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 3na5_1_B DATA FIRST_RESID 2 DATA SEQUENCE AIHNRAGQPA QQSDLINVAQ LTAQYYVLKP EAGNAEHAVK FGTSGHRGSA DATA SEQUENCE GRHSFNEPHI LAIAQAIAEE RAKNGITGPC YVGKDTHALS EPAFISVLEV DATA SEQUENCE LAANGVDVIV QENNGFTPTP AVSNAILVHN KKGGPLADGI VITPSHNPPE DATA SEQUENCE DGGIKYNPPN GGPADTNVTK VVEDRANALL AGGLQGVKRI SLDAAMASGH DATA SEQUENCE VKAVDLVQPF VEGLADIVDM AAIQKAGLTL GVDPLGGSGI EYWKRIAEHY DATA SEQUENCE KLNLTLVNDQ VDQTFRFMHL DKDGAIRMDC SSEXAMAGLL ALRDKFDLAF DATA SEQUENCE ANDPDYDRHG IVTPAGLMNP NHYLAVAINY LFQHRPLWGK DVAVGKTLVS DATA SEQUENCE SAMIDRVVND LGRKLVEVPV GFKWFVDGLF DGSFGFGGEE SAGASFLRFD DATA SEQUENCE GTPWSTDKDG IIMCLLAAEI TAVTGKNPQE HYNELAARFG APSYNRLQAS DATA SEQUENCE ATSAQKAALS KLSPEMVSAS TLAGDPITAR LTAAPGNGAS IGGLKVMTDN DATA SEQUENCE GWFAARPSGT EDAYKIYCES FLGEEHRKQI EKEAVEIVSE VLKNA 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 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.601 177.584 0.028 0.000 1.274 2 A CA 0.000 52.051 52.037 0.023 0.000 0.836 2 A CB 0.000 19.009 19.000 0.015 0.000 0.831 3 I N -0.463 120.134 120.570 0.044 0.000 2.400 3 I HA 0.252 4.422 4.170 -0.001 0.000 0.248 3 I C 1.129 177.286 176.117 0.066 0.000 1.109 3 I CA 1.963 63.290 61.300 0.045 0.000 1.425 3 I CB -1.204 36.823 38.000 0.045 0.000 1.094 3 I HN 0.847 nan 8.210 nan 0.000 0.425 4 H N 1.688 120.756 119.070 -0.003 0.000 2.652 4 H HA 0.280 4.835 4.556 -0.001 0.000 0.349 4 H C 1.523 176.851 175.328 0.000 0.000 1.099 4 H CA 0.170 56.217 56.048 -0.002 0.000 1.417 4 H CB 0.876 30.637 29.762 -0.002 0.000 1.457 4 H HN 0.516 nan 8.280 nan 0.000 0.568 5 N N 3.592 121.938 118.700 -0.591 0.000 2.453 5 N HA -0.118 4.621 4.740 -0.001 0.000 0.183 5 N C 0.790 176.162 175.510 -0.229 0.000 1.041 5 N CA 1.028 53.870 53.050 -0.347 0.000 0.900 5 N CB 0.047 38.346 38.487 -0.313 0.000 0.961 5 N HN 0.575 nan 8.380 nan 0.000 0.443 6 R N -0.215 120.157 120.500 -0.213 0.000 2.432 6 R HA 0.367 4.706 4.340 -0.001 0.000 0.260 6 R C -0.074 176.346 176.300 0.200 0.000 0.935 6 R CA -0.142 56.012 56.100 0.090 0.000 1.080 6 R CB 0.486 30.882 30.300 0.161 0.000 1.155 6 R HN 0.174 nan 8.270 nan 0.000 0.531 7 A N 0.603 123.557 122.820 0.222 0.000 2.584 7 A HA 0.287 4.607 4.320 -0.001 0.000 0.239 7 A C 1.309 178.955 177.584 0.103 0.000 1.043 7 A CA 1.241 53.369 52.037 0.153 0.000 0.756 7 A CB -0.305 18.768 19.000 0.121 0.000 0.963 7 A HN 0.575 nan 8.150 nan 0.000 0.511 8 G N -0.188 108.677 108.800 0.108 0.000 2.179 8 G HA2 0.108 4.068 3.960 -0.001 0.000 0.260 8 G HA3 0.108 4.068 3.960 -0.001 0.000 0.260 8 G C 0.436 175.467 174.900 0.219 0.000 0.977 8 G CA 1.137 46.311 45.100 0.123 0.000 0.641 8 G HN 2.056 nan 8.290 nan 0.000 0.533 9 Q N 0.540 120.438 119.800 0.163 0.000 2.230 9 Q HA 0.766 5.106 4.340 -0.001 0.000 0.248 9 Q C -2.316 173.689 176.000 0.008 0.000 0.915 9 Q CA -1.300 54.579 55.803 0.128 0.000 0.900 9 Q CB 0.340 29.119 28.738 0.068 0.000 1.229 9 Q HN 0.315 nan 8.270 nan 0.000 0.439 10 P HA 0.262 nan 4.420 nan 0.000 0.264 10 P C -0.500 176.710 177.300 -0.150 0.000 1.183 10 P CA 0.511 63.405 63.100 -0.343 0.000 0.763 10 P CB 0.549 32.087 31.700 -0.270 0.000 0.807 11 A N 3.842 126.573 122.820 -0.147 0.000 2.547 11 A HA 0.026 4.345 4.320 -0.001 0.000 0.233 11 A C 0.310 177.856 177.584 -0.064 0.000 1.067 11 A CA 0.467 52.451 52.037 -0.088 0.000 0.763 11 A CB -0.307 18.632 19.000 -0.102 0.000 1.007 11 A HN 0.575 nan 8.150 nan 0.000 0.506 12 Q N -0.538 119.239 119.800 -0.037 0.000 2.297 12 Q HA 0.291 4.631 4.340 -0.001 0.000 0.269 12 Q C 0.571 176.560 176.000 -0.018 0.000 1.051 12 Q CA -0.918 54.872 55.803 -0.023 0.000 0.869 12 Q CB 1.260 29.993 28.738 -0.009 0.000 1.346 12 Q HN 0.824 nan 8.270 nan 0.000 0.457 13 Q N 0.659 120.452 119.800 -0.011 0.000 2.135 13 Q HA -0.189 4.150 4.340 -0.001 0.000 0.204 13 Q C 1.698 177.696 176.000 -0.005 0.000 0.981 13 Q CA 2.544 58.343 55.803 -0.007 0.000 0.856 13 Q CB -0.192 28.545 28.738 -0.001 0.000 0.902 13 Q HN 0.739 nan 8.270 nan 0.000 0.425 14 S N -0.575 115.123 115.700 -0.002 0.000 2.469 14 S HA -0.125 4.345 4.470 -0.001 0.000 0.238 14 S C 1.110 175.707 174.600 -0.004 0.000 0.998 14 S CA 1.173 59.373 58.200 0.000 0.000 0.957 14 S CB -0.211 62.992 63.200 0.005 0.000 0.764 14 S HN 0.384 nan 8.310 nan 0.000 0.514 15 D N 1.210 121.603 120.400 -0.012 0.000 2.347 15 D HA 0.215 4.855 4.640 -0.001 0.000 0.213 15 D C 0.486 176.772 176.300 -0.022 0.000 0.985 15 D CA 0.293 54.280 54.000 -0.022 0.000 0.879 15 D CB 0.026 40.805 40.800 -0.034 0.000 0.919 15 D HN 0.455 nan 8.370 nan 0.000 0.526 16 L N 1.305 122.520 121.223 -0.014 0.000 2.360 16 L HA 0.403 4.742 4.340 -0.001 0.000 0.271 16 L C 0.770 177.642 176.870 0.003 0.000 1.057 16 L CA -1.064 53.772 54.840 -0.007 0.000 0.803 16 L CB 1.427 43.482 42.059 -0.006 0.000 1.207 16 L HN -0.137 nan 8.230 nan 0.000 0.445 17 I N -1.232 119.346 120.570 0.013 0.000 2.834 17 I HA 0.314 4.484 4.170 -0.001 0.000 0.305 17 I C 0.123 176.255 176.117 0.025 0.000 1.008 17 I CA -0.483 60.830 61.300 0.021 0.000 1.273 17 I CB 0.795 38.814 38.000 0.032 0.000 1.432 17 I HN 0.520 nan 8.210 nan 0.000 0.557 18 N N 3.463 122.180 118.700 0.028 0.000 2.469 18 N HA 0.168 4.908 4.740 -0.001 0.000 0.239 18 N C 0.566 176.102 175.510 0.042 0.000 1.053 18 N CA -0.214 52.855 53.050 0.032 0.000 0.937 18 N CB 1.414 39.919 38.487 0.030 0.000 1.163 18 N HN 0.667 nan 8.380 nan 0.000 0.509 19 V N 3.722 123.663 119.914 0.044 0.000 2.295 19 V HA -0.225 3.895 4.120 -0.001 0.000 0.246 19 V C 2.334 178.467 176.094 0.066 0.000 1.049 19 V CA 2.312 64.645 62.300 0.055 0.000 1.024 19 V CB -0.862 30.990 31.823 0.047 0.000 0.648 19 V HN 0.749 nan 8.190 nan 0.000 0.447 20 A N -1.010 121.845 122.820 0.058 0.000 1.930 20 A HA -0.284 4.035 4.320 -0.001 0.000 0.217 20 A C 2.259 179.890 177.584 0.078 0.000 1.175 20 A CA 2.003 54.080 52.037 0.067 0.000 0.627 20 A CB -0.534 18.497 19.000 0.051 0.000 0.815 20 A HN 0.597 nan 8.150 nan 0.000 0.443 21 Q N -0.881 118.958 119.800 0.065 0.000 2.050 21 Q HA -0.192 4.148 4.340 -0.001 0.000 0.202 21 Q C 2.028 178.077 176.000 0.080 0.000 0.980 21 Q CA 1.764 57.607 55.803 0.066 0.000 0.840 21 Q CB -0.239 28.528 28.738 0.049 0.000 0.898 21 Q HN 0.539 nan 8.270 nan 0.000 0.424 22 L N 0.527 121.796 121.223 0.076 0.000 2.046 22 L HA -0.149 4.190 4.340 -0.001 0.000 0.208 22 L C 2.143 179.090 176.870 0.129 0.000 1.077 22 L CA 2.158 57.049 54.840 0.085 0.000 0.747 22 L CB -0.803 41.301 42.059 0.076 0.000 0.896 22 L HN 0.184 nan 8.230 nan 0.000 0.432 23 T N -0.199 114.438 114.554 0.138 0.000 2.746 23 T HA -0.132 4.218 4.350 -0.001 0.000 0.267 23 T C 1.939 176.815 174.700 0.294 0.000 1.039 23 T CA 1.219 63.430 62.100 0.184 0.000 1.142 23 T CB -0.547 68.416 68.868 0.158 0.000 0.866 23 T HN 0.525 nan 8.240 nan 0.000 0.444 24 A N 1.617 124.581 122.820 0.239 0.000 1.883 24 A HA -0.231 4.089 4.320 -0.001 0.000 0.217 24 A C 2.278 180.021 177.584 0.266 0.000 1.186 24 A CA 1.769 53.965 52.037 0.266 0.000 0.624 24 A CB -0.782 18.308 19.000 0.150 0.000 0.822 24 A HN 0.555 nan 8.150 nan 0.000 0.444 25 Q N -2.108 117.794 119.800 0.170 0.000 2.181 25 Q HA -0.245 4.094 4.340 -0.001 0.000 0.205 25 Q C 1.909 177.968 176.000 0.099 0.000 0.980 25 Q CA 1.798 57.660 55.803 0.097 0.000 0.862 25 Q CB -0.416 28.342 28.738 0.034 0.000 0.905 25 Q HN 0.862 nan 8.270 nan 0.000 0.429 26 Y N -0.270 120.019 120.300 -0.017 0.000 2.193 26 Y HA -0.336 4.214 4.550 -0.001 0.000 0.285 26 Y C 1.333 177.065 175.900 -0.280 0.000 1.166 26 Y CA 1.795 59.794 58.100 -0.169 0.000 1.181 26 Y CB -0.071 38.212 38.460 -0.296 0.000 0.976 26 Y HN 0.126 nan 8.280 nan 0.000 0.520 27 Y N -1.759 118.666 120.300 0.208 0.000 2.436 27 Y HA 0.003 4.552 4.550 -0.001 0.000 0.288 27 Y C 2.332 178.248 175.900 0.027 0.000 1.112 27 Y CA 1.126 59.290 58.100 0.106 0.000 1.220 27 Y CB -0.241 38.312 38.460 0.156 0.000 1.073 27 Y HN 0.088 nan 8.280 nan 0.000 0.552 28 V N -2.533 117.485 119.914 0.173 0.000 3.660 28 V HA 0.289 4.409 4.120 -0.001 0.000 0.276 28 V C 0.216 176.345 176.094 0.059 0.000 1.317 28 V CA 0.061 62.426 62.300 0.108 0.000 1.097 28 V CB -0.465 31.422 31.823 0.106 0.000 0.863 28 V HN 0.045 nan 8.190 nan 0.000 0.438 29 L N 1.399 122.636 121.223 0.023 0.000 2.330 29 L HA 0.905 5.245 4.340 -0.001 0.000 0.271 29 L C 0.051 176.926 176.870 0.009 0.000 1.013 29 L CA -0.145 54.709 54.840 0.023 0.000 0.816 29 L CB 1.644 43.640 42.059 -0.106 0.000 1.287 29 L HN 0.223 nan 8.230 nan 0.000 0.435 30 K N 1.867 122.325 120.400 0.096 0.000 2.477 30 K HA 0.752 5.072 4.320 -0.001 0.000 0.255 30 K C -2.931 173.710 176.600 0.068 0.000 0.952 30 K CA -1.616 54.676 56.287 0.008 0.000 0.826 30 K CB 1.208 33.688 32.500 -0.032 0.000 1.331 30 K HN 0.407 nan 8.250 nan 0.000 0.437 31 P HA 0.048 nan 4.420 nan 0.000 0.266 31 P C -0.632 176.765 177.300 0.161 0.000 1.195 31 P CA 0.031 63.179 63.100 0.079 0.000 0.768 31 P CB 0.573 32.274 31.700 0.000 0.000 0.838 32 E N 1.929 122.391 120.200 0.436 0.000 2.290 32 E HA 0.317 4.666 4.350 -0.001 0.000 0.277 32 E C -0.136 176.490 176.600 0.043 0.000 1.035 32 E CA -0.730 55.759 56.400 0.148 0.000 0.873 32 E CB 0.424 30.161 29.700 0.061 0.000 1.029 32 E HN 0.475 nan 8.360 nan 0.000 0.419 33 A N 3.656 126.479 122.820 0.003 0.000 2.561 33 A HA 0.322 4.642 4.320 -0.001 0.000 0.251 33 A C 1.234 178.799 177.584 -0.032 0.000 1.062 33 A CA 0.816 52.843 52.037 -0.017 0.000 0.761 33 A CB -0.572 18.415 19.000 -0.021 0.000 0.986 33 A HN 1.046 nan 8.150 nan 0.000 0.510 34 G N 1.900 110.680 108.800 -0.035 0.000 2.195 34 G HA2 -0.245 3.714 3.960 -0.001 0.000 0.246 34 G HA3 -0.245 3.714 3.960 -0.001 0.000 0.246 34 G C 0.296 175.154 174.900 -0.070 0.000 0.984 34 G CA 0.249 45.323 45.100 -0.044 0.000 0.633 34 G HN 1.020 nan 8.290 nan 0.000 0.525 35 N N 1.171 119.806 118.700 -0.108 0.000 2.437 35 N HA 0.597 5.336 4.740 -0.001 0.000 0.243 35 N C 1.425 176.843 175.510 -0.153 0.000 1.041 35 N CA 0.631 53.554 53.050 -0.212 0.000 0.940 35 N CB 1.001 39.191 38.487 -0.494 0.000 1.133 35 N HN 0.479 nan 8.380 nan 0.000 0.506 36 A N 3.405 126.171 122.820 -0.090 0.000 2.019 36 A HA -0.131 4.188 4.320 -0.001 0.000 0.219 36 A C 1.894 179.486 177.584 0.013 0.000 1.164 36 A CA 2.041 54.066 52.037 -0.021 0.000 0.644 36 A CB -0.717 18.277 19.000 -0.010 0.000 0.805 36 A HN 0.745 nan 8.150 nan 0.000 0.449 37 E N -0.555 119.619 120.200 -0.042 0.000 2.268 37 E HA -0.189 4.160 4.350 -0.001 0.000 0.195 37 E C 1.484 178.236 176.600 0.253 0.000 0.995 37 E CA 1.311 57.748 56.400 0.062 0.000 0.836 37 E CB -1.132 28.589 29.700 0.035 0.000 0.763 37 E HN 0.970 nan 8.360 nan 0.000 0.491 38 H N -1.150 117.994 119.070 0.123 0.000 2.551 38 H HA 0.573 5.129 4.556 -0.001 0.000 0.271 38 H C 1.208 176.700 175.328 0.273 0.000 0.984 38 H CA -0.398 55.775 56.048 0.209 0.000 1.164 38 H CB 0.813 30.681 29.762 0.176 0.000 1.437 38 H HN 0.516 nan 8.280 nan 0.000 0.550 39 A N 1.321 124.311 122.820 0.284 0.000 2.346 39 A HA 0.278 4.597 4.320 -0.001 0.000 0.252 39 A C 0.368 178.097 177.584 0.243 0.000 1.089 39 A CA -0.431 51.731 52.037 0.208 0.000 0.797 39 A CB 0.398 19.469 19.000 0.117 0.000 1.047 39 A HN 0.089 nan 8.150 nan 0.000 0.494 40 V N 1.435 121.432 119.914 0.138 0.000 2.585 40 V HA 0.111 4.231 4.120 -0.001 0.000 0.296 40 V C 0.342 176.580 176.094 0.240 0.000 1.035 40 V CA 0.664 62.994 62.300 0.049 0.000 1.084 40 V CB 0.379 32.150 31.823 -0.086 0.000 0.953 40 V HN 0.771 nan 8.190 nan 0.000 0.483 41 K N 5.633 126.335 120.400 0.503 0.000 2.579 41 K HA 0.371 4.690 4.320 -0.001 0.000 0.225 41 K C -1.111 175.719 176.600 0.382 0.000 0.992 41 K CA -0.249 56.241 56.287 0.339 0.000 1.018 41 K CB 1.187 33.816 32.500 0.214 0.000 1.249 41 K HN 0.555 nan 8.250 nan 0.000 0.489 42 F N 2.338 122.377 119.950 0.149 0.000 2.307 42 F HA 0.457 4.984 4.527 -0.001 0.000 0.369 42 F C 0.349 176.196 175.800 0.079 0.000 1.076 42 F CA -0.327 57.750 58.000 0.128 0.000 1.149 42 F CB 0.586 39.642 39.000 0.093 0.000 1.410 42 F HN 0.517 nan 8.300 nan 0.000 0.481 43 G N 1.477 110.158 108.800 -0.198 0.000 3.135 43 G HA2 0.196 4.156 3.960 -0.001 0.000 0.159 43 G HA3 0.196 4.156 3.960 -0.001 0.000 0.159 43 G C 0.817 175.568 174.900 -0.249 0.000 1.244 43 G CA 0.178 45.187 45.100 -0.151 0.000 0.965 43 G HN 0.423 nan 8.290 nan 0.000 0.599 44 T N -2.068 112.397 114.554 -0.148 0.000 2.833 44 T HA -0.060 4.290 4.350 -0.001 0.000 0.269 44 T C 1.774 176.381 174.700 -0.156 0.000 1.054 44 T CA 2.051 64.070 62.100 -0.136 0.000 1.135 44 T CB -0.145 68.674 68.868 -0.081 0.000 0.869 44 T HN 0.168 nan 8.240 nan 0.000 0.466 45 S N 0.602 116.202 115.700 -0.167 0.000 2.574 45 S HA 0.577 5.047 4.470 -0.001 0.000 0.242 45 S C 1.157 175.626 174.600 -0.218 0.000 0.982 45 S CA -0.150 57.956 58.200 -0.156 0.000 0.977 45 S CB -0.214 62.916 63.200 -0.116 0.000 0.814 45 S HN 1.105 nan 8.310 nan 0.000 0.464 46 G N 1.736 110.280 108.800 -0.427 0.000 2.562 46 G HA2 -0.268 3.691 3.960 -0.001 0.000 0.250 46 G HA3 -0.268 3.691 3.960 -0.001 0.000 0.250 46 G C -0.486 174.264 174.900 -0.249 0.000 1.269 46 G CA -0.121 44.564 45.100 -0.691 0.000 0.919 46 G HN 0.631 nan 8.290 nan 0.000 0.574 47 H N 0.944 120.050 119.070 0.059 0.000 2.459 47 H HA 0.796 5.351 4.556 -0.001 0.000 0.332 47 H C 0.491 175.934 175.328 0.191 0.000 1.094 47 H CA -0.569 55.602 56.048 0.205 0.000 1.224 47 H CB 0.762 30.746 29.762 0.369 0.000 1.449 47 H HN 0.665 nan 8.280 nan 0.000 0.484 48 R N 3.197 123.400 120.500 -0.495 0.000 2.807 48 R HA 0.702 5.041 4.340 -0.001 0.000 0.276 48 R C -0.751 175.269 176.300 -0.466 0.000 0.979 48 R CA -0.565 55.317 56.100 -0.364 0.000 0.928 48 R CB 2.375 32.507 30.300 -0.280 0.000 1.191 48 R HN 0.890 nan 8.270 nan 0.000 0.471 49 G N -0.244 108.399 108.800 -0.262 0.000 2.335 49 G HA2 0.313 4.272 3.960 -0.001 0.000 0.291 49 G HA3 0.313 4.272 3.960 -0.001 0.000 0.291 49 G C -1.676 173.163 174.900 -0.101 0.000 1.261 49 G CA -0.368 44.653 45.100 -0.132 0.000 0.871 49 G HN 0.454 nan 8.290 nan 0.000 0.491 50 S N -1.515 114.190 115.700 0.009 0.000 2.536 50 S HA 0.627 5.097 4.470 -0.001 0.000 0.271 50 S C 1.125 175.771 174.600 0.076 0.000 1.134 50 S CA 0.818 59.028 58.200 0.016 0.000 0.897 50 S CB 1.411 64.591 63.200 -0.033 0.000 1.094 50 S HN 2.023 nan 8.310 nan 0.000 0.473 51 A N 3.496 126.394 122.820 0.131 0.000 1.940 51 A HA 0.086 4.406 4.320 -0.001 0.000 0.219 51 A C 1.949 179.478 177.584 -0.091 0.000 1.176 51 A CA 2.092 54.176 52.037 0.078 0.000 0.631 51 A CB -1.298 17.802 19.000 0.165 0.000 0.814 51 A HN 1.221 nan 8.150 nan 0.000 0.446 52 G N -1.336 107.423 108.800 -0.069 0.000 2.598 52 G HA2 -0.044 3.916 3.960 -0.001 0.000 0.215 52 G HA3 -0.044 3.916 3.960 -0.001 0.000 0.215 52 G C 1.419 176.220 174.900 -0.166 0.000 1.131 52 G CA 0.349 45.371 45.100 -0.130 0.000 0.785 52 G HN 0.551 nan 8.290 nan 0.000 0.539 53 R N -0.514 119.924 120.500 -0.103 0.000 2.468 53 R HA 0.164 4.504 4.340 -0.001 0.000 0.280 53 R C 0.110 176.420 176.300 0.017 0.000 0.963 53 R CA -0.374 55.742 56.100 0.026 0.000 1.083 53 R CB 0.039 30.375 30.300 0.059 0.000 1.200 53 R HN 0.447 nan 8.270 nan 0.000 0.541 54 H N -0.498 118.480 119.070 -0.154 0.000 2.899 54 H HA -0.125 4.431 4.556 -0.001 0.000 0.282 54 H C 0.247 175.485 175.328 -0.150 0.000 1.198 54 H CA 1.218 57.081 56.048 -0.309 0.000 1.140 54 H CB -1.679 27.559 29.762 -0.873 0.000 1.317 54 H HN 0.371 nan 8.280 nan 0.000 0.375 55 S N -1.060 114.653 115.700 0.022 0.000 2.730 55 S HA 0.364 4.833 4.470 -0.001 0.000 0.244 55 S C -0.180 174.315 174.600 -0.176 0.000 1.022 55 S CA -0.451 57.709 58.200 -0.067 0.000 1.014 55 S CB 0.467 63.708 63.200 0.067 0.000 0.963 55 S HN 0.276 nan 8.310 nan 0.000 0.540 56 F N 1.979 121.779 119.950 -0.250 0.000 3.282 56 F HA 0.486 5.012 4.527 -0.001 0.000 0.398 56 F C -1.214 174.603 175.800 0.028 0.000 1.205 56 F CA -0.372 57.566 58.000 -0.104 0.000 1.273 56 F CB 0.306 39.316 39.000 0.016 0.000 2.153 56 F HN 0.044 nan 8.300 nan 0.000 0.680 57 N N 1.589 120.251 118.700 -0.062 0.000 2.697 57 N HA 0.257 4.997 4.740 -0.001 0.000 0.272 57 N C 0.612 175.496 175.510 -1.043 0.000 1.381 57 N CA -0.857 51.875 53.050 -0.530 0.000 0.797 57 N CB 1.163 39.523 38.487 -0.213 0.000 1.523 57 N HN 0.443 nan 8.380 nan 0.000 0.518 58 E N 0.238 119.512 120.200 -1.543 0.000 2.114 58 E HA -0.155 4.194 4.350 -0.001 0.000 0.199 58 E C -0.995 175.316 176.600 -0.482 0.000 1.008 58 E CA 1.759 57.546 56.400 -1.022 0.000 0.810 58 E CB -0.521 28.836 29.700 -0.573 0.000 0.739 58 E HN 0.404 nan 8.360 nan 0.000 0.456 59 P HA -0.114 nan 4.420 nan 0.000 0.217 59 P C 0.417 177.492 177.300 -0.375 0.000 1.150 59 P CA 1.464 64.349 63.100 -0.358 0.000 0.832 59 P CB -0.068 31.406 31.700 -0.377 0.000 0.787 60 H N -1.010 117.856 119.070 -0.340 0.000 2.319 60 H HA -0.092 4.464 4.556 -0.001 0.000 0.299 60 H C 1.800 176.915 175.328 -0.355 0.000 1.092 60 H CA 1.120 56.948 56.048 -0.366 0.000 1.302 60 H CB -0.711 28.781 29.762 -0.450 0.000 1.373 60 H HN 0.044 nan 8.280 nan 0.000 0.497 61 I N 0.348 120.782 120.570 -0.228 0.000 2.353 61 I HA -0.158 4.012 4.170 -0.001 0.000 0.248 61 I C 2.211 178.252 176.117 -0.126 0.000 1.119 61 I CA 0.929 62.126 61.300 -0.172 0.000 1.417 61 I CB -1.048 36.889 38.000 -0.106 0.000 1.078 61 I HN 0.267 nan 8.210 nan 0.000 0.421 62 L N 0.973 122.116 121.223 -0.133 0.000 2.012 62 L HA -0.212 4.127 4.340 -0.001 0.000 0.210 62 L C 2.862 179.649 176.870 -0.138 0.000 1.073 62 L CA 1.615 56.387 54.840 -0.114 0.000 0.748 62 L CB -0.751 41.242 42.059 -0.110 0.000 0.891 62 L HN 0.201 nan 8.230 nan 0.000 0.431 63 A N 0.281 123.001 122.820 -0.167 0.000 1.877 63 A HA -0.179 4.141 4.320 -0.001 0.000 0.216 63 A C 2.211 179.673 177.584 -0.203 0.000 1.186 63 A CA 1.582 53.514 52.037 -0.176 0.000 0.620 63 A CB -0.696 18.192 19.000 -0.187 0.000 0.822 63 A HN 0.338 nan 8.150 nan 0.000 0.443 64 I N -0.177 120.256 120.570 -0.229 0.000 2.163 64 I HA -0.310 3.860 4.170 -0.001 0.000 0.243 64 I C 2.973 178.932 176.117 -0.263 0.000 1.085 64 I CA 1.176 62.294 61.300 -0.305 0.000 1.347 64 I CB -0.332 37.495 38.000 -0.288 0.000 1.044 64 I HN 0.368 nan 8.210 nan 0.000 0.408 65 A N 0.014 122.729 122.820 -0.174 0.000 1.902 65 A HA -0.283 4.037 4.320 -0.001 0.000 0.217 65 A C 2.227 179.715 177.584 -0.160 0.000 1.181 65 A CA 1.907 53.859 52.037 -0.141 0.000 0.623 65 A CB -0.617 18.326 19.000 -0.095 0.000 0.818 65 A HN 0.421 nan 8.150 nan 0.000 0.443 66 Q N 0.107 119.814 119.800 -0.155 0.000 2.061 66 Q HA -0.082 4.258 4.340 -0.001 0.000 0.204 66 Q C 2.060 177.958 176.000 -0.170 0.000 0.984 66 Q CA 2.460 58.176 55.803 -0.146 0.000 0.846 66 Q CB -0.700 27.960 28.738 -0.130 0.000 0.902 66 Q HN 0.541 nan 8.270 nan 0.000 0.421 67 A N 0.093 122.790 122.820 -0.205 0.000 1.933 67 A HA -0.146 4.173 4.320 -0.001 0.000 0.218 67 A C 2.173 179.598 177.584 -0.264 0.000 1.175 67 A CA 1.593 53.493 52.037 -0.228 0.000 0.628 67 A CB -0.756 18.081 19.000 -0.271 0.000 0.814 67 A HN 0.497 nan 8.150 nan 0.000 0.444 68 I N -0.445 119.936 120.570 -0.314 0.000 2.252 68 I HA -0.239 3.930 4.170 -0.001 0.000 0.245 68 I C 2.994 178.936 176.117 -0.293 0.000 1.102 68 I CA 0.907 61.971 61.300 -0.393 0.000 1.385 68 I CB -0.415 37.336 38.000 -0.415 0.000 1.064 68 I HN 0.355 nan 8.210 nan 0.000 0.414 69 A N 0.756 123.453 122.820 -0.205 0.000 1.892 69 A HA -0.266 4.054 4.320 -0.001 0.000 0.218 69 A C 2.206 179.708 177.584 -0.136 0.000 1.188 69 A CA 2.007 53.953 52.037 -0.152 0.000 0.631 69 A CB -0.673 18.247 19.000 -0.133 0.000 0.822 69 A HN 0.460 nan 8.150 nan 0.000 0.447 70 E N -0.861 119.256 120.200 -0.139 0.000 2.031 70 E HA -0.206 4.144 4.350 -0.001 0.000 0.193 70 E C 2.149 178.683 176.600 -0.109 0.000 0.994 70 E CA 1.329 57.662 56.400 -0.113 0.000 0.800 70 E CB -0.179 29.455 29.700 -0.110 0.000 0.752 70 E HN 0.568 nan 8.360 nan 0.000 0.447 71 E N 0.584 120.699 120.200 -0.142 0.000 2.058 71 E HA -0.214 4.136 4.350 -0.001 0.000 0.194 71 E C 2.048 178.591 176.600 -0.095 0.000 0.997 71 E CA 1.537 57.861 56.400 -0.126 0.000 0.801 71 E CB -0.198 29.396 29.700 -0.176 0.000 0.746 71 E HN 0.267 nan 8.360 nan 0.000 0.450 72 R N 0.338 120.765 120.500 -0.122 0.000 2.081 72 R HA -0.005 4.335 4.340 -0.001 0.000 0.235 72 R C 2.227 178.514 176.300 -0.022 0.000 1.131 72 R CA 1.527 57.604 56.100 -0.039 0.000 0.960 72 R CB -0.552 29.737 30.300 -0.018 0.000 0.856 72 R HN 0.127 nan 8.270 nan 0.000 0.436 73 A N 1.562 124.355 122.820 -0.045 0.000 1.902 73 A HA -0.142 4.177 4.320 -0.001 0.000 0.217 73 A C 2.549 180.118 177.584 -0.025 0.000 1.181 73 A CA 2.473 54.490 52.037 -0.034 0.000 0.623 73 A CB -0.836 18.136 19.000 -0.048 0.000 0.818 73 A HN 0.561 nan 8.150 nan 0.000 0.443 74 K N 0.032 120.412 120.400 -0.033 0.000 2.147 74 K HA -0.119 4.201 4.320 -0.001 0.000 0.205 74 K C 1.392 177.985 176.600 -0.012 0.000 1.049 74 K CA 1.696 57.968 56.287 -0.025 0.000 0.936 74 K CB -0.906 31.574 32.500 -0.032 0.000 0.722 74 K HN 0.591 nan 8.250 nan 0.000 0.446 75 N N -0.337 118.359 118.700 -0.006 0.000 2.383 75 N HA 0.120 4.859 4.740 -0.001 0.000 0.192 75 N C 0.942 176.461 175.510 0.015 0.000 1.141 75 N CA 0.785 53.841 53.050 0.009 0.000 0.851 75 N CB 0.564 39.066 38.487 0.024 0.000 0.976 75 N HN 0.627 nan 8.380 nan 0.000 0.465 76 G N 1.048 109.853 108.800 0.009 0.000 2.198 76 G HA2 -0.272 3.688 3.960 -0.001 0.000 0.257 76 G HA3 -0.272 3.688 3.960 -0.001 0.000 0.257 76 G C -0.097 174.816 174.900 0.023 0.000 1.042 76 G CA -0.246 44.862 45.100 0.014 0.000 0.791 76 G HN 0.357 nan 8.290 nan 0.000 0.502 77 I N 1.511 122.096 120.570 0.026 0.000 2.297 77 I HA 0.359 4.529 4.170 -0.001 0.000 0.291 77 I C 1.449 177.580 176.117 0.023 0.000 1.033 77 I CA 0.315 61.636 61.300 0.036 0.000 1.253 77 I CB 1.318 39.353 38.000 0.058 0.000 1.396 77 I HN 0.255 nan 8.210 nan 0.000 0.476 78 T N 0.609 115.179 114.554 0.027 0.000 3.043 78 T HA 0.237 4.587 4.350 -0.001 0.000 0.272 78 T C 0.843 175.556 174.700 0.022 0.000 0.990 78 T CA -0.151 61.960 62.100 0.019 0.000 0.897 78 T CB 0.361 69.244 68.868 0.024 0.000 1.111 78 T HN 0.535 nan 8.240 nan 0.000 0.529 79 G N 2.782 111.599 108.800 0.027 0.000 2.516 79 G HA2 0.568 4.528 3.960 -0.001 0.000 0.276 79 G HA3 0.568 4.528 3.960 -0.001 0.000 0.276 79 G C -2.502 172.349 174.900 -0.082 0.000 1.390 79 G CA -1.346 43.758 45.100 0.006 0.000 1.050 79 G HN 0.279 nan 8.290 nan 0.000 0.519 80 P HA 0.248 nan 4.420 nan 0.000 0.276 80 P C -0.886 176.262 177.300 -0.254 0.000 1.252 80 P CA -0.389 62.554 63.100 -0.261 0.000 0.802 80 P CB 1.433 32.874 31.700 -0.432 0.000 1.035 81 C N 3.238 122.416 119.300 -0.203 0.000 2.281 81 C HA 0.443 4.903 4.460 -0.001 0.000 0.323 81 C C -0.420 174.484 174.990 -0.144 0.000 1.270 81 C CA -0.581 58.383 59.018 -0.090 0.000 1.559 81 C CB -1.777 25.962 27.740 -0.002 0.000 2.239 81 C HN 0.411 nan 8.230 nan 0.000 0.488 82 Y N 4.646 124.945 120.300 -0.002 0.000 2.480 82 Y HA 0.374 4.924 4.550 -0.001 0.000 0.341 82 Y C 0.580 176.520 175.900 0.067 0.000 1.031 82 Y CA 0.241 58.354 58.100 0.022 0.000 1.295 82 Y CB 0.674 39.133 38.460 -0.001 0.000 1.162 82 Y HN 0.447 nan 8.280 nan 0.000 0.523 83 V N 4.333 124.378 119.914 0.219 0.000 2.334 83 V HA 0.609 4.729 4.120 -0.001 0.000 0.281 83 V C 0.425 176.702 176.094 0.306 0.000 1.016 83 V CA -0.703 61.749 62.300 0.254 0.000 0.832 83 V CB 1.100 33.061 31.823 0.229 0.000 0.999 83 V HN 0.905 nan 8.190 nan 0.000 0.439 84 G N 4.344 113.276 108.800 0.220 0.000 2.432 84 G HA2 0.784 4.743 3.960 -0.001 0.000 0.331 84 G HA3 0.784 4.743 3.960 -0.001 0.000 0.331 84 G C -0.877 174.089 174.900 0.111 0.000 1.170 84 G CA -0.744 44.432 45.100 0.127 0.000 0.943 84 G HN 0.727 nan 8.290 nan 0.000 0.483 85 K N 0.167 120.582 120.400 0.025 0.000 2.477 85 K HA 0.565 4.885 4.320 -0.001 0.000 0.255 85 K C -1.232 175.483 176.600 0.191 0.000 0.952 85 K CA -0.892 55.441 56.287 0.078 0.000 0.826 85 K CB 2.564 35.030 32.500 -0.056 0.000 1.331 85 K HN 0.526 nan 8.250 nan 0.000 0.437 86 D N 0.355 120.878 120.400 0.205 0.000 2.507 86 D HA 0.045 4.685 4.640 -0.001 0.000 0.280 86 D C 0.612 177.005 176.300 0.156 0.000 1.219 86 D CA -0.269 53.842 54.000 0.186 0.000 1.085 86 D CB 0.552 41.456 40.800 0.172 0.000 1.134 86 D HN 0.644 nan 8.370 nan 0.000 0.583 87 T N -4.348 110.136 114.554 -0.116 0.000 3.122 87 T HA 0.125 4.475 4.350 -0.001 0.000 0.250 87 T C 0.369 175.068 174.700 -0.003 0.000 1.067 87 T CA -0.170 61.696 62.100 -0.390 0.000 0.966 87 T CB -0.919 67.575 68.868 -0.624 0.000 1.002 87 T HN 0.336 nan 8.240 nan 0.000 0.542 88 H N 0.819 119.979 119.070 0.149 0.000 2.790 88 H HA 0.542 5.098 4.556 -0.001 0.000 0.358 88 H C 1.694 177.093 175.328 0.119 0.000 1.103 88 H CA 0.499 56.653 56.048 0.177 0.000 1.426 88 H CB 0.796 30.579 29.762 0.035 0.000 1.424 88 H HN 0.226 nan 8.280 nan 0.000 0.599 89 A N 3.423 126.377 122.820 0.223 0.000 1.873 89 A HA -0.178 4.142 4.320 -0.001 0.000 0.218 89 A C 2.131 179.791 177.584 0.128 0.000 1.193 89 A CA 1.534 53.658 52.037 0.145 0.000 0.629 89 A CB -0.722 18.350 19.000 0.120 0.000 0.826 89 A HN 0.719 nan 8.150 nan 0.000 0.447 90 L N 0.156 121.446 121.223 0.112 0.000 2.465 90 L HA -0.087 4.253 4.340 -0.001 0.000 0.224 90 L C 2.438 179.405 176.870 0.161 0.000 1.145 90 L CA 0.745 55.645 54.840 0.101 0.000 0.834 90 L CB -0.283 41.825 42.059 0.082 0.000 0.944 90 L HN 0.317 nan 8.230 nan 0.000 0.451 91 S N -0.393 115.404 115.700 0.161 0.000 2.419 91 S HA -0.133 4.336 4.470 -0.001 0.000 0.233 91 S C 1.774 176.492 174.600 0.198 0.000 1.016 91 S CA 0.929 59.255 58.200 0.210 0.000 0.974 91 S CB -0.075 63.251 63.200 0.211 0.000 0.786 91 S HN 0.451 nan 8.310 nan 0.000 0.492 92 E N 1.136 121.423 120.200 0.145 0.000 2.028 92 E HA -0.063 4.287 4.350 -0.001 0.000 0.191 92 E C -0.540 176.122 176.600 0.104 0.000 0.988 92 E CA 1.127 57.608 56.400 0.135 0.000 0.799 92 E CB -1.808 27.959 29.700 0.112 0.000 0.755 92 E HN 0.433 nan 8.360 nan 0.000 0.447 93 P HA -0.077 nan 4.420 nan 0.000 0.217 93 P C 1.343 178.459 177.300 -0.307 0.000 1.150 93 P CA 1.717 64.609 63.100 -0.346 0.000 0.832 93 P CB -0.033 31.007 31.700 -1.101 0.000 0.787 94 A N -0.133 122.596 122.820 -0.153 0.000 1.883 94 A HA -0.208 4.111 4.320 -0.001 0.000 0.217 94 A C 2.168 179.875 177.584 0.204 0.000 1.186 94 A CA 1.508 53.633 52.037 0.147 0.000 0.624 94 A CB -1.894 17.334 19.000 0.380 0.000 0.822 94 A HN 0.126 nan 8.150 nan 0.000 0.444 95 F N 0.694 120.689 119.950 0.075 0.000 2.095 95 F HA -0.198 4.328 4.527 -0.001 0.000 0.298 95 F C 1.959 177.792 175.800 0.055 0.000 1.104 95 F CA 1.816 59.858 58.000 0.070 0.000 1.232 95 F CB -0.340 38.696 39.000 0.061 0.000 0.987 95 F HN 0.195 nan 8.300 nan 0.000 0.475 96 I N -0.653 119.953 120.570 0.061 0.000 2.226 96 I HA -0.330 3.840 4.170 -0.001 0.000 0.245 96 I C 2.479 178.576 176.117 -0.033 0.000 1.100 96 I CA 1.508 62.785 61.300 -0.038 0.000 1.374 96 I CB -0.731 37.326 38.000 0.094 0.000 1.057 96 I HN 0.059 nan 8.210 nan 0.000 0.413 97 S N 0.252 115.984 115.700 0.054 0.000 2.370 97 S HA -0.145 4.324 4.470 -0.001 0.000 0.226 97 S C 2.117 176.705 174.600 -0.019 0.000 1.033 97 S CA 1.254 59.490 58.200 0.060 0.000 1.011 97 S CB -0.303 62.979 63.200 0.136 0.000 0.852 97 S HN 0.224 nan 8.310 nan 0.000 0.457 98 V N 2.376 122.266 119.914 -0.040 0.000 2.295 98 V HA -0.175 3.945 4.120 -0.001 0.000 0.246 98 V C 2.208 178.217 176.094 -0.140 0.000 1.049 98 V CA 1.561 63.816 62.300 -0.075 0.000 1.024 98 V CB -0.780 31.023 31.823 -0.032 0.000 0.648 98 V HN 0.438 nan 8.190 nan 0.000 0.447 99 L N -0.347 120.729 121.223 -0.245 0.000 2.042 99 L HA -0.229 4.111 4.340 -0.001 0.000 0.210 99 L C 2.600 179.388 176.870 -0.136 0.000 1.076 99 L CA 1.890 56.586 54.840 -0.239 0.000 0.749 99 L CB -0.802 41.049 42.059 -0.347 0.000 0.893 99 L HN 0.421 nan 8.230 nan 0.000 0.432 100 E N -0.304 119.835 120.200 -0.101 0.000 2.085 100 E HA -0.191 4.159 4.350 -0.001 0.000 0.194 100 E C 2.241 178.802 176.600 -0.065 0.000 0.994 100 E CA 1.403 57.767 56.400 -0.060 0.000 0.801 100 E CB -0.060 29.625 29.700 -0.025 0.000 0.743 100 E HN 0.299 nan 8.360 nan 0.000 0.453 101 V N 1.296 121.166 119.914 -0.073 0.000 2.379 101 V HA -0.181 3.939 4.120 -0.001 0.000 0.243 101 V C 2.304 178.336 176.094 -0.103 0.000 1.035 101 V CA 1.071 63.322 62.300 -0.082 0.000 1.035 101 V CB -0.415 31.358 31.823 -0.083 0.000 0.673 101 V HN 0.240 nan 8.190 nan 0.000 0.457 102 L N 0.502 121.658 121.223 -0.111 0.000 1.990 102 L HA -0.227 4.112 4.340 -0.001 0.000 0.213 102 L C 2.796 179.563 176.870 -0.171 0.000 1.072 102 L CA 1.954 56.716 54.840 -0.131 0.000 0.755 102 L CB -0.947 41.043 42.059 -0.115 0.000 0.889 102 L HN 0.389 nan 8.230 nan 0.000 0.432 103 A N -0.038 122.695 122.820 -0.145 0.000 1.940 103 A HA -0.175 4.145 4.320 -0.001 0.000 0.219 103 A C 2.513 179.997 177.584 -0.167 0.000 1.176 103 A CA 1.748 53.690 52.037 -0.158 0.000 0.631 103 A CB -0.672 18.312 19.000 -0.027 0.000 0.814 103 A HN 0.441 nan 8.150 nan 0.000 0.446 104 A N -0.140 122.615 122.820 -0.108 0.000 1.972 104 A HA -0.150 4.169 4.320 -0.001 0.000 0.219 104 A C 1.717 179.235 177.584 -0.110 0.000 1.169 104 A CA 1.454 53.441 52.037 -0.082 0.000 0.635 104 A CB -0.478 18.484 19.000 -0.064 0.000 0.810 104 A HN 0.593 nan 8.150 nan 0.000 0.446 105 N N -0.767 117.845 118.700 -0.147 0.000 2.314 105 N HA 0.150 4.890 4.740 -0.001 0.000 0.200 105 N C 0.915 176.305 175.510 -0.201 0.000 1.135 105 N CA 0.774 53.737 53.050 -0.144 0.000 0.835 105 N CB 0.380 38.788 38.487 -0.130 0.000 0.989 105 N HN 0.598 nan 8.380 nan 0.000 0.478 106 G N 0.727 109.323 108.800 -0.340 0.000 2.160 106 G HA2 -0.259 3.701 3.960 -0.001 0.000 0.251 106 G HA3 -0.259 3.701 3.960 -0.001 0.000 0.251 106 G C 0.077 174.640 174.900 -0.562 0.000 1.008 106 G CA 0.021 44.797 45.100 -0.541 0.000 0.724 106 G HN 0.171 nan 8.290 nan 0.000 0.514 107 V N 1.054 120.696 119.914 -0.454 0.000 2.583 107 V HA 0.331 4.451 4.120 -0.001 0.000 0.287 107 V C 0.256 176.223 176.094 -0.212 0.000 1.051 107 V CA -0.674 61.474 62.300 -0.252 0.000 1.010 107 V CB 1.492 33.215 31.823 -0.166 0.000 0.988 107 V HN 0.272 nan 8.190 nan 0.000 0.478 108 D N 3.524 123.893 120.400 -0.051 0.000 2.295 108 D HA 0.379 5.019 4.640 -0.001 0.000 0.248 108 D C -0.378 175.884 176.300 -0.064 0.000 1.154 108 D CA 0.087 54.105 54.000 0.031 0.000 0.857 108 D CB 1.830 42.654 40.800 0.042 0.000 1.117 108 D HN 0.239 nan 8.370 nan 0.000 0.468 109 V N 3.612 123.493 119.914 -0.056 0.000 2.581 109 V HA 0.463 4.583 4.120 -0.001 0.000 0.303 109 V C 0.425 176.449 176.094 -0.117 0.000 1.041 109 V CA -0.816 61.426 62.300 -0.096 0.000 0.907 109 V CB 2.012 33.792 31.823 -0.072 0.000 0.994 109 V HN 0.364 nan 8.190 nan 0.000 0.442 110 I N 4.744 125.199 120.570 -0.191 0.000 2.433 110 I HA 0.650 4.820 4.170 -0.001 0.000 0.292 110 I C -0.468 175.660 176.117 0.018 0.000 1.001 110 I CA -0.777 60.428 61.300 -0.158 0.000 1.119 110 I CB 1.998 39.739 38.000 -0.431 0.000 1.289 110 I HN 0.551 nan 8.210 nan 0.000 0.438 111 V N 2.545 122.515 119.914 0.093 0.000 3.001 111 V HA 0.545 4.665 4.120 -0.001 0.000 0.314 111 V C -0.531 175.641 176.094 0.130 0.000 1.099 111 V CA -0.968 61.443 62.300 0.186 0.000 0.989 111 V CB 1.750 33.764 31.823 0.319 0.000 1.040 111 V HN 0.743 nan 8.190 nan 0.000 0.434 112 Q N 2.416 122.270 119.800 0.090 0.000 2.311 112 Q HA 0.228 4.567 4.340 -0.001 0.000 0.272 112 Q C 0.397 176.392 176.000 -0.008 0.000 1.012 112 Q CA 0.423 56.238 55.803 0.021 0.000 0.891 112 Q CB 0.589 29.305 28.738 -0.037 0.000 1.201 112 Q HN 0.964 nan 8.270 nan 0.000 0.391 113 E N 3.452 123.647 120.200 -0.008 0.000 2.425 113 E HA -0.055 4.294 4.350 -0.001 0.000 0.258 113 E C -0.432 176.134 176.600 -0.057 0.000 1.151 113 E CA -0.112 56.279 56.400 -0.016 0.000 0.958 113 E CB 0.247 29.941 29.700 -0.011 0.000 0.968 113 E HN 0.720 nan 8.360 nan 0.000 0.451 114 N N 1.066 119.737 118.700 -0.047 0.000 2.708 114 N HA -0.282 4.458 4.740 -0.001 0.000 0.249 114 N C -0.424 175.006 175.510 -0.134 0.000 1.097 114 N CA 1.320 54.328 53.050 -0.069 0.000 0.710 114 N CB -1.795 36.655 38.487 -0.063 0.000 1.032 114 N HN 0.874 nan 8.380 nan 0.000 0.551 115 N N -1.681 116.931 118.700 -0.147 0.000 2.708 115 N HA -0.174 4.566 4.740 -0.001 0.000 0.249 115 N C 0.586 175.768 175.510 -0.547 0.000 1.097 115 N CA 1.295 54.174 53.050 -0.284 0.000 0.710 115 N CB -0.943 37.410 38.487 -0.223 0.000 1.032 115 N HN 0.671 nan 8.380 nan 0.000 0.551 116 G N -1.105 107.432 108.800 -0.438 0.000 2.683 116 G HA2 0.417 4.377 3.960 -0.001 0.000 0.260 116 G HA3 0.417 4.377 3.960 -0.001 0.000 0.260 116 G C -0.204 174.296 174.900 -0.667 0.000 1.238 116 G CA -0.350 44.439 45.100 -0.518 0.000 0.934 116 G HN 0.168 nan 8.290 nan 0.000 0.534 117 F N -1.342 118.558 119.950 -0.084 0.000 2.507 117 F HA 0.594 5.121 4.527 -0.000 0.000 0.327 117 F C 0.570 176.328 175.800 -0.070 0.000 1.068 117 F CA -0.554 57.386 58.000 -0.100 0.000 0.965 117 F CB 2.650 41.593 39.000 -0.095 0.000 1.192 117 F HN 0.229 nan 8.300 nan 0.000 0.476 118 T N 2.780 117.380 114.554 0.075 0.000 3.031 118 T HA 0.349 4.699 4.350 -0.001 0.000 0.305 118 T C -2.843 171.746 174.700 -0.185 0.000 0.985 118 T CA -1.435 60.630 62.100 -0.058 0.000 1.008 118 T CB 1.874 70.738 68.868 -0.007 0.000 1.005 118 T HN 0.100 nan 8.240 nan 0.000 0.444 119 P HA 0.122 nan 4.420 nan 0.000 0.267 119 P C 1.114 178.277 177.300 -0.230 0.000 1.200 119 P CA 0.073 62.947 63.100 -0.376 0.000 0.772 119 P CB 0.425 31.720 31.700 -0.676 0.000 0.855 120 T N 4.531 119.015 114.554 -0.116 0.000 2.620 120 T HA -0.151 4.198 4.350 -0.001 0.000 0.267 120 T C -0.729 173.905 174.700 -0.110 0.000 1.044 120 T CA 2.353 64.401 62.100 -0.086 0.000 1.161 120 T CB -1.779 67.053 68.868 -0.058 0.000 0.862 120 T HN 0.591 nan 8.240 nan 0.000 0.438 121 P HA 0.087 nan 4.420 nan 0.000 0.223 121 P C 1.242 178.518 177.300 -0.039 0.000 1.151 121 P CA 1.140 64.222 63.100 -0.031 0.000 0.787 121 P CB -0.130 31.632 31.700 0.103 0.000 0.788 122 A N 0.129 122.788 122.820 -0.269 0.000 1.929 122 A HA -0.063 4.256 4.320 -0.001 0.000 0.216 122 A C 2.404 179.888 177.584 -0.168 0.000 1.176 122 A CA 1.350 53.208 52.037 -0.299 0.000 0.628 122 A CB -1.524 17.125 19.000 -0.585 0.000 0.816 122 A HN 0.041 nan 8.150 nan 0.000 0.444 123 V N -0.485 119.335 119.914 -0.156 0.000 2.343 123 V HA -0.213 3.907 4.120 -0.001 0.000 0.247 123 V C 2.784 178.770 176.094 -0.180 0.000 1.051 123 V CA 2.277 64.493 62.300 -0.140 0.000 1.036 123 V CB -0.836 30.959 31.823 -0.047 0.000 0.654 123 V HN 0.635 nan 8.190 nan 0.000 0.451 124 S N 0.231 115.845 115.700 -0.143 0.000 2.359 124 S HA -0.269 4.201 4.470 -0.001 0.000 0.224 124 S C 2.116 176.594 174.600 -0.204 0.000 1.035 124 S CA 2.044 60.160 58.200 -0.140 0.000 1.018 124 S CB -0.623 62.517 63.200 -0.099 0.000 0.876 124 S HN 0.719 nan 8.310 nan 0.000 0.448 125 N N 1.081 119.620 118.700 -0.269 0.000 2.120 125 N HA -0.110 4.630 4.740 -0.001 0.000 0.188 125 N C 1.889 177.185 175.510 -0.357 0.000 1.024 125 N CA 1.486 54.270 53.050 -0.442 0.000 0.852 125 N CB -0.476 37.607 38.487 -0.672 0.000 1.003 125 N HN 0.457 nan 8.380 nan 0.000 0.424 126 A N 1.509 124.108 122.820 -0.368 0.000 1.877 126 A HA -0.082 4.238 4.320 -0.001 0.000 0.216 126 A C 2.404 179.692 177.584 -0.493 0.000 1.186 126 A CA 1.019 52.720 52.037 -0.559 0.000 0.620 126 A CB -0.674 17.715 19.000 -1.018 0.000 0.822 126 A HN 0.369 nan 8.150 nan 0.000 0.443 127 I N -0.453 119.892 120.570 -0.375 0.000 2.163 127 I HA -0.281 3.889 4.170 -0.001 0.000 0.243 127 I C 2.450 178.569 176.117 0.003 0.000 1.085 127 I CA 1.259 62.498 61.300 -0.102 0.000 1.347 127 I CB -0.344 37.618 38.000 -0.064 0.000 1.044 127 I HN 0.305 nan 8.210 nan 0.000 0.408 128 L N -0.257 120.935 121.223 -0.051 0.000 2.017 128 L HA -0.197 4.143 4.340 -0.001 0.000 0.208 128 L C 2.605 179.475 176.870 0.001 0.000 1.073 128 L CA 1.066 55.910 54.840 0.006 0.000 0.745 128 L CB -0.617 41.415 42.059 -0.044 0.000 0.894 128 L HN 0.063 nan 8.230 nan 0.000 0.432 129 V N -0.589 119.286 119.914 -0.065 0.000 2.287 129 V HA -0.366 3.754 4.120 -0.001 0.000 0.248 129 V C 2.560 178.676 176.094 0.037 0.000 1.053 129 V CA 2.098 64.374 62.300 -0.040 0.000 1.027 129 V CB -0.867 30.904 31.823 -0.087 0.000 0.646 129 V HN 0.548 nan 8.190 nan 0.000 0.447 130 H N 0.642 119.715 119.070 0.005 0.000 2.321 130 H HA -0.138 4.418 4.556 -0.001 0.000 0.300 130 H C 2.152 177.521 175.328 0.069 0.000 1.087 130 H CA 2.013 58.109 56.048 0.080 0.000 1.319 130 H CB -0.011 29.868 29.762 0.195 0.000 1.379 130 H HN 0.388 nan 8.280 nan 0.000 0.501 131 N N 1.017 119.858 118.700 0.234 0.000 2.396 131 N HA -0.102 4.637 4.740 -0.001 0.000 0.180 131 N C 1.946 177.505 175.510 0.082 0.000 1.028 131 N CA 0.539 53.700 53.050 0.185 0.000 0.893 131 N CB -0.198 38.411 38.487 0.204 0.000 0.967 131 N HN 0.359 nan 8.380 nan 0.000 0.440 132 K N 1.829 122.255 120.400 0.043 0.000 2.152 132 K HA -0.043 4.277 4.320 -0.001 0.000 0.206 132 K C 1.431 178.023 176.600 -0.014 0.000 1.048 132 K CA 1.150 57.440 56.287 0.005 0.000 0.933 132 K CB 0.135 32.629 32.500 -0.010 0.000 0.721 132 K HN 0.054 nan 8.250 nan 0.000 0.447 133 K N -0.803 119.570 120.400 -0.047 0.000 2.360 133 K HA -0.052 4.267 4.320 -0.001 0.000 0.201 133 K C 0.916 177.489 176.600 -0.045 0.000 1.046 133 K CA 0.883 57.128 56.287 -0.070 0.000 0.940 133 K CB -0.186 32.223 32.500 -0.152 0.000 0.748 133 K HN 0.482 nan 8.250 nan 0.000 0.465 134 G N 1.097 109.886 108.800 -0.018 0.000 2.160 134 G HA2 -0.239 3.720 3.960 -0.001 0.000 0.244 134 G HA3 -0.239 3.720 3.960 -0.001 0.000 0.244 134 G C 0.303 175.210 174.900 0.011 0.000 1.022 134 G CA 0.128 45.233 45.100 0.008 0.000 0.741 134 G HN 0.557 nan 8.290 nan 0.000 0.508 135 G N -0.439 108.364 108.800 0.005 0.000 2.890 135 G HA2 0.779 4.739 3.960 -0.001 0.000 0.189 135 G HA3 0.779 4.739 3.960 -0.001 0.000 0.189 135 G C -2.146 172.802 174.900 0.080 0.000 1.342 135 G CA -0.631 44.485 45.100 0.026 0.000 1.026 135 G HN 0.266 nan 8.290 nan 0.000 0.579 136 P HA 0.182 nan 4.420 nan 0.000 0.265 136 P C -0.366 177.052 177.300 0.196 0.000 1.187 136 P CA 0.094 63.269 63.100 0.125 0.000 0.766 136 P CB 0.472 32.242 31.700 0.117 0.000 0.820 137 L N 1.734 123.037 121.223 0.134 0.000 2.380 137 L HA 0.408 4.748 4.340 -0.001 0.000 0.273 137 L C 0.860 177.778 176.870 0.079 0.000 1.138 137 L CA -0.536 54.386 54.840 0.137 0.000 0.832 137 L CB 0.523 42.635 42.059 0.088 0.000 1.124 137 L HN 0.419 nan 8.230 nan 0.000 0.454 138 A N 2.635 125.488 122.820 0.054 0.000 2.279 138 A HA 0.630 4.949 4.320 -0.001 0.000 0.303 138 A C -0.682 176.920 177.584 0.030 0.000 1.108 138 A CA -0.472 51.519 52.037 -0.077 0.000 0.830 138 A CB 0.809 19.666 19.000 -0.238 0.000 1.106 138 A HN 0.807 nan 8.150 nan 0.000 0.493 139 D N -0.941 119.487 120.400 0.046 0.000 2.867 139 D HA 0.761 5.400 4.640 -0.001 0.000 0.308 139 D C -0.151 176.200 176.300 0.085 0.000 1.202 139 D CA 0.059 54.076 54.000 0.029 0.000 1.035 139 D CB 0.818 41.651 40.800 0.055 0.000 1.427 139 D HN 1.050 nan 8.370 nan 0.000 0.570 140 G N -1.409 107.396 108.800 0.009 0.000 2.623 140 G HA2 0.574 4.534 3.960 -0.001 0.000 0.290 140 G HA3 0.574 4.534 3.960 -0.001 0.000 0.290 140 G C -1.684 173.293 174.900 0.128 0.000 1.437 140 G CA -0.855 44.309 45.100 0.107 0.000 0.798 140 G HN 0.475 nan 8.290 nan 0.000 0.488 141 I N 0.271 120.956 120.570 0.191 0.000 2.545 141 I HA 0.486 4.655 4.170 -0.001 0.000 0.292 141 I C -0.635 175.591 176.117 0.182 0.000 1.040 141 I CA -1.148 60.291 61.300 0.231 0.000 1.068 141 I CB 2.487 40.639 38.000 0.254 0.000 1.251 141 I HN 0.204 nan 8.210 nan 0.000 0.424 142 V N 6.833 126.843 119.914 0.160 0.000 2.409 142 V HA 0.432 4.552 4.120 -0.001 0.000 0.291 142 V C -0.015 176.175 176.094 0.159 0.000 1.020 142 V CA -0.476 61.901 62.300 0.129 0.000 0.848 142 V CB 1.869 33.729 31.823 0.062 0.000 0.990 142 V HN 0.483 nan 8.190 nan 0.000 0.430 143 I N 4.442 125.119 120.570 0.179 0.000 2.316 143 I HA 0.473 4.642 4.170 -0.001 0.000 0.286 143 I C 0.156 176.360 176.117 0.145 0.000 1.107 143 I CA 0.405 61.833 61.300 0.213 0.000 1.219 143 I CB 0.903 39.070 38.000 0.279 0.000 1.455 143 I HN 0.741 nan 8.210 nan 0.000 0.498 144 T N 6.086 120.689 114.554 0.082 0.000 2.942 144 T HA 0.423 4.772 4.350 -0.001 0.000 0.327 144 T C -2.693 171.934 174.700 -0.121 0.000 1.360 144 T CA -1.047 61.050 62.100 -0.005 0.000 1.055 144 T CB 2.332 71.223 68.868 0.039 0.000 1.261 144 T HN 0.233 nan 8.240 nan 0.000 0.485 145 P HA 0.307 nan 4.420 nan 0.000 0.274 145 P C 0.673 177.799 177.300 -0.290 0.000 1.673 145 P CA 0.051 62.937 63.100 -0.357 0.000 1.193 145 P CB 0.070 31.419 31.700 -0.584 0.000 1.571 146 S N 2.141 117.760 115.700 -0.136 0.000 4.112 146 S HA -0.247 4.223 4.470 -0.001 0.000 0.602 146 S C 1.264 175.893 174.600 0.049 0.000 1.939 146 S CA 1.686 59.879 58.200 -0.011 0.000 4.230 146 S CB -2.008 61.194 63.200 0.003 0.000 0.245 146 S HN 0.638 nan 8.310 nan 0.000 0.530 147 H N 1.707 120.757 119.070 -0.033 0.000 2.517 147 H HA 0.426 4.982 4.556 -0.001 0.000 0.282 147 H C 0.516 175.799 175.328 -0.075 0.000 1.023 147 H CA 0.154 56.177 56.048 -0.041 0.000 1.169 147 H CB -1.079 28.649 29.762 -0.056 0.000 1.454 147 H HN 0.273 nan 8.280 nan 0.000 0.556 148 N N 3.150 121.671 118.700 -0.299 0.000 2.305 148 N HA 0.012 4.752 4.740 -0.001 0.000 0.232 148 N C -2.217 173.233 175.510 -0.101 0.000 1.274 148 N CA -0.797 52.101 53.050 -0.253 0.000 0.870 148 N CB 0.171 38.461 38.487 -0.329 0.000 1.105 148 N HN 0.229 nan 8.380 nan 0.000 0.436 149 P HA 0.127 nan 4.420 nan 0.000 0.274 149 P C -1.724 175.541 177.300 -0.058 0.000 1.260 149 P CA -0.817 62.210 63.100 -0.122 0.000 0.793 149 P CB 0.075 31.712 31.700 -0.105 0.000 1.048 150 P HA -0.168 nan 4.420 nan 0.000 0.219 150 P C 1.162 178.528 177.300 0.110 0.000 1.146 150 P CA 1.397 64.517 63.100 0.033 0.000 0.808 150 P CB -0.286 31.468 31.700 0.089 0.000 0.779 151 E N -0.803 119.414 120.200 0.029 0.000 2.502 151 E HA -0.034 4.316 4.350 -0.001 0.000 0.194 151 E C -0.245 176.327 176.600 -0.047 0.000 1.062 151 E CA 0.650 57.056 56.400 0.010 0.000 0.867 151 E CB -0.550 29.146 29.700 -0.006 0.000 0.888 151 E HN 0.194 nan 8.360 nan 0.000 0.510 152 D N 0.685 121.023 120.400 -0.104 0.000 2.229 152 D HA 0.549 5.189 4.640 -0.001 0.000 0.249 152 D C -0.164 175.834 176.300 -0.503 0.000 1.027 152 D CA -0.114 53.711 54.000 -0.291 0.000 0.923 152 D CB 1.630 42.231 40.800 -0.331 0.000 1.174 152 D HN 0.176 nan 8.370 nan 0.000 0.443 153 G N -1.186 107.094 108.800 -0.868 0.000 2.498 153 G HA2 0.706 4.666 3.960 -0.001 0.000 0.312 153 G HA3 0.706 4.666 3.960 -0.001 0.000 0.312 153 G C -0.664 173.486 174.900 -1.250 0.000 1.230 153 G CA -0.810 43.414 45.100 -1.461 0.000 0.968 153 G HN 0.507 nan 8.290 nan 0.000 0.481 154 G N -1.140 107.266 108.800 -0.657 0.000 2.692 154 G HA2 0.657 4.617 3.960 -0.001 0.000 0.291 154 G HA3 0.657 4.617 3.960 -0.001 0.000 0.291 154 G C -1.804 173.271 174.900 0.291 0.000 1.423 154 G CA -0.594 44.471 45.100 -0.058 0.000 0.843 154 G HN 1.059 nan 8.290 nan 0.000 0.486 155 I N 0.090 120.883 120.570 0.371 0.000 2.722 155 I HA 0.655 4.825 4.170 -0.001 0.000 0.292 155 I C -1.246 175.071 176.117 0.334 0.000 1.267 155 I CA -0.917 60.603 61.300 0.368 0.000 1.036 155 I CB 2.152 40.412 38.000 0.433 0.000 1.281 155 I HN 0.772 nan 8.210 nan 0.000 0.423 156 K N 5.165 125.722 120.400 0.261 0.000 2.509 156 K HA 0.449 4.768 4.320 -0.001 0.000 0.266 156 K C -2.164 174.625 176.600 0.315 0.000 0.987 156 K CA -0.850 55.544 56.287 0.178 0.000 0.868 156 K CB 2.252 34.738 32.500 -0.024 0.000 1.421 156 K HN 0.463 nan 8.250 nan 0.000 0.444 157 Y N 1.101 121.510 120.300 0.181 0.000 2.429 157 Y HA 0.474 5.023 4.550 -0.001 0.000 0.342 157 Y C -1.564 174.382 175.900 0.077 0.000 1.004 157 Y CA -0.917 57.291 58.100 0.180 0.000 1.075 157 Y CB 1.978 40.613 38.460 0.291 0.000 1.214 157 Y HN 0.760 nan 8.280 nan 0.000 0.455 158 N N 7.778 126.129 118.700 -0.582 0.000 2.442 158 N HA 0.456 5.195 4.740 -0.001 0.000 0.274 158 N C -2.881 172.122 175.510 -0.845 0.000 1.002 158 N CA -1.798 50.928 53.050 -0.541 0.000 0.910 158 N CB 2.117 40.453 38.487 -0.252 0.000 1.244 158 N HN 0.340 nan 8.380 nan 0.000 0.492 159 P HA 0.339 nan 4.420 nan 0.000 0.302 159 P C -1.779 175.378 177.300 -0.239 0.000 1.307 159 P CA -1.302 61.527 63.100 -0.450 0.000 0.754 159 P CB 0.505 32.096 31.700 -0.183 0.000 1.298 160 P HA -0.134 nan 4.420 nan 0.000 0.223 160 P C 0.758 177.979 177.300 -0.131 0.000 1.144 160 P CA 1.327 64.381 63.100 -0.076 0.000 0.783 160 P CB -0.550 31.136 31.700 -0.022 0.000 0.771 161 N N -0.906 117.619 118.700 -0.292 0.000 2.521 161 N HA 0.011 4.750 4.740 -0.001 0.000 0.188 161 N C 1.321 176.705 175.510 -0.210 0.000 1.146 161 N CA 1.012 53.748 53.050 -0.524 0.000 0.893 161 N CB -1.182 36.718 38.487 -0.978 0.000 0.975 161 N HN 0.164 nan 8.380 nan 0.000 0.451 162 G N -1.971 106.745 108.800 -0.140 0.000 2.205 162 G HA2 -0.200 3.760 3.960 -0.001 0.000 0.261 162 G HA3 -0.200 3.760 3.960 -0.001 0.000 0.261 162 G C 0.374 175.223 174.900 -0.084 0.000 0.980 162 G CA 0.258 45.305 45.100 -0.088 0.000 0.632 162 G HN 0.832 nan 8.290 nan 0.000 0.533 163 G N 0.172 108.916 108.800 -0.092 0.000 2.535 163 G HA2 0.724 4.684 3.960 -0.001 0.000 0.303 163 G HA3 0.724 4.684 3.960 -0.001 0.000 0.303 163 G C -2.188 172.662 174.900 -0.084 0.000 1.237 163 G CA -0.763 44.316 45.100 -0.036 0.000 0.986 163 G HN 0.218 nan 8.290 nan 0.000 0.494 164 P HA 0.245 nan 4.420 nan 0.000 0.269 164 P C 0.022 177.267 177.300 -0.091 0.000 1.209 164 P CA -0.016 63.040 63.100 -0.074 0.000 0.776 164 P CB 0.714 32.386 31.700 -0.046 0.000 0.876 165 A N 2.459 125.234 122.820 -0.074 0.000 2.498 165 A HA 0.135 4.455 4.320 -0.001 0.000 0.239 165 A C 0.463 178.029 177.584 -0.029 0.000 1.068 165 A CA 0.280 52.316 52.037 -0.000 0.000 0.766 165 A CB -0.355 18.771 19.000 0.210 0.000 1.003 165 A HN 0.531 nan 8.150 nan 0.000 0.497 166 D N -0.343 120.036 120.400 -0.035 0.000 2.487 166 D HA 0.346 4.986 4.640 -0.001 0.000 0.262 166 D C 1.792 178.077 176.300 -0.025 0.000 1.130 166 D CA 0.522 54.473 54.000 -0.081 0.000 1.038 166 D CB 1.272 41.995 40.800 -0.128 0.000 1.142 166 D HN 0.538 nan 8.370 nan 0.000 0.575 167 T N -1.224 113.306 114.554 -0.041 0.000 2.929 167 T HA -0.169 4.180 4.350 -0.001 0.000 0.271 167 T C 1.363 176.076 174.700 0.022 0.000 1.085 167 T CA 1.271 63.373 62.100 0.002 0.000 1.125 167 T CB -0.374 68.490 68.868 -0.007 0.000 0.874 167 T HN 0.478 nan 8.240 nan 0.000 0.494 168 N N 1.570 120.274 118.700 0.007 0.000 2.272 168 N HA -0.091 4.649 4.740 -0.001 0.000 0.185 168 N C 1.583 177.115 175.510 0.036 0.000 1.014 168 N CA 1.300 54.359 53.050 0.016 0.000 0.870 168 N CB -0.674 37.814 38.487 0.002 0.000 0.975 168 N HN 0.472 nan 8.380 nan 0.000 0.433 169 V N 0.717 120.670 119.914 0.065 0.000 2.690 169 V HA -0.078 4.041 4.120 -0.001 0.000 0.240 169 V C 2.727 178.910 176.094 0.149 0.000 1.078 169 V CA 1.679 64.040 62.300 0.103 0.000 1.102 169 V CB -0.519 31.410 31.823 0.176 0.000 0.800 169 V HN 0.554 nan 8.190 nan 0.000 0.479 170 T N -0.678 113.997 114.554 0.201 0.000 2.720 170 T HA -0.283 4.067 4.350 -0.001 0.000 0.268 170 T C 1.857 176.719 174.700 0.269 0.000 1.037 170 T CA 1.954 64.261 62.100 0.345 0.000 1.144 170 T CB -0.278 68.707 68.868 0.196 0.000 0.864 170 T HN 0.257 nan 8.240 nan 0.000 0.444 171 K N 1.189 121.672 120.400 0.138 0.000 2.057 171 K HA 0.061 4.381 4.320 -0.001 0.000 0.207 171 K C 2.145 178.781 176.600 0.059 0.000 1.049 171 K CA 1.275 57.620 56.287 0.096 0.000 0.931 171 K CB -0.993 31.542 32.500 0.059 0.000 0.714 171 K HN 0.372 nan 8.250 nan 0.000 0.440 172 V N -0.028 119.909 119.914 0.038 0.000 2.358 172 V HA -0.192 3.928 4.120 -0.001 0.000 0.246 172 V C 2.294 178.360 176.094 -0.045 0.000 1.047 172 V CA 1.584 63.881 62.300 -0.006 0.000 1.035 172 V CB -0.341 31.474 31.823 -0.013 0.000 0.658 172 V HN 0.102 nan 8.190 nan 0.000 0.452 173 V N 0.131 120.011 119.914 -0.058 0.000 2.287 173 V HA -0.323 3.797 4.120 -0.001 0.000 0.248 173 V C 2.478 178.445 176.094 -0.212 0.000 1.053 173 V CA 2.474 64.649 62.300 -0.209 0.000 1.027 173 V CB -0.573 31.023 31.823 -0.378 0.000 0.646 173 V HN 0.695 nan 8.190 nan 0.000 0.447 174 E N -0.003 120.168 120.200 -0.048 0.000 2.051 174 E HA -0.277 4.072 4.350 -0.001 0.000 0.192 174 E C 1.897 178.483 176.600 -0.024 0.000 0.991 174 E CA 1.740 58.146 56.400 0.010 0.000 0.799 174 E CB -0.116 29.675 29.700 0.152 0.000 0.748 174 E HN 0.600 nan 8.360 nan 0.000 0.449 175 D N -0.056 120.336 120.400 -0.014 0.000 2.117 175 D HA -0.176 4.463 4.640 -0.001 0.000 0.197 175 D C 2.078 178.347 176.300 -0.052 0.000 0.987 175 D CA 0.989 54.977 54.000 -0.022 0.000 0.829 175 D CB -0.305 40.487 40.800 -0.013 0.000 0.961 175 D HN 0.038 nan 8.370 nan 0.000 0.460 176 R N 1.198 121.652 120.500 -0.076 0.000 2.081 176 R HA -0.017 4.323 4.340 -0.001 0.000 0.235 176 R C 1.937 178.168 176.300 -0.115 0.000 1.131 176 R CA 1.802 57.844 56.100 -0.096 0.000 0.960 176 R CB -0.874 29.356 30.300 -0.116 0.000 0.856 176 R HN 0.094 nan 8.270 nan 0.000 0.436 177 A N 0.557 123.290 122.820 -0.145 0.000 1.933 177 A HA -0.128 4.192 4.320 -0.001 0.000 0.218 177 A C 1.881 179.394 177.584 -0.119 0.000 1.175 177 A CA 1.658 53.599 52.037 -0.161 0.000 0.628 177 A CB -0.575 18.296 19.000 -0.216 0.000 0.814 177 A HN 0.437 nan 8.150 nan 0.000 0.444 178 N N 0.372 119.022 118.700 -0.083 0.000 2.188 178 N HA -0.075 4.665 4.740 -0.001 0.000 0.184 178 N C 1.925 177.399 175.510 -0.060 0.000 1.018 178 N CA 1.364 54.380 53.050 -0.057 0.000 0.858 178 N CB -0.486 37.988 38.487 -0.022 0.000 0.989 178 N HN 0.458 nan 8.380 nan 0.000 0.426 179 A N 1.396 124.180 122.820 -0.060 0.000 1.908 179 A HA -0.087 4.232 4.320 -0.001 0.000 0.218 179 A C 2.387 179.930 177.584 -0.068 0.000 1.181 179 A CA 1.008 53.011 52.037 -0.057 0.000 0.627 179 A CB -0.746 18.221 19.000 -0.055 0.000 0.818 179 A HN 0.205 nan 8.150 nan 0.000 0.445 180 L N -0.766 120.406 121.223 -0.085 0.000 2.056 180 L HA -0.161 4.179 4.340 -0.001 0.000 0.207 180 L C 2.569 179.379 176.870 -0.099 0.000 1.078 180 L CA 0.954 55.738 54.840 -0.093 0.000 0.749 180 L CB -0.514 41.479 42.059 -0.110 0.000 0.901 180 L HN 0.368 nan 8.230 nan 0.000 0.433 181 L N -0.368 120.789 121.223 -0.111 0.000 2.017 181 L HA -0.219 4.120 4.340 -0.001 0.000 0.208 181 L C 2.870 179.687 176.870 -0.088 0.000 1.073 181 L CA 1.296 56.063 54.840 -0.122 0.000 0.745 181 L CB -0.767 41.207 42.059 -0.141 0.000 0.894 181 L HN 0.253 nan 8.230 nan 0.000 0.432 182 A N 0.080 122.859 122.820 -0.069 0.000 1.972 182 A HA -0.124 4.195 4.320 -0.001 0.000 0.219 182 A C 2.182 179.736 177.584 -0.051 0.000 1.169 182 A CA 1.672 53.678 52.037 -0.052 0.000 0.635 182 A CB -1.013 17.962 19.000 -0.042 0.000 0.810 182 A HN 0.474 nan 8.150 nan 0.000 0.446 183 G N -1.938 106.829 108.800 -0.056 0.000 3.088 183 G HA2 0.371 4.330 3.960 -0.001 0.000 0.212 183 G HA3 0.371 4.330 3.960 -0.001 0.000 0.212 183 G C 1.097 175.965 174.900 -0.054 0.000 1.173 183 G CA 0.466 45.535 45.100 -0.051 0.000 0.779 183 G HN 1.594 nan 8.290 nan 0.000 0.540 184 G N 0.366 109.128 108.800 -0.062 0.000 2.160 184 G HA2 -0.272 3.688 3.960 -0.001 0.000 0.251 184 G HA3 -0.272 3.688 3.960 -0.001 0.000 0.251 184 G C 0.822 175.681 174.900 -0.068 0.000 1.008 184 G CA 0.095 45.157 45.100 -0.063 0.000 0.724 184 G HN 1.178 nan 8.290 nan 0.000 0.514 185 L N -2.476 118.700 121.223 -0.079 0.000 4.232 185 L HA -0.314 4.026 4.340 -0.001 0.000 0.415 185 L C 2.273 179.103 176.870 -0.067 0.000 1.168 185 L CA 1.235 56.026 54.840 -0.082 0.000 0.966 185 L CB -1.684 40.320 42.059 -0.091 0.000 2.052 185 L HN 0.430 nan 8.230 nan 0.000 0.887 186 Q N 0.332 120.098 119.800 -0.058 0.000 2.152 186 Q HA -0.146 4.194 4.340 -0.001 0.000 0.206 186 Q C 2.109 178.079 176.000 -0.051 0.000 0.985 186 Q CA 2.127 57.901 55.803 -0.049 0.000 0.863 186 Q CB -0.224 28.489 28.738 -0.043 0.000 0.904 186 Q HN 0.753 nan 8.270 nan 0.000 0.422 187 G N -0.172 108.593 108.800 -0.058 0.000 2.920 187 G HA2 0.136 4.095 3.960 -0.001 0.000 0.208 187 G HA3 0.136 4.095 3.960 -0.001 0.000 0.208 187 G C 0.369 175.228 174.900 -0.068 0.000 1.159 187 G CA -0.157 44.906 45.100 -0.061 0.000 0.784 187 G HN 0.102 nan 8.290 nan 0.000 0.535 188 V N 1.266 121.137 119.914 -0.071 0.000 2.455 188 V HA 0.182 4.301 4.120 -0.001 0.000 0.273 188 V C 0.123 176.179 176.094 -0.064 0.000 1.045 188 V CA -0.353 61.902 62.300 -0.076 0.000 0.976 188 V CB 1.012 32.786 31.823 -0.081 0.000 0.993 188 V HN 0.218 nan 8.190 nan 0.000 0.475 189 K N 5.444 125.804 120.400 -0.067 0.000 2.201 189 K HA 0.686 5.005 4.320 -0.001 0.000 0.278 189 K C -0.177 176.388 176.600 -0.058 0.000 1.027 189 K CA -0.520 55.732 56.287 -0.059 0.000 0.909 189 K CB 1.393 33.855 32.500 -0.062 0.000 1.062 189 K HN 0.575 nan 8.250 nan 0.000 0.465 190 R N 3.278 123.751 120.500 -0.045 0.000 2.604 190 R HA 0.419 4.759 4.340 -0.001 0.000 0.270 190 R C -1.318 174.965 176.300 -0.028 0.000 1.052 190 R CA -0.614 55.463 56.100 -0.038 0.000 0.902 190 R CB 1.128 31.410 30.300 -0.031 0.000 1.233 190 R HN 0.799 nan 8.270 nan 0.000 0.455 191 I N -0.182 120.373 120.570 -0.025 0.000 2.957 191 I HA 0.571 4.740 4.170 -0.001 0.000 0.310 191 I C 0.129 176.239 176.117 -0.011 0.000 1.063 191 I CA -0.994 60.298 61.300 -0.014 0.000 1.033 191 I CB 2.183 40.178 38.000 -0.009 0.000 1.230 191 I HN 0.711 nan 8.210 nan 0.000 0.447 192 S N 2.852 118.548 115.700 -0.006 0.000 2.576 192 S HA 0.053 4.523 4.470 -0.001 0.000 0.272 192 S C 0.890 175.485 174.600 -0.007 0.000 1.352 192 S CA -0.469 57.729 58.200 -0.003 0.000 1.021 192 S CB 1.176 64.374 63.200 -0.004 0.000 0.887 192 S HN 0.791 nan 8.310 nan 0.000 0.542 193 L N 1.047 122.267 121.223 -0.005 0.000 2.042 193 L HA -0.085 4.254 4.340 -0.001 0.000 0.210 193 L C 1.817 178.681 176.870 -0.011 0.000 1.076 193 L CA 2.107 56.940 54.840 -0.012 0.000 0.749 193 L CB -1.164 40.894 42.059 -0.002 0.000 0.893 193 L HN 0.775 nan 8.230 nan 0.000 0.432 194 D N -0.111 120.285 120.400 -0.006 0.000 2.123 194 D HA -0.167 4.473 4.640 -0.001 0.000 0.196 194 D C 2.201 178.498 176.300 -0.006 0.000 0.992 194 D CA 1.599 55.596 54.000 -0.005 0.000 0.833 194 D CB -0.245 40.553 40.800 -0.005 0.000 0.954 194 D HN 0.521 nan 8.370 nan 0.000 0.455 195 A N 0.978 123.796 122.820 -0.005 0.000 1.902 195 A HA -0.028 4.292 4.320 -0.001 0.000 0.217 195 A C 2.317 179.903 177.584 0.003 0.000 1.181 195 A CA 2.163 54.199 52.037 -0.002 0.000 0.623 195 A CB -0.701 18.299 19.000 -0.000 0.000 0.818 195 A HN 0.232 nan 8.150 nan 0.000 0.443 196 A N -0.541 122.278 122.820 -0.001 0.000 1.883 196 A HA -0.157 4.163 4.320 -0.001 0.000 0.217 196 A C 2.156 179.742 177.584 0.003 0.000 1.186 196 A CA 2.097 54.136 52.037 0.004 0.000 0.624 196 A CB -0.510 18.474 19.000 -0.027 0.000 0.822 196 A HN 0.434 nan 8.150 nan 0.000 0.444 197 M N -0.393 119.202 119.600 -0.009 0.000 2.213 197 M HA -0.068 4.411 4.480 -0.001 0.000 0.263 197 M C 2.283 178.576 176.300 -0.011 0.000 1.062 197 M CA 1.538 56.833 55.300 -0.008 0.000 1.105 197 M CB -1.538 31.059 32.600 -0.005 0.000 1.385 197 M HN 0.479 nan 8.290 nan 0.000 0.417 198 A N 0.084 122.898 122.820 -0.011 0.000 2.169 198 A HA 0.013 4.332 4.320 -0.001 0.000 0.212 198 A C 2.272 179.837 177.584 -0.031 0.000 1.153 198 A CA 1.244 53.270 52.037 -0.018 0.000 0.756 198 A CB -0.633 18.358 19.000 -0.014 0.000 0.813 198 A HN 0.581 nan 8.150 nan 0.000 0.471 199 S N -1.633 114.051 115.700 -0.026 0.000 2.453 199 S HA 0.278 4.747 4.470 -0.001 0.000 0.231 199 S C 1.645 176.147 174.600 -0.163 0.000 1.005 199 S CA 1.290 59.461 58.200 -0.049 0.000 0.949 199 S CB -0.391 62.839 63.200 0.051 0.000 0.774 199 S HN 1.796 nan 8.310 nan 0.000 0.510 200 G N 0.778 109.501 108.800 -0.128 0.000 2.199 200 G HA2 -0.267 3.693 3.960 -0.001 0.000 0.254 200 G HA3 -0.267 3.693 3.960 -0.001 0.000 0.254 200 G C 0.641 175.430 174.900 -0.185 0.000 0.982 200 G CA 0.457 45.457 45.100 -0.166 0.000 0.632 200 G HN 0.597 nan 8.290 nan 0.000 0.529 201 H N -0.460 118.589 119.070 -0.036 0.000 2.548 201 H HA 0.319 4.875 4.556 -0.000 0.000 0.268 201 H C 0.821 176.115 175.328 -0.056 0.000 0.975 201 H CA 1.175 57.195 56.048 -0.046 0.000 1.195 201 H CB 0.513 30.245 29.762 -0.050 0.000 1.397 201 H HN 0.306 nan 8.280 nan 0.000 0.572 202 V N 1.702 121.642 119.914 0.044 0.000 2.334 202 V HA 0.450 4.570 4.120 -0.001 0.000 0.281 202 V C 0.340 176.433 176.094 -0.001 0.000 1.016 202 V CA -0.793 61.511 62.300 0.007 0.000 0.832 202 V CB 1.088 32.904 31.823 -0.012 0.000 0.999 202 V HN 0.272 nan 8.190 nan 0.000 0.439 203 K N 2.799 123.195 120.400 -0.006 0.000 2.274 203 K HA 0.904 5.224 4.320 -0.001 0.000 0.262 203 K C -0.148 176.462 176.600 0.017 0.000 0.961 203 K CA -0.109 56.177 56.287 -0.002 0.000 0.833 203 K CB 1.802 34.294 32.500 -0.013 0.000 1.102 203 K HN 1.154 nan 8.250 nan 0.000 0.436 204 A N 1.593 124.429 122.820 0.026 0.000 2.276 204 A HA 0.757 5.076 4.320 -0.001 0.000 0.316 204 A C 0.190 177.795 177.584 0.035 0.000 1.229 204 A CA -0.060 52.001 52.037 0.039 0.000 0.851 204 A CB 0.168 19.189 19.000 0.035 0.000 1.165 204 A HN 1.840 nan 8.150 nan 0.000 0.513 205 V N -0.397 119.546 119.914 0.048 0.000 3.160 205 V HA 0.705 4.825 4.120 -0.001 0.000 0.310 205 V C -0.889 175.228 176.094 0.038 0.000 1.181 205 V CA -0.979 61.350 62.300 0.049 0.000 1.047 205 V CB 1.980 33.851 31.823 0.080 0.000 1.068 205 V HN 0.708 nan 8.190 nan 0.000 0.441 206 D N 0.814 121.228 120.400 0.024 0.000 2.411 206 D HA 0.416 5.055 4.640 -0.001 0.000 0.225 206 D C 0.781 177.086 176.300 0.009 0.000 1.156 206 D CA -0.087 53.910 54.000 -0.004 0.000 0.874 206 D CB 0.861 41.645 40.800 -0.026 0.000 1.034 206 D HN 0.605 nan 8.370 nan 0.000 0.502 207 L N 3.102 124.335 121.223 0.017 0.000 2.341 207 L HA -0.033 4.307 4.340 -0.001 0.000 0.214 207 L C 2.090 178.956 176.870 -0.006 0.000 1.115 207 L CA 0.086 54.954 54.840 0.047 0.000 0.820 207 L CB -0.008 42.105 42.059 0.090 0.000 0.944 207 L HN 0.348 nan 8.230 nan 0.000 0.452 208 V N -0.248 119.557 119.914 -0.182 0.000 2.261 208 V HA -0.306 3.814 4.120 -0.001 0.000 0.246 208 V C 2.462 178.421 176.094 -0.225 0.000 1.047 208 V CA 1.899 63.889 62.300 -0.516 0.000 1.015 208 V CB -0.471 30.956 31.823 -0.660 0.000 0.642 208 V HN 0.398 nan 8.190 nan 0.000 0.446 209 Q N 0.305 120.024 119.800 -0.136 0.000 2.084 209 Q HA -0.118 4.221 4.340 -0.001 0.000 0.202 209 Q C -0.079 175.900 176.000 -0.035 0.000 0.978 209 Q CA 2.202 57.944 55.803 -0.101 0.000 0.844 209 Q CB -1.360 27.325 28.738 -0.089 0.000 0.898 209 Q HN 0.471 nan 8.270 nan 0.000 0.426 210 P HA -0.117 nan 4.420 nan 0.000 0.216 210 P C 0.788 178.176 177.300 0.146 0.000 1.153 210 P CA 1.005 64.141 63.100 0.062 0.000 0.848 210 P CB -0.222 31.512 31.700 0.058 0.000 0.787 211 F N 0.127 120.109 119.950 0.052 0.000 2.075 211 F HA -0.209 4.317 4.527 -0.001 0.000 0.297 211 F C 2.033 178.009 175.800 0.294 0.000 1.113 211 F CA 1.421 59.539 58.000 0.196 0.000 1.218 211 F CB -0.732 38.422 39.000 0.257 0.000 0.984 211 F HN -0.316 nan 8.300 nan 0.000 0.472 212 V N 0.530 120.679 119.914 0.393 0.000 2.295 212 V HA -0.303 3.816 4.120 -0.001 0.000 0.246 212 V C 2.184 178.374 176.094 0.161 0.000 1.049 212 V CA 2.365 64.829 62.300 0.274 0.000 1.024 212 V CB -0.717 31.169 31.823 0.105 0.000 0.648 212 V HN 0.366 nan 8.190 nan 0.000 0.447 213 E N 0.243 120.419 120.200 -0.040 0.000 2.153 213 E HA -0.139 4.211 4.350 -0.001 0.000 0.194 213 E C 2.274 178.971 176.600 0.161 0.000 0.988 213 E CA 1.106 57.471 56.400 -0.059 0.000 0.811 213 E CB -0.422 29.198 29.700 -0.133 0.000 0.746 213 E HN 0.659 nan 8.360 nan 0.000 0.466 214 G N 1.126 110.042 108.800 0.193 0.000 2.471 214 G HA2 -0.192 3.768 3.960 -0.001 0.000 0.219 214 G HA3 -0.192 3.768 3.960 -0.001 0.000 0.219 214 G C 1.531 176.458 174.900 0.044 0.000 1.125 214 G CA 0.124 45.392 45.100 0.281 0.000 0.775 214 G HN 0.100 nan 8.290 nan 0.000 0.548 215 L N 0.643 121.801 121.223 -0.108 0.000 2.127 215 L HA -0.143 4.196 4.340 -0.001 0.000 0.211 215 L C 3.285 180.005 176.870 -0.250 0.000 1.089 215 L CA 0.951 55.521 54.840 -0.450 0.000 0.757 215 L CB -0.308 41.599 42.059 -0.254 0.000 0.899 215 L HN 0.304 nan 8.230 nan 0.000 0.434 216 A N -0.717 122.129 122.820 0.045 0.000 2.131 216 A HA -0.261 4.058 4.320 -0.001 0.000 0.220 216 A C 1.809 179.520 177.584 0.212 0.000 1.158 216 A CA 1.948 54.070 52.037 0.142 0.000 0.665 216 A CB -0.466 18.708 19.000 0.290 0.000 0.795 216 A HN 0.405 nan 8.150 nan 0.000 0.460 217 D N -1.821 118.653 120.400 0.124 0.000 2.339 217 D HA 0.174 4.813 4.640 -0.001 0.000 0.217 217 D C 1.083 177.445 176.300 0.104 0.000 1.050 217 D CA 0.487 54.628 54.000 0.235 0.000 0.856 217 D CB 0.058 40.976 40.800 0.196 0.000 0.922 217 D HN 0.481 nan 8.370 nan 0.000 0.518 218 I N -1.470 118.940 120.570 -0.267 0.000 4.706 218 I HA 0.198 4.367 4.170 -0.001 0.000 0.321 218 I C -0.757 174.929 176.117 -0.720 0.000 1.249 218 I CA 0.105 61.018 61.300 -0.645 0.000 1.321 218 I CB 1.011 38.498 38.000 -0.855 0.000 1.342 218 I HN -0.315 nan 8.210 nan 0.000 0.463 219 V N 1.576 121.277 119.914 -0.355 0.000 2.715 219 V HA 0.321 4.441 4.120 -0.001 0.000 0.310 219 V C -0.686 175.524 176.094 0.194 0.000 1.054 219 V CA -0.683 61.548 62.300 -0.114 0.000 0.928 219 V CB 1.639 33.393 31.823 -0.115 0.000 1.007 219 V HN 0.062 nan 8.190 nan 0.000 0.437 220 D N 3.665 124.247 120.400 0.304 0.000 2.545 220 D HA 0.094 4.734 4.640 -0.001 0.000 0.227 220 D C 1.090 177.430 176.300 0.066 0.000 1.150 220 D CA -0.102 54.049 54.000 0.252 0.000 1.046 220 D CB 0.563 41.495 40.800 0.220 0.000 1.098 220 D HN 0.306 nan 8.370 nan 0.000 0.502 221 M N 1.302 120.900 119.600 -0.004 0.000 2.229 221 M HA -0.067 4.413 4.480 -0.001 0.000 0.264 221 M C 1.991 178.290 176.300 -0.001 0.000 1.063 221 M CA 0.555 55.777 55.300 -0.130 0.000 1.114 221 M CB -1.059 31.262 32.600 -0.463 0.000 1.387 221 M HN 0.369 nan 8.290 nan 0.000 0.420 222 A N 0.222 123.067 122.820 0.042 0.000 1.930 222 A HA 0.092 4.411 4.320 -0.001 0.000 0.217 222 A C 2.442 180.050 177.584 0.040 0.000 1.175 222 A CA 1.771 53.840 52.037 0.054 0.000 0.627 222 A CB -0.720 18.304 19.000 0.040 0.000 0.815 222 A HN 0.449 nan 8.150 nan 0.000 0.443 223 A N 0.048 122.889 122.820 0.034 0.000 1.898 223 A HA -0.024 4.296 4.320 -0.001 0.000 0.216 223 A C 2.086 179.689 177.584 0.032 0.000 1.181 223 A CA 1.378 53.435 52.037 0.034 0.000 0.620 223 A CB -0.567 18.458 19.000 0.041 0.000 0.819 223 A HN 0.485 nan 8.150 nan 0.000 0.442 224 I N -0.399 120.187 120.570 0.027 0.000 2.142 224 I HA -0.350 3.819 4.170 -0.001 0.000 0.240 224 I C 2.808 178.953 176.117 0.048 0.000 1.078 224 I CA 1.715 63.033 61.300 0.030 0.000 1.343 224 I CB -0.615 37.397 38.000 0.019 0.000 1.046 224 I HN 0.426 nan 8.210 nan 0.000 0.405 225 Q N 0.952 120.788 119.800 0.060 0.000 2.062 225 Q HA -0.304 4.036 4.340 -0.001 0.000 0.209 225 Q C 2.634 178.668 176.000 0.056 0.000 0.996 225 Q CA 2.727 58.575 55.803 0.075 0.000 0.859 225 Q CB -0.508 28.285 28.738 0.092 0.000 0.920 225 Q HN 0.613 nan 8.270 nan 0.000 0.415 226 K N 0.745 121.173 120.400 0.046 0.000 2.097 226 K HA -0.013 4.306 4.320 -0.001 0.000 0.206 226 K C 2.072 178.693 176.600 0.034 0.000 1.049 226 K CA 1.462 57.771 56.287 0.037 0.000 0.933 226 K CB -1.161 31.358 32.500 0.032 0.000 0.717 226 K HN 0.379 nan 8.250 nan 0.000 0.442 227 A N -0.345 122.496 122.820 0.035 0.000 2.019 227 A HA 0.348 4.668 4.320 -0.001 0.000 0.219 227 A C 2.272 179.875 177.584 0.033 0.000 1.164 227 A CA 1.466 53.522 52.037 0.032 0.000 0.644 227 A CB -0.892 18.126 19.000 0.031 0.000 0.805 227 A HN 1.757 nan 8.150 nan 0.000 0.449 228 G N -0.943 107.881 108.800 0.039 0.000 2.295 228 G HA2 -0.222 3.738 3.960 -0.001 0.000 0.287 228 G HA3 -0.222 3.738 3.960 -0.001 0.000 0.287 228 G C 0.011 174.935 174.900 0.039 0.000 1.055 228 G CA 0.389 45.513 45.100 0.039 0.000 0.922 228 G HN 0.494 nan 8.290 nan 0.000 0.503 229 L N -0.074 121.175 121.223 0.043 0.000 2.452 229 L HA 0.342 4.682 4.340 -0.001 0.000 0.267 229 L C 1.009 177.910 176.870 0.053 0.000 1.188 229 L CA -0.052 54.815 54.840 0.044 0.000 0.821 229 L CB 0.708 42.793 42.059 0.044 0.000 1.102 229 L HN 0.149 nan 8.230 nan 0.000 0.470 230 T N 4.254 118.846 114.554 0.064 0.000 2.794 230 T HA 0.449 4.798 4.350 -0.001 0.000 0.304 230 T C -0.006 174.784 174.700 0.150 0.000 0.973 230 T CA -0.309 61.856 62.100 0.108 0.000 0.972 230 T CB -0.128 68.803 68.868 0.104 0.000 0.952 230 T HN 0.240 nan 8.240 nan 0.000 0.509 231 L N 2.639 123.884 121.223 0.036 0.000 2.322 231 L HA 0.792 5.132 4.340 -0.001 0.000 0.279 231 L C 0.826 177.351 176.870 -0.574 0.000 1.036 231 L CA -0.848 53.862 54.840 -0.216 0.000 0.807 231 L CB 1.602 43.553 42.059 -0.180 0.000 1.226 231 L HN 0.642 nan 8.230 nan 0.000 0.433 232 G N 1.104 109.143 108.800 -1.268 0.000 2.519 232 G HA2 0.624 4.583 3.960 -0.001 0.000 0.307 232 G HA3 0.624 4.583 3.960 -0.001 0.000 0.307 232 G C -1.863 172.216 174.900 -1.369 0.000 1.266 232 G CA -0.499 43.524 45.100 -1.794 0.000 0.970 232 G HN 0.384 nan 8.290 nan 0.000 0.481 233 V N 0.788 120.121 119.914 -0.968 0.000 2.808 233 V HA 0.569 4.689 4.120 -0.001 0.000 0.308 233 V C -1.696 174.139 176.094 -0.432 0.000 1.099 233 V CA -0.909 60.899 62.300 -0.820 0.000 0.920 233 V CB 2.175 33.420 31.823 -0.963 0.000 1.014 233 V HN 0.717 nan 8.190 nan 0.000 0.425 234 D N 7.684 127.912 120.400 -0.286 0.000 2.396 234 D HA 0.484 5.124 4.640 -0.001 0.000 0.225 234 D C -1.893 174.406 176.300 -0.001 0.000 1.121 234 D CA -2.060 51.875 54.000 -0.108 0.000 0.853 234 D CB 2.313 43.084 40.800 -0.048 0.000 1.043 234 D HN 0.386 nan 8.370 nan 0.000 0.500 235 P HA 0.038 nan 4.420 nan 0.000 0.237 235 P C 0.671 178.144 177.300 0.289 0.000 1.178 235 P CA 0.093 63.372 63.100 0.298 0.000 0.766 235 P CB -0.000 31.882 31.700 0.304 0.000 0.876 236 L N -1.989 119.352 121.223 0.198 0.000 3.781 236 L HA -0.258 4.082 4.340 -0.001 0.000 0.426 236 L C 1.118 178.275 176.870 0.478 0.000 1.197 236 L CA 0.403 55.454 54.840 0.352 0.000 0.907 236 L CB -2.626 39.596 42.059 0.272 0.000 1.812 236 L HN 0.353 nan 8.230 nan 0.000 0.956 237 G N -0.972 107.940 108.800 0.187 0.000 2.258 237 G HA2 -0.221 3.739 3.960 -0.001 0.000 0.274 237 G HA3 -0.221 3.739 3.960 -0.001 0.000 0.274 237 G C 0.674 175.668 174.900 0.157 0.000 1.021 237 G CA 0.570 45.736 45.100 0.109 0.000 0.798 237 G HN 0.988 nan 8.290 nan 0.000 0.507 238 G N -1.073 107.880 108.800 0.256 0.000 2.537 238 G HA2 0.621 4.580 3.960 -0.001 0.000 0.297 238 G HA3 0.621 4.580 3.960 -0.001 0.000 0.297 238 G C 1.278 176.128 174.900 -0.083 0.000 1.310 238 G CA 0.739 45.994 45.100 0.258 0.000 1.027 238 G HN 1.183 nan 8.290 nan 0.000 0.505 239 S N -1.823 113.766 115.700 -0.185 0.000 2.474 239 S HA 0.053 4.522 4.470 -0.001 0.000 0.235 239 S C 1.779 176.044 174.600 -0.559 0.000 0.997 239 S CA 1.105 59.131 58.200 -0.290 0.000 0.949 239 S CB 0.064 63.181 63.200 -0.138 0.000 0.766 239 S HN 0.921 nan 8.310 nan 0.000 0.517 240 G N 0.538 108.499 108.800 -1.398 0.000 3.393 240 G HA2 0.347 4.307 3.960 -0.001 0.000 0.255 240 G HA3 0.347 4.307 3.960 -0.001 0.000 0.255 240 G C 0.821 175.432 174.900 -0.481 0.000 1.097 240 G CA -0.137 44.144 45.100 -1.366 0.000 0.780 240 G HN 0.492 nan 8.290 nan 0.000 0.540 241 I N 0.047 120.509 120.570 -0.181 0.000 2.151 241 I HA -0.164 4.006 4.170 -0.001 0.000 0.243 241 I C 2.200 178.421 176.117 0.174 0.000 1.080 241 I CA 1.343 62.726 61.300 0.139 0.000 1.339 241 I CB 0.313 38.363 38.000 0.084 0.000 1.039 241 I HN 0.069 nan 8.210 nan 0.000 0.409 242 E N 0.103 120.380 120.200 0.129 0.000 2.268 242 E HA -0.203 4.146 4.350 -0.001 0.000 0.195 242 E C 1.967 178.607 176.600 0.067 0.000 0.995 242 E CA 1.073 57.530 56.400 0.096 0.000 0.836 242 E CB -0.330 29.394 29.700 0.040 0.000 0.763 242 E HN 0.626 nan 8.360 nan 0.000 0.491 243 Y N -0.514 119.727 120.300 -0.100 0.000 2.145 243 Y HA -0.188 4.362 4.550 -0.001 0.000 0.286 243 Y C 2.235 178.123 175.900 -0.021 0.000 1.145 243 Y CA 1.034 59.050 58.100 -0.140 0.000 1.148 243 Y CB -0.772 37.467 38.460 -0.368 0.000 0.981 243 Y HN 0.122 nan 8.280 nan 0.000 0.507 244 W N 0.543 122.018 121.300 0.291 0.000 2.358 244 W HA -0.182 4.478 4.660 -0.001 0.000 0.303 244 W C 2.342 178.974 176.519 0.187 0.000 1.208 244 W CA 1.094 58.595 57.345 0.260 0.000 1.274 244 W CB -0.225 29.390 29.460 0.259 0.000 1.138 244 W HN -0.080 nan 8.180 nan 0.000 0.515 245 K N -0.057 120.561 120.400 0.362 0.000 2.063 245 K HA -0.212 4.108 4.320 -0.001 0.000 0.208 245 K C 1.980 178.697 176.600 0.195 0.000 1.048 245 K CA 1.483 57.907 56.287 0.228 0.000 0.928 245 K CB -0.330 32.259 32.500 0.148 0.000 0.713 245 K HN -0.084 nan 8.250 nan 0.000 0.442 246 R N 1.430 122.022 120.500 0.154 0.000 2.092 246 R HA -0.000 4.339 4.340 -0.001 0.000 0.231 246 R C 1.945 178.373 176.300 0.213 0.000 1.119 246 R CA 1.099 57.266 56.100 0.111 0.000 0.970 246 R CB -0.360 29.932 30.300 -0.013 0.000 0.864 246 R HN 0.165 nan 8.270 nan 0.000 0.440 247 I N 0.059 120.813 120.570 0.307 0.000 2.179 247 I HA -0.261 3.909 4.170 -0.001 0.000 0.242 247 I C 2.287 178.680 176.117 0.460 0.000 1.088 247 I CA 1.404 62.983 61.300 0.465 0.000 1.357 247 I CB -0.447 37.850 38.000 0.495 0.000 1.051 247 I HN 0.274 nan 8.210 nan 0.000 0.409 248 A N 0.478 123.519 122.820 0.369 0.000 1.877 248 A HA -0.282 4.037 4.320 -0.001 0.000 0.216 248 A C 2.317 180.026 177.584 0.209 0.000 1.186 248 A CA 2.099 54.301 52.037 0.275 0.000 0.620 248 A CB -0.705 18.425 19.000 0.217 0.000 0.822 248 A HN 0.561 nan 8.150 nan 0.000 0.443 249 E N -1.060 119.249 120.200 0.180 0.000 2.017 249 E HA -0.310 4.039 4.350 -0.001 0.000 0.193 249 E C 1.953 178.607 176.600 0.090 0.000 0.997 249 E CA 1.593 58.064 56.400 0.118 0.000 0.804 249 E CB -0.428 29.332 29.700 0.101 0.000 0.757 249 E HN 0.757 nan 8.360 nan 0.000 0.448 250 H N -1.274 117.792 119.070 -0.006 0.000 2.387 250 H HA -0.125 4.431 4.556 -0.001 0.000 0.299 250 H C 0.905 176.061 175.328 -0.287 0.000 1.090 250 H CA 1.993 57.930 56.048 -0.186 0.000 1.332 250 H CB -0.014 29.558 29.762 -0.316 0.000 1.386 250 H HN 0.264 nan 8.280 nan 0.000 0.516 251 Y N -0.238 120.116 120.300 0.090 0.000 2.468 251 Y HA 0.237 4.786 4.550 -0.001 0.000 0.268 251 Y C 1.287 177.206 175.900 0.031 0.000 1.177 251 Y CA 0.516 58.642 58.100 0.042 0.000 1.265 251 Y CB -0.059 38.482 38.460 0.136 0.000 1.103 251 Y HN 0.259 nan 8.280 nan 0.000 0.522 252 K N 0.778 121.248 120.400 0.118 0.000 3.451 252 K HA -0.203 4.117 4.320 -0.001 0.000 0.273 252 K C -0.547 176.125 176.600 0.119 0.000 0.944 252 K CA 1.237 57.578 56.287 0.090 0.000 0.734 252 K CB -2.860 29.666 32.500 0.044 0.000 1.437 252 K HN 0.519 nan 8.250 nan 0.000 0.454 253 L N -0.185 121.131 121.223 0.155 0.000 2.360 253 L HA 0.419 4.759 4.340 -0.001 0.000 0.271 253 L C 0.990 177.922 176.870 0.103 0.000 1.057 253 L CA -1.216 53.707 54.840 0.139 0.000 0.803 253 L CB 1.687 43.854 42.059 0.180 0.000 1.207 253 L HN 0.485 nan 8.230 nan 0.000 0.445 254 N N 3.218 121.967 118.700 0.081 0.000 2.895 254 N HA 0.192 4.932 4.740 -0.001 0.000 0.277 254 N C -1.246 174.293 175.510 0.049 0.000 1.185 254 N CA 0.160 53.249 53.050 0.065 0.000 1.106 254 N CB -0.212 38.311 38.487 0.059 0.000 1.422 254 N HN 0.456 nan 8.380 nan 0.000 0.521 255 L N 1.836 123.085 121.223 0.044 0.000 2.342 255 L HA 0.458 4.797 4.340 -0.001 0.000 0.276 255 L C -0.795 176.054 176.870 -0.035 0.000 0.997 255 L CA -0.426 54.401 54.840 -0.021 0.000 0.838 255 L CB 1.348 43.441 42.059 0.056 0.000 1.224 255 L HN 0.135 nan 8.230 nan 0.000 0.416 256 T N 5.344 119.832 114.554 -0.111 0.000 2.771 256 T HA 0.451 4.801 4.350 -0.001 0.000 0.281 256 T C -0.322 174.281 174.700 -0.161 0.000 0.982 256 T CA -0.407 61.656 62.100 -0.060 0.000 0.978 256 T CB 1.219 70.129 68.868 0.070 0.000 0.930 256 T HN 0.231 nan 8.240 nan 0.000 0.447 257 L N 4.486 125.660 121.223 -0.081 0.000 2.313 257 L HA 0.172 4.512 4.340 -0.001 0.000 0.282 257 L C 1.721 178.551 176.870 -0.067 0.000 1.092 257 L CA 0.177 54.960 54.840 -0.095 0.000 0.831 257 L CB 0.873 42.919 42.059 -0.020 0.000 1.159 257 L HN 0.636 nan 8.230 nan 0.000 0.442 258 V N 0.947 120.805 119.914 -0.092 0.000 2.667 258 V HA 0.062 4.181 4.120 -0.001 0.000 0.252 258 V C 0.564 176.647 176.094 -0.018 0.000 1.065 258 V CA 1.241 63.531 62.300 -0.016 0.000 1.083 258 V CB -1.132 30.695 31.823 0.007 0.000 0.692 258 V HN 0.992 nan 8.190 nan 0.000 0.468 259 N N -0.448 118.217 118.700 -0.058 0.000 2.708 259 N HA 0.413 5.152 4.740 -0.001 0.000 0.257 259 N C -0.850 174.586 175.510 -0.123 0.000 1.373 259 N CA -0.078 52.920 53.050 -0.087 0.000 0.843 259 N CB 1.456 39.873 38.487 -0.118 0.000 1.503 259 N HN 0.132 nan 8.380 nan 0.000 0.504 260 D N -0.932 119.388 120.400 -0.133 0.000 2.623 260 D HA 0.052 4.692 4.640 -0.001 0.000 0.252 260 D C -0.649 175.541 176.300 -0.182 0.000 1.294 260 D CA -0.152 53.779 54.000 -0.114 0.000 0.824 260 D CB 0.002 40.773 40.800 -0.049 0.000 1.070 260 D HN 0.418 nan 8.370 nan 0.000 0.487 261 Q N 0.579 120.176 119.800 -0.340 0.000 2.311 261 Q HA 0.249 4.589 4.340 -0.001 0.000 0.272 261 Q C -0.263 175.487 176.000 -0.416 0.000 1.012 261 Q CA 0.053 55.604 55.803 -0.420 0.000 0.891 261 Q CB 2.240 30.556 28.738 -0.704 0.000 1.201 261 Q HN 0.079 nan 8.270 nan 0.000 0.391 262 V N 3.519 123.294 119.914 -0.232 0.000 2.443 262 V HA 0.306 4.426 4.120 -0.001 0.000 0.293 262 V C -0.608 175.383 176.094 -0.172 0.000 1.021 262 V CA -0.658 61.509 62.300 -0.221 0.000 0.848 262 V CB 1.916 33.640 31.823 -0.165 0.000 0.998 262 V HN 0.658 nan 8.190 nan 0.000 0.424 263 D N 3.124 123.379 120.400 -0.242 0.000 2.764 263 D HA 0.262 4.901 4.640 -0.001 0.000 0.227 263 D C 0.480 176.474 176.300 -0.510 0.000 1.347 263 D CA -0.418 53.459 54.000 -0.206 0.000 0.953 263 D CB 2.373 43.185 40.800 0.020 0.000 1.476 263 D HN 0.488 nan 8.370 nan 0.000 0.585 264 Q N 0.812 120.431 119.800 -0.301 0.000 2.437 264 Q HA -0.043 4.296 4.340 -0.001 0.000 0.210 264 Q C 1.583 177.556 176.000 -0.045 0.000 0.972 264 Q CA 1.406 57.079 55.803 -0.216 0.000 0.903 264 Q CB 0.265 28.979 28.738 -0.039 0.000 0.967 264 Q HN 0.616 nan 8.270 nan 0.000 0.486 265 T N -3.650 110.864 114.554 -0.067 0.000 3.065 265 T HA 0.012 4.362 4.350 -0.001 0.000 0.252 265 T C 0.446 175.193 174.700 0.078 0.000 1.099 265 T CA -0.307 61.815 62.100 0.037 0.000 1.063 265 T CB -0.218 68.650 68.868 -0.001 0.000 0.948 265 T HN 0.254 nan 8.240 nan 0.000 0.506 266 F N 1.890 121.712 119.950 -0.213 0.000 3.079 266 F HA -0.275 4.251 4.527 -0.001 0.000 0.274 266 F C 1.618 176.981 175.800 -0.729 0.000 0.940 266 F CA 0.615 58.260 58.000 -0.593 0.000 0.932 266 F CB -1.830 36.859 39.000 -0.518 0.000 0.891 266 F HN 0.379 nan 8.300 nan 0.000 0.722 267 R N 0.718 121.054 120.500 -0.272 0.000 2.189 267 R HA -0.146 4.194 4.340 -0.001 0.000 0.223 267 R C 1.914 178.116 176.300 -0.164 0.000 1.092 267 R CA 1.896 57.902 56.100 -0.157 0.000 0.989 267 R CB -0.886 29.390 30.300 -0.040 0.000 0.876 267 R HN 0.509 nan 8.270 nan 0.000 0.457 268 F N -0.231 119.720 119.950 0.002 0.000 2.604 268 F HA 0.263 4.789 4.527 -0.001 0.000 0.298 268 F C 0.737 176.542 175.800 0.008 0.000 1.131 268 F CA -0.596 57.401 58.000 -0.005 0.000 1.457 268 F CB -0.345 38.659 39.000 0.007 0.000 1.095 268 F HN -0.155 nan 8.300 nan 0.000 0.574 269 M N 1.819 121.172 119.600 -0.412 0.000 2.248 269 M HA 0.086 4.566 4.480 -0.001 0.000 0.337 269 M C 0.356 176.601 176.300 -0.092 0.000 1.121 269 M CA 0.172 55.386 55.300 -0.145 0.000 1.155 269 M CB -0.024 32.439 32.600 -0.228 0.000 1.514 269 M HN 0.196 nan 8.290 nan 0.000 0.452 270 H N 2.352 121.426 119.070 0.008 0.000 2.511 270 H HA 0.344 4.900 4.556 -0.001 0.000 0.346 270 H C -0.278 175.041 175.328 -0.014 0.000 1.128 270 H CA -0.503 55.550 56.048 0.008 0.000 1.342 270 H CB 0.893 30.670 29.762 0.025 0.000 1.470 270 H HN 0.496 nan 8.280 nan 0.000 0.546 271 L N 2.099 123.367 121.223 0.074 0.000 2.461 271 L HA -0.019 4.321 4.340 -0.001 0.000 0.272 271 L C 1.031 177.927 176.870 0.044 0.000 1.197 271 L CA -0.028 54.829 54.840 0.029 0.000 0.836 271 L CB 0.209 42.283 42.059 0.025 0.000 1.105 271 L HN 0.583 nan 8.230 nan 0.000 0.477 272 D N 1.270 121.672 120.400 0.003 0.000 2.414 272 D HA 0.141 4.780 4.640 -0.001 0.000 0.251 272 D C 1.098 177.409 176.300 0.019 0.000 1.252 272 D CA 0.425 54.429 54.000 0.006 0.000 0.999 272 D CB 1.038 41.831 40.800 -0.012 0.000 1.093 272 D HN 0.472 nan 8.370 nan 0.000 0.515 273 K N 0.420 120.832 120.400 0.021 0.000 2.160 273 K HA -0.174 4.145 4.320 -0.001 0.000 0.206 273 K C 1.071 177.706 176.600 0.059 0.000 1.047 273 K CA 2.323 58.634 56.287 0.039 0.000 0.930 273 K CB -0.765 31.748 32.500 0.022 0.000 0.720 273 K HN 0.693 nan 8.250 nan 0.000 0.450 274 D N -2.834 117.570 120.400 0.007 0.000 2.368 274 D HA 0.227 4.867 4.640 -0.001 0.000 0.218 274 D C 1.065 177.222 176.300 -0.238 0.000 1.112 274 D CA 0.608 54.588 54.000 -0.034 0.000 0.834 274 D CB -0.190 40.583 40.800 -0.045 0.000 0.953 274 D HN 0.646 nan 8.370 nan 0.000 0.505 275 G N -0.241 108.400 108.800 -0.265 0.000 2.179 275 G HA2 -0.164 3.795 3.960 -0.001 0.000 0.260 275 G HA3 -0.164 3.795 3.960 -0.001 0.000 0.260 275 G C 0.487 175.205 174.900 -0.304 0.000 0.977 275 G CA 0.231 45.000 45.100 -0.553 0.000 0.641 275 G HN 0.841 nan 8.290 nan 0.000 0.533 276 A N -0.503 122.205 122.820 -0.187 0.000 2.269 276 A HA 0.816 5.135 4.320 -0.001 0.000 0.319 276 A C 0.353 177.876 177.584 -0.101 0.000 1.110 276 A CA -0.576 51.381 52.037 -0.132 0.000 0.847 276 A CB 0.679 19.614 19.000 -0.109 0.000 1.161 276 A HN 0.700 nan 8.150 nan 0.000 0.497 277 I N 1.334 121.842 120.570 -0.104 0.000 2.308 277 I HA 0.312 4.481 4.170 -0.001 0.000 0.293 277 I C 0.553 176.584 176.117 -0.142 0.000 1.078 277 I CA 0.250 61.479 61.300 -0.120 0.000 1.292 277 I CB 0.239 38.160 38.000 -0.132 0.000 1.423 277 I HN 0.630 nan 8.210 nan 0.000 0.493 278 R N 6.148 126.583 120.500 -0.108 0.000 2.532 278 R HA 0.465 4.805 4.340 -0.001 0.000 0.297 278 R C -0.912 175.356 176.300 -0.055 0.000 0.984 278 R CA -0.882 55.173 56.100 -0.076 0.000 0.884 278 R CB 1.364 31.662 30.300 -0.003 0.000 1.182 278 R HN 0.411 nan 8.270 nan 0.000 0.442 279 M N 3.316 122.878 119.600 -0.063 0.000 3.652 279 M HA 0.167 4.646 4.480 -0.001 0.000 0.208 279 M C -0.703 175.594 176.300 -0.005 0.000 1.307 279 M CA -0.069 55.211 55.300 -0.033 0.000 1.524 279 M CB -0.020 32.531 32.600 -0.081 0.000 1.067 279 M HN 0.289 nan 8.290 nan 0.000 0.590 280 D N -0.295 120.072 120.400 -0.056 0.000 2.380 280 D HA 0.127 4.766 4.640 -0.001 0.000 0.230 280 D C 0.998 177.207 176.300 -0.151 0.000 1.154 280 D CA -0.341 53.532 54.000 -0.212 0.000 0.859 280 D CB 0.842 41.519 40.800 -0.205 0.000 1.045 280 D HN 0.642 nan 8.370 nan 0.000 0.495 281 C N 1.882 121.084 119.300 -0.162 0.000 2.449 281 C HA -0.002 4.457 4.460 -0.001 0.000 0.283 281 C C 1.885 176.803 174.990 -0.119 0.000 1.453 281 C CA 0.446 59.397 59.018 -0.111 0.000 1.779 281 C CB -1.518 26.160 27.740 -0.102 0.000 1.779 281 C HN 0.536 nan 8.230 nan 0.000 0.546 282 S N -0.113 115.493 115.700 -0.157 0.000 2.540 282 S HA 0.163 4.633 4.470 -0.001 0.000 0.218 282 S C 0.518 175.055 174.600 -0.105 0.000 0.977 282 S CA 0.388 58.507 58.200 -0.135 0.000 0.918 282 S CB -0.394 62.710 63.200 -0.160 0.000 0.806 282 S HN 0.602 nan 8.310 nan 0.000 0.496 283 S N 1.804 117.447 115.700 -0.095 0.000 2.438 283 S HA 0.307 4.776 4.470 -0.001 0.000 0.293 283 S C 0.181 174.750 174.600 -0.051 0.000 1.141 283 S CA -0.584 57.577 58.200 -0.065 0.000 1.080 283 S CB 0.437 63.605 63.200 -0.052 0.000 0.978 283 S HN 0.471 nan 8.310 nan 0.000 0.479 287 M N 0.894 120.476 119.600 -0.029 0.000 2.505 287 M HA 0.291 4.771 4.480 -0.001 0.000 0.230 287 M C 1.829 178.057 176.300 -0.120 0.000 1.153 287 M CA 0.891 56.160 55.300 -0.053 0.000 0.997 287 M CB -0.526 32.042 32.600 -0.053 0.000 1.606 287 M HN 0.599 nan 8.290 nan 0.000 0.481 288 A N 0.521 123.220 122.820 -0.202 0.000 1.972 288 A HA -0.005 4.315 4.320 -0.001 0.000 0.219 288 A C 2.295 179.591 177.584 -0.481 0.000 1.169 288 A CA 1.931 53.766 52.037 -0.337 0.000 0.635 288 A CB -1.034 17.738 19.000 -0.379 0.000 0.810 288 A HN 0.508 nan 8.150 nan 0.000 0.446 289 G N -0.190 108.256 108.800 -0.591 0.000 2.421 289 G HA2 -0.149 3.811 3.960 -0.001 0.000 0.216 289 G HA3 -0.149 3.811 3.960 -0.001 0.000 0.216 289 G C 1.471 176.321 174.900 -0.084 0.000 1.171 289 G CA 1.268 46.207 45.100 -0.267 0.000 0.775 289 G HN 0.508 nan 8.290 nan 0.000 0.543 290 L N 0.315 121.499 121.223 -0.065 0.000 2.131 290 L HA 0.277 4.616 4.340 -0.001 0.000 0.206 290 L C 2.621 179.480 176.870 -0.018 0.000 1.087 290 L CA 1.092 55.916 54.840 -0.027 0.000 0.767 290 L CB -0.436 41.588 42.059 -0.059 0.000 0.917 290 L HN 0.185 nan 8.230 nan 0.000 0.441 291 L N -0.270 120.919 121.223 -0.056 0.000 2.131 291 L HA -0.163 4.177 4.340 -0.001 0.000 0.210 291 L C 2.563 179.411 176.870 -0.037 0.000 1.092 291 L CA 1.092 55.906 54.840 -0.045 0.000 0.759 291 L CB -0.856 41.166 42.059 -0.062 0.000 0.903 291 L HN 0.370 nan 8.230 nan 0.000 0.435 292 A N -0.372 122.416 122.820 -0.053 0.000 2.125 292 A HA -0.060 4.260 4.320 -0.001 0.000 0.219 292 A C 1.920 179.491 177.584 -0.022 0.000 1.156 292 A CA 1.109 53.124 52.037 -0.036 0.000 0.671 292 A CB -0.420 18.558 19.000 -0.036 0.000 0.794 292 A HN 0.458 nan 8.150 nan 0.000 0.459 293 L N -0.729 120.496 121.223 0.003 0.000 2.769 293 L HA 0.113 4.453 4.340 -0.001 0.000 0.240 293 L C 2.139 179.009 176.870 0.001 0.000 1.163 293 L CA 0.099 54.939 54.840 -0.001 0.000 0.962 293 L CB -0.057 42.063 42.059 0.103 0.000 1.258 293 L HN 0.494 nan 8.230 nan 0.000 0.513 294 R N 0.213 120.726 120.500 0.021 0.000 2.193 294 R HA -0.149 4.190 4.340 -0.001 0.000 0.229 294 R C 1.205 177.496 176.300 -0.015 0.000 1.110 294 R CA 1.552 57.684 56.100 0.053 0.000 0.988 294 R CB -0.619 29.694 30.300 0.022 0.000 0.871 294 R HN 0.409 nan 8.270 nan 0.000 0.458 295 D N 1.271 121.625 120.400 -0.077 0.000 2.371 295 D HA -0.112 4.528 4.640 -0.001 0.000 0.221 295 D C 0.715 176.895 176.300 -0.199 0.000 0.986 295 D CA 0.520 54.459 54.000 -0.103 0.000 0.899 295 D CB 0.036 40.785 40.800 -0.086 0.000 0.902 295 D HN 0.250 nan 8.370 nan 0.000 0.530 296 K N -0.017 120.148 120.400 -0.391 0.000 2.400 296 K HA 0.125 4.444 4.320 -0.001 0.000 0.194 296 K C 0.011 176.123 176.600 -0.814 0.000 1.033 296 K CA 0.051 55.928 56.287 -0.683 0.000 1.021 296 K CB 0.147 32.043 32.500 -1.008 0.000 0.808 296 K HN 0.183 nan 8.250 nan 0.000 0.505 297 F N 0.790 120.693 119.950 -0.078 0.000 2.563 297 F HA 0.288 4.814 4.527 -0.001 0.000 0.316 297 F C 1.188 176.943 175.800 -0.075 0.000 1.076 297 F CA -1.386 56.557 58.000 -0.094 0.000 0.921 297 F CB 1.332 40.243 39.000 -0.147 0.000 1.209 297 F HN -0.245 nan 8.300 nan 0.000 0.462 298 D N 0.824 121.301 120.400 0.129 0.000 2.178 298 D HA -0.041 4.599 4.640 -0.001 0.000 0.201 298 D C 0.030 176.364 176.300 0.057 0.000 0.980 298 D CA 1.714 55.753 54.000 0.065 0.000 0.842 298 D CB 0.400 41.230 40.800 0.050 0.000 0.948 298 D HN 0.240 nan 8.370 nan 0.000 0.472 299 L N -1.004 120.247 121.223 0.047 0.000 2.592 299 L HA 0.519 4.859 4.340 -0.001 0.000 0.258 299 L C -1.940 174.795 176.870 -0.226 0.000 0.926 299 L CA -0.467 54.357 54.840 -0.027 0.000 0.885 299 L CB 1.923 43.990 42.059 0.014 0.000 1.380 299 L HN -0.118 nan 8.230 nan 0.000 0.415 300 A N 2.877 125.516 122.820 -0.301 0.000 2.532 300 A HA 1.007 5.327 4.320 -0.001 0.000 0.290 300 A C -1.550 175.708 177.584 -0.544 0.000 1.143 300 A CA -0.335 51.281 52.037 -0.702 0.000 0.728 300 A CB 1.466 20.121 19.000 -0.574 0.000 1.317 300 A HN 1.002 nan 8.150 nan 0.000 0.414 301 F N -2.878 116.867 119.950 -0.342 0.000 2.779 301 F HA 0.922 5.449 4.527 -0.001 0.000 0.316 301 F C -0.308 175.335 175.800 -0.263 0.000 1.164 301 F CA -0.880 56.962 58.000 -0.263 0.000 0.924 301 F CB 1.029 39.895 39.000 -0.223 0.000 1.348 301 F HN 1.260 nan 8.300 nan 0.000 0.467 302 A N 0.777 123.680 122.820 0.138 0.000 2.602 302 A HA 0.852 5.172 4.320 -0.001 0.000 0.290 302 A C -2.002 175.591 177.584 0.015 0.000 1.114 302 A CA -0.971 51.094 52.037 0.046 0.000 0.683 302 A CB 1.831 20.826 19.000 -0.010 0.000 1.281 302 A HN 0.918 nan 8.150 nan 0.000 0.416 303 N N 0.255 118.879 118.700 -0.126 0.000 2.329 303 N HA 0.506 5.246 4.740 -0.001 0.000 0.282 303 N C -1.582 173.766 175.510 -0.271 0.000 1.198 303 N CA -0.766 52.069 53.050 -0.358 0.000 0.790 303 N CB 1.654 39.486 38.487 -1.092 0.000 1.579 303 N HN 0.791 nan 8.380 nan 0.000 0.475 304 D N 0.036 120.332 120.400 -0.173 0.000 2.384 304 D HA 0.144 4.784 4.640 -0.001 0.000 0.244 304 D C -1.940 174.432 176.300 0.119 0.000 1.251 304 D CA -1.520 52.470 54.000 -0.017 0.000 0.961 304 D CB 0.090 40.887 40.800 -0.005 0.000 1.116 304 D HN 0.215 nan 8.370 nan 0.000 0.484 305 P HA -0.069 nan 4.420 nan 0.000 0.220 305 P C 0.484 177.963 177.300 0.298 0.000 1.148 305 P CA 1.192 64.463 63.100 0.284 0.000 0.803 305 P CB 0.022 31.854 31.700 0.221 0.000 0.782 306 D N -3.419 117.114 120.400 0.223 0.000 2.340 306 D HA -0.097 4.543 4.640 -0.001 0.000 0.220 306 D C 0.122 176.538 176.300 0.194 0.000 1.039 306 D CA -0.391 53.700 54.000 0.151 0.000 0.866 306 D CB -0.990 39.855 40.800 0.075 0.000 0.913 306 D HN 0.084 nan 8.370 nan 0.000 0.523 307 Y N 0.883 121.165 120.300 -0.031 0.000 4.079 307 Y HA -0.242 4.308 4.550 -0.001 0.000 0.223 307 Y C 0.840 176.709 175.900 -0.051 0.000 1.155 307 Y CA 0.484 58.553 58.100 -0.052 0.000 1.805 307 Y CB -2.158 36.197 38.460 -0.174 0.000 1.571 307 Y HN 0.304 nan 8.280 nan 0.000 0.654 308 D N -1.104 119.317 120.400 0.036 0.000 2.367 308 D HA 0.112 4.752 4.640 -0.001 0.000 0.207 308 D C 0.710 177.010 176.300 0.000 0.000 1.034 308 D CA 0.333 54.326 54.000 -0.012 0.000 0.861 308 D CB 0.235 40.992 40.800 -0.073 0.000 0.943 308 D HN 0.399 nan 8.370 nan 0.000 0.515 309 R N -0.075 120.420 120.500 -0.009 0.000 2.892 309 R HA 0.473 4.813 4.340 -0.001 0.000 0.265 309 R C -0.294 176.005 176.300 -0.002 0.000 1.025 309 R CA -0.829 55.251 56.100 -0.032 0.000 0.982 309 R CB 1.605 31.834 30.300 -0.119 0.000 1.185 309 R HN 0.254 nan 8.270 nan 0.000 0.484 310 H N -1.438 117.623 119.070 -0.014 0.000 2.851 310 H HA 0.585 5.140 4.556 -0.001 0.000 0.372 310 H C -1.027 174.291 175.328 -0.017 0.000 1.158 310 H CA -1.174 54.869 56.048 -0.008 0.000 1.159 310 H CB 2.144 31.935 29.762 0.049 0.000 1.757 310 H HN 0.772 nan 8.280 nan 0.000 0.546 311 G N 2.495 111.322 108.800 0.045 0.000 2.530 311 G HA2 0.488 4.448 3.960 -0.001 0.000 0.316 311 G HA3 0.488 4.448 3.960 -0.001 0.000 0.316 311 G C -0.930 173.990 174.900 0.033 0.000 1.298 311 G CA -0.661 44.437 45.100 -0.005 0.000 0.948 311 G HN 0.473 nan 8.290 nan 0.000 0.486 312 I N 2.537 123.082 120.570 -0.041 0.000 2.362 312 I HA 0.364 4.533 4.170 -0.001 0.000 0.289 312 I C -0.195 175.880 176.117 -0.070 0.000 0.994 312 I CA -1.037 60.205 61.300 -0.097 0.000 1.158 312 I CB 1.231 38.998 38.000 -0.389 0.000 1.315 312 I HN 0.041 nan 8.210 nan 0.000 0.451 313 V N 5.853 125.737 119.914 -0.048 0.000 2.555 313 V HA 0.652 4.772 4.120 -0.001 0.000 0.302 313 V C 0.424 176.501 176.094 -0.029 0.000 1.038 313 V CA -0.384 61.888 62.300 -0.046 0.000 0.887 313 V CB 2.164 33.950 31.823 -0.061 0.000 0.991 313 V HN 0.948 nan 8.190 nan 0.000 0.434 314 T N 1.974 116.524 114.554 -0.007 0.000 2.858 314 T HA 0.515 4.864 4.350 -0.001 0.000 0.285 314 T C -2.350 172.360 174.700 0.017 0.000 1.052 314 T CA -2.122 59.986 62.100 0.013 0.000 1.009 314 T CB 2.075 70.958 68.868 0.025 0.000 1.241 314 T HN 0.316 nan 8.240 nan 0.000 0.542 315 P HA 0.062 nan 4.420 nan 0.000 0.223 315 P C 1.286 178.590 177.300 0.006 0.000 1.144 315 P CA 1.093 64.198 63.100 0.008 0.000 0.783 315 P CB -0.264 31.437 31.700 0.001 0.000 0.771 316 A N -1.367 121.462 122.820 0.014 0.000 2.067 316 A HA 0.429 4.748 4.320 -0.001 0.000 0.217 316 A C 1.247 178.837 177.584 0.010 0.000 1.156 316 A CA 1.344 53.391 52.037 0.017 0.000 0.683 316 A CB -0.720 18.300 19.000 0.033 0.000 0.808 316 A HN 0.340 nan 8.150 nan 0.000 0.455 317 G N -1.964 106.838 108.800 0.003 0.000 2.315 317 G HA2 0.284 4.243 3.960 -0.001 0.000 0.296 317 G HA3 0.284 4.243 3.960 -0.001 0.000 0.296 317 G C -1.085 173.804 174.900 -0.018 0.000 1.289 317 G CA -0.376 44.718 45.100 -0.009 0.000 0.996 317 G HN 0.895 nan 8.290 nan 0.000 0.487 318 L N 1.482 122.686 121.223 -0.032 0.000 2.313 318 L HA 0.686 5.026 4.340 -0.001 0.000 0.282 318 L C 1.095 177.933 176.870 -0.054 0.000 1.092 318 L CA -0.254 54.558 54.840 -0.046 0.000 0.831 318 L CB 0.446 42.472 42.059 -0.056 0.000 1.159 318 L HN 0.595 nan 8.230 nan 0.000 0.442 319 M N 4.408 123.976 119.600 -0.054 0.000 2.249 319 M HA 0.054 4.534 4.480 -0.001 0.000 0.340 319 M C 0.553 176.783 176.300 -0.117 0.000 1.166 319 M CA 0.180 55.446 55.300 -0.056 0.000 1.115 319 M CB 0.101 32.690 32.600 -0.017 0.000 1.606 319 M HN 0.652 nan 8.290 nan 0.000 0.448 320 N N 3.776 122.326 118.700 -0.249 0.000 2.468 320 N HA 0.047 4.787 4.740 -0.001 0.000 0.265 320 N C -2.081 173.289 175.510 -0.233 0.000 1.199 320 N CA -1.086 51.727 53.050 -0.396 0.000 0.928 320 N CB 1.170 39.065 38.487 -0.987 0.000 1.059 320 N HN 0.288 nan 8.380 nan 0.000 0.467 321 P HA -0.100 nan 4.420 nan 0.000 0.216 321 P C 0.986 178.325 177.300 0.066 0.000 1.150 321 P CA 1.034 64.138 63.100 0.006 0.000 0.837 321 P CB 0.310 31.983 31.700 -0.045 0.000 0.786 322 N N -1.167 117.510 118.700 -0.039 0.000 2.069 322 N HA -0.173 4.567 4.740 -0.001 0.000 0.191 322 N C 1.747 177.358 175.510 0.168 0.000 1.031 322 N CA 1.288 54.370 53.050 0.054 0.000 0.852 322 N CB -0.834 37.645 38.487 -0.015 0.000 1.018 322 N HN 0.426 nan 8.380 nan 0.000 0.423 323 H N -1.527 117.461 119.070 -0.137 0.000 2.319 323 H HA -0.184 4.372 4.556 -0.001 0.000 0.299 323 H C 1.733 177.092 175.328 0.051 0.000 1.092 323 H CA 1.269 57.122 56.048 -0.325 0.000 1.302 323 H CB -0.115 29.098 29.762 -0.915 0.000 1.373 323 H HN 0.245 nan 8.280 nan 0.000 0.497 324 Y N 1.772 122.141 120.300 0.115 0.000 2.200 324 Y HA -0.183 4.367 4.550 -0.001 0.000 0.290 324 Y C 2.292 178.293 175.900 0.167 0.000 1.137 324 Y CA 0.918 59.107 58.100 0.148 0.000 1.163 324 Y CB -0.562 37.995 38.460 0.162 0.000 0.988 324 Y HN 0.067 nan 8.280 nan 0.000 0.518 325 L N -0.483 120.784 121.223 0.072 0.000 2.012 325 L HA -0.290 4.049 4.340 -0.001 0.000 0.210 325 L C 2.760 179.558 176.870 -0.120 0.000 1.073 325 L CA 1.450 56.293 54.840 0.004 0.000 0.748 325 L CB -1.157 41.006 42.059 0.174 0.000 0.891 325 L HN 0.311 nan 8.230 nan 0.000 0.431 326 A N -0.415 122.424 122.820 0.032 0.000 1.908 326 A HA -0.156 4.164 4.320 -0.001 0.000 0.218 326 A C 2.322 179.908 177.584 0.004 0.000 1.181 326 A CA 1.880 53.944 52.037 0.044 0.000 0.627 326 A CB -0.817 18.309 19.000 0.210 0.000 0.818 326 A HN 0.217 nan 8.150 nan 0.000 0.445 327 V N -0.221 119.728 119.914 0.058 0.000 2.358 327 V HA -0.227 3.892 4.120 -0.001 0.000 0.246 327 V C 3.063 179.069 176.094 -0.147 0.000 1.047 327 V CA 1.874 64.195 62.300 0.035 0.000 1.035 327 V CB -1.250 30.682 31.823 0.183 0.000 0.658 327 V HN 0.625 nan 8.190 nan 0.000 0.452 328 A N 0.034 122.623 122.820 -0.385 0.000 1.883 328 A HA -0.210 4.110 4.320 -0.001 0.000 0.217 328 A C 2.182 179.526 177.584 -0.400 0.000 1.186 328 A CA 2.145 53.895 52.037 -0.478 0.000 0.624 328 A CB -0.574 18.022 19.000 -0.673 0.000 0.822 328 A HN 0.505 nan 8.150 nan 0.000 0.444 329 I N -0.433 119.828 120.570 -0.516 0.000 2.179 329 I HA -0.263 3.907 4.170 -0.001 0.000 0.242 329 I C 2.440 178.531 176.117 -0.042 0.000 1.088 329 I CA 1.682 62.759 61.300 -0.371 0.000 1.357 329 I CB -0.462 37.256 38.000 -0.471 0.000 1.051 329 I HN 0.409 nan 8.210 nan 0.000 0.409 330 N N 0.406 119.071 118.700 -0.059 0.000 2.094 330 N HA -0.294 4.445 4.740 -0.001 0.000 0.191 330 N C 1.886 177.427 175.510 0.052 0.000 1.023 330 N CA 1.706 54.769 53.050 0.023 0.000 0.857 330 N CB -0.313 38.205 38.487 0.052 0.000 1.013 330 N HN 0.423 nan 8.380 nan 0.000 0.426 331 Y N 0.460 120.694 120.300 -0.110 0.000 2.153 331 Y HA 0.015 4.564 4.550 -0.001 0.000 0.289 331 Y C 2.049 177.910 175.900 -0.064 0.000 1.127 331 Y CA 1.352 59.383 58.100 -0.115 0.000 1.131 331 Y CB -0.416 37.852 38.460 -0.319 0.000 0.995 331 Y HN 0.056 nan 8.280 nan 0.000 0.505 332 L N -0.933 120.195 121.223 -0.159 0.000 2.012 332 L HA -0.256 4.083 4.340 -0.001 0.000 0.210 332 L C 2.142 178.662 176.870 -0.583 0.000 1.073 332 L CA 1.620 56.188 54.840 -0.452 0.000 0.748 332 L CB -0.673 41.097 42.059 -0.480 0.000 0.891 332 L HN 0.207 nan 8.230 nan 0.000 0.431 333 F N -0.523 119.290 119.950 -0.228 0.000 2.699 333 F HA -0.129 4.398 4.527 -0.001 0.000 0.298 333 F C 2.270 177.949 175.800 -0.202 0.000 1.154 333 F CA 0.778 58.693 58.000 -0.142 0.000 1.457 333 F CB -0.182 38.804 39.000 -0.023 0.000 1.106 333 F HN 0.165 nan 8.300 nan 0.000 0.585 334 Q N -1.701 117.995 119.800 -0.173 0.000 2.282 334 Q HA 0.070 4.410 4.340 -0.001 0.000 0.206 334 Q C 0.030 175.617 176.000 -0.688 0.000 0.878 334 Q CA 0.364 55.967 55.803 -0.334 0.000 0.944 334 Q CB 0.280 28.848 28.738 -0.284 0.000 1.100 334 Q HN 0.494 nan 8.270 nan 0.000 0.509 335 H N -0.570 118.163 119.070 -0.563 0.000 2.665 335 H HA 0.286 4.841 4.556 -0.001 0.000 0.248 335 H C -0.621 174.405 175.328 -0.503 0.000 1.175 335 H CA -0.194 55.517 56.048 -0.563 0.000 0.952 335 H CB 0.731 29.935 29.762 -0.931 0.000 1.883 335 H HN -0.173 nan 8.280 nan 0.000 0.623 336 R N 1.215 121.403 120.500 -0.521 0.000 2.687 336 R HA 0.174 4.513 4.340 -0.001 0.000 0.264 336 R C -2.306 173.734 176.300 -0.434 0.000 1.715 336 R CA -1.335 54.343 56.100 -0.704 0.000 1.633 336 R CB 0.798 30.029 30.300 -1.782 0.000 1.353 336 R HN 0.224 nan 8.270 nan 0.000 0.653 337 P HA -0.076 nan 4.420 nan 0.000 0.222 337 P C 1.113 178.409 177.300 -0.007 0.000 1.147 337 P CA 0.754 63.792 63.100 -0.103 0.000 0.790 337 P CB 0.420 32.066 31.700 -0.090 0.000 0.780 338 L N -2.778 118.459 121.223 0.023 0.000 2.478 338 L HA 0.024 4.363 4.340 -0.001 0.000 0.223 338 L C 0.872 177.920 176.870 0.297 0.000 1.140 338 L CA 0.018 54.944 54.840 0.142 0.000 0.842 338 L CB -0.655 41.505 42.059 0.168 0.000 0.953 338 L HN -0.045 nan 8.230 nan 0.000 0.452 339 W N 1.728 123.042 121.300 0.023 0.000 2.308 339 W HA 0.289 4.949 4.660 -0.001 0.000 0.324 339 W C 1.059 177.606 176.519 0.047 0.000 1.387 339 W CA -1.078 56.282 57.345 0.025 0.000 1.250 339 W CB -0.367 29.076 29.460 -0.029 0.000 1.257 339 W HN -0.098 nan 8.180 nan 0.000 0.554 340 G N 1.805 110.751 108.800 0.242 0.000 2.614 340 G HA2 0.330 4.289 3.960 -0.001 0.000 0.239 340 G HA3 0.330 4.289 3.960 -0.001 0.000 0.239 340 G C 1.032 176.037 174.900 0.175 0.000 1.240 340 G CA 0.146 45.344 45.100 0.162 0.000 0.842 340 G HN 0.621 nan 8.290 nan 0.000 0.584 341 K N 0.124 120.600 120.400 0.127 0.000 2.152 341 K HA -0.144 4.175 4.320 -0.001 0.000 0.206 341 K C 1.908 178.578 176.600 0.115 0.000 1.048 341 K CA 2.195 58.551 56.287 0.116 0.000 0.933 341 K CB -0.648 31.897 32.500 0.074 0.000 0.721 341 K HN 0.800 nan 8.250 nan 0.000 0.447 342 D N -0.157 120.305 120.400 0.104 0.000 2.317 342 D HA -0.032 4.608 4.640 -0.001 0.000 0.211 342 D C 0.434 176.810 176.300 0.126 0.000 0.966 342 D CA 0.206 54.263 54.000 0.094 0.000 0.876 342 D CB -0.789 40.055 40.800 0.074 0.000 0.927 342 D HN 0.196 nan 8.370 nan 0.000 0.519 343 V N 1.340 121.355 119.914 0.169 0.000 2.557 343 V HA 0.295 4.415 4.120 -0.001 0.000 0.301 343 V C 0.937 177.190 176.094 0.266 0.000 1.026 343 V CA -0.043 62.377 62.300 0.200 0.000 1.137 343 V CB 0.380 32.311 31.823 0.181 0.000 0.917 343 V HN 0.418 nan 8.190 nan 0.000 0.484 344 A N 5.412 128.363 122.820 0.218 0.000 2.288 344 A HA 0.854 5.173 4.320 -0.001 0.000 0.328 344 A C -0.613 176.956 177.584 -0.025 0.000 1.123 344 A CA -0.627 51.446 52.037 0.059 0.000 0.861 344 A CB 1.539 20.566 19.000 0.045 0.000 1.272 344 A HN 0.621 nan 8.150 nan 0.000 0.490 345 V N 0.834 120.587 119.914 -0.269 0.000 2.357 345 V HA 0.565 4.684 4.120 -0.001 0.000 0.284 345 V C 0.801 176.685 176.094 -0.350 0.000 1.018 345 V CA -0.205 61.925 62.300 -0.284 0.000 0.841 345 V CB 1.065 32.612 31.823 -0.461 0.000 0.991 345 V HN 1.106 nan 8.190 nan 0.000 0.437 346 G N 3.784 112.344 108.800 -0.400 0.000 2.372 346 G HA2 0.585 4.545 3.960 -0.001 0.000 0.283 346 G HA3 0.585 4.545 3.960 -0.001 0.000 0.283 346 G C -0.636 174.179 174.900 -0.141 0.000 1.177 346 G CA -0.363 44.475 45.100 -0.436 0.000 0.842 346 G HN 0.646 nan 8.290 nan 0.000 0.503 347 K N 0.991 121.472 120.400 0.135 0.000 2.525 347 K HA 0.467 4.787 4.320 -0.001 0.000 0.254 347 K C -0.094 176.638 176.600 0.220 0.000 0.934 347 K CA -0.609 55.781 56.287 0.171 0.000 0.802 347 K CB 1.877 34.380 32.500 0.006 0.000 1.295 347 K HN 0.626 nan 8.250 nan 0.000 0.433 348 T N 0.871 115.567 114.554 0.238 0.000 2.899 348 T HA 0.191 4.540 4.350 -0.001 0.000 0.284 348 T C 1.623 176.284 174.700 -0.064 0.000 1.004 348 T CA -0.745 61.395 62.100 0.067 0.000 1.043 348 T CB 0.750 69.674 68.868 0.093 0.000 1.013 348 T HN 0.697 nan 8.240 nan 0.000 0.518 349 L N 1.404 122.536 121.223 -0.151 0.000 2.362 349 L HA 0.098 4.438 4.340 -0.001 0.000 0.219 349 L C 1.789 178.447 176.870 -0.352 0.000 1.134 349 L CA 1.050 55.735 54.840 -0.258 0.000 0.807 349 L CB -0.555 41.362 42.059 -0.237 0.000 0.927 349 L HN 0.612 nan 8.230 nan 0.000 0.447 350 V N -3.685 116.105 119.914 -0.208 0.000 3.647 350 V HA 0.309 4.428 4.120 -0.001 0.000 0.279 350 V C 1.023 177.261 176.094 0.241 0.000 1.314 350 V CA -0.269 61.988 62.300 -0.071 0.000 1.125 350 V CB -0.692 30.891 31.823 -0.400 0.000 0.907 350 V HN 0.327 nan 8.190 nan 0.000 0.434 351 S N 1.136 116.891 115.700 0.091 0.000 2.614 351 S HA 0.369 4.838 4.470 -0.001 0.000 0.265 351 S C 0.443 175.237 174.600 0.323 0.000 1.303 351 S CA 0.225 58.546 58.200 0.202 0.000 1.000 351 S CB 1.270 64.549 63.200 0.131 0.000 0.935 351 S HN 0.669 nan 8.310 nan 0.000 0.551 352 S N 0.704 116.630 115.700 0.375 0.000 2.560 352 S HA 0.189 4.659 4.470 -0.001 0.000 0.284 352 S C 1.066 175.900 174.600 0.390 0.000 1.327 352 S CA -0.278 58.238 58.200 0.527 0.000 1.055 352 S CB 0.348 63.794 63.200 0.410 0.000 0.868 352 S HN 0.790 nan 8.310 nan 0.000 0.506 353 A N 4.977 128.135 122.820 0.563 0.000 2.239 353 A HA 0.045 4.365 4.320 -0.001 0.000 0.209 353 A C 1.729 179.448 177.584 0.225 0.000 1.171 353 A CA 0.826 53.045 52.037 0.305 0.000 0.768 353 A CB -0.586 18.629 19.000 0.359 0.000 0.790 353 A HN 0.906 nan 8.150 nan 0.000 0.478 354 M N -0.095 119.776 119.600 0.450 0.000 2.213 354 M HA -0.045 4.434 4.480 -0.001 0.000 0.263 354 M C 1.604 177.915 176.300 0.018 0.000 1.062 354 M CA 1.538 57.017 55.300 0.299 0.000 1.105 354 M CB -0.579 32.266 32.600 0.409 0.000 1.385 354 M HN 0.444 nan 8.290 nan 0.000 0.417 355 I N 0.075 120.675 120.570 0.051 0.000 2.127 355 I HA -0.339 3.830 4.170 -0.001 0.000 0.241 355 I C 1.672 177.703 176.117 -0.142 0.000 1.075 355 I CA 1.654 62.925 61.300 -0.049 0.000 1.334 355 I CB -0.853 37.136 38.000 -0.019 0.000 1.040 355 I HN 0.248 nan 8.210 nan 0.000 0.405 356 D N 0.745 121.058 120.400 -0.145 0.000 2.126 356 D HA -0.216 4.424 4.640 -0.001 0.000 0.190 356 D C 2.292 178.430 176.300 -0.270 0.000 1.001 356 D CA 1.472 55.354 54.000 -0.197 0.000 0.841 356 D CB -0.285 40.402 40.800 -0.188 0.000 0.949 356 D HN 0.240 nan 8.370 nan 0.000 0.446 357 R N 0.145 120.409 120.500 -0.394 0.000 2.083 357 R HA -0.078 4.262 4.340 -0.001 0.000 0.237 357 R C 2.399 178.370 176.300 -0.548 0.000 1.137 357 R CA 0.816 56.526 56.100 -0.651 0.000 0.951 357 R CB -0.600 28.957 30.300 -1.239 0.000 0.851 357 R HN 0.094 nan 8.270 nan 0.000 0.434 358 V N 0.392 120.062 119.914 -0.406 0.000 2.343 358 V HA -0.223 3.897 4.120 -0.001 0.000 0.247 358 V C 2.265 178.268 176.094 -0.152 0.000 1.051 358 V CA 1.671 63.866 62.300 -0.176 0.000 1.036 358 V CB -0.256 31.509 31.823 -0.097 0.000 0.654 358 V HN 0.156 nan 8.190 nan 0.000 0.451 359 V N 0.559 120.351 119.914 -0.203 0.000 2.358 359 V HA -0.254 3.866 4.120 -0.001 0.000 0.246 359 V C 2.281 178.273 176.094 -0.169 0.000 1.047 359 V CA 2.370 64.536 62.300 -0.223 0.000 1.035 359 V CB -1.011 30.654 31.823 -0.264 0.000 0.658 359 V HN 0.702 nan 8.190 nan 0.000 0.452 360 N N 0.636 119.241 118.700 -0.158 0.000 2.120 360 N HA -0.221 4.519 4.740 -0.001 0.000 0.188 360 N C 1.587 177.058 175.510 -0.064 0.000 1.024 360 N CA 1.826 54.808 53.050 -0.114 0.000 0.852 360 N CB -0.285 38.129 38.487 -0.123 0.000 1.003 360 N HN 0.513 nan 8.380 nan 0.000 0.424 361 D N -0.502 119.874 120.400 -0.039 0.000 2.144 361 D HA -0.077 4.563 4.640 -0.001 0.000 0.199 361 D C 1.614 177.920 176.300 0.009 0.000 0.984 361 D CA 0.913 54.934 54.000 0.035 0.000 0.834 361 D CB -0.055 40.836 40.800 0.151 0.000 0.955 361 D HN 0.359 nan 8.370 nan 0.000 0.465 362 L N -0.800 120.409 121.223 -0.023 0.000 2.552 362 L HA 0.215 4.555 4.340 -0.001 0.000 0.227 362 L C 1.575 178.428 176.870 -0.028 0.000 1.146 362 L CA 0.423 55.249 54.840 -0.023 0.000 0.858 362 L CB -0.274 41.760 42.059 -0.042 0.000 0.969 362 L HN 0.222 nan 8.230 nan 0.000 0.451 363 G N 0.640 109.415 108.800 -0.042 0.000 2.249 363 G HA2 -0.254 3.705 3.960 -0.001 0.000 0.273 363 G HA3 -0.254 3.705 3.960 -0.001 0.000 0.273 363 G C 0.228 175.100 174.900 -0.047 0.000 1.036 363 G CA -0.021 45.057 45.100 -0.037 0.000 0.824 363 G HN 0.202 nan 8.290 nan 0.000 0.504 364 R N -0.430 120.014 120.500 -0.095 0.000 2.720 364 R HA 0.505 4.844 4.340 -0.001 0.000 0.272 364 R C 0.371 176.584 176.300 -0.145 0.000 0.991 364 R CA -0.957 55.066 56.100 -0.129 0.000 1.010 364 R CB 1.111 31.245 30.300 -0.277 0.000 1.141 364 R HN 0.313 nan 8.270 nan 0.000 0.494 365 K N 1.841 122.166 120.400 -0.124 0.000 2.297 365 K HA 0.156 4.476 4.320 -0.001 0.000 0.286 365 K C -0.649 175.846 176.600 -0.175 0.000 1.053 365 K CA -0.449 55.770 56.287 -0.113 0.000 0.940 365 K CB 0.594 33.061 32.500 -0.055 0.000 1.019 365 K HN 0.241 nan 8.250 nan 0.000 0.475 366 L N 5.559 126.681 121.223 -0.169 0.000 2.275 366 L HA 0.291 4.630 4.340 -0.001 0.000 0.288 366 L C -1.240 175.526 176.870 -0.173 0.000 1.046 366 L CA -0.296 54.427 54.840 -0.195 0.000 0.805 366 L CB 1.616 43.567 42.059 -0.180 0.000 1.193 366 L HN 0.373 nan 8.230 nan 0.000 0.426 367 V N 5.448 125.227 119.914 -0.224 0.000 2.275 367 V HA 0.322 4.442 4.120 -0.001 0.000 0.272 367 V C 0.049 176.047 176.094 -0.159 0.000 1.028 367 V CA -0.628 61.553 62.300 -0.198 0.000 0.810 367 V CB 0.854 32.495 31.823 -0.303 0.000 1.043 367 V HN 0.805 nan 8.190 nan 0.000 0.453 368 E N 4.233 124.351 120.200 -0.137 0.000 2.229 368 E HA 0.545 4.895 4.350 -0.001 0.000 0.283 368 E C -0.533 175.966 176.600 -0.168 0.000 1.030 368 E CA -0.387 55.931 56.400 -0.136 0.000 0.836 368 E CB 1.578 31.176 29.700 -0.169 0.000 1.068 368 E HN 0.610 nan 8.360 nan 0.000 0.401 369 V N 1.361 121.167 119.914 -0.181 0.000 3.074 369 V HA 0.686 4.806 4.120 -0.001 0.000 0.314 369 V C -2.693 173.168 176.094 -0.389 0.000 1.117 369 V CA -2.727 59.363 62.300 -0.351 0.000 1.014 369 V CB 1.374 32.997 31.823 -0.333 0.000 1.057 369 V HN 0.616 nan 8.190 nan 0.000 0.438 370 P HA 0.207 nan 4.420 nan 0.000 0.271 370 P C -0.031 177.189 177.300 -0.132 0.000 1.244 370 P CA 0.017 62.899 63.100 -0.362 0.000 0.793 370 P CB 0.224 31.669 31.700 -0.425 0.000 0.984 371 V N -2.170 117.730 119.914 -0.023 0.000 2.901 371 V HA 0.501 4.621 4.120 -0.001 0.000 0.307 371 V C 0.540 176.746 176.094 0.187 0.000 1.084 371 V CA 0.262 62.599 62.300 0.061 0.000 1.184 371 V CB -1.014 30.834 31.823 0.043 0.000 0.941 371 V HN 0.999 nan 8.190 nan 0.000 0.493 372 G N 2.365 111.258 108.800 0.156 0.000 3.326 372 G HA2 -0.098 3.862 3.960 -0.001 0.000 0.681 372 G HA3 -0.098 3.862 3.960 -0.001 0.000 0.681 372 G C -0.716 174.216 174.900 0.053 0.000 1.255 372 G CA -0.102 45.077 45.100 0.131 0.000 0.976 372 G HN 1.303 nan 8.290 nan 0.000 0.563 373 F N 2.426 122.357 119.950 -0.031 0.000 2.408 373 F HA -0.064 4.463 4.527 -0.001 0.000 0.300 373 F C 2.781 178.511 175.800 -0.117 0.000 1.090 373 F CA 2.111 60.113 58.000 0.003 0.000 1.427 373 F CB 0.202 39.274 39.000 0.120 0.000 1.070 373 F HN 0.703 nan 8.300 nan 0.000 0.549 374 K N -0.822 119.493 120.400 -0.141 0.000 2.160 374 K HA -0.257 4.063 4.320 -0.001 0.000 0.206 374 K C 1.636 177.953 176.600 -0.471 0.000 1.047 374 K CA 2.131 58.212 56.287 -0.343 0.000 0.930 374 K CB -1.328 30.827 32.500 -0.575 0.000 0.720 374 K HN 0.418 nan 8.250 nan 0.000 0.450 375 W N -0.123 120.976 121.300 -0.336 0.000 2.825 375 W HA 0.077 4.737 4.660 -0.001 0.000 0.243 375 W C 0.917 177.275 176.519 -0.269 0.000 1.293 375 W CA -0.321 56.814 57.345 -0.350 0.000 1.403 375 W CB 0.025 29.218 29.460 -0.445 0.000 1.134 375 W HN 0.000 nan 8.180 nan 0.000 0.666 376 F N -2.053 117.883 119.950 -0.024 0.000 2.717 376 F HA 0.070 4.597 4.527 -0.001 0.000 0.295 376 F C 1.938 177.662 175.800 -0.126 0.000 1.117 376 F CA -0.410 57.567 58.000 -0.037 0.000 1.361 376 F CB -1.145 37.561 39.000 -0.490 0.000 1.112 376 F HN -0.324 nan 8.300 nan 0.000 0.594 377 V N 0.502 120.421 119.914 0.009 0.000 2.255 377 V HA -0.306 3.813 4.120 -0.001 0.000 0.247 377 V C 2.024 178.118 176.094 -0.001 0.000 1.051 377 V CA 2.308 64.627 62.300 0.031 0.000 1.018 377 V CB -0.451 31.369 31.823 -0.006 0.000 0.641 377 V HN 0.178 nan 8.190 nan 0.000 0.445 378 D N 0.430 120.789 120.400 -0.068 0.000 2.144 378 D HA -0.101 4.538 4.640 -0.001 0.000 0.199 378 D C 2.147 178.366 176.300 -0.135 0.000 0.984 378 D CA 1.608 55.569 54.000 -0.065 0.000 0.834 378 D CB -0.543 40.208 40.800 -0.082 0.000 0.955 378 D HN 0.500 nan 8.370 nan 0.000 0.465 379 G N 0.318 108.853 108.800 -0.442 0.000 2.408 379 G HA2 -0.108 3.852 3.960 -0.001 0.000 0.215 379 G HA3 -0.108 3.852 3.960 -0.001 0.000 0.215 379 G C 1.787 176.490 174.900 -0.329 0.000 1.156 379 G CA 0.027 44.621 45.100 -0.844 0.000 0.793 379 G HN 0.225 nan 8.290 nan 0.000 0.535 380 L N -0.659 120.508 121.223 -0.094 0.000 2.017 380 L HA -0.001 4.338 4.340 -0.001 0.000 0.208 380 L C 2.526 179.417 176.870 0.035 0.000 1.073 380 L CA 1.025 55.882 54.840 0.027 0.000 0.745 380 L CB -0.466 41.656 42.059 0.105 0.000 0.894 380 L HN 0.207 nan 8.230 nan 0.000 0.432 381 F N 2.108 122.010 119.950 -0.080 0.000 2.091 381 F HA -0.295 4.231 4.527 -0.001 0.000 0.299 381 F C 2.157 177.914 175.800 -0.072 0.000 1.103 381 F CA 2.137 60.098 58.000 -0.066 0.000 1.228 381 F CB -0.262 38.700 39.000 -0.064 0.000 0.984 381 F HN 0.363 nan 8.300 nan 0.000 0.477 382 D N -1.278 119.066 120.400 -0.093 0.000 2.340 382 D HA 0.162 4.802 4.640 -0.001 0.000 0.217 382 D C 1.659 177.869 176.300 -0.150 0.000 1.081 382 D CA 0.716 54.609 54.000 -0.177 0.000 0.842 382 D CB -0.418 40.344 40.800 -0.063 0.000 0.934 382 D HN 0.441 nan 8.370 nan 0.000 0.511 383 G N 0.401 109.116 108.800 -0.142 0.000 2.162 383 G HA2 -0.367 3.593 3.960 -0.001 0.000 0.260 383 G HA3 -0.367 3.593 3.960 -0.001 0.000 0.260 383 G C 1.162 176.010 174.900 -0.087 0.000 0.976 383 G CA 0.860 45.879 45.100 -0.135 0.000 0.655 383 G HN 0.661 nan 8.290 nan 0.000 0.533 384 S N -0.978 114.684 115.700 -0.063 0.000 2.461 384 S HA 0.338 4.807 4.470 -0.001 0.000 0.228 384 S C 0.793 175.572 174.600 0.299 0.000 1.005 384 S CA 0.064 58.291 58.200 0.045 0.000 0.942 384 S CB -0.005 63.193 63.200 -0.004 0.000 0.776 384 S HN 0.464 nan 8.310 nan 0.000 0.514 385 F N 1.419 121.358 119.950 -0.018 0.000 2.402 385 F HA 0.509 5.035 4.527 -0.001 0.000 0.355 385 F C 1.594 177.343 175.800 -0.085 0.000 1.123 385 F CA -1.080 56.921 58.000 0.002 0.000 1.021 385 F CB 1.745 40.756 39.000 0.019 0.000 1.160 385 F HN 0.198 nan 8.300 nan 0.000 0.451 386 G N 3.386 112.266 108.800 0.134 0.000 2.511 386 G HA2 -0.097 3.863 3.960 -0.001 0.000 0.217 386 G HA3 -0.097 3.863 3.960 -0.001 0.000 0.217 386 G C -0.436 174.485 174.900 0.036 0.000 1.133 386 G CA 0.550 45.441 45.100 -0.347 0.000 0.792 386 G HN 0.477 nan 8.290 nan 0.000 0.539 387 F N -0.688 119.349 119.950 0.144 0.000 2.635 387 F HA 0.571 5.098 4.527 -0.001 0.000 0.314 387 F C -0.593 175.120 175.800 -0.146 0.000 1.119 387 F CA -0.722 57.366 58.000 0.147 0.000 1.000 387 F CB 1.695 40.887 39.000 0.321 0.000 1.278 387 F HN 0.099 nan 8.300 nan 0.000 0.446 388 G N 2.319 110.650 108.800 -0.782 0.000 2.732 388 G HA2 0.605 4.565 3.960 -0.001 0.000 0.295 388 G HA3 0.605 4.565 3.960 -0.001 0.000 0.295 388 G C -1.415 172.835 174.900 -1.083 0.000 1.456 388 G CA -0.457 43.796 45.100 -1.412 0.000 1.050 388 G HN 1.034 nan 8.290 nan 0.000 0.525 389 G N 0.340 108.785 108.800 -0.592 0.000 2.642 389 G HA2 0.739 4.698 3.960 -0.001 0.000 0.293 389 G HA3 0.739 4.698 3.960 -0.001 0.000 0.293 389 G C -1.168 173.953 174.900 0.367 0.000 1.341 389 G CA -0.706 44.431 45.100 0.063 0.000 0.916 389 G HN 0.554 nan 8.290 nan 0.000 0.474 390 E N -0.325 120.108 120.200 0.388 0.000 2.238 390 E HA 0.254 4.604 4.350 -0.001 0.000 0.267 390 E C -0.183 176.548 176.600 0.219 0.000 0.887 390 E CA -0.680 55.920 56.400 0.333 0.000 0.769 390 E CB 2.297 32.199 29.700 0.336 0.000 1.187 390 E HN 0.569 nan 8.360 nan 0.000 0.416 391 E N 0.285 120.587 120.200 0.169 0.000 2.515 391 E HA -0.124 4.226 4.350 -0.001 0.000 0.201 391 E C 0.926 177.566 176.600 0.066 0.000 1.071 391 E CA 0.580 57.043 56.400 0.104 0.000 0.880 391 E CB -0.283 29.462 29.700 0.074 0.000 0.828 391 E HN 0.302 nan 8.360 nan 0.000 0.540 392 S N -0.004 115.748 115.700 0.086 0.000 2.701 392 S HA 0.489 4.959 4.470 -0.001 0.000 0.220 392 S C 1.069 175.649 174.600 -0.032 0.000 0.954 392 S CA -0.119 58.106 58.200 0.042 0.000 0.936 392 S CB -0.288 62.959 63.200 0.078 0.000 0.777 392 S HN 0.759 nan 8.310 nan 0.000 0.518 393 A N -0.846 121.945 122.820 -0.047 0.000 3.115 393 A HA 0.129 4.448 4.320 -0.001 0.000 0.255 393 A C 0.557 177.973 177.584 -0.280 0.000 1.380 393 A CA 0.280 52.167 52.037 -0.250 0.000 0.806 393 A CB -1.856 16.942 19.000 -0.337 0.000 1.044 393 A HN 1.462 nan 8.150 nan 0.000 0.589 394 G N -1.418 107.394 108.800 0.020 0.000 2.590 394 G HA2 1.008 4.967 3.960 -0.001 0.000 0.310 394 G HA3 1.008 4.967 3.960 -0.001 0.000 0.310 394 G C -0.452 174.604 174.900 0.259 0.000 1.347 394 G CA 0.393 45.558 45.100 0.109 0.000 0.963 394 G HN 2.109 nan 8.290 nan 0.000 0.494 395 A N 0.898 123.870 122.820 0.252 0.000 2.599 395 A HA 0.927 5.246 4.320 -0.001 0.000 0.290 395 A C -0.718 176.911 177.584 0.075 0.000 1.101 395 A CA -0.382 51.746 52.037 0.152 0.000 0.674 395 A CB 1.673 20.659 19.000 -0.023 0.000 1.277 395 A HN 1.617 nan 8.150 nan 0.000 0.419 396 S N -1.050 114.641 115.700 -0.016 0.000 2.607 396 S HA 0.933 5.402 4.470 -0.001 0.000 0.273 396 S C -1.433 173.125 174.600 -0.071 0.000 1.148 396 S CA -0.331 57.862 58.200 -0.012 0.000 0.833 396 S CB 1.078 64.376 63.200 0.163 0.000 1.130 396 S HN 1.725 nan 8.310 nan 0.000 0.470 397 F N 0.306 120.239 119.950 -0.029 0.000 2.685 397 F HA 0.711 5.237 4.527 -0.001 0.000 0.315 397 F C -1.376 174.456 175.800 0.053 0.000 1.126 397 F CA -1.407 56.613 58.000 0.034 0.000 0.950 397 F CB 0.464 39.632 39.000 0.281 0.000 1.360 397 F HN 0.437 nan 8.300 nan 0.000 0.469 398 L N 1.982 123.304 121.223 0.166 0.000 2.453 398 L HA 0.475 4.814 4.340 -0.001 0.000 0.261 398 L C 0.681 177.685 176.870 0.224 0.000 1.179 398 L CA -0.814 54.047 54.840 0.035 0.000 0.813 398 L CB 0.582 42.431 42.059 -0.349 0.000 1.110 398 L HN 0.664 nan 8.230 nan 0.000 0.466 399 R N 0.235 120.821 120.500 0.144 0.000 2.905 399 R HA -0.014 4.326 4.340 -0.001 0.000 0.273 399 R C 0.912 177.388 176.300 0.293 0.000 1.033 399 R CA -0.116 56.057 56.100 0.122 0.000 1.182 399 R CB 0.119 30.524 30.300 0.175 0.000 1.097 399 R HN 0.368 nan 8.270 nan 0.000 0.504 400 F N 1.137 121.244 119.950 0.262 0.000 2.154 400 F HA -0.223 4.303 4.527 -0.001 0.000 0.301 400 F C 2.047 178.031 175.800 0.307 0.000 1.087 400 F CA 1.910 60.041 58.000 0.219 0.000 1.274 400 F CB -0.329 38.712 39.000 0.069 0.000 1.009 400 F HN 0.622 nan 8.300 nan 0.000 0.485 401 D N -1.006 119.646 120.400 0.419 0.000 2.328 401 D HA 0.110 4.750 4.640 -0.001 0.000 0.226 401 D C 1.707 178.157 176.300 0.250 0.000 1.066 401 D CA 0.799 54.975 54.000 0.295 0.000 0.861 401 D CB -0.488 40.426 40.800 0.191 0.000 0.912 401 D HN 0.321 nan 8.370 nan 0.000 0.521 402 G N 0.300 109.265 108.800 0.276 0.000 2.147 402 G HA2 -0.248 3.711 3.960 -0.001 0.000 0.244 402 G HA3 -0.248 3.711 3.960 -0.001 0.000 0.244 402 G C 0.361 175.214 174.900 -0.079 0.000 1.005 402 G CA 0.625 45.696 45.100 -0.049 0.000 0.713 402 G HN 0.811 nan 8.290 nan 0.000 0.515 403 T N -1.399 113.155 114.554 0.001 0.000 2.945 403 T HA 0.784 5.134 4.350 -0.001 0.000 0.286 403 T C -2.457 172.236 174.700 -0.013 0.000 1.025 403 T CA -1.786 60.293 62.100 -0.035 0.000 1.039 403 T CB 3.281 72.142 68.868 -0.011 0.000 1.068 403 T HN 0.104 nan 8.240 nan 0.000 0.497 404 P HA 0.068 nan 4.420 nan 0.000 0.274 404 P C 0.014 177.363 177.300 0.082 0.000 1.231 404 P CA -0.613 62.494 63.100 0.012 0.000 0.790 404 P CB 1.184 32.882 31.700 -0.002 0.000 0.951 405 W N 2.659 123.899 121.300 -0.101 0.000 2.780 405 W HA 0.163 4.823 4.660 -0.001 0.000 0.272 405 W C -0.586 175.880 176.519 -0.089 0.000 1.116 405 W CA 0.495 57.759 57.345 -0.134 0.000 1.600 405 W CB 0.421 29.736 29.460 -0.241 0.000 1.086 405 W HN 0.325 nan 8.180 nan 0.000 0.584 406 S N 0.220 115.912 115.700 -0.014 0.000 2.575 406 S HA 0.291 4.761 4.470 -0.001 0.000 0.278 406 S C 0.222 174.870 174.600 0.079 0.000 1.139 406 S CA 0.030 58.197 58.200 -0.054 0.000 0.954 406 S CB 1.460 64.678 63.200 0.030 0.000 1.054 406 S HN 0.126 nan 8.310 nan 0.000 0.483 407 T N 0.276 114.881 114.554 0.086 0.000 3.086 407 T HA 0.243 4.593 4.350 -0.001 0.000 0.250 407 T C 0.292 175.155 174.700 0.271 0.000 1.074 407 T CA -0.075 62.137 62.100 0.187 0.000 0.988 407 T CB -0.089 68.872 68.868 0.155 0.000 0.988 407 T HN 0.492 nan 8.240 nan 0.000 0.530 408 D N 1.463 121.929 120.400 0.110 0.000 2.385 408 D HA 0.335 4.974 4.640 -0.001 0.000 0.254 408 D C -0.259 175.888 176.300 -0.256 0.000 1.053 408 D CA -0.711 53.254 54.000 -0.058 0.000 0.992 408 D CB 1.552 42.291 40.800 -0.102 0.000 1.145 408 D HN 0.225 nan 8.370 nan 0.000 0.523 409 K N 0.751 120.731 120.400 -0.700 0.000 2.355 409 K HA 0.210 4.530 4.320 -0.001 0.000 0.270 409 K C -0.240 176.264 176.600 -0.159 0.000 1.003 409 K CA -0.224 55.741 56.287 -0.537 0.000 0.957 409 K CB 0.614 32.776 32.500 -0.563 0.000 0.939 409 K HN 0.200 nan 8.250 nan 0.000 0.482 410 D N 1.186 121.569 120.400 -0.027 0.000 2.476 410 D HA 0.179 4.819 4.640 -0.001 0.000 0.251 410 D C 0.575 176.933 176.300 0.096 0.000 1.291 410 D CA -0.532 53.508 54.000 0.067 0.000 0.939 410 D CB 1.463 42.351 40.800 0.147 0.000 1.221 410 D HN 0.627 nan 8.370 nan 0.000 0.567 411 G N 3.033 111.895 108.800 0.104 0.000 2.448 411 G HA2 -0.116 3.843 3.960 -0.001 0.000 0.218 411 G HA3 -0.116 3.843 3.960 -0.001 0.000 0.218 411 G C 1.594 176.556 174.900 0.104 0.000 1.135 411 G CA 0.362 45.544 45.100 0.136 0.000 0.784 411 G HN 0.580 nan 8.290 nan 0.000 0.543 412 I N 1.425 122.047 120.570 0.087 0.000 2.193 412 I HA -0.095 4.074 4.170 -0.001 0.000 0.240 412 I C 2.752 178.874 176.117 0.007 0.000 1.084 412 I CA 1.069 62.377 61.300 0.013 0.000 1.365 412 I CB -0.270 37.712 38.000 -0.029 0.000 1.064 412 I HN 0.281 nan 8.210 nan 0.000 0.410 413 I N -1.457 119.103 120.570 -0.016 0.000 2.361 413 I HA -0.249 3.920 4.170 -0.001 0.000 0.251 413 I C 2.429 178.588 176.117 0.070 0.000 1.133 413 I CA 1.362 62.590 61.300 -0.121 0.000 1.413 413 I CB -0.412 37.291 38.000 -0.495 0.000 1.073 413 I HN 0.142 nan 8.210 nan 0.000 0.424 414 M N 0.974 120.604 119.600 0.051 0.000 2.175 414 M HA -0.114 4.366 4.480 -0.001 0.000 0.264 414 M C 2.471 178.734 176.300 -0.061 0.000 1.063 414 M CA 1.403 56.704 55.300 0.001 0.000 1.119 414 M CB -1.421 30.898 32.600 -0.468 0.000 1.377 414 M HN 0.475 nan 8.290 nan 0.000 0.415 415 C N 0.195 119.400 119.300 -0.159 0.000 2.453 415 C HA -0.089 4.371 4.460 -0.001 0.000 0.277 415 C C 2.908 177.628 174.990 -0.449 0.000 1.262 415 C CA 0.453 59.179 59.018 -0.486 0.000 1.718 415 C CB -1.143 26.080 27.740 -0.862 0.000 2.031 415 C HN 0.486 nan 8.230 nan 0.000 0.480 416 L N 0.391 121.506 121.223 -0.181 0.000 2.083 416 L HA -0.163 4.177 4.340 -0.001 0.000 0.209 416 L C 2.517 179.367 176.870 -0.034 0.000 1.083 416 L CA 0.901 55.707 54.840 -0.056 0.000 0.752 416 L CB -0.634 41.426 42.059 0.001 0.000 0.899 416 L HN 0.341 nan 8.230 nan 0.000 0.433 417 L N 0.287 121.519 121.223 0.015 0.000 2.042 417 L HA -0.187 4.152 4.340 -0.001 0.000 0.210 417 L C 2.638 179.468 176.870 -0.068 0.000 1.076 417 L CA 2.053 56.885 54.840 -0.014 0.000 0.749 417 L CB -0.760 41.317 42.059 0.030 0.000 0.893 417 L HN 0.157 nan 8.230 nan 0.000 0.432 418 A N -0.557 122.281 122.820 0.029 0.000 1.940 418 A HA -0.140 4.179 4.320 -0.001 0.000 0.219 418 A C 2.443 180.010 177.584 -0.029 0.000 1.176 418 A CA 1.952 53.998 52.037 0.015 0.000 0.631 418 A CB -1.119 17.831 19.000 -0.083 0.000 0.814 418 A HN 0.605 nan 8.150 nan 0.000 0.446 419 A N -0.437 122.383 122.820 -0.001 0.000 1.897 419 A HA -0.123 4.197 4.320 -0.001 0.000 0.215 419 A C 2.020 179.575 177.584 -0.048 0.000 1.181 419 A CA 1.658 53.711 52.037 0.027 0.000 0.620 419 A CB -0.528 18.533 19.000 0.103 0.000 0.821 419 A HN 0.682 nan 8.150 nan 0.000 0.443 420 E N 0.060 120.201 120.200 -0.098 0.000 2.058 420 E HA -0.217 4.133 4.350 -0.001 0.000 0.194 420 E C 1.854 178.260 176.600 -0.322 0.000 0.997 420 E CA 1.573 57.881 56.400 -0.153 0.000 0.801 420 E CB -0.287 29.331 29.700 -0.135 0.000 0.746 420 E HN 0.643 nan 8.360 nan 0.000 0.450 421 I N 0.773 121.014 120.570 -0.549 0.000 2.127 421 I HA -0.304 3.865 4.170 -0.001 0.000 0.241 421 I C 2.528 178.485 176.117 -0.267 0.000 1.075 421 I CA 1.764 62.604 61.300 -0.767 0.000 1.334 421 I CB -0.474 37.114 38.000 -0.687 0.000 1.040 421 I HN 0.207 nan 8.210 nan 0.000 0.405 422 T N 0.615 115.101 114.554 -0.113 0.000 2.746 422 T HA -0.167 4.183 4.350 -0.001 0.000 0.267 422 T C 1.987 176.689 174.700 0.002 0.000 1.039 422 T CA 1.464 63.564 62.100 -0.000 0.000 1.142 422 T CB -0.336 68.543 68.868 0.018 0.000 0.866 422 T HN 0.494 nan 8.240 nan 0.000 0.444 423 A N 0.785 123.592 122.820 -0.022 0.000 1.872 423 A HA 0.018 4.338 4.320 -0.001 0.000 0.214 423 A C 2.579 180.173 177.584 0.018 0.000 1.187 423 A CA 1.155 53.194 52.037 0.004 0.000 0.614 423 A CB -0.849 18.154 19.000 0.004 0.000 0.826 423 A HN 0.348 nan 8.150 nan 0.000 0.442 424 V N 0.293 120.209 119.914 0.003 0.000 2.379 424 V HA -0.152 3.968 4.120 -0.001 0.000 0.245 424 V C 2.814 178.963 176.094 0.092 0.000 1.044 424 V CA 2.298 64.631 62.300 0.056 0.000 1.036 424 V CB -0.872 31.004 31.823 0.089 0.000 0.664 424 V HN 0.829 nan 8.190 nan 0.000 0.453 425 T N -3.200 111.412 114.554 0.096 0.000 3.037 425 T HA 0.279 4.629 4.350 -0.001 0.000 0.251 425 T C 1.608 176.376 174.700 0.114 0.000 1.079 425 T CA 0.949 63.149 62.100 0.166 0.000 1.067 425 T CB 0.662 69.725 68.868 0.325 0.000 0.948 425 T HN 0.915 nan 8.240 nan 0.000 0.496 426 G N 1.456 110.303 108.800 0.077 0.000 2.168 426 G HA2 -0.249 3.711 3.960 -0.001 0.000 0.263 426 G HA3 -0.249 3.711 3.960 -0.001 0.000 0.263 426 G C -0.137 174.780 174.900 0.028 0.000 0.977 426 G CA 0.444 45.571 45.100 0.045 0.000 0.659 426 G HN 0.716 nan 8.290 nan 0.000 0.533 427 K N 0.356 120.783 120.400 0.046 0.000 2.427 427 K HA 0.440 4.760 4.320 -0.001 0.000 0.252 427 K C 0.001 176.657 176.600 0.094 0.000 0.931 427 K CA -0.711 55.560 56.287 -0.026 0.000 0.793 427 K CB 1.456 33.780 32.500 -0.293 0.000 1.211 427 K HN 0.304 nan 8.250 nan 0.000 0.426 428 N N 1.472 120.218 118.700 0.077 0.000 2.381 428 N HA 0.163 4.903 4.740 -0.001 0.000 0.254 428 N C -2.219 173.436 175.510 0.242 0.000 1.264 428 N CA -1.446 51.681 53.050 0.128 0.000 0.942 428 N CB 0.201 38.732 38.487 0.073 0.000 1.190 428 N HN 0.111 nan 8.380 nan 0.000 0.495 429 P HA -0.126 nan 4.420 nan 0.000 0.220 429 P C 1.174 178.661 177.300 0.311 0.000 1.148 429 P CA 1.244 64.524 63.100 0.301 0.000 0.803 429 P CB 0.184 32.043 31.700 0.265 0.000 0.782 430 Q N 0.543 120.471 119.800 0.213 0.000 2.083 430 Q HA -0.158 4.182 4.340 -0.001 0.000 0.198 430 Q C 1.933 178.055 176.000 0.202 0.000 0.969 430 Q CA 1.695 57.626 55.803 0.214 0.000 0.838 430 Q CB -0.740 28.079 28.738 0.136 0.000 0.900 430 Q HN 0.255 nan 8.270 nan 0.000 0.436 431 E N -0.714 119.558 120.200 0.121 0.000 2.085 431 E HA -0.228 4.122 4.350 -0.001 0.000 0.194 431 E C 2.063 178.670 176.600 0.011 0.000 0.994 431 E CA 1.187 57.606 56.400 0.032 0.000 0.801 431 E CB -0.283 29.386 29.700 -0.053 0.000 0.743 431 E HN 0.537 nan 8.360 nan 0.000 0.453 432 H N -0.491 118.645 119.070 0.110 0.000 2.352 432 H HA -0.177 4.378 4.556 -0.001 0.000 0.299 432 H C 2.024 177.427 175.328 0.125 0.000 1.097 432 H CA 1.651 57.766 56.048 0.112 0.000 1.311 432 H CB -0.407 29.432 29.762 0.128 0.000 1.377 432 H HN 0.288 nan 8.280 nan 0.000 0.504 433 Y N 2.210 122.627 120.300 0.195 0.000 2.181 433 Y HA -0.221 4.328 4.550 -0.001 0.000 0.288 433 Y C 2.176 178.114 175.900 0.064 0.000 1.146 433 Y CA 1.268 59.441 58.100 0.120 0.000 1.164 433 Y CB -0.070 38.452 38.460 0.104 0.000 0.982 433 Y HN 0.111 nan 8.280 nan 0.000 0.515 434 N N 0.635 119.394 118.700 0.098 0.000 2.149 434 N HA -0.193 4.547 4.740 -0.001 0.000 0.188 434 N C 1.599 177.061 175.510 -0.080 0.000 1.019 434 N CA 1.881 54.932 53.050 0.002 0.000 0.857 434 N CB -0.387 38.130 38.487 0.049 0.000 0.997 434 N HN 0.581 nan 8.380 nan 0.000 0.426 435 E N 0.466 120.633 120.200 -0.054 0.000 2.106 435 E HA -0.041 4.308 4.350 -0.001 0.000 0.192 435 E C 2.047 178.591 176.600 -0.092 0.000 0.984 435 E CA 0.420 56.782 56.400 -0.063 0.000 0.806 435 E CB -0.079 29.601 29.700 -0.034 0.000 0.750 435 E HN 0.301 nan 8.360 nan 0.000 0.458 436 L N 0.619 121.784 121.223 -0.096 0.000 2.042 436 L HA -0.208 4.132 4.340 -0.001 0.000 0.210 436 L C 2.614 179.430 176.870 -0.090 0.000 1.076 436 L CA 1.134 55.944 54.840 -0.049 0.000 0.749 436 L CB -0.531 41.481 42.059 -0.077 0.000 0.893 436 L HN 0.158 nan 8.230 nan 0.000 0.432 437 A N -0.122 122.510 122.820 -0.313 0.000 1.933 437 A HA -0.119 4.201 4.320 -0.001 0.000 0.218 437 A C 2.495 180.033 177.584 -0.077 0.000 1.175 437 A CA 1.604 53.513 52.037 -0.212 0.000 0.628 437 A CB -0.571 18.258 19.000 -0.284 0.000 0.814 437 A HN 0.414 nan 8.150 nan 0.000 0.444 438 A N -0.606 122.154 122.820 -0.100 0.000 1.969 438 A HA -0.079 4.241 4.320 -0.001 0.000 0.218 438 A C 2.216 179.728 177.584 -0.120 0.000 1.169 438 A CA 1.555 53.543 52.037 -0.082 0.000 0.635 438 A CB -0.375 18.578 19.000 -0.077 0.000 0.810 438 A HN 0.530 nan 8.150 nan 0.000 0.445 439 R N -2.027 118.345 120.500 -0.213 0.000 2.062 439 R HA 0.009 4.348 4.340 -0.001 0.000 0.226 439 R C 0.951 176.971 176.300 -0.467 0.000 1.125 439 R CA 1.596 57.429 56.100 -0.444 0.000 0.966 439 R CB -0.143 29.715 30.300 -0.736 0.000 0.861 439 R HN 0.485 nan 8.270 nan 0.000 0.433 440 F N -0.706 119.261 119.950 0.028 0.000 2.706 440 F HA 0.409 4.936 4.527 -0.001 0.000 0.308 440 F C 0.707 176.638 175.800 0.218 0.000 1.095 440 F CA 0.494 58.545 58.000 0.086 0.000 1.244 440 F CB 1.088 40.150 39.000 0.104 0.000 1.063 440 F HN 0.223 nan 8.300 nan 0.000 0.582 441 G N 0.799 109.764 108.800 0.274 0.000 2.690 441 G HA2 0.226 4.186 3.960 -0.001 0.000 0.686 441 G HA3 0.226 4.186 3.960 -0.001 0.000 0.686 441 G C -0.706 174.274 174.900 0.133 0.000 1.277 441 G CA -0.814 44.421 45.100 0.224 0.000 0.799 441 G HN 0.572 nan 8.290 nan 0.000 0.613 442 A N 2.911 125.732 122.820 0.002 0.000 2.294 442 A HA 0.792 5.111 4.320 -0.001 0.000 0.316 442 A C -1.135 176.333 177.584 -0.193 0.000 1.359 442 A CA -0.938 51.054 52.037 -0.074 0.000 0.956 442 A CB 0.348 19.348 19.000 0.000 0.000 1.155 442 A HN 0.777 nan 8.150 nan 0.000 0.544 443 P HA 0.148 nan 4.420 nan 0.000 0.271 443 P C -0.175 177.042 177.300 -0.139 0.000 1.218 443 P CA 0.008 62.744 63.100 -0.607 0.000 0.780 443 P CB 1.226 32.328 31.700 -0.997 0.000 0.901 444 S N 2.109 117.766 115.700 -0.072 0.000 2.456 444 S HA 0.457 4.927 4.470 -0.001 0.000 0.316 444 S C -1.428 173.210 174.600 0.063 0.000 1.089 444 S CA -0.580 57.639 58.200 0.032 0.000 1.101 444 S CB -0.104 63.106 63.200 0.018 0.000 0.995 444 S HN 0.430 nan 8.310 nan 0.000 0.468 445 Y N 4.753 125.041 120.300 -0.020 0.000 2.446 445 Y HA 0.686 5.235 4.550 -0.001 0.000 0.345 445 Y C -0.392 175.492 175.900 -0.026 0.000 0.984 445 Y CA -0.592 57.492 58.100 -0.026 0.000 1.058 445 Y CB 1.570 40.065 38.460 0.059 0.000 1.220 445 Y HN 0.771 nan 8.280 nan 0.000 0.455 446 N N 3.070 121.649 118.700 -0.201 0.000 2.591 446 N HA 0.398 5.138 4.740 -0.001 0.000 0.263 446 N C -2.152 173.244 175.510 -0.191 0.000 1.308 446 N CA -0.870 52.142 53.050 -0.063 0.000 0.837 446 N CB 2.004 40.435 38.487 -0.092 0.000 1.548 446 N HN 0.783 nan 8.380 nan 0.000 0.493 447 R N 2.205 122.652 120.500 -0.087 0.000 2.534 447 R HA 0.635 4.974 4.340 -0.001 0.000 0.301 447 R C -1.118 175.062 176.300 -0.199 0.000 0.961 447 R CA -0.536 55.440 56.100 -0.205 0.000 0.871 447 R CB 0.807 31.008 30.300 -0.165 0.000 1.170 447 R HN 0.558 nan 8.270 nan 0.000 0.446 448 L N 2.534 123.607 121.223 -0.250 0.000 2.319 448 L HA 0.603 4.943 4.340 -0.001 0.000 0.267 448 L C -0.523 176.183 176.870 -0.272 0.000 1.011 448 L CA -0.965 53.748 54.840 -0.212 0.000 0.818 448 L CB 2.114 44.065 42.059 -0.180 0.000 1.316 448 L HN 0.628 nan 8.230 nan 0.000 0.432 449 Q N 0.779 120.411 119.800 -0.279 0.000 2.377 449 Q HA 0.809 5.149 4.340 -0.001 0.000 0.279 449 Q C -2.045 173.702 176.000 -0.422 0.000 1.049 449 Q CA -0.551 55.025 55.803 -0.378 0.000 0.825 449 Q CB 3.099 31.685 28.738 -0.253 0.000 1.401 449 Q HN 0.817 nan 8.270 nan 0.000 0.404 450 A N 1.323 123.748 122.820 -0.659 0.000 2.609 450 A HA 0.662 4.981 4.320 -0.001 0.000 0.291 450 A C -1.118 176.282 177.584 -0.306 0.000 1.096 450 A CA -0.375 51.404 52.037 -0.430 0.000 0.684 450 A CB 1.743 20.543 19.000 -0.332 0.000 1.282 450 A HN 0.599 nan 8.150 nan 0.000 0.412 451 S N -0.413 115.236 115.700 -0.084 0.000 2.579 451 S HA 0.615 5.085 4.470 -0.001 0.000 0.275 451 S C 0.167 174.854 174.600 0.144 0.000 1.345 451 S CA 0.481 58.690 58.200 0.015 0.000 1.031 451 S CB 0.489 63.699 63.200 0.016 0.000 0.892 451 S HN 2.227 nan 8.310 nan 0.000 0.529 452 A N 2.485 125.395 122.820 0.149 0.000 2.539 452 A HA 0.707 5.026 4.320 -0.001 0.000 0.296 452 A C 0.146 177.781 177.584 0.085 0.000 1.073 452 A CA -0.520 51.610 52.037 0.156 0.000 0.700 452 A CB 0.987 20.115 19.000 0.214 0.000 1.296 452 A HN 1.065 nan 8.150 nan 0.000 0.405 453 T N -0.838 113.752 114.554 0.060 0.000 2.856 453 T HA 0.288 4.638 4.350 -0.001 0.000 0.306 453 T C 1.355 176.080 174.700 0.042 0.000 1.062 453 T CA 0.550 62.674 62.100 0.041 0.000 1.083 453 T CB 0.999 69.884 68.868 0.028 0.000 0.984 453 T HN 1.065 nan 8.240 nan 0.000 0.542 454 S N 1.167 116.888 115.700 0.034 0.000 2.374 454 S HA -0.166 4.304 4.470 -0.001 0.000 0.227 454 S C 2.353 176.971 174.600 0.030 0.000 1.037 454 S CA 1.511 59.731 58.200 0.033 0.000 1.024 454 S CB -1.196 62.020 63.200 0.027 0.000 0.861 454 S HN 0.936 nan 8.310 nan 0.000 0.456 455 A N 0.567 123.402 122.820 0.024 0.000 1.933 455 A HA -0.134 4.186 4.320 -0.001 0.000 0.218 455 A C 2.109 179.704 177.584 0.017 0.000 1.175 455 A CA 1.673 53.721 52.037 0.019 0.000 0.628 455 A CB -0.739 18.269 19.000 0.014 0.000 0.814 455 A HN 0.713 nan 8.150 nan 0.000 0.444 456 Q N -0.615 119.196 119.800 0.018 0.000 2.084 456 Q HA -0.182 4.158 4.340 -0.001 0.000 0.202 456 Q C 2.198 178.207 176.000 0.016 0.000 0.978 456 Q CA 1.730 57.537 55.803 0.007 0.000 0.844 456 Q CB -0.198 28.542 28.738 0.004 0.000 0.898 456 Q HN 0.733 nan 8.270 nan 0.000 0.426 457 K N 0.570 120.995 120.400 0.042 0.000 2.057 457 K HA -0.160 4.159 4.320 -0.001 0.000 0.207 457 K C 2.039 178.668 176.600 0.047 0.000 1.049 457 K CA 1.172 57.496 56.287 0.061 0.000 0.931 457 K CB -0.140 32.405 32.500 0.076 0.000 0.714 457 K HN 0.174 nan 8.250 nan 0.000 0.440 458 A N 1.166 124.008 122.820 0.037 0.000 1.877 458 A HA -0.106 4.213 4.320 -0.001 0.000 0.216 458 A C 2.364 179.963 177.584 0.025 0.000 1.186 458 A CA 1.900 53.957 52.037 0.032 0.000 0.620 458 A CB -0.896 18.120 19.000 0.026 0.000 0.822 458 A HN 0.495 nan 8.150 nan 0.000 0.443 459 A N -0.544 122.286 122.820 0.016 0.000 1.940 459 A HA -0.088 4.232 4.320 -0.001 0.000 0.219 459 A C 2.099 179.688 177.584 0.008 0.000 1.176 459 A CA 1.798 53.840 52.037 0.008 0.000 0.631 459 A CB -0.618 18.381 19.000 -0.002 0.000 0.814 459 A HN 0.744 nan 8.150 nan 0.000 0.446 460 L N 0.874 122.102 121.223 0.008 0.000 2.131 460 L HA -0.101 4.239 4.340 -0.001 0.000 0.210 460 L C 2.326 179.215 176.870 0.031 0.000 1.092 460 L CA 2.577 57.423 54.840 0.010 0.000 0.759 460 L CB -0.505 41.562 42.059 0.013 0.000 0.903 460 L HN 0.464 nan 8.230 nan 0.000 0.435 461 S N -2.471 113.251 115.700 0.037 0.000 2.605 461 S HA 0.104 4.574 4.470 -0.001 0.000 0.217 461 S C 1.095 175.711 174.600 0.027 0.000 0.958 461 S CA -0.152 58.072 58.200 0.039 0.000 0.919 461 S CB -0.312 62.918 63.200 0.049 0.000 0.780 461 S HN 0.501 nan 8.310 nan 0.000 0.507 462 K N 1.186 121.599 120.400 0.020 0.000 2.792 462 K HA 0.412 4.732 4.320 -0.001 0.000 0.207 462 K C -0.642 175.963 176.600 0.009 0.000 1.103 462 K CA -0.181 56.114 56.287 0.014 0.000 1.048 462 K CB 0.558 33.066 32.500 0.014 0.000 0.777 462 K HN 0.339 nan 8.250 nan 0.000 0.468 463 L N 0.760 121.989 121.223 0.010 0.000 2.439 463 L HA 0.292 4.631 4.340 -0.001 0.000 0.261 463 L C 0.240 177.111 176.870 0.001 0.000 1.153 463 L CA -0.231 54.613 54.840 0.007 0.000 0.808 463 L CB 1.348 43.414 42.059 0.011 0.000 1.126 463 L HN 0.034 nan 8.230 nan 0.000 0.460 464 S N 0.620 116.320 115.700 -0.000 0.000 2.536 464 S HA 0.363 4.833 4.470 -0.001 0.000 0.298 464 S C -1.914 172.683 174.600 -0.006 0.000 1.083 464 S CA -1.017 57.180 58.200 -0.005 0.000 0.995 464 S CB 2.159 65.356 63.200 -0.004 0.000 1.058 464 S HN 0.381 nan 8.310 nan 0.000 0.488 465 P HA -0.131 nan 4.420 nan 0.000 0.217 465 P C 0.633 177.929 177.300 -0.006 0.000 1.148 465 P CA 1.200 64.291 63.100 -0.014 0.000 0.828 465 P CB 0.146 31.833 31.700 -0.022 0.000 0.783 466 E N -1.051 119.147 120.200 -0.004 0.000 2.150 466 E HA -0.074 4.275 4.350 -0.001 0.000 0.193 466 E C 1.830 178.433 176.600 0.004 0.000 0.985 466 E CA 0.966 57.366 56.400 -0.000 0.000 0.814 466 E CB -0.880 28.819 29.700 -0.001 0.000 0.752 466 E HN 0.287 nan 8.360 nan 0.000 0.466 467 M N 0.344 119.947 119.600 0.005 0.000 2.530 467 M HA -0.062 4.418 4.480 -0.001 0.000 0.261 467 M C -0.175 176.133 176.300 0.015 0.000 1.067 467 M CA 0.573 55.878 55.300 0.008 0.000 1.071 467 M CB 0.109 32.713 32.600 0.007 0.000 1.405 467 M HN -0.148 nan 8.290 nan 0.000 0.478 468 V N 0.545 120.469 119.914 0.017 0.000 2.313 468 V HA 0.142 4.262 4.120 -0.001 0.000 0.278 468 V C 0.874 176.983 176.094 0.025 0.000 1.017 468 V CA -0.282 62.035 62.300 0.030 0.000 0.823 468 V CB 1.157 33.001 31.823 0.036 0.000 1.010 468 V HN 0.325 nan 8.190 nan 0.000 0.443 469 S N 3.093 118.809 115.700 0.027 0.000 2.517 469 S HA 0.248 4.718 4.470 -0.001 0.000 0.214 469 S C 1.147 175.764 174.600 0.028 0.000 0.991 469 S CA 0.359 58.572 58.200 0.022 0.000 0.906 469 S CB 0.161 63.372 63.200 0.017 0.000 0.789 469 S HN 1.034 nan 8.310 nan 0.000 0.513 470 A N 2.329 125.174 122.820 0.040 0.000 2.584 470 A HA 0.352 4.671 4.320 -0.001 0.000 0.239 470 A C 1.288 178.898 177.584 0.043 0.000 1.043 470 A CA 0.434 52.501 52.037 0.049 0.000 0.756 470 A CB -0.032 19.015 19.000 0.078 0.000 0.963 470 A HN 0.768 nan 8.150 nan 0.000 0.511 471 S N 0.765 116.488 115.700 0.039 0.000 2.512 471 S HA 0.245 4.715 4.470 -0.001 0.000 0.216 471 S C 0.654 175.280 174.600 0.043 0.000 1.006 471 S CA 0.590 58.811 58.200 0.034 0.000 0.915 471 S CB -0.230 62.985 63.200 0.026 0.000 0.824 471 S HN 1.480 nan 8.310 nan 0.000 0.497 472 T N 0.018 114.603 114.554 0.052 0.000 2.906 472 T HA 0.753 5.102 4.350 -0.001 0.000 0.295 472 T C -1.319 173.429 174.700 0.081 0.000 1.075 472 T CA -0.818 61.320 62.100 0.063 0.000 1.005 472 T CB 1.836 70.737 68.868 0.055 0.000 1.136 472 T HN 0.220 nan 8.240 nan 0.000 0.498 473 L N 2.239 123.520 121.223 0.096 0.000 2.441 473 L HA 0.705 5.045 4.340 -0.001 0.000 0.270 473 L C 0.471 177.395 176.870 0.091 0.000 0.973 473 L CA 0.444 55.350 54.840 0.109 0.000 0.842 473 L CB 1.076 43.231 42.059 0.160 0.000 1.239 473 L HN 1.480 nan 8.230 nan 0.000 0.406 474 A N 3.945 126.785 122.820 0.033 0.000 2.596 474 A HA 0.147 4.466 4.320 -0.001 0.000 0.300 474 A C 1.586 179.266 177.584 0.160 0.000 1.495 474 A CA 1.580 53.619 52.037 0.003 0.000 0.769 474 A CB -2.104 16.725 19.000 -0.285 0.000 1.047 474 A HN 2.581 nan 8.150 nan 0.000 0.436 475 G N -1.757 107.113 108.800 0.116 0.000 2.199 475 G HA2 -0.213 3.747 3.960 -0.001 0.000 0.254 475 G HA3 -0.213 3.747 3.960 -0.001 0.000 0.254 475 G C -0.171 174.793 174.900 0.107 0.000 0.982 475 G CA 0.586 45.754 45.100 0.113 0.000 0.632 475 G HN 1.018 nan 8.290 nan 0.000 0.529 476 D N 1.085 121.562 120.400 0.128 0.000 2.269 476 D HA 0.507 5.147 4.640 -0.001 0.000 0.244 476 D C -2.669 173.679 176.300 0.080 0.000 0.992 476 D CA -1.408 52.651 54.000 0.099 0.000 0.894 476 D CB 1.767 42.639 40.800 0.121 0.000 1.248 476 D HN -0.017 nan 8.370 nan 0.000 0.468 477 P HA 0.138 nan 4.420 nan 0.000 0.267 477 P C 0.009 177.340 177.300 0.051 0.000 1.205 477 P CA 0.004 63.132 63.100 0.047 0.000 0.765 477 P CB 0.558 32.277 31.700 0.033 0.000 0.828 478 I N 2.717 123.316 120.570 0.048 0.000 2.618 478 I HA -0.032 4.138 4.170 -0.001 0.000 0.284 478 I C 1.643 177.773 176.117 0.023 0.000 1.146 478 I CA 0.659 61.985 61.300 0.042 0.000 1.425 478 I CB 0.626 38.649 38.000 0.038 0.000 1.383 478 I HN 0.467 nan 8.210 nan 0.000 0.562 479 T N 2.025 116.589 114.554 0.017 0.000 3.015 479 T HA 0.477 4.826 4.350 -0.001 0.000 0.250 479 T C 0.372 175.062 174.700 -0.017 0.000 1.057 479 T CA 0.056 62.156 62.100 0.000 0.000 1.066 479 T CB 0.437 69.304 68.868 -0.001 0.000 0.959 479 T HN 0.642 nan 8.240 nan 0.000 0.488 480 A N 0.928 123.734 122.820 -0.023 0.000 2.589 480 A HA 0.772 5.092 4.320 -0.001 0.000 0.296 480 A C -1.345 176.206 177.584 -0.055 0.000 1.062 480 A CA -1.222 50.789 52.037 -0.043 0.000 0.686 480 A CB 1.323 20.287 19.000 -0.061 0.000 1.282 480 A HN 0.301 nan 8.150 nan 0.000 0.404 481 R N 1.118 121.584 120.500 -0.056 0.000 2.435 481 R HA 0.634 4.974 4.340 -0.001 0.000 0.308 481 R C -1.497 174.761 176.300 -0.070 0.000 0.975 481 R CA -0.289 55.770 56.100 -0.068 0.000 0.867 481 R CB 1.578 31.854 30.300 -0.039 0.000 1.171 481 R HN 0.595 nan 8.270 nan 0.000 0.470 482 L N 1.775 122.944 121.223 -0.090 0.000 2.365 482 L HA 0.505 4.844 4.340 -0.001 0.000 0.273 482 L C 0.928 177.753 176.870 -0.075 0.000 1.000 482 L CA -0.551 54.237 54.840 -0.087 0.000 0.819 482 L CB 2.361 44.354 42.059 -0.110 0.000 1.284 482 L HN 0.728 nan 8.230 nan 0.000 0.418 483 T N -2.068 112.448 114.554 -0.063 0.000 3.043 483 T HA 0.539 4.888 4.350 -0.001 0.000 0.272 483 T C 0.184 174.844 174.700 -0.067 0.000 0.990 483 T CA 0.019 62.088 62.100 -0.051 0.000 0.897 483 T CB 0.659 69.509 68.868 -0.030 0.000 1.111 483 T HN 0.536 nan 8.240 nan 0.000 0.529 484 A N 0.901 123.668 122.820 -0.089 0.000 2.435 484 A HA 0.912 5.231 4.320 -0.001 0.000 0.304 484 A C -0.054 177.438 177.584 -0.153 0.000 1.064 484 A CA -0.739 51.226 52.037 -0.120 0.000 0.727 484 A CB 1.226 20.164 19.000 -0.103 0.000 1.284 484 A HN 0.683 nan 8.150 nan 0.000 0.415 485 A N 2.480 125.173 122.820 -0.213 0.000 2.450 485 A HA 0.556 4.876 4.320 -0.001 0.000 0.255 485 A C -1.713 175.760 177.584 -0.186 0.000 1.096 485 A CA -1.043 50.855 52.037 -0.232 0.000 0.778 485 A CB -0.248 18.549 19.000 -0.337 0.000 1.031 485 A HN 0.516 nan 8.150 nan 0.000 0.494 486 P HA -0.090 nan 4.420 nan 0.000 0.217 486 P C 1.729 178.964 177.300 -0.109 0.000 1.150 486 P CA 1.770 64.796 63.100 -0.122 0.000 0.832 486 P CB 0.142 31.769 31.700 -0.121 0.000 0.787 487 G N 0.710 109.437 108.800 -0.122 0.000 2.421 487 G HA2 -0.238 3.722 3.960 -0.001 0.000 0.216 487 G HA3 -0.238 3.722 3.960 -0.001 0.000 0.216 487 G C 1.187 176.058 174.900 -0.049 0.000 1.171 487 G CA 1.176 46.225 45.100 -0.085 0.000 0.775 487 G HN 0.389 nan 8.290 nan 0.000 0.543 488 N N -1.319 117.319 118.700 -0.102 0.000 2.159 488 N HA 0.224 4.963 4.740 -0.001 0.000 0.217 488 N C 1.397 176.835 175.510 -0.120 0.000 1.223 488 N CA 0.778 53.782 53.050 -0.076 0.000 0.896 488 N CB 0.062 38.507 38.487 -0.070 0.000 1.064 488 N HN 0.578 nan 8.380 nan 0.000 0.518 489 G N -0.287 108.424 108.800 -0.149 0.000 2.168 489 G HA2 -0.223 3.737 3.960 -0.001 0.000 0.263 489 G HA3 -0.223 3.737 3.960 -0.001 0.000 0.263 489 G C 0.331 175.131 174.900 -0.167 0.000 0.977 489 G CA 0.334 45.358 45.100 -0.127 0.000 0.659 489 G HN 0.856 nan 8.290 nan 0.000 0.533 490 A N 0.238 122.876 122.820 -0.304 0.000 2.425 490 A HA 0.691 5.010 4.320 -0.001 0.000 0.249 490 A C 0.971 178.383 177.584 -0.287 0.000 1.084 490 A CA 0.799 52.609 52.037 -0.379 0.000 0.781 490 A CB 0.428 18.840 19.000 -0.980 0.000 1.019 490 A HN 1.100 nan 8.150 nan 0.000 0.490 491 S N 1.216 116.825 115.700 -0.152 0.000 2.549 491 S HA 0.098 4.567 4.470 -0.001 0.000 0.286 491 S C 1.300 175.837 174.600 -0.105 0.000 1.314 491 S CA -0.167 57.978 58.200 -0.092 0.000 1.062 491 S CB 0.226 63.414 63.200 -0.021 0.000 0.865 491 S HN 0.527 nan 8.310 nan 0.000 0.498 492 I N 1.864 122.380 120.570 -0.089 0.000 2.617 492 I HA 0.039 4.208 4.170 -0.001 0.000 0.256 492 I C 1.761 177.877 176.117 -0.001 0.000 1.167 492 I CA 0.518 61.777 61.300 -0.068 0.000 1.469 492 I CB -0.599 37.365 38.000 -0.061 0.000 1.098 492 I HN 0.930 nan 8.210 nan 0.000 0.436 493 G N 1.564 110.371 108.800 0.011 0.000 2.272 493 G HA2 -0.070 3.890 3.960 -0.001 0.000 0.280 493 G HA3 -0.070 3.890 3.960 -0.001 0.000 0.280 493 G C 0.293 175.225 174.900 0.054 0.000 1.067 493 G CA 0.167 45.291 45.100 0.040 0.000 0.902 493 G HN 0.774 nan 8.290 nan 0.000 0.500 494 G N -1.671 107.154 108.800 0.042 0.000 2.392 494 G HA2 0.627 4.587 3.960 -0.001 0.000 0.260 494 G HA3 0.627 4.587 3.960 -0.001 0.000 0.260 494 G C -1.691 173.234 174.900 0.042 0.000 1.226 494 G CA 0.080 45.219 45.100 0.065 0.000 0.913 494 G HN 1.510 nan 8.290 nan 0.000 0.483 495 L N 0.238 121.499 121.223 0.064 0.000 2.464 495 L HA 0.850 5.189 4.340 -0.001 0.000 0.266 495 L C -0.698 176.154 176.870 -0.030 0.000 0.965 495 L CA -0.712 54.139 54.840 0.019 0.000 0.833 495 L CB 2.116 44.213 42.059 0.064 0.000 1.296 495 L HN 0.719 nan 8.230 nan 0.000 0.405 496 K N 3.977 124.302 120.400 -0.124 0.000 2.345 496 K HA 0.804 5.123 4.320 -0.001 0.000 0.255 496 K C -1.930 174.478 176.600 -0.319 0.000 0.934 496 K CA -0.642 55.520 56.287 -0.208 0.000 0.801 496 K CB 1.901 34.318 32.500 -0.138 0.000 1.137 496 K HN 0.505 nan 8.250 nan 0.000 0.424 497 V N 5.519 125.094 119.914 -0.565 0.000 2.540 497 V HA 0.491 4.611 4.120 -0.001 0.000 0.302 497 V C -0.438 175.557 176.094 -0.164 0.000 1.035 497 V CA -0.742 61.313 62.300 -0.408 0.000 0.873 497 V CB 1.663 33.158 31.823 -0.547 0.000 0.992 497 V HN 0.860 nan 8.190 nan 0.000 0.428 498 M N 3.704 123.283 119.600 -0.036 0.000 2.602 498 M HA 0.704 5.184 4.480 -0.001 0.000 0.312 498 M C -0.101 176.248 176.300 0.083 0.000 1.181 498 M CA -0.380 54.966 55.300 0.077 0.000 0.910 498 M CB 2.704 35.320 32.600 0.027 0.000 1.723 498 M HN 0.830 nan 8.290 nan 0.000 0.459 499 T N -3.958 110.676 114.554 0.134 0.000 2.831 499 T HA 0.388 4.738 4.350 -0.001 0.000 0.287 499 T C 0.128 174.889 174.700 0.101 0.000 1.070 499 T CA -0.839 61.327 62.100 0.109 0.000 1.010 499 T CB 1.181 70.132 68.868 0.138 0.000 1.264 499 T HN 0.563 nan 8.240 nan 0.000 0.532 500 D N 0.130 120.570 120.400 0.066 0.000 2.310 500 D HA -0.013 4.627 4.640 -0.001 0.000 0.212 500 D C 1.262 177.591 176.300 0.048 0.000 0.965 500 D CA 1.081 55.100 54.000 0.032 0.000 0.879 500 D CB -0.147 40.657 40.800 0.008 0.000 0.921 500 D HN 0.629 nan 8.370 nan 0.000 0.510 501 N N -0.811 117.958 118.700 0.115 0.000 2.250 501 N HA 0.266 5.006 4.740 -0.001 0.000 0.190 501 N C 0.727 176.423 175.510 0.309 0.000 1.116 501 N CA 0.027 53.173 53.050 0.160 0.000 0.881 501 N CB 1.470 39.996 38.487 0.064 0.000 1.006 501 N HN 0.028 nan 8.380 nan 0.000 0.491 502 G N 0.160 109.152 108.800 0.322 0.000 2.495 502 G HA2 0.431 4.390 3.960 -0.001 0.000 0.294 502 G HA3 0.431 4.390 3.960 -0.001 0.000 0.294 502 G C -2.353 172.755 174.900 0.347 0.000 1.397 502 G CA -0.895 44.396 45.100 0.319 0.000 0.790 502 G HN 0.154 nan 8.290 nan 0.000 0.486 503 W N -1.015 120.379 121.300 0.157 0.000 3.059 503 W HA 0.706 5.365 4.660 -0.001 0.000 0.329 503 W C -2.233 174.383 176.519 0.162 0.000 1.246 503 W CA -1.760 55.639 57.345 0.090 0.000 1.190 503 W CB 0.820 30.303 29.460 0.039 0.000 1.423 503 W HN 0.965 nan 8.180 nan 0.000 0.571 504 F N 0.672 120.797 119.950 0.292 0.000 2.613 504 F HA 0.918 5.445 4.527 -0.001 0.000 0.314 504 F C -1.330 174.743 175.800 0.455 0.000 1.075 504 F CA -1.470 56.652 58.000 0.203 0.000 0.945 504 F CB 1.493 40.506 39.000 0.022 0.000 1.310 504 F HN 0.679 nan 8.300 nan 0.000 0.467 505 A N 1.825 125.038 122.820 0.656 0.000 2.374 505 A HA 0.900 5.220 4.320 -0.001 0.000 0.305 505 A C -1.346 176.595 177.584 0.594 0.000 1.053 505 A CA -0.407 51.912 52.037 0.470 0.000 0.726 505 A CB 1.002 20.248 19.000 0.410 0.000 1.229 505 A HN 1.709 nan 8.150 nan 0.000 0.431 506 A N 2.768 125.873 122.820 0.476 0.000 2.303 506 A HA 0.832 5.151 4.320 -0.001 0.000 0.320 506 A C -0.037 177.736 177.584 0.314 0.000 1.192 506 A CA -0.568 51.718 52.037 0.416 0.000 0.821 506 A CB 0.739 19.957 19.000 0.363 0.000 1.188 506 A HN 0.823 nan 8.150 nan 0.000 0.492 507 R N 2.543 123.247 120.500 0.339 0.000 2.673 507 R HA 0.508 4.847 4.340 -0.001 0.000 0.281 507 R C -3.024 173.428 176.300 0.254 0.000 0.991 507 R CA -1.968 54.292 56.100 0.267 0.000 0.896 507 R CB 2.514 32.989 30.300 0.291 0.000 1.201 507 R HN 0.484 nan 8.270 nan 0.000 0.457 508 P HA -0.047 nan 4.420 nan 0.000 0.268 508 P C -0.192 177.202 177.300 0.157 0.000 1.205 508 P CA -0.065 63.141 63.100 0.178 0.000 0.771 508 P CB 0.954 32.731 31.700 0.127 0.000 0.858 509 S N 1.604 117.383 115.700 0.132 0.000 2.560 509 S HA 0.168 4.637 4.470 -0.001 0.000 0.284 509 S C 1.806 176.458 174.600 0.087 0.000 1.327 509 S CA 0.235 58.493 58.200 0.097 0.000 1.055 509 S CB -0.376 62.859 63.200 0.059 0.000 0.868 509 S HN 0.583 nan 8.310 nan 0.000 0.506 510 G N 1.650 110.499 108.800 0.080 0.000 2.712 510 G HA2 0.043 4.003 3.960 -0.001 0.000 0.212 510 G HA3 0.043 4.003 3.960 -0.001 0.000 0.212 510 G C 1.097 176.027 174.900 0.049 0.000 1.142 510 G CA 0.814 45.954 45.100 0.066 0.000 0.789 510 G HN 0.925 nan 8.290 nan 0.000 0.535 511 T N -3.211 111.369 114.554 0.042 0.000 2.986 511 T HA 0.327 4.677 4.350 -0.001 0.000 0.264 511 T C 0.392 175.108 174.700 0.026 0.000 0.964 511 T CA -0.243 61.874 62.100 0.029 0.000 0.895 511 T CB 0.714 69.594 68.868 0.019 0.000 1.163 511 T HN 0.304 nan 8.240 nan 0.000 0.517 512 E N 0.948 121.166 120.200 0.030 0.000 2.410 512 E HA 0.428 4.778 4.350 -0.001 0.000 0.269 512 E C -1.588 175.035 176.600 0.038 0.000 0.937 512 E CA -1.100 55.315 56.400 0.026 0.000 0.793 512 E CB 1.094 30.802 29.700 0.013 0.000 1.314 512 E HN -0.048 nan 8.360 nan 0.000 0.447 513 D N 1.174 121.595 120.400 0.036 0.000 2.470 513 D HA 0.424 5.064 4.640 -0.001 0.000 0.226 513 D C -0.819 175.516 176.300 0.059 0.000 1.196 513 D CA 0.401 54.432 54.000 0.050 0.000 0.979 513 D CB 0.355 41.181 40.800 0.043 0.000 1.059 513 D HN 0.511 nan 8.370 nan 0.000 0.515 514 A N 1.860 124.727 122.820 0.078 0.000 2.586 514 A HA 0.635 4.954 4.320 -0.001 0.000 0.290 514 A C -1.708 175.958 177.584 0.137 0.000 1.086 514 A CA -1.037 51.037 52.037 0.062 0.000 0.665 514 A CB 1.079 20.061 19.000 -0.030 0.000 1.279 514 A HN 0.328 nan 8.150 nan 0.000 0.423 515 Y N -0.932 119.377 120.300 0.016 0.000 2.576 515 Y HA 0.871 5.421 4.550 -0.001 0.000 0.346 515 Y C -0.571 175.332 175.900 0.004 0.000 1.018 515 Y CA -1.096 57.023 58.100 0.030 0.000 1.050 515 Y CB 1.458 39.940 38.460 0.036 0.000 1.280 515 Y HN 0.590 nan 8.280 nan 0.000 0.474 516 K N 2.354 122.801 120.400 0.079 0.000 2.259 516 K HA 0.686 5.005 4.320 -0.001 0.000 0.249 516 K C -1.547 175.074 176.600 0.035 0.000 0.942 516 K CA -0.654 55.569 56.287 -0.106 0.000 0.816 516 K CB 2.625 35.022 32.500 -0.171 0.000 1.155 516 K HN 0.684 nan 8.250 nan 0.000 0.428 517 I N 2.795 123.291 120.570 -0.124 0.000 2.436 517 I HA 0.300 4.470 4.170 -0.001 0.000 0.289 517 I C -1.156 174.840 176.117 -0.201 0.000 1.010 517 I CA -0.857 60.456 61.300 0.020 0.000 1.098 517 I CB 1.050 39.072 38.000 0.035 0.000 1.266 517 I HN 0.482 nan 8.210 nan 0.000 0.434 518 Y N 4.560 124.924 120.300 0.106 0.000 2.342 518 Y HA 0.549 5.099 4.550 -0.001 0.000 0.334 518 Y C 0.073 175.785 175.900 -0.314 0.000 1.067 518 Y CA -0.501 57.564 58.100 -0.058 0.000 1.128 518 Y CB 1.590 40.182 38.460 0.219 0.000 1.200 518 Y HN 0.448 nan 8.280 nan 0.000 0.464 519 C N 2.268 121.197 119.300 -0.618 0.000 2.797 519 C HA 0.631 5.091 4.460 -0.001 0.000 0.306 519 C C -0.740 173.613 174.990 -1.061 0.000 1.207 519 C CA -0.960 57.616 59.018 -0.736 0.000 1.507 519 C CB 1.812 29.324 27.740 -0.380 0.000 2.028 519 C HN 0.915 nan 8.230 nan 0.000 0.475 520 E N 1.046 120.600 120.200 -1.075 0.000 2.335 520 E HA 0.545 4.895 4.350 -0.001 0.000 0.280 520 E C -1.608 174.820 176.600 -0.286 0.000 0.918 520 E CA 0.038 56.065 56.400 -0.621 0.000 0.765 520 E CB 1.979 31.394 29.700 -0.474 0.000 1.218 520 E HN 0.664 nan 8.360 nan 0.000 0.425 521 S N 3.406 119.078 115.700 -0.048 0.000 2.521 521 S HA 0.457 4.927 4.470 -0.001 0.000 0.295 521 S C -0.545 174.142 174.600 0.144 0.000 1.098 521 S CA -0.533 57.770 58.200 0.173 0.000 0.999 521 S CB 0.653 64.024 63.200 0.285 0.000 1.034 521 S HN 0.514 nan 8.310 nan 0.000 0.483 522 F N 3.160 123.192 119.950 0.136 0.000 2.797 522 F HA 0.385 4.912 4.527 -0.001 0.000 0.302 522 F C 1.273 177.105 175.800 0.054 0.000 1.130 522 F CA 0.249 58.312 58.000 0.106 0.000 1.387 522 F CB 0.193 39.257 39.000 0.106 0.000 1.107 522 F HN 0.511 nan 8.300 nan 0.000 0.577 523 L N -1.314 119.986 121.223 0.128 0.000 2.590 523 L HA 0.436 4.776 4.340 -0.001 0.000 0.227 523 L C 1.080 177.983 176.870 0.055 0.000 1.099 523 L CA 0.374 55.223 54.840 0.015 0.000 0.872 523 L CB -0.322 41.587 42.059 -0.250 0.000 1.088 523 L HN 0.188 nan 8.230 nan 0.000 0.479 524 G N -0.421 108.429 108.800 0.083 0.000 2.343 524 G HA2 -0.050 3.909 3.960 -0.001 0.000 0.562 524 G HA3 -0.050 3.909 3.960 -0.001 0.000 0.562 524 G C 0.293 175.237 174.900 0.073 0.000 1.269 524 G CA -0.028 45.110 45.100 0.062 0.000 1.011 524 G HN -0.035 nan 8.290 nan 0.000 0.498 525 E N -1.386 118.842 120.200 0.047 0.000 2.051 525 E HA 0.063 4.413 4.350 -0.001 0.000 0.192 525 E C 2.660 179.278 176.600 0.030 0.000 0.991 525 E CA 3.053 59.471 56.400 0.029 0.000 0.799 525 E CB -1.339 28.374 29.700 0.021 0.000 0.748 525 E HN 1.951 nan 8.360 nan 0.000 0.449 526 E N 0.011 120.239 120.200 0.047 0.000 2.072 526 E HA -0.195 4.155 4.350 -0.001 0.000 0.191 526 E C 1.978 178.610 176.600 0.054 0.000 0.985 526 E CA 1.596 58.021 56.400 0.041 0.000 0.801 526 E CB -0.948 28.780 29.700 0.046 0.000 0.750 526 E HN 0.879 nan 8.360 nan 0.000 0.452 527 H N -0.105 118.966 119.070 0.002 0.000 2.353 527 H HA 0.035 4.591 4.556 -0.001 0.000 0.300 527 H C 2.321 177.643 175.328 -0.010 0.000 1.090 527 H CA 1.882 57.934 56.048 0.006 0.000 1.327 527 H CB 0.044 29.821 29.762 0.025 0.000 1.383 527 H HN 0.314 nan 8.280 nan 0.000 0.508 528 R N 0.666 121.153 120.500 -0.022 0.000 2.105 528 R HA -0.123 4.216 4.340 -0.001 0.000 0.239 528 R C 1.944 178.159 176.300 -0.141 0.000 1.135 528 R CA 1.658 57.692 56.100 -0.109 0.000 0.967 528 R CB 0.014 30.275 30.300 -0.065 0.000 0.861 528 R HN 0.360 nan 8.270 nan 0.000 0.442 529 K N -0.143 120.200 120.400 -0.095 0.000 2.148 529 K HA -0.192 4.128 4.320 -0.001 0.000 0.204 529 K C 2.111 178.642 176.600 -0.115 0.000 1.050 529 K CA 1.221 57.452 56.287 -0.093 0.000 0.942 529 K CB -0.047 32.419 32.500 -0.056 0.000 0.724 529 K HN 0.069 nan 8.250 nan 0.000 0.446 530 Q N 1.456 121.175 119.800 -0.135 0.000 2.079 530 Q HA -0.057 4.282 4.340 -0.001 0.000 0.200 530 Q C 1.800 177.690 176.000 -0.183 0.000 0.974 530 Q CA 1.313 57.028 55.803 -0.146 0.000 0.840 530 Q CB -0.164 28.486 28.738 -0.147 0.000 0.898 530 Q HN 0.276 nan 8.270 nan 0.000 0.430 531 I N 0.425 120.843 120.570 -0.254 0.000 2.151 531 I HA -0.334 3.835 4.170 -0.001 0.000 0.243 531 I C 2.115 178.110 176.117 -0.203 0.000 1.080 531 I CA 1.711 62.892 61.300 -0.197 0.000 1.339 531 I CB -0.357 37.528 38.000 -0.191 0.000 1.039 531 I HN 0.344 nan 8.210 nan 0.000 0.409 532 E N 0.686 120.767 120.200 -0.198 0.000 2.058 532 E HA -0.301 4.048 4.350 -0.001 0.000 0.194 532 E C 2.184 178.665 176.600 -0.199 0.000 0.997 532 E CA 1.422 57.699 56.400 -0.204 0.000 0.801 532 E CB -0.163 29.442 29.700 -0.158 0.000 0.746 532 E HN 0.385 nan 8.360 nan 0.000 0.450 533 K N 1.144 121.453 120.400 -0.151 0.000 2.032 533 K HA -0.216 4.104 4.320 -0.001 0.000 0.209 533 K C 1.911 178.425 176.600 -0.143 0.000 1.048 533 K CA 1.616 57.829 56.287 -0.123 0.000 0.927 533 K CB 0.060 32.507 32.500 -0.089 0.000 0.712 533 K HN 0.084 nan 8.250 nan 0.000 0.441 534 E N -0.155 119.953 120.200 -0.153 0.000 2.150 534 E HA -0.153 4.197 4.350 -0.001 0.000 0.193 534 E C 1.950 178.394 176.600 -0.261 0.000 0.985 534 E CA 0.788 57.103 56.400 -0.141 0.000 0.814 534 E CB -0.053 29.603 29.700 -0.074 0.000 0.752 534 E HN 0.432 nan 8.360 nan 0.000 0.466 535 A N 1.079 123.593 122.820 -0.509 0.000 1.877 535 A HA -0.147 4.173 4.320 -0.001 0.000 0.216 535 A C 2.516 179.765 177.584 -0.559 0.000 1.186 535 A CA 1.169 52.541 52.037 -1.107 0.000 0.620 535 A CB -0.714 17.451 19.000 -1.392 0.000 0.822 535 A HN 0.112 nan 8.150 nan 0.000 0.443 536 V N 0.188 119.911 119.914 -0.318 0.000 2.343 536 V HA -0.236 3.883 4.120 -0.001 0.000 0.247 536 V C 3.112 179.131 176.094 -0.125 0.000 1.051 536 V CA 2.709 64.918 62.300 -0.152 0.000 1.036 536 V CB -1.423 30.351 31.823 -0.082 0.000 0.654 536 V HN 0.803 nan 8.190 nan 0.000 0.451 537 E N 0.120 120.246 120.200 -0.123 0.000 2.038 537 E HA -0.274 4.076 4.350 -0.001 0.000 0.195 537 E C 1.969 178.529 176.600 -0.067 0.000 1.000 537 E CA 2.058 58.411 56.400 -0.079 0.000 0.803 537 E CB -0.697 28.966 29.700 -0.063 0.000 0.750 537 E HN 0.656 nan 8.360 nan 0.000 0.448 538 I N 0.296 120.822 120.570 -0.073 0.000 2.163 538 I HA -0.233 3.936 4.170 -0.001 0.000 0.243 538 I C 2.650 178.755 176.117 -0.019 0.000 1.085 538 I CA 1.285 62.583 61.300 -0.004 0.000 1.347 538 I CB -0.174 37.889 38.000 0.105 0.000 1.044 538 I HN 0.223 nan 8.210 nan 0.000 0.408 539 V N -0.045 119.821 119.914 -0.079 0.000 2.358 539 V HA -0.254 3.866 4.120 -0.001 0.000 0.246 539 V C 2.520 178.523 176.094 -0.152 0.000 1.047 539 V CA 2.064 64.287 62.300 -0.128 0.000 1.035 539 V CB -0.478 31.196 31.823 -0.249 0.000 0.658 539 V HN 0.369 nan 8.190 nan 0.000 0.452 540 S N -0.197 115.427 115.700 -0.127 0.000 2.359 540 S HA -0.235 4.234 4.470 -0.001 0.000 0.224 540 S C 2.353 176.917 174.600 -0.060 0.000 1.035 540 S CA 1.789 59.934 58.200 -0.091 0.000 1.018 540 S CB -0.485 62.680 63.200 -0.058 0.000 0.876 540 S HN 0.822 nan 8.310 nan 0.000 0.448 541 E N 0.985 121.158 120.200 -0.044 0.000 2.077 541 E HA -0.126 4.224 4.350 -0.001 0.000 0.193 541 E C 2.261 178.847 176.600 -0.023 0.000 0.989 541 E CA 1.645 58.031 56.400 -0.025 0.000 0.800 541 E CB -1.326 28.367 29.700 -0.012 0.000 0.746 541 E HN 0.595 nan 8.360 nan 0.000 0.452 542 V N -1.891 118.008 119.914 -0.025 0.000 3.041 542 V HA 0.145 4.265 4.120 -0.001 0.000 0.260 542 V C 2.153 178.229 176.094 -0.030 0.000 1.105 542 V CA 1.393 63.681 62.300 -0.018 0.000 1.125 542 V CB -0.269 31.551 31.823 -0.005 0.000 0.730 542 V HN 0.459 nan 8.190 nan 0.000 0.479 543 L N -0.412 120.780 121.223 -0.051 0.000 2.728 543 L HA 0.333 4.672 4.340 -0.001 0.000 0.238 543 L C 2.745 179.593 176.870 -0.036 0.000 1.143 543 L CA 0.519 55.327 54.840 -0.053 0.000 0.937 543 L CB -0.518 41.485 42.059 -0.094 0.000 1.225 543 L HN 0.413 nan 8.230 nan 0.000 0.507 544 K N 0.407 120.790 120.400 -0.029 0.000 2.147 544 K HA -0.133 4.187 4.320 -0.001 0.000 0.205 544 K C 1.473 178.065 176.600 -0.013 0.000 1.049 544 K CA 1.664 57.939 56.287 -0.020 0.000 0.936 544 K CB -0.555 31.935 32.500 -0.017 0.000 0.722 544 K HN 0.374 nan 8.250 nan 0.000 0.446 545 N N -0.287 118.406 118.700 -0.011 0.000 2.280 545 N HA 0.204 4.944 4.740 -0.001 0.000 0.192 545 N C 0.862 176.369 175.510 -0.004 0.000 1.109 545 N CA 0.563 53.610 53.050 -0.006 0.000 0.855 545 N CB 0.318 38.803 38.487 -0.004 0.000 0.974 545 N HN 0.587 nan 8.380 nan 0.000 0.482 546 A N 0.000 122.816 122.820 -0.007 0.000 2.254 546 A HA 0.000 4.320 4.320 -0.001 0.000 0.244 546 A CA 0.000 52.035 52.037 -0.004 0.000 0.836 546 A CB 0.000 18.996 19.000 -0.007 0.000 0.831 546 A HN 0.000 nan 8.150 nan 0.000 0.486