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 2agv_1_A DATA FIRST_RESID 1 DATA SEQUENCE MEAAHSKSTE ECLAYFGVSE TTGLTPDQVK RHLEKYGHNE LPAEEGKSLW DATA SEQUENCE ELVIEQFEDL LVRILLLAAC ISFVLAWFEE GEETITAFVE PFVILLILIA DATA SEQUENCE NAIVGVWQER NAENAIEALK EYEPEMGKVY RADRKSVQRI KARDIVPGDI DATA SEQUENCE VEVAVGDKVP ADIRILSIKS TTLRVDQSIL TGESVSVIKH TEPVPDPRAV DATA SEQUENCE NQDKKNMLFS GTNIAAGKAL GIVATTGVST EIGKIRDQMA ATEQDKTPLQ DATA SEQUENCE QKLDEFGEQL SKVISLICVA VWLINIGHFN DPVHGGSWIR GAIYYFKIAV DATA SEQUENCE ALAVAAIPEG LPAVITTCLA LGTRRMAKKN AIVRSLPSVE TLGCTSVICS DATA SEQUENCE DKTGTLTTNQ MSVCKMFIID KVDGDFCSLN EFSITGSTYA PEGEVLKNDK DATA SEQUENCE PIRSGQFDGL VELATICALC NDSSLDFNET KGVYEKVGEA TETALTTLVE DATA SEQUENCE KMNVFNTEVR NLSKVERANA CNSVIRQLMK KEFTLEFSRD RKSMSVYCSP DATA SEQUENCE AKSSRAAVGN KMFVKGAPEG VIDRCNYVRV GTTRVPMTGP VKEKILSVIK DATA SEQUENCE EWGTGRDTLR CLALATRDTP PKREEMVLDD SSRFMEYETD LTFVGVVGML DATA SEQUENCE DPPRKEVMGS IQLCRDAGIR VIMITGDNKG TAIAICRRIG IFGENEEVAD DATA SEQUENCE RAYTGREFDD LPLAEQREAC RRACCFARVE PSHKSKIVEY LQSYDEITAM DATA SEQUENCE TGDGVNDAPA LKKAEIGIAM GSGTAVAKTA SEMVLADDNF STIVAAVEEG DATA SEQUENCE RAIYNNMKQF IRYLISSNVG EVVCIFLTAA LGLPEALIPV QLLWVNLVTD DATA SEQUENCE GLPATALGFN PPDLDIMDRP PRSPKEPLIS GWLFFRYMAI GGYVGAATVG DATA SEQUENCE AAAWWFMYAE DGPGVTYHQL THFMQcTEDH PHFEGLDcEI FEAPEPMTMA DATA SEQUENCE LSVLVTIEMC NALNSLSENQ SLMRMPPWVN IWLLGSICLS MSLHFLILYV DATA SEQUENCE DPLPMIFKLK ALDLTQWLMV LKISLPVIGL DEILKFIARN YLEG VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.236 176.300 -0.107 0.000 1.140 1 M CA 0.000 55.148 55.300 -0.254 0.000 0.988 1 M CB 0.000 32.338 32.600 -0.437 0.000 1.302 2 E N -0.023 120.141 120.200 -0.061 0.000 2.516 2 E HA 0.138 4.340 4.350 -0.247 0.000 0.199 2 E C 0.894 177.504 176.600 0.017 0.000 1.069 2 E CA 1.138 57.541 56.400 0.005 0.000 0.876 2 E CB 0.298 30.019 29.700 0.034 0.000 0.843 2 E HN 0.612 nan 8.360 nan 0.000 0.530 3 A N 0.571 123.340 122.820 -0.086 0.000 2.345 3 A HA 0.534 4.705 4.320 -0.247 0.000 0.225 3 A C 2.165 179.575 177.584 -0.290 0.000 1.243 3 A CA 0.453 52.391 52.037 -0.166 0.000 0.875 3 A CB -0.228 18.659 19.000 -0.187 0.000 0.929 3 A HN 0.389 nan 8.150 nan 0.000 0.502 4 A N 1.266 123.999 122.820 -0.144 0.000 1.940 4 A HA -0.317 3.854 4.320 -0.247 0.000 0.221 4 A C 2.052 179.566 177.584 -0.117 0.000 1.190 4 A CA 2.065 54.040 52.037 -0.103 0.000 0.647 4 A CB -1.199 17.796 19.000 -0.007 0.000 0.821 4 A HN 0.912 nan 8.150 nan 0.000 0.457 5 H N -0.005 119.052 119.070 -0.022 0.000 2.387 5 H HA -0.119 4.289 4.556 -0.247 0.000 0.299 5 H C 1.974 177.293 175.328 -0.015 0.000 1.099 5 H CA 2.004 58.042 56.048 -0.017 0.000 1.315 5 H CB -0.881 28.883 29.762 0.003 0.000 1.380 5 H HN 0.606 nan 8.280 nan 0.000 0.513 6 S N 0.264 115.564 115.700 -0.667 0.000 2.496 6 S HA 0.070 4.391 4.470 -0.247 0.000 0.224 6 S C 0.879 175.367 174.600 -0.187 0.000 0.996 6 S CA -0.295 57.694 58.200 -0.351 0.000 0.927 6 S CB 0.257 63.201 63.200 -0.426 0.000 0.774 6 S HN 0.095 nan 8.310 nan 0.000 0.524 7 K N 3.043 123.335 120.400 -0.180 0.000 2.118 7 K HA 0.388 4.560 4.320 -0.247 0.000 0.264 7 K C 0.607 177.173 176.600 -0.056 0.000 1.000 7 K CA -0.092 56.132 56.287 -0.104 0.000 0.929 7 K CB 1.364 33.801 32.500 -0.105 0.000 1.021 7 K HN 0.458 nan 8.250 nan 0.000 0.463 8 S N -0.361 115.319 115.700 -0.033 0.000 2.624 8 S HA 0.021 4.342 4.470 -0.247 0.000 0.263 8 S C 1.349 175.949 174.600 -0.000 0.000 1.287 8 S CA -0.077 58.114 58.200 -0.015 0.000 0.990 8 S CB 0.938 64.132 63.200 -0.010 0.000 0.950 8 S HN 0.561 nan 8.310 nan 0.000 0.561 9 T N 0.445 115.003 114.554 0.006 0.000 2.833 9 T HA -0.065 4.137 4.350 -0.247 0.000 0.269 9 T C 1.452 176.170 174.700 0.030 0.000 1.054 9 T CA 1.839 63.950 62.100 0.018 0.000 1.135 9 T CB -0.653 68.222 68.868 0.012 0.000 0.869 9 T HN 0.721 nan 8.240 nan 0.000 0.466 10 E N 0.998 121.212 120.200 0.024 0.000 2.046 10 E HA -0.033 4.169 4.350 -0.247 0.000 0.190 10 E C 2.226 178.855 176.600 0.047 0.000 0.982 10 E CA 1.077 57.495 56.400 0.031 0.000 0.800 10 E CB -0.173 29.538 29.700 0.019 0.000 0.756 10 E HN 0.581 nan 8.360 nan 0.000 0.449 11 E N -0.435 119.787 120.200 0.037 0.000 2.153 11 E HA -0.174 4.027 4.350 -0.247 0.000 0.194 11 E C 1.864 178.517 176.600 0.089 0.000 0.988 11 E CA 1.184 57.612 56.400 0.047 0.000 0.811 11 E CB -0.108 29.600 29.700 0.012 0.000 0.746 11 E HN 0.277 nan 8.360 nan 0.000 0.466 12 C N 0.217 119.572 119.300 0.093 0.000 2.450 12 C HA -0.011 4.301 4.460 -0.247 0.000 0.279 12 C C 2.465 177.624 174.990 0.282 0.000 1.335 12 C CA 0.171 59.295 59.018 0.176 0.000 1.749 12 C CB -0.746 27.082 27.740 0.148 0.000 1.963 12 C HN 0.396 nan 8.230 nan 0.000 0.501 13 L N 1.147 122.479 121.223 0.183 0.000 2.056 13 L HA -0.100 4.092 4.340 -0.247 0.000 0.207 13 L C 2.912 179.890 176.870 0.180 0.000 1.078 13 L CA 1.539 56.485 54.840 0.176 0.000 0.749 13 L CB -0.776 41.342 42.059 0.099 0.000 0.901 13 L HN 0.309 nan 8.230 nan 0.000 0.433 14 A N -0.535 122.365 122.820 0.134 0.000 1.877 14 A HA -0.303 3.869 4.320 -0.247 0.000 0.216 14 A C 2.212 179.854 177.584 0.096 0.000 1.186 14 A CA 1.649 53.744 52.037 0.096 0.000 0.620 14 A CB -1.033 18.007 19.000 0.066 0.000 0.822 14 A HN 0.465 nan 8.150 nan 0.000 0.443 15 Y N -0.795 119.499 120.300 -0.011 0.000 2.151 15 Y HA -0.249 4.153 4.550 -0.247 0.000 0.284 15 Y C 1.662 177.466 175.900 -0.159 0.000 1.166 15 Y CA 2.217 60.231 58.100 -0.143 0.000 1.163 15 Y CB -0.294 37.991 38.460 -0.292 0.000 0.974 15 Y HN 0.276 nan 8.280 nan 0.000 0.511 16 F N -0.197 119.845 119.950 0.153 0.000 2.776 16 F HA 0.277 4.656 4.527 -0.247 0.000 0.300 16 F C 1.731 177.595 175.800 0.107 0.000 1.116 16 F CA 0.635 58.711 58.000 0.127 0.000 1.375 16 F CB -0.109 39.037 39.000 0.244 0.000 1.109 16 F HN 0.091 nan 8.300 nan 0.000 0.585 17 G N 1.754 110.677 108.800 0.204 0.000 2.314 17 G HA2 -0.168 3.644 3.960 -0.247 0.000 0.292 17 G HA3 -0.168 3.644 3.960 -0.247 0.000 0.292 17 G C -0.383 174.594 174.900 0.129 0.000 1.059 17 G CA 0.388 45.564 45.100 0.127 0.000 0.982 17 G HN 0.366 nan 8.290 nan 0.000 0.505 18 V N -0.798 119.201 119.914 0.142 0.000 2.914 18 V HA 0.883 4.855 4.120 -0.247 0.000 0.314 18 V C 0.230 176.361 176.094 0.063 0.000 1.084 18 V CA -0.006 62.349 62.300 0.091 0.000 0.963 18 V CB 2.242 34.122 31.823 0.094 0.000 1.025 18 V HN 0.890 nan 8.190 nan 0.000 0.432 19 S N 2.765 118.486 115.700 0.034 0.000 2.462 19 S HA 0.320 4.642 4.470 -0.247 0.000 0.294 19 S C 0.835 175.439 174.600 0.006 0.000 1.144 19 S CA 0.029 58.240 58.200 0.019 0.000 1.088 19 S CB 1.398 64.603 63.200 0.007 0.000 1.009 19 S HN 0.977 nan 8.310 nan 0.000 0.484 20 E N 2.331 122.529 120.200 -0.003 0.000 2.160 20 E HA -0.157 4.044 4.350 -0.247 0.000 0.195 20 E C 1.534 178.088 176.600 -0.075 0.000 0.991 20 E CA 1.799 58.183 56.400 -0.026 0.000 0.810 20 E CB -0.010 29.674 29.700 -0.026 0.000 0.742 20 E HN 0.859 nan 8.360 nan 0.000 0.466 21 T N -3.079 111.431 114.554 -0.072 0.000 3.054 21 T HA -0.011 4.191 4.350 -0.247 0.000 0.259 21 T C 1.806 176.454 174.700 -0.088 0.000 1.092 21 T CA 1.114 63.147 62.100 -0.111 0.000 1.121 21 T CB 0.136 68.958 68.868 -0.078 0.000 0.912 21 T HN 0.192 nan 8.240 nan 0.000 0.489 22 T N -2.458 112.077 114.554 -0.033 0.000 2.964 22 T HA 0.558 4.759 4.350 -0.247 0.000 0.249 22 T C 1.341 176.066 174.700 0.042 0.000 1.000 22 T CA 0.449 62.552 62.100 0.005 0.000 0.992 22 T CB -0.064 68.807 68.868 0.004 0.000 1.087 22 T HN 1.115 nan 8.240 nan 0.000 0.489 23 G N 1.673 110.494 108.800 0.035 0.000 2.728 23 G HA2 -0.077 3.735 3.960 -0.247 0.000 0.294 23 G HA3 -0.077 3.735 3.960 -0.247 0.000 0.294 23 G C -0.694 174.212 174.900 0.010 0.000 1.342 23 G CA -0.583 44.545 45.100 0.046 0.000 0.866 23 G HN 0.628 nan 8.290 nan 0.000 0.534 24 L N 0.897 122.110 121.223 -0.016 0.000 2.467 24 L HA 0.480 4.672 4.340 -0.247 0.000 0.270 24 L C 1.732 178.571 176.870 -0.052 0.000 1.205 24 L CA 0.162 54.964 54.840 -0.064 0.000 0.828 24 L CB 0.627 42.606 42.059 -0.133 0.000 1.101 24 L HN 1.017 nan 8.230 nan 0.000 0.479 25 T N -2.106 112.409 114.554 -0.065 0.000 2.918 25 T HA 0.294 4.496 4.350 -0.247 0.000 0.283 25 T C -1.690 172.977 174.700 -0.054 0.000 1.001 25 T CA -1.886 60.188 62.100 -0.044 0.000 1.041 25 T CB 1.476 70.324 68.868 -0.033 0.000 1.028 25 T HN 0.440 nan 8.240 nan 0.000 0.511 26 P HA -0.123 nan 4.420 nan 0.000 0.220 26 P C 0.802 178.082 177.300 -0.032 0.000 1.144 26 P CA 1.237 64.320 63.100 -0.029 0.000 0.800 26 P CB 0.108 31.799 31.700 -0.015 0.000 0.772 27 D N -0.234 120.146 120.400 -0.034 0.000 2.137 27 D HA -0.130 4.361 4.640 -0.247 0.000 0.202 27 D C 2.231 178.503 176.300 -0.046 0.000 0.970 27 D CA 1.089 55.073 54.000 -0.027 0.000 0.837 27 D CB -0.358 40.432 40.800 -0.017 0.000 0.981 27 D HN 0.084 nan 8.370 nan 0.000 0.475 28 Q N -0.322 119.418 119.800 -0.101 0.000 2.084 28 Q HA -0.091 4.100 4.340 -0.247 0.000 0.202 28 Q C 2.357 178.192 176.000 -0.275 0.000 0.978 28 Q CA 1.099 56.757 55.803 -0.242 0.000 0.844 28 Q CB 0.068 28.578 28.738 -0.381 0.000 0.898 28 Q HN 0.207 nan 8.270 nan 0.000 0.426 29 V N 1.337 121.151 119.914 -0.167 0.000 2.332 29 V HA -0.303 3.668 4.120 -0.247 0.000 0.248 29 V C 1.955 178.042 176.094 -0.011 0.000 1.055 29 V CA 1.957 64.208 62.300 -0.081 0.000 1.038 29 V CB -0.385 31.407 31.823 -0.051 0.000 0.651 29 V HN 0.316 nan 8.190 nan 0.000 0.450 30 K N -0.335 120.058 120.400 -0.011 0.000 2.062 30 K HA -0.077 4.095 4.320 -0.247 0.000 0.205 30 K C 2.383 179.000 176.600 0.028 0.000 1.051 30 K CA 1.119 57.410 56.287 0.006 0.000 0.941 30 K CB -0.217 32.284 32.500 0.003 0.000 0.719 30 K HN 0.373 nan 8.250 nan 0.000 0.440 31 R N 0.104 120.634 120.500 0.051 0.000 2.066 31 R HA -0.067 4.125 4.340 -0.247 0.000 0.232 31 R C 2.212 178.598 176.300 0.144 0.000 1.131 31 R CA 1.395 57.545 56.100 0.083 0.000 0.955 31 R CB -0.388 29.979 30.300 0.112 0.000 0.851 31 R HN 0.414 nan 8.270 nan 0.000 0.432 32 H N -0.168 118.926 119.070 0.040 0.000 2.421 32 H HA -0.116 4.292 4.556 -0.247 0.000 0.298 32 H C 2.060 177.459 175.328 0.118 0.000 1.087 32 H CA 1.026 57.162 56.048 0.146 0.000 1.330 32 H CB 0.140 30.045 29.762 0.238 0.000 1.388 32 H HN 0.068 nan 8.280 nan 0.000 0.526 33 L N 1.282 122.593 121.223 0.146 0.000 2.027 33 L HA -0.114 4.078 4.340 -0.247 0.000 0.206 33 L C 1.976 178.815 176.870 -0.052 0.000 1.074 33 L CA 1.608 56.445 54.840 -0.004 0.000 0.745 33 L CB -0.132 41.867 42.059 -0.099 0.000 0.898 33 L HN -0.010 nan 8.230 nan 0.000 0.433 34 E N -0.339 119.839 120.200 -0.038 0.000 2.204 34 E HA -0.203 3.999 4.350 -0.247 0.000 0.194 34 E C 2.116 178.662 176.600 -0.090 0.000 0.989 34 E CA 0.993 57.364 56.400 -0.049 0.000 0.824 34 E CB -0.130 29.551 29.700 -0.031 0.000 0.756 34 E HN 0.472 nan 8.360 nan 0.000 0.477 35 K N -0.917 119.377 120.400 -0.175 0.000 2.098 35 K HA -0.072 4.099 4.320 -0.247 0.000 0.203 35 K C 0.982 177.339 176.600 -0.405 0.000 1.051 35 K CA 0.924 56.986 56.287 -0.375 0.000 0.957 35 K CB 0.030 32.126 32.500 -0.673 0.000 0.738 35 K HN 0.138 nan 8.250 nan 0.000 0.447 36 Y N -0.017 120.289 120.300 0.011 0.000 2.458 36 Y HA 0.303 4.705 4.550 -0.247 0.000 0.254 36 Y C 0.975 176.880 175.900 0.009 0.000 1.120 36 Y CA 0.215 58.325 58.100 0.018 0.000 1.282 36 Y CB 0.641 39.119 38.460 0.030 0.000 1.109 36 Y HN 0.307 nan 8.280 nan 0.000 0.526 37 G N 0.181 109.032 108.800 0.086 0.000 2.828 37 G HA2 -0.218 3.593 3.960 -0.247 0.000 0.463 37 G HA3 -0.218 3.593 3.960 -0.247 0.000 0.463 37 G C -0.700 174.195 174.900 -0.008 0.000 1.394 37 G CA -0.714 44.410 45.100 0.041 0.000 0.862 37 G HN 0.329 nan 8.290 nan 0.000 0.540 38 H N 0.101 119.217 119.070 0.078 0.000 2.615 38 H HA 0.251 4.659 4.556 -0.247 0.000 0.363 38 H C 0.929 176.293 175.328 0.060 0.000 1.148 38 H CA 0.408 56.494 56.048 0.064 0.000 1.401 38 H CB 1.031 30.820 29.762 0.044 0.000 1.461 38 H HN 0.514 nan 8.280 nan 0.000 0.588 39 N N 2.280 121.078 118.700 0.163 0.000 2.807 39 N HA -0.009 4.583 4.740 -0.247 0.000 0.259 39 N C -0.867 174.698 175.510 0.093 0.000 1.149 39 N CA -0.174 52.936 53.050 0.101 0.000 1.042 39 N CB -0.099 38.428 38.487 0.066 0.000 1.367 39 N HN 0.683 nan 8.380 nan 0.000 0.516 40 E N 1.235 121.489 120.200 0.091 0.000 2.396 40 E HA 0.192 4.394 4.350 -0.247 0.000 0.280 40 E C -1.595 175.040 176.600 0.059 0.000 1.065 40 E CA -0.872 55.568 56.400 0.066 0.000 0.831 40 E CB 0.325 30.059 29.700 0.056 0.000 1.272 40 E HN 0.017 nan 8.360 nan 0.000 0.443 41 L N 2.496 123.744 121.223 0.043 0.000 2.371 41 L HA 0.359 4.551 4.340 -0.247 0.000 0.272 41 L C -1.914 174.973 176.870 0.028 0.000 1.124 41 L CA -1.576 53.286 54.840 0.036 0.000 0.816 41 L CB -0.198 41.878 42.059 0.027 0.000 1.129 41 L HN 0.476 nan 8.230 nan 0.000 0.448 42 P HA 0.028 nan 4.420 nan 0.000 0.265 42 P C -0.853 176.453 177.300 0.010 0.000 1.187 42 P CA -0.334 62.779 63.100 0.021 0.000 0.766 42 P CB 0.484 32.197 31.700 0.022 0.000 0.820 43 A N 3.068 125.891 122.820 0.005 0.000 2.388 43 A HA 0.209 4.381 4.320 -0.247 0.000 0.257 43 A C 0.609 178.191 177.584 -0.003 0.000 1.095 43 A CA -0.604 51.431 52.037 -0.003 0.000 0.791 43 A CB -0.339 18.657 19.000 -0.007 0.000 1.029 43 A HN 0.653 nan 8.150 nan 0.000 0.489 44 E N 1.642 121.838 120.200 -0.008 0.000 2.502 44 E HA 0.103 4.305 4.350 -0.247 0.000 0.261 44 E C -0.293 176.304 176.600 -0.004 0.000 0.974 44 E CA -0.187 56.208 56.400 -0.008 0.000 0.936 44 E CB 0.351 30.042 29.700 -0.015 0.000 0.926 44 E HN 0.499 nan 8.360 nan 0.000 0.459 45 E N 2.412 122.611 120.200 -0.002 0.000 2.351 45 E HA 0.138 4.340 4.350 -0.247 0.000 0.266 45 E C 0.072 176.674 176.600 0.003 0.000 1.031 45 E CA 0.357 56.759 56.400 0.002 0.000 0.911 45 E CB 0.587 30.290 29.700 0.005 0.000 0.986 45 E HN 0.598 nan 8.360 nan 0.000 0.446 46 G N 4.308 113.111 108.800 0.005 0.000 2.432 46 G HA2 0.077 3.889 3.960 -0.247 0.000 0.239 46 G HA3 0.077 3.889 3.960 -0.247 0.000 0.239 46 G C -0.530 174.379 174.900 0.016 0.000 1.291 46 G CA -0.250 44.856 45.100 0.009 0.000 0.863 46 G HN 0.470 nan 8.290 nan 0.000 0.560 47 K N 1.331 121.741 120.400 0.017 0.000 2.616 47 K HA 0.362 4.533 4.320 -0.247 0.000 0.241 47 K C 0.487 177.110 176.600 0.039 0.000 0.961 47 K CA -0.537 55.766 56.287 0.026 0.000 0.942 47 K CB 0.785 33.292 32.500 0.013 0.000 1.153 47 K HN 0.632 nan 8.250 nan 0.000 0.452 48 S N 3.308 119.045 115.700 0.062 0.000 2.576 48 S HA -0.018 4.304 4.470 -0.247 0.000 0.272 48 S C 1.298 175.958 174.600 0.100 0.000 1.352 48 S CA -0.646 57.606 58.200 0.086 0.000 1.021 48 S CB 0.834 64.106 63.200 0.119 0.000 0.887 48 S HN 0.668 nan 8.310 nan 0.000 0.542 49 L N 1.959 123.246 121.223 0.107 0.000 2.012 49 L HA -0.042 4.150 4.340 -0.247 0.000 0.210 49 L C 2.105 179.044 176.870 0.116 0.000 1.073 49 L CA 1.947 56.845 54.840 0.096 0.000 0.748 49 L CB -0.992 41.130 42.059 0.105 0.000 0.891 49 L HN 0.928 nan 8.230 nan 0.000 0.431 50 W N 0.839 122.151 121.300 0.021 0.000 2.381 50 W HA -0.179 4.335 4.660 -0.244 0.000 0.301 50 W C 2.140 178.676 176.519 0.028 0.000 1.205 50 W CA 1.931 59.291 57.345 0.024 0.000 1.285 50 W CB -0.111 29.357 29.460 0.013 0.000 1.133 50 W HN 0.362 nan 8.180 nan 0.000 0.521 51 E N 0.352 120.692 120.200 0.234 0.000 2.110 51 E HA -0.260 3.942 4.350 -0.247 0.000 0.193 51 E C 2.050 178.666 176.600 0.027 0.000 0.988 51 E CA 1.422 57.908 56.400 0.143 0.000 0.804 51 E CB -0.574 29.202 29.700 0.126 0.000 0.745 51 E HN 0.142 nan 8.360 nan 0.000 0.458 52 L N 0.877 122.108 121.223 0.012 0.000 1.976 52 L HA -0.178 4.014 4.340 -0.247 0.000 0.209 52 L C 2.296 179.131 176.870 -0.058 0.000 1.071 52 L CA 1.473 56.303 54.840 -0.017 0.000 0.746 52 L CB -0.659 41.395 42.059 -0.008 0.000 0.890 52 L HN -0.066 nan 8.230 nan 0.000 0.432 53 V N 0.369 120.216 119.914 -0.113 0.000 2.250 53 V HA -0.388 3.583 4.120 -0.247 0.000 0.253 53 V C 2.572 178.618 176.094 -0.080 0.000 1.065 53 V CA 2.150 64.362 62.300 -0.147 0.000 1.039 53 V CB -0.862 30.757 31.823 -0.340 0.000 0.647 53 V HN 0.448 nan 8.190 nan 0.000 0.446 54 I N 0.083 120.540 120.570 -0.188 0.000 2.248 54 I HA -0.241 3.781 4.170 -0.247 0.000 0.248 54 I C 2.498 178.642 176.117 0.045 0.000 1.107 54 I CA 1.661 62.919 61.300 -0.071 0.000 1.373 54 I CB -1.390 36.571 38.000 -0.065 0.000 1.055 54 I HN 0.536 nan 8.210 nan 0.000 0.418 55 E N 0.334 120.539 120.200 0.009 0.000 2.152 55 E HA -0.182 4.019 4.350 -0.247 0.000 0.192 55 E C 1.804 178.394 176.600 -0.016 0.000 0.983 55 E CA 0.499 56.904 56.400 0.008 0.000 0.818 55 E CB -0.135 29.562 29.700 -0.006 0.000 0.758 55 E HN 0.503 nan 8.360 nan 0.000 0.467 56 Q N -0.437 119.329 119.800 -0.057 0.000 2.561 56 Q HA -0.076 4.115 4.340 -0.247 0.000 0.217 56 Q C 0.376 176.144 176.000 -0.388 0.000 0.980 56 Q CA 0.891 56.572 55.803 -0.204 0.000 0.927 56 Q CB -0.021 28.562 28.738 -0.259 0.000 0.980 56 Q HN 0.299 nan 8.270 nan 0.000 0.525 57 F N -1.041 118.866 119.950 -0.072 0.000 2.814 57 F HA 0.220 4.599 4.527 -0.248 0.000 0.326 57 F C 1.543 177.315 175.800 -0.047 0.000 1.159 57 F CA -0.370 57.592 58.000 -0.065 0.000 1.234 57 F CB 0.710 39.660 39.000 -0.084 0.000 1.016 57 F HN 0.009 nan 8.300 nan 0.000 0.510 58 E N 0.020 120.260 120.200 0.066 0.000 2.307 58 E HA -0.053 4.149 4.350 -0.247 0.000 0.195 58 E C 0.352 176.964 176.600 0.021 0.000 0.975 58 E CA 0.003 56.429 56.400 0.044 0.000 0.878 58 E CB 0.279 29.992 29.700 0.023 0.000 0.845 58 E HN 0.277 nan 8.360 nan 0.000 0.488 59 D N 0.159 120.556 120.400 -0.004 0.000 2.478 59 D HA -0.123 4.368 4.640 -0.247 0.000 0.234 59 D C 1.110 177.408 176.300 -0.004 0.000 1.154 59 D CA 0.241 54.233 54.000 -0.013 0.000 0.874 59 D CB 0.828 41.607 40.800 -0.036 0.000 1.198 59 D HN 0.056 nan 8.370 nan 0.000 0.455 60 L N 2.785 124.000 121.223 -0.013 0.000 2.093 60 L HA -0.126 4.066 4.340 -0.247 0.000 0.208 60 L C 2.035 178.889 176.870 -0.026 0.000 1.085 60 L CA 0.786 55.614 54.840 -0.020 0.000 0.755 60 L CB -0.117 41.920 42.059 -0.036 0.000 0.904 60 L HN 0.604 nan 8.230 nan 0.000 0.435 61 L N -1.007 120.196 121.223 -0.033 0.000 2.156 61 L HA -0.123 4.069 4.340 -0.247 0.000 0.208 61 L C 2.503 179.364 176.870 -0.015 0.000 1.095 61 L CA 0.861 55.680 54.840 -0.035 0.000 0.770 61 L CB -0.626 41.411 42.059 -0.037 0.000 0.914 61 L HN 0.244 nan 8.230 nan 0.000 0.439 62 V N -2.711 117.195 119.914 -0.014 0.000 2.759 62 V HA -0.148 3.824 4.120 -0.247 0.000 0.256 62 V C 2.402 178.543 176.094 0.078 0.000 1.080 62 V CA 1.110 63.410 62.300 0.000 0.000 1.101 62 V CB -0.682 31.091 31.823 -0.083 0.000 0.698 62 V HN 0.359 nan 8.190 nan 0.000 0.477 63 R N -0.196 120.342 120.500 0.062 0.000 2.062 63 R HA 0.116 4.308 4.340 -0.247 0.000 0.226 63 R C 2.389 178.710 176.300 0.036 0.000 1.125 63 R CA 1.531 57.672 56.100 0.068 0.000 0.966 63 R CB -0.316 30.009 30.300 0.041 0.000 0.861 63 R HN 0.403 nan 8.270 nan 0.000 0.433 64 I N 1.437 122.013 120.570 0.011 0.000 2.163 64 I HA -0.287 3.735 4.170 -0.247 0.000 0.243 64 I C 2.398 178.522 176.117 0.012 0.000 1.085 64 I CA 1.582 62.880 61.300 -0.004 0.000 1.347 64 I CB -1.057 36.928 38.000 -0.025 0.000 1.044 64 I HN 0.216 nan 8.210 nan 0.000 0.408 65 L N -0.277 120.959 121.223 0.022 0.000 2.017 65 L HA -0.229 3.963 4.340 -0.247 0.000 0.208 65 L C 2.660 179.563 176.870 0.055 0.000 1.073 65 L CA 0.942 55.804 54.840 0.036 0.000 0.745 65 L CB -0.628 41.450 42.059 0.032 0.000 0.894 65 L HN 0.225 nan 8.230 nan 0.000 0.432 66 L N 0.059 121.329 121.223 0.078 0.000 2.021 66 L HA -0.269 3.922 4.340 -0.247 0.000 0.215 66 L C 2.413 179.307 176.870 0.041 0.000 1.074 66 L CA 1.783 56.670 54.840 0.078 0.000 0.760 66 L CB -0.598 41.520 42.059 0.098 0.000 0.889 66 L HN 0.164 nan 8.230 nan 0.000 0.433 67 L N 0.051 121.293 121.223 0.032 0.000 1.970 67 L HA -0.126 4.065 4.340 -0.247 0.000 0.212 67 L C 2.545 179.442 176.870 0.045 0.000 1.071 67 L CA 2.337 57.192 54.840 0.025 0.000 0.751 67 L CB -1.463 40.599 42.059 0.005 0.000 0.889 67 L HN 0.289 nan 8.230 nan 0.000 0.432 68 A N -0.368 122.477 122.820 0.041 0.000 1.986 68 A HA -0.188 3.984 4.320 -0.247 0.000 0.220 68 A C 2.451 180.094 177.584 0.099 0.000 1.171 68 A CA 2.198 54.270 52.037 0.058 0.000 0.640 68 A CB -1.269 17.757 19.000 0.045 0.000 0.811 68 A HN 0.689 nan 8.150 nan 0.000 0.451 69 A N -1.228 121.649 122.820 0.096 0.000 1.930 69 A HA -0.144 4.028 4.320 -0.247 0.000 0.217 69 A C 2.307 179.996 177.584 0.175 0.000 1.175 69 A CA 1.614 53.726 52.037 0.125 0.000 0.627 69 A CB -1.197 17.853 19.000 0.083 0.000 0.815 69 A HN 0.606 nan 8.150 nan 0.000 0.443 70 C N -0.318 119.064 119.300 0.136 0.000 2.446 70 C HA -0.071 4.241 4.460 -0.247 0.000 0.277 70 C C 2.560 177.699 174.990 0.248 0.000 1.275 70 C CA 0.783 59.907 59.018 0.176 0.000 1.727 70 C CB -1.041 26.759 27.740 0.100 0.000 2.010 70 C HN 0.585 nan 8.230 nan 0.000 0.486 71 I N 0.925 121.618 120.570 0.205 0.000 2.179 71 I HA -0.146 3.876 4.170 -0.247 0.000 0.242 71 I C 2.712 178.990 176.117 0.268 0.000 1.088 71 I CA 1.701 63.152 61.300 0.251 0.000 1.357 71 I CB -1.827 36.298 38.000 0.210 0.000 1.051 71 I HN 0.326 nan 8.210 nan 0.000 0.409 72 S N 0.759 116.606 115.700 0.245 0.000 2.370 72 S HA -0.240 4.081 4.470 -0.247 0.000 0.226 72 S C 2.123 176.923 174.600 0.334 0.000 1.033 72 S CA 1.387 59.739 58.200 0.253 0.000 1.011 72 S CB -0.505 62.832 63.200 0.228 0.000 0.852 72 S HN 0.369 nan 8.310 nan 0.000 0.457 73 F N 2.119 122.208 119.950 0.232 0.000 2.075 73 F HA -0.043 4.334 4.527 -0.250 0.000 0.297 73 F C 2.169 178.183 175.800 0.357 0.000 1.113 73 F CA 1.595 59.779 58.000 0.306 0.000 1.218 73 F CB -0.833 38.271 39.000 0.173 0.000 0.984 73 F HN 0.065 nan 8.300 nan 0.000 0.472 74 V N 0.276 120.327 119.914 0.229 0.000 2.287 74 V HA -0.310 3.662 4.120 -0.247 0.000 0.248 74 V C 2.441 178.659 176.094 0.208 0.000 1.053 74 V CA 1.782 64.164 62.300 0.136 0.000 1.027 74 V CB -0.837 31.094 31.823 0.179 0.000 0.646 74 V HN 0.296 nan 8.190 nan 0.000 0.447 75 L N 0.449 121.800 121.223 0.213 0.000 2.017 75 L HA -0.106 4.086 4.340 -0.247 0.000 0.208 75 L C 2.593 179.527 176.870 0.107 0.000 1.073 75 L CA 2.302 57.249 54.840 0.178 0.000 0.745 75 L CB -1.221 40.939 42.059 0.169 0.000 0.894 75 L HN 0.294 nan 8.230 nan 0.000 0.432 76 A N -1.679 121.194 122.820 0.088 0.000 2.076 76 A HA -0.248 3.924 4.320 -0.247 0.000 0.220 76 A C 2.136 179.594 177.584 -0.210 0.000 1.160 76 A CA 1.431 53.401 52.037 -0.111 0.000 0.653 76 A CB -0.808 18.139 19.000 -0.088 0.000 0.801 76 A HN 0.662 nan 8.150 nan 0.000 0.455 77 W N -1.023 120.186 121.300 -0.151 0.000 2.651 77 W HA 0.078 4.588 4.660 -0.250 0.000 0.311 77 W C 0.289 176.811 176.519 0.004 0.000 1.114 77 W CA 0.525 57.824 57.345 -0.076 0.000 1.490 77 W CB -0.633 28.762 29.460 -0.108 0.000 1.182 77 W HN 0.274 nan 8.180 nan 0.000 0.495 78 F N 3.585 123.694 119.950 0.265 0.000 2.659 78 F HA 0.147 4.525 4.527 -0.248 0.000 0.356 78 F C 0.222 176.022 175.800 0.000 0.000 1.273 78 F CA 0.649 58.726 58.000 0.129 0.000 1.243 78 F CB -0.952 38.133 39.000 0.140 0.000 1.683 78 F HN -0.061 nan 8.300 nan 0.000 0.679 79 E N 1.660 121.708 120.200 -0.254 0.000 2.428 79 E HA 0.391 4.593 4.350 -0.247 0.000 0.259 79 E C -1.112 175.296 176.600 -0.320 0.000 0.930 79 E CA -0.753 55.465 56.400 -0.303 0.000 0.823 79 E CB 1.574 31.147 29.700 -0.212 0.000 1.403 79 E HN 0.359 nan 8.360 nan 0.000 0.415 80 E N -0.054 119.995 120.200 -0.252 0.000 2.580 80 E HA 0.477 4.679 4.350 -0.247 0.000 0.248 80 E C -0.654 175.849 176.600 -0.161 0.000 1.018 80 E CA -0.484 55.791 56.400 -0.208 0.000 0.775 80 E CB 1.577 31.158 29.700 -0.200 0.000 1.378 80 E HN 0.634 nan 8.360 nan 0.000 0.401 81 G N 1.565 110.269 108.800 -0.159 0.000 2.428 81 G HA2 0.220 4.032 3.960 -0.247 0.000 0.305 81 G HA3 0.220 4.032 3.960 -0.247 0.000 0.305 81 G C -0.571 174.248 174.900 -0.135 0.000 1.260 81 G CA -0.571 44.449 45.100 -0.133 0.000 0.853 81 G HN 0.280 nan 8.290 nan 0.000 0.480 82 E N -0.888 119.241 120.200 -0.119 0.000 2.712 82 E HA 0.101 4.303 4.350 -0.247 0.000 0.221 82 E C -0.321 176.215 176.600 -0.107 0.000 0.943 82 E CA 0.117 56.450 56.400 -0.112 0.000 1.259 82 E CB 0.494 30.141 29.700 -0.088 0.000 1.167 82 E HN 0.408 nan 8.360 nan 0.000 0.569 83 E N 1.482 121.616 120.200 -0.110 0.000 2.351 83 E HA 0.056 4.258 4.350 -0.247 0.000 0.236 83 E C 0.924 177.449 176.600 -0.125 0.000 1.341 83 E CA 0.212 56.551 56.400 -0.101 0.000 1.579 83 E CB 0.447 30.093 29.700 -0.090 0.000 1.393 83 E HN 0.119 nan 8.360 nan 0.000 0.438 84 T N -0.023 114.445 114.554 -0.142 0.000 3.025 84 T HA -0.127 4.075 4.350 -0.247 0.000 0.270 84 T C 1.533 176.163 174.700 -0.117 0.000 1.126 84 T CA 0.499 62.492 62.100 -0.178 0.000 1.105 84 T CB -0.259 68.503 68.868 -0.176 0.000 0.884 84 T HN 0.349 nan 8.240 nan 0.000 0.522 85 I N 1.122 121.642 120.570 -0.085 0.000 2.700 85 I HA 0.019 4.040 4.170 -0.247 0.000 0.261 85 I C 1.702 177.784 176.117 -0.058 0.000 1.219 85 I CA 1.386 62.651 61.300 -0.057 0.000 1.463 85 I CB -0.105 37.863 38.000 -0.053 0.000 1.092 85 I HN 0.238 nan 8.210 nan 0.000 0.452 86 T N -1.409 113.097 114.554 -0.080 0.000 3.541 86 T HA 0.487 4.688 4.350 -0.247 0.000 0.309 86 T C 1.142 175.789 174.700 -0.089 0.000 0.973 86 T CA 0.309 62.363 62.100 -0.076 0.000 0.993 86 T CB -0.306 68.507 68.868 -0.092 0.000 1.206 86 T HN 0.254 nan 8.240 nan 0.000 0.489 87 A N 0.426 123.158 122.820 -0.146 0.000 1.878 87 A HA 0.335 4.506 4.320 -0.247 0.000 0.213 87 A C 1.085 178.546 177.584 -0.206 0.000 1.192 87 A CA 0.714 52.593 52.037 -0.263 0.000 0.619 87 A CB -0.452 18.252 19.000 -0.494 0.000 0.837 87 A HN 0.504 nan 8.150 nan 0.000 0.446 88 F N -0.221 119.757 119.950 0.047 0.000 2.692 88 F HA 0.168 4.544 4.527 -0.251 0.000 0.303 88 F C 1.822 177.708 175.800 0.144 0.000 1.114 88 F CA -0.508 57.566 58.000 0.123 0.000 1.361 88 F CB -0.287 38.795 39.000 0.137 0.000 1.063 88 F HN -0.024 nan 8.300 nan 0.000 0.550 89 V N -0.106 119.939 119.914 0.218 0.000 2.244 89 V HA -0.287 3.684 4.120 -0.247 0.000 0.244 89 V C 2.488 178.711 176.094 0.215 0.000 1.042 89 V CA 2.221 64.629 62.300 0.180 0.000 1.006 89 V CB -0.461 31.379 31.823 0.028 0.000 0.641 89 V HN 0.361 nan 8.190 nan 0.000 0.446 90 E N 0.798 121.092 120.200 0.157 0.000 2.035 90 E HA -0.246 3.956 4.350 -0.247 0.000 0.204 90 E C -0.070 176.660 176.600 0.216 0.000 1.025 90 E CA 2.373 58.866 56.400 0.155 0.000 0.835 90 E CB -1.036 28.739 29.700 0.126 0.000 0.764 90 E HN 0.506 nan 8.360 nan 0.000 0.457 91 P HA -0.181 nan 4.420 nan 0.000 0.215 91 P C 1.492 178.974 177.300 0.304 0.000 1.153 91 P CA 1.208 64.507 63.100 0.331 0.000 0.853 91 P CB -0.320 31.687 31.700 0.511 0.000 0.788 92 F N 1.202 121.260 119.950 0.181 0.000 2.102 92 F HA -0.161 4.214 4.527 -0.252 0.000 0.298 92 F C 2.266 178.118 175.800 0.088 0.000 1.105 92 F CA 1.165 59.234 58.000 0.115 0.000 1.239 92 F CB -1.100 37.971 39.000 0.118 0.000 0.991 92 F HN -0.318 nan 8.300 nan 0.000 0.474 93 V N 1.011 120.997 119.914 0.121 0.000 2.252 93 V HA -0.358 3.613 4.120 -0.247 0.000 0.249 93 V C 2.502 178.577 176.094 -0.032 0.000 1.056 93 V CA 2.285 64.591 62.300 0.011 0.000 1.022 93 V CB -0.752 31.130 31.823 0.098 0.000 0.641 93 V HN 0.353 nan 8.190 nan 0.000 0.445 94 I N -0.586 120.004 120.570 0.035 0.000 2.091 94 I HA -0.345 3.677 4.170 -0.247 0.000 0.239 94 I C 2.493 178.600 176.117 -0.016 0.000 1.061 94 I CA 1.991 63.308 61.300 0.029 0.000 1.317 94 I CB -0.473 37.570 38.000 0.072 0.000 1.031 94 I HN 0.288 nan 8.210 nan 0.000 0.401 95 L N 0.495 121.700 121.223 -0.029 0.000 2.013 95 L HA -0.284 3.907 4.340 -0.247 0.000 0.212 95 L C 2.620 179.407 176.870 -0.138 0.000 1.073 95 L CA 1.549 56.353 54.840 -0.060 0.000 0.753 95 L CB -0.232 41.785 42.059 -0.068 0.000 0.890 95 L HN 0.291 nan 8.230 nan 0.000 0.432 96 L N -0.374 120.670 121.223 -0.299 0.000 2.043 96 L HA -0.312 3.880 4.340 -0.247 0.000 0.212 96 L C 2.467 179.239 176.870 -0.163 0.000 1.075 96 L CA 1.596 56.240 54.840 -0.327 0.000 0.752 96 L CB -0.206 41.569 42.059 -0.472 0.000 0.891 96 L HN 0.308 nan 8.230 nan 0.000 0.432 97 I N -0.596 119.906 120.570 -0.113 0.000 2.226 97 I HA -0.356 3.665 4.170 -0.247 0.000 0.245 97 I C 2.343 178.410 176.117 -0.084 0.000 1.100 97 I CA 1.272 62.526 61.300 -0.078 0.000 1.374 97 I CB -0.227 37.745 38.000 -0.046 0.000 1.057 97 I HN 0.280 nan 8.210 nan 0.000 0.413 98 L N 0.257 121.441 121.223 -0.065 0.000 2.093 98 L HA -0.206 3.986 4.340 -0.247 0.000 0.208 98 L C 2.504 179.305 176.870 -0.114 0.000 1.085 98 L CA 1.378 56.168 54.840 -0.083 0.000 0.755 98 L CB -0.443 41.662 42.059 0.077 0.000 0.904 98 L HN 0.212 nan 8.230 nan 0.000 0.435 99 I N 0.036 120.576 120.570 -0.050 0.000 2.142 99 I HA -0.298 3.724 4.170 -0.247 0.000 0.240 99 I C 2.874 178.943 176.117 -0.080 0.000 1.078 99 I CA 1.237 62.512 61.300 -0.042 0.000 1.343 99 I CB -0.561 37.408 38.000 -0.053 0.000 1.046 99 I HN 0.197 nan 8.210 nan 0.000 0.405 100 A N 1.000 123.766 122.820 -0.089 0.000 1.927 100 A HA -0.334 3.838 4.320 -0.247 0.000 0.220 100 A C 2.034 179.562 177.584 -0.095 0.000 1.185 100 A CA 2.672 54.657 52.037 -0.086 0.000 0.639 100 A CB -1.082 17.867 19.000 -0.085 0.000 0.820 100 A HN 0.543 nan 8.150 nan 0.000 0.451 101 N N 0.061 118.686 118.700 -0.124 0.000 2.025 101 N HA -0.105 4.487 4.740 -0.247 0.000 0.194 101 N C 1.783 177.193 175.510 -0.167 0.000 1.044 101 N CA 2.390 55.349 53.050 -0.152 0.000 0.851 101 N CB -0.463 37.897 38.487 -0.212 0.000 1.036 101 N HN 0.368 nan 8.380 nan 0.000 0.422 102 A N 0.495 123.177 122.820 -0.231 0.000 1.902 102 A HA -0.082 4.089 4.320 -0.247 0.000 0.217 102 A C 2.412 179.952 177.584 -0.074 0.000 1.181 102 A CA 1.247 53.164 52.037 -0.201 0.000 0.623 102 A CB -0.854 18.027 19.000 -0.199 0.000 0.818 102 A HN 0.437 nan 8.150 nan 0.000 0.443 103 I N -0.453 120.089 120.570 -0.047 0.000 2.127 103 I HA -0.261 3.761 4.170 -0.247 0.000 0.241 103 I C 2.410 178.564 176.117 0.062 0.000 1.075 103 I CA 1.492 62.794 61.300 0.004 0.000 1.334 103 I CB -0.417 37.571 38.000 -0.020 0.000 1.040 103 I HN 0.180 nan 8.210 nan 0.000 0.405 104 V N 1.051 120.986 119.914 0.034 0.000 2.255 104 V HA -0.275 3.697 4.120 -0.247 0.000 0.247 104 V C 2.616 178.820 176.094 0.183 0.000 1.051 104 V CA 2.298 64.674 62.300 0.126 0.000 1.018 104 V CB -1.633 30.220 31.823 0.050 0.000 0.641 104 V HN 0.609 nan 8.190 nan 0.000 0.445 105 G N -0.040 108.795 108.800 0.057 0.000 2.529 105 G HA2 -0.266 3.545 3.960 -0.247 0.000 0.219 105 G HA3 -0.266 3.545 3.960 -0.247 0.000 0.219 105 G C 1.671 176.594 174.900 0.037 0.000 1.177 105 G CA 1.536 46.649 45.100 0.023 0.000 0.773 105 G HN 0.389 nan 8.290 nan 0.000 0.573 106 V N -0.327 119.613 119.914 0.044 0.000 2.295 106 V HA -0.170 3.802 4.120 -0.247 0.000 0.246 106 V C 2.268 178.409 176.094 0.078 0.000 1.049 106 V CA 1.897 64.223 62.300 0.044 0.000 1.024 106 V CB -0.755 31.095 31.823 0.046 0.000 0.648 106 V HN 0.666 nan 8.190 nan 0.000 0.447 107 W N 0.912 122.193 121.300 -0.031 0.000 2.350 107 W HA -0.222 4.295 4.660 -0.238 0.000 0.289 107 W C 2.366 178.872 176.519 -0.021 0.000 1.215 107 W CA 1.941 59.273 57.345 -0.023 0.000 1.236 107 W CB -0.174 29.272 29.460 -0.023 0.000 1.130 107 W HN 0.282 nan 8.180 nan 0.000 0.541 108 Q N -0.380 119.312 119.800 -0.180 0.000 2.083 108 Q HA -0.168 4.024 4.340 -0.247 0.000 0.198 108 Q C 2.069 177.878 176.000 -0.318 0.000 0.969 108 Q CA 1.368 56.934 55.803 -0.396 0.000 0.838 108 Q CB -0.369 28.296 28.738 -0.122 0.000 0.900 108 Q HN 0.339 nan 8.270 nan 0.000 0.436 109 E N 0.664 120.758 120.200 -0.177 0.000 2.204 109 E HA -0.147 4.055 4.350 -0.247 0.000 0.194 109 E C 1.908 178.416 176.600 -0.153 0.000 0.989 109 E CA 0.506 56.825 56.400 -0.134 0.000 0.824 109 E CB -0.039 29.617 29.700 -0.073 0.000 0.756 109 E HN 0.240 nan 8.360 nan 0.000 0.477 110 R N 1.462 121.853 120.500 -0.182 0.000 2.066 110 R HA -0.099 4.093 4.340 -0.247 0.000 0.232 110 R C 1.511 177.684 176.300 -0.211 0.000 1.131 110 R CA 1.702 57.708 56.100 -0.157 0.000 0.955 110 R CB -0.172 30.060 30.300 -0.113 0.000 0.851 110 R HN 0.243 nan 8.270 nan 0.000 0.432 111 N N -0.715 117.763 118.700 -0.369 0.000 2.268 111 N HA 0.124 4.716 4.740 -0.247 0.000 0.204 111 N C -0.572 174.770 175.510 -0.279 0.000 1.124 111 N CA -0.270 52.575 53.050 -0.342 0.000 0.838 111 N CB 0.775 38.963 38.487 -0.498 0.000 0.994 111 N HN 0.048 nan 8.380 nan 0.000 0.489 112 A N 0.984 123.662 122.820 -0.236 0.000 2.312 112 A HA 0.533 4.704 4.320 -0.247 0.000 0.326 112 A C -0.850 176.664 177.584 -0.118 0.000 1.172 112 A CA -0.629 51.306 52.037 -0.171 0.000 0.821 112 A CB 0.782 19.686 19.000 -0.160 0.000 1.166 112 A HN 0.464 nan 8.150 nan 0.000 0.493 113 E N 1.141 121.284 120.200 -0.095 0.000 2.248 113 E HA 0.482 4.683 4.350 -0.247 0.000 0.267 113 E C -0.838 175.724 176.600 -0.063 0.000 0.877 113 E CA -0.904 55.451 56.400 -0.075 0.000 0.759 113 E CB 0.995 30.652 29.700 -0.071 0.000 1.182 113 E HN 0.684 nan 8.360 nan 0.000 0.418 114 N N 0.603 119.270 118.700 -0.055 0.000 2.487 114 N HA 0.464 5.056 4.740 -0.247 0.000 0.292 114 N C 0.493 175.976 175.510 -0.044 0.000 1.108 114 N CA -0.408 52.615 53.050 -0.045 0.000 0.956 114 N CB 1.598 40.062 38.487 -0.038 0.000 1.176 114 N HN 0.472 nan 8.380 nan 0.000 0.484 115 A N 2.038 124.837 122.820 -0.036 0.000 1.917 115 A HA -0.164 4.008 4.320 -0.247 0.000 0.219 115 A C 1.907 179.471 177.584 -0.033 0.000 1.182 115 A CA 1.233 53.251 52.037 -0.032 0.000 0.633 115 A CB -1.123 17.866 19.000 -0.018 0.000 0.819 115 A HN 0.808 nan 8.150 nan 0.000 0.448 116 I N -0.400 120.154 120.570 -0.027 0.000 2.208 116 I HA -0.238 3.784 4.170 -0.247 0.000 0.245 116 I C 2.266 178.363 176.117 -0.035 0.000 1.097 116 I CA 1.383 62.670 61.300 -0.022 0.000 1.363 116 I CB -0.339 37.652 38.000 -0.016 0.000 1.051 116 I HN 0.297 nan 8.210 nan 0.000 0.413 117 E N 0.713 120.886 120.200 -0.045 0.000 2.274 117 E HA -0.081 4.121 4.350 -0.247 0.000 0.194 117 E C 2.194 178.742 176.600 -0.087 0.000 0.996 117 E CA 1.018 57.385 56.400 -0.056 0.000 0.840 117 E CB -0.122 29.546 29.700 -0.052 0.000 0.772 117 E HN 0.478 nan 8.360 nan 0.000 0.491 118 A N 0.719 123.478 122.820 -0.102 0.000 2.066 118 A HA -0.039 4.133 4.320 -0.247 0.000 0.218 118 A C 2.241 179.663 177.584 -0.269 0.000 1.157 118 A CA 0.435 52.372 52.037 -0.166 0.000 0.670 118 A CB -0.438 18.482 19.000 -0.134 0.000 0.804 118 A HN 0.170 nan 8.150 nan 0.000 0.453 119 L N -0.628 120.500 121.223 -0.159 0.000 2.083 119 L HA -0.177 4.015 4.340 -0.247 0.000 0.209 119 L C 2.162 178.947 176.870 -0.142 0.000 1.083 119 L CA 1.437 56.207 54.840 -0.116 0.000 0.752 119 L CB -0.389 41.674 42.059 0.007 0.000 0.899 119 L HN 0.332 nan 8.230 nan 0.000 0.433 120 K N 0.168 120.501 120.400 -0.111 0.000 2.585 120 K HA -0.149 4.023 4.320 -0.247 0.000 0.194 120 K C 1.505 178.039 176.600 -0.110 0.000 1.037 120 K CA 0.718 56.961 56.287 -0.073 0.000 0.964 120 K CB -0.042 32.427 32.500 -0.052 0.000 0.787 120 K HN 0.463 nan 8.250 nan 0.000 0.488 121 E N -0.482 119.566 120.200 -0.254 0.000 2.371 121 E HA -0.100 4.102 4.350 -0.247 0.000 0.194 121 E C 0.600 177.105 176.600 -0.159 0.000 1.012 121 E CA 0.585 56.831 56.400 -0.257 0.000 0.860 121 E CB 0.151 29.619 29.700 -0.387 0.000 0.811 121 E HN 0.355 nan 8.360 nan 0.000 0.502 122 Y N 1.559 121.861 120.300 0.005 0.000 2.466 122 Y HA 0.100 4.502 4.550 -0.247 0.000 0.272 122 Y C 0.410 176.318 175.900 0.014 0.000 1.169 122 Y CA -0.267 57.839 58.100 0.009 0.000 1.285 122 Y CB -0.067 38.399 38.460 0.010 0.000 1.078 122 Y HN 0.011 nan 8.280 nan 0.000 0.523 123 E N 2.501 122.777 120.200 0.128 0.000 2.146 123 E HA 0.307 4.509 4.350 -0.247 0.000 0.282 123 E C -2.705 173.930 176.600 0.059 0.000 0.989 123 E CA -2.217 54.234 56.400 0.086 0.000 0.799 123 E CB 1.244 30.980 29.700 0.061 0.000 1.088 123 E HN -0.003 nan 8.360 nan 0.000 0.397 124 P HA -0.025 nan 4.420 nan 0.000 0.274 124 P C 0.069 177.383 177.300 0.024 0.000 1.246 124 P CA -0.183 62.939 63.100 0.037 0.000 0.795 124 P CB 1.412 33.132 31.700 0.034 0.000 1.006 125 E N 0.171 120.380 120.200 0.016 0.000 2.158 125 E HA -0.013 4.189 4.350 -0.247 0.000 0.191 125 E C 0.273 176.878 176.600 0.008 0.000 0.982 125 E CA 0.747 57.153 56.400 0.010 0.000 0.823 125 E CB 0.129 29.832 29.700 0.005 0.000 0.766 125 E HN 0.324 nan 8.360 nan 0.000 0.468 126 M N -0.415 119.188 119.600 0.006 0.000 2.727 126 M HA 0.557 4.888 4.480 -0.247 0.000 0.300 126 M C 0.066 176.364 176.300 -0.004 0.000 1.246 126 M CA -0.733 54.566 55.300 -0.001 0.000 0.835 126 M CB 1.713 34.308 32.600 -0.008 0.000 1.755 126 M HN 0.031 nan 8.290 nan 0.000 0.473 127 G N 0.769 109.561 108.800 -0.015 0.000 2.684 127 G HA2 0.708 4.520 3.960 -0.247 0.000 0.290 127 G HA3 0.708 4.520 3.960 -0.247 0.000 0.290 127 G C -1.756 173.115 174.900 -0.047 0.000 1.425 127 G CA -0.741 44.345 45.100 -0.023 0.000 0.822 127 G HN 0.539 nan 8.290 nan 0.000 0.482 128 K N 0.159 120.520 120.400 -0.065 0.000 2.358 128 K HA 0.643 4.815 4.320 -0.247 0.000 0.260 128 K C -0.355 176.153 176.600 -0.153 0.000 0.956 128 K CA -0.755 55.461 56.287 -0.118 0.000 0.834 128 K CB 2.396 34.823 32.500 -0.122 0.000 1.102 128 K HN 0.598 nan 8.250 nan 0.000 0.431 129 V N -0.506 119.285 119.914 -0.205 0.000 3.158 129 V HA 0.585 4.557 4.120 -0.247 0.000 0.311 129 V C -1.509 174.377 176.094 -0.345 0.000 1.181 129 V CA -0.966 61.221 62.300 -0.188 0.000 1.054 129 V CB 1.387 33.163 31.823 -0.079 0.000 1.085 129 V HN 0.622 nan 8.190 nan 0.000 0.446 130 Y N 0.695 120.982 120.300 -0.022 0.000 2.376 130 Y HA 0.744 5.146 4.550 -0.247 0.000 0.326 130 Y C 0.364 176.249 175.900 -0.024 0.000 0.970 130 Y CA -0.464 57.625 58.100 -0.019 0.000 1.248 130 Y CB 1.699 40.148 38.460 -0.017 0.000 1.117 130 Y HN 0.555 nan 8.280 nan 0.000 0.476 131 R N 1.142 121.694 120.500 0.087 0.000 2.637 131 R HA 0.614 4.806 4.340 -0.247 0.000 0.291 131 R C 0.887 177.215 176.300 0.046 0.000 0.963 131 R CA -0.431 55.695 56.100 0.043 0.000 0.901 131 R CB 1.769 32.071 30.300 0.003 0.000 1.160 131 R HN 0.811 nan 8.270 nan 0.000 0.457 132 A N 2.088 124.925 122.820 0.028 0.000 2.023 132 A HA -0.263 3.909 4.320 -0.247 0.000 0.223 132 A C 1.378 178.974 177.584 0.020 0.000 1.180 132 A CA 2.262 54.312 52.037 0.022 0.000 0.659 132 A CB -0.598 18.405 19.000 0.006 0.000 0.817 132 A HN 0.905 nan 8.150 nan 0.000 0.466 133 D N -1.068 119.340 120.400 0.013 0.000 2.368 133 D HA 0.014 4.505 4.640 -0.247 0.000 0.250 133 D C 0.552 176.861 176.300 0.015 0.000 1.142 133 D CA 0.431 54.437 54.000 0.010 0.000 0.925 133 D CB -0.311 40.490 40.800 0.002 0.000 0.896 133 D HN 0.521 nan 8.370 nan 0.000 0.525 134 R N -1.676 118.842 120.500 0.029 0.000 2.739 134 R HA 0.101 4.293 4.340 -0.247 0.000 0.266 134 R C 0.118 176.459 176.300 0.069 0.000 1.044 134 R CA -0.663 55.460 56.100 0.037 0.000 0.885 134 R CB 0.985 31.300 30.300 0.026 0.000 1.260 134 R HN -0.116 nan 8.270 nan 0.000 0.477 135 K N 0.880 121.319 120.400 0.066 0.000 2.029 135 K HA 0.114 4.286 4.320 -0.247 0.000 0.205 135 K C 0.446 177.138 176.600 0.153 0.000 1.042 135 K CA 1.584 57.921 56.287 0.084 0.000 0.949 135 K CB -0.083 32.447 32.500 0.050 0.000 0.740 135 K HN 0.537 nan 8.250 nan 0.000 0.442 136 S N 0.223 115.993 115.700 0.117 0.000 2.608 136 S HA 0.183 4.504 4.470 -0.247 0.000 0.261 136 S C 0.180 174.822 174.600 0.071 0.000 1.314 136 S CA -0.790 57.489 58.200 0.131 0.000 0.992 136 S CB 1.189 64.422 63.200 0.056 0.000 0.935 136 S HN 0.094 nan 8.310 nan 0.000 0.564 137 V N 2.196 122.068 119.914 -0.070 0.000 2.614 137 V HA 0.285 4.257 4.120 -0.247 0.000 0.291 137 V C -0.118 175.834 176.094 -0.237 0.000 1.049 137 V CA -0.290 61.732 62.300 -0.463 0.000 1.038 137 V CB 0.730 32.189 31.823 -0.607 0.000 0.980 137 V HN 0.967 nan 8.190 nan 0.000 0.481 138 Q N 6.387 126.046 119.800 -0.236 0.000 2.331 138 Q HA 0.569 4.761 4.340 -0.247 0.000 0.267 138 Q C -0.683 175.240 176.000 -0.128 0.000 1.006 138 Q CA -0.938 54.787 55.803 -0.130 0.000 0.818 138 Q CB 1.718 30.406 28.738 -0.082 0.000 1.276 138 Q HN 0.853 nan 8.270 nan 0.000 0.450 139 R N 2.759 123.204 120.500 -0.091 0.000 2.308 139 R HA 0.682 4.873 4.340 -0.247 0.000 0.305 139 R C -0.194 176.078 176.300 -0.048 0.000 1.053 139 R CA -0.429 55.628 56.100 -0.073 0.000 0.957 139 R CB 0.624 30.890 30.300 -0.056 0.000 1.022 139 R HN 0.804 nan 8.270 nan 0.000 0.461 140 I N -2.330 118.217 120.570 -0.039 0.000 3.322 140 I HA 0.524 4.546 4.170 -0.247 0.000 0.313 140 I C -0.803 175.309 176.117 -0.008 0.000 1.129 140 I CA -1.828 59.461 61.300 -0.020 0.000 0.963 140 I CB 2.010 40.002 38.000 -0.015 0.000 1.273 140 I HN 0.474 nan 8.210 nan 0.000 0.473 141 K N 1.399 121.802 120.400 0.005 0.000 2.401 141 K HA 0.282 4.453 4.320 -0.247 0.000 0.278 141 K C 0.982 177.595 176.600 0.021 0.000 1.018 141 K CA 0.415 56.709 56.287 0.012 0.000 0.981 141 K CB 1.345 33.855 32.500 0.016 0.000 0.933 141 K HN 0.737 nan 8.250 nan 0.000 0.477 142 A N 3.672 126.504 122.820 0.019 0.000 1.940 142 A HA -0.230 3.942 4.320 -0.247 0.000 0.219 142 A C 2.072 179.683 177.584 0.046 0.000 1.176 142 A CA 1.778 53.831 52.037 0.025 0.000 0.631 142 A CB -0.451 18.564 19.000 0.025 0.000 0.814 142 A HN 0.912 nan 8.150 nan 0.000 0.446 143 R N -0.329 120.205 120.500 0.057 0.000 2.200 143 R HA -0.150 4.041 4.340 -0.247 0.000 0.234 143 R C 0.171 176.575 176.300 0.174 0.000 1.127 143 R CA 1.761 57.919 56.100 0.097 0.000 0.989 143 R CB -0.288 30.047 30.300 0.057 0.000 0.869 143 R HN 0.385 nan 8.270 nan 0.000 0.459 144 D N 0.258 120.735 120.400 0.128 0.000 2.340 144 D HA 0.128 4.620 4.640 -0.247 0.000 0.217 144 D C 0.414 176.749 176.300 0.059 0.000 1.081 144 D CA 0.122 54.200 54.000 0.131 0.000 0.842 144 D CB 0.294 41.154 40.800 0.100 0.000 0.934 144 D HN 0.283 nan 8.370 nan 0.000 0.511 145 I N 1.045 121.642 120.570 0.045 0.000 2.764 145 I HA 0.138 4.160 4.170 -0.247 0.000 0.294 145 I C 0.465 176.589 176.117 0.012 0.000 1.045 145 I CA -0.533 60.775 61.300 0.013 0.000 1.340 145 I CB 1.422 39.422 38.000 0.000 0.000 1.436 145 I HN -0.232 nan 8.210 nan 0.000 0.567 146 V N 2.211 122.120 119.914 -0.007 0.000 3.181 146 V HA 0.585 4.556 4.120 -0.247 0.000 0.308 146 V C -2.892 173.143 176.094 -0.097 0.000 1.214 146 V CA -2.512 59.790 62.300 0.003 0.000 1.053 146 V CB 1.490 33.378 31.823 0.108 0.000 1.069 146 V HN 0.437 nan 8.190 nan 0.000 0.441 147 P HA 0.430 nan 4.420 nan 0.000 0.268 147 P C 0.953 177.864 177.300 -0.649 0.000 1.205 147 P CA 2.038 64.828 63.100 -0.516 0.000 0.771 147 P CB 0.952 32.219 31.700 -0.721 0.000 0.858 148 G N 2.061 110.158 108.800 -1.171 0.000 2.358 148 G HA2 -0.204 3.608 3.960 -0.247 0.000 0.224 148 G HA3 -0.204 3.608 3.960 -0.247 0.000 0.224 148 G C -0.143 174.592 174.900 -0.274 0.000 1.073 148 G CA 0.233 44.823 45.100 -0.851 0.000 0.635 148 G HN 0.711 nan 8.290 nan 0.000 0.509 149 D N 1.505 121.804 120.400 -0.168 0.000 2.345 149 D HA 0.497 4.989 4.640 -0.247 0.000 0.247 149 D C 0.336 176.602 176.300 -0.057 0.000 1.108 149 D CA -0.851 53.100 54.000 -0.081 0.000 0.894 149 D CB 0.749 41.519 40.800 -0.049 0.000 1.203 149 D HN 0.177 nan 8.370 nan 0.000 0.430 150 I N 1.707 122.279 120.570 0.003 0.000 2.598 150 I HA 0.117 4.138 4.170 -0.247 0.000 0.284 150 I C 0.393 176.556 176.117 0.076 0.000 1.140 150 I CA -0.244 61.088 61.300 0.052 0.000 1.420 150 I CB 0.637 38.701 38.000 0.108 0.000 1.387 150 I HN 0.409 nan 8.210 nan 0.000 0.553 151 V N 3.399 123.343 119.914 0.050 0.000 2.960 151 V HA 0.713 4.684 4.120 -0.247 0.000 0.315 151 V C -0.528 175.603 176.094 0.061 0.000 1.087 151 V CA -0.780 61.535 62.300 0.025 0.000 0.982 151 V CB 1.953 33.768 31.823 -0.015 0.000 1.039 151 V HN 0.758 nan 8.190 nan 0.000 0.437 152 E N 1.160 121.377 120.200 0.028 0.000 2.238 152 E HA 0.744 4.946 4.350 -0.247 0.000 0.267 152 E C -1.498 175.107 176.600 0.009 0.000 0.887 152 E CA -0.795 55.636 56.400 0.053 0.000 0.769 152 E CB 2.382 32.131 29.700 0.081 0.000 1.187 152 E HN 1.101 nan 8.360 nan 0.000 0.416 153 V N -0.248 119.674 119.914 0.014 0.000 2.971 153 V HA 1.003 4.974 4.120 -0.247 0.000 0.309 153 V C -0.958 175.140 176.094 0.006 0.000 1.130 153 V CA -0.657 61.644 62.300 0.002 0.000 0.964 153 V CB 1.251 33.070 31.823 -0.006 0.000 1.029 153 V HN 0.779 nan 8.190 nan 0.000 0.427 154 A N 2.262 125.084 122.820 0.003 0.000 2.566 154 A HA 0.868 5.040 4.320 -0.247 0.000 0.292 154 A C -0.260 177.326 177.584 0.003 0.000 1.112 154 A CA -0.413 51.627 52.037 0.005 0.000 0.707 154 A CB 1.794 20.799 19.000 0.008 0.000 1.302 154 A HN 2.237 nan 8.150 nan 0.000 0.409 155 V N 1.240 121.156 119.914 0.004 0.000 2.742 155 V HA 0.314 4.285 4.120 -0.247 0.000 0.302 155 V C 1.414 177.511 176.094 0.005 0.000 1.133 155 V CA 2.783 65.086 62.300 0.004 0.000 1.284 155 V CB 0.179 32.006 31.823 0.006 0.000 0.850 155 V HN 2.724 nan 8.190 nan 0.000 0.494 156 G N 4.208 113.012 108.800 0.006 0.000 2.234 156 G HA2 -0.193 3.619 3.960 -0.247 0.000 0.235 156 G HA3 -0.193 3.619 3.960 -0.247 0.000 0.235 156 G C -0.016 174.889 174.900 0.008 0.000 0.997 156 G CA 0.185 45.289 45.100 0.008 0.000 0.623 156 G HN 0.806 nan 8.290 nan 0.000 0.514 157 D N 0.904 121.307 120.400 0.006 0.000 2.345 157 D HA 0.419 4.911 4.640 -0.247 0.000 0.247 157 D C 0.503 176.810 176.300 0.011 0.000 1.108 157 D CA 0.158 54.162 54.000 0.007 0.000 0.894 157 D CB 1.297 42.098 40.800 0.002 0.000 1.203 157 D HN 0.462 nan 8.370 nan 0.000 0.430 158 K N 1.836 122.246 120.400 0.018 0.000 2.262 158 K HA 0.253 4.425 4.320 -0.247 0.000 0.282 158 K C -0.743 175.871 176.600 0.024 0.000 1.066 158 K CA -0.696 55.608 56.287 0.027 0.000 0.901 158 K CB 0.648 33.174 32.500 0.043 0.000 1.089 158 K HN 0.102 nan 8.250 nan 0.000 0.476 159 V N 7.775 127.702 119.914 0.022 0.000 2.539 159 V HA -0.018 3.954 4.120 -0.247 0.000 0.300 159 V C -1.212 174.899 176.094 0.029 0.000 1.019 159 V CA -0.765 61.546 62.300 0.017 0.000 1.160 159 V CB 0.733 32.566 31.823 0.016 0.000 0.901 159 V HN 0.906 nan 8.190 nan 0.000 0.481 160 P HA 0.188 nan 4.420 nan 0.000 0.235 160 P C 0.189 177.503 177.300 0.025 0.000 1.177 160 P CA 1.047 64.161 63.100 0.022 0.000 0.785 160 P CB 0.723 32.428 31.700 0.009 0.000 0.885 161 A N -0.705 122.125 122.820 0.016 0.000 2.564 161 A HA 0.481 4.653 4.320 -0.247 0.000 0.291 161 A C -1.705 175.884 177.584 0.009 0.000 1.102 161 A CA -0.586 51.460 52.037 0.015 0.000 0.660 161 A CB 0.062 19.056 19.000 -0.010 0.000 1.283 161 A HN -0.228 nan 8.150 nan 0.000 0.430 162 D N 0.954 121.364 120.400 0.016 0.000 2.336 162 D HA 0.537 5.029 4.640 -0.247 0.000 0.249 162 D C -0.585 175.683 176.300 -0.053 0.000 1.213 162 D CA 0.875 54.877 54.000 0.003 0.000 0.870 162 D CB 0.237 41.079 40.800 0.070 0.000 1.076 162 D HN 0.394 nan 8.370 nan 0.000 0.483 163 I N 2.038 122.548 120.570 -0.100 0.000 2.530 163 I HA 0.302 4.323 4.170 -0.247 0.000 0.297 163 I C 0.347 176.400 176.117 -0.108 0.000 1.011 163 I CA -1.049 60.196 61.300 -0.093 0.000 1.107 163 I CB 1.730 39.683 38.000 -0.078 0.000 1.285 163 I HN -0.053 nan 8.210 nan 0.000 0.436 164 R N 6.320 126.781 120.500 -0.065 0.000 2.202 164 R HA 0.453 4.644 4.340 -0.247 0.000 0.334 164 R C -0.727 175.549 176.300 -0.040 0.000 1.036 164 R CA -0.693 55.380 56.100 -0.046 0.000 0.878 164 R CB 0.393 30.689 30.300 -0.006 0.000 1.067 164 R HN 0.580 nan 8.270 nan 0.000 0.457 165 I N 6.569 127.110 120.570 -0.048 0.000 2.587 165 I HA -0.131 3.891 4.170 -0.247 0.000 0.284 165 I C 1.619 177.729 176.117 -0.012 0.000 1.134 165 I CA 0.155 61.434 61.300 -0.034 0.000 1.410 165 I CB 0.672 38.647 38.000 -0.041 0.000 1.392 165 I HN 0.491 nan 8.210 nan 0.000 0.545 166 L N 4.894 126.113 121.223 -0.006 0.000 2.145 166 L HA 0.069 4.261 4.340 -0.247 0.000 0.201 166 L C 0.785 177.655 176.870 0.001 0.000 1.075 166 L CA 0.677 55.518 54.840 0.001 0.000 0.773 166 L CB -0.153 41.907 42.059 0.002 0.000 0.936 166 L HN 0.801 nan 8.230 nan 0.000 0.451 167 S N -1.021 114.679 115.700 -0.001 0.000 2.542 167 S HA 0.450 4.771 4.470 -0.247 0.000 0.276 167 S C -0.966 173.635 174.600 0.001 0.000 1.148 167 S CA -0.792 57.409 58.200 0.001 0.000 0.886 167 S CB 1.280 64.477 63.200 -0.005 0.000 1.109 167 S HN 0.074 nan 8.310 nan 0.000 0.458 168 I N 3.898 124.471 120.570 0.004 0.000 2.291 168 I HA 0.309 4.330 4.170 -0.247 0.000 0.290 168 I C 1.050 177.169 176.117 0.004 0.000 1.050 168 I CA -0.810 60.491 61.300 0.001 0.000 1.245 168 I CB 1.047 39.045 38.000 -0.002 0.000 1.405 168 I HN 0.631 nan 8.210 nan 0.000 0.478 169 K N 3.135 123.537 120.400 0.004 0.000 2.148 169 K HA -0.033 4.138 4.320 -0.247 0.000 0.204 169 K C 1.046 177.650 176.600 0.006 0.000 1.050 169 K CA 0.633 56.923 56.287 0.005 0.000 0.942 169 K CB -0.322 32.185 32.500 0.011 0.000 0.724 169 K HN 0.692 nan 8.250 nan 0.000 0.446 170 S N -0.289 115.415 115.700 0.006 0.000 2.681 170 S HA 0.159 4.481 4.470 -0.247 0.000 0.270 170 S C 1.274 175.879 174.600 0.008 0.000 1.209 170 S CA -0.480 57.724 58.200 0.007 0.000 0.988 170 S CB 1.101 64.305 63.200 0.006 0.000 1.006 170 S HN 0.094 nan 8.310 nan 0.000 0.558 171 T N 1.343 115.903 114.554 0.010 0.000 2.803 171 T HA 0.060 4.261 4.350 -0.247 0.000 0.269 171 T C 0.939 175.650 174.700 0.019 0.000 1.052 171 T CA 1.651 63.759 62.100 0.013 0.000 1.136 171 T CB -0.667 68.211 68.868 0.016 0.000 0.864 171 T HN 1.023 nan 8.240 nan 0.000 0.467 172 T N -1.228 113.333 114.554 0.013 0.000 2.792 172 T HA 0.633 4.835 4.350 -0.247 0.000 0.303 172 T C -1.904 172.787 174.700 -0.014 0.000 1.310 172 T CA -1.064 61.039 62.100 0.004 0.000 1.007 172 T CB 1.853 70.733 68.868 0.021 0.000 1.335 172 T HN -0.019 nan 8.240 nan 0.000 0.504 173 L N 0.797 121.993 121.223 -0.044 0.000 2.376 173 L HA 0.689 4.881 4.340 -0.247 0.000 0.275 173 L C -0.786 176.057 176.870 -0.045 0.000 0.987 173 L CA -0.550 54.264 54.840 -0.044 0.000 0.828 173 L CB 1.511 43.534 42.059 -0.059 0.000 1.249 173 L HN 0.695 nan 8.230 nan 0.000 0.409 174 R N 4.467 124.955 120.500 -0.020 0.000 2.437 174 R HA 0.729 4.920 4.340 -0.247 0.000 0.310 174 R C -1.441 174.856 176.300 -0.005 0.000 0.955 174 R CA -0.796 55.299 56.100 -0.008 0.000 0.851 174 R CB 2.196 32.499 30.300 0.005 0.000 1.161 174 R HN 0.430 nan 8.270 nan 0.000 0.446 175 V N 2.043 121.957 119.914 -0.000 0.000 2.555 175 V HA 0.137 4.108 4.120 -0.247 0.000 0.302 175 V C -0.370 175.733 176.094 0.017 0.000 1.038 175 V CA -0.810 61.494 62.300 0.007 0.000 0.887 175 V CB 2.201 34.028 31.823 0.006 0.000 0.991 175 V HN 0.596 nan 8.190 nan 0.000 0.434 176 D N 3.204 123.611 120.400 0.012 0.000 2.456 176 D HA 0.235 4.726 4.640 -0.247 0.000 0.219 176 D C 0.273 176.574 176.300 0.003 0.000 1.126 176 D CA -0.094 53.909 54.000 0.005 0.000 0.890 176 D CB 1.138 41.936 40.800 -0.003 0.000 1.025 176 D HN 0.543 nan 8.370 nan 0.000 0.511 177 Q N 2.087 121.896 119.800 0.014 0.000 2.296 177 Q HA 0.071 4.262 4.340 -0.247 0.000 0.273 177 Q C 1.359 177.331 176.000 -0.046 0.000 0.900 177 Q CA -0.230 55.579 55.803 0.010 0.000 0.993 177 Q CB 0.485 29.265 28.738 0.070 0.000 1.132 177 Q HN 0.386 nan 8.270 nan 0.000 0.439 178 S N 1.110 116.776 115.700 -0.057 0.000 2.370 178 S HA -0.174 4.148 4.470 -0.247 0.000 0.226 178 S C 1.841 176.370 174.600 -0.119 0.000 1.033 178 S CA 1.453 59.611 58.200 -0.071 0.000 1.011 178 S CB -0.129 63.039 63.200 -0.054 0.000 0.852 178 S HN 0.702 nan 8.310 nan 0.000 0.457 179 I N -0.658 119.787 120.570 -0.208 0.000 2.530 179 I HA -0.123 3.898 4.170 -0.247 0.000 0.257 179 I C 1.869 177.845 176.117 -0.234 0.000 1.179 179 I CA 1.356 62.448 61.300 -0.346 0.000 1.440 179 I CB -0.493 37.041 38.000 -0.777 0.000 1.087 179 I HN 0.265 nan 8.210 nan 0.000 0.440 180 L N 0.848 121.964 121.223 -0.179 0.000 2.127 180 L HA -0.011 4.181 4.340 -0.247 0.000 0.203 180 L C 2.687 179.492 176.870 -0.108 0.000 1.080 180 L CA 1.606 56.353 54.840 -0.155 0.000 0.768 180 L CB -0.892 41.048 42.059 -0.198 0.000 0.924 180 L HN 0.491 nan 8.230 nan 0.000 0.444 181 T N -4.007 110.494 114.554 -0.089 0.000 3.480 181 T HA 0.428 4.629 4.350 -0.247 0.000 0.229 181 T C 1.363 176.038 174.700 -0.042 0.000 0.944 181 T CA 0.686 62.751 62.100 -0.059 0.000 1.388 181 T CB 0.616 69.455 68.868 -0.048 0.000 1.180 181 T HN 0.289 nan 8.240 nan 0.000 0.414 182 G N 1.509 110.286 108.800 -0.038 0.000 3.465 182 G HA2 -0.031 3.781 3.960 -0.247 0.000 0.219 182 G HA3 -0.031 3.781 3.960 -0.247 0.000 0.219 182 G C -0.265 174.624 174.900 -0.019 0.000 0.984 182 G CA -0.014 45.072 45.100 -0.025 0.000 0.864 182 G HN 0.825 nan 8.290 nan 0.000 0.485 183 E N 1.504 121.692 120.200 -0.020 0.000 1.985 183 E HA 0.513 4.715 4.350 -0.247 0.000 0.268 183 E C 0.987 177.577 176.600 -0.016 0.000 1.219 183 E CA 0.392 56.782 56.400 -0.016 0.000 0.942 183 E CB 1.534 31.223 29.700 -0.018 0.000 1.045 183 E HN 0.105 nan 8.360 nan 0.000 0.413 184 S N 3.161 118.853 115.700 -0.013 0.000 2.584 184 S HA -0.078 4.243 4.470 -0.247 0.000 0.240 184 S C 0.685 175.281 174.600 -0.007 0.000 0.975 184 S CA -0.085 58.108 58.200 -0.012 0.000 0.949 184 S CB -0.349 62.846 63.200 -0.009 0.000 0.761 184 S HN 0.474 nan 8.310 nan 0.000 0.536 185 V N 4.003 123.912 119.914 -0.008 0.000 2.500 185 V HA 0.035 4.006 4.120 -0.247 0.000 0.267 185 V C 0.934 177.032 176.094 0.006 0.000 0.977 185 V CA 0.091 62.388 62.300 -0.005 0.000 1.151 185 V CB -1.554 30.262 31.823 -0.013 0.000 1.013 185 V HN 0.609 nan 8.190 nan 0.000 0.467 186 S N 4.897 120.603 115.700 0.010 0.000 2.558 186 S HA 0.305 4.627 4.470 -0.247 0.000 0.287 186 S C -0.116 174.502 174.600 0.030 0.000 1.321 186 S CA -0.173 58.037 58.200 0.017 0.000 1.048 186 S CB 1.196 64.405 63.200 0.014 0.000 0.844 186 S HN 1.432 nan 8.310 nan 0.000 0.512 187 V N 0.540 120.475 119.914 0.036 0.000 2.715 187 V HA 0.726 4.698 4.120 -0.247 0.000 0.310 187 V C -0.435 175.677 176.094 0.031 0.000 1.054 187 V CA -1.370 60.961 62.300 0.052 0.000 0.928 187 V CB 0.939 32.804 31.823 0.070 0.000 1.007 187 V HN 0.809 nan 8.190 nan 0.000 0.437 188 I N 3.848 124.440 120.570 0.037 0.000 2.474 188 I HA 0.479 4.500 4.170 -0.247 0.000 0.287 188 I C 0.576 176.622 176.117 -0.118 0.000 1.048 188 I CA 0.113 61.393 61.300 -0.034 0.000 1.383 188 I CB 0.412 38.416 38.000 0.006 0.000 1.412 188 I HN 0.550 nan 8.210 nan 0.000 0.531 189 K N 4.977 125.245 120.400 -0.220 0.000 2.166 189 K HA 0.591 4.763 4.320 -0.247 0.000 0.245 189 K C -0.493 175.815 176.600 -0.487 0.000 0.967 189 K CA -0.747 55.403 56.287 -0.229 0.000 0.863 189 K CB 1.647 34.071 32.500 -0.127 0.000 1.107 189 K HN 0.541 nan 8.250 nan 0.000 0.436 190 H N -0.821 118.250 119.070 0.001 0.000 2.960 190 H HA 0.271 4.679 4.556 -0.247 0.000 0.303 190 H C 0.510 175.828 175.328 -0.017 0.000 1.412 190 H CA -0.261 55.784 56.048 -0.006 0.000 1.227 190 H CB 1.802 31.550 29.762 -0.023 0.000 1.912 190 H HN 0.669 nan 8.280 nan 0.000 0.583 191 T N -3.462 111.172 114.554 0.132 0.000 2.975 191 T HA 0.085 4.287 4.350 -0.247 0.000 0.257 191 T C 0.564 175.286 174.700 0.035 0.000 1.003 191 T CA -0.277 61.856 62.100 0.055 0.000 0.932 191 T CB 0.656 69.547 68.868 0.037 0.000 1.087 191 T HN 0.497 nan 8.240 nan 0.000 0.512 192 E N 3.790 124.009 120.200 0.032 0.000 2.413 192 E HA 0.188 4.390 4.350 -0.247 0.000 0.263 192 E C -2.186 174.412 176.600 -0.003 0.000 1.015 192 E CA -1.932 54.462 56.400 -0.009 0.000 0.916 192 E CB 0.647 30.311 29.700 -0.060 0.000 0.947 192 E HN 0.200 nan 8.360 nan 0.000 0.440 193 P HA -0.008 nan 4.420 nan 0.000 0.271 193 P C -0.817 176.488 177.300 0.007 0.000 1.218 193 P CA -0.171 62.927 63.100 -0.004 0.000 0.780 193 P CB 0.836 32.524 31.700 -0.021 0.000 0.901 194 V N 5.447 125.392 119.914 0.051 0.000 2.304 194 V HA 0.119 4.091 4.120 -0.247 0.000 0.269 194 V C -0.777 175.374 176.094 0.096 0.000 1.036 194 V CA -1.498 60.856 62.300 0.090 0.000 0.840 194 V CB 0.651 32.575 31.823 0.169 0.000 1.036 194 V HN 0.555 nan 8.190 nan 0.000 0.466 195 P HA -0.206 nan 4.420 nan 0.000 0.217 195 P C 0.495 177.819 177.300 0.040 0.000 1.158 195 P CA 1.200 64.311 63.100 0.018 0.000 0.887 195 P CB 0.295 31.996 31.700 0.002 0.000 0.792 196 D N 0.272 120.717 120.400 0.075 0.000 2.382 196 D HA 0.045 4.536 4.640 -0.247 0.000 0.259 196 D C -1.634 174.778 176.300 0.186 0.000 1.224 196 D CA -2.051 52.004 54.000 0.091 0.000 0.894 196 D CB 0.646 41.489 40.800 0.072 0.000 1.127 196 D HN 0.032 nan 8.370 nan 0.000 0.487 197 P HA -0.023 nan 4.420 nan 0.000 0.226 197 P C 0.810 178.255 177.300 0.241 0.000 1.153 197 P CA 0.626 63.816 63.100 0.150 0.000 0.777 197 P CB 0.263 31.983 31.700 0.033 0.000 0.794 198 R N -0.485 120.106 120.500 0.151 0.000 2.552 198 R HA 0.383 4.575 4.340 -0.247 0.000 0.314 198 R C -0.046 176.272 176.300 0.030 0.000 1.041 198 R CA -0.376 55.775 56.100 0.086 0.000 1.076 198 R CB 0.046 30.377 30.300 0.052 0.000 1.290 198 R HN 0.026 nan 8.270 nan 0.000 0.563 199 A N 1.069 123.895 122.820 0.009 0.000 2.540 199 A HA 0.149 4.320 4.320 -0.247 0.000 0.239 199 A C 0.650 178.157 177.584 -0.129 0.000 1.061 199 A CA -0.126 51.861 52.037 -0.083 0.000 0.758 199 A CB 0.175 19.085 19.000 -0.151 0.000 0.991 199 A HN 0.241 nan 8.150 nan 0.000 0.502 200 V N 1.532 121.401 119.914 -0.076 0.000 3.003 200 V HA 0.194 4.166 4.120 -0.247 0.000 0.305 200 V C 1.163 177.212 176.094 -0.074 0.000 1.078 200 V CA -0.409 61.844 62.300 -0.079 0.000 1.083 200 V CB 0.419 32.205 31.823 -0.062 0.000 1.039 200 V HN 0.861 nan 8.190 nan 0.000 0.481 201 N N 1.482 120.127 118.700 -0.091 0.000 2.096 201 N HA -0.282 4.309 4.740 -0.247 0.000 0.195 201 N C 1.647 177.196 175.510 0.065 0.000 1.017 201 N CA 2.290 55.312 53.050 -0.047 0.000 0.870 201 N CB -0.561 37.681 38.487 -0.409 0.000 1.024 201 N HN 0.943 nan 8.380 nan 0.000 0.434 202 Q N 0.216 120.018 119.800 0.002 0.000 2.248 202 Q HA -0.143 4.048 4.340 -0.247 0.000 0.208 202 Q C 0.080 176.131 176.000 0.085 0.000 0.984 202 Q CA 1.436 57.269 55.803 0.051 0.000 0.875 202 Q CB 0.117 28.872 28.738 0.030 0.000 0.910 202 Q HN 0.341 nan 8.270 nan 0.000 0.433 203 D N -0.618 119.816 120.400 0.057 0.000 2.349 203 D HA 0.039 4.530 4.640 -0.247 0.000 0.214 203 D C -0.330 175.996 176.300 0.042 0.000 1.063 203 D CA 0.288 54.318 54.000 0.051 0.000 0.847 203 D CB 0.332 41.147 40.800 0.025 0.000 0.933 203 D HN 0.107 nan 8.370 nan 0.000 0.513 204 K N 1.745 122.183 120.400 0.064 0.000 2.502 204 K HA 0.069 4.241 4.320 -0.247 0.000 0.244 204 K C 1.204 177.831 176.600 0.046 0.000 1.249 204 K CA -0.111 56.202 56.287 0.043 0.000 1.193 204 K CB 0.204 32.751 32.500 0.079 0.000 1.674 204 K HN 0.143 nan 8.250 nan 0.000 0.302 205 K N 0.099 120.534 120.400 0.058 0.000 2.574 205 K HA -0.101 4.070 4.320 -0.247 0.000 0.193 205 K C 0.468 177.082 176.600 0.023 0.000 1.035 205 K CA 1.012 57.333 56.287 0.057 0.000 0.982 205 K CB -0.081 32.485 32.500 0.109 0.000 0.795 205 K HN 0.217 nan 8.250 nan 0.000 0.491 206 N N 0.179 118.883 118.700 0.006 0.000 2.200 206 N HA 0.098 4.689 4.740 -0.247 0.000 0.224 206 N C -0.470 174.992 175.510 -0.080 0.000 1.179 206 N CA -0.278 52.765 53.050 -0.012 0.000 0.877 206 N CB 0.361 38.863 38.487 0.025 0.000 1.072 206 N HN 0.005 nan 8.380 nan 0.000 0.519 207 M N 0.726 120.220 119.600 -0.177 0.000 2.598 207 M HA 0.477 4.809 4.480 -0.247 0.000 0.317 207 M C -0.770 175.191 176.300 -0.564 0.000 1.179 207 M CA -0.587 54.494 55.300 -0.366 0.000 0.936 207 M CB 2.186 34.491 32.600 -0.492 0.000 1.713 207 M HN -0.056 nan 8.290 nan 0.000 0.460 208 L N 2.065 122.974 121.223 -0.523 0.000 2.341 208 L HA 0.576 4.767 4.340 -0.247 0.000 0.278 208 L C -1.282 175.290 176.870 -0.496 0.000 1.005 208 L CA -0.512 54.075 54.840 -0.421 0.000 0.818 208 L CB 1.440 43.387 42.059 -0.187 0.000 1.259 208 L HN 0.458 nan 8.230 nan 0.000 0.418 209 F N 0.684 120.625 119.950 -0.016 0.000 2.427 209 F HA 0.276 4.655 4.527 -0.247 0.000 0.346 209 F C 0.902 176.691 175.800 -0.017 0.000 1.120 209 F CA -0.593 57.396 58.000 -0.018 0.000 1.033 209 F CB 1.820 40.803 39.000 -0.029 0.000 1.126 209 F HN 0.357 nan 8.300 nan 0.000 0.462 210 S N 2.180 117.981 115.700 0.168 0.000 2.575 210 S HA 0.364 4.686 4.470 -0.247 0.000 0.295 210 S C 1.077 175.738 174.600 0.102 0.000 1.267 210 S CA 1.002 59.264 58.200 0.103 0.000 1.074 210 S CB -0.227 63.027 63.200 0.089 0.000 0.829 210 S HN 1.266 nan 8.310 nan 0.000 0.497 211 G N 3.457 112.305 108.800 0.080 0.000 2.218 211 G HA2 -0.197 3.615 3.960 -0.247 0.000 0.216 211 G HA3 -0.197 3.615 3.960 -0.247 0.000 0.216 211 G C 0.289 175.178 174.900 -0.018 0.000 0.994 211 G CA 0.144 45.282 45.100 0.063 0.000 0.637 211 G HN 0.883 nan 8.290 nan 0.000 0.505 212 T N 1.832 116.396 114.554 0.017 0.000 2.881 212 T HA 0.575 4.777 4.350 -0.247 0.000 0.278 212 T C 0.060 174.766 174.700 0.009 0.000 0.982 212 T CA -0.303 61.800 62.100 0.005 0.000 0.989 212 T CB 0.967 69.879 68.868 0.072 0.000 1.058 212 T HN 0.307 nan 8.240 nan 0.000 0.529 213 N N 1.006 119.707 118.700 0.002 0.000 2.272 213 N HA 0.365 4.957 4.740 -0.247 0.000 0.305 213 N C -1.003 174.509 175.510 0.005 0.000 1.103 213 N CA -0.674 52.380 53.050 0.005 0.000 0.791 213 N CB 1.706 40.196 38.487 0.004 0.000 1.356 213 N HN 0.338 nan 8.380 nan 0.000 0.486 214 I N 1.765 122.337 120.570 0.003 0.000 2.337 214 I HA 0.108 4.130 4.170 -0.247 0.000 0.291 214 I C 1.451 177.569 176.117 0.002 0.000 1.046 214 I CA -0.021 61.279 61.300 -0.000 0.000 1.324 214 I CB 0.328 38.327 38.000 -0.002 0.000 1.409 214 I HN 0.629 nan 8.210 nan 0.000 0.494 215 A N 5.663 128.485 122.820 0.002 0.000 1.935 215 A HA 0.530 4.702 4.320 -0.247 0.000 0.214 215 A C 1.025 178.612 177.584 0.005 0.000 1.178 215 A CA 1.022 53.062 52.037 0.004 0.000 0.640 215 A CB 0.172 19.175 19.000 0.006 0.000 0.825 215 A HN 0.788 nan 8.150 nan 0.000 0.447 216 A N -2.982 119.840 122.820 0.003 0.000 2.604 216 A HA 0.659 4.830 4.320 -0.247 0.000 0.295 216 A C 0.301 177.885 177.584 0.001 0.000 1.067 216 A CA 0.123 52.162 52.037 0.004 0.000 0.683 216 A CB 0.160 19.165 19.000 0.008 0.000 1.281 216 A HN 2.165 nan 8.150 nan 0.000 0.407 217 G N 0.096 108.898 108.800 0.003 0.000 2.610 217 G HA2 0.319 4.130 3.960 -0.247 0.000 0.304 217 G HA3 0.319 4.130 3.960 -0.247 0.000 0.304 217 G C -0.550 174.351 174.900 0.003 0.000 1.309 217 G CA -0.005 45.096 45.100 0.001 0.000 0.906 217 G HN 1.422 nan 8.290 nan 0.000 0.521 218 K N -0.574 119.828 120.400 0.003 0.000 2.550 218 K HA 0.714 4.886 4.320 -0.247 0.000 0.252 218 K C -0.441 176.164 176.600 0.008 0.000 0.943 218 K CA -0.048 56.245 56.287 0.009 0.000 0.806 218 K CB 1.467 33.977 32.500 0.016 0.000 1.289 218 K HN 1.982 nan 8.250 nan 0.000 0.435 219 A N 3.101 125.927 122.820 0.010 0.000 2.566 219 A HA 0.781 4.952 4.320 -0.247 0.000 0.292 219 A C -2.113 175.485 177.584 0.024 0.000 1.112 219 A CA -0.752 51.289 52.037 0.008 0.000 0.707 219 A CB 1.636 20.630 19.000 -0.011 0.000 1.302 219 A HN 0.554 nan 8.150 nan 0.000 0.409 220 L N 0.327 121.562 121.223 0.022 0.000 2.365 220 L HA 0.886 5.078 4.340 -0.247 0.000 0.273 220 L C 0.203 177.081 176.870 0.015 0.000 1.000 220 L CA 0.537 55.401 54.840 0.039 0.000 0.819 220 L CB 1.989 44.069 42.059 0.035 0.000 1.284 220 L HN 1.243 nan 8.230 nan 0.000 0.418 221 G N 3.811 112.619 108.800 0.015 0.000 2.721 221 G HA2 0.502 4.314 3.960 -0.247 0.000 0.296 221 G HA3 0.502 4.314 3.960 -0.247 0.000 0.296 221 G C -1.996 172.899 174.900 -0.009 0.000 1.383 221 G CA -0.602 44.495 45.100 -0.005 0.000 0.788 221 G HN 0.728 nan 8.290 nan 0.000 0.500 222 I N 0.466 121.021 120.570 -0.025 0.000 2.474 222 I HA 0.545 4.567 4.170 -0.247 0.000 0.294 222 I C -0.353 175.705 176.117 -0.098 0.000 1.005 222 I CA -1.004 60.263 61.300 -0.056 0.000 1.113 222 I CB 1.902 39.887 38.000 -0.025 0.000 1.289 222 I HN 0.237 nan 8.210 nan 0.000 0.436 223 V N 8.322 128.138 119.914 -0.163 0.000 2.479 223 V HA 0.116 4.087 4.120 -0.247 0.000 0.281 223 V C 1.112 177.062 176.094 -0.239 0.000 1.031 223 V CA 0.687 62.881 62.300 -0.177 0.000 1.038 223 V CB 0.629 32.344 31.823 -0.181 0.000 0.981 223 V HN 0.979 nan 8.190 nan 0.000 0.478 224 A N 4.708 127.469 122.820 -0.099 0.000 1.911 224 A HA 0.269 4.441 4.320 -0.247 0.000 0.212 224 A C 1.096 178.676 177.584 -0.008 0.000 1.189 224 A CA 1.178 53.220 52.037 0.009 0.000 0.639 224 A CB 0.113 19.131 19.000 0.029 0.000 0.839 224 A HN 0.857 nan 8.150 nan 0.000 0.449 225 T N -3.606 110.922 114.554 -0.043 0.000 2.816 225 T HA 0.616 4.817 4.350 -0.247 0.000 0.299 225 T C -0.520 174.156 174.700 -0.039 0.000 1.230 225 T CA 0.128 62.201 62.100 -0.046 0.000 1.007 225 T CB 1.614 70.488 68.868 0.011 0.000 1.289 225 T HN 0.834 nan 8.240 nan 0.000 0.508 226 T N -2.692 111.849 114.554 -0.022 0.000 2.731 226 T HA 0.776 4.977 4.350 -0.247 0.000 0.300 226 T C 0.888 175.614 174.700 0.042 0.000 1.283 226 T CA 0.126 62.232 62.100 0.010 0.000 1.005 226 T CB 0.950 69.821 68.868 0.004 0.000 1.420 226 T HN 2.291 nan 8.240 nan 0.000 0.503 227 G N 0.279 109.113 108.800 0.057 0.000 2.596 227 G HA2 -0.285 3.527 3.960 -0.247 0.000 0.295 227 G HA3 -0.285 3.527 3.960 -0.247 0.000 0.295 227 G C 1.097 176.032 174.900 0.060 0.000 1.240 227 G CA 1.621 46.761 45.100 0.067 0.000 0.985 227 G HN 2.198 nan 8.290 nan 0.000 0.555 228 V N -2.028 117.922 119.914 0.060 0.000 3.510 228 V HA 0.331 4.302 4.120 -0.247 0.000 0.270 228 V C 2.100 178.223 176.094 0.049 0.000 1.201 228 V CA 2.498 64.828 62.300 0.050 0.000 1.166 228 V CB 0.252 32.102 31.823 0.046 0.000 0.825 228 V HN 0.785 nan 8.190 nan 0.000 0.484 229 S N 0.768 116.501 115.700 0.055 0.000 2.548 229 S HA 0.084 4.406 4.470 -0.247 0.000 0.215 229 S C 1.150 175.782 174.600 0.054 0.000 0.976 229 S CA 0.652 58.883 58.200 0.052 0.000 0.908 229 S CB -0.230 63.003 63.200 0.055 0.000 0.781 229 S HN 0.947 nan 8.310 nan 0.000 0.519 230 T N 0.125 114.714 114.554 0.058 0.000 2.816 230 T HA 0.284 4.485 4.350 -0.247 0.000 0.282 230 T C 1.051 175.793 174.700 0.069 0.000 0.993 230 T CA -0.588 61.559 62.100 0.078 0.000 0.994 230 T CB 0.677 69.596 68.868 0.085 0.000 1.025 230 T HN -0.121 nan 8.240 nan 0.000 0.529 231 E N 0.189 120.441 120.200 0.086 0.000 2.058 231 E HA -0.116 4.086 4.350 -0.247 0.000 0.194 231 E C 1.893 178.483 176.600 -0.017 0.000 0.997 231 E CA 1.096 57.498 56.400 0.002 0.000 0.801 231 E CB -0.393 29.240 29.700 -0.112 0.000 0.746 231 E HN 0.745 nan 8.360 nan 0.000 0.450 232 I N 0.533 121.110 120.570 0.010 0.000 2.394 232 I HA -0.142 3.880 4.170 -0.247 0.000 0.251 232 I C 2.126 178.264 176.117 0.036 0.000 1.136 232 I CA 1.272 62.586 61.300 0.023 0.000 1.425 232 I CB -0.128 37.909 38.000 0.060 0.000 1.079 232 I HN 0.078 nan 8.210 nan 0.000 0.425 233 G N 0.246 109.072 108.800 0.042 0.000 2.421 233 G HA2 -0.211 3.600 3.960 -0.247 0.000 0.217 233 G HA3 -0.211 3.600 3.960 -0.247 0.000 0.217 233 G C 1.658 176.575 174.900 0.028 0.000 1.143 233 G CA 0.442 45.566 45.100 0.040 0.000 0.784 233 G HN 0.319 nan 8.290 nan 0.000 0.541 234 K N -0.060 120.352 120.400 0.020 0.000 2.155 234 K HA 0.175 4.346 4.320 -0.247 0.000 0.203 234 K C 2.244 178.845 176.600 0.001 0.000 1.052 234 K CA 0.487 56.780 56.287 0.011 0.000 0.948 234 K CB -0.116 32.387 32.500 0.005 0.000 0.728 234 K HN 0.299 nan 8.250 nan 0.000 0.448 235 I N 0.926 121.494 120.570 -0.003 0.000 2.394 235 I HA -0.219 3.802 4.170 -0.247 0.000 0.251 235 I C 2.625 178.744 176.117 0.003 0.000 1.136 235 I CA 0.765 62.061 61.300 -0.006 0.000 1.425 235 I CB -0.148 37.847 38.000 -0.008 0.000 1.079 235 I HN 0.156 nan 8.210 nan 0.000 0.425 236 R N 1.265 121.773 120.500 0.013 0.000 2.092 236 R HA -0.171 4.021 4.340 -0.247 0.000 0.231 236 R C 1.440 177.745 176.300 0.008 0.000 1.119 236 R CA 1.821 57.929 56.100 0.013 0.000 0.970 236 R CB -0.414 29.899 30.300 0.021 0.000 0.864 236 R HN 0.272 nan 8.270 nan 0.000 0.440 237 D N 0.551 120.956 120.400 0.009 0.000 2.183 237 D HA -0.091 4.401 4.640 -0.247 0.000 0.203 237 D C 2.022 178.322 176.300 0.000 0.000 0.969 237 D CA 0.893 54.897 54.000 0.007 0.000 0.842 237 D CB -0.040 40.767 40.800 0.011 0.000 0.957 237 D HN 0.347 nan 8.370 nan 0.000 0.484 238 Q N -0.429 119.369 119.800 -0.004 0.000 2.079 238 Q HA -0.060 4.131 4.340 -0.247 0.000 0.200 238 Q C 2.206 178.199 176.000 -0.011 0.000 0.974 238 Q CA 1.028 56.824 55.803 -0.010 0.000 0.840 238 Q CB -0.038 28.691 28.738 -0.015 0.000 0.898 238 Q HN 0.311 nan 8.270 nan 0.000 0.430 239 M N -0.274 119.320 119.600 -0.009 0.000 2.132 239 M HA -0.112 4.220 4.480 -0.247 0.000 0.263 239 M C 2.277 178.571 176.300 -0.009 0.000 1.065 239 M CA 1.370 56.664 55.300 -0.009 0.000 1.122 239 M CB -0.192 32.404 32.600 -0.006 0.000 1.365 239 M HN 0.202 nan 8.290 nan 0.000 0.411 240 A N 0.136 122.953 122.820 -0.005 0.000 2.070 240 A HA 0.050 4.222 4.320 -0.247 0.000 0.220 240 A C 2.187 179.768 177.584 -0.006 0.000 1.159 240 A CA 1.709 53.743 52.037 -0.005 0.000 0.656 240 A CB -0.688 18.312 19.000 -0.000 0.000 0.800 240 A HN 0.501 nan 8.150 nan 0.000 0.453 241 A N -1.195 121.621 122.820 -0.007 0.000 2.238 241 A HA 0.287 4.459 4.320 -0.247 0.000 0.210 241 A C 1.003 178.579 177.584 -0.013 0.000 1.179 241 A CA 0.521 52.553 52.037 -0.009 0.000 0.827 241 A CB -0.401 18.594 19.000 -0.009 0.000 0.856 241 A HN 0.256 nan 8.150 nan 0.000 0.488 242 T N 1.524 116.070 114.554 -0.014 0.000 2.779 242 T HA 0.194 4.396 4.350 -0.247 0.000 0.296 242 T C -0.120 174.571 174.700 -0.015 0.000 0.938 242 T CA 0.020 62.109 62.100 -0.017 0.000 1.119 242 T CB 0.630 69.487 68.868 -0.018 0.000 0.891 242 T HN 0.466 nan 8.240 nan 0.000 0.526 243 E N 2.947 123.137 120.200 -0.016 0.000 2.152 243 E HA 0.150 4.351 4.350 -0.247 0.000 0.285 243 E C -0.442 176.150 176.600 -0.013 0.000 1.043 243 E CA -0.614 55.778 56.400 -0.013 0.000 0.839 243 E CB 0.597 30.289 29.700 -0.013 0.000 1.069 243 E HN 0.368 nan 8.360 nan 0.000 0.399 244 Q N 3.716 123.509 119.800 -0.012 0.000 2.360 244 Q HA 0.136 4.327 4.340 -0.247 0.000 0.254 244 Q C -1.118 174.877 176.000 -0.009 0.000 0.975 244 Q CA -0.353 55.443 55.803 -0.011 0.000 0.912 244 Q CB 0.852 29.583 28.738 -0.012 0.000 1.212 244 Q HN 0.451 nan 8.270 nan 0.000 0.452 245 D N 2.758 123.153 120.400 -0.008 0.000 2.362 245 D HA 0.095 4.586 4.640 -0.247 0.000 0.242 245 D C -0.212 176.085 176.300 -0.005 0.000 1.132 245 D CA 0.048 54.045 54.000 -0.005 0.000 0.907 245 D CB 0.857 41.654 40.800 -0.005 0.000 1.195 245 D HN 0.390 nan 8.370 nan 0.000 0.429 246 K N 0.220 120.619 120.400 -0.001 0.000 2.202 246 K HA 0.155 4.326 4.320 -0.247 0.000 0.264 246 K C 0.641 177.241 176.600 -0.001 0.000 1.010 246 K CA -0.384 55.904 56.287 0.002 0.000 0.940 246 K CB 0.622 33.127 32.500 0.008 0.000 0.983 246 K HN 0.465 nan 8.250 nan 0.000 0.475 247 T N -0.693 113.860 114.554 -0.001 0.000 2.802 247 T HA 0.057 4.259 4.350 -0.247 0.000 0.305 247 T C -1.881 172.813 174.700 -0.010 0.000 1.053 247 T CA -1.397 60.697 62.100 -0.012 0.000 1.058 247 T CB 0.607 69.468 68.868 -0.012 0.000 0.988 247 T HN 0.267 nan 8.240 nan 0.000 0.539 248 P HA -0.063 nan 4.420 nan 0.000 0.218 248 P C 1.590 178.892 177.300 0.003 0.000 1.148 248 P CA 0.339 63.422 63.100 -0.027 0.000 0.822 248 P CB -0.041 31.614 31.700 -0.076 0.000 0.784 249 L N -0.303 120.927 121.223 0.011 0.000 2.072 249 L HA -0.124 4.068 4.340 -0.247 0.000 0.205 249 L C 2.168 179.075 176.870 0.062 0.000 1.079 249 L CA 1.868 56.750 54.840 0.071 0.000 0.752 249 L CB -1.486 40.642 42.059 0.116 0.000 0.906 249 L HN -0.076 nan 8.230 nan 0.000 0.436 250 Q N -0.974 118.853 119.800 0.046 0.000 2.170 250 Q HA -0.245 3.947 4.340 -0.247 0.000 0.203 250 Q C 2.201 178.229 176.000 0.048 0.000 0.976 250 Q CA 1.972 57.802 55.803 0.045 0.000 0.858 250 Q CB -0.121 28.635 28.738 0.030 0.000 0.907 250 Q HN 0.661 nan 8.270 nan 0.000 0.433 251 Q N -0.146 119.678 119.800 0.040 0.000 2.123 251 Q HA -0.086 4.105 4.340 -0.247 0.000 0.199 251 Q C 1.923 177.960 176.000 0.061 0.000 0.966 251 Q CA 0.625 56.453 55.803 0.043 0.000 0.845 251 Q CB 0.189 28.945 28.738 0.030 0.000 0.907 251 Q HN 0.082 nan 8.270 nan 0.000 0.439 252 K N 0.557 120.998 120.400 0.067 0.000 2.097 252 K HA -0.094 4.077 4.320 -0.247 0.000 0.205 252 K C 1.986 178.656 176.600 0.117 0.000 1.050 252 K CA 0.684 57.023 56.287 0.086 0.000 0.938 252 K CB -0.277 32.270 32.500 0.079 0.000 0.718 252 K HN 0.119 nan 8.250 nan 0.000 0.442 253 L N 1.998 123.286 121.223 0.107 0.000 2.093 253 L HA -0.160 4.032 4.340 -0.247 0.000 0.208 253 L C 1.621 178.599 176.870 0.180 0.000 1.085 253 L CA 1.794 56.721 54.840 0.146 0.000 0.755 253 L CB -0.589 41.532 42.059 0.103 0.000 0.904 253 L HN 0.130 nan 8.230 nan 0.000 0.435 254 D N -0.900 119.567 120.400 0.111 0.000 2.183 254 D HA -0.192 4.300 4.640 -0.247 0.000 0.203 254 D C 2.010 178.356 176.300 0.075 0.000 0.969 254 D CA 1.184 55.232 54.000 0.078 0.000 0.842 254 D CB 0.123 40.952 40.800 0.048 0.000 0.957 254 D HN 0.619 nan 8.370 nan 0.000 0.484 255 E N 0.197 120.456 120.200 0.098 0.000 2.107 255 E HA -0.181 4.021 4.350 -0.247 0.000 0.191 255 E C 2.045 178.713 176.600 0.113 0.000 0.982 255 E CA 0.471 56.924 56.400 0.088 0.000 0.809 255 E CB -0.566 29.189 29.700 0.093 0.000 0.756 255 E HN 0.215 nan 8.360 nan 0.000 0.459 256 F N 1.985 121.945 119.950 0.017 0.000 2.216 256 F HA 0.086 4.463 4.527 -0.250 0.000 0.300 256 F C 1.956 177.756 175.800 0.001 0.000 1.085 256 F CA 1.739 59.744 58.000 0.009 0.000 1.326 256 F CB -0.547 38.456 39.000 0.004 0.000 1.027 256 F HN 0.084 nan 8.300 nan 0.000 0.497 257 G N 0.478 109.188 108.800 -0.150 0.000 2.434 257 G HA2 -0.211 3.601 3.960 -0.247 0.000 0.214 257 G HA3 -0.211 3.601 3.960 -0.247 0.000 0.214 257 G C 1.484 176.255 174.900 -0.214 0.000 1.202 257 G CA 0.783 45.732 45.100 -0.252 0.000 0.788 257 G HN 0.398 nan 8.290 nan 0.000 0.539 258 E N 0.608 120.746 120.200 -0.105 0.000 2.048 258 E HA -0.218 3.984 4.350 -0.247 0.000 0.202 258 E C 2.514 179.053 176.600 -0.102 0.000 1.021 258 E CA 1.169 57.523 56.400 -0.076 0.000 0.825 258 E CB -0.561 29.121 29.700 -0.030 0.000 0.756 258 E HN 0.342 nan 8.360 nan 0.000 0.454 259 Q N 0.435 120.177 119.800 -0.098 0.000 2.077 259 Q HA -0.148 4.044 4.340 -0.247 0.000 0.206 259 Q C 2.412 178.312 176.000 -0.167 0.000 0.989 259 Q CA 0.849 56.599 55.803 -0.089 0.000 0.853 259 Q CB -0.617 28.108 28.738 -0.022 0.000 0.907 259 Q HN 0.238 nan 8.270 nan 0.000 0.418 260 L N 0.508 121.524 121.223 -0.346 0.000 2.042 260 L HA -0.159 4.033 4.340 -0.247 0.000 0.210 260 L C 2.392 179.126 176.870 -0.228 0.000 1.076 260 L CA 2.176 56.777 54.840 -0.399 0.000 0.749 260 L CB -1.005 40.610 42.059 -0.740 0.000 0.893 260 L HN 0.114 nan 8.230 nan 0.000 0.432 261 S N -0.877 114.709 115.700 -0.191 0.000 2.355 261 S HA -0.220 4.102 4.470 -0.247 0.000 0.222 261 S C 2.126 176.672 174.600 -0.090 0.000 1.031 261 S CA 1.433 59.561 58.200 -0.121 0.000 0.993 261 S CB -0.350 62.792 63.200 -0.097 0.000 0.859 261 S HN 0.473 nan 8.310 nan 0.000 0.453 262 K N 1.191 121.542 120.400 -0.081 0.000 2.152 262 K HA 0.022 4.194 4.320 -0.247 0.000 0.206 262 K C 1.678 178.246 176.600 -0.054 0.000 1.048 262 K CA 1.608 57.862 56.287 -0.056 0.000 0.933 262 K CB -0.794 31.681 32.500 -0.040 0.000 0.721 262 K HN 0.334 nan 8.250 nan 0.000 0.447 263 V N 0.725 120.598 119.914 -0.068 0.000 2.488 263 V HA -0.126 3.846 4.120 -0.247 0.000 0.246 263 V C 2.255 178.309 176.094 -0.067 0.000 1.046 263 V CA 1.434 63.697 62.300 -0.063 0.000 1.053 263 V CB -0.335 31.448 31.823 -0.067 0.000 0.679 263 V HN 0.236 nan 8.190 nan 0.000 0.458 264 I N 1.380 121.906 120.570 -0.074 0.000 2.127 264 I HA -0.294 3.728 4.170 -0.247 0.000 0.241 264 I C 2.834 178.922 176.117 -0.049 0.000 1.075 264 I CA 2.121 63.384 61.300 -0.062 0.000 1.334 264 I CB -0.693 37.268 38.000 -0.066 0.000 1.040 264 I HN 0.525 nan 8.210 nan 0.000 0.405 265 S N 1.268 116.938 115.700 -0.050 0.000 2.374 265 S HA -0.207 4.115 4.470 -0.247 0.000 0.227 265 S C 2.114 176.696 174.600 -0.030 0.000 1.037 265 S CA 0.998 59.172 58.200 -0.043 0.000 1.024 265 S CB -0.789 62.384 63.200 -0.045 0.000 0.861 265 S HN 0.329 nan 8.310 nan 0.000 0.456 266 L N 1.396 122.599 121.223 -0.033 0.000 2.131 266 L HA 0.123 4.314 4.340 -0.247 0.000 0.210 266 L C 2.300 179.154 176.870 -0.026 0.000 1.092 266 L CA 1.567 56.393 54.840 -0.025 0.000 0.759 266 L CB -1.041 40.998 42.059 -0.033 0.000 0.903 266 L HN 0.462 nan 8.230 nan 0.000 0.435 267 I N -1.920 118.623 120.570 -0.046 0.000 2.617 267 I HA -0.256 3.766 4.170 -0.247 0.000 0.256 267 I C 2.529 178.674 176.117 0.046 0.000 1.167 267 I CA 0.284 61.551 61.300 -0.054 0.000 1.469 267 I CB -0.258 37.691 38.000 -0.084 0.000 1.098 267 I HN 0.260 nan 8.210 nan 0.000 0.436 268 C N 0.277 119.596 119.300 0.033 0.000 2.446 268 C HA -0.081 4.230 4.460 -0.247 0.000 0.277 268 C C 2.844 177.905 174.990 0.119 0.000 1.275 268 C CA 0.460 59.510 59.018 0.053 0.000 1.727 268 C CB -0.523 27.218 27.740 0.002 0.000 2.010 268 C HN 0.327 nan 8.230 nan 0.000 0.486 269 V N 1.301 121.275 119.914 0.100 0.000 2.626 269 V HA -0.137 3.834 4.120 -0.247 0.000 0.252 269 V C 2.598 178.849 176.094 0.262 0.000 1.067 269 V CA 1.942 64.345 62.300 0.172 0.000 1.081 269 V CB -1.153 30.725 31.823 0.091 0.000 0.686 269 V HN 0.591 nan 8.190 nan 0.000 0.468 270 A N -0.006 122.922 122.820 0.180 0.000 1.898 270 A HA -0.110 4.062 4.320 -0.247 0.000 0.216 270 A C 2.289 180.052 177.584 0.298 0.000 1.181 270 A CA 1.717 53.878 52.037 0.206 0.000 0.620 270 A CB -0.546 18.507 19.000 0.088 0.000 0.819 270 A HN 0.347 nan 8.150 nan 0.000 0.442 271 V N -2.323 117.760 119.914 0.280 0.000 2.913 271 V HA -0.206 3.766 4.120 -0.247 0.000 0.260 271 V C 1.976 178.142 176.094 0.120 0.000 1.098 271 V CA 1.596 64.001 62.300 0.175 0.000 1.121 271 V CB -0.791 31.069 31.823 0.062 0.000 0.714 271 V HN 0.839 nan 8.190 nan 0.000 0.487 272 W N 0.223 121.552 121.300 0.049 0.000 2.526 272 W HA 0.069 4.580 4.660 -0.248 0.000 0.294 272 W C 1.974 178.582 176.519 0.148 0.000 1.181 272 W CA 0.712 58.123 57.345 0.111 0.000 1.373 272 W CB -0.057 29.485 29.460 0.138 0.000 1.112 272 W HN 0.119 nan 8.180 nan 0.000 0.545 273 L N 0.739 122.093 121.223 0.218 0.000 2.353 273 L HA -0.170 4.022 4.340 -0.247 0.000 0.220 273 L C 1.921 178.760 176.870 -0.051 0.000 1.133 273 L CA 0.952 55.806 54.840 0.024 0.000 0.798 273 L CB -0.565 41.599 42.059 0.175 0.000 0.922 273 L HN 0.075 nan 8.230 nan 0.000 0.445 274 I N -0.915 119.656 120.570 0.002 0.000 3.226 274 I HA -0.106 3.916 4.170 -0.247 0.000 0.277 274 I C 1.081 177.168 176.117 -0.050 0.000 1.243 274 I CA 0.814 62.110 61.300 -0.006 0.000 1.459 274 I CB -0.045 37.976 38.000 0.034 0.000 1.093 274 I HN 0.282 nan 8.210 nan 0.000 0.453 275 N N 0.562 119.220 118.700 -0.069 0.000 2.238 275 N HA 0.249 4.841 4.740 -0.247 0.000 0.222 275 N C 1.385 176.867 175.510 -0.047 0.000 1.133 275 N CA -0.124 52.932 53.050 0.011 0.000 0.854 275 N CB 0.574 39.207 38.487 0.243 0.000 1.041 275 N HN 0.231 nan 8.380 nan 0.000 0.510 276 I N 0.199 120.656 120.570 -0.188 0.000 2.850 276 I HA -0.107 3.915 4.170 -0.247 0.000 0.266 276 I C 2.306 178.470 176.117 0.078 0.000 1.257 276 I CA 0.683 61.898 61.300 -0.141 0.000 1.465 276 I CB -0.245 37.565 38.000 -0.316 0.000 1.091 276 I HN 0.220 nan 8.210 nan 0.000 0.467 277 G N -0.209 108.561 108.800 -0.049 0.000 2.559 277 G HA2 -0.177 3.634 3.960 -0.247 0.000 0.216 277 G HA3 -0.177 3.634 3.960 -0.247 0.000 0.216 277 G C 1.381 176.226 174.900 -0.091 0.000 1.126 277 G CA 0.208 45.258 45.100 -0.083 0.000 0.778 277 G HN 0.422 nan 8.290 nan 0.000 0.543 278 H N -0.552 118.518 119.070 0.000 0.000 2.546 278 H HA 0.069 4.476 4.556 -0.247 0.000 0.277 278 H C 1.545 176.783 175.328 -0.151 0.000 1.004 278 H CA 0.272 56.258 56.048 -0.104 0.000 1.231 278 H CB 0.012 29.656 29.762 -0.197 0.000 1.382 278 H HN 0.419 nan 8.280 nan 0.000 0.580 279 F N 0.592 120.539 119.950 -0.005 0.000 2.604 279 F HA -0.030 4.349 4.527 -0.247 0.000 0.298 279 F C 1.602 177.404 175.800 0.003 0.000 1.131 279 F CA 0.499 58.494 58.000 -0.009 0.000 1.457 279 F CB 0.152 39.141 39.000 -0.020 0.000 1.095 279 F HN 0.057 nan 8.300 nan 0.000 0.574 280 N N -0.204 118.580 118.700 0.140 0.000 2.251 280 N HA 0.013 4.604 4.740 -0.247 0.000 0.217 280 N C -0.426 175.118 175.510 0.056 0.000 1.124 280 N CA 0.231 53.331 53.050 0.082 0.000 0.843 280 N CB 0.050 38.564 38.487 0.045 0.000 1.024 280 N HN 0.162 nan 8.380 nan 0.000 0.501 281 D N 1.468 121.904 120.400 0.061 0.000 2.340 281 D HA 0.255 4.746 4.640 -0.247 0.000 0.251 281 D C -1.772 174.584 176.300 0.093 0.000 1.080 281 D CA -1.050 52.993 54.000 0.072 0.000 0.971 281 D CB 0.987 41.846 40.800 0.098 0.000 1.137 281 D HN 0.080 nan 8.370 nan 0.000 0.475 282 P HA -0.037 nan 4.420 nan 0.000 0.269 282 P C 0.945 178.333 177.300 0.147 0.000 1.209 282 P CA -0.320 62.855 63.100 0.125 0.000 0.776 282 P CB 1.088 32.864 31.700 0.127 0.000 0.876 283 V N 2.690 122.675 119.914 0.118 0.000 2.392 283 V HA -0.179 3.793 4.120 -0.247 0.000 0.249 283 V C 0.513 176.522 176.094 -0.142 0.000 1.059 283 V CA 1.723 64.032 62.300 0.014 0.000 1.051 283 V CB -1.102 30.655 31.823 -0.110 0.000 0.658 283 V HN 0.583 nan 8.190 nan 0.000 0.455 284 H N -0.214 118.890 119.070 0.056 0.000 2.458 284 H HA 0.701 5.109 4.556 -0.247 0.000 0.330 284 H C 0.301 175.656 175.328 0.045 0.000 1.111 284 H CA 0.336 56.390 56.048 0.009 0.000 1.245 284 H CB 1.292 31.047 29.762 -0.012 0.000 1.456 284 H HN 0.602 nan 8.280 nan 0.000 0.488 285 G N 0.638 109.515 108.800 0.128 0.000 2.406 285 G HA2 0.445 4.257 3.960 -0.247 0.000 0.680 285 G HA3 0.445 4.257 3.960 -0.247 0.000 0.680 285 G C -0.021 174.961 174.900 0.137 0.000 1.338 285 G CA -0.193 44.976 45.100 0.115 0.000 0.941 285 G HN 1.175 nan 8.290 nan 0.000 0.633 286 G N -0.837 108.028 108.800 0.108 0.000 2.915 286 G HA2 0.301 4.112 3.960 -0.247 0.000 0.337 286 G HA3 0.301 4.112 3.960 -0.247 0.000 0.337 286 G C 0.120 175.103 174.900 0.138 0.000 1.477 286 G CA 0.535 45.706 45.100 0.117 0.000 0.916 286 G HN 2.018 nan 8.290 nan 0.000 0.550 287 S N 0.135 115.908 115.700 0.122 0.000 2.520 287 S HA 0.406 4.728 4.470 -0.247 0.000 0.324 287 S C 0.441 175.165 174.600 0.207 0.000 1.069 287 S CA -0.324 57.950 58.200 0.124 0.000 1.121 287 S CB 0.906 64.129 63.200 0.039 0.000 0.971 287 S HN 0.569 nan 8.310 nan 0.000 0.463 288 W N 2.121 123.365 121.300 -0.094 0.000 2.611 288 W HA 0.065 4.576 4.660 -0.247 0.000 0.251 288 W C 1.564 178.016 176.519 -0.111 0.000 1.265 288 W CA -0.275 56.997 57.345 -0.122 0.000 1.295 288 W CB -0.531 28.866 29.460 -0.105 0.000 1.129 288 W HN 0.643 nan 8.180 nan 0.000 0.630 289 I N 0.030 120.685 120.570 0.141 0.000 2.867 289 I HA -0.019 4.003 4.170 -0.247 0.000 0.265 289 I C 2.286 178.415 176.117 0.020 0.000 1.162 289 I CA 1.174 62.520 61.300 0.076 0.000 1.471 289 I CB -0.240 37.817 38.000 0.094 0.000 1.123 289 I HN -0.227 nan 8.210 nan 0.000 0.440 290 R N 0.004 120.511 120.500 0.013 0.000 2.148 290 R HA 0.043 4.234 4.340 -0.247 0.000 0.223 290 R C 2.197 178.503 176.300 0.009 0.000 1.088 290 R CA 1.006 57.108 56.100 0.003 0.000 0.985 290 R CB -0.619 29.674 30.300 -0.013 0.000 0.880 290 R HN 0.489 nan 8.270 nan 0.000 0.451 291 G N 0.898 109.657 108.800 -0.068 0.000 2.404 291 G HA2 -0.240 3.571 3.960 -0.247 0.000 0.215 291 G HA3 -0.240 3.571 3.960 -0.247 0.000 0.215 291 G C 1.558 176.355 174.900 -0.171 0.000 1.174 291 G CA 0.724 45.719 45.100 -0.176 0.000 0.780 291 G HN 0.365 nan 8.290 nan 0.000 0.537 292 A N 0.916 123.624 122.820 -0.187 0.000 1.883 292 A HA -0.019 4.153 4.320 -0.247 0.000 0.217 292 A C 2.407 179.969 177.584 -0.037 0.000 1.186 292 A CA 1.432 53.365 52.037 -0.174 0.000 0.624 292 A CB -0.444 18.401 19.000 -0.258 0.000 0.822 292 A HN 0.375 nan 8.150 nan 0.000 0.444 293 I N -2.071 118.497 120.570 -0.004 0.000 2.264 293 I HA -0.273 3.749 4.170 -0.247 0.000 0.248 293 I C 2.450 178.716 176.117 0.247 0.000 1.111 293 I CA 1.713 63.066 61.300 0.088 0.000 1.382 293 I CB -0.399 37.641 38.000 0.067 0.000 1.060 293 I HN 0.543 nan 8.210 nan 0.000 0.418 294 Y N 1.162 121.558 120.300 0.159 0.000 2.070 294 Y HA -0.340 4.063 4.550 -0.246 0.000 0.279 294 Y C 2.518 178.648 175.900 0.383 0.000 1.134 294 Y CA 1.696 59.941 58.100 0.241 0.000 1.113 294 Y CB -0.742 37.870 38.460 0.254 0.000 0.981 294 Y HN 0.046 nan 8.280 nan 0.000 0.487 295 Y N -0.936 119.506 120.300 0.235 0.000 2.151 295 Y HA -0.279 4.123 4.550 -0.248 0.000 0.284 295 Y C 2.332 178.360 175.900 0.213 0.000 1.166 295 Y CA 1.521 59.739 58.100 0.197 0.000 1.163 295 Y CB -1.409 37.248 38.460 0.329 0.000 0.974 295 Y HN 0.156 nan 8.280 nan 0.000 0.511 296 F N -0.141 119.927 119.950 0.197 0.000 2.234 296 F HA -0.104 4.274 4.527 -0.248 0.000 0.299 296 F C 2.263 178.104 175.800 0.068 0.000 1.087 296 F CA 1.028 59.101 58.000 0.121 0.000 1.340 296 F CB -0.657 38.417 39.000 0.123 0.000 1.031 296 F HN -0.046 nan 8.300 nan 0.000 0.500 297 K N 0.515 121.054 120.400 0.231 0.000 2.097 297 K HA -0.134 4.037 4.320 -0.247 0.000 0.205 297 K C 2.046 178.654 176.600 0.014 0.000 1.050 297 K CA 1.570 57.919 56.287 0.105 0.000 0.938 297 K CB -0.311 32.230 32.500 0.068 0.000 0.718 297 K HN 0.413 nan 8.250 nan 0.000 0.442 298 I N -2.814 117.715 120.570 -0.069 0.000 2.761 298 I HA 0.022 4.043 4.170 -0.247 0.000 0.261 298 I C 1.987 178.081 176.117 -0.039 0.000 1.198 298 I CA 0.860 62.100 61.300 -0.099 0.000 1.482 298 I CB -0.054 37.818 38.000 -0.213 0.000 1.100 298 I HN -0.099 nan 8.210 nan 0.000 0.445 299 A N 1.561 124.366 122.820 -0.024 0.000 1.873 299 A HA -0.073 4.099 4.320 -0.247 0.000 0.215 299 A C 2.383 179.960 177.584 -0.012 0.000 1.186 299 A CA 1.988 54.002 52.037 -0.038 0.000 0.616 299 A CB -1.132 17.808 19.000 -0.099 0.000 0.823 299 A HN 0.319 nan 8.150 nan 0.000 0.442 300 V N -0.028 119.896 119.914 0.017 0.000 2.324 300 V HA -0.307 3.665 4.120 -0.247 0.000 0.250 300 V C 3.039 179.153 176.094 0.035 0.000 1.060 300 V CA 2.156 64.481 62.300 0.041 0.000 1.042 300 V CB -1.176 30.693 31.823 0.076 0.000 0.650 300 V HN 0.628 nan 8.190 nan 0.000 0.450 301 A N -0.843 121.993 122.820 0.027 0.000 1.930 301 A HA -0.092 4.079 4.320 -0.247 0.000 0.217 301 A C 2.214 179.810 177.584 0.020 0.000 1.175 301 A CA 1.292 53.345 52.037 0.027 0.000 0.627 301 A CB -0.417 18.593 19.000 0.018 0.000 0.815 301 A HN 0.387 nan 8.150 nan 0.000 0.443 302 L N -0.338 120.891 121.223 0.010 0.000 1.994 302 L HA -0.163 4.028 4.340 -0.247 0.000 0.208 302 L C 2.950 179.820 176.870 0.000 0.000 1.071 302 L CA 2.290 57.135 54.840 0.008 0.000 0.745 302 L CB -1.448 40.612 42.059 0.001 0.000 0.892 302 L HN 0.434 nan 8.230 nan 0.000 0.431 303 A N -0.939 121.879 122.820 -0.003 0.000 1.908 303 A HA -0.173 3.999 4.320 -0.247 0.000 0.218 303 A C 2.272 179.858 177.584 0.004 0.000 1.181 303 A CA 2.001 54.034 52.037 -0.007 0.000 0.627 303 A CB -0.783 18.215 19.000 -0.004 0.000 0.818 303 A HN 0.312 nan 8.150 nan 0.000 0.445 304 V N -0.691 119.235 119.914 0.020 0.000 2.871 304 V HA -0.085 3.887 4.120 -0.247 0.000 0.256 304 V C 2.793 178.901 176.094 0.024 0.000 1.082 304 V CA 1.532 63.849 62.300 0.029 0.000 1.105 304 V CB -0.676 31.176 31.823 0.048 0.000 0.713 304 V HN 0.609 nan 8.190 nan 0.000 0.473 305 A N -0.236 122.595 122.820 0.018 0.000 2.021 305 A HA 0.240 4.412 4.320 -0.247 0.000 0.216 305 A C 2.271 179.857 177.584 0.004 0.000 1.163 305 A CA 1.283 53.328 52.037 0.013 0.000 0.676 305 A CB -0.298 18.713 19.000 0.018 0.000 0.818 305 A HN 0.495 nan 8.150 nan 0.000 0.453 306 A N -0.687 122.132 122.820 -0.001 0.000 2.072 306 A HA 0.305 4.477 4.320 -0.247 0.000 0.216 306 A C 0.721 178.313 177.584 0.013 0.000 1.156 306 A CA 0.327 52.360 52.037 -0.006 0.000 0.701 306 A CB -0.079 18.898 19.000 -0.038 0.000 0.816 306 A HN 0.302 nan 8.150 nan 0.000 0.458 307 I N 1.696 122.271 120.570 0.010 0.000 2.325 307 I HA 0.215 4.236 4.170 -0.247 0.000 0.291 307 I C -2.495 173.644 176.117 0.037 0.000 1.019 307 I CA -2.631 58.686 61.300 0.028 0.000 1.302 307 I CB 0.891 38.896 38.000 0.009 0.000 1.401 307 I HN 0.045 nan 8.210 nan 0.000 0.485 308 P HA 0.205 nan 4.420 nan 0.000 0.256 308 P C 0.207 177.509 177.300 0.003 0.000 1.689 308 P CA -0.238 62.871 63.100 0.015 0.000 1.124 308 P CB 0.586 32.294 31.700 0.013 0.000 1.766 309 E N 2.342 122.537 120.200 -0.008 0.000 2.130 309 E HA -0.152 4.049 4.350 -0.247 0.000 0.196 309 E C 2.149 178.727 176.600 -0.038 0.000 0.998 309 E CA 2.000 58.391 56.400 -0.016 0.000 0.806 309 E CB -0.676 29.018 29.700 -0.010 0.000 0.738 309 E HN 0.530 nan 8.360 nan 0.000 0.459 310 G N -0.341 108.423 108.800 -0.059 0.000 3.042 310 G HA2 -0.014 3.798 3.960 -0.247 0.000 0.212 310 G HA3 -0.014 3.798 3.960 -0.247 0.000 0.212 310 G C 1.193 176.033 174.900 -0.100 0.000 1.166 310 G CA -0.190 44.858 45.100 -0.087 0.000 0.767 310 G HN 0.129 nan 8.290 nan 0.000 0.546 311 L N 2.106 123.289 121.223 -0.068 0.000 2.046 311 L HA 0.077 4.268 4.340 -0.247 0.000 0.208 311 L C 0.175 177.018 176.870 -0.045 0.000 1.077 311 L CA 1.810 56.617 54.840 -0.056 0.000 0.747 311 L CB -0.787 41.268 42.059 -0.007 0.000 0.896 311 L HN 0.051 nan 8.230 nan 0.000 0.432 312 P HA -0.129 nan 4.420 nan 0.000 0.220 312 P C 1.224 178.498 177.300 -0.044 0.000 1.148 312 P CA 1.880 64.969 63.100 -0.018 0.000 0.803 312 P CB -0.056 31.634 31.700 -0.017 0.000 0.782 313 A N -0.316 122.457 122.820 -0.079 0.000 1.975 313 A HA 0.024 4.196 4.320 -0.247 0.000 0.215 313 A C 2.385 179.882 177.584 -0.146 0.000 1.170 313 A CA 0.867 52.845 52.037 -0.097 0.000 0.656 313 A CB -1.258 17.681 19.000 -0.103 0.000 0.821 313 A HN 0.022 nan 8.150 nan 0.000 0.449 314 V N 0.411 120.190 119.914 -0.225 0.000 2.307 314 V HA -0.239 3.732 4.120 -0.247 0.000 0.245 314 V C 2.402 178.257 176.094 -0.397 0.000 1.045 314 V CA 1.903 63.956 62.300 -0.412 0.000 1.024 314 V CB -0.692 30.747 31.823 -0.640 0.000 0.651 314 V HN 0.555 nan 8.190 nan 0.000 0.449 315 I N 0.201 120.645 120.570 -0.210 0.000 2.151 315 I HA -0.293 3.729 4.170 -0.247 0.000 0.243 315 I C 2.552 178.697 176.117 0.047 0.000 1.080 315 I CA 2.067 63.415 61.300 0.079 0.000 1.339 315 I CB -0.620 37.470 38.000 0.150 0.000 1.039 315 I HN 0.337 nan 8.210 nan 0.000 0.409 316 T N -0.301 114.252 114.554 -0.003 0.000 2.788 316 T HA -0.160 4.042 4.350 -0.247 0.000 0.268 316 T C 1.864 176.565 174.700 0.001 0.000 1.044 316 T CA 1.922 64.028 62.100 0.011 0.000 1.139 316 T CB -0.281 68.587 68.868 0.000 0.000 0.867 316 T HN 0.375 nan 8.240 nan 0.000 0.454 317 T N 0.724 115.252 114.554 -0.044 0.000 2.812 317 T HA -0.099 4.102 4.350 -0.247 0.000 0.264 317 T C 2.269 176.975 174.700 0.010 0.000 1.042 317 T CA 0.994 63.074 62.100 -0.033 0.000 1.140 317 T CB -0.671 68.149 68.868 -0.080 0.000 0.870 317 T HN 0.504 nan 8.240 nan 0.000 0.445 318 C N 1.272 120.574 119.300 0.003 0.000 2.432 318 C HA -0.027 4.285 4.460 -0.247 0.000 0.277 318 C C 2.497 177.554 174.990 0.111 0.000 1.249 318 C CA 0.458 59.535 59.018 0.097 0.000 1.725 318 C CB -1.417 26.445 27.740 0.203 0.000 2.028 318 C HN 0.348 nan 8.230 nan 0.000 0.477 319 L N 1.656 122.937 121.223 0.097 0.000 2.012 319 L HA -0.030 4.162 4.340 -0.247 0.000 0.210 319 L C 2.898 179.803 176.870 0.059 0.000 1.073 319 L CA 2.407 57.295 54.840 0.081 0.000 0.748 319 L CB -1.555 40.551 42.059 0.078 0.000 0.891 319 L HN 0.447 nan 8.230 nan 0.000 0.431 320 A N -0.905 121.946 122.820 0.051 0.000 1.877 320 A HA -0.177 3.995 4.320 -0.247 0.000 0.216 320 A C 2.347 179.950 177.584 0.032 0.000 1.186 320 A CA 1.651 53.713 52.037 0.042 0.000 0.620 320 A CB -0.760 18.262 19.000 0.036 0.000 0.822 320 A HN 0.387 nan 8.150 nan 0.000 0.443 321 L N -0.779 120.465 121.223 0.036 0.000 2.017 321 L HA -0.153 4.039 4.340 -0.247 0.000 0.208 321 L C 2.861 179.732 176.870 0.002 0.000 1.073 321 L CA 1.240 56.087 54.840 0.013 0.000 0.745 321 L CB -0.896 41.187 42.059 0.040 0.000 0.894 321 L HN 0.509 nan 8.230 nan 0.000 0.432 322 G N -1.054 107.766 108.800 0.033 0.000 2.422 322 G HA2 -0.232 3.580 3.960 -0.247 0.000 0.218 322 G HA3 -0.232 3.580 3.960 -0.247 0.000 0.218 322 G C 1.566 176.472 174.900 0.011 0.000 1.146 322 G CA 1.235 46.349 45.100 0.023 0.000 0.769 322 G HN 0.274 nan 8.290 nan 0.000 0.547 323 T N 0.743 115.308 114.554 0.019 0.000 2.652 323 T HA -0.109 4.092 4.350 -0.247 0.000 0.267 323 T C 2.477 177.180 174.700 0.005 0.000 1.039 323 T CA 1.219 63.327 62.100 0.014 0.000 1.153 323 T CB -0.175 68.707 68.868 0.023 0.000 0.863 323 T HN 0.278 nan 8.240 nan 0.000 0.428 324 R N 0.528 121.029 120.500 0.002 0.000 2.152 324 R HA 0.013 4.205 4.340 -0.247 0.000 0.232 324 R C 2.630 178.921 176.300 -0.013 0.000 1.117 324 R CA 0.883 56.980 56.100 -0.004 0.000 0.981 324 R CB -0.184 30.111 30.300 -0.008 0.000 0.870 324 R HN 0.290 nan 8.270 nan 0.000 0.451 325 R N 0.684 121.172 120.500 -0.020 0.000 2.090 325 R HA -0.006 4.185 4.340 -0.247 0.000 0.228 325 R C 2.027 178.317 176.300 -0.018 0.000 1.110 325 R CA 1.116 57.200 56.100 -0.027 0.000 0.973 325 R CB 0.028 30.306 30.300 -0.037 0.000 0.869 325 R HN 0.163 nan 8.270 nan 0.000 0.440 326 M N -0.204 119.389 119.600 -0.012 0.000 2.254 326 M HA -0.010 4.322 4.480 -0.247 0.000 0.265 326 M C 2.246 178.538 176.300 -0.012 0.000 1.066 326 M CA 1.373 56.665 55.300 -0.013 0.000 1.123 326 M CB 0.057 32.651 32.600 -0.010 0.000 1.388 326 M HN 0.244 nan 8.290 nan 0.000 0.425 327 A N 0.121 122.936 122.820 -0.008 0.000 2.067 327 A HA -0.107 4.065 4.320 -0.247 0.000 0.219 327 A C 2.019 179.598 177.584 -0.008 0.000 1.158 327 A CA 1.215 53.248 52.037 -0.007 0.000 0.661 327 A CB -0.334 18.664 19.000 -0.002 0.000 0.801 327 A HN 0.263 nan 8.150 nan 0.000 0.452 328 K N 0.137 120.531 120.400 -0.010 0.000 2.288 328 K HA -0.011 4.161 4.320 -0.247 0.000 0.201 328 K C 0.662 177.256 176.600 -0.011 0.000 1.048 328 K CA 0.881 57.162 56.287 -0.010 0.000 0.956 328 K CB -0.044 32.448 32.500 -0.013 0.000 0.746 328 K HN 0.495 nan 8.250 nan 0.000 0.461 329 K N 1.037 121.428 120.400 -0.014 0.000 2.498 329 K HA 0.125 4.297 4.320 -0.247 0.000 0.207 329 K C -0.383 176.207 176.600 -0.017 0.000 1.033 329 K CA -0.182 56.096 56.287 -0.016 0.000 1.138 329 K CB 0.331 32.819 32.500 -0.020 0.000 0.860 329 K HN 0.012 nan 8.250 nan 0.000 0.490 330 N N -0.008 118.684 118.700 -0.013 0.000 2.800 330 N HA -0.172 4.420 4.740 -0.247 0.000 0.250 330 N C -0.776 174.725 175.510 -0.015 0.000 1.078 330 N CA 1.141 54.184 53.050 -0.011 0.000 0.804 330 N CB -1.240 37.241 38.487 -0.010 0.000 1.135 330 N HN 0.360 nan 8.380 nan 0.000 0.565 331 A N 0.759 123.568 122.820 -0.018 0.000 2.267 331 A HA 0.667 4.839 4.320 -0.247 0.000 0.315 331 A C 0.412 177.988 177.584 -0.013 0.000 1.297 331 A CA -0.496 51.528 52.037 -0.020 0.000 0.865 331 A CB 0.474 19.457 19.000 -0.029 0.000 1.165 331 A HN 0.242 nan 8.150 nan 0.000 0.513 332 I N 3.985 124.549 120.570 -0.010 0.000 2.287 332 I HA 0.186 4.208 4.170 -0.247 0.000 0.290 332 I C -0.461 175.653 176.117 -0.006 0.000 1.069 332 I CA -0.512 60.785 61.300 -0.005 0.000 1.237 332 I CB 1.138 39.136 38.000 -0.003 0.000 1.418 332 I HN 0.273 nan 8.210 nan 0.000 0.481 333 V N 7.545 127.457 119.914 -0.003 0.000 2.461 333 V HA 0.271 4.242 4.120 -0.247 0.000 0.275 333 V C 1.177 177.272 176.094 0.000 0.000 1.047 333 V CA -0.336 61.963 62.300 -0.002 0.000 0.955 333 V CB 1.179 33.003 31.823 0.001 0.000 0.988 333 V HN 0.744 nan 8.190 nan 0.000 0.471 334 R N 2.067 122.564 120.500 -0.004 0.000 2.105 334 R HA 0.108 4.300 4.340 -0.247 0.000 0.214 334 R C 1.034 177.331 176.300 -0.006 0.000 1.091 334 R CA 0.410 56.506 56.100 -0.007 0.000 1.007 334 R CB 0.102 30.395 30.300 -0.013 0.000 0.912 334 R HN 0.576 nan 8.270 nan 0.000 0.450 335 S N 1.531 117.228 115.700 -0.005 0.000 2.430 335 S HA 0.155 4.477 4.470 -0.247 0.000 0.289 335 S C 1.372 175.978 174.600 0.009 0.000 1.143 335 S CA -0.622 57.577 58.200 -0.002 0.000 1.067 335 S CB 0.552 63.748 63.200 -0.007 0.000 0.964 335 S HN 0.089 nan 8.310 nan 0.000 0.485 336 L N 6.181 127.416 121.223 0.019 0.000 2.013 336 L HA -0.006 4.186 4.340 -0.247 0.000 0.212 336 L C -0.742 176.147 176.870 0.033 0.000 1.073 336 L CA 1.998 56.858 54.840 0.033 0.000 0.753 336 L CB -2.777 39.310 42.059 0.046 0.000 0.890 336 L HN 0.523 nan 8.230 nan 0.000 0.432 337 P HA -0.016 nan 4.420 nan 0.000 0.239 337 P C 1.577 178.885 177.300 0.013 0.000 1.184 337 P CA 0.686 63.801 63.100 0.027 0.000 0.760 337 P CB 0.119 31.832 31.700 0.021 0.000 0.884 338 S N -0.787 114.917 115.700 0.008 0.000 2.446 338 S HA -0.074 4.248 4.470 -0.247 0.000 0.225 338 S C 1.898 176.495 174.600 -0.005 0.000 1.016 338 S CA 0.984 59.182 58.200 -0.004 0.000 0.943 338 S CB -0.997 62.200 63.200 -0.006 0.000 0.786 338 S HN 0.132 nan 8.310 nan 0.000 0.508 339 V N 1.127 121.046 119.914 0.009 0.000 2.380 339 V HA -0.213 3.759 4.120 -0.247 0.000 0.251 339 V C 2.144 178.241 176.094 0.005 0.000 1.063 339 V CA 2.059 64.367 62.300 0.013 0.000 1.055 339 V CB -0.740 31.104 31.823 0.034 0.000 0.657 339 V HN 0.452 nan 8.190 nan 0.000 0.455 340 E N 0.693 120.896 120.200 0.004 0.000 2.001 340 E HA -0.250 3.952 4.350 -0.247 0.000 0.193 340 E C 2.356 178.890 176.600 -0.109 0.000 0.994 340 E CA 1.902 58.275 56.400 -0.045 0.000 0.815 340 E CB -0.558 29.119 29.700 -0.038 0.000 0.770 340 E HN 0.590 nan 8.360 nan 0.000 0.453 341 T N 0.849 115.353 114.554 -0.083 0.000 2.802 341 T HA -0.193 4.008 4.350 -0.247 0.000 0.269 341 T C 1.898 176.557 174.700 -0.068 0.000 1.062 341 T CA 1.315 63.367 62.100 -0.081 0.000 1.133 341 T CB -0.276 68.563 68.868 -0.049 0.000 0.852 341 T HN 0.122 nan 8.240 nan 0.000 0.485 342 L N 0.845 122.036 121.223 -0.052 0.000 2.056 342 L HA 0.227 4.418 4.340 -0.247 0.000 0.207 342 L C 2.651 179.489 176.870 -0.052 0.000 1.078 342 L CA 2.147 56.960 54.840 -0.044 0.000 0.749 342 L CB -1.237 40.802 42.059 -0.033 0.000 0.901 342 L HN 0.328 nan 8.230 nan 0.000 0.433 343 G N -1.482 107.282 108.800 -0.060 0.000 2.462 343 G HA2 -0.261 3.551 3.960 -0.247 0.000 0.220 343 G HA3 -0.261 3.551 3.960 -0.247 0.000 0.220 343 G C 1.346 176.199 174.900 -0.077 0.000 1.121 343 G CA 1.054 46.118 45.100 -0.059 0.000 0.758 343 G HN 0.550 nan 8.290 nan 0.000 0.559 344 C N 1.040 120.278 119.300 -0.103 0.000 2.626 344 C HA 0.231 4.543 4.460 -0.247 0.000 0.266 344 C C 1.373 176.332 174.990 -0.053 0.000 1.317 344 C CA -0.853 58.109 59.018 -0.092 0.000 1.716 344 C CB -1.220 26.447 27.740 -0.121 0.000 1.819 344 C HN 0.279 nan 8.230 nan 0.000 0.578 345 T N 1.688 116.216 114.554 -0.044 0.000 2.718 345 T HA -0.064 4.138 4.350 -0.247 0.000 0.265 345 T C 1.203 175.896 174.700 -0.012 0.000 1.014 345 T CA 1.086 63.171 62.100 -0.025 0.000 1.172 345 T CB 0.539 69.390 68.868 -0.027 0.000 1.007 345 T HN 0.634 nan 8.240 nan 0.000 0.500 346 S N 2.927 118.628 115.700 0.002 0.000 2.506 346 S HA 0.245 4.567 4.470 -0.247 0.000 0.230 346 S C 0.424 175.039 174.600 0.026 0.000 1.066 346 S CA -0.061 58.147 58.200 0.013 0.000 0.940 346 S CB 0.555 63.767 63.200 0.020 0.000 0.818 346 S HN 0.459 nan 8.310 nan 0.000 0.518 347 V N 2.097 122.032 119.914 0.035 0.000 2.709 347 V HA 0.561 4.533 4.120 -0.247 0.000 0.308 347 V C -1.062 175.066 176.094 0.056 0.000 1.062 347 V CA -0.729 61.602 62.300 0.051 0.000 0.901 347 V CB 1.858 33.721 31.823 0.066 0.000 1.003 347 V HN 0.341 nan 8.190 nan 0.000 0.425 348 I N 3.234 123.851 120.570 0.079 0.000 2.411 348 I HA 0.361 4.382 4.170 -0.247 0.000 0.284 348 I C -0.610 175.585 176.117 0.131 0.000 1.012 348 I CA -0.181 61.182 61.300 0.104 0.000 1.119 348 I CB 1.425 39.510 38.000 0.142 0.000 1.261 348 I HN 0.538 nan 8.210 nan 0.000 0.448 349 C N 4.422 123.784 119.300 0.103 0.000 2.303 349 C HA 0.505 4.816 4.460 -0.247 0.000 0.341 349 C C 0.741 175.794 174.990 0.104 0.000 1.244 349 C CA -0.282 58.792 59.018 0.094 0.000 1.765 349 C CB 0.101 27.881 27.740 0.066 0.000 2.379 349 C HN 0.757 nan 8.230 nan 0.000 0.530 350 S N 2.308 118.067 115.700 0.098 0.000 2.526 350 S HA 0.393 4.714 4.470 -0.247 0.000 0.293 350 S C -0.803 173.820 174.600 0.040 0.000 1.092 350 S CA -0.544 57.718 58.200 0.104 0.000 0.980 350 S CB 0.705 64.014 63.200 0.183 0.000 1.048 350 S HN 0.755 nan 8.310 nan 0.000 0.483 351 D N 2.724 123.151 120.400 0.045 0.000 2.341 351 D HA 0.145 4.637 4.640 -0.247 0.000 0.245 351 D C 0.781 177.083 176.300 0.003 0.000 1.106 351 D CA -0.176 53.838 54.000 0.024 0.000 0.905 351 D CB 1.258 42.074 40.800 0.027 0.000 1.202 351 D HN 0.550 nan 8.370 nan 0.000 0.426 352 K N 0.662 121.055 120.400 -0.010 0.000 1.991 352 K HA -0.037 4.135 4.320 -0.247 0.000 0.208 352 K C 0.208 176.801 176.600 -0.011 0.000 1.038 352 K CA 0.566 56.835 56.287 -0.031 0.000 0.943 352 K CB -0.142 32.340 32.500 -0.031 0.000 0.736 352 K HN 0.324 nan 8.250 nan 0.000 0.440 353 T N 1.000 115.554 114.554 0.001 0.000 2.704 353 T HA 0.099 4.300 4.350 -0.247 0.000 0.271 353 T C 0.750 175.459 174.700 0.015 0.000 1.000 353 T CA 0.897 63.001 62.100 0.007 0.000 1.216 353 T CB 0.101 68.975 68.868 0.010 0.000 0.961 353 T HN 0.663 nan 8.240 nan 0.000 0.515 354 G N 3.339 112.149 108.800 0.017 0.000 2.225 354 G HA2 -0.321 3.491 3.960 -0.247 0.000 0.254 354 G HA3 -0.321 3.491 3.960 -0.247 0.000 0.254 354 G C 0.921 175.842 174.900 0.035 0.000 0.988 354 G CA 0.590 45.705 45.100 0.025 0.000 0.625 354 G HN 0.698 nan 8.290 nan 0.000 0.527 355 T N -0.503 114.075 114.554 0.040 0.000 3.058 355 T HA 0.317 4.519 4.350 -0.247 0.000 0.247 355 T C 1.935 176.687 174.700 0.087 0.000 0.987 355 T CA 1.165 63.311 62.100 0.077 0.000 1.062 355 T CB 0.083 69.007 68.868 0.094 0.000 1.048 355 T HN 0.093 nan 8.240 nan 0.000 0.468 356 L N 1.556 122.783 121.223 0.007 0.000 2.408 356 L HA 0.319 4.510 4.340 -0.247 0.000 0.215 356 L C 1.388 178.236 176.870 -0.037 0.000 1.081 356 L CA 0.811 55.609 54.840 -0.070 0.000 0.840 356 L CB -0.279 41.674 42.059 -0.177 0.000 1.002 356 L HN 0.364 nan 8.230 nan 0.000 0.468 357 T N -5.228 109.315 114.554 -0.018 0.000 2.938 357 T HA 0.365 4.566 4.350 -0.247 0.000 0.285 357 T C 1.158 175.859 174.700 0.001 0.000 1.028 357 T CA 0.169 62.260 62.100 -0.014 0.000 1.005 357 T CB 1.419 70.277 68.868 -0.017 0.000 1.157 357 T HN 0.128 nan 8.240 nan 0.000 0.550 358 T N -1.807 112.743 114.554 -0.006 0.000 3.035 358 T HA 0.123 4.325 4.350 -0.247 0.000 0.259 358 T C 1.087 175.792 174.700 0.007 0.000 1.078 358 T CA 0.889 62.988 62.100 -0.002 0.000 1.132 358 T CB -0.832 68.024 68.868 -0.021 0.000 0.900 358 T HN 0.975 nan 8.240 nan 0.000 0.480 359 N N 0.342 119.046 118.700 0.005 0.000 2.882 359 N HA -0.145 4.447 4.740 -0.247 0.000 0.249 359 N C -1.096 174.441 175.510 0.046 0.000 1.079 359 N CA 0.162 53.229 53.050 0.028 0.000 0.800 359 N CB -0.613 37.898 38.487 0.039 0.000 1.124 359 N HN 0.407 nan 8.380 nan 0.000 0.557 360 Q N 1.153 120.939 119.800 -0.023 0.000 2.563 360 Q HA 0.238 4.430 4.340 -0.247 0.000 0.232 360 Q C -0.196 175.678 176.000 -0.210 0.000 1.106 360 Q CA -0.151 55.562 55.803 -0.150 0.000 0.913 360 Q CB 1.070 29.676 28.738 -0.219 0.000 1.175 360 Q HN 0.335 nan 8.270 nan 0.000 0.540 361 M N 1.816 121.373 119.600 -0.072 0.000 2.248 361 M HA 0.097 4.429 4.480 -0.247 0.000 0.337 361 M C 0.019 176.263 176.300 -0.093 0.000 1.121 361 M CA 0.521 55.811 55.300 -0.016 0.000 1.155 361 M CB 0.745 33.423 32.600 0.129 0.000 1.514 361 M HN 0.493 nan 8.290 nan 0.000 0.452 362 S N 2.811 118.475 115.700 -0.060 0.000 2.543 362 S HA 0.651 4.973 4.470 -0.247 0.000 0.273 362 S C -1.431 173.143 174.600 -0.044 0.000 1.152 362 S CA -1.103 57.058 58.200 -0.066 0.000 0.910 362 S CB 0.951 64.079 63.200 -0.120 0.000 1.105 362 S HN 0.432 nan 8.310 nan 0.000 0.465 363 V N 3.386 123.279 119.914 -0.034 0.000 2.498 363 V HA 0.302 4.273 4.120 -0.247 0.000 0.279 363 V C 1.032 177.082 176.094 -0.073 0.000 1.048 363 V CA -0.353 61.921 62.300 -0.042 0.000 0.967 363 V CB 0.513 32.319 31.823 -0.029 0.000 0.988 363 V HN 1.205 nan 8.190 nan 0.000 0.473 364 C N 2.446 121.679 119.300 -0.113 0.000 3.491 364 C HA 0.528 4.839 4.460 -0.247 0.000 0.298 364 C C 0.475 175.347 174.990 -0.197 0.000 1.424 364 C CA -0.835 58.099 59.018 -0.140 0.000 1.772 364 C CB -1.195 26.454 27.740 -0.151 0.000 2.447 364 C HN 0.798 nan 8.230 nan 0.000 0.670 365 K N 1.316 121.568 120.400 -0.247 0.000 2.556 365 K HA 0.774 4.945 4.320 -0.247 0.000 0.274 365 K C -1.215 175.386 176.600 0.003 0.000 0.966 365 K CA -0.339 55.751 56.287 -0.329 0.000 0.865 365 K CB 2.337 34.114 32.500 -1.206 0.000 1.444 365 K HN 0.446 nan 8.250 nan 0.000 0.433 366 M N 0.316 120.142 119.600 0.377 0.000 2.415 366 M HA 0.511 4.843 4.480 -0.247 0.000 0.292 366 M C -1.820 174.830 176.300 0.584 0.000 1.107 366 M CA -0.995 54.570 55.300 0.441 0.000 0.927 366 M CB 1.219 33.874 32.600 0.092 0.000 1.808 366 M HN 0.533 nan 8.290 nan 0.000 0.509 367 F N 2.346 122.506 119.950 0.349 0.000 2.599 367 F HA 0.974 5.352 4.527 -0.247 0.000 0.311 367 F C -1.287 174.618 175.800 0.176 0.000 1.076 367 F CA -1.046 57.124 58.000 0.283 0.000 0.937 367 F CB 1.351 40.473 39.000 0.202 0.000 1.282 367 F HN 0.803 nan 8.300 nan 0.000 0.460 368 I N 0.159 120.968 120.570 0.399 0.000 3.206 368 I HA 0.597 4.619 4.170 -0.247 0.000 0.313 368 I C -0.996 175.378 176.117 0.428 0.000 1.103 368 I CA -1.384 60.066 61.300 0.250 0.000 0.985 368 I CB 2.108 40.179 38.000 0.118 0.000 1.240 368 I HN 0.468 nan 8.210 nan 0.000 0.464 369 I N 2.048 122.832 120.570 0.356 0.000 2.371 369 I HA 0.096 4.118 4.170 -0.247 0.000 0.290 369 I C 0.489 176.752 176.117 0.244 0.000 1.028 369 I CA 0.460 61.952 61.300 0.321 0.000 1.345 369 I CB 0.845 39.026 38.000 0.301 0.000 1.407 369 I HN 0.811 nan 8.210 nan 0.000 0.501 370 D N 4.918 125.447 120.400 0.215 0.000 2.162 370 D HA -0.048 4.443 4.640 -0.247 0.000 0.205 370 D C 0.057 176.448 176.300 0.152 0.000 0.964 370 D CA 1.309 55.426 54.000 0.195 0.000 0.847 370 D CB 0.503 41.402 40.800 0.165 0.000 0.988 370 D HN 0.643 nan 8.370 nan 0.000 0.480 371 K N -1.725 118.755 120.400 0.133 0.000 2.653 371 K HA 0.449 4.621 4.320 -0.247 0.000 0.274 371 K C -2.043 174.623 176.600 0.110 0.000 0.974 371 K CA -0.857 55.498 56.287 0.112 0.000 0.868 371 K CB 1.266 33.821 32.500 0.091 0.000 1.408 371 K HN -0.206 nan 8.250 nan 0.000 0.397 372 V N 1.570 121.548 119.914 0.106 0.000 2.531 372 V HA 0.591 4.563 4.120 -0.247 0.000 0.301 372 V C -1.436 174.721 176.094 0.104 0.000 1.034 372 V CA -0.302 62.060 62.300 0.103 0.000 0.865 372 V CB 1.718 33.597 31.823 0.093 0.000 0.995 372 V HN 0.916 nan 8.190 nan 0.000 0.424 373 D N 3.308 123.786 120.400 0.130 0.000 2.323 373 D HA 0.562 5.054 4.640 -0.247 0.000 0.242 373 D C 0.521 176.913 176.300 0.154 0.000 1.347 373 D CA 1.098 55.182 54.000 0.141 0.000 0.988 373 D CB 1.216 42.111 40.800 0.158 0.000 1.314 373 D HN 0.900 nan 8.370 nan 0.000 0.564 374 G N 3.712 112.556 108.800 0.073 0.000 2.591 374 G HA2 -0.350 3.462 3.960 -0.247 0.000 0.298 374 G HA3 -0.350 3.462 3.960 -0.247 0.000 0.298 374 G C 0.731 175.589 174.900 -0.070 0.000 1.195 374 G CA 0.435 45.538 45.100 0.005 0.000 0.989 374 G HN 0.527 nan 8.290 nan 0.000 0.551 375 D N 0.612 120.873 120.400 -0.233 0.000 2.355 375 D HA 0.163 4.655 4.640 -0.247 0.000 0.218 375 D C 0.767 176.861 176.300 -0.343 0.000 1.004 375 D CA 0.499 54.307 54.000 -0.319 0.000 0.880 375 D CB 0.007 40.552 40.800 -0.426 0.000 0.911 375 D HN 0.140 nan 8.370 nan 0.000 0.528 376 F N 0.693 120.642 119.950 -0.000 0.000 2.399 376 F HA 0.261 4.639 4.527 -0.247 0.000 0.342 376 F C 0.694 176.497 175.800 0.004 0.000 1.106 376 F CA -0.939 57.061 58.000 0.000 0.000 1.196 376 F CB 1.116 40.118 39.000 0.004 0.000 1.163 376 F HN -0.183 nan 8.300 nan 0.000 0.547 377 C N 2.971 122.392 119.300 0.201 0.000 2.931 377 C HA 0.713 5.025 4.460 -0.247 0.000 0.370 377 C C -0.957 174.082 174.990 0.081 0.000 1.071 377 C CA -0.489 58.596 59.018 0.111 0.000 1.266 377 C CB 0.367 28.140 27.740 0.054 0.000 1.691 377 C HN 0.992 nan 8.230 nan 0.000 0.511 378 S N 6.319 122.065 115.700 0.076 0.000 2.526 378 S HA 0.861 5.182 4.470 -0.247 0.000 0.293 378 S C -1.001 173.642 174.600 0.072 0.000 1.092 378 S CA -0.678 57.555 58.200 0.055 0.000 0.980 378 S CB 1.192 64.425 63.200 0.056 0.000 1.048 378 S HN 0.870 nan 8.310 nan 0.000 0.483 379 L N 1.701 122.948 121.223 0.039 0.000 2.335 379 L HA 0.614 4.806 4.340 -0.247 0.000 0.268 379 L C -0.078 176.859 176.870 0.112 0.000 1.016 379 L CA -1.049 53.844 54.840 0.088 0.000 0.805 379 L CB 1.074 43.088 42.059 -0.075 0.000 1.311 379 L HN 0.723 nan 8.230 nan 0.000 0.456 380 N N 0.444 119.276 118.700 0.221 0.000 2.918 380 N HA 0.118 4.710 4.740 -0.247 0.000 0.270 380 N C -0.746 174.905 175.510 0.235 0.000 1.536 380 N CA -0.251 52.901 53.050 0.170 0.000 0.877 380 N CB 0.579 39.236 38.487 0.284 0.000 1.190 380 N HN 0.490 nan 8.380 nan 0.000 0.492 381 E N 1.069 121.345 120.200 0.127 0.000 2.414 381 E HA 0.118 4.319 4.350 -0.247 0.000 0.263 381 E C -0.742 175.878 176.600 0.032 0.000 1.000 381 E CA 0.392 56.956 56.400 0.275 0.000 0.914 381 E CB 0.489 30.308 29.700 0.199 0.000 0.948 381 E HN 0.223 nan 8.360 nan 0.000 0.444 382 F N 0.721 120.768 119.950 0.162 0.000 2.764 382 F HA 0.517 4.896 4.527 -0.247 0.000 0.347 382 F C 0.024 175.828 175.800 0.006 0.000 1.151 382 F CA -0.696 57.322 58.000 0.030 0.000 1.021 382 F CB 2.059 41.035 39.000 -0.040 0.000 1.438 382 F HN 0.268 nan 8.300 nan 0.000 0.516 383 S N 1.067 116.875 115.700 0.179 0.000 2.564 383 S HA 0.804 5.126 4.470 -0.247 0.000 0.274 383 S C -1.775 172.844 174.600 0.032 0.000 1.124 383 S CA -0.595 57.624 58.200 0.033 0.000 0.869 383 S CB 2.097 65.288 63.200 -0.014 0.000 1.105 383 S HN 0.316 nan 8.310 nan 0.000 0.472 384 I N 2.216 122.771 120.570 -0.024 0.000 2.569 384 I HA 0.411 4.432 4.170 -0.247 0.000 0.290 384 I C 0.167 176.256 176.117 -0.046 0.000 1.088 384 I CA -0.623 60.659 61.300 -0.030 0.000 1.047 384 I CB 1.372 39.345 38.000 -0.046 0.000 1.237 384 I HN 0.732 nan 8.210 nan 0.000 0.421 385 T N 0.321 114.853 114.554 -0.038 0.000 2.943 385 T HA 0.837 5.038 4.350 -0.247 0.000 0.284 385 T C 0.260 174.931 174.700 -0.049 0.000 1.015 385 T CA -0.484 61.590 62.100 -0.043 0.000 1.042 385 T CB 1.916 70.765 68.868 -0.032 0.000 1.055 385 T HN 1.469 nan 8.240 nan 0.000 0.500 386 G N 0.723 109.492 108.800 -0.053 0.000 3.353 386 G HA2 0.144 3.956 3.960 -0.247 0.000 0.682 386 G HA3 0.144 3.956 3.960 -0.247 0.000 0.682 386 G C 0.186 175.039 174.900 -0.078 0.000 1.192 386 G CA -0.102 44.963 45.100 -0.059 0.000 1.111 386 G HN 1.591 nan 8.290 nan 0.000 0.493 387 S N 0.325 115.974 115.700 -0.084 0.000 2.577 387 S HA 0.481 4.802 4.470 -0.247 0.000 0.219 387 S C 1.039 175.536 174.600 -0.172 0.000 0.962 387 S CA 1.063 59.194 58.200 -0.115 0.000 0.921 387 S CB 0.804 63.947 63.200 -0.095 0.000 0.789 387 S HN 1.390 nan 8.310 nan 0.000 0.497 388 T N -0.659 113.805 114.554 -0.150 0.000 2.922 388 T HA 0.491 4.692 4.350 -0.247 0.000 0.281 388 T C 0.171 174.753 174.700 -0.197 0.000 1.005 388 T CA -0.531 61.457 62.100 -0.187 0.000 0.982 388 T CB 0.568 69.406 68.868 -0.050 0.000 1.158 388 T HN 0.156 nan 8.240 nan 0.000 0.566 389 Y N 0.914 121.216 120.300 0.004 0.000 2.519 389 Y HA 0.430 4.832 4.550 -0.247 0.000 0.287 389 Y C 1.753 177.599 175.900 -0.090 0.000 1.128 389 Y CA 0.044 58.136 58.100 -0.012 0.000 1.282 389 Y CB -0.832 37.651 38.460 0.039 0.000 1.027 389 Y HN 0.677 nan 8.280 nan 0.000 0.551 390 A N 2.604 125.429 122.820 0.008 0.000 2.587 390 A HA -0.008 4.163 4.320 -0.247 0.000 0.235 390 A C -1.097 176.270 177.584 -0.361 0.000 1.044 390 A CA -0.661 51.162 52.037 -0.356 0.000 0.754 390 A CB -0.147 18.782 19.000 -0.118 0.000 0.968 390 A HN 0.181 nan 8.150 nan 0.000 0.509 391 P HA -0.079 nan 4.420 nan 0.000 0.234 391 P C -0.024 177.162 177.300 -0.190 0.000 1.167 391 P CA 0.620 63.544 63.100 -0.293 0.000 0.763 391 P CB -0.015 31.508 31.700 -0.295 0.000 0.835 392 E N 0.645 120.731 120.200 -0.191 0.000 2.328 392 E HA 0.404 4.606 4.350 -0.247 0.000 0.265 392 E C 0.914 177.472 176.600 -0.071 0.000 1.057 392 E CA 0.258 56.601 56.400 -0.096 0.000 0.916 392 E CB -0.004 29.664 29.700 -0.055 0.000 0.993 392 E HN 0.222 nan 8.360 nan 0.000 0.446 393 G N 2.687 111.455 108.800 -0.054 0.000 2.327 393 G HA2 0.294 4.106 3.960 -0.247 0.000 0.291 393 G HA3 0.294 4.106 3.960 -0.247 0.000 0.291 393 G C -1.645 173.235 174.900 -0.034 0.000 1.290 393 G CA -0.810 44.264 45.100 -0.043 0.000 0.857 393 G HN 0.504 nan 8.290 nan 0.000 0.520 394 E N -1.740 118.444 120.200 -0.027 0.000 2.407 394 E HA 0.625 4.827 4.350 -0.247 0.000 0.279 394 E C -1.393 175.204 176.600 -0.005 0.000 1.012 394 E CA -1.067 55.324 56.400 -0.015 0.000 0.800 394 E CB 1.984 31.682 29.700 -0.003 0.000 1.276 394 E HN 0.534 nan 8.360 nan 0.000 0.452 395 V N 1.512 121.431 119.914 0.009 0.000 2.716 395 V HA 0.619 4.591 4.120 -0.247 0.000 0.304 395 V C -0.054 176.094 176.094 0.090 0.000 1.053 395 V CA -0.490 61.835 62.300 0.043 0.000 0.984 395 V CB 0.854 32.688 31.823 0.019 0.000 1.021 395 V HN 0.593 nan 8.190 nan 0.000 0.467 396 L N 1.432 122.738 121.223 0.139 0.000 2.518 396 L HA 0.705 4.897 4.340 -0.247 0.000 0.257 396 L C -0.928 175.969 176.870 0.045 0.000 0.980 396 L CA -0.885 54.011 54.840 0.094 0.000 0.837 396 L CB 2.024 44.103 42.059 0.033 0.000 1.410 396 L HN 0.518 nan 8.230 nan 0.000 0.410 397 K N 0.736 121.086 120.400 -0.082 0.000 2.318 397 K HA 0.473 4.644 4.320 -0.247 0.000 0.249 397 K C -0.082 176.432 176.600 -0.144 0.000 0.942 397 K CA -0.569 55.542 56.287 -0.292 0.000 0.808 397 K CB 1.555 33.751 32.500 -0.506 0.000 1.189 397 K HN 0.780 nan 8.250 nan 0.000 0.428 398 N N 2.824 121.442 118.700 -0.137 0.000 2.678 398 N HA -0.280 4.312 4.740 -0.247 0.000 0.249 398 N C -0.634 174.848 175.510 -0.045 0.000 1.119 398 N CA 1.041 54.047 53.050 -0.074 0.000 0.718 398 N CB -0.536 37.914 38.487 -0.062 0.000 1.060 398 N HN 0.929 nan 8.380 nan 0.000 0.552 399 D N -1.969 118.406 120.400 -0.043 0.000 2.792 399 D HA -0.200 4.292 4.640 -0.247 0.000 0.192 399 D C 0.006 176.298 176.300 -0.013 0.000 1.007 399 D CA 1.447 55.432 54.000 -0.024 0.000 1.020 399 D CB -0.534 40.253 40.800 -0.021 0.000 1.089 399 D HN 0.596 nan 8.370 nan 0.000 0.438 400 K N 1.335 121.727 120.400 -0.013 0.000 2.159 400 K HA 0.406 4.577 4.320 -0.247 0.000 0.266 400 K C -2.525 174.086 176.600 0.018 0.000 0.975 400 K CA -1.499 54.790 56.287 0.003 0.000 0.865 400 K CB 1.832 34.334 32.500 0.004 0.000 1.087 400 K HN -0.126 nan 8.250 nan 0.000 0.446 401 P HA 0.042 nan 4.420 nan 0.000 0.271 401 P C -0.600 176.747 177.300 0.078 0.000 1.216 401 P CA -0.207 62.923 63.100 0.051 0.000 0.776 401 P CB 0.615 32.337 31.700 0.036 0.000 0.881 402 I N 0.106 120.748 120.570 0.120 0.000 3.457 402 I HA 0.612 4.633 4.170 -0.247 0.000 0.307 402 I C -0.823 175.393 176.117 0.165 0.000 1.138 402 I CA -1.935 59.472 61.300 0.177 0.000 0.974 402 I CB 1.687 39.871 38.000 0.307 0.000 1.324 402 I HN 0.280 nan 8.210 nan 0.000 0.485 403 R N 1.023 121.644 120.500 0.202 0.000 2.288 403 R HA 0.436 4.628 4.340 -0.247 0.000 0.326 403 R C 0.298 176.713 176.300 0.192 0.000 0.959 403 R CA -0.180 56.003 56.100 0.139 0.000 0.834 403 R CB 1.332 31.690 30.300 0.097 0.000 1.157 403 R HN 0.834 nan 8.270 nan 0.000 0.470 404 S N 2.484 118.228 115.700 0.074 0.000 2.420 404 S HA -0.155 4.167 4.470 -0.247 0.000 0.237 404 S C 1.746 176.374 174.600 0.047 0.000 1.023 404 S CA 1.521 59.717 58.200 -0.006 0.000 0.991 404 S CB 0.001 63.105 63.200 -0.160 0.000 0.792 404 S HN 0.884 nan 8.310 nan 0.000 0.488 405 G N 1.060 109.868 108.800 0.013 0.000 2.432 405 G HA2 -0.214 3.597 3.960 -0.247 0.000 0.219 405 G HA3 -0.214 3.597 3.960 -0.247 0.000 0.219 405 G C 1.201 176.119 174.900 0.029 0.000 1.135 405 G CA 0.413 45.498 45.100 -0.025 0.000 0.767 405 G HN 0.511 nan 8.290 nan 0.000 0.550 406 Q N -0.812 119.033 119.800 0.075 0.000 2.500 406 Q HA 0.068 4.259 4.340 -0.247 0.000 0.213 406 Q C -0.458 175.400 176.000 -0.236 0.000 0.974 406 Q CA 0.263 56.022 55.803 -0.073 0.000 0.918 406 Q CB 0.010 28.673 28.738 -0.124 0.000 0.980 406 Q HN 0.490 nan 8.270 nan 0.000 0.505 407 F N -0.041 119.912 119.950 0.004 0.000 2.427 407 F HA 0.197 4.576 4.527 -0.247 0.000 0.348 407 F C 0.605 176.381 175.800 -0.041 0.000 1.125 407 F CA -1.110 56.899 58.000 0.016 0.000 0.989 407 F CB 1.416 40.453 39.000 0.061 0.000 1.165 407 F HN -0.165 nan 8.300 nan 0.000 0.442 408 D N 2.520 122.983 120.400 0.105 0.000 2.097 408 D HA -0.138 4.353 4.640 -0.247 0.000 0.195 408 D C 2.310 178.625 176.300 0.024 0.000 0.989 408 D CA 1.620 55.646 54.000 0.042 0.000 0.827 408 D CB -0.308 40.514 40.800 0.037 0.000 0.966 408 D HN 0.802 nan 8.370 nan 0.000 0.456 409 G N 1.154 109.993 108.800 0.064 0.000 2.507 409 G HA2 -0.243 3.568 3.960 -0.247 0.000 0.221 409 G HA3 -0.243 3.568 3.960 -0.247 0.000 0.221 409 G C 1.741 176.598 174.900 -0.072 0.000 1.119 409 G CA 0.394 45.501 45.100 0.011 0.000 0.751 409 G HN 0.268 nan 8.290 nan 0.000 0.574 410 L N 0.078 121.255 121.223 -0.077 0.000 2.313 410 L HA 0.008 4.200 4.340 -0.247 0.000 0.214 410 L C 2.824 179.562 176.870 -0.220 0.000 1.119 410 L CA 0.039 54.754 54.840 -0.208 0.000 0.809 410 L CB -0.118 41.761 42.059 -0.299 0.000 0.933 410 L HN 0.121 nan 8.230 nan 0.000 0.449 411 V N -0.124 119.676 119.914 -0.189 0.000 2.323 411 V HA -0.245 3.726 4.120 -0.247 0.000 0.244 411 V C 2.412 178.373 176.094 -0.223 0.000 1.041 411 V CA 1.799 63.930 62.300 -0.282 0.000 1.025 411 V CB -0.238 31.426 31.823 -0.266 0.000 0.656 411 V HN 0.470 nan 8.190 nan 0.000 0.451 412 E N 0.018 120.128 120.200 -0.150 0.000 2.072 412 E HA -0.212 3.989 4.350 -0.247 0.000 0.191 412 E C 2.309 178.783 176.600 -0.209 0.000 0.985 412 E CA 1.101 57.412 56.400 -0.148 0.000 0.801 412 E CB -0.149 29.507 29.700 -0.074 0.000 0.750 412 E HN 0.374 nan 8.360 nan 0.000 0.452 413 L N 1.207 122.310 121.223 -0.200 0.000 2.021 413 L HA -0.211 3.981 4.340 -0.247 0.000 0.215 413 L C 2.257 178.992 176.870 -0.224 0.000 1.074 413 L CA 2.568 57.275 54.840 -0.222 0.000 0.760 413 L CB -1.442 40.476 42.059 -0.235 0.000 0.889 413 L HN 0.240 nan 8.230 nan 0.000 0.433 414 A N -1.596 121.085 122.820 -0.232 0.000 2.066 414 A HA -0.108 4.064 4.320 -0.247 0.000 0.218 414 A C 2.125 179.576 177.584 -0.223 0.000 1.157 414 A CA 1.606 53.511 52.037 -0.219 0.000 0.670 414 A CB -0.721 18.136 19.000 -0.239 0.000 0.804 414 A HN 0.552 nan 8.150 nan 0.000 0.453 415 T N 0.389 114.782 114.554 -0.270 0.000 2.812 415 T HA -0.043 4.158 4.350 -0.247 0.000 0.264 415 T C 1.798 176.207 174.700 -0.484 0.000 1.042 415 T CA 1.366 63.260 62.100 -0.343 0.000 1.140 415 T CB -0.344 68.280 68.868 -0.406 0.000 0.870 415 T HN 0.429 nan 8.240 nan 0.000 0.445 416 I N 0.958 121.237 120.570 -0.486 0.000 2.142 416 I HA -0.200 3.822 4.170 -0.247 0.000 0.240 416 I C 2.597 178.590 176.117 -0.207 0.000 1.078 416 I CA 0.957 62.024 61.300 -0.388 0.000 1.343 416 I CB -0.545 37.327 38.000 -0.215 0.000 1.046 416 I HN 0.304 nan 8.210 nan 0.000 0.405 417 C N 0.771 119.970 119.300 -0.169 0.000 2.410 417 C HA -0.130 4.182 4.460 -0.247 0.000 0.281 417 C C 3.030 177.964 174.990 -0.093 0.000 1.318 417 C CA 0.992 59.945 59.018 -0.108 0.000 1.776 417 C CB -1.369 26.308 27.740 -0.104 0.000 1.942 417 C HN 0.609 nan 8.230 nan 0.000 0.508 418 A N -0.027 122.720 122.820 -0.122 0.000 1.871 418 A HA 0.140 4.311 4.320 -0.247 0.000 0.211 418 A C 2.052 179.593 177.584 -0.072 0.000 1.207 418 A CA 0.776 52.762 52.037 -0.086 0.000 0.620 418 A CB -0.444 18.506 19.000 -0.083 0.000 0.860 418 A HN 0.502 nan 8.150 nan 0.000 0.450 419 L N -0.836 120.319 121.223 -0.114 0.000 2.056 419 L HA -0.107 4.085 4.340 -0.247 0.000 0.207 419 L C 1.608 178.480 176.870 0.005 0.000 1.078 419 L CA 0.608 55.416 54.840 -0.053 0.000 0.749 419 L CB -0.460 41.552 42.059 -0.079 0.000 0.901 419 L HN 0.461 nan 8.230 nan 0.000 0.433 420 C N 2.569 121.868 119.300 -0.001 0.000 3.025 420 C HA 0.283 4.595 4.460 -0.247 0.000 0.547 420 C C 0.209 175.215 174.990 0.026 0.000 1.058 420 C CA -0.382 58.663 59.018 0.044 0.000 1.164 420 C CB -2.380 25.399 27.740 0.065 0.000 1.405 420 C HN 0.380 nan 8.230 nan 0.000 0.610 421 N N 1.434 120.147 118.700 0.022 0.000 2.446 421 N HA 0.236 4.827 4.740 -0.247 0.000 0.272 421 N C -0.984 174.537 175.510 0.018 0.000 1.127 421 N CA -0.235 52.823 53.050 0.013 0.000 0.896 421 N CB 1.740 40.222 38.487 -0.008 0.000 1.658 421 N HN 0.390 nan 8.380 nan 0.000 0.483 422 D N 0.476 120.886 120.400 0.016 0.000 2.501 422 D HA 0.264 4.756 4.640 -0.247 0.000 0.224 422 D C -0.457 175.844 176.300 0.001 0.000 1.202 422 D CA 0.255 54.265 54.000 0.017 0.000 0.829 422 D CB 0.645 41.463 40.800 0.030 0.000 1.023 422 D HN 0.327 nan 8.370 nan 0.000 0.499 423 S N -0.564 115.129 115.700 -0.012 0.000 2.709 423 S HA 0.771 5.093 4.470 -0.247 0.000 0.302 423 S C 0.039 174.621 174.600 -0.031 0.000 1.127 423 S CA -0.635 57.547 58.200 -0.030 0.000 0.905 423 S CB 2.461 65.629 63.200 -0.054 0.000 1.151 423 S HN 0.183 nan 8.310 nan 0.000 0.510 424 S N -0.323 115.352 115.700 -0.041 0.000 2.843 424 S HA 0.794 5.116 4.470 -0.247 0.000 0.301 424 S C -1.662 172.916 174.600 -0.036 0.000 1.206 424 S CA -0.851 57.333 58.200 -0.026 0.000 0.875 424 S CB 0.276 63.474 63.200 -0.004 0.000 1.248 424 S HN 0.526 nan 8.310 nan 0.000 0.555 425 L N 0.596 121.825 121.223 0.011 0.000 2.323 425 L HA 0.796 4.988 4.340 -0.247 0.000 0.265 425 L C -1.612 175.312 176.870 0.091 0.000 1.012 425 L CA -0.572 54.301 54.840 0.054 0.000 0.820 425 L CB 2.009 44.140 42.059 0.120 0.000 1.334 425 L HN 0.927 nan 8.230 nan 0.000 0.427 426 D N 0.324 120.796 120.400 0.120 0.000 2.891 426 D HA 0.243 4.735 4.640 -0.247 0.000 0.224 426 D C -1.559 174.800 176.300 0.099 0.000 1.321 426 D CA -0.350 53.709 54.000 0.098 0.000 0.929 426 D CB 1.338 42.156 40.800 0.030 0.000 1.551 426 D HN 0.191 nan 8.370 nan 0.000 0.574 427 F N 4.185 124.085 119.950 -0.084 0.000 2.421 427 F HA 0.379 4.758 4.527 -0.247 0.000 0.358 427 F C 0.168 175.873 175.800 -0.159 0.000 1.115 427 F CA -0.627 57.215 58.000 -0.264 0.000 1.160 427 F CB 0.578 39.310 39.000 -0.447 0.000 1.123 427 F HN 0.278 nan 8.300 nan 0.000 0.508 428 N N 5.906 124.162 118.700 -0.740 0.000 2.401 428 N HA -0.007 4.585 4.740 -0.247 0.000 0.255 428 N C 0.964 176.086 175.510 -0.648 0.000 1.110 428 N CA 0.050 52.792 53.050 -0.512 0.000 0.949 428 N CB 0.682 38.960 38.487 -0.349 0.000 1.110 428 N HN 0.678 nan 8.380 nan 0.000 0.490 429 E N 2.347 122.364 120.200 -0.306 0.000 2.049 429 E HA -0.170 4.032 4.350 -0.247 0.000 0.198 429 E C 1.188 177.694 176.600 -0.157 0.000 1.007 429 E CA 1.587 57.898 56.400 -0.149 0.000 0.809 429 E CB -0.433 29.247 29.700 -0.034 0.000 0.749 429 E HN 0.636 nan 8.360 nan 0.000 0.450 430 T N 2.022 116.490 114.554 -0.143 0.000 2.520 430 T HA -0.171 4.030 4.350 -0.247 0.000 0.258 430 T C 1.888 176.511 174.700 -0.128 0.000 1.125 430 T CA 1.901 63.938 62.100 -0.105 0.000 1.206 430 T CB -0.317 68.501 68.868 -0.084 0.000 0.864 430 T HN 0.018 nan 8.240 nan 0.000 0.400 431 K N 0.820 121.124 120.400 -0.160 0.000 2.218 431 K HA 0.056 4.227 4.320 -0.247 0.000 0.205 431 K C 1.517 178.009 176.600 -0.181 0.000 1.046 431 K CA 1.003 57.202 56.287 -0.147 0.000 0.933 431 K CB -0.827 31.586 32.500 -0.145 0.000 0.728 431 K HN 0.617 nan 8.250 nan 0.000 0.454 432 G N -0.024 108.570 108.800 -0.344 0.000 2.176 432 G HA2 -0.217 3.594 3.960 -0.247 0.000 0.252 432 G HA3 -0.217 3.594 3.960 -0.247 0.000 0.252 432 G C -0.062 174.648 174.900 -0.316 0.000 1.024 432 G CA 0.305 45.213 45.100 -0.320 0.000 0.755 432 G HN 0.438 nan 8.290 nan 0.000 0.507 433 V N -4.099 115.472 119.914 -0.573 0.000 3.049 433 V HA 0.780 4.752 4.120 -0.247 0.000 0.309 433 V C -0.034 175.909 176.094 -0.252 0.000 1.148 433 V CA -2.544 59.655 62.300 -0.168 0.000 0.990 433 V CB 1.286 33.118 31.823 0.015 0.000 1.039 433 V HN 0.369 nan 8.190 nan 0.000 0.430 434 Y N 1.974 122.370 120.300 0.161 0.000 2.605 434 Y HA 0.393 4.795 4.550 -0.247 0.000 0.336 434 Y C 1.037 177.001 175.900 0.105 0.000 1.111 434 Y CA 0.277 58.491 58.100 0.190 0.000 1.422 434 Y CB 0.233 38.847 38.460 0.257 0.000 1.193 434 Y HN 0.627 nan 8.280 nan 0.000 0.526 435 E N 3.657 123.938 120.200 0.136 0.000 2.222 435 E HA 0.239 4.441 4.350 -0.247 0.000 0.272 435 E C -0.505 176.100 176.600 0.009 0.000 0.982 435 E CA -1.060 55.383 56.400 0.071 0.000 0.842 435 E CB 1.874 31.568 29.700 -0.011 0.000 1.144 435 E HN 0.566 nan 8.360 nan 0.000 0.397 436 K N -0.566 119.765 120.400 -0.116 0.000 2.087 436 K HA 0.471 4.642 4.320 -0.247 0.000 0.255 436 K C -0.773 175.732 176.600 -0.160 0.000 0.988 436 K CA -0.650 55.453 56.287 -0.306 0.000 0.915 436 K CB 1.061 33.144 32.500 -0.695 0.000 1.043 436 K HN 0.161 nan 8.250 nan 0.000 0.457 437 V N 1.976 121.802 119.914 -0.147 0.000 2.439 437 V HA 0.516 4.488 4.120 -0.247 0.000 0.277 437 V C 0.320 176.366 176.094 -0.080 0.000 1.008 437 V CA 0.209 62.459 62.300 -0.083 0.000 0.846 437 V CB -0.007 31.788 31.823 -0.046 0.000 1.031 437 V HN 1.212 nan 8.190 nan 0.000 0.441 438 G N 4.573 113.329 108.800 -0.074 0.000 2.348 438 G HA2 -0.041 3.770 3.960 -0.247 0.000 0.199 438 G HA3 -0.041 3.770 3.960 -0.247 0.000 0.199 438 G C -0.636 174.226 174.900 -0.064 0.000 1.235 438 G CA -0.332 44.733 45.100 -0.057 0.000 1.264 438 G HN 0.657 nan 8.290 nan 0.000 0.543 439 E N 1.178 121.342 120.200 -0.060 0.000 2.313 439 E HA 0.701 4.903 4.350 -0.247 0.000 0.276 439 E C 1.298 177.862 176.600 -0.059 0.000 1.031 439 E CA 0.860 57.229 56.400 -0.052 0.000 0.857 439 E CB 1.252 30.923 29.700 -0.048 0.000 1.040 439 E HN 1.126 nan 8.360 nan 0.000 0.408 440 A N 3.083 125.893 122.820 -0.017 0.000 1.902 440 A HA -0.161 4.011 4.320 -0.247 0.000 0.217 440 A C 1.998 179.633 177.584 0.084 0.000 1.181 440 A CA 2.109 54.180 52.037 0.057 0.000 0.623 440 A CB -0.746 18.332 19.000 0.131 0.000 0.818 440 A HN 0.720 nan 8.150 nan 0.000 0.443 441 T N -0.005 114.572 114.554 0.038 0.000 2.746 441 T HA -0.132 4.069 4.350 -0.247 0.000 0.267 441 T C 1.755 176.469 174.700 0.022 0.000 1.039 441 T CA 1.597 63.717 62.100 0.033 0.000 1.142 441 T CB -0.227 68.640 68.868 -0.002 0.000 0.866 441 T HN 0.621 nan 8.240 nan 0.000 0.444 442 E N 0.585 120.780 120.200 -0.007 0.000 2.072 442 E HA -0.073 4.129 4.350 -0.247 0.000 0.190 442 E C 2.458 179.043 176.600 -0.025 0.000 0.982 442 E CA 1.224 57.614 56.400 -0.016 0.000 0.803 442 E CB -0.196 29.489 29.700 -0.026 0.000 0.755 442 E HN 0.417 nan 8.360 nan 0.000 0.453 443 T N 1.219 115.735 114.554 -0.064 0.000 2.833 443 T HA -0.141 4.061 4.350 -0.247 0.000 0.269 443 T C 2.011 176.716 174.700 0.008 0.000 1.054 443 T CA 1.090 63.117 62.100 -0.121 0.000 1.135 443 T CB -0.180 68.436 68.868 -0.420 0.000 0.869 443 T HN 0.214 nan 8.240 nan 0.000 0.466 444 A N 1.347 124.237 122.820 0.115 0.000 1.940 444 A HA -0.038 4.134 4.320 -0.247 0.000 0.219 444 A C 2.144 179.765 177.584 0.061 0.000 1.176 444 A CA 1.209 53.344 52.037 0.164 0.000 0.631 444 A CB -0.708 18.376 19.000 0.140 0.000 0.814 444 A HN 0.343 nan 8.150 nan 0.000 0.446 445 L N -0.202 121.036 121.223 0.025 0.000 2.093 445 L HA -0.087 4.105 4.340 -0.247 0.000 0.208 445 L C 2.692 179.550 176.870 -0.020 0.000 1.085 445 L CA 2.305 57.140 54.840 -0.008 0.000 0.755 445 L CB -1.370 40.680 42.059 -0.016 0.000 0.904 445 L HN 0.401 nan 8.230 nan 0.000 0.435 446 T N -1.561 112.985 114.554 -0.014 0.000 2.708 446 T HA -0.181 4.021 4.350 -0.247 0.000 0.266 446 T C 1.797 176.488 174.700 -0.016 0.000 1.037 446 T CA 1.925 64.013 62.100 -0.021 0.000 1.146 446 T CB -0.459 68.394 68.868 -0.025 0.000 0.865 446 T HN 0.295 nan 8.240 nan 0.000 0.435 447 T N 2.351 116.912 114.554 0.011 0.000 2.803 447 T HA -0.039 4.162 4.350 -0.247 0.000 0.269 447 T C 1.858 176.542 174.700 -0.027 0.000 1.052 447 T CA 0.700 62.804 62.100 0.007 0.000 1.136 447 T CB -0.424 68.493 68.868 0.081 0.000 0.864 447 T HN 0.099 nan 8.240 nan 0.000 0.467 448 L N 2.348 123.555 121.223 -0.027 0.000 2.005 448 L HA -0.047 4.145 4.340 -0.247 0.000 0.207 448 L C 2.653 179.478 176.870 -0.075 0.000 1.072 448 L CA 1.639 56.447 54.840 -0.053 0.000 0.744 448 L CB -1.007 41.018 42.059 -0.055 0.000 0.895 448 L HN 0.271 nan 8.230 nan 0.000 0.433 449 V N -2.778 117.092 119.914 -0.074 0.000 2.469 449 V HA -0.192 3.779 4.120 -0.247 0.000 0.251 449 V C 2.305 178.355 176.094 -0.073 0.000 1.064 449 V CA 1.795 64.043 62.300 -0.087 0.000 1.066 449 V CB -1.062 30.716 31.823 -0.076 0.000 0.667 449 V HN 0.482 nan 8.190 nan 0.000 0.461 450 E N 0.992 121.157 120.200 -0.059 0.000 2.152 450 E HA -0.112 4.089 4.350 -0.247 0.000 0.192 450 E C 2.191 178.754 176.600 -0.063 0.000 0.983 450 E CA 1.352 57.719 56.400 -0.055 0.000 0.818 450 E CB -0.217 29.447 29.700 -0.060 0.000 0.758 450 E HN 0.720 nan 8.360 nan 0.000 0.467 451 K N -0.139 120.219 120.400 -0.070 0.000 2.186 451 K HA 0.109 4.280 4.320 -0.247 0.000 0.202 451 K C 2.237 178.796 176.600 -0.067 0.000 1.052 451 K CA 0.552 56.800 56.287 -0.066 0.000 0.965 451 K CB 0.026 32.488 32.500 -0.065 0.000 0.746 451 K HN 0.060 nan 8.250 nan 0.000 0.457 452 M N 0.558 120.104 119.600 -0.089 0.000 2.098 452 M HA -0.097 4.235 4.480 -0.247 0.000 0.262 452 M C 0.587 176.826 176.300 -0.102 0.000 1.072 452 M CA 0.682 55.913 55.300 -0.114 0.000 1.133 452 M CB -0.194 32.309 32.600 -0.163 0.000 1.344 452 M HN 0.151 nan 8.290 nan 0.000 0.414 453 N N 1.084 119.725 118.700 -0.098 0.000 2.714 453 N HA -0.126 4.466 4.740 -0.247 0.000 0.253 453 N C 0.450 175.887 175.510 -0.123 0.000 1.024 453 N CA 0.637 53.643 53.050 -0.073 0.000 0.726 453 N CB -0.704 37.764 38.487 -0.031 0.000 0.908 453 N HN 0.363 nan 8.380 nan 0.000 0.542 454 V N -2.858 116.900 119.914 -0.260 0.000 2.944 454 V HA -0.155 3.817 4.120 -0.247 0.000 0.265 454 V C 1.480 177.265 176.094 -0.515 0.000 1.125 454 V CA 1.674 63.718 62.300 -0.428 0.000 1.145 454 V CB -0.855 30.582 31.823 -0.642 0.000 0.725 454 V HN 0.271 nan 8.190 nan 0.000 0.510 455 F N 0.976 120.913 119.950 -0.022 0.000 2.654 455 F HA 0.439 4.818 4.527 -0.247 0.000 0.303 455 F C 1.026 176.819 175.800 -0.011 0.000 1.099 455 F CA -1.150 56.840 58.000 -0.017 0.000 1.270 455 F CB -1.305 37.682 39.000 -0.022 0.000 1.024 455 F HN 0.240 nan 8.300 nan 0.000 0.548 456 N N 0.079 118.842 118.700 0.106 0.000 2.716 456 N HA -0.192 4.400 4.740 -0.247 0.000 0.250 456 N C -0.242 175.314 175.510 0.076 0.000 1.033 456 N CA 0.755 53.847 53.050 0.071 0.000 0.727 456 N CB -1.211 37.314 38.487 0.063 0.000 0.950 456 N HN 0.085 nan 8.380 nan 0.000 0.541 457 T N 0.744 115.352 114.554 0.089 0.000 2.926 457 T HA 0.014 4.216 4.350 -0.247 0.000 0.307 457 T C 0.602 175.325 174.700 0.037 0.000 1.059 457 T CA -0.119 62.020 62.100 0.066 0.000 1.122 457 T CB 0.686 69.597 68.868 0.073 0.000 0.972 457 T HN 0.018 nan 8.240 nan 0.000 0.545 458 E N 2.889 123.104 120.200 0.025 0.000 1.858 458 E HA 0.125 4.326 4.350 -0.247 0.000 0.267 458 E C 1.045 177.652 176.600 0.012 0.000 1.215 458 E CA -0.067 56.343 56.400 0.016 0.000 0.952 458 E CB 0.365 30.072 29.700 0.011 0.000 1.058 458 E HN 0.541 nan 8.360 nan 0.000 0.407 459 V N 1.222 121.142 119.914 0.010 0.000 3.660 459 V HA 0.090 4.062 4.120 -0.247 0.000 0.276 459 V C 1.512 177.607 176.094 0.001 0.000 1.317 459 V CA 0.196 62.500 62.300 0.006 0.000 1.097 459 V CB -0.298 31.528 31.823 0.005 0.000 0.863 459 V HN 0.412 nan 8.190 nan 0.000 0.438 460 R N 0.247 120.747 120.500 0.000 0.000 2.335 460 R HA 0.271 4.463 4.340 -0.247 0.000 0.223 460 R C 0.927 177.225 176.300 -0.004 0.000 0.940 460 R CA 1.047 57.145 56.100 -0.003 0.000 1.086 460 R CB -0.849 29.450 30.300 -0.001 0.000 1.073 460 R HN 0.614 nan 8.270 nan 0.000 0.504 461 N N -0.137 118.561 118.700 -0.003 0.000 2.348 461 N HA 0.171 4.763 4.740 -0.247 0.000 0.183 461 N C -0.217 175.288 175.510 -0.008 0.000 1.094 461 N CA -0.338 52.709 53.050 -0.005 0.000 0.885 461 N CB 0.439 38.925 38.487 -0.002 0.000 1.065 461 N HN 0.046 nan 8.380 nan 0.000 0.472 462 L N 1.043 122.261 121.223 -0.008 0.000 2.421 462 L HA 0.244 4.436 4.340 -0.247 0.000 0.263 462 L C 1.168 178.022 176.870 -0.028 0.000 1.122 462 L CA -0.583 54.250 54.840 -0.012 0.000 0.804 462 L CB 1.104 43.160 42.059 -0.003 0.000 1.150 462 L HN 0.127 nan 8.230 nan 0.000 0.457 463 S N 0.933 116.607 115.700 -0.043 0.000 2.484 463 S HA 0.154 4.475 4.470 -0.247 0.000 0.256 463 S C 0.937 175.457 174.600 -0.134 0.000 1.223 463 S CA -0.287 57.861 58.200 -0.087 0.000 1.002 463 S CB 0.529 63.675 63.200 -0.090 0.000 1.043 463 S HN 0.502 nan 8.310 nan 0.000 0.517 464 K N -0.084 120.134 120.400 -0.303 0.000 2.021 464 K HA 0.220 4.392 4.320 -0.247 0.000 0.205 464 K C 1.884 178.269 176.600 -0.359 0.000 1.047 464 K CA 1.270 57.220 56.287 -0.561 0.000 0.943 464 K CB -1.042 30.481 32.500 -1.628 0.000 0.725 464 K HN 0.424 nan 8.250 nan 0.000 0.439 465 V N 1.354 121.116 119.914 -0.253 0.000 3.141 465 V HA -0.115 3.857 4.120 -0.247 0.000 0.265 465 V C 1.398 177.509 176.094 0.029 0.000 1.126 465 V CA 1.441 63.740 62.300 -0.001 0.000 1.141 465 V CB -0.495 31.369 31.823 0.069 0.000 0.743 465 V HN 0.308 nan 8.190 nan 0.000 0.492 466 E N 0.799 120.997 120.200 -0.002 0.000 2.251 466 E HA -0.051 4.151 4.350 -0.247 0.000 0.194 466 E C 2.183 178.802 176.600 0.033 0.000 0.964 466 E CA 0.417 56.826 56.400 0.016 0.000 0.868 466 E CB 0.055 29.753 29.700 -0.002 0.000 0.828 466 E HN 0.651 nan 8.360 nan 0.000 0.481 467 R N 0.784 121.309 120.500 0.043 0.000 2.317 467 R HA 0.278 4.470 4.340 -0.247 0.000 0.208 467 R C 1.834 178.186 176.300 0.087 0.000 0.914 467 R CA 0.782 56.912 56.100 0.050 0.000 1.060 467 R CB 0.040 30.358 30.300 0.031 0.000 1.015 467 R HN 0.007 nan 8.270 nan 0.000 0.498 468 A N 2.043 124.965 122.820 0.170 0.000 1.849 468 A HA -0.166 4.006 4.320 -0.247 0.000 0.217 468 A C 1.352 178.995 177.584 0.099 0.000 1.202 468 A CA 1.638 53.813 52.037 0.230 0.000 0.629 468 A CB -0.510 18.674 19.000 0.307 0.000 0.834 468 A HN 0.524 nan 8.150 nan 0.000 0.447 469 N N -0.481 118.266 118.700 0.078 0.000 2.321 469 N HA 0.370 4.962 4.740 -0.247 0.000 0.242 469 N C 1.166 176.695 175.510 0.031 0.000 1.141 469 N CA 0.653 53.730 53.050 0.044 0.000 0.864 469 N CB 0.502 39.014 38.487 0.041 0.000 1.100 469 N HN 0.480 nan 8.380 nan 0.000 0.510 470 A N 0.645 123.483 122.820 0.031 0.000 1.834 470 A HA -0.169 4.003 4.320 -0.247 0.000 0.216 470 A C 2.350 179.950 177.584 0.027 0.000 1.203 470 A CA 1.262 53.314 52.037 0.025 0.000 0.621 470 A CB -0.985 18.029 19.000 0.022 0.000 0.841 470 A HN 0.454 nan 8.150 nan 0.000 0.446 471 C N -0.099 119.215 119.300 0.024 0.000 2.403 471 C HA -0.104 4.207 4.460 -0.247 0.000 0.282 471 C C 2.702 177.715 174.990 0.039 0.000 1.297 471 C CA 1.030 60.070 59.018 0.037 0.000 1.785 471 C CB -1.685 26.061 27.740 0.009 0.000 1.963 471 C HN 0.601 nan 8.230 nan 0.000 0.507 472 N N 0.901 119.612 118.700 0.017 0.000 2.092 472 N HA -0.089 4.503 4.740 -0.247 0.000 0.189 472 N C 1.907 177.428 175.510 0.019 0.000 1.040 472 N CA 1.479 54.534 53.050 0.009 0.000 0.845 472 N CB -0.499 37.988 38.487 0.000 0.000 1.017 472 N HN 0.412 nan 8.380 nan 0.000 0.426 473 S N 0.946 116.657 115.700 0.018 0.000 2.407 473 S HA -0.110 4.211 4.470 -0.247 0.000 0.235 473 S C 2.250 176.858 174.600 0.013 0.000 1.036 473 S CA 0.924 59.133 58.200 0.015 0.000 1.013 473 S CB -0.389 62.820 63.200 0.015 0.000 0.820 473 S HN 0.115 nan 8.310 nan 0.000 0.476 474 V N 1.879 121.809 119.914 0.027 0.000 2.307 474 V HA -0.145 3.827 4.120 -0.247 0.000 0.245 474 V C 2.038 178.144 176.094 0.019 0.000 1.045 474 V CA 1.557 63.869 62.300 0.020 0.000 1.024 474 V CB -0.622 31.244 31.823 0.072 0.000 0.651 474 V HN 0.484 nan 8.190 nan 0.000 0.449 475 I N -0.424 120.190 120.570 0.074 0.000 2.394 475 I HA -0.182 3.839 4.170 -0.247 0.000 0.251 475 I C 2.487 178.614 176.117 0.016 0.000 1.136 475 I CA 1.241 62.587 61.300 0.077 0.000 1.425 475 I CB -0.428 37.609 38.000 0.062 0.000 1.079 475 I HN 0.213 nan 8.210 nan 0.000 0.425 476 R N 0.584 121.088 120.500 0.008 0.000 2.357 476 R HA -0.092 4.100 4.340 -0.247 0.000 0.202 476 R C 1.661 177.962 176.300 0.002 0.000 1.047 476 R CA 0.563 56.666 56.100 0.005 0.000 1.034 476 R CB 0.021 30.325 30.300 0.007 0.000 0.875 476 R HN 0.447 nan 8.270 nan 0.000 0.473 477 Q N -0.503 119.290 119.800 -0.012 0.000 2.392 477 Q HA 0.066 4.257 4.340 -0.247 0.000 0.219 477 Q C 1.623 177.605 176.000 -0.030 0.000 0.895 477 Q CA 0.513 56.302 55.803 -0.024 0.000 0.929 477 Q CB 0.323 29.035 28.738 -0.042 0.000 1.077 477 Q HN 0.204 nan 8.270 nan 0.000 0.532 478 L N -0.577 120.626 121.223 -0.032 0.000 2.240 478 L HA 0.077 4.269 4.340 -0.247 0.000 0.211 478 L C 0.581 177.460 176.870 0.016 0.000 1.106 478 L CA 1.149 55.973 54.840 -0.027 0.000 0.793 478 L CB 0.037 42.077 42.059 -0.031 0.000 0.927 478 L HN 0.097 nan 8.230 nan 0.000 0.446 479 M N -0.582 119.039 119.600 0.035 0.000 2.457 479 M HA 0.298 4.630 4.480 -0.247 0.000 0.300 479 M C -0.583 175.748 176.300 0.053 0.000 1.141 479 M CA -0.568 54.773 55.300 0.067 0.000 0.901 479 M CB 2.182 34.872 32.600 0.150 0.000 1.687 479 M HN -0.139 nan 8.290 nan 0.000 0.449 480 K N 2.491 122.921 120.400 0.050 0.000 2.253 480 K HA 0.255 4.427 4.320 -0.247 0.000 0.277 480 K C -0.364 176.267 176.600 0.051 0.000 1.053 480 K CA -0.319 55.994 56.287 0.045 0.000 0.892 480 K CB 1.054 33.579 32.500 0.042 0.000 1.102 480 K HN 0.621 nan 8.250 nan 0.000 0.469 481 K N 5.335 125.763 120.400 0.047 0.000 2.220 481 K HA 0.001 4.173 4.320 -0.247 0.000 0.283 481 K C 0.463 177.084 176.600 0.036 0.000 1.098 481 K CA -0.161 56.147 56.287 0.035 0.000 0.928 481 K CB 0.596 33.119 32.500 0.037 0.000 1.214 481 K HN 0.644 nan 8.250 nan 0.000 0.442 482 E N 3.001 123.215 120.200 0.024 0.000 2.012 482 E HA -0.139 4.063 4.350 -0.247 0.000 0.197 482 E C 0.373 177.079 176.600 0.177 0.000 1.007 482 E CA 1.550 58.005 56.400 0.091 0.000 0.816 482 E CB -0.097 29.664 29.700 0.101 0.000 0.762 482 E HN 0.579 nan 8.360 nan 0.000 0.451 483 F N -2.190 117.780 119.950 0.034 0.000 2.741 483 F HA 0.492 4.871 4.527 -0.247 0.000 0.313 483 F C -0.627 175.186 175.800 0.022 0.000 1.153 483 F CA -1.198 56.805 58.000 0.006 0.000 0.931 483 F CB 1.544 40.513 39.000 -0.052 0.000 1.335 483 F HN -0.235 nan 8.300 nan 0.000 0.460 484 T N 0.785 115.472 114.554 0.223 0.000 2.861 484 T HA 0.668 4.869 4.350 -0.247 0.000 0.287 484 T C -1.305 173.471 174.700 0.127 0.000 1.003 484 T CA -0.741 61.420 62.100 0.102 0.000 0.977 484 T CB 1.282 70.201 68.868 0.085 0.000 0.996 484 T HN 0.837 nan 8.240 nan 0.000 0.448 485 L N 4.026 125.243 121.223 -0.011 0.000 2.288 485 L HA 0.397 4.588 4.340 -0.247 0.000 0.283 485 L C 0.346 177.245 176.870 0.048 0.000 1.072 485 L CA -1.041 53.645 54.840 -0.257 0.000 0.862 485 L CB 0.185 41.902 42.059 -0.569 0.000 1.245 485 L HN 0.728 nan 8.230 nan 0.000 0.432 486 E N 1.599 121.941 120.200 0.237 0.000 2.485 486 E HA -0.063 4.138 4.350 -0.247 0.000 0.266 486 E C -0.397 176.412 176.600 0.348 0.000 1.137 486 E CA -0.012 56.572 56.400 0.307 0.000 1.010 486 E CB 0.294 30.197 29.700 0.338 0.000 0.986 486 E HN 0.292 nan 8.360 nan 0.000 0.460 487 F N 1.108 121.164 119.950 0.176 0.000 2.418 487 F HA 0.327 4.706 4.527 -0.247 0.000 0.341 487 F C -0.080 175.814 175.800 0.155 0.000 1.120 487 F CA -0.162 57.929 58.000 0.152 0.000 1.232 487 F CB 0.668 39.733 39.000 0.108 0.000 1.175 487 F HN 0.384 nan 8.300 nan 0.000 0.569 488 S N 5.117 120.583 115.700 -0.389 0.000 2.614 488 S HA 0.397 4.719 4.470 -0.247 0.000 0.275 488 S C 0.291 174.668 174.600 -0.371 0.000 1.161 488 S CA -1.054 57.074 58.200 -0.121 0.000 0.969 488 S CB 1.755 64.939 63.200 -0.027 0.000 1.059 488 S HN 0.832 nan 8.310 nan 0.000 0.482 489 R N 1.204 121.711 120.500 0.012 0.000 2.226 489 R HA -0.202 3.989 4.340 -0.247 0.000 0.246 489 R C 1.666 177.940 176.300 -0.044 0.000 1.161 489 R CA 2.060 58.203 56.100 0.071 0.000 0.997 489 R CB -0.460 29.940 30.300 0.167 0.000 0.870 489 R HN 0.903 nan 8.270 nan 0.000 0.465 490 D N 0.858 121.214 120.400 -0.073 0.000 2.088 490 D HA -0.224 4.268 4.640 -0.247 0.000 0.191 490 D C 1.796 178.041 176.300 -0.092 0.000 0.992 490 D CA 1.805 55.766 54.000 -0.065 0.000 0.831 490 D CB 0.033 40.793 40.800 -0.066 0.000 0.973 490 D HN 0.324 nan 8.370 nan 0.000 0.447 491 R N -0.604 119.804 120.500 -0.154 0.000 2.334 491 R HA 0.185 4.377 4.340 -0.247 0.000 0.212 491 R C 0.160 176.341 176.300 -0.198 0.000 0.897 491 R CA -0.106 55.915 56.100 -0.132 0.000 1.056 491 R CB -0.102 30.145 30.300 -0.089 0.000 1.046 491 R HN -0.047 nan 8.270 nan 0.000 0.513 492 K N 1.808 121.963 120.400 -0.409 0.000 3.257 492 K HA -0.202 3.970 4.320 -0.247 0.000 0.270 492 K C -0.785 175.627 176.600 -0.314 0.000 0.984 492 K CA 1.047 57.042 56.287 -0.486 0.000 0.739 492 K CB -1.571 30.919 32.500 -0.017 0.000 1.351 492 K HN 0.705 nan 8.250 nan 0.000 0.463 493 S N -1.017 114.372 115.700 -0.518 0.000 2.636 493 S HA 0.769 5.090 4.470 -0.247 0.000 0.266 493 S C -0.946 173.668 174.600 0.024 0.000 1.147 493 S CA -0.788 57.388 58.200 -0.040 0.000 0.815 493 S CB 2.444 65.657 63.200 0.022 0.000 1.119 493 S HN 0.503 nan 8.310 nan 0.000 0.470 494 M N 0.636 120.333 119.600 0.162 0.000 2.520 494 M HA 0.813 5.145 4.480 -0.247 0.000 0.280 494 M C -1.331 175.039 176.300 0.117 0.000 1.232 494 M CA -0.364 55.038 55.300 0.170 0.000 0.892 494 M CB 1.988 34.747 32.600 0.265 0.000 1.728 494 M HN 1.272 nan 8.290 nan 0.000 0.475 495 S N 1.234 116.979 115.700 0.076 0.000 2.651 495 S HA 0.937 5.259 4.470 -0.247 0.000 0.279 495 S C -0.963 173.638 174.600 0.001 0.000 1.148 495 S CA -0.322 57.904 58.200 0.044 0.000 0.837 495 S CB 1.896 65.108 63.200 0.020 0.000 1.138 495 S HN 1.656 nan 8.310 nan 0.000 0.478 496 V N -0.586 119.315 119.914 -0.022 0.000 2.577 496 V HA 0.643 4.615 4.120 -0.247 0.000 0.303 496 V C -1.261 174.696 176.094 -0.227 0.000 1.042 496 V CA -0.894 61.354 62.300 -0.087 0.000 0.872 496 V CB 0.859 32.698 31.823 0.027 0.000 0.998 496 V HN 0.965 nan 8.190 nan 0.000 0.423 497 Y N 3.597 123.523 120.300 -0.623 0.000 2.359 497 Y HA 0.668 5.070 4.550 -0.247 0.000 0.334 497 Y C 0.095 175.710 175.900 -0.474 0.000 1.058 497 Y CA -0.115 57.554 58.100 -0.719 0.000 1.244 497 Y CB 0.962 38.563 38.460 -1.431 0.000 1.187 497 Y HN 0.972 nan 8.280 nan 0.000 0.510 498 C N 4.065 123.130 119.300 -0.393 0.000 2.698 498 C HA 0.675 4.987 4.460 -0.247 0.000 0.309 498 C C -0.665 174.243 174.990 -0.137 0.000 1.186 498 C CA -1.036 57.899 59.018 -0.138 0.000 1.474 498 C CB 0.946 28.693 27.740 0.012 0.000 2.020 498 C HN 0.885 nan 8.230 nan 0.000 0.474 499 S N 2.460 118.162 115.700 0.005 0.000 2.503 499 S HA 0.754 5.075 4.470 -0.247 0.000 0.301 499 S C -2.876 171.735 174.600 0.019 0.000 1.087 499 S CA -1.150 57.060 58.200 0.016 0.000 1.042 499 S CB 1.485 64.731 63.200 0.077 0.000 1.043 499 S HN 0.639 nan 8.310 nan 0.000 0.489 500 P HA 0.074 nan 4.420 nan 0.000 0.267 500 P C 0.642 177.951 177.300 0.015 0.000 1.195 500 P CA 0.029 63.137 63.100 0.013 0.000 0.773 500 P CB 0.449 32.151 31.700 0.004 0.000 0.837 501 A N 3.330 126.155 122.820 0.010 0.000 1.838 501 A HA -0.076 4.095 4.320 -0.247 0.000 0.215 501 A C 1.239 178.823 177.584 0.001 0.000 1.273 501 A CA 1.264 53.304 52.037 0.005 0.000 0.602 501 A CB -0.982 18.014 19.000 -0.006 0.000 0.934 501 A HN 0.477 nan 8.150 nan 0.000 0.461 502 K N 1.472 121.868 120.400 -0.007 0.000 2.054 502 K HA 0.335 4.506 4.320 -0.247 0.000 0.242 502 K C -0.970 175.628 176.600 -0.004 0.000 1.157 502 K CA 0.411 56.694 56.287 -0.008 0.000 1.079 502 K CB -0.939 31.552 32.500 -0.015 0.000 1.331 502 K HN 0.272 nan 8.250 nan 0.000 0.317 503 S N 0.855 116.555 115.700 0.001 0.000 2.588 503 S HA 0.712 5.033 4.470 -0.247 0.000 0.269 503 S C -1.912 172.691 174.600 0.006 0.000 1.157 503 S CA -0.689 57.513 58.200 0.003 0.000 0.824 503 S CB 1.683 64.886 63.200 0.006 0.000 1.126 503 S HN 0.601 nan 8.310 nan 0.000 0.464 504 S N 1.379 117.083 115.700 0.006 0.000 2.582 504 S HA 0.538 4.860 4.470 -0.247 0.000 0.296 504 S C -0.704 173.900 174.600 0.007 0.000 1.118 504 S CA -0.877 57.327 58.200 0.007 0.000 0.947 504 S CB 1.025 64.228 63.200 0.005 0.000 1.131 504 S HN 0.713 nan 8.310 nan 0.000 0.453 505 R N -0.610 119.896 120.500 0.009 0.000 3.651 505 R HA -0.139 4.052 4.340 -0.247 0.000 0.292 505 R C 0.303 176.607 176.300 0.008 0.000 1.161 505 R CA 1.097 57.201 56.100 0.008 0.000 0.787 505 R CB -2.483 27.820 30.300 0.005 0.000 1.249 505 R HN 1.391 nan 8.270 nan 0.000 0.476 506 A N -0.298 122.528 122.820 0.010 0.000 2.295 506 A HA 0.771 4.943 4.320 -0.247 0.000 0.318 506 A C 1.025 178.617 177.584 0.013 0.000 1.134 506 A CA 0.253 52.295 52.037 0.009 0.000 0.827 506 A CB 1.182 20.186 19.000 0.007 0.000 1.136 506 A HN 0.351 nan 8.150 nan 0.000 0.493 507 A N 1.048 123.875 122.820 0.011 0.000 2.430 507 A HA 0.545 4.717 4.320 -0.247 0.000 0.243 507 A C 0.110 177.702 177.584 0.013 0.000 1.254 507 A CA 0.197 52.243 52.037 0.014 0.000 0.914 507 A CB -0.156 18.850 19.000 0.011 0.000 0.998 507 A HN 0.919 nan 8.150 nan 0.000 0.515 508 V N -2.790 117.128 119.914 0.007 0.000 3.147 508 V HA 0.763 4.734 4.120 -0.247 0.000 0.306 508 V C 0.888 176.975 176.094 -0.012 0.000 1.209 508 V CA -0.013 62.284 62.300 -0.004 0.000 1.023 508 V CB 1.415 33.232 31.823 -0.010 0.000 1.059 508 V HN 0.841 nan 8.190 nan 0.000 0.435 509 G N 1.913 110.694 108.800 -0.033 0.000 2.480 509 G HA2 -0.171 3.641 3.960 -0.247 0.000 0.193 509 G HA3 -0.171 3.641 3.960 -0.247 0.000 0.193 509 G C 0.091 174.938 174.900 -0.088 0.000 1.004 509 G CA -0.014 45.059 45.100 -0.045 0.000 0.696 509 G HN 0.679 nan 8.290 nan 0.000 0.478 510 N N 1.427 120.064 118.700 -0.105 0.000 2.395 510 N HA 0.382 4.974 4.740 -0.247 0.000 0.246 510 N C -0.383 174.881 175.510 -0.410 0.000 1.246 510 N CA 0.624 53.530 53.050 -0.239 0.000 0.879 510 N CB 0.358 38.728 38.487 -0.194 0.000 1.098 510 N HN 0.118 nan 8.380 nan 0.000 0.444 511 K N 2.124 122.153 120.400 -0.618 0.000 2.469 511 K HA 0.412 4.584 4.320 -0.247 0.000 0.254 511 K C -0.990 174.973 176.600 -1.062 0.000 0.939 511 K CA -0.504 55.326 56.287 -0.763 0.000 0.812 511 K CB 2.377 34.426 32.500 -0.752 0.000 1.301 511 K HN 0.454 nan 8.250 nan 0.000 0.433 512 M N 2.540 121.600 119.600 -0.901 0.000 2.243 512 M HA 0.411 4.743 4.480 -0.247 0.000 0.324 512 M C -1.273 174.653 176.300 -0.624 0.000 1.031 512 M CA -0.756 54.113 55.300 -0.717 0.000 0.949 512 M CB 0.902 33.263 32.600 -0.398 0.000 1.615 512 M HN 0.338 nan 8.290 nan 0.000 0.430 513 F N 3.086 122.959 119.950 -0.128 0.000 2.388 513 F HA 0.570 4.949 4.527 -0.247 0.000 0.358 513 F C -0.135 175.634 175.800 -0.052 0.000 1.122 513 F CA -0.954 56.995 58.000 -0.085 0.000 1.056 513 F CB 0.914 39.863 39.000 -0.084 0.000 1.155 513 F HN 0.130 nan 8.300 nan 0.000 0.461 514 V N 3.237 123.232 119.914 0.135 0.000 2.667 514 V HA 0.597 4.569 4.120 -0.247 0.000 0.308 514 V C -0.379 175.769 176.094 0.089 0.000 1.048 514 V CA -1.148 61.209 62.300 0.095 0.000 0.928 514 V CB 2.090 33.958 31.823 0.076 0.000 1.004 514 V HN 0.695 nan 8.190 nan 0.000 0.444 515 K N 1.370 121.829 120.400 0.099 0.000 2.498 515 K HA 0.761 4.932 4.320 -0.247 0.000 0.254 515 K C -0.483 176.205 176.600 0.147 0.000 0.933 515 K CA 0.012 56.359 56.287 0.101 0.000 0.806 515 K CB 2.307 34.862 32.500 0.091 0.000 1.301 515 K HN 1.090 nan 8.250 nan 0.000 0.432 516 G N 0.972 109.860 108.800 0.147 0.000 2.315 516 G HA2 0.424 4.236 3.960 -0.247 0.000 0.294 516 G HA3 0.424 4.236 3.960 -0.247 0.000 0.294 516 G C -1.589 173.411 174.900 0.167 0.000 1.300 516 G CA -0.429 44.789 45.100 0.197 0.000 0.843 516 G HN 0.679 nan 8.290 nan 0.000 0.527 517 A N 0.416 123.346 122.820 0.183 0.000 2.511 517 A HA 0.581 4.753 4.320 -0.247 0.000 0.242 517 A C -0.674 176.979 177.584 0.114 0.000 1.069 517 A CA 0.145 52.270 52.037 0.146 0.000 0.763 517 A CB 0.067 19.155 19.000 0.147 0.000 1.001 517 A HN 0.374 nan 8.150 nan 0.000 0.498 518 P HA -0.219 nan 4.420 nan 0.000 0.215 518 P C 1.426 178.766 177.300 0.067 0.000 1.157 518 P CA 1.658 64.814 63.100 0.095 0.000 0.874 518 P CB 0.192 31.945 31.700 0.090 0.000 0.790 519 E N -0.635 119.598 120.200 0.055 0.000 2.013 519 E HA -0.196 4.006 4.350 -0.247 0.000 0.202 519 E C 2.236 178.856 176.600 0.032 0.000 1.018 519 E CA 1.801 58.222 56.400 0.035 0.000 0.834 519 E CB -1.061 28.660 29.700 0.034 0.000 0.770 519 E HN 0.151 nan 8.360 nan 0.000 0.459 520 G N 0.274 109.096 108.800 0.037 0.000 2.421 520 G HA2 -0.239 3.573 3.960 -0.247 0.000 0.216 520 G HA3 -0.239 3.573 3.960 -0.247 0.000 0.216 520 G C 1.696 176.621 174.900 0.042 0.000 1.171 520 G CA 1.018 46.136 45.100 0.030 0.000 0.775 520 G HN 0.265 nan 8.290 nan 0.000 0.543 521 V N 1.137 121.089 119.914 0.062 0.000 2.332 521 V HA -0.175 3.797 4.120 -0.247 0.000 0.248 521 V C 2.788 178.939 176.094 0.095 0.000 1.055 521 V CA 1.641 63.991 62.300 0.084 0.000 1.038 521 V CB -0.345 31.543 31.823 0.108 0.000 0.651 521 V HN 0.405 nan 8.190 nan 0.000 0.450 522 I N -0.258 120.363 120.570 0.084 0.000 2.315 522 I HA -0.187 3.835 4.170 -0.247 0.000 0.248 522 I C 2.214 178.344 176.117 0.021 0.000 1.117 522 I CA 1.340 62.674 61.300 0.056 0.000 1.404 522 I CB -0.488 37.504 38.000 -0.014 0.000 1.071 522 I HN 0.298 nan 8.210 nan 0.000 0.419 523 D N 1.049 121.458 120.400 0.014 0.000 2.221 523 D HA -0.143 4.349 4.640 -0.247 0.000 0.204 523 D C 1.911 178.213 176.300 0.004 0.000 0.982 523 D CA 1.082 55.082 54.000 -0.000 0.000 0.857 523 D CB -0.109 40.691 40.800 0.000 0.000 0.934 523 D HN 0.380 nan 8.370 nan 0.000 0.475 524 R N -0.573 119.942 120.500 0.024 0.000 2.359 524 R HA 0.171 4.363 4.340 -0.247 0.000 0.231 524 R C 0.120 176.442 176.300 0.037 0.000 0.913 524 R CA -0.186 55.930 56.100 0.027 0.000 1.075 524 R CB 0.321 30.645 30.300 0.039 0.000 1.087 524 R HN 0.032 nan 8.270 nan 0.000 0.515 525 C N 1.521 120.846 119.300 0.042 0.000 2.347 525 C HA 0.261 4.573 4.460 -0.247 0.000 0.353 525 C C 1.156 176.128 174.990 -0.030 0.000 1.273 525 C CA -0.714 58.342 59.018 0.063 0.000 1.861 525 C CB 0.561 28.381 27.740 0.132 0.000 2.420 525 C HN 0.466 nan 8.230 nan 0.000 0.542 526 N N 0.732 119.357 118.700 -0.125 0.000 2.220 526 N HA 0.164 4.756 4.740 -0.247 0.000 0.195 526 N C -0.804 174.318 175.510 -0.646 0.000 1.123 526 N CA 0.422 53.218 53.050 -0.423 0.000 0.874 526 N CB 0.413 38.517 38.487 -0.638 0.000 0.995 526 N HN 0.707 nan 8.380 nan 0.000 0.498 527 Y N -1.033 119.305 120.300 0.062 0.000 2.609 527 Y HA 0.587 4.989 4.550 -0.247 0.000 0.342 527 Y C -0.156 175.813 175.900 0.115 0.000 1.058 527 Y CA -1.033 57.110 58.100 0.071 0.000 1.055 527 Y CB 1.563 40.058 38.460 0.058 0.000 1.292 527 Y HN -0.423 nan 8.280 nan 0.000 0.476 528 V N 1.555 121.645 119.914 0.293 0.000 2.735 528 V HA 0.549 4.521 4.120 -0.247 0.000 0.310 528 V C -0.704 175.527 176.094 0.229 0.000 1.061 528 V CA -1.107 61.363 62.300 0.283 0.000 0.913 528 V CB 2.085 34.048 31.823 0.233 0.000 1.005 528 V HN 0.690 nan 8.190 nan 0.000 0.428 529 R N 2.504 123.128 120.500 0.207 0.000 2.368 529 R HA 0.734 4.926 4.340 -0.247 0.000 0.302 529 R C -1.435 174.948 176.300 0.138 0.000 1.002 529 R CA -0.254 55.923 56.100 0.128 0.000 0.929 529 R CB 1.581 31.919 30.300 0.062 0.000 1.073 529 R HN 0.510 nan 8.270 nan 0.000 0.464 530 V N 5.744 125.726 119.914 0.113 0.000 2.454 530 V HA 0.416 4.388 4.120 -0.247 0.000 0.267 530 V C 0.811 176.962 176.094 0.094 0.000 0.993 530 V CA 0.287 62.657 62.300 0.118 0.000 0.836 530 V CB 0.442 32.334 31.823 0.114 0.000 1.055 530 V HN 1.158 nan 8.190 nan 0.000 0.452 531 G N 4.785 113.644 108.800 0.098 0.000 2.950 531 G HA2 -0.350 3.462 3.960 -0.247 0.000 0.299 531 G HA3 -0.350 3.462 3.960 -0.247 0.000 0.299 531 G C 0.993 175.925 174.900 0.053 0.000 1.310 531 G CA 1.232 46.380 45.100 0.079 0.000 0.994 531 G HN 1.266 nan 8.290 nan 0.000 0.575 532 T N -1.303 113.276 114.554 0.042 0.000 2.975 532 T HA 0.468 4.670 4.350 -0.247 0.000 0.257 532 T C 1.290 176.005 174.700 0.026 0.000 1.003 532 T CA 1.621 63.740 62.100 0.031 0.000 0.932 532 T CB 0.078 68.961 68.868 0.025 0.000 1.087 532 T HN 1.749 nan 8.240 nan 0.000 0.512 533 T N 0.325 114.900 114.554 0.035 0.000 2.824 533 T HA 0.607 4.809 4.350 -0.247 0.000 0.277 533 T C -0.231 174.494 174.700 0.042 0.000 0.975 533 T CA -0.912 61.207 62.100 0.031 0.000 0.966 533 T CB 1.771 70.662 68.868 0.039 0.000 1.054 533 T HN 0.474 nan 8.240 nan 0.000 0.533 534 R N -0.169 120.354 120.500 0.037 0.000 2.668 534 R HA 0.641 4.832 4.340 -0.247 0.000 0.272 534 R C -1.845 174.512 176.300 0.095 0.000 1.019 534 R CA -0.803 55.334 56.100 0.061 0.000 0.894 534 R CB 2.186 32.481 30.300 -0.008 0.000 1.228 534 R HN 0.895 nan 8.270 nan 0.000 0.460 535 V N -0.221 119.791 119.914 0.163 0.000 3.012 535 V HA 0.649 4.621 4.120 -0.247 0.000 0.307 535 V C -2.770 173.464 176.094 0.233 0.000 1.166 535 V CA -2.173 60.233 62.300 0.176 0.000 0.974 535 V CB 2.057 33.952 31.823 0.120 0.000 1.040 535 V HN 0.739 nan 8.190 nan 0.000 0.428 536 P HA 0.034 nan 4.420 nan 0.000 0.261 536 P C -0.278 177.039 177.300 0.029 0.000 1.173 536 P CA 0.085 63.237 63.100 0.087 0.000 0.760 536 P CB 0.406 32.134 31.700 0.046 0.000 0.783 537 M N 3.978 123.554 119.600 -0.040 0.000 2.356 537 M HA 0.074 4.406 4.480 -0.247 0.000 0.348 537 M C -0.533 175.742 176.300 -0.041 0.000 1.595 537 M CA 1.095 56.376 55.300 -0.031 0.000 1.095 537 M CB -0.693 31.868 32.600 -0.064 0.000 1.963 537 M HN 0.210 nan 8.290 nan 0.000 0.459 538 T N 5.021 119.559 114.554 -0.027 0.000 2.867 538 T HA 0.482 4.683 4.350 -0.247 0.000 0.282 538 T C 1.385 176.057 174.700 -0.047 0.000 1.000 538 T CA -0.225 61.855 62.100 -0.033 0.000 1.042 538 T CB 1.495 70.350 68.868 -0.023 0.000 0.973 538 T HN 0.857 nan 8.240 nan 0.000 0.465 539 G N 3.502 112.273 108.800 -0.049 0.000 2.574 539 G HA2 -0.192 3.619 3.960 -0.247 0.000 0.220 539 G HA3 -0.192 3.619 3.960 -0.247 0.000 0.220 539 G C -1.020 173.845 174.900 -0.058 0.000 1.173 539 G CA 0.979 46.048 45.100 -0.053 0.000 0.772 539 G HN 0.537 nan 8.290 nan 0.000 0.585 540 P HA -0.039 nan 4.420 nan 0.000 0.214 540 P C 2.176 179.438 177.300 -0.064 0.000 1.163 540 P CA 1.178 64.242 63.100 -0.061 0.000 0.883 540 P CB -0.224 31.437 31.700 -0.065 0.000 0.788 541 V N 0.407 120.287 119.914 -0.055 0.000 2.568 541 V HA -0.258 3.713 4.120 -0.247 0.000 0.253 541 V C 2.400 178.436 176.094 -0.095 0.000 1.072 541 V CA 1.746 64.013 62.300 -0.056 0.000 1.084 541 V CB -1.167 30.641 31.823 -0.025 0.000 0.676 541 V HN 0.209 nan 8.190 nan 0.000 0.469 542 K N -0.125 120.215 120.400 -0.099 0.000 2.155 542 K HA -0.154 4.018 4.320 -0.247 0.000 0.203 542 K C 2.077 178.604 176.600 -0.121 0.000 1.052 542 K CA 1.066 57.276 56.287 -0.130 0.000 0.948 542 K CB 0.045 32.484 32.500 -0.102 0.000 0.728 542 K HN 0.370 nan 8.250 nan 0.000 0.448 543 E N 1.010 121.152 120.200 -0.097 0.000 2.152 543 E HA -0.117 4.084 4.350 -0.247 0.000 0.192 543 E C 1.787 178.322 176.600 -0.109 0.000 0.983 543 E CA 0.670 57.016 56.400 -0.090 0.000 0.818 543 E CB 0.032 29.688 29.700 -0.073 0.000 0.758 543 E HN 0.209 nan 8.360 nan 0.000 0.467 544 K N 0.783 121.113 120.400 -0.117 0.000 2.009 544 K HA -0.079 4.093 4.320 -0.247 0.000 0.210 544 K C 2.305 178.785 176.600 -0.199 0.000 1.049 544 K CA 0.813 57.012 56.287 -0.146 0.000 0.929 544 K CB -0.419 32.008 32.500 -0.122 0.000 0.714 544 K HN 0.145 nan 8.250 nan 0.000 0.440 545 I N 1.331 121.796 120.570 -0.175 0.000 2.163 545 I HA -0.335 3.687 4.170 -0.247 0.000 0.243 545 I C 2.348 178.404 176.117 -0.103 0.000 1.085 545 I CA 1.235 62.456 61.300 -0.131 0.000 1.347 545 I CB -0.288 37.527 38.000 -0.309 0.000 1.044 545 I HN 0.132 nan 8.210 nan 0.000 0.408 546 L N 0.303 121.455 121.223 -0.118 0.000 2.083 546 L HA -0.193 3.999 4.340 -0.247 0.000 0.209 546 L C 2.849 179.663 176.870 -0.094 0.000 1.083 546 L CA 1.664 56.454 54.840 -0.083 0.000 0.752 546 L CB -0.797 41.218 42.059 -0.072 0.000 0.899 546 L HN 0.394 nan 8.230 nan 0.000 0.433 547 S N -0.487 115.139 115.700 -0.123 0.000 2.356 547 S HA -0.147 4.175 4.470 -0.247 0.000 0.223 547 S C 1.930 176.427 174.600 -0.172 0.000 1.032 547 S CA 1.223 59.349 58.200 -0.123 0.000 1.005 547 S CB -0.908 62.219 63.200 -0.121 0.000 0.867 547 S HN 0.165 nan 8.310 nan 0.000 0.449 548 V N 2.136 121.873 119.914 -0.296 0.000 2.407 548 V HA -0.105 3.866 4.120 -0.247 0.000 0.248 548 V C 2.442 178.253 176.094 -0.472 0.000 1.055 548 V CA 1.708 63.710 62.300 -0.497 0.000 1.049 548 V CB -0.793 30.482 31.823 -0.913 0.000 0.662 548 V HN 0.480 nan 8.190 nan 0.000 0.455 549 I N -0.085 120.341 120.570 -0.240 0.000 2.179 549 I HA -0.284 3.738 4.170 -0.247 0.000 0.242 549 I C 2.580 178.705 176.117 0.013 0.000 1.088 549 I CA 1.913 63.174 61.300 -0.066 0.000 1.357 549 I CB -0.394 37.620 38.000 0.024 0.000 1.051 549 I HN 0.266 nan 8.210 nan 0.000 0.409 550 K N 1.058 121.450 120.400 -0.014 0.000 2.063 550 K HA -0.279 3.893 4.320 -0.247 0.000 0.208 550 K C 2.110 178.743 176.600 0.054 0.000 1.048 550 K CA 1.860 58.159 56.287 0.020 0.000 0.928 550 K CB -0.124 32.371 32.500 -0.008 0.000 0.713 550 K HN 0.321 nan 8.250 nan 0.000 0.442 551 E N -0.398 119.824 120.200 0.035 0.000 2.031 551 E HA -0.211 3.991 4.350 -0.247 0.000 0.193 551 E C 1.648 178.415 176.600 0.277 0.000 0.994 551 E CA 1.446 57.912 56.400 0.111 0.000 0.800 551 E CB -0.152 29.589 29.700 0.068 0.000 0.752 551 E HN 0.419 nan 8.360 nan 0.000 0.447 552 W N 0.189 121.515 121.300 0.043 0.000 2.388 552 W HA 0.062 4.574 4.660 -0.247 0.000 0.294 552 W C 2.376 178.924 176.519 0.047 0.000 1.212 552 W CA 1.201 58.579 57.345 0.055 0.000 1.271 552 W CB -1.138 28.378 29.460 0.093 0.000 1.126 552 W HN 0.258 nan 8.180 nan 0.000 0.535 553 G N -1.618 107.348 108.800 0.277 0.000 2.453 553 G HA2 -0.088 3.723 3.960 -0.247 0.000 0.215 553 G HA3 -0.088 3.723 3.960 -0.247 0.000 0.215 553 G C 1.314 176.282 174.900 0.115 0.000 1.147 553 G CA 1.296 46.499 45.100 0.172 0.000 0.802 553 G HN 0.197 nan 8.290 nan 0.000 0.535 554 T N 0.271 114.887 114.554 0.103 0.000 3.040 554 T HA 0.332 4.534 4.350 -0.247 0.000 0.250 554 T C 1.395 176.132 174.700 0.062 0.000 1.058 554 T CA 0.282 62.422 62.100 0.067 0.000 0.988 554 T CB 0.658 69.553 68.868 0.045 0.000 0.993 554 T HN 0.325 nan 8.240 nan 0.000 0.519 555 G N 0.734 109.586 108.800 0.085 0.000 2.535 555 G HA2 0.272 4.083 3.960 -0.247 0.000 0.282 555 G HA3 0.272 4.083 3.960 -0.247 0.000 0.282 555 G C 0.651 175.583 174.900 0.053 0.000 1.350 555 G CA -0.695 44.447 45.100 0.071 0.000 1.039 555 G HN 0.206 nan 8.290 nan 0.000 0.509 556 R N -0.423 120.099 120.500 0.036 0.000 2.241 556 R HA -0.038 4.153 4.340 -0.247 0.000 0.224 556 R C 1.420 177.723 176.300 0.005 0.000 1.101 556 R CA 1.089 57.200 56.100 0.018 0.000 0.995 556 R CB 0.032 30.337 30.300 0.008 0.000 0.870 556 R HN 0.463 nan 8.270 nan 0.000 0.463 557 D N 0.580 120.983 120.400 0.005 0.000 2.264 557 D HA -0.097 4.395 4.640 -0.247 0.000 0.208 557 D C 0.591 176.885 176.300 -0.011 0.000 0.966 557 D CA 1.559 55.540 54.000 -0.032 0.000 0.864 557 D CB -0.250 40.498 40.800 -0.087 0.000 0.933 557 D HN 0.293 nan 8.370 nan 0.000 0.499 558 T N -0.873 113.697 114.554 0.027 0.000 3.639 558 T HA -0.252 3.950 4.350 -0.247 0.000 0.386 558 T C 0.185 174.906 174.700 0.035 0.000 0.764 558 T CA 0.225 62.346 62.100 0.035 0.000 1.954 558 T CB -2.523 66.356 68.868 0.017 0.000 1.755 558 T HN 0.178 nan 8.240 nan 0.000 0.715 559 L N 0.093 121.353 121.223 0.062 0.000 2.343 559 L HA 0.566 4.758 4.340 -0.247 0.000 0.275 559 L C 1.012 177.948 176.870 0.110 0.000 1.056 559 L CA -1.215 53.663 54.840 0.063 0.000 0.804 559 L CB 1.361 43.447 42.059 0.045 0.000 1.203 559 L HN 0.340 nan 8.230 nan 0.000 0.440 560 R N 1.717 122.270 120.500 0.089 0.000 2.234 560 R HA 0.378 4.569 4.340 -0.247 0.000 0.324 560 R C -1.249 175.131 176.300 0.133 0.000 1.054 560 R CA -0.447 55.713 56.100 0.099 0.000 0.912 560 R CB 0.596 30.937 30.300 0.069 0.000 1.030 560 R HN 0.648 nan 8.270 nan 0.000 0.455 561 C N 5.103 124.499 119.300 0.161 0.000 2.365 561 C HA 0.535 4.847 4.460 -0.247 0.000 0.351 561 C C -0.743 174.332 174.990 0.141 0.000 1.240 561 C CA -0.807 58.323 59.018 0.188 0.000 2.062 561 C CB 0.785 28.662 27.740 0.228 0.000 2.387 561 C HN 0.620 nan 8.230 nan 0.000 0.537 562 L N 2.650 123.948 121.223 0.126 0.000 2.385 562 L HA 0.701 4.893 4.340 -0.247 0.000 0.273 562 L C 0.251 177.168 176.870 0.078 0.000 0.990 562 L CA -0.291 54.609 54.840 0.100 0.000 0.821 562 L CB 1.401 43.506 42.059 0.077 0.000 1.279 562 L HN 0.851 nan 8.230 nan 0.000 0.412 563 A N 5.065 127.942 122.820 0.094 0.000 2.301 563 A HA 0.812 4.984 4.320 -0.247 0.000 0.312 563 A C -0.942 176.662 177.584 0.033 0.000 1.182 563 A CA -0.410 51.691 52.037 0.106 0.000 0.826 563 A CB 0.397 19.509 19.000 0.187 0.000 1.134 563 A HN 0.637 nan 8.150 nan 0.000 0.501 564 L N 1.848 123.018 121.223 -0.088 0.000 2.333 564 L HA 0.768 4.960 4.340 -0.247 0.000 0.280 564 L C 0.240 177.010 176.870 -0.166 0.000 1.004 564 L CA -0.299 54.468 54.840 -0.122 0.000 0.820 564 L CB 1.728 43.676 42.059 -0.186 0.000 1.247 564 L HN 0.844 nan 8.230 nan 0.000 0.416 565 A N 1.647 124.448 122.820 -0.032 0.000 2.593 565 A HA 0.927 5.099 4.320 -0.247 0.000 0.290 565 A C -0.658 176.969 177.584 0.072 0.000 1.126 565 A CA -0.515 51.525 52.037 0.005 0.000 0.695 565 A CB 2.228 21.272 19.000 0.074 0.000 1.290 565 A HN 0.609 nan 8.150 nan 0.000 0.414 566 T N -1.208 113.388 114.554 0.071 0.000 2.886 566 T HA 0.626 4.827 4.350 -0.247 0.000 0.292 566 T C -0.616 174.075 174.700 -0.015 0.000 1.012 566 T CA -0.659 61.470 62.100 0.047 0.000 0.982 566 T CB 1.510 70.451 68.868 0.123 0.000 1.018 566 T HN 0.712 nan 8.240 nan 0.000 0.451 567 R N 2.393 122.837 120.500 -0.094 0.000 2.248 567 R HA 0.143 4.335 4.340 -0.247 0.000 0.337 567 R C 0.149 176.368 176.300 -0.136 0.000 1.106 567 R CA -0.421 55.639 56.100 -0.068 0.000 0.959 567 R CB 0.153 30.411 30.300 -0.071 0.000 1.075 567 R HN 0.710 nan 8.270 nan 0.000 0.480 568 D N 1.568 121.913 120.400 -0.091 0.000 2.116 568 D HA -0.120 4.372 4.640 -0.247 0.000 0.193 568 D C -0.003 176.216 176.300 -0.135 0.000 0.998 568 D CA 1.715 55.642 54.000 -0.123 0.000 0.836 568 D CB 0.342 41.066 40.800 -0.126 0.000 0.951 568 D HN 0.413 nan 8.370 nan 0.000 0.449 569 T N 3.471 117.967 114.554 -0.097 0.000 3.254 569 T HA 0.249 4.451 4.350 -0.247 0.000 0.385 569 T C -2.342 172.322 174.700 -0.060 0.000 1.528 569 T CA -1.293 60.761 62.100 -0.077 0.000 1.212 569 T CB 1.942 70.786 68.868 -0.040 0.000 1.145 569 T HN 0.046 nan 8.240 nan 0.000 0.631 570 P HA 0.239 nan 4.420 nan 0.000 0.272 570 P C -2.509 174.812 177.300 0.034 0.000 1.223 570 P CA -1.346 61.703 63.100 -0.085 0.000 0.784 570 P CB -0.001 31.512 31.700 -0.312 0.000 0.923 571 P HA 0.050 nan 4.420 nan 0.000 0.270 571 P C -0.053 177.322 177.300 0.126 0.000 1.223 571 P CA 0.014 63.175 63.100 0.102 0.000 0.785 571 P CB 0.513 32.277 31.700 0.107 0.000 0.923 572 K N 1.366 121.814 120.400 0.080 0.000 2.524 572 K HA -0.101 4.070 4.320 -0.247 0.000 0.279 572 K C 1.468 178.084 176.600 0.026 0.000 0.993 572 K CA 0.174 56.500 56.287 0.065 0.000 1.030 572 K CB 0.295 32.815 32.500 0.033 0.000 0.891 572 K HN 0.362 nan 8.250 nan 0.000 0.488 573 R N 3.241 123.742 120.500 0.002 0.000 2.127 573 R HA -0.179 4.013 4.340 -0.247 0.000 0.238 573 R C 1.021 177.227 176.300 -0.157 0.000 1.134 573 R CA 1.945 57.949 56.100 -0.160 0.000 0.975 573 R CB -0.047 30.134 30.300 -0.198 0.000 0.865 573 R HN 0.644 nan 8.270 nan 0.000 0.447 574 E N 0.416 120.565 120.200 -0.086 0.000 2.204 574 E HA -0.097 4.105 4.350 -0.247 0.000 0.194 574 E C 1.103 177.663 176.600 -0.066 0.000 0.989 574 E CA 1.011 57.365 56.400 -0.077 0.000 0.824 574 E CB -0.085 29.590 29.700 -0.041 0.000 0.756 574 E HN 0.305 nan 8.360 nan 0.000 0.477 575 E N 0.031 120.203 120.200 -0.046 0.000 2.485 575 E HA 0.088 4.289 4.350 -0.247 0.000 0.194 575 E C -0.018 176.566 176.600 -0.028 0.000 1.098 575 E CA 0.331 56.724 56.400 -0.012 0.000 0.878 575 E CB -0.242 29.472 29.700 0.024 0.000 0.939 575 E HN 0.377 nan 8.360 nan 0.000 0.503 576 M N 0.135 119.654 119.600 -0.135 0.000 2.456 576 M HA 0.323 4.655 4.480 -0.247 0.000 0.324 576 M C -0.665 175.551 176.300 -0.140 0.000 1.124 576 M CA -0.816 54.331 55.300 -0.255 0.000 0.959 576 M CB 2.870 35.117 32.600 -0.588 0.000 1.692 576 M HN -0.360 nan 8.290 nan 0.000 0.444 577 V N 4.612 124.569 119.914 0.071 0.000 2.334 577 V HA 0.239 4.211 4.120 -0.247 0.000 0.281 577 V C 0.664 176.865 176.094 0.178 0.000 1.016 577 V CA -0.439 61.912 62.300 0.084 0.000 0.832 577 V CB 1.171 33.065 31.823 0.120 0.000 0.999 577 V HN 0.825 nan 8.190 nan 0.000 0.439 578 L N 1.797 123.031 121.223 0.018 0.000 2.650 578 L HA 0.124 4.316 4.340 -0.247 0.000 0.235 578 L C 1.106 178.118 176.870 0.237 0.000 1.149 578 L CA 0.521 55.420 54.840 0.099 0.000 0.887 578 L CB -0.310 41.634 42.059 -0.191 0.000 1.021 578 L HN 0.598 nan 8.230 nan 0.000 0.441 579 D N -0.383 120.092 120.400 0.125 0.000 2.388 579 D HA 0.006 4.498 4.640 -0.247 0.000 0.208 579 D C 0.150 176.315 176.300 -0.224 0.000 1.035 579 D CA 0.509 54.535 54.000 0.044 0.000 0.875 579 D CB 0.480 41.315 40.800 0.059 0.000 0.984 579 D HN 0.365 nan 8.370 nan 0.000 0.508 580 D N 1.556 121.835 120.400 -0.202 0.000 2.499 580 D HA 0.031 4.523 4.640 -0.247 0.000 0.225 580 D C 1.323 177.169 176.300 -0.756 0.000 1.124 580 D CA 0.003 53.787 54.000 -0.361 0.000 0.938 580 D CB 1.256 41.948 40.800 -0.180 0.000 1.014 580 D HN -0.066 nan 8.370 nan 0.000 0.517 581 S N 0.760 115.746 115.700 -1.190 0.000 2.461 581 S HA -0.276 4.045 4.470 -0.247 0.000 0.246 581 S C 1.914 175.855 174.600 -1.099 0.000 1.007 581 S CA 1.300 58.405 58.200 -1.824 0.000 0.976 581 S CB -0.305 62.329 63.200 -0.943 0.000 0.763 581 S HN 0.413 nan 8.310 nan 0.000 0.508 582 S N 2.061 117.393 115.700 -0.614 0.000 2.447 582 S HA -0.000 4.321 4.470 -0.247 0.000 0.233 582 S C 1.702 176.107 174.600 -0.325 0.000 1.006 582 S CA 0.315 58.302 58.200 -0.356 0.000 0.957 582 S CB -0.447 62.613 63.200 -0.233 0.000 0.773 582 S HN 0.666 nan 8.310 nan 0.000 0.507 583 R N -0.580 119.682 120.500 -0.398 0.000 2.317 583 R HA 0.278 4.469 4.340 -0.247 0.000 0.208 583 R C 0.902 176.850 176.300 -0.588 0.000 0.914 583 R CA -0.040 55.769 56.100 -0.484 0.000 1.060 583 R CB -0.180 29.801 30.300 -0.531 0.000 1.015 583 R HN 0.353 nan 8.270 nan 0.000 0.498 584 F N 1.173 120.902 119.950 -0.369 0.000 2.146 584 F HA -0.123 4.256 4.527 -0.247 0.000 0.298 584 F C 2.328 178.072 175.800 -0.094 0.000 1.096 584 F CA 0.789 58.716 58.000 -0.121 0.000 1.275 584 F CB -0.766 38.249 39.000 0.026 0.000 1.008 584 F HN -0.004 nan 8.300 nan 0.000 0.480 585 M N 0.473 120.115 119.600 0.069 0.000 2.065 585 M HA -0.270 4.062 4.480 -0.247 0.000 0.259 585 M C 2.382 178.690 176.300 0.013 0.000 1.069 585 M CA 2.252 57.570 55.300 0.030 0.000 1.110 585 M CB -0.463 32.126 32.600 -0.017 0.000 1.328 585 M HN 0.267 nan 8.290 nan 0.000 0.405 586 E N -0.516 119.640 120.200 -0.074 0.000 2.114 586 E HA -0.274 3.928 4.350 -0.247 0.000 0.199 586 E C 1.643 178.286 176.600 0.072 0.000 1.008 586 E CA 1.925 58.292 56.400 -0.055 0.000 0.810 586 E CB -0.481 29.128 29.700 -0.152 0.000 0.739 586 E HN 0.663 nan 8.360 nan 0.000 0.456 587 Y N 1.024 121.392 120.300 0.114 0.000 2.274 587 Y HA -0.019 4.383 4.550 -0.247 0.000 0.290 587 Y C 1.056 177.001 175.900 0.075 0.000 1.145 587 Y CA 0.985 59.149 58.100 0.107 0.000 1.203 587 Y CB -0.237 38.303 38.460 0.133 0.000 0.984 587 Y HN 0.116 nan 8.280 nan 0.000 0.533 588 E N 0.454 120.781 120.200 0.211 0.000 2.325 588 E HA 0.171 4.373 4.350 -0.247 0.000 0.295 588 E C -0.302 176.355 176.600 0.096 0.000 1.461 588 E CA -0.046 56.430 56.400 0.128 0.000 1.698 588 E CB -0.059 29.705 29.700 0.106 0.000 1.496 588 E HN 0.094 nan 8.360 nan 0.000 0.474 589 T N -0.090 114.524 114.554 0.101 0.000 2.930 589 T HA 0.138 4.340 4.350 -0.247 0.000 0.290 589 T C -0.105 174.649 174.700 0.089 0.000 1.052 589 T CA -0.720 61.428 62.100 0.080 0.000 1.017 589 T CB 1.155 70.066 68.868 0.072 0.000 1.137 589 T HN 0.212 nan 8.240 nan 0.000 0.511 590 D N 0.635 121.083 120.400 0.081 0.000 2.723 590 D HA -0.131 4.361 4.640 -0.247 0.000 0.236 590 D C -0.299 176.109 176.300 0.180 0.000 1.138 590 D CA 0.450 54.525 54.000 0.125 0.000 0.676 590 D CB -1.278 39.614 40.800 0.153 0.000 1.069 590 D HN 0.353 nan 8.370 nan 0.000 0.430 591 L N -0.792 120.515 121.223 0.140 0.000 2.479 591 L HA 0.493 4.684 4.340 -0.247 0.000 0.249 591 L C 1.070 178.074 176.870 0.224 0.000 1.178 591 L CA -0.272 54.657 54.840 0.148 0.000 0.811 591 L CB 0.916 43.044 42.059 0.115 0.000 1.187 591 L HN -0.031 nan 8.230 nan 0.000 0.480 592 T N 0.603 115.269 114.554 0.186 0.000 2.809 592 T HA 0.294 4.496 4.350 -0.247 0.000 0.284 592 T C -0.691 174.115 174.700 0.178 0.000 0.992 592 T CA -0.320 61.906 62.100 0.210 0.000 0.957 592 T CB 0.847 69.798 68.868 0.138 0.000 0.942 592 T HN 0.230 nan 8.240 nan 0.000 0.439 593 F N 4.510 124.510 119.950 0.084 0.000 2.472 593 F HA 0.355 4.734 4.527 -0.247 0.000 0.364 593 F C 0.725 176.549 175.800 0.041 0.000 1.090 593 F CA -0.048 57.982 58.000 0.049 0.000 1.188 593 F CB 0.485 39.511 39.000 0.044 0.000 1.105 593 F HN 0.349 nan 8.300 nan 0.000 0.536 594 V N 5.063 124.493 119.914 -0.807 0.000 2.627 594 V HA 0.459 4.430 4.120 -0.247 0.000 0.239 594 V C 1.142 176.633 176.094 -1.006 0.000 1.077 594 V CA 0.950 62.874 62.300 -0.626 0.000 1.103 594 V CB -0.165 31.447 31.823 -0.351 0.000 0.802 594 V HN 1.004 nan 8.190 nan 0.000 0.482 595 G N -1.013 106.943 108.800 -1.407 0.000 2.490 595 G HA2 0.524 4.335 3.960 -0.247 0.000 0.308 595 G HA3 0.524 4.335 3.960 -0.247 0.000 0.308 595 G C -2.149 172.327 174.900 -0.706 0.000 1.286 595 G CA -0.080 44.385 45.100 -1.059 0.000 0.825 595 G HN 0.016 nan 8.290 nan 0.000 0.479 596 V N -0.166 119.389 119.914 -0.598 0.000 2.841 596 V HA 0.750 4.722 4.120 -0.247 0.000 0.310 596 V C -0.330 175.697 176.094 -0.113 0.000 1.090 596 V CA -0.639 61.449 62.300 -0.354 0.000 0.930 596 V CB 1.760 33.251 31.823 -0.554 0.000 1.014 596 V HN 1.442 nan 8.190 nan 0.000 0.425 597 V N 0.390 120.338 119.914 0.058 0.000 2.656 597 V HA 1.026 4.998 4.120 -0.247 0.000 0.307 597 V C 0.095 176.328 176.094 0.232 0.000 1.051 597 V CA -0.445 61.942 62.300 0.145 0.000 0.893 597 V CB 1.651 33.494 31.823 0.033 0.000 0.999 597 V HN 1.049 nan 8.190 nan 0.000 0.426 598 G N 5.583 114.536 108.800 0.256 0.000 2.487 598 G HA2 0.670 4.482 3.960 -0.247 0.000 0.314 598 G HA3 0.670 4.482 3.960 -0.247 0.000 0.314 598 G C -0.583 174.336 174.900 0.032 0.000 1.267 598 G CA -0.854 44.368 45.100 0.203 0.000 0.937 598 G HN 1.157 nan 8.290 nan 0.000 0.481 599 M N 1.694 121.319 119.600 0.043 0.000 2.644 599 M HA 0.854 5.185 4.480 -0.247 0.000 0.316 599 M C -1.521 174.776 176.300 -0.005 0.000 1.200 599 M CA -1.151 54.152 55.300 0.004 0.000 0.944 599 M CB 2.411 35.024 32.600 0.021 0.000 1.691 599 M HN 0.314 nan 8.290 nan 0.000 0.471 600 L N 1.682 122.888 121.223 -0.029 0.000 2.365 600 L HA 0.553 4.744 4.340 -0.247 0.000 0.273 600 L C -1.487 175.363 176.870 -0.033 0.000 1.000 600 L CA 0.115 54.935 54.840 -0.033 0.000 0.819 600 L CB 1.867 43.893 42.059 -0.055 0.000 1.284 600 L HN 0.841 nan 8.230 nan 0.000 0.418 601 D N 6.483 126.870 120.400 -0.022 0.000 2.479 601 D HA 0.340 4.831 4.640 -0.247 0.000 0.247 601 D C -2.503 173.779 176.300 -0.029 0.000 1.119 601 D CA -2.031 51.956 54.000 -0.022 0.000 0.922 601 D CB 0.917 41.714 40.800 -0.005 0.000 1.014 601 D HN 0.290 nan 8.370 nan 0.000 0.510 602 P HA 0.097 nan 4.420 nan 0.000 0.264 602 P C -2.566 174.715 177.300 -0.032 0.000 1.183 602 P CA -0.945 62.131 63.100 -0.040 0.000 0.763 602 P CB 0.235 31.905 31.700 -0.050 0.000 0.807 603 P HA 0.188 nan 4.420 nan 0.000 0.269 603 P C 0.204 177.493 177.300 -0.019 0.000 1.209 603 P CA -0.009 63.071 63.100 -0.032 0.000 0.776 603 P CB 0.378 32.054 31.700 -0.039 0.000 0.876 604 R N 2.295 122.791 120.500 -0.006 0.000 2.638 604 R HA -0.070 4.122 4.340 -0.247 0.000 0.268 604 R C 1.658 177.965 176.300 0.011 0.000 1.006 604 R CA 0.558 56.665 56.100 0.012 0.000 1.088 604 R CB -0.015 30.310 30.300 0.041 0.000 0.950 604 R HN 0.485 nan 8.270 nan 0.000 0.419 605 K N 1.402 121.808 120.400 0.009 0.000 2.442 605 K HA -0.155 4.017 4.320 -0.247 0.000 0.198 605 K C 0.051 176.662 176.600 0.018 0.000 1.044 605 K CA 1.644 57.936 56.287 0.007 0.000 0.948 605 K CB 0.168 32.670 32.500 0.003 0.000 0.762 605 K HN 0.491 nan 8.250 nan 0.000 0.472 606 E N 0.681 120.901 120.200 0.034 0.000 2.447 606 E HA -0.034 4.168 4.350 -0.247 0.000 0.204 606 E C 1.823 178.470 176.600 0.078 0.000 0.977 606 E CA 0.481 56.909 56.400 0.047 0.000 0.950 606 E CB 0.449 30.177 29.700 0.047 0.000 0.975 606 E HN 0.232 nan 8.360 nan 0.000 0.496 607 V N -0.820 119.146 119.914 0.087 0.000 2.392 607 V HA -0.312 3.660 4.120 -0.247 0.000 0.249 607 V C 2.040 178.172 176.094 0.063 0.000 1.059 607 V CA 1.539 63.907 62.300 0.113 0.000 1.051 607 V CB -0.676 31.155 31.823 0.013 0.000 0.658 607 V HN 0.183 nan 8.190 nan 0.000 0.455 608 M N 1.273 120.888 119.600 0.025 0.000 2.065 608 M HA -0.079 4.252 4.480 -0.247 0.000 0.259 608 M C 2.456 178.776 176.300 0.034 0.000 1.069 608 M CA 2.446 57.753 55.300 0.012 0.000 1.110 608 M CB -1.494 31.109 32.600 0.004 0.000 1.328 608 M HN 0.564 nan 8.290 nan 0.000 0.405 609 G N 0.025 108.850 108.800 0.041 0.000 2.453 609 G HA2 -0.197 3.614 3.960 -0.247 0.000 0.215 609 G HA3 -0.197 3.614 3.960 -0.247 0.000 0.215 609 G C 1.618 176.556 174.900 0.063 0.000 1.201 609 G CA 1.269 46.394 45.100 0.042 0.000 0.784 609 G HN 0.486 nan 8.290 nan 0.000 0.545 610 S N 0.796 116.555 115.700 0.098 0.000 2.370 610 S HA -0.102 4.220 4.470 -0.247 0.000 0.226 610 S C 2.279 176.994 174.600 0.191 0.000 1.033 610 S CA 1.022 59.299 58.200 0.128 0.000 1.011 610 S CB -0.198 63.100 63.200 0.163 0.000 0.852 610 S HN 0.274 nan 8.310 nan 0.000 0.457 611 I N 1.666 122.369 120.570 0.222 0.000 2.208 611 I HA -0.159 3.863 4.170 -0.247 0.000 0.245 611 I C 2.710 178.879 176.117 0.086 0.000 1.097 611 I CA 1.345 62.742 61.300 0.161 0.000 1.363 611 I CB -1.190 36.822 38.000 0.020 0.000 1.051 611 I HN 0.321 nan 8.210 nan 0.000 0.413 612 Q N 0.663 120.498 119.800 0.058 0.000 2.084 612 Q HA -0.131 4.061 4.340 -0.247 0.000 0.202 612 Q C 2.450 178.471 176.000 0.035 0.000 0.978 612 Q CA 1.310 57.135 55.803 0.035 0.000 0.844 612 Q CB -0.388 28.366 28.738 0.026 0.000 0.898 612 Q HN 0.502 nan 8.270 nan 0.000 0.426 613 L N -0.410 120.837 121.223 0.040 0.000 2.079 613 L HA -0.276 3.916 4.340 -0.247 0.000 0.210 613 L C 2.599 179.484 176.870 0.026 0.000 1.081 613 L CA 1.076 55.931 54.840 0.025 0.000 0.752 613 L CB -0.323 41.746 42.059 0.017 0.000 0.896 613 L HN 0.275 nan 8.230 nan 0.000 0.433 614 C N -0.544 118.783 119.300 0.046 0.000 2.425 614 C HA -0.144 4.167 4.460 -0.247 0.000 0.277 614 C C 2.794 177.804 174.990 0.033 0.000 1.280 614 C CA 0.621 59.666 59.018 0.045 0.000 1.744 614 C CB -1.089 26.708 27.740 0.094 0.000 1.989 614 C HN 0.465 nan 8.230 nan 0.000 0.491 615 R N 0.892 121.410 120.500 0.031 0.000 2.092 615 R HA -0.088 4.103 4.340 -0.247 0.000 0.231 615 R C 1.584 177.893 176.300 0.016 0.000 1.119 615 R CA 1.381 57.493 56.100 0.021 0.000 0.970 615 R CB -0.397 29.914 30.300 0.018 0.000 0.864 615 R HN 0.507 nan 8.270 nan 0.000 0.440 616 D N 0.791 121.200 120.400 0.015 0.000 2.219 616 D HA -0.074 4.418 4.640 -0.247 0.000 0.205 616 D C 1.358 177.663 176.300 0.008 0.000 0.970 616 D CA 1.245 55.251 54.000 0.010 0.000 0.851 616 D CB 0.028 40.833 40.800 0.009 0.000 0.943 616 D HN 0.272 nan 8.370 nan 0.000 0.488 617 A N -0.445 122.380 122.820 0.009 0.000 2.275 617 A HA 0.457 4.628 4.320 -0.247 0.000 0.212 617 A C 1.661 179.249 177.584 0.006 0.000 1.201 617 A CA 0.763 52.803 52.037 0.005 0.000 0.843 617 A CB -0.116 18.884 19.000 0.001 0.000 0.873 617 A HN 0.184 nan 8.150 nan 0.000 0.492 618 G N -0.306 108.499 108.800 0.009 0.000 2.160 618 G HA2 -0.239 3.572 3.960 -0.247 0.000 0.251 618 G HA3 -0.239 3.572 3.960 -0.247 0.000 0.251 618 G C 0.018 174.925 174.900 0.011 0.000 1.008 618 G CA 0.492 45.597 45.100 0.009 0.000 0.724 618 G HN 0.554 nan 8.290 nan 0.000 0.514 619 I N 0.509 121.089 120.570 0.016 0.000 2.321 619 I HA 0.354 4.376 4.170 -0.247 0.000 0.291 619 I C 1.054 177.192 176.117 0.034 0.000 0.998 619 I CA -0.855 60.459 61.300 0.022 0.000 1.227 619 I CB 1.156 39.168 38.000 0.020 0.000 1.368 619 I HN 0.015 nan 8.210 nan 0.000 0.466 620 R N 4.555 125.075 120.500 0.033 0.000 2.543 620 R HA 0.488 4.679 4.340 -0.247 0.000 0.277 620 R C -1.050 175.281 176.300 0.051 0.000 1.074 620 R CA -0.301 55.819 56.100 0.032 0.000 1.076 620 R CB 1.234 31.552 30.300 0.030 0.000 0.993 620 R HN 0.413 nan 8.270 nan 0.000 0.459 621 V N 6.208 126.139 119.914 0.029 0.000 2.444 621 V HA 0.402 4.374 4.120 -0.247 0.000 0.294 621 V C -0.055 176.016 176.094 -0.039 0.000 1.022 621 V CA -0.590 61.731 62.300 0.034 0.000 0.850 621 V CB 1.697 33.533 31.823 0.022 0.000 0.992 621 V HN 0.614 nan 8.190 nan 0.000 0.426 622 I N 5.352 125.925 120.570 0.004 0.000 2.406 622 I HA 0.475 4.497 4.170 -0.247 0.000 0.290 622 I C -0.120 175.991 176.117 -0.010 0.000 0.999 622 I CA -0.397 60.902 61.300 -0.000 0.000 1.124 622 I CB 1.822 39.889 38.000 0.113 0.000 1.289 622 I HN 0.574 nan 8.210 nan 0.000 0.441 623 M N 7.437 126.995 119.600 -0.069 0.000 2.188 623 M HA 0.518 4.849 4.480 -0.247 0.000 0.357 623 M C -1.346 174.976 176.300 0.038 0.000 1.204 623 M CA -0.164 55.099 55.300 -0.062 0.000 1.095 623 M CB 1.001 33.522 32.600 -0.132 0.000 1.604 623 M HN 0.505 nan 8.290 nan 0.000 0.464 624 I N 4.301 124.902 120.570 0.050 0.000 2.382 624 I HA 0.351 4.372 4.170 -0.247 0.000 0.286 624 I C -0.300 175.850 176.117 0.055 0.000 1.002 624 I CA -0.367 60.989 61.300 0.092 0.000 1.135 624 I CB 1.928 39.972 38.000 0.073 0.000 1.288 624 I HN 0.685 nan 8.210 nan 0.000 0.448 625 T N 2.889 117.484 114.554 0.068 0.000 2.896 625 T HA 0.491 4.693 4.350 -0.247 0.000 0.297 625 T C 0.749 175.487 174.700 0.063 0.000 1.108 625 T CA -0.299 61.830 62.100 0.049 0.000 1.004 625 T CB 1.814 70.701 68.868 0.032 0.000 1.159 625 T HN 0.696 nan 8.240 nan 0.000 0.499 626 G N 1.274 110.104 108.800 0.050 0.000 3.042 626 G HA2 0.158 3.969 3.960 -0.247 0.000 0.212 626 G HA3 0.158 3.969 3.960 -0.247 0.000 0.212 626 G C 0.321 175.258 174.900 0.062 0.000 1.166 626 G CA -0.120 45.013 45.100 0.056 0.000 0.767 626 G HN 0.709 nan 8.290 nan 0.000 0.546 627 D N 1.252 121.685 120.400 0.056 0.000 2.362 627 D HA 0.022 4.514 4.640 -0.247 0.000 0.238 627 D C 0.530 176.872 176.300 0.070 0.000 1.212 627 D CA 0.051 54.087 54.000 0.059 0.000 0.902 627 D CB 0.751 41.581 40.800 0.050 0.000 1.180 627 D HN 0.302 nan 8.370 nan 0.000 0.445 628 N N 0.128 118.871 118.700 0.072 0.000 2.354 628 N HA -0.062 4.530 4.740 -0.247 0.000 0.246 628 N C 0.691 176.240 175.510 0.064 0.000 1.285 628 N CA -0.336 52.757 53.050 0.073 0.000 0.925 628 N CB 0.857 39.386 38.487 0.071 0.000 1.174 628 N HN 0.307 nan 8.380 nan 0.000 0.478 629 K N -0.056 120.380 120.400 0.060 0.000 2.059 629 K HA -0.192 3.980 4.320 -0.247 0.000 0.212 629 K C 1.810 178.431 176.600 0.034 0.000 1.050 629 K CA 1.997 58.311 56.287 0.044 0.000 0.927 629 K CB -0.937 31.579 32.500 0.027 0.000 0.714 629 K HN 0.741 nan 8.250 nan 0.000 0.447 630 G N -0.145 108.674 108.800 0.031 0.000 2.480 630 G HA2 -0.270 3.542 3.960 -0.247 0.000 0.216 630 G HA3 -0.270 3.542 3.960 -0.247 0.000 0.216 630 G C 1.444 176.369 174.900 0.042 0.000 1.200 630 G CA 1.576 46.692 45.100 0.028 0.000 0.782 630 G HN 0.363 nan 8.290 nan 0.000 0.554 631 T N 1.622 116.207 114.554 0.052 0.000 2.833 631 T HA 0.050 4.252 4.350 -0.247 0.000 0.269 631 T C 2.751 177.481 174.700 0.050 0.000 1.054 631 T CA 1.423 63.557 62.100 0.056 0.000 1.135 631 T CB -0.328 68.578 68.868 0.063 0.000 0.869 631 T HN 0.405 nan 8.240 nan 0.000 0.466 632 A N 1.333 124.183 122.820 0.051 0.000 1.877 632 A HA -0.038 4.134 4.320 -0.247 0.000 0.216 632 A C 2.270 179.896 177.584 0.071 0.000 1.186 632 A CA 1.241 53.308 52.037 0.050 0.000 0.620 632 A CB -0.741 18.292 19.000 0.055 0.000 0.822 632 A HN 0.520 nan 8.150 nan 0.000 0.443 633 I N -0.326 120.300 120.570 0.093 0.000 2.226 633 I HA -0.267 3.754 4.170 -0.247 0.000 0.245 633 I C 2.949 179.148 176.117 0.137 0.000 1.100 633 I CA 1.019 62.416 61.300 0.161 0.000 1.374 633 I CB -0.349 37.691 38.000 0.067 0.000 1.057 633 I HN 0.365 nan 8.210 nan 0.000 0.413 634 A N 0.910 123.775 122.820 0.075 0.000 1.972 634 A HA -0.158 4.014 4.320 -0.247 0.000 0.219 634 A C 2.266 179.878 177.584 0.047 0.000 1.169 634 A CA 1.411 53.483 52.037 0.058 0.000 0.635 634 A CB -0.715 18.314 19.000 0.048 0.000 0.810 634 A HN 0.419 nan 8.150 nan 0.000 0.446 635 I N -1.110 119.481 120.570 0.035 0.000 2.353 635 I HA -0.233 3.789 4.170 -0.247 0.000 0.248 635 I C 2.328 178.432 176.117 -0.021 0.000 1.119 635 I CA 0.679 61.980 61.300 0.002 0.000 1.417 635 I CB -0.462 37.531 38.000 -0.011 0.000 1.078 635 I HN 0.354 nan 8.210 nan 0.000 0.421 636 C N 0.835 120.131 119.300 -0.006 0.000 2.446 636 C HA -0.096 4.216 4.460 -0.247 0.000 0.277 636 C C 2.926 177.915 174.990 -0.002 0.000 1.275 636 C CA 0.724 59.692 59.018 -0.084 0.000 1.727 636 C CB -1.092 26.549 27.740 -0.164 0.000 2.010 636 C HN 0.423 nan 8.230 nan 0.000 0.486 637 R N 0.409 120.978 120.500 0.115 0.000 2.092 637 R HA -0.120 4.072 4.340 -0.247 0.000 0.231 637 R C 2.410 178.734 176.300 0.039 0.000 1.119 637 R CA 1.245 57.411 56.100 0.111 0.000 0.970 637 R CB -0.373 29.987 30.300 0.100 0.000 0.864 637 R HN 0.547 nan 8.270 nan 0.000 0.440 638 R N 1.726 122.237 120.500 0.018 0.000 2.075 638 R HA -0.081 4.111 4.340 -0.247 0.000 0.232 638 R C 2.137 178.425 176.300 -0.021 0.000 1.126 638 R CA 1.526 57.624 56.100 -0.002 0.000 0.963 638 R CB -0.183 30.113 30.300 -0.006 0.000 0.858 638 R HN 0.366 nan 8.270 nan 0.000 0.435 639 I N -3.302 117.240 120.570 -0.046 0.000 3.684 639 I HA 0.375 4.396 4.170 -0.247 0.000 0.304 639 I C 0.787 176.866 176.117 -0.064 0.000 1.278 639 I CA 0.682 61.942 61.300 -0.066 0.000 1.272 639 I CB 0.604 38.536 38.000 -0.114 0.000 1.029 639 I HN 0.341 nan 8.210 nan 0.000 0.458 640 G N 1.608 110.380 108.800 -0.048 0.000 2.159 640 G HA2 -0.217 3.595 3.960 -0.247 0.000 0.227 640 G HA3 -0.217 3.595 3.960 -0.247 0.000 0.227 640 G C 0.596 175.456 174.900 -0.066 0.000 0.986 640 G CA 0.252 45.332 45.100 -0.034 0.000 0.651 640 G HN 0.291 nan 8.290 nan 0.000 0.523 641 I N -0.351 120.127 120.570 -0.153 0.000 2.252 641 I HA 0.209 4.231 4.170 -0.247 0.000 0.245 641 I C 1.105 177.062 176.117 -0.266 0.000 1.102 641 I CA 0.934 62.058 61.300 -0.294 0.000 1.385 641 I CB -0.814 36.871 38.000 -0.525 0.000 1.064 641 I HN 0.135 nan 8.210 nan 0.000 0.414 642 F N -0.009 119.917 119.950 -0.039 0.000 2.538 642 F HA 0.622 5.001 4.527 -0.247 0.000 0.325 642 F C 1.002 176.785 175.800 -0.029 0.000 1.066 642 F CA -1.630 56.348 58.000 -0.036 0.000 0.946 642 F CB 0.911 39.885 39.000 -0.044 0.000 1.199 642 F HN -0.176 nan 8.300 nan 0.000 0.473 643 G N 0.433 109.348 108.800 0.193 0.000 2.467 643 G HA2 0.166 3.977 3.960 -0.247 0.000 0.257 643 G HA3 0.166 3.977 3.960 -0.247 0.000 0.257 643 G C 0.742 175.681 174.900 0.065 0.000 1.227 643 G CA -0.297 44.856 45.100 0.089 0.000 0.835 643 G HN 0.854 nan 8.290 nan 0.000 0.556 644 E N 1.045 121.270 120.200 0.041 0.000 2.169 644 E HA -0.212 3.989 4.350 -0.247 0.000 0.202 644 E C 0.949 177.551 176.600 0.004 0.000 1.016 644 E CA 1.656 58.071 56.400 0.025 0.000 0.817 644 E CB 0.121 29.830 29.700 0.015 0.000 0.736 644 E HN 0.565 nan 8.360 nan 0.000 0.462 645 N N 0.441 119.137 118.700 -0.006 0.000 2.197 645 N HA 0.025 4.617 4.740 -0.247 0.000 0.228 645 N C -0.697 174.786 175.510 -0.045 0.000 1.212 645 N CA 0.064 53.099 53.050 -0.026 0.000 0.883 645 N CB 0.603 39.078 38.487 -0.020 0.000 1.107 645 N HN 0.337 nan 8.380 nan 0.000 0.519 646 E N 0.652 120.822 120.200 -0.049 0.000 2.374 646 E HA 0.193 4.394 4.350 -0.247 0.000 0.260 646 E C -0.400 176.112 176.600 -0.145 0.000 1.101 646 E CA -0.402 55.953 56.400 -0.074 0.000 0.907 646 E CB 0.961 30.634 29.700 -0.046 0.000 1.014 646 E HN -0.154 nan 8.360 nan 0.000 0.427 647 E N 0.905 121.019 120.200 -0.144 0.000 2.338 647 E HA 0.099 4.300 4.350 -0.247 0.000 0.272 647 E C 0.171 176.595 176.600 -0.294 0.000 1.029 647 E CA -0.089 56.200 56.400 -0.185 0.000 0.872 647 E CB 1.731 31.354 29.700 -0.128 0.000 1.015 647 E HN 0.525 nan 8.360 nan 0.000 0.417 648 V N -0.527 119.159 119.914 -0.380 0.000 3.276 648 V HA 0.328 4.299 4.120 -0.247 0.000 0.319 648 V C 1.375 177.240 176.094 -0.382 0.000 1.476 648 V CA 0.365 62.335 62.300 -0.549 0.000 1.097 648 V CB 0.235 31.403 31.823 -1.091 0.000 0.988 648 V HN 0.546 nan 8.190 nan 0.000 0.473 649 A N 2.664 125.321 122.820 -0.272 0.000 1.915 649 A HA -0.284 3.887 4.320 -0.247 0.000 0.220 649 A C 1.575 178.973 177.584 -0.309 0.000 1.198 649 A CA 2.786 54.678 52.037 -0.242 0.000 0.647 649 A CB -0.708 18.196 19.000 -0.159 0.000 0.825 649 A HN 0.942 nan 8.150 nan 0.000 0.456 650 D N -2.692 117.575 120.400 -0.221 0.000 2.643 650 D HA 0.231 4.723 4.640 -0.247 0.000 0.244 650 D C 0.860 177.158 176.300 -0.003 0.000 1.257 650 D CA -0.215 53.703 54.000 -0.137 0.000 0.831 650 D CB 0.008 40.837 40.800 0.047 0.000 1.043 650 D HN 0.497 nan 8.370 nan 0.000 0.488 651 R N -0.316 120.101 120.500 -0.138 0.000 2.509 651 R HA 0.540 4.732 4.340 -0.247 0.000 0.297 651 R C -0.208 176.136 176.300 0.072 0.000 0.951 651 R CA -0.153 55.981 56.100 0.057 0.000 1.103 651 R CB 1.413 31.750 30.300 0.061 0.000 1.283 651 R HN 0.154 nan 8.270 nan 0.000 0.534 652 A N 0.741 123.428 122.820 -0.221 0.000 2.398 652 A HA 0.723 4.895 4.320 -0.247 0.000 0.301 652 A C -1.631 175.682 177.584 -0.451 0.000 1.041 652 A CA -0.499 51.425 52.037 -0.189 0.000 0.711 652 A CB 1.060 20.020 19.000 -0.066 0.000 1.240 652 A HN 0.124 nan 8.150 nan 0.000 0.420 653 Y N -0.102 120.070 120.300 -0.213 0.000 2.562 653 Y HA 0.625 5.027 4.550 -0.247 0.000 0.345 653 Y C 0.748 176.715 175.900 0.111 0.000 1.045 653 Y CA -0.412 57.680 58.100 -0.013 0.000 1.028 653 Y CB 2.281 40.808 38.460 0.112 0.000 1.297 653 Y HN 0.801 nan 8.280 nan 0.000 0.463 654 T N -2.378 112.363 114.554 0.311 0.000 2.927 654 T HA 0.464 4.665 4.350 -0.247 0.000 0.281 654 T C 1.245 176.150 174.700 0.343 0.000 0.998 654 T CA -0.159 62.102 62.100 0.270 0.000 1.019 654 T CB 1.502 70.482 68.868 0.187 0.000 1.061 654 T HN 0.839 nan 8.240 nan 0.000 0.518 655 G N 1.092 110.083 108.800 0.318 0.000 2.553 655 G HA2 -0.278 3.534 3.960 -0.247 0.000 0.218 655 G HA3 -0.278 3.534 3.960 -0.247 0.000 0.218 655 G C 1.649 176.800 174.900 0.419 0.000 1.195 655 G CA 0.611 45.967 45.100 0.426 0.000 0.779 655 G HN 0.700 nan 8.290 nan 0.000 0.577 656 R N 0.971 121.644 120.500 0.288 0.000 2.136 656 R HA -0.149 4.043 4.340 -0.247 0.000 0.242 656 R C 2.603 179.042 176.300 0.233 0.000 1.131 656 R CA 2.244 58.479 56.100 0.225 0.000 0.937 656 R CB -0.996 29.399 30.300 0.160 0.000 0.863 656 R HN 0.635 nan 8.270 nan 0.000 0.435 657 E N -0.973 119.378 120.200 0.251 0.000 2.130 657 E HA -0.224 3.978 4.350 -0.247 0.000 0.196 657 E C 1.913 178.690 176.600 0.295 0.000 0.998 657 E CA 1.412 57.972 56.400 0.266 0.000 0.806 657 E CB -0.368 29.523 29.700 0.319 0.000 0.738 657 E HN 0.275 nan 8.360 nan 0.000 0.459 658 F N 2.369 122.420 119.950 0.167 0.000 2.102 658 F HA -0.193 4.186 4.527 -0.247 0.000 0.298 658 F C 1.791 177.602 175.800 0.019 0.000 1.105 658 F CA 1.594 59.611 58.000 0.028 0.000 1.239 658 F CB -0.048 38.887 39.000 -0.109 0.000 0.991 658 F HN -0.109 nan 8.300 nan 0.000 0.474 659 D N 0.070 120.570 120.400 0.167 0.000 2.178 659 D HA -0.168 4.324 4.640 -0.247 0.000 0.201 659 D C 1.622 177.922 176.300 0.000 0.000 0.980 659 D CA 1.361 55.417 54.000 0.094 0.000 0.842 659 D CB -0.469 40.457 40.800 0.210 0.000 0.948 659 D HN 0.356 nan 8.370 nan 0.000 0.472 660 D N 0.180 120.598 120.400 0.030 0.000 2.378 660 D HA -0.006 4.485 4.640 -0.247 0.000 0.222 660 D C 0.694 176.972 176.300 -0.036 0.000 0.980 660 D CA 0.253 54.262 54.000 0.015 0.000 0.907 660 D CB 0.236 41.066 40.800 0.050 0.000 0.899 660 D HN 0.258 nan 8.370 nan 0.000 0.527 661 L N 2.076 123.229 121.223 -0.116 0.000 2.334 661 L HA 0.308 4.500 4.340 -0.247 0.000 0.277 661 L C -2.053 174.705 176.870 -0.187 0.000 1.075 661 L CA -1.883 52.858 54.840 -0.165 0.000 0.804 661 L CB 1.197 43.091 42.059 -0.274 0.000 1.174 661 L HN -0.228 nan 8.230 nan 0.000 0.438 662 P HA 0.110 nan 4.420 nan 0.000 0.277 662 P C 0.588 177.812 177.300 -0.127 0.000 1.240 662 P CA -0.585 62.456 63.100 -0.099 0.000 0.798 662 P CB 1.138 32.801 31.700 -0.061 0.000 0.979 663 L N 1.838 123.024 121.223 -0.063 0.000 2.230 663 L HA -0.273 3.919 4.340 -0.247 0.000 0.217 663 L C 2.555 179.390 176.870 -0.057 0.000 1.090 663 L CA 2.771 57.612 54.840 0.002 0.000 0.771 663 L CB -1.862 40.239 42.059 0.070 0.000 0.892 663 L HN 0.464 nan 8.230 nan 0.000 0.438 664 A N -1.085 121.688 122.820 -0.078 0.000 1.935 664 A HA -0.079 4.092 4.320 -0.247 0.000 0.214 664 A C 2.257 179.757 177.584 -0.140 0.000 1.178 664 A CA 0.932 52.920 52.037 -0.081 0.000 0.640 664 A CB -0.262 18.713 19.000 -0.042 0.000 0.825 664 A HN 0.469 nan 8.150 nan 0.000 0.447 665 E N -0.192 119.912 120.200 -0.159 0.000 2.216 665 E HA -0.133 4.069 4.350 -0.247 0.000 0.192 665 E C 2.132 178.557 176.600 -0.293 0.000 0.988 665 E CA 0.771 57.069 56.400 -0.170 0.000 0.834 665 E CB -0.096 29.527 29.700 -0.128 0.000 0.772 665 E HN 0.687 nan 8.360 nan 0.000 0.479 666 Q N 0.530 120.050 119.800 -0.466 0.000 2.079 666 Q HA -0.143 4.048 4.340 -0.247 0.000 0.200 666 Q C 2.264 177.792 176.000 -0.786 0.000 0.974 666 Q CA 0.974 56.344 55.803 -0.722 0.000 0.840 666 Q CB -0.152 28.038 28.738 -0.913 0.000 0.898 666 Q HN 0.134 nan 8.270 nan 0.000 0.430 667 R N 1.093 120.959 120.500 -1.057 0.000 2.080 667 R HA -0.226 3.965 4.340 -0.247 0.000 0.236 667 R C 2.026 178.249 176.300 -0.129 0.000 1.137 667 R CA 1.799 57.411 56.100 -0.813 0.000 0.943 667 R CB -0.057 30.016 30.300 -0.378 0.000 0.846 667 R HN 0.097 nan 8.270 nan 0.000 0.431 668 E N 0.241 120.393 120.200 -0.080 0.000 2.058 668 E HA -0.169 4.033 4.350 -0.247 0.000 0.194 668 E C 1.769 178.379 176.600 0.016 0.000 0.997 668 E CA 1.873 58.297 56.400 0.041 0.000 0.801 668 E CB -0.286 29.415 29.700 0.001 0.000 0.746 668 E HN 0.494 nan 8.360 nan 0.000 0.450 669 A N -0.374 122.411 122.820 -0.058 0.000 1.978 669 A HA -0.213 3.959 4.320 -0.247 0.000 0.220 669 A C 2.436 180.067 177.584 0.079 0.000 1.170 669 A CA 1.535 53.539 52.037 -0.055 0.000 0.636 669 A CB -0.882 17.906 19.000 -0.354 0.000 0.810 669 A HN 0.501 nan 8.150 nan 0.000 0.448 670 C N -0.314 119.078 119.300 0.153 0.000 2.448 670 C HA -0.021 4.291 4.460 -0.247 0.000 0.280 670 C C 2.747 177.851 174.990 0.189 0.000 1.398 670 C CA 0.862 60.038 59.018 0.263 0.000 1.774 670 C CB -1.293 26.629 27.740 0.304 0.000 1.888 670 C HN 0.785 nan 8.230 nan 0.000 0.519 671 R N 1.878 122.436 120.500 0.097 0.000 2.200 671 R HA -0.021 4.170 4.340 -0.247 0.000 0.208 671 R C 1.994 178.269 176.300 -0.042 0.000 1.033 671 R CA 1.166 57.217 56.100 -0.082 0.000 1.000 671 R CB -0.398 29.604 30.300 -0.497 0.000 0.906 671 R HN 0.649 nan 8.270 nan 0.000 0.462 672 R N 0.511 121.024 120.500 0.022 0.000 2.250 672 R HA 0.362 4.554 4.340 -0.247 0.000 0.194 672 R C 0.537 176.895 176.300 0.096 0.000 0.927 672 R CA 0.306 56.435 56.100 0.048 0.000 1.052 672 R CB 0.145 30.478 30.300 0.054 0.000 1.055 672 R HN 0.073 nan 8.270 nan 0.000 0.537 673 A N 0.762 123.649 122.820 0.112 0.000 2.483 673 A HA 0.273 4.445 4.320 -0.247 0.000 0.238 673 A C 0.367 177.962 177.584 0.019 0.000 1.070 673 A CA -0.193 51.880 52.037 0.059 0.000 0.770 673 A CB 0.385 19.299 19.000 -0.143 0.000 1.008 673 A HN 0.560 nan 8.150 nan 0.000 0.497 674 C N 0.214 119.507 119.300 -0.012 0.000 3.911 674 C HA 0.377 4.688 4.460 -0.247 0.000 0.318 674 C C 0.224 175.088 174.990 -0.210 0.000 1.643 674 C CA -0.295 58.651 59.018 -0.121 0.000 1.845 674 C CB -1.145 26.443 27.740 -0.252 0.000 2.981 674 C HN 0.879 nan 8.230 nan 0.000 0.656 675 C N 1.671 120.863 119.300 -0.180 0.000 2.620 675 C HA 0.693 5.005 4.460 -0.247 0.000 0.356 675 C C -1.578 173.257 174.990 -0.258 0.000 1.082 675 C CA -0.391 58.546 59.018 -0.135 0.000 1.293 675 C CB -0.821 26.943 27.740 0.040 0.000 1.836 675 C HN 0.410 nan 8.230 nan 0.000 0.453 676 F N 4.670 124.647 119.950 0.046 0.000 2.402 676 F HA 0.686 5.065 4.527 -0.247 0.000 0.355 676 F C 0.618 176.441 175.800 0.039 0.000 1.123 676 F CA -0.079 57.942 58.000 0.035 0.000 1.021 676 F CB 1.695 40.663 39.000 -0.054 0.000 1.160 676 F HN 0.805 nan 8.300 nan 0.000 0.451 677 A N 3.581 126.537 122.820 0.227 0.000 2.340 677 A HA 0.789 4.961 4.320 -0.247 0.000 0.331 677 A C 0.024 177.713 177.584 0.175 0.000 1.140 677 A CA -0.853 51.281 52.037 0.161 0.000 0.801 677 A CB 0.840 19.908 19.000 0.113 0.000 1.234 677 A HN 0.720 nan 8.150 nan 0.000 0.469 678 R N -0.058 120.525 120.500 0.137 0.000 3.127 678 R HA -0.127 4.065 4.340 -0.247 0.000 0.247 678 R C -0.562 175.837 176.300 0.165 0.000 0.896 678 R CA 0.419 56.598 56.100 0.131 0.000 0.624 678 R CB -2.654 27.723 30.300 0.128 0.000 1.154 678 R HN 0.522 nan 8.270 nan 0.000 0.474 679 V N 1.844 121.852 119.914 0.157 0.000 2.649 679 V HA 0.098 4.070 4.120 -0.247 0.000 0.292 679 V C 1.279 177.421 176.094 0.080 0.000 1.055 679 V CA -0.286 62.141 62.300 0.211 0.000 1.023 679 V CB 1.592 33.496 31.823 0.135 0.000 0.992 679 V HN 0.201 nan 8.190 nan 0.000 0.480 680 E N 6.150 126.299 120.200 -0.085 0.000 2.371 680 E HA 0.181 4.382 4.350 -0.247 0.000 0.257 680 E C -1.453 174.959 176.600 -0.313 0.000 1.134 680 E CA -1.808 54.363 56.400 -0.383 0.000 0.919 680 E CB 0.312 29.536 29.700 -0.793 0.000 1.025 680 E HN 0.409 nan 8.360 nan 0.000 0.438 681 P HA -0.123 nan 4.420 nan 0.000 0.218 681 P C 0.912 178.129 177.300 -0.139 0.000 1.148 681 P CA 1.240 64.251 63.100 -0.149 0.000 0.822 681 P CB 0.355 31.978 31.700 -0.129 0.000 0.784 682 S N -1.943 113.646 115.700 -0.185 0.000 2.573 682 S HA 0.112 4.434 4.470 -0.247 0.000 0.244 682 S C 1.114 175.718 174.600 0.006 0.000 0.984 682 S CA -0.460 57.686 58.200 -0.090 0.000 1.001 682 S CB -1.087 62.078 63.200 -0.059 0.000 0.788 682 S HN 0.224 nan 8.310 nan 0.000 0.456 683 H N 0.178 119.203 119.070 -0.075 0.000 2.439 683 H HA 0.261 4.669 4.556 -0.247 0.000 0.299 683 H C 1.997 177.191 175.328 -0.223 0.000 1.033 683 H CA 0.214 56.165 56.048 -0.162 0.000 1.348 683 H CB 0.260 29.859 29.762 -0.271 0.000 1.449 683 H HN 0.281 nan 8.280 nan 0.000 0.544 684 K N 0.579 120.949 120.400 -0.050 0.000 2.113 684 K HA -0.143 4.029 4.320 -0.247 0.000 0.208 684 K C 2.284 178.841 176.600 -0.071 0.000 1.047 684 K CA 1.391 57.625 56.287 -0.089 0.000 0.928 684 K CB -0.103 32.364 32.500 -0.055 0.000 0.716 684 K HN 0.053 nan 8.250 nan 0.000 0.446 685 S N 0.727 116.400 115.700 -0.046 0.000 2.368 685 S HA -0.082 4.239 4.470 -0.247 0.000 0.224 685 S C 1.708 176.268 174.600 -0.066 0.000 1.029 685 S CA 1.174 59.345 58.200 -0.048 0.000 0.988 685 S CB 0.054 63.229 63.200 -0.041 0.000 0.838 685 S HN 0.254 nan 8.310 nan 0.000 0.462 686 K N 0.707 121.081 120.400 -0.043 0.000 2.057 686 K HA 0.005 4.176 4.320 -0.247 0.000 0.207 686 K C 1.954 178.524 176.600 -0.051 0.000 1.049 686 K CA 1.179 57.417 56.287 -0.082 0.000 0.931 686 K CB -0.319 32.252 32.500 0.118 0.000 0.714 686 K HN 0.366 nan 8.250 nan 0.000 0.440 687 I N 0.767 121.308 120.570 -0.047 0.000 2.226 687 I HA -0.264 3.757 4.170 -0.247 0.000 0.245 687 I C 2.257 178.395 176.117 0.034 0.000 1.100 687 I CA 1.009 62.290 61.300 -0.032 0.000 1.374 687 I CB -0.246 37.573 38.000 -0.302 0.000 1.057 687 I HN -0.064 nan 8.210 nan 0.000 0.413 688 V N 0.873 120.777 119.914 -0.016 0.000 2.343 688 V HA -0.297 3.675 4.120 -0.247 0.000 0.247 688 V C 2.491 178.587 176.094 0.003 0.000 1.051 688 V CA 2.204 64.506 62.300 0.003 0.000 1.036 688 V CB -0.568 31.245 31.823 -0.016 0.000 0.654 688 V HN 0.506 nan 8.190 nan 0.000 0.451 689 E N -0.592 119.573 120.200 -0.058 0.000 2.031 689 E HA -0.255 3.946 4.350 -0.247 0.000 0.193 689 E C 2.198 178.761 176.600 -0.061 0.000 0.994 689 E CA 1.806 58.138 56.400 -0.113 0.000 0.800 689 E CB -0.300 29.252 29.700 -0.246 0.000 0.752 689 E HN 0.642 nan 8.360 nan 0.000 0.447 690 Y N 0.003 120.318 120.300 0.025 0.000 2.224 690 Y HA -0.153 4.249 4.550 -0.247 0.000 0.289 690 Y C 2.106 178.056 175.900 0.083 0.000 1.146 690 Y CA 0.711 58.832 58.100 0.035 0.000 1.182 690 Y CB -0.381 38.141 38.460 0.104 0.000 0.983 690 Y HN 0.173 nan 8.280 nan 0.000 0.524 691 L N 0.004 121.389 121.223 0.269 0.000 2.046 691 L HA -0.222 3.970 4.340 -0.247 0.000 0.208 691 L C 2.119 179.101 176.870 0.187 0.000 1.077 691 L CA 1.769 56.759 54.840 0.250 0.000 0.747 691 L CB -1.155 41.003 42.059 0.165 0.000 0.896 691 L HN 0.286 nan 8.230 nan 0.000 0.432 692 Q N -1.464 118.395 119.800 0.099 0.000 2.369 692 Q HA -0.100 4.092 4.340 -0.247 0.000 0.206 692 Q C 1.995 178.011 176.000 0.026 0.000 0.963 692 Q CA 1.157 56.993 55.803 0.055 0.000 0.894 692 Q CB -0.168 28.580 28.738 0.017 0.000 0.965 692 Q HN 0.600 nan 8.270 nan 0.000 0.475 693 S N -0.835 114.857 115.700 -0.014 0.000 2.607 693 S HA -0.057 4.264 4.470 -0.247 0.000 0.224 693 S C 0.605 175.056 174.600 -0.248 0.000 0.969 693 S CA 0.237 58.353 58.200 -0.139 0.000 0.927 693 S CB 0.077 63.161 63.200 -0.192 0.000 0.772 693 S HN 0.348 nan 8.310 nan 0.000 0.533 694 Y N 1.551 121.887 120.300 0.061 0.000 2.706 694 Y HA 0.321 4.723 4.550 -0.247 0.000 0.255 694 Y C 0.210 176.132 175.900 0.036 0.000 1.163 694 Y CA -1.285 56.844 58.100 0.048 0.000 1.174 694 Y CB 0.003 38.495 38.460 0.054 0.000 1.200 694 Y HN 0.184 nan 8.280 nan 0.000 0.544 695 D N 0.008 120.487 120.400 0.131 0.000 3.039 695 D HA -0.232 4.260 4.640 -0.247 0.000 0.222 695 D C -0.295 176.053 176.300 0.080 0.000 1.179 695 D CA 0.897 54.948 54.000 0.084 0.000 0.880 695 D CB -0.784 40.059 40.800 0.072 0.000 1.115 695 D HN 0.513 nan 8.370 nan 0.000 0.416 696 E N -0.067 120.196 120.200 0.106 0.000 2.289 696 E HA 0.252 4.454 4.350 -0.247 0.000 0.278 696 E C 0.433 177.063 176.600 0.051 0.000 1.032 696 E CA -0.644 55.803 56.400 0.079 0.000 0.854 696 E CB 0.835 30.595 29.700 0.101 0.000 1.046 696 E HN 0.031 nan 8.360 nan 0.000 0.409 697 I N 3.433 124.019 120.570 0.027 0.000 2.406 697 I HA -0.005 4.017 4.170 -0.247 0.000 0.293 697 I C 0.253 176.381 176.117 0.018 0.000 1.101 697 I CA 0.439 61.746 61.300 0.011 0.000 1.334 697 I CB 0.275 38.268 38.000 -0.012 0.000 1.421 697 I HN 0.285 nan 8.210 nan 0.000 0.513 698 T N 5.935 120.503 114.554 0.023 0.000 2.837 698 T HA 0.748 4.950 4.350 -0.247 0.000 0.285 698 T C 0.064 174.775 174.700 0.018 0.000 0.984 698 T CA -0.674 61.444 62.100 0.029 0.000 1.049 698 T CB 1.364 70.255 68.868 0.039 0.000 0.947 698 T HN 0.618 nan 8.240 nan 0.000 0.472 699 A N 3.387 126.221 122.820 0.022 0.000 2.318 699 A HA 0.823 4.995 4.320 -0.247 0.000 0.324 699 A C -0.533 177.069 177.584 0.030 0.000 1.170 699 A CA -0.795 51.252 52.037 0.016 0.000 0.810 699 A CB 0.928 19.932 19.000 0.008 0.000 1.198 699 A HN 0.771 nan 8.150 nan 0.000 0.484 700 M N 2.586 122.199 119.600 0.022 0.000 2.386 700 M HA 0.562 4.893 4.480 -0.247 0.000 0.293 700 M C -0.047 176.268 176.300 0.024 0.000 1.120 700 M CA -0.037 55.278 55.300 0.026 0.000 0.909 700 M CB 2.153 34.760 32.600 0.011 0.000 1.661 700 M HN 0.831 nan 8.290 nan 0.000 0.452 701 T N 1.195 115.771 114.554 0.036 0.000 2.944 701 T HA 1.041 5.243 4.350 -0.247 0.000 0.284 701 T C 0.114 174.827 174.700 0.022 0.000 1.010 701 T CA -0.027 62.093 62.100 0.035 0.000 1.025 701 T CB 1.558 70.461 68.868 0.058 0.000 1.079 701 T HN 1.399 nan 8.240 nan 0.000 0.516 702 G N 0.733 109.544 108.800 0.018 0.000 2.337 702 G HA2 0.457 4.269 3.960 -0.247 0.000 0.298 702 G HA3 0.457 4.269 3.960 -0.247 0.000 0.298 702 G C -2.133 172.771 174.900 0.008 0.000 1.335 702 G CA -0.104 45.002 45.100 0.010 0.000 0.875 702 G HN 1.188 nan 8.290 nan 0.000 0.579 703 D N -1.739 118.662 120.400 0.002 0.000 2.759 703 D HA 0.773 5.265 4.640 -0.247 0.000 0.321 703 D C 0.633 176.929 176.300 -0.007 0.000 1.267 703 D CA 0.692 54.694 54.000 0.003 0.000 0.933 703 D CB 0.856 41.660 40.800 0.006 0.000 1.431 703 D HN 2.263 nan 8.370 nan 0.000 0.504 704 G N -1.443 107.355 108.800 -0.004 0.000 2.880 704 G HA2 -0.048 3.764 3.960 -0.247 0.000 0.617 704 G HA3 -0.048 3.764 3.960 -0.247 0.000 0.617 704 G C 1.031 175.925 174.900 -0.009 0.000 1.493 704 G CA 0.764 45.850 45.100 -0.022 0.000 0.916 704 G HN 1.439 nan 8.290 nan 0.000 0.553 705 V N -1.938 117.965 119.914 -0.018 0.000 2.626 705 V HA -0.147 3.825 4.120 -0.247 0.000 0.252 705 V C 2.410 178.487 176.094 -0.028 0.000 1.067 705 V CA 2.281 64.583 62.300 0.004 0.000 1.081 705 V CB -0.552 31.277 31.823 0.009 0.000 0.686 705 V HN 0.687 nan 8.190 nan 0.000 0.468 706 N N 1.440 120.105 118.700 -0.057 0.000 2.149 706 N HA -0.164 4.427 4.740 -0.247 0.000 0.188 706 N C 1.393 176.875 175.510 -0.045 0.000 1.019 706 N CA 1.976 54.986 53.050 -0.067 0.000 0.857 706 N CB -0.399 38.039 38.487 -0.083 0.000 0.997 706 N HN 0.600 nan 8.380 nan 0.000 0.426 707 D N 0.160 120.541 120.400 -0.031 0.000 2.350 707 D HA 0.171 4.662 4.640 -0.247 0.000 0.213 707 D C 1.686 177.977 176.300 -0.015 0.000 1.031 707 D CA 0.085 54.071 54.000 -0.023 0.000 0.861 707 D CB 0.020 40.810 40.800 -0.016 0.000 0.926 707 D HN 0.124 nan 8.370 nan 0.000 0.520 708 A N 2.163 124.978 122.820 -0.008 0.000 1.873 708 A HA -0.163 4.009 4.320 -0.247 0.000 0.218 708 A C -0.200 177.378 177.584 -0.009 0.000 1.193 708 A CA 1.479 53.515 52.037 -0.002 0.000 0.629 708 A CB -1.528 17.477 19.000 0.009 0.000 0.826 708 A HN 0.173 nan 8.150 nan 0.000 0.447 709 P HA -0.197 nan 4.420 nan 0.000 0.213 709 P C 1.826 179.114 177.300 -0.021 0.000 1.170 709 P CA 2.255 65.343 63.100 -0.019 0.000 0.902 709 P CB -0.194 31.491 31.700 -0.025 0.000 0.789 710 A N -0.825 121.980 122.820 -0.024 0.000 1.902 710 A HA -0.178 3.994 4.320 -0.247 0.000 0.217 710 A C 2.270 179.844 177.584 -0.017 0.000 1.181 710 A CA 1.508 53.531 52.037 -0.024 0.000 0.623 710 A CB -1.692 17.291 19.000 -0.028 0.000 0.818 710 A HN 0.101 nan 8.150 nan 0.000 0.443 711 L N -0.829 120.386 121.223 -0.012 0.000 2.046 711 L HA -0.202 3.989 4.340 -0.247 0.000 0.208 711 L C 2.671 179.535 176.870 -0.010 0.000 1.077 711 L CA 1.965 56.800 54.840 -0.008 0.000 0.747 711 L CB -0.464 41.592 42.059 -0.004 0.000 0.896 711 L HN 0.481 nan 8.230 nan 0.000 0.432 712 K N 0.670 121.063 120.400 -0.012 0.000 2.057 712 K HA -0.243 3.929 4.320 -0.247 0.000 0.207 712 K C 2.247 178.838 176.600 -0.015 0.000 1.049 712 K CA 1.519 57.798 56.287 -0.013 0.000 0.931 712 K CB 0.053 32.545 32.500 -0.014 0.000 0.714 712 K HN 0.106 nan 8.250 nan 0.000 0.440 713 K N 0.537 120.926 120.400 -0.017 0.000 2.001 713 K HA -0.039 4.133 4.320 -0.247 0.000 0.208 713 K C 0.482 177.073 176.600 -0.015 0.000 1.048 713 K CA 0.868 57.143 56.287 -0.019 0.000 0.932 713 K CB -0.272 32.212 32.500 -0.027 0.000 0.715 713 K HN 0.206 nan 8.250 nan 0.000 0.437 714 A N 1.390 124.204 122.820 -0.011 0.000 2.536 714 A HA -0.079 4.093 4.320 -0.247 0.000 0.234 714 A C 0.701 178.281 177.584 -0.006 0.000 1.076 714 A CA 0.225 52.259 52.037 -0.005 0.000 0.769 714 A CB 0.142 19.142 19.000 -0.000 0.000 1.020 714 A HN 0.466 nan 8.150 nan 0.000 0.508 715 E N -0.360 119.838 120.200 -0.004 0.000 2.106 715 E HA -0.025 4.177 4.350 -0.247 0.000 0.192 715 E C -0.286 176.308 176.600 -0.011 0.000 0.984 715 E CA 1.224 57.619 56.400 -0.008 0.000 0.806 715 E CB -0.091 29.604 29.700 -0.010 0.000 0.750 715 E HN 0.539 nan 8.360 nan 0.000 0.458 716 I N 0.223 120.788 120.570 -0.009 0.000 2.668 716 I HA 0.278 4.300 4.170 -0.247 0.000 0.276 716 I C 0.214 176.327 176.117 -0.006 0.000 1.139 716 I CA -0.471 60.823 61.300 -0.011 0.000 1.133 716 I CB 1.439 39.429 38.000 -0.015 0.000 1.327 716 I HN -0.143 nan 8.210 nan 0.000 0.520 717 G N 5.721 114.517 108.800 -0.006 0.000 2.406 717 G HA2 0.579 4.391 3.960 -0.247 0.000 0.251 717 G HA3 0.579 4.391 3.960 -0.247 0.000 0.251 717 G C -0.234 174.664 174.900 -0.002 0.000 1.271 717 G CA -0.131 44.968 45.100 -0.003 0.000 0.859 717 G HN 0.449 nan 8.290 nan 0.000 0.540 718 I N 1.434 122.006 120.570 0.003 0.000 2.465 718 I HA 0.559 4.581 4.170 -0.247 0.000 0.291 718 I C 0.390 176.512 176.117 0.008 0.000 1.014 718 I CA -0.803 60.498 61.300 0.003 0.000 1.093 718 I CB 2.123 40.125 38.000 0.003 0.000 1.267 718 I HN 0.583 nan 8.210 nan 0.000 0.431 719 A N 6.899 129.723 122.820 0.006 0.000 2.350 719 A HA 0.896 5.068 4.320 -0.247 0.000 0.318 719 A C -0.454 177.138 177.584 0.012 0.000 1.132 719 A CA -0.758 51.285 52.037 0.010 0.000 0.811 719 A CB 1.414 20.419 19.000 0.009 0.000 1.313 719 A HN 0.582 nan 8.150 nan 0.000 0.454 720 M N 1.161 120.771 119.600 0.016 0.000 2.274 720 M HA 0.277 4.609 4.480 -0.247 0.000 0.344 720 M C 1.514 177.823 176.300 0.014 0.000 1.161 720 M CA -0.334 54.976 55.300 0.017 0.000 1.126 720 M CB 0.388 33.000 32.600 0.020 0.000 1.522 720 M HN 0.890 nan 8.290 nan 0.000 0.461 721 G N 0.951 109.758 108.800 0.012 0.000 2.432 721 G HA2 -0.151 3.661 3.960 -0.247 0.000 0.219 721 G HA3 -0.151 3.661 3.960 -0.247 0.000 0.219 721 G C 1.128 176.036 174.900 0.013 0.000 1.135 721 G CA 1.065 46.171 45.100 0.011 0.000 0.767 721 G HN 0.753 nan 8.290 nan 0.000 0.550 722 S N 0.210 115.919 115.700 0.014 0.000 2.710 722 S HA 0.463 4.785 4.470 -0.247 0.000 0.224 722 S C 1.089 175.699 174.600 0.016 0.000 0.948 722 S CA 0.077 58.286 58.200 0.015 0.000 0.949 722 S CB 0.206 63.415 63.200 0.015 0.000 0.778 722 S HN 0.445 nan 8.310 nan 0.000 0.498 723 G N 1.380 110.190 108.800 0.017 0.000 2.535 723 G HA2 0.501 4.313 3.960 -0.247 0.000 0.303 723 G HA3 0.501 4.313 3.960 -0.247 0.000 0.303 723 G C -0.001 174.915 174.900 0.027 0.000 1.237 723 G CA -0.304 44.807 45.100 0.019 0.000 0.986 723 G HN 0.450 nan 8.290 nan 0.000 0.494 724 T N -2.596 111.979 114.554 0.034 0.000 2.898 724 T HA 0.419 4.620 4.350 -0.247 0.000 0.301 724 T C 1.703 176.446 174.700 0.073 0.000 1.049 724 T CA 0.448 62.586 62.100 0.064 0.000 1.095 724 T CB 1.387 70.303 68.868 0.079 0.000 0.976 724 T HN 0.932 nan 8.240 nan 0.000 0.539 725 A N 2.055 124.932 122.820 0.094 0.000 1.940 725 A HA -0.013 4.159 4.320 -0.247 0.000 0.219 725 A C 2.372 179.982 177.584 0.043 0.000 1.176 725 A CA 1.665 53.735 52.037 0.055 0.000 0.631 725 A CB -1.132 17.890 19.000 0.037 0.000 0.814 725 A HN 0.762 nan 8.150 nan 0.000 0.446 726 V N -0.447 119.525 119.914 0.096 0.000 2.358 726 V HA -0.196 3.775 4.120 -0.247 0.000 0.246 726 V C 3.046 179.168 176.094 0.047 0.000 1.047 726 V CA 1.781 64.123 62.300 0.070 0.000 1.035 726 V CB -1.035 30.891 31.823 0.173 0.000 0.658 726 V HN 0.624 nan 8.190 nan 0.000 0.452 727 A N -0.190 122.662 122.820 0.052 0.000 1.908 727 A HA -0.258 3.914 4.320 -0.247 0.000 0.218 727 A C 2.259 179.853 177.584 0.016 0.000 1.181 727 A CA 2.041 54.095 52.037 0.028 0.000 0.627 727 A CB -0.422 18.593 19.000 0.024 0.000 0.818 727 A HN 0.560 nan 8.150 nan 0.000 0.445 728 K N -0.614 119.796 120.400 0.016 0.000 2.002 728 K HA -0.142 4.030 4.320 -0.247 0.000 0.209 728 K C 2.239 178.837 176.600 -0.003 0.000 1.048 728 K CA 1.934 58.225 56.287 0.006 0.000 0.930 728 K CB -0.646 31.858 32.500 0.007 0.000 0.714 728 K HN 0.715 nan 8.250 nan 0.000 0.438 729 T N -0.898 113.652 114.554 -0.007 0.000 2.929 729 T HA -0.030 4.172 4.350 -0.247 0.000 0.271 729 T C 1.828 176.518 174.700 -0.016 0.000 1.085 729 T CA 1.036 63.125 62.100 -0.018 0.000 1.125 729 T CB -0.106 68.744 68.868 -0.029 0.000 0.874 729 T HN 0.184 nan 8.240 nan 0.000 0.494 730 A N 1.239 124.054 122.820 -0.008 0.000 2.275 730 A HA 0.468 4.640 4.320 -0.247 0.000 0.212 730 A C 1.409 178.988 177.584 -0.008 0.000 1.201 730 A CA 0.140 52.172 52.037 -0.008 0.000 0.843 730 A CB -0.219 18.779 19.000 -0.002 0.000 0.873 730 A HN 0.679 nan 8.150 nan 0.000 0.492 731 S N -1.333 114.362 115.700 -0.007 0.000 2.621 731 S HA 0.545 4.867 4.470 -0.247 0.000 0.302 731 S C 0.194 174.788 174.600 -0.010 0.000 1.093 731 S CA -0.458 57.737 58.200 -0.007 0.000 1.017 731 S CB 1.545 64.743 63.200 -0.003 0.000 1.077 731 S HN 0.086 nan 8.310 nan 0.000 0.517 732 E N 0.687 120.881 120.200 -0.010 0.000 2.170 732 E HA 0.278 4.479 4.350 -0.247 0.000 0.191 732 E C 0.119 176.713 176.600 -0.010 0.000 0.981 732 E CA 0.961 57.354 56.400 -0.011 0.000 0.830 732 E CB 0.063 29.756 29.700 -0.012 0.000 0.775 732 E HN 0.626 nan 8.360 nan 0.000 0.470 733 M N 0.149 119.743 119.600 -0.010 0.000 2.446 733 M HA 0.362 4.694 4.480 -0.247 0.000 0.294 733 M C -1.508 174.787 176.300 -0.008 0.000 1.158 733 M CA -0.834 54.459 55.300 -0.011 0.000 0.899 733 M CB 2.609 35.199 32.600 -0.017 0.000 1.687 733 M HN -0.309 nan 8.290 nan 0.000 0.455 734 V N 4.267 124.177 119.914 -0.007 0.000 2.555 734 V HA 0.474 4.446 4.120 -0.247 0.000 0.302 734 V C -0.501 175.590 176.094 -0.005 0.000 1.038 734 V CA -0.728 61.570 62.300 -0.003 0.000 0.887 734 V CB 2.064 33.886 31.823 -0.001 0.000 0.991 734 V HN 0.708 nan 8.190 nan 0.000 0.434 735 L N 4.105 125.327 121.223 -0.001 0.000 2.288 735 L HA 0.396 4.588 4.340 -0.247 0.000 0.283 735 L C 1.597 178.469 176.870 0.003 0.000 1.072 735 L CA -0.340 54.498 54.840 -0.002 0.000 0.862 735 L CB 0.947 43.007 42.059 0.002 0.000 1.245 735 L HN 0.858 nan 8.230 nan 0.000 0.432 736 A N 2.589 125.409 122.820 0.000 0.000 1.958 736 A HA -0.236 3.936 4.320 -0.247 0.000 0.221 736 A C 1.645 179.232 177.584 0.006 0.000 1.178 736 A CA 2.232 54.271 52.037 0.003 0.000 0.642 736 A CB -0.302 18.698 19.000 0.000 0.000 0.816 736 A HN 0.866 nan 8.150 nan 0.000 0.453 737 D N -3.012 117.391 120.400 0.006 0.000 2.369 737 D HA 0.162 4.654 4.640 -0.247 0.000 0.211 737 D C -0.166 176.145 176.300 0.018 0.000 1.077 737 D CA 0.633 54.639 54.000 0.011 0.000 0.842 737 D CB -0.200 40.605 40.800 0.009 0.000 0.947 737 D HN 0.308 nan 8.370 nan 0.000 0.509 738 D N -0.585 119.826 120.400 0.019 0.000 2.978 738 D HA -0.212 4.280 4.640 -0.247 0.000 0.205 738 D C -0.175 176.154 176.300 0.047 0.000 1.093 738 D CA 0.808 54.826 54.000 0.030 0.000 1.006 738 D CB -1.606 39.212 40.800 0.030 0.000 1.116 738 D HN 0.338 nan 8.370 nan 0.000 0.419 739 N N 0.044 118.770 118.700 0.043 0.000 2.442 739 N HA 0.061 4.653 4.740 -0.247 0.000 0.265 739 N C 0.892 176.453 175.510 0.085 0.000 1.138 739 N CA -0.058 53.032 53.050 0.067 0.000 0.956 739 N CB 0.152 38.665 38.487 0.042 0.000 1.067 739 N HN 0.065 nan 8.380 nan 0.000 0.474 740 F N 3.975 123.921 119.950 -0.006 0.000 2.154 740 F HA -0.283 4.096 4.527 -0.246 0.000 0.301 740 F C 2.353 178.148 175.800 -0.008 0.000 1.087 740 F CA 2.157 60.152 58.000 -0.008 0.000 1.274 740 F CB -0.375 38.618 39.000 -0.011 0.000 1.009 740 F HN 0.624 nan 8.300 nan 0.000 0.485 741 S N -1.267 114.418 115.700 -0.025 0.000 2.440 741 S HA -0.202 4.120 4.470 -0.247 0.000 0.238 741 S C 1.852 176.344 174.600 -0.180 0.000 1.010 741 S CA 1.564 59.685 58.200 -0.131 0.000 0.972 741 S CB -1.280 61.934 63.200 0.023 0.000 0.774 741 S HN 0.505 nan 8.310 nan 0.000 0.501 742 T N 2.869 117.342 114.554 -0.135 0.000 2.777 742 T HA 0.099 4.301 4.350 -0.247 0.000 0.266 742 T C 1.672 176.276 174.700 -0.160 0.000 1.040 742 T CA 1.469 63.504 62.100 -0.108 0.000 1.141 742 T CB -0.500 68.331 68.868 -0.063 0.000 0.868 742 T HN 0.454 nan 8.240 nan 0.000 0.444 743 I N 0.995 121.420 120.570 -0.243 0.000 2.118 743 I HA -0.221 3.800 4.170 -0.247 0.000 0.241 743 I C 2.490 178.455 176.117 -0.254 0.000 1.070 743 I CA 1.188 62.335 61.300 -0.256 0.000 1.327 743 I CB -0.764 37.017 38.000 -0.367 0.000 1.034 743 I HN 0.086 nan 8.210 nan 0.000 0.405 744 V N 1.161 120.857 119.914 -0.363 0.000 2.255 744 V HA -0.349 3.623 4.120 -0.247 0.000 0.247 744 V C 2.756 178.766 176.094 -0.140 0.000 1.051 744 V CA 2.183 64.334 62.300 -0.248 0.000 1.018 744 V CB -1.236 30.435 31.823 -0.254 0.000 0.641 744 V HN 0.552 nan 8.190 nan 0.000 0.445 745 A N -0.171 122.575 122.820 -0.124 0.000 1.978 745 A HA -0.130 4.042 4.320 -0.247 0.000 0.220 745 A C 2.348 179.894 177.584 -0.063 0.000 1.170 745 A CA 2.237 54.229 52.037 -0.075 0.000 0.636 745 A CB -0.677 18.286 19.000 -0.062 0.000 0.810 745 A HN 0.621 nan 8.150 nan 0.000 0.448 746 A N -0.917 121.858 122.820 -0.076 0.000 1.970 746 A HA 0.160 4.332 4.320 -0.247 0.000 0.216 746 A C 2.150 179.704 177.584 -0.050 0.000 1.170 746 A CA 1.319 53.323 52.037 -0.056 0.000 0.645 746 A CB -0.608 18.357 19.000 -0.058 0.000 0.816 746 A HN 0.325 nan 8.150 nan 0.000 0.447 747 V N 0.227 120.101 119.914 -0.066 0.000 2.343 747 V HA -0.271 3.700 4.120 -0.247 0.000 0.247 747 V C 2.522 178.595 176.094 -0.036 0.000 1.051 747 V CA 2.377 64.645 62.300 -0.053 0.000 1.036 747 V CB -0.612 31.172 31.823 -0.064 0.000 0.654 747 V HN 0.831 nan 8.190 nan 0.000 0.451 748 E N 0.454 120.631 120.200 -0.037 0.000 2.031 748 E HA -0.308 3.894 4.350 -0.247 0.000 0.193 748 E C 2.163 178.756 176.600 -0.011 0.000 0.994 748 E CA 1.746 58.133 56.400 -0.022 0.000 0.800 748 E CB -0.230 29.456 29.700 -0.024 0.000 0.752 748 E HN 0.551 nan 8.360 nan 0.000 0.447 749 E N 0.030 120.221 120.200 -0.015 0.000 2.097 749 E HA -0.168 4.033 4.350 -0.247 0.000 0.196 749 E C 1.910 178.514 176.600 0.007 0.000 1.000 749 E CA 1.855 58.253 56.400 -0.005 0.000 0.804 749 E CB -0.894 28.799 29.700 -0.010 0.000 0.740 749 E HN 0.405 nan 8.360 nan 0.000 0.454 750 G N -0.101 108.700 108.800 0.001 0.000 2.432 750 G HA2 -0.294 3.518 3.960 -0.247 0.000 0.219 750 G HA3 -0.294 3.518 3.960 -0.247 0.000 0.219 750 G C 1.686 176.605 174.900 0.031 0.000 1.135 750 G CA 0.820 45.927 45.100 0.011 0.000 0.767 750 G HN 0.219 nan 8.290 nan 0.000 0.550 751 R N 0.206 120.719 120.500 0.021 0.000 2.115 751 R HA 0.124 4.315 4.340 -0.247 0.000 0.226 751 R C 2.993 179.330 176.300 0.062 0.000 1.100 751 R CA 0.945 57.070 56.100 0.042 0.000 0.980 751 R CB -0.219 30.093 30.300 0.020 0.000 0.875 751 R HN 0.349 nan 8.270 nan 0.000 0.445 752 A N 1.257 124.099 122.820 0.036 0.000 1.930 752 A HA -0.110 4.061 4.320 -0.247 0.000 0.217 752 A C 1.989 179.589 177.584 0.026 0.000 1.175 752 A CA 1.017 53.070 52.037 0.026 0.000 0.627 752 A CB -0.249 18.762 19.000 0.017 0.000 0.815 752 A HN 0.071 nan 8.150 nan 0.000 0.443 753 I N -1.662 118.934 120.570 0.044 0.000 2.163 753 I HA -0.200 3.821 4.170 -0.247 0.000 0.240 753 I C 2.400 178.524 176.117 0.011 0.000 1.081 753 I CA 1.463 62.789 61.300 0.043 0.000 1.353 753 I CB -1.727 36.314 38.000 0.068 0.000 1.054 753 I HN 0.484 nan 8.210 nan 0.000 0.407 754 Y N 2.842 123.099 120.300 -0.073 0.000 2.128 754 Y HA -0.283 4.119 4.550 -0.246 0.000 0.284 754 Y C 2.551 178.364 175.900 -0.144 0.000 1.154 754 Y CA 1.801 59.835 58.100 -0.111 0.000 1.149 754 Y CB -0.493 37.922 38.460 -0.076 0.000 0.976 754 Y HN 0.231 nan 8.280 nan 0.000 0.505 755 N N 0.567 119.213 118.700 -0.092 0.000 2.094 755 N HA -0.210 4.382 4.740 -0.247 0.000 0.191 755 N C 1.337 176.687 175.510 -0.266 0.000 1.023 755 N CA 1.722 54.673 53.050 -0.165 0.000 0.857 755 N CB -0.625 37.832 38.487 -0.050 0.000 1.013 755 N HN 0.450 nan 8.380 nan 0.000 0.426 756 N N 0.565 119.131 118.700 -0.222 0.000 2.216 756 N HA 0.025 4.617 4.740 -0.247 0.000 0.183 756 N C 1.811 177.009 175.510 -0.520 0.000 1.017 756 N CA 0.636 53.543 53.050 -0.238 0.000 0.861 756 N CB -0.209 38.217 38.487 -0.102 0.000 0.986 756 N HN 0.330 nan 8.380 nan 0.000 0.428 757 M N 0.523 119.694 119.600 -0.715 0.000 2.099 757 M HA -0.092 4.239 4.480 -0.247 0.000 0.262 757 M C 2.008 177.559 176.300 -1.248 0.000 1.067 757 M CA 1.178 55.622 55.300 -1.428 0.000 1.124 757 M CB -0.302 31.809 32.600 -0.815 0.000 1.353 757 M HN 0.064 nan 8.290 nan 0.000 0.410 758 K N 0.059 119.907 120.400 -0.920 0.000 2.218 758 K HA -0.236 3.936 4.320 -0.247 0.000 0.205 758 K C 1.989 178.331 176.600 -0.429 0.000 1.046 758 K CA 1.430 57.306 56.287 -0.686 0.000 0.933 758 K CB 0.122 32.229 32.500 -0.654 0.000 0.728 758 K HN 0.171 nan 8.250 nan 0.000 0.454 759 Q N -0.398 119.154 119.800 -0.412 0.000 2.089 759 Q HA -0.057 4.134 4.340 -0.247 0.000 0.195 759 Q C 1.738 177.678 176.000 -0.099 0.000 0.963 759 Q CA 1.253 56.934 55.803 -0.204 0.000 0.834 759 Q CB -0.194 28.448 28.738 -0.161 0.000 0.906 759 Q HN 0.416 nan 8.270 nan 0.000 0.452 760 F N -1.557 118.324 119.950 -0.116 0.000 2.456 760 F HA 0.154 4.539 4.527 -0.236 0.000 0.298 760 F C 1.596 177.370 175.800 -0.042 0.000 1.104 760 F CA 0.319 58.285 58.000 -0.057 0.000 1.435 760 F CB -0.849 38.085 39.000 -0.111 0.000 1.078 760 F HN -0.022 nan 8.300 nan 0.000 0.546 761 I N 0.814 121.393 120.570 0.015 0.000 2.202 761 I HA -0.187 3.835 4.170 -0.247 0.000 0.242 761 I C 2.623 178.666 176.117 -0.122 0.000 1.091 761 I CA 1.153 62.445 61.300 -0.013 0.000 1.368 761 I CB -0.398 37.470 38.000 -0.219 0.000 1.058 761 I HN 0.037 nan 8.210 nan 0.000 0.410 762 R N -0.396 120.012 120.500 -0.153 0.000 2.152 762 R HA -0.211 3.981 4.340 -0.247 0.000 0.232 762 R C 2.312 178.431 176.300 -0.302 0.000 1.117 762 R CA 1.384 57.351 56.100 -0.222 0.000 0.981 762 R CB -0.506 29.758 30.300 -0.060 0.000 0.870 762 R HN 0.383 nan 8.270 nan 0.000 0.451 763 Y N 1.531 121.696 120.300 -0.225 0.000 2.163 763 Y HA -0.146 4.252 4.550 -0.254 0.000 0.288 763 Y C 1.835 177.614 175.900 -0.202 0.000 1.136 763 Y CA 1.356 59.339 58.100 -0.195 0.000 1.147 763 Y CB -0.283 38.129 38.460 -0.080 0.000 0.987 763 Y HN -0.092 nan 8.280 nan 0.000 0.509 764 L N -0.520 120.520 121.223 -0.305 0.000 2.095 764 L HA -0.150 4.041 4.340 -0.247 0.000 0.204 764 L C 2.450 179.126 176.870 -0.324 0.000 1.080 764 L CA 1.164 55.773 54.840 -0.386 0.000 0.759 764 L CB -0.470 41.483 42.059 -0.176 0.000 0.914 764 L HN 0.211 nan 8.230 nan 0.000 0.439 765 I N -0.817 119.572 120.570 -0.302 0.000 2.361 765 I HA -0.286 3.736 4.170 -0.247 0.000 0.251 765 I C 2.838 178.774 176.117 -0.301 0.000 1.133 765 I CA 1.141 62.271 61.300 -0.283 0.000 1.413 765 I CB -0.311 37.431 38.000 -0.430 0.000 1.073 765 I HN 0.255 nan 8.210 nan 0.000 0.424 766 S N 0.941 116.366 115.700 -0.459 0.000 2.365 766 S HA -0.255 4.067 4.470 -0.247 0.000 0.225 766 S C 2.314 176.723 174.600 -0.318 0.000 1.039 766 S CA 2.303 60.191 58.200 -0.520 0.000 1.033 766 S CB -0.408 62.302 63.200 -0.816 0.000 0.887 766 S HN 0.610 nan 8.310 nan 0.000 0.447 767 S N 0.877 116.374 115.700 -0.339 0.000 2.423 767 S HA -0.056 4.266 4.470 -0.247 0.000 0.231 767 S C 1.542 176.048 174.600 -0.157 0.000 1.014 767 S CA 1.429 59.478 58.200 -0.252 0.000 0.965 767 S CB -0.940 62.056 63.200 -0.341 0.000 0.785 767 S HN 0.722 nan 8.310 nan 0.000 0.495 768 N N 0.963 119.577 118.700 -0.143 0.000 2.216 768 N HA 0.047 4.639 4.740 -0.247 0.000 0.183 768 N C 1.610 177.091 175.510 -0.048 0.000 1.017 768 N CA 1.064 54.074 53.050 -0.066 0.000 0.861 768 N CB -0.336 38.142 38.487 -0.016 0.000 0.986 768 N HN 0.206 nan 8.380 nan 0.000 0.428 769 V N 0.575 120.446 119.914 -0.073 0.000 2.255 769 V HA -0.190 3.781 4.120 -0.247 0.000 0.247 769 V C 2.371 178.442 176.094 -0.039 0.000 1.051 769 V CA 2.215 64.480 62.300 -0.059 0.000 1.018 769 V CB -1.197 30.568 31.823 -0.096 0.000 0.641 769 V HN 0.453 nan 8.190 nan 0.000 0.445 770 G N -1.125 107.647 108.800 -0.048 0.000 2.450 770 G HA2 -0.254 3.557 3.960 -0.247 0.000 0.220 770 G HA3 -0.254 3.557 3.960 -0.247 0.000 0.220 770 G C 1.469 176.367 174.900 -0.003 0.000 1.130 770 G CA 0.922 46.013 45.100 -0.016 0.000 0.760 770 G HN 0.582 nan 8.290 nan 0.000 0.557 771 E N -0.368 119.822 120.200 -0.016 0.000 2.106 771 E HA -0.051 4.150 4.350 -0.247 0.000 0.192 771 E C 2.630 179.243 176.600 0.022 0.000 0.984 771 E CA 0.680 57.081 56.400 0.000 0.000 0.806 771 E CB -0.011 29.684 29.700 -0.010 0.000 0.750 771 E HN 0.320 nan 8.360 nan 0.000 0.458 772 V N 0.531 120.457 119.914 0.020 0.000 2.667 772 V HA -0.154 3.818 4.120 -0.247 0.000 0.252 772 V C 2.096 178.246 176.094 0.093 0.000 1.065 772 V CA 0.857 63.182 62.300 0.042 0.000 1.083 772 V CB 0.134 31.964 31.823 0.012 0.000 0.692 772 V HN 0.132 nan 8.190 nan 0.000 0.468 773 V N -0.749 119.214 119.914 0.081 0.000 2.379 773 V HA -0.262 3.710 4.120 -0.247 0.000 0.245 773 V C 2.530 178.708 176.094 0.140 0.000 1.044 773 V CA 2.096 64.478 62.300 0.137 0.000 1.036 773 V CB -0.472 31.403 31.823 0.086 0.000 0.664 773 V HN 0.793 nan 8.190 nan 0.000 0.453 774 C N 0.175 119.521 119.300 0.077 0.000 2.440 774 C HA -0.101 4.210 4.460 -0.247 0.000 0.278 774 C C 2.524 177.548 174.990 0.057 0.000 1.295 774 C CA 0.597 59.647 59.018 0.053 0.000 1.738 774 C CB -0.947 26.812 27.740 0.031 0.000 1.987 774 C HN 0.503 nan 8.230 nan 0.000 0.492 775 I N 0.366 120.980 120.570 0.072 0.000 2.353 775 I HA -0.006 4.015 4.170 -0.247 0.000 0.248 775 I C 2.291 178.457 176.117 0.081 0.000 1.119 775 I CA 1.378 62.714 61.300 0.060 0.000 1.417 775 I CB -1.601 36.432 38.000 0.055 0.000 1.078 775 I HN 0.373 nan 8.210 nan 0.000 0.421 776 F N 1.838 121.788 119.950 -0.001 0.000 2.128 776 F HA -0.110 4.268 4.527 -0.249 0.000 0.295 776 F C 2.336 178.148 175.800 0.019 0.000 1.100 776 F CA 1.390 59.391 58.000 0.003 0.000 1.260 776 F CB -0.448 38.556 39.000 0.006 0.000 1.009 776 F HN -0.127 nan 8.300 nan 0.000 0.476 777 L N -0.385 120.748 121.223 -0.149 0.000 1.970 777 L HA -0.289 3.903 4.340 -0.247 0.000 0.212 777 L C 2.571 179.334 176.870 -0.178 0.000 1.071 777 L CA 2.244 56.959 54.840 -0.210 0.000 0.751 777 L CB -1.215 40.828 42.059 -0.027 0.000 0.889 777 L HN 0.194 nan 8.230 nan 0.000 0.432 778 T N -1.092 113.424 114.554 -0.063 0.000 2.946 778 T HA -0.148 4.053 4.350 -0.247 0.000 0.271 778 T C 1.460 176.169 174.700 0.014 0.000 1.104 778 T CA 1.297 63.400 62.100 0.005 0.000 1.114 778 T CB 0.046 68.941 68.868 0.046 0.000 0.867 778 T HN 0.476 nan 8.240 nan 0.000 0.513 779 A N -0.159 122.608 122.820 -0.088 0.000 1.973 779 A HA 0.648 4.820 4.320 -0.247 0.000 0.210 779 A C 2.451 179.964 177.584 -0.119 0.000 1.200 779 A CA 0.911 52.915 52.037 -0.054 0.000 0.707 779 A CB -0.654 18.276 19.000 -0.116 0.000 0.862 779 A HN 0.506 nan 8.150 nan 0.000 0.461 780 A N -0.480 122.124 122.820 -0.359 0.000 2.119 780 A HA 0.246 4.418 4.320 -0.247 0.000 0.217 780 A C 1.809 179.298 177.584 -0.159 0.000 1.153 780 A CA 0.934 52.757 52.037 -0.356 0.000 0.692 780 A CB -0.351 18.217 19.000 -0.721 0.000 0.799 780 A HN 0.429 nan 8.150 nan 0.000 0.458 781 L N -2.278 118.885 121.223 -0.100 0.000 2.556 781 L HA 0.255 4.446 4.340 -0.247 0.000 0.226 781 L C 1.665 178.553 176.870 0.029 0.000 1.089 781 L CA 0.601 55.427 54.840 -0.022 0.000 0.864 781 L CB -0.071 41.986 42.059 -0.003 0.000 1.067 781 L HN 0.510 nan 8.230 nan 0.000 0.477 782 G N 1.216 110.056 108.800 0.067 0.000 2.136 782 G HA2 -0.257 3.554 3.960 -0.247 0.000 0.242 782 G HA3 -0.257 3.554 3.960 -0.247 0.000 0.242 782 G C 0.277 175.236 174.900 0.098 0.000 0.989 782 G CA -0.012 45.147 45.100 0.099 0.000 0.682 782 G HN 0.196 nan 8.290 nan 0.000 0.522 783 L N 0.233 121.525 121.223 0.116 0.000 2.472 783 L HA 0.391 4.582 4.340 -0.247 0.000 0.260 783 L C -1.564 175.408 176.870 0.171 0.000 1.209 783 L CA -1.978 52.925 54.840 0.106 0.000 0.817 783 L CB 0.163 42.280 42.059 0.097 0.000 1.106 783 L HN -0.085 nan 8.230 nan 0.000 0.479 784 P HA 0.059 nan 4.420 nan 0.000 0.271 784 P C -0.990 176.439 177.300 0.214 0.000 1.216 784 P CA -0.375 62.852 63.100 0.212 0.000 0.776 784 P CB 0.357 32.169 31.700 0.186 0.000 0.881 785 E N 1.578 121.901 120.200 0.204 0.000 2.729 785 E HA -0.068 4.134 4.350 -0.247 0.000 0.246 785 E C 0.933 177.605 176.600 0.120 0.000 0.984 785 E CA 0.076 56.556 56.400 0.133 0.000 0.951 785 E CB 0.330 30.090 29.700 0.100 0.000 0.914 785 E HN 0.448 nan 8.360 nan 0.000 0.509 786 A N 5.014 127.892 122.820 0.096 0.000 1.930 786 A HA 0.036 4.207 4.320 -0.247 0.000 0.215 786 A C 0.768 178.374 177.584 0.036 0.000 1.176 786 A CA 0.767 52.847 52.037 0.072 0.000 0.632 786 A CB 0.284 19.322 19.000 0.063 0.000 0.819 786 A HN 0.510 nan 8.150 nan 0.000 0.445 787 L N 0.022 121.270 121.223 0.041 0.000 2.409 787 L HA 0.570 4.761 4.340 -0.247 0.000 0.262 787 L C -0.801 176.099 176.870 0.049 0.000 0.992 787 L CA -0.885 53.978 54.840 0.039 0.000 0.817 787 L CB 2.212 44.293 42.059 0.036 0.000 1.350 787 L HN 0.426 nan 8.230 nan 0.000 0.411 788 I N -1.288 119.318 120.570 0.061 0.000 2.797 788 I HA 0.540 4.561 4.170 -0.247 0.000 0.307 788 I C -1.891 174.279 176.117 0.088 0.000 1.033 788 I CA -2.182 59.158 61.300 0.067 0.000 1.071 788 I CB 1.744 39.782 38.000 0.064 0.000 1.255 788 I HN 0.313 nan 8.210 nan 0.000 0.445 789 P HA -0.229 nan 4.420 nan 0.000 0.219 789 P C 1.795 179.176 177.300 0.135 0.000 1.161 789 P CA 1.555 64.713 63.100 0.098 0.000 0.909 789 P CB -0.026 31.729 31.700 0.090 0.000 0.793 790 V N 0.015 120.012 119.914 0.139 0.000 2.392 790 V HA -0.276 3.696 4.120 -0.247 0.000 0.249 790 V C 2.876 179.192 176.094 0.371 0.000 1.059 790 V CA 2.075 64.490 62.300 0.192 0.000 1.051 790 V CB -1.403 30.454 31.823 0.057 0.000 0.658 790 V HN 0.153 nan 8.190 nan 0.000 0.455 791 Q N -0.556 119.430 119.800 0.310 0.000 2.016 791 Q HA -0.135 4.057 4.340 -0.247 0.000 0.200 791 Q C 2.322 178.465 176.000 0.238 0.000 0.978 791 Q CA 1.663 57.639 55.803 0.289 0.000 0.833 791 Q CB -0.291 28.546 28.738 0.164 0.000 0.895 791 Q HN 0.528 nan 8.270 nan 0.000 0.427 792 L N 0.416 121.738 121.223 0.165 0.000 2.013 792 L HA -0.260 3.931 4.340 -0.247 0.000 0.212 792 L C 2.344 179.297 176.870 0.139 0.000 1.073 792 L CA 1.154 56.066 54.840 0.119 0.000 0.753 792 L CB -0.572 41.535 42.059 0.080 0.000 0.890 792 L HN 0.290 nan 8.230 nan 0.000 0.432 793 L N -1.233 120.095 121.223 0.174 0.000 2.127 793 L HA -0.286 3.906 4.340 -0.247 0.000 0.211 793 L C 2.468 179.469 176.870 0.218 0.000 1.089 793 L CA 1.456 56.398 54.840 0.169 0.000 0.757 793 L CB -0.648 41.519 42.059 0.180 0.000 0.899 793 L HN 0.593 nan 8.230 nan 0.000 0.434 794 W N 0.348 121.724 121.300 0.127 0.000 2.409 794 W HA -0.142 4.569 4.660 0.085 0.000 0.299 794 W C 2.077 178.606 176.519 0.018 0.000 1.203 794 W CA 1.325 58.725 57.345 0.091 0.000 1.298 794 W CB -0.172 29.299 29.460 0.019 0.000 1.127 794 W HN -0.087 nan 8.180 nan 0.000 0.528 795 V N 2.373 122.375 119.914 0.147 0.000 2.343 795 V HA -0.343 3.629 4.120 -0.247 0.000 0.247 795 V C 1.951 177.996 176.094 -0.082 0.000 1.051 795 V CA 2.259 64.564 62.300 0.009 0.000 1.036 795 V CB -0.950 30.907 31.823 0.056 0.000 0.654 795 V HN 0.153 nan 8.190 nan 0.000 0.451 796 N N -0.648 118.023 118.700 -0.048 0.000 2.515 796 N HA 0.009 4.601 4.740 -0.247 0.000 0.185 796 N C 1.243 176.691 175.510 -0.103 0.000 1.109 796 N CA 0.649 53.653 53.050 -0.077 0.000 0.903 796 N CB 0.347 38.808 38.487 -0.043 0.000 0.969 796 N HN 0.312 nan 8.380 nan 0.000 0.450 797 L N -0.942 120.202 121.223 -0.132 0.000 2.433 797 L HA 0.197 4.388 4.340 -0.247 0.000 0.200 797 L C 1.763 178.471 176.870 -0.271 0.000 1.059 797 L CA 0.595 55.338 54.840 -0.163 0.000 0.835 797 L CB -0.064 41.931 42.059 -0.108 0.000 1.076 797 L HN -0.171 nan 8.230 nan 0.000 0.481 798 V N -2.109 117.526 119.914 -0.466 0.000 2.784 798 V HA -0.027 3.944 4.120 -0.247 0.000 0.231 798 V C 2.196 178.031 176.094 -0.432 0.000 1.128 798 V CA 1.401 63.336 62.300 -0.609 0.000 1.178 798 V CB -0.730 30.302 31.823 -1.318 0.000 0.943 798 V HN 0.287 nan 8.190 nan 0.000 0.500 799 T N 0.814 115.087 114.554 -0.469 0.000 2.597 799 T HA -0.264 3.938 4.350 -0.247 0.000 0.267 799 T C 1.420 176.072 174.700 -0.080 0.000 1.053 799 T CA 2.331 64.324 62.100 -0.179 0.000 1.165 799 T CB -0.428 68.403 68.868 -0.062 0.000 0.863 799 T HN 0.408 nan 8.240 nan 0.000 0.427 800 D N 0.345 120.699 120.400 -0.078 0.000 2.348 800 D HA 0.178 4.669 4.640 -0.247 0.000 0.211 800 D C 2.178 178.495 176.300 0.027 0.000 0.998 800 D CA 0.507 54.516 54.000 0.015 0.000 0.873 800 D CB -0.571 40.173 40.800 -0.093 0.000 0.925 800 D HN 0.472 nan 8.370 nan 0.000 0.524 801 G N 0.665 109.411 108.800 -0.089 0.000 2.394 801 G HA2 -0.154 3.658 3.960 -0.247 0.000 0.214 801 G HA3 -0.154 3.658 3.960 -0.247 0.000 0.214 801 G C 1.459 176.283 174.900 -0.126 0.000 1.176 801 G CA 0.153 45.178 45.100 -0.125 0.000 0.786 801 G HN 0.138 nan 8.290 nan 0.000 0.533 802 L N 1.423 122.584 121.223 -0.103 0.000 2.012 802 L HA -0.021 4.171 4.340 -0.247 0.000 0.210 802 L C 0.284 177.099 176.870 -0.092 0.000 1.073 802 L CA 1.800 56.590 54.840 -0.083 0.000 0.748 802 L CB -2.022 40.011 42.059 -0.042 0.000 0.891 802 L HN 0.154 nan 8.230 nan 0.000 0.431 803 P HA -0.066 nan 4.420 nan 0.000 0.216 803 P C 1.702 178.867 177.300 -0.225 0.000 1.153 803 P CA 1.680 64.699 63.100 -0.134 0.000 0.844 803 P CB 0.024 31.662 31.700 -0.103 0.000 0.787 804 A N -0.748 122.017 122.820 -0.090 0.000 1.883 804 A HA -0.220 3.951 4.320 -0.247 0.000 0.217 804 A C 2.266 179.658 177.584 -0.320 0.000 1.186 804 A CA 2.660 54.650 52.037 -0.080 0.000 0.624 804 A CB -1.944 17.045 19.000 -0.019 0.000 0.822 804 A HN 0.144 nan 8.150 nan 0.000 0.444 805 T N 0.229 114.545 114.554 -0.396 0.000 2.674 805 T HA -0.022 4.179 4.350 -0.247 0.000 0.265 805 T C 2.240 176.513 174.700 -0.712 0.000 1.039 805 T CA 1.736 63.512 62.100 -0.540 0.000 1.150 805 T CB -0.561 68.077 68.868 -0.382 0.000 0.864 805 T HN 0.630 nan 8.240 nan 0.000 0.427 806 A N 1.179 123.697 122.820 -0.502 0.000 1.986 806 A HA -0.042 4.129 4.320 -0.247 0.000 0.220 806 A C 2.240 179.542 177.584 -0.470 0.000 1.171 806 A CA 1.251 53.000 52.037 -0.480 0.000 0.640 806 A CB -0.947 18.006 19.000 -0.079 0.000 0.811 806 A HN 0.511 nan 8.150 nan 0.000 0.451 807 L N -0.776 120.250 121.223 -0.327 0.000 2.353 807 L HA -0.111 4.081 4.340 -0.247 0.000 0.220 807 L C 2.500 179.285 176.870 -0.142 0.000 1.133 807 L CA 0.667 55.395 54.840 -0.187 0.000 0.798 807 L CB -0.426 41.556 42.059 -0.129 0.000 0.922 807 L HN 0.511 nan 8.230 nan 0.000 0.445 808 G N -0.929 107.701 108.800 -0.284 0.000 2.679 808 G HA2 -0.167 3.644 3.960 -0.247 0.000 0.212 808 G HA3 -0.167 3.644 3.960 -0.247 0.000 0.212 808 G C 0.744 175.597 174.900 -0.078 0.000 1.137 808 G CA -0.002 45.016 45.100 -0.136 0.000 0.787 808 G HN 0.279 nan 8.290 nan 0.000 0.534 809 F N 0.447 120.322 119.950 -0.125 0.000 2.668 809 F HA 0.368 4.746 4.527 -0.248 0.000 0.301 809 F C 0.339 176.080 175.800 -0.098 0.000 1.106 809 F CA -2.131 55.748 58.000 -0.202 0.000 1.289 809 F CB -0.835 37.875 39.000 -0.483 0.000 1.006 809 F HN -0.141 nan 8.300 nan 0.000 0.535 810 N N 4.117 122.854 118.700 0.061 0.000 2.454 810 N HA 0.046 4.638 4.740 -0.247 0.000 0.260 810 N C -2.313 173.222 175.510 0.042 0.000 1.218 810 N CA -1.136 51.935 53.050 0.034 0.000 0.904 810 N CB 0.216 38.692 38.487 -0.019 0.000 1.065 810 N HN 0.017 nan 8.380 nan 0.000 0.462 811 P HA 0.060 nan 4.420 nan 0.000 0.266 811 P C -2.500 174.811 177.300 0.018 0.000 1.193 811 P CA -0.691 62.432 63.100 0.039 0.000 0.770 811 P CB -0.163 31.562 31.700 0.042 0.000 0.836 812 P HA 0.209 nan 4.420 nan 0.000 0.284 812 P C -0.481 176.822 177.300 0.004 0.000 1.253 812 P CA -0.259 62.846 63.100 0.008 0.000 0.800 812 P CB 0.712 32.418 31.700 0.010 0.000 0.961 813 D N 1.644 122.044 120.400 -0.000 0.000 2.449 813 D HA -0.001 4.491 4.640 -0.247 0.000 0.236 813 D C 1.513 177.813 176.300 0.001 0.000 1.149 813 D CA 0.117 54.116 54.000 -0.002 0.000 0.878 813 D CB 0.691 41.489 40.800 -0.004 0.000 1.198 813 D HN 0.310 nan 8.370 nan 0.000 0.446 814 L N 1.183 122.406 121.223 0.001 0.000 2.395 814 L HA -0.080 4.111 4.340 -0.247 0.000 0.218 814 L C 1.584 178.454 176.870 0.001 0.000 1.130 814 L CA 0.649 55.490 54.840 0.002 0.000 0.826 814 L CB -0.222 41.838 42.059 0.003 0.000 0.941 814 L HN 0.382 nan 8.230 nan 0.000 0.451 815 D N -0.529 119.871 120.400 -0.000 0.000 2.325 815 D HA -0.070 4.421 4.640 -0.247 0.000 0.225 815 D C 1.878 178.179 176.300 0.001 0.000 1.096 815 D CA -0.079 53.921 54.000 -0.000 0.000 0.844 815 D CB 0.110 40.908 40.800 -0.003 0.000 0.925 815 D HN 0.074 nan 8.370 nan 0.000 0.513 816 I N 0.868 121.439 120.570 0.002 0.000 2.091 816 I HA -0.272 3.750 4.170 -0.247 0.000 0.240 816 I C 1.776 177.895 176.117 0.003 0.000 1.046 816 I CA 1.319 62.622 61.300 0.004 0.000 1.306 816 I CB -0.327 37.676 38.000 0.005 0.000 1.018 816 I HN 0.146 nan 8.210 nan 0.000 0.404 817 M N -0.279 119.322 119.600 0.001 0.000 2.505 817 M HA 0.038 4.370 4.480 -0.247 0.000 0.230 817 M C 0.373 176.674 176.300 0.001 0.000 1.153 817 M CA 0.482 55.782 55.300 -0.000 0.000 0.997 817 M CB -0.827 31.771 32.600 -0.003 0.000 1.606 817 M HN 0.081 nan 8.290 nan 0.000 0.481 818 D N 1.246 121.647 120.400 0.002 0.000 2.368 818 D HA 0.129 4.620 4.640 -0.247 0.000 0.218 818 D C 0.642 176.943 176.300 0.002 0.000 1.112 818 D CA 0.147 54.148 54.000 0.002 0.000 0.834 818 D CB 0.618 41.419 40.800 0.001 0.000 0.953 818 D HN 0.413 nan 8.370 nan 0.000 0.505 819 R N 0.091 120.592 120.500 0.003 0.000 2.837 819 R HA 0.587 4.779 4.340 -0.247 0.000 0.271 819 R C -2.931 173.371 176.300 0.003 0.000 0.993 819 R CA -1.438 54.664 56.100 0.003 0.000 0.931 819 R CB 1.652 31.955 30.300 0.004 0.000 1.206 819 R HN -0.286 nan 8.270 nan 0.000 0.474 820 P HA 0.126 nan 4.420 nan 0.000 0.271 820 P C -2.429 174.871 177.300 0.001 0.000 1.238 820 P CA -1.058 62.043 63.100 0.003 0.000 0.794 820 P CB -0.333 31.369 31.700 0.003 0.000 0.959 821 P HA 0.161 nan 4.420 nan 0.000 0.271 821 P C 0.278 177.571 177.300 -0.012 0.000 1.216 821 P CA 0.081 63.175 63.100 -0.011 0.000 0.771 821 P CB 0.261 31.955 31.700 -0.010 0.000 0.864 822 R N 2.676 123.163 120.500 -0.022 0.000 2.679 822 R HA 0.128 4.320 4.340 -0.247 0.000 0.268 822 R C 0.235 176.518 176.300 -0.030 0.000 1.044 822 R CA 0.115 56.203 56.100 -0.021 0.000 1.105 822 R CB 0.240 30.517 30.300 -0.039 0.000 0.989 822 R HN 0.446 nan 8.270 nan 0.000 0.447 823 S N 3.705 119.399 115.700 -0.011 0.000 2.548 823 S HA 0.194 4.515 4.470 -0.247 0.000 0.277 823 S C -1.718 172.868 174.600 -0.023 0.000 1.315 823 S CA -1.545 56.650 58.200 -0.008 0.000 1.050 823 S CB 1.303 64.509 63.200 0.010 0.000 0.918 823 S HN 0.541 nan 8.310 nan 0.000 0.497 824 P HA -0.060 nan 4.420 nan 0.000 0.217 824 P C 1.061 178.355 177.300 -0.010 0.000 1.150 824 P CA 1.031 64.108 63.100 -0.038 0.000 0.832 824 P CB 0.150 31.835 31.700 -0.025 0.000 0.787 825 K N 0.087 120.492 120.400 0.009 0.000 2.362 825 K HA -0.121 4.051 4.320 -0.247 0.000 0.200 825 K C 0.793 177.415 176.600 0.038 0.000 1.046 825 K CA 0.369 56.671 56.287 0.025 0.000 0.952 825 K CB -0.768 31.748 32.500 0.028 0.000 0.753 825 K HN 0.384 nan 8.250 nan 0.000 0.466 826 E N 3.587 123.809 120.200 0.036 0.000 2.734 826 E HA -0.052 4.150 4.350 -0.247 0.000 0.235 826 E C -2.057 174.591 176.600 0.080 0.000 1.107 826 E CA -1.148 55.286 56.400 0.057 0.000 0.951 826 E CB 0.268 30.003 29.700 0.059 0.000 0.955 826 E HN 0.026 nan 8.360 nan 0.000 0.515 827 P HA -0.053 nan 4.420 nan 0.000 0.272 827 P C 0.247 177.604 177.300 0.094 0.000 1.230 827 P CA -0.143 63.013 63.100 0.092 0.000 0.788 827 P CB 0.983 32.742 31.700 0.099 0.000 0.949 828 L N 1.306 122.575 121.223 0.077 0.000 2.131 828 L HA 0.121 4.312 4.340 -0.247 0.000 0.206 828 L C 1.249 178.157 176.870 0.063 0.000 1.087 828 L CA 1.462 56.329 54.840 0.044 0.000 0.767 828 L CB -0.379 41.665 42.059 -0.024 0.000 0.917 828 L HN 0.355 nan 8.230 nan 0.000 0.441 829 I N -0.815 119.810 120.570 0.091 0.000 2.498 829 I HA 0.493 4.514 4.170 -0.247 0.000 0.290 829 I C -0.652 175.600 176.117 0.227 0.000 1.032 829 I CA -0.328 61.058 61.300 0.144 0.000 1.073 829 I CB 1.901 39.970 38.000 0.115 0.000 1.251 829 I HN 0.064 nan 8.210 nan 0.000 0.426 830 S N 3.229 119.086 115.700 0.262 0.000 2.686 830 S HA 0.761 5.083 4.470 -0.247 0.000 0.273 830 S C -0.243 174.505 174.600 0.247 0.000 1.060 830 S CA -0.302 58.082 58.200 0.307 0.000 0.845 830 S CB 1.068 64.382 63.200 0.190 0.000 1.086 830 S HN 1.584 nan 8.310 nan 0.000 0.461 831 G N 1.739 110.653 108.800 0.190 0.000 2.550 831 G HA2 -0.347 3.465 3.960 -0.247 0.000 0.277 831 G HA3 -0.347 3.465 3.960 -0.247 0.000 0.277 831 G C 0.756 175.833 174.900 0.297 0.000 1.190 831 G CA 0.475 45.689 45.100 0.191 0.000 0.971 831 G HN 1.482 nan 8.290 nan 0.000 0.559 832 W N 0.021 121.387 121.300 0.109 0.000 2.392 832 W HA 0.020 4.532 4.660 -0.246 0.000 0.279 832 W C 2.293 178.889 176.519 0.129 0.000 1.225 832 W CA 1.772 59.204 57.345 0.145 0.000 1.233 832 W CB -0.106 29.407 29.460 0.088 0.000 1.122 832 W HN 0.444 nan 8.180 nan 0.000 0.561 833 L N 0.314 121.596 121.223 0.098 0.000 2.217 833 L HA -0.098 4.094 4.340 -0.247 0.000 0.211 833 L C 2.179 178.964 176.870 -0.140 0.000 1.107 833 L CA 1.599 56.349 54.840 -0.149 0.000 0.783 833 L CB -1.338 40.688 42.059 -0.055 0.000 0.919 833 L HN -0.078 nan 8.230 nan 0.000 0.442 834 F N -0.653 119.267 119.950 -0.051 0.000 2.084 834 F HA -0.223 4.157 4.527 -0.245 0.000 0.296 834 F C 2.283 178.063 175.800 -0.032 0.000 1.111 834 F CA 1.736 59.749 58.000 0.021 0.000 1.224 834 F CB -0.745 38.302 39.000 0.078 0.000 0.991 834 F HN 0.189 nan 8.300 nan 0.000 0.471 835 F N 1.343 121.399 119.950 0.177 0.000 2.171 835 F HA -0.130 4.249 4.527 -0.245 0.000 0.300 835 F C 2.439 178.061 175.800 -0.296 0.000 1.090 835 F CA 1.678 59.645 58.000 -0.055 0.000 1.293 835 F CB -0.606 38.232 39.000 -0.270 0.000 1.013 835 F HN -0.139 nan 8.300 nan 0.000 0.486 836 R N -1.097 119.028 120.500 -0.625 0.000 2.083 836 R HA -0.216 3.976 4.340 -0.247 0.000 0.237 836 R C 2.077 178.075 176.300 -0.503 0.000 1.137 836 R CA 2.001 57.661 56.100 -0.733 0.000 0.951 836 R CB -0.810 29.054 30.300 -0.728 0.000 0.851 836 R HN 0.318 nan 8.270 nan 0.000 0.434 837 Y N -0.165 119.962 120.300 -0.290 0.000 2.509 837 Y HA -0.048 4.356 4.550 -0.244 0.000 0.293 837 Y C 2.100 177.845 175.900 -0.257 0.000 1.133 837 Y CA 0.547 58.501 58.100 -0.243 0.000 1.283 837 Y CB -0.285 38.041 38.460 -0.223 0.000 1.001 837 Y HN 0.071 nan 8.280 nan 0.000 0.555 838 M N -0.368 119.127 119.600 -0.175 0.000 2.098 838 M HA -0.086 4.245 4.480 -0.247 0.000 0.262 838 M C 2.413 178.592 176.300 -0.201 0.000 1.072 838 M CA 1.813 57.015 55.300 -0.162 0.000 1.133 838 M CB -0.247 32.294 32.600 -0.099 0.000 1.344 838 M HN 0.147 nan 8.290 nan 0.000 0.414 839 A N 0.943 123.516 122.820 -0.412 0.000 1.851 839 A HA -0.185 3.987 4.320 -0.247 0.000 0.216 839 A C 1.982 179.499 177.584 -0.112 0.000 1.195 839 A CA 1.960 53.798 52.037 -0.333 0.000 0.622 839 A CB -1.220 17.463 19.000 -0.529 0.000 0.831 839 A HN 0.574 nan 8.150 nan 0.000 0.444 840 I N 0.112 120.620 120.570 -0.103 0.000 2.248 840 I HA -0.251 3.771 4.170 -0.247 0.000 0.248 840 I C 2.631 178.789 176.117 0.068 0.000 1.107 840 I CA 1.637 62.944 61.300 0.011 0.000 1.373 840 I CB -2.115 35.918 38.000 0.054 0.000 1.055 840 I HN 0.389 nan 8.210 nan 0.000 0.418 841 G N 0.919 109.726 108.800 0.012 0.000 2.453 841 G HA2 -0.194 3.618 3.960 -0.247 0.000 0.215 841 G HA3 -0.194 3.618 3.960 -0.247 0.000 0.215 841 G C 1.756 176.678 174.900 0.037 0.000 1.201 841 G CA 0.895 46.000 45.100 0.008 0.000 0.784 841 G HN 0.468 nan 8.290 nan 0.000 0.545 842 G N -0.508 108.311 108.800 0.032 0.000 2.450 842 G HA2 -0.241 3.570 3.960 -0.247 0.000 0.220 842 G HA3 -0.241 3.570 3.960 -0.247 0.000 0.220 842 G C 1.599 176.533 174.900 0.057 0.000 1.130 842 G CA 1.138 46.266 45.100 0.047 0.000 0.760 842 G HN 0.457 nan 8.290 nan 0.000 0.557 843 Y N 0.982 121.267 120.300 -0.024 0.000 2.109 843 Y HA -0.108 4.293 4.550 -0.249 0.000 0.285 843 Y C 2.882 178.777 175.900 -0.008 0.000 1.131 843 Y CA 1.713 59.803 58.100 -0.017 0.000 1.121 843 Y CB -0.406 38.039 38.460 -0.026 0.000 0.987 843 Y HN 0.025 nan 8.280 nan 0.000 0.495 844 V N 0.349 120.351 119.914 0.147 0.000 2.282 844 V HA -0.337 3.635 4.120 -0.247 0.000 0.249 844 V C 2.583 178.657 176.094 -0.032 0.000 1.057 844 V CA 2.042 64.374 62.300 0.053 0.000 1.032 844 V CB -1.631 30.233 31.823 0.068 0.000 0.645 844 V HN 0.683 nan 8.190 nan 0.000 0.447 845 G N -0.501 108.295 108.800 -0.008 0.000 2.491 845 G HA2 -0.272 3.539 3.960 -0.247 0.000 0.218 845 G HA3 -0.272 3.539 3.960 -0.247 0.000 0.218 845 G C 1.795 176.673 174.900 -0.036 0.000 1.180 845 G CA 1.293 46.393 45.100 0.000 0.000 0.774 845 G HN 0.635 nan 8.290 nan 0.000 0.562 846 A N 1.215 123.989 122.820 -0.077 0.000 1.865 846 A HA 0.192 4.364 4.320 -0.247 0.000 0.217 846 A C 2.877 180.363 177.584 -0.162 0.000 1.191 846 A CA 2.701 54.673 52.037 -0.109 0.000 0.623 846 A CB -1.039 17.877 19.000 -0.139 0.000 0.826 846 A HN 0.974 nan 8.150 nan 0.000 0.444 847 A N -0.453 122.189 122.820 -0.296 0.000 1.908 847 A HA -0.149 4.023 4.320 -0.247 0.000 0.218 847 A C 2.440 179.944 177.584 -0.133 0.000 1.181 847 A CA 2.781 54.645 52.037 -0.287 0.000 0.627 847 A CB -1.406 17.340 19.000 -0.422 0.000 0.818 847 A HN 0.850 nan 8.150 nan 0.000 0.445 848 T N -3.494 111.009 114.554 -0.084 0.000 2.985 848 T HA 0.020 4.222 4.350 -0.247 0.000 0.266 848 T C 1.646 176.342 174.700 -0.007 0.000 1.076 848 T CA 1.221 63.299 62.100 -0.037 0.000 1.135 848 T CB -0.349 68.507 68.868 -0.019 0.000 0.890 848 T HN 0.048 nan 8.240 nan 0.000 0.480 849 V N 1.806 121.719 119.914 -0.002 0.000 2.346 849 V HA 0.121 4.093 4.120 -0.247 0.000 0.244 849 V C 3.088 179.220 176.094 0.064 0.000 1.037 849 V CA 1.759 64.082 62.300 0.038 0.000 1.029 849 V CB -1.333 30.509 31.823 0.031 0.000 0.663 849 V HN 0.635 nan 8.190 nan 0.000 0.454 850 G N -0.189 108.630 108.800 0.032 0.000 2.421 850 G HA2 -0.239 3.572 3.960 -0.247 0.000 0.216 850 G HA3 -0.239 3.572 3.960 -0.247 0.000 0.216 850 G C 1.803 176.769 174.900 0.111 0.000 1.171 850 G CA 1.095 46.233 45.100 0.062 0.000 0.775 850 G HN 0.592 nan 8.290 nan 0.000 0.543 851 A N 1.027 123.868 122.820 0.035 0.000 1.958 851 A HA 0.094 4.266 4.320 -0.247 0.000 0.221 851 A C 2.749 180.441 177.584 0.181 0.000 1.178 851 A CA 2.698 54.758 52.037 0.038 0.000 0.642 851 A CB -0.679 18.294 19.000 -0.044 0.000 0.816 851 A HN 0.865 nan 8.150 nan 0.000 0.453 852 A N -0.883 122.015 122.820 0.130 0.000 1.903 852 A HA 0.418 4.590 4.320 -0.247 0.000 0.213 852 A C 2.390 180.104 177.584 0.216 0.000 1.185 852 A CA 1.384 53.480 52.037 0.099 0.000 0.628 852 A CB -0.835 18.195 19.000 0.050 0.000 0.830 852 A HN 1.092 nan 8.150 nan 0.000 0.446 853 A N -1.593 121.407 122.820 0.301 0.000 2.172 853 A HA -0.053 4.119 4.320 -0.247 0.000 0.216 853 A C 1.782 179.582 177.584 0.360 0.000 1.154 853 A CA 1.299 53.571 52.037 0.391 0.000 0.701 853 A CB -0.706 18.446 19.000 0.254 0.000 0.789 853 A HN 0.868 nan 8.150 nan 0.000 0.465 854 W N -0.920 120.458 121.300 0.131 0.000 2.452 854 W HA -0.085 4.426 4.660 -0.249 0.000 0.313 854 W C 1.926 178.523 176.519 0.131 0.000 1.176 854 W CA 1.522 58.931 57.345 0.106 0.000 1.350 854 W CB -0.831 28.648 29.460 0.031 0.000 1.148 854 W HN 0.412 nan 8.180 nan 0.000 0.498 855 W N 0.735 121.958 121.300 -0.127 0.000 2.292 855 W HA -0.322 4.193 4.660 -0.241 0.000 0.304 855 W C 1.914 178.126 176.519 -0.511 0.000 1.228 855 W CA 2.789 59.794 57.345 -0.567 0.000 1.241 855 W CB -0.982 28.272 29.460 -0.342 0.000 1.142 855 W HN -0.028 nan 8.180 nan 0.000 0.520 856 F N -0.359 119.478 119.950 -0.188 0.000 2.146 856 F HA -0.167 4.212 4.527 -0.246 0.000 0.298 856 F C 2.371 177.869 175.800 -0.502 0.000 1.096 856 F CA 2.064 59.813 58.000 -0.419 0.000 1.275 856 F CB -0.853 38.025 39.000 -0.203 0.000 1.008 856 F HN -0.085 nan 8.300 nan 0.000 0.480 857 M N -2.778 116.722 119.600 -0.165 0.000 2.738 857 M HA 0.004 4.335 4.480 -0.247 0.000 0.256 857 M C 1.264 177.276 176.300 -0.480 0.000 1.253 857 M CA 1.029 56.171 55.300 -0.264 0.000 1.223 857 M CB -0.417 32.139 32.600 -0.073 0.000 1.263 857 M HN -0.079 nan 8.290 nan 0.000 0.521 858 Y N 0.584 120.539 120.300 -0.575 0.000 2.457 858 Y HA 0.484 4.885 4.550 -0.247 0.000 0.263 858 Y C 1.167 176.605 175.900 -0.770 0.000 1.164 858 Y CA -0.908 56.866 58.100 -0.543 0.000 1.274 858 Y CB -0.679 37.622 38.460 -0.266 0.000 1.097 858 Y HN 0.065 nan 8.280 nan 0.000 0.523 859 A N 0.658 122.841 122.820 -1.062 0.000 2.407 859 A HA 0.168 4.340 4.320 -0.247 0.000 0.248 859 A C 1.251 178.501 177.584 -0.557 0.000 1.082 859 A CA -0.303 51.095 52.037 -1.065 0.000 0.785 859 A CB 0.541 18.755 19.000 -1.310 0.000 1.020 859 A HN 0.264 nan 8.150 nan 0.000 0.489 860 E N 0.873 120.886 120.200 -0.310 0.000 2.021 860 E HA -0.095 4.107 4.350 -0.247 0.000 0.189 860 E C 0.306 176.788 176.600 -0.197 0.000 0.980 860 E CA 1.102 57.393 56.400 -0.182 0.000 0.803 860 E CB -0.137 29.531 29.700 -0.053 0.000 0.766 860 E HN 0.714 nan 8.360 nan 0.000 0.449 861 D N 0.832 121.140 120.400 -0.152 0.000 2.344 861 D HA 0.126 4.618 4.640 -0.247 0.000 0.242 861 D C 0.378 176.548 176.300 -0.216 0.000 1.159 861 D CA 0.198 54.138 54.000 -0.101 0.000 0.859 861 D CB 0.169 40.986 40.800 0.028 0.000 0.925 861 D HN 0.010 nan 8.370 nan 0.000 0.510 862 G N 0.497 108.971 108.800 -0.544 0.000 2.537 862 G HA2 0.395 4.207 3.960 -0.247 0.000 0.308 862 G HA3 0.395 4.207 3.960 -0.247 0.000 0.308 862 G C -2.620 171.825 174.900 -0.758 0.000 1.237 862 G CA -1.424 43.050 45.100 -1.042 0.000 0.968 862 G HN -0.236 nan 8.290 nan 0.000 0.481 863 P HA 0.107 nan 4.420 nan 0.000 0.233 863 P C 1.021 178.078 177.300 -0.403 0.000 1.576 863 P CA 0.095 62.937 63.100 -0.430 0.000 0.962 863 P CB -0.227 31.271 31.700 -0.335 0.000 1.859 864 G N 1.501 110.055 108.800 -0.410 0.000 2.280 864 G HA2 0.104 3.916 3.960 -0.247 0.000 0.273 864 G HA3 0.104 3.916 3.960 -0.247 0.000 0.273 864 G C 0.397 175.140 174.900 -0.262 0.000 0.778 864 G CA -0.012 44.866 45.100 -0.370 0.000 1.067 864 G HN 0.374 nan 8.290 nan 0.000 0.325 865 V N 0.908 120.671 119.914 -0.251 0.000 2.502 865 V HA 0.364 4.335 4.120 -0.247 0.000 0.261 865 V C 0.594 176.610 176.094 -0.129 0.000 0.996 865 V CA -0.336 61.916 62.300 -0.080 0.000 1.095 865 V CB -0.174 31.599 31.823 -0.084 0.000 1.325 865 V HN 0.854 nan 8.190 nan 0.000 0.574 866 T N -0.053 114.296 114.554 -0.341 0.000 2.640 866 T HA 0.075 4.277 4.350 -0.247 0.000 0.252 866 T C 0.325 174.775 174.700 -0.416 0.000 1.038 866 T CA 0.882 62.585 62.100 -0.662 0.000 1.307 866 T CB -1.213 67.193 68.868 -0.770 0.000 1.014 866 T HN 1.327 nan 8.240 nan 0.000 0.523 867 Y N -1.081 119.263 120.300 0.074 0.000 4.366 867 Y HA -0.235 4.167 4.550 -0.247 0.000 0.236 867 Y C 1.247 177.200 175.900 0.087 0.000 1.142 867 Y CA 0.433 58.588 58.100 0.091 0.000 2.024 867 Y CB -3.207 35.293 38.460 0.066 0.000 1.621 867 Y HN 0.864 nan 8.280 nan 0.000 0.694 868 H N 2.544 121.668 119.070 0.090 0.000 2.602 868 H HA -0.045 4.363 4.556 -0.247 0.000 0.285 868 H C 0.530 175.952 175.328 0.156 0.000 1.093 868 H CA 1.637 57.742 56.048 0.095 0.000 1.201 868 H CB -0.039 29.741 29.762 0.029 0.000 1.294 868 H HN 0.514 nan 8.280 nan 0.000 0.633 869 Q N -0.132 119.829 119.800 0.268 0.000 2.453 869 Q HA -0.231 3.961 4.340 -0.247 0.000 0.330 869 Q C 1.541 177.738 176.000 0.328 0.000 1.417 869 Q CA 0.436 56.413 55.803 0.290 0.000 0.902 869 Q CB -1.735 27.175 28.738 0.287 0.000 1.154 869 Q HN 0.588 nan 8.270 nan 0.000 0.395 870 L N -1.014 120.337 121.223 0.212 0.000 2.131 870 L HA -0.186 4.006 4.340 -0.247 0.000 0.210 870 L C 2.193 179.149 176.870 0.143 0.000 1.092 870 L CA 1.882 56.797 54.840 0.124 0.000 0.759 870 L CB -0.314 41.730 42.059 -0.024 0.000 0.903 870 L HN 0.357 nan 8.230 nan 0.000 0.435 871 T N -2.247 112.404 114.554 0.162 0.000 2.614 871 T HA -0.245 3.957 4.350 -0.247 0.000 0.263 871 T C 1.862 176.677 174.700 0.191 0.000 1.055 871 T CA 1.272 63.453 62.100 0.135 0.000 1.162 871 T CB -0.452 68.483 68.868 0.111 0.000 0.863 871 T HN 0.361 nan 8.240 nan 0.000 0.414 872 H N 1.493 120.661 119.070 0.164 0.000 2.330 872 H HA -0.149 4.259 4.556 -0.248 0.000 0.290 872 H C 0.598 176.101 175.328 0.292 0.000 1.111 872 H CA 2.034 58.198 56.048 0.194 0.000 1.226 872 H CB -0.280 29.609 29.762 0.211 0.000 1.355 872 H HN 0.464 nan 8.280 nan 0.000 0.485 873 F N -2.335 117.766 119.950 0.251 0.000 2.779 873 F HA 0.516 4.895 4.527 -0.246 0.000 0.316 873 F C -0.972 174.832 175.800 0.006 0.000 1.164 873 F CA -1.468 56.608 58.000 0.127 0.000 0.924 873 F CB 1.103 40.202 39.000 0.163 0.000 1.348 873 F HN -0.147 nan 8.300 nan 0.000 0.467 874 M N 1.854 121.208 119.600 -0.409 0.000 5.749 874 M HA 0.088 4.420 4.480 -0.247 0.000 0.676 874 M C -0.888 175.212 176.300 -0.333 0.000 2.451 874 M CA 0.335 55.235 55.300 -0.667 0.000 0.248 874 M CB 0.754 33.121 32.600 -0.389 0.000 1.464 874 M HN 0.938 nan 8.290 nan 0.000 0.720 875 Q N -1.162 118.598 119.800 -0.066 0.000 2.477 875 Q HA 0.160 4.352 4.340 -0.247 0.000 0.252 875 Q C 1.332 177.376 176.000 0.074 0.000 0.869 875 Q CA 0.463 56.306 55.803 0.068 0.000 0.969 875 Q CB 1.006 29.859 28.738 0.192 0.000 1.144 875 Q HN 0.668 nan 8.270 nan 0.000 0.577 876 c N 1.272 120.037 118.600 0.275 0.000 4.498 876 c HA -0.256 4.166 4.570 -0.247 0.000 0.286 876 c C 1.912 176.030 174.090 0.046 0.000 1.663 876 c CA 1.309 57.756 56.329 0.197 0.000 1.923 876 c CB -1.973 40.519 42.510 -0.031 0.000 1.883 876 c HN 0.683 nan 8.230 nan 0.000 0.696 877 T N -0.458 114.118 114.554 0.036 0.000 2.915 877 T HA -0.099 4.102 4.350 -0.247 0.000 0.269 877 T C 1.403 176.033 174.700 -0.116 0.000 1.071 877 T CA 1.848 63.930 62.100 -0.029 0.000 1.132 877 T CB -0.055 68.815 68.868 0.003 0.000 0.878 877 T HN 0.791 nan 8.240 nan 0.000 0.479 878 E N 0.500 120.595 120.200 -0.175 0.000 2.065 878 E HA 0.024 4.225 4.350 -0.247 0.000 0.191 878 E C 1.049 177.247 176.600 -0.670 0.000 0.960 878 E CA 0.490 56.630 56.400 -0.433 0.000 0.824 878 E CB 0.048 29.575 29.700 -0.289 0.000 0.793 878 E HN 0.288 nan 8.360 nan 0.000 0.459 879 D N -1.069 119.106 120.400 -0.375 0.000 3.079 879 D HA -0.205 4.287 4.640 -0.247 0.000 0.214 879 D C 0.782 176.913 176.300 -0.281 0.000 1.145 879 D CA 0.894 54.766 54.000 -0.213 0.000 0.958 879 D CB -0.915 39.780 40.800 -0.176 0.000 1.117 879 D HN 0.302 nan 8.370 nan 0.000 0.416 880 H N -1.245 117.678 119.070 -0.244 0.000 2.372 880 H HA 0.075 4.483 4.556 -0.247 0.000 0.301 880 H C -0.663 174.565 175.328 -0.166 0.000 1.065 880 H CA 1.560 57.425 56.048 -0.305 0.000 1.364 880 H CB -1.310 28.281 29.762 -0.285 0.000 1.406 880 H HN 0.455 nan 8.280 nan 0.000 0.521 881 P HA -0.125 nan 4.420 nan 0.000 0.228 881 P C -0.008 177.490 177.300 0.329 0.000 1.151 881 P CA 1.399 64.534 63.100 0.059 0.000 0.770 881 P CB -0.139 31.492 31.700 -0.116 0.000 0.786 882 H N -1.370 117.820 119.070 0.199 0.000 2.716 882 H HA 0.322 4.730 4.556 -0.247 0.000 0.260 882 H C 0.601 176.049 175.328 0.200 0.000 1.280 882 H CA -0.800 55.401 56.048 0.255 0.000 1.506 882 H CB -0.314 29.584 29.762 0.228 0.000 1.514 882 H HN -0.332 nan 8.280 nan 0.000 0.502 883 F N 1.674 121.534 119.950 -0.150 0.000 2.001 883 F HA -0.128 4.251 4.527 -0.248 0.000 0.301 883 F C 1.484 177.116 175.800 -0.279 0.000 1.293 883 F CA 1.734 59.641 58.000 -0.157 0.000 1.196 883 F CB -0.341 38.601 39.000 -0.097 0.000 0.944 883 F HN 0.507 nan 8.300 nan 0.000 0.525 884 E N -0.057 120.126 120.200 -0.029 0.000 2.384 884 E HA 0.409 4.611 4.350 -0.247 0.000 0.266 884 E C -0.205 176.227 176.600 -0.280 0.000 1.012 884 E CA 0.517 56.853 56.400 -0.106 0.000 0.901 884 E CB 0.234 29.916 29.700 -0.030 0.000 0.967 884 E HN 0.548 nan 8.360 nan 0.000 0.435 885 G N 2.523 111.261 108.800 -0.102 0.000 2.375 885 G HA2 0.032 3.844 3.960 -0.247 0.000 0.663 885 G HA3 0.032 3.844 3.960 -0.247 0.000 0.663 885 G C -1.098 173.857 174.900 0.091 0.000 1.391 885 G CA -0.804 44.326 45.100 0.051 0.000 0.949 885 G HN 0.504 nan 8.290 nan 0.000 0.646 886 L N 1.682 122.974 121.223 0.115 0.000 2.511 886 L HA 0.508 4.700 4.340 -0.247 0.000 0.252 886 L C -0.977 175.936 176.870 0.072 0.000 1.542 886 L CA -0.460 54.426 54.840 0.075 0.000 0.822 886 L CB 1.361 43.441 42.059 0.034 0.000 1.050 886 L HN 0.553 nan 8.230 nan 0.000 0.516 887 D N -0.156 120.299 120.400 0.092 0.000 2.548 887 D HA 0.219 4.711 4.640 -0.247 0.000 0.214 887 D C -0.382 175.934 176.300 0.026 0.000 1.345 887 D CA -0.252 53.779 54.000 0.051 0.000 0.945 887 D CB 2.070 42.902 40.800 0.053 0.000 1.499 887 D HN 0.221 nan 8.370 nan 0.000 0.579 888 c N 1.865 120.461 118.600 -0.008 0.000 3.123 888 c HA 0.039 4.460 4.570 -0.247 0.000 0.399 888 c C 2.038 176.095 174.090 -0.057 0.000 1.320 888 c CA 0.090 56.363 56.329 -0.094 0.000 1.949 888 c CB -0.090 42.316 42.510 -0.173 0.000 2.692 888 c HN 0.703 nan 8.230 nan 0.000 0.623 889 E N 2.327 122.529 120.200 0.002 0.000 2.516 889 E HA -0.114 4.088 4.350 -0.247 0.000 0.199 889 E C 1.390 178.086 176.600 0.161 0.000 1.069 889 E CA 0.748 57.178 56.400 0.050 0.000 0.876 889 E CB -0.397 29.314 29.700 0.020 0.000 0.843 889 E HN 0.737 nan 8.360 nan 0.000 0.530 890 I N -2.663 118.042 120.570 0.225 0.000 2.916 890 I HA -0.069 3.953 4.170 -0.247 0.000 0.267 890 I C 1.289 177.660 176.117 0.424 0.000 1.263 890 I CA 0.824 62.290 61.300 0.277 0.000 1.471 890 I CB -0.470 37.661 38.000 0.219 0.000 1.089 890 I HN -0.108 nan 8.210 nan 0.000 0.468 891 F N 1.916 121.931 119.950 0.108 0.000 2.259 891 F HA 0.020 4.398 4.527 -0.248 0.000 0.298 891 F C 2.173 178.098 175.800 0.208 0.000 1.088 891 F CA 1.179 59.254 58.000 0.125 0.000 1.358 891 F CB -0.642 38.289 39.000 -0.114 0.000 1.040 891 F HN 0.223 nan 8.300 nan 0.000 0.505 892 E N 0.327 120.703 120.200 0.293 0.000 2.416 892 E HA 0.214 4.416 4.350 -0.247 0.000 0.189 892 E C 0.579 177.231 176.600 0.087 0.000 1.091 892 E CA -0.135 56.360 56.400 0.158 0.000 0.889 892 E CB -0.126 29.629 29.700 0.091 0.000 1.015 892 E HN 0.189 nan 8.360 nan 0.000 0.479 893 A N 2.799 125.685 122.820 0.109 0.000 2.462 893 A HA 0.105 4.277 4.320 -0.247 0.000 0.243 893 A C -1.217 176.229 177.584 -0.231 0.000 1.076 893 A CA -1.079 50.928 52.037 -0.050 0.000 0.773 893 A CB 0.230 19.221 19.000 -0.016 0.000 1.010 893 A HN 0.002 nan 8.150 nan 0.000 0.493 894 P HA -0.085 nan 4.420 nan 0.000 0.222 894 P C 0.655 177.662 177.300 -0.487 0.000 1.153 894 P CA 0.919 63.841 63.100 -0.296 0.000 0.798 894 P CB 0.309 31.877 31.700 -0.220 0.000 0.796 895 E N 1.505 121.260 120.200 -0.742 0.000 2.048 895 E HA -0.168 4.034 4.350 -0.247 0.000 0.202 895 E C -0.394 175.532 176.600 -1.125 0.000 1.021 895 E CA 2.488 58.245 56.400 -1.071 0.000 0.825 895 E CB -2.226 26.430 29.700 -1.739 0.000 0.756 895 E HN 0.405 nan 8.360 nan 0.000 0.454 896 P HA -0.187 nan 4.420 nan 0.000 0.218 896 P C 1.248 178.307 177.300 -0.401 0.000 1.148 896 P CA 1.658 64.268 63.100 -0.817 0.000 0.822 896 P CB -0.001 31.096 31.700 -1.005 0.000 0.784 897 M N -1.067 118.323 119.600 -0.350 0.000 2.193 897 M HA -0.048 4.283 4.480 -0.247 0.000 0.265 897 M C 2.114 178.295 176.300 -0.199 0.000 1.071 897 M CA 1.781 56.968 55.300 -0.189 0.000 1.140 897 M CB -1.127 31.395 32.600 -0.131 0.000 1.369 897 M HN -0.095 nan 8.290 nan 0.000 0.423 898 T N 0.610 114.992 114.554 -0.287 0.000 2.833 898 T HA -0.084 4.118 4.350 -0.247 0.000 0.269 898 T C 1.814 176.347 174.700 -0.279 0.000 1.054 898 T CA 0.984 62.914 62.100 -0.283 0.000 1.135 898 T CB -0.036 68.609 68.868 -0.372 0.000 0.869 898 T HN 0.240 nan 8.240 nan 0.000 0.466 899 M N 0.863 120.291 119.600 -0.288 0.000 2.200 899 M HA 0.114 4.445 4.480 -0.247 0.000 0.265 899 M C 2.734 178.954 176.300 -0.133 0.000 1.066 899 M CA 1.034 56.208 55.300 -0.210 0.000 1.127 899 M CB -1.200 31.332 32.600 -0.113 0.000 1.379 899 M HN 0.316 nan 8.290 nan 0.000 0.420 900 A N 0.029 122.783 122.820 -0.109 0.000 1.872 900 A HA -0.129 4.042 4.320 -0.247 0.000 0.214 900 A C 2.164 179.717 177.584 -0.051 0.000 1.187 900 A CA 1.120 53.122 52.037 -0.059 0.000 0.614 900 A CB -0.907 18.071 19.000 -0.036 0.000 0.826 900 A HN 0.382 nan 8.150 nan 0.000 0.442 901 L N 0.191 121.382 121.223 -0.054 0.000 1.989 901 L HA -0.149 4.043 4.340 -0.247 0.000 0.211 901 L C 2.591 179.434 176.870 -0.044 0.000 1.071 901 L CA 2.629 57.457 54.840 -0.021 0.000 0.749 901 L CB -0.757 41.309 42.059 0.012 0.000 0.890 901 L HN 0.311 nan 8.230 nan 0.000 0.431 902 S N -1.299 114.372 115.700 -0.050 0.000 2.387 902 S HA -0.184 4.138 4.470 -0.247 0.000 0.230 902 S C 1.962 176.562 174.600 0.001 0.000 1.035 902 S CA 1.387 59.562 58.200 -0.043 0.000 1.014 902 S CB -0.433 62.646 63.200 -0.202 0.000 0.836 902 S HN 0.347 nan 8.310 nan 0.000 0.466 903 V N 1.529 121.430 119.914 -0.021 0.000 2.307 903 V HA -0.124 3.847 4.120 -0.247 0.000 0.245 903 V C 2.222 178.321 176.094 0.009 0.000 1.045 903 V CA 1.527 63.830 62.300 0.005 0.000 1.024 903 V CB -0.618 31.188 31.823 -0.027 0.000 0.651 903 V HN 0.370 nan 8.190 nan 0.000 0.449 904 L N 0.032 121.247 121.223 -0.013 0.000 1.989 904 L HA -0.153 4.039 4.340 -0.247 0.000 0.211 904 L C 2.393 179.253 176.870 -0.017 0.000 1.071 904 L CA 1.955 56.789 54.840 -0.009 0.000 0.749 904 L CB -0.653 41.398 42.059 -0.014 0.000 0.890 904 L HN 0.124 nan 8.230 nan 0.000 0.431 905 V N -0.613 119.264 119.914 -0.063 0.000 2.287 905 V HA -0.355 3.616 4.120 -0.247 0.000 0.248 905 V C 2.481 178.563 176.094 -0.019 0.000 1.053 905 V CA 2.381 64.628 62.300 -0.089 0.000 1.027 905 V CB -1.055 30.583 31.823 -0.309 0.000 0.646 905 V HN 0.590 nan 8.190 nan 0.000 0.447 906 T N 0.015 114.577 114.554 0.014 0.000 2.737 906 T HA -0.090 4.112 4.350 -0.247 0.000 0.265 906 T C 1.834 176.570 174.700 0.060 0.000 1.038 906 T CA 1.660 63.793 62.100 0.054 0.000 1.144 906 T CB -0.251 68.676 68.868 0.099 0.000 0.866 906 T HN 0.322 nan 8.240 nan 0.000 0.434 907 I N 1.019 121.630 120.570 0.068 0.000 2.226 907 I HA -0.145 3.876 4.170 -0.247 0.000 0.245 907 I C 2.684 178.849 176.117 0.080 0.000 1.100 907 I CA 1.154 62.506 61.300 0.086 0.000 1.374 907 I CB -0.334 37.736 38.000 0.117 0.000 1.057 907 I HN 0.156 nan 8.210 nan 0.000 0.413 908 E N 0.322 120.563 120.200 0.069 0.000 2.150 908 E HA -0.164 4.038 4.350 -0.247 0.000 0.193 908 E C 2.171 178.885 176.600 0.190 0.000 0.985 908 E CA 1.051 57.517 56.400 0.111 0.000 0.814 908 E CB -0.166 29.558 29.700 0.040 0.000 0.752 908 E HN 0.416 nan 8.360 nan 0.000 0.466 909 M N -0.462 119.203 119.600 0.107 0.000 2.319 909 M HA -0.086 4.245 4.480 -0.247 0.000 0.265 909 M C 2.352 178.684 176.300 0.053 0.000 1.068 909 M CA 0.636 55.982 55.300 0.076 0.000 1.118 909 M CB -1.020 31.608 32.600 0.048 0.000 1.395 909 M HN 0.153 nan 8.290 nan 0.000 0.435 910 C N 0.442 119.779 119.300 0.061 0.000 2.466 910 C HA -0.068 4.244 4.460 -0.247 0.000 0.278 910 C C 2.526 177.544 174.990 0.048 0.000 1.288 910 C CA 0.855 59.896 59.018 0.039 0.000 1.722 910 C CB -1.178 26.581 27.740 0.033 0.000 2.017 910 C HN 0.571 nan 8.230 nan 0.000 0.488 911 N N 0.864 119.629 118.700 0.108 0.000 2.381 911 N HA -0.014 4.578 4.740 -0.247 0.000 0.182 911 N C 1.603 177.203 175.510 0.150 0.000 1.025 911 N CA 1.161 54.304 53.050 0.155 0.000 0.888 911 N CB -0.137 38.469 38.487 0.198 0.000 0.965 911 N HN 0.478 nan 8.380 nan 0.000 0.438 912 A N 0.329 123.178 122.820 0.048 0.000 1.877 912 A HA -0.064 4.108 4.320 -0.247 0.000 0.216 912 A C 2.137 179.593 177.584 -0.214 0.000 1.186 912 A CA 0.921 52.725 52.037 -0.389 0.000 0.620 912 A CB -0.697 18.076 19.000 -0.378 0.000 0.822 912 A HN 0.321 nan 8.150 nan 0.000 0.443 913 L N -0.133 121.032 121.223 -0.097 0.000 2.141 913 L HA -0.146 4.045 4.340 -0.247 0.000 0.209 913 L C 1.607 178.442 176.870 -0.058 0.000 1.094 913 L CA 0.854 55.649 54.840 -0.076 0.000 0.763 913 L CB -0.599 41.430 42.059 -0.049 0.000 0.908 913 L HN 0.377 nan 8.230 nan 0.000 0.437 914 N N -0.587 118.100 118.700 -0.022 0.000 2.571 914 N HA -0.061 4.531 4.740 -0.247 0.000 0.189 914 N C 1.359 176.880 175.510 0.017 0.000 1.154 914 N CA 0.608 53.662 53.050 0.005 0.000 0.907 914 N CB 0.279 38.790 38.487 0.041 0.000 0.977 914 N HN 0.191 nan 8.380 nan 0.000 0.449 915 S N 0.001 115.688 115.700 -0.023 0.000 2.539 915 S HA 0.271 4.593 4.470 -0.247 0.000 0.221 915 S C 1.798 176.360 174.600 -0.064 0.000 0.987 915 S CA -0.363 57.822 58.200 -0.026 0.000 0.929 915 S CB 0.558 63.720 63.200 -0.064 0.000 0.832 915 S HN 0.211 nan 8.310 nan 0.000 0.492 916 L N 1.131 122.308 121.223 -0.076 0.000 2.191 916 L HA 0.051 4.242 4.340 -0.247 0.000 0.212 916 L C 1.094 177.929 176.870 -0.058 0.000 1.103 916 L CA 0.701 55.496 54.840 -0.075 0.000 0.769 916 L CB -0.032 41.976 42.059 -0.085 0.000 0.908 916 L HN 0.249 nan 8.230 nan 0.000 0.438 917 S N -1.656 114.017 115.700 -0.045 0.000 2.543 917 S HA 0.120 4.442 4.470 -0.247 0.000 0.271 917 S C 0.435 175.026 174.600 -0.015 0.000 1.148 917 S CA -0.786 57.393 58.200 -0.034 0.000 0.914 917 S CB 1.770 64.946 63.200 -0.040 0.000 1.096 917 S HN 0.233 nan 8.310 nan 0.000 0.471 918 E N 3.046 123.240 120.200 -0.009 0.000 2.110 918 E HA -0.100 4.101 4.350 -0.247 0.000 0.193 918 E C 0.971 177.576 176.600 0.009 0.000 0.988 918 E CA 1.493 57.897 56.400 0.006 0.000 0.804 918 E CB -0.055 29.650 29.700 0.007 0.000 0.745 918 E HN 0.803 nan 8.360 nan 0.000 0.458 919 N N -1.161 117.540 118.700 0.002 0.000 2.239 919 N HA 0.026 4.618 4.740 -0.247 0.000 0.208 919 N C -0.530 174.975 175.510 -0.008 0.000 1.200 919 N CA -0.327 52.727 53.050 0.006 0.000 0.895 919 N CB 0.741 39.226 38.487 -0.003 0.000 1.085 919 N HN -0.045 nan 8.380 nan 0.000 0.500 920 Q N 1.522 121.310 119.800 -0.020 0.000 2.295 920 Q HA 0.247 4.438 4.340 -0.247 0.000 0.259 920 Q C -0.244 175.741 176.000 -0.026 0.000 0.976 920 Q CA 0.224 56.009 55.803 -0.029 0.000 0.923 920 Q CB 1.358 30.071 28.738 -0.041 0.000 1.185 920 Q HN 0.051 nan 8.270 nan 0.000 0.410 921 S N 2.029 117.722 115.700 -0.011 0.000 2.573 921 S HA 0.056 4.378 4.470 -0.247 0.000 0.277 921 S C 1.540 176.112 174.600 -0.047 0.000 1.346 921 S CA -0.298 57.899 58.200 -0.005 0.000 1.034 921 S CB 0.388 63.606 63.200 0.032 0.000 0.879 921 S HN 0.555 nan 8.310 nan 0.000 0.528 922 L N 1.989 123.177 121.223 -0.058 0.000 2.642 922 L HA -0.093 4.099 4.340 -0.247 0.000 0.236 922 L C 1.982 178.773 176.870 -0.132 0.000 1.169 922 L CA 0.539 55.310 54.840 -0.114 0.000 0.851 922 L CB -0.329 41.671 42.059 -0.099 0.000 0.968 922 L HN 0.648 nan 8.230 nan 0.000 0.453 923 M N -1.365 118.193 119.600 -0.070 0.000 2.248 923 M HA -0.040 4.292 4.480 -0.247 0.000 0.265 923 M C 2.128 178.395 176.300 -0.055 0.000 1.079 923 M CA 1.388 56.661 55.300 -0.045 0.000 1.150 923 M CB -0.566 32.035 32.600 0.002 0.000 1.366 923 M HN 0.177 nan 8.290 nan 0.000 0.433 924 R N -0.437 120.029 120.500 -0.057 0.000 2.175 924 R HA 0.212 4.404 4.340 -0.247 0.000 0.202 924 R C 0.506 176.751 176.300 -0.092 0.000 1.018 924 R CA 0.321 56.389 56.100 -0.052 0.000 1.029 924 R CB 0.046 30.326 30.300 -0.033 0.000 0.959 924 R HN 0.270 nan 8.270 nan 0.000 0.480 925 M N 2.329 121.854 119.600 -0.125 0.000 2.131 925 M HA 0.351 4.682 4.480 -0.247 0.000 0.345 925 M C -2.555 173.573 176.300 -0.286 0.000 1.060 925 M CA -2.053 53.149 55.300 -0.164 0.000 1.011 925 M CB 1.618 34.149 32.600 -0.114 0.000 1.328 925 M HN -0.278 nan 8.290 nan 0.000 0.396 926 P HA 0.148 nan 4.420 nan 0.000 0.268 926 P C -2.324 174.486 177.300 -0.818 0.000 1.205 926 P CA -0.886 61.631 63.100 -0.970 0.000 0.771 926 P CB 0.261 30.904 31.700 -1.761 0.000 0.858 927 P HA -0.153 nan 4.420 nan 0.000 0.218 927 P C 0.604 177.818 177.300 -0.142 0.000 1.148 927 P CA 1.313 64.246 63.100 -0.278 0.000 0.822 927 P CB -0.360 31.270 31.700 -0.118 0.000 0.784 928 W N -2.270 119.036 121.300 0.010 0.000 3.077 928 W HA 0.174 4.684 4.660 -0.249 0.000 0.245 928 W C 1.036 177.571 176.519 0.027 0.000 1.316 928 W CA -0.102 57.251 57.345 0.014 0.000 1.537 928 W CB -1.819 27.643 29.460 0.004 0.000 1.131 928 W HN -0.318 nan 8.180 nan 0.000 0.695 929 V N 1.891 121.739 119.914 -0.111 0.000 2.720 929 V HA -0.225 3.746 4.120 -0.247 0.000 0.256 929 V C 0.789 176.931 176.094 0.081 0.000 1.082 929 V CA 1.889 64.180 62.300 -0.014 0.000 1.101 929 V CB -0.838 30.915 31.823 -0.115 0.000 0.693 929 V HN 0.349 nan 8.190 nan 0.000 0.479 930 N N 0.309 119.065 118.700 0.093 0.000 2.682 930 N HA 0.181 4.772 4.740 -0.247 0.000 0.252 930 N C 0.560 176.191 175.510 0.201 0.000 1.081 930 N CA -0.342 52.806 53.050 0.163 0.000 0.844 930 N CB 1.024 39.576 38.487 0.109 0.000 1.167 930 N HN -0.031 nan 8.380 nan 0.000 0.523 931 I N 1.304 122.009 120.570 0.224 0.000 2.361 931 I HA -0.166 3.856 4.170 -0.247 0.000 0.251 931 I C 1.470 177.665 176.117 0.130 0.000 1.133 931 I CA 0.903 62.284 61.300 0.135 0.000 1.413 931 I CB -0.804 37.215 38.000 0.032 0.000 1.073 931 I HN 0.522 nan 8.210 nan 0.000 0.424 932 W N 0.777 122.136 121.300 0.097 0.000 2.338 932 W HA -0.202 4.305 4.660 -0.255 0.000 0.304 932 W C 2.512 179.065 176.519 0.057 0.000 1.212 932 W CA 0.717 58.133 57.345 0.117 0.000 1.264 932 W CB -0.962 28.655 29.460 0.263 0.000 1.142 932 W HN 0.078 nan 8.180 nan 0.000 0.512 933 L N 0.281 121.662 121.223 0.264 0.000 1.989 933 L HA -0.188 4.004 4.340 -0.247 0.000 0.211 933 L C 2.187 179.098 176.870 0.068 0.000 1.071 933 L CA 1.906 56.805 54.840 0.098 0.000 0.749 933 L CB -1.244 40.831 42.059 0.028 0.000 0.890 933 L HN 0.008 nan 8.230 nan 0.000 0.431 934 L N -0.558 120.711 121.223 0.077 0.000 2.013 934 L HA -0.213 3.979 4.340 -0.247 0.000 0.212 934 L C 2.538 179.433 176.870 0.042 0.000 1.073 934 L CA 1.608 56.482 54.840 0.056 0.000 0.753 934 L CB -1.571 40.532 42.059 0.075 0.000 0.890 934 L HN 0.519 nan 8.230 nan 0.000 0.432 935 G N -0.389 108.435 108.800 0.041 0.000 2.442 935 G HA2 -0.297 3.514 3.960 -0.247 0.000 0.219 935 G HA3 -0.297 3.514 3.960 -0.247 0.000 0.219 935 G C 1.789 176.715 174.900 0.042 0.000 1.141 935 G CA 1.067 46.178 45.100 0.018 0.000 0.763 935 G HN 0.532 nan 8.290 nan 0.000 0.554 936 S N 0.710 116.453 115.700 0.072 0.000 2.368 936 S HA -0.048 4.273 4.470 -0.247 0.000 0.225 936 S C 2.332 176.954 174.600 0.037 0.000 1.030 936 S CA 1.102 59.338 58.200 0.059 0.000 0.999 936 S CB -0.408 62.821 63.200 0.049 0.000 0.844 936 S HN 0.351 nan 8.310 nan 0.000 0.459 937 I N 1.384 121.971 120.570 0.029 0.000 2.226 937 I HA -0.205 3.817 4.170 -0.247 0.000 0.245 937 I C 2.636 178.778 176.117 0.041 0.000 1.100 937 I CA 1.066 62.385 61.300 0.031 0.000 1.374 937 I CB -0.755 37.258 38.000 0.022 0.000 1.057 937 I HN 0.416 nan 8.210 nan 0.000 0.413 938 C N 0.306 119.624 119.300 0.030 0.000 2.413 938 C HA -0.162 4.150 4.460 -0.247 0.000 0.276 938 C C 2.759 177.775 174.990 0.042 0.000 1.248 938 C CA 0.585 59.617 59.018 0.022 0.000 1.742 938 C CB -0.959 26.780 27.740 -0.000 0.000 2.017 938 C HN 0.515 nan 8.230 nan 0.000 0.481 939 L N 0.869 122.120 121.223 0.046 0.000 2.093 939 L HA -0.047 4.144 4.340 -0.247 0.000 0.208 939 L C 2.465 179.392 176.870 0.095 0.000 1.085 939 L CA 1.916 56.792 54.840 0.061 0.000 0.755 939 L CB -0.678 41.410 42.059 0.049 0.000 0.904 939 L HN 0.188 nan 8.230 nan 0.000 0.435 940 S N -0.841 114.911 115.700 0.087 0.000 2.383 940 S HA -0.107 4.214 4.470 -0.247 0.000 0.227 940 S C 1.895 176.615 174.600 0.201 0.000 1.026 940 S CA 1.439 59.705 58.200 0.110 0.000 0.981 940 S CB -0.207 63.032 63.200 0.065 0.000 0.818 940 S HN 0.353 nan 8.310 nan 0.000 0.472 941 M N 1.869 121.583 119.600 0.190 0.000 2.099 941 M HA -0.034 4.298 4.480 -0.247 0.000 0.262 941 M C 2.462 179.027 176.300 0.440 0.000 1.067 941 M CA 1.479 56.960 55.300 0.301 0.000 1.124 941 M CB -1.949 30.775 32.600 0.208 0.000 1.353 941 M HN 0.435 nan 8.290 nan 0.000 0.410 942 S N 0.325 116.178 115.700 0.256 0.000 2.382 942 S HA -0.107 4.214 4.470 -0.247 0.000 0.228 942 S C 2.100 176.886 174.600 0.309 0.000 1.027 942 S CA 1.075 59.405 58.200 0.217 0.000 0.991 942 S CB -1.003 62.248 63.200 0.084 0.000 0.823 942 S HN 0.464 nan 8.310 nan 0.000 0.469 943 L N 0.590 122.000 121.223 0.311 0.000 2.141 943 L HA -0.079 4.113 4.340 -0.247 0.000 0.209 943 L C 2.867 180.001 176.870 0.440 0.000 1.094 943 L CA 1.692 56.760 54.840 0.379 0.000 0.763 943 L CB -0.592 41.700 42.059 0.390 0.000 0.908 943 L HN 0.400 nan 8.230 nan 0.000 0.437 944 H N -0.310 118.964 119.070 0.340 0.000 2.353 944 H HA -0.183 4.217 4.556 -0.260 0.000 0.300 944 H C 1.962 177.374 175.328 0.140 0.000 1.090 944 H CA 1.766 57.944 56.048 0.217 0.000 1.327 944 H CB -0.179 29.702 29.762 0.199 0.000 1.383 944 H HN 0.156 nan 8.280 nan 0.000 0.508 945 F N -0.391 119.661 119.950 0.170 0.000 2.216 945 F HA -0.121 4.253 4.527 -0.256 0.000 0.300 945 F C 2.386 178.291 175.800 0.175 0.000 1.085 945 F CA 0.943 59.058 58.000 0.193 0.000 1.326 945 F CB -0.567 38.532 39.000 0.166 0.000 1.027 945 F HN 0.228 nan 8.300 nan 0.000 0.497 946 L N 1.287 122.680 121.223 0.284 0.000 1.971 946 L HA -0.233 3.959 4.340 -0.247 0.000 0.215 946 L C 2.274 179.176 176.870 0.054 0.000 1.072 946 L CA 2.123 57.069 54.840 0.176 0.000 0.758 946 L CB -0.912 41.251 42.059 0.173 0.000 0.889 946 L HN 0.305 nan 8.230 nan 0.000 0.433 947 I N -3.370 117.117 120.570 -0.138 0.000 2.756 947 I HA -0.198 3.823 4.170 -0.247 0.000 0.262 947 I C 2.082 178.059 176.117 -0.233 0.000 1.225 947 I CA 1.167 62.292 61.300 -0.292 0.000 1.472 947 I CB -0.555 36.968 38.000 -0.795 0.000 1.094 947 I HN 0.256 nan 8.210 nan 0.000 0.454 948 L N -0.794 120.294 121.223 -0.226 0.000 2.418 948 L HA 0.000 4.192 4.340 -0.247 0.000 0.218 948 L C 1.669 178.293 176.870 -0.410 0.000 1.125 948 L CA 0.961 55.597 54.840 -0.340 0.000 0.835 948 L CB -0.085 41.717 42.059 -0.428 0.000 0.953 948 L HN 0.275 nan 8.230 nan 0.000 0.454 949 Y N -2.346 117.930 120.300 -0.040 0.000 2.652 949 Y HA 0.147 4.544 4.550 -0.255 0.000 0.275 949 Y C 1.087 176.990 175.900 0.005 0.000 1.133 949 Y CA -0.493 57.610 58.100 0.005 0.000 1.246 949 Y CB 0.377 38.874 38.460 0.062 0.000 1.334 949 Y HN -0.363 nan 8.280 nan 0.000 0.493 950 V N 3.692 123.700 119.914 0.156 0.000 2.324 950 V HA -0.078 3.893 4.120 -0.247 0.000 0.244 950 V C 0.556 176.678 176.094 0.046 0.000 1.144 950 V CA 0.018 62.375 62.300 0.095 0.000 1.158 950 V CB -0.718 31.157 31.823 0.086 0.000 1.254 950 V HN 0.404 nan 8.190 nan 0.000 0.492 951 D N 4.796 125.216 120.400 0.033 0.000 4.047 951 D HA -0.262 4.230 4.640 -0.247 0.000 0.199 951 D C -0.307 175.990 176.300 -0.005 0.000 1.319 951 D CA 2.389 56.392 54.000 0.004 0.000 0.865 951 D CB -1.339 39.466 40.800 0.009 0.000 0.911 951 D HN 0.485 nan 8.370 nan 0.000 0.579 952 P HA -0.082 nan 4.420 nan 0.000 0.215 952 P C 2.030 179.323 177.300 -0.011 0.000 1.153 952 P CA 0.759 63.857 63.100 -0.004 0.000 0.853 952 P CB -0.109 31.596 31.700 0.008 0.000 0.788 953 L N 0.128 121.359 121.223 0.013 0.000 1.994 953 L HA -0.086 4.106 4.340 -0.247 0.000 0.208 953 L C -0.209 176.703 176.870 0.070 0.000 1.071 953 L CA 2.052 56.925 54.840 0.055 0.000 0.745 953 L CB -2.477 39.611 42.059 0.048 0.000 0.892 953 L HN 0.082 nan 8.230 nan 0.000 0.431 954 P HA -0.258 nan 4.420 nan 0.000 0.217 954 P C 1.741 179.013 177.300 -0.047 0.000 1.148 954 P CA 1.819 64.882 63.100 -0.061 0.000 0.828 954 P CB -0.117 31.503 31.700 -0.134 0.000 0.783 955 M N -0.977 118.591 119.600 -0.052 0.000 2.349 955 M HA -0.029 4.302 4.480 -0.247 0.000 0.266 955 M C 2.058 178.307 176.300 -0.084 0.000 1.076 955 M CA 1.231 56.492 55.300 -0.065 0.000 1.126 955 M CB -0.370 32.194 32.600 -0.061 0.000 1.392 955 M HN -0.159 nan 8.290 nan 0.000 0.440 956 I N -0.497 120.005 120.570 -0.114 0.000 2.353 956 I HA -0.240 3.782 4.170 -0.247 0.000 0.248 956 I C 1.242 177.148 176.117 -0.352 0.000 1.119 956 I CA 1.120 62.272 61.300 -0.247 0.000 1.417 956 I CB -0.242 37.545 38.000 -0.356 0.000 1.078 956 I HN 0.161 nan 8.210 nan 0.000 0.421 957 F N 0.731 120.609 119.950 -0.120 0.000 2.765 957 F HA 0.142 4.492 4.527 -0.294 0.000 0.302 957 F C 0.751 176.481 175.800 -0.118 0.000 1.111 957 F CA -0.083 57.841 58.000 -0.126 0.000 1.359 957 F CB -0.081 38.796 39.000 -0.206 0.000 1.097 957 F HN -0.185 nan 8.300 nan 0.000 0.577 958 K N 1.057 121.463 120.400 0.011 0.000 3.239 958 K HA -0.153 4.019 4.320 -0.247 0.000 0.270 958 K C -1.075 175.478 176.600 -0.079 0.000 1.049 958 K CA 0.283 56.545 56.287 -0.042 0.000 0.769 958 K CB -1.588 30.891 32.500 -0.034 0.000 1.305 958 K HN 0.248 nan 8.250 nan 0.000 0.469 959 L N -0.526 120.633 121.223 -0.105 0.000 2.279 959 L HA 0.680 4.871 4.340 -0.247 0.000 0.262 959 L C -0.039 176.687 176.870 -0.240 0.000 1.019 959 L CA -1.302 53.423 54.840 -0.192 0.000 0.823 959 L CB 1.845 43.772 42.059 -0.220 0.000 1.358 959 L HN -0.128 nan 8.230 nan 0.000 0.432 960 K N 1.059 121.272 120.400 -0.312 0.000 2.589 960 K HA 0.476 4.647 4.320 -0.247 0.000 0.253 960 K C -1.100 175.265 176.600 -0.391 0.000 0.974 960 K CA -0.472 55.622 56.287 -0.322 0.000 0.835 960 K CB 2.147 34.482 32.500 -0.275 0.000 1.272 960 K HN 0.722 nan 8.250 nan 0.000 0.444 961 A N 4.585 127.126 122.820 -0.466 0.000 2.598 961 A HA 0.061 4.233 4.320 -0.247 0.000 0.239 961 A C 0.294 177.694 177.584 -0.305 0.000 1.032 961 A CA 0.453 52.197 52.037 -0.489 0.000 0.760 961 A CB -0.229 18.388 19.000 -0.639 0.000 0.946 961 A HN 0.600 nan 8.150 nan 0.000 0.512 962 L N 1.800 122.811 121.223 -0.353 0.000 2.421 962 L HA 0.278 4.469 4.340 -0.247 0.000 0.263 962 L C 0.493 177.316 176.870 -0.079 0.000 1.122 962 L CA -0.696 53.939 54.840 -0.342 0.000 0.804 962 L CB 0.839 42.442 42.059 -0.760 0.000 1.150 962 L HN 0.800 nan 8.230 nan 0.000 0.457 963 D N 0.106 120.507 120.400 0.003 0.000 2.344 963 D HA 0.089 4.581 4.640 -0.247 0.000 0.244 963 D C 0.747 177.171 176.300 0.206 0.000 1.134 963 D CA -0.348 53.723 54.000 0.118 0.000 0.930 963 D CB 1.126 41.996 40.800 0.117 0.000 1.175 963 D HN 0.294 nan 8.370 nan 0.000 0.437 964 L N 1.953 123.322 121.223 0.242 0.000 2.447 964 L HA -0.084 4.107 4.340 -0.247 0.000 0.225 964 L C 1.822 178.838 176.870 0.243 0.000 1.148 964 L CA 1.652 56.662 54.840 0.284 0.000 0.808 964 L CB -0.414 41.766 42.059 0.202 0.000 0.928 964 L HN 0.529 nan 8.230 nan 0.000 0.448 965 T N -1.960 112.715 114.554 0.201 0.000 2.976 965 T HA -0.075 4.127 4.350 -0.247 0.000 0.257 965 T C 1.736 176.556 174.700 0.200 0.000 1.051 965 T CA 0.797 63.010 62.100 0.189 0.000 1.141 965 T CB 0.070 69.049 68.868 0.184 0.000 0.881 965 T HN 0.409 nan 8.240 nan 0.000 0.461 966 Q N -0.212 119.703 119.800 0.193 0.000 2.119 966 Q HA -0.069 4.122 4.340 -0.247 0.000 0.201 966 Q C 2.057 178.088 176.000 0.052 0.000 0.972 966 Q CA 1.187 57.073 55.803 0.138 0.000 0.847 966 Q CB -0.186 28.592 28.738 0.067 0.000 0.903 966 Q HN 0.599 nan 8.270 nan 0.000 0.433 967 W N 0.629 121.963 121.300 0.056 0.000 2.355 967 W HA -0.209 4.297 4.660 -0.257 0.000 0.309 967 W C 1.901 178.425 176.519 0.008 0.000 1.206 967 W CA 0.007 57.374 57.345 0.038 0.000 1.284 967 W CB -0.107 29.405 29.460 0.086 0.000 1.145 967 W HN 0.148 nan 8.180 nan 0.000 0.502 968 L N -0.213 121.188 121.223 0.297 0.000 2.189 968 L HA -0.255 3.937 4.340 -0.247 0.000 0.214 968 L C 2.290 179.189 176.870 0.047 0.000 1.097 968 L CA 1.781 56.712 54.840 0.151 0.000 0.764 968 L CB -1.125 41.010 42.059 0.127 0.000 0.900 968 L HN 0.071 nan 8.230 nan 0.000 0.436 969 M N -1.962 117.615 119.600 -0.038 0.000 2.288 969 M HA -0.057 4.275 4.480 -0.247 0.000 0.266 969 M C 2.053 178.232 176.300 -0.202 0.000 1.072 969 M CA 1.395 56.536 55.300 -0.265 0.000 1.132 969 M CB -0.346 31.841 32.600 -0.689 0.000 1.386 969 M HN -0.011 nan 8.290 nan 0.000 0.432 970 V N 0.400 120.281 119.914 -0.055 0.000 2.343 970 V HA -0.274 3.697 4.120 -0.247 0.000 0.247 970 V C 2.357 178.488 176.094 0.062 0.000 1.051 970 V CA 1.800 64.115 62.300 0.026 0.000 1.036 970 V CB -0.823 31.125 31.823 0.209 0.000 0.654 970 V HN 0.520 nan 8.190 nan 0.000 0.451 971 L N -0.702 120.578 121.223 0.096 0.000 2.201 971 L HA -0.156 4.035 4.340 -0.247 0.000 0.212 971 L C 2.484 179.372 176.870 0.031 0.000 1.105 971 L CA 1.434 56.315 54.840 0.069 0.000 0.775 971 L CB -0.650 41.449 42.059 0.068 0.000 0.913 971 L HN 0.299 nan 8.230 nan 0.000 0.440 972 K N 0.084 120.480 120.400 -0.007 0.000 2.155 972 K HA -0.081 4.091 4.320 -0.247 0.000 0.203 972 K C 2.032 178.622 176.600 -0.017 0.000 1.052 972 K CA 1.073 57.345 56.287 -0.025 0.000 0.948 972 K CB 0.134 32.589 32.500 -0.075 0.000 0.728 972 K HN 0.266 nan 8.250 nan 0.000 0.448 973 I N -0.075 120.473 120.570 -0.038 0.000 3.035 973 I HA -0.133 3.889 4.170 -0.247 0.000 0.271 973 I C 1.514 177.689 176.117 0.096 0.000 1.190 973 I CA 0.543 61.831 61.300 -0.020 0.000 1.472 973 I CB 0.379 38.309 38.000 -0.115 0.000 1.116 973 I HN 0.006 nan 8.210 nan 0.000 0.443 974 S N 0.811 116.567 115.700 0.093 0.000 2.315 974 S HA 0.007 4.329 4.470 -0.247 0.000 0.211 974 S C 1.806 176.479 174.600 0.122 0.000 1.029 974 S CA 0.449 58.733 58.200 0.139 0.000 0.956 974 S CB -0.325 62.934 63.200 0.099 0.000 0.918 974 S HN 0.215 nan 8.310 nan 0.000 0.470 975 L N 2.599 123.866 121.223 0.073 0.000 2.113 975 L HA -0.154 4.037 4.340 -0.247 0.000 0.221 975 L C -0.698 176.182 176.870 0.016 0.000 1.084 975 L CA 1.979 56.843 54.840 0.040 0.000 0.787 975 L CB -2.858 39.220 42.059 0.033 0.000 0.893 975 L HN 0.304 nan 8.230 nan 0.000 0.440 976 P HA -0.131 nan 4.420 nan 0.000 0.223 976 P C 2.014 179.220 177.300 -0.157 0.000 1.144 976 P CA 0.887 63.984 63.100 -0.006 0.000 0.783 976 P CB -0.055 31.696 31.700 0.084 0.000 0.771 977 V N 0.351 120.124 119.914 -0.234 0.000 2.392 977 V HA -0.229 3.743 4.120 -0.247 0.000 0.249 977 V C 2.458 178.414 176.094 -0.230 0.000 1.059 977 V CA 1.479 63.510 62.300 -0.450 0.000 1.051 977 V CB -0.904 30.754 31.823 -0.274 0.000 0.658 977 V HN -0.024 nan 8.190 nan 0.000 0.455 978 I N 0.248 120.750 120.570 -0.114 0.000 2.264 978 I HA -0.178 3.843 4.170 -0.247 0.000 0.248 978 I C 2.473 178.553 176.117 -0.062 0.000 1.111 978 I CA 1.607 62.867 61.300 -0.066 0.000 1.382 978 I CB -0.918 37.062 38.000 -0.033 0.000 1.060 978 I HN 0.457 nan 8.210 nan 0.000 0.418 979 G N 0.944 109.701 108.800 -0.071 0.000 2.394 979 G HA2 -0.232 3.580 3.960 -0.247 0.000 0.215 979 G HA3 -0.232 3.580 3.960 -0.247 0.000 0.215 979 G C 1.624 176.491 174.900 -0.056 0.000 1.165 979 G CA 0.413 45.484 45.100 -0.049 0.000 0.784 979 G HN 0.267 nan 8.290 nan 0.000 0.535 980 L N 1.055 122.207 121.223 -0.118 0.000 2.012 980 L HA -0.068 4.124 4.340 -0.247 0.000 0.210 980 L C 2.039 178.868 176.870 -0.068 0.000 1.073 980 L CA 2.687 57.456 54.840 -0.119 0.000 0.748 980 L CB -0.687 41.212 42.059 -0.267 0.000 0.891 980 L HN 0.192 nan 8.230 nan 0.000 0.431 981 D N -1.077 119.275 120.400 -0.081 0.000 2.183 981 D HA -0.172 4.320 4.640 -0.247 0.000 0.203 981 D C 2.085 178.403 176.300 0.030 0.000 0.969 981 D CA 0.787 54.765 54.000 -0.036 0.000 0.842 981 D CB 0.148 40.924 40.800 -0.041 0.000 0.957 981 D HN 0.429 nan 8.370 nan 0.000 0.484 982 E N -0.133 120.082 120.200 0.024 0.000 2.085 982 E HA -0.125 4.077 4.350 -0.247 0.000 0.194 982 E C 2.077 178.758 176.600 0.135 0.000 0.994 982 E CA 0.938 57.377 56.400 0.064 0.000 0.801 982 E CB -0.142 29.578 29.700 0.034 0.000 0.743 982 E HN 0.399 nan 8.360 nan 0.000 0.453 983 I N -0.154 120.483 120.570 0.111 0.000 2.252 983 I HA -0.235 3.787 4.170 -0.247 0.000 0.245 983 I C 2.138 178.432 176.117 0.295 0.000 1.102 983 I CA 0.712 62.111 61.300 0.165 0.000 1.385 983 I CB -0.207 37.851 38.000 0.096 0.000 1.064 983 I HN 0.121 nan 8.210 nan 0.000 0.414 984 L N 0.536 121.910 121.223 0.251 0.000 2.083 984 L HA -0.199 3.993 4.340 -0.247 0.000 0.209 984 L C 2.544 179.707 176.870 0.488 0.000 1.083 984 L CA 1.464 56.536 54.840 0.387 0.000 0.752 984 L CB -0.479 41.658 42.059 0.129 0.000 0.899 984 L HN 0.205 nan 8.230 nan 0.000 0.433 985 K N -0.605 119.967 120.400 0.288 0.000 2.062 985 K HA -0.172 3.999 4.320 -0.247 0.000 0.205 985 K C 2.066 178.779 176.600 0.188 0.000 1.051 985 K CA 1.263 57.682 56.287 0.219 0.000 0.941 985 K CB -0.259 32.315 32.500 0.122 0.000 0.719 985 K HN 0.073 nan 8.250 nan 0.000 0.440 986 F N 2.045 122.051 119.950 0.093 0.000 2.154 986 F HA -0.209 4.169 4.527 -0.248 0.000 0.301 986 F C 1.823 177.641 175.800 0.030 0.000 1.087 986 F CA 1.360 59.386 58.000 0.044 0.000 1.274 986 F CB -0.033 39.006 39.000 0.066 0.000 1.009 986 F HN -0.081 nan 8.300 nan 0.000 0.485 987 I N -0.236 120.523 120.570 0.316 0.000 2.353 987 I HA -0.226 3.795 4.170 -0.247 0.000 0.248 987 I C 2.582 178.566 176.117 -0.221 0.000 1.119 987 I CA 1.021 62.430 61.300 0.181 0.000 1.417 987 I CB -0.814 37.347 38.000 0.269 0.000 1.078 987 I HN 0.187 nan 8.210 nan 0.000 0.421 988 A N 0.718 123.417 122.820 -0.201 0.000 2.014 988 A HA -0.102 4.070 4.320 -0.247 0.000 0.218 988 A C 2.371 179.809 177.584 -0.242 0.000 1.163 988 A CA 1.090 52.940 52.037 -0.313 0.000 0.652 988 A CB -0.355 18.659 19.000 0.024 0.000 0.808 988 A HN 0.309 nan 8.150 nan 0.000 0.449 989 R N -0.773 119.567 120.500 -0.266 0.000 2.066 989 R HA 0.013 4.205 4.340 -0.247 0.000 0.224 989 R C 1.048 177.074 176.300 -0.457 0.000 1.122 989 R CA 1.493 57.399 56.100 -0.324 0.000 0.974 989 R CB -0.180 29.918 30.300 -0.337 0.000 0.871 989 R HN 0.510 nan 8.270 nan 0.000 0.435 990 N N -1.094 117.176 118.700 -0.717 0.000 2.299 990 N HA 0.019 4.611 4.740 -0.247 0.000 0.187 990 N C -0.296 174.552 175.510 -1.104 0.000 1.099 990 N CA 0.488 52.968 53.050 -0.949 0.000 0.867 990 N CB 0.653 38.356 38.487 -1.306 0.000 0.974 990 N HN 0.176 nan 8.380 nan 0.000 0.477 991 Y N -0.872 119.283 120.300 -0.242 0.000 2.738 991 Y HA 0.441 4.842 4.550 -0.248 0.000 0.249 991 Y C 0.437 176.187 175.900 -0.250 0.000 1.157 991 Y CA -0.331 57.642 58.100 -0.212 0.000 1.189 991 Y CB 0.510 38.852 38.460 -0.197 0.000 1.262 991 Y HN -0.077 nan 8.280 nan 0.000 0.554 992 L N -0.021 121.084 121.223 -0.196 0.000 3.429 992 L HA 0.307 4.498 4.340 -0.247 0.000 0.311 992 L C -0.253 176.534 176.870 -0.138 0.000 1.274 992 L CA 0.084 54.812 54.840 -0.186 0.000 1.037 992 L CB 0.803 42.696 42.059 -0.278 0.000 1.433 992 L HN -0.096 nan 8.230 nan 0.000 0.614 993 E N 1.568 121.685 120.200 -0.139 0.000 2.081 993 E HA 0.680 4.882 4.350 -0.247 0.000 0.281 993 E C 0.178 176.730 176.600 -0.079 0.000 0.986 993 E CA 0.004 56.338 56.400 -0.110 0.000 0.796 993 E CB 1.929 31.549 29.700 -0.133 0.000 1.085 993 E HN 0.290 nan 8.360 nan 0.000 0.398 994 G N 0.000 108.765 108.800 -0.059 0.000 5.446 994 G HA2 0.000 3.812 3.960 -0.247 0.000 0.244 994 G HA3 0.000 3.812 3.960 -0.247 0.000 0.244 994 G CA 0.000 45.074 45.100 -0.043 0.000 0.502 994 G HN 0.000 nan 8.290 nan 0.000 0.925