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 2eat_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 0.000 176.345 176.300 0.075 0.000 1.140 1 M CA 0.000 55.260 55.300 -0.067 0.000 0.988 1 M CB 0.000 32.563 32.600 -0.062 0.000 1.302 2 E N 1.232 121.424 120.200 -0.013 0.000 2.235 2 E HA 0.774 5.129 4.350 0.009 0.000 0.265 2 E C -0.429 176.079 176.600 -0.153 0.000 0.940 2 E CA -0.223 56.000 56.400 -0.294 0.000 0.819 2 E CB 2.160 31.593 29.700 -0.444 0.000 1.206 2 E HN 0.718 nan 8.360 nan 0.000 0.409 3 A N 1.571 124.276 122.820 -0.191 0.000 3.106 3 A HA 0.581 4.907 4.320 0.009 0.000 0.306 3 A C -0.573 176.936 177.584 -0.126 0.000 1.192 3 A CA 0.005 51.991 52.037 -0.084 0.000 0.994 3 A CB 0.087 19.057 19.000 -0.051 0.000 1.107 3 A HN 0.338 nan 8.150 nan 0.000 0.585 4 A N 0.901 123.631 122.820 -0.151 0.000 2.476 4 A HA 0.576 4.902 4.320 0.009 0.000 0.280 4 A C 0.104 177.593 177.584 -0.159 0.000 1.081 4 A CA -0.386 51.484 52.037 -0.278 0.000 0.753 4 A CB 0.404 19.235 19.000 -0.283 0.000 1.248 4 A HN 0.643 nan 8.150 nan 0.000 0.424 5 H N 0.825 119.874 119.070 -0.035 0.000 2.827 5 H HA 0.132 4.694 4.556 0.010 0.000 0.269 5 H C 0.743 176.055 175.328 -0.026 0.000 1.031 5 H CA 0.834 56.867 56.048 -0.026 0.000 1.202 5 H CB 0.151 29.913 29.762 -0.001 0.000 1.511 5 H HN 0.573 nan 8.280 nan 0.000 0.517 6 S N 0.361 115.719 115.700 -0.570 0.000 2.557 6 S HA 0.214 4.690 4.470 0.009 0.000 0.223 6 S C 0.487 174.969 174.600 -0.196 0.000 0.969 6 S CA -0.556 57.426 58.200 -0.363 0.000 0.927 6 S CB 0.493 63.381 63.200 -0.520 0.000 0.806 6 S HN 0.061 nan 8.310 nan 0.000 0.489 7 K N 2.379 122.679 120.400 -0.166 0.000 2.281 7 K HA 0.501 4.826 4.320 0.009 0.000 0.242 7 K C 0.208 176.769 176.600 -0.064 0.000 0.971 7 K CA -0.425 55.797 56.287 -0.110 0.000 0.834 7 K CB 1.722 34.147 32.500 -0.126 0.000 1.181 7 K HN 0.327 nan 8.250 nan 0.000 0.435 8 S N -0.484 115.189 115.700 -0.045 0.000 2.596 8 S HA -0.000 4.475 4.470 0.009 0.000 0.260 8 S C 1.336 175.928 174.600 -0.013 0.000 1.336 8 S CA 0.378 58.562 58.200 -0.027 0.000 0.993 8 S CB 0.325 63.512 63.200 -0.021 0.000 0.923 8 S HN 0.621 nan 8.310 nan 0.000 0.567 9 T N -0.287 114.264 114.554 -0.005 0.000 2.777 9 T HA -0.095 4.260 4.350 0.009 0.000 0.266 9 T C 1.348 176.060 174.700 0.020 0.000 1.040 9 T CA 1.443 63.548 62.100 0.008 0.000 1.141 9 T CB -0.803 68.068 68.868 0.005 0.000 0.868 9 T HN 0.702 nan 8.240 nan 0.000 0.444 10 E N 1.788 121.996 120.200 0.012 0.000 2.033 10 E HA -0.155 4.201 4.350 0.009 0.000 0.199 10 E C 2.282 178.900 176.600 0.029 0.000 1.011 10 E CA 1.718 58.129 56.400 0.019 0.000 0.815 10 E CB -0.462 29.243 29.700 0.008 0.000 0.755 10 E HN 0.663 nan 8.360 nan 0.000 0.451 11 E N -0.441 119.767 120.200 0.014 0.000 2.114 11 E HA -0.239 4.117 4.350 0.009 0.000 0.199 11 E C 2.025 178.648 176.600 0.038 0.000 1.008 11 E CA 1.518 57.927 56.400 0.014 0.000 0.810 11 E CB -0.203 29.487 29.700 -0.016 0.000 0.739 11 E HN 0.307 nan 8.360 nan 0.000 0.456 12 C N 0.025 119.349 119.300 0.040 0.000 2.450 12 C HA -0.016 4.449 4.460 0.009 0.000 0.279 12 C C 2.475 177.597 174.990 0.219 0.000 1.335 12 C CA 0.136 59.209 59.018 0.092 0.000 1.749 12 C CB -0.753 27.047 27.740 0.100 0.000 1.963 12 C HN 0.384 nan 8.230 nan 0.000 0.501 13 L N 1.095 122.414 121.223 0.161 0.000 2.023 13 L HA -0.079 4.266 4.340 0.009 0.000 0.205 13 L C 2.893 179.867 176.870 0.172 0.000 1.073 13 L CA 1.578 56.526 54.840 0.180 0.000 0.745 13 L CB -0.759 41.361 42.059 0.101 0.000 0.900 13 L HN 0.271 nan 8.230 nan 0.000 0.435 14 A N -0.976 121.906 122.820 0.105 0.000 2.024 14 A HA -0.284 4.041 4.320 0.009 0.000 0.220 14 A C 2.138 179.743 177.584 0.035 0.000 1.164 14 A CA 1.412 53.487 52.037 0.063 0.000 0.643 14 A CB -0.867 18.155 19.000 0.037 0.000 0.806 14 A HN 0.486 nan 8.150 nan 0.000 0.451 15 Y N -0.334 119.895 120.300 -0.119 0.000 2.049 15 Y HA -0.242 4.314 4.550 0.009 0.000 0.277 15 Y C 1.551 177.258 175.900 -0.322 0.000 1.143 15 Y CA 2.357 60.261 58.100 -0.327 0.000 1.115 15 Y CB -0.349 37.745 38.460 -0.611 0.000 0.975 15 Y HN 0.290 nan 8.280 nan 0.000 0.487 16 F N 0.618 120.669 119.950 0.167 0.000 2.731 16 F HA 0.262 4.795 4.527 0.009 0.000 0.304 16 F C 1.610 177.474 175.800 0.107 0.000 1.133 16 F CA 0.355 58.434 58.000 0.131 0.000 1.380 16 F CB -0.504 38.658 39.000 0.269 0.000 1.079 16 F HN 0.194 nan 8.300 nan 0.000 0.550 17 G N 1.720 110.627 108.800 0.177 0.000 2.412 17 G HA2 -0.227 3.739 3.960 0.009 0.000 0.297 17 G HA3 -0.227 3.739 3.960 0.009 0.000 0.297 17 G C -0.129 174.857 174.900 0.143 0.000 0.965 17 G CA 0.334 45.508 45.100 0.124 0.000 1.134 17 G HN 0.268 nan 8.290 nan 0.000 0.511 18 V N -1.025 118.992 119.914 0.171 0.000 2.732 18 V HA 0.824 4.950 4.120 0.009 0.000 0.310 18 V C 0.672 176.814 176.094 0.080 0.000 1.053 18 V CA -0.446 61.926 62.300 0.119 0.000 0.957 18 V CB 1.928 33.827 31.823 0.126 0.000 1.018 18 V HN 0.584 nan 8.190 nan 0.000 0.452 19 S N 0.271 115.999 115.700 0.048 0.000 2.462 19 S HA 0.255 4.731 4.470 0.009 0.000 0.294 19 S C 0.850 175.455 174.600 0.009 0.000 1.144 19 S CA -0.438 57.778 58.200 0.026 0.000 1.088 19 S CB 1.266 64.475 63.200 0.015 0.000 1.009 19 S HN 0.935 nan 8.310 nan 0.000 0.484 20 E N 2.298 122.495 120.200 -0.005 0.000 2.204 20 E HA -0.140 4.216 4.350 0.009 0.000 0.195 20 E C 1.434 177.981 176.600 -0.088 0.000 0.990 20 E CA 1.752 58.130 56.400 -0.037 0.000 0.821 20 E CB -0.005 29.673 29.700 -0.038 0.000 0.750 20 E HN 0.888 nan 8.360 nan 0.000 0.477 21 T N -2.956 111.558 114.554 -0.067 0.000 3.031 21 T HA -0.035 4.321 4.350 0.009 0.000 0.254 21 T C 2.001 176.670 174.700 -0.051 0.000 1.060 21 T CA 1.078 63.125 62.100 -0.087 0.000 1.135 21 T CB -0.006 68.828 68.868 -0.056 0.000 0.896 21 T HN 0.176 nan 8.240 nan 0.000 0.472 22 T N -1.577 112.970 114.554 -0.012 0.000 3.034 22 T HA 0.513 4.869 4.350 0.009 0.000 0.248 22 T C 1.483 176.209 174.700 0.043 0.000 1.040 22 T CA 0.650 62.763 62.100 0.022 0.000 1.107 22 T CB -0.536 68.343 68.868 0.018 0.000 0.932 22 T HN 1.074 nan 8.240 nan 0.000 0.474 23 G N 1.649 110.468 108.800 0.032 0.000 2.698 23 G HA2 -0.145 3.821 3.960 0.009 0.000 0.233 23 G HA3 -0.145 3.821 3.960 0.009 0.000 0.233 23 G C -0.607 174.302 174.900 0.015 0.000 1.352 23 G CA -0.407 44.716 45.100 0.038 0.000 0.879 23 G HN 0.678 nan 8.290 nan 0.000 0.567 24 L N 1.414 122.630 121.223 -0.012 0.000 2.426 24 L HA 0.430 4.775 4.340 0.009 0.000 0.271 24 L C 1.765 178.604 176.870 -0.051 0.000 1.169 24 L CA 0.175 54.977 54.840 -0.063 0.000 0.836 24 L CB 0.861 42.834 42.059 -0.144 0.000 1.112 24 L HN 1.030 nan 8.230 nan 0.000 0.465 25 T N -0.369 114.151 114.554 -0.056 0.000 2.882 25 T HA 0.227 4.583 4.350 0.009 0.000 0.287 25 T C -1.521 173.151 174.700 -0.047 0.000 1.014 25 T CA -1.749 60.330 62.100 -0.036 0.000 1.049 25 T CB 1.286 70.142 68.868 -0.020 0.000 1.001 25 T HN 0.438 nan 8.240 nan 0.000 0.525 26 P HA -0.158 nan 4.420 nan 0.000 0.217 26 P C 0.844 178.132 177.300 -0.022 0.000 1.148 26 P CA 1.474 64.561 63.100 -0.021 0.000 0.834 26 P CB 0.086 31.781 31.700 -0.009 0.000 0.783 27 D N -0.810 119.577 120.400 -0.021 0.000 2.120 27 D HA -0.121 4.525 4.640 0.009 0.000 0.202 27 D C 2.291 178.579 176.300 -0.020 0.000 0.972 27 D CA 0.782 54.776 54.000 -0.010 0.000 0.837 27 D CB -0.254 40.546 40.800 0.000 0.000 0.989 27 D HN 0.058 nan 8.370 nan 0.000 0.469 28 Q N -0.117 119.645 119.800 -0.064 0.000 2.096 28 Q HA -0.189 4.157 4.340 0.009 0.000 0.208 28 Q C 2.365 178.208 176.000 -0.260 0.000 0.993 28 Q CA 1.669 57.362 55.803 -0.184 0.000 0.862 28 Q CB -0.156 28.408 28.738 -0.289 0.000 0.915 28 Q HN 0.248 nan 8.270 nan 0.000 0.416 29 V N 1.131 120.940 119.914 -0.175 0.000 2.252 29 V HA -0.336 3.789 4.120 0.009 0.000 0.249 29 V C 2.155 178.258 176.094 0.015 0.000 1.056 29 V CA 2.144 64.394 62.300 -0.084 0.000 1.022 29 V CB -0.550 31.248 31.823 -0.041 0.000 0.641 29 V HN 0.316 nan 8.190 nan 0.000 0.445 30 K N -0.475 119.935 120.400 0.016 0.000 2.009 30 K HA -0.185 4.140 4.320 0.009 0.000 0.210 30 K C 2.448 179.085 176.600 0.062 0.000 1.049 30 K CA 1.708 58.017 56.287 0.038 0.000 0.929 30 K CB -0.253 32.262 32.500 0.024 0.000 0.714 30 K HN 0.375 nan 8.250 nan 0.000 0.440 31 R N -0.349 120.202 120.500 0.086 0.000 2.080 31 R HA -0.149 4.197 4.340 0.009 0.000 0.236 31 R C 2.284 178.685 176.300 0.169 0.000 1.137 31 R CA 1.743 57.916 56.100 0.123 0.000 0.943 31 R CB -0.502 29.904 30.300 0.176 0.000 0.846 31 R HN 0.497 nan 8.270 nan 0.000 0.431 32 H N -0.076 119.027 119.070 0.054 0.000 2.321 32 H HA -0.120 4.442 4.556 0.009 0.000 0.300 32 H C 2.171 177.574 175.328 0.125 0.000 1.087 32 H CA 1.040 57.177 56.048 0.148 0.000 1.319 32 H CB -0.010 29.882 29.762 0.216 0.000 1.379 32 H HN 0.048 nan 8.280 nan 0.000 0.501 33 L N 1.689 123.035 121.223 0.205 0.000 2.187 33 L HA -0.172 4.173 4.340 0.009 0.000 0.213 33 L C 1.881 178.733 176.870 -0.029 0.000 1.100 33 L CA 1.572 56.460 54.840 0.080 0.000 0.765 33 L CB -0.318 41.776 42.059 0.058 0.000 0.904 33 L HN 0.233 nan 8.230 nan 0.000 0.437 34 E N -1.127 119.056 120.200 -0.029 0.000 2.086 34 E HA -0.196 4.160 4.350 0.009 0.000 0.190 34 E C 2.085 178.601 176.600 -0.139 0.000 0.975 34 E CA 0.728 57.082 56.400 -0.076 0.000 0.813 34 E CB -0.053 29.616 29.700 -0.051 0.000 0.768 34 E HN 0.390 nan 8.360 nan 0.000 0.457 35 K N 0.034 120.290 120.400 -0.241 0.000 2.097 35 K HA -0.150 4.176 4.320 0.009 0.000 0.206 35 K C 1.048 177.346 176.600 -0.504 0.000 1.049 35 K CA 1.433 57.411 56.287 -0.514 0.000 0.933 35 K CB 0.106 32.030 32.500 -0.961 0.000 0.717 35 K HN 0.195 nan 8.250 nan 0.000 0.442 36 Y N -1.040 119.249 120.300 -0.018 0.000 2.426 36 Y HA 0.260 4.815 4.550 0.009 0.000 0.249 36 Y C 0.880 176.754 175.900 -0.043 0.000 1.103 36 Y CA -0.243 57.849 58.100 -0.012 0.000 1.256 36 Y CB 1.378 39.846 38.460 0.013 0.000 1.208 36 Y HN 0.240 nan 8.280 nan 0.000 0.519 37 G N 0.661 109.462 108.800 0.002 0.000 2.725 37 G HA2 -0.203 3.762 3.960 0.009 0.000 0.220 37 G HA3 -0.203 3.762 3.960 0.009 0.000 0.220 37 G C -0.861 173.944 174.900 -0.158 0.000 1.357 37 G CA -0.722 44.291 45.100 -0.145 0.000 0.866 37 G HN 0.312 nan 8.290 nan 0.000 0.548 38 H N 0.075 119.187 119.070 0.070 0.000 2.508 38 H HA 0.338 4.900 4.556 0.009 0.000 0.358 38 H C 0.904 176.264 175.328 0.054 0.000 1.212 38 H CA -0.167 55.915 56.048 0.058 0.000 1.356 38 H CB 0.866 30.652 29.762 0.039 0.000 1.525 38 H HN 0.483 nan 8.280 nan 0.000 0.578 39 N N 1.854 120.658 118.700 0.174 0.000 3.103 39 N HA -0.044 4.702 4.740 0.009 0.000 0.305 39 N C -0.876 174.687 175.510 0.088 0.000 1.232 39 N CA -0.100 53.011 53.050 0.101 0.000 1.190 39 N CB -0.503 38.027 38.487 0.072 0.000 1.461 39 N HN 0.603 nan 8.380 nan 0.000 0.538 40 E N 0.424 120.680 120.200 0.093 0.000 2.352 40 E HA 0.283 4.639 4.350 0.009 0.000 0.280 40 E C -0.921 175.715 176.600 0.061 0.000 0.930 40 E CA -0.898 55.545 56.400 0.071 0.000 0.765 40 E CB 0.890 30.633 29.700 0.072 0.000 1.219 40 E HN 0.014 nan 8.360 nan 0.000 0.434 41 L N 2.330 123.580 121.223 0.045 0.000 2.397 41 L HA 0.359 4.705 4.340 0.009 0.000 0.271 41 L C -1.766 175.123 176.870 0.032 0.000 1.148 41 L CA -1.990 52.871 54.840 0.036 0.000 0.825 41 L CB -0.189 41.886 42.059 0.028 0.000 1.117 41 L HN 0.448 nan 8.230 nan 0.000 0.456 42 P HA -0.002 nan 4.420 nan 0.000 0.267 42 P C -0.532 176.777 177.300 0.013 0.000 1.201 42 P CA -0.261 62.853 63.100 0.024 0.000 0.775 42 P CB 0.490 32.202 31.700 0.019 0.000 0.854 43 A N 2.405 125.231 122.820 0.011 0.000 2.386 43 A HA 0.208 4.534 4.320 0.009 0.000 0.248 43 A C 0.092 177.674 177.584 -0.004 0.000 1.082 43 A CA -0.250 51.788 52.037 0.001 0.000 0.789 43 A CB -0.197 18.804 19.000 0.001 0.000 1.025 43 A HN 0.552 nan 8.150 nan 0.000 0.490 44 E N 0.447 120.640 120.200 -0.011 0.000 2.133 44 E HA 0.322 4.678 4.350 0.009 0.000 0.274 44 E C -0.402 176.186 176.600 -0.020 0.000 0.930 44 E CA -0.160 56.231 56.400 -0.015 0.000 0.770 44 E CB 1.479 31.168 29.700 -0.018 0.000 1.104 44 E HN 0.715 nan 8.360 nan 0.000 0.403 45 E N 1.898 122.084 120.200 -0.024 0.000 2.481 45 E HA 0.067 4.422 4.350 0.009 0.000 0.198 45 E C 0.635 177.210 176.600 -0.043 0.000 1.027 45 E CA -0.246 56.136 56.400 -0.031 0.000 0.900 45 E CB 0.652 30.334 29.700 -0.029 0.000 0.993 45 E HN 0.578 nan 8.360 nan 0.000 0.482 46 G N 2.018 110.795 108.800 -0.039 0.000 3.541 46 G HA2 0.029 3.995 3.960 0.009 0.000 0.253 46 G HA3 0.029 3.995 3.960 0.009 0.000 0.253 46 G C 0.250 175.122 174.900 -0.046 0.000 1.017 46 G CA -0.186 44.886 45.100 -0.046 0.000 1.832 46 G HN -0.025 nan 8.290 nan 0.000 0.649 47 K N -0.136 120.233 120.400 -0.053 0.000 2.679 47 K HA 0.196 4.521 4.320 0.009 0.000 0.280 47 K C 1.499 178.073 176.600 -0.043 0.000 1.040 47 K CA 0.101 56.362 56.287 -0.042 0.000 1.002 47 K CB 0.276 32.753 32.500 -0.038 0.000 1.276 47 K HN 0.239 nan 8.250 nan 0.000 0.492 48 S N 0.031 115.716 115.700 -0.025 0.000 2.605 48 S HA 0.066 4.542 4.470 0.009 0.000 0.217 48 S C 0.534 175.137 174.600 0.004 0.000 0.958 48 S CA -0.303 57.894 58.200 -0.005 0.000 0.919 48 S CB -0.201 63.007 63.200 0.013 0.000 0.780 48 S HN 0.254 nan 8.310 nan 0.000 0.507 49 L N 2.398 123.596 121.223 -0.041 0.000 2.476 49 L HA 0.237 4.583 4.340 0.009 0.000 0.264 49 L C 1.413 178.253 176.870 -0.050 0.000 1.224 49 L CA -0.281 54.530 54.840 -0.048 0.000 0.821 49 L CB 0.043 41.977 42.059 -0.209 0.000 1.101 49 L HN 0.588 nan 8.230 nan 0.000 0.488 50 W N 0.851 122.161 121.300 0.018 0.000 2.436 50 W HA -0.217 4.448 4.660 0.009 0.000 0.261 50 W C 1.708 178.240 176.519 0.022 0.000 1.222 50 W CA 0.931 58.289 57.345 0.022 0.000 1.191 50 W CB -0.668 28.809 29.460 0.029 0.000 1.132 50 W HN 0.749 nan 8.180 nan 0.000 0.596 51 E N 1.638 121.556 120.200 -0.470 0.000 2.169 51 E HA -0.303 4.053 4.350 0.009 0.000 0.202 51 E C 1.757 178.307 176.600 -0.084 0.000 1.016 51 E CA 2.708 58.912 56.400 -0.327 0.000 0.817 51 E CB -0.742 28.757 29.700 -0.336 0.000 0.736 51 E HN 0.579 nan 8.360 nan 0.000 0.462 52 L N -0.711 120.488 121.223 -0.039 0.000 2.011 52 L HA -0.315 4.031 4.340 0.009 0.000 0.225 52 L C 2.536 179.410 176.870 0.007 0.000 1.084 52 L CA 1.993 56.833 54.840 -0.001 0.000 0.791 52 L CB -1.045 41.030 42.059 0.026 0.000 0.898 52 L HN 0.100 nan 8.230 nan 0.000 0.440 53 V N -0.527 119.423 119.914 0.060 0.000 2.346 53 V HA -0.212 3.913 4.120 0.009 0.000 0.244 53 V C 2.219 178.359 176.094 0.077 0.000 1.037 53 V CA 1.696 64.003 62.300 0.012 0.000 1.029 53 V CB -0.211 31.663 31.823 0.085 0.000 0.663 53 V HN 0.384 nan 8.190 nan 0.000 0.454 54 I N -0.160 120.562 120.570 0.252 0.000 2.423 54 I HA -0.243 3.933 4.170 0.009 0.000 0.254 54 I C 2.526 178.744 176.117 0.169 0.000 1.151 54 I CA 1.576 63.051 61.300 0.292 0.000 1.421 54 I CB -0.065 38.136 38.000 0.334 0.000 1.079 54 I HN 0.412 nan 8.210 nan 0.000 0.431 55 E N 0.102 120.349 120.200 0.077 0.000 2.046 55 E HA -0.284 4.072 4.350 0.009 0.000 0.190 55 E C 2.056 178.664 176.600 0.014 0.000 0.982 55 E CA 1.125 57.546 56.400 0.035 0.000 0.800 55 E CB -0.152 29.548 29.700 0.001 0.000 0.756 55 E HN 0.483 nan 8.360 nan 0.000 0.449 56 Q N 0.078 119.842 119.800 -0.061 0.000 2.181 56 Q HA -0.153 4.193 4.340 0.009 0.000 0.205 56 Q C 1.540 177.447 176.000 -0.155 0.000 0.980 56 Q CA 1.388 57.092 55.803 -0.165 0.000 0.862 56 Q CB -0.255 28.292 28.738 -0.319 0.000 0.905 56 Q HN 0.161 nan 8.270 nan 0.000 0.429 57 F N -0.081 119.887 119.950 0.029 0.000 2.780 57 F HA 0.148 4.680 4.527 0.009 0.000 0.299 57 F C 1.873 177.682 175.800 0.015 0.000 1.146 57 F CA 0.537 58.548 58.000 0.019 0.000 1.428 57 F CB -0.100 38.913 39.000 0.022 0.000 1.115 57 F HN 0.221 nan 8.300 nan 0.000 0.583 58 E N 0.084 120.386 120.200 0.170 0.000 2.418 58 E HA -0.135 4.220 4.350 0.009 0.000 0.197 58 E C 0.314 176.958 176.600 0.074 0.000 1.026 58 E CA 0.027 56.491 56.400 0.107 0.000 0.862 58 E CB 0.037 29.781 29.700 0.073 0.000 0.799 58 E HN 0.142 nan 8.360 nan 0.000 0.518 59 D N -0.606 119.838 120.400 0.073 0.000 2.362 59 D HA 0.007 4.652 4.640 0.009 0.000 0.242 59 D C 1.246 177.574 176.300 0.047 0.000 1.132 59 D CA 0.031 54.061 54.000 0.050 0.000 0.907 59 D CB 1.062 41.888 40.800 0.043 0.000 1.195 59 D HN -0.010 nan 8.370 nan 0.000 0.429 60 L N 1.841 123.080 121.223 0.025 0.000 1.961 60 L HA -0.155 4.190 4.340 0.009 0.000 0.210 60 L C 2.265 179.141 176.870 0.009 0.000 1.072 60 L CA 0.892 55.737 54.840 0.009 0.000 0.749 60 L CB -0.391 41.662 42.059 -0.010 0.000 0.889 60 L HN 0.456 nan 8.230 nan 0.000 0.432 61 L N -0.435 120.792 121.223 0.006 0.000 2.642 61 L HA -0.127 4.219 4.340 0.009 0.000 0.236 61 L C 1.920 178.811 176.870 0.035 0.000 1.169 61 L CA 0.143 54.988 54.840 0.008 0.000 0.851 61 L CB -0.411 41.653 42.059 0.009 0.000 0.968 61 L HN 0.185 nan 8.230 nan 0.000 0.453 62 V N -1.054 118.894 119.914 0.057 0.000 2.581 62 V HA -0.066 4.059 4.120 0.009 0.000 0.240 62 V C 2.412 178.557 176.094 0.085 0.000 1.054 62 V CA 0.800 63.161 62.300 0.102 0.000 1.076 62 V CB -0.281 31.640 31.823 0.163 0.000 0.748 62 V HN 0.316 nan 8.190 nan 0.000 0.474 63 R N 0.092 120.629 120.500 0.062 0.000 2.091 63 R HA -0.090 4.256 4.340 0.009 0.000 0.238 63 R C 2.249 178.544 176.300 -0.008 0.000 1.136 63 R CA 1.758 57.870 56.100 0.021 0.000 0.959 63 R CB -0.440 29.870 30.300 0.015 0.000 0.856 63 R HN 0.411 nan 8.270 nan 0.000 0.437 64 I N 0.268 120.833 120.570 -0.008 0.000 2.286 64 I HA -0.261 3.915 4.170 0.009 0.000 0.248 64 I C 1.854 177.957 176.117 -0.023 0.000 1.115 64 I CA 0.891 62.177 61.300 -0.024 0.000 1.392 64 I CB -0.009 37.975 38.000 -0.027 0.000 1.065 64 I HN 0.142 nan 8.210 nan 0.000 0.418 65 L N -0.354 120.866 121.223 -0.004 0.000 2.554 65 L HA -0.023 4.323 4.340 0.009 0.000 0.226 65 L C 1.700 178.563 176.870 -0.012 0.000 1.137 65 L CA 1.069 55.908 54.840 -0.001 0.000 0.863 65 L CB 0.027 42.098 42.059 0.020 0.000 0.985 65 L HN 0.152 nan 8.230 nan 0.000 0.451 66 L N -1.886 119.322 121.223 -0.026 0.000 2.316 66 L HA 0.069 4.414 4.340 0.009 0.000 0.207 66 L C 2.002 178.827 176.870 -0.075 0.000 1.070 66 L CA 0.989 55.789 54.840 -0.066 0.000 0.820 66 L CB -0.293 41.702 42.059 -0.107 0.000 0.992 66 L HN 0.238 nan 8.230 nan 0.000 0.466 67 L N 0.467 121.649 121.223 -0.068 0.000 2.046 67 L HA -0.035 4.310 4.340 0.009 0.000 0.208 67 L C 2.301 179.118 176.870 -0.088 0.000 1.077 67 L CA 2.136 56.928 54.840 -0.081 0.000 0.747 67 L CB -0.894 41.115 42.059 -0.083 0.000 0.896 67 L HN 0.223 nan 8.230 nan 0.000 0.432 68 A N -1.017 121.759 122.820 -0.073 0.000 2.209 68 A HA 0.231 4.557 4.320 0.009 0.000 0.212 68 A C 2.273 179.840 177.584 -0.029 0.000 1.158 68 A CA 1.076 53.074 52.037 -0.064 0.000 0.742 68 A CB -0.802 18.170 19.000 -0.047 0.000 0.790 68 A HN 0.577 nan 8.150 nan 0.000 0.472 69 A N -1.222 121.580 122.820 -0.029 0.000 1.943 69 A HA 0.012 4.337 4.320 0.009 0.000 0.213 69 A C 2.143 179.736 177.584 0.015 0.000 1.181 69 A CA 1.282 53.313 52.037 -0.010 0.000 0.653 69 A CB -0.909 18.067 19.000 -0.039 0.000 0.833 69 A HN 0.552 nan 8.150 nan 0.000 0.451 70 C N -0.425 118.866 119.300 -0.015 0.000 2.446 70 C HA -0.004 4.462 4.460 0.009 0.000 0.277 70 C C 2.500 177.537 174.990 0.079 0.000 1.275 70 C CA 0.803 59.831 59.018 0.017 0.000 1.727 70 C CB -1.330 26.392 27.740 -0.029 0.000 2.010 70 C HN 0.616 nan 8.230 nan 0.000 0.486 71 I N 0.941 121.519 120.570 0.014 0.000 2.208 71 I HA -0.211 3.964 4.170 0.009 0.000 0.245 71 I C 2.714 178.894 176.117 0.105 0.000 1.097 71 I CA 1.720 63.035 61.300 0.025 0.000 1.363 71 I CB -0.470 37.424 38.000 -0.177 0.000 1.051 71 I HN 0.299 nan 8.210 nan 0.000 0.413 72 S N 0.189 115.937 115.700 0.080 0.000 2.402 72 S HA -0.181 4.294 4.470 0.009 0.000 0.229 72 S C 1.964 176.629 174.600 0.108 0.000 1.021 72 S CA 1.150 59.403 58.200 0.088 0.000 0.974 72 S CB -0.329 62.910 63.200 0.065 0.000 0.800 72 S HN 0.425 nan 8.310 nan 0.000 0.484 73 F N 1.436 121.374 119.950 -0.020 0.000 2.206 73 F HA 0.056 4.588 4.527 0.009 0.000 0.298 73 F C 2.083 177.891 175.800 0.013 0.000 1.090 73 F CA 0.981 58.950 58.000 -0.052 0.000 1.323 73 F CB -0.341 38.615 39.000 -0.073 0.000 1.028 73 F HN 0.023 nan 8.300 nan 0.000 0.492 74 V N 0.457 120.466 119.914 0.160 0.000 2.427 74 V HA -0.285 3.840 4.120 0.009 0.000 0.248 74 V C 2.393 178.636 176.094 0.247 0.000 1.051 74 V CA 1.709 64.107 62.300 0.164 0.000 1.048 74 V CB -0.583 31.386 31.823 0.243 0.000 0.666 74 V HN 0.326 nan 8.190 nan 0.000 0.456 75 L N 0.215 121.568 121.223 0.217 0.000 2.093 75 L HA -0.020 4.326 4.340 0.009 0.000 0.208 75 L C 1.863 178.821 176.870 0.147 0.000 1.085 75 L CA 1.150 56.123 54.840 0.221 0.000 0.755 75 L CB -0.527 41.638 42.059 0.178 0.000 0.904 75 L HN 0.331 nan 8.230 nan 0.000 0.435 76 A N -1.488 121.343 122.820 0.017 0.000 3.051 76 A HA -0.054 4.272 4.320 0.009 0.000 0.257 76 A C 0.775 178.350 177.584 -0.015 0.000 1.785 76 A CA 0.037 52.022 52.037 -0.088 0.000 1.420 76 A CB -0.834 17.986 19.000 -0.301 0.000 1.063 76 A HN 0.667 nan 8.150 nan 0.000 0.630 77 W N -0.518 120.666 121.300 -0.194 0.000 5.075 77 W HA 0.117 4.782 4.660 0.009 0.000 0.157 77 W C -1.217 175.122 176.519 -0.299 0.000 1.039 77 W CA -0.042 57.128 57.345 -0.291 0.000 1.759 77 W CB 0.065 29.245 29.460 -0.467 0.000 0.514 77 W HN 0.293 nan 8.180 nan 0.000 1.081 78 F N 3.665 123.734 119.950 0.199 0.000 2.438 78 F HA 0.335 4.867 4.527 0.009 0.000 0.360 78 F C 0.142 175.967 175.800 0.041 0.000 1.118 78 F CA 0.767 58.826 58.000 0.097 0.000 1.164 78 F CB 0.507 39.561 39.000 0.089 0.000 1.131 78 F HN -0.372 nan 8.300 nan 0.000 0.527 79 E N 2.382 122.667 120.200 0.141 0.000 2.356 79 E HA 0.428 4.784 4.350 0.009 0.000 0.275 79 E C -0.819 175.810 176.600 0.047 0.000 0.904 79 E CA -0.837 55.607 56.400 0.074 0.000 0.757 79 E CB 2.664 32.374 29.700 0.017 0.000 1.232 79 E HN 0.584 nan 8.360 nan 0.000 0.442 80 E N -0.185 120.038 120.200 0.038 0.000 2.504 80 E HA 0.624 4.980 4.350 0.009 0.000 0.235 80 E C 0.360 176.967 176.600 0.011 0.000 0.827 80 E CA -0.396 56.017 56.400 0.021 0.000 0.903 80 E CB 1.532 31.244 29.700 0.021 0.000 1.622 80 E HN 0.611 nan 8.360 nan 0.000 0.392 81 G N 0.879 109.683 108.800 0.006 0.000 4.163 81 G HA2 -0.355 3.611 3.960 0.009 0.000 0.300 81 G HA3 -0.355 3.611 3.960 0.009 0.000 0.300 81 G C 0.498 175.397 174.900 -0.002 0.000 1.488 81 G CA 0.636 45.739 45.100 0.006 0.000 1.052 81 G HN 0.536 nan 8.290 nan 0.000 0.687 82 E N 1.486 121.683 120.200 -0.005 0.000 2.630 82 E HA 0.344 4.700 4.350 0.009 0.000 0.218 82 E C 0.033 176.619 176.600 -0.024 0.000 0.977 82 E CA 0.307 56.699 56.400 -0.013 0.000 1.038 82 E CB 0.551 30.243 29.700 -0.012 0.000 1.051 82 E HN 0.648 nan 8.360 nan 0.000 0.487 83 E N 1.274 121.459 120.200 -0.025 0.000 2.238 83 E HA -0.173 4.183 4.350 0.009 0.000 0.219 83 E C -0.767 175.800 176.600 -0.055 0.000 1.275 83 E CA 0.577 56.952 56.400 -0.042 0.000 0.714 83 E CB -1.334 28.337 29.700 -0.049 0.000 1.154 83 E HN 0.130 nan 8.360 nan 0.000 0.363 84 T N -0.238 114.290 114.554 -0.044 0.000 2.909 84 T HA 0.385 4.740 4.350 0.009 0.000 0.286 84 T C 1.529 176.197 174.700 -0.053 0.000 1.002 84 T CA -0.542 61.529 62.100 -0.048 0.000 1.074 84 T CB 0.944 69.790 68.868 -0.037 0.000 0.984 84 T HN 0.171 nan 8.240 nan 0.000 0.495 85 I N 0.722 121.250 120.570 -0.070 0.000 3.428 85 I HA -0.031 4.145 4.170 0.009 0.000 0.286 85 I C 2.072 178.169 176.117 -0.034 0.000 1.287 85 I CA 0.425 61.675 61.300 -0.084 0.000 1.396 85 I CB -0.738 37.181 38.000 -0.136 0.000 1.062 85 I HN 0.644 nan 8.210 nan 0.000 0.471 86 T N 0.808 115.345 114.554 -0.027 0.000 3.023 86 T HA 0.054 4.409 4.350 0.009 0.000 0.266 86 T C 1.883 176.591 174.700 0.014 0.000 1.093 86 T CA 0.984 63.074 62.100 -0.018 0.000 1.129 86 T CB -0.073 68.769 68.868 -0.043 0.000 0.899 86 T HN 0.465 nan 8.240 nan 0.000 0.491 87 A N 0.152 122.988 122.820 0.026 0.000 2.252 87 A HA 0.316 4.642 4.320 0.009 0.000 0.207 87 A C 1.459 179.085 177.584 0.070 0.000 1.194 87 A CA -0.048 52.007 52.037 0.029 0.000 0.809 87 A CB -1.042 17.965 19.000 0.012 0.000 0.814 87 A HN 0.485 nan 8.150 nan 0.000 0.482 88 F N -0.551 119.373 119.950 -0.043 0.000 2.710 88 F HA -0.005 4.528 4.527 0.010 0.000 0.298 88 F C 1.761 177.599 175.800 0.064 0.000 1.137 88 F CA 0.950 58.940 58.000 -0.016 0.000 1.444 88 F CB 0.444 39.403 39.000 -0.068 0.000 1.111 88 F HN 0.095 nan 8.300 nan 0.000 0.580 89 V N -0.296 119.731 119.914 0.188 0.000 3.041 89 V HA -0.183 3.943 4.120 0.009 0.000 0.260 89 V C 2.147 178.364 176.094 0.204 0.000 1.105 89 V CA 1.482 63.926 62.300 0.240 0.000 1.125 89 V CB -0.533 31.384 31.823 0.157 0.000 0.730 89 V HN 0.285 nan 8.190 nan 0.000 0.479 90 E N 2.260 122.515 120.200 0.091 0.000 2.031 90 E HA -0.159 4.197 4.350 0.009 0.000 0.193 90 E C -0.162 176.483 176.600 0.076 0.000 0.994 90 E CA 2.084 58.520 56.400 0.060 0.000 0.800 90 E CB -1.199 28.515 29.700 0.024 0.000 0.752 90 E HN 0.482 nan 8.360 nan 0.000 0.447 91 P HA 0.010 nan 4.420 nan 0.000 0.249 91 P C 0.839 178.247 177.300 0.179 0.000 1.229 91 P CA 0.474 63.643 63.100 0.116 0.000 0.788 91 P CB -0.079 31.713 31.700 0.154 0.000 1.072 92 F N 0.401 120.382 119.950 0.053 0.000 2.387 92 F HA 0.027 4.560 4.527 0.009 0.000 0.294 92 F C 1.861 177.700 175.800 0.065 0.000 1.093 92 F CA 0.682 58.730 58.000 0.081 0.000 1.420 92 F CB -0.518 38.560 39.000 0.129 0.000 1.086 92 F HN -0.345 nan 8.300 nan 0.000 0.531 93 V N 0.790 120.666 119.914 -0.064 0.000 2.379 93 V HA -0.249 3.877 4.120 0.009 0.000 0.245 93 V C 2.395 178.419 176.094 -0.116 0.000 1.044 93 V CA 1.969 64.183 62.300 -0.143 0.000 1.036 93 V CB -0.450 31.387 31.823 0.024 0.000 0.664 93 V HN 0.325 nan 8.190 nan 0.000 0.453 94 I N -0.315 120.229 120.570 -0.043 0.000 2.163 94 I HA -0.311 3.865 4.170 0.009 0.000 0.243 94 I C 2.426 178.510 176.117 -0.054 0.000 1.085 94 I CA 1.817 63.101 61.300 -0.026 0.000 1.347 94 I CB -0.354 37.648 38.000 0.002 0.000 1.044 94 I HN 0.288 nan 8.210 nan 0.000 0.408 95 L N 0.414 121.589 121.223 -0.081 0.000 2.081 95 L HA -0.256 4.090 4.340 0.009 0.000 0.212 95 L C 2.447 179.243 176.870 -0.122 0.000 1.080 95 L CA 1.524 56.308 54.840 -0.092 0.000 0.754 95 L CB -0.167 41.840 42.059 -0.087 0.000 0.893 95 L HN 0.241 nan 8.230 nan 0.000 0.433 96 L N -0.947 120.131 121.223 -0.242 0.000 2.093 96 L HA -0.194 4.151 4.340 0.009 0.000 0.208 96 L C 2.254 179.060 176.870 -0.106 0.000 1.085 96 L CA 0.890 55.591 54.840 -0.232 0.000 0.755 96 L CB -0.127 41.698 42.059 -0.389 0.000 0.904 96 L HN 0.241 nan 8.230 nan 0.000 0.435 97 I N -0.333 120.191 120.570 -0.076 0.000 2.439 97 I HA -0.215 3.961 4.170 0.009 0.000 0.251 97 I C 2.332 178.451 176.117 0.003 0.000 1.139 97 I CA 1.261 62.543 61.300 -0.030 0.000 1.438 97 I CB -1.013 36.979 38.000 -0.014 0.000 1.085 97 I HN 0.292 nan 8.210 nan 0.000 0.427 98 L N -0.206 121.037 121.223 0.032 0.000 2.201 98 L HA -0.143 4.203 4.340 0.009 0.000 0.212 98 L C 2.390 179.364 176.870 0.173 0.000 1.105 98 L CA 0.691 55.610 54.840 0.132 0.000 0.775 98 L CB -0.209 41.946 42.059 0.161 0.000 0.913 98 L HN 0.136 nan 8.230 nan 0.000 0.440 99 I N -0.084 120.540 120.570 0.090 0.000 2.339 99 I HA -0.115 4.060 4.170 0.009 0.000 0.245 99 I C 2.798 178.906 176.117 -0.015 0.000 1.096 99 I CA 1.302 62.643 61.300 0.069 0.000 1.408 99 I CB -1.294 36.729 38.000 0.038 0.000 1.092 99 I HN 0.120 nan 8.210 nan 0.000 0.423 100 A N 0.899 123.698 122.820 -0.036 0.000 1.933 100 A HA -0.212 4.114 4.320 0.009 0.000 0.218 100 A C 2.046 179.579 177.584 -0.084 0.000 1.175 100 A CA 1.918 53.915 52.037 -0.066 0.000 0.628 100 A CB -1.054 17.910 19.000 -0.060 0.000 0.814 100 A HN 0.532 nan 8.150 nan 0.000 0.444 101 N N -0.717 117.946 118.700 -0.061 0.000 2.494 101 N HA 0.123 4.868 4.740 0.009 0.000 0.182 101 N C 1.712 177.158 175.510 -0.107 0.000 1.076 101 N CA 0.474 53.483 53.050 -0.067 0.000 0.908 101 N CB -0.040 38.429 38.487 -0.031 0.000 0.967 101 N HN 0.529 nan 8.380 nan 0.000 0.449 102 A N 1.464 124.197 122.820 -0.144 0.000 1.844 102 A HA -0.002 4.324 4.320 0.009 0.000 0.212 102 A C 1.937 179.411 177.584 -0.183 0.000 1.221 102 A CA 0.469 52.355 52.037 -0.251 0.000 0.607 102 A CB -0.373 18.368 19.000 -0.432 0.000 0.878 102 A HN 0.028 nan 8.150 nan 0.000 0.451 103 I N 0.538 121.019 120.570 -0.149 0.000 2.113 103 I HA -0.246 3.930 4.170 0.009 0.000 0.242 103 I C 2.464 178.449 176.117 -0.221 0.000 1.057 103 I CA 1.653 62.864 61.300 -0.148 0.000 1.314 103 I CB -1.404 36.517 38.000 -0.133 0.000 1.022 103 I HN 0.136 nan 8.210 nan 0.000 0.408 104 V N 0.859 120.617 119.914 -0.260 0.000 2.667 104 V HA -0.087 4.038 4.120 0.009 0.000 0.252 104 V C 2.574 178.567 176.094 -0.168 0.000 1.065 104 V CA 1.598 63.677 62.300 -0.368 0.000 1.083 104 V CB -1.107 30.521 31.823 -0.325 0.000 0.692 104 V HN 0.529 nan 8.190 nan 0.000 0.468 105 G N -0.711 108.030 108.800 -0.099 0.000 2.394 105 G HA2 -0.151 3.814 3.960 0.009 0.000 0.215 105 G HA3 -0.151 3.814 3.960 0.009 0.000 0.215 105 G C 1.178 176.090 174.900 0.021 0.000 1.165 105 G CA 0.767 45.851 45.100 -0.028 0.000 0.784 105 G HN 0.380 nan 8.290 nan 0.000 0.535 106 V N 1.262 121.167 119.914 -0.016 0.000 2.248 106 V HA 0.258 4.383 4.120 0.009 0.000 0.309 106 V C -0.498 175.686 176.094 0.149 0.000 1.722 106 V CA -0.684 61.635 62.300 0.031 0.000 1.693 106 V CB -0.621 31.187 31.823 -0.025 0.000 1.470 106 V HN 0.407 nan 8.190 nan 0.000 0.518 107 W N 2.797 124.079 121.300 -0.030 0.000 1.789 107 W HA 0.473 5.139 4.660 0.009 0.000 0.333 107 W C 0.645 177.153 176.519 -0.019 0.000 0.724 107 W CA -1.023 56.309 57.345 -0.021 0.000 2.024 107 W CB 0.313 29.762 29.460 -0.018 0.000 2.064 107 W HN 0.449 nan 8.180 nan 0.000 0.390 108 Q N 0.366 120.258 119.800 0.155 0.000 2.579 108 Q HA 0.049 4.394 4.340 0.009 0.000 0.344 108 Q C 1.474 177.482 176.000 0.012 0.000 0.997 108 Q CA 0.252 56.081 55.803 0.043 0.000 0.991 108 Q CB 0.196 28.954 28.738 0.033 0.000 1.279 108 Q HN 0.445 nan 8.270 nan 0.000 0.420 109 E N -0.548 119.636 120.200 -0.027 0.000 2.364 109 E HA -0.023 4.333 4.350 0.009 0.000 0.196 109 E C 1.110 177.627 176.600 -0.137 0.000 0.990 109 E CA 0.162 56.523 56.400 -0.065 0.000 0.886 109 E CB 0.471 30.143 29.700 -0.047 0.000 0.866 109 E HN 0.202 nan 8.360 nan 0.000 0.493 110 R N 0.524 120.898 120.500 -0.211 0.000 2.115 110 R HA -0.024 4.321 4.340 0.009 0.000 0.230 110 R C 0.904 177.136 176.300 -0.114 0.000 1.111 110 R CA 0.896 56.877 56.100 -0.200 0.000 0.976 110 R CB -0.449 29.699 30.300 -0.253 0.000 0.870 110 R HN 0.108 nan 8.270 nan 0.000 0.445 111 N N 0.258 118.909 118.700 -0.082 0.000 2.230 111 N HA 0.134 4.880 4.740 0.009 0.000 0.202 111 N C 1.004 176.489 175.510 -0.042 0.000 1.119 111 N CA 0.415 53.434 53.050 -0.052 0.000 0.851 111 N CB 0.583 39.049 38.487 -0.036 0.000 0.990 111 N HN 0.145 nan 8.380 nan 0.000 0.497 112 A N 0.295 123.088 122.820 -0.045 0.000 1.930 112 A HA -0.083 4.243 4.320 0.009 0.000 0.217 112 A C 1.108 178.671 177.584 -0.036 0.000 1.175 112 A CA 0.957 52.974 52.037 -0.033 0.000 0.627 112 A CB -0.233 18.750 19.000 -0.029 0.000 0.815 112 A HN 0.226 nan 8.150 nan 0.000 0.443 113 E N 1.157 121.330 120.200 -0.044 0.000 1.941 113 E HA 0.235 4.591 4.350 0.009 0.000 0.275 113 E C -0.518 176.058 176.600 -0.040 0.000 1.113 113 E CA -0.107 56.267 56.400 -0.043 0.000 0.878 113 E CB -0.504 29.168 29.700 -0.047 0.000 1.070 113 E HN 0.506 nan 8.360 nan 0.000 0.399 114 N N 2.464 121.143 118.700 -0.036 0.000 2.443 114 N HA 0.339 5.085 4.740 0.009 0.000 0.295 114 N C 0.607 176.100 175.510 -0.030 0.000 1.076 114 N CA -0.058 52.973 53.050 -0.031 0.000 0.919 114 N CB 1.103 39.573 38.487 -0.028 0.000 1.176 114 N HN 0.484 nan 8.380 nan 0.000 0.487 115 A N 3.367 126.173 122.820 -0.024 0.000 2.019 115 A HA -0.086 4.240 4.320 0.009 0.000 0.219 115 A C 1.739 179.313 177.584 -0.016 0.000 1.164 115 A CA 1.093 53.118 52.037 -0.019 0.000 0.644 115 A CB -0.514 18.479 19.000 -0.011 0.000 0.805 115 A HN 0.773 nan 8.150 nan 0.000 0.449 116 I N -0.925 119.635 120.570 -0.017 0.000 2.546 116 I HA -0.142 4.033 4.170 0.009 0.000 0.255 116 I C 2.505 178.609 176.117 -0.022 0.000 1.163 116 I CA 0.955 62.247 61.300 -0.013 0.000 1.457 116 I CB -0.177 37.816 38.000 -0.011 0.000 1.092 116 I HN 0.323 nan 8.210 nan 0.000 0.434 117 E N 1.766 121.948 120.200 -0.031 0.000 2.031 117 E HA -0.223 4.133 4.350 0.009 0.000 0.193 117 E C 2.289 178.850 176.600 -0.065 0.000 0.994 117 E CA 1.604 57.979 56.400 -0.042 0.000 0.800 117 E CB -0.067 29.609 29.700 -0.041 0.000 0.752 117 E HN 0.425 nan 8.360 nan 0.000 0.447 118 A N 1.003 123.780 122.820 -0.072 0.000 2.139 118 A HA -0.144 4.181 4.320 0.009 0.000 0.221 118 A C 2.305 179.780 177.584 -0.182 0.000 1.159 118 A CA 0.882 52.848 52.037 -0.118 0.000 0.662 118 A CB -0.607 18.342 19.000 -0.084 0.000 0.796 118 A HN 0.310 nan 8.150 nan 0.000 0.463 119 L N -1.038 120.127 121.223 -0.097 0.000 2.478 119 L HA -0.075 4.270 4.340 0.009 0.000 0.223 119 L C 2.003 178.828 176.870 -0.074 0.000 1.140 119 L CA 0.573 55.381 54.840 -0.052 0.000 0.842 119 L CB -0.120 41.953 42.059 0.023 0.000 0.953 119 L HN 0.269 nan 8.230 nan 0.000 0.452 120 K N -0.052 120.287 120.400 -0.100 0.000 2.217 120 K HA -0.181 4.145 4.320 0.009 0.000 0.202 120 K C 1.677 178.202 176.600 -0.125 0.000 1.051 120 K CA 0.645 56.886 56.287 -0.077 0.000 0.952 120 K CB -0.061 32.402 32.500 -0.061 0.000 0.736 120 K HN 0.369 nan 8.250 nan 0.000 0.453 121 E N 0.414 120.455 120.200 -0.266 0.000 2.171 121 E HA -0.200 4.156 4.350 0.009 0.000 0.197 121 E C 0.826 177.266 176.600 -0.268 0.000 0.997 121 E CA 1.300 57.486 56.400 -0.356 0.000 0.810 121 E CB -0.001 29.329 29.700 -0.616 0.000 0.738 121 E HN 0.492 nan 8.360 nan 0.000 0.467 122 Y N 0.424 120.727 120.300 0.006 0.000 2.457 122 Y HA 0.117 4.673 4.550 0.009 0.000 0.263 122 Y C 0.169 176.078 175.900 0.014 0.000 1.164 122 Y CA -0.493 57.614 58.100 0.011 0.000 1.274 122 Y CB 0.392 38.859 38.460 0.012 0.000 1.097 122 Y HN 0.023 nan 8.280 nan 0.000 0.523 123 E N 2.494 122.758 120.200 0.107 0.000 2.115 123 E HA 0.288 4.644 4.350 0.009 0.000 0.282 123 E C -2.786 173.842 176.600 0.048 0.000 0.987 123 E CA -2.371 54.074 56.400 0.074 0.000 0.797 123 E CB 0.916 30.648 29.700 0.053 0.000 1.086 123 E HN -0.010 nan 8.360 nan 0.000 0.397 124 P HA 0.094 nan 4.420 nan 0.000 0.276 124 P C 0.022 177.333 177.300 0.018 0.000 1.252 124 P CA -0.395 62.724 63.100 0.032 0.000 0.802 124 P CB 1.270 32.990 31.700 0.034 0.000 1.035 125 E N -0.609 119.596 120.200 0.008 0.000 2.285 125 E HA 0.026 4.382 4.350 0.009 0.000 0.194 125 E C 0.139 176.737 176.600 -0.002 0.000 0.997 125 E CA 0.932 57.331 56.400 -0.000 0.000 0.845 125 E CB 0.027 29.724 29.700 -0.005 0.000 0.782 125 E HN 0.228 nan 8.360 nan 0.000 0.491 126 M N -0.981 118.619 119.600 0.001 0.000 2.530 126 M HA 0.571 5.057 4.480 0.009 0.000 0.307 126 M C -0.582 175.716 176.300 -0.002 0.000 1.161 126 M CA -0.695 54.602 55.300 -0.005 0.000 0.903 126 M CB 2.498 35.094 32.600 -0.008 0.000 1.711 126 M HN -0.031 nan 8.290 nan 0.000 0.451 127 G N 2.420 111.214 108.800 -0.009 0.000 2.690 127 G HA2 0.727 4.692 3.960 0.009 0.000 0.293 127 G HA3 0.727 4.692 3.960 0.009 0.000 0.293 127 G C -1.934 172.950 174.900 -0.026 0.000 1.399 127 G CA -0.967 44.127 45.100 -0.010 0.000 0.890 127 G HN 0.673 nan 8.290 nan 0.000 0.485 128 K N 0.245 120.626 120.400 -0.032 0.000 2.221 128 K HA 0.816 5.142 4.320 0.009 0.000 0.258 128 K C -1.194 175.365 176.600 -0.068 0.000 0.944 128 K CA -0.828 55.418 56.287 -0.068 0.000 0.823 128 K CB 2.774 35.223 32.500 -0.086 0.000 1.113 128 K HN 0.253 nan 8.250 nan 0.000 0.431 129 V N 2.337 122.181 119.914 -0.115 0.000 3.102 129 V HA 0.298 4.424 4.120 0.009 0.000 0.312 129 V C -1.508 174.489 176.094 -0.162 0.000 1.135 129 V CA -0.875 61.386 62.300 -0.064 0.000 1.022 129 V CB 2.027 33.833 31.823 -0.027 0.000 1.056 129 V HN 0.743 nan 8.190 nan 0.000 0.436 130 Y N 2.687 122.976 120.300 -0.019 0.000 2.726 130 Y HA 0.439 4.995 4.550 0.009 0.000 0.367 130 Y C 0.902 176.790 175.900 -0.020 0.000 1.038 130 Y CA -0.622 57.468 58.100 -0.016 0.000 1.174 130 Y CB 0.369 38.821 38.460 -0.013 0.000 1.265 130 Y HN 0.396 nan 8.280 nan 0.000 0.622 131 R N 0.045 120.585 120.500 0.067 0.000 2.726 131 R HA 0.319 4.664 4.340 0.009 0.000 0.272 131 R C 1.143 177.470 176.300 0.045 0.000 1.097 131 R CA 0.457 56.579 56.100 0.036 0.000 1.198 131 R CB 0.597 30.896 30.300 -0.000 0.000 1.114 131 R HN 0.546 nan 8.270 nan 0.000 0.550 132 A N 1.153 123.987 122.820 0.024 0.000 2.119 132 A HA -0.129 4.197 4.320 0.009 0.000 0.217 132 A C 1.260 178.855 177.584 0.019 0.000 1.153 132 A CA 1.344 53.396 52.037 0.024 0.000 0.692 132 A CB -0.283 18.724 19.000 0.012 0.000 0.799 132 A HN 0.787 nan 8.150 nan 0.000 0.458 133 D N -0.555 119.851 120.400 0.011 0.000 2.349 133 D HA -0.010 4.636 4.640 0.009 0.000 0.215 133 D C 0.476 176.779 176.300 0.006 0.000 1.016 133 D CA 0.239 54.242 54.000 0.006 0.000 0.870 133 D CB 0.026 40.826 40.800 -0.001 0.000 0.917 133 D HN 0.439 nan 8.370 nan 0.000 0.524 134 R N -0.073 120.433 120.500 0.011 0.000 2.604 134 R HA 0.295 4.640 4.340 0.009 0.000 0.281 134 R C 0.345 176.666 176.300 0.034 0.000 1.020 134 R CA -0.712 55.394 56.100 0.010 0.000 0.899 134 R CB 1.903 32.195 30.300 -0.013 0.000 1.205 134 R HN -0.198 nan 8.270 nan 0.000 0.450 135 K N 0.722 121.147 120.400 0.042 0.000 2.366 135 K HA 0.035 4.360 4.320 0.009 0.000 0.198 135 K C 0.812 177.470 176.600 0.097 0.000 1.044 135 K CA 0.558 56.892 56.287 0.079 0.000 0.973 135 K CB 0.342 32.878 32.500 0.060 0.000 0.767 135 K HN 0.432 nan 8.250 nan 0.000 0.475 136 S N -0.129 115.586 115.700 0.025 0.000 2.661 136 S HA 0.104 4.580 4.470 0.009 0.000 0.265 136 S C 0.256 174.745 174.600 -0.184 0.000 1.225 136 S CA -0.563 57.618 58.200 -0.032 0.000 0.986 136 S CB 1.189 64.367 63.200 -0.037 0.000 1.008 136 S HN 0.101 nan 8.310 nan 0.000 0.565 137 V N 2.112 121.859 119.914 -0.278 0.000 2.224 137 V HA 0.368 4.494 4.120 0.009 0.000 0.289 137 V C 0.106 176.017 176.094 -0.305 0.000 1.518 137 V CA -0.763 61.227 62.300 -0.516 0.000 1.533 137 V CB -1.001 30.534 31.823 -0.481 0.000 1.460 137 V HN 0.796 nan 8.190 nan 0.000 0.515 138 Q N 1.766 121.430 119.800 -0.227 0.000 2.618 138 Q HA -0.068 4.278 4.340 0.009 0.000 0.344 138 Q C 0.176 176.101 176.000 -0.125 0.000 1.073 138 Q CA 0.533 56.255 55.803 -0.135 0.000 1.105 138 Q CB 0.305 28.987 28.738 -0.093 0.000 1.028 138 Q HN 0.788 nan 8.270 nan 0.000 0.397 139 R N 4.131 124.577 120.500 -0.089 0.000 2.369 139 R HA 0.318 4.663 4.340 0.009 0.000 0.310 139 R C -0.304 175.969 176.300 -0.046 0.000 1.141 139 R CA -0.295 55.764 56.100 -0.068 0.000 1.116 139 R CB 0.042 30.307 30.300 -0.057 0.000 1.135 139 R HN 0.754 nan 8.270 nan 0.000 0.529 140 I N -0.831 119.714 120.570 -0.040 0.000 2.924 140 I HA 0.431 4.607 4.170 0.009 0.000 0.316 140 I C -0.345 175.760 176.117 -0.019 0.000 1.014 140 I CA -1.119 60.164 61.300 -0.027 0.000 1.106 140 I CB 1.246 39.233 38.000 -0.022 0.000 1.311 140 I HN 0.215 nan 8.210 nan 0.000 0.502 141 K N 2.857 123.246 120.400 -0.017 0.000 2.437 141 K HA 0.047 4.373 4.320 0.009 0.000 0.277 141 K C 1.168 177.765 176.600 -0.005 0.000 1.073 141 K CA 0.554 56.832 56.287 -0.015 0.000 1.105 141 K CB 0.885 33.370 32.500 -0.025 0.000 0.881 141 K HN 0.815 nan 8.250 nan 0.000 0.475 142 A N 4.530 127.350 122.820 0.000 0.000 1.971 142 A HA -0.279 4.047 4.320 0.009 0.000 0.222 142 A C 2.145 179.744 177.584 0.024 0.000 1.182 142 A CA 1.839 53.883 52.037 0.012 0.000 0.649 142 A CB -0.400 18.609 19.000 0.016 0.000 0.818 142 A HN 0.895 nan 8.150 nan 0.000 0.458 143 R N -0.451 120.059 120.500 0.016 0.000 2.140 143 R HA -0.192 4.154 4.340 0.009 0.000 0.250 143 R C 0.221 176.564 176.300 0.071 0.000 1.150 143 R CA 1.864 57.979 56.100 0.025 0.000 0.966 143 R CB -0.262 30.016 30.300 -0.037 0.000 0.869 143 R HN 0.488 nan 8.270 nan 0.000 0.445 144 D N -0.113 120.318 120.400 0.050 0.000 2.395 144 D HA 0.123 4.769 4.640 0.009 0.000 0.226 144 D C -0.127 176.220 176.300 0.078 0.000 1.146 144 D CA 0.207 54.264 54.000 0.094 0.000 0.830 144 D CB 0.124 40.953 40.800 0.050 0.000 0.958 144 D HN 0.257 nan 8.370 nan 0.000 0.501 145 I N 1.331 121.938 120.570 0.063 0.000 2.396 145 I HA 0.121 4.297 4.170 0.009 0.000 0.292 145 I C 0.393 176.537 176.117 0.044 0.000 0.999 145 I CA -0.809 60.512 61.300 0.036 0.000 1.310 145 I CB 1.551 39.560 38.000 0.016 0.000 1.404 145 I HN -0.215 nan 8.210 nan 0.000 0.496 146 V N 4.248 124.178 119.914 0.027 0.000 2.815 146 V HA 0.640 4.766 4.120 0.009 0.000 0.314 146 V C -2.749 173.307 176.094 -0.064 0.000 1.064 146 V CA -2.824 59.501 62.300 0.040 0.000 0.952 146 V CB 1.422 33.334 31.823 0.148 0.000 1.020 146 V HN 0.451 nan 8.190 nan 0.000 0.439 147 P HA 0.390 nan 4.420 nan 0.000 0.268 147 P C 0.967 177.912 177.300 -0.592 0.000 1.204 147 P CA 1.741 64.596 63.100 -0.409 0.000 0.768 147 P CB 0.945 32.290 31.700 -0.592 0.000 0.842 148 G N 2.303 110.472 108.800 -1.051 0.000 2.279 148 G HA2 -0.186 3.780 3.960 0.009 0.000 0.223 148 G HA3 -0.186 3.780 3.960 0.009 0.000 0.223 148 G C -0.251 174.451 174.900 -0.331 0.000 1.015 148 G CA 0.104 44.569 45.100 -1.058 0.000 0.621 148 G HN 0.696 nan 8.290 nan 0.000 0.506 149 D N 1.072 121.352 120.400 -0.199 0.000 2.304 149 D HA 0.499 5.144 4.640 0.009 0.000 0.250 149 D C 0.448 176.717 176.300 -0.052 0.000 1.107 149 D CA -0.811 53.135 54.000 -0.091 0.000 0.885 149 D CB 0.805 41.572 40.800 -0.055 0.000 1.192 149 D HN 0.331 nan 8.370 nan 0.000 0.436 150 I N 2.027 122.598 120.570 0.002 0.000 2.581 150 I HA 0.028 4.204 4.170 0.009 0.000 0.285 150 I C 0.129 176.305 176.117 0.099 0.000 1.129 150 I CA 0.039 61.367 61.300 0.046 0.000 1.397 150 I CB 0.263 38.296 38.000 0.055 0.000 1.399 150 I HN 0.278 nan 8.210 nan 0.000 0.537 151 V N 3.556 123.513 119.914 0.071 0.000 2.850 151 V HA 0.602 4.727 4.120 0.009 0.000 0.315 151 V C -0.240 175.918 176.094 0.106 0.000 1.064 151 V CA -0.874 61.468 62.300 0.070 0.000 0.979 151 V CB 1.780 33.616 31.823 0.021 0.000 1.039 151 V HN 0.655 nan 8.190 nan 0.000 0.452 152 E N 0.838 121.096 120.200 0.096 0.000 2.266 152 E HA 0.724 5.079 4.350 0.009 0.000 0.268 152 E C -1.686 174.941 176.600 0.045 0.000 0.879 152 E CA -0.682 55.781 56.400 0.104 0.000 0.762 152 E CB 2.477 32.282 29.700 0.175 0.000 1.199 152 E HN 0.888 nan 8.360 nan 0.000 0.422 153 V N -0.397 119.538 119.914 0.036 0.000 2.841 153 V HA 0.996 5.122 4.120 0.009 0.000 0.310 153 V C -0.879 175.225 176.094 0.016 0.000 1.090 153 V CA -0.678 61.633 62.300 0.017 0.000 0.930 153 V CB 1.272 33.098 31.823 0.004 0.000 1.014 153 V HN 0.752 nan 8.190 nan 0.000 0.425 154 A N 2.665 125.492 122.820 0.012 0.000 2.569 154 A HA 0.933 5.259 4.320 0.009 0.000 0.290 154 A C -0.065 177.523 177.584 0.007 0.000 1.136 154 A CA -0.358 51.685 52.037 0.010 0.000 0.710 154 A CB 1.679 20.687 19.000 0.013 0.000 1.303 154 A HN 2.416 nan 8.150 nan 0.000 0.413 155 V N -0.551 119.367 119.914 0.006 0.000 2.839 155 V HA 0.301 4.427 4.120 0.009 0.000 0.296 155 V C 1.405 177.503 176.094 0.007 0.000 1.239 155 V CA 1.012 63.315 62.300 0.006 0.000 1.349 155 V CB -0.797 31.030 31.823 0.006 0.000 0.852 155 V HN 2.816 nan 8.190 nan 0.000 0.504 156 G N 2.711 111.516 108.800 0.008 0.000 2.299 156 G HA2 -0.226 3.739 3.960 0.009 0.000 0.237 156 G HA3 -0.226 3.739 3.960 0.009 0.000 0.237 156 G C -0.101 174.807 174.900 0.013 0.000 1.027 156 G CA 0.204 45.310 45.100 0.011 0.000 0.619 156 G HN 0.936 nan 8.290 nan 0.000 0.513 157 D N 1.441 121.848 120.400 0.011 0.000 2.425 157 D HA 0.377 5.023 4.640 0.009 0.000 0.247 157 D C 0.665 176.976 176.300 0.019 0.000 1.147 157 D CA 0.254 54.262 54.000 0.014 0.000 0.879 157 D CB 1.085 41.891 40.800 0.010 0.000 1.179 157 D HN 0.522 nan 8.370 nan 0.000 0.456 158 K N 1.778 122.194 120.400 0.027 0.000 2.379 158 K HA 0.151 4.477 4.320 0.009 0.000 0.284 158 K C -0.637 175.982 176.600 0.032 0.000 1.044 158 K CA -0.598 55.712 56.287 0.038 0.000 0.974 158 K CB 0.526 33.061 32.500 0.058 0.000 0.962 158 K HN 0.129 nan 8.250 nan 0.000 0.474 159 V N 8.404 128.335 119.914 0.029 0.000 2.493 159 V HA -0.002 4.124 4.120 0.009 0.000 0.292 159 V C -1.203 174.911 176.094 0.034 0.000 1.016 159 V CA -0.924 61.390 62.300 0.023 0.000 1.097 159 V CB 0.811 32.643 31.823 0.015 0.000 0.947 159 V HN 0.905 nan 8.190 nan 0.000 0.479 160 P HA 0.117 nan 4.420 nan 0.000 0.225 160 P C 0.234 177.552 177.300 0.031 0.000 1.156 160 P CA 1.094 64.211 63.100 0.027 0.000 0.787 160 P CB 0.633 32.342 31.700 0.016 0.000 0.802 161 A N -0.824 122.011 122.820 0.025 0.000 2.586 161 A HA 0.440 4.766 4.320 0.009 0.000 0.290 161 A C -1.663 175.936 177.584 0.025 0.000 1.086 161 A CA -0.639 51.414 52.037 0.026 0.000 0.665 161 A CB 0.093 19.096 19.000 0.005 0.000 1.279 161 A HN -0.230 nan 8.150 nan 0.000 0.423 162 D N 0.996 121.420 120.400 0.040 0.000 2.358 162 D HA 0.492 5.137 4.640 0.009 0.000 0.258 162 D C -0.520 175.768 176.300 -0.020 0.000 1.223 162 D CA 1.058 55.082 54.000 0.039 0.000 0.886 162 D CB 0.196 41.062 40.800 0.110 0.000 1.120 162 D HN 0.395 nan 8.370 nan 0.000 0.482 163 I N 1.999 122.525 120.570 -0.072 0.000 2.465 163 I HA 0.268 4.444 4.170 0.009 0.000 0.291 163 I C 0.126 176.190 176.117 -0.088 0.000 1.014 163 I CA -1.215 60.044 61.300 -0.067 0.000 1.093 163 I CB 1.904 39.869 38.000 -0.059 0.000 1.267 163 I HN -0.002 nan 8.210 nan 0.000 0.431 164 R N 7.028 127.502 120.500 -0.044 0.000 2.216 164 R HA 0.437 4.783 4.340 0.009 0.000 0.332 164 R C -0.880 175.402 176.300 -0.030 0.000 1.056 164 R CA -0.094 55.987 56.100 -0.033 0.000 0.901 164 R CB 0.028 30.331 30.300 0.005 0.000 1.039 164 R HN 0.517 nan 8.270 nan 0.000 0.456 165 I N 5.972 126.516 120.570 -0.044 0.000 2.692 165 I HA -0.069 4.107 4.170 0.009 0.000 0.284 165 I C 0.857 176.965 176.117 -0.016 0.000 1.159 165 I CA 0.277 61.556 61.300 -0.035 0.000 1.423 165 I CB 0.628 38.602 38.000 -0.043 0.000 1.380 165 I HN 0.687 nan 8.210 nan 0.000 0.580 166 L N 3.203 124.418 121.223 -0.013 0.000 2.663 166 L HA 0.234 4.579 4.340 0.009 0.000 0.218 166 L C 0.520 177.382 176.870 -0.013 0.000 1.043 166 L CA 0.431 55.265 54.840 -0.009 0.000 0.876 166 L CB 0.484 42.537 42.059 -0.009 0.000 1.263 166 L HN 0.565 nan 8.230 nan 0.000 0.486 167 S N -0.101 115.589 115.700 -0.018 0.000 2.603 167 S HA 0.542 5.018 4.470 0.009 0.000 0.274 167 S C -1.038 173.552 174.600 -0.017 0.000 1.168 167 S CA -0.488 57.701 58.200 -0.019 0.000 0.963 167 S CB 1.126 64.308 63.200 -0.031 0.000 1.078 167 S HN 0.075 nan 8.310 nan 0.000 0.477 168 I N 5.663 126.226 120.570 -0.012 0.000 2.297 168 I HA 0.342 4.517 4.170 0.009 0.000 0.291 168 I C 0.968 177.080 176.117 -0.009 0.000 1.033 168 I CA -0.622 60.670 61.300 -0.012 0.000 1.253 168 I CB 1.226 39.217 38.000 -0.015 0.000 1.396 168 I HN 0.527 nan 8.210 nan 0.000 0.476 169 K N 3.295 123.691 120.400 -0.008 0.000 2.243 169 K HA 0.055 4.380 4.320 0.009 0.000 0.201 169 K C 0.936 177.535 176.600 -0.002 0.000 1.051 169 K CA 0.429 56.714 56.287 -0.005 0.000 0.970 169 K CB -0.093 32.407 32.500 -0.001 0.000 0.755 169 K HN 0.676 nan 8.250 nan 0.000 0.465 170 S N 0.349 116.048 115.700 -0.001 0.000 2.693 170 S HA 0.127 4.603 4.470 0.009 0.000 0.276 170 S C 1.390 175.990 174.600 -0.001 0.000 1.192 170 S CA -0.177 58.023 58.200 -0.000 0.000 0.994 170 S CB 1.210 64.410 63.200 0.000 0.000 1.012 170 S HN 0.271 nan 8.310 nan 0.000 0.550 171 T N -2.376 112.179 114.554 0.002 0.000 2.962 171 T HA 0.101 4.457 4.350 0.009 0.000 0.270 171 T C 0.769 175.473 174.700 0.006 0.000 1.088 171 T CA 1.252 63.355 62.100 0.005 0.000 1.127 171 T CB -0.596 68.277 68.868 0.008 0.000 0.883 171 T HN 0.958 nan 8.240 nan 0.000 0.493 172 T N -0.307 114.247 114.554 -0.001 0.000 2.942 172 T HA 0.532 4.888 4.350 0.009 0.000 0.327 172 T C -2.293 172.390 174.700 -0.027 0.000 1.360 172 T CA -0.964 61.128 62.100 -0.013 0.000 1.055 172 T CB 1.640 70.510 68.868 0.003 0.000 1.261 172 T HN 0.213 nan 8.240 nan 0.000 0.485 173 L N 4.085 125.273 121.223 -0.058 0.000 2.325 173 L HA 0.739 5.084 4.340 0.009 0.000 0.281 173 L C -0.394 176.442 176.870 -0.056 0.000 1.004 173 L CA -0.287 54.520 54.840 -0.055 0.000 0.823 173 L CB 1.094 43.113 42.059 -0.066 0.000 1.236 173 L HN 0.664 nan 8.230 nan 0.000 0.415 174 R N 4.096 124.578 120.500 -0.029 0.000 2.494 174 R HA 0.741 5.086 4.340 0.009 0.000 0.305 174 R C -1.293 175.001 176.300 -0.011 0.000 0.959 174 R CA -0.796 55.295 56.100 -0.016 0.000 0.864 174 R CB 2.284 32.584 30.300 -0.000 0.000 1.159 174 R HN 0.526 nan 8.270 nan 0.000 0.446 175 V N -0.091 119.820 119.914 -0.006 0.000 2.680 175 V HA 0.430 4.556 4.120 0.009 0.000 0.309 175 V C -0.892 175.210 176.094 0.013 0.000 1.052 175 V CA -0.862 61.438 62.300 0.000 0.000 0.908 175 V CB 2.054 33.873 31.823 -0.007 0.000 1.001 175 V HN 0.698 nan 8.190 nan 0.000 0.431 176 D N 3.469 123.874 120.400 0.010 0.000 2.347 176 D HA 0.324 4.970 4.640 0.009 0.000 0.235 176 D C 0.208 176.510 176.300 0.004 0.000 1.149 176 D CA 0.216 54.220 54.000 0.007 0.000 0.850 176 D CB 1.529 42.329 40.800 -0.000 0.000 1.061 176 D HN 0.725 nan 8.370 nan 0.000 0.487 177 Q N 2.049 121.857 119.800 0.013 0.000 2.201 177 Q HA 0.151 4.497 4.340 0.009 0.000 0.236 177 Q C 1.223 177.202 176.000 -0.035 0.000 0.857 177 Q CA -0.240 55.571 55.803 0.012 0.000 1.025 177 Q CB 0.579 29.361 28.738 0.073 0.000 1.124 177 Q HN 0.416 nan 8.270 nan 0.000 0.473 178 S N 0.965 116.635 115.700 -0.049 0.000 2.374 178 S HA -0.227 4.249 4.470 0.009 0.000 0.227 178 S C 1.934 176.465 174.600 -0.114 0.000 1.037 178 S CA 1.629 59.791 58.200 -0.063 0.000 1.024 178 S CB -0.395 62.776 63.200 -0.049 0.000 0.861 178 S HN 0.645 nan 8.310 nan 0.000 0.456 179 I N 0.015 120.458 120.570 -0.211 0.000 2.315 179 I HA -0.200 3.975 4.170 0.009 0.000 0.251 179 I C 1.940 177.927 176.117 -0.218 0.000 1.125 179 I CA 1.448 62.533 61.300 -0.358 0.000 1.392 179 I CB -0.614 36.932 38.000 -0.757 0.000 1.065 179 I HN 0.178 nan 8.210 nan 0.000 0.424 180 L N 0.725 121.853 121.223 -0.158 0.000 2.022 180 L HA -0.065 4.281 4.340 0.009 0.000 0.204 180 L C 2.918 179.734 176.870 -0.090 0.000 1.076 180 L CA 2.002 56.764 54.840 -0.130 0.000 0.749 180 L CB -1.002 40.969 42.059 -0.146 0.000 0.903 180 L HN 0.482 nan 8.230 nan 0.000 0.439 181 T N -3.907 110.607 114.554 -0.067 0.000 2.904 181 T HA 0.258 4.614 4.350 0.009 0.000 0.243 181 T C 1.474 176.156 174.700 -0.030 0.000 1.024 181 T CA 0.796 62.871 62.100 -0.040 0.000 1.158 181 T CB 0.377 69.232 68.868 -0.022 0.000 0.867 181 T HN 0.446 nan 8.240 nan 0.000 0.429 182 G N 0.572 109.355 108.800 -0.029 0.000 2.255 182 G HA2 -0.153 3.813 3.960 0.009 0.000 0.196 182 G HA3 -0.153 3.813 3.960 0.009 0.000 0.196 182 G C 0.130 175.025 174.900 -0.008 0.000 0.998 182 G CA -0.046 45.044 45.100 -0.017 0.000 0.656 182 G HN 0.491 nan 8.290 nan 0.000 0.490 183 E N 2.420 122.616 120.200 -0.006 0.000 2.222 183 E HA 0.279 4.634 4.350 0.009 0.000 0.312 183 E C 2.015 178.617 176.600 0.003 0.000 1.263 183 E CA 0.555 56.956 56.400 0.002 0.000 1.356 183 E CB 0.067 29.771 29.700 0.008 0.000 1.180 183 E HN 0.638 nan 8.360 nan 0.000 0.494 184 S N 0.193 115.893 115.700 0.000 0.000 2.434 184 S HA -0.231 4.244 4.470 0.009 0.000 0.250 184 S C 1.238 175.841 174.600 0.005 0.000 1.102 184 S CA 1.026 59.226 58.200 0.000 0.000 1.104 184 S CB -0.660 62.540 63.200 -0.000 0.000 0.957 184 S HN 0.211 nan 8.310 nan 0.000 0.456 185 V N 4.047 123.966 119.914 0.008 0.000 2.475 185 V HA 0.183 4.309 4.120 0.009 0.000 0.292 185 V C 1.106 177.214 176.094 0.023 0.000 1.003 185 V CA 0.214 62.522 62.300 0.013 0.000 1.120 185 V CB -0.634 31.196 31.823 0.011 0.000 0.937 185 V HN 0.733 nan 8.190 nan 0.000 0.476 186 S N 5.706 121.420 115.700 0.023 0.000 2.584 186 S HA 0.506 4.982 4.470 0.009 0.000 0.270 186 S C -0.212 174.411 174.600 0.040 0.000 1.346 186 S CA -0.552 57.663 58.200 0.026 0.000 1.018 186 S CB 1.498 64.709 63.200 0.018 0.000 0.899 186 S HN 0.969 nan 8.310 nan 0.000 0.542 187 V N 0.357 120.296 119.914 0.042 0.000 2.769 187 V HA 0.617 4.742 4.120 0.009 0.000 0.312 187 V C 0.026 176.139 176.094 0.031 0.000 1.058 187 V CA -1.255 61.079 62.300 0.057 0.000 0.952 187 V CB 0.921 32.789 31.823 0.076 0.000 1.019 187 V HN 0.893 nan 8.190 nan 0.000 0.445 188 I N 2.549 123.142 120.570 0.039 0.000 2.440 188 I HA 0.488 4.663 4.170 0.009 0.000 0.294 188 I C 0.100 176.154 176.117 -0.104 0.000 0.995 188 I CA -0.556 60.724 61.300 -0.034 0.000 1.306 188 I CB 1.602 39.606 38.000 0.007 0.000 1.407 188 I HN 0.672 nan 8.210 nan 0.000 0.501 189 K N 4.996 125.266 120.400 -0.217 0.000 2.238 189 K HA 0.620 4.946 4.320 0.009 0.000 0.239 189 K C -0.525 175.784 176.600 -0.486 0.000 0.987 189 K CA -0.736 55.417 56.287 -0.224 0.000 0.857 189 K CB 2.056 34.479 32.500 -0.128 0.000 1.154 189 K HN 0.542 nan 8.250 nan 0.000 0.439 190 H N -1.099 117.964 119.070 -0.011 0.000 3.015 190 H HA 0.295 4.857 4.556 0.009 0.000 0.282 190 H C 0.020 175.329 175.328 -0.032 0.000 1.508 190 H CA -0.446 55.590 56.048 -0.021 0.000 1.209 190 H CB 1.926 31.663 29.762 -0.042 0.000 1.869 190 H HN 0.466 nan 8.280 nan 0.000 0.591 191 T N -0.478 114.150 114.554 0.124 0.000 3.019 191 T HA 0.069 4.425 4.350 0.009 0.000 0.247 191 T C 0.199 174.909 174.700 0.016 0.000 0.992 191 T CA -0.039 62.087 62.100 0.043 0.000 1.036 191 T CB 0.356 69.243 68.868 0.032 0.000 1.063 191 T HN 0.337 nan 8.240 nan 0.000 0.476 192 E N 2.855 123.055 120.200 -0.001 0.000 2.565 192 E HA -0.016 4.339 4.350 0.009 0.000 0.268 192 E C -2.429 174.159 176.600 -0.020 0.000 1.000 192 E CA -0.703 55.676 56.400 -0.034 0.000 0.964 192 E CB 0.395 30.043 29.700 -0.087 0.000 0.955 192 E HN 0.268 nan 8.360 nan 0.000 0.459 193 P HA 0.046 nan 4.420 nan 0.000 0.277 193 P C -0.799 176.501 177.300 0.000 0.000 1.240 193 P CA -0.173 62.918 63.100 -0.015 0.000 0.798 193 P CB 0.766 32.445 31.700 -0.034 0.000 0.979 194 V N 5.022 124.967 119.914 0.052 0.000 2.294 194 V HA 0.168 4.293 4.120 0.009 0.000 0.272 194 V C -1.125 175.033 176.094 0.108 0.000 1.027 194 V CA -1.291 61.066 62.300 0.095 0.000 0.823 194 V CB 1.112 33.037 31.823 0.170 0.000 1.030 194 V HN 0.565 nan 8.190 nan 0.000 0.457 195 P HA 0.015 nan 4.420 nan 0.000 0.241 195 P C 0.258 177.576 177.300 0.029 0.000 1.191 195 P CA 0.282 63.386 63.100 0.007 0.000 0.771 195 P CB 0.339 32.032 31.700 -0.012 0.000 0.929 196 D N 1.215 121.665 120.400 0.083 0.000 2.338 196 D HA 0.086 4.732 4.640 0.009 0.000 0.255 196 D C -1.474 174.943 176.300 0.195 0.000 1.237 196 D CA -2.347 51.710 54.000 0.096 0.000 0.883 196 D CB 0.797 41.641 40.800 0.074 0.000 1.087 196 D HN -0.090 nan 8.370 nan 0.000 0.485 197 P HA -0.164 nan 4.420 nan 0.000 0.217 197 P C 0.331 177.758 177.300 0.211 0.000 1.148 197 P CA 1.352 64.519 63.100 0.112 0.000 0.834 197 P CB 0.050 31.774 31.700 0.039 0.000 0.783 198 R N -1.491 119.089 120.500 0.134 0.000 2.586 198 R HA 0.566 4.911 4.340 0.009 0.000 0.306 198 R C 0.291 176.606 176.300 0.026 0.000 1.079 198 R CA -0.405 55.742 56.100 0.077 0.000 1.083 198 R CB -0.142 30.185 30.300 0.045 0.000 1.306 198 R HN -0.068 nan 8.270 nan 0.000 0.567 199 A N 1.781 124.607 122.820 0.010 0.000 2.567 199 A HA 0.213 4.538 4.320 0.009 0.000 0.240 199 A C 0.965 178.468 177.584 -0.136 0.000 1.053 199 A CA -0.312 51.670 52.037 -0.091 0.000 0.755 199 A CB 0.094 18.987 19.000 -0.179 0.000 0.978 199 A HN 0.364 nan 8.150 nan 0.000 0.507 200 V N 2.012 121.881 119.914 -0.076 0.000 2.963 200 V HA 0.089 4.215 4.120 0.009 0.000 0.306 200 V C 1.222 177.278 176.094 -0.064 0.000 1.077 200 V CA -0.213 62.042 62.300 -0.075 0.000 1.124 200 V CB 0.071 31.865 31.823 -0.049 0.000 0.987 200 V HN 0.868 nan 8.190 nan 0.000 0.487 201 N N 1.579 120.230 118.700 -0.082 0.000 2.069 201 N HA -0.263 4.483 4.740 0.009 0.000 0.196 201 N C 1.676 177.246 175.510 0.101 0.000 1.024 201 N CA 2.203 55.240 53.050 -0.021 0.000 0.869 201 N CB -0.593 37.639 38.487 -0.425 0.000 1.035 201 N HN 0.916 nan 8.380 nan 0.000 0.434 202 Q N 0.123 119.942 119.800 0.032 0.000 2.197 202 Q HA -0.188 4.158 4.340 0.009 0.000 0.211 202 Q C 0.135 176.189 176.000 0.089 0.000 0.993 202 Q CA 1.637 57.483 55.803 0.071 0.000 0.883 202 Q CB 0.009 28.778 28.738 0.050 0.000 0.916 202 Q HN 0.383 nan 8.270 nan 0.000 0.418 203 D N -0.657 119.777 120.400 0.057 0.000 2.369 203 D HA 0.060 4.705 4.640 0.009 0.000 0.211 203 D C -0.293 176.026 176.300 0.032 0.000 1.077 203 D CA 0.257 54.282 54.000 0.041 0.000 0.842 203 D CB 0.341 41.150 40.800 0.015 0.000 0.947 203 D HN 0.041 nan 8.370 nan 0.000 0.509 204 K N 1.032 121.463 120.400 0.052 0.000 2.307 204 K HA 0.135 4.461 4.320 0.009 0.000 0.240 204 K C 1.053 177.670 176.600 0.028 0.000 1.214 204 K CA -0.061 56.242 56.287 0.028 0.000 1.149 204 K CB 0.475 33.009 32.500 0.057 0.000 1.668 204 K HN -0.204 nan 8.250 nan 0.000 0.314 205 K N 0.976 121.401 120.400 0.042 0.000 2.519 205 K HA -0.123 4.203 4.320 0.009 0.000 0.196 205 K C 0.759 177.375 176.600 0.026 0.000 1.041 205 K CA 0.984 57.305 56.287 0.057 0.000 0.954 205 K CB 0.060 32.623 32.500 0.106 0.000 0.774 205 K HN 0.428 nan 8.250 nan 0.000 0.480 206 N N -1.018 117.680 118.700 -0.004 0.000 2.197 206 N HA 0.049 4.795 4.740 0.009 0.000 0.228 206 N C -0.349 175.111 175.510 -0.084 0.000 1.212 206 N CA -0.052 52.987 53.050 -0.019 0.000 0.883 206 N CB 0.491 38.987 38.487 0.016 0.000 1.107 206 N HN -0.112 nan 8.380 nan 0.000 0.519 207 M N 0.836 120.326 119.600 -0.184 0.000 2.598 207 M HA 0.478 4.964 4.480 0.009 0.000 0.317 207 M C -1.061 174.913 176.300 -0.543 0.000 1.179 207 M CA -0.526 54.566 55.300 -0.347 0.000 0.936 207 M CB 2.445 34.778 32.600 -0.446 0.000 1.713 207 M HN -0.063 nan 8.290 nan 0.000 0.460 208 L N 2.159 123.084 121.223 -0.497 0.000 2.333 208 L HA 0.542 4.888 4.340 0.009 0.000 0.280 208 L C -1.170 175.444 176.870 -0.427 0.000 1.004 208 L CA -0.426 54.157 54.840 -0.429 0.000 0.820 208 L CB 1.253 43.201 42.059 -0.185 0.000 1.247 208 L HN 0.500 nan 8.230 nan 0.000 0.416 209 F N 0.935 120.877 119.950 -0.013 0.000 2.411 209 F HA 0.235 4.767 4.527 0.010 0.000 0.350 209 F C 1.231 177.023 175.800 -0.013 0.000 1.114 209 F CA -0.417 57.573 58.000 -0.016 0.000 1.135 209 F CB 1.643 40.628 39.000 -0.026 0.000 1.120 209 F HN 0.456 nan 8.300 nan 0.000 0.495 210 S N 2.586 118.389 115.700 0.171 0.000 2.715 210 S HA 0.241 4.717 4.470 0.009 0.000 0.318 210 S C 1.150 175.814 174.600 0.108 0.000 1.242 210 S CA 1.093 59.359 58.200 0.110 0.000 1.044 210 S CB -0.193 63.066 63.200 0.098 0.000 0.760 210 S HN 1.209 nan 8.310 nan 0.000 0.501 211 G N 3.302 112.155 108.800 0.088 0.000 2.234 211 G HA2 -0.227 3.739 3.960 0.009 0.000 0.235 211 G HA3 -0.227 3.739 3.960 0.009 0.000 0.235 211 G C 0.392 175.296 174.900 0.007 0.000 0.997 211 G CA 0.275 45.430 45.100 0.093 0.000 0.623 211 G HN 0.925 nan 8.290 nan 0.000 0.514 212 T N 2.439 117.004 114.554 0.018 0.000 2.828 212 T HA 0.519 4.875 4.350 0.009 0.000 0.290 212 T C 0.300 175.008 174.700 0.012 0.000 1.019 212 T CA 0.356 62.458 62.100 0.002 0.000 1.031 212 T CB 0.659 69.572 68.868 0.075 0.000 1.001 212 T HN 0.696 nan 8.240 nan 0.000 0.531 213 N N 1.143 119.845 118.700 0.004 0.000 2.262 213 N HA 0.374 5.120 4.740 0.009 0.000 0.295 213 N C -1.198 174.315 175.510 0.006 0.000 1.161 213 N CA -0.787 52.269 53.050 0.011 0.000 0.767 213 N CB 1.679 40.176 38.487 0.016 0.000 1.499 213 N HN 0.416 nan 8.380 nan 0.000 0.476 214 I N 1.161 121.734 120.570 0.005 0.000 2.416 214 I HA 0.124 4.300 4.170 0.009 0.000 0.288 214 I C 1.398 177.517 176.117 0.003 0.000 1.051 214 I CA -0.286 61.014 61.300 0.000 0.000 1.375 214 I CB 1.253 39.251 38.000 -0.002 0.000 1.407 214 I HN 0.787 nan 8.210 nan 0.000 0.516 215 A N 5.588 128.409 122.820 0.002 0.000 1.911 215 A HA 0.550 4.876 4.320 0.009 0.000 0.212 215 A C 0.983 178.569 177.584 0.004 0.000 1.189 215 A CA 0.894 52.933 52.037 0.004 0.000 0.639 215 A CB 0.141 19.144 19.000 0.006 0.000 0.839 215 A HN 0.755 nan 8.150 nan 0.000 0.449 216 A N -1.873 120.948 122.820 0.001 0.000 2.459 216 A HA 0.647 4.972 4.320 0.009 0.000 0.296 216 A C 0.256 177.838 177.584 -0.003 0.000 1.039 216 A CA 0.167 52.205 52.037 0.001 0.000 0.698 216 A CB 0.360 19.363 19.000 0.004 0.000 1.261 216 A HN 2.162 nan 8.150 nan 0.000 0.405 217 G N 0.729 109.529 108.800 -0.001 0.000 2.466 217 G HA2 0.243 4.209 3.960 0.009 0.000 0.316 217 G HA3 0.243 4.209 3.960 0.009 0.000 0.316 217 G C -0.680 174.219 174.900 -0.000 0.000 1.270 217 G CA -0.169 44.930 45.100 -0.002 0.000 0.982 217 G HN 1.114 nan 8.290 nan 0.000 0.506 218 K N -0.421 119.979 120.400 -0.000 0.000 2.501 218 K HA 0.749 5.074 4.320 0.009 0.000 0.252 218 K C -0.577 176.023 176.600 0.001 0.000 0.934 218 K CA -0.128 56.163 56.287 0.006 0.000 0.797 218 K CB 1.766 34.275 32.500 0.014 0.000 1.270 218 K HN 1.877 nan 8.250 nan 0.000 0.431 219 A N 3.378 126.200 122.820 0.004 0.000 2.572 219 A HA 0.635 4.960 4.320 0.009 0.000 0.295 219 A C -2.093 175.497 177.584 0.009 0.000 1.072 219 A CA -0.739 51.296 52.037 -0.003 0.000 0.691 219 A CB 1.506 20.495 19.000 -0.018 0.000 1.291 219 A HN 0.611 nan 8.150 nan 0.000 0.404 220 L N 1.341 122.564 121.223 -0.000 0.000 2.322 220 L HA 0.842 5.188 4.340 0.009 0.000 0.281 220 L C 0.381 177.246 176.870 -0.008 0.000 1.014 220 L CA 0.464 55.307 54.840 0.004 0.000 0.815 220 L CB 1.803 43.841 42.059 -0.035 0.000 1.247 220 L HN 1.061 nan 8.230 nan 0.000 0.421 221 G N 4.129 112.929 108.800 0.001 0.000 2.866 221 G HA2 0.516 4.482 3.960 0.009 0.000 0.289 221 G HA3 0.516 4.482 3.960 0.009 0.000 0.289 221 G C -1.871 173.029 174.900 -0.001 0.000 1.396 221 G CA -0.626 44.469 45.100 -0.007 0.000 0.848 221 G HN 0.672 nan 8.290 nan 0.000 0.515 222 I N 0.918 121.487 120.570 -0.001 0.000 2.389 222 I HA 0.461 4.636 4.170 0.009 0.000 0.288 222 I C -0.208 175.885 176.117 -0.041 0.000 0.999 222 I CA -0.866 60.429 61.300 -0.008 0.000 1.129 222 I CB 1.561 39.588 38.000 0.046 0.000 1.288 222 I HN 0.226 nan 8.210 nan 0.000 0.444 223 V N 8.253 128.111 119.914 -0.093 0.000 2.557 223 V HA 0.028 4.154 4.120 0.009 0.000 0.301 223 V C 1.097 177.099 176.094 -0.153 0.000 1.026 223 V CA 1.033 63.266 62.300 -0.112 0.000 1.137 223 V CB 0.663 32.409 31.823 -0.128 0.000 0.917 223 V HN 0.976 nan 8.190 nan 0.000 0.484 224 A N 4.412 127.196 122.820 -0.061 0.000 1.984 224 A HA 0.363 4.688 4.320 0.009 0.000 0.203 224 A C 1.020 178.587 177.584 -0.029 0.000 1.292 224 A CA 0.924 52.972 52.037 0.017 0.000 0.782 224 A CB 0.308 19.333 19.000 0.042 0.000 0.924 224 A HN 0.858 nan 8.150 nan 0.000 0.475 225 T N -2.468 112.062 114.554 -0.039 0.000 2.896 225 T HA 0.621 4.977 4.350 0.009 0.000 0.297 225 T C -0.450 174.229 174.700 -0.034 0.000 1.108 225 T CA 0.205 62.274 62.100 -0.051 0.000 1.004 225 T CB 1.707 70.575 68.868 -0.001 0.000 1.159 225 T HN 0.816 nan 8.240 nan 0.000 0.499 226 T N -2.028 112.508 114.554 -0.030 0.000 2.778 226 T HA 0.791 5.147 4.350 0.009 0.000 0.293 226 T C 0.959 175.679 174.700 0.033 0.000 1.144 226 T CA 0.097 62.200 62.100 0.005 0.000 1.010 226 T CB 0.971 69.839 68.868 0.001 0.000 1.325 226 T HN 2.196 nan 8.240 nan 0.000 0.515 227 G N 0.240 109.070 108.800 0.050 0.000 2.594 227 G HA2 -0.294 3.672 3.960 0.009 0.000 0.297 227 G HA3 -0.294 3.672 3.960 0.009 0.000 0.297 227 G C 1.140 176.070 174.900 0.050 0.000 1.273 227 G CA 1.813 46.948 45.100 0.058 0.000 0.974 227 G HN 2.167 nan 8.290 nan 0.000 0.552 228 V N -2.229 117.714 119.914 0.049 0.000 3.444 228 V HA 0.235 4.361 4.120 0.009 0.000 0.271 228 V C 2.131 178.248 176.094 0.037 0.000 1.188 228 V CA 2.632 64.955 62.300 0.040 0.000 1.168 228 V CB 0.138 31.982 31.823 0.035 0.000 0.810 228 V HN 0.772 nan 8.190 nan 0.000 0.500 229 S N 0.536 116.261 115.700 0.042 0.000 2.548 229 S HA 0.097 4.572 4.470 0.009 0.000 0.215 229 S C 1.109 175.733 174.600 0.041 0.000 0.976 229 S CA 0.570 58.794 58.200 0.040 0.000 0.908 229 S CB -0.167 63.058 63.200 0.043 0.000 0.781 229 S HN 0.922 nan 8.310 nan 0.000 0.519 230 T N 0.641 115.223 114.554 0.046 0.000 2.813 230 T HA 0.240 4.595 4.350 0.009 0.000 0.297 230 T C 1.059 175.786 174.700 0.046 0.000 1.036 230 T CA -0.539 61.600 62.100 0.066 0.000 1.044 230 T CB 0.630 69.543 68.868 0.076 0.000 0.993 230 T HN -0.098 nan 8.240 nan 0.000 0.535 231 E N 0.660 120.889 120.200 0.049 0.000 2.108 231 E HA -0.160 4.196 4.350 0.009 0.000 0.203 231 E C 1.996 178.566 176.600 -0.050 0.000 1.022 231 E CA 1.367 57.737 56.400 -0.051 0.000 0.823 231 E CB -0.561 29.014 29.700 -0.209 0.000 0.744 231 E HN 0.753 nan 8.360 nan 0.000 0.456 232 I N 0.243 120.806 120.570 -0.012 0.000 2.315 232 I HA -0.108 4.068 4.170 0.009 0.000 0.248 232 I C 2.467 178.596 176.117 0.019 0.000 1.117 232 I CA 1.523 62.827 61.300 0.007 0.000 1.404 232 I CB -0.935 37.094 38.000 0.048 0.000 1.071 232 I HN 0.075 nan 8.210 nan 0.000 0.419 233 G N 0.401 109.217 108.800 0.027 0.000 2.421 233 G HA2 -0.148 3.818 3.960 0.009 0.000 0.217 233 G HA3 -0.148 3.818 3.960 0.009 0.000 0.217 233 G C 1.737 176.646 174.900 0.014 0.000 1.143 233 G CA 0.268 45.384 45.100 0.027 0.000 0.784 233 G HN 0.321 nan 8.290 nan 0.000 0.541 234 K N -0.124 120.279 120.400 0.005 0.000 2.057 234 K HA 0.066 4.392 4.320 0.009 0.000 0.206 234 K C 2.335 178.927 176.600 -0.014 0.000 1.050 234 K CA 0.743 57.027 56.287 -0.005 0.000 0.935 234 K CB -0.190 32.302 32.500 -0.013 0.000 0.715 234 K HN 0.292 nan 8.250 nan 0.000 0.439 235 I N 0.990 121.548 120.570 -0.020 0.000 2.286 235 I HA -0.273 3.903 4.170 0.009 0.000 0.248 235 I C 2.683 178.796 176.117 -0.008 0.000 1.115 235 I CA 0.884 62.172 61.300 -0.021 0.000 1.392 235 I CB -0.179 37.804 38.000 -0.029 0.000 1.065 235 I HN 0.155 nan 8.210 nan 0.000 0.418 236 R N 1.063 121.565 120.500 0.003 0.000 2.096 236 R HA -0.226 4.119 4.340 0.009 0.000 0.240 236 R C 1.703 178.004 176.300 0.001 0.000 1.139 236 R CA 2.280 58.384 56.100 0.007 0.000 0.952 236 R CB -0.528 29.781 30.300 0.015 0.000 0.854 236 R HN 0.309 nan 8.270 nan 0.000 0.436 237 D N 0.564 120.964 120.400 0.001 0.000 2.097 237 D HA -0.144 4.502 4.640 0.009 0.000 0.195 237 D C 2.148 178.443 176.300 -0.008 0.000 0.989 237 D CA 1.165 55.164 54.000 -0.001 0.000 0.827 237 D CB -0.296 40.505 40.800 0.002 0.000 0.966 237 D HN 0.382 nan 8.370 nan 0.000 0.456 238 Q N -0.268 119.524 119.800 -0.013 0.000 2.152 238 Q HA -0.158 4.188 4.340 0.009 0.000 0.206 238 Q C 2.284 178.272 176.000 -0.019 0.000 0.985 238 Q CA 1.176 56.967 55.803 -0.020 0.000 0.863 238 Q CB -0.204 28.518 28.738 -0.026 0.000 0.904 238 Q HN 0.394 nan 8.270 nan 0.000 0.422 239 M N -0.149 119.442 119.600 -0.015 0.000 2.200 239 M HA -0.083 4.402 4.480 0.009 0.000 0.265 239 M C 2.396 178.688 176.300 -0.013 0.000 1.066 239 M CA 1.261 56.552 55.300 -0.015 0.000 1.127 239 M CB -0.306 32.288 32.600 -0.011 0.000 1.379 239 M HN 0.216 nan 8.290 nan 0.000 0.420 240 A N 0.590 123.404 122.820 -0.010 0.000 1.933 240 A HA 0.002 4.328 4.320 0.009 0.000 0.218 240 A C 2.291 179.868 177.584 -0.012 0.000 1.175 240 A CA 1.803 53.835 52.037 -0.010 0.000 0.628 240 A CB -0.785 18.211 19.000 -0.006 0.000 0.814 240 A HN 0.494 nan 8.150 nan 0.000 0.444 241 A N -0.583 122.229 122.820 -0.013 0.000 2.206 241 A HA 0.231 4.556 4.320 0.009 0.000 0.211 241 A C 1.411 178.984 177.584 -0.018 0.000 1.158 241 A CA 1.318 53.346 52.037 -0.015 0.000 0.761 241 A CB -0.825 18.166 19.000 -0.015 0.000 0.801 241 A HN 0.650 nan 8.150 nan 0.000 0.473 242 T N -1.146 113.396 114.554 -0.019 0.000 2.767 242 T HA 0.491 4.847 4.350 0.009 0.000 0.284 242 T C -0.603 174.086 174.700 -0.019 0.000 0.973 242 T CA -0.635 61.452 62.100 -0.021 0.000 0.996 242 T CB 1.179 70.032 68.868 -0.025 0.000 0.927 242 T HN 0.339 nan 8.240 nan 0.000 0.456 243 E N 2.836 123.025 120.200 -0.018 0.000 2.191 243 E HA 0.306 4.662 4.350 0.009 0.000 0.274 243 E C -0.672 175.919 176.600 -0.015 0.000 0.948 243 E CA -0.806 55.585 56.400 -0.016 0.000 0.802 243 E CB 1.367 31.059 29.700 -0.013 0.000 1.137 243 E HN 0.650 nan 8.360 nan 0.000 0.397 244 Q N 2.437 122.228 119.800 -0.015 0.000 2.286 244 Q HA 0.119 4.465 4.340 0.009 0.000 0.257 244 Q C -1.011 174.982 176.000 -0.012 0.000 0.941 244 Q CA -0.057 55.737 55.803 -0.014 0.000 0.912 244 Q CB 0.897 29.626 28.738 -0.015 0.000 1.192 244 Q HN 0.393 nan 8.270 nan 0.000 0.410 245 D N 2.429 122.822 120.400 -0.011 0.000 2.358 245 D HA 0.103 4.748 4.640 0.009 0.000 0.244 245 D C -0.341 175.955 176.300 -0.008 0.000 1.163 245 D CA -0.044 53.951 54.000 -0.008 0.000 0.945 245 D CB 0.753 41.548 40.800 -0.008 0.000 1.152 245 D HN 0.387 nan 8.370 nan 0.000 0.451 246 K N 0.112 120.510 120.400 -0.003 0.000 2.185 246 K HA 0.202 4.527 4.320 0.009 0.000 0.271 246 K C 0.508 177.105 176.600 -0.006 0.000 1.013 246 K CA -0.534 55.752 56.287 -0.001 0.000 0.943 246 K CB 0.530 33.034 32.500 0.006 0.000 0.998 246 K HN 0.412 nan 8.250 nan 0.000 0.468 247 T N -0.207 114.342 114.554 -0.008 0.000 2.937 247 T HA 0.032 4.387 4.350 0.009 0.000 0.316 247 T C -1.328 173.362 174.700 -0.017 0.000 1.079 247 T CA -1.334 60.754 62.100 -0.020 0.000 1.131 247 T CB 0.456 69.311 68.868 -0.021 0.000 1.000 247 T HN 0.368 nan 8.240 nan 0.000 0.549 248 P HA -0.110 nan 4.420 nan 0.000 0.217 248 P C 1.651 178.949 177.300 -0.003 0.000 1.148 248 P CA 0.665 63.748 63.100 -0.028 0.000 0.828 248 P CB 0.015 31.677 31.700 -0.065 0.000 0.783 249 L N -0.014 121.209 121.223 0.000 0.000 1.988 249 L HA -0.129 4.217 4.340 0.009 0.000 0.207 249 L C 2.769 179.667 176.870 0.045 0.000 1.071 249 L CA 1.830 56.701 54.840 0.053 0.000 0.744 249 L CB -1.338 40.779 42.059 0.096 0.000 0.893 249 L HN -0.195 nan 8.230 nan 0.000 0.433 250 Q N -0.736 119.085 119.800 0.035 0.000 2.242 250 Q HA -0.348 3.997 4.340 0.009 0.000 0.211 250 Q C 2.283 178.308 176.000 0.041 0.000 0.992 250 Q CA 2.377 58.203 55.803 0.037 0.000 0.889 250 Q CB -0.199 28.555 28.738 0.027 0.000 0.913 250 Q HN 0.645 nan 8.270 nan 0.000 0.422 251 Q N -0.127 119.694 119.800 0.035 0.000 2.049 251 Q HA -0.163 4.183 4.340 0.009 0.000 0.198 251 Q C 1.712 177.747 176.000 0.057 0.000 0.971 251 Q CA 0.885 56.711 55.803 0.039 0.000 0.833 251 Q CB 0.254 29.008 28.738 0.027 0.000 0.896 251 Q HN 0.119 nan 8.270 nan 0.000 0.434 252 K N 0.589 121.026 120.400 0.062 0.000 2.032 252 K HA -0.147 4.179 4.320 0.009 0.000 0.209 252 K C 2.090 178.762 176.600 0.120 0.000 1.048 252 K CA 1.046 57.383 56.287 0.083 0.000 0.927 252 K CB -0.552 31.988 32.500 0.067 0.000 0.712 252 K HN 0.322 nan 8.250 nan 0.000 0.441 253 L N 1.160 122.443 121.223 0.100 0.000 2.191 253 L HA -0.203 4.143 4.340 0.009 0.000 0.212 253 L C 1.608 178.577 176.870 0.165 0.000 1.103 253 L CA 1.090 56.013 54.840 0.140 0.000 0.769 253 L CB -0.422 41.690 42.059 0.089 0.000 0.908 253 L HN 0.113 nan 8.230 nan 0.000 0.438 254 D N -0.513 119.952 120.400 0.108 0.000 2.162 254 D HA -0.163 4.483 4.640 0.009 0.000 0.203 254 D C 2.027 178.373 176.300 0.077 0.000 0.967 254 D CA 0.763 54.811 54.000 0.080 0.000 0.840 254 D CB 0.065 40.897 40.800 0.053 0.000 0.972 254 D HN 0.294 nan 8.370 nan 0.000 0.482 255 E N -0.475 119.782 120.200 0.094 0.000 2.106 255 E HA -0.172 4.183 4.350 0.009 0.000 0.192 255 E C 1.808 178.476 176.600 0.114 0.000 0.984 255 E CA 0.505 56.957 56.400 0.088 0.000 0.806 255 E CB -0.112 29.642 29.700 0.091 0.000 0.750 255 E HN 0.215 nan 8.360 nan 0.000 0.458 256 F N 0.823 120.785 119.950 0.019 0.000 2.186 256 F HA 0.016 4.548 4.527 0.009 0.000 0.299 256 F C 1.905 177.712 175.800 0.010 0.000 1.090 256 F CA 1.726 59.735 58.000 0.015 0.000 1.307 256 F CB -0.673 38.331 39.000 0.006 0.000 1.019 256 F HN 0.039 nan 8.300 nan 0.000 0.489 257 G N 0.348 109.147 108.800 -0.002 0.000 2.514 257 G HA2 -0.286 3.680 3.960 0.009 0.000 0.217 257 G HA3 -0.286 3.680 3.960 0.009 0.000 0.217 257 G C 1.619 176.432 174.900 -0.145 0.000 1.198 257 G CA 1.025 46.071 45.100 -0.090 0.000 0.780 257 G HN 0.387 nan 8.290 nan 0.000 0.565 258 E N 0.071 120.225 120.200 -0.076 0.000 2.051 258 E HA -0.117 4.238 4.350 0.009 0.000 0.192 258 E C 2.705 179.246 176.600 -0.098 0.000 0.991 258 E CA 0.876 57.237 56.400 -0.065 0.000 0.799 258 E CB -0.186 29.500 29.700 -0.024 0.000 0.748 258 E HN 0.437 nan 8.360 nan 0.000 0.449 259 Q N 0.189 119.918 119.800 -0.118 0.000 2.291 259 Q HA -0.103 4.243 4.340 0.009 0.000 0.205 259 Q C 2.250 178.128 176.000 -0.203 0.000 0.970 259 Q CA 0.440 56.174 55.803 -0.116 0.000 0.876 259 Q CB -0.080 28.627 28.738 -0.053 0.000 0.935 259 Q HN 0.182 nan 8.270 nan 0.000 0.455 260 L N 0.203 121.199 121.223 -0.380 0.000 2.023 260 L HA -0.091 4.255 4.340 0.009 0.000 0.205 260 L C 2.414 179.163 176.870 -0.202 0.000 1.073 260 L CA 1.858 56.459 54.840 -0.397 0.000 0.745 260 L CB -0.973 40.694 42.059 -0.652 0.000 0.900 260 L HN 0.045 nan 8.230 nan 0.000 0.435 261 S N -0.766 114.836 115.700 -0.164 0.000 2.387 261 S HA -0.313 4.163 4.470 0.009 0.000 0.230 261 S C 2.186 176.746 174.600 -0.068 0.000 1.035 261 S CA 1.932 60.075 58.200 -0.094 0.000 1.014 261 S CB -0.328 62.828 63.200 -0.074 0.000 0.836 261 S HN 0.464 nan 8.310 nan 0.000 0.466 262 K N 0.649 121.008 120.400 -0.069 0.000 2.025 262 K HA 0.037 4.363 4.320 0.009 0.000 0.207 262 K C 1.857 178.438 176.600 -0.032 0.000 1.049 262 K CA 1.770 58.032 56.287 -0.042 0.000 0.933 262 K CB -0.704 31.775 32.500 -0.035 0.000 0.714 262 K HN 0.276 nan 8.250 nan 0.000 0.438 263 V N 1.027 120.914 119.914 -0.046 0.000 2.358 263 V HA -0.204 3.922 4.120 0.009 0.000 0.246 263 V C 2.244 178.332 176.094 -0.010 0.000 1.047 263 V CA 1.760 64.044 62.300 -0.026 0.000 1.035 263 V CB -0.381 31.419 31.823 -0.039 0.000 0.658 263 V HN 0.294 nan 8.190 nan 0.000 0.452 264 I N 1.208 121.762 120.570 -0.027 0.000 2.069 264 I HA -0.249 3.926 4.170 0.009 0.000 0.237 264 I C 2.288 178.413 176.117 0.013 0.000 1.053 264 I CA 2.202 63.498 61.300 -0.006 0.000 1.311 264 I CB -0.474 37.509 38.000 -0.028 0.000 1.030 264 I HN 0.467 nan 8.210 nan 0.000 0.398 265 S N 0.523 116.221 115.700 -0.003 0.000 2.754 265 S HA 0.074 4.550 4.470 0.009 0.000 0.223 265 S C 1.369 175.979 174.600 0.016 0.000 0.951 265 S CA 0.017 58.218 58.200 0.003 0.000 0.954 265 S CB -0.061 63.129 63.200 -0.017 0.000 0.780 265 S HN 0.388 nan 8.310 nan 0.000 0.509 266 L N 0.209 121.451 121.223 0.031 0.000 2.638 266 L HA 0.478 4.824 4.340 0.009 0.000 0.232 266 L C 1.273 178.200 176.870 0.094 0.000 1.099 266 L CA 0.527 55.395 54.840 0.047 0.000 0.883 266 L CB -0.154 41.923 42.059 0.030 0.000 1.136 266 L HN 0.360 nan 8.230 nan 0.000 0.492 267 I N -1.247 119.393 120.570 0.117 0.000 2.703 267 I HA -0.162 4.014 4.170 0.009 0.000 0.259 267 I C 2.509 178.749 176.117 0.204 0.000 1.151 267 I CA 0.322 61.750 61.300 0.214 0.000 1.470 267 I CB -0.183 37.961 38.000 0.239 0.000 1.112 267 I HN 0.176 nan 8.210 nan 0.000 0.437 268 C N 0.392 119.775 119.300 0.138 0.000 2.413 268 C HA -0.113 4.353 4.460 0.009 0.000 0.277 268 C C 2.844 177.932 174.990 0.164 0.000 1.265 268 C CA 0.721 59.820 59.018 0.136 0.000 1.752 268 C CB -0.674 27.110 27.740 0.072 0.000 1.998 268 C HN 0.349 nan 8.230 nan 0.000 0.489 269 V N 0.950 120.940 119.914 0.128 0.000 2.488 269 V HA -0.084 4.042 4.120 0.009 0.000 0.246 269 V C 2.644 178.884 176.094 0.242 0.000 1.046 269 V CA 1.896 64.280 62.300 0.140 0.000 1.053 269 V CB -1.192 30.665 31.823 0.056 0.000 0.679 269 V HN 0.560 nan 8.190 nan 0.000 0.458 270 A N 0.073 123.028 122.820 0.226 0.000 1.898 270 A HA -0.140 4.186 4.320 0.009 0.000 0.216 270 A C 2.416 180.142 177.584 0.236 0.000 1.181 270 A CA 1.957 54.147 52.037 0.255 0.000 0.620 270 A CB -0.697 18.501 19.000 0.330 0.000 0.819 270 A HN 0.295 nan 8.150 nan 0.000 0.442 271 V N -2.090 117.953 119.914 0.216 0.000 2.287 271 V HA -0.294 3.832 4.120 0.009 0.000 0.248 271 V C 2.192 178.456 176.094 0.283 0.000 1.053 271 V CA 2.138 64.534 62.300 0.160 0.000 1.027 271 V CB -0.904 31.019 31.823 0.166 0.000 0.646 271 V HN 0.845 nan 8.190 nan 0.000 0.447 272 W N 0.021 121.408 121.300 0.144 0.000 2.338 272 W HA -0.176 4.490 4.660 0.009 0.000 0.304 272 W C 2.219 178.779 176.519 0.068 0.000 1.212 272 W CA 1.638 59.041 57.345 0.098 0.000 1.264 272 W CB -0.141 29.324 29.460 0.007 0.000 1.142 272 W HN 0.150 nan 8.180 nan 0.000 0.512 273 L N -0.284 121.129 121.223 0.318 0.000 2.217 273 L HA -0.148 4.198 4.340 0.009 0.000 0.211 273 L C 2.149 179.048 176.870 0.048 0.000 1.107 273 L CA 0.894 55.836 54.840 0.171 0.000 0.783 273 L CB -0.453 41.732 42.059 0.210 0.000 0.919 273 L HN 0.006 nan 8.230 nan 0.000 0.442 274 I N -0.838 119.773 120.570 0.068 0.000 2.584 274 I HA -0.179 3.997 4.170 0.009 0.000 0.255 274 I C 0.965 177.073 176.117 -0.015 0.000 1.145 274 I CA 0.804 62.121 61.300 0.027 0.000 1.462 274 I CB -0.055 37.960 38.000 0.025 0.000 1.102 274 I HN 0.214 nan 8.210 nan 0.000 0.433 275 N N 2.219 120.919 118.700 0.001 0.000 3.303 275 N HA 0.106 4.852 4.740 0.009 0.000 0.304 275 N C 0.401 175.826 175.510 -0.142 0.000 1.302 275 N CA -0.177 52.872 53.050 -0.002 0.000 1.213 275 N CB 0.385 39.021 38.487 0.249 0.000 1.481 275 N HN 0.214 nan 8.380 nan 0.000 0.546 276 I N 0.327 120.800 120.570 -0.161 0.000 3.812 276 I HA 0.080 4.256 4.170 0.009 0.000 0.319 276 I C 1.827 177.909 176.117 -0.058 0.000 1.353 276 I CA 0.279 61.474 61.300 -0.176 0.000 1.170 276 I CB -0.615 37.270 38.000 -0.192 0.000 1.057 276 I HN 0.291 nan 8.210 nan 0.000 0.411 277 G N 0.431 109.192 108.800 -0.066 0.000 2.473 277 G HA2 -0.146 3.820 3.960 0.009 0.000 0.212 277 G HA3 -0.146 3.820 3.960 0.009 0.000 0.212 277 G C 1.415 176.301 174.900 -0.022 0.000 1.211 277 G CA 0.175 45.222 45.100 -0.088 0.000 0.813 277 G HN 0.323 nan 8.290 nan 0.000 0.541 278 H N -0.464 118.645 119.070 0.064 0.000 2.460 278 H HA -0.041 4.521 4.556 0.009 0.000 0.297 278 H C 1.893 177.253 175.328 0.054 0.000 1.103 278 H CA 0.679 56.773 56.048 0.077 0.000 1.292 278 H CB -0.265 29.599 29.762 0.170 0.000 1.376 278 H HN 0.363 nan 8.280 nan 0.000 0.531 279 F N -0.012 119.952 119.950 0.024 0.000 2.811 279 F HA -0.021 4.512 4.527 0.009 0.000 0.301 279 F C 1.638 177.404 175.800 -0.056 0.000 1.151 279 F CA 0.452 58.421 58.000 -0.052 0.000 1.412 279 F CB 0.450 39.366 39.000 -0.139 0.000 1.113 279 F HN 0.061 nan 8.300 nan 0.000 0.579 280 N N -1.691 117.062 118.700 0.088 0.000 2.026 280 N HA -0.035 4.711 4.740 0.009 0.000 0.239 280 N C 1.044 176.557 175.510 0.005 0.000 1.283 280 N CA 0.481 53.554 53.050 0.039 0.000 0.816 280 N CB 0.074 38.592 38.487 0.051 0.000 1.263 280 N HN -0.066 nan 8.380 nan 0.000 0.470 281 D N 0.919 121.325 120.400 0.010 0.000 2.165 281 D HA 0.123 4.768 4.640 0.009 0.000 0.213 281 D C -1.544 174.752 176.300 -0.007 0.000 0.983 281 D CA 0.788 54.783 54.000 -0.007 0.000 0.881 281 D CB -1.506 39.280 40.800 -0.022 0.000 1.028 281 D HN 0.247 nan 8.370 nan 0.000 0.457 282 P HA -0.001 nan 4.420 nan 0.000 0.267 282 P C 1.331 178.606 177.300 -0.041 0.000 1.328 282 P CA 0.027 63.125 63.100 -0.003 0.000 0.990 282 P CB 0.575 32.308 31.700 0.055 0.000 1.168 283 V N 1.298 121.169 119.914 -0.073 0.000 2.278 283 V HA -0.197 3.929 4.120 0.009 0.000 0.251 283 V C 1.141 177.267 176.094 0.052 0.000 1.062 283 V CA 1.634 63.915 62.300 -0.031 0.000 1.038 283 V CB -1.539 30.264 31.823 -0.034 0.000 0.646 283 V HN 0.687 nan 8.190 nan 0.000 0.447 284 H N -2.865 116.184 119.070 -0.036 0.000 2.863 284 H HA 0.553 5.115 4.556 0.010 0.000 0.274 284 H C 0.384 175.703 175.328 -0.016 0.000 1.457 284 H CA -0.240 55.788 56.048 -0.033 0.000 1.151 284 H CB 1.070 30.811 29.762 -0.035 0.000 1.844 284 H HN 0.794 nan 8.280 nan 0.000 0.562 285 G N -1.857 107.031 108.800 0.147 0.000 2.613 285 G HA2 0.203 4.169 3.960 0.009 0.000 0.199 285 G HA3 0.203 4.169 3.960 0.009 0.000 0.199 285 G C 0.946 175.883 174.900 0.062 0.000 0.991 285 G CA 0.736 45.880 45.100 0.072 0.000 0.756 285 G HN 1.780 nan 8.290 nan 0.000 0.515 286 G N -0.268 108.581 108.800 0.081 0.000 2.132 286 G HA2 -0.078 3.888 3.960 0.009 0.000 0.228 286 G HA3 -0.078 3.888 3.960 0.009 0.000 0.228 286 G C 0.848 175.783 174.900 0.057 0.000 1.000 286 G CA 0.776 45.922 45.100 0.077 0.000 0.693 286 G HN 1.361 nan 8.290 nan 0.000 0.515 287 S N -1.033 114.699 115.700 0.053 0.000 2.631 287 S HA 0.105 4.581 4.470 0.009 0.000 0.217 287 S C 1.508 176.146 174.600 0.065 0.000 0.958 287 S CA 0.702 58.909 58.200 0.012 0.000 0.920 287 S CB -0.117 63.065 63.200 -0.031 0.000 0.776 287 S HN 0.630 nan 8.310 nan 0.000 0.517 288 W N 1.713 122.956 121.300 -0.095 0.000 2.388 288 W HA 0.103 4.769 4.660 0.009 0.000 0.294 288 W C 1.378 177.840 176.519 -0.094 0.000 1.212 288 W CA 0.337 57.627 57.345 -0.093 0.000 1.271 288 W CB -0.365 29.044 29.460 -0.085 0.000 1.126 288 W HN 0.318 nan 8.180 nan 0.000 0.535 289 I N -0.055 120.448 120.570 -0.112 0.000 3.941 289 I HA 0.156 4.332 4.170 0.009 0.000 0.321 289 I C 2.325 178.320 176.117 -0.204 0.000 1.284 289 I CA 0.529 61.664 61.300 -0.276 0.000 1.226 289 I CB -0.440 37.346 38.000 -0.357 0.000 1.045 289 I HN -0.181 nan 8.210 nan 0.000 0.420 290 R N -0.357 120.074 120.500 -0.116 0.000 2.210 290 R HA 0.131 4.477 4.340 0.009 0.000 0.203 290 R C 1.788 178.039 176.300 -0.082 0.000 1.010 290 R CA 0.910 56.950 56.100 -0.100 0.000 1.008 290 R CB 0.009 30.269 30.300 -0.067 0.000 0.923 290 R HN 0.424 nan 8.270 nan 0.000 0.469 291 G N -1.070 107.680 108.800 -0.084 0.000 2.833 291 G HA2 0.022 3.987 3.960 0.009 0.000 0.210 291 G HA3 0.022 3.987 3.960 0.009 0.000 0.210 291 G C 1.111 176.054 174.900 0.071 0.000 1.139 291 G CA 0.388 45.408 45.100 -0.134 0.000 0.771 291 G HN 0.278 nan 8.290 nan 0.000 0.535 292 A N 0.726 123.604 122.820 0.097 0.000 2.167 292 A HA 0.267 4.592 4.320 0.009 0.000 0.214 292 A C 2.011 179.610 177.584 0.024 0.000 1.151 292 A CA 0.402 52.551 52.037 0.187 0.000 0.735 292 A CB -0.157 18.802 19.000 -0.069 0.000 0.802 292 A HN 0.261 nan 8.150 nan 0.000 0.467 293 I N -1.400 119.146 120.570 -0.041 0.000 2.676 293 I HA -0.155 4.021 4.170 0.009 0.000 0.259 293 I C 2.118 178.323 176.117 0.147 0.000 1.194 293 I CA 1.070 62.358 61.300 -0.021 0.000 1.473 293 I CB -1.179 36.792 38.000 -0.048 0.000 1.096 293 I HN 0.578 nan 8.210 nan 0.000 0.443 294 Y N 1.096 121.395 120.300 -0.001 0.000 2.263 294 Y HA -0.242 4.313 4.550 0.009 0.000 0.292 294 Y C 2.368 178.252 175.900 -0.026 0.000 1.130 294 Y CA 1.596 59.658 58.100 -0.064 0.000 1.179 294 Y CB -0.541 37.796 38.460 -0.204 0.000 0.998 294 Y HN 0.125 nan 8.280 nan 0.000 0.532 295 Y N -2.216 118.158 120.300 0.123 0.000 2.314 295 Y HA -0.142 4.414 4.550 0.010 0.000 0.293 295 Y C 1.960 177.998 175.900 0.230 0.000 1.129 295 Y CA 0.962 59.137 58.100 0.126 0.000 1.201 295 Y CB -0.683 37.942 38.460 0.274 0.000 0.999 295 Y HN 0.047 nan 8.280 nan 0.000 0.541 296 F N 0.505 120.539 119.950 0.140 0.000 2.407 296 F HA -0.047 4.485 4.527 0.009 0.000 0.299 296 F C 2.229 178.044 175.800 0.025 0.000 1.097 296 F CA 0.743 58.789 58.000 0.077 0.000 1.422 296 F CB -0.412 38.634 39.000 0.077 0.000 1.067 296 F HN -0.016 nan 8.300 nan 0.000 0.539 297 K N 0.769 121.263 120.400 0.158 0.000 2.076 297 K HA -0.104 4.222 4.320 0.009 0.000 0.204 297 K C 1.954 178.535 176.600 -0.032 0.000 1.051 297 K CA 1.515 57.831 56.287 0.049 0.000 0.949 297 K CB -0.160 32.357 32.500 0.028 0.000 0.726 297 K HN 0.283 nan 8.250 nan 0.000 0.443 298 I N -1.200 119.291 120.570 -0.132 0.000 2.761 298 I HA 0.069 4.245 4.170 0.009 0.000 0.261 298 I C 1.987 178.083 176.117 -0.034 0.000 1.198 298 I CA 0.900 62.124 61.300 -0.126 0.000 1.482 298 I CB -0.418 37.433 38.000 -0.248 0.000 1.100 298 I HN -0.021 nan 8.210 nan 0.000 0.445 299 A N 2.191 125.008 122.820 -0.004 0.000 1.841 299 A HA -0.152 4.174 4.320 0.009 0.000 0.216 299 A C 2.446 180.014 177.584 -0.027 0.000 1.199 299 A CA 3.069 55.096 52.037 -0.017 0.000 0.621 299 A CB -1.479 17.474 19.000 -0.079 0.000 0.835 299 A HN 0.549 nan 8.150 nan 0.000 0.445 300 V N -2.397 117.502 119.914 -0.025 0.000 2.594 300 V HA -0.047 4.079 4.120 0.009 0.000 0.253 300 V C 2.415 178.513 176.094 0.007 0.000 1.069 300 V CA 1.958 64.252 62.300 -0.010 0.000 1.082 300 V CB -1.448 30.378 31.823 0.005 0.000 0.680 300 V HN 0.562 nan 8.190 nan 0.000 0.469 301 A N 0.103 122.928 122.820 0.007 0.000 1.970 301 A HA 0.108 4.434 4.320 0.009 0.000 0.216 301 A C 2.224 179.820 177.584 0.020 0.000 1.170 301 A CA 1.534 53.580 52.037 0.016 0.000 0.645 301 A CB -0.428 18.576 19.000 0.006 0.000 0.816 301 A HN 0.465 nan 8.150 nan 0.000 0.447 302 L N -0.441 120.792 121.223 0.016 0.000 2.072 302 L HA -0.053 4.292 4.340 0.009 0.000 0.205 302 L C 2.727 179.608 176.870 0.019 0.000 1.079 302 L CA 2.025 56.883 54.840 0.030 0.000 0.752 302 L CB -1.284 40.798 42.059 0.039 0.000 0.906 302 L HN 0.406 nan 8.230 nan 0.000 0.436 303 A N 0.133 122.957 122.820 0.006 0.000 1.841 303 A HA -0.220 4.106 4.320 0.009 0.000 0.216 303 A C 2.242 179.830 177.584 0.008 0.000 1.199 303 A CA 2.854 54.890 52.037 -0.001 0.000 0.621 303 A CB -1.266 17.727 19.000 -0.011 0.000 0.835 303 A HN 0.415 nan 8.150 nan 0.000 0.445 304 V N -2.353 117.570 119.914 0.015 0.000 2.720 304 V HA -0.026 4.100 4.120 0.009 0.000 0.256 304 V C 2.402 178.509 176.094 0.021 0.000 1.082 304 V CA 1.948 64.262 62.300 0.022 0.000 1.101 304 V CB -1.398 30.445 31.823 0.034 0.000 0.693 304 V HN 0.588 nan 8.190 nan 0.000 0.479 305 A N 0.307 123.139 122.820 0.020 0.000 1.969 305 A HA 0.259 4.585 4.320 0.009 0.000 0.218 305 A C 2.401 179.991 177.584 0.009 0.000 1.169 305 A CA 2.038 54.085 52.037 0.016 0.000 0.635 305 A CB -0.693 18.322 19.000 0.025 0.000 0.810 305 A HN 0.934 nan 8.150 nan 0.000 0.445 306 A N -0.472 122.355 122.820 0.013 0.000 1.887 306 A HA 0.323 4.649 4.320 0.009 0.000 0.210 306 A C 0.877 178.484 177.584 0.039 0.000 1.221 306 A CA 0.094 52.140 52.037 0.015 0.000 0.635 306 A CB -0.213 18.783 19.000 -0.007 0.000 0.881 306 A HN 0.301 nan 8.150 nan 0.000 0.456 307 I N 2.094 122.682 120.570 0.029 0.000 2.752 307 I HA 0.042 4.218 4.170 0.009 0.000 0.286 307 I C -2.271 173.877 176.117 0.052 0.000 1.180 307 I CA -1.251 60.078 61.300 0.049 0.000 1.404 307 I CB -0.103 37.915 38.000 0.031 0.000 1.389 307 I HN 0.123 nan 8.210 nan 0.000 0.549 308 P HA 0.103 nan 4.420 nan 0.000 0.214 308 P C 0.110 177.422 177.300 0.019 0.000 1.826 308 P CA -0.476 62.642 63.100 0.029 0.000 0.977 308 P CB -0.217 31.495 31.700 0.020 0.000 1.930 309 E N 0.308 120.518 120.200 0.016 0.000 2.521 309 E HA -0.046 4.310 4.350 0.009 0.000 0.270 309 E C 1.148 177.741 176.600 -0.013 0.000 1.082 309 E CA 0.767 57.172 56.400 0.008 0.000 0.997 309 E CB -0.485 29.219 29.700 0.007 0.000 0.990 309 E HN 0.373 nan 8.360 nan 0.000 0.458 310 G N 0.917 109.707 108.800 -0.016 0.000 2.353 310 G HA2 -0.399 3.566 3.960 0.009 0.000 0.258 310 G HA3 -0.399 3.566 3.960 0.009 0.000 0.258 310 G C 0.722 175.605 174.900 -0.029 0.000 1.013 310 G CA 0.627 45.706 45.100 -0.034 0.000 0.622 310 G HN 0.535 nan 8.290 nan 0.000 0.535 311 L N 2.053 123.273 121.223 -0.005 0.000 2.013 311 L HA 0.069 4.415 4.340 0.009 0.000 0.212 311 L C 0.602 177.501 176.870 0.048 0.000 1.073 311 L CA 3.406 58.265 54.840 0.032 0.000 0.753 311 L CB -1.183 40.900 42.059 0.041 0.000 0.890 311 L HN 0.264 nan 8.230 nan 0.000 0.432 312 P HA -0.295 nan 4.420 nan 0.000 0.218 312 P C 1.581 178.892 177.300 0.019 0.000 1.165 312 P CA 2.599 65.718 63.100 0.031 0.000 0.922 312 P CB -0.292 31.415 31.700 0.012 0.000 0.794 313 A N -1.127 121.684 122.820 -0.014 0.000 1.902 313 A HA -0.161 4.165 4.320 0.009 0.000 0.217 313 A C 2.329 179.884 177.584 -0.048 0.000 1.181 313 A CA 2.010 54.025 52.037 -0.036 0.000 0.623 313 A CB -1.662 17.304 19.000 -0.058 0.000 0.818 313 A HN 0.052 nan 8.150 nan 0.000 0.443 314 V N 1.116 120.984 119.914 -0.077 0.000 2.261 314 V HA -0.292 3.834 4.120 0.009 0.000 0.246 314 V C 2.573 178.591 176.094 -0.127 0.000 1.047 314 V CA 2.044 64.225 62.300 -0.198 0.000 1.015 314 V CB -1.127 30.492 31.823 -0.340 0.000 0.642 314 V HN 0.775 nan 8.190 nan 0.000 0.446 315 I N -0.837 119.793 120.570 0.100 0.000 2.208 315 I HA -0.206 3.969 4.170 0.009 0.000 0.245 315 I C 2.343 178.548 176.117 0.146 0.000 1.097 315 I CA 2.323 63.788 61.300 0.275 0.000 1.363 315 I CB -1.207 36.948 38.000 0.257 0.000 1.051 315 I HN 0.221 nan 8.210 nan 0.000 0.413 316 T N 1.149 115.760 114.554 0.096 0.000 2.684 316 T HA -0.156 4.199 4.350 0.009 0.000 0.267 316 T C 1.865 176.620 174.700 0.092 0.000 1.036 316 T CA 2.491 64.655 62.100 0.108 0.000 1.148 316 T CB -0.630 68.308 68.868 0.116 0.000 0.863 316 T HN 0.536 nan 8.240 nan 0.000 0.436 317 T N 1.278 115.856 114.554 0.040 0.000 2.684 317 T HA -0.179 4.176 4.350 0.009 0.000 0.267 317 T C 2.266 176.970 174.700 0.006 0.000 1.036 317 T CA 1.349 63.459 62.100 0.018 0.000 1.148 317 T CB -1.043 67.806 68.868 -0.033 0.000 0.863 317 T HN 0.569 nan 8.240 nan 0.000 0.436 318 C N 1.345 120.640 119.300 -0.008 0.000 2.398 318 C HA -0.081 4.385 4.460 0.009 0.000 0.276 318 C C 2.508 177.506 174.990 0.013 0.000 1.222 318 C CA 0.631 59.652 59.018 0.005 0.000 1.746 318 C CB -1.520 26.311 27.740 0.151 0.000 2.039 318 C HN 0.374 nan 8.230 nan 0.000 0.470 319 L N 1.529 122.783 121.223 0.053 0.000 2.072 319 L HA 0.102 4.448 4.340 0.009 0.000 0.205 319 L C 2.926 179.804 176.870 0.013 0.000 1.079 319 L CA 2.153 57.015 54.840 0.036 0.000 0.752 319 L CB -1.451 40.642 42.059 0.057 0.000 0.906 319 L HN 0.444 nan 8.230 nan 0.000 0.436 320 A N -0.716 122.124 122.820 0.034 0.000 1.908 320 A HA -0.167 4.159 4.320 0.009 0.000 0.218 320 A C 2.218 179.803 177.584 0.002 0.000 1.181 320 A CA 1.563 53.619 52.037 0.032 0.000 0.627 320 A CB -0.731 18.324 19.000 0.092 0.000 0.818 320 A HN 0.409 nan 8.150 nan 0.000 0.445 321 L N -0.909 120.303 121.223 -0.018 0.000 2.395 321 L HA -0.016 4.330 4.340 0.009 0.000 0.218 321 L C 2.626 179.442 176.870 -0.090 0.000 1.130 321 L CA 0.593 55.400 54.840 -0.054 0.000 0.826 321 L CB -0.649 41.356 42.059 -0.090 0.000 0.941 321 L HN 0.490 nan 8.230 nan 0.000 0.451 322 G N -0.165 108.590 108.800 -0.075 0.000 2.394 322 G HA2 -0.189 3.777 3.960 0.009 0.000 0.214 322 G HA3 -0.189 3.777 3.960 0.009 0.000 0.214 322 G C 1.583 176.453 174.900 -0.050 0.000 1.176 322 G CA 1.057 46.115 45.100 -0.070 0.000 0.786 322 G HN 0.227 nan 8.290 nan 0.000 0.533 323 T N 1.290 115.820 114.554 -0.039 0.000 2.708 323 T HA -0.146 4.209 4.350 0.009 0.000 0.266 323 T C 2.415 177.095 174.700 -0.034 0.000 1.037 323 T CA 1.633 63.709 62.100 -0.038 0.000 1.146 323 T CB -0.206 68.635 68.868 -0.045 0.000 0.865 323 T HN 0.594 nan 8.240 nan 0.000 0.435 324 R N 1.478 121.962 120.500 -0.027 0.000 2.096 324 R HA -0.077 4.269 4.340 0.009 0.000 0.240 324 R C 2.450 178.738 176.300 -0.019 0.000 1.139 324 R CA 1.774 57.864 56.100 -0.017 0.000 0.952 324 R CB -0.437 29.860 30.300 -0.004 0.000 0.854 324 R HN 0.224 nan 8.270 nan 0.000 0.436 325 R N 0.141 120.623 120.500 -0.030 0.000 2.091 325 R HA -0.035 4.310 4.340 0.009 0.000 0.238 325 R C 2.422 178.705 176.300 -0.027 0.000 1.136 325 R CA 2.229 58.311 56.100 -0.030 0.000 0.959 325 R CB -0.187 30.081 30.300 -0.054 0.000 0.856 325 R HN 0.349 nan 8.270 nan 0.000 0.437 326 M N -0.638 118.942 119.600 -0.034 0.000 2.229 326 M HA -0.107 4.378 4.480 0.009 0.000 0.264 326 M C 2.293 178.576 176.300 -0.028 0.000 1.063 326 M CA 1.516 56.796 55.300 -0.033 0.000 1.114 326 M CB -0.072 32.505 32.600 -0.038 0.000 1.387 326 M HN 0.306 nan 8.290 nan 0.000 0.420 327 A N 0.857 123.663 122.820 -0.024 0.000 1.877 327 A HA -0.179 4.147 4.320 0.009 0.000 0.216 327 A C 2.062 179.638 177.584 -0.013 0.000 1.186 327 A CA 1.530 53.556 52.037 -0.020 0.000 0.620 327 A CB -0.509 18.480 19.000 -0.018 0.000 0.822 327 A HN 0.383 nan 8.150 nan 0.000 0.443 328 K N 0.146 120.540 120.400 -0.009 0.000 2.160 328 K HA -0.165 4.161 4.320 0.009 0.000 0.206 328 K C 1.106 177.703 176.600 -0.005 0.000 1.047 328 K CA 1.567 57.853 56.287 -0.003 0.000 0.930 328 K CB -0.263 32.238 32.500 0.002 0.000 0.720 328 K HN 0.453 nan 8.250 nan 0.000 0.450 329 K N 0.816 121.209 120.400 -0.011 0.000 2.469 329 K HA 0.077 4.403 4.320 0.009 0.000 0.201 329 K C -0.291 176.298 176.600 -0.019 0.000 1.028 329 K CA -0.143 56.135 56.287 -0.015 0.000 1.170 329 K CB 0.184 32.671 32.500 -0.021 0.000 0.874 329 K HN 0.117 nan 8.250 nan 0.000 0.507 330 N N -0.642 118.048 118.700 -0.016 0.000 2.878 330 N HA -0.172 4.574 4.740 0.009 0.000 0.247 330 N C -0.776 174.720 175.510 -0.022 0.000 1.021 330 N CA 1.149 54.190 53.050 -0.015 0.000 0.873 330 N CB -1.289 37.192 38.487 -0.010 0.000 1.128 330 N HN 0.289 nan 8.380 nan 0.000 0.571 331 A N 0.793 123.596 122.820 -0.028 0.000 2.273 331 A HA 0.663 4.988 4.320 0.009 0.000 0.320 331 A C 0.410 177.975 177.584 -0.032 0.000 1.358 331 A CA -0.448 51.569 52.037 -0.034 0.000 0.910 331 A CB 0.320 19.295 19.000 -0.043 0.000 1.159 331 A HN 0.241 nan 8.150 nan 0.000 0.526 332 I N 3.437 123.989 120.570 -0.030 0.000 2.301 332 I HA 0.184 4.360 4.170 0.009 0.000 0.292 332 I C -0.461 175.633 176.117 -0.038 0.000 1.046 332 I CA -0.345 60.936 61.300 -0.032 0.000 1.282 332 I CB 1.412 39.395 38.000 -0.028 0.000 1.409 332 I HN 0.300 nan 8.210 nan 0.000 0.484 333 V N 7.731 127.619 119.914 -0.043 0.000 2.334 333 V HA 0.256 4.381 4.120 0.009 0.000 0.267 333 V C 1.389 177.448 176.094 -0.058 0.000 1.040 333 V CA -0.477 61.795 62.300 -0.047 0.000 0.866 333 V CB 0.752 32.548 31.823 -0.045 0.000 1.019 333 V HN 0.733 nan 8.190 nan 0.000 0.468 334 R N 1.705 122.171 120.500 -0.057 0.000 2.105 334 R HA -0.045 4.301 4.340 0.009 0.000 0.239 334 R C 0.898 177.146 176.300 -0.086 0.000 1.135 334 R CA 1.005 57.064 56.100 -0.069 0.000 0.967 334 R CB 0.115 30.380 30.300 -0.058 0.000 0.861 334 R HN 0.567 nan 8.270 nan 0.000 0.442 335 S N -0.518 115.138 115.700 -0.073 0.000 2.502 335 S HA 0.220 4.695 4.470 0.009 0.000 0.304 335 S C 0.519 175.083 174.600 -0.061 0.000 1.097 335 S CA -0.654 57.502 58.200 -0.074 0.000 1.045 335 S CB 1.641 64.808 63.200 -0.056 0.000 1.019 335 S HN 0.028 nan 8.310 nan 0.000 0.481 336 L N 6.303 127.487 121.223 -0.065 0.000 2.012 336 L HA 0.087 4.432 4.340 0.009 0.000 0.210 336 L C -1.005 175.859 176.870 -0.010 0.000 1.073 336 L CA 2.049 56.867 54.840 -0.036 0.000 0.748 336 L CB -1.023 41.024 42.059 -0.021 0.000 0.891 336 L HN 0.521 nan 8.230 nan 0.000 0.431 337 P HA -0.060 nan 4.420 nan 0.000 0.225 337 P C 1.723 179.017 177.300 -0.010 0.000 1.148 337 P CA 0.978 64.080 63.100 0.004 0.000 0.779 337 P CB 0.004 31.707 31.700 0.004 0.000 0.780 338 S N -0.024 115.663 115.700 -0.022 0.000 2.400 338 S HA -0.138 4.338 4.470 0.009 0.000 0.232 338 S C 1.870 176.451 174.600 -0.032 0.000 1.025 338 S CA 1.489 59.671 58.200 -0.030 0.000 0.993 338 S CB -1.322 61.857 63.200 -0.035 0.000 0.808 338 S HN 0.199 nan 8.310 nan 0.000 0.478 339 V N 0.408 120.309 119.914 -0.022 0.000 3.026 339 V HA -0.082 4.044 4.120 0.009 0.000 0.265 339 V C 1.894 177.976 176.094 -0.020 0.000 1.121 339 V CA 1.782 64.069 62.300 -0.021 0.000 1.142 339 V CB -0.385 31.430 31.823 -0.012 0.000 0.730 339 V HN 0.403 nan 8.190 nan 0.000 0.503 340 E N 0.819 121.003 120.200 -0.027 0.000 2.024 340 E HA -0.164 4.192 4.350 0.009 0.000 0.190 340 E C 2.277 178.797 176.600 -0.132 0.000 0.974 340 E CA 1.539 57.896 56.400 -0.072 0.000 0.810 340 E CB -0.283 29.386 29.700 -0.052 0.000 0.775 340 E HN 0.665 nan 8.360 nan 0.000 0.453 341 T N 1.110 115.604 114.554 -0.099 0.000 2.737 341 T HA -0.197 4.158 4.350 0.009 0.000 0.269 341 T C 2.081 176.733 174.700 -0.081 0.000 1.040 341 T CA 1.395 63.439 62.100 -0.093 0.000 1.142 341 T CB -0.310 68.521 68.868 -0.061 0.000 0.861 341 T HN 0.086 nan 8.240 nan 0.000 0.456 342 L N 1.407 122.591 121.223 -0.066 0.000 2.013 342 L HA 0.075 4.421 4.340 0.009 0.000 0.212 342 L C 2.770 179.602 176.870 -0.064 0.000 1.073 342 L CA 2.323 57.129 54.840 -0.057 0.000 0.753 342 L CB -1.364 40.665 42.059 -0.049 0.000 0.890 342 L HN 0.458 nan 8.230 nan 0.000 0.432 343 G N -2.214 106.540 108.800 -0.077 0.000 2.448 343 G HA2 -0.249 3.717 3.960 0.009 0.000 0.219 343 G HA3 -0.249 3.717 3.960 0.009 0.000 0.219 343 G C 1.460 176.307 174.900 -0.090 0.000 1.127 343 G CA 0.991 46.045 45.100 -0.076 0.000 0.766 343 G HN 0.537 nan 8.290 nan 0.000 0.552 344 C N 0.809 120.043 119.300 -0.111 0.000 2.673 344 C HA 0.196 4.662 4.460 0.009 0.000 0.264 344 C C 1.378 176.337 174.990 -0.052 0.000 1.304 344 C CA -0.514 58.446 59.018 -0.096 0.000 1.727 344 C CB -0.864 26.804 27.740 -0.121 0.000 1.932 344 C HN 0.308 nan 8.230 nan 0.000 0.563 345 T N 2.297 116.825 114.554 -0.044 0.000 2.656 345 T HA -0.028 4.328 4.350 0.009 0.000 0.258 345 T C 1.109 175.805 174.700 -0.007 0.000 1.020 345 T CA 0.952 63.038 62.100 -0.023 0.000 1.191 345 T CB 0.212 69.065 68.868 -0.026 0.000 1.004 345 T HN 0.727 nan 8.240 nan 0.000 0.498 346 S N 1.505 117.210 115.700 0.008 0.000 2.539 346 S HA 0.391 4.867 4.470 0.009 0.000 0.221 346 S C 0.301 174.921 174.600 0.035 0.000 0.987 346 S CA -0.501 57.711 58.200 0.020 0.000 0.929 346 S CB 0.428 63.643 63.200 0.025 0.000 0.832 346 S HN 0.447 nan 8.310 nan 0.000 0.492 347 V N 2.751 122.689 119.914 0.040 0.000 2.777 347 V HA 0.457 4.583 4.120 0.009 0.000 0.306 347 V C -1.436 174.694 176.094 0.061 0.000 1.112 347 V CA -0.809 61.526 62.300 0.057 0.000 0.917 347 V CB 2.031 33.896 31.823 0.070 0.000 1.018 347 V HN 0.341 nan 8.190 nan 0.000 0.426 348 I N 3.254 123.875 120.570 0.086 0.000 2.382 348 I HA 0.426 4.601 4.170 0.009 0.000 0.286 348 I C -0.258 175.930 176.117 0.118 0.000 1.002 348 I CA -0.240 61.128 61.300 0.113 0.000 1.135 348 I CB 1.405 39.521 38.000 0.193 0.000 1.288 348 I HN 0.544 nan 8.210 nan 0.000 0.448 349 C N 4.102 123.455 119.300 0.090 0.000 2.255 349 C HA 0.595 5.060 4.460 0.009 0.000 0.326 349 C C 0.928 175.964 174.990 0.076 0.000 1.258 349 C CA -0.596 58.466 59.018 0.073 0.000 1.676 349 C CB 0.260 28.025 27.740 0.042 0.000 2.314 349 C HN 0.835 nan 8.230 nan 0.000 0.509 350 S N 2.287 118.028 115.700 0.068 0.000 2.502 350 S HA 0.352 4.827 4.470 0.009 0.000 0.304 350 S C -0.614 173.996 174.600 0.016 0.000 1.097 350 S CA -0.500 57.742 58.200 0.071 0.000 1.045 350 S CB 0.546 63.825 63.200 0.131 0.000 1.019 350 S HN 0.765 nan 8.310 nan 0.000 0.481 351 D N 3.414 123.829 120.400 0.026 0.000 2.443 351 D HA 0.040 4.686 4.640 0.009 0.000 0.239 351 D C 0.897 177.193 176.300 -0.008 0.000 1.136 351 D CA 0.046 54.053 54.000 0.012 0.000 0.879 351 D CB 0.974 41.786 40.800 0.019 0.000 1.195 351 D HN 0.580 nan 8.370 nan 0.000 0.443 352 K N 1.107 121.497 120.400 -0.018 0.000 1.975 352 K HA -0.069 4.257 4.320 0.009 0.000 0.210 352 K C 0.367 176.957 176.600 -0.016 0.000 1.041 352 K CA 0.707 56.972 56.287 -0.036 0.000 0.942 352 K CB -0.107 32.374 32.500 -0.032 0.000 0.729 352 K HN 0.346 nan 8.250 nan 0.000 0.439 353 T N 0.639 115.193 114.554 -0.001 0.000 2.905 353 T HA 0.096 4.452 4.350 0.009 0.000 0.299 353 T C 0.671 175.381 174.700 0.015 0.000 1.024 353 T CA 0.861 62.966 62.100 0.008 0.000 1.151 353 T CB 0.453 69.328 68.868 0.013 0.000 0.987 353 T HN 0.616 nan 8.240 nan 0.000 0.535 354 G N 3.051 111.863 108.800 0.020 0.000 2.200 354 G HA2 -0.321 3.645 3.960 0.009 0.000 0.267 354 G HA3 -0.321 3.645 3.960 0.009 0.000 0.267 354 G C 0.707 175.630 174.900 0.038 0.000 0.993 354 G CA 0.922 46.040 45.100 0.029 0.000 0.701 354 G HN 0.793 nan 8.290 nan 0.000 0.524 355 T N -1.503 113.073 114.554 0.037 0.000 3.313 355 T HA 0.240 4.595 4.350 0.009 0.000 0.266 355 T C 1.767 176.510 174.700 0.071 0.000 0.987 355 T CA 0.625 62.767 62.100 0.070 0.000 1.086 355 T CB -0.111 68.807 68.868 0.083 0.000 1.159 355 T HN 0.043 nan 8.240 nan 0.000 0.450 356 L N 2.191 123.403 121.223 -0.017 0.000 2.307 356 L HA 0.331 4.676 4.340 0.009 0.000 0.211 356 L C 1.465 178.304 176.870 -0.052 0.000 1.099 356 L CA 1.191 55.969 54.840 -0.103 0.000 0.816 356 L CB -0.663 41.268 42.059 -0.213 0.000 0.952 356 L HN 0.497 nan 8.230 nan 0.000 0.455 357 T N -5.474 109.064 114.554 -0.026 0.000 2.905 357 T HA 0.330 4.686 4.350 0.009 0.000 0.283 357 T C 1.058 175.763 174.700 0.007 0.000 1.031 357 T CA 0.237 62.329 62.100 -0.014 0.000 1.002 357 T CB 1.396 70.253 68.868 -0.018 0.000 1.200 357 T HN 0.113 nan 8.240 nan 0.000 0.560 358 T N -1.872 112.686 114.554 0.007 0.000 3.081 358 T HA 0.184 4.539 4.350 0.009 0.000 0.250 358 T C 0.998 175.716 174.700 0.030 0.000 1.100 358 T CA 0.425 62.537 62.100 0.019 0.000 1.038 358 T CB -0.854 68.022 68.868 0.012 0.000 0.962 358 T HN 0.897 nan 8.240 nan 0.000 0.516 359 N N 1.804 120.519 118.700 0.025 0.000 2.721 359 N HA -0.159 4.586 4.740 0.009 0.000 0.249 359 N C -1.007 174.544 175.510 0.068 0.000 1.072 359 N CA 0.320 53.394 53.050 0.040 0.000 0.710 359 N CB -0.466 38.047 38.487 0.044 0.000 0.993 359 N HN 0.632 nan 8.380 nan 0.000 0.547 360 Q N 0.866 120.686 119.800 0.033 0.000 2.644 360 Q HA 0.224 4.570 4.340 0.009 0.000 0.245 360 Q C -0.233 175.700 176.000 -0.112 0.000 1.064 360 Q CA -0.485 55.319 55.803 0.001 0.000 0.860 360 Q CB 0.876 29.590 28.738 -0.039 0.000 1.145 360 Q HN 0.265 nan 8.270 nan 0.000 0.515 361 M N 2.325 121.893 119.600 -0.053 0.000 2.248 361 M HA -0.004 4.481 4.480 0.009 0.000 0.343 361 M C 0.067 176.243 176.300 -0.208 0.000 1.243 361 M CA 0.758 56.010 55.300 -0.080 0.000 1.025 361 M CB 0.363 32.968 32.600 0.009 0.000 1.759 361 M HN 0.516 nan 8.290 nan 0.000 0.452 362 S N 2.232 117.830 115.700 -0.170 0.000 2.548 362 S HA 0.697 5.172 4.470 0.009 0.000 0.276 362 S C -0.890 173.636 174.600 -0.124 0.000 1.129 362 S CA -1.247 56.845 58.200 -0.180 0.000 0.931 362 S CB 1.035 64.105 63.200 -0.216 0.000 1.068 362 S HN 0.382 nan 8.310 nan 0.000 0.480 363 V N 2.749 122.598 119.914 -0.108 0.000 2.479 363 V HA 0.091 4.217 4.120 0.009 0.000 0.281 363 V C 0.882 176.901 176.094 -0.124 0.000 1.031 363 V CA -0.269 61.970 62.300 -0.101 0.000 1.038 363 V CB -0.161 31.613 31.823 -0.082 0.000 0.981 363 V HN 1.200 nan 8.190 nan 0.000 0.478 364 C N 3.823 123.028 119.300 -0.158 0.000 2.609 364 C HA 0.335 4.800 4.460 0.009 0.000 0.305 364 C C 0.951 175.801 174.990 -0.234 0.000 1.319 364 C CA -0.295 58.611 59.018 -0.186 0.000 1.793 364 C CB -0.521 27.090 27.740 -0.216 0.000 2.260 364 C HN 0.830 nan 8.230 nan 0.000 0.535 365 K N 0.585 120.784 120.400 -0.335 0.000 2.502 365 K HA 0.742 5.068 4.320 0.009 0.000 0.257 365 K C -0.923 175.543 176.600 -0.223 0.000 0.938 365 K CA -0.107 55.891 56.287 -0.482 0.000 0.819 365 K CB 1.897 33.644 32.500 -1.256 0.000 1.333 365 K HN 0.343 nan 8.250 nan 0.000 0.434 366 M N 0.854 120.557 119.600 0.172 0.000 2.490 366 M HA 0.611 5.097 4.480 0.009 0.000 0.286 366 M C -1.602 175.077 176.300 0.632 0.000 1.185 366 M CA -0.977 54.546 55.300 0.373 0.000 0.912 366 M CB 1.546 34.215 32.600 0.116 0.000 1.744 366 M HN 0.557 nan 8.290 nan 0.000 0.494 367 F N 1.474 121.691 119.950 0.447 0.000 2.643 367 F HA 0.980 5.513 4.527 0.009 0.000 0.314 367 F C -1.571 174.364 175.800 0.224 0.000 1.096 367 F CA -1.068 57.135 58.000 0.338 0.000 0.953 367 F CB 1.518 40.648 39.000 0.217 0.000 1.345 367 F HN 0.864 nan 8.300 nan 0.000 0.468 368 I N -0.641 120.285 120.570 0.592 0.000 3.279 368 I HA 0.632 4.807 4.170 0.009 0.000 0.315 368 I C -1.591 174.791 176.117 0.442 0.000 1.225 368 I CA -1.376 60.173 61.300 0.414 0.000 0.947 368 I CB 1.993 40.119 38.000 0.210 0.000 1.293 368 I HN 0.623 nan 8.210 nan 0.000 0.468 369 I N 2.497 123.287 120.570 0.366 0.000 2.496 369 I HA 0.133 4.309 4.170 0.009 0.000 0.285 369 I C 0.689 176.925 176.117 0.197 0.000 1.080 369 I CA 0.693 62.160 61.300 0.278 0.000 1.404 369 I CB 0.752 38.917 38.000 0.274 0.000 1.403 369 I HN 0.769 nan 8.210 nan 0.000 0.539 370 D N 4.550 125.035 120.400 0.140 0.000 2.355 370 D HA 0.045 4.691 4.640 0.009 0.000 0.233 370 D C 0.035 176.399 176.300 0.107 0.000 0.997 370 D CA 1.025 55.098 54.000 0.123 0.000 0.920 370 D CB 0.400 41.249 40.800 0.081 0.000 1.063 370 D HN 0.480 nan 8.370 nan 0.000 0.465 371 K N -1.047 119.403 120.400 0.084 0.000 2.551 371 K HA 0.598 4.924 4.320 0.009 0.000 0.269 371 K C -1.850 174.794 176.600 0.073 0.000 0.949 371 K CA -0.881 55.453 56.287 0.079 0.000 0.849 371 K CB 2.338 34.881 32.500 0.072 0.000 1.411 371 K HN -0.180 nan 8.250 nan 0.000 0.432 372 V N 2.312 122.268 119.914 0.070 0.000 2.340 372 V HA 0.331 4.456 4.120 0.009 0.000 0.277 372 V C -1.503 174.621 176.094 0.051 0.000 1.017 372 V CA -0.422 61.912 62.300 0.057 0.000 0.820 372 V CB 1.039 32.894 31.823 0.053 0.000 1.028 372 V HN 0.921 nan 8.190 nan 0.000 0.436 373 D N 3.857 124.295 120.400 0.063 0.000 2.440 373 D HA 0.610 5.255 4.640 0.009 0.000 0.239 373 D C 0.931 177.234 176.300 0.004 0.000 1.084 373 D CA 1.036 55.071 54.000 0.058 0.000 0.843 373 D CB 1.562 42.423 40.800 0.103 0.000 1.097 373 D HN 0.674 nan 8.370 nan 0.000 0.531 374 G N 4.718 113.489 108.800 -0.049 0.000 2.672 374 G HA2 -0.397 3.569 3.960 0.009 0.000 0.332 374 G HA3 -0.397 3.569 3.960 0.009 0.000 0.332 374 G C 0.637 175.390 174.900 -0.246 0.000 1.213 374 G CA 0.808 45.823 45.100 -0.142 0.000 0.980 374 G HN 0.598 nan 8.290 nan 0.000 0.548 375 D N 0.848 120.927 120.400 -0.536 0.000 2.368 375 D HA 0.447 5.093 4.640 0.009 0.000 0.218 375 D C 0.096 175.964 176.300 -0.719 0.000 1.112 375 D CA 0.069 53.695 54.000 -0.623 0.000 0.834 375 D CB 0.098 40.500 40.800 -0.664 0.000 0.953 375 D HN 0.262 nan 8.370 nan 0.000 0.505 376 F N 0.779 120.717 119.950 -0.020 0.000 2.520 376 F HA 0.504 5.037 4.527 0.009 0.000 0.322 376 F C -0.001 175.784 175.800 -0.025 0.000 1.103 376 F CA -1.456 56.528 58.000 -0.026 0.000 0.926 376 F CB 1.531 40.517 39.000 -0.023 0.000 1.154 376 F HN -0.100 nan 8.300 nan 0.000 0.453 377 C N 1.875 121.257 119.300 0.137 0.000 2.686 377 C HA 0.862 5.328 4.460 0.009 0.000 0.318 377 C C -0.541 174.461 174.990 0.020 0.000 1.160 377 C CA -0.464 58.590 59.018 0.061 0.000 1.396 377 C CB 0.681 28.433 27.740 0.020 0.000 1.924 377 C HN 0.970 nan 8.230 nan 0.000 0.471 378 S N 4.687 120.396 115.700 0.016 0.000 2.638 378 S HA 0.882 5.357 4.470 0.009 0.000 0.298 378 S C -0.782 173.801 174.600 -0.028 0.000 1.111 378 S CA -0.753 57.434 58.200 -0.022 0.000 1.027 378 S CB 1.233 64.430 63.200 -0.006 0.000 1.064 378 S HN 0.920 nan 8.310 nan 0.000 0.525 379 L N 1.064 122.238 121.223 -0.081 0.000 2.323 379 L HA 0.576 4.921 4.340 0.009 0.000 0.265 379 L C -0.468 176.376 176.870 -0.043 0.000 1.012 379 L CA -1.113 53.689 54.840 -0.064 0.000 0.820 379 L CB 1.351 43.240 42.059 -0.283 0.000 1.334 379 L HN 0.571 nan 8.230 nan 0.000 0.427 380 N N 1.539 120.260 118.700 0.036 0.000 2.437 380 N HA 0.319 5.065 4.740 0.009 0.000 0.259 380 N C -1.086 174.335 175.510 -0.148 0.000 0.983 380 N CA -0.272 52.714 53.050 -0.106 0.000 0.937 380 N CB 1.420 39.913 38.487 0.009 0.000 1.122 380 N HN 0.568 nan 8.380 nan 0.000 0.499 381 E N 1.520 121.467 120.200 -0.421 0.000 2.227 381 E HA 0.545 4.901 4.350 0.009 0.000 0.268 381 E C -0.943 175.295 176.600 -0.602 0.000 0.907 381 E CA -0.556 55.743 56.400 -0.168 0.000 0.786 381 E CB 1.730 31.471 29.700 0.070 0.000 1.191 381 E HN 0.314 nan 8.360 nan 0.000 0.411 382 F N 0.071 120.073 119.950 0.086 0.000 2.591 382 F HA 0.320 4.853 4.527 0.009 0.000 0.309 382 F C -0.012 175.763 175.800 -0.041 0.000 1.098 382 F CA -0.802 57.189 58.000 -0.016 0.000 0.937 382 F CB 2.073 41.033 39.000 -0.067 0.000 1.250 382 F HN 0.231 nan 8.300 nan 0.000 0.447 383 S N 3.142 118.902 115.700 0.099 0.000 2.687 383 S HA 0.771 5.247 4.470 0.009 0.000 0.283 383 S C -0.791 173.813 174.600 0.005 0.000 1.170 383 S CA -0.686 57.511 58.200 -0.005 0.000 1.008 383 S CB 1.367 64.545 63.200 -0.037 0.000 1.026 383 S HN 0.338 nan 8.310 nan 0.000 0.541 384 I N 1.810 122.350 120.570 -0.050 0.000 2.533 384 I HA 0.370 4.546 4.170 0.009 0.000 0.290 384 I C 0.082 176.157 176.117 -0.070 0.000 1.056 384 I CA -0.657 60.609 61.300 -0.057 0.000 1.057 384 I CB 1.349 39.304 38.000 -0.076 0.000 1.240 384 I HN 0.673 nan 8.210 nan 0.000 0.423 385 T N 0.484 115.002 114.554 -0.061 0.000 2.929 385 T HA 0.786 5.141 4.350 0.009 0.000 0.284 385 T C 0.309 174.966 174.700 -0.071 0.000 1.014 385 T CA -0.413 61.650 62.100 -0.061 0.000 1.051 385 T CB 1.804 70.644 68.868 -0.045 0.000 1.028 385 T HN 1.443 nan 8.240 nan 0.000 0.485 386 G N 0.926 109.684 108.800 -0.072 0.000 3.172 386 G HA2 0.005 3.971 3.960 0.009 0.000 0.686 386 G HA3 0.005 3.971 3.960 0.009 0.000 0.686 386 G C 0.295 175.133 174.900 -0.104 0.000 1.009 386 G CA -0.119 44.934 45.100 -0.078 0.000 0.787 386 G HN 1.760 nan 8.290 nan 0.000 0.559 387 S N 0.565 116.200 115.700 -0.107 0.000 2.540 387 S HA 0.433 4.908 4.470 0.009 0.000 0.218 387 S C 1.162 175.640 174.600 -0.204 0.000 0.977 387 S CA 1.194 59.309 58.200 -0.142 0.000 0.918 387 S CB 0.758 63.892 63.200 -0.111 0.000 0.806 387 S HN 1.195 nan 8.310 nan 0.000 0.496 388 T N -0.038 114.414 114.554 -0.170 0.000 2.833 388 T HA 0.427 4.782 4.350 0.009 0.000 0.292 388 T C 0.121 174.664 174.700 -0.261 0.000 1.031 388 T CA -0.290 61.707 62.100 -0.171 0.000 0.937 388 T CB 0.322 69.169 68.868 -0.034 0.000 1.256 388 T HN 0.260 nan 8.240 nan 0.000 0.551 389 Y N 0.354 120.645 120.300 -0.014 0.000 2.482 389 Y HA 0.480 5.036 4.550 0.009 0.000 0.270 389 Y C 1.501 177.295 175.900 -0.177 0.000 1.152 389 Y CA -0.146 57.926 58.100 -0.047 0.000 1.292 389 Y CB -0.409 38.065 38.460 0.023 0.000 1.070 389 Y HN 0.588 nan 8.280 nan 0.000 0.528 390 A N 2.594 125.364 122.820 -0.084 0.000 2.565 390 A HA 0.056 4.382 4.320 0.009 0.000 0.237 390 A C -1.825 175.524 177.584 -0.392 0.000 1.053 390 A CA -0.899 50.886 52.037 -0.420 0.000 0.755 390 A CB -0.307 18.602 19.000 -0.152 0.000 0.980 390 A HN 0.113 nan 8.150 nan 0.000 0.506 391 P HA 0.123 nan 4.420 nan 0.000 0.238 391 P C -0.677 176.497 177.300 -0.211 0.000 1.714 391 P CA 0.543 63.459 63.100 -0.307 0.000 0.908 391 P CB -0.367 31.150 31.700 -0.306 0.000 1.893 392 E N 0.522 120.617 120.200 -0.175 0.000 2.235 392 E HA 0.612 4.968 4.350 0.009 0.000 0.252 392 E C 0.194 176.743 176.600 -0.086 0.000 0.886 392 E CA -0.550 55.783 56.400 -0.112 0.000 0.767 392 E CB 1.451 31.096 29.700 -0.091 0.000 1.205 392 E HN 0.303 nan 8.360 nan 0.000 0.421 393 G N 2.519 111.276 108.800 -0.071 0.000 2.359 393 G HA2 0.130 4.096 3.960 0.009 0.000 0.293 393 G HA3 0.130 4.096 3.960 0.009 0.000 0.293 393 G C -1.663 173.205 174.900 -0.053 0.000 1.300 393 G CA -0.961 44.104 45.100 -0.060 0.000 0.888 393 G HN 0.372 nan 8.290 nan 0.000 0.541 394 E N -0.846 119.328 120.200 -0.043 0.000 2.317 394 E HA 0.614 4.969 4.350 0.009 0.000 0.270 394 E C -0.685 175.899 176.600 -0.027 0.000 0.885 394 E CA -1.090 55.291 56.400 -0.032 0.000 0.760 394 E CB 2.855 32.546 29.700 -0.015 0.000 1.227 394 E HN 0.388 nan 8.360 nan 0.000 0.434 395 V N 2.579 122.477 119.914 -0.028 0.000 2.637 395 V HA 0.157 4.283 4.120 0.009 0.000 0.296 395 V C -0.164 175.962 176.094 0.053 0.000 1.046 395 V CA -0.059 62.236 62.300 -0.008 0.000 1.066 395 V CB -0.142 31.640 31.823 -0.069 0.000 0.968 395 V HN 0.492 nan 8.190 nan 0.000 0.483 396 L N 2.769 124.055 121.223 0.104 0.000 2.415 396 L HA 0.787 5.133 4.340 0.009 0.000 0.256 396 L C -0.789 176.174 176.870 0.156 0.000 1.010 396 L CA -1.313 53.597 54.840 0.117 0.000 0.826 396 L CB 1.782 43.872 42.059 0.052 0.000 1.405 396 L HN 0.512 nan 8.230 nan 0.000 0.410 397 K N 1.013 121.474 120.400 0.102 0.000 2.378 397 K HA 0.520 4.846 4.320 0.009 0.000 0.252 397 K C -0.590 175.993 176.600 -0.027 0.000 0.931 397 K CA -0.511 55.758 56.287 -0.030 0.000 0.794 397 K CB 0.976 33.437 32.500 -0.065 0.000 1.181 397 K HN 0.759 nan 8.250 nan 0.000 0.425 398 N N 3.954 122.614 118.700 -0.066 0.000 2.716 398 N HA -0.215 4.531 4.740 0.009 0.000 0.250 398 N C -1.021 174.480 175.510 -0.014 0.000 1.033 398 N CA 1.585 54.612 53.050 -0.037 0.000 0.727 398 N CB -0.958 37.513 38.487 -0.026 0.000 0.950 398 N HN 0.966 nan 8.380 nan 0.000 0.541 399 D N -2.401 117.992 120.400 -0.012 0.000 3.059 399 D HA -0.195 4.451 4.640 0.009 0.000 0.213 399 D C -0.253 176.052 176.300 0.007 0.000 1.144 399 D CA 1.331 55.328 54.000 -0.004 0.000 0.975 399 D CB -0.626 40.169 40.800 -0.008 0.000 1.125 399 D HN 0.611 nan 8.370 nan 0.000 0.412 400 K N 0.692 121.104 120.400 0.019 0.000 2.345 400 K HA 0.369 4.695 4.320 0.009 0.000 0.255 400 K C -2.590 174.040 176.600 0.051 0.000 0.934 400 K CA -1.677 54.628 56.287 0.030 0.000 0.801 400 K CB 2.598 35.116 32.500 0.030 0.000 1.137 400 K HN -0.181 nan 8.250 nan 0.000 0.424 401 P HA -0.059 nan 4.420 nan 0.000 0.261 401 P C -0.627 176.723 177.300 0.084 0.000 1.173 401 P CA 0.217 63.349 63.100 0.053 0.000 0.760 401 P CB 0.187 31.906 31.700 0.032 0.000 0.783 402 I N -0.108 120.532 120.570 0.116 0.000 3.239 402 I HA 0.679 4.855 4.170 0.009 0.000 0.314 402 I C -0.357 175.841 176.117 0.135 0.000 1.126 402 I CA -1.495 59.908 61.300 0.172 0.000 0.973 402 I CB 1.897 40.094 38.000 0.328 0.000 1.252 402 I HN 0.023 nan 8.210 nan 0.000 0.463 403 R N 1.454 122.049 120.500 0.158 0.000 2.275 403 R HA 0.437 4.783 4.340 0.009 0.000 0.326 403 R C -0.008 176.361 176.300 0.115 0.000 0.973 403 R CA -0.095 56.053 56.100 0.081 0.000 0.854 403 R CB 1.372 31.691 30.300 0.032 0.000 1.156 403 R HN 0.981 nan 8.270 nan 0.000 0.487 404 S N 2.345 118.066 115.700 0.034 0.000 2.383 404 S HA -0.142 4.333 4.470 0.009 0.000 0.229 404 S C 1.750 176.355 174.600 0.007 0.000 1.030 404 S CA 1.542 59.741 58.200 -0.001 0.000 1.002 404 S CB -0.014 63.086 63.200 -0.168 0.000 0.829 404 S HN 0.834 nan 8.310 nan 0.000 0.467 405 G N 0.717 109.469 108.800 -0.080 0.000 2.535 405 G HA2 -0.173 3.793 3.960 0.009 0.000 0.218 405 G HA3 -0.173 3.793 3.960 0.009 0.000 0.218 405 G C 1.186 176.013 174.900 -0.121 0.000 1.122 405 G CA 0.249 45.261 45.100 -0.146 0.000 0.769 405 G HN 0.503 nan 8.290 nan 0.000 0.549 406 Q N -0.956 118.767 119.800 -0.129 0.000 2.432 406 Q HA 0.136 4.482 4.340 0.009 0.000 0.205 406 Q C -0.350 175.343 176.000 -0.511 0.000 0.945 406 Q CA 0.093 55.709 55.803 -0.313 0.000 0.924 406 Q CB 0.163 28.655 28.738 -0.410 0.000 1.016 406 Q HN 0.504 nan 8.270 nan 0.000 0.503 407 F N 0.738 120.659 119.950 -0.048 0.000 2.308 407 F HA 0.170 4.703 4.527 0.010 0.000 0.370 407 F C 0.737 176.498 175.800 -0.064 0.000 1.100 407 F CA -0.940 57.047 58.000 -0.022 0.000 1.108 407 F CB 0.997 39.999 39.000 0.003 0.000 1.293 407 F HN -0.120 nan 8.300 nan 0.000 0.478 408 D N 2.578 123.017 120.400 0.065 0.000 2.191 408 D HA -0.238 4.408 4.640 0.009 0.000 0.190 408 D C 2.251 178.565 176.300 0.022 0.000 1.007 408 D CA 1.971 55.985 54.000 0.024 0.000 0.865 408 D CB -0.177 40.642 40.800 0.032 0.000 0.929 408 D HN 0.762 nan 8.370 nan 0.000 0.447 409 G N 0.512 109.356 108.800 0.074 0.000 2.408 409 G HA2 -0.150 3.816 3.960 0.009 0.000 0.217 409 G HA3 -0.150 3.816 3.960 0.009 0.000 0.217 409 G C 1.890 176.772 174.900 -0.031 0.000 1.150 409 G CA 0.090 45.212 45.100 0.037 0.000 0.776 409 G HN 0.247 nan 8.290 nan 0.000 0.542 410 L N 0.379 121.581 121.223 -0.034 0.000 2.083 410 L HA -0.098 4.248 4.340 0.009 0.000 0.209 410 L C 2.980 179.742 176.870 -0.180 0.000 1.083 410 L CA 0.386 55.133 54.840 -0.155 0.000 0.752 410 L CB -0.471 41.438 42.059 -0.249 0.000 0.899 410 L HN 0.088 nan 8.230 nan 0.000 0.433 411 V N 0.162 119.972 119.914 -0.173 0.000 2.252 411 V HA -0.362 3.764 4.120 0.009 0.000 0.249 411 V C 2.463 178.434 176.094 -0.206 0.000 1.056 411 V CA 2.359 64.499 62.300 -0.266 0.000 1.022 411 V CB -0.515 31.138 31.823 -0.283 0.000 0.641 411 V HN 0.523 nan 8.190 nan 0.000 0.445 412 E N -0.346 119.771 120.200 -0.139 0.000 2.106 412 E HA -0.198 4.157 4.350 0.009 0.000 0.192 412 E C 2.214 178.699 176.600 -0.192 0.000 0.984 412 E CA 0.800 57.116 56.400 -0.141 0.000 0.806 412 E CB -0.154 29.502 29.700 -0.073 0.000 0.750 412 E HN 0.402 nan 8.360 nan 0.000 0.458 413 L N 0.869 121.987 121.223 -0.174 0.000 2.043 413 L HA -0.181 4.164 4.340 0.009 0.000 0.212 413 L C 2.130 178.882 176.870 -0.196 0.000 1.075 413 L CA 2.493 57.221 54.840 -0.188 0.000 0.752 413 L CB -1.335 40.617 42.059 -0.179 0.000 0.891 413 L HN 0.242 nan 8.230 nan 0.000 0.432 414 A N -1.414 121.286 122.820 -0.199 0.000 1.903 414 A HA -0.093 4.232 4.320 0.009 0.000 0.213 414 A C 2.146 179.618 177.584 -0.187 0.000 1.185 414 A CA 1.502 53.431 52.037 -0.181 0.000 0.628 414 A CB -0.850 18.040 19.000 -0.184 0.000 0.830 414 A HN 0.478 nan 8.150 nan 0.000 0.446 415 T N 0.998 115.419 114.554 -0.221 0.000 2.597 415 T HA -0.225 4.131 4.350 0.009 0.000 0.267 415 T C 1.795 176.219 174.700 -0.460 0.000 1.053 415 T CA 1.941 63.861 62.100 -0.300 0.000 1.165 415 T CB -0.560 68.097 68.868 -0.352 0.000 0.863 415 T HN 0.418 nan 8.240 nan 0.000 0.427 416 I N 0.668 120.928 120.570 -0.517 0.000 2.127 416 I HA -0.221 3.955 4.170 0.009 0.000 0.241 416 I C 2.748 178.730 176.117 -0.226 0.000 1.075 416 I CA 1.073 62.108 61.300 -0.442 0.000 1.334 416 I CB -0.537 37.301 38.000 -0.270 0.000 1.040 416 I HN 0.344 nan 8.210 nan 0.000 0.405 417 C N 0.623 119.818 119.300 -0.176 0.000 2.419 417 C HA -0.084 4.381 4.460 0.009 0.000 0.281 417 C C 3.031 177.967 174.990 -0.091 0.000 1.336 417 C CA 0.923 59.875 59.018 -0.110 0.000 1.770 417 C CB -1.315 26.363 27.740 -0.103 0.000 1.929 417 C HN 0.606 nan 8.230 nan 0.000 0.509 418 A N -0.341 122.412 122.820 -0.112 0.000 1.943 418 A HA 0.162 4.488 4.320 0.009 0.000 0.213 418 A C 2.040 179.585 177.584 -0.065 0.000 1.181 418 A CA 0.839 52.831 52.037 -0.076 0.000 0.653 418 A CB -0.291 18.668 19.000 -0.067 0.000 0.833 418 A HN 0.546 nan 8.150 nan 0.000 0.451 419 L N -1.325 119.836 121.223 -0.104 0.000 2.127 419 L HA -0.009 4.337 4.340 0.009 0.000 0.203 419 L C 1.506 178.380 176.870 0.007 0.000 1.080 419 L CA 0.387 55.200 54.840 -0.045 0.000 0.768 419 L CB -0.227 41.798 42.059 -0.056 0.000 0.924 419 L HN 0.418 nan 8.230 nan 0.000 0.444 420 C N 2.517 121.814 119.300 -0.004 0.000 3.247 420 C HA 0.267 4.733 4.460 0.009 0.000 0.573 420 C C 0.216 175.218 174.990 0.021 0.000 1.106 420 C CA -0.327 58.715 59.018 0.040 0.000 1.209 420 C CB -2.376 25.401 27.740 0.062 0.000 1.460 420 C HN 0.351 nan 8.230 nan 0.000 0.634 421 N N 1.261 119.971 118.700 0.017 0.000 2.537 421 N HA 0.202 4.947 4.740 0.009 0.000 0.281 421 N C -0.465 175.054 175.510 0.015 0.000 1.097 421 N CA -0.211 52.844 53.050 0.009 0.000 0.964 421 N CB 1.420 39.902 38.487 -0.008 0.000 1.588 421 N HN 0.342 nan 8.380 nan 0.000 0.511 422 D N 0.491 120.901 120.400 0.017 0.000 2.349 422 D HA 0.173 4.819 4.640 0.009 0.000 0.214 422 D C 0.069 176.374 176.300 0.008 0.000 1.063 422 D CA 0.423 54.434 54.000 0.019 0.000 0.847 422 D CB 0.694 41.511 40.800 0.028 0.000 0.933 422 D HN 0.313 nan 8.370 nan 0.000 0.513 423 S N -0.530 115.171 115.700 0.001 0.000 2.718 423 S HA 0.694 5.169 4.470 0.009 0.000 0.292 423 S C 0.413 175.009 174.600 -0.006 0.000 1.125 423 S CA -0.499 57.697 58.200 -0.008 0.000 1.013 423 S CB 1.819 65.010 63.200 -0.016 0.000 1.192 423 S HN 0.290 nan 8.310 nan 0.000 0.535 424 S N -0.750 114.942 115.700 -0.013 0.000 2.714 424 S HA 0.696 5.172 4.470 0.009 0.000 0.280 424 S C -2.163 172.431 174.600 -0.010 0.000 1.200 424 S CA -0.693 57.505 58.200 -0.003 0.000 0.900 424 S CB 0.654 63.858 63.200 0.008 0.000 1.235 424 S HN 0.466 nan 8.310 nan 0.000 0.512 425 L N 1.104 122.339 121.223 0.020 0.000 2.401 425 L HA 0.861 5.207 4.340 0.009 0.000 0.266 425 L C -1.839 175.096 176.870 0.110 0.000 0.991 425 L CA -0.002 54.867 54.840 0.049 0.000 0.818 425 L CB 1.924 44.023 42.059 0.066 0.000 1.321 425 L HN 1.022 nan 8.230 nan 0.000 0.413 426 D N 2.042 122.528 120.400 0.144 0.000 2.863 426 D HA 0.306 4.952 4.640 0.009 0.000 0.245 426 D C -1.585 174.839 176.300 0.206 0.000 1.211 426 D CA -0.270 53.817 54.000 0.145 0.000 0.888 426 D CB 1.226 42.057 40.800 0.053 0.000 1.483 426 D HN 0.258 nan 8.370 nan 0.000 0.533 427 F N 4.384 124.303 119.950 -0.051 0.000 2.434 427 F HA 0.321 4.853 4.527 0.009 0.000 0.358 427 F C 0.255 175.941 175.800 -0.190 0.000 1.136 427 F CA -1.011 56.806 58.000 -0.305 0.000 1.157 427 F CB 0.008 38.680 39.000 -0.547 0.000 1.167 427 F HN 0.280 nan 8.300 nan 0.000 0.539 428 N N 5.675 124.180 118.700 -0.325 0.000 2.423 428 N HA -0.081 4.664 4.740 0.009 0.000 0.275 428 N C 1.134 176.140 175.510 -0.840 0.000 1.283 428 N CA 0.396 53.196 53.050 -0.417 0.000 0.932 428 N CB 0.436 38.803 38.487 -0.201 0.000 1.185 428 N HN 0.669 nan 8.380 nan 0.000 0.483 429 E N 2.212 122.007 120.200 -0.675 0.000 2.110 429 E HA -0.120 4.235 4.350 0.009 0.000 0.193 429 E C 1.035 177.392 176.600 -0.405 0.000 0.988 429 E CA 1.361 57.378 56.400 -0.639 0.000 0.804 429 E CB 0.150 29.641 29.700 -0.349 0.000 0.745 429 E HN 0.654 nan 8.360 nan 0.000 0.458 430 T N 1.084 115.472 114.554 -0.277 0.000 2.732 430 T HA -0.094 4.261 4.350 0.009 0.000 0.261 430 T C 1.912 176.534 174.700 -0.130 0.000 1.040 430 T CA 1.267 63.270 62.100 -0.162 0.000 1.145 430 T CB -0.077 68.722 68.868 -0.115 0.000 0.866 430 T HN 0.006 nan 8.240 nan 0.000 0.427 431 K N 0.447 120.769 120.400 -0.130 0.000 2.167 431 K HA 0.258 4.584 4.320 0.009 0.000 0.203 431 K C 1.412 177.994 176.600 -0.031 0.000 1.052 431 K CA 0.711 56.961 56.287 -0.062 0.000 0.956 431 K CB -0.160 32.321 32.500 -0.032 0.000 0.735 431 K HN 0.435 nan 8.250 nan 0.000 0.451 432 G N 0.499 109.250 108.800 -0.081 0.000 2.165 432 G HA2 -0.186 3.780 3.960 0.009 0.000 0.226 432 G HA3 -0.186 3.780 3.960 0.009 0.000 0.226 432 G C -0.437 174.655 174.900 0.319 0.000 1.035 432 G CA 0.152 45.312 45.100 0.100 0.000 0.744 432 G HN 0.227 nan 8.290 nan 0.000 0.501 433 V N -0.909 119.191 119.914 0.310 0.000 3.087 433 V HA 0.766 4.891 4.120 0.009 0.000 0.306 433 V C 0.185 176.502 176.094 0.371 0.000 1.187 433 V CA -1.598 60.916 62.300 0.357 0.000 0.999 433 V CB 1.468 33.429 31.823 0.230 0.000 1.049 433 V HN 0.350 nan 8.190 nan 0.000 0.431 434 Y N 2.289 122.793 120.300 0.340 0.000 2.223 434 Y HA 0.452 5.008 4.550 0.009 0.000 0.352 434 Y C 0.842 176.837 175.900 0.158 0.000 1.293 434 Y CA 0.378 58.653 58.100 0.291 0.000 1.601 434 Y CB 0.423 38.979 38.460 0.160 0.000 1.407 434 Y HN 0.568 nan 8.280 nan 0.000 0.639 435 E N 0.150 120.489 120.200 0.233 0.000 2.321 435 E HA 0.186 4.542 4.350 0.009 0.000 0.281 435 E C -1.430 175.079 176.600 -0.152 0.000 0.910 435 E CA -1.107 55.300 56.400 0.011 0.000 0.770 435 E CB 1.789 31.495 29.700 0.010 0.000 1.225 435 E HN 0.451 nan 8.360 nan 0.000 0.417 436 K N 0.478 120.626 120.400 -0.419 0.000 2.401 436 K HA 0.241 4.567 4.320 0.009 0.000 0.278 436 K C -0.293 176.193 176.600 -0.191 0.000 1.018 436 K CA -0.275 55.743 56.287 -0.450 0.000 0.981 436 K CB 0.643 32.769 32.500 -0.623 0.000 0.933 436 K HN 0.071 nan 8.250 nan 0.000 0.477 437 V N 2.798 122.637 119.914 -0.125 0.000 2.235 437 V HA 0.460 4.586 4.120 0.009 0.000 0.266 437 V C 0.520 176.582 176.094 -0.053 0.000 1.055 437 V CA 0.250 62.511 62.300 -0.066 0.000 0.844 437 V CB -0.285 31.519 31.823 -0.032 0.000 1.097 437 V HN 1.168 nan 8.190 nan 0.000 0.453 438 G N 3.518 112.285 108.800 -0.056 0.000 2.265 438 G HA2 -0.005 3.960 3.960 0.009 0.000 0.246 438 G HA3 -0.005 3.960 3.960 0.009 0.000 0.246 438 G C -0.651 174.227 174.900 -0.037 0.000 1.299 438 G CA -0.697 44.382 45.100 -0.035 0.000 1.117 438 G HN 0.568 nan 8.290 nan 0.000 0.485 439 E N 0.780 120.966 120.200 -0.023 0.000 2.415 439 E HA 0.548 4.904 4.350 0.009 0.000 0.263 439 E C 1.435 178.034 176.600 -0.002 0.000 0.995 439 E CA 1.151 57.541 56.400 -0.016 0.000 0.915 439 E CB 1.103 30.787 29.700 -0.025 0.000 0.951 439 E HN 1.224 nan 8.360 nan 0.000 0.449 440 A N 3.316 126.152 122.820 0.026 0.000 1.902 440 A HA -0.226 4.099 4.320 0.009 0.000 0.217 440 A C 2.066 179.718 177.584 0.113 0.000 1.181 440 A CA 2.246 54.346 52.037 0.104 0.000 0.623 440 A CB -1.255 17.829 19.000 0.140 0.000 0.818 440 A HN 0.816 nan 8.150 nan 0.000 0.443 441 T N -1.181 113.399 114.554 0.044 0.000 2.699 441 T HA -0.209 4.147 4.350 0.009 0.000 0.268 441 T C 1.595 176.306 174.700 0.019 0.000 1.036 441 T CA 1.595 63.705 62.100 0.018 0.000 1.147 441 T CB -0.483 68.369 68.868 -0.027 0.000 0.862 441 T HN 0.622 nan 8.240 nan 0.000 0.446 442 E N 0.635 120.840 120.200 0.008 0.000 2.208 442 E HA -0.054 4.301 4.350 0.009 0.000 0.193 442 E C 2.279 178.894 176.600 0.025 0.000 0.988 442 E CA 1.275 57.677 56.400 0.002 0.000 0.828 442 E CB -0.195 29.498 29.700 -0.011 0.000 0.763 442 E HN 0.564 nan 8.360 nan 0.000 0.478 443 T N 0.711 115.302 114.554 0.061 0.000 2.978 443 T HA 0.010 4.366 4.350 0.009 0.000 0.262 443 T C 2.006 176.813 174.700 0.178 0.000 1.063 443 T CA 0.763 62.916 62.100 0.088 0.000 1.140 443 T CB -0.027 68.844 68.868 0.006 0.000 0.886 443 T HN 0.187 nan 8.240 nan 0.000 0.470 444 A N 1.515 124.450 122.820 0.192 0.000 1.958 444 A HA -0.107 4.219 4.320 0.009 0.000 0.221 444 A C 2.136 179.733 177.584 0.021 0.000 1.178 444 A CA 1.437 53.524 52.037 0.083 0.000 0.642 444 A CB -0.833 18.179 19.000 0.021 0.000 0.816 444 A HN 0.365 nan 8.150 nan 0.000 0.453 445 L N -0.853 120.377 121.223 0.013 0.000 2.056 445 L HA -0.095 4.250 4.340 0.009 0.000 0.207 445 L C 2.774 179.631 176.870 -0.020 0.000 1.078 445 L CA 2.317 57.146 54.840 -0.019 0.000 0.749 445 L CB -1.047 40.998 42.059 -0.024 0.000 0.901 445 L HN 0.355 nan 8.230 nan 0.000 0.433 446 T N -1.340 113.215 114.554 0.002 0.000 2.652 446 T HA -0.208 4.147 4.350 0.009 0.000 0.267 446 T C 1.834 176.525 174.700 -0.015 0.000 1.039 446 T CA 1.999 64.096 62.100 -0.005 0.000 1.153 446 T CB -0.347 68.525 68.868 0.007 0.000 0.863 446 T HN 0.361 nan 8.240 nan 0.000 0.428 447 T N 2.525 117.085 114.554 0.010 0.000 2.665 447 T HA -0.143 4.213 4.350 0.009 0.000 0.268 447 T C 1.901 176.563 174.700 -0.064 0.000 1.035 447 T CA 1.465 63.548 62.100 -0.027 0.000 1.151 447 T CB -0.624 68.249 68.868 0.009 0.000 0.862 447 T HN 0.215 nan 8.240 nan 0.000 0.438 448 L N 1.272 122.459 121.223 -0.059 0.000 1.971 448 L HA -0.120 4.225 4.340 0.009 0.000 0.215 448 L C 2.470 179.288 176.870 -0.086 0.000 1.072 448 L CA 1.687 56.479 54.840 -0.079 0.000 0.758 448 L CB -0.821 41.191 42.059 -0.079 0.000 0.889 448 L HN 0.088 nan 8.230 nan 0.000 0.433 449 V N -0.252 119.615 119.914 -0.078 0.000 2.380 449 V HA -0.313 3.812 4.120 0.009 0.000 0.251 449 V C 2.684 178.735 176.094 -0.072 0.000 1.063 449 V CA 1.965 64.216 62.300 -0.080 0.000 1.055 449 V CB -0.754 31.029 31.823 -0.066 0.000 0.657 449 V HN 0.514 nan 8.190 nan 0.000 0.455 450 E N 0.352 120.511 120.200 -0.069 0.000 2.051 450 E HA -0.185 4.171 4.350 0.009 0.000 0.192 450 E C 2.235 178.786 176.600 -0.083 0.000 0.991 450 E CA 1.439 57.795 56.400 -0.074 0.000 0.799 450 E CB -0.239 29.404 29.700 -0.095 0.000 0.748 450 E HN 0.573 nan 8.360 nan 0.000 0.449 451 K N -0.369 119.975 120.400 -0.093 0.000 2.002 451 K HA -0.032 4.293 4.320 0.009 0.000 0.209 451 K C 0.513 177.061 176.600 -0.087 0.000 1.048 451 K CA 1.004 57.237 56.287 -0.090 0.000 0.930 451 K CB -0.212 32.232 32.500 -0.093 0.000 0.714 451 K HN 0.169 nan 8.250 nan 0.000 0.438 452 M N 2.412 121.950 119.600 -0.103 0.000 2.429 452 M HA 0.027 4.513 4.480 0.009 0.000 0.334 452 M C -0.017 176.219 176.300 -0.107 0.000 1.560 452 M CA -0.154 55.074 55.300 -0.121 0.000 1.291 452 M CB 0.005 32.508 32.600 -0.161 0.000 1.754 452 M HN -0.085 nan 8.290 nan 0.000 0.456 453 N N 3.690 122.338 118.700 -0.086 0.000 3.188 453 N HA 0.127 4.873 4.740 0.009 0.000 0.279 453 N C 0.875 176.326 175.510 -0.098 0.000 1.213 453 N CA -0.458 52.552 53.050 -0.066 0.000 1.138 453 N CB 0.443 38.909 38.487 -0.034 0.000 1.417 453 N HN 0.600 nan 8.380 nan 0.000 0.526 454 V N -0.008 119.796 119.914 -0.183 0.000 2.392 454 V HA -0.142 3.984 4.120 0.009 0.000 0.249 454 V C 1.222 177.069 176.094 -0.412 0.000 1.059 454 V CA 1.500 63.588 62.300 -0.352 0.000 1.051 454 V CB -1.018 30.483 31.823 -0.537 0.000 0.658 454 V HN 0.276 nan 8.190 nan 0.000 0.455 455 F N 1.392 121.319 119.950 -0.039 0.000 2.765 455 F HA 0.432 4.965 4.527 0.009 0.000 0.302 455 F C 1.271 177.055 175.800 -0.027 0.000 1.111 455 F CA -0.220 57.761 58.000 -0.032 0.000 1.359 455 F CB -0.618 38.362 39.000 -0.033 0.000 1.097 455 F HN 0.259 nan 8.300 nan 0.000 0.577 456 N N -0.229 118.518 118.700 0.077 0.000 2.776 456 N HA -0.173 4.572 4.740 0.009 0.000 0.250 456 N C -0.100 175.440 175.510 0.049 0.000 1.112 456 N CA 0.891 53.966 53.050 0.043 0.000 0.733 456 N CB -1.971 36.536 38.487 0.033 0.000 1.097 456 N HN 0.118 nan 8.380 nan 0.000 0.558 457 T N 1.748 116.340 114.554 0.063 0.000 2.905 457 T HA -0.069 4.287 4.350 0.009 0.000 0.299 457 T C 0.688 175.401 174.700 0.023 0.000 1.024 457 T CA 0.240 62.366 62.100 0.043 0.000 1.151 457 T CB 0.775 69.671 68.868 0.046 0.000 0.987 457 T HN -0.010 nan 8.240 nan 0.000 0.535 458 E N 2.468 122.678 120.200 0.017 0.000 2.415 458 E HA 0.052 4.408 4.350 0.009 0.000 0.260 458 E C 1.016 177.621 176.600 0.009 0.000 1.016 458 E CA 0.086 56.492 56.400 0.011 0.000 0.924 458 E CB 0.762 30.468 29.700 0.010 0.000 0.961 458 E HN 0.568 nan 8.360 nan 0.000 0.459 459 V N 2.314 122.231 119.914 0.005 0.000 3.473 459 V HA 0.059 4.185 4.120 0.009 0.000 0.253 459 V C 1.790 177.885 176.094 0.002 0.000 1.340 459 V CA 0.241 62.543 62.300 0.003 0.000 1.103 459 V CB -0.095 31.725 31.823 -0.006 0.000 0.881 459 V HN 0.548 nan 8.190 nan 0.000 0.451 460 R N 1.615 122.116 120.500 0.001 0.000 2.189 460 R HA 0.052 4.398 4.340 0.009 0.000 0.223 460 R C 1.137 177.441 176.300 0.006 0.000 1.092 460 R CA 1.864 57.965 56.100 0.001 0.000 0.989 460 R CB -0.897 29.403 30.300 -0.000 0.000 0.876 460 R HN 0.618 nan 8.270 nan 0.000 0.457 461 N N 0.368 119.072 118.700 0.008 0.000 2.322 461 N HA 0.176 4.922 4.740 0.009 0.000 0.194 461 N C -0.415 175.103 175.510 0.014 0.000 1.126 461 N CA -0.229 52.827 53.050 0.010 0.000 0.845 461 N CB 0.337 38.829 38.487 0.009 0.000 0.976 461 N HN 0.082 nan 8.380 nan 0.000 0.475 462 L N 0.724 121.956 121.223 0.016 0.000 2.344 462 L HA 0.337 4.683 4.340 0.009 0.000 0.272 462 L C 0.302 177.189 176.870 0.029 0.000 1.035 462 L CA -0.885 53.968 54.840 0.022 0.000 0.807 462 L CB 1.361 43.434 42.059 0.023 0.000 1.237 462 L HN 0.101 nan 8.230 nan 0.000 0.442 463 S N 0.470 116.194 115.700 0.039 0.000 2.549 463 S HA 0.038 4.513 4.470 0.009 0.000 0.283 463 S C 0.596 175.236 174.600 0.067 0.000 1.320 463 S CA -0.628 57.604 58.200 0.054 0.000 1.058 463 S CB 0.828 64.064 63.200 0.059 0.000 0.882 463 S HN 0.595 nan 8.310 nan 0.000 0.498 464 K N 1.594 122.031 120.400 0.062 0.000 2.633 464 K HA -0.002 4.323 4.320 0.009 0.000 0.193 464 K C 0.752 177.412 176.600 0.099 0.000 1.033 464 K CA 0.437 56.717 56.287 -0.010 0.000 0.980 464 K CB -0.363 32.026 32.500 -0.186 0.000 0.800 464 K HN 0.640 nan 8.250 nan 0.000 0.493 465 V N -0.475 119.545 119.914 0.176 0.000 2.806 465 V HA -0.036 4.090 4.120 0.009 0.000 0.239 465 V C 1.878 178.057 176.094 0.141 0.000 1.113 465 V CA 0.624 63.041 62.300 0.194 0.000 1.137 465 V CB 0.041 31.946 31.823 0.138 0.000 0.865 465 V HN 0.202 nan 8.190 nan 0.000 0.482 466 E N 0.945 121.205 120.200 0.100 0.000 2.047 466 E HA -0.237 4.119 4.350 0.009 0.000 0.191 466 E C 2.266 178.916 176.600 0.083 0.000 0.987 466 E CA 1.256 57.701 56.400 0.076 0.000 0.799 466 E CB -0.262 29.469 29.700 0.052 0.000 0.752 466 E HN 0.345 nan 8.360 nan 0.000 0.449 467 R N 1.547 122.100 120.500 0.087 0.000 2.153 467 R HA -0.228 4.118 4.340 0.009 0.000 0.252 467 R C 2.118 178.467 176.300 0.082 0.000 1.158 467 R CA 1.859 58.003 56.100 0.073 0.000 0.975 467 R CB -0.785 29.560 30.300 0.074 0.000 0.871 467 R HN 0.175 nan 8.270 nan 0.000 0.450 468 A N -0.062 122.872 122.820 0.189 0.000 1.903 468 A HA -0.179 4.147 4.320 0.009 0.000 0.219 468 A C 1.526 179.154 177.584 0.075 0.000 1.191 468 A CA 2.047 54.209 52.037 0.207 0.000 0.638 468 A CB -0.325 18.879 19.000 0.340 0.000 0.823 468 A HN 0.547 nan 8.150 nan 0.000 0.451 469 N N -1.639 117.101 118.700 0.066 0.000 2.241 469 N HA 0.349 5.095 4.740 0.009 0.000 0.238 469 N C 1.252 176.776 175.510 0.024 0.000 1.244 469 N CA 0.678 53.750 53.050 0.036 0.000 0.880 469 N CB 0.557 39.068 38.487 0.040 0.000 1.179 469 N HN 0.401 nan 8.380 nan 0.000 0.513 470 A N 0.570 123.405 122.820 0.024 0.000 1.859 470 A HA -0.230 4.096 4.320 0.009 0.000 0.218 470 A C 2.322 179.916 177.584 0.017 0.000 1.209 470 A CA 1.713 53.762 52.037 0.020 0.000 0.639 470 A CB -0.902 18.108 19.000 0.017 0.000 0.835 470 A HN 0.443 nan 8.150 nan 0.000 0.450 471 C N -0.705 118.602 119.300 0.012 0.000 2.467 471 C HA 0.001 4.466 4.460 0.009 0.000 0.279 471 C C 2.637 177.644 174.990 0.028 0.000 1.347 471 C CA 0.541 59.575 59.018 0.025 0.000 1.748 471 C CB -1.546 26.200 27.740 0.010 0.000 1.977 471 C HN 0.626 nan 8.230 nan 0.000 0.501 472 N N 1.795 120.500 118.700 0.008 0.000 2.069 472 N HA -0.132 4.614 4.740 0.009 0.000 0.191 472 N C 1.837 177.352 175.510 0.008 0.000 1.031 472 N CA 1.925 54.977 53.050 0.003 0.000 0.852 472 N CB -0.419 38.065 38.487 -0.004 0.000 1.018 472 N HN 0.506 nan 8.380 nan 0.000 0.423 473 S N 1.107 116.813 115.700 0.010 0.000 2.365 473 S HA -0.102 4.374 4.470 0.009 0.000 0.225 473 S C 2.358 176.957 174.600 -0.003 0.000 1.039 473 S CA 1.179 59.382 58.200 0.005 0.000 1.033 473 S CB -0.694 62.511 63.200 0.008 0.000 0.887 473 S HN 0.113 nan 8.310 nan 0.000 0.447 474 V N 2.134 122.051 119.914 0.005 0.000 2.392 474 V HA -0.180 3.946 4.120 0.009 0.000 0.249 474 V C 2.065 178.139 176.094 -0.033 0.000 1.059 474 V CA 1.586 63.877 62.300 -0.014 0.000 1.051 474 V CB -0.841 30.997 31.823 0.026 0.000 0.658 474 V HN 0.474 nan 8.190 nan 0.000 0.455 475 I N -0.671 119.913 120.570 0.023 0.000 2.500 475 I HA -0.116 4.059 4.170 0.009 0.000 0.252 475 I C 2.677 178.787 176.117 -0.012 0.000 1.142 475 I CA 1.034 62.352 61.300 0.030 0.000 1.451 475 I CB -0.383 37.655 38.000 0.063 0.000 1.093 475 I HN 0.190 nan 8.210 nan 0.000 0.430 476 R N 0.678 121.171 120.500 -0.012 0.000 2.115 476 R HA -0.128 4.218 4.340 0.009 0.000 0.230 476 R C 2.163 178.449 176.300 -0.023 0.000 1.111 476 R CA 0.867 56.961 56.100 -0.011 0.000 0.976 476 R CB -0.289 30.008 30.300 -0.004 0.000 0.870 476 R HN 0.431 nan 8.270 nan 0.000 0.445 477 Q N 0.400 120.177 119.800 -0.039 0.000 2.248 477 Q HA -0.164 4.181 4.340 0.009 0.000 0.208 477 Q C 1.812 177.771 176.000 -0.068 0.000 0.984 477 Q CA 1.164 56.935 55.803 -0.054 0.000 0.875 477 Q CB -0.054 28.640 28.738 -0.073 0.000 0.910 477 Q HN 0.262 nan 8.270 nan 0.000 0.433 478 L N -1.380 119.795 121.223 -0.079 0.000 2.354 478 L HA 0.151 4.497 4.340 0.009 0.000 0.212 478 L C 0.484 177.333 176.870 -0.035 0.000 1.091 478 L CA 0.829 55.614 54.840 -0.092 0.000 0.828 478 L CB 0.495 42.463 42.059 -0.152 0.000 0.973 478 L HN 0.065 nan 8.230 nan 0.000 0.461 479 M N 0.172 119.769 119.600 -0.006 0.000 2.224 479 M HA 0.227 4.712 4.480 0.009 0.000 0.281 479 M C -0.856 175.456 176.300 0.021 0.000 1.025 479 M CA -0.320 54.997 55.300 0.028 0.000 0.954 479 M CB 2.091 34.754 32.600 0.105 0.000 1.639 479 M HN -0.129 nan 8.290 nan 0.000 0.461 480 K N 3.272 123.677 120.400 0.007 0.000 2.316 480 K HA 0.183 4.509 4.320 0.009 0.000 0.289 480 K C -0.201 176.402 176.600 0.006 0.000 1.070 480 K CA -0.127 56.165 56.287 0.008 0.000 0.928 480 K CB 0.818 33.322 32.500 0.008 0.000 1.039 480 K HN 0.587 nan 8.250 nan 0.000 0.480 481 K N 5.048 125.456 120.400 0.013 0.000 2.315 481 K HA -0.011 4.315 4.320 0.009 0.000 0.291 481 K C 0.517 177.121 176.600 0.007 0.000 1.074 481 K CA -0.225 56.064 56.287 0.003 0.000 0.936 481 K CB 0.605 33.116 32.500 0.018 0.000 1.049 481 K HN 0.582 nan 8.250 nan 0.000 0.471 482 E N 3.661 123.852 120.200 -0.015 0.000 2.004 482 E HA -0.081 4.275 4.350 0.009 0.000 0.193 482 E C 0.641 177.304 176.600 0.105 0.000 0.985 482 E CA 1.264 57.694 56.400 0.049 0.000 0.832 482 E CB -0.181 29.572 29.700 0.087 0.000 0.787 482 E HN 0.543 nan 8.360 nan 0.000 0.466 483 F N -0.616 119.357 119.950 0.039 0.000 2.712 483 F HA 0.690 5.223 4.527 0.009 0.000 0.367 483 F C -0.068 175.735 175.800 0.004 0.000 1.132 483 F CA -1.096 56.900 58.000 -0.007 0.000 1.066 483 F CB 1.143 40.098 39.000 -0.075 0.000 1.416 483 F HN -0.152 nan 8.300 nan 0.000 0.515 484 T N 0.515 115.210 114.554 0.235 0.000 3.041 484 T HA 0.515 4.871 4.350 0.009 0.000 0.321 484 T C -1.665 173.070 174.700 0.057 0.000 1.184 484 T CA -0.736 61.419 62.100 0.091 0.000 1.050 484 T CB 0.960 69.869 68.868 0.068 0.000 1.159 484 T HN 0.807 nan 8.240 nan 0.000 0.469 485 L N 4.265 125.443 121.223 -0.076 0.000 2.288 485 L HA 0.427 4.773 4.340 0.009 0.000 0.283 485 L C 0.406 177.239 176.870 -0.062 0.000 1.072 485 L CA -0.991 53.620 54.840 -0.383 0.000 0.862 485 L CB 0.396 42.035 42.059 -0.700 0.000 1.245 485 L HN 0.721 nan 8.230 nan 0.000 0.432 486 E N 1.601 121.877 120.200 0.127 0.000 2.492 486 E HA -0.082 4.273 4.350 0.009 0.000 0.266 486 E C -0.205 176.584 176.600 0.315 0.000 1.047 486 E CA 0.044 56.596 56.400 0.254 0.000 0.968 486 E CB 0.290 30.178 29.700 0.313 0.000 0.960 486 E HN 0.230 nan 8.360 nan 0.000 0.452 487 F N 1.179 121.217 119.950 0.147 0.000 2.626 487 F HA 0.105 4.638 4.527 0.009 0.000 0.354 487 F C 0.559 176.461 175.800 0.169 0.000 1.168 487 F CA 0.961 59.047 58.000 0.143 0.000 1.368 487 F CB 0.578 39.641 39.000 0.106 0.000 1.092 487 F HN 0.260 nan 8.300 nan 0.000 0.612 488 S N 3.449 118.812 115.700 -0.563 0.000 2.535 488 S HA 0.375 4.851 4.470 0.009 0.000 0.272 488 S C 0.343 174.543 174.600 -0.667 0.000 1.149 488 S CA -0.824 57.168 58.200 -0.346 0.000 0.888 488 S CB 1.438 64.571 63.200 -0.112 0.000 1.110 488 S HN 0.708 nan 8.310 nan 0.000 0.463 489 R N 1.187 121.521 120.500 -0.278 0.000 2.237 489 R HA -0.039 4.306 4.340 0.009 0.000 0.219 489 R C 1.429 177.656 176.300 -0.121 0.000 1.080 489 R CA 1.770 57.778 56.100 -0.153 0.000 0.995 489 R CB -0.161 30.155 30.300 0.027 0.000 0.875 489 R HN 0.798 nan 8.270 nan 0.000 0.462 490 D N 0.280 120.608 120.400 -0.120 0.000 2.183 490 D HA -0.190 4.456 4.640 0.009 0.000 0.203 490 D C 1.728 177.984 176.300 -0.073 0.000 0.969 490 D CA 0.829 54.787 54.000 -0.070 0.000 0.842 490 D CB 0.089 40.856 40.800 -0.056 0.000 0.957 490 D HN 0.233 nan 8.370 nan 0.000 0.484 491 R N -0.342 120.085 120.500 -0.121 0.000 2.446 491 R HA 0.248 4.593 4.340 0.009 0.000 0.254 491 R C 0.225 176.463 176.300 -0.103 0.000 0.918 491 R CA -0.363 55.690 56.100 -0.078 0.000 1.069 491 R CB -0.047 30.233 30.300 -0.033 0.000 1.194 491 R HN -0.141 nan 8.270 nan 0.000 0.534 492 K N 1.606 121.847 120.400 -0.265 0.000 3.077 492 K HA -0.193 4.133 4.320 0.009 0.000 0.264 492 K C -0.975 175.645 176.600 0.033 0.000 1.008 492 K CA 0.970 57.125 56.287 -0.219 0.000 0.740 492 K CB -1.373 31.164 32.500 0.061 0.000 1.273 492 K HN 0.694 nan 8.250 nan 0.000 0.477 493 S N -1.000 114.639 115.700 -0.101 0.000 2.656 493 S HA 0.784 5.260 4.470 0.009 0.000 0.273 493 S C -0.906 173.846 174.600 0.254 0.000 1.168 493 S CA -1.165 57.164 58.200 0.216 0.000 0.817 493 S CB 2.621 65.909 63.200 0.148 0.000 1.146 493 S HN 0.270 nan 8.310 nan 0.000 0.475 494 M N 2.062 121.835 119.600 0.289 0.000 2.371 494 M HA 0.587 5.073 4.480 0.009 0.000 0.287 494 M C -1.439 174.954 176.300 0.155 0.000 1.149 494 M CA -0.251 55.193 55.300 0.241 0.000 0.929 494 M CB 1.998 34.786 32.600 0.313 0.000 1.683 494 M HN 1.165 nan 8.290 nan 0.000 0.470 495 S N 2.896 118.655 115.700 0.100 0.000 2.751 495 S HA 0.950 5.426 4.470 0.009 0.000 0.310 495 S C -1.199 173.421 174.600 0.034 0.000 1.128 495 S CA -0.736 57.507 58.200 0.073 0.000 0.931 495 S CB 2.303 65.539 63.200 0.060 0.000 1.177 495 S HN 0.696 nan 8.310 nan 0.000 0.530 496 V N 1.184 121.100 119.914 0.004 0.000 2.789 496 V HA 0.386 4.512 4.120 0.009 0.000 0.300 496 V C -2.104 173.888 176.094 -0.170 0.000 1.184 496 V CA -0.622 61.653 62.300 -0.042 0.000 0.930 496 V CB 1.903 33.757 31.823 0.052 0.000 1.041 496 V HN 0.925 nan 8.190 nan 0.000 0.430 497 Y N 4.860 124.829 120.300 -0.550 0.000 2.335 497 Y HA 0.663 5.219 4.550 0.009 0.000 0.339 497 Y C -0.058 175.529 175.900 -0.522 0.000 0.987 497 Y CA -0.167 57.494 58.100 -0.731 0.000 1.140 497 Y CB 1.190 38.730 38.460 -1.533 0.000 1.173 497 Y HN 0.696 nan 8.280 nan 0.000 0.486 498 C N 3.533 122.497 119.300 -0.560 0.000 2.634 498 C HA 0.702 5.167 4.460 0.009 0.000 0.313 498 C C -0.339 174.452 174.990 -0.333 0.000 1.198 498 C CA -0.639 58.202 59.018 -0.294 0.000 1.605 498 C CB 1.554 29.232 27.740 -0.105 0.000 2.196 498 C HN 0.860 nan 8.230 nan 0.000 0.486 499 S N 1.970 117.587 115.700 -0.138 0.000 2.566 499 S HA 0.727 5.202 4.470 0.009 0.000 0.298 499 S C -2.841 171.728 174.600 -0.051 0.000 1.083 499 S CA -0.773 57.367 58.200 -0.099 0.000 0.978 499 S CB 1.910 65.099 63.200 -0.019 0.000 1.073 499 S HN 0.618 nan 8.310 nan 0.000 0.491 500 P HA 0.269 nan 4.420 nan 0.000 0.281 500 P C -1.140 176.148 177.300 -0.019 0.000 1.286 500 P CA -0.283 62.802 63.100 -0.025 0.000 0.772 500 P CB 0.270 31.953 31.700 -0.027 0.000 0.862 501 A N 4.948 127.756 122.820 -0.019 0.000 2.545 501 A HA -0.015 4.311 4.320 0.009 0.000 0.253 501 A C 0.897 178.466 177.584 -0.026 0.000 1.074 501 A CA -0.067 51.958 52.037 -0.020 0.000 0.760 501 A CB -0.381 18.604 19.000 -0.025 0.000 1.005 501 A HN 0.440 nan 8.150 nan 0.000 0.506 502 K N 2.887 123.275 120.400 -0.020 0.000 3.354 502 K HA -0.032 4.293 4.320 0.009 0.000 0.295 502 K C 1.321 177.906 176.600 -0.025 0.000 0.831 502 K CA 0.681 56.956 56.287 -0.019 0.000 1.056 502 K CB -0.442 32.050 32.500 -0.013 0.000 1.090 502 K HN 0.848 nan 8.250 nan 0.000 0.410 503 S N 0.253 115.932 115.700 -0.035 0.000 2.428 503 S HA -0.141 4.335 4.470 0.009 0.000 0.230 503 S C 0.965 175.543 174.600 -0.037 0.000 1.014 503 S CA 0.424 58.598 58.200 -0.044 0.000 0.957 503 S CB -0.381 62.779 63.200 -0.067 0.000 0.784 503 S HN 0.504 nan 8.310 nan 0.000 0.499 504 S N -0.251 115.430 115.700 -0.031 0.000 3.929 504 S HA -0.174 4.301 4.470 0.009 0.000 0.351 504 S C -0.289 174.297 174.600 -0.023 0.000 1.021 504 S CA 0.209 58.395 58.200 -0.023 0.000 1.049 504 S CB -2.523 60.667 63.200 -0.018 0.000 0.872 504 S HN 0.795 nan 8.310 nan 0.000 0.479 505 R N 0.745 121.229 120.500 -0.027 0.000 2.439 505 R HA 0.698 5.044 4.340 0.009 0.000 0.310 505 R C 0.886 177.185 176.300 -0.002 0.000 0.955 505 R CA -0.152 55.938 56.100 -0.016 0.000 0.853 505 R CB 1.488 31.770 30.300 -0.030 0.000 1.171 505 R HN 1.638 nan 8.270 nan 0.000 0.449 506 A N 2.241 125.066 122.820 0.008 0.000 2.745 506 A HA -0.241 4.085 4.320 0.009 0.000 0.296 506 A C 0.843 178.424 177.584 -0.004 0.000 1.500 506 A CA 1.032 53.075 52.037 0.009 0.000 0.766 506 A CB -1.564 17.454 19.000 0.030 0.000 1.030 506 A HN 0.864 nan 8.150 nan 0.000 0.489 507 A N -0.490 122.324 122.820 -0.010 0.000 2.426 507 A HA 0.463 4.789 4.320 0.009 0.000 0.247 507 A C 0.651 178.223 177.584 -0.020 0.000 1.389 507 A CA 0.818 52.846 52.037 -0.016 0.000 1.129 507 A CB -0.416 18.575 19.000 -0.015 0.000 0.928 507 A HN 1.299 nan 8.150 nan 0.000 0.557 508 V N 1.015 120.915 119.914 -0.024 0.000 2.184 508 V HA 0.510 4.635 4.120 0.009 0.000 0.262 508 V C 1.021 177.087 176.094 -0.047 0.000 1.209 508 V CA 0.573 62.855 62.300 -0.029 0.000 1.070 508 V CB -0.788 31.019 31.823 -0.026 0.000 1.244 508 V HN 1.122 nan 8.190 nan 0.000 0.477 509 G N 4.874 113.646 108.800 -0.047 0.000 2.888 509 G HA2 -0.220 3.746 3.960 0.009 0.000 0.441 509 G HA3 -0.220 3.746 3.960 0.009 0.000 0.441 509 G C -0.206 174.622 174.900 -0.121 0.000 1.461 509 G CA -0.582 44.479 45.100 -0.065 0.000 0.897 509 G HN 0.622 nan 8.290 nan 0.000 0.547 510 N N 0.789 119.394 118.700 -0.159 0.000 2.371 510 N HA 0.521 5.266 4.740 0.009 0.000 0.243 510 N C 0.141 175.375 175.510 -0.460 0.000 1.287 510 N CA 0.157 53.007 53.050 -0.334 0.000 0.911 510 N CB 0.555 38.814 38.487 -0.381 0.000 1.142 510 N HN 0.583 nan 8.380 nan 0.000 0.451 511 K N 1.098 121.078 120.400 -0.700 0.000 2.553 511 K HA 0.345 4.670 4.320 0.009 0.000 0.250 511 K C -0.658 175.332 176.600 -1.017 0.000 0.953 511 K CA -0.276 55.549 56.287 -0.770 0.000 0.800 511 K CB 2.069 34.094 32.500 -0.791 0.000 1.243 511 K HN 0.487 nan 8.250 nan 0.000 0.435 512 M N 2.131 121.266 119.600 -0.775 0.000 2.314 512 M HA 0.465 4.951 4.480 0.009 0.000 0.342 512 M C -0.812 175.125 176.300 -0.604 0.000 1.171 512 M CA -0.487 54.468 55.300 -0.576 0.000 1.098 512 M CB 0.633 33.097 32.600 -0.227 0.000 1.559 512 M HN 0.312 nan 8.290 nan 0.000 0.459 513 F N 1.704 121.601 119.950 -0.089 0.000 2.496 513 F HA 0.485 5.018 4.527 0.009 0.000 0.341 513 F C -0.550 175.236 175.800 -0.023 0.000 1.134 513 F CA -1.017 56.948 58.000 -0.058 0.000 0.968 513 F CB 1.204 40.163 39.000 -0.069 0.000 1.205 513 F HN 0.110 nan 8.300 nan 0.000 0.436 514 V N 3.917 123.940 119.914 0.182 0.000 2.435 514 V HA 0.616 4.742 4.120 0.009 0.000 0.290 514 V C -0.453 175.708 176.094 0.112 0.000 1.030 514 V CA -0.965 61.413 62.300 0.130 0.000 0.881 514 V CB 1.794 33.687 31.823 0.116 0.000 0.983 514 V HN 0.706 nan 8.190 nan 0.000 0.445 515 K N 3.135 123.604 120.400 0.115 0.000 2.501 515 K HA 0.896 5.221 4.320 0.009 0.000 0.252 515 K C -0.465 176.227 176.600 0.152 0.000 0.934 515 K CA -0.412 55.934 56.287 0.098 0.000 0.797 515 K CB 2.492 35.028 32.500 0.060 0.000 1.270 515 K HN 0.917 nan 8.250 nan 0.000 0.431 516 G N 0.844 109.736 108.800 0.153 0.000 2.489 516 G HA2 0.557 4.523 3.960 0.009 0.000 0.305 516 G HA3 0.557 4.523 3.960 0.009 0.000 0.305 516 G C -1.424 173.586 174.900 0.185 0.000 1.311 516 G CA -0.657 44.578 45.100 0.225 0.000 0.813 516 G HN 0.768 nan 8.290 nan 0.000 0.480 517 A N 0.422 123.372 122.820 0.216 0.000 2.540 517 A HA 0.541 4.867 4.320 0.009 0.000 0.239 517 A C -0.819 176.849 177.584 0.139 0.000 1.061 517 A CA -0.052 52.086 52.037 0.167 0.000 0.758 517 A CB 0.162 19.268 19.000 0.176 0.000 0.991 517 A HN 0.338 nan 8.150 nan 0.000 0.502 518 P HA -0.214 nan 4.420 nan 0.000 0.215 518 P C 1.348 178.710 177.300 0.103 0.000 1.153 518 P CA 1.670 64.845 63.100 0.125 0.000 0.853 518 P CB 0.018 31.786 31.700 0.113 0.000 0.788 519 E N -0.054 120.196 120.200 0.083 0.000 2.033 519 E HA -0.188 4.168 4.350 0.009 0.000 0.199 519 E C 2.313 178.950 176.600 0.062 0.000 1.011 519 E CA 2.124 58.560 56.400 0.060 0.000 0.815 519 E CB -1.879 27.853 29.700 0.054 0.000 0.755 519 E HN 0.235 nan 8.360 nan 0.000 0.451 520 G N 1.310 110.153 108.800 0.072 0.000 2.402 520 G HA2 -0.164 3.801 3.960 0.009 0.000 0.216 520 G HA3 -0.164 3.801 3.960 0.009 0.000 0.216 520 G C 1.882 176.829 174.900 0.079 0.000 1.162 520 G CA 1.170 46.309 45.100 0.065 0.000 0.777 520 G HN 0.214 nan 8.290 nan 0.000 0.539 521 V N 1.177 121.154 119.914 0.105 0.000 2.295 521 V HA -0.159 3.967 4.120 0.009 0.000 0.246 521 V C 2.811 178.987 176.094 0.136 0.000 1.049 521 V CA 1.679 64.055 62.300 0.128 0.000 1.024 521 V CB -0.370 31.544 31.823 0.152 0.000 0.648 521 V HN 0.396 nan 8.190 nan 0.000 0.447 522 I N -0.131 120.518 120.570 0.132 0.000 2.226 522 I HA -0.225 3.951 4.170 0.009 0.000 0.245 522 I C 2.256 178.405 176.117 0.054 0.000 1.100 522 I CA 1.490 62.852 61.300 0.103 0.000 1.374 522 I CB -0.527 37.490 38.000 0.028 0.000 1.057 522 I HN 0.288 nan 8.210 nan 0.000 0.413 523 D N 1.182 121.607 120.400 0.041 0.000 2.182 523 D HA -0.151 4.494 4.640 0.009 0.000 0.201 523 D C 1.623 177.940 176.300 0.028 0.000 0.986 523 D CA 1.117 55.131 54.000 0.023 0.000 0.847 523 D CB -0.108 40.705 40.800 0.021 0.000 0.942 523 D HN 0.403 nan 8.370 nan 0.000 0.467 524 R N -0.462 120.069 120.500 0.052 0.000 2.568 524 R HA 0.246 4.592 4.340 0.009 0.000 0.288 524 R C -0.275 176.070 176.300 0.076 0.000 1.077 524 R CA -0.188 55.946 56.100 0.057 0.000 1.102 524 R CB -0.092 30.249 30.300 0.068 0.000 1.278 524 R HN -0.002 nan 8.270 nan 0.000 0.560 525 C N 1.670 121.014 119.300 0.072 0.000 2.271 525 C HA 0.280 4.746 4.460 0.009 0.000 0.323 525 C C 1.116 176.108 174.990 0.004 0.000 1.245 525 C CA -0.899 58.178 59.018 0.098 0.000 1.548 525 C CB 0.484 28.328 27.740 0.173 0.000 2.214 525 C HN 0.524 nan 8.230 nan 0.000 0.477 526 N N 1.175 119.828 118.700 -0.078 0.000 2.463 526 N HA 0.055 4.801 4.740 0.009 0.000 0.181 526 N C -0.521 174.653 175.510 -0.561 0.000 1.078 526 N CA 0.870 53.690 53.050 -0.383 0.000 0.902 526 N CB 0.195 38.316 38.487 -0.611 0.000 0.970 526 N HN 0.690 nan 8.380 nan 0.000 0.451 527 Y N -1.221 119.124 120.300 0.075 0.000 2.576 527 Y HA 0.534 5.089 4.550 0.009 0.000 0.346 527 Y C -0.181 175.798 175.900 0.131 0.000 1.018 527 Y CA -0.985 57.165 58.100 0.083 0.000 1.050 527 Y CB 1.675 40.179 38.460 0.074 0.000 1.280 527 Y HN -0.427 nan 8.280 nan 0.000 0.474 528 V N 2.209 122.309 119.914 0.310 0.000 2.540 528 V HA 0.480 4.606 4.120 0.009 0.000 0.302 528 V C -0.533 175.705 176.094 0.241 0.000 1.035 528 V CA -1.037 61.439 62.300 0.294 0.000 0.873 528 V CB 1.827 33.785 31.823 0.224 0.000 0.992 528 V HN 0.670 nan 8.190 nan 0.000 0.428 529 R N 3.638 124.273 120.500 0.225 0.000 2.340 529 R HA 0.577 4.922 4.340 0.009 0.000 0.300 529 R C -1.248 175.144 176.300 0.154 0.000 1.069 529 R CA -0.061 56.126 56.100 0.145 0.000 0.984 529 R CB 1.082 31.435 30.300 0.088 0.000 1.003 529 R HN 0.497 nan 8.270 nan 0.000 0.459 530 V N 6.303 126.291 119.914 0.123 0.000 2.357 530 V HA 0.403 4.528 4.120 0.009 0.000 0.281 530 V C 1.040 177.195 176.094 0.101 0.000 1.015 530 V CA 0.205 62.578 62.300 0.123 0.000 0.827 530 V CB 0.559 32.449 31.823 0.111 0.000 1.018 530 V HN 1.139 nan 8.190 nan 0.000 0.432 531 G N 5.207 114.073 108.800 0.110 0.000 3.099 531 G HA2 -0.372 3.593 3.960 0.009 0.000 0.331 531 G HA3 -0.372 3.593 3.960 0.009 0.000 0.331 531 G C 0.950 175.890 174.900 0.066 0.000 1.216 531 G CA 1.270 46.426 45.100 0.093 0.000 0.977 531 G HN 0.642 nan 8.290 nan 0.000 0.600 532 T N 0.986 115.571 114.554 0.052 0.000 2.954 532 T HA 0.349 4.704 4.350 0.009 0.000 0.252 532 T C 1.327 176.046 174.700 0.032 0.000 0.983 532 T CA 1.610 63.732 62.100 0.038 0.000 0.941 532 T CB -0.143 68.743 68.868 0.030 0.000 1.141 532 T HN 1.248 nan 8.240 nan 0.000 0.500 533 T N 1.127 115.705 114.554 0.040 0.000 2.813 533 T HA 0.433 4.789 4.350 0.009 0.000 0.297 533 T C -0.061 174.666 174.700 0.044 0.000 1.036 533 T CA -0.650 61.471 62.100 0.036 0.000 1.044 533 T CB 1.089 69.984 68.868 0.044 0.000 0.993 533 T HN 0.218 nan 8.240 nan 0.000 0.535 534 R N 0.597 121.118 120.500 0.034 0.000 2.575 534 R HA 0.605 4.951 4.340 0.009 0.000 0.293 534 R C -1.415 174.940 176.300 0.092 0.000 0.983 534 R CA -0.837 55.291 56.100 0.047 0.000 0.887 534 R CB 1.902 32.169 30.300 -0.054 0.000 1.184 534 R HN 0.788 nan 8.270 nan 0.000 0.445 535 V N 0.873 120.883 119.914 0.159 0.000 2.962 535 V HA 0.700 4.825 4.120 0.009 0.000 0.313 535 V C -2.668 173.567 176.094 0.235 0.000 1.099 535 V CA -2.598 59.804 62.300 0.169 0.000 0.971 535 V CB 1.845 33.733 31.823 0.108 0.000 1.028 535 V HN 0.688 nan 8.190 nan 0.000 0.430 536 P HA 0.113 nan 4.420 nan 0.000 0.267 536 P C -0.310 177.000 177.300 0.017 0.000 1.200 536 P CA -0.099 63.042 63.100 0.069 0.000 0.772 536 P CB 0.439 32.147 31.700 0.013 0.000 0.855 537 M N 3.195 122.763 119.600 -0.053 0.000 2.252 537 M HA 0.224 4.710 4.480 0.009 0.000 0.333 537 M C 0.175 176.439 176.300 -0.059 0.000 1.111 537 M CA 1.106 56.379 55.300 -0.045 0.000 1.140 537 M CB -0.205 32.354 32.600 -0.068 0.000 1.538 537 M HN 0.588 nan 8.290 nan 0.000 0.448 538 T N 0.874 115.393 114.554 -0.057 0.000 2.816 538 T HA 0.661 5.017 4.350 0.009 0.000 0.299 538 T C 0.712 175.369 174.700 -0.071 0.000 1.230 538 T CA -0.560 61.502 62.100 -0.064 0.000 1.007 538 T CB 1.012 69.842 68.868 -0.063 0.000 1.289 538 T HN 0.672 nan 8.240 nan 0.000 0.508 539 G N 0.924 109.682 108.800 -0.070 0.000 2.480 539 G HA2 -0.032 3.933 3.960 0.009 0.000 0.216 539 G HA3 -0.032 3.933 3.960 0.009 0.000 0.216 539 G C -0.944 173.911 174.900 -0.074 0.000 1.200 539 G CA 1.137 46.196 45.100 -0.068 0.000 0.782 539 G HN 0.656 nan 8.290 nan 0.000 0.554 540 P HA -0.087 nan 4.420 nan 0.000 0.215 540 P C 2.216 179.472 177.300 -0.073 0.000 1.157 540 P CA 1.215 64.269 63.100 -0.077 0.000 0.874 540 P CB -0.215 31.419 31.700 -0.109 0.000 0.790 541 V N 0.731 120.599 119.914 -0.076 0.000 2.219 541 V HA -0.316 3.810 4.120 0.009 0.000 0.248 541 V C 2.563 178.579 176.094 -0.130 0.000 1.053 541 V CA 2.507 64.756 62.300 -0.086 0.000 1.009 541 V CB -1.277 30.506 31.823 -0.066 0.000 0.636 541 V HN 0.152 nan 8.190 nan 0.000 0.445 542 K N 0.034 120.356 120.400 -0.130 0.000 2.113 542 K HA -0.255 4.071 4.320 0.009 0.000 0.208 542 K C 2.015 178.537 176.600 -0.130 0.000 1.047 542 K CA 1.987 58.183 56.287 -0.150 0.000 0.928 542 K CB -0.218 32.215 32.500 -0.112 0.000 0.716 542 K HN 0.563 nan 8.250 nan 0.000 0.446 543 E N 0.946 121.085 120.200 -0.101 0.000 2.051 543 E HA -0.225 4.131 4.350 0.009 0.000 0.192 543 E C 1.978 178.512 176.600 -0.110 0.000 0.991 543 E CA 1.195 57.542 56.400 -0.088 0.000 0.799 543 E CB -0.322 29.339 29.700 -0.065 0.000 0.748 543 E HN 0.222 nan 8.360 nan 0.000 0.449 544 K N 1.578 121.905 120.400 -0.122 0.000 2.001 544 K HA -0.123 4.203 4.320 0.009 0.000 0.214 544 K C 2.195 178.653 176.600 -0.237 0.000 1.050 544 K CA 1.223 57.412 56.287 -0.164 0.000 0.934 544 K CB -0.744 31.667 32.500 -0.149 0.000 0.718 544 K HN 0.112 nan 8.250 nan 0.000 0.443 545 I N 0.475 120.906 120.570 -0.231 0.000 2.068 545 I HA -0.374 3.802 4.170 0.009 0.000 0.238 545 I C 2.337 178.386 176.117 -0.113 0.000 1.046 545 I CA 1.775 62.967 61.300 -0.180 0.000 1.306 545 I CB -0.516 37.297 38.000 -0.312 0.000 1.023 545 I HN 0.133 nan 8.210 nan 0.000 0.399 546 L N 0.141 121.295 121.223 -0.115 0.000 2.079 546 L HA -0.242 4.103 4.340 0.009 0.000 0.210 546 L C 2.816 179.634 176.870 -0.087 0.000 1.081 546 L CA 1.513 56.309 54.840 -0.073 0.000 0.752 546 L CB -0.564 41.458 42.059 -0.063 0.000 0.896 546 L HN 0.336 nan 8.230 nan 0.000 0.433 547 S N -0.296 115.332 115.700 -0.120 0.000 2.359 547 S HA -0.163 4.312 4.470 0.009 0.000 0.224 547 S C 1.936 176.436 174.600 -0.167 0.000 1.035 547 S CA 1.657 59.783 58.200 -0.123 0.000 1.018 547 S CB -0.176 62.947 63.200 -0.129 0.000 0.876 547 S HN 0.201 nan 8.310 nan 0.000 0.448 548 V N 3.002 122.748 119.914 -0.280 0.000 2.427 548 V HA -0.112 4.014 4.120 0.009 0.000 0.248 548 V C 2.421 178.250 176.094 -0.442 0.000 1.051 548 V CA 1.398 63.429 62.300 -0.447 0.000 1.048 548 V CB -0.722 30.639 31.823 -0.771 0.000 0.666 548 V HN 0.511 nan 8.190 nan 0.000 0.456 549 I N 0.591 121.032 120.570 -0.215 0.000 2.151 549 I HA -0.297 3.879 4.170 0.009 0.000 0.243 549 I C 2.427 178.547 176.117 0.005 0.000 1.080 549 I CA 1.985 63.247 61.300 -0.064 0.000 1.339 549 I CB -1.336 36.686 38.000 0.036 0.000 1.039 549 I HN 0.391 nan 8.210 nan 0.000 0.409 550 K N 0.952 121.341 120.400 -0.018 0.000 2.063 550 K HA -0.255 4.071 4.320 0.009 0.000 0.208 550 K C 2.108 178.737 176.600 0.048 0.000 1.048 550 K CA 1.774 58.072 56.287 0.017 0.000 0.928 550 K CB 0.031 32.527 32.500 -0.007 0.000 0.713 550 K HN 0.131 nan 8.250 nan 0.000 0.442 551 E N -0.033 120.179 120.200 0.020 0.000 2.031 551 E HA -0.185 4.170 4.350 0.009 0.000 0.193 551 E C 1.610 178.366 176.600 0.260 0.000 0.994 551 E CA 1.741 58.197 56.400 0.093 0.000 0.800 551 E CB -0.215 29.516 29.700 0.052 0.000 0.752 551 E HN 0.369 nan 8.360 nan 0.000 0.447 552 W N 0.070 121.401 121.300 0.053 0.000 2.358 552 W HA 0.085 4.750 4.660 0.009 0.000 0.303 552 W C 2.361 178.906 176.519 0.043 0.000 1.208 552 W CA 1.348 58.727 57.345 0.056 0.000 1.274 552 W CB -1.260 28.254 29.460 0.090 0.000 1.138 552 W HN 0.268 nan 8.180 nan 0.000 0.515 553 G N -0.937 108.034 108.800 0.285 0.000 2.403 553 G HA2 -0.173 3.792 3.960 0.009 0.000 0.216 553 G HA3 -0.173 3.792 3.960 0.009 0.000 0.216 553 G C 1.401 176.370 174.900 0.115 0.000 1.154 553 G CA 1.781 46.983 45.100 0.170 0.000 0.784 553 G HN 0.306 nan 8.290 nan 0.000 0.538 554 T N -1.955 112.663 114.554 0.106 0.000 3.022 554 T HA 0.413 4.768 4.350 0.009 0.000 0.250 554 T C 1.442 176.183 174.700 0.068 0.000 1.060 554 T CA 0.561 62.704 62.100 0.071 0.000 1.013 554 T CB 0.502 69.401 68.868 0.051 0.000 0.982 554 T HN 0.267 nan 8.240 nan 0.000 0.508 555 G N 0.813 109.668 108.800 0.092 0.000 2.570 555 G HA2 0.292 4.258 3.960 0.009 0.000 0.276 555 G HA3 0.292 4.258 3.960 0.009 0.000 0.276 555 G C 0.741 175.673 174.900 0.053 0.000 1.346 555 G CA -0.827 44.320 45.100 0.078 0.000 1.034 555 G HN 0.263 nan 8.290 nan 0.000 0.512 556 R N -0.461 120.062 120.500 0.039 0.000 2.193 556 R HA -0.078 4.268 4.340 0.009 0.000 0.229 556 R C 0.945 177.249 176.300 0.007 0.000 1.110 556 R CA 1.565 57.677 56.100 0.020 0.000 0.988 556 R CB 0.081 30.388 30.300 0.012 0.000 0.871 556 R HN 0.664 nan 8.270 nan 0.000 0.458 557 D N -1.944 118.458 120.400 0.005 0.000 2.462 557 D HA 0.013 4.659 4.640 0.009 0.000 0.221 557 D C -0.354 175.935 176.300 -0.019 0.000 1.173 557 D CA -0.168 53.816 54.000 -0.026 0.000 0.831 557 D CB 0.284 41.044 40.800 -0.068 0.000 1.001 557 D HN -0.248 nan 8.370 nan 0.000 0.499 558 T N 0.817 115.384 114.554 0.021 0.000 3.506 558 T HA -0.185 4.171 4.350 0.009 0.000 0.407 558 T C -0.200 174.517 174.700 0.028 0.000 0.766 558 T CA 0.397 62.514 62.100 0.030 0.000 2.070 558 T CB -1.628 67.245 68.868 0.009 0.000 1.712 558 T HN 0.364 nan 8.240 nan 0.000 0.692 559 L N 1.234 122.495 121.223 0.063 0.000 2.313 559 L HA 0.512 4.857 4.340 0.009 0.000 0.283 559 L C 0.872 177.804 176.870 0.103 0.000 1.013 559 L CA -0.945 53.927 54.840 0.054 0.000 0.816 559 L CB 1.534 43.608 42.059 0.025 0.000 1.236 559 L HN 0.250 nan 8.230 nan 0.000 0.419 560 R N 2.265 122.807 120.500 0.069 0.000 2.442 560 R HA 0.320 4.665 4.340 0.009 0.000 0.291 560 R C -1.297 175.067 176.300 0.107 0.000 1.069 560 R CA -0.224 55.924 56.100 0.081 0.000 1.022 560 R CB 0.669 30.998 30.300 0.049 0.000 0.976 560 R HN 0.661 nan 8.270 nan 0.000 0.443 561 C N 5.417 124.797 119.300 0.133 0.000 2.417 561 C HA 0.517 4.982 4.460 0.009 0.000 0.324 561 C C -0.811 174.246 174.990 0.112 0.000 1.240 561 C CA -0.961 58.152 59.018 0.158 0.000 1.632 561 C CB 1.039 28.907 27.740 0.214 0.000 2.241 561 C HN 0.608 nan 8.230 nan 0.000 0.499 562 L N 2.907 124.182 121.223 0.087 0.000 2.322 562 L HA 0.703 5.049 4.340 0.009 0.000 0.281 562 L C 0.538 177.438 176.870 0.050 0.000 1.014 562 L CA -0.176 54.704 54.840 0.066 0.000 0.815 562 L CB 1.217 43.297 42.059 0.036 0.000 1.247 562 L HN 0.871 nan 8.230 nan 0.000 0.421 563 A N 4.940 127.809 122.820 0.081 0.000 2.316 563 A HA 0.859 5.185 4.320 0.009 0.000 0.284 563 A C -0.774 176.818 177.584 0.013 0.000 1.115 563 A CA -0.343 51.747 52.037 0.089 0.000 0.812 563 A CB 0.414 19.541 19.000 0.213 0.000 1.064 563 A HN 0.643 nan 8.150 nan 0.000 0.489 564 L N 0.666 121.819 121.223 -0.116 0.000 2.401 564 L HA 0.868 5.214 4.340 0.009 0.000 0.266 564 L C 0.022 176.780 176.870 -0.186 0.000 0.991 564 L CA -0.537 54.234 54.840 -0.115 0.000 0.818 564 L CB 2.073 44.042 42.059 -0.151 0.000 1.321 564 L HN 0.890 nan 8.230 nan 0.000 0.413 565 A N 0.773 123.567 122.820 -0.043 0.000 2.599 565 A HA 0.867 5.193 4.320 0.009 0.000 0.290 565 A C -0.980 176.662 177.584 0.097 0.000 1.101 565 A CA -0.420 51.618 52.037 0.002 0.000 0.674 565 A CB 2.232 21.284 19.000 0.088 0.000 1.277 565 A HN 0.635 nan 8.150 nan 0.000 0.419 566 T N -0.460 114.163 114.554 0.114 0.000 2.900 566 T HA 0.615 4.970 4.350 0.009 0.000 0.295 566 T C -0.762 173.961 174.700 0.038 0.000 1.044 566 T CA -0.608 61.562 62.100 0.118 0.000 0.995 566 T CB 1.393 70.401 68.868 0.234 0.000 1.072 566 T HN 0.725 nan 8.240 nan 0.000 0.473 567 R N 2.771 123.245 120.500 -0.042 0.000 2.205 567 R HA 0.200 4.545 4.340 0.009 0.000 0.342 567 R C 0.210 176.450 176.300 -0.099 0.000 1.058 567 R CA -0.474 55.609 56.100 -0.027 0.000 0.904 567 R CB 0.420 30.712 30.300 -0.013 0.000 1.089 567 R HN 0.728 nan 8.270 nan 0.000 0.471 568 D N 1.419 121.779 120.400 -0.066 0.000 2.097 568 D HA -0.087 4.559 4.640 0.009 0.000 0.195 568 D C 0.106 176.340 176.300 -0.111 0.000 0.989 568 D CA 1.626 55.564 54.000 -0.104 0.000 0.827 568 D CB 0.401 41.127 40.800 -0.123 0.000 0.966 568 D HN 0.511 nan 8.370 nan 0.000 0.456 569 T N 1.342 115.853 114.554 -0.071 0.000 3.155 569 T HA 0.372 4.728 4.350 0.009 0.000 0.384 569 T C -2.486 172.210 174.700 -0.008 0.000 1.351 569 T CA -1.607 60.464 62.100 -0.048 0.000 1.198 569 T CB 1.913 70.765 68.868 -0.026 0.000 1.106 569 T HN -0.065 nan 8.240 nan 0.000 0.564 570 P HA 0.327 nan 4.420 nan 0.000 0.274 570 P C -2.390 174.989 177.300 0.131 0.000 1.237 570 P CA -1.388 61.741 63.100 0.048 0.000 0.793 570 P CB -0.053 31.627 31.700 -0.033 0.000 0.977 571 P HA 0.084 nan 4.420 nan 0.000 0.270 571 P C 0.015 177.418 177.300 0.172 0.000 1.223 571 P CA -0.012 63.193 63.100 0.175 0.000 0.785 571 P CB 0.500 32.339 31.700 0.232 0.000 0.923 572 K N 0.930 121.401 120.400 0.119 0.000 2.561 572 K HA -0.122 4.204 4.320 0.009 0.000 0.280 572 K C 1.634 178.260 176.600 0.044 0.000 0.975 572 K CA 0.185 56.527 56.287 0.091 0.000 1.024 572 K CB 0.273 32.809 32.500 0.060 0.000 0.883 572 K HN 0.325 nan 8.250 nan 0.000 0.496 573 R N 3.077 123.597 120.500 0.033 0.000 2.094 573 R HA -0.214 4.132 4.340 0.009 0.000 0.239 573 R C 1.113 177.339 176.300 -0.123 0.000 1.137 573 R CA 2.233 58.273 56.100 -0.100 0.000 0.943 573 R CB -0.143 30.143 30.300 -0.023 0.000 0.850 573 R HN 0.654 nan 8.270 nan 0.000 0.433 574 E N 0.248 120.415 120.200 -0.055 0.000 2.150 574 E HA -0.131 4.224 4.350 0.009 0.000 0.193 574 E C 1.727 178.302 176.600 -0.041 0.000 0.985 574 E CA 1.141 57.510 56.400 -0.052 0.000 0.814 574 E CB -0.140 29.548 29.700 -0.020 0.000 0.752 574 E HN 0.346 nan 8.360 nan 0.000 0.466 575 E N 0.101 120.294 120.200 -0.011 0.000 2.274 575 E HA -0.043 4.313 4.350 0.009 0.000 0.194 575 E C 0.077 176.713 176.600 0.060 0.000 0.996 575 E CA 0.319 56.739 56.400 0.033 0.000 0.840 575 E CB 0.157 29.896 29.700 0.065 0.000 0.772 575 E HN 0.298 nan 8.360 nan 0.000 0.491 576 M N 0.723 120.300 119.600 -0.038 0.000 2.216 576 M HA 0.183 4.668 4.480 0.009 0.000 0.356 576 M C -0.395 175.834 176.300 -0.118 0.000 1.205 576 M CA -0.430 54.798 55.300 -0.120 0.000 1.122 576 M CB 2.013 34.249 32.600 -0.607 0.000 1.571 576 M HN -0.355 nan 8.290 nan 0.000 0.464 577 V N 4.868 124.811 119.914 0.049 0.000 2.409 577 V HA 0.220 4.346 4.120 0.009 0.000 0.291 577 V C 0.744 176.864 176.094 0.043 0.000 1.020 577 V CA -0.510 61.784 62.300 -0.010 0.000 0.848 577 V CB 1.531 33.370 31.823 0.027 0.000 0.990 577 V HN 0.829 nan 8.190 nan 0.000 0.430 578 L N 1.930 123.100 121.223 -0.089 0.000 2.610 578 L HA 0.115 4.460 4.340 0.009 0.000 0.232 578 L C 1.170 178.178 176.870 0.229 0.000 1.149 578 L CA 0.572 55.420 54.840 0.013 0.000 0.872 578 L CB -0.291 41.599 42.059 -0.280 0.000 0.992 578 L HN 0.639 nan 8.230 nan 0.000 0.447 579 D N -0.292 120.170 120.400 0.103 0.000 2.346 579 D HA 0.004 4.649 4.640 0.009 0.000 0.206 579 D C 0.051 176.247 176.300 -0.173 0.000 1.001 579 D CA 0.494 54.531 54.000 0.061 0.000 0.871 579 D CB 0.461 41.293 40.800 0.054 0.000 0.943 579 D HN 0.386 nan 8.370 nan 0.000 0.518 580 D N 1.241 121.537 120.400 -0.174 0.000 2.456 580 D HA 0.100 4.746 4.640 0.009 0.000 0.219 580 D C 0.989 176.843 176.300 -0.743 0.000 1.126 580 D CA -0.001 53.811 54.000 -0.315 0.000 0.890 580 D CB 1.623 42.347 40.800 -0.126 0.000 1.025 580 D HN -0.076 nan 8.370 nan 0.000 0.511 581 S N 0.613 115.663 115.700 -1.082 0.000 2.428 581 S HA -0.168 4.308 4.470 0.009 0.000 0.230 581 S C 2.032 176.112 174.600 -0.866 0.000 1.014 581 S CA 0.455 57.669 58.200 -1.644 0.000 0.957 581 S CB -0.061 62.476 63.200 -1.106 0.000 0.784 581 S HN 0.484 nan 8.310 nan 0.000 0.499 582 S N 1.849 117.263 115.700 -0.477 0.000 2.453 582 S HA 0.036 4.512 4.470 0.009 0.000 0.231 582 S C 1.683 176.147 174.600 -0.227 0.000 1.005 582 S CA 0.550 58.593 58.200 -0.261 0.000 0.949 582 S CB -0.306 62.783 63.200 -0.184 0.000 0.774 582 S HN 0.400 nan 8.310 nan 0.000 0.510 583 R N 0.311 120.639 120.500 -0.285 0.000 2.276 583 R HA 0.331 4.676 4.340 0.009 0.000 0.203 583 R C 1.503 177.686 176.300 -0.194 0.000 1.017 583 R CA 0.530 56.459 56.100 -0.284 0.000 1.010 583 R CB -0.525 29.625 30.300 -0.249 0.000 0.900 583 R HN 0.582 nan 8.270 nan 0.000 0.469 584 F N -0.429 119.486 119.950 -0.059 0.000 2.134 584 F HA -0.262 4.271 4.527 0.009 0.000 0.299 584 F C 2.354 178.196 175.800 0.070 0.000 1.097 584 F CA 0.743 58.829 58.000 0.143 0.000 1.264 584 F CB -0.188 38.890 39.000 0.131 0.000 1.001 584 F HN 0.132 nan 8.300 nan 0.000 0.479 585 M N 1.374 121.072 119.600 0.163 0.000 2.080 585 M HA -0.272 4.214 4.480 0.009 0.000 0.260 585 M C 2.142 178.469 176.300 0.046 0.000 1.068 585 M CA 2.376 57.728 55.300 0.087 0.000 1.109 585 M CB -0.263 32.354 32.600 0.028 0.000 1.342 585 M HN 0.178 nan 8.290 nan 0.000 0.405 586 E N -0.863 119.303 120.200 -0.058 0.000 2.204 586 E HA -0.218 4.137 4.350 0.009 0.000 0.194 586 E C 1.392 177.987 176.600 -0.009 0.000 0.989 586 E CA 1.490 57.844 56.400 -0.077 0.000 0.824 586 E CB -0.874 28.731 29.700 -0.158 0.000 0.756 586 E HN 0.606 nan 8.360 nan 0.000 0.477 587 Y N 1.463 121.834 120.300 0.118 0.000 2.352 587 Y HA 0.027 4.583 4.550 0.009 0.000 0.292 587 Y C 0.659 176.622 175.900 0.105 0.000 1.136 587 Y CA 0.738 58.912 58.100 0.123 0.000 1.227 587 Y CB -0.115 38.439 38.460 0.156 0.000 0.991 587 Y HN 0.096 nan 8.280 nan 0.000 0.545 588 E N 0.334 120.675 120.200 0.235 0.000 2.360 588 E HA 0.260 4.616 4.350 0.009 0.000 0.253 588 E C -0.546 176.128 176.600 0.124 0.000 1.189 588 E CA -0.048 56.450 56.400 0.164 0.000 1.252 588 E CB 0.252 30.044 29.700 0.152 0.000 1.408 588 E HN -0.001 nan 8.360 nan 0.000 0.464 589 T N 0.282 114.909 114.554 0.122 0.000 2.894 589 T HA 0.129 4.485 4.350 0.009 0.000 0.309 589 T C -0.492 174.277 174.700 0.114 0.000 1.208 589 T CA -0.674 61.485 62.100 0.098 0.000 1.016 589 T CB 1.374 70.287 68.868 0.076 0.000 1.192 589 T HN 0.298 nan 8.240 nan 0.000 0.491 590 D N 0.919 121.385 120.400 0.111 0.000 2.907 590 D HA -0.133 4.513 4.640 0.009 0.000 0.226 590 D C -0.006 176.439 176.300 0.241 0.000 1.141 590 D CA 0.568 54.669 54.000 0.168 0.000 0.779 590 D CB -1.377 39.530 40.800 0.179 0.000 1.095 590 D HN 0.441 nan 8.370 nan 0.000 0.430 591 L N -0.710 120.627 121.223 0.190 0.000 2.475 591 L HA 0.367 4.713 4.340 0.009 0.000 0.250 591 L C 1.110 178.152 176.870 0.287 0.000 1.224 591 L CA 0.149 55.105 54.840 0.194 0.000 0.821 591 L CB 0.555 42.707 42.059 0.155 0.000 1.141 591 L HN -0.034 nan 8.230 nan 0.000 0.494 592 T N 0.723 115.417 114.554 0.233 0.000 2.815 592 T HA 0.305 4.661 4.350 0.009 0.000 0.289 592 T C -0.537 174.297 174.700 0.224 0.000 1.000 592 T CA -0.373 61.886 62.100 0.265 0.000 0.958 592 T CB 0.739 69.708 68.868 0.168 0.000 0.944 592 T HN 0.265 nan 8.240 nan 0.000 0.442 593 F N 3.777 123.802 119.950 0.124 0.000 2.553 593 F HA 0.303 4.835 4.527 0.009 0.000 0.356 593 F C 0.666 176.520 175.800 0.090 0.000 1.142 593 F CA 0.425 58.482 58.000 0.094 0.000 1.322 593 F CB 0.578 39.631 39.000 0.089 0.000 1.126 593 F HN 0.341 nan 8.300 nan 0.000 0.599 594 V N 3.344 122.770 119.914 -0.813 0.000 3.103 594 V HA 0.496 4.622 4.120 0.009 0.000 0.229 594 V C 0.734 176.388 176.094 -0.733 0.000 1.304 594 V CA 0.532 62.528 62.300 -0.507 0.000 1.298 594 V CB 0.294 31.960 31.823 -0.262 0.000 1.093 594 V HN 1.091 nan 8.190 nan 0.000 0.489 595 G N -0.759 107.351 108.800 -1.151 0.000 2.430 595 G HA2 0.537 4.503 3.960 0.009 0.000 0.300 595 G HA3 0.537 4.503 3.960 0.009 0.000 0.300 595 G C -2.310 172.201 174.900 -0.648 0.000 1.330 595 G CA -0.128 44.507 45.100 -0.776 0.000 0.813 595 G HN 0.018 nan 8.290 nan 0.000 0.487 596 V N -0.234 119.333 119.914 -0.578 0.000 2.888 596 V HA 0.765 4.890 4.120 0.009 0.000 0.309 596 V C -0.301 175.689 176.094 -0.174 0.000 1.114 596 V CA -0.529 61.520 62.300 -0.418 0.000 0.940 596 V CB 1.935 33.336 31.823 -0.703 0.000 1.021 596 V HN 1.508 nan 8.190 nan 0.000 0.426 597 V N 1.018 120.929 119.914 -0.005 0.000 2.735 597 V HA 1.064 5.190 4.120 0.009 0.000 0.310 597 V C -0.012 176.176 176.094 0.156 0.000 1.061 597 V CA -0.355 61.988 62.300 0.072 0.000 0.913 597 V CB 1.800 33.617 31.823 -0.011 0.000 1.005 597 V HN 1.077 nan 8.190 nan 0.000 0.428 598 G N 5.275 114.145 108.800 0.116 0.000 2.626 598 G HA2 0.682 4.648 3.960 0.009 0.000 0.304 598 G HA3 0.682 4.648 3.960 0.009 0.000 0.304 598 G C -0.771 174.096 174.900 -0.055 0.000 1.385 598 G CA -0.811 44.344 45.100 0.091 0.000 0.957 598 G HN 1.271 nan 8.290 nan 0.000 0.504 599 M N 1.612 121.200 119.600 -0.020 0.000 2.662 599 M HA 0.885 5.371 4.480 0.009 0.000 0.310 599 M C -1.722 174.549 176.300 -0.048 0.000 1.204 599 M CA -1.205 54.063 55.300 -0.052 0.000 0.891 599 M CB 2.609 35.187 32.600 -0.037 0.000 1.732 599 M HN 0.345 nan 8.290 nan 0.000 0.467 600 L N 1.631 122.813 121.223 -0.068 0.000 2.362 600 L HA 0.636 4.981 4.340 0.009 0.000 0.271 600 L C -1.694 175.141 176.870 -0.058 0.000 1.002 600 L CA 0.082 54.885 54.840 -0.060 0.000 0.818 600 L CB 2.031 44.044 42.059 -0.077 0.000 1.298 600 L HN 0.860 nan 8.230 nan 0.000 0.420 601 D N 6.021 126.397 120.400 -0.039 0.000 2.461 601 D HA 0.430 5.076 4.640 0.009 0.000 0.240 601 D C -2.675 173.605 176.300 -0.033 0.000 1.094 601 D CA -2.020 51.959 54.000 -0.034 0.000 0.868 601 D CB 1.426 42.217 40.800 -0.015 0.000 1.062 601 D HN 0.250 nan 8.370 nan 0.000 0.530 602 P HA 0.254 nan 4.420 nan 0.000 0.276 602 P C -2.576 174.707 177.300 -0.028 0.000 1.230 602 P CA -1.600 61.478 63.100 -0.037 0.000 0.776 602 P CB 0.212 31.887 31.700 -0.042 0.000 0.888 603 P HA -0.008 nan 4.420 nan 0.000 0.253 603 P C 0.330 177.620 177.300 -0.017 0.000 1.170 603 P CA 0.306 63.388 63.100 -0.031 0.000 0.806 603 P CB -0.097 31.581 31.700 -0.037 0.000 0.775 604 R N 4.169 124.665 120.500 -0.006 0.000 2.669 604 R HA -0.201 4.145 4.340 0.009 0.000 0.283 604 R C 1.257 177.568 176.300 0.018 0.000 0.851 604 R CA 0.981 57.089 56.100 0.014 0.000 1.126 604 R CB -0.065 30.255 30.300 0.033 0.000 0.883 604 R HN 0.383 nan 8.270 nan 0.000 0.418 605 K N 3.006 123.416 120.400 0.016 0.000 2.207 605 K HA -0.280 4.046 4.320 0.009 0.000 0.208 605 K C 0.847 177.462 176.600 0.026 0.000 1.046 605 K CA 2.508 58.804 56.287 0.016 0.000 0.929 605 K CB 0.006 32.515 32.500 0.015 0.000 0.720 605 K HN 0.654 nan 8.250 nan 0.000 0.463 606 E N -0.230 119.995 120.200 0.041 0.000 2.452 606 E HA -0.064 4.292 4.350 0.009 0.000 0.197 606 E C 1.802 178.454 176.600 0.087 0.000 1.022 606 E CA 0.427 56.861 56.400 0.056 0.000 0.890 606 E CB 0.201 29.935 29.700 0.057 0.000 0.918 606 E HN 0.234 nan 8.360 nan 0.000 0.496 607 V N -1.105 118.862 119.914 0.088 0.000 2.295 607 V HA -0.286 3.839 4.120 0.009 0.000 0.246 607 V C 2.182 178.315 176.094 0.064 0.000 1.049 607 V CA 1.436 63.801 62.300 0.109 0.000 1.024 607 V CB -0.505 31.309 31.823 -0.014 0.000 0.648 607 V HN 0.204 nan 8.190 nan 0.000 0.447 608 M N 1.570 121.183 119.600 0.020 0.000 2.103 608 M HA -0.183 4.303 4.480 0.009 0.000 0.255 608 M C 2.165 178.484 176.300 0.032 0.000 1.074 608 M CA 2.668 57.973 55.300 0.009 0.000 1.090 608 M CB -1.589 31.013 32.600 0.004 0.000 1.325 608 M HN 0.600 nan 8.290 nan 0.000 0.403 609 G N -1.684 107.142 108.800 0.044 0.000 2.394 609 G HA2 -0.147 3.819 3.960 0.009 0.000 0.214 609 G HA3 -0.147 3.819 3.960 0.009 0.000 0.214 609 G C 1.594 176.534 174.900 0.065 0.000 1.176 609 G CA 0.949 46.076 45.100 0.045 0.000 0.786 609 G HN 0.501 nan 8.290 nan 0.000 0.533 610 S N 0.467 116.227 115.700 0.101 0.000 2.370 610 S HA -0.088 4.388 4.470 0.009 0.000 0.226 610 S C 2.294 177.008 174.600 0.190 0.000 1.033 610 S CA 0.990 59.270 58.200 0.134 0.000 1.011 610 S CB -0.250 63.067 63.200 0.195 0.000 0.852 610 S HN 0.379 nan 8.310 nan 0.000 0.457 611 I N 1.154 121.855 120.570 0.218 0.000 2.179 611 I HA -0.223 3.953 4.170 0.009 0.000 0.242 611 I C 2.744 178.912 176.117 0.084 0.000 1.088 611 I CA 1.261 62.658 61.300 0.162 0.000 1.357 611 I CB -0.396 37.628 38.000 0.040 0.000 1.051 611 I HN 0.266 nan 8.210 nan 0.000 0.409 612 Q N 1.207 121.041 119.800 0.057 0.000 2.112 612 Q HA -0.241 4.105 4.340 0.009 0.000 0.206 612 Q C 2.066 178.090 176.000 0.040 0.000 0.987 612 Q CA 1.872 57.698 55.803 0.039 0.000 0.858 612 Q CB -0.580 28.176 28.738 0.030 0.000 0.905 612 Q HN 0.415 nan 8.270 nan 0.000 0.420 613 L N -0.636 120.614 121.223 0.045 0.000 2.042 613 L HA -0.221 4.124 4.340 0.009 0.000 0.210 613 L C 2.326 179.213 176.870 0.030 0.000 1.076 613 L CA 1.666 56.524 54.840 0.031 0.000 0.749 613 L CB -0.591 41.481 42.059 0.021 0.000 0.893 613 L HN 0.379 nan 8.230 nan 0.000 0.432 614 C N -1.223 118.106 119.300 0.048 0.000 2.429 614 C HA -0.110 4.356 4.460 0.009 0.000 0.277 614 C C 2.787 177.800 174.990 0.039 0.000 1.262 614 C CA 0.159 59.206 59.018 0.048 0.000 1.733 614 C CB -1.050 26.743 27.740 0.089 0.000 2.010 614 C HN 0.462 nan 8.230 nan 0.000 0.483 615 R N 1.432 121.955 120.500 0.038 0.000 2.112 615 R HA -0.137 4.209 4.340 0.009 0.000 0.242 615 R C 1.549 177.864 176.300 0.025 0.000 1.137 615 R CA 1.809 57.926 56.100 0.029 0.000 0.944 615 R CB -1.202 29.114 30.300 0.026 0.000 0.857 615 R HN 0.563 nan 8.270 nan 0.000 0.435 616 D N 0.086 120.500 120.400 0.023 0.000 2.219 616 D HA -0.071 4.575 4.640 0.009 0.000 0.205 616 D C 1.446 177.757 176.300 0.018 0.000 0.970 616 D CA 1.303 55.315 54.000 0.020 0.000 0.851 616 D CB -0.133 40.678 40.800 0.019 0.000 0.943 616 D HN 0.260 nan 8.370 nan 0.000 0.488 617 A N -0.130 122.701 122.820 0.018 0.000 2.238 617 A HA 0.402 4.728 4.320 0.009 0.000 0.208 617 A C 1.672 179.266 177.584 0.015 0.000 1.177 617 A CA 0.854 52.900 52.037 0.014 0.000 0.804 617 A CB -0.300 18.705 19.000 0.008 0.000 0.823 617 A HN 0.215 nan 8.150 nan 0.000 0.482 618 G N -0.469 108.342 108.800 0.019 0.000 2.246 618 G HA2 -0.222 3.744 3.960 0.009 0.000 0.273 618 G HA3 -0.222 3.744 3.960 0.009 0.000 0.273 618 G C -0.104 174.809 174.900 0.021 0.000 1.055 618 G CA 0.457 45.569 45.100 0.020 0.000 0.851 618 G HN 0.514 nan 8.290 nan 0.000 0.500 619 I N 0.300 120.885 120.570 0.025 0.000 2.362 619 I HA 0.387 4.562 4.170 0.009 0.000 0.289 619 I C 0.963 177.105 176.117 0.041 0.000 0.994 619 I CA -0.961 60.357 61.300 0.030 0.000 1.158 619 I CB 1.269 39.285 38.000 0.027 0.000 1.315 619 I HN 0.003 nan 8.210 nan 0.000 0.451 620 R N 4.015 124.540 120.500 0.042 0.000 2.543 620 R HA 0.421 4.767 4.340 0.009 0.000 0.277 620 R C -0.673 175.663 176.300 0.060 0.000 1.074 620 R CA -0.302 55.824 56.100 0.044 0.000 1.076 620 R CB 1.813 32.141 30.300 0.046 0.000 0.993 620 R HN 0.433 nan 8.270 nan 0.000 0.459 621 V N 5.223 125.163 119.914 0.043 0.000 2.531 621 V HA 0.497 4.623 4.120 0.009 0.000 0.301 621 V C -0.767 175.322 176.094 -0.009 0.000 1.034 621 V CA -0.671 61.660 62.300 0.053 0.000 0.865 621 V CB 1.564 33.428 31.823 0.068 0.000 0.995 621 V HN 0.601 nan 8.190 nan 0.000 0.424 622 I N 7.399 127.982 120.570 0.023 0.000 2.389 622 I HA 0.448 4.624 4.170 0.009 0.000 0.288 622 I C -0.055 176.067 176.117 0.007 0.000 0.999 622 I CA -0.369 60.949 61.300 0.030 0.000 1.129 622 I CB 1.841 39.917 38.000 0.127 0.000 1.288 622 I HN 0.578 nan 8.210 nan 0.000 0.444 623 M N 7.590 127.167 119.600 -0.038 0.000 2.108 623 M HA 0.509 4.995 4.480 0.009 0.000 0.354 623 M C -1.165 175.160 176.300 0.041 0.000 1.229 623 M CA -0.344 54.926 55.300 -0.051 0.000 1.081 623 M CB 0.712 33.240 32.600 -0.120 0.000 1.606 623 M HN 0.484 nan 8.290 nan 0.000 0.467 624 I N 3.976 124.572 120.570 0.043 0.000 2.336 624 I HA 0.396 4.572 4.170 0.009 0.000 0.292 624 I C 0.019 176.162 176.117 0.043 0.000 0.991 624 I CA -0.250 61.093 61.300 0.072 0.000 1.227 624 I CB 1.959 39.983 38.000 0.040 0.000 1.366 624 I HN 0.633 nan 8.210 nan 0.000 0.466 625 T N 2.725 117.315 114.554 0.060 0.000 2.853 625 T HA 0.433 4.789 4.350 0.009 0.000 0.311 625 T C 0.609 175.345 174.700 0.060 0.000 1.307 625 T CA -0.317 61.809 62.100 0.044 0.000 1.019 625 T CB 1.634 70.517 68.868 0.026 0.000 1.264 625 T HN 0.701 nan 8.240 nan 0.000 0.497 626 G N 1.390 110.221 108.800 0.052 0.000 2.985 626 G HA2 0.158 4.123 3.960 0.009 0.000 0.209 626 G HA3 0.158 4.123 3.960 0.009 0.000 0.209 626 G C 0.266 175.206 174.900 0.065 0.000 1.165 626 G CA -0.129 45.009 45.100 0.063 0.000 0.776 626 G HN 0.743 nan 8.290 nan 0.000 0.541 627 D N 1.384 121.817 120.400 0.056 0.000 2.419 627 D HA -0.005 4.640 4.640 0.009 0.000 0.236 627 D C 0.635 176.976 176.300 0.068 0.000 1.165 627 D CA 0.114 54.148 54.000 0.057 0.000 0.882 627 D CB 0.727 41.554 40.800 0.045 0.000 1.201 627 D HN 0.337 nan 8.370 nan 0.000 0.443 628 N N 0.416 119.157 118.700 0.070 0.000 2.453 628 N HA -0.090 4.656 4.740 0.009 0.000 0.253 628 N C 0.651 176.196 175.510 0.058 0.000 1.252 628 N CA -0.175 52.917 53.050 0.070 0.000 0.917 628 N CB 0.890 39.419 38.487 0.071 0.000 1.117 628 N HN 0.333 nan 8.380 nan 0.000 0.442 629 K N 1.218 121.650 120.400 0.053 0.000 2.074 629 K HA -0.176 4.150 4.320 0.009 0.000 0.209 629 K C 1.779 178.397 176.600 0.030 0.000 1.048 629 K CA 1.805 58.115 56.287 0.037 0.000 0.926 629 K CB -0.870 31.645 32.500 0.024 0.000 0.713 629 K HN 0.770 nan 8.250 nan 0.000 0.444 630 G N 0.005 108.824 108.800 0.032 0.000 2.491 630 G HA2 -0.293 3.673 3.960 0.009 0.000 0.218 630 G HA3 -0.293 3.673 3.960 0.009 0.000 0.218 630 G C 1.428 176.352 174.900 0.041 0.000 1.180 630 G CA 1.658 46.776 45.100 0.031 0.000 0.774 630 G HN 0.375 nan 8.290 nan 0.000 0.562 631 T N 1.504 116.087 114.554 0.050 0.000 2.857 631 T HA 0.164 4.519 4.350 0.009 0.000 0.266 631 T C 2.810 177.536 174.700 0.043 0.000 1.048 631 T CA 1.284 63.415 62.100 0.051 0.000 1.139 631 T CB -0.366 68.535 68.868 0.056 0.000 0.874 631 T HN 0.409 nan 8.240 nan 0.000 0.455 632 A N 1.692 124.538 122.820 0.043 0.000 1.884 632 A HA -0.134 4.192 4.320 0.009 0.000 0.219 632 A C 2.260 179.877 177.584 0.055 0.000 1.197 632 A CA 1.620 53.680 52.037 0.037 0.000 0.637 632 A CB -0.938 18.086 19.000 0.041 0.000 0.827 632 A HN 0.528 nan 8.150 nan 0.000 0.450 633 I N -0.526 120.093 120.570 0.082 0.000 2.226 633 I HA -0.259 3.916 4.170 0.009 0.000 0.245 633 I C 2.963 179.163 176.117 0.138 0.000 1.100 633 I CA 0.907 62.300 61.300 0.155 0.000 1.374 633 I CB -0.400 37.648 38.000 0.080 0.000 1.057 633 I HN 0.393 nan 8.210 nan 0.000 0.413 634 A N 1.447 124.313 122.820 0.076 0.000 1.841 634 A HA -0.208 4.117 4.320 0.009 0.000 0.216 634 A C 2.285 179.895 177.584 0.042 0.000 1.199 634 A CA 1.699 53.772 52.037 0.059 0.000 0.621 634 A CB -1.030 17.999 19.000 0.048 0.000 0.835 634 A HN 0.337 nan 8.150 nan 0.000 0.445 635 I N -0.423 120.160 120.570 0.022 0.000 2.181 635 I HA -0.413 3.762 4.170 0.009 0.000 0.247 635 I C 2.570 178.665 176.117 -0.038 0.000 1.081 635 I CA 1.469 62.763 61.300 -0.011 0.000 1.340 635 I CB -0.523 37.465 38.000 -0.021 0.000 1.036 635 I HN 0.428 nan 8.210 nan 0.000 0.417 636 C N 0.342 119.618 119.300 -0.040 0.000 2.425 636 C HA -0.131 4.335 4.460 0.009 0.000 0.277 636 C C 2.932 177.879 174.990 -0.073 0.000 1.280 636 C CA 0.809 59.744 59.018 -0.139 0.000 1.744 636 C CB -1.176 26.415 27.740 -0.249 0.000 1.989 636 C HN 0.419 nan 8.230 nan 0.000 0.491 637 R N 0.378 120.916 120.500 0.064 0.000 2.070 637 R HA -0.134 4.211 4.340 0.009 0.000 0.233 637 R C 2.409 178.722 176.300 0.023 0.000 1.137 637 R CA 1.500 57.652 56.100 0.086 0.000 0.945 637 R CB -0.469 29.891 30.300 0.099 0.000 0.845 637 R HN 0.514 nan 8.270 nan 0.000 0.430 638 R N 1.727 122.231 120.500 0.007 0.000 2.117 638 R HA -0.143 4.202 4.340 0.009 0.000 0.243 638 R C 2.047 178.332 176.300 -0.025 0.000 1.143 638 R CA 1.902 57.997 56.100 -0.008 0.000 0.968 638 R CB -0.279 30.013 30.300 -0.012 0.000 0.863 638 R HN 0.447 nan 8.270 nan 0.000 0.444 639 I N -4.118 116.422 120.570 -0.050 0.000 3.956 639 I HA 0.441 4.616 4.170 0.009 0.000 0.333 639 I C 0.772 176.848 176.117 -0.069 0.000 1.302 639 I CA 0.440 61.699 61.300 -0.068 0.000 1.122 639 I CB 0.823 38.757 38.000 -0.110 0.000 1.013 639 I HN 0.295 nan 8.210 nan 0.000 0.405 640 G N 2.058 110.824 108.800 -0.057 0.000 2.131 640 G HA2 -0.253 3.713 3.960 0.009 0.000 0.223 640 G HA3 -0.253 3.713 3.960 0.009 0.000 0.223 640 G C 0.596 175.450 174.900 -0.078 0.000 0.990 640 G CA 0.404 45.480 45.100 -0.039 0.000 0.671 640 G HN 0.479 nan 8.290 nan 0.000 0.521 641 I N -0.704 119.757 120.570 -0.181 0.000 2.315 641 I HA 0.167 4.342 4.170 0.009 0.000 0.248 641 I C 1.088 177.006 176.117 -0.332 0.000 1.117 641 I CA 1.069 62.170 61.300 -0.332 0.000 1.404 641 I CB -0.048 37.617 38.000 -0.558 0.000 1.071 641 I HN 0.242 nan 8.210 nan 0.000 0.419 642 F N -0.104 119.826 119.950 -0.034 0.000 2.480 642 F HA 0.473 5.006 4.527 0.009 0.000 0.329 642 F C 0.981 176.766 175.800 -0.026 0.000 1.091 642 F CA -1.267 56.713 58.000 -0.033 0.000 0.972 642 F CB 1.176 40.151 39.000 -0.042 0.000 1.150 642 F HN -0.181 nan 8.300 nan 0.000 0.467 643 G N 1.365 110.283 108.800 0.196 0.000 2.391 643 G HA2 -0.055 3.911 3.960 0.009 0.000 0.234 643 G HA3 -0.055 3.911 3.960 0.009 0.000 0.234 643 G C 0.744 175.691 174.900 0.078 0.000 1.284 643 G CA -0.259 44.898 45.100 0.095 0.000 0.873 643 G HN 0.898 nan 8.290 nan 0.000 0.549 644 E N 1.046 121.275 120.200 0.049 0.000 2.301 644 E HA -0.196 4.160 4.350 0.009 0.000 0.202 644 E C 0.766 177.378 176.600 0.019 0.000 1.017 644 E CA 1.057 57.477 56.400 0.034 0.000 0.831 644 E CB 0.213 29.925 29.700 0.020 0.000 0.742 644 E HN 0.523 nan 8.360 nan 0.000 0.491 645 N N -0.126 118.580 118.700 0.009 0.000 2.193 645 N HA 0.001 4.747 4.740 0.009 0.000 0.236 645 N C -1.130 174.358 175.510 -0.035 0.000 1.347 645 N CA 0.058 53.100 53.050 -0.013 0.000 0.812 645 N CB 0.735 39.215 38.487 -0.011 0.000 1.297 645 N HN 0.236 nan 8.380 nan 0.000 0.499 646 E N -0.058 120.117 120.200 -0.041 0.000 2.314 646 E HA 0.264 4.620 4.350 0.009 0.000 0.262 646 E C -0.355 176.153 176.600 -0.153 0.000 1.093 646 E CA -0.517 55.839 56.400 -0.074 0.000 0.908 646 E CB 1.020 30.695 29.700 -0.041 0.000 1.091 646 E HN -0.173 nan 8.360 nan 0.000 0.425 647 E N 0.918 121.029 120.200 -0.149 0.000 2.324 647 E HA 0.070 4.425 4.350 0.009 0.000 0.271 647 E C 0.108 176.525 176.600 -0.305 0.000 1.028 647 E CA 0.111 56.399 56.400 -0.186 0.000 0.890 647 E CB 1.539 31.162 29.700 -0.128 0.000 1.004 647 E HN 0.532 nan 8.360 nan 0.000 0.431 648 V N 0.091 119.777 119.914 -0.380 0.000 3.415 648 V HA 0.334 4.460 4.120 0.009 0.000 0.315 648 V C 1.236 177.078 176.094 -0.421 0.000 1.516 648 V CA 0.349 62.292 62.300 -0.595 0.000 1.122 648 V CB 0.223 31.393 31.823 -1.087 0.000 0.988 648 V HN 0.502 nan 8.190 nan 0.000 0.474 649 A N 2.712 125.361 122.820 -0.287 0.000 1.842 649 A HA -0.256 4.070 4.320 0.009 0.000 0.217 649 A C 1.765 179.165 177.584 -0.306 0.000 1.206 649 A CA 2.453 54.344 52.037 -0.243 0.000 0.630 649 A CB -0.917 17.984 19.000 -0.164 0.000 0.839 649 A HN 0.828 nan 8.150 nan 0.000 0.447 650 D N -0.683 119.573 120.400 -0.239 0.000 2.355 650 D HA -0.040 4.605 4.640 0.009 0.000 0.253 650 D C 1.090 177.245 176.300 -0.242 0.000 1.187 650 D CA 0.306 54.178 54.000 -0.214 0.000 0.900 650 D CB -0.325 40.441 40.800 -0.057 0.000 0.915 650 D HN 0.652 nan 8.370 nan 0.000 0.516 651 R N -0.429 119.868 120.500 -0.339 0.000 2.469 651 R HA 0.457 4.803 4.340 0.009 0.000 0.250 651 R C 0.316 176.521 176.300 -0.158 0.000 0.909 651 R CA -0.102 55.905 56.100 -0.155 0.000 1.050 651 R CB 1.141 31.370 30.300 -0.118 0.000 1.256 651 R HN 0.116 nan 8.270 nan 0.000 0.550 652 A N 1.003 123.564 122.820 -0.431 0.000 2.427 652 A HA 0.691 5.017 4.320 0.009 0.000 0.298 652 A C -1.687 175.523 177.584 -0.622 0.000 1.036 652 A CA -0.553 51.273 52.037 -0.352 0.000 0.701 652 A CB 1.010 19.955 19.000 -0.092 0.000 1.250 652 A HN 0.145 nan 8.150 nan 0.000 0.412 653 Y N 0.596 120.709 120.300 -0.313 0.000 2.462 653 Y HA 0.551 5.107 4.550 0.009 0.000 0.346 653 Y C 1.138 177.010 175.900 -0.047 0.000 0.976 653 Y CA -0.321 57.685 58.100 -0.158 0.000 1.044 653 Y CB 2.217 40.595 38.460 -0.138 0.000 1.230 653 Y HN 0.807 nan 8.280 nan 0.000 0.455 654 T N -1.943 112.724 114.554 0.188 0.000 2.813 654 T HA 0.231 4.586 4.350 0.009 0.000 0.297 654 T C 1.392 176.248 174.700 0.261 0.000 1.036 654 T CA -0.068 62.148 62.100 0.194 0.000 1.044 654 T CB 1.171 70.132 68.868 0.154 0.000 0.993 654 T HN 0.882 nan 8.240 nan 0.000 0.535 655 G N 0.448 109.398 108.800 0.250 0.000 2.432 655 G HA2 -0.208 3.758 3.960 0.009 0.000 0.219 655 G HA3 -0.208 3.758 3.960 0.009 0.000 0.219 655 G C 1.627 176.734 174.900 0.345 0.000 1.135 655 G CA 0.710 45.988 45.100 0.297 0.000 0.767 655 G HN 0.785 nan 8.290 nan 0.000 0.550 656 R N 0.676 121.332 120.500 0.260 0.000 2.073 656 R HA 0.061 4.406 4.340 0.009 0.000 0.229 656 R C 2.326 178.752 176.300 0.210 0.000 1.120 656 R CA 1.648 57.879 56.100 0.218 0.000 0.967 656 R CB -0.447 29.947 30.300 0.156 0.000 0.862 656 R HN 0.430 nan 8.270 nan 0.000 0.436 657 E N -0.544 119.793 120.200 0.229 0.000 2.077 657 E HA -0.203 4.152 4.350 0.009 0.000 0.193 657 E C 1.707 178.460 176.600 0.254 0.000 0.989 657 E CA 1.460 58.007 56.400 0.244 0.000 0.800 657 E CB -0.261 29.630 29.700 0.318 0.000 0.746 657 E HN 0.343 nan 8.360 nan 0.000 0.452 658 F N 1.702 121.693 119.950 0.068 0.000 2.091 658 F HA -0.289 4.244 4.527 0.009 0.000 0.299 658 F C 1.897 177.692 175.800 -0.009 0.000 1.103 658 F CA 1.291 59.252 58.000 -0.066 0.000 1.228 658 F CB 0.164 39.077 39.000 -0.145 0.000 0.984 658 F HN -0.024 nan 8.300 nan 0.000 0.477 659 D N 0.375 120.872 120.400 0.161 0.000 2.117 659 D HA -0.179 4.467 4.640 0.009 0.000 0.197 659 D C 1.752 178.063 176.300 0.018 0.000 0.987 659 D CA 1.442 55.506 54.000 0.107 0.000 0.829 659 D CB -0.596 40.332 40.800 0.214 0.000 0.961 659 D HN 0.315 nan 8.370 nan 0.000 0.460 660 D N 0.208 120.633 120.400 0.042 0.000 2.311 660 D HA -0.095 4.551 4.640 0.009 0.000 0.212 660 D C 0.653 176.937 176.300 -0.027 0.000 0.972 660 D CA 0.325 54.337 54.000 0.020 0.000 0.887 660 D CB -0.015 40.813 40.800 0.047 0.000 0.915 660 D HN 0.285 nan 8.370 nan 0.000 0.497 661 L N 2.603 123.773 121.223 -0.089 0.000 2.367 661 L HA 0.182 4.527 4.340 0.009 0.000 0.275 661 L C -1.902 174.877 176.870 -0.151 0.000 1.129 661 L CA -1.745 53.012 54.840 -0.138 0.000 0.839 661 L CB 0.282 42.198 42.059 -0.238 0.000 1.133 661 L HN -0.223 nan 8.230 nan 0.000 0.453 662 P HA -0.038 nan 4.420 nan 0.000 0.268 662 P C 0.846 178.065 177.300 -0.135 0.000 1.208 662 P CA -0.400 62.645 63.100 -0.092 0.000 0.777 662 P CB 0.819 32.483 31.700 -0.061 0.000 0.875 663 L N 2.787 123.954 121.223 -0.093 0.000 2.011 663 L HA -0.324 4.022 4.340 0.009 0.000 0.225 663 L C 2.640 179.421 176.870 -0.147 0.000 1.084 663 L CA 3.125 57.922 54.840 -0.073 0.000 0.791 663 L CB -1.838 40.226 42.059 0.008 0.000 0.898 663 L HN 0.524 nan 8.230 nan 0.000 0.440 664 A N -1.661 121.097 122.820 -0.103 0.000 1.933 664 A HA -0.256 4.069 4.320 0.009 0.000 0.218 664 A C 2.316 179.814 177.584 -0.144 0.000 1.175 664 A CA 1.870 53.845 52.037 -0.103 0.000 0.628 664 A CB -0.572 18.398 19.000 -0.050 0.000 0.814 664 A HN 0.531 nan 8.150 nan 0.000 0.444 665 E N -0.954 119.158 120.200 -0.146 0.000 2.208 665 E HA -0.171 4.184 4.350 0.009 0.000 0.193 665 E C 2.173 178.640 176.600 -0.222 0.000 0.988 665 E CA 0.857 57.178 56.400 -0.132 0.000 0.828 665 E CB -0.054 29.586 29.700 -0.100 0.000 0.763 665 E HN 0.759 nan 8.360 nan 0.000 0.478 666 Q N 0.197 119.770 119.800 -0.379 0.000 2.016 666 Q HA -0.188 4.157 4.340 0.009 0.000 0.200 666 Q C 2.207 177.795 176.000 -0.686 0.000 0.978 666 Q CA 1.527 56.960 55.803 -0.617 0.000 0.833 666 Q CB -0.014 28.242 28.738 -0.804 0.000 0.895 666 Q HN 0.077 nan 8.270 nan 0.000 0.427 667 R N 0.471 120.405 120.500 -0.945 0.000 2.097 667 R HA -0.246 4.100 4.340 0.009 0.000 0.236 667 R C 1.967 178.232 176.300 -0.058 0.000 1.135 667 R CA 2.081 57.706 56.100 -0.792 0.000 0.934 667 R CB -0.168 29.885 30.300 -0.412 0.000 0.846 667 R HN 0.165 nan 8.270 nan 0.000 0.431 668 E N -0.362 119.844 120.200 0.010 0.000 2.160 668 E HA -0.158 4.197 4.350 0.009 0.000 0.195 668 E C 1.730 178.361 176.600 0.051 0.000 0.991 668 E CA 1.394 57.856 56.400 0.104 0.000 0.810 668 E CB -0.107 29.623 29.700 0.049 0.000 0.742 668 E HN 0.529 nan 8.360 nan 0.000 0.466 669 A N -0.310 122.519 122.820 0.016 0.000 1.933 669 A HA -0.212 4.114 4.320 0.009 0.000 0.218 669 A C 2.300 179.983 177.584 0.166 0.000 1.175 669 A CA 1.444 53.517 52.037 0.060 0.000 0.628 669 A CB -0.716 18.182 19.000 -0.170 0.000 0.814 669 A HN 0.474 nan 8.150 nan 0.000 0.444 670 C N -0.352 119.087 119.300 0.232 0.000 2.448 670 C HA 0.010 4.475 4.460 0.009 0.000 0.280 670 C C 2.558 177.665 174.990 0.194 0.000 1.398 670 C CA 0.745 59.954 59.018 0.318 0.000 1.774 670 C CB -1.285 26.713 27.740 0.430 0.000 1.888 670 C HN 0.778 nan 8.230 nan 0.000 0.519 671 R N 1.010 121.524 120.500 0.024 0.000 2.323 671 R HA 0.057 4.403 4.340 0.009 0.000 0.198 671 R C 1.828 178.066 176.300 -0.104 0.000 0.988 671 R CA 0.944 56.904 56.100 -0.233 0.000 1.041 671 R CB -0.224 29.522 30.300 -0.924 0.000 0.926 671 R HN 0.514 nan 8.270 nan 0.000 0.476 672 R N 0.124 120.625 120.500 0.003 0.000 2.573 672 R HA 0.301 4.647 4.340 0.009 0.000 0.224 672 R C -0.115 176.235 176.300 0.083 0.000 0.904 672 R CA 0.454 56.573 56.100 0.032 0.000 0.995 672 R CB 0.549 30.870 30.300 0.035 0.000 1.430 672 R HN 0.176 nan 8.270 nan 0.000 0.631 673 A N 0.124 123.014 122.820 0.116 0.000 2.498 673 A HA 0.210 4.536 4.320 0.009 0.000 0.239 673 A C 0.422 178.045 177.584 0.064 0.000 1.068 673 A CA -0.107 51.973 52.037 0.071 0.000 0.766 673 A CB 0.417 19.397 19.000 -0.033 0.000 1.003 673 A HN 0.580 nan 8.150 nan 0.000 0.497 674 C N 0.218 119.536 119.300 0.030 0.000 3.724 674 C HA 0.410 4.875 4.460 0.009 0.000 0.327 674 C C 0.389 175.314 174.990 -0.108 0.000 1.490 674 C CA -0.009 58.986 59.018 -0.037 0.000 1.825 674 C CB -1.156 26.503 27.740 -0.135 0.000 2.613 674 C HN 0.942 nan 8.230 nan 0.000 0.692 675 C N 1.196 120.435 119.300 -0.102 0.000 2.832 675 C HA 0.693 5.159 4.460 0.009 0.000 0.383 675 C C -1.723 173.163 174.990 -0.174 0.000 1.046 675 C CA -0.590 58.380 59.018 -0.081 0.000 1.242 675 C CB -0.634 27.078 27.740 -0.047 0.000 1.693 675 C HN 0.389 nan 8.230 nan 0.000 0.497 676 F N 4.524 124.473 119.950 -0.003 0.000 2.467 676 F HA 0.713 5.246 4.527 0.009 0.000 0.336 676 F C 0.592 176.395 175.800 0.004 0.000 1.123 676 F CA -0.046 57.946 58.000 -0.013 0.000 0.964 676 F CB 2.021 40.965 39.000 -0.094 0.000 1.136 676 F HN 0.901 nan 8.300 nan 0.000 0.447 677 A N 3.503 126.437 122.820 0.191 0.000 2.342 677 A HA 0.732 5.058 4.320 0.009 0.000 0.323 677 A C 0.203 177.881 177.584 0.157 0.000 1.125 677 A CA -0.839 51.281 52.037 0.138 0.000 0.785 677 A CB 0.703 19.760 19.000 0.095 0.000 1.221 677 A HN 0.925 nan 8.150 nan 0.000 0.463 678 R N 0.390 120.971 120.500 0.135 0.000 3.422 678 R HA -0.132 4.214 4.340 0.009 0.000 0.267 678 R C -0.242 176.168 176.300 0.184 0.000 1.074 678 R CA 0.475 56.659 56.100 0.139 0.000 0.718 678 R CB -2.214 28.164 30.300 0.130 0.000 1.157 678 R HN 0.504 nan 8.270 nan 0.000 0.440 679 V N 1.299 121.329 119.914 0.192 0.000 2.999 679 V HA -0.035 4.091 4.120 0.009 0.000 0.307 679 V C 1.366 177.602 176.094 0.236 0.000 1.084 679 V CA 0.656 63.127 62.300 0.284 0.000 1.155 679 V CB 1.059 32.969 31.823 0.144 0.000 0.975 679 V HN 0.197 nan 8.190 nan 0.000 0.490 680 E N 4.823 125.180 120.200 0.262 0.000 2.302 680 E HA 0.285 4.640 4.350 0.009 0.000 0.255 680 E C -1.626 174.849 176.600 -0.209 0.000 1.099 680 E CA -1.578 54.735 56.400 -0.145 0.000 0.929 680 E CB 0.270 29.734 29.700 -0.394 0.000 1.203 680 E HN 0.380 nan 8.360 nan 0.000 0.459 681 P HA -0.228 nan 4.420 nan 0.000 0.217 681 P C 1.339 178.549 177.300 -0.150 0.000 1.162 681 P CA 2.046 65.059 63.100 -0.145 0.000 0.901 681 P CB 0.041 31.660 31.700 -0.135 0.000 0.793 682 S N -2.358 113.214 115.700 -0.213 0.000 2.406 682 S HA -0.169 4.306 4.470 0.009 0.000 0.228 682 S C 1.753 176.330 174.600 -0.038 0.000 1.020 682 S CA 0.909 59.033 58.200 -0.127 0.000 0.965 682 S CB -1.585 61.551 63.200 -0.107 0.000 0.798 682 S HN 0.342 nan 8.310 nan 0.000 0.488 683 H N 1.608 120.669 119.070 -0.014 0.000 2.267 683 H HA -0.055 4.507 4.556 0.009 0.000 0.297 683 H C 2.361 177.602 175.328 -0.145 0.000 1.080 683 H CA 1.563 57.584 56.048 -0.044 0.000 1.278 683 H CB -0.133 29.577 29.762 -0.087 0.000 1.365 683 H HN 0.261 nan 8.280 nan 0.000 0.489 684 K N 0.237 120.620 120.400 -0.029 0.000 2.071 684 K HA -0.220 4.105 4.320 0.009 0.000 0.217 684 K C 2.616 179.173 176.600 -0.072 0.000 1.054 684 K CA 1.804 58.039 56.287 -0.087 0.000 0.937 684 K CB -0.305 32.160 32.500 -0.058 0.000 0.719 684 K HN 0.025 nan 8.250 nan 0.000 0.454 685 S N -0.195 115.474 115.700 -0.051 0.000 2.368 685 S HA -0.108 4.368 4.470 0.009 0.000 0.225 685 S C 1.613 176.157 174.600 -0.092 0.000 1.030 685 S CA 1.367 59.530 58.200 -0.062 0.000 0.999 685 S CB -0.073 63.093 63.200 -0.057 0.000 0.844 685 S HN 0.263 nan 8.310 nan 0.000 0.459 686 K N 0.772 121.129 120.400 -0.073 0.000 2.002 686 K HA -0.068 4.258 4.320 0.009 0.000 0.209 686 K C 1.974 178.478 176.600 -0.158 0.000 1.048 686 K CA 1.377 57.562 56.287 -0.170 0.000 0.930 686 K CB -0.400 32.126 32.500 0.042 0.000 0.714 686 K HN 0.305 nan 8.250 nan 0.000 0.438 687 I N 1.202 121.751 120.570 -0.035 0.000 2.185 687 I HA -0.257 3.919 4.170 0.009 0.000 0.246 687 I C 2.375 178.504 176.117 0.021 0.000 1.088 687 I CA 1.428 62.714 61.300 -0.023 0.000 1.347 687 I CB -1.446 36.389 38.000 -0.275 0.000 1.041 687 I HN -0.065 nan 8.210 nan 0.000 0.415 688 V N 0.707 120.598 119.914 -0.038 0.000 2.358 688 V HA -0.221 3.904 4.120 0.009 0.000 0.246 688 V C 2.495 178.577 176.094 -0.019 0.000 1.047 688 V CA 1.557 63.847 62.300 -0.015 0.000 1.035 688 V CB -0.607 31.198 31.823 -0.030 0.000 0.658 688 V HN 0.415 nan 8.190 nan 0.000 0.452 689 E N -0.736 119.403 120.200 -0.101 0.000 2.031 689 E HA -0.227 4.128 4.350 0.009 0.000 0.193 689 E C 2.239 178.810 176.600 -0.049 0.000 0.994 689 E CA 1.799 58.119 56.400 -0.133 0.000 0.800 689 E CB -0.279 29.267 29.700 -0.257 0.000 0.752 689 E HN 0.642 nan 8.360 nan 0.000 0.447 690 Y N 0.526 120.850 120.300 0.039 0.000 2.128 690 Y HA -0.224 4.332 4.550 0.009 0.000 0.284 690 Y C 2.221 178.184 175.900 0.106 0.000 1.154 690 Y CA 0.705 58.835 58.100 0.050 0.000 1.149 690 Y CB -0.776 37.779 38.460 0.157 0.000 0.976 690 Y HN 0.053 nan 8.280 nan 0.000 0.505 691 L N 0.064 121.475 121.223 0.313 0.000 2.043 691 L HA -0.265 4.081 4.340 0.009 0.000 0.212 691 L C 2.314 179.302 176.870 0.197 0.000 1.075 691 L CA 1.747 56.754 54.840 0.278 0.000 0.752 691 L CB -1.315 40.851 42.059 0.180 0.000 0.891 691 L HN 0.311 nan 8.230 nan 0.000 0.432 692 Q N -1.390 118.474 119.800 0.106 0.000 2.224 692 Q HA -0.148 4.198 4.340 0.009 0.000 0.203 692 Q C 2.297 178.314 176.000 0.029 0.000 0.970 692 Q CA 1.444 57.281 55.803 0.057 0.000 0.865 692 Q CB -0.106 28.643 28.738 0.018 0.000 0.922 692 Q HN 0.667 nan 8.270 nan 0.000 0.445 693 S N -0.609 115.081 115.700 -0.017 0.000 2.447 693 S HA -0.149 4.327 4.470 0.009 0.000 0.233 693 S C 1.137 175.607 174.600 -0.215 0.000 1.006 693 S CA 0.736 58.849 58.200 -0.144 0.000 0.957 693 S CB -0.254 62.809 63.200 -0.229 0.000 0.773 693 S HN 0.442 nan 8.310 nan 0.000 0.507 694 Y N 1.613 121.957 120.300 0.074 0.000 2.583 694 Y HA 0.278 4.834 4.550 0.009 0.000 0.294 694 Y C 0.056 175.983 175.900 0.045 0.000 1.170 694 Y CA -0.447 57.688 58.100 0.058 0.000 1.265 694 Y CB -0.047 38.451 38.460 0.064 0.000 1.119 694 Y HN 0.115 nan 8.280 nan 0.000 0.522 695 D N 1.123 121.603 120.400 0.134 0.000 2.772 695 D HA -0.220 4.426 4.640 0.009 0.000 0.233 695 D C -0.425 175.927 176.300 0.087 0.000 1.143 695 D CA 0.880 54.933 54.000 0.088 0.000 0.700 695 D CB -1.078 39.766 40.800 0.074 0.000 1.076 695 D HN 0.506 nan 8.370 nan 0.000 0.430 696 E N -0.056 120.207 120.200 0.105 0.000 2.156 696 E HA 0.281 4.637 4.350 0.009 0.000 0.279 696 E C 0.520 177.152 176.600 0.053 0.000 0.965 696 E CA -0.806 55.644 56.400 0.084 0.000 0.789 696 E CB 0.938 30.705 29.700 0.111 0.000 1.098 696 E HN 0.051 nan 8.360 nan 0.000 0.397 697 I N 3.945 124.533 120.570 0.030 0.000 2.494 697 I HA 0.043 4.218 4.170 0.009 0.000 0.289 697 I C 0.101 176.228 176.117 0.016 0.000 1.106 697 I CA 0.364 61.671 61.300 0.010 0.000 1.369 697 I CB -0.184 37.809 38.000 -0.013 0.000 1.410 697 I HN 0.410 nan 8.210 nan 0.000 0.523 698 T N 6.065 120.630 114.554 0.018 0.000 2.794 698 T HA 0.627 4.983 4.350 0.009 0.000 0.280 698 T C 0.269 174.977 174.700 0.013 0.000 0.987 698 T CA -0.547 61.569 62.100 0.025 0.000 0.993 698 T CB 1.755 70.642 68.868 0.032 0.000 0.939 698 T HN 0.685 nan 8.240 nan 0.000 0.449 699 A N 3.693 126.524 122.820 0.019 0.000 2.292 699 A HA 0.824 5.149 4.320 0.009 0.000 0.319 699 A C -0.401 177.198 177.584 0.025 0.000 1.206 699 A CA -0.742 51.304 52.037 0.015 0.000 0.835 699 A CB 0.631 19.639 19.000 0.014 0.000 1.164 699 A HN 0.795 nan 8.150 nan 0.000 0.505 700 M N 2.294 121.904 119.600 0.016 0.000 2.326 700 M HA 0.516 5.002 4.480 0.009 0.000 0.292 700 M C -0.719 175.590 176.300 0.016 0.000 1.081 700 M CA 0.181 55.490 55.300 0.016 0.000 0.919 700 M CB 2.220 34.820 32.600 0.000 0.000 1.634 700 M HN 0.528 nan 8.290 nan 0.000 0.451 701 T N 3.276 117.845 114.554 0.025 0.000 2.867 701 T HA 0.941 5.297 4.350 0.009 0.000 0.282 701 T C -0.451 174.258 174.700 0.015 0.000 1.000 701 T CA 0.169 62.286 62.100 0.028 0.000 1.042 701 T CB 0.932 69.834 68.868 0.056 0.000 0.973 701 T HN 0.976 nan 8.240 nan 0.000 0.465 702 G N 2.305 111.111 108.800 0.011 0.000 2.559 702 G HA2 0.531 4.497 3.960 0.009 0.000 0.291 702 G HA3 0.531 4.497 3.960 0.009 0.000 0.291 702 G C -2.137 172.766 174.900 0.004 0.000 1.424 702 G CA -0.572 44.530 45.100 0.004 0.000 0.786 702 G HN 0.660 nan 8.290 nan 0.000 0.485 703 D N -1.744 118.656 120.400 -0.000 0.000 2.596 703 D HA 0.706 5.351 4.640 0.009 0.000 0.234 703 D C 0.285 176.579 176.300 -0.009 0.000 1.181 703 D CA 1.183 55.183 54.000 -0.000 0.000 0.856 703 D CB 1.970 42.772 40.800 0.003 0.000 1.498 703 D HN 1.783 nan 8.370 nan 0.000 0.446 704 G N -0.221 108.574 108.800 -0.008 0.000 2.707 704 G HA2 -0.091 3.875 3.960 0.009 0.000 0.686 704 G HA3 -0.091 3.875 3.960 0.009 0.000 0.686 704 G C 0.917 175.806 174.900 -0.019 0.000 1.315 704 G CA -0.078 45.008 45.100 -0.024 0.000 0.832 704 G HN 1.205 nan 8.290 nan 0.000 0.573 705 V N -1.550 118.344 119.914 -0.033 0.000 2.667 705 V HA -0.061 4.065 4.120 0.009 0.000 0.252 705 V C 2.146 178.215 176.094 -0.042 0.000 1.065 705 V CA 2.436 64.725 62.300 -0.017 0.000 1.083 705 V CB -1.042 30.777 31.823 -0.007 0.000 0.692 705 V HN 0.760 nan 8.190 nan 0.000 0.468 706 N N 1.152 119.813 118.700 -0.066 0.000 2.096 706 N HA -0.233 4.512 4.740 0.009 0.000 0.195 706 N C 1.070 176.549 175.510 -0.051 0.000 1.017 706 N CA 1.980 54.986 53.050 -0.072 0.000 0.870 706 N CB -0.225 38.216 38.487 -0.076 0.000 1.024 706 N HN 0.570 nan 8.380 nan 0.000 0.434 707 D N -0.802 119.576 120.400 -0.036 0.000 2.369 707 D HA 0.194 4.840 4.640 0.009 0.000 0.211 707 D C 1.394 177.681 176.300 -0.022 0.000 1.077 707 D CA -0.042 53.941 54.000 -0.028 0.000 0.842 707 D CB 0.068 40.856 40.800 -0.021 0.000 0.947 707 D HN 0.224 nan 8.370 nan 0.000 0.509 708 A N 1.784 124.593 122.820 -0.018 0.000 1.877 708 A HA -0.084 4.242 4.320 0.009 0.000 0.216 708 A C -0.254 177.320 177.584 -0.017 0.000 1.186 708 A CA 1.182 53.213 52.037 -0.010 0.000 0.620 708 A CB -1.306 17.694 19.000 0.000 0.000 0.822 708 A HN 0.150 nan 8.150 nan 0.000 0.443 709 P HA -0.105 nan 4.420 nan 0.000 0.217 709 P C 1.724 179.005 177.300 -0.031 0.000 1.150 709 P CA 1.872 64.956 63.100 -0.027 0.000 0.832 709 P CB -0.116 31.564 31.700 -0.033 0.000 0.787 710 A N -0.233 122.567 122.820 -0.033 0.000 1.877 710 A HA -0.169 4.157 4.320 0.009 0.000 0.216 710 A C 2.179 179.748 177.584 -0.025 0.000 1.186 710 A CA 1.528 53.545 52.037 -0.033 0.000 0.620 710 A CB -1.672 17.307 19.000 -0.036 0.000 0.822 710 A HN 0.112 nan 8.150 nan 0.000 0.443 711 L N -0.908 120.302 121.223 -0.020 0.000 2.141 711 L HA -0.148 4.197 4.340 0.009 0.000 0.209 711 L C 2.592 179.452 176.870 -0.017 0.000 1.094 711 L CA 1.617 56.447 54.840 -0.015 0.000 0.763 711 L CB -0.596 41.456 42.059 -0.011 0.000 0.908 711 L HN 0.447 nan 8.230 nan 0.000 0.437 712 K N 1.114 121.503 120.400 -0.019 0.000 2.002 712 K HA -0.222 4.103 4.320 0.009 0.000 0.209 712 K C 2.222 178.810 176.600 -0.021 0.000 1.048 712 K CA 1.521 57.797 56.287 -0.019 0.000 0.930 712 K CB 0.045 32.534 32.500 -0.019 0.000 0.714 712 K HN 0.066 nan 8.250 nan 0.000 0.438 713 K N 0.367 120.753 120.400 -0.024 0.000 2.044 713 K HA -0.097 4.229 4.320 0.009 0.000 0.210 713 K C 0.358 176.945 176.600 -0.021 0.000 1.049 713 K CA 1.157 57.428 56.287 -0.026 0.000 0.927 713 K CB -0.202 32.277 32.500 -0.035 0.000 0.713 713 K HN 0.230 nan 8.250 nan 0.000 0.443 714 A N 1.083 123.892 122.820 -0.018 0.000 2.477 714 A HA 0.033 4.358 4.320 0.009 0.000 0.246 714 A C 0.546 178.122 177.584 -0.013 0.000 1.078 714 A CA -0.231 51.799 52.037 -0.012 0.000 0.770 714 A CB 0.411 19.406 19.000 -0.009 0.000 1.011 714 A HN 0.307 nan 8.150 nan 0.000 0.494 715 E N 0.765 120.958 120.200 -0.011 0.000 2.147 715 E HA -0.158 4.198 4.350 0.009 0.000 0.199 715 E C 0.263 176.851 176.600 -0.019 0.000 1.005 715 E CA 1.444 57.834 56.400 -0.016 0.000 0.810 715 E CB -0.079 29.611 29.700 -0.016 0.000 0.736 715 E HN 0.571 nan 8.360 nan 0.000 0.460 716 I N 0.603 121.164 120.570 -0.016 0.000 2.495 716 I HA 0.309 4.485 4.170 0.009 0.000 0.277 716 I C 0.416 176.525 176.117 -0.013 0.000 1.045 716 I CA -0.469 60.820 61.300 -0.018 0.000 1.135 716 I CB 0.779 38.766 38.000 -0.021 0.000 1.241 716 I HN -0.115 nan 8.210 nan 0.000 0.469 717 G N 6.710 115.502 108.800 -0.015 0.000 2.432 717 G HA2 0.604 4.570 3.960 0.009 0.000 0.257 717 G HA3 0.604 4.570 3.960 0.009 0.000 0.257 717 G C -0.383 174.511 174.900 -0.010 0.000 1.238 717 G CA -0.237 44.856 45.100 -0.011 0.000 0.838 717 G HN 0.539 nan 8.290 nan 0.000 0.547 718 I N 1.605 122.172 120.570 -0.004 0.000 2.468 718 I HA 0.441 4.617 4.170 0.009 0.000 0.285 718 I C 0.379 176.499 176.117 0.004 0.000 1.039 718 I CA -0.690 60.609 61.300 -0.002 0.000 1.074 718 I CB 1.932 39.934 38.000 0.004 0.000 1.228 718 I HN 0.599 nan 8.210 nan 0.000 0.436 719 A N 7.307 130.127 122.820 0.001 0.000 2.282 719 A HA 0.882 5.208 4.320 0.009 0.000 0.319 719 A C -0.188 177.402 177.584 0.009 0.000 1.121 719 A CA -0.645 51.395 52.037 0.005 0.000 0.836 719 A CB 0.907 19.909 19.000 0.003 0.000 1.146 719 A HN 0.582 nan 8.150 nan 0.000 0.494 720 M N 1.249 120.857 119.600 0.013 0.000 2.274 720 M HA 0.265 4.750 4.480 0.009 0.000 0.344 720 M C 1.543 177.850 176.300 0.011 0.000 1.161 720 M CA -0.388 54.921 55.300 0.015 0.000 1.126 720 M CB 0.253 32.865 32.600 0.020 0.000 1.522 720 M HN 0.861 nan 8.290 nan 0.000 0.461 721 G N 0.916 109.722 108.800 0.010 0.000 2.432 721 G HA2 -0.172 3.794 3.960 0.009 0.000 0.219 721 G HA3 -0.172 3.794 3.960 0.009 0.000 0.219 721 G C 1.235 176.141 174.900 0.010 0.000 1.135 721 G CA 1.183 46.288 45.100 0.008 0.000 0.767 721 G HN 0.761 nan 8.290 nan 0.000 0.550 722 S N 0.246 115.954 115.700 0.013 0.000 2.701 722 S HA 0.421 4.896 4.470 0.009 0.000 0.220 722 S C 1.174 175.783 174.600 0.015 0.000 0.954 722 S CA 0.222 58.431 58.200 0.014 0.000 0.936 722 S CB -0.004 63.205 63.200 0.016 0.000 0.777 722 S HN 0.450 nan 8.310 nan 0.000 0.518 723 G N 1.422 110.231 108.800 0.015 0.000 2.547 723 G HA2 0.472 4.437 3.960 0.009 0.000 0.291 723 G HA3 0.472 4.437 3.960 0.009 0.000 0.291 723 G C 0.069 174.983 174.900 0.023 0.000 1.211 723 G CA -0.219 44.891 45.100 0.016 0.000 0.950 723 G HN 0.480 nan 8.290 nan 0.000 0.504 724 T N -2.330 112.240 114.554 0.027 0.000 2.855 724 T HA 0.347 4.703 4.350 0.009 0.000 0.314 724 T C 1.821 176.560 174.700 0.066 0.000 1.077 724 T CA 0.512 62.642 62.100 0.050 0.000 1.095 724 T CB 1.087 69.985 68.868 0.049 0.000 0.987 724 T HN 1.035 nan 8.240 nan 0.000 0.546 725 A N 2.012 124.892 122.820 0.100 0.000 1.927 725 A HA -0.068 4.258 4.320 0.009 0.000 0.220 725 A C 2.392 180.016 177.584 0.067 0.000 1.185 725 A CA 2.130 54.214 52.037 0.078 0.000 0.639 725 A CB -1.260 17.791 19.000 0.085 0.000 0.820 725 A HN 0.827 nan 8.150 nan 0.000 0.451 726 V N -0.581 119.406 119.914 0.122 0.000 2.346 726 V HA -0.114 4.011 4.120 0.009 0.000 0.244 726 V C 3.008 179.131 176.094 0.050 0.000 1.037 726 V CA 1.602 63.958 62.300 0.095 0.000 1.029 726 V CB -1.378 30.555 31.823 0.183 0.000 0.663 726 V HN 0.605 nan 8.190 nan 0.000 0.454 727 A N -0.121 122.726 122.820 0.045 0.000 1.948 727 A HA -0.297 4.029 4.320 0.009 0.000 0.220 727 A C 2.313 179.904 177.584 0.012 0.000 1.177 727 A CA 2.348 54.397 52.037 0.021 0.000 0.636 727 A CB -0.507 18.503 19.000 0.016 0.000 0.815 727 A HN 0.523 nan 8.150 nan 0.000 0.449 728 K N -0.917 119.492 120.400 0.015 0.000 2.009 728 K HA -0.161 4.164 4.320 0.009 0.000 0.210 728 K C 2.390 178.986 176.600 -0.006 0.000 1.049 728 K CA 2.077 58.366 56.287 0.004 0.000 0.929 728 K CB -0.335 32.169 32.500 0.006 0.000 0.714 728 K HN 0.688 nan 8.250 nan 0.000 0.440 729 T N -1.489 113.062 114.554 -0.005 0.000 2.867 729 T HA -0.014 4.341 4.350 0.009 0.000 0.268 729 T C 1.867 176.557 174.700 -0.016 0.000 1.057 729 T CA 1.036 63.126 62.100 -0.016 0.000 1.136 729 T CB -0.176 68.679 68.868 -0.022 0.000 0.874 729 T HN 0.188 nan 8.240 nan 0.000 0.466 730 A N 1.575 124.390 122.820 -0.008 0.000 2.119 730 A HA 0.270 4.595 4.320 0.009 0.000 0.217 730 A C 1.711 179.287 177.584 -0.014 0.000 1.153 730 A CA 0.744 52.775 52.037 -0.010 0.000 0.692 730 A CB -0.692 18.306 19.000 -0.004 0.000 0.799 730 A HN 0.775 nan 8.150 nan 0.000 0.458 731 S N -0.935 114.757 115.700 -0.014 0.000 2.632 731 S HA 0.441 4.917 4.470 0.009 0.000 0.271 731 S C 0.171 174.758 174.600 -0.022 0.000 1.260 731 S CA -0.240 57.951 58.200 -0.016 0.000 1.010 731 S CB 1.272 64.465 63.200 -0.012 0.000 0.965 731 S HN 0.245 nan 8.310 nan 0.000 0.534 732 E N 0.329 120.515 120.200 -0.023 0.000 2.472 732 E HA 0.330 4.686 4.350 0.009 0.000 0.196 732 E C 0.123 176.704 176.600 -0.032 0.000 1.033 732 E CA 0.145 56.528 56.400 -0.029 0.000 0.886 732 E CB 0.314 29.997 29.700 -0.028 0.000 0.944 732 E HN 0.704 nan 8.360 nan 0.000 0.492 733 M N 0.055 119.638 119.600 -0.028 0.000 2.414 733 M HA 0.338 4.824 4.480 0.009 0.000 0.287 733 M C -1.944 174.343 176.300 -0.023 0.000 1.181 733 M CA -0.724 54.558 55.300 -0.029 0.000 0.933 733 M CB 1.711 34.291 32.600 -0.033 0.000 1.732 733 M HN -0.282 nan 8.290 nan 0.000 0.486 734 V N 5.121 125.022 119.914 -0.023 0.000 2.459 734 V HA 0.459 4.585 4.120 0.009 0.000 0.295 734 V C -0.406 175.679 176.094 -0.015 0.000 1.029 734 V CA -0.654 61.636 62.300 -0.016 0.000 0.874 734 V CB 1.787 33.601 31.823 -0.015 0.000 0.985 734 V HN 0.782 nan 8.190 nan 0.000 0.438 735 L N 4.526 125.744 121.223 -0.008 0.000 2.282 735 L HA 0.385 4.731 4.340 0.009 0.000 0.287 735 L C 1.520 178.390 176.870 -0.000 0.000 1.075 735 L CA -0.299 54.537 54.840 -0.007 0.000 0.839 735 L CB 1.039 43.099 42.059 0.001 0.000 1.219 735 L HN 0.823 nan 8.230 nan 0.000 0.434 736 A N 2.495 125.312 122.820 -0.004 0.000 2.070 736 A HA -0.166 4.160 4.320 0.009 0.000 0.220 736 A C 1.399 178.987 177.584 0.006 0.000 1.159 736 A CA 1.722 53.759 52.037 -0.000 0.000 0.656 736 A CB -0.263 18.735 19.000 -0.004 0.000 0.800 736 A HN 0.860 nan 8.150 nan 0.000 0.453 737 D N -3.140 117.265 120.400 0.009 0.000 2.479 737 D HA 0.173 4.818 4.640 0.009 0.000 0.218 737 D C -0.272 176.042 176.300 0.024 0.000 1.177 737 D CA 0.463 54.472 54.000 0.015 0.000 0.830 737 D CB -0.252 40.556 40.800 0.014 0.000 1.014 737 D HN 0.170 nan 8.370 nan 0.000 0.503 738 D N -0.379 120.035 120.400 0.024 0.000 3.006 738 D HA -0.216 4.430 4.640 0.009 0.000 0.208 738 D C -0.134 176.198 176.300 0.054 0.000 1.116 738 D CA 0.995 55.016 54.000 0.035 0.000 0.998 738 D CB -1.410 39.411 40.800 0.035 0.000 1.124 738 D HN 0.382 nan 8.370 nan 0.000 0.413 739 N N -0.395 118.335 118.700 0.050 0.000 2.529 739 N HA 0.195 4.941 4.740 0.009 0.000 0.278 739 N C 0.642 176.215 175.510 0.105 0.000 1.146 739 N CA -0.303 52.794 53.050 0.078 0.000 0.980 739 N CB 0.336 38.856 38.487 0.055 0.000 1.124 739 N HN -0.043 nan 8.380 nan 0.000 0.458 740 F N 2.733 122.680 119.950 -0.004 0.000 2.126 740 F HA -0.156 4.377 4.527 0.010 0.000 0.299 740 F C 2.015 177.812 175.800 -0.007 0.000 1.096 740 F CA 1.626 59.622 58.000 -0.006 0.000 1.255 740 F CB -0.422 38.573 39.000 -0.009 0.000 0.997 740 F HN 0.535 nan 8.300 nan 0.000 0.479 741 S N -0.347 115.319 115.700 -0.058 0.000 2.469 741 S HA -0.192 4.284 4.470 0.009 0.000 0.238 741 S C 1.842 176.327 174.600 -0.191 0.000 0.998 741 S CA 1.471 59.573 58.200 -0.163 0.000 0.957 741 S CB -0.952 62.241 63.200 -0.012 0.000 0.764 741 S HN 0.613 nan 8.310 nan 0.000 0.514 742 T N 2.015 116.485 114.554 -0.140 0.000 2.821 742 T HA 0.067 4.422 4.350 0.009 0.000 0.267 742 T C 1.720 176.328 174.700 -0.153 0.000 1.046 742 T CA 0.793 62.827 62.100 -0.111 0.000 1.139 742 T CB -0.493 68.339 68.868 -0.059 0.000 0.871 742 T HN 0.344 nan 8.240 nan 0.000 0.454 743 I N 1.292 121.723 120.570 -0.231 0.000 2.076 743 I HA -0.192 3.984 4.170 0.009 0.000 0.237 743 I C 2.635 178.598 176.117 -0.256 0.000 1.059 743 I CA 1.165 62.319 61.300 -0.244 0.000 1.317 743 I CB -0.770 37.036 38.000 -0.324 0.000 1.037 743 I HN 0.068 nan 8.210 nan 0.000 0.398 744 V N 1.266 120.945 119.914 -0.392 0.000 2.324 744 V HA -0.362 3.763 4.120 0.009 0.000 0.250 744 V C 2.697 178.697 176.094 -0.158 0.000 1.060 744 V CA 2.197 64.332 62.300 -0.275 0.000 1.042 744 V CB -1.268 30.372 31.823 -0.304 0.000 0.650 744 V HN 0.562 nan 8.190 nan 0.000 0.450 745 A N -0.221 122.513 122.820 -0.144 0.000 1.930 745 A HA -0.032 4.294 4.320 0.009 0.000 0.217 745 A C 2.388 179.928 177.584 -0.074 0.000 1.175 745 A CA 1.913 53.898 52.037 -0.087 0.000 0.627 745 A CB -0.661 18.297 19.000 -0.070 0.000 0.815 745 A HN 0.597 nan 8.150 nan 0.000 0.443 746 A N -0.573 122.195 122.820 -0.087 0.000 1.968 746 A HA 0.089 4.415 4.320 0.009 0.000 0.217 746 A C 2.168 179.714 177.584 -0.063 0.000 1.169 746 A CA 1.518 53.513 52.037 -0.069 0.000 0.638 746 A CB -0.714 18.243 19.000 -0.072 0.000 0.812 746 A HN 0.340 nan 8.150 nan 0.000 0.446 747 V N 0.050 119.919 119.914 -0.075 0.000 2.295 747 V HA -0.283 3.843 4.120 0.009 0.000 0.246 747 V C 2.504 178.572 176.094 -0.043 0.000 1.049 747 V CA 2.319 64.582 62.300 -0.060 0.000 1.024 747 V CB -0.744 31.039 31.823 -0.067 0.000 0.648 747 V HN 0.785 nan 8.190 nan 0.000 0.447 748 E N 0.109 120.283 120.200 -0.043 0.000 2.085 748 E HA -0.316 4.039 4.350 0.009 0.000 0.194 748 E C 2.178 178.765 176.600 -0.022 0.000 0.994 748 E CA 1.721 58.104 56.400 -0.027 0.000 0.801 748 E CB -0.068 29.616 29.700 -0.026 0.000 0.743 748 E HN 0.630 nan 8.360 nan 0.000 0.453 749 E N -0.404 119.778 120.200 -0.030 0.000 2.085 749 E HA -0.135 4.221 4.350 0.009 0.000 0.194 749 E C 1.866 178.454 176.600 -0.021 0.000 0.994 749 E CA 1.597 57.979 56.400 -0.029 0.000 0.801 749 E CB -0.601 29.077 29.700 -0.037 0.000 0.743 749 E HN 0.376 nan 8.360 nan 0.000 0.453 750 G N -0.065 108.723 108.800 -0.020 0.000 2.422 750 G HA2 -0.256 3.710 3.960 0.009 0.000 0.218 750 G HA3 -0.256 3.710 3.960 0.009 0.000 0.218 750 G C 1.575 176.490 174.900 0.024 0.000 1.140 750 G CA 0.662 45.758 45.100 -0.007 0.000 0.775 750 G HN 0.154 nan 8.290 nan 0.000 0.545 751 R N 0.295 120.804 120.500 0.016 0.000 2.090 751 R HA 0.141 4.487 4.340 0.009 0.000 0.228 751 R C 3.037 179.370 176.300 0.056 0.000 1.110 751 R CA 0.894 57.021 56.100 0.046 0.000 0.973 751 R CB -0.306 30.008 30.300 0.023 0.000 0.869 751 R HN 0.331 nan 8.270 nan 0.000 0.440 752 A N 1.580 124.413 122.820 0.021 0.000 1.858 752 A HA -0.167 4.159 4.320 0.009 0.000 0.216 752 A C 2.157 179.740 177.584 -0.000 0.000 1.190 752 A CA 1.306 53.345 52.037 0.005 0.000 0.617 752 A CB -0.532 18.460 19.000 -0.012 0.000 0.827 752 A HN 0.148 nan 8.150 nan 0.000 0.443 753 I N -2.266 118.306 120.570 0.003 0.000 2.142 753 I HA -0.273 3.903 4.170 0.009 0.000 0.240 753 I C 2.464 178.589 176.117 0.014 0.000 1.078 753 I CA 1.890 63.188 61.300 -0.002 0.000 1.343 753 I CB -0.500 37.500 38.000 0.000 0.000 1.046 753 I HN 0.500 nan 8.210 nan 0.000 0.405 754 Y N 2.293 122.550 120.300 -0.072 0.000 2.114 754 Y HA -0.346 4.212 4.550 0.012 0.000 0.282 754 Y C 2.490 178.323 175.900 -0.112 0.000 1.165 754 Y CA 1.780 59.823 58.100 -0.096 0.000 1.148 754 Y CB -0.524 37.892 38.460 -0.074 0.000 0.972 754 Y HN 0.219 nan 8.280 nan 0.000 0.504 755 N N 0.615 119.276 118.700 -0.065 0.000 2.091 755 N HA -0.220 4.525 4.740 0.009 0.000 0.193 755 N C 1.266 176.651 175.510 -0.208 0.000 1.021 755 N CA 1.814 54.785 53.050 -0.132 0.000 0.862 755 N CB -0.623 37.846 38.487 -0.029 0.000 1.018 755 N HN 0.492 nan 8.380 nan 0.000 0.429 756 N N 0.709 119.315 118.700 -0.157 0.000 2.216 756 N HA 0.008 4.753 4.740 0.009 0.000 0.183 756 N C 1.862 177.194 175.510 -0.298 0.000 1.017 756 N CA 0.674 53.653 53.050 -0.118 0.000 0.861 756 N CB -0.307 38.181 38.487 0.002 0.000 0.986 756 N HN 0.301 nan 8.380 nan 0.000 0.428 757 M N 0.792 120.075 119.600 -0.528 0.000 2.065 757 M HA -0.183 4.303 4.480 0.009 0.000 0.259 757 M C 2.124 177.815 176.300 -1.014 0.000 1.069 757 M CA 1.468 56.075 55.300 -1.154 0.000 1.110 757 M CB -0.292 31.846 32.600 -0.771 0.000 1.328 757 M HN 0.088 nan 8.290 nan 0.000 0.405 758 K N 0.022 119.927 120.400 -0.826 0.000 2.077 758 K HA -0.306 4.020 4.320 0.009 0.000 0.213 758 K C 2.063 178.441 176.600 -0.370 0.000 1.051 758 K CA 2.043 57.972 56.287 -0.596 0.000 0.929 758 K CB -0.051 32.133 32.500 -0.527 0.000 0.715 758 K HN 0.143 nan 8.250 nan 0.000 0.451 759 Q N -0.335 119.290 119.800 -0.293 0.000 2.046 759 Q HA -0.128 4.218 4.340 0.009 0.000 0.200 759 Q C 1.908 177.884 176.000 -0.041 0.000 0.975 759 Q CA 1.986 57.715 55.803 -0.123 0.000 0.836 759 Q CB -0.302 28.392 28.738 -0.073 0.000 0.896 759 Q HN 0.528 nan 8.270 nan 0.000 0.428 760 F N -1.293 118.618 119.950 -0.065 0.000 2.293 760 F HA 0.090 4.621 4.527 0.007 0.000 0.297 760 F C 1.536 177.334 175.800 -0.004 0.000 1.089 760 F CA 0.475 58.478 58.000 0.004 0.000 1.377 760 F CB -0.608 38.383 39.000 -0.015 0.000 1.051 760 F HN -0.020 nan 8.300 nan 0.000 0.511 761 I N 1.187 121.574 120.570 -0.304 0.000 2.142 761 I HA -0.248 3.928 4.170 0.009 0.000 0.240 761 I C 2.597 178.597 176.117 -0.196 0.000 1.078 761 I CA 1.525 62.693 61.300 -0.220 0.000 1.343 761 I CB -0.837 36.932 38.000 -0.385 0.000 1.046 761 I HN 0.204 nan 8.210 nan 0.000 0.405 762 R N -0.028 120.342 120.500 -0.216 0.000 2.083 762 R HA -0.240 4.106 4.340 0.009 0.000 0.237 762 R C 2.437 178.543 176.300 -0.323 0.000 1.137 762 R CA 1.942 57.873 56.100 -0.282 0.000 0.951 762 R CB -0.823 29.381 30.300 -0.161 0.000 0.851 762 R HN 0.386 nan 8.270 nan 0.000 0.434 763 Y N 1.562 121.733 120.300 -0.215 0.000 2.097 763 Y HA -0.231 4.320 4.550 0.001 0.000 0.282 763 Y C 2.094 177.899 175.900 -0.157 0.000 1.152 763 Y CA 1.488 59.496 58.100 -0.153 0.000 1.136 763 Y CB -0.534 37.904 38.460 -0.037 0.000 0.975 763 Y HN -0.027 nan 8.280 nan 0.000 0.498 764 L N 0.508 121.558 121.223 -0.288 0.000 2.042 764 L HA -0.224 4.122 4.340 0.009 0.000 0.210 764 L C 2.538 179.209 176.870 -0.332 0.000 1.076 764 L CA 1.972 56.592 54.840 -0.367 0.000 0.749 764 L CB -0.544 41.470 42.059 -0.074 0.000 0.893 764 L HN 0.574 nan 8.230 nan 0.000 0.432 765 I N -4.450 115.937 120.570 -0.306 0.000 2.353 765 I HA -0.190 3.986 4.170 0.009 0.000 0.248 765 I C 2.642 178.563 176.117 -0.326 0.000 1.119 765 I CA 1.355 62.481 61.300 -0.290 0.000 1.417 765 I CB -0.792 36.990 38.000 -0.364 0.000 1.078 765 I HN 0.135 nan 8.210 nan 0.000 0.421 766 S N 2.135 117.553 115.700 -0.470 0.000 2.387 766 S HA -0.238 4.237 4.470 0.009 0.000 0.230 766 S C 2.282 176.709 174.600 -0.289 0.000 1.035 766 S CA 2.373 60.287 58.200 -0.477 0.000 1.014 766 S CB -0.612 62.231 63.200 -0.595 0.000 0.836 766 S HN 0.818 nan 8.310 nan 0.000 0.466 767 S N 1.414 116.919 115.700 -0.326 0.000 2.355 767 S HA -0.097 4.379 4.470 0.009 0.000 0.222 767 S C 1.652 176.154 174.600 -0.163 0.000 1.031 767 S CA 1.479 59.529 58.200 -0.251 0.000 0.993 767 S CB -1.090 61.912 63.200 -0.331 0.000 0.859 767 S HN 0.685 nan 8.310 nan 0.000 0.453 768 N N 1.541 120.150 118.700 -0.153 0.000 2.166 768 N HA -0.017 4.729 4.740 0.009 0.000 0.186 768 N C 1.631 177.103 175.510 -0.064 0.000 1.019 768 N CA 1.232 54.233 53.050 -0.081 0.000 0.856 768 N CB -0.635 37.830 38.487 -0.038 0.000 0.993 768 N HN 0.263 nan 8.380 nan 0.000 0.426 769 V N 0.521 120.379 119.914 -0.093 0.000 2.282 769 V HA -0.235 3.891 4.120 0.009 0.000 0.249 769 V C 2.382 178.432 176.094 -0.073 0.000 1.057 769 V CA 2.201 64.446 62.300 -0.091 0.000 1.032 769 V CB -1.335 30.405 31.823 -0.138 0.000 0.645 769 V HN 0.461 nan 8.190 nan 0.000 0.447 770 G N -0.686 108.070 108.800 -0.074 0.000 2.459 770 G HA2 -0.267 3.699 3.960 0.009 0.000 0.217 770 G HA3 -0.267 3.699 3.960 0.009 0.000 0.217 770 G C 1.443 176.325 174.900 -0.031 0.000 1.183 770 G CA 1.015 46.086 45.100 -0.049 0.000 0.776 770 G HN 0.583 nan 8.290 nan 0.000 0.552 771 E N -0.161 120.019 120.200 -0.034 0.000 2.085 771 E HA -0.116 4.240 4.350 0.009 0.000 0.194 771 E C 2.748 179.357 176.600 0.014 0.000 0.994 771 E CA 1.157 57.551 56.400 -0.011 0.000 0.801 771 E CB -0.142 29.549 29.700 -0.016 0.000 0.743 771 E HN 0.343 nan 8.360 nan 0.000 0.453 772 V N 0.715 120.635 119.914 0.010 0.000 2.270 772 V HA -0.208 3.917 4.120 0.009 0.000 0.245 772 V C 2.340 178.474 176.094 0.065 0.000 1.043 772 V CA 1.260 63.584 62.300 0.039 0.000 1.014 772 V CB -0.385 31.447 31.823 0.016 0.000 0.645 772 V HN 0.127 nan 8.190 nan 0.000 0.447 773 V N -0.529 119.394 119.914 0.014 0.000 2.469 773 V HA -0.320 3.805 4.120 0.009 0.000 0.251 773 V C 2.561 178.700 176.094 0.074 0.000 1.064 773 V CA 2.224 64.531 62.300 0.011 0.000 1.066 773 V CB -0.669 31.128 31.823 -0.042 0.000 0.667 773 V HN 0.811 nan 8.190 nan 0.000 0.461 774 C N -0.290 119.041 119.300 0.053 0.000 2.508 774 C HA -0.094 4.372 4.460 0.009 0.000 0.280 774 C C 2.504 177.550 174.990 0.094 0.000 1.262 774 C CA 1.027 60.079 59.018 0.057 0.000 1.706 774 C CB -0.842 26.911 27.740 0.022 0.000 2.078 774 C HN 0.516 nan 8.230 nan 0.000 0.480 775 I N 0.324 120.950 120.570 0.093 0.000 2.361 775 I HA -0.073 4.102 4.170 0.009 0.000 0.251 775 I C 2.086 178.273 176.117 0.117 0.000 1.133 775 I CA 1.447 62.799 61.300 0.087 0.000 1.413 775 I CB -0.716 37.323 38.000 0.065 0.000 1.073 775 I HN 0.494 nan 8.210 nan 0.000 0.424 776 F N 0.394 120.357 119.950 0.021 0.000 2.051 776 F HA -0.263 4.269 4.527 0.008 0.000 0.296 776 F C 2.302 178.129 175.800 0.044 0.000 1.122 776 F CA 1.810 59.830 58.000 0.033 0.000 1.201 776 F CB -0.378 38.639 39.000 0.029 0.000 0.978 776 F HN -0.074 nan 8.300 nan 0.000 0.472 777 L N -0.483 120.933 121.223 0.321 0.000 2.043 777 L HA -0.246 4.100 4.340 0.009 0.000 0.212 777 L C 1.798 178.719 176.870 0.084 0.000 1.075 777 L CA 1.842 56.800 54.840 0.196 0.000 0.752 777 L CB -0.760 41.402 42.059 0.172 0.000 0.891 777 L HN 0.164 nan 8.230 nan 0.000 0.432 778 T N -1.247 113.354 114.554 0.078 0.000 3.607 778 T HA 0.457 4.813 4.350 0.009 0.000 0.225 778 T C 0.402 175.129 174.700 0.045 0.000 0.904 778 T CA 0.551 62.694 62.100 0.071 0.000 0.962 778 T CB -0.117 68.800 68.868 0.082 0.000 1.221 778 T HN 0.432 nan 8.240 nan 0.000 0.641 779 A N 0.448 123.264 122.820 -0.007 0.000 1.461 779 A HA 0.671 4.996 4.320 0.009 0.000 0.209 779 A C 1.757 179.304 177.584 -0.062 0.000 1.769 779 A CA 0.663 52.685 52.037 -0.026 0.000 1.456 779 A CB -0.949 17.965 19.000 -0.143 0.000 1.363 779 A HN 0.572 nan 8.150 nan 0.000 0.395 780 A N 0.387 123.064 122.820 -0.238 0.000 2.028 780 A HA 0.434 4.759 4.320 0.009 0.000 0.213 780 A C 0.878 178.417 177.584 -0.074 0.000 1.486 780 A CA 1.066 52.967 52.037 -0.227 0.000 0.597 780 A CB -1.049 17.648 19.000 -0.506 0.000 1.089 780 A HN 0.570 nan 8.150 nan 0.000 0.489 781 L N 0.899 122.107 121.223 -0.026 0.000 2.511 781 L HA 0.429 4.775 4.340 0.009 0.000 0.239 781 L C 0.533 177.434 176.870 0.051 0.000 1.400 781 L CA 0.538 55.401 54.840 0.038 0.000 1.226 781 L CB -1.101 41.010 42.059 0.087 0.000 1.475 781 L HN 0.758 nan 8.230 nan 0.000 0.428 782 G N -0.037 108.786 108.800 0.038 0.000 2.379 782 G HA2 -0.019 3.947 3.960 0.009 0.000 0.609 782 G HA3 -0.019 3.947 3.960 0.009 0.000 0.609 782 G C -0.295 174.643 174.900 0.063 0.000 1.484 782 G CA -0.939 44.196 45.100 0.058 0.000 0.921 782 G HN 0.132 nan 8.290 nan 0.000 0.658 783 L N 0.665 121.929 121.223 0.068 0.000 2.642 783 L HA 0.253 4.598 4.340 0.009 0.000 0.233 783 L C -1.295 175.654 176.870 0.131 0.000 1.077 783 L CA -0.338 54.562 54.840 0.100 0.000 0.879 783 L CB 0.106 42.185 42.059 0.033 0.000 1.151 783 L HN 0.409 nan 8.230 nan 0.000 0.495 784 P HA -0.033 nan 4.420 nan 0.000 0.257 784 P C -0.769 176.627 177.300 0.160 0.000 1.269 784 P CA 0.124 63.311 63.100 0.145 0.000 1.122 784 P CB -0.456 31.378 31.700 0.223 0.000 1.285 785 E N 2.087 122.380 120.200 0.155 0.000 2.924 785 E HA 0.038 4.394 4.350 0.009 0.000 0.236 785 E C 1.252 177.908 176.600 0.093 0.000 1.028 785 E CA -0.047 56.428 56.400 0.126 0.000 0.952 785 E CB 0.039 29.817 29.700 0.131 0.000 0.918 785 E HN 0.407 nan 8.360 nan 0.000 0.536 786 A N 4.649 127.514 122.820 0.075 0.000 1.943 786 A HA 0.125 4.451 4.320 0.009 0.000 0.213 786 A C 0.620 178.221 177.584 0.028 0.000 1.181 786 A CA 0.540 52.605 52.037 0.046 0.000 0.653 786 A CB 0.310 19.336 19.000 0.044 0.000 0.833 786 A HN 0.522 nan 8.150 nan 0.000 0.451 787 L N -0.543 120.705 121.223 0.041 0.000 2.431 787 L HA 0.550 4.896 4.340 0.009 0.000 0.266 787 L C -0.926 175.979 176.870 0.059 0.000 0.978 787 L CA -0.443 54.424 54.840 0.046 0.000 0.822 787 L CB 2.348 44.431 42.059 0.041 0.000 1.310 787 L HN 0.223 nan 8.230 nan 0.000 0.409 788 I N 3.898 124.513 120.570 0.075 0.000 2.577 788 I HA 0.352 4.527 4.170 0.009 0.000 0.305 788 I C -1.281 174.892 176.117 0.094 0.000 0.986 788 I CA -2.124 59.223 61.300 0.078 0.000 1.189 788 I CB 2.527 40.572 38.000 0.075 0.000 1.355 788 I HN 0.468 nan 8.210 nan 0.000 0.476 789 P HA -0.188 nan 4.420 nan 0.000 0.215 789 P C 1.662 179.036 177.300 0.123 0.000 1.157 789 P CA 1.632 64.783 63.100 0.084 0.000 0.874 789 P CB -0.145 31.593 31.700 0.063 0.000 0.790 790 V N 0.646 120.634 119.914 0.123 0.000 2.278 790 V HA -0.312 3.814 4.120 0.009 0.000 0.251 790 V C 2.791 179.101 176.094 0.360 0.000 1.062 790 V CA 2.255 64.649 62.300 0.157 0.000 1.038 790 V CB -2.102 29.732 31.823 0.019 0.000 0.646 790 V HN 0.136 nan 8.190 nan 0.000 0.447 791 Q N -0.006 120.034 119.800 0.401 0.000 2.061 791 Q HA -0.157 4.188 4.340 0.009 0.000 0.204 791 Q C 2.331 178.525 176.000 0.323 0.000 0.984 791 Q CA 1.831 57.914 55.803 0.466 0.000 0.846 791 Q CB -0.369 28.544 28.738 0.292 0.000 0.902 791 Q HN 0.575 nan 8.270 nan 0.000 0.421 792 L N 0.135 121.483 121.223 0.208 0.000 2.093 792 L HA -0.170 4.176 4.340 0.009 0.000 0.208 792 L C 2.240 179.189 176.870 0.132 0.000 1.085 792 L CA 0.404 55.322 54.840 0.130 0.000 0.755 792 L CB -0.349 41.759 42.059 0.082 0.000 0.904 792 L HN 0.294 nan 8.230 nan 0.000 0.435 793 L N -1.196 120.133 121.223 0.176 0.000 2.046 793 L HA -0.247 4.099 4.340 0.009 0.000 0.208 793 L C 2.276 179.268 176.870 0.202 0.000 1.077 793 L CA 2.051 56.987 54.840 0.160 0.000 0.747 793 L CB -1.114 41.044 42.059 0.165 0.000 0.896 793 L HN 0.482 nan 8.230 nan 0.000 0.432 794 W N -0.362 121.025 121.300 0.145 0.000 2.436 794 W HA -0.102 4.562 4.660 0.006 0.000 0.284 794 W C 2.333 178.875 176.519 0.038 0.000 1.225 794 W CA 0.880 58.301 57.345 0.127 0.000 1.271 794 W CB -0.041 29.554 29.460 0.225 0.000 1.114 794 W HN -0.186 nan 8.180 nan 0.000 0.559 795 V N 1.162 121.130 119.914 0.090 0.000 2.307 795 V HA -0.305 3.821 4.120 0.009 0.000 0.245 795 V C 1.818 177.816 176.094 -0.160 0.000 1.045 795 V CA 2.085 64.340 62.300 -0.074 0.000 1.024 795 V CB -0.814 31.015 31.823 0.010 0.000 0.651 795 V HN 0.121 nan 8.190 nan 0.000 0.449 796 N N -0.548 118.097 118.700 -0.092 0.000 2.521 796 N HA 0.025 4.771 4.740 0.009 0.000 0.188 796 N C 1.140 176.577 175.510 -0.122 0.000 1.146 796 N CA 0.596 53.586 53.050 -0.101 0.000 0.893 796 N CB 0.441 38.897 38.487 -0.052 0.000 0.975 796 N HN 0.312 nan 8.380 nan 0.000 0.451 797 L N -1.274 119.843 121.223 -0.177 0.000 2.577 797 L HA 0.189 4.534 4.340 0.009 0.000 0.225 797 L C 1.602 178.308 176.870 -0.274 0.000 1.053 797 L CA 0.495 55.225 54.840 -0.183 0.000 0.866 797 L CB 0.472 42.455 42.059 -0.127 0.000 1.132 797 L HN -0.142 nan 8.230 nan 0.000 0.486 798 V N -2.542 117.083 119.914 -0.483 0.000 3.029 798 V HA -0.009 4.117 4.120 0.009 0.000 0.230 798 V C 2.252 178.060 176.094 -0.477 0.000 1.254 798 V CA 1.139 63.105 62.300 -0.557 0.000 1.276 798 V CB -0.221 31.038 31.823 -0.940 0.000 1.080 798 V HN 0.396 nan 8.190 nan 0.000 0.495 799 T N -1.398 112.799 114.554 -0.596 0.000 2.821 799 T HA -0.176 4.179 4.350 0.009 0.000 0.267 799 T C 1.253 175.860 174.700 -0.155 0.000 1.046 799 T CA 2.054 63.949 62.100 -0.342 0.000 1.139 799 T CB -0.305 68.391 68.868 -0.286 0.000 0.871 799 T HN 0.379 nan 8.240 nan 0.000 0.454 800 D N 0.928 121.240 120.400 -0.147 0.000 2.338 800 D HA 0.240 4.886 4.640 0.009 0.000 0.208 800 D C 2.328 178.637 176.300 0.015 0.000 0.997 800 D CA 0.748 54.735 54.000 -0.022 0.000 0.880 800 D CB -0.633 40.082 40.800 -0.141 0.000 0.980 800 D HN 0.512 nan 8.370 nan 0.000 0.509 801 G N 0.794 109.534 108.800 -0.099 0.000 2.422 801 G HA2 -0.163 3.803 3.960 0.009 0.000 0.218 801 G HA3 -0.163 3.803 3.960 0.009 0.000 0.218 801 G C 1.428 176.270 174.900 -0.095 0.000 1.140 801 G CA 0.286 45.323 45.100 -0.106 0.000 0.775 801 G HN 0.138 nan 8.290 nan 0.000 0.545 802 L N 1.218 122.390 121.223 -0.086 0.000 2.023 802 L HA 0.054 4.399 4.340 0.009 0.000 0.205 802 L C 0.155 176.998 176.870 -0.044 0.000 1.073 802 L CA 1.633 56.436 54.840 -0.061 0.000 0.745 802 L CB -1.814 40.219 42.059 -0.044 0.000 0.900 802 L HN 0.111 nan 8.230 nan 0.000 0.435 803 P HA -0.100 nan 4.420 nan 0.000 0.218 803 P C 1.573 178.798 177.300 -0.124 0.000 1.148 803 P CA 1.637 64.690 63.100 -0.077 0.000 0.822 803 P CB 0.005 31.648 31.700 -0.096 0.000 0.784 804 A N -0.812 121.995 122.820 -0.021 0.000 1.902 804 A HA -0.175 4.151 4.320 0.009 0.000 0.217 804 A C 2.231 179.635 177.584 -0.300 0.000 1.181 804 A CA 2.368 54.371 52.037 -0.057 0.000 0.623 804 A CB -1.850 17.152 19.000 0.003 0.000 0.818 804 A HN 0.157 nan 8.150 nan 0.000 0.443 805 T N 0.022 114.428 114.554 -0.247 0.000 2.904 805 T HA 0.098 4.453 4.350 0.009 0.000 0.267 805 T C 2.166 176.821 174.700 -0.074 0.000 1.059 805 T CA 1.220 63.177 62.100 -0.237 0.000 1.137 805 T CB -0.312 68.460 68.868 -0.159 0.000 0.879 805 T HN 0.572 nan 8.240 nan 0.000 0.467 806 A N 1.280 124.080 122.820 -0.033 0.000 1.930 806 A HA 0.067 4.392 4.320 0.009 0.000 0.217 806 A C 2.202 179.845 177.584 0.099 0.000 1.175 806 A CA 1.024 53.097 52.037 0.060 0.000 0.627 806 A CB -0.757 18.281 19.000 0.063 0.000 0.815 806 A HN 0.473 nan 8.150 nan 0.000 0.443 807 L N -0.517 120.721 121.223 0.025 0.000 2.191 807 L HA -0.101 4.245 4.340 0.009 0.000 0.212 807 L C 2.681 179.638 176.870 0.146 0.000 1.103 807 L CA 0.824 55.704 54.840 0.066 0.000 0.769 807 L CB -0.642 41.447 42.059 0.050 0.000 0.908 807 L HN 0.469 nan 8.230 nan 0.000 0.438 808 G N -0.693 108.184 108.800 0.128 0.000 2.501 808 G HA2 -0.265 3.701 3.960 0.009 0.000 0.220 808 G HA3 -0.265 3.701 3.960 0.009 0.000 0.220 808 G C 1.129 175.994 174.900 -0.058 0.000 1.114 808 G CA 0.455 45.612 45.100 0.094 0.000 0.757 808 G HN 0.334 nan 8.290 nan 0.000 0.559 809 F N 0.553 120.480 119.950 -0.038 0.000 2.639 809 F HA 0.340 4.872 4.527 0.008 0.000 0.302 809 F C 0.778 176.593 175.800 0.025 0.000 1.097 809 F CA -1.057 56.915 58.000 -0.046 0.000 1.294 809 F CB 0.130 39.038 39.000 -0.154 0.000 1.027 809 F HN -0.130 nan 8.300 nan 0.000 0.550 810 N N 2.120 120.903 118.700 0.138 0.000 2.345 810 N HA 0.000 4.746 4.740 0.009 0.000 0.243 810 N C -2.503 173.055 175.510 0.080 0.000 1.246 810 N CA -0.824 52.284 53.050 0.096 0.000 0.863 810 N CB 0.076 38.590 38.487 0.045 0.000 1.096 810 N HN -0.082 nan 8.380 nan 0.000 0.446 811 P HA 0.188 nan 4.420 nan 0.000 0.276 811 P C -2.330 174.991 177.300 0.035 0.000 1.243 811 P CA -0.996 62.144 63.100 0.066 0.000 0.768 811 P CB -0.137 31.602 31.700 0.065 0.000 0.856 812 P HA -0.011 nan 4.420 nan 0.000 0.262 812 P C -0.106 177.203 177.300 0.016 0.000 1.182 812 P CA 0.330 63.439 63.100 0.015 0.000 0.761 812 P CB 0.358 32.066 31.700 0.013 0.000 0.795 813 D N 1.669 122.075 120.400 0.010 0.000 2.506 813 D HA -0.072 4.574 4.640 0.009 0.000 0.234 813 D C 1.235 177.544 176.300 0.016 0.000 1.143 813 D CA 0.188 54.195 54.000 0.011 0.000 0.871 813 D CB 0.478 41.283 40.800 0.010 0.000 1.190 813 D HN 0.287 nan 8.370 nan 0.000 0.459 814 L N 1.958 123.192 121.223 0.018 0.000 2.395 814 L HA 0.016 4.361 4.340 0.009 0.000 0.218 814 L C 0.967 177.848 176.870 0.019 0.000 1.130 814 L CA 0.799 55.651 54.840 0.020 0.000 0.826 814 L CB 0.055 42.127 42.059 0.022 0.000 0.941 814 L HN 0.520 nan 8.230 nan 0.000 0.451 815 D N -0.737 119.675 120.400 0.019 0.000 2.501 815 D HA 0.145 4.791 4.640 0.009 0.000 0.224 815 D C 1.819 178.130 176.300 0.018 0.000 1.202 815 D CA 0.107 54.119 54.000 0.019 0.000 0.829 815 D CB 0.619 41.432 40.800 0.022 0.000 1.023 815 D HN 0.277 nan 8.370 nan 0.000 0.499 816 I N -0.437 120.143 120.570 0.017 0.000 2.145 816 I HA -0.270 3.906 4.170 0.009 0.000 0.244 816 I C 1.866 177.991 176.117 0.014 0.000 1.075 816 I CA 1.233 62.543 61.300 0.017 0.000 1.332 816 I CB -0.426 37.583 38.000 0.014 0.000 1.033 816 I HN -0.033 nan 8.210 nan 0.000 0.410 817 M N 0.248 119.854 119.600 0.011 0.000 2.581 817 M HA 0.083 4.569 4.480 0.009 0.000 0.224 817 M C 0.281 176.588 176.300 0.013 0.000 1.171 817 M CA 0.698 56.003 55.300 0.009 0.000 0.993 817 M CB -0.863 31.739 32.600 0.004 0.000 1.685 817 M HN 0.251 nan 8.290 nan 0.000 0.479 818 D N 0.280 120.689 120.400 0.015 0.000 2.479 818 D HA 0.221 4.867 4.640 0.009 0.000 0.218 818 D C 0.257 176.568 176.300 0.019 0.000 1.177 818 D CA 0.135 54.145 54.000 0.017 0.000 0.830 818 D CB 1.284 42.095 40.800 0.017 0.000 1.014 818 D HN 0.276 nan 8.370 nan 0.000 0.503 819 R N 0.783 121.294 120.500 0.019 0.000 2.803 819 R HA 0.489 4.835 4.340 0.009 0.000 0.276 819 R C -2.556 173.755 176.300 0.019 0.000 0.978 819 R CA -1.612 54.501 56.100 0.021 0.000 0.939 819 R CB 1.918 32.233 30.300 0.025 0.000 1.179 819 R HN -0.154 nan 8.270 nan 0.000 0.472 820 P HA 0.194 nan 4.420 nan 0.000 0.277 820 P C -2.549 174.760 177.300 0.015 0.000 1.276 820 P CA -1.355 61.756 63.100 0.018 0.000 0.788 820 P CB -0.172 31.540 31.700 0.019 0.000 1.114 821 P HA 0.206 nan 4.420 nan 0.000 0.275 821 P C -0.333 176.967 177.300 0.000 0.000 1.228 821 P CA -0.178 62.922 63.100 -0.000 0.000 0.786 821 P CB 0.376 32.073 31.700 -0.004 0.000 0.927 822 R N 1.052 121.545 120.500 -0.012 0.000 2.537 822 R HA 0.132 4.477 4.340 0.009 0.000 0.280 822 R C 0.624 176.911 176.300 -0.021 0.000 1.058 822 R CA 0.054 56.148 56.100 -0.010 0.000 1.057 822 R CB -0.229 30.054 30.300 -0.028 0.000 0.973 822 R HN 0.433 nan 8.270 nan 0.000 0.438 823 S N 3.393 119.094 115.700 0.002 0.000 2.516 823 S HA 0.099 4.574 4.470 0.009 0.000 0.282 823 S C -1.302 173.289 174.600 -0.015 0.000 1.286 823 S CA -1.302 56.900 58.200 0.003 0.000 1.066 823 S CB 0.614 63.828 63.200 0.023 0.000 0.884 823 S HN 0.311 nan 8.310 nan 0.000 0.491 824 P HA -0.042 nan 4.420 nan 0.000 0.218 824 P C 0.853 178.146 177.300 -0.010 0.000 1.148 824 P CA 1.023 64.100 63.100 -0.038 0.000 0.822 824 P CB 0.173 31.857 31.700 -0.028 0.000 0.784 825 K N -0.240 120.166 120.400 0.011 0.000 2.444 825 K HA 0.023 4.349 4.320 0.009 0.000 0.193 825 K C 0.673 177.297 176.600 0.041 0.000 1.024 825 K CA 0.040 56.342 56.287 0.026 0.000 1.077 825 K CB -0.256 32.261 32.500 0.028 0.000 0.833 825 K HN 0.348 nan 8.250 nan 0.000 0.517 826 E N 3.630 123.855 120.200 0.043 0.000 2.498 826 E HA -0.007 4.349 4.350 0.009 0.000 0.252 826 E C -2.135 174.511 176.600 0.078 0.000 1.025 826 E CA -1.359 55.078 56.400 0.061 0.000 0.938 826 E CB 0.505 30.244 29.700 0.064 0.000 0.947 826 E HN -0.023 nan 8.360 nan 0.000 0.478 827 P HA 0.045 nan 4.420 nan 0.000 0.277 827 P C 0.430 177.782 177.300 0.087 0.000 1.240 827 P CA -0.288 62.864 63.100 0.086 0.000 0.798 827 P CB 0.954 32.710 31.700 0.092 0.000 0.979 828 L N 1.493 122.756 121.223 0.067 0.000 2.109 828 L HA 0.052 4.397 4.340 0.009 0.000 0.207 828 L C 1.176 178.083 176.870 0.061 0.000 1.086 828 L CA 1.605 56.465 54.840 0.034 0.000 0.760 828 L CB -0.534 41.499 42.059 -0.042 0.000 0.910 828 L HN 0.365 nan 8.230 nan 0.000 0.437 829 I N -0.772 119.853 120.570 0.092 0.000 2.497 829 I HA 0.372 4.547 4.170 0.009 0.000 0.284 829 I C -0.233 176.016 176.117 0.220 0.000 1.060 829 I CA -0.205 61.187 61.300 0.153 0.000 1.071 829 I CB 1.415 39.498 38.000 0.137 0.000 1.216 829 I HN 0.082 nan 8.210 nan 0.000 0.442 830 S N 3.563 119.394 115.700 0.218 0.000 3.211 830 S HA 0.838 5.314 4.470 0.009 0.000 0.320 830 S C 0.587 175.315 174.600 0.213 0.000 1.225 830 S CA -0.162 58.178 58.200 0.234 0.000 1.044 830 S CB 0.748 64.032 63.200 0.140 0.000 1.410 830 S HN 1.056 nan 8.310 nan 0.000 0.640 831 G N 1.541 110.439 108.800 0.162 0.000 2.684 831 G HA2 -0.393 3.572 3.960 0.009 0.000 0.342 831 G HA3 -0.393 3.572 3.960 0.009 0.000 0.342 831 G C 0.864 175.908 174.900 0.241 0.000 1.316 831 G CA 0.944 46.159 45.100 0.192 0.000 0.994 831 G HN 1.218 nan 8.290 nan 0.000 0.541 832 W N -0.324 120.964 121.300 -0.021 0.000 2.425 832 W HA 0.049 4.713 4.660 0.007 0.000 0.277 832 W C 2.313 178.818 176.519 -0.023 0.000 1.231 832 W CA 1.369 58.625 57.345 -0.148 0.000 1.248 832 W CB -0.131 29.050 29.460 -0.465 0.000 1.117 832 W HN 0.353 nan 8.180 nan 0.000 0.568 833 L N 0.483 121.668 121.223 -0.063 0.000 2.201 833 L HA -0.109 4.237 4.340 0.009 0.000 0.212 833 L C 2.199 178.997 176.870 -0.120 0.000 1.105 833 L CA 1.629 56.351 54.840 -0.198 0.000 0.775 833 L CB -1.387 40.658 42.059 -0.023 0.000 0.913 833 L HN -0.019 nan 8.230 nan 0.000 0.440 834 F N -1.107 118.798 119.950 -0.074 0.000 2.051 834 F HA -0.287 4.247 4.527 0.013 0.000 0.296 834 F C 2.304 178.057 175.800 -0.078 0.000 1.122 834 F CA 1.768 59.766 58.000 -0.004 0.000 1.201 834 F CB -0.455 38.577 39.000 0.053 0.000 0.978 834 F HN 0.112 nan 8.300 nan 0.000 0.472 835 F N 1.075 121.034 119.950 0.014 0.000 2.161 835 F HA -0.205 4.328 4.527 0.010 0.000 0.300 835 F C 2.634 178.142 175.800 -0.487 0.000 1.089 835 F CA 1.915 59.797 58.000 -0.197 0.000 1.282 835 F CB -0.445 38.392 39.000 -0.271 0.000 1.010 835 F HN -0.114 nan 8.300 nan 0.000 0.485 836 R N -1.147 118.983 120.500 -0.616 0.000 2.073 836 R HA -0.219 4.126 4.340 0.009 0.000 0.234 836 R C 2.056 178.032 176.300 -0.540 0.000 1.134 836 R CA 2.101 57.772 56.100 -0.715 0.000 0.952 836 R CB -0.659 29.098 30.300 -0.905 0.000 0.850 836 R HN 0.304 nan 8.270 nan 0.000 0.433 837 Y N -0.782 119.304 120.300 -0.357 0.000 2.395 837 Y HA -0.020 4.533 4.550 0.005 0.000 0.293 837 Y C 1.972 177.647 175.900 -0.376 0.000 1.123 837 Y CA 0.826 58.731 58.100 -0.326 0.000 1.227 837 Y CB -0.199 38.078 38.460 -0.304 0.000 1.012 837 Y HN 0.125 nan 8.280 nan 0.000 0.552 838 M N -0.133 119.258 119.600 -0.348 0.000 2.296 838 M HA -0.052 4.433 4.480 0.009 0.000 0.265 838 M C 2.057 178.149 176.300 -0.346 0.000 1.064 838 M CA 1.635 56.700 55.300 -0.391 0.000 1.109 838 M CB -0.287 32.063 32.600 -0.418 0.000 1.396 838 M HN 0.141 nan 8.290 nan 0.000 0.430 839 A N -0.454 122.128 122.820 -0.398 0.000 1.903 839 A HA 0.068 4.393 4.320 0.009 0.000 0.213 839 A C 2.101 179.607 177.584 -0.130 0.000 1.185 839 A CA 1.085 52.939 52.037 -0.304 0.000 0.628 839 A CB -0.715 18.071 19.000 -0.358 0.000 0.830 839 A HN 0.506 nan 8.150 nan 0.000 0.446 840 I N -0.096 120.405 120.570 -0.116 0.000 2.252 840 I HA -0.169 4.007 4.170 0.009 0.000 0.245 840 I C 2.688 178.821 176.117 0.027 0.000 1.102 840 I CA 1.117 62.405 61.300 -0.020 0.000 1.385 840 I CB -0.555 37.448 38.000 0.005 0.000 1.064 840 I HN 0.391 nan 8.210 nan 0.000 0.414 841 G N 0.543 109.327 108.800 -0.026 0.000 2.440 841 G HA2 -0.198 3.768 3.960 0.009 0.000 0.218 841 G HA3 -0.198 3.768 3.960 0.009 0.000 0.218 841 G C 1.703 176.582 174.900 -0.034 0.000 1.154 841 G CA 0.872 45.945 45.100 -0.045 0.000 0.767 841 G HN 0.498 nan 8.290 nan 0.000 0.552 842 G N -0.190 108.580 108.800 -0.049 0.000 2.421 842 G HA2 -0.243 3.723 3.960 0.009 0.000 0.216 842 G HA3 -0.243 3.723 3.960 0.009 0.000 0.216 842 G C 1.611 176.516 174.900 0.008 0.000 1.171 842 G CA 1.093 46.170 45.100 -0.038 0.000 0.775 842 G HN 0.434 nan 8.290 nan 0.000 0.543 843 Y N 1.811 122.067 120.300 -0.073 0.000 2.097 843 Y HA -0.230 4.314 4.550 -0.010 0.000 0.282 843 Y C 2.925 178.799 175.900 -0.043 0.000 1.152 843 Y CA 2.603 60.672 58.100 -0.052 0.000 1.136 843 Y CB -0.439 37.988 38.460 -0.054 0.000 0.975 843 Y HN 0.128 nan 8.280 nan 0.000 0.498 844 V N -1.163 118.802 119.914 0.084 0.000 2.515 844 V HA -0.074 4.052 4.120 0.009 0.000 0.250 844 V C 2.296 178.346 176.094 -0.074 0.000 1.058 844 V CA 1.919 64.211 62.300 -0.013 0.000 1.064 844 V CB -1.738 30.112 31.823 0.046 0.000 0.675 844 V HN 0.466 nan 8.190 nan 0.000 0.461 845 G N 0.117 108.887 108.800 -0.049 0.000 2.450 845 G HA2 -0.096 3.870 3.960 0.009 0.000 0.220 845 G HA3 -0.096 3.870 3.960 0.009 0.000 0.220 845 G C 1.538 176.407 174.900 -0.051 0.000 1.130 845 G CA 1.020 46.099 45.100 -0.035 0.000 0.760 845 G HN 0.984 nan 8.290 nan 0.000 0.557 846 A N -0.096 122.657 122.820 -0.111 0.000 2.267 846 A HA 0.711 5.036 4.320 0.009 0.000 0.213 846 A C 2.359 179.824 177.584 -0.200 0.000 1.192 846 A CA 1.283 53.244 52.037 -0.127 0.000 0.851 846 A CB -0.050 18.873 19.000 -0.129 0.000 0.881 846 A HN 0.514 nan 8.150 nan 0.000 0.494 847 A N -0.034 122.625 122.820 -0.268 0.000 1.871 847 A HA 0.052 4.378 4.320 0.009 0.000 0.211 847 A C 2.339 179.828 177.584 -0.158 0.000 1.207 847 A CA 1.930 53.799 52.037 -0.280 0.000 0.620 847 A CB -1.091 17.701 19.000 -0.346 0.000 0.860 847 A HN 0.543 nan 8.150 nan 0.000 0.450 848 T N -2.111 112.375 114.554 -0.113 0.000 2.867 848 T HA -0.066 4.289 4.350 0.009 0.000 0.268 848 T C 1.698 176.376 174.700 -0.037 0.000 1.057 848 T CA 1.384 63.439 62.100 -0.075 0.000 1.136 848 T CB -0.576 68.259 68.868 -0.055 0.000 0.874 848 T HN 0.010 nan 8.240 nan 0.000 0.466 849 V N 1.935 121.838 119.914 -0.020 0.000 2.358 849 V HA 0.029 4.154 4.120 0.009 0.000 0.246 849 V C 3.029 179.146 176.094 0.038 0.000 1.047 849 V CA 1.874 64.189 62.300 0.025 0.000 1.035 849 V CB -1.315 30.532 31.823 0.039 0.000 0.658 849 V HN 0.663 nan 8.190 nan 0.000 0.452 850 G N -0.639 108.160 108.800 -0.001 0.000 2.408 850 G HA2 -0.140 3.825 3.960 0.009 0.000 0.217 850 G HA3 -0.140 3.825 3.960 0.009 0.000 0.217 850 G C 1.630 176.562 174.900 0.054 0.000 1.150 850 G CA 0.914 46.026 45.100 0.020 0.000 0.776 850 G HN 0.602 nan 8.290 nan 0.000 0.542 851 A N 0.555 123.367 122.820 -0.012 0.000 2.072 851 A HA 0.564 4.890 4.320 0.009 0.000 0.216 851 A C 2.606 180.250 177.584 0.099 0.000 1.156 851 A CA 1.556 53.590 52.037 -0.004 0.000 0.701 851 A CB -0.285 18.626 19.000 -0.147 0.000 0.816 851 A HN 0.556 nan 8.150 nan 0.000 0.458 852 A N -0.090 122.752 122.820 0.037 0.000 1.898 852 A HA 0.322 4.648 4.320 0.009 0.000 0.214 852 A C 2.394 179.931 177.584 -0.078 0.000 1.183 852 A CA 1.535 53.561 52.037 -0.019 0.000 0.622 852 A CB -0.761 18.245 19.000 0.009 0.000 0.824 852 A HN 0.881 nan 8.150 nan 0.000 0.444 853 A N -1.604 121.276 122.820 0.099 0.000 1.968 853 A HA -0.072 4.253 4.320 0.009 0.000 0.217 853 A C 1.941 179.626 177.584 0.169 0.000 1.169 853 A CA 1.253 53.433 52.037 0.238 0.000 0.638 853 A CB -0.840 18.319 19.000 0.264 0.000 0.812 853 A HN 0.863 nan 8.150 nan 0.000 0.446 854 W N -0.234 121.042 121.300 -0.041 0.000 2.374 854 W HA -0.188 4.495 4.660 0.038 0.000 0.288 854 W C 1.943 178.417 176.519 -0.076 0.000 1.218 854 W CA 1.371 58.689 57.345 -0.044 0.000 1.245 854 W CB -0.258 29.164 29.460 -0.064 0.000 1.126 854 W HN 0.534 nan 8.180 nan 0.000 0.545 855 W N 1.063 122.213 121.300 -0.249 0.000 2.321 855 W HA -0.301 4.361 4.660 0.004 0.000 0.285 855 W C 1.024 177.139 176.519 -0.675 0.000 1.213 855 W CA 1.943 58.945 57.345 -0.572 0.000 1.205 855 W CB -0.980 28.121 29.460 -0.598 0.000 1.134 855 W HN 0.082 nan 8.180 nan 0.000 0.549 856 F N -0.107 119.689 119.950 -0.257 0.000 2.188 856 F HA -0.091 4.444 4.527 0.013 0.000 0.289 856 F C 2.765 178.310 175.800 -0.425 0.000 1.082 856 F CA 1.152 58.946 58.000 -0.343 0.000 1.282 856 F CB -1.155 37.771 39.000 -0.124 0.000 1.060 856 F HN -0.287 nan 8.300 nan 0.000 0.493 857 M N -1.252 118.213 119.600 -0.226 0.000 2.229 857 M HA -0.213 4.273 4.480 0.009 0.000 0.264 857 M C 1.701 177.762 176.300 -0.399 0.000 1.063 857 M CA 1.957 57.060 55.300 -0.328 0.000 1.114 857 M CB 0.035 32.454 32.600 -0.302 0.000 1.387 857 M HN 0.361 nan 8.290 nan 0.000 0.420 858 Y N -0.403 119.404 120.300 -0.822 0.000 2.736 858 Y HA 0.449 5.011 4.550 0.021 0.000 0.272 858 Y C 0.833 176.249 175.900 -0.807 0.000 1.118 858 Y CA 0.152 57.779 58.100 -0.789 0.000 1.248 858 Y CB -0.029 37.899 38.460 -0.887 0.000 1.437 858 Y HN 0.049 nan 8.280 nan 0.000 0.481 859 A N 2.738 124.920 122.820 -1.064 0.000 2.589 859 A HA -0.128 4.197 4.320 0.009 0.000 0.259 859 A C 1.039 178.275 177.584 -0.579 0.000 1.000 859 A CA 0.871 52.394 52.037 -0.856 0.000 0.847 859 A CB -0.189 18.070 19.000 -1.235 0.000 0.885 859 A HN 0.657 nan 8.150 nan 0.000 0.508 860 E N 1.929 121.924 120.200 -0.343 0.000 2.011 860 E HA -0.055 4.300 4.350 0.009 0.000 0.191 860 E C -0.219 176.270 176.600 -0.185 0.000 0.979 860 E CA 0.561 56.806 56.400 -0.259 0.000 0.822 860 E CB -0.164 29.440 29.700 -0.160 0.000 0.782 860 E HN 0.770 nan 8.360 nan 0.000 0.459 861 D N 0.672 121.022 120.400 -0.083 0.000 2.336 861 D HA 0.378 5.024 4.640 0.009 0.000 0.249 861 D C 0.331 176.617 176.300 -0.024 0.000 1.213 861 D CA 0.630 54.613 54.000 -0.028 0.000 0.870 861 D CB 0.900 41.726 40.800 0.043 0.000 1.076 861 D HN 0.309 nan 8.370 nan 0.000 0.483 862 G N 3.574 112.344 108.800 -0.050 0.000 2.650 862 G HA2 -0.138 3.827 3.960 0.009 0.000 0.686 862 G HA3 -0.138 3.827 3.960 0.009 0.000 0.686 862 G C -2.737 171.988 174.900 -0.292 0.000 1.205 862 G CA -1.412 43.681 45.100 -0.012 0.000 0.781 862 G HN 0.307 nan 8.290 nan 0.000 0.648 863 P HA 0.265 nan 4.420 nan 0.000 0.258 863 P C 0.602 177.499 177.300 -0.672 0.000 1.136 863 P CA 1.638 64.589 63.100 -0.249 0.000 0.761 863 P CB 0.214 31.971 31.700 0.095 0.000 0.724 864 G N 2.265 110.783 108.800 -0.470 0.000 3.317 864 G HA2 0.427 4.393 3.960 0.009 0.000 0.308 864 G HA3 0.427 4.393 3.960 0.009 0.000 0.308 864 G C -0.743 173.967 174.900 -0.316 0.000 1.535 864 G CA -0.512 44.275 45.100 -0.521 0.000 0.788 864 G HN 0.364 nan 8.290 nan 0.000 0.478 865 V N 0.323 120.088 119.914 -0.248 0.000 2.320 865 V HA 0.433 4.559 4.120 0.009 0.000 0.265 865 V C 0.596 176.639 176.094 -0.084 0.000 1.048 865 V CA -0.800 61.415 62.300 -0.141 0.000 0.865 865 V CB 0.152 31.872 31.823 -0.173 0.000 1.043 865 V HN 0.421 nan 8.190 nan 0.000 0.474 866 T N 4.934 119.419 114.554 -0.114 0.000 2.867 866 T HA 0.231 4.587 4.350 0.009 0.000 0.297 866 T C 0.135 174.818 174.700 -0.029 0.000 0.989 866 T CA 0.428 62.424 62.100 -0.173 0.000 1.159 866 T CB -0.549 68.213 68.868 -0.178 0.000 0.928 866 T HN 0.796 nan 8.240 nan 0.000 0.538 867 Y N 0.682 121.000 120.300 0.030 0.000 3.001 867 Y HA -0.288 4.268 4.550 0.010 0.000 0.199 867 Y C 1.631 177.537 175.900 0.010 0.000 1.320 867 Y CA 0.487 58.599 58.100 0.021 0.000 0.974 867 Y CB -1.933 36.530 38.460 0.005 0.000 1.291 867 Y HN 0.856 nan 8.280 nan 0.000 0.465 868 H N 1.515 120.579 119.070 -0.009 0.000 2.462 868 H HA -0.105 4.457 4.556 0.009 0.000 0.292 868 H C 0.622 175.867 175.328 -0.137 0.000 1.049 868 H CA 1.455 57.446 56.048 -0.095 0.000 1.334 868 H CB 0.379 29.996 29.762 -0.243 0.000 1.404 868 H HN 0.611 nan 8.280 nan 0.000 0.544 869 Q N -0.079 119.606 119.800 -0.192 0.000 2.457 869 Q HA -0.206 4.139 4.340 0.009 0.000 0.333 869 Q C 1.069 176.886 176.000 -0.306 0.000 1.448 869 Q CA 0.637 56.290 55.803 -0.250 0.000 0.891 869 Q CB -2.043 26.334 28.738 -0.602 0.000 1.142 869 Q HN 0.542 nan 8.270 nan 0.000 0.375 870 L N -0.144 120.865 121.223 -0.356 0.000 2.376 870 L HA -0.105 4.240 4.340 0.009 0.000 0.219 870 L C 2.351 179.145 176.870 -0.126 0.000 1.133 870 L CA 1.883 56.480 54.840 -0.404 0.000 0.816 870 L CB -0.034 41.627 42.059 -0.663 0.000 0.933 870 L HN 0.601 nan 8.230 nan 0.000 0.449 871 T N -1.780 112.770 114.554 -0.007 0.000 2.833 871 T HA -0.248 4.108 4.350 0.009 0.000 0.269 871 T C 1.669 176.446 174.700 0.128 0.000 1.054 871 T CA 1.762 63.909 62.100 0.078 0.000 1.135 871 T CB -0.169 68.771 68.868 0.119 0.000 0.869 871 T HN 0.476 nan 8.240 nan 0.000 0.466 872 H N 0.753 119.828 119.070 0.008 0.000 2.269 872 H HA 0.207 4.769 4.556 0.009 0.000 0.299 872 H C 0.595 176.024 175.328 0.168 0.000 1.058 872 H CA 1.802 57.905 56.048 0.090 0.000 1.246 872 H CB -0.388 29.467 29.762 0.155 0.000 1.376 872 H HN 0.629 nan 8.280 nan 0.000 0.503 873 F N -1.948 118.077 119.950 0.125 0.000 2.565 873 F HA 0.438 4.971 4.527 0.011 0.000 0.313 873 F C 0.358 176.243 175.800 0.143 0.000 1.091 873 F CA -0.849 57.192 58.000 0.068 0.000 0.915 873 F CB 1.712 40.733 39.000 0.035 0.000 1.208 873 F HN -0.031 nan 8.300 nan 0.000 0.453 874 M N 1.727 121.317 119.600 -0.018 0.000 2.188 874 M HA 0.045 4.531 4.480 0.009 0.000 0.310 874 M C 0.847 176.989 176.300 -0.264 0.000 0.993 874 M CA 0.570 55.800 55.300 -0.117 0.000 1.127 874 M CB 0.474 33.066 32.600 -0.013 0.000 1.927 874 M HN 0.936 nan 8.290 nan 0.000 0.655 875 Q N 0.238 119.986 119.800 -0.086 0.000 2.079 875 Q HA -0.038 4.308 4.340 0.009 0.000 0.200 875 Q C 1.161 177.101 176.000 -0.099 0.000 0.974 875 Q CA 1.205 56.962 55.803 -0.076 0.000 0.840 875 Q CB -0.599 28.137 28.738 -0.004 0.000 0.898 875 Q HN 0.576 nan 8.270 nan 0.000 0.430 876 c N 0.927 119.545 118.600 0.028 0.000 3.827 876 c HA -0.143 4.432 4.570 0.009 0.000 0.304 876 c C 0.623 174.698 174.090 -0.024 0.000 1.201 876 c CA 0.674 57.029 56.329 0.043 0.000 2.253 876 c CB -1.970 40.436 42.510 -0.174 0.000 1.398 876 c HN 0.706 nan 8.230 nan 0.000 0.601 877 T N 0.268 114.806 114.554 -0.026 0.000 2.975 877 T HA 0.100 4.456 4.350 0.009 0.000 0.257 877 T C 1.259 175.894 174.700 -0.107 0.000 1.003 877 T CA 0.688 62.749 62.100 -0.065 0.000 0.932 877 T CB 0.268 69.100 68.868 -0.059 0.000 1.087 877 T HN 0.928 nan 8.240 nan 0.000 0.512 878 E N 1.562 121.671 120.200 -0.151 0.000 2.192 878 E HA 0.145 4.501 4.350 0.009 0.000 0.196 878 E C 0.161 176.435 176.600 -0.543 0.000 0.922 878 E CA 0.327 56.557 56.400 -0.282 0.000 0.924 878 E CB -0.216 29.409 29.700 -0.124 0.000 0.911 878 E HN 0.065 nan 8.360 nan 0.000 0.478 879 D N 0.266 120.443 120.400 -0.371 0.000 2.697 879 D HA -0.190 4.456 4.640 0.009 0.000 0.238 879 D C 0.004 176.092 176.300 -0.353 0.000 1.152 879 D CA 0.693 54.548 54.000 -0.241 0.000 0.666 879 D CB -1.156 39.575 40.800 -0.115 0.000 1.037 879 D HN 0.508 nan 8.370 nan 0.000 0.423 880 H N -1.629 117.333 119.070 -0.180 0.000 2.506 880 H HA 0.133 4.695 4.556 0.009 0.000 0.289 880 H C -0.615 174.693 175.328 -0.033 0.000 1.009 880 H CA 1.059 57.007 56.048 -0.165 0.000 1.303 880 H CB -0.666 28.987 29.762 -0.182 0.000 1.453 880 H HN 0.376 nan 8.280 nan 0.000 0.526 881 P HA -0.138 nan 4.420 nan 0.000 0.220 881 P C 0.265 177.724 177.300 0.264 0.000 1.148 881 P CA 1.347 64.540 63.100 0.154 0.000 0.803 881 P CB -0.111 31.641 31.700 0.088 0.000 0.782 882 H N -1.175 117.997 119.070 0.170 0.000 2.746 882 H HA 0.239 4.801 4.556 0.009 0.000 0.269 882 H C 0.917 176.350 175.328 0.175 0.000 1.248 882 H CA -0.516 55.653 56.048 0.203 0.000 1.258 882 H CB -0.374 29.523 29.762 0.226 0.000 1.441 882 H HN -0.241 nan 8.280 nan 0.000 0.508 883 F N 2.360 122.258 119.950 -0.086 0.000 2.091 883 F HA -0.115 4.418 4.527 0.009 0.000 0.299 883 F C 0.961 176.749 175.800 -0.019 0.000 1.103 883 F CA 1.674 59.652 58.000 -0.038 0.000 1.228 883 F CB 0.397 39.365 39.000 -0.052 0.000 0.984 883 F HN 0.543 nan 8.300 nan 0.000 0.477 884 E N -0.929 119.335 120.200 0.106 0.000 2.640 884 E HA 0.447 4.802 4.350 0.009 0.000 0.360 884 E C -0.991 175.676 176.600 0.112 0.000 1.014 884 E CA -0.203 56.253 56.400 0.093 0.000 0.757 884 E CB 0.413 30.170 29.700 0.094 0.000 1.565 884 E HN 0.172 nan 8.360 nan 0.000 0.381 885 G N 3.212 112.157 108.800 0.241 0.000 2.617 885 G HA2 0.269 4.235 3.960 0.009 0.000 0.305 885 G HA3 0.269 4.235 3.960 0.009 0.000 0.305 885 G C -0.941 174.100 174.900 0.236 0.000 1.436 885 G CA -0.896 44.388 45.100 0.306 0.000 1.036 885 G HN 0.318 nan 8.290 nan 0.000 0.589 886 L N 1.492 122.789 121.223 0.123 0.000 2.515 886 L HA 0.442 4.787 4.340 0.009 0.000 0.281 886 L C 0.127 177.015 176.870 0.030 0.000 1.131 886 L CA -0.078 54.797 54.840 0.058 0.000 0.905 886 L CB 0.428 42.512 42.059 0.043 0.000 1.246 886 L HN 0.537 nan 8.230 nan 0.000 0.463 887 D N -0.250 120.137 120.400 -0.022 0.000 2.345 887 D HA 0.081 4.727 4.640 0.009 0.000 0.290 887 D C 0.304 176.610 176.300 0.009 0.000 1.107 887 D CA -0.114 53.856 54.000 -0.050 0.000 0.836 887 D CB 0.432 41.098 40.800 -0.223 0.000 1.406 887 D HN 0.491 nan 8.370 nan 0.000 0.532 888 c N 2.408 121.002 118.600 -0.010 0.000 3.727 888 c HA 0.161 4.737 4.570 0.009 0.000 0.567 888 c C 1.369 175.456 174.090 -0.006 0.000 1.054 888 c CA 0.682 56.986 56.329 -0.041 0.000 1.087 888 c CB -1.938 40.485 42.510 -0.145 0.000 1.365 888 c HN 0.435 nan 8.230 nan 0.000 0.635 889 E N -0.799 119.472 120.200 0.118 0.000 2.626 889 E HA 0.089 4.444 4.350 0.009 0.000 0.198 889 E C 1.078 177.796 176.600 0.196 0.000 0.943 889 E CA -0.162 56.311 56.400 0.121 0.000 1.515 889 E CB -0.430 29.308 29.700 0.063 0.000 1.677 889 E HN 0.489 nan 8.360 nan 0.000 0.897 890 I N 1.044 121.753 120.570 0.231 0.000 2.800 890 I HA -0.116 4.060 4.170 0.009 0.000 0.266 890 I C 1.299 177.541 176.117 0.208 0.000 1.249 890 I CA 0.794 62.216 61.300 0.203 0.000 1.458 890 I CB -0.407 37.677 38.000 0.139 0.000 1.093 890 I HN 0.050 nan 8.210 nan 0.000 0.466 891 F N 1.065 121.039 119.950 0.041 0.000 2.084 891 F HA -0.104 4.430 4.527 0.012 0.000 0.296 891 F C 1.857 177.691 175.800 0.057 0.000 1.111 891 F CA 1.136 59.155 58.000 0.032 0.000 1.224 891 F CB -0.239 38.736 39.000 -0.042 0.000 0.991 891 F HN 0.012 nan 8.300 nan 0.000 0.471 892 E N 0.802 121.143 120.200 0.235 0.000 2.282 892 E HA 0.470 4.825 4.350 0.009 0.000 0.247 892 E C -0.975 175.674 176.600 0.082 0.000 1.113 892 E CA -0.419 56.059 56.400 0.129 0.000 1.095 892 E CB -0.057 29.703 29.700 0.101 0.000 1.328 892 E HN 0.179 nan 8.360 nan 0.000 0.463 893 A N 2.895 125.750 122.820 0.059 0.000 2.325 893 A HA 0.516 4.842 4.320 0.009 0.000 0.333 893 A C -2.125 175.416 177.584 -0.071 0.000 1.155 893 A CA -1.468 50.573 52.037 0.005 0.000 0.814 893 A CB 0.753 19.766 19.000 0.022 0.000 1.206 893 A HN 0.356 nan 8.150 nan 0.000 0.482 894 P HA 0.195 nan 4.420 nan 0.000 0.249 894 P C -0.062 177.122 177.300 -0.194 0.000 1.593 894 P CA 0.498 63.537 63.100 -0.101 0.000 0.896 894 P CB 0.404 32.069 31.700 -0.057 0.000 1.581 895 E N 0.607 120.596 120.200 -0.351 0.000 2.520 895 E HA 0.083 4.439 4.350 0.009 0.000 0.201 895 E C -0.940 175.096 176.600 -0.941 0.000 0.894 895 E CA 0.197 56.214 56.400 -0.637 0.000 1.161 895 E CB -0.467 28.774 29.700 -0.765 0.000 1.137 895 E HN 0.222 nan 8.360 nan 0.000 0.510 896 P HA -0.111 nan 4.420 nan 0.000 0.226 896 P C 1.166 178.228 177.300 -0.396 0.000 1.153 896 P CA 1.209 63.752 63.100 -0.928 0.000 0.777 896 P CB 0.120 31.323 31.700 -0.829 0.000 0.794 897 M N -1.189 118.238 119.600 -0.288 0.000 2.236 897 M HA -0.061 4.424 4.480 0.009 0.000 0.266 897 M C 2.232 178.450 176.300 -0.136 0.000 1.070 897 M CA 1.572 56.786 55.300 -0.145 0.000 1.137 897 M CB -0.932 31.621 32.600 -0.077 0.000 1.378 897 M HN -0.099 nan 8.290 nan 0.000 0.426 898 T N 0.326 114.769 114.554 -0.185 0.000 3.007 898 T HA -0.089 4.267 4.350 0.009 0.000 0.270 898 T C 1.704 176.304 174.700 -0.167 0.000 1.107 898 T CA 0.893 62.904 62.100 -0.149 0.000 1.118 898 T CB 0.071 68.848 68.868 -0.153 0.000 0.889 898 T HN 0.156 nan 8.240 nan 0.000 0.506 899 M N 0.748 120.234 119.600 -0.190 0.000 2.099 899 M HA 0.111 4.596 4.480 0.009 0.000 0.262 899 M C 2.770 178.971 176.300 -0.165 0.000 1.067 899 M CA 1.514 56.713 55.300 -0.169 0.000 1.124 899 M CB -1.579 30.977 32.600 -0.073 0.000 1.353 899 M HN 0.346 nan 8.290 nan 0.000 0.410 900 A N 0.059 122.807 122.820 -0.121 0.000 1.877 900 A HA -0.164 4.161 4.320 0.009 0.000 0.216 900 A C 2.267 179.796 177.584 -0.092 0.000 1.186 900 A CA 1.434 53.414 52.037 -0.095 0.000 0.620 900 A CB -1.063 17.903 19.000 -0.056 0.000 0.822 900 A HN 0.403 nan 8.150 nan 0.000 0.443 901 L N -0.208 120.977 121.223 -0.063 0.000 2.042 901 L HA -0.160 4.186 4.340 0.009 0.000 0.210 901 L C 2.716 179.537 176.870 -0.083 0.000 1.076 901 L CA 2.370 57.196 54.840 -0.024 0.000 0.749 901 L CB -0.481 41.606 42.059 0.047 0.000 0.893 901 L HN 0.378 nan 8.230 nan 0.000 0.432 902 S N -1.784 113.839 115.700 -0.128 0.000 2.399 902 S HA -0.133 4.343 4.470 0.009 0.000 0.231 902 S C 1.885 176.292 174.600 -0.322 0.000 1.022 902 S CA 1.307 59.335 58.200 -0.286 0.000 0.983 902 S CB -0.230 62.666 63.200 -0.507 0.000 0.803 902 S HN 0.298 nan 8.310 nan 0.000 0.480 903 V N 1.579 121.349 119.914 -0.241 0.000 2.283 903 V HA -0.063 4.063 4.120 0.009 0.000 0.243 903 V C 2.354 178.366 176.094 -0.137 0.000 1.039 903 V CA 1.635 63.824 62.300 -0.186 0.000 1.016 903 V CB -0.705 31.020 31.823 -0.164 0.000 0.650 903 V HN 0.464 nan 8.190 nan 0.000 0.449 904 L N 0.093 121.244 121.223 -0.121 0.000 2.012 904 L HA -0.155 4.190 4.340 0.009 0.000 0.210 904 L C 2.377 179.180 176.870 -0.112 0.000 1.073 904 L CA 1.937 56.721 54.840 -0.093 0.000 0.748 904 L CB -0.543 41.474 42.059 -0.070 0.000 0.891 904 L HN 0.127 nan 8.230 nan 0.000 0.431 905 V N -0.832 118.975 119.914 -0.179 0.000 2.287 905 V HA -0.341 3.785 4.120 0.009 0.000 0.248 905 V C 2.461 178.464 176.094 -0.151 0.000 1.053 905 V CA 2.373 64.537 62.300 -0.226 0.000 1.027 905 V CB -1.062 30.448 31.823 -0.521 0.000 0.646 905 V HN 0.564 nan 8.190 nan 0.000 0.447 906 T N 1.183 115.649 114.554 -0.148 0.000 2.777 906 T HA -0.098 4.258 4.350 0.009 0.000 0.266 906 T C 1.827 176.515 174.700 -0.020 0.000 1.040 906 T CA 1.903 63.965 62.100 -0.063 0.000 1.141 906 T CB -0.297 68.540 68.868 -0.051 0.000 0.868 906 T HN 0.615 nan 8.240 nan 0.000 0.444 907 I N 0.188 120.745 120.570 -0.021 0.000 2.226 907 I HA -0.077 4.099 4.170 0.009 0.000 0.245 907 I C 2.220 178.359 176.117 0.037 0.000 1.100 907 I CA 1.518 62.830 61.300 0.019 0.000 1.374 907 I CB -0.664 37.359 38.000 0.037 0.000 1.057 907 I HN 0.031 nan 8.210 nan 0.000 0.413 908 E N 1.108 121.323 120.200 0.025 0.000 2.265 908 E HA -0.124 4.231 4.350 0.009 0.000 0.196 908 E C 2.198 178.896 176.600 0.163 0.000 0.996 908 E CA 1.089 57.545 56.400 0.092 0.000 0.832 908 E CB -0.216 29.497 29.700 0.021 0.000 0.756 908 E HN 0.520 nan 8.360 nan 0.000 0.491 909 M N -0.397 119.245 119.600 0.069 0.000 2.156 909 M HA -0.103 4.382 4.480 0.009 0.000 0.264 909 M C 2.457 178.779 176.300 0.035 0.000 1.067 909 M CA 0.806 56.133 55.300 0.045 0.000 1.131 909 M CB -1.271 31.343 32.600 0.023 0.000 1.368 909 M HN 0.155 nan 8.290 nan 0.000 0.416 910 C N 0.321 119.644 119.300 0.038 0.000 2.446 910 C HA -0.102 4.363 4.460 0.009 0.000 0.277 910 C C 2.502 177.511 174.990 0.033 0.000 1.275 910 C CA 0.977 60.008 59.018 0.023 0.000 1.727 910 C CB -1.404 26.345 27.740 0.016 0.000 2.010 910 C HN 0.593 nan 8.230 nan 0.000 0.486 911 N N 0.593 119.346 118.700 0.088 0.000 2.459 911 N HA 0.008 4.754 4.740 0.009 0.000 0.181 911 N C 1.549 177.168 175.510 0.181 0.000 1.046 911 N CA 1.022 54.164 53.050 0.152 0.000 0.904 911 N CB -0.078 38.524 38.487 0.192 0.000 0.964 911 N HN 0.491 nan 8.380 nan 0.000 0.444 912 A N 0.011 122.867 122.820 0.059 0.000 1.898 912 A HA 0.027 4.353 4.320 0.009 0.000 0.214 912 A C 2.079 179.538 177.584 -0.208 0.000 1.183 912 A CA 0.653 52.481 52.037 -0.348 0.000 0.622 912 A CB -0.489 18.309 19.000 -0.337 0.000 0.824 912 A HN 0.268 nan 8.150 nan 0.000 0.444 913 L N -0.253 120.913 121.223 -0.095 0.000 2.027 913 L HA -0.191 4.155 4.340 0.009 0.000 0.206 913 L C 2.183 179.006 176.870 -0.078 0.000 1.074 913 L CA 1.265 56.057 54.840 -0.080 0.000 0.745 913 L CB -0.811 41.218 42.059 -0.050 0.000 0.898 913 L HN 0.329 nan 8.230 nan 0.000 0.433 914 N N -0.074 118.597 118.700 -0.049 0.000 2.258 914 N HA -0.159 4.586 4.740 0.009 0.000 0.187 914 N C 1.624 177.109 175.510 -0.041 0.000 1.012 914 N CA 1.339 54.363 53.050 -0.043 0.000 0.870 914 N CB -0.198 38.283 38.487 -0.010 0.000 0.977 914 N HN 0.163 nan 8.380 nan 0.000 0.434 915 S N 0.062 115.738 115.700 -0.040 0.000 2.634 915 S HA 0.255 4.731 4.470 0.009 0.000 0.221 915 S C 1.710 176.266 174.600 -0.074 0.000 0.952 915 S CA -0.289 57.893 58.200 -0.031 0.000 0.930 915 S CB 0.302 63.495 63.200 -0.013 0.000 0.780 915 S HN 0.227 nan 8.310 nan 0.000 0.498 916 L N 0.372 121.543 121.223 -0.088 0.000 2.093 916 L HA 0.052 4.397 4.340 0.009 0.000 0.208 916 L C 1.320 178.147 176.870 -0.072 0.000 1.085 916 L CA 0.813 55.604 54.840 -0.080 0.000 0.755 916 L CB 0.064 42.067 42.059 -0.093 0.000 0.904 916 L HN 0.237 nan 8.230 nan 0.000 0.435 917 S N -2.187 113.462 115.700 -0.084 0.000 2.704 917 S HA 0.203 4.678 4.470 0.009 0.000 0.296 917 S C 0.492 175.036 174.600 -0.094 0.000 1.138 917 S CA -0.710 57.436 58.200 -0.090 0.000 0.875 917 S CB 1.833 64.963 63.200 -0.117 0.000 1.151 917 S HN 0.173 nan 8.310 nan 0.000 0.500 918 E N 0.009 120.150 120.200 -0.097 0.000 2.251 918 E HA 0.150 4.506 4.350 0.009 0.000 0.194 918 E C 0.422 176.929 176.600 -0.155 0.000 0.964 918 E CA 0.366 56.709 56.400 -0.094 0.000 0.868 918 E CB 0.134 29.802 29.700 -0.053 0.000 0.828 918 E HN 0.617 nan 8.360 nan 0.000 0.481 919 N N -0.557 118.009 118.700 -0.223 0.000 2.372 919 N HA 0.019 4.764 4.740 0.009 0.000 0.242 919 N C -0.212 174.796 175.510 -0.836 0.000 1.124 919 N CA -0.021 52.781 53.050 -0.413 0.000 0.824 919 N CB 0.455 38.810 38.487 -0.219 0.000 1.468 919 N HN -0.001 nan 8.380 nan 0.000 0.470 920 Q N 1.688 121.207 119.800 -0.468 0.000 2.304 920 Q HA 0.270 4.616 4.340 0.009 0.000 0.260 920 Q C -0.141 175.684 176.000 -0.292 0.000 0.965 920 Q CA 0.094 55.686 55.803 -0.353 0.000 0.898 920 Q CB 0.955 29.647 28.738 -0.077 0.000 1.196 920 Q HN 0.086 nan 8.270 nan 0.000 0.402 921 S N 2.010 117.617 115.700 -0.156 0.000 2.569 921 S HA -0.048 4.428 4.470 0.009 0.000 0.274 921 S C 1.176 175.730 174.600 -0.078 0.000 1.353 921 S CA -0.263 57.907 58.200 -0.050 0.000 1.023 921 S CB 0.361 63.641 63.200 0.132 0.000 0.876 921 S HN 0.479 nan 8.310 nan 0.000 0.540 922 L N 1.128 122.296 121.223 -0.091 0.000 2.465 922 L HA 0.068 4.414 4.340 0.009 0.000 0.224 922 L C 1.948 178.714 176.870 -0.173 0.000 1.145 922 L CA 0.791 55.544 54.840 -0.145 0.000 0.834 922 L CB -0.352 41.631 42.059 -0.126 0.000 0.944 922 L HN 0.555 nan 8.230 nan 0.000 0.451 923 M N -1.456 118.093 119.600 -0.084 0.000 2.441 923 M HA 0.078 4.563 4.480 0.009 0.000 0.244 923 M C 1.935 178.215 176.300 -0.034 0.000 1.122 923 M CA 1.149 56.416 55.300 -0.056 0.000 1.041 923 M CB -0.133 32.473 32.600 0.010 0.000 1.438 923 M HN 0.004 nan 8.290 nan 0.000 0.484 924 R N -1.552 118.933 120.500 -0.024 0.000 2.142 924 R HA 0.303 4.649 4.340 0.009 0.000 0.204 924 R C 0.239 176.508 176.300 -0.052 0.000 1.059 924 R CA 0.386 56.490 56.100 0.007 0.000 1.055 924 R CB 0.589 30.948 30.300 0.099 0.000 0.976 924 R HN 0.226 nan 8.270 nan 0.000 0.483 925 M N 2.209 121.745 119.600 -0.106 0.000 2.236 925 M HA 0.333 4.819 4.480 0.009 0.000 0.228 925 M C -2.618 173.524 176.300 -0.264 0.000 0.906 925 M CA -2.055 53.156 55.300 -0.149 0.000 0.761 925 M CB 1.592 34.130 32.600 -0.102 0.000 1.439 925 M HN -0.221 nan 8.290 nan 0.000 0.394 926 P HA 0.084 nan 4.420 nan 0.000 0.269 926 P C -2.144 174.789 177.300 -0.611 0.000 1.211 926 P CA -0.584 62.024 63.100 -0.821 0.000 0.781 926 P CB -0.007 30.619 31.700 -1.790 0.000 0.877 927 P HA -0.121 nan 4.420 nan 0.000 0.221 927 P C 0.467 177.723 177.300 -0.072 0.000 1.145 927 P CA 1.179 64.159 63.100 -0.199 0.000 0.795 927 P CB -0.359 31.295 31.700 -0.075 0.000 0.775 928 W N -2.221 119.076 121.300 -0.004 0.000 3.405 928 W HA 0.267 4.931 4.660 0.007 0.000 0.300 928 W C 0.700 177.219 176.519 -0.001 0.000 1.286 928 W CA -0.143 57.197 57.345 -0.008 0.000 1.762 928 W CB -1.581 27.872 29.460 -0.012 0.000 1.087 928 W HN -0.329 nan 8.180 nan 0.000 0.703 929 V N 1.560 121.448 119.914 -0.043 0.000 2.871 929 V HA -0.124 4.001 4.120 0.009 0.000 0.256 929 V C 0.724 176.858 176.094 0.067 0.000 1.082 929 V CA 1.327 63.635 62.300 0.012 0.000 1.105 929 V CB -0.792 30.985 31.823 -0.076 0.000 0.713 929 V HN 0.294 nan 8.190 nan 0.000 0.473 930 N N 0.195 118.933 118.700 0.064 0.000 2.564 930 N HA 0.262 5.008 4.740 0.009 0.000 0.248 930 N C 0.341 175.906 175.510 0.093 0.000 0.986 930 N CA -0.253 52.858 53.050 0.103 0.000 0.921 930 N CB 1.571 40.115 38.487 0.094 0.000 1.136 930 N HN 0.117 nan 8.380 nan 0.000 0.509 931 I N 1.716 122.324 120.570 0.063 0.000 2.546 931 I HA 0.015 4.190 4.170 0.009 0.000 0.255 931 I C 1.480 177.520 176.117 -0.128 0.000 1.163 931 I CA 0.748 62.011 61.300 -0.062 0.000 1.457 931 I CB -0.224 37.671 38.000 -0.176 0.000 1.092 931 I HN 0.489 nan 8.210 nan 0.000 0.434 932 W N 0.130 121.406 121.300 -0.040 0.000 2.467 932 W HA 0.002 4.666 4.660 0.007 0.000 0.275 932 W C 2.306 178.790 176.519 -0.059 0.000 1.239 932 W CA 0.202 57.495 57.345 -0.087 0.000 1.266 932 W CB -0.217 29.140 29.460 -0.172 0.000 1.112 932 W HN 0.116 nan 8.180 nan 0.000 0.576 933 L N 0.111 121.432 121.223 0.164 0.000 2.044 933 L HA -0.074 4.272 4.340 0.009 0.000 0.205 933 L C 2.058 178.951 176.870 0.039 0.000 1.075 933 L CA 1.859 56.742 54.840 0.072 0.000 0.747 933 L CB -1.047 41.029 42.059 0.029 0.000 0.903 933 L HN -0.032 nan 8.230 nan 0.000 0.435 934 L N -0.372 120.871 121.223 0.034 0.000 2.012 934 L HA -0.159 4.186 4.340 0.009 0.000 0.210 934 L C 2.556 179.431 176.870 0.009 0.000 1.073 934 L CA 1.515 56.369 54.840 0.023 0.000 0.748 934 L CB -1.558 40.517 42.059 0.028 0.000 0.891 934 L HN 0.451 nan 8.230 nan 0.000 0.431 935 G N -0.537 108.255 108.800 -0.014 0.000 2.462 935 G HA2 -0.292 3.673 3.960 0.009 0.000 0.220 935 G HA3 -0.292 3.673 3.960 0.009 0.000 0.220 935 G C 1.783 176.703 174.900 0.033 0.000 1.121 935 G CA 1.173 46.260 45.100 -0.021 0.000 0.758 935 G HN 0.532 nan 8.290 nan 0.000 0.559 936 S N 0.189 115.922 115.700 0.054 0.000 2.421 936 S HA 0.072 4.547 4.470 0.009 0.000 0.224 936 S C 2.256 176.872 174.600 0.028 0.000 1.035 936 S CA 0.428 58.656 58.200 0.046 0.000 0.953 936 S CB -0.151 63.073 63.200 0.040 0.000 0.810 936 S HN 0.097 nan 8.310 nan 0.000 0.497 937 I N 2.384 122.967 120.570 0.022 0.000 2.151 937 I HA -0.200 3.975 4.170 0.009 0.000 0.243 937 I C 2.685 178.825 176.117 0.038 0.000 1.080 937 I CA 0.794 62.107 61.300 0.023 0.000 1.339 937 I CB -1.874 36.139 38.000 0.022 0.000 1.039 937 I HN 0.417 nan 8.210 nan 0.000 0.409 938 C N 0.226 119.550 119.300 0.039 0.000 2.436 938 C HA -0.151 4.315 4.460 0.009 0.000 0.277 938 C C 2.859 177.890 174.990 0.069 0.000 1.241 938 C CA 0.399 59.447 59.018 0.051 0.000 1.721 938 C CB -1.172 26.586 27.740 0.030 0.000 2.043 938 C HN 0.494 nan 8.230 nan 0.000 0.472 939 L N 0.704 121.962 121.223 0.059 0.000 2.141 939 L HA -0.073 4.273 4.340 0.009 0.000 0.209 939 L C 2.609 179.531 176.870 0.087 0.000 1.094 939 L CA 1.925 56.809 54.840 0.073 0.000 0.763 939 L CB -0.713 41.382 42.059 0.061 0.000 0.908 939 L HN 0.321 nan 8.230 nan 0.000 0.437 940 S N -1.243 114.491 115.700 0.058 0.000 2.345 940 S HA -0.152 4.324 4.470 0.009 0.000 0.220 940 S C 1.982 176.636 174.600 0.090 0.000 1.031 940 S CA 1.464 59.687 58.200 0.040 0.000 0.996 940 S CB -0.147 63.051 63.200 -0.003 0.000 0.882 940 S HN 0.405 nan 8.310 nan 0.000 0.445 941 M N 0.916 120.565 119.600 0.081 0.000 2.229 941 M HA 0.015 4.500 4.480 0.009 0.000 0.264 941 M C 2.450 178.851 176.300 0.169 0.000 1.063 941 M CA 0.958 56.309 55.300 0.086 0.000 1.114 941 M CB -1.552 31.098 32.600 0.083 0.000 1.387 941 M HN 0.361 nan 8.290 nan 0.000 0.420 942 S N 0.521 116.351 115.700 0.216 0.000 2.368 942 S HA -0.014 4.462 4.470 0.009 0.000 0.224 942 S C 1.866 176.638 174.600 0.287 0.000 1.029 942 S CA 0.838 59.209 58.200 0.286 0.000 0.988 942 S CB -0.054 63.252 63.200 0.177 0.000 0.838 942 S HN 0.447 nan 8.310 nan 0.000 0.462 943 L N 0.502 121.886 121.223 0.267 0.000 2.376 943 L HA -0.004 4.342 4.340 0.009 0.000 0.219 943 L C 2.300 179.394 176.870 0.373 0.000 1.133 943 L CA 1.052 56.089 54.840 0.329 0.000 0.816 943 L CB -0.460 41.842 42.059 0.405 0.000 0.933 943 L HN 0.425 nan 8.230 nan 0.000 0.449 944 H N -0.169 119.033 119.070 0.220 0.000 2.389 944 H HA -0.129 4.436 4.556 0.015 0.000 0.299 944 H C 1.968 177.287 175.328 -0.016 0.000 1.081 944 H CA 1.613 57.710 56.048 0.081 0.000 1.345 944 H CB -0.062 29.688 29.762 -0.021 0.000 1.393 944 H HN 0.214 nan 8.280 nan 0.000 0.520 945 F N -0.897 119.108 119.950 0.092 0.000 2.186 945 F HA -0.109 4.424 4.527 0.011 0.000 0.299 945 F C 2.271 178.094 175.800 0.038 0.000 1.090 945 F CA 0.372 58.389 58.000 0.029 0.000 1.307 945 F CB -0.209 38.732 39.000 -0.098 0.000 1.019 945 F HN 0.187 nan 8.300 nan 0.000 0.489 946 L N 0.750 122.090 121.223 0.195 0.000 2.012 946 L HA -0.186 4.160 4.340 0.009 0.000 0.210 946 L C 1.954 178.853 176.870 0.050 0.000 1.073 946 L CA 1.730 56.642 54.840 0.119 0.000 0.748 946 L CB -0.741 41.386 42.059 0.112 0.000 0.891 946 L HN 0.221 nan 8.230 nan 0.000 0.431 947 I N -3.556 116.951 120.570 -0.105 0.000 3.605 947 I HA 0.015 4.191 4.170 0.009 0.000 0.301 947 I C 1.408 177.464 176.117 -0.101 0.000 1.267 947 I CA 0.922 62.110 61.300 -0.188 0.000 1.236 947 I CB -0.361 37.255 38.000 -0.640 0.000 1.010 947 I HN 0.116 nan 8.210 nan 0.000 0.491 948 L N -1.855 119.372 121.223 0.007 0.000 2.948 948 L HA 0.334 4.679 4.340 0.009 0.000 0.259 948 L C 1.375 178.301 176.870 0.092 0.000 1.136 948 L CA 0.767 55.632 54.840 0.042 0.000 0.959 948 L CB 0.138 42.224 42.059 0.045 0.000 1.370 948 L HN 0.135 nan 8.230 nan 0.000 0.552 949 Y N -1.823 118.496 120.300 0.031 0.000 2.740 949 Y HA 0.319 4.874 4.550 0.007 0.000 0.257 949 Y C 0.859 176.772 175.900 0.022 0.000 1.064 949 Y CA -0.090 58.034 58.100 0.039 0.000 1.351 949 Y CB 0.039 38.530 38.460 0.051 0.000 1.439 949 Y HN -0.430 nan 8.280 nan 0.000 0.488 950 V N 3.734 123.764 119.914 0.193 0.000 2.452 950 V HA -0.120 4.006 4.120 0.009 0.000 0.286 950 V C 0.748 176.880 176.094 0.062 0.000 0.995 950 V CA 0.199 62.561 62.300 0.104 0.000 1.116 950 V CB 0.045 31.917 31.823 0.082 0.000 0.954 950 V HN 0.419 nan 8.190 nan 0.000 0.473 951 D N 6.765 127.190 120.400 0.040 0.000 2.116 951 D HA -0.136 4.510 4.640 0.009 0.000 0.193 951 D C -0.191 176.114 176.300 0.009 0.000 0.998 951 D CA 1.729 55.739 54.000 0.016 0.000 0.836 951 D CB -1.011 39.792 40.800 0.006 0.000 0.951 951 D HN 0.485 nan 8.370 nan 0.000 0.449 952 P HA -0.154 nan 4.420 nan 0.000 0.218 952 P C 1.685 178.979 177.300 -0.010 0.000 1.152 952 P CA 1.092 64.191 63.100 -0.002 0.000 0.857 952 P CB -0.104 31.599 31.700 0.005 0.000 0.787 953 L N -0.820 120.409 121.223 0.010 0.000 2.084 953 L HA 0.065 4.410 4.340 0.009 0.000 0.202 953 L C -0.678 176.227 176.870 0.060 0.000 1.074 953 L CA 0.919 55.773 54.840 0.023 0.000 0.757 953 L CB -2.406 39.683 42.059 0.049 0.000 0.918 953 L HN -0.041 nan 8.230 nan 0.000 0.444 954 P HA -0.130 nan 4.420 nan 0.000 0.261 954 P C 1.039 178.346 177.300 0.012 0.000 1.297 954 P CA 1.161 64.298 63.100 0.062 0.000 0.757 954 P CB 0.143 31.849 31.700 0.011 0.000 1.149 955 M N -0.087 119.498 119.600 -0.026 0.000 2.429 955 M HA 0.099 4.585 4.480 0.009 0.000 0.265 955 M C 1.962 178.198 176.300 -0.107 0.000 1.120 955 M CA 1.109 56.376 55.300 -0.055 0.000 1.173 955 M CB -0.614 31.954 32.600 -0.054 0.000 1.343 955 M HN -0.115 nan 8.290 nan 0.000 0.464 956 I N -2.562 117.880 120.570 -0.214 0.000 2.761 956 I HA 0.051 4.226 4.170 0.009 0.000 0.261 956 I C 0.561 176.369 176.117 -0.515 0.000 1.198 956 I CA 0.649 61.716 61.300 -0.387 0.000 1.482 956 I CB -0.289 37.392 38.000 -0.532 0.000 1.100 956 I HN -0.022 nan 8.210 nan 0.000 0.445 957 F N 0.802 120.710 119.950 -0.070 0.000 2.808 957 F HA 0.564 5.099 4.527 0.013 0.000 0.257 957 F C 0.992 176.749 175.800 -0.071 0.000 1.286 957 F CA -0.814 57.142 58.000 -0.073 0.000 0.999 957 F CB -0.159 38.769 39.000 -0.119 0.000 2.005 957 F HN -0.324 nan 8.300 nan 0.000 0.528 958 K N -0.429 120.064 120.400 0.154 0.000 2.359 958 K HA 0.608 4.934 4.320 0.009 0.000 0.261 958 K C -1.620 174.969 176.600 -0.018 0.000 1.050 958 K CA -0.649 55.652 56.287 0.023 0.000 1.053 958 K CB 0.376 32.864 32.500 -0.020 0.000 1.492 958 K HN 0.196 nan 8.250 nan 0.000 0.640 959 L N 1.027 122.213 121.223 -0.062 0.000 2.330 959 L HA 0.425 4.770 4.340 0.009 0.000 0.271 959 L C -0.892 175.928 176.870 -0.083 0.000 1.013 959 L CA -0.491 54.303 54.840 -0.076 0.000 0.816 959 L CB 1.200 43.215 42.059 -0.073 0.000 1.287 959 L HN 0.529 nan 8.230 nan 0.000 0.435 960 K N 2.705 123.042 120.400 -0.106 0.000 2.448 960 K HA 0.393 4.719 4.320 0.009 0.000 0.278 960 K C -0.277 176.346 176.600 0.039 0.000 1.009 960 K CA 0.280 56.524 56.287 -0.071 0.000 0.995 960 K CB 0.335 32.651 32.500 -0.306 0.000 0.917 960 K HN 0.618 nan 8.250 nan 0.000 0.481 961 A N 5.386 128.305 122.820 0.165 0.000 3.126 961 A HA 0.158 4.484 4.320 0.009 0.000 0.268 961 A C 1.069 178.902 177.584 0.415 0.000 1.605 961 A CA -0.675 51.491 52.037 0.214 0.000 1.305 961 A CB -0.671 18.368 19.000 0.064 0.000 1.160 961 A HN 0.942 nan 8.150 nan 0.000 0.609 962 L N -0.021 121.377 121.223 0.291 0.000 1.976 962 L HA -0.230 4.116 4.340 0.009 0.000 0.223 962 L C 0.627 177.702 176.870 0.342 0.000 1.081 962 L CA 1.300 56.311 54.840 0.285 0.000 0.784 962 L CB -0.413 41.748 42.059 0.171 0.000 0.896 962 L HN 0.568 nan 8.230 nan 0.000 0.438 963 D N -0.530 120.059 120.400 0.316 0.000 2.472 963 D HA -0.018 4.628 4.640 0.009 0.000 0.237 963 D C 1.068 177.581 176.300 0.355 0.000 1.141 963 D CA 0.287 54.457 54.000 0.284 0.000 0.875 963 D CB 0.617 41.571 40.800 0.257 0.000 1.192 963 D HN 0.078 nan 8.370 nan 0.000 0.450 964 L N 1.161 122.536 121.223 0.253 0.000 2.179 964 L HA -0.110 4.236 4.340 0.009 0.000 0.208 964 L C 2.222 179.242 176.870 0.249 0.000 1.096 964 L CA 0.862 55.847 54.840 0.243 0.000 0.779 964 L CB -0.297 41.847 42.059 0.141 0.000 0.922 964 L HN 0.455 nan 8.230 nan 0.000 0.443 965 T N -1.031 113.659 114.554 0.226 0.000 2.788 965 T HA -0.267 4.089 4.350 0.009 0.000 0.268 965 T C 1.863 176.709 174.700 0.243 0.000 1.044 965 T CA 1.310 63.548 62.100 0.230 0.000 1.139 965 T CB -0.105 68.917 68.868 0.258 0.000 0.867 965 T HN 0.312 nan 8.240 nan 0.000 0.454 966 Q N -0.824 119.152 119.800 0.292 0.000 2.079 966 Q HA -0.073 4.272 4.340 0.009 0.000 0.200 966 Q C 1.863 177.908 176.000 0.075 0.000 0.974 966 Q CA 1.367 57.318 55.803 0.246 0.000 0.840 966 Q CB -0.099 28.831 28.738 0.320 0.000 0.898 966 Q HN 0.623 nan 8.270 nan 0.000 0.430 967 W N -0.535 120.810 121.300 0.074 0.000 2.584 967 W HA -0.049 4.610 4.660 -0.001 0.000 0.264 967 W C 1.529 178.048 176.519 0.000 0.000 1.264 967 W CA 0.070 57.441 57.345 0.044 0.000 1.306 967 W CB 0.098 29.615 29.460 0.095 0.000 1.110 967 W HN 0.196 nan 8.180 nan 0.000 0.606 968 L N -0.664 120.678 121.223 0.198 0.000 2.056 968 L HA -0.178 4.168 4.340 0.009 0.000 0.207 968 L C 2.401 179.248 176.870 -0.038 0.000 1.078 968 L CA 1.689 56.584 54.840 0.093 0.000 0.749 968 L CB -1.191 40.923 42.059 0.092 0.000 0.901 968 L HN -0.029 nan 8.230 nan 0.000 0.433 969 M N -1.613 117.889 119.600 -0.163 0.000 2.213 969 M HA -0.128 4.358 4.480 0.009 0.000 0.263 969 M C 2.061 178.142 176.300 -0.365 0.000 1.062 969 M CA 1.323 56.387 55.300 -0.394 0.000 1.105 969 M CB -0.266 31.830 32.600 -0.840 0.000 1.385 969 M HN 0.023 nan 8.290 nan 0.000 0.417 970 V N 0.031 119.768 119.914 -0.295 0.000 2.287 970 V HA -0.294 3.832 4.120 0.009 0.000 0.248 970 V C 2.253 178.266 176.094 -0.135 0.000 1.053 970 V CA 1.931 64.069 62.300 -0.271 0.000 1.027 970 V CB -0.661 30.925 31.823 -0.396 0.000 0.646 970 V HN 0.512 nan 8.190 nan 0.000 0.447 971 L N -0.910 120.292 121.223 -0.036 0.000 2.072 971 L HA -0.060 4.286 4.340 0.009 0.000 0.205 971 L C 2.502 179.362 176.870 -0.015 0.000 1.079 971 L CA 1.183 56.032 54.840 0.016 0.000 0.752 971 L CB -0.603 41.504 42.059 0.079 0.000 0.906 971 L HN 0.137 nan 8.230 nan 0.000 0.436 972 K N 0.194 120.563 120.400 -0.052 0.000 2.439 972 K HA -0.037 4.289 4.320 0.009 0.000 0.197 972 K C 1.798 178.355 176.600 -0.072 0.000 1.041 972 K CA 1.002 57.255 56.287 -0.058 0.000 0.970 972 K CB 0.119 32.569 32.500 -0.083 0.000 0.773 972 K HN 0.231 nan 8.250 nan 0.000 0.479 973 I N -0.417 120.085 120.570 -0.112 0.000 3.708 973 I HA -0.064 4.112 4.170 0.009 0.000 0.302 973 I C 1.467 177.581 176.117 -0.006 0.000 1.255 973 I CA 0.535 61.768 61.300 -0.111 0.000 1.362 973 I CB 0.534 38.394 38.000 -0.233 0.000 1.100 973 I HN -0.113 nan 8.210 nan 0.000 0.434 974 S N -0.390 115.315 115.700 0.008 0.000 2.566 974 S HA 0.189 4.665 4.470 0.009 0.000 0.234 974 S C 1.658 176.308 174.600 0.083 0.000 1.075 974 S CA 0.001 58.239 58.200 0.062 0.000 0.926 974 S CB 0.011 63.208 63.200 -0.005 0.000 0.811 974 S HN 0.155 nan 8.310 nan 0.000 0.518 975 L N 2.137 123.387 121.223 0.045 0.000 2.191 975 L HA 0.012 4.357 4.340 0.009 0.000 0.212 975 L C -1.200 175.674 176.870 0.007 0.000 1.103 975 L CA 1.495 56.351 54.840 0.027 0.000 0.769 975 L CB -2.287 39.788 42.059 0.027 0.000 0.908 975 L HN 0.206 nan 8.230 nan 0.000 0.438 976 P HA -0.090 nan 4.420 nan 0.000 0.231 976 P C 1.927 179.099 177.300 -0.214 0.000 1.158 976 P CA 0.561 63.638 63.100 -0.037 0.000 0.763 976 P CB 0.051 31.782 31.700 0.052 0.000 0.805 977 V N -0.395 119.382 119.914 -0.229 0.000 2.548 977 V HA -0.183 3.943 4.120 0.009 0.000 0.249 977 V C 2.027 177.998 176.094 -0.205 0.000 1.055 977 V CA 1.312 63.392 62.300 -0.368 0.000 1.065 977 V CB -0.771 30.939 31.823 -0.187 0.000 0.681 977 V HN -0.010 nan 8.190 nan 0.000 0.462 978 I N 0.872 121.376 120.570 -0.110 0.000 2.118 978 I HA -0.210 3.966 4.170 0.009 0.000 0.241 978 I C 2.653 178.720 176.117 -0.082 0.000 1.070 978 I CA 2.132 63.388 61.300 -0.074 0.000 1.327 978 I CB -1.872 36.105 38.000 -0.038 0.000 1.034 978 I HN 0.428 nan 8.210 nan 0.000 0.405 979 G N 0.865 109.614 108.800 -0.084 0.000 2.418 979 G HA2 -0.255 3.711 3.960 0.009 0.000 0.217 979 G HA3 -0.255 3.711 3.960 0.009 0.000 0.217 979 G C 1.756 176.607 174.900 -0.081 0.000 1.158 979 G CA 0.812 45.874 45.100 -0.064 0.000 0.771 979 G HN 0.332 nan 8.290 nan 0.000 0.545 980 L N 0.828 121.955 121.223 -0.159 0.000 1.976 980 L HA 0.004 4.350 4.340 0.009 0.000 0.209 980 L C 2.283 179.090 176.870 -0.105 0.000 1.071 980 L CA 2.748 57.492 54.840 -0.159 0.000 0.746 980 L CB -0.758 41.113 42.059 -0.314 0.000 0.890 980 L HN 0.205 nan 8.230 nan 0.000 0.432 981 D N -0.769 119.551 120.400 -0.134 0.000 2.104 981 D HA -0.269 4.377 4.640 0.009 0.000 0.194 981 D C 2.099 178.361 176.300 -0.063 0.000 0.994 981 D CA 1.424 55.355 54.000 -0.114 0.000 0.830 981 D CB -0.059 40.668 40.800 -0.121 0.000 0.959 981 D HN 0.475 nan 8.370 nan 0.000 0.452 982 E N 0.085 120.255 120.200 -0.050 0.000 2.070 982 E HA -0.174 4.182 4.350 0.009 0.000 0.197 982 E C 2.196 178.823 176.600 0.045 0.000 1.004 982 E CA 1.070 57.462 56.400 -0.013 0.000 0.805 982 E CB -0.406 29.290 29.700 -0.006 0.000 0.744 982 E HN 0.331 nan 8.360 nan 0.000 0.451 983 I N 0.422 121.020 120.570 0.046 0.000 2.118 983 I HA -0.304 3.871 4.170 0.009 0.000 0.241 983 I C 2.444 178.646 176.117 0.142 0.000 1.070 983 I CA 1.392 62.744 61.300 0.087 0.000 1.327 983 I CB -1.096 36.947 38.000 0.071 0.000 1.034 983 I HN 0.250 nan 8.210 nan 0.000 0.405 984 L N 0.035 121.346 121.223 0.145 0.000 2.109 984 L HA -0.177 4.168 4.340 0.009 0.000 0.207 984 L C 2.611 179.642 176.870 0.268 0.000 1.086 984 L CA 1.070 56.081 54.840 0.284 0.000 0.760 984 L CB -0.638 41.527 42.059 0.177 0.000 0.910 984 L HN 0.252 nan 8.230 nan 0.000 0.437 985 K N 0.492 120.940 120.400 0.079 0.000 2.032 985 K HA -0.143 4.182 4.320 0.009 0.000 0.209 985 K C 0.666 177.226 176.600 -0.066 0.000 1.048 985 K CA 1.476 57.733 56.287 -0.050 0.000 0.927 985 K CB 0.005 32.406 32.500 -0.164 0.000 0.712 985 K HN 0.110 nan 8.250 nan 0.000 0.441 986 F N 0.407 120.389 119.950 0.053 0.000 2.434 986 F HA 0.233 4.765 4.527 0.008 0.000 0.316 986 F C 0.808 176.625 175.800 0.029 0.000 1.222 986 F CA -0.561 57.459 58.000 0.034 0.000 1.207 986 F CB 0.619 39.627 39.000 0.015 0.000 1.466 986 F HN 0.019 nan 8.300 nan 0.000 0.545 987 I N 0.371 121.080 120.570 0.231 0.000 4.070 987 I HA 0.110 4.285 4.170 0.009 0.000 0.328 987 I C 2.163 178.293 176.117 0.021 0.000 1.298 987 I CA 0.448 61.795 61.300 0.078 0.000 1.173 987 I CB 0.356 38.358 38.000 0.003 0.000 1.051 987 I HN 0.355 nan 8.210 nan 0.000 0.409 988 A N 0.803 123.701 122.820 0.131 0.000 2.178 988 A HA -0.154 4.171 4.320 0.009 0.000 0.218 988 A C 2.180 179.865 177.584 0.168 0.000 1.157 988 A CA 1.014 53.143 52.037 0.153 0.000 0.689 988 A CB -0.519 18.616 19.000 0.224 0.000 0.787 988 A HN 0.380 nan 8.150 nan 0.000 0.465 989 R N -0.468 120.113 120.500 0.135 0.000 2.083 989 R HA -0.140 4.206 4.340 0.009 0.000 0.237 989 R C 2.048 178.333 176.300 -0.026 0.000 1.137 989 R CA 1.507 57.589 56.100 -0.029 0.000 0.951 989 R CB -0.295 29.914 30.300 -0.151 0.000 0.851 989 R HN 0.533 nan 8.270 nan 0.000 0.434 990 N N 0.123 118.813 118.700 -0.017 0.000 2.207 990 N HA -0.142 4.603 4.740 0.009 0.000 0.182 990 N C 1.056 176.538 175.510 -0.047 0.000 1.020 990 N CA 0.941 53.968 53.050 -0.040 0.000 0.858 990 N CB -0.074 38.386 38.487 -0.045 0.000 0.991 990 N HN 0.152 nan 8.380 nan 0.000 0.427 991 Y N 2.156 122.347 120.300 -0.182 0.000 2.542 991 Y HA 0.135 4.693 4.550 0.013 0.000 0.326 991 Y C 0.392 176.217 175.900 -0.125 0.000 1.218 991 Y CA 0.161 58.128 58.100 -0.222 0.000 1.277 991 Y CB -0.738 37.477 38.460 -0.409 0.000 1.064 991 Y HN 0.050 nan 8.280 nan 0.000 0.499 992 L N 0.972 122.170 121.223 -0.041 0.000 3.941 992 L HA -0.334 4.012 4.340 0.009 0.000 0.455 992 L C -0.064 176.812 176.870 0.011 0.000 1.179 992 L CA 0.968 55.784 54.840 -0.040 0.000 0.782 992 L CB -1.456 40.546 42.059 -0.097 0.000 1.679 992 L HN 0.400 nan 8.230 nan 0.000 0.871 993 E N -0.047 120.208 120.200 0.091 0.000 2.260 993 E HA 0.680 5.035 4.350 0.009 0.000 0.266 993 E C 0.197 176.875 176.600 0.129 0.000 0.887 993 E CA 0.109 56.582 56.400 0.121 0.000 0.777 993 E CB 2.030 31.849 29.700 0.198 0.000 1.205 993 E HN 0.262 nan 8.360 nan 0.000 0.414 994 G N 0.000 108.862 108.800 0.104 0.000 5.446 994 G HA2 0.000 3.966 3.960 0.009 0.000 0.244 994 G HA3 0.000 3.966 3.960 0.009 0.000 0.244 994 G CA 0.000 45.166 45.100 0.109 0.000 0.502 994 G HN 0.000 nan 8.290 nan 0.000 0.925