -0.376 0.000 0.910 382 E CA -0.603 55.517 56.400 -0.466 0.000 0.757 382 E CB 1.565 30.852 29.700 -0.690 0.000 1.218 382 E HN 0.367 nan 8.360 nan 0.000 0.435 383 E N 2.570 122.485 120.200 -0.474 0.000 2.259 383 E HA 0.341 4.691 4.350 -0.001 0.000 0.281 383 E C -1.091 175.117 176.600 -0.654 0.000 1.027 383 E CA -0.104 56.080 56.400 -0.359 0.000 0.838 383 E CB 0.871 30.429 29.700 -0.236 0.000 1.066 383 E HN 0.210 nan 8.360 nan 0.000 0.401 384 F N 0.647 120.581 119.950 -0.026 0.000 2.565 384 F HA 0.209 4.735 4.527 -0.001 0.000 0.313 384 F C 1.191 176.971 175.800 -0.034 0.000 1.091 384 F CA -0.673 57.311 58.000 -0.026 0.000 0.915 384 F CB 1.675 40.660 39.000 -0.024 0.000 1.208 384 F HN 0.445 nan 8.300 nan 0.000 0.453 385 E N 0.215 120.502 120.200 0.145 0.000 2.152 385 E HA 0.014 4.363 4.350 -0.001 0.000 0.192 385 E C -0.121 176.526 176.600 0.077 0.000 0.983 385 E CA 0.974 57.422 56.400 0.080 0.000 0.818 385 E CB 0.222 29.967 29.700 0.075 0.000 0.758 385 E HN 0.465 nan 8.360 nan 0.000 0.467 386 T N 0.577 115.166 114.554 0.058 0.000 2.916 386 T HA 0.402 4.752 4.350 -0.001 0.000 0.298 386 T C -0.925 173.704 174.700 -0.118 0.000 1.031 386 T CA -0.601 61.484 62.100 -0.024 0.000 0.993 386 T CB 2.541 71.345 68.868 -0.106 0.000 1.045 386 T HN -0.241 nan 8.240 nan 0.000 0.454 387 V N 4.376 124.178 119.914 -0.187 0.000 2.409 387 V HA 0.533 4.653 4.120 -0.001 0.000 0.291 387 V C -0.424 175.352 176.094 -0.530 0.000 1.020 387 V CA -0.750 61.317 62.300 -0.388 0.000 0.848 387 V CB 1.300 32.893 31.823 -0.383 0.000 0.990 387 V HN 0.767 nan 8.190 nan 0.000 0.430 388 I N 5.036 125.275 120.570 -0.553 0.000 2.378 388 I HA 0.470 4.639 4.170 -0.001 0.000 0.291 388 I C -0.879 174.904 176.117 -0.556 0.000 0.992 388 I CA -0.354 60.648 61.300 -0.497 0.000 1.154 388 I CB 1.499 39.288 38.000 -0.351 0.000 1.315 388 I HN 0.383 nan 8.210 nan 0.000 0.448 389 F N 4.638 124.456 119.950 -0.221 0.000 2.411 389 F HA 0.562 5.089 4.527 -0.001 0.000 0.350 389 F C 0.639 176.298 175.800 -0.236 0.000 1.114 389 F CA -0.660 57.196 58.000 -0.241 0.000 1.135 389 F CB 1.441 40.246 39.000 -0.325 0.000 1.120 389 F HN 0.468 nan 8.300 nan 0.000 0.495 390 A N 2.662 125.480 122.820 -0.005 0.000 3.370 390 A HA 0.528 4.847 4.320 -0.001 0.000 0.295 390 A C -0.130 177.431 177.584 -0.038 0.000 1.030 390 A CA -0.381 51.621 52.037 -0.057 0.000 0.883 390 A CB -0.095 18.847 19.000 -0.095 0.000 1.191 390 A HN 0.745 nan 8.150 nan 0.000 0.507 391 V N -1.541 118.355 119.914 -0.031 0.000 3.043 391 V HA 0.671 4.790 4.120 -0.001 0.000 0.357 391 V C 0.619 176.696 176.094 -0.029 0.000 1.372 391 V CA 0.201 62.484 62.300 -0.028 0.000 1.214 391 V CB -0.870 30.931 31.823 -0.037 0.000 1.224 391 V HN 2.010 nan 8.190 nan 0.000 0.507 392 G N 0.740 109.520 108.800 -0.033 0.000 2.525 392 G HA2 0.025 3.985 3.960 -0.001 0.000 0.685 392 G HA3 0.025 3.985 3.960 -0.001 0.000 0.685 392 G C -0.785 174.106 174.900 -0.015 0.000 1.290 392 G CA -0.644 44.446 45.100 -0.018 0.000 0.915 392 G HN 0.614 nan 8.290 nan 0.000 0.548 393 R N -0.079 120.425 120.500 0.006 0.000 2.837 393 R HA 0.695 5.035 4.340 -0.001 0.000 0.271 393 R C -0.503 175.815 176.300 0.031 0.000 0.993 393 R CA -0.683 55.431 56.100 0.022 0.000 0.931 393 R CB 2.231 32.550 30.300 0.032 0.000 1.206 393 R HN 0.887 nan 8.270 nan 0.000 0.474 394 E N 1.390 121.614 120.200 0.040 0.000 2.331 394 E HA 0.464 4.814 4.350 -0.001 0.000 0.275 394 E C -2.851 173.775 176.600 0.044 0.000 0.895 394 E CA -2.345 54.078 56.400 0.038 0.000 0.753 394 E CB 2.668 32.389 29.700 0.034 0.000 1.216 394 E HN 0.167 nan 8.360 nan 0.000 0.434 395 P HA 0.027 nan 4.420 nan 0.000 0.272 395 P C -0.697 176.626 177.300 0.038 0.000 1.230 395 P CA -0.188 62.935 63.100 0.038 0.000 0.788 395 P CB 0.576 32.292 31.700 0.028 0.000 0.949 396 Q N 0.874 120.699 119.800 0.041 0.000 2.506 396 Q HA 0.252 4.592 4.340 -0.001 0.000 0.380 396 Q C 0.877 176.898 176.000 0.036 0.000 0.867 396 Q CA -0.172 55.654 55.803 0.040 0.000 1.093 396 Q CB 0.123 28.891 28.738 0.049 0.000 1.388 396 Q HN 0.361 nan 8.270 nan 0.000 0.400 397 L N 0.066 121.306 121.223 0.028 0.000 2.465 397 L HA -0.111 4.228 4.340 -0.001 0.000 0.224 397 L C 2.269 179.150 176.870 0.018 0.000 1.145 397 L CA 1.035 55.889 54.840 0.023 0.000 0.834 397 L CB -0.092 41.977 42.059 0.017 0.000 0.944 397 L HN 0.376 nan 8.230 nan 0.000 0.451 398 S N -0.508 115.202 115.700 0.017 0.000 2.447 398 S HA -0.171 4.298 4.470 -0.001 0.000 0.233 398 S C 1.748 176.358 174.600 0.017 0.000 1.006 398 S CA 0.727 58.935 58.200 0.013 0.000 0.957 398 S CB -0.220 62.986 63.200 0.011 0.000 0.773 398 S HN 0.444 nan 8.310 nan 0.000 0.507 399 K N 0.402 120.817 120.400 0.026 0.000 2.459 399 K HA 0.228 4.547 4.320 -0.001 0.000 0.193 399 K C 1.024 177.643 176.600 0.033 0.000 1.030 399 K CA 0.514 56.822 56.287 0.034 0.000 1.026 399 K CB 0.237 32.770 32.500 0.055 0.000 0.809 399 K HN 0.336 nan 8.250 nan 0.000 0.504 400 V N 0.354 120.284 119.914 0.028 0.000 3.250 400 V HA 0.093 4.213 4.120 -0.001 0.000 0.240 400 V C -0.119 175.983 176.094 0.014 0.000 1.275 400 V CA -0.010 62.306 62.300 0.026 0.000 1.206 400 V CB 0.240 32.083 31.823 0.034 0.000 0.976 400 V HN 0.122 nan 8.190 nan 0.000 0.467 401 L N -1.698 119.530 121.223 0.010 0.000 2.362 401 L HA 0.710 5.050 4.340 -0.001 0.000 0.271 401 L C -0.545 176.325 176.870 -0.000 0.000 1.002 401 L CA -0.762 54.079 54.840 0.002 0.000 0.818 401 L CB 0.551 42.608 42.059 -0.003 0.000 1.298 401 L HN -0.144 nan 8.230 nan 0.000 0.420 402 C N 1.888 121.187 119.300 -0.003 0.000 2.637 402 C HA 0.194 4.654 4.460 -0.001 0.000 0.418 402 C C 1.897 176.883 174.990 -0.006 0.000 1.319 402 C CA -0.305 58.711 59.018 -0.003 0.000 1.949 402 C CB 0.105 27.844 27.740 -0.002 0.000 2.639 402 C HN 0.923 nan 8.230 nan 0.000 0.594 403 E N 1.152 121.349 120.200 -0.005 0.000 2.265 403 E HA -0.132 4.217 4.350 -0.001 0.000 0.196 403 E C 2.029 178.624 176.600 -0.008 0.000 0.996 403 E CA 1.652 58.048 56.400 -0.007 0.000 0.832 403 E CB -0.393 29.304 29.700 -0.005 0.000 0.756 403 E HN 0.953 nan 8.360 nan 0.000 0.491 404 T N -1.785 112.765 114.554 -0.006 0.000 3.118 404 T HA 0.040 4.390 4.350 -0.001 0.000 0.260 404 T C 1.958 176.652 174.700 -0.009 0.000 1.139 404 T CA 0.252 62.349 62.100 -0.006 0.000 1.085 404 T CB -0.131 68.736 68.868 -0.002 0.000 0.934 404 T HN -0.085 nan 8.240 nan 0.000 0.518 405 V N 1.243 121.148 119.914 -0.014 0.000 2.515 405 V HA 0.217 4.337 4.120 -0.001 0.000 0.250 405 V C 2.323 178.398 176.094 -0.031 0.000 1.058 405 V CA 1.438 63.724 62.300 -0.023 0.000 1.064 405 V CB -1.240 30.566 31.823 -0.028 0.000 0.675 405 V HN 0.812 nan 8.190 nan 0.000 0.461 406 G N -0.388 108.395 108.800 -0.028 0.000 2.134 406 G HA2 -0.188 3.772 3.960 -0.001 0.000 0.209 406 G HA3 -0.188 3.772 3.960 -0.001 0.000 0.209 406 G C 0.037 174.913 174.900 -0.040 0.000 0.993 406 G CA -0.056 45.025 45.100 -0.031 0.000 0.669 406 G HN 0.398 nan 8.290 nan 0.000 0.519 407 V N 1.645 121.535 119.914 -0.040 0.000 2.427 407 V HA 0.345 4.465 4.120 -0.001 0.000 0.268 407 V C 0.971 177.045 176.094 -0.033 0.000 1.046 407 V CA -0.188 62.085 62.300 -0.044 0.000 0.970 407 V CB 1.468 33.265 31.823 -0.043 0.000 1.001 407 V HN 0.402 nan 8.190 nan 0.000 0.476 408 K N 5.834 126.213 120.400 -0.035 0.000 2.276 408 K HA 0.502 4.822 4.320 -0.001 0.000 0.283 408 K C -0.956 175.630 176.600 -0.024 0.000 1.044 408 K CA -0.405 55.866 56.287 -0.028 0.000 0.944 408 K CB 0.539 33.022 32.500 -0.029 0.000 1.012 408 K HN 0.588 nan 8.250 nan 0.000 0.472 409 L N 3.206 124.419 121.223 -0.018 0.000 2.330 409 L HA 0.328 4.667 4.340 -0.001 0.000 0.271 409 L C 0.148 177.009 176.870 -0.014 0.000 1.013 409 L CA -1.232 53.599 54.840 -0.015 0.000 0.816 409 L CB 1.557 43.611 42.059 -0.009 0.000 1.287 409 L HN 0.818 nan 8.230 nan 0.000 0.435 410 D N 0.555 120.947 120.400 -0.014 0.000 2.447 410 D HA 0.039 4.679 4.640 -0.001 0.000 0.265 410 D C 0.719 177.013 176.300 -0.010 0.000 1.250 410 D CA -0.531 53.461 54.000 -0.014 0.000 1.046 410 D CB 0.634 41.424 40.800 -0.017 0.000 1.095 410 D HN 0.304 nan 8.370 nan 0.000 0.555 411 K N -0.375 120.019 120.400 -0.009 0.000 2.211 411 K HA -0.147 4.172 4.320 -0.001 0.000 0.204 411 K C 0.811 177.408 176.600 -0.004 0.000 1.047 411 K CA 1.010 57.293 56.287 -0.006 0.000 0.935 411 K CB -0.441 32.055 32.500 -0.007 0.000 0.728 411 K HN 0.498 nan 8.250 nan 0.000 0.452 412 N N -1.046 117.651 118.700 -0.004 0.000 2.336 412 N HA 0.029 4.769 4.740 -0.001 0.000 0.189 412 N C 0.670 176.182 175.510 0.003 0.000 1.113 412 N CA 0.400 53.450 53.050 -0.000 0.000 0.858 412 N CB 0.578 39.065 38.487 -0.000 0.000 0.970 412 N HN 0.313 nan 8.380 nan 0.000 0.471 413 G N 1.148 109.949 108.800 0.000 0.000 2.141 413 G HA2 -0.287 3.672 3.960 -0.001 0.000 0.242 413 G HA3 -0.287 3.672 3.960 -0.001 0.000 0.242 413 G C 0.044 174.946 174.900 0.003 0.000 0.982 413 G CA -0.276 44.826 45.100 0.003 0.000 0.662 413 G HN 0.235 nan 8.290 nan 0.000 0.527 414 R N -0.489 120.011 120.500 -0.001 0.000 2.532 414 R HA 0.566 4.905 4.340 -0.001 0.000 0.272 414 R C 0.359 176.653 176.300 -0.010 0.000 1.032 414 R CA -0.654 55.445 56.100 -0.003 0.000 1.089 414 R CB 1.461 31.757 30.300 -0.007 0.000 1.098 414 R HN 0.075 nan 8.270 nan 0.000 0.526 415 V N 2.582 122.490 119.914 -0.011 0.000 2.530 415 V HA 0.077 4.196 4.120 -0.001 0.000 0.282 415 V C 0.280 176.358 176.094 -0.026 0.000 1.048 415 V CA -0.505 61.785 62.300 -0.016 0.000 0.997 415 V CB 1.305 33.121 31.823 -0.011 0.000 0.987 415 V HN 0.422 nan 8.190 nan 0.000 0.477 416 V N 4.747 124.643 119.914 -0.030 0.000 2.427 416 V HA 0.214 4.333 4.120 -0.001 0.000 0.268 416 V C 0.229 176.300 176.094 -0.038 0.000 1.046 416 V CA -0.111 62.169 62.300 -0.035 0.000 0.970 416 V CB 0.443 32.247 31.823 -0.031 0.000 1.001 416 V HN 1.029 nan 8.190 nan 0.000 0.476 417 C N 3.695 122.972 119.300 -0.038 0.000 2.614 417 C HA 0.723 5.182 4.460 -0.001 0.000 0.320 417 C C 0.999 175.978 174.990 -0.019 0.000 1.200 417 C CA -0.627 58.373 59.018 -0.029 0.000 1.700 417 C CB 1.883 29.616 27.740 -0.012 0.000 2.275 417 C HN 0.964 nan 8.230 nan 0.000 0.492 418 T N -1.165 113.388 114.554 -0.003 0.000 2.726 418 T HA 0.121 4.471 4.350 -0.001 0.000 0.294 418 T C 0.943 175.675 174.700 0.052 0.000 1.013 418 T CA 0.329 62.441 62.100 0.020 0.000 0.996 418 T CB 0.406 69.291 68.868 0.028 0.000 1.016 418 T HN 0.785 nan 8.240 nan 0.000 0.529 419 D N -0.271 120.171 120.400 0.070 0.000 2.392 419 D HA -0.104 4.535 4.640 -0.001 0.000 0.228 419 D C 0.779 177.176 176.300 0.162 0.000 1.003 419 D CA 0.558 54.628 54.000 0.117 0.000 0.917 419 D CB -0.351 40.513 40.800 0.107 0.000 0.890 419 D HN 0.794 nan 8.370 nan 0.000 0.532 420 D N -0.087 120.403 120.400 0.149 0.000 2.593 420 D HA 0.074 4.713 4.640 -0.001 0.000 0.241 420 D C -0.138 176.310 176.300 0.247 0.000 1.257 420 D CA -0.426 53.682 54.000 0.179 0.000 0.828 420 D CB 0.022 40.914 40.800 0.152 0.000 1.049 420 D HN -0.066 nan 8.370 nan 0.000 0.490 421 E N -0.698 119.633 120.200 0.218 0.000 3.496 421 E HA -0.257 4.093 4.350 -0.001 0.000 0.300 421 E C -0.013 176.734 176.600 0.245 0.000 0.877 421 E CA 0.757 57.298 56.400 0.235 0.000 1.050 421 E CB -1.896 27.962 29.700 0.264 0.000 1.532 421 E HN 0.617 nan 8.360 nan 0.000 0.447 422 Q N 1.002 120.875 119.800 0.121 0.000 2.304 422 Q HA 0.273 4.612 4.340 -0.001 0.000 0.260 422 Q C 0.601 176.478 176.000 -0.205 0.000 0.965 422 Q CA 0.583 56.222 55.803 -0.274 0.000 0.898 422 Q CB 0.718 29.319 28.738 -0.229 0.000 1.196 422 Q HN 0.327 nan 8.270 nan 0.000 0.402 423 T N -0.530 113.855 114.554 -0.283 0.000 2.833 423 T HA 0.137 4.487 4.350 -0.001 0.000 0.292 423 T C 1.267 175.873 174.700 -0.156 0.000 1.031 423 T CA 0.075 62.076 62.100 -0.165 0.000 0.937 423 T CB 0.682 69.466 68.868 -0.139 0.000 1.256 423 T HN 0.730 nan 8.240 nan 0.000 0.551 424 T N -1.701 112.789 114.554 -0.107 0.000 3.072 424 T HA 0.121 4.470 4.350 -0.001 0.000 0.266 424 T C 0.647 175.289 174.700 -0.098 0.000 1.127 424 T CA -0.042 62.006 62.100 -0.087 0.000 1.107 424 T CB -0.479 68.354 68.868 -0.059 0.000 0.910 424 T HN 0.417 nan 8.240 nan 0.000 0.513 425 V N 2.363 122.201 119.914 -0.127 0.000 2.350 425 V HA 0.273 4.392 4.120 -0.001 0.000 0.276 425 V C 1.100 177.073 176.094 -0.201 0.000 1.028 425 V CA -0.504 61.713 62.300 -0.138 0.000 0.860 425 V CB 1.287 33.031 31.823 -0.132 0.000 0.990 425 V HN 0.327 nan 8.190 nan 0.000 0.453 426 S N 3.346 118.947 115.700 -0.164 0.000 2.423 426 S HA -0.128 4.341 4.470 -0.001 0.000 0.231 426 S C 1.713 176.181 174.600 -0.221 0.000 1.014 426 S CA 1.433 59.523 58.200 -0.183 0.000 0.965 426 S CB -0.223 62.930 63.200 -0.078 0.000 0.785 426 S HN 0.970 nan 8.310 nan 0.000 0.495 427 N N 1.042 119.651 118.700 -0.152 0.000 2.336 427 N HA 0.006 4.746 4.740 -0.001 0.000 0.189 427 N C -0.152 175.333 175.510 -0.042 0.000 1.113 427 N CA 0.152 53.183 53.050 -0.031 0.000 0.858 427 N CB 0.096 38.565 38.487 -0.030 0.000 0.970 427 N HN 0.177 nan 8.380 nan 0.000 0.471 428 V N 1.596 121.359 119.914 -0.250 0.000 2.398 428 V HA 0.393 4.513 4.120 -0.001 0.000 0.286 428 V C -1.005 174.885 176.094 -0.339 0.000 1.026 428 V CA -0.688 61.518 62.300 -0.157 0.000 0.868 428 V CB 0.661 32.402 31.823 -0.137 0.000 0.982 428 V HN 0.038 nan 8.190 nan 0.000 0.443 429 Y N 1.949 122.241 120.300 -0.014 0.000 2.562 429 Y HA 0.818 5.368 4.550 -0.001 0.000 0.343 429 Y C 0.257 176.163 175.900 0.009 0.000 1.025 429 Y CA -0.847 57.253 58.100 0.000 0.000 1.082 429 Y CB 2.284 40.749 38.460 0.008 0.000 1.264 429 Y HN 0.691 nan 8.280 nan 0.000 0.478 430 A N 2.944 125.859 122.820 0.159 0.000 2.393 430 A HA 0.865 5.185 4.320 -0.001 0.000 0.306 430 A C -1.103 176.546 177.584 0.109 0.000 1.050 430 A CA -0.617 51.481 52.037 0.101 0.000 0.724 430 A CB 0.752 19.780 19.000 0.047 0.000 1.248 430 A HN 0.739 nan 8.150 nan 0.000 0.424 431 I N -0.826 119.801 120.570 0.095 0.000 3.145 431 I HA 0.949 5.118 4.170 -0.001 0.000 0.313 431 I C 0.521 176.683 176.117 0.076 0.000 1.122 431 I CA -0.321 61.038 61.300 0.098 0.000 0.987 431 I CB 1.979 40.040 38.000 0.102 0.000 1.236 431 I HN 1.753 nan 8.210 nan 0.000 0.453 432 G N 2.775 111.626 108.800 0.084 0.000 2.553 432 G HA2 -0.247 3.712 3.960 -0.001 0.000 0.242 432 G HA3 -0.247 3.712 3.960 -0.001 0.000 0.242 432 G C 0.056 174.989 174.900 0.055 0.000 1.277 432 G CA 0.581 45.723 45.100 0.070 0.000 0.910 432 G HN 0.821 nan 8.290 nan 0.000 0.576 433 D N 0.384 120.816 120.400 0.054 0.000 2.221 433 D HA -0.100 4.540 4.640 -0.001 0.000 0.204 433 D C 2.465 178.785 176.300 0.033 0.000 0.982 433 D CA 1.635 55.664 54.000 0.049 0.000 0.857 433 D CB -0.240 40.596 40.800 0.060 0.000 0.934 433 D HN 0.744 nan 8.370 nan 0.000 0.475 434 I N -2.129 118.461 120.570 0.033 0.000 3.428 434 I HA 0.020 4.190 4.170 -0.001 0.000 0.286 434 I C 0.588 176.708 176.117 0.006 0.000 1.287 434 I CA 0.010 61.323 61.300 0.022 0.000 1.396 434 I CB -0.202 37.815 38.000 0.029 0.000 1.062 434 I HN -0.259 nan 8.210 nan 0.000 0.471 435 N N 3.260 121.960 118.700 -0.001 0.000 2.399 435 N HA 0.235 4.974 4.740 -0.001 0.000 0.259 435 N C -0.090 175.381 175.510 -0.064 0.000 1.160 435 N CA 0.184 53.215 53.050 -0.031 0.000 0.946 435 N CB 1.000 39.466 38.487 -0.035 0.000 1.156 435 N HN 0.397 nan 8.380 nan 0.000 0.489 436 A N 2.555 125.341 122.820 -0.058 0.000 2.546 436 A HA 0.423 4.742 4.320 -0.001 0.000 0.243 436 A C 1.467 178.994 177.584 -0.096 0.000 1.063 436 A CA 0.602 52.603 52.037 -0.060 0.000 0.757 436 A CB -0.477 18.496 19.000 -0.045 0.000 0.991 436 A HN 1.131 nan 8.150 nan 0.000 0.503 437 G N 1.561 110.310 108.800 -0.085 0.000 2.199 437 G HA2 -0.211 3.749 3.960 -0.001 0.000 0.254 437 G HA3 -0.211 3.749 3.960 -0.001 0.000 0.254 437 G C 0.273 175.088 174.900 -0.142 0.000 0.982 437 G CA 0.578 45.618 45.100 -0.101 0.000 0.632 437 G HN 0.757 nan 8.290 nan 0.000 0.529 438 K N 1.141 121.433 120.400 -0.181 0.000 2.174 438 K HA 0.526 4.845 4.320 -0.001 0.000 0.275 438 K C -2.395 174.170 176.600 -0.059 0.000 1.015 438 K CA -2.348 53.804 56.287 -0.225 0.000 0.933 438 K CB 0.596 32.883 32.500 -0.355 0.000 1.025 438 K HN 0.061 nan 8.250 nan 0.000 0.463 439 P HA 0.020 nan 4.420 nan 0.000 0.263 439 P C -0.692 176.644 177.300 0.060 0.000 1.195 439 P CA 0.155 63.276 63.100 0.035 0.000 0.762 439 P CB 0.292 32.028 31.700 0.059 0.000 0.799 440 Q N 2.924 122.762 119.800 0.063 0.000 2.681 440 Q HA 0.354 4.693 4.340 -0.001 0.000 0.222 440 Q C -0.460 175.604 176.000 0.108 0.000 1.258 440 Q CA -0.040 55.816 55.803 0.088 0.000 1.014 440 Q CB -0.094 28.706 28.738 0.102 0.000 1.384 440 Q HN 0.432 nan 8.270 nan 0.000 0.570 441 L N -0.607 120.667 121.223 0.085 0.000 2.393 441 L HA 0.364 4.704 4.340 -0.001 0.000 0.260 441 L C 1.102 178.007 176.870 0.058 0.000 1.002 441 L CA -0.642 54.241 54.840 0.072 0.000 0.818 441 L CB 1.970 44.054 42.059 0.043 0.000 1.369 441 L HN 0.212 nan 8.230 nan 0.000 0.412 442 T N 0.559 115.143 114.554 0.050 0.000 2.708 442 T HA -0.056 4.294 4.350 -0.001 0.000 0.266 442 T C -1.173 173.537 174.700 0.016 0.000 1.037 442 T CA 1.792 63.911 62.100 0.032 0.000 1.146 442 T CB -0.511 68.374 68.868 0.028 0.000 0.865 442 T HN 0.466 nan 8.240 nan 0.000 0.435 443 P HA 0.048 nan 4.420 nan 0.000 0.221 443 P C 1.499 178.773 177.300 -0.043 0.000 1.150 443 P CA 0.437 63.526 63.100 -0.018 0.000 0.800 443 P CB -0.157 31.530 31.700 -0.020 0.000 0.787 444 V N 0.527 120.431 119.914 -0.017 0.000 2.307 444 V HA -0.242 3.878 4.120 -0.001 0.000 0.245 444 V C 2.528 178.627 176.094 0.010 0.000 1.045 444 V CA 2.254 64.547 62.300 -0.011 0.000 1.024 444 V CB -1.769 30.102 31.823 0.080 0.000 0.651 444 V HN 0.101 nan 8.190 nan 0.000 0.449 445 A N 0.014 122.858 122.820 0.039 0.000 1.908 445 A HA -0.207 4.112 4.320 -0.001 0.000 0.218 445 A C 2.200 179.791 177.584 0.012 0.000 1.181 445 A CA 2.152 54.215 52.037 0.044 0.000 0.627 445 A CB -0.600 18.424 19.000 0.040 0.000 0.818 445 A HN 0.515 nan 8.150 nan 0.000 0.445 446 I N -1.106 119.459 120.570 -0.010 0.000 2.179 446 I HA -0.286 3.884 4.170 -0.001 0.000 0.242 446 I C 2.801 178.886 176.117 -0.053 0.000 1.088 446 I CA 1.858 63.148 61.300 -0.016 0.000 1.357 446 I CB -0.357 37.637 38.000 -0.010 0.000 1.051 446 I HN 0.455 nan 8.210 nan 0.000 0.409 447 Q N 1.187 120.906 119.800 -0.136 0.000 2.061 447 Q HA -0.209 4.131 4.340 -0.001 0.000 0.204 447 Q C 2.220 178.045 176.000 -0.291 0.000 0.984 447 Q CA 2.367 57.978 55.803 -0.320 0.000 0.846 447 Q CB -0.276 28.181 28.738 -0.469 0.000 0.902 447 Q HN 0.491 nan 8.270 nan 0.000 0.421 448 A N -0.052 122.669 122.820 -0.165 0.000 1.883 448 A HA -0.143 4.177 4.320 -0.001 0.000 0.217 448 A C 2.303 179.915 177.584 0.047 0.000 1.186 448 A CA 1.860 53.879 52.037 -0.030 0.000 0.624 448 A CB -1.578 17.485 19.000 0.104 0.000 0.822 448 A HN 0.596 nan 8.150 nan 0.000 0.444 449 G N -0.832 107.994 108.800 0.044 0.000 2.421 449 G HA2 -0.214 3.746 3.960 -0.001 0.000 0.216 449 G HA3 -0.214 3.746 3.960 -0.001 0.000 0.216 449 G C 1.788 176.747 174.900 0.098 0.000 1.171 449 G CA 0.905 46.044 45.100 0.065 0.000 0.775 449 G HN 0.568 nan 8.290 nan 0.000 0.543 450 R N -0.880 119.688 120.500 0.114 0.000 2.075 450 R HA -0.004 4.336 4.340 -0.001 0.000 0.232 450 R C 2.382 178.850 176.300 0.280 0.000 1.126 450 R CA 1.263 57.477 56.100 0.190 0.000 0.963 450 R CB -0.501 29.918 30.300 0.197 0.000 0.858 450 R HN 0.524 nan 8.270 nan 0.000 0.435 451 Y N 0.351 120.655 120.300 0.008 0.000 2.200 451 Y HA -0.234 4.315 4.550 -0.001 0.000 0.290 451 Y C 2.378 178.258 175.900 -0.033 0.000 1.137 451 Y CA 0.304 58.396 58.100 -0.014 0.000 1.163 451 Y CB -0.054 38.385 38.460 -0.035 0.000 0.988 451 Y HN 0.072 nan 8.280 nan 0.000 0.518 452 L N 0.548 121.845 121.223 0.124 0.000 1.994 452 L HA -0.194 4.146 4.340 -0.001 0.000 0.208 452 L C 2.434 179.256 176.870 -0.080 0.000 1.071 452 L CA 2.080 56.905 54.840 -0.025 0.000 0.745 452 L CB -1.112 40.918 42.059 -0.049 0.000 0.892 452 L HN 0.116 nan 8.230 nan 0.000 0.431 453 A N -0.426 122.419 122.820 0.042 0.000 1.940 453 A HA -0.242 4.078 4.320 -0.001 0.000 0.219 453 A C 2.425 180.075 177.584 0.110 0.000 1.176 453 A CA 1.967 54.099 52.037 0.158 0.000 0.631 453 A CB -0.587 18.577 19.000 0.273 0.000 0.814 453 A HN 0.551 nan 8.150 nan 0.000 0.446 454 R N -0.943 119.576 120.500 0.032 0.000 2.092 454 R HA -0.036 4.304 4.340 -0.001 0.000 0.231 454 R C 2.464 178.637 176.300 -0.211 0.000 1.119 454 R CA 1.305 57.317 56.100 -0.145 0.000 0.970 454 R CB -0.239 29.986 30.300 -0.125 0.000 0.864 454 R HN 0.497 nan 8.270 nan 0.000 0.440 455 R N 0.456 120.854 120.500 -0.170 0.000 2.075 455 R HA -0.044 4.296 4.340 -0.001 0.000 0.232 455 R C 2.341 178.471 176.300 -0.284 0.000 1.126 455 R CA 1.080 57.072 56.100 -0.180 0.000 0.963 455 R CB -0.332 29.891 30.300 -0.129 0.000 0.858 455 R HN 0.189 nan 8.270 nan 0.000 0.435 456 L N -0.647 120.320 121.223 -0.428 0.000 2.046 456 L HA -0.133 4.207 4.340 -0.001 0.000 0.208 456 L C 1.459 177.861 176.870 -0.781 0.000 1.077 456 L CA 1.405 55.789 54.840 -0.760 0.000 0.747 456 L CB -0.094 41.216 42.059 -1.249 0.000 0.896 456 L HN 0.134 nan 8.230 nan 0.000 0.432 457 F N -1.959 117.899 119.950 -0.153 0.000 2.728 457 F HA 0.325 4.851 4.527 -0.001 0.000 0.314 457 F C 1.393 177.023 175.800 -0.283 0.000 1.094 457 F CA 0.187 58.106 58.000 -0.135 0.000 1.217 457 F CB 0.108 39.114 39.000 0.009 0.000 1.056 457 F HN -0.123 nan 8.300 nan 0.000 0.577 458 A N -0.594 122.031 122.820 -0.324 0.000 2.635 458 A HA 0.576 4.896 4.320 -0.001 0.000 0.279 458 A C 1.635 179.057 177.584 -0.270 0.000 1.122 458 A CA 0.332 52.091 52.037 -0.463 0.000 0.965 458 A CB -0.640 17.728 19.000 -1.053 0.000 1.221 458 A HN 0.480 nan 8.150 nan 0.000 0.566 459 G N -0.501 108.169 108.800 -0.217 0.000 2.168 459 G HA2 0.041 4.001 3.960 -0.001 0.000 0.257 459 G HA3 0.041 4.001 3.960 -0.001 0.000 0.257 459 G C 0.623 175.611 174.900 0.146 0.000 0.997 459 G CA 0.557 45.594 45.100 -0.106 0.000 0.708 459 G HN 1.776 nan 8.290 nan 0.000 0.520 460 A N -0.585 122.224 122.820 -0.017 0.000 2.406 460 A HA 0.681 5.000 4.320 -0.001 0.000 0.243 460 A C 1.594 179.213 177.584 0.059 0.000 1.082 460 A CA 1.419 53.450 52.037 -0.010 0.000 0.786 460 A CB 0.353 19.265 19.000 -0.148 0.000 1.029 460 A HN 1.446 nan 8.150 nan 0.000 0.495 461 T N -1.569 113.004 114.554 0.032 0.000 2.990 461 T HA 0.172 4.521 4.350 -0.001 0.000 0.249 461 T C 0.510 175.201 174.700 -0.014 0.000 1.039 461 T CA 0.440 62.569 62.100 0.048 0.000 1.036 461 T CB -0.236 68.648 68.868 0.026 0.000 0.994 461 T HN 0.644 nan 8.240 nan 0.000 0.489 462 E N 1.743 121.886 120.200 -0.095 0.000 2.415 462 E HA 0.274 4.624 4.350 -0.001 0.000 0.260 462 E C -0.478 176.122 176.600 0.002 0.000 1.016 462 E CA -0.106 56.230 56.400 -0.107 0.000 0.924 462 E CB 0.005 29.521 29.700 -0.307 0.000 0.961 462 E HN 0.453 nan 8.360 nan 0.000 0.459 463 L N 3.438 124.713 121.223 0.087 0.000 2.421 463 L HA 0.316 4.656 4.340 -0.001 0.000 0.263 463 L C 0.523 177.518 176.870 0.208 0.000 1.122 463 L CA -0.859 54.069 54.840 0.147 0.000 0.804 463 L CB 1.265 43.389 42.059 0.109 0.000 1.150 463 L HN 0.482 nan 8.230 nan 0.000 0.457 464 T N 0.528 115.132 114.554 0.084 0.000 2.834 464 T HA 0.014 4.363 4.350 -0.001 0.000 0.298 464 T C -0.160 174.325 174.700 -0.358 0.000 0.966 464 T CA -0.153 61.787 62.100 -0.266 0.000 1.141 464 T CB 0.311 68.832 68.868 -0.578 0.000 0.905 464 T HN 0.381 nan 8.240 nan 0.000 0.535 465 D N 2.186 122.411 120.400 -0.291 0.000 2.339 465 D HA 0.115 4.755 4.640 -0.001 0.000 0.241 465 D C -0.130 176.019 176.300 -0.251 0.000 1.183 465 D CA -0.368 53.531 54.000 -0.169 0.000 0.859 465 D CB 0.430 41.190 40.800 -0.067 0.000 1.067 465 D HN 0.536 nan 8.370 nan 0.000 0.484 466 Y N 1.198 121.493 120.300 -0.008 0.000 2.461 466 Y HA 0.064 4.614 4.550 -0.001 0.000 0.277 466 Y C 1.320 177.211 175.900 -0.015 0.000 1.182 466 Y CA -0.321 57.769 58.100 -0.017 0.000 1.276 466 Y CB 0.129 38.582 38.460 -0.010 0.000 1.087 466 Y HN 0.226 nan 8.280 nan 0.000 0.519 467 S N -0.398 115.361 115.700 0.098 0.000 2.585 467 S HA 0.234 4.703 4.470 -0.001 0.000 0.277 467 S C 0.184 174.801 174.600 0.028 0.000 1.241 467 S CA -0.671 57.567 58.200 0.064 0.000 1.041 467 S CB 0.530 63.765 63.200 0.058 0.000 0.987 467 S HN 0.549 nan 8.310 nan 0.000 0.512 468 N N -0.448 118.264 118.700 0.021 0.000 2.727 468 N HA -0.128 4.612 4.740 -0.001 0.000 0.249 468 N C -0.872 174.630 175.510 -0.014 0.000 1.048 468 N CA 0.474 53.525 53.050 0.001 0.000 0.714 468 N CB -1.411 37.079 38.487 0.004 0.000 0.959 468 N HN 0.494 nan 8.380 nan 0.000 0.544 469 V N 0.623 120.531 119.914 -0.011 0.000 2.455 469 V HA 0.456 4.575 4.120 -0.001 0.000 0.273 469 V C 1.075 177.145 176.094 -0.040 0.000 1.045 469 V CA -0.247 62.039 62.300 -0.023 0.000 0.976 469 V CB 0.970 32.790 31.823 -0.004 0.000 0.993 469 V HN 0.405 nan 8.190 nan 0.000 0.475 470 A N 4.999 127.790 122.820 -0.049 0.000 2.386 470 A HA 0.689 5.009 4.320 -0.001 0.000 0.248 470 A C 0.569 178.108 177.584 -0.075 0.000 1.082 470 A CA 0.186 52.181 52.037 -0.069 0.000 0.789 470 A CB 0.376 19.339 19.000 -0.062 0.000 1.025 470 A HN 1.005 nan 8.150 nan 0.000 0.490 471 T N -1.733 112.753 114.554 -0.112 0.000 2.883 471 T HA 0.783 5.132 4.350 -0.001 0.000 0.296 471 T C -0.585 173.973 174.700 -0.237 0.000 1.117 471 T CA -0.603 61.418 62.100 -0.131 0.000 1.006 471 T CB 1.829 70.651 68.868 -0.076 0.000 1.191 471 T HN 0.613 nan 8.240 nan 0.000 0.508 472 T N 1.236 115.603 114.554 -0.312 0.000 2.991 472 T HA 0.515 4.865 4.350 -0.001 0.000 0.303 472 T C -0.792 173.498 174.700 -0.685 0.000 1.015 472 T CA -0.586 61.174 62.100 -0.567 0.000 1.007 472 T CB 1.550 69.988 68.868 -0.718 0.000 1.034 472 T HN 0.692 nan 8.240 nan 0.000 0.446 473 V N 4.110 123.669 119.914 -0.592 0.000 2.364 473 V HA 0.349 4.468 4.120 -0.001 0.000 0.272 473 V C -0.302 175.550 176.094 -0.403 0.000 1.036 473 V CA -0.470 61.598 62.300 -0.385 0.000 0.880 473 V CB 0.280 31.948 31.823 -0.257 0.000 0.991 473 V HN 0.876 nan 8.190 nan 0.000 0.460 474 F N 3.242 123.124 119.950 -0.114 0.000 2.871 474 F HA 0.185 4.711 4.527 -0.001 0.000 0.317 474 F C 1.582 177.181 175.800 -0.335 0.000 1.193 474 F CA -0.524 57.280 58.000 -0.327 0.000 1.311 474 F CB -0.447 38.271 39.000 -0.471 0.000 1.380 474 F HN 0.551 nan 8.300 nan 0.000 0.557 475 T N -2.385 112.179 114.554 0.017 0.000 2.766 475 T HA 0.089 4.439 4.350 -0.001 0.000 0.295 475 T C -1.491 173.353 174.700 0.241 0.000 1.024 475 T CA -1.461 60.718 62.100 0.132 0.000 1.018 475 T CB 0.745 69.688 68.868 0.125 0.000 1.002 475 T HN -0.033 nan 8.240 nan 0.000 0.532 476 P HA -0.042 nan 4.420 nan 0.000 0.216 476 P C 0.276 177.679 177.300 0.171 0.000 1.157 476 P CA 0.716 64.029 63.100 0.354 0.000 0.880 476 P CB -0.007 31.920 31.700 0.378 0.000 0.791 477 L N 0.049 121.210 121.223 -0.104 0.000 2.272 477 L HA 0.225 4.564 4.340 -0.001 0.000 0.289 477 L C 0.048 176.890 176.870 -0.046 0.000 1.032 477 L CA -0.568 54.102 54.840 -0.283 0.000 0.810 477 L CB 0.463 41.989 42.059 -0.889 0.000 1.205 477 L HN -0.111 nan 8.230 nan 0.000 0.422 478 E N 3.540 123.761 120.200 0.036 0.000 2.366 478 E HA 0.116 4.466 4.350 -0.001 0.000 0.266 478 E C -1.516 175.120 176.600 0.061 0.000 1.051 478 E CA -0.165 56.245 56.400 0.017 0.000 0.884 478 E CB 0.975 30.680 29.700 0.008 0.000 1.006 478 E HN 0.455 nan 8.360 nan 0.000 0.417 479 Y N 0.961 121.176 120.300 -0.143 0.000 2.338 479 Y HA 0.479 5.029 4.550 -0.001 0.000 0.328 479 Y C -0.429 175.406 175.900 -0.108 0.000 0.965 479 Y CA -1.094 56.958 58.100 -0.080 0.000 1.208 479 Y CB 1.149 39.566 38.460 -0.071 0.000 1.132 479 Y HN 0.499 nan 8.280 nan 0.000 0.469 480 G N 3.462 112.145 108.800 -0.195 0.000 2.388 480 G HA2 0.747 4.707 3.960 -0.001 0.000 0.330 480 G HA3 0.747 4.707 3.960 -0.001 0.000 0.330 480 G C -1.560 173.128 174.900 -0.354 0.000 1.142 480 G CA -0.412 44.498 45.100 -0.315 0.000 0.908 480 G HN 1.004 nan 8.290 nan 0.000 0.473 481 A N 0.126 122.713 122.820 -0.389 0.000 2.515 481 A HA 0.702 5.022 4.320 -0.001 0.000 0.298 481 A C -1.074 176.364 177.584 -0.243 0.000 1.059 481 A CA -0.597 51.242 52.037 -0.329 0.000 0.698 481 A CB 1.686 20.523 19.000 -0.272 0.000 1.289 481 A HN 1.571 nan 8.150 nan 0.000 0.404 482 C N 1.597 120.733 119.300 -0.274 0.000 2.516 482 C HA 0.819 5.279 4.460 -0.001 0.000 0.338 482 C C 0.650 175.544 174.990 -0.159 0.000 1.132 482 C CA 1.256 60.175 59.018 -0.166 0.000 1.310 482 C CB 0.104 27.776 27.740 -0.112 0.000 1.898 482 C HN 2.847 nan 8.230 nan 0.000 0.452 483 G N 4.851 113.602 108.800 -0.082 0.000 2.482 483 G HA2 -0.067 3.893 3.960 -0.001 0.000 0.214 483 G HA3 -0.067 3.893 3.960 -0.001 0.000 0.214 483 G C -0.982 173.937 174.900 0.033 0.000 1.271 483 G CA -0.317 44.770 45.100 -0.023 0.000 0.944 483 G HN 1.007 nan 8.290 nan 0.000 0.568 484 L N 1.480 122.759 121.223 0.093 0.000 2.371 484 L HA 0.493 4.832 4.340 -0.001 0.000 0.272 484 L C 1.667 178.709 176.870 0.288 0.000 1.124 484 L CA -0.006 54.925 54.840 0.150 0.000 0.816 484 L CB 1.302 43.445 42.059 0.140 0.000 1.129 484 L HN 0.983 nan 8.230 nan 0.000 0.448 485 S N 0.597 116.443 115.700 0.242 0.000 2.584 485 S HA -0.012 4.457 4.470 -0.001 0.000 0.270 485 S C 0.901 175.557 174.600 0.094 0.000 1.346 485 S CA -0.350 57.956 58.200 0.176 0.000 1.018 485 S CB 1.165 64.431 63.200 0.111 0.000 0.899 485 S HN 0.780 nan 8.310 nan 0.000 0.542 486 E N 1.175 121.371 120.200 -0.006 0.000 2.058 486 E HA -0.240 4.110 4.350 -0.001 0.000 0.194 486 E C 2.086 178.696 176.600 0.017 0.000 0.997 486 E CA 1.593 57.996 56.400 0.004 0.000 0.801 486 E CB -0.215 29.459 29.700 -0.043 0.000 0.746 486 E HN 0.868 nan 8.360 nan 0.000 0.450 487 E N 0.699 120.903 120.200 0.006 0.000 2.085 487 E HA -0.248 4.102 4.350 -0.001 0.000 0.194 487 E C 1.490 178.100 176.600 0.016 0.000 0.994 487 E CA 1.512 57.916 56.400 0.007 0.000 0.801 487 E CB -0.454 29.247 29.700 0.002 0.000 0.743 487 E HN 0.283 nan 8.360 nan 0.000 0.453 488 D N 1.610 122.027 120.400 0.027 0.000 2.144 488 D HA -0.034 4.605 4.640 -0.001 0.000 0.199 488 D C 1.997 178.314 176.300 0.029 0.000 0.984 488 D CA 1.957 55.969 54.000 0.020 0.000 0.834 488 D CB -0.357 40.460 40.800 0.029 0.000 0.955 488 D HN 0.360 nan 8.370 nan 0.000 0.465 489 A N 0.470 123.338 122.820 0.081 0.000 1.898 489 A HA -0.112 4.207 4.320 -0.001 0.000 0.216 489 A C 2.336 180.008 177.584 0.147 0.000 1.181 489 A CA 0.822 52.957 52.037 0.163 0.000 0.620 489 A CB -0.643 18.463 19.000 0.177 0.000 0.819 489 A HN 0.194 nan 8.150 nan 0.000 0.442 490 I N -0.720 119.896 120.570 0.076 0.000 2.252 490 I HA -0.246 3.924 4.170 -0.001 0.000 0.245 490 I C 2.549 178.677 176.117 0.020 0.000 1.102 490 I CA 1.759 63.090 61.300 0.052 0.000 1.385 490 I CB -0.324 37.689 38.000 0.022 0.000 1.064 490 I HN 0.529 nan 8.210 nan 0.000 0.414 491 E N 1.408 121.604 120.200 -0.008 0.000 2.085 491 E HA -0.300 4.050 4.350 -0.001 0.000 0.194 491 E C 2.209 178.755 176.600 -0.090 0.000 0.994 491 E CA 1.491 57.868 56.400 -0.038 0.000 0.801 491 E CB 0.057 29.734 29.700 -0.038 0.000 0.743 491 E HN 0.307 nan 8.360 nan 0.000 0.453 492 K N -1.144 119.159 120.400 -0.162 0.000 2.076 492 K HA -0.115 4.205 4.320 -0.001 0.000 0.204 492 K C 1.000 177.303 176.600 -0.494 0.000 1.051 492 K CA 1.238 57.282 56.287 -0.404 0.000 0.949 492 K CB 0.104 32.218 32.500 -0.643 0.000 0.726 492 K HN 0.190 nan 8.250 nan 0.000 0.443 493 Y N -0.733 119.569 120.300 0.002 0.000 2.453 493 Y HA 0.323 4.873 4.550 -0.001 0.000 0.247 493 Y C 0.358 176.257 175.900 -0.002 0.000 1.124 493 Y CA 0.102 58.203 58.100 0.001 0.000 1.243 493 Y CB 1.473 39.935 38.460 0.003 0.000 1.213 493 Y HN 0.185 nan 8.280 nan 0.000 0.523 494 G N 1.029 109.891 108.800 0.103 0.000 2.777 494 G HA2 -0.278 3.682 3.960 -0.001 0.000 0.686 494 G HA3 -0.278 3.682 3.960 -0.001 0.000 0.686 494 G C -0.054 174.880 174.900 0.058 0.000 1.177 494 G CA -0.104 45.033 45.100 0.061 0.000 0.775 494 G HN 0.268 nan 8.290 nan 0.000 0.613 495 D N 0.383 120.799 120.400 0.028 0.000 2.182 495 D HA -0.080 4.559 4.640 -0.001 0.000 0.201 495 D C 2.264 178.567 176.300 0.005 0.000 0.986 495 D CA 1.838 55.845 54.000 0.012 0.000 0.847 495 D CB 0.028 40.827 40.800 -0.002 0.000 0.942 495 D HN 0.584 nan 8.370 nan 0.000 0.467 496 K N -0.497 119.909 120.400 0.009 0.000 2.283 496 K HA -0.091 4.229 4.320 -0.001 0.000 0.202 496 K C 0.964 177.567 176.600 0.004 0.000 1.048 496 K CA 1.004 57.292 56.287 0.002 0.000 0.948 496 K CB 0.127 32.630 32.500 0.006 0.000 0.742 496 K HN 0.115 nan 8.250 nan 0.000 0.458 497 D N 0.076 120.489 120.400 0.021 0.000 2.340 497 D HA 0.050 4.689 4.640 -0.001 0.000 0.217 497 D C -0.576 175.721 176.300 -0.006 0.000 1.081 497 D CA 0.151 54.158 54.000 0.012 0.000 0.842 497 D CB 0.437 41.261 40.800 0.039 0.000 0.934 497 D HN -0.083 nan 8.370 nan 0.000 0.511 498 I N 1.381 121.950 120.570 -0.002 0.000 2.406 498 I HA 0.361 4.530 4.170 -0.001 0.000 0.290 498 I C -0.018 176.064 176.117 -0.057 0.000 0.999 498 I CA -0.826 60.465 61.300 -0.015 0.000 1.124 498 I CB 1.537 39.546 38.000 0.016 0.000 1.289 498 I HN -0.149 nan 8.210 nan 0.000 0.441 499 E N 5.048 125.201 120.200 -0.079 0.000 2.187 499 E HA 0.594 4.943 4.350 -0.001 0.000 0.268 499 E C -1.520 174.958 176.600 -0.204 0.000 0.896 499 E CA -0.487 55.806 56.400 -0.177 0.000 0.766 499 E CB 1.879 31.456 29.700 -0.206 0.000 1.142 499 E HN 0.317 nan 8.360 nan 0.000 0.408 500 V N 5.448 125.186 119.914 -0.293 0.000 2.378 500 V HA 0.341 4.461 4.120 -0.001 0.000 0.288 500 V C -0.978 174.908 176.094 -0.346 0.000 1.016 500 V CA -0.733 61.428 62.300 -0.232 0.000 0.840 500 V CB 0.452 32.159 31.823 -0.193 0.000 0.994 500 V HN 0.634 nan 8.190 nan 0.000 0.431 501 Y N 4.652 124.909 120.300 -0.071 0.000 2.323 501 Y HA 0.649 5.199 4.550 -0.001 0.000 0.331 501 Y C 0.666 176.580 175.900 0.023 0.000 1.092 501 Y CA -0.294 57.791 58.100 -0.025 0.000 1.150 501 Y CB 1.078 39.518 38.460 -0.035 0.000 1.200 501 Y HN 0.850 nan 8.280 nan 0.000 0.472 502 H N -1.125 117.936 119.070 -0.015 0.000 3.008 502 H HA 0.839 5.395 4.556 -0.001 0.000 0.354 502 H C -1.511 173.716 175.328 -0.167 0.000 1.252 502 H CA -1.208 54.742 56.048 -0.163 0.000 1.117 502 H CB 2.202 31.874 29.762 -0.151 0.000 1.857 502 H HN 0.507 nan 8.280 nan 0.000 0.547 503 S N 0.662 116.171 115.700 -0.319 0.000 2.542 503 S HA 0.255 4.725 4.470 -0.001 0.000 0.276 503 S C -1.546 172.979 174.600 -0.125 0.000 1.148 503 S CA -0.864 57.193 58.200 -0.239 0.000 0.886 503 S CB 1.264 64.382 63.200 -0.137 0.000 1.109 503 S HN 0.819 nan 8.310 nan 0.000 0.458 504 N N 1.543 120.248 118.700 0.008 0.000 2.467 504 N HA 0.695 5.434 4.740 -0.001 0.000 0.262 504 N C -0.550 175.048 175.510 0.147 0.000 1.234 504 N CA 0.027 53.130 53.050 0.088 0.000 0.952 504 N CB 0.464 38.982 38.487 0.052 0.000 1.158 504 N HN 0.510 nan 8.380 nan 0.000 0.463 505 F N -1.966 117.947 119.950 -0.061 0.000 2.685 505 F HA 0.604 5.131 4.527 -0.001 0.000 0.315 505 F C -1.131 174.620 175.800 -0.083 0.000 1.126 505 F CA -1.229 56.723 58.000 -0.081 0.000 0.950 505 F CB 1.476 40.397 39.000 -0.131 0.000 1.360 505 F HN 0.143 nan 8.300 nan 0.000 0.469 506 K N 1.933 122.373 120.400 0.066 0.000 2.541 506 K HA 0.542 4.862 4.320 -0.001 0.000 0.250 506 K C -3.063 173.532 176.600 -0.008 0.000 0.950 506 K CA -1.928 54.322 56.287 -0.063 0.000 0.805 506 K CB 1.964 34.502 32.500 0.063 0.000 1.166 506 K HN 0.417 nan 8.250 nan 0.000 0.430 507 P HA -0.061 nan 4.420 nan 0.000 0.265 507 P C 0.594 177.900 177.300 0.011 0.000 1.193 507 P CA -0.369 62.628 63.100 -0.172 0.000 0.765 507 P CB 0.549 31.901 31.700 -0.579 0.000 0.823 508 L N 3.887 125.143 121.223 0.057 0.000 2.081 508 L HA -0.234 4.106 4.340 -0.001 0.000 0.212 508 L C 1.701 178.689 176.870 0.196 0.000 1.080 508 L CA 2.052 56.955 54.840 0.104 0.000 0.754 508 L CB -1.036 41.058 42.059 0.058 0.000 0.893 508 L HN 0.310 nan 8.230 nan 0.000 0.433 509 E N -1.498 118.838 120.200 0.227 0.000 2.209 509 E HA -0.237 4.113 4.350 -0.001 0.000 0.196 509 E C 1.718 178.651 176.600 0.556 0.000 0.993 509 E CA 1.424 58.056 56.400 0.387 0.000 0.819 509 E CB -0.381 29.496 29.700 0.296 0.000 0.745 509 E HN 0.573 nan 8.360 nan 0.000 0.477 510 W N 0.632 122.017 121.300 0.142 0.000 2.905 510 W HA 0.041 4.701 4.660 -0.001 0.000 0.251 510 W C 2.112 178.640 176.519 0.014 0.000 1.305 510 W CA 1.237 58.639 57.345 0.094 0.000 1.465 510 W CB -0.956 28.548 29.460 0.073 0.000 1.122 510 W HN 0.173 nan 8.180 nan 0.000 0.659 511 T N -2.795 111.882 114.554 0.204 0.000 2.639 511 T HA -0.160 4.189 4.350 -0.001 0.000 0.261 511 T C 1.870 176.437 174.700 -0.221 0.000 1.053 511 T CA 1.690 63.806 62.100 0.028 0.000 1.158 511 T CB -0.985 67.907 68.868 0.039 0.000 0.863 511 T HN -0.116 nan 8.240 nan 0.000 0.413 512 V N 2.437 122.188 119.914 -0.271 0.000 2.490 512 V HA -0.015 4.105 4.120 -0.001 0.000 0.250 512 V C 3.165 178.829 176.094 -0.717 0.000 1.061 512 V CA 1.532 63.475 62.300 -0.595 0.000 1.064 512 V CB -1.379 29.916 31.823 -0.881 0.000 0.670 512 V HN 0.733 nan 8.190 nan 0.000 0.461 513 A N -1.881 120.744 122.820 -0.325 0.000 2.209 513 A HA -0.101 4.219 4.320 -0.001 0.000 0.212 513 A C 0.961 178.339 177.584 -0.344 0.000 1.158 513 A CA 0.496 52.433 52.037 -0.166 0.000 0.742 513 A CB -0.486 18.623 19.000 0.182 0.000 0.790 513 A HN 0.744 nan 8.150 nan 0.000 0.472 514 H N -0.975 117.960 119.070 -0.225 0.000 2.826 514 H HA -0.132 4.424 4.556 -0.001 0.000 0.306 514 H C 0.331 175.573 175.328 -0.143 0.000 1.235 514 H CA 1.222 57.153 56.048 -0.195 0.000 1.150 514 H CB -1.498 28.081 29.762 -0.305 0.000 1.409 514 H HN 0.669 nan 8.280 nan 0.000 0.420 515 R N 0.362 120.826 120.500 -0.059 0.000 2.527 515 R HA 0.331 4.670 4.340 -0.001 0.000 0.243 515 R C 0.427 176.753 176.300 0.044 0.000 1.206 515 R CA -0.891 55.101 56.100 -0.180 0.000 1.134 515 R CB 0.772 30.598 30.300 -0.790 0.000 1.347 515 R HN 0.119 nan 8.270 nan 0.000 0.580 516 E N 1.387 121.631 120.200 0.073 0.000 2.384 516 E HA 0.012 4.362 4.350 -0.001 0.000 0.266 516 E C -0.833 175.947 176.600 0.300 0.000 1.012 516 E CA 0.284 56.808 56.400 0.208 0.000 0.901 516 E CB 0.341 30.188 29.700 0.245 0.000 0.967 516 E HN 0.195 nan 8.360 nan 0.000 0.435 517 D N 2.585 123.090 120.400 0.174 0.000 2.344 517 D HA 0.062 4.701 4.640 -0.001 0.000 0.244 517 D C 0.181 176.540 176.300 0.098 0.000 1.134 517 D CA -0.135 53.942 54.000 0.128 0.000 0.930 517 D CB 0.454 41.305 40.800 0.085 0.000 1.175 517 D HN 0.359 nan 8.370 nan 0.000 0.437 518 N N 0.035 118.766 118.700 0.051 0.000 2.721 518 N HA -0.159 4.581 4.740 -0.001 0.000 0.249 518 N C 0.505 176.030 175.510 0.025 0.000 1.072 518 N CA 0.306 53.370 53.050 0.024 0.000 0.710 518 N CB -1.119 37.383 38.487 0.024 0.000 0.993 518 N HN 0.188 nan 8.380 nan 0.000 0.547 519 V N -0.971 118.964 119.914 0.035 0.000 2.854 519 V HA 0.073 4.193 4.120 -0.001 0.000 0.236 519 V C 1.367 177.428 176.094 -0.055 0.000 1.157 519 V CA 0.594 62.935 62.300 0.069 0.000 1.187 519 V CB 0.416 32.395 31.823 0.259 0.000 0.949 519 V HN 0.435 nan 8.190 nan 0.000 0.488 520 C N 1.437 120.568 119.300 -0.282 0.000 2.634 520 C HA 0.290 4.749 4.460 -0.001 0.000 0.417 520 C C -0.092 174.593 174.990 -0.508 0.000 1.334 520 C CA 0.202 58.804 59.018 -0.693 0.000 1.829 520 C CB -1.312 25.444 27.740 -1.641 0.000 2.665 520 C HN 0.539 nan 8.230 nan 0.000 0.614 521 Y N 3.558 123.660 120.300 -0.331 0.000 2.519 521 Y HA 0.678 5.228 4.550 -0.001 0.000 0.336 521 Y C -0.603 175.419 175.900 0.202 0.000 1.089 521 Y CA -1.152 56.943 58.100 -0.007 0.000 1.025 521 Y CB 1.064 39.505 38.460 -0.033 0.000 1.318 521 Y HN 0.800 nan 8.280 nan 0.000 0.452 522 M N 4.639 123.982 119.600 -0.428 0.000 2.531 522 M HA 0.733 5.213 4.480 -0.001 0.000 0.286 522 M C -2.159 173.823 176.300 -0.531 0.000 1.232 522 M CA -0.867 54.195 55.300 -0.397 0.000 0.877 522 M CB 3.116 35.322 32.600 -0.657 0.000 1.726 522 M HN 0.589 nan 8.290 nan 0.000 0.463 523 K N 1.945 122.277 120.400 -0.114 0.000 2.532 523 K HA 0.790 5.110 4.320 -0.001 0.000 0.265 523 K C -2.069 174.652 176.600 0.201 0.000 0.948 523 K CA -0.932 55.366 56.287 0.017 0.000 0.842 523 K CB 2.449 34.965 32.500 0.027 0.000 1.392 523 K HN 0.866 nan 8.250 nan 0.000 0.436 524 L N 2.367 123.670 121.223 0.133 0.000 2.325 524 L HA 0.412 4.752 4.340 -0.001 0.000 0.281 524 L C -0.803 176.119 176.870 0.086 0.000 1.004 524 L CA -1.375 53.496 54.840 0.051 0.000 0.823 524 L CB 2.026 44.006 42.059 -0.131 0.000 1.236 524 L HN 0.431 nan 8.230 nan 0.000 0.415 525 V N 2.571 122.538 119.914 0.090 0.000 2.385 525 V HA 0.288 4.408 4.120 -0.001 0.000 0.269 525 V C -0.003 176.114 176.094 0.038 0.000 1.043 525 V CA -0.268 62.076 62.300 0.072 0.000 0.906 525 V CB 1.047 32.941 31.823 0.119 0.000 0.995 525 V HN 0.823 nan 8.190 nan 0.000 0.467 526 C N 4.817 124.136 119.300 0.031 0.000 2.614 526 C HA 0.608 5.068 4.460 -0.001 0.000 0.320 526 C C 0.297 175.273 174.990 -0.024 0.000 1.200 526 C CA -1.090 57.938 59.018 0.015 0.000 1.700 526 C CB 1.816 29.610 27.740 0.090 0.000 2.275 526 C HN 0.892 nan 8.230 nan 0.000 0.492 527 R N 1.438 121.895 120.500 -0.072 0.000 2.215 527 R HA 0.228 4.567 4.340 -0.001 0.000 0.336 527 R C 0.884 177.134 176.300 -0.082 0.000 0.996 527 R CA -0.275 55.743 56.100 -0.136 0.000 0.847 527 R CB 0.517 30.632 30.300 -0.308 0.000 1.127 527 R HN 0.769 nan 8.270 nan 0.000 0.465 528 K N 0.747 121.115 120.400 -0.054 0.000 2.032 528 K HA -0.160 4.160 4.320 -0.001 0.000 0.209 528 K C 1.756 178.338 176.600 -0.029 0.000 1.048 528 K CA 2.123 58.395 56.287 -0.024 0.000 0.927 528 K CB 0.014 32.503 32.500 -0.018 0.000 0.712 528 K HN 0.608 nan 8.250 nan 0.000 0.441 529 S N 0.597 116.270 115.700 -0.046 0.000 2.515 529 S HA -0.117 4.353 4.470 -0.001 0.000 0.231 529 S C 0.873 175.447 174.600 -0.045 0.000 0.987 529 S CA 1.066 59.244 58.200 -0.037 0.000 0.936 529 S CB 0.052 63.233 63.200 -0.031 0.000 0.766 529 S HN 0.140 nan 8.310 nan 0.000 0.528 530 D N 1.723 122.082 120.400 -0.069 0.000 3.123 530 D HA 0.305 4.945 4.640 -0.001 0.000 0.305 530 D C -0.418 175.859 176.300 -0.039 0.000 1.373 530 D CA -0.479 53.483 54.000 -0.063 0.000 0.889 530 D CB -1.617 39.119 40.800 -0.107 0.000 1.070 530 D HN 0.397 nan 8.370 nan 0.000 0.494 531 N N 1.120 119.809 118.700 -0.020 0.000 2.708 531 N HA -0.283 4.457 4.740 -0.001 0.000 0.249 531 N C -0.002 175.509 175.510 0.002 0.000 1.097 531 N CA 0.442 53.490 53.050 -0.004 0.000 0.710 531 N CB -0.650 37.836 38.487 -0.001 0.000 1.032 531 N HN 0.277 nan 8.380 nan 0.000 0.551 532 M N -1.048 118.553 119.600 0.002 0.000 2.360 532 M HA -0.199 4.281 4.480 -0.001 0.000 0.202 532 M C 0.146 176.444 176.300 -0.002 0.000 0.390 532 M CA 0.804 56.115 55.300 0.019 0.000 0.470 532 M CB -0.780 31.856 32.600 0.060 0.000 1.637 532 M HN 0.320 nan 8.290 nan 0.000 0.885 533 R N -0.197 120.287 120.500 -0.027 0.000 2.537 533 R HA 0.312 4.652 4.340 -0.001 0.000 0.281 533 R C -0.650 175.628 176.300 -0.036 0.000 0.988 533 R CA 0.286 56.368 56.100 -0.030 0.000 1.077 533 R CB 0.447 30.714 30.300 -0.055 0.000 0.932 533 R HN 0.253 nan 8.270 nan 0.000 0.409 534 V N 8.068 127.964 119.914 -0.030 0.000 2.415 534 V HA 0.011 4.131 4.120 -0.001 0.000 0.267 534 V C 1.267 177.343 176.094 -0.029 0.000 1.042 534 V CA 0.191 62.452 62.300 -0.064 0.000 1.000 534 V CB 0.620 32.368 31.823 -0.125 0.000 1.015 534 V HN 0.761 nan 8.190 nan 0.000 0.478 535 L N 4.185 125.398 121.223 -0.016 0.000 2.298 535 L HA 0.427 4.766 4.340 -0.001 0.000 0.209 535 L C 1.126 178.020 176.870 0.040 0.000 1.084 535 L CA 0.720 55.575 54.840 0.024 0.000 0.816 535 L CB 0.065 42.156 42.059 0.054 0.000 0.967 535 L HN 0.747 nan 8.230 nan 0.000 0.460 536 G N 0.336 109.157 108.800 0.036 0.000 2.753 536 G HA2 0.547 4.507 3.960 -0.001 0.000 0.297 536 G HA3 0.547 4.507 3.960 -0.001 0.000 0.297 536 G C -2.053 172.815 174.900 -0.053 0.000 1.430 536 G CA -0.312 44.805 45.100 0.028 0.000 1.040 536 G HN -0.096 nan 8.290 nan 0.000 0.530 537 L N 1.346 122.399 121.223 -0.284 0.000 2.365 537 L HA 0.883 5.223 4.340 -0.001 0.000 0.273 537 L C -1.160 175.447 176.870 -0.439 0.000 1.000 537 L CA -0.923 53.755 54.840 -0.270 0.000 0.819 537 L CB 1.799 43.627 42.059 -0.386 0.000 1.284 537 L HN 0.689 nan 8.230 nan 0.000 0.418 538 H N 3.046 122.246 119.070 0.216 0.000 2.856 538 H HA 0.653 5.209 4.556 -0.001 0.000 0.355 538 H C -1.360 174.212 175.328 0.408 0.000 1.079 538 H CA -0.502 55.756 56.048 0.351 0.000 1.240 538 H CB 2.347 32.336 29.762 0.379 0.000 1.701 538 H HN 0.394 nan 8.280 nan 0.000 0.527 539 V N 4.426 124.655 119.914 0.525 0.000 2.668 539 V HA 0.427 4.546 4.120 -0.001 0.000 0.304 539 V C -1.686 174.669 176.094 0.435 0.000 1.071 539 V CA -0.753 61.804 62.300 0.428 0.000 0.894 539 V CB 1.634 33.699 31.823 0.403 0.000 1.008 539 V HN 0.615 nan 8.190 nan 0.000 0.425 540 L N 7.463 128.896 121.223 0.349 0.000 2.280 540 L HA 1.047 5.387 4.340 -0.001 0.000 0.287 540 L C 0.148 177.082 176.870 0.106 0.000 1.023 540 L CA 1.203 56.169 54.840 0.211 0.000 0.819 540 L CB 0.925 43.051 42.059 0.111 0.000 1.212 540 L HN 1.039 nan 8.230 nan 0.000 0.420 541 G N 4.058 112.906 108.800 0.080 0.000 2.322 541 G HA2 0.332 4.291 3.960 -0.001 0.000 0.295 541 G HA3 0.332 4.291 3.960 -0.001 0.000 0.295 541 G C -3.410 171.519 174.900 0.048 0.000 1.369 541 G CA -0.831 44.272 45.100 0.004 0.000 0.821 541 G HN 0.365 nan 8.290 nan 0.000 0.536 542 P HA 0.234 nan 4.420 nan 0.000 0.271 542 P C -0.129 177.242 177.300 0.119 0.000 1.218 542 P CA -0.099 63.061 63.100 0.100 0.000 0.780 542 P CB 0.354 32.108 31.700 0.090 0.000 0.901 543 N N 0.173 118.966 118.700 0.155 0.000 2.721 543 N HA -0.240 4.499 4.740 -0.001 0.000 0.249 543 N C 0.922 176.506 175.510 0.122 0.000 1.072 543 N CA 1.014 54.154 53.050 0.150 0.000 0.710 543 N CB -1.522 37.032 38.487 0.113 0.000 0.993 543 N HN 0.543 nan 8.380 nan 0.000 0.547 544 A N -0.046 122.831 122.820 0.096 0.000 1.972 544 A HA 0.028 4.347 4.320 -0.001 0.000 0.219 544 A C 2.293 179.890 177.584 0.023 0.000 1.169 544 A CA 2.074 54.151 52.037 0.065 0.000 0.635 544 A CB -0.645 18.370 19.000 0.026 0.000 0.810 544 A HN 0.520 nan 8.150 nan 0.000 0.446 545 G N -0.370 108.426 108.800 -0.008 0.000 2.402 545 G HA2 -0.160 3.799 3.960 -0.001 0.000 0.216 545 G HA3 -0.160 3.799 3.960 -0.001 0.000 0.216 545 G C 1.354 176.291 174.900 0.063 0.000 1.162 545 G CA 0.905 46.014 45.100 0.015 0.000 0.777 545 G HN 0.501 nan 8.290 nan 0.000 0.539 546 E N 0.665 120.918 120.200 0.088 0.000 2.072 546 E HA -0.065 4.285 4.350 -0.001 0.000 0.191 546 E C 2.583 179.215 176.600 0.054 0.000 0.985 546 E CA 0.474 56.910 56.400 0.062 0.000 0.801 546 E CB -0.272 29.465 29.700 0.063 0.000 0.750 546 E HN 0.523 nan 8.360 nan 0.000 0.452 547 I N 1.125 121.753 120.570 0.097 0.000 2.179 547 I HA -0.251 3.919 4.170 -0.001 0.000 0.242 547 I C 2.349 178.600 176.117 0.224 0.000 1.088 547 I CA 1.492 62.895 61.300 0.172 0.000 1.357 547 I CB -0.476 37.661 38.000 0.228 0.000 1.051 547 I HN 0.058 nan 8.210 nan 0.000 0.409 548 T N -0.418 114.233 114.554 0.162 0.000 2.777 548 T HA -0.223 4.127 4.350 -0.001 0.000 0.266 548 T C 1.753 176.506 174.700 0.090 0.000 1.040 548 T CA 1.351 63.538 62.100 0.145 0.000 1.141 548 T CB -0.238 68.644 68.868 0.023 0.000 0.868 548 T HN 0.263 nan 8.240 nan 0.000 0.444 549 Q N 1.399 121.210 119.800 0.019 0.000 2.045 549 Q HA -0.095 4.245 4.340 -0.001 0.000 0.206 549 Q C 2.433 178.393 176.000 -0.067 0.000 0.991 549 Q CA 2.351 58.141 55.803 -0.022 0.000 0.851 549 Q CB -1.111 27.613 28.738 -0.023 0.000 0.911 549 Q HN 0.491 nan 8.270 nan 0.000 0.418 550 G N -1.205 107.505 108.800 -0.152 0.000 2.442 550 G HA2 -0.275 3.684 3.960 -0.001 0.000 0.219 550 G HA3 -0.275 3.684 3.960 -0.001 0.000 0.219 550 G C 0.929 175.666 174.900 -0.272 0.000 1.141 550 G CA 1.047 45.993 45.100 -0.256 0.000 0.763 550 G HN 0.484 nan 8.290 nan 0.000 0.554 551 Y N 1.228 121.445 120.300 -0.139 0.000 2.333 551 Y HA 0.086 4.636 4.550 -0.001 0.000 0.290 551 Y C 3.012 178.850 175.900 -0.103 0.000 1.144 551 Y CA 0.413 58.418 58.100 -0.157 0.000 1.228 551 Y CB -0.398 37.946 38.460 -0.193 0.000 0.985 551 Y HN 0.268 nan 8.280 nan 0.000 0.542 552 A N -0.443 122.400 122.820 0.038 0.000 1.972 552 A HA -0.115 4.205 4.320 -0.001 0.000 0.219 552 A C 2.351 179.928 177.584 -0.012 0.000 1.169 552 A CA 1.723 53.762 52.037 0.003 0.000 0.635 552 A CB -1.023 17.966 19.000 -0.020 0.000 0.810 552 A HN 0.260 nan 8.150 nan 0.000 0.446 553 V N -0.254 119.638 119.914 -0.037 0.000 2.307 553 V HA -0.208 3.911 4.120 -0.001 0.000 0.245 553 V C 3.040 179.114 176.094 -0.034 0.000 1.045 553 V CA 1.812 64.086 62.300 -0.044 0.000 1.024 553 V CB -1.268 30.514 31.823 -0.068 0.000 0.651 553 V HN 0.589 nan 8.190 nan 0.000 0.449 554 A N 0.029 122.825 122.820 -0.040 0.000 1.902 554 A HA -0.177 4.142 4.320 -0.001 0.000 0.217 554 A C 2.191 179.795 177.584 0.034 0.000 1.181 554 A CA 1.963 53.985 52.037 -0.025 0.000 0.623 554 A CB -0.567 18.389 19.000 -0.073 0.000 0.818 554 A HN 0.510 nan 8.150 nan 0.000 0.443 555 I N -0.705 119.901 120.570 0.060 0.000 2.252 555 I HA -0.238 3.932 4.170 -0.001 0.000 0.245 555 I C 2.477 178.611 176.117 0.028 0.000 1.102 555 I CA 1.763 63.099 61.300 0.059 0.000 1.385 555 I CB -0.187 37.840 38.000 0.045 0.000 1.064 555 I HN 0.277 nan 8.210 nan 0.000 0.414 556 K N 1.518 121.926 120.400 0.012 0.000 2.113 556 K HA -0.145 4.174 4.320 -0.001 0.000 0.208 556 K C 1.878 178.482 176.600 0.006 0.000 1.047 556 K CA 1.827 58.117 56.287 0.005 0.000 0.928 556 K CB -0.219 32.278 32.500 -0.006 0.000 0.716 556 K HN 0.233 nan 8.250 nan 0.000 0.446 557 M N -0.985 118.618 119.600 0.004 0.000 2.618 557 M HA 0.151 4.631 4.480 -0.001 0.000 0.240 557 M C 0.590 176.896 176.300 0.010 0.000 1.123 557 M CA 0.787 56.088 55.300 0.001 0.000 1.060 557 M CB 0.466 33.060 32.600 -0.010 0.000 1.535 557 M HN 0.401 nan 8.290 nan 0.000 0.507 558 G N 1.306 110.119 108.800 0.021 0.000 2.207 558 G HA2 -0.103 3.856 3.960 -0.001 0.000 0.216 558 G HA3 -0.103 3.856 3.960 -0.001 0.000 0.216 558 G C 0.038 174.963 174.900 0.041 0.000 1.053 558 G CA -0.167 44.949 45.100 0.025 0.000 0.764 558 G HN 0.696 nan 8.290 nan 0.000 0.495 559 A N 0.272 123.135 122.820 0.072 0.000 2.565 559 A HA 0.624 4.944 4.320 -0.001 0.000 0.237 559 A C 1.158 178.817 177.584 0.125 0.000 1.053 559 A CA 1.485 53.599 52.037 0.129 0.000 0.755 559 A CB 0.188 19.341 19.000 0.254 0.000 0.980 559 A HN 2.025 nan 8.150 nan 0.000 0.506 560 T N -0.459 114.169 114.554 0.123 0.000 2.948 560 T HA 0.477 4.827 4.350 -0.001 0.000 0.285 560 T C 0.970 175.738 174.700 0.113 0.000 1.019 560 T CA -0.440 61.706 62.100 0.077 0.000 1.013 560 T CB 1.247 70.140 68.868 0.042 0.000 1.117 560 T HN 0.505 nan 8.240 nan 0.000 0.533 561 K N 0.999 121.397 120.400 -0.003 0.000 2.113 561 K HA -0.041 4.279 4.320 -0.001 0.000 0.208 561 K C 2.330 178.940 176.600 0.017 0.000 1.047 561 K CA 2.045 58.281 56.287 -0.085 0.000 0.928 561 K CB -1.237 31.130 32.500 -0.222 0.000 0.716 561 K HN 0.758 nan 8.250 nan 0.000 0.446 562 A N 0.963 123.798 122.820 0.026 0.000 1.940 562 A HA -0.195 4.125 4.320 -0.001 0.000 0.219 562 A C 1.770 179.392 177.584 0.063 0.000 1.176 562 A CA 2.067 54.123 52.037 0.032 0.000 0.631 562 A CB -0.656 18.357 19.000 0.020 0.000 0.814 562 A HN 0.456 nan 8.150 nan 0.000 0.446 563 D N -0.925 119.534 120.400 0.099 0.000 2.144 563 D HA -0.121 4.519 4.640 -0.001 0.000 0.199 563 D C 1.637 177.970 176.300 0.056 0.000 0.984 563 D CA 1.088 55.127 54.000 0.066 0.000 0.834 563 D CB -0.387 40.447 40.800 0.057 0.000 0.955 563 D HN 0.554 nan 8.370 nan 0.000 0.465 564 F N 1.556 121.493 119.950 -0.022 0.000 2.146 564 F HA -0.146 4.381 4.527 -0.001 0.000 0.298 564 F C 2.241 178.035 175.800 -0.010 0.000 1.096 564 F CA 0.874 58.872 58.000 -0.003 0.000 1.275 564 F CB -0.009 38.972 39.000 -0.031 0.000 1.008 564 F HN -0.174 nan 8.300 nan 0.000 0.480 565 D N -0.077 120.412 120.400 0.149 0.000 2.117 565 D HA -0.134 4.505 4.640 -0.001 0.000 0.197 565 D C 2.258 178.578 176.300 0.032 0.000 0.987 565 D CA 1.151 55.187 54.000 0.060 0.000 0.829 565 D CB -0.410 40.398 40.800 0.014 0.000 0.961 565 D HN 0.241 nan 8.370 nan 0.000 0.460 566 R N 0.100 120.613 120.500 0.022 0.000 2.115 566 R HA 0.020 4.359 4.340 -0.001 0.000 0.230 566 R C 0.646 176.939 176.300 -0.011 0.000 1.111 566 R CA 0.627 56.727 56.100 0.001 0.000 0.976 566 R CB -0.350 29.948 30.300 -0.005 0.000 0.870 566 R HN 0.070 nan 8.270 nan 0.000 0.445 567 T N 2.269 116.811 114.554 -0.020 0.000 2.901 567 T HA 0.163 4.513 4.350 -0.001 0.000 0.301 567 T C 0.370 175.061 174.700 -0.016 0.000 1.012 567 T CA -0.037 62.038 62.100 -0.040 0.000 1.135 567 T CB 0.929 69.743 68.868 -0.089 0.000 0.936 567 T HN -0.049 nan 8.240 nan 0.000 0.539 568 I N 2.696 123.254 120.570 -0.020 0.000 2.472 568 I HA 0.318 4.487 4.170 -0.001 0.000 0.290 568 I C 1.323 177.441 176.117 0.002 0.000 1.016 568 I CA -0.558 60.738 61.300 -0.007 0.000 1.348 568 I CB 0.596 38.588 38.000 -0.012 0.000 1.417 568 I HN 0.679 nan 8.210 nan 0.000 0.521 569 G N 5.997 114.808 108.800 0.018 0.000 2.569 569 G HA2 0.456 4.415 3.960 -0.001 0.000 0.249 569 G HA3 0.456 4.415 3.960 -0.001 0.000 0.249 569 G C -0.186 174.737 174.900 0.038 0.000 1.216 569 G CA -0.523 44.599 45.100 0.037 0.000 0.845 569 G HN 0.533 nan 8.290 nan 0.000 0.568 570 I N 0.593 121.189 120.570 0.045 0.000 2.331 570 I HA 0.240 4.409 4.170 -0.001 0.000 0.292 570 I C -0.210 175.968 176.117 0.102 0.000 0.998 570 I CA -0.628 60.702 61.300 0.051 0.000 1.267 570 I CB 1.520 39.529 38.000 0.015 0.000 1.386 570 I HN 0.519 nan 8.210 nan 0.000 0.476 571 H N 7.173 126.241 119.070 -0.003 0.000 2.572 571 H HA 0.591 5.147 4.556 -0.001 0.000 0.359 571 H C -2.529 172.804 175.328 0.007 0.000 1.134 571 H CA -1.801 54.248 56.048 0.002 0.000 1.187 571 H CB 1.699 31.463 29.762 0.004 0.000 1.597 571 H HN 0.314 nan 8.280 nan 0.000 0.524 572 P HA 0.298 nan 4.420 nan 0.000 0.297 572 P C -1.260 175.933 177.300 -0.179 0.000 1.331 572 P CA -0.629 62.111 63.100 -0.601 0.000 0.803 572 P CB 1.371 32.667 31.700 -0.674 0.000 0.929 573 T N -1.400 113.114 114.554 -0.067 0.000 2.883 573 T HA 0.274 4.623 4.350 -0.001 0.000 0.296 573 T C 0.761 175.431 174.700 -0.050 0.000 1.117 573 T CA -0.519 61.559 62.100 -0.038 0.000 1.006 573 T CB 0.777 69.637 68.868 -0.013 0.000 1.191 573 T HN 0.284 nan 8.240 nan 0.000 0.508 574 C N 0.507 119.763 119.300 -0.074 0.000 2.457 574 C HA 0.063 4.523 4.460 -0.001 0.000 0.278 574 C C 3.112 177.904 174.990 -0.331 0.000 1.309 574 C CA 1.126 60.010 59.018 -0.223 0.000 1.735 574 C CB -1.138 26.542 27.740 -0.099 0.000 1.992 574 C HN 1.024 nan 8.230 nan 0.000 0.493 575 S N 1.091 116.738 115.700 -0.088 0.000 2.382 575 S HA -0.206 4.264 4.470 -0.001 0.000 0.228 575 S C 1.938 176.614 174.600 0.126 0.000 1.027 575 S CA 1.961 60.220 58.200 0.098 0.000 0.991 575 S CB -0.433 62.883 63.200 0.193 0.000 0.823 575 S HN 0.851 nan 8.310 nan 0.000 0.469 576 E N -0.112 120.113 120.200 0.041 0.000 2.273 576 E HA -0.152 4.197 4.350 -0.001 0.000 0.198 576 E C 1.576 178.187 176.600 0.018 0.000 1.002 576 E CA 1.645 58.083 56.400 0.064 0.000 0.828 576 E CB -0.848 28.889 29.700 0.063 0.000 0.747 576 E HN 0.416 nan 8.360 nan 0.000 0.491 577 T N 0.561 115.029 114.554 -0.142 0.000 2.803 577 T HA -0.128 4.221 4.350 -0.001 0.000 0.269 577 T C 1.072 175.663 174.700 -0.181 0.000 1.052 577 T CA 1.170 63.131 62.100 -0.232 0.000 1.136 577 T CB -0.348 68.220 68.868 -0.500 0.000 0.864 577 T HN 0.191 nan 8.240 nan 0.000 0.467 578 F N 1.911 121.819 119.950 -0.070 0.000 2.333 578 F HA -0.074 4.453 4.527 -0.001 0.000 0.300 578 F C 2.755 178.646 175.800 0.151 0.000 1.083 578 F CA 1.150 59.149 58.000 -0.001 0.000 1.395 578 F CB -0.895 38.072 39.000 -0.054 0.000 1.056 578 F HN 0.257 nan 8.300 nan 0.000 0.529 579 T N -4.544 110.179 114.554 0.281 0.000 3.088 579 T HA -0.019 4.331 4.350 -0.001 0.000 0.259 579 T C 1.282 176.055 174.700 0.121 0.000 1.122 579 T CA 1.125 63.349 62.100 0.208 0.000 1.095 579 T CB -0.547 68.398 68.868 0.129 0.000 0.930 579 T HN 0.240 nan 8.240 nan 0.000 0.508 580 T N -0.315 114.293 114.554 0.090 0.000 3.337 580 T HA 0.478 4.828 4.350 -0.001 0.000 0.299 580 T C 0.153 174.927 174.700 0.123 0.000 0.998 580 T CA -0.678 61.462 62.100 0.067 0.000 0.948 580 T CB -0.597 68.293 68.868 0.036 0.000 1.170 580 T HN 0.303 nan 8.240 nan 0.000 0.508 581 L N 3.215 124.491 121.223 0.087 0.000 2.456 581 L HA 0.364 4.704 4.340 -0.001 0.000 0.272 581 L C 1.762 178.737 176.870 0.175 0.000 1.189 581 L CA -0.162 54.737 54.840 0.098 0.000 0.846 581 L CB 0.390 42.459 42.059 0.018 0.000 1.111 581 L HN 0.537 nan 8.230 nan 0.000 0.475 582 H N 0.311 119.456 119.070 0.125 0.000 3.710 582 H HA 0.153 4.709 4.556 -0.001 0.000 0.245 582 H C 0.065 175.559 175.328 0.277 0.000 1.011 582 H CA -0.150 56.014 56.048 0.194 0.000 1.098 582 H CB -0.047 29.772 29.762 0.095 0.000 1.406 582 H HN 0.282 nan 8.280 nan 0.000 0.657 583 V N 4.753 124.495 119.914 -0.287 0.000 2.479 583 V HA 0.200 4.319 4.120 -0.001 0.000 0.281 583 V C 0.934 177.073 176.094 0.075 0.000 1.031 583 V CA 0.600 62.830 62.300 -0.117 0.000 1.038 583 V CB 0.774 32.483 31.823 -0.190 0.000 0.981 583 V HN 0.652 nan 8.190 nan 0.000 0.478 584 T N 1.942 116.474 114.554 -0.037 0.000 2.928 584 T HA 0.388 4.738 4.350 -0.001 0.000 0.284 584 T C 0.868 175.475 174.700 -0.155 0.000 1.008 584 T CA -0.834 61.130 62.100 -0.226 0.000 1.057 584 T CB 1.593 70.259 68.868 -0.337 0.000 1.018 584 T HN 0.556 nan 8.240 nan 0.000 0.493 585 K N 0.780 120.989 120.400 -0.319 0.000 2.097 585 K HA -0.064 4.255 4.320 -0.001 0.000 0.206 585 K C 2.223 178.742 176.600 -0.136 0.000 1.049 585 K CA 1.199 57.314 56.287 -0.287 0.000 0.933 585 K CB -0.099 32.182 32.500 -0.364 0.000 0.717 585 K HN 0.589 nan 8.250 nan 0.000 0.442 586 K N 0.664 120.980 120.400 -0.141 0.000 2.209 586 K HA -0.104 4.216 4.320 -0.001 0.000 0.204 586 K C 2.186 178.752 176.600 -0.056 0.000 1.048 586 K CA 1.567 57.800 56.287 -0.091 0.000 0.940 586 K CB -0.033 32.409 32.500 -0.097 0.000 0.729 586 K HN 0.161 nan 8.250 nan 0.000 0.451 587 S N -0.535 115.134 115.700 -0.051 0.000 2.453 587 S HA -0.026 4.444 4.470 -0.001 0.000 0.231 587 S C 1.660 176.261 174.600 0.001 0.000 1.005 587 S CA 0.841 59.030 58.200 -0.017 0.000 0.949 587 S CB -0.195 63.002 63.200 -0.005 0.000 0.774 587 S HN 0.448 nan 8.310 nan 0.000 0.510 588 G N 0.408 109.211 108.800 0.005 0.000 2.189 588 G HA2 -0.271 3.689 3.960 -0.001 0.000 0.267 588 G HA3 -0.271 3.689 3.960 -0.001 0.000 0.267 588 G C 0.166 175.089 174.900 0.039 0.000 0.975 588 G CA 0.246 45.358 45.100 0.021 0.000 0.644 588 G HN 0.742 nan 8.290 nan 0.000 0.537 589 V N 1.097 121.038 119.914 0.044 0.000 2.740 589 V HA 0.429 4.549 4.120 -0.001 0.000 0.303 589 V C 1.427 177.549 176.094 0.047 0.000 1.054 589 V CA 0.639 62.963 62.300 0.040 0.000 1.106 589 V CB 1.557 33.400 31.823 0.033 0.000 0.957 589 V HN 0.530 nan 8.190 nan 0.000 0.486 590 S N 5.931 121.642 115.700 0.019 0.000 2.549 590 S HA 0.152 4.621 4.470 -0.001 0.000 0.286 590 S C -0.944 173.614 174.600 -0.071 0.000 1.314 590 S CA -0.849 57.347 58.200 -0.006 0.000 1.062 590 S CB 0.741 63.939 63.200 -0.003 0.000 0.865 590 S HN 0.752 nan 8.310 nan 0.000 0.498 591 P HA 0.111 nan 4.420 nan 0.000 0.245 591 P C 0.565 177.786 177.300 -0.131 0.000 1.206 591 P CA 0.025 62.940 63.100 -0.308 0.000 0.781 591 P CB -0.489 30.855 31.700 -0.595 0.000 0.994 592 I N -0.913 119.621 120.570 -0.060 0.000 2.813 592 I HA 0.198 4.368 4.170 -0.001 0.000 0.287 592 I C 0.333 176.453 176.117 0.004 0.000 1.196 592 I CA -0.687 60.605 61.300 -0.014 0.000 1.421 592 I CB 0.366 38.366 38.000 -0.001 0.000 1.365 592 I HN -0.248 nan 8.210 nan 0.000 0.591 593 V N 0.000 119.929 119.914 0.025 0.000 2.409 593 V HA 0.000 4.120 4.120 -0.001 0.000 0.244 593 V CA 0.000 62.326 62.300 0.043 0.000 1.235 593 V CB 0.000 31.860 31.823 0.061 0.000 1.184 593 V HN 0.000 nan 8.190 nan 0.000 0.556