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 3b9r_1_B 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 0.000 176.269 176.300 -0.051 0.000 1.140 1 M CA 0.000 55.323 55.300 0.039 0.000 0.988 1 M CB 0.000 32.832 32.600 0.387 0.000 1.302 2 E N 1.457 121.542 120.200 -0.193 0.000 2.480 2 E HA 0.321 4.673 4.350 0.003 0.000 0.258 2 E C 0.300 176.715 176.600 -0.308 0.000 0.984 2 E CA 0.712 56.738 56.400 -0.625 0.000 0.930 2 E CB 0.924 30.109 29.700 -0.858 0.000 0.936 2 E HN 0.410 nan 8.360 nan 0.000 0.466 3 A N 3.969 126.610 122.820 -0.297 0.000 2.532 3 A HA 0.508 4.829 4.320 0.003 0.000 0.273 3 A C -0.002 177.425 177.584 -0.263 0.000 1.342 3 A CA 0.379 52.298 52.037 -0.197 0.000 0.929 3 A CB -0.023 18.904 19.000 -0.121 0.000 1.051 3 A HN 0.584 nan 8.150 nan 0.000 0.521 4 A N -0.410 122.226 122.820 -0.306 0.000 2.547 4 A HA 0.585 4.906 4.320 0.003 0.000 0.297 4 A C 0.160 177.589 177.584 -0.258 0.000 1.056 4 A CA -0.317 51.480 52.037 -0.401 0.000 0.688 4 A CB 0.419 19.250 19.000 -0.282 0.000 1.282 4 A HN 0.594 nan 8.150 nan 0.000 0.400 5 H N 0.287 119.348 119.070 -0.015 0.000 2.622 5 H HA 0.112 4.670 4.556 0.003 0.000 0.269 5 H C 1.098 176.431 175.328 0.010 0.000 0.977 5 H CA 0.916 56.959 56.048 -0.008 0.000 1.179 5 H CB 0.311 30.084 29.762 0.018 0.000 1.458 5 H HN 0.591 nan 8.280 nan 0.000 0.531 6 S N 0.426 116.320 115.700 0.323 0.000 2.575 6 S HA 0.107 4.579 4.470 0.003 0.000 0.215 6 S C 0.544 175.214 174.600 0.117 0.000 0.966 6 S CA -0.544 57.845 58.200 0.314 0.000 0.911 6 S CB 0.153 63.514 63.200 0.268 0.000 0.780 6 S HN 0.072 nan 8.310 nan 0.000 0.514 7 K N 2.921 123.356 120.400 0.059 0.000 2.098 7 K HA 0.445 4.767 4.320 0.003 0.000 0.258 7 K C 0.487 177.116 176.600 0.048 0.000 0.973 7 K CA -0.283 56.024 56.287 0.033 0.000 0.898 7 K CB 1.427 33.921 32.500 -0.010 0.000 1.057 7 K HN 0.394 nan 8.250 nan 0.000 0.447 8 S N -0.307 115.420 115.700 0.045 0.000 2.596 8 S HA -0.001 4.471 4.470 0.003 0.000 0.260 8 S C 1.362 175.989 174.600 0.045 0.000 1.336 8 S CA 0.301 58.529 58.200 0.047 0.000 0.993 8 S CB 0.285 63.510 63.200 0.041 0.000 0.923 8 S HN 0.622 nan 8.310 nan 0.000 0.567 9 T N -0.920 113.661 114.554 0.045 0.000 2.867 9 T HA -0.072 4.280 4.350 0.003 0.000 0.268 9 T C 1.217 175.948 174.700 0.051 0.000 1.057 9 T CA 1.352 63.480 62.100 0.046 0.000 1.136 9 T CB -0.744 68.147 68.868 0.038 0.000 0.874 9 T HN 0.747 nan 8.240 nan 0.000 0.466 10 E N 1.616 121.843 120.200 0.045 0.000 2.208 10 E HA -0.022 4.330 4.350 0.003 0.000 0.193 10 E C 2.193 178.826 176.600 0.056 0.000 0.988 10 E CA 0.856 57.283 56.400 0.046 0.000 0.828 10 E CB -0.234 29.486 29.700 0.035 0.000 0.763 10 E HN 0.649 nan 8.360 nan 0.000 0.478 11 E N -0.208 120.023 120.200 0.053 0.000 2.216 11 E HA -0.065 4.287 4.350 0.003 0.000 0.192 11 E C 1.584 178.229 176.600 0.076 0.000 0.988 11 E CA 0.738 57.172 56.400 0.055 0.000 0.834 11 E CB 0.023 29.746 29.700 0.039 0.000 0.772 11 E HN 0.307 nan 8.360 nan 0.000 0.479 12 C N 0.467 119.815 119.300 0.081 0.000 2.485 12 C HA 0.084 4.546 4.460 0.003 0.000 0.278 12 C C 2.524 177.652 174.990 0.231 0.000 1.356 12 C CA -0.059 59.028 59.018 0.116 0.000 1.747 12 C CB -0.677 27.128 27.740 0.108 0.000 2.001 12 C HN 0.372 nan 8.230 nan 0.000 0.501 13 L N 1.338 122.668 121.223 0.178 0.000 2.083 13 L HA -0.129 4.212 4.340 0.003 0.000 0.209 13 L C 2.871 179.850 176.870 0.181 0.000 1.083 13 L CA 1.622 56.574 54.840 0.188 0.000 0.752 13 L CB -0.683 41.444 42.059 0.113 0.000 0.899 13 L HN 0.328 nan 8.230 nan 0.000 0.433 14 A N -0.949 121.949 122.820 0.129 0.000 1.969 14 A HA -0.261 4.060 4.320 0.003 0.000 0.218 14 A C 2.136 179.766 177.584 0.076 0.000 1.169 14 A CA 1.181 53.271 52.037 0.089 0.000 0.635 14 A CB -0.742 18.294 19.000 0.060 0.000 0.810 14 A HN 0.448 nan 8.150 nan 0.000 0.445 15 Y N -0.177 120.088 120.300 -0.058 0.000 2.070 15 Y HA -0.253 4.299 4.550 0.003 0.000 0.280 15 Y C 1.753 177.502 175.900 -0.251 0.000 1.148 15 Y CA 2.444 60.406 58.100 -0.231 0.000 1.125 15 Y CB -0.441 37.764 38.460 -0.425 0.000 0.975 15 Y HN 0.291 nan 8.280 nan 0.000 0.492 16 F N -0.351 119.752 119.950 0.254 0.000 2.743 16 F HA 0.279 4.807 4.527 0.003 0.000 0.297 16 F C 1.767 177.667 175.800 0.167 0.000 1.131 16 F CA 0.622 58.747 58.000 0.208 0.000 1.426 16 F CB -0.313 38.883 39.000 0.326 0.000 1.116 16 F HN 0.156 nan 8.300 nan 0.000 0.583 17 G N 1.634 110.596 108.800 0.269 0.000 2.291 17 G HA2 -0.148 3.814 3.960 0.003 0.000 0.271 17 G HA3 -0.148 3.814 3.960 0.003 0.000 0.271 17 G C -0.425 174.569 174.900 0.156 0.000 1.099 17 G CA 0.173 45.370 45.100 0.161 0.000 0.919 17 G HN 0.407 nan 8.290 nan 0.000 0.496 18 V N -0.247 119.774 119.914 0.177 0.000 2.581 18 V HA 0.870 4.992 4.120 0.003 0.000 0.303 18 V C 0.665 176.809 176.094 0.082 0.000 1.041 18 V CA 0.116 62.489 62.300 0.122 0.000 0.907 18 V CB 1.931 33.833 31.823 0.131 0.000 0.994 18 V HN 1.305 nan 8.190 nan 0.000 0.442 19 S N 3.364 119.094 115.700 0.050 0.000 2.499 19 S HA 0.185 4.657 4.470 0.003 0.000 0.275 19 S C 1.015 175.627 174.600 0.019 0.000 1.257 19 S CA 0.515 58.733 58.200 0.031 0.000 1.050 19 S CB 0.988 64.198 63.200 0.017 0.000 0.937 19 S HN 1.054 nan 8.310 nan 0.000 0.490 20 E N 3.109 123.315 120.200 0.010 0.000 2.268 20 E HA -0.130 4.222 4.350 0.003 0.000 0.195 20 E C 1.459 178.027 176.600 -0.054 0.000 0.995 20 E CA 1.579 57.972 56.400 -0.011 0.000 0.836 20 E CB -0.143 29.550 29.700 -0.011 0.000 0.763 20 E HN 0.767 nan 8.360 nan 0.000 0.491 21 T N -2.043 112.483 114.554 -0.046 0.000 3.069 21 T HA 0.067 4.419 4.350 0.003 0.000 0.252 21 T C 1.453 176.119 174.700 -0.057 0.000 1.053 21 T CA 0.988 63.045 62.100 -0.072 0.000 0.964 21 T CB 0.277 69.114 68.868 -0.051 0.000 1.005 21 T HN 0.287 nan 8.240 nan 0.000 0.532 22 T N -3.082 111.460 114.554 -0.021 0.000 3.010 22 T HA 0.566 4.918 4.350 0.003 0.000 0.252 22 T C 1.341 176.067 174.700 0.044 0.000 0.963 22 T CA 0.812 62.917 62.100 0.008 0.000 0.952 22 T CB 0.217 69.092 68.868 0.012 0.000 1.182 22 T HN 1.057 nan 8.240 nan 0.000 0.495 23 G N 1.701 110.523 108.800 0.038 0.000 2.627 23 G HA2 -0.049 3.913 3.960 0.003 0.000 0.214 23 G HA3 -0.049 3.913 3.960 0.003 0.000 0.214 23 G C -0.782 174.130 174.900 0.019 0.000 1.331 23 G CA -0.551 44.580 45.100 0.052 0.000 0.891 23 G HN 0.637 nan 8.290 nan 0.000 0.539 24 L N 1.258 122.477 121.223 -0.006 0.000 2.467 24 L HA 0.450 4.792 4.340 0.003 0.000 0.270 24 L C 1.827 178.673 176.870 -0.039 0.000 1.205 24 L CA 0.191 55.001 54.840 -0.049 0.000 0.828 24 L CB 0.674 42.660 42.059 -0.121 0.000 1.101 24 L HN 1.028 nan 8.230 nan 0.000 0.479 25 T N -1.331 113.194 114.554 -0.049 0.000 2.847 25 T HA 0.258 4.610 4.350 0.003 0.000 0.279 25 T C -1.929 172.741 174.700 -0.050 0.000 0.984 25 T CA -1.769 60.310 62.100 -0.034 0.000 0.988 25 T CB 1.311 70.165 68.868 -0.022 0.000 1.040 25 T HN 0.343 nan 8.240 nan 0.000 0.528 26 P HA -0.048 nan 4.420 nan 0.000 0.216 26 P C 0.894 178.173 177.300 -0.035 0.000 1.150 26 P CA 0.953 64.034 63.100 -0.030 0.000 0.837 26 P CB 0.040 31.730 31.700 -0.016 0.000 0.786 27 D N -0.909 119.472 120.400 -0.031 0.000 2.103 27 D HA -0.115 4.527 4.640 0.003 0.000 0.199 27 D C 2.119 178.391 176.300 -0.046 0.000 0.978 27 D CA 0.987 54.972 54.000 -0.025 0.000 0.829 27 D CB -0.655 40.139 40.800 -0.011 0.000 0.981 27 D HN 0.248 nan 8.370 nan 0.000 0.464 28 Q N 0.360 120.108 119.800 -0.087 0.000 2.152 28 Q HA -0.133 4.208 4.340 0.003 0.000 0.206 28 Q C 2.341 178.140 176.000 -0.335 0.000 0.985 28 Q CA 1.098 56.773 55.803 -0.213 0.000 0.863 28 Q CB -0.083 28.498 28.738 -0.261 0.000 0.904 28 Q HN 0.205 nan 8.270 nan 0.000 0.422 29 V N 1.251 121.045 119.914 -0.199 0.000 2.307 29 V HA -0.260 3.862 4.120 0.003 0.000 0.245 29 V C 2.124 178.197 176.094 -0.035 0.000 1.045 29 V CA 1.853 64.078 62.300 -0.126 0.000 1.024 29 V CB -0.528 31.250 31.823 -0.075 0.000 0.651 29 V HN 0.297 nan 8.190 nan 0.000 0.449 30 K N -0.140 120.246 120.400 -0.024 0.000 2.032 30 K HA -0.179 4.143 4.320 0.003 0.000 0.209 30 K C 2.439 179.057 176.600 0.030 0.000 1.048 30 K CA 1.509 57.797 56.287 0.003 0.000 0.927 30 K CB -0.296 32.205 32.500 0.001 0.000 0.712 30 K HN 0.354 nan 8.250 nan 0.000 0.441 31 R N 0.199 120.728 120.500 0.048 0.000 2.094 31 R HA -0.159 4.183 4.340 0.003 0.000 0.239 31 R C 2.241 178.646 176.300 0.176 0.000 1.137 31 R CA 1.757 57.920 56.100 0.104 0.000 0.943 31 R CB -0.504 29.887 30.300 0.152 0.000 0.850 31 R HN 0.514 nan 8.270 nan 0.000 0.433 32 H N -0.031 119.072 119.070 0.055 0.000 2.389 32 H HA -0.068 4.490 4.556 0.003 0.000 0.299 32 H C 2.268 177.674 175.328 0.130 0.000 1.081 32 H CA 0.708 56.853 56.048 0.162 0.000 1.345 32 H CB 0.087 30.009 29.762 0.266 0.000 1.393 32 H HN 0.168 nan 8.280 nan 0.000 0.520 33 L N 0.914 122.232 121.223 0.159 0.000 2.141 33 L HA -0.144 4.198 4.340 0.003 0.000 0.209 33 L C 2.572 179.447 176.870 0.009 0.000 1.094 33 L CA 0.863 55.717 54.840 0.023 0.000 0.763 33 L CB -0.014 41.995 42.059 -0.083 0.000 0.908 33 L HN 0.252 nan 8.230 nan 0.000 0.437 34 E N 0.575 120.783 120.200 0.013 0.000 2.028 34 E HA -0.276 4.076 4.350 0.003 0.000 0.191 34 E C 2.048 178.613 176.600 -0.058 0.000 0.988 34 E CA 1.435 57.830 56.400 -0.009 0.000 0.799 34 E CB 0.030 29.726 29.700 -0.008 0.000 0.755 34 E HN 0.374 nan 8.360 nan 0.000 0.447 35 K N -1.014 119.292 120.400 -0.157 0.000 2.025 35 K HA -0.145 4.177 4.320 0.003 0.000 0.207 35 K C 1.656 178.032 176.600 -0.372 0.000 1.049 35 K CA 1.424 57.477 56.287 -0.391 0.000 0.933 35 K CB -0.091 31.928 32.500 -0.802 0.000 0.714 35 K HN 0.112 nan 8.250 nan 0.000 0.438 36 Y N -0.659 119.658 120.300 0.029 0.000 2.444 36 Y HA 0.325 4.877 4.550 0.003 0.000 0.252 36 Y C 0.924 176.841 175.900 0.028 0.000 1.091 36 Y CA 0.122 58.240 58.100 0.030 0.000 1.276 36 Y CB 0.880 39.360 38.460 0.032 0.000 1.170 36 Y HN 0.294 nan 8.280 nan 0.000 0.517 37 G N 0.352 109.237 108.800 0.141 0.000 2.796 37 G HA2 -0.210 3.752 3.960 0.003 0.000 0.571 37 G HA3 -0.210 3.752 3.960 0.003 0.000 0.571 37 G C -0.796 174.138 174.900 0.057 0.000 1.370 37 G CA -0.754 44.410 45.100 0.106 0.000 0.856 37 G HN 0.364 nan 8.290 nan 0.000 0.538 38 H N 0.257 119.368 119.070 0.068 0.000 2.815 38 H HA 0.162 4.719 4.556 0.003 0.000 0.350 38 H C 0.964 176.322 175.328 0.049 0.000 1.080 38 H CA 0.491 56.571 56.048 0.053 0.000 1.433 38 H CB 0.820 30.605 29.762 0.037 0.000 1.432 38 H HN 0.476 nan 8.280 nan 0.000 0.592 39 N N 3.421 122.192 118.700 0.119 0.000 2.971 39 N HA -0.043 4.699 4.740 0.003 0.000 0.294 39 N C -0.667 174.893 175.510 0.084 0.000 1.210 39 N CA -0.156 52.940 53.050 0.078 0.000 1.157 39 N CB -0.082 38.427 38.487 0.037 0.000 1.450 39 N HN 0.614 nan 8.380 nan 0.000 0.527 40 E N 0.490 120.743 120.200 0.089 0.000 2.446 40 E HA 0.303 4.654 4.350 0.003 0.000 0.276 40 E C -1.060 175.574 176.600 0.056 0.000 0.969 40 E CA -0.968 55.473 56.400 0.067 0.000 0.800 40 E CB 0.923 30.660 29.700 0.062 0.000 1.341 40 E HN 0.056 nan 8.360 nan 0.000 0.460 41 L N 2.257 123.508 121.223 0.045 0.000 2.270 41 L HA 0.320 4.662 4.340 0.003 0.000 0.286 41 L C -2.074 174.816 176.870 0.032 0.000 1.059 41 L CA -2.052 52.812 54.840 0.039 0.000 0.839 41 L CB 0.878 42.960 42.059 0.039 0.000 1.221 41 L HN 0.287 nan 8.230 nan 0.000 0.431 42 P HA -0.013 nan 4.420 nan 0.000 0.258 42 P C -0.116 177.196 177.300 0.019 0.000 1.187 42 P CA -0.022 63.092 63.100 0.024 0.000 0.767 42 P CB 0.728 32.444 31.700 0.027 0.000 0.770 43 A N 3.638 126.467 122.820 0.015 0.000 2.429 43 A HA 0.021 4.343 4.320 0.003 0.000 0.242 43 A C 0.575 178.165 177.584 0.011 0.000 1.088 43 A CA -0.409 51.635 52.037 0.013 0.000 0.784 43 A CB -0.182 18.823 19.000 0.009 0.000 1.038 43 A HN 0.617 nan 8.150 nan 0.000 0.501 44 E N 0.141 120.346 120.200 0.009 0.000 2.341 44 E HA 0.060 4.412 4.350 0.003 0.000 0.256 44 E C -0.557 176.047 176.600 0.008 0.000 1.125 44 E CA 0.083 56.487 56.400 0.007 0.000 0.939 44 E CB 0.181 29.884 29.700 0.005 0.000 0.991 44 E HN 0.458 nan 8.360 nan 0.000 0.458 45 E N 3.568 123.773 120.200 0.009 0.000 1.932 45 E HA 0.204 4.556 4.350 0.003 0.000 0.259 45 E C -0.228 176.378 176.600 0.011 0.000 1.099 45 E CA -0.312 56.095 56.400 0.011 0.000 0.970 45 E CB 0.373 30.081 29.700 0.014 0.000 1.143 45 E HN 0.549 nan 8.360 nan 0.000 0.441 46 G N 4.825 113.631 108.800 0.009 0.000 2.734 46 G HA2 -0.098 3.864 3.960 0.003 0.000 0.287 46 G HA3 -0.098 3.864 3.960 0.003 0.000 0.287 46 G C -0.052 174.858 174.900 0.017 0.000 0.728 46 G CA -0.446 44.660 45.100 0.009 0.000 1.999 46 G HN 0.503 nan 8.290 nan 0.000 0.535 47 K N 1.454 121.867 120.400 0.021 0.000 2.166 47 K HA 0.245 4.567 4.320 0.003 0.000 0.273 47 K C -0.168 176.445 176.600 0.022 0.000 1.095 47 K CA -0.311 55.997 56.287 0.035 0.000 0.985 47 K CB 0.502 33.028 32.500 0.043 0.000 1.172 47 K HN 0.068 nan 8.250 nan 0.000 0.401 48 S N 4.748 120.462 115.700 0.023 0.000 2.448 48 S HA 0.158 4.629 4.470 0.003 0.000 0.279 48 S C 0.319 174.916 174.600 -0.005 0.000 1.195 48 S CA -0.783 57.416 58.200 -0.001 0.000 1.051 48 S CB 0.249 63.451 63.200 0.002 0.000 0.948 48 S HN 0.499 nan 8.310 nan 0.000 0.493 49 L N 3.836 125.005 121.223 -0.091 0.000 2.653 49 L HA -0.123 4.219 4.340 0.003 0.000 0.288 49 L C 1.686 178.437 176.870 -0.197 0.000 1.243 49 L CA -0.038 54.656 54.840 -0.243 0.000 0.906 49 L CB 0.105 41.894 42.059 -0.450 0.000 1.154 49 L HN 0.961 nan 8.230 nan 0.000 0.498 50 W N 1.772 123.078 121.300 0.010 0.000 2.308 50 W HA -0.228 4.434 4.660 0.003 0.000 0.301 50 W C 1.462 177.992 176.519 0.019 0.000 1.220 50 W CA 1.145 58.497 57.345 0.012 0.000 1.240 50 W CB -0.547 28.918 29.460 0.008 0.000 1.142 50 W HN 0.544 nan 8.180 nan 0.000 0.521 51 E N 0.828 120.706 120.200 -0.536 0.000 2.472 51 E HA -0.098 4.254 4.350 0.003 0.000 0.200 51 E C 2.093 178.622 176.600 -0.119 0.000 1.046 51 E CA 0.777 57.024 56.400 -0.256 0.000 0.871 51 E CB -0.332 29.125 29.700 -0.405 0.000 0.806 51 E HN 0.457 nan 8.360 nan 0.000 0.533 52 L N 0.315 121.463 121.223 -0.125 0.000 2.217 52 L HA -0.118 4.223 4.340 0.003 0.000 0.211 52 L C 2.496 179.371 176.870 0.008 0.000 1.107 52 L CA 0.345 55.150 54.840 -0.058 0.000 0.783 52 L CB -0.345 41.676 42.059 -0.064 0.000 0.919 52 L HN 0.124 nan 8.230 nan 0.000 0.442 53 V N 0.693 120.632 119.914 0.043 0.000 2.453 53 V HA -0.299 3.823 4.120 0.003 0.000 0.252 53 V C 2.144 178.315 176.094 0.127 0.000 1.068 53 V CA 1.877 64.226 62.300 0.082 0.000 1.070 53 V CB -0.192 31.701 31.823 0.117 0.000 0.664 53 V HN 0.361 nan 8.190 nan 0.000 0.461 54 I N -0.498 120.155 120.570 0.139 0.000 2.676 54 I HA -0.025 4.147 4.170 0.003 0.000 0.259 54 I C 1.120 177.381 176.117 0.239 0.000 1.194 54 I CA 0.404 61.850 61.300 0.243 0.000 1.473 54 I CB -0.403 37.676 38.000 0.133 0.000 1.096 54 I HN 0.250 nan 8.210 nan 0.000 0.443 55 E N 2.250 122.512 120.200 0.104 0.000 2.030 55 E HA -0.099 4.253 4.350 0.003 0.000 0.267 55 E C 0.305 176.915 176.600 0.016 0.000 1.172 55 E CA 0.607 57.041 56.400 0.057 0.000 1.080 55 E CB 0.277 29.986 29.700 0.015 0.000 1.080 55 E HN 0.491 nan 8.360 nan 0.000 0.446 56 Q N -0.624 119.159 119.800 -0.028 0.000 2.063 56 Q HA 0.149 4.491 4.340 0.003 0.000 0.234 56 Q C 0.037 175.881 176.000 -0.260 0.000 0.748 56 Q CA -0.047 55.641 55.803 -0.192 0.000 0.915 56 Q CB 0.432 28.971 28.738 -0.332 0.000 1.188 56 Q HN 0.263 nan 8.270 nan 0.000 0.456 57 F N 1.339 121.294 119.950 0.008 0.000 2.913 57 F HA 0.226 4.754 4.527 0.002 0.000 0.293 57 F C 1.300 177.101 175.800 0.002 0.000 1.223 57 F CA 0.441 58.446 58.000 0.008 0.000 1.393 57 F CB 0.435 39.442 39.000 0.011 0.000 1.102 57 F HN 0.031 nan 8.300 nan 0.000 0.524 58 E N -0.059 120.199 120.200 0.096 0.000 2.702 58 E HA -0.053 4.299 4.350 0.003 0.000 0.225 58 E C 1.248 177.866 176.600 0.030 0.000 0.942 58 E CA 0.265 56.703 56.400 0.063 0.000 1.210 58 E CB 0.169 29.896 29.700 0.046 0.000 1.143 58 E HN 0.294 nan 8.360 nan 0.000 0.544 59 D N 1.152 121.562 120.400 0.015 0.000 2.265 59 D HA -0.150 4.492 4.640 0.003 0.000 0.208 59 D C 1.724 178.029 176.300 0.008 0.000 0.977 59 D CA 1.219 55.221 54.000 0.004 0.000 0.871 59 D CB 0.107 40.901 40.800 -0.009 0.000 0.925 59 D HN 0.372 nan 8.370 nan 0.000 0.485 60 L N -2.368 118.865 121.223 0.018 0.000 5.259 60 L HA -0.327 4.015 4.340 0.003 0.000 0.412 60 L C 1.650 178.517 176.870 -0.005 0.000 0.876 60 L CA 1.231 56.076 54.840 0.008 0.000 1.762 60 L CB -1.242 40.816 42.059 -0.003 0.000 1.441 60 L HN 0.248 nan 8.230 nan 0.000 0.615 61 L N -1.531 119.687 121.223 -0.007 0.000 2.425 61 L HA 0.183 4.525 4.340 0.003 0.000 0.215 61 L C 1.909 178.778 176.870 -0.001 0.000 1.065 61 L CA 0.767 55.597 54.840 -0.018 0.000 0.842 61 L CB 0.520 42.564 42.059 -0.025 0.000 1.033 61 L HN 0.002 nan 8.230 nan 0.000 0.474 62 V N 0.006 119.924 119.914 0.007 0.000 3.052 62 V HA -0.010 4.112 4.120 0.003 0.000 0.254 62 V C 2.529 178.646 176.094 0.039 0.000 1.100 62 V CA 1.080 63.389 62.300 0.015 0.000 1.112 62 V CB -0.071 31.749 31.823 -0.005 0.000 0.738 62 V HN 0.458 nan 8.190 nan 0.000 0.469 63 R N 0.467 120.994 120.500 0.045 0.000 2.189 63 R HA -0.043 4.299 4.340 0.003 0.000 0.218 63 R C 1.715 178.047 176.300 0.054 0.000 1.074 63 R CA 1.509 57.654 56.100 0.075 0.000 0.991 63 R CB -0.380 29.962 30.300 0.070 0.000 0.883 63 R HN 0.299 nan 8.270 nan 0.000 0.457 64 I N 0.464 121.051 120.570 0.030 0.000 2.206 64 I HA -0.104 4.068 4.170 0.003 0.000 0.239 64 I C 1.821 177.957 176.117 0.032 0.000 1.078 64 I CA 0.899 62.209 61.300 0.017 0.000 1.367 64 I CB -0.858 37.138 38.000 -0.007 0.000 1.078 64 I HN 0.173 nan 8.210 nan 0.000 0.413 65 L N 0.093 121.338 121.223 0.037 0.000 2.447 65 L HA -0.201 4.140 4.340 0.003 0.000 0.225 65 L C 2.407 179.322 176.870 0.075 0.000 1.148 65 L CA 0.558 55.429 54.840 0.052 0.000 0.808 65 L CB -0.788 41.301 42.059 0.050 0.000 0.928 65 L HN 0.273 nan 8.230 nan 0.000 0.448 66 L N 0.083 121.355 121.223 0.082 0.000 1.988 66 L HA -0.181 4.161 4.340 0.003 0.000 0.207 66 L C 2.281 179.207 176.870 0.092 0.000 1.071 66 L CA 1.579 56.482 54.840 0.105 0.000 0.744 66 L CB -0.391 41.748 42.059 0.133 0.000 0.893 66 L HN 0.067 nan 8.230 nan 0.000 0.433 67 L N 0.162 121.428 121.223 0.073 0.000 2.265 67 L HA -0.019 4.323 4.340 0.003 0.000 0.215 67 L C 2.315 179.229 176.870 0.073 0.000 1.117 67 L CA 1.724 56.602 54.840 0.065 0.000 0.782 67 L CB -1.014 41.068 42.059 0.038 0.000 0.914 67 L HN 0.397 nan 8.230 nan 0.000 0.441 68 A N -1.774 121.087 122.820 0.068 0.000 2.208 68 A HA 0.324 4.646 4.320 0.003 0.000 0.209 68 A C 2.166 179.815 177.584 0.109 0.000 1.161 68 A CA 0.964 53.046 52.037 0.075 0.000 0.782 68 A CB -0.478 18.555 19.000 0.055 0.000 0.816 68 A HN 0.417 nan 8.150 nan 0.000 0.477 69 A N -1.713 121.181 122.820 0.122 0.000 2.108 69 A HA 0.150 4.472 4.320 0.003 0.000 0.206 69 A C 1.990 179.682 177.584 0.181 0.000 1.212 69 A CA 0.964 53.093 52.037 0.152 0.000 0.843 69 A CB -0.754 18.337 19.000 0.151 0.000 0.902 69 A HN 0.490 nan 8.150 nan 0.000 0.477 70 C N -0.125 119.268 119.300 0.155 0.000 2.432 70 C HA -0.061 4.400 4.460 0.003 0.000 0.277 70 C C 2.439 177.565 174.990 0.228 0.000 1.249 70 C CA 0.739 59.861 59.018 0.175 0.000 1.725 70 C CB -0.994 26.820 27.740 0.124 0.000 2.028 70 C HN 0.546 nan 8.230 nan 0.000 0.477 71 I N 1.272 121.957 120.570 0.191 0.000 2.133 71 I HA -0.140 4.032 4.170 0.003 0.000 0.238 71 I C 2.796 179.036 176.117 0.206 0.000 1.074 71 I CA 1.904 63.336 61.300 0.219 0.000 1.342 71 I CB -1.620 36.505 38.000 0.208 0.000 1.053 71 I HN 0.341 nan 8.210 nan 0.000 0.404 72 S N 0.189 115.996 115.700 0.179 0.000 2.420 72 S HA -0.251 4.221 4.470 0.003 0.000 0.237 72 S C 2.075 176.770 174.600 0.157 0.000 1.023 72 S CA 1.407 59.697 58.200 0.151 0.000 0.991 72 S CB -0.498 62.783 63.200 0.135 0.000 0.792 72 S HN 0.378 nan 8.310 nan 0.000 0.488 73 F N 1.246 121.232 119.950 0.060 0.000 2.104 73 F HA 0.134 4.662 4.527 0.002 0.000 0.288 73 F C 2.314 178.205 175.800 0.151 0.000 1.107 73 F CA 1.383 59.417 58.000 0.057 0.000 1.208 73 F CB -0.999 38.004 39.000 0.004 0.000 1.033 73 F HN 0.066 nan 8.300 nan 0.000 0.478 74 V N 0.787 120.812 119.914 0.184 0.000 2.527 74 V HA -0.287 3.834 4.120 0.003 0.000 0.255 74 V C 2.053 178.154 176.094 0.011 0.000 1.081 74 V CA 2.114 64.457 62.300 0.072 0.000 1.092 74 V CB -0.541 31.319 31.823 0.060 0.000 0.673 74 V HN 0.413 nan 8.190 nan 0.000 0.470 75 L N -0.100 121.126 121.223 0.005 0.000 2.270 75 L HA 0.195 4.537 4.340 0.003 0.000 0.210 75 L C 2.531 179.389 176.870 -0.021 0.000 1.104 75 L CA 1.853 56.692 54.840 -0.001 0.000 0.804 75 L CB -0.914 41.167 42.059 0.036 0.000 0.937 75 L HN 0.336 nan 8.230 nan 0.000 0.450 76 A N -1.381 121.370 122.820 -0.116 0.000 2.016 76 A HA -0.205 4.117 4.320 0.003 0.000 0.217 76 A C 2.168 179.540 177.584 -0.353 0.000 1.162 76 A CA 0.807 52.657 52.037 -0.312 0.000 0.662 76 A CB -0.873 17.878 19.000 -0.414 0.000 0.812 76 A HN 0.640 nan 8.150 nan 0.000 0.450 77 W N -0.119 121.030 121.300 -0.251 0.000 2.409 77 W HA -0.076 4.585 4.660 0.003 0.000 0.299 77 W C -0.159 176.386 176.519 0.043 0.000 1.203 77 W CA 0.951 58.291 57.345 -0.008 0.000 1.298 77 W CB -0.205 29.265 29.460 0.016 0.000 1.127 77 W HN 0.303 nan 8.180 nan 0.000 0.528 78 F N 2.394 122.314 119.950 -0.051 0.000 2.949 78 F HA 0.173 4.703 4.527 0.005 0.000 0.291 78 F C 0.744 176.446 175.800 -0.163 0.000 1.214 78 F CA -0.522 57.410 58.000 -0.114 0.000 1.381 78 F CB -1.424 37.572 39.000 -0.006 0.000 1.066 78 F HN -0.128 nan 8.300 nan 0.000 0.520 79 E N 1.574 121.709 120.200 -0.108 0.000 2.383 79 E HA -0.050 4.302 4.350 0.003 0.000 0.257 79 E C 0.657 177.177 176.600 -0.134 0.000 1.079 79 E CA 0.087 56.398 56.400 -0.147 0.000 0.934 79 E CB 0.626 30.166 29.700 -0.266 0.000 0.978 79 E HN 0.381 nan 8.360 nan 0.000 0.462 80 E N 3.402 123.557 120.200 -0.074 0.000 2.140 80 E HA 0.017 4.369 4.350 0.003 0.000 0.191 80 E C 1.034 177.592 176.600 -0.070 0.000 0.973 80 E CA 0.537 56.895 56.400 -0.070 0.000 0.829 80 E CB -0.041 29.636 29.700 -0.039 0.000 0.781 80 E HN 0.660 nan 8.360 nan 0.000 0.466 81 G N 1.634 110.402 108.800 -0.053 0.000 2.583 81 G HA2 -0.028 3.934 3.960 0.003 0.000 0.275 81 G HA3 -0.028 3.934 3.960 0.003 0.000 0.275 81 G C 0.113 174.972 174.900 -0.068 0.000 1.342 81 G CA -0.504 44.571 45.100 -0.042 0.000 1.030 81 G HN -0.066 nan 8.290 nan 0.000 0.520 82 E N 0.704 120.868 120.200 -0.060 0.000 2.465 82 E HA 0.016 4.368 4.350 0.003 0.000 0.260 82 E C -0.145 176.406 176.600 -0.081 0.000 0.980 82 E CA 0.248 56.607 56.400 -0.069 0.000 0.927 82 E CB 0.557 30.221 29.700 -0.061 0.000 0.934 82 E HN 0.337 nan 8.360 nan 0.000 0.459 83 E N 1.913 122.061 120.200 -0.087 0.000 2.905 83 E HA -0.054 4.298 4.350 0.003 0.000 0.240 83 E C -0.467 176.086 176.600 -0.078 0.000 0.990 83 E CA 0.722 57.067 56.400 -0.092 0.000 0.954 83 E CB -0.067 29.587 29.700 -0.077 0.000 0.908 83 E HN 0.203 nan 8.360 nan 0.000 0.532 84 T N 3.749 118.247 114.554 -0.093 0.000 2.909 84 T HA 0.223 4.575 4.350 0.003 0.000 0.286 84 T C 1.371 176.040 174.700 -0.051 0.000 1.002 84 T CA -0.779 61.274 62.100 -0.078 0.000 1.074 84 T CB 0.753 69.565 68.868 -0.094 0.000 0.984 84 T HN 0.338 nan 8.240 nan 0.000 0.495 85 I N 1.978 122.530 120.570 -0.030 0.000 3.291 85 I HA -0.005 4.167 4.170 0.003 0.000 0.279 85 I C 1.855 177.984 176.117 0.021 0.000 1.294 85 I CA 0.846 62.149 61.300 0.005 0.000 1.428 85 I CB -1.403 36.596 38.000 -0.002 0.000 1.070 85 I HN 0.721 nan 8.210 nan 0.000 0.478 86 T N -2.749 111.794 114.554 -0.019 0.000 3.296 86 T HA 0.498 4.849 4.350 0.003 0.000 0.285 86 T C 1.487 176.152 174.700 -0.058 0.000 1.014 86 T CA 0.254 62.343 62.100 -0.018 0.000 0.920 86 T CB 0.539 69.374 68.868 -0.056 0.000 1.143 86 T HN 0.135 nan 8.240 nan 0.000 0.522 87 A N 1.271 124.011 122.820 -0.135 0.000 1.902 87 A HA 0.159 4.480 4.320 0.003 0.000 0.217 87 A C 1.389 178.690 177.584 -0.472 0.000 1.181 87 A CA 1.069 52.864 52.037 -0.404 0.000 0.623 87 A CB -0.770 17.799 19.000 -0.718 0.000 0.818 87 A HN 0.596 nan 8.150 nan 0.000 0.443 88 F N -1.837 118.119 119.950 0.010 0.000 2.721 88 F HA 0.151 4.679 4.527 0.002 0.000 0.301 88 F C 1.950 177.787 175.800 0.061 0.000 1.096 88 F CA 0.305 58.307 58.000 0.004 0.000 1.308 88 F CB -0.113 38.921 39.000 0.057 0.000 1.086 88 F HN 0.076 nan 8.300 nan 0.000 0.587 89 V N 0.902 120.944 119.914 0.213 0.000 2.317 89 V HA -0.351 3.771 4.120 0.003 0.000 0.251 89 V C 2.291 178.492 176.094 0.179 0.000 1.065 89 V CA 2.803 65.215 62.300 0.186 0.000 1.049 89 V CB -0.213 31.652 31.823 0.071 0.000 0.651 89 V HN 0.552 nan 8.190 nan 0.000 0.450 90 E N 0.701 120.973 120.200 0.119 0.000 2.001 90 E HA -0.130 4.222 4.350 0.003 0.000 0.193 90 E C -0.175 176.520 176.600 0.159 0.000 0.994 90 E CA 1.529 58.002 56.400 0.122 0.000 0.815 90 E CB -0.929 28.820 29.700 0.080 0.000 0.770 90 E HN 0.573 nan 8.360 nan 0.000 0.453 91 P HA -0.146 nan 4.420 nan 0.000 0.226 91 P C 0.698 178.138 177.300 0.234 0.000 1.146 91 P CA 1.048 64.235 63.100 0.144 0.000 0.773 91 P CB -0.046 31.741 31.700 0.145 0.000 0.772 92 F N -1.203 118.880 119.950 0.221 0.000 2.656 92 F HA 0.071 4.600 4.527 0.003 0.000 0.291 92 F C 2.377 178.252 175.800 0.124 0.000 1.122 92 F CA -0.253 57.845 58.000 0.163 0.000 1.427 92 F CB -1.092 38.015 39.000 0.178 0.000 1.125 92 F HN -0.271 nan 8.300 nan 0.000 0.583 93 V N 0.416 120.513 119.914 0.305 0.000 2.323 93 V HA -0.255 3.867 4.120 0.003 0.000 0.244 93 V C 2.380 178.585 176.094 0.185 0.000 1.041 93 V CA 1.476 63.904 62.300 0.213 0.000 1.025 93 V CB -0.492 31.444 31.823 0.188 0.000 0.656 93 V HN 0.168 nan 8.190 nan 0.000 0.451 94 I N -0.258 120.423 120.570 0.185 0.000 2.113 94 I HA -0.376 3.796 4.170 0.003 0.000 0.242 94 I C 2.439 178.646 176.117 0.151 0.000 1.057 94 I CA 2.080 63.473 61.300 0.154 0.000 1.314 94 I CB -0.477 37.615 38.000 0.153 0.000 1.022 94 I HN 0.288 nan 8.210 nan 0.000 0.408 95 L N 0.360 121.700 121.223 0.196 0.000 2.083 95 L HA -0.187 4.155 4.340 0.003 0.000 0.209 95 L C 2.355 179.291 176.870 0.110 0.000 1.083 95 L CA 1.278 56.219 54.840 0.168 0.000 0.752 95 L CB -0.135 42.069 42.059 0.242 0.000 0.899 95 L HN 0.251 nan 8.230 nan 0.000 0.433 96 L N -1.084 120.207 121.223 0.115 0.000 2.633 96 L HA -0.087 4.254 4.340 0.003 0.000 0.235 96 L C 1.643 178.556 176.870 0.072 0.000 1.163 96 L CA 0.910 55.796 54.840 0.077 0.000 0.859 96 L CB 0.044 42.154 42.059 0.085 0.000 0.973 96 L HN 0.300 nan 8.230 nan 0.000 0.451 97 I N -2.030 118.588 120.570 0.079 0.000 4.124 97 I HA -0.064 4.108 4.170 0.003 0.000 0.311 97 I C 1.719 177.864 176.117 0.047 0.000 1.259 97 I CA 0.044 61.381 61.300 0.062 0.000 1.315 97 I CB 0.321 38.363 38.000 0.071 0.000 1.223 97 I HN 0.046 nan 8.210 nan 0.000 0.441 98 L N 0.744 122.000 121.223 0.056 0.000 2.450 98 L HA -0.133 4.209 4.340 0.003 0.000 0.224 98 L C 2.055 178.936 176.870 0.017 0.000 1.149 98 L CA 1.478 56.341 54.840 0.039 0.000 0.816 98 L CB -0.033 42.063 42.059 0.061 0.000 0.932 98 L HN 0.339 nan 8.230 nan 0.000 0.449 99 I N -1.588 118.999 120.570 0.027 0.000 3.445 99 I HA 0.001 4.173 4.170 0.003 0.000 0.288 99 I C 2.407 178.535 176.117 0.018 0.000 1.198 99 I CA 0.484 61.794 61.300 0.016 0.000 1.417 99 I CB 0.122 38.136 38.000 0.023 0.000 1.205 99 I HN 0.050 nan 8.210 nan 0.000 0.448 100 A N 0.432 123.270 122.820 0.029 0.000 2.119 100 A HA -0.095 4.227 4.320 0.003 0.000 0.217 100 A C 1.729 179.331 177.584 0.031 0.000 1.153 100 A CA 1.419 53.476 52.037 0.034 0.000 0.692 100 A CB -0.426 18.596 19.000 0.037 0.000 0.799 100 A HN 0.352 nan 8.150 nan 0.000 0.458 101 N N -0.244 118.468 118.700 0.021 0.000 2.409 101 N HA 0.137 4.879 4.740 0.003 0.000 0.174 101 N C 1.652 177.166 175.510 0.008 0.000 1.037 101 N CA 1.035 54.094 53.050 0.015 0.000 0.898 101 N CB -0.190 38.304 38.487 0.011 0.000 1.010 101 N HN 0.352 nan 8.380 nan 0.000 0.445 102 A N 0.246 123.059 122.820 -0.011 0.000 2.066 102 A HA 0.056 4.377 4.320 0.003 0.000 0.218 102 A C 1.988 179.567 177.584 -0.009 0.000 1.157 102 A CA 0.552 52.566 52.037 -0.037 0.000 0.670 102 A CB -0.434 18.514 19.000 -0.088 0.000 0.804 102 A HN 0.304 nan 8.150 nan 0.000 0.453 103 I N 0.341 120.923 120.570 0.021 0.000 3.251 103 I HA -0.097 4.075 4.170 0.003 0.000 0.277 103 I C 2.044 178.238 176.117 0.128 0.000 1.268 103 I CA 0.947 62.281 61.300 0.055 0.000 1.449 103 I CB 0.315 38.353 38.000 0.064 0.000 1.083 103 I HN 0.303 nan 8.210 nan 0.000 0.464 104 V N -2.245 117.738 119.914 0.116 0.000 2.878 104 V HA 0.151 4.273 4.120 0.003 0.000 0.250 104 V C 2.301 178.502 176.094 0.178 0.000 1.075 104 V CA 1.259 63.665 62.300 0.176 0.000 1.096 104 V CB -1.375 30.494 31.823 0.077 0.000 0.724 104 V HN 0.324 nan 8.190 nan 0.000 0.467 105 G N 1.633 110.487 108.800 0.090 0.000 2.475 105 G HA2 -0.247 3.715 3.960 0.003 0.000 0.220 105 G HA3 -0.247 3.715 3.960 0.003 0.000 0.220 105 G C 1.557 176.492 174.900 0.057 0.000 1.125 105 G CA 1.878 47.013 45.100 0.058 0.000 0.755 105 G HN 1.064 nan 8.290 nan 0.000 0.565 106 V N -3.737 116.198 119.914 0.034 0.000 3.510 106 V HA 0.156 4.278 4.120 0.003 0.000 0.270 106 V C 2.007 178.021 176.094 -0.134 0.000 1.201 106 V CA 0.483 62.744 62.300 -0.066 0.000 1.166 106 V CB -0.734 31.008 31.823 -0.135 0.000 0.825 106 V HN 0.434 nan 8.190 nan 0.000 0.484 107 W N 1.527 122.816 121.300 -0.018 0.000 2.488 107 W HA 0.024 4.686 4.660 0.002 0.000 0.304 107 W C 2.940 179.449 176.519 -0.016 0.000 1.175 107 W CA 1.594 58.929 57.345 -0.017 0.000 1.365 107 W CB -0.217 29.230 29.460 -0.021 0.000 1.131 107 W HN 0.344 nan 8.180 nan 0.000 0.520 108 Q N -0.272 119.651 119.800 0.203 0.000 2.062 108 Q HA -0.152 4.190 4.340 0.003 0.000 0.196 108 Q C 1.891 177.925 176.000 0.055 0.000 0.967 108 Q CA 1.231 57.100 55.803 0.111 0.000 0.832 108 Q CB -1.013 27.778 28.738 0.089 0.000 0.899 108 Q HN 0.208 nan 8.270 nan 0.000 0.442 109 E N 1.785 122.007 120.200 0.037 0.000 2.338 109 E HA -0.109 4.243 4.350 0.003 0.000 0.197 109 E C 0.312 176.903 176.600 -0.015 0.000 1.007 109 E CA 0.081 56.486 56.400 0.008 0.000 0.849 109 E CB 0.175 29.875 29.700 0.000 0.000 0.774 109 E HN 0.191 nan 8.360 nan 0.000 0.506 110 R N 0.977 121.457 120.500 -0.033 0.000 2.543 110 R HA 0.092 4.434 4.340 0.003 0.000 0.277 110 R C -0.703 175.570 176.300 -0.046 0.000 1.074 110 R CA 0.172 56.233 56.100 -0.066 0.000 1.076 110 R CB 0.371 30.590 30.300 -0.136 0.000 0.993 110 R HN -0.003 nan 8.270 nan 0.000 0.459 111 N N 1.843 120.515 118.700 -0.046 0.000 2.578 111 N HA 0.200 4.942 4.740 0.003 0.000 0.282 111 N C -1.502 173.986 175.510 -0.036 0.000 1.119 111 N CA -0.453 52.576 53.050 -0.034 0.000 0.948 111 N CB 2.087 40.562 38.487 -0.021 0.000 1.546 111 N HN 0.646 nan 8.380 nan 0.000 0.525 112 A N 1.654 124.452 122.820 -0.037 0.000 2.264 112 A HA 0.734 5.056 4.320 0.003 0.000 0.304 112 A C 0.139 177.709 177.584 -0.024 0.000 1.100 112 A CA 0.084 52.100 52.037 -0.036 0.000 0.839 112 A CB 0.404 19.378 19.000 -0.042 0.000 1.121 112 A HN 0.735 nan 8.150 nan 0.000 0.496 113 E N -1.332 118.855 120.200 -0.021 0.000 9.237 113 E HA -0.184 4.167 4.350 0.003 0.000 0.412 113 E C -0.686 175.908 176.600 -0.010 0.000 1.429 113 E CA 1.193 57.584 56.400 -0.014 0.000 2.483 113 E CB -0.359 29.334 29.700 -0.011 0.000 1.050 113 E HN 1.081 nan 8.360 nan 0.000 0.408 114 N N -0.961 117.737 118.700 -0.004 0.000 2.494 114 N HA 0.620 5.362 4.740 0.003 0.000 0.270 114 N C -0.434 175.080 175.510 0.007 0.000 1.285 114 N CA -0.304 52.746 53.050 -0.000 0.000 0.812 114 N CB 1.342 39.829 38.487 -0.001 0.000 1.557 114 N HN 0.480 nan 8.380 nan 0.000 0.487 115 A N 0.517 123.343 122.820 0.010 0.000 2.072 115 A HA 0.184 4.506 4.320 0.003 0.000 0.216 115 A C 1.609 179.210 177.584 0.029 0.000 1.156 115 A CA 0.389 52.438 52.037 0.020 0.000 0.701 115 A CB -0.666 18.343 19.000 0.015 0.000 0.816 115 A HN 0.695 nan 8.150 nan 0.000 0.458 116 I N -0.356 120.227 120.570 0.021 0.000 2.493 116 I HA -0.162 4.010 4.170 0.003 0.000 0.254 116 I C 2.422 178.557 176.117 0.030 0.000 1.160 116 I CA 1.244 62.560 61.300 0.025 0.000 1.445 116 I CB -0.404 37.606 38.000 0.016 0.000 1.086 116 I HN 0.464 nan 8.210 nan 0.000 0.433 117 E N 1.708 121.921 120.200 0.021 0.000 2.076 117 E HA -0.125 4.227 4.350 0.003 0.000 0.190 117 E C 2.211 178.822 176.600 0.018 0.000 0.979 117 E CA 1.207 57.615 56.400 0.014 0.000 0.807 117 E CB 0.225 29.927 29.700 0.003 0.000 0.761 117 E HN 0.404 nan 8.360 nan 0.000 0.454 118 A N 0.894 123.732 122.820 0.030 0.000 2.066 118 A HA -0.077 4.245 4.320 0.003 0.000 0.218 118 A C 2.085 179.732 177.584 0.104 0.000 1.157 118 A CA 0.694 52.754 52.037 0.038 0.000 0.670 118 A CB -0.294 18.735 19.000 0.048 0.000 0.804 118 A HN 0.301 nan 8.150 nan 0.000 0.453 119 L N -0.909 120.393 121.223 0.132 0.000 2.270 119 L HA 0.137 4.479 4.340 0.003 0.000 0.210 119 L C 1.727 178.728 176.870 0.219 0.000 1.104 119 L CA 1.528 56.503 54.840 0.224 0.000 0.804 119 L CB -0.147 41.979 42.059 0.112 0.000 0.937 119 L HN 0.187 nan 8.230 nan 0.000 0.450 120 K N -0.227 120.235 120.400 0.104 0.000 2.487 120 K HA -0.002 4.319 4.320 0.003 0.000 0.192 120 K C 1.181 177.796 176.600 0.025 0.000 1.027 120 K CA 0.306 56.635 56.287 0.070 0.000 1.054 120 K CB 0.097 32.620 32.500 0.038 0.000 0.824 120 K HN 0.418 nan 8.250 nan 0.000 0.510 121 E N -0.401 119.780 120.200 -0.033 0.000 2.502 121 E HA -0.078 4.274 4.350 0.003 0.000 0.194 121 E C 0.180 176.601 176.600 -0.299 0.000 1.062 121 E CA 0.449 56.744 56.400 -0.175 0.000 0.867 121 E CB 0.246 29.793 29.700 -0.254 0.000 0.888 121 E HN 0.341 nan 8.360 nan 0.000 0.510 122 Y N 0.715 121.018 120.300 0.006 0.000 2.458 122 Y HA 0.148 4.700 4.550 0.003 0.000 0.256 122 Y C 0.100 176.008 175.900 0.012 0.000 1.159 122 Y CA -0.045 58.061 58.100 0.010 0.000 1.261 122 Y CB 0.600 39.067 38.460 0.011 0.000 1.119 122 Y HN -0.119 nan 8.280 nan 0.000 0.524 123 E N 3.462 123.721 120.200 0.098 0.000 2.044 123 E HA 0.174 4.526 4.350 0.003 0.000 0.282 123 E C -2.423 174.194 176.600 0.029 0.000 1.031 123 E CA -1.999 54.440 56.400 0.065 0.000 0.824 123 E CB 0.557 30.288 29.700 0.051 0.000 1.076 123 E HN 0.082 nan 8.360 nan 0.000 0.395 124 P HA -0.017 nan 4.420 nan 0.000 0.276 124 P C 0.396 177.701 177.300 0.008 0.000 1.230 124 P CA 0.051 63.158 63.100 0.013 0.000 0.776 124 P CB 1.481 33.193 31.700 0.019 0.000 0.888 125 E N 2.348 122.547 120.200 -0.001 0.000 2.085 125 E HA -0.111 4.241 4.350 0.003 0.000 0.194 125 E C 0.279 176.879 176.600 0.001 0.000 0.994 125 E CA 1.062 57.462 56.400 -0.001 0.000 0.801 125 E CB 0.096 29.792 29.700 -0.007 0.000 0.743 125 E HN 0.398 nan 8.360 nan 0.000 0.453 126 M N -0.378 119.219 119.600 -0.004 0.000 2.664 126 M HA 0.506 4.987 4.480 0.003 0.000 0.314 126 M C 0.238 176.529 176.300 -0.014 0.000 1.200 126 M CA -0.554 54.740 55.300 -0.010 0.000 0.916 126 M CB 1.686 34.277 32.600 -0.015 0.000 1.717 126 M HN 0.038 nan 8.290 nan 0.000 0.470 127 G N 0.988 109.773 108.800 -0.024 0.000 2.680 127 G HA2 0.726 4.688 3.960 0.003 0.000 0.290 127 G HA3 0.726 4.688 3.960 0.003 0.000 0.290 127 G C -1.541 173.323 174.900 -0.060 0.000 1.355 127 G CA -0.716 44.364 45.100 -0.034 0.000 0.903 127 G HN 0.563 nan 8.290 nan 0.000 0.474 128 K N -0.001 120.352 120.400 -0.078 0.000 2.323 128 K HA 0.629 4.951 4.320 0.003 0.000 0.259 128 K C -0.529 175.964 176.600 -0.179 0.000 0.947 128 K CA -0.694 55.509 56.287 -0.141 0.000 0.819 128 K CB 2.354 34.767 32.500 -0.144 0.000 1.109 128 K HN 0.532 nan 8.250 nan 0.000 0.429 129 V N -0.522 119.243 119.914 -0.249 0.000 3.102 129 V HA 0.548 4.670 4.120 0.003 0.000 0.312 129 V C -1.373 174.488 176.094 -0.388 0.000 1.135 129 V CA -1.132 61.041 62.300 -0.211 0.000 1.022 129 V CB 1.204 32.967 31.823 -0.102 0.000 1.056 129 V HN 0.611 nan 8.190 nan 0.000 0.436 130 Y N 1.281 121.566 120.300 -0.025 0.000 2.334 130 Y HA 0.778 5.330 4.550 0.003 0.000 0.336 130 Y C 0.577 176.461 175.900 -0.027 0.000 0.960 130 Y CA -0.433 57.654 58.100 -0.021 0.000 1.164 130 Y CB 1.724 40.173 38.460 -0.017 0.000 1.155 130 Y HN 0.548 nan 8.280 nan 0.000 0.478 131 R N 0.961 121.519 120.500 0.096 0.000 2.854 131 R HA 0.644 4.986 4.340 0.003 0.000 0.271 131 R C 0.316 176.645 176.300 0.048 0.000 0.994 131 R CA -0.728 55.397 56.100 0.043 0.000 0.945 131 R CB 1.774 32.073 30.300 -0.002 0.000 1.194 131 R HN 0.750 nan 8.270 nan 0.000 0.476 132 A N 0.906 123.741 122.820 0.024 0.000 2.119 132 A HA -0.120 4.201 4.320 0.003 0.000 0.217 132 A C 1.164 178.759 177.584 0.019 0.000 1.153 132 A CA 1.340 53.391 52.037 0.023 0.000 0.692 132 A CB -0.222 18.784 19.000 0.009 0.000 0.799 132 A HN 0.822 nan 8.150 nan 0.000 0.458 133 D N -1.119 119.288 120.400 0.012 0.000 2.355 133 D HA -0.006 4.636 4.640 0.003 0.000 0.218 133 D C 0.242 176.550 176.300 0.013 0.000 1.004 133 D CA 0.262 54.267 54.000 0.008 0.000 0.880 133 D CB 0.115 40.915 40.800 0.001 0.000 0.911 133 D HN 0.097 nan 8.370 nan 0.000 0.528 134 R N 0.436 120.950 120.500 0.023 0.000 2.686 134 R HA 0.336 4.678 4.340 0.003 0.000 0.283 134 R C 0.777 177.112 176.300 0.058 0.000 0.978 134 R CA -0.617 55.501 56.100 0.029 0.000 0.897 134 R CB 1.823 32.132 30.300 0.015 0.000 1.192 134 R HN -0.125 nan 8.270 nan 0.000 0.457 135 K N 0.471 120.905 120.400 0.055 0.000 2.116 135 K HA 0.082 4.404 4.320 0.003 0.000 0.203 135 K C 0.301 176.981 176.600 0.133 0.000 1.052 135 K CA 0.901 57.234 56.287 0.076 0.000 0.952 135 K CB 0.224 32.751 32.500 0.046 0.000 0.729 135 K HN 0.474 nan 8.250 nan 0.000 0.446 136 S N 0.908 116.668 115.700 0.100 0.000 2.610 136 S HA 0.119 4.591 4.470 0.003 0.000 0.273 136 S C -0.039 174.573 174.600 0.021 0.000 1.274 136 S CA -0.867 57.398 58.200 0.107 0.000 1.023 136 S CB 2.117 65.341 63.200 0.040 0.000 0.962 136 S HN 0.017 nan 8.310 nan 0.000 0.523 137 V N 1.854 121.710 119.914 -0.097 0.000 2.814 137 V HA 0.022 4.144 4.120 0.003 0.000 0.307 137 V C -0.124 175.785 176.094 -0.308 0.000 1.089 137 V CA 0.764 62.678 62.300 -0.642 0.000 1.212 137 V CB 0.638 32.116 31.823 -0.576 0.000 0.912 137 V HN 0.840 nan 8.190 nan 0.000 0.497 138 Q N 5.620 125.228 119.800 -0.320 0.000 2.330 138 Q HA 0.440 4.782 4.340 0.003 0.000 0.269 138 Q C -0.657 175.254 176.000 -0.147 0.000 1.022 138 Q CA -0.666 55.036 55.803 -0.169 0.000 0.796 138 Q CB 1.938 30.600 28.738 -0.128 0.000 1.271 138 Q HN 0.705 nan 8.270 nan 0.000 0.450 139 R N 3.435 123.876 120.500 -0.098 0.000 2.216 139 R HA 0.400 4.742 4.340 0.003 0.000 0.332 139 R C -0.086 176.183 176.300 -0.051 0.000 1.056 139 R CA 0.089 56.146 56.100 -0.071 0.000 0.901 139 R CB 0.301 30.569 30.300 -0.053 0.000 1.039 139 R HN 0.578 nan 8.270 nan 0.000 0.456 140 I N -0.949 119.594 120.570 -0.046 0.000 3.108 140 I HA 0.495 4.667 4.170 0.003 0.000 0.312 140 I C -0.631 175.477 176.117 -0.015 0.000 1.095 140 I CA -1.332 59.951 61.300 -0.029 0.000 1.000 140 I CB 2.002 39.983 38.000 -0.032 0.000 1.229 140 I HN 0.176 nan 8.210 nan 0.000 0.454 141 K N 2.542 122.942 120.400 -0.000 0.000 2.451 141 K HA 0.176 4.498 4.320 0.003 0.000 0.280 141 K C 0.825 177.435 176.600 0.016 0.000 1.020 141 K CA 0.448 56.742 56.287 0.012 0.000 1.008 141 K CB 1.463 33.980 32.500 0.027 0.000 0.917 141 K HN 0.829 nan 8.250 nan 0.000 0.478 142 A N 4.367 127.196 122.820 0.015 0.000 2.121 142 A HA -0.173 4.149 4.320 0.003 0.000 0.218 142 A C 1.775 179.379 177.584 0.033 0.000 1.154 142 A CA 1.078 53.124 52.037 0.014 0.000 0.679 142 A CB -0.260 18.748 19.000 0.014 0.000 0.795 142 A HN 0.789 nan 8.150 nan 0.000 0.458 143 R N -0.835 119.701 120.500 0.060 0.000 2.276 143 R HA 0.033 4.375 4.340 0.003 0.000 0.203 143 R C -0.089 176.294 176.300 0.139 0.000 1.017 143 R CA 1.180 57.347 56.100 0.111 0.000 1.010 143 R CB -0.225 30.153 30.300 0.131 0.000 0.900 143 R HN 0.249 nan 8.270 nan 0.000 0.469 144 D N 1.180 121.626 120.400 0.076 0.000 2.369 144 D HA 0.098 4.740 4.640 0.003 0.000 0.211 144 D C 0.474 176.755 176.300 -0.031 0.000 1.077 144 D CA -0.003 54.007 54.000 0.016 0.000 0.842 144 D CB 0.439 41.260 40.800 0.035 0.000 0.947 144 D HN 0.321 nan 8.370 nan 0.000 0.509 145 I N 1.335 121.893 120.570 -0.021 0.000 2.396 145 I HA 0.234 4.406 4.170 0.003 0.000 0.292 145 I C -0.424 175.668 176.117 -0.041 0.000 0.999 145 I CA -0.529 60.748 61.300 -0.037 0.000 1.310 145 I CB 1.276 39.252 38.000 -0.041 0.000 1.404 145 I HN -0.305 nan 8.210 nan 0.000 0.496 146 V N 4.004 123.891 119.914 -0.045 0.000 2.864 146 V HA 0.679 4.801 4.120 0.003 0.000 0.314 146 V C -2.710 173.314 176.094 -0.117 0.000 1.073 146 V CA -2.515 59.774 62.300 -0.019 0.000 0.956 146 V CB 1.045 32.924 31.823 0.094 0.000 1.023 146 V HN 0.636 nan 8.190 nan 0.000 0.435 147 P HA 0.344 nan 4.420 nan 0.000 0.265 147 P C 0.947 177.868 177.300 -0.632 0.000 1.187 147 P CA 2.014 64.802 63.100 -0.521 0.000 0.766 147 P CB 0.754 31.994 31.700 -0.765 0.000 0.820 148 G N 1.111 109.276 108.800 -1.059 0.000 2.201 148 G HA2 -0.145 3.817 3.960 0.003 0.000 0.212 148 G HA3 -0.145 3.817 3.960 0.003 0.000 0.212 148 G C -0.242 174.446 174.900 -0.353 0.000 0.994 148 G CA 0.078 44.453 45.100 -1.208 0.000 0.644 148 G HN 0.683 nan 8.290 nan 0.000 0.508 149 D N 0.732 120.992 120.400 -0.234 0.000 2.268 149 D HA 0.549 5.191 4.640 0.003 0.000 0.249 149 D C 0.549 176.807 176.300 -0.071 0.000 1.008 149 D CA -1.293 52.646 54.000 -0.103 0.000 0.939 149 D CB 0.635 41.394 40.800 -0.069 0.000 1.170 149 D HN 0.044 nan 8.370 nan 0.000 0.468 150 I N 1.421 121.993 120.570 0.002 0.000 2.483 150 I HA 0.097 4.269 4.170 0.003 0.000 0.291 150 I C 0.368 176.537 176.117 0.086 0.000 1.112 150 I CA -0.394 60.943 61.300 0.062 0.000 1.350 150 I CB -0.024 38.048 38.000 0.120 0.000 1.419 150 I HN 0.215 nan 8.210 nan 0.000 0.523 151 V N 7.087 127.029 119.914 0.045 0.000 2.837 151 V HA 0.393 4.514 4.120 0.003 0.000 0.310 151 V C 0.179 176.318 176.094 0.075 0.000 1.059 151 V CA -0.508 61.808 62.300 0.025 0.000 1.004 151 V CB 2.389 34.200 31.823 -0.019 0.000 1.045 151 V HN 0.871 nan 8.190 nan 0.000 0.465 152 E N 2.746 122.971 120.200 0.042 0.000 2.293 152 E HA 0.727 5.079 4.350 0.003 0.000 0.270 152 E C -1.654 174.959 176.600 0.022 0.000 0.879 152 E CA -0.601 55.842 56.400 0.072 0.000 0.756 152 E CB 2.296 32.073 29.700 0.128 0.000 1.208 152 E HN 0.560 nan 8.360 nan 0.000 0.428 153 V N -0.195 119.736 119.914 0.029 0.000 3.114 153 V HA 1.045 5.167 4.120 0.003 0.000 0.308 153 V C -0.772 175.337 176.094 0.025 0.000 1.168 153 V CA -0.144 62.166 62.300 0.017 0.000 1.015 153 V CB 1.030 32.859 31.823 0.009 0.000 1.050 153 V HN 0.978 nan 8.190 nan 0.000 0.433 154 A N 1.189 124.022 122.820 0.022 0.000 2.524 154 A HA 0.883 5.205 4.320 0.003 0.000 0.303 154 A C -0.303 177.297 177.584 0.027 0.000 1.195 154 A CA -0.162 51.892 52.037 0.027 0.000 0.651 154 A CB 1.018 20.035 19.000 0.028 0.000 1.323 154 A HN 2.351 nan 8.150 nan 0.000 0.479 155 V N -0.914 119.018 119.914 0.030 0.000 2.681 155 V HA 0.396 4.518 4.120 0.003 0.000 0.306 155 V C 1.473 177.581 176.094 0.024 0.000 1.077 155 V CA 0.867 63.185 62.300 0.029 0.000 1.224 155 V CB -0.429 31.412 31.823 0.030 0.000 0.879 155 V HN 2.760 nan 8.190 nan 0.000 0.494 156 G N 2.632 111.447 108.800 0.025 0.000 2.199 156 G HA2 -0.223 3.738 3.960 0.003 0.000 0.254 156 G HA3 -0.223 3.738 3.960 0.003 0.000 0.254 156 G C -0.122 174.791 174.900 0.021 0.000 0.982 156 G CA 0.245 45.358 45.100 0.021 0.000 0.632 156 G HN 0.866 nan 8.290 nan 0.000 0.529 157 D N 0.635 121.048 120.400 0.022 0.000 2.382 157 D HA 0.450 5.092 4.640 0.003 0.000 0.245 157 D C 0.505 176.823 176.300 0.030 0.000 1.120 157 D CA 0.222 54.234 54.000 0.020 0.000 0.890 157 D CB 0.909 41.718 40.800 0.016 0.000 1.201 157 D HN 0.293 nan 8.370 nan 0.000 0.433 158 K N 1.627 122.047 120.400 0.033 0.000 2.262 158 K HA 0.257 4.579 4.320 0.003 0.000 0.282 158 K C -0.824 175.803 176.600 0.046 0.000 1.066 158 K CA -0.700 55.618 56.287 0.052 0.000 0.901 158 K CB 0.633 33.169 32.500 0.059 0.000 1.089 158 K HN 0.176 nan 8.250 nan 0.000 0.476 159 V N 7.258 127.201 119.914 0.048 0.000 2.584 159 V HA -0.029 4.093 4.120 0.003 0.000 0.303 159 V C -1.511 174.605 176.094 0.036 0.000 1.035 159 V CA -0.680 61.639 62.300 0.032 0.000 1.172 159 V CB 0.579 32.419 31.823 0.029 0.000 0.896 159 V HN 0.836 nan 8.190 nan 0.000 0.486 160 P HA 0.305 nan 4.420 nan 0.000 0.252 160 P C 0.080 177.388 177.300 0.013 0.000 1.218 160 P CA 0.693 63.803 63.100 0.017 0.000 0.807 160 P CB 0.717 32.417 31.700 0.001 0.000 1.072 161 A N -0.729 122.091 122.820 0.001 0.000 2.599 161 A HA 0.523 4.844 4.320 0.003 0.000 0.290 161 A C -1.583 175.993 177.584 -0.013 0.000 1.101 161 A CA -0.561 51.472 52.037 -0.005 0.000 0.674 161 A CB 0.204 19.183 19.000 -0.035 0.000 1.277 161 A HN -0.250 nan 8.150 nan 0.000 0.419 162 D N 1.171 121.569 120.400 -0.003 0.000 2.346 162 D HA 0.480 5.121 4.640 0.003 0.000 0.260 162 D C -0.449 175.789 176.300 -0.104 0.000 1.252 162 D CA 1.034 55.016 54.000 -0.030 0.000 0.895 162 D CB 0.105 40.944 40.800 0.064 0.000 1.097 162 D HN 0.386 nan 8.370 nan 0.000 0.489 163 I N 1.872 122.337 120.570 -0.176 0.000 2.545 163 I HA 0.305 4.476 4.170 0.003 0.000 0.292 163 I C 0.161 176.176 176.117 -0.171 0.000 1.040 163 I CA -1.226 59.986 61.300 -0.148 0.000 1.068 163 I CB 2.047 39.977 38.000 -0.117 0.000 1.251 163 I HN -0.026 nan 8.210 nan 0.000 0.424 164 R N 6.389 126.826 120.500 -0.105 0.000 2.210 164 R HA 0.426 4.767 4.340 0.003 0.000 0.338 164 R C -0.741 175.522 176.300 -0.063 0.000 1.062 164 R CA -0.233 55.820 56.100 -0.079 0.000 0.902 164 R CB -0.067 30.218 30.300 -0.024 0.000 1.050 164 R HN 0.493 nan 8.270 nan 0.000 0.461 165 I N 6.193 126.714 120.570 -0.080 0.000 2.752 165 I HA -0.129 4.043 4.170 0.003 0.000 0.289 165 I C 0.961 177.068 176.117 -0.017 0.000 1.197 165 I CA 0.472 61.740 61.300 -0.052 0.000 1.432 165 I CB 0.468 38.428 38.000 -0.067 0.000 1.359 165 I HN 0.655 nan 8.210 nan 0.000 0.571 166 L N 3.863 125.083 121.223 -0.005 0.000 2.547 166 L HA 0.199 4.540 4.340 0.003 0.000 0.218 166 L C 0.621 177.496 176.870 0.009 0.000 1.048 166 L CA 0.449 55.294 54.840 0.008 0.000 0.859 166 L CB 0.484 42.548 42.059 0.009 0.000 1.128 166 L HN 0.683 nan 8.230 nan 0.000 0.483 167 S N 0.216 115.919 115.700 0.005 0.000 2.545 167 S HA 0.422 4.894 4.470 0.003 0.000 0.259 167 S C -0.896 173.709 174.600 0.009 0.000 1.092 167 S CA -0.559 57.643 58.200 0.005 0.000 1.054 167 S CB 0.517 63.713 63.200 -0.006 0.000 1.146 167 S HN 0.094 nan 8.310 nan 0.000 0.447 168 I N 5.578 126.157 120.570 0.015 0.000 2.396 168 I HA 0.335 4.507 4.170 0.003 0.000 0.289 168 I C 1.132 177.258 176.117 0.016 0.000 1.056 168 I CA -0.485 60.827 61.300 0.020 0.000 1.365 168 I CB 0.983 39.001 38.000 0.030 0.000 1.407 168 I HN 0.527 nan 8.210 nan 0.000 0.509 169 K N 3.441 123.853 120.400 0.019 0.000 2.202 169 K HA 0.079 4.401 4.320 0.003 0.000 0.201 169 K C 1.034 177.646 176.600 0.020 0.000 1.051 169 K CA 0.471 56.767 56.287 0.016 0.000 0.977 169 K CB -0.216 32.296 32.500 0.020 0.000 0.792 169 K HN 0.726 nan 8.250 nan 0.000 0.469 170 S N 0.063 115.782 115.700 0.032 0.000 2.617 170 S HA 0.010 4.482 4.470 0.003 0.000 0.259 170 S C 1.354 175.978 174.600 0.040 0.000 1.301 170 S CA 0.142 58.367 58.200 0.042 0.000 0.984 170 S CB 0.986 64.219 63.200 0.055 0.000 0.954 170 S HN 0.220 nan 8.310 nan 0.000 0.572 171 T N -0.596 113.989 114.554 0.052 0.000 3.072 171 T HA 0.138 4.490 4.350 0.003 0.000 0.266 171 T C 0.499 175.232 174.700 0.056 0.000 1.127 171 T CA 1.219 63.343 62.100 0.040 0.000 1.107 171 T CB -0.609 68.294 68.868 0.059 0.000 0.910 171 T HN 0.859 nan 8.240 nan 0.000 0.513 172 T N 0.269 114.875 114.554 0.086 0.000 3.159 172 T HA 0.498 4.849 4.350 0.003 0.000 0.343 172 T C -2.308 172.456 174.700 0.107 0.000 1.364 172 T CA -0.755 61.415 62.100 0.118 0.000 1.102 172 T CB 1.185 70.172 68.868 0.199 0.000 1.263 172 T HN 0.145 nan 8.240 nan 0.000 0.477 173 L N 5.365 126.647 121.223 0.098 0.000 2.296 173 L HA 0.755 5.097 4.340 0.003 0.000 0.286 173 L C -0.462 176.456 176.870 0.080 0.000 1.023 173 L CA -0.356 54.529 54.840 0.075 0.000 0.812 173 L CB 0.833 42.921 42.059 0.047 0.000 1.223 173 L HN 0.568 nan 8.230 nan 0.000 0.421 174 R N 5.099 125.641 120.500 0.070 0.000 2.437 174 R HA 0.660 5.002 4.340 0.003 0.000 0.310 174 R C -1.490 174.839 176.300 0.049 0.000 0.955 174 R CA -0.813 55.324 56.100 0.063 0.000 0.851 174 R CB 1.693 32.028 30.300 0.057 0.000 1.161 174 R HN 0.384 nan 8.270 nan 0.000 0.446 175 V N 2.109 122.052 119.914 0.049 0.000 2.540 175 V HA 0.136 4.258 4.120 0.003 0.000 0.302 175 V C -0.404 175.722 176.094 0.052 0.000 1.035 175 V CA -0.849 61.481 62.300 0.050 0.000 0.873 175 V CB 2.183 34.038 31.823 0.053 0.000 0.992 175 V HN 0.623 nan 8.190 nan 0.000 0.428 176 D N 3.911 124.342 120.400 0.051 0.000 2.380 176 D HA 0.255 4.897 4.640 0.003 0.000 0.230 176 D C 0.204 176.536 176.300 0.052 0.000 1.154 176 D CA -0.169 53.859 54.000 0.047 0.000 0.859 176 D CB 1.286 42.113 40.800 0.044 0.000 1.045 176 D HN 0.603 nan 8.370 nan 0.000 0.495 177 Q N 2.058 121.887 119.800 0.048 0.000 2.268 177 Q HA 0.120 4.462 4.340 0.003 0.000 0.289 177 Q C 1.162 177.158 176.000 -0.007 0.000 0.893 177 Q CA -0.280 55.547 55.803 0.040 0.000 1.057 177 Q CB 0.462 29.240 28.738 0.067 0.000 1.173 177 Q HN 0.461 nan 8.270 nan 0.000 0.449 178 S N 0.385 116.080 115.700 -0.008 0.000 2.447 178 S HA -0.130 4.341 4.470 0.003 0.000 0.233 178 S C 1.804 176.362 174.600 -0.070 0.000 1.006 178 S CA 0.403 58.587 58.200 -0.025 0.000 0.957 178 S CB -0.268 62.931 63.200 -0.002 0.000 0.773 178 S HN 0.639 nan 8.310 nan 0.000 0.507 179 I N -0.224 120.281 120.570 -0.110 0.000 2.567 179 I HA -0.045 4.126 4.170 0.003 0.000 0.257 179 I C 1.166 177.175 176.117 -0.181 0.000 1.184 179 I CA 1.410 62.579 61.300 -0.218 0.000 1.451 179 I CB -0.184 37.603 38.000 -0.356 0.000 1.089 179 I HN 0.248 nan 8.210 nan 0.000 0.441 180 L N 0.595 121.735 121.223 -0.139 0.000 2.701 180 L HA 0.137 4.479 4.340 0.003 0.000 0.238 180 L C 1.942 178.739 176.870 -0.122 0.000 1.106 180 L CA 1.429 56.175 54.840 -0.157 0.000 0.898 180 L CB 0.139 42.071 42.059 -0.211 0.000 1.188 180 L HN 0.493 nan 8.230 nan 0.000 0.508 181 T N -6.930 107.574 114.554 -0.082 0.000 3.028 181 T HA 0.327 4.679 4.350 0.003 0.000 0.262 181 T C 1.387 176.068 174.700 -0.033 0.000 0.916 181 T CA 0.622 62.692 62.100 -0.051 0.000 0.873 181 T CB 0.642 69.490 68.868 -0.033 0.000 1.232 181 T HN 0.173 nan 8.240 nan 0.000 0.529 182 G N 1.673 110.451 108.800 -0.037 0.000 2.179 182 G HA2 -0.188 3.773 3.960 0.003 0.000 0.260 182 G HA3 -0.188 3.773 3.960 0.003 0.000 0.260 182 G C -0.286 174.611 174.900 -0.006 0.000 0.977 182 G CA 0.275 45.362 45.100 -0.022 0.000 0.641 182 G HN 0.658 nan 8.290 nan 0.000 0.533 183 E N 0.588 120.786 120.200 -0.003 0.000 2.145 183 E HA 0.492 4.844 4.350 0.003 0.000 0.270 183 E C 0.977 177.587 176.600 0.016 0.000 0.906 183 E CA 0.068 56.474 56.400 0.009 0.000 0.761 183 E CB 1.414 31.119 29.700 0.010 0.000 1.116 183 E HN 0.409 nan 8.360 nan 0.000 0.408 184 S N 1.200 116.916 115.700 0.026 0.000 2.607 184 S HA 0.013 4.484 4.470 0.003 0.000 0.224 184 S C 0.897 175.514 174.600 0.029 0.000 0.969 184 S CA -0.303 57.916 58.200 0.032 0.000 0.927 184 S CB -0.119 63.106 63.200 0.042 0.000 0.772 184 S HN 0.233 nan 8.310 nan 0.000 0.533 185 V N 2.595 122.524 119.914 0.025 0.000 2.872 185 V HA 0.112 4.234 4.120 0.003 0.000 0.307 185 V C 0.691 176.796 176.094 0.018 0.000 1.072 185 V CA -0.067 62.243 62.300 0.018 0.000 1.148 185 V CB 1.043 32.874 31.823 0.013 0.000 0.954 185 V HN 0.453 nan 8.190 nan 0.000 0.490 186 S N 3.170 118.875 115.700 0.008 0.000 2.455 186 S HA 0.215 4.687 4.470 0.003 0.000 0.278 186 S C -0.196 174.417 174.600 0.022 0.000 1.216 186 S CA -0.252 57.956 58.200 0.014 0.000 1.055 186 S CB 0.991 64.193 63.200 0.002 0.000 0.939 186 S HN 0.756 nan 8.310 nan 0.000 0.494 187 V N 6.424 126.363 119.914 0.041 0.000 2.432 187 V HA 0.424 4.546 4.120 0.003 0.000 0.271 187 V C -0.248 175.888 176.094 0.069 0.000 1.046 187 V CA -0.656 61.678 62.300 0.056 0.000 0.945 187 V CB 0.288 32.150 31.823 0.064 0.000 0.992 187 V HN 0.672 nan 8.190 nan 0.000 0.471 188 I N 7.302 127.929 120.570 0.095 0.000 2.322 188 I HA 0.402 4.574 4.170 0.003 0.000 0.292 188 I C 0.536 176.727 176.117 0.123 0.000 1.060 188 I CA -0.205 61.177 61.300 0.138 0.000 1.309 188 I CB 0.550 38.689 38.000 0.233 0.000 1.415 188 I HN 0.634 nan 8.210 nan 0.000 0.492 189 K N 5.940 126.386 120.400 0.076 0.000 2.090 189 K HA 0.506 4.827 4.320 0.003 0.000 0.249 189 K C -0.185 176.445 176.600 0.049 0.000 0.995 189 K CA -0.513 55.771 56.287 -0.005 0.000 0.914 189 K CB 1.618 34.091 32.500 -0.046 0.000 1.057 189 K HN 0.727 nan 8.250 nan 0.000 0.462 190 H N -3.293 115.796 119.070 0.031 0.000 3.038 190 H HA 0.418 4.976 4.556 0.003 0.000 0.289 190 H C -0.013 175.322 175.328 0.013 0.000 1.510 190 H CA -0.766 55.295 56.048 0.022 0.000 1.227 190 H CB 1.099 30.875 29.762 0.023 0.000 1.880 190 H HN 0.360 nan 8.280 nan 0.000 0.594 191 T N -0.647 114.065 114.554 0.263 0.000 2.975 191 T HA 0.143 4.495 4.350 0.003 0.000 0.257 191 T C -0.205 174.613 174.700 0.197 0.000 1.003 191 T CA -0.088 62.096 62.100 0.140 0.000 0.932 191 T CB 0.065 68.987 68.868 0.091 0.000 1.087 191 T HN 0.410 nan 8.240 nan 0.000 0.512 192 E N 2.793 123.230 120.200 0.395 0.000 2.343 192 E HA 0.285 4.637 4.350 0.003 0.000 0.269 192 E C -2.528 174.209 176.600 0.230 0.000 1.047 192 E CA -2.738 53.785 56.400 0.205 0.000 0.874 192 E CB 0.426 30.146 29.700 0.032 0.000 1.033 192 E HN 0.147 nan 8.360 nan 0.000 0.409 193 P HA -0.029 nan 4.420 nan 0.000 0.266 193 P C -0.479 176.903 177.300 0.138 0.000 1.193 193 P CA 0.112 63.287 63.100 0.124 0.000 0.770 193 P CB 0.463 32.215 31.700 0.088 0.000 0.836 194 V N 5.529 125.513 119.914 0.118 0.000 2.320 194 V HA 0.147 4.269 4.120 0.003 0.000 0.268 194 V C -1.586 174.526 176.094 0.030 0.000 1.021 194 V CA -1.208 61.121 62.300 0.049 0.000 0.813 194 V CB 1.170 32.962 31.823 -0.051 0.000 1.054 194 V HN 0.502 nan 8.190 nan 0.000 0.444 195 P HA -0.115 nan 4.420 nan 0.000 0.215 195 P C 0.568 177.931 177.300 0.106 0.000 1.153 195 P CA 0.923 64.079 63.100 0.092 0.000 0.853 195 P CB 0.167 31.904 31.700 0.061 0.000 0.788 196 D N -0.569 119.869 120.400 0.064 0.000 2.472 196 D HA -0.036 4.606 4.640 0.003 0.000 0.248 196 D C -1.609 174.789 176.300 0.163 0.000 1.174 196 D CA -1.355 52.693 54.000 0.080 0.000 0.883 196 D CB 0.466 41.295 40.800 0.048 0.000 1.149 196 D HN 0.089 nan 8.370 nan 0.000 0.488 197 P HA 0.052 nan 4.420 nan 0.000 0.227 197 P C 0.614 178.041 177.300 0.211 0.000 1.161 197 P CA 0.545 63.808 63.100 0.271 0.000 0.788 197 P CB 0.291 32.067 31.700 0.127 0.000 0.822 198 R N -0.024 120.560 120.500 0.140 0.000 2.346 198 R HA 0.310 4.651 4.340 0.003 0.000 0.225 198 R C 0.576 176.945 176.300 0.115 0.000 0.987 198 R CA -0.318 55.855 56.100 0.120 0.000 1.106 198 R CB -0.374 29.984 30.300 0.097 0.000 1.090 198 R HN 0.114 nan 8.270 nan 0.000 0.502 199 A N 1.079 123.963 122.820 0.106 0.000 2.462 199 A HA 0.267 4.588 4.320 0.003 0.000 0.243 199 A C 0.763 178.385 177.584 0.063 0.000 1.076 199 A CA -0.470 51.583 52.037 0.027 0.000 0.773 199 A CB 0.302 19.199 19.000 -0.171 0.000 1.010 199 A HN 0.154 nan 8.150 nan 0.000 0.493 200 V N 0.986 120.932 119.914 0.053 0.000 3.295 200 V HA 0.269 4.390 4.120 0.003 0.000 0.308 200 V C 1.181 177.279 176.094 0.008 0.000 1.068 200 V CA -0.534 61.793 62.300 0.045 0.000 1.062 200 V CB 0.329 32.195 31.823 0.072 0.000 1.162 200 V HN 0.852 nan 8.190 nan 0.000 0.456 201 N N 0.372 119.024 118.700 -0.080 0.000 2.061 201 N HA -0.224 4.518 4.740 0.003 0.000 0.193 201 N C 1.650 177.153 175.510 -0.013 0.000 1.030 201 N CA 2.077 55.015 53.050 -0.187 0.000 0.856 201 N CB -0.540 37.676 38.487 -0.452 0.000 1.023 201 N HN 0.814 nan 8.380 nan 0.000 0.424 202 Q N 0.325 120.120 119.800 -0.007 0.000 2.368 202 Q HA -0.079 4.263 4.340 0.003 0.000 0.210 202 Q C 0.772 176.804 176.000 0.054 0.000 0.982 202 Q CA 1.043 56.865 55.803 0.032 0.000 0.884 202 Q CB 0.101 28.857 28.738 0.030 0.000 0.933 202 Q HN 0.365 nan 8.270 nan 0.000 0.460 203 D N -0.695 119.733 120.400 0.047 0.000 2.380 203 D HA 0.020 4.661 4.640 0.003 0.000 0.212 203 D C -0.168 176.144 176.300 0.020 0.000 1.021 203 D CA 0.366 54.387 54.000 0.034 0.000 0.884 203 D CB 0.264 41.067 40.800 0.006 0.000 1.001 203 D HN 0.056 nan 8.370 nan 0.000 0.506 204 K N 1.574 121.999 120.400 0.043 0.000 2.121 204 K HA 0.136 4.458 4.320 0.003 0.000 0.235 204 K C 0.868 177.483 176.600 0.025 0.000 1.200 204 K CA 0.088 56.392 56.287 0.028 0.000 1.115 204 K CB 0.423 33.037 32.500 0.190 0.000 1.474 204 K HN -0.106 nan 8.250 nan 0.000 0.295 205 K N 1.301 121.658 120.400 -0.072 0.000 2.505 205 K HA -0.037 4.285 4.320 0.003 0.000 0.192 205 K C 0.620 176.936 176.600 -0.472 0.000 1.025 205 K CA 0.367 56.543 56.287 -0.184 0.000 1.086 205 K CB 0.170 32.617 32.500 -0.089 0.000 0.840 205 K HN 0.465 nan 8.250 nan 0.000 0.514 206 N N -0.284 118.190 118.700 -0.376 0.000 2.187 206 N HA 0.033 4.775 4.740 0.003 0.000 0.212 206 N C -0.048 175.340 175.510 -0.202 0.000 1.152 206 N CA -0.028 52.829 53.050 -0.322 0.000 0.872 206 N CB 0.453 38.823 38.487 -0.194 0.000 1.025 206 N HN -0.087 nan 8.380 nan 0.000 0.514 207 M N 0.921 120.370 119.600 -0.253 0.000 2.535 207 M HA 0.466 4.948 4.480 0.003 0.000 0.314 207 M C -0.796 175.161 176.300 -0.573 0.000 1.153 207 M CA -0.538 54.512 55.300 -0.417 0.000 0.924 207 M CB 2.534 34.809 32.600 -0.543 0.000 1.710 207 M HN -0.115 nan 8.290 nan 0.000 0.451 208 L N 1.879 122.775 121.223 -0.545 0.000 2.325 208 L HA 0.604 4.946 4.340 0.003 0.000 0.278 208 L C -1.206 175.318 176.870 -0.577 0.000 1.023 208 L CA -0.524 54.059 54.840 -0.427 0.000 0.811 208 L CB 1.360 43.309 42.059 -0.183 0.000 1.249 208 L HN 0.469 nan 8.230 nan 0.000 0.431 209 F N 0.377 120.323 119.950 -0.006 0.000 2.443 209 F HA 0.306 4.834 4.527 0.003 0.000 0.335 209 F C 0.791 176.588 175.800 -0.005 0.000 1.104 209 F CA -0.547 57.448 58.000 -0.009 0.000 1.013 209 F CB 1.909 40.900 39.000 -0.014 0.000 1.136 209 F HN 0.349 nan 8.300 nan 0.000 0.470 210 S N 1.781 117.576 115.700 0.159 0.000 2.549 210 S HA 0.408 4.880 4.470 0.003 0.000 0.286 210 S C 1.024 175.688 174.600 0.108 0.000 1.314 210 S CA 0.872 59.132 58.200 0.099 0.000 1.062 210 S CB 0.122 63.367 63.200 0.075 0.000 0.865 210 S HN 1.220 nan 8.310 nan 0.000 0.498 211 G N 3.283 112.145 108.800 0.104 0.000 2.399 211 G HA2 -0.268 3.694 3.960 0.003 0.000 0.216 211 G HA3 -0.268 3.694 3.960 0.003 0.000 0.216 211 G C 0.434 175.405 174.900 0.118 0.000 1.096 211 G CA 0.406 45.576 45.100 0.116 0.000 0.650 211 G HN 1.492 nan 8.290 nan 0.000 0.512 212 T N 0.754 115.368 114.554 0.101 0.000 2.726 212 T HA 0.484 4.836 4.350 0.003 0.000 0.294 212 T C 0.154 174.908 174.700 0.090 0.000 1.013 212 T CA 0.465 62.622 62.100 0.094 0.000 0.996 212 T CB 1.304 70.243 68.868 0.119 0.000 1.016 212 T HN 1.252 nan 8.240 nan 0.000 0.529 213 N N -0.353 118.394 118.700 0.079 0.000 2.229 213 N HA 0.236 4.978 4.740 0.003 0.000 0.298 213 N C -0.942 174.599 175.510 0.052 0.000 1.114 213 N CA -0.961 52.129 53.050 0.066 0.000 0.776 213 N CB 1.526 40.056 38.487 0.071 0.000 1.501 213 N HN 0.454 nan 8.380 nan 0.000 0.474 214 I N 1.719 122.314 120.570 0.042 0.000 2.494 214 I HA 0.049 4.220 4.170 0.003 0.000 0.289 214 I C 1.578 177.717 176.117 0.038 0.000 1.106 214 I CA -0.018 61.305 61.300 0.037 0.000 1.369 214 I CB -0.039 37.980 38.000 0.032 0.000 1.410 214 I HN 0.787 nan 8.210 nan 0.000 0.523 215 A N 5.747 128.591 122.820 0.039 0.000 1.935 215 A HA 0.500 4.822 4.320 0.003 0.000 0.214 215 A C 1.046 178.652 177.584 0.037 0.000 1.178 215 A CA 1.041 53.100 52.037 0.036 0.000 0.640 215 A CB 0.167 19.187 19.000 0.033 0.000 0.825 215 A HN 0.816 nan 8.150 nan 0.000 0.447 216 A N -2.758 120.088 122.820 0.044 0.000 2.594 216 A HA 0.648 4.970 4.320 0.003 0.000 0.296 216 A C 0.133 177.751 177.584 0.056 0.000 1.061 216 A CA 0.165 52.232 52.037 0.051 0.000 0.689 216 A CB 0.163 19.198 19.000 0.058 0.000 1.280 216 A HN 2.145 nan 8.150 nan 0.000 0.406 217 G N 0.362 109.195 108.800 0.055 0.000 2.434 217 G HA2 0.363 4.325 3.960 0.003 0.000 0.671 217 G HA3 0.363 4.325 3.960 0.003 0.000 0.671 217 G C -0.906 174.021 174.900 0.045 0.000 1.280 217 G CA -0.192 44.941 45.100 0.055 0.000 0.975 217 G HN 1.066 nan 8.290 nan 0.000 0.510 218 K N -0.387 120.039 120.400 0.044 0.000 2.464 218 K HA 0.789 5.110 4.320 0.003 0.000 0.253 218 K C -0.432 176.189 176.600 0.036 0.000 0.933 218 K CA -0.102 56.208 56.287 0.040 0.000 0.801 218 K CB 1.866 34.391 32.500 0.041 0.000 1.271 218 K HN 1.929 nan 8.250 nan 0.000 0.430 219 A N 2.804 125.645 122.820 0.035 0.000 2.610 219 A HA 0.653 4.974 4.320 0.003 0.000 0.291 219 A C -2.230 175.377 177.584 0.037 0.000 1.086 219 A CA -0.728 51.327 52.037 0.029 0.000 0.677 219 A CB 1.462 20.472 19.000 0.017 0.000 1.278 219 A HN 0.537 nan 8.150 nan 0.000 0.414 220 L N 0.707 121.948 121.223 0.030 0.000 2.341 220 L HA 0.820 5.161 4.340 0.003 0.000 0.278 220 L C 0.402 177.282 176.870 0.016 0.000 1.005 220 L CA 0.535 55.400 54.840 0.041 0.000 0.818 220 L CB 1.754 43.829 42.059 0.028 0.000 1.259 220 L HN 1.157 nan 8.230 nan 0.000 0.418 221 G N 3.942 112.750 108.800 0.014 0.000 3.105 221 G HA2 0.597 4.558 3.960 0.003 0.000 0.277 221 G HA3 0.597 4.558 3.960 0.003 0.000 0.277 221 G C -1.761 173.133 174.900 -0.009 0.000 1.375 221 G CA -0.607 44.487 45.100 -0.010 0.000 0.962 221 G HN 0.673 nan 8.290 nan 0.000 0.541 222 I N 0.282 120.835 120.570 -0.027 0.000 2.465 222 I HA 0.503 4.674 4.170 0.003 0.000 0.291 222 I C -0.542 175.513 176.117 -0.105 0.000 1.014 222 I CA -0.914 60.356 61.300 -0.049 0.000 1.093 222 I CB 1.993 39.998 38.000 0.008 0.000 1.267 222 I HN 0.227 nan 8.210 nan 0.000 0.431 223 V N 8.499 128.305 119.914 -0.181 0.000 2.479 223 V HA 0.166 4.287 4.120 0.003 0.000 0.281 223 V C 1.117 177.054 176.094 -0.262 0.000 1.031 223 V CA 0.716 62.896 62.300 -0.199 0.000 1.038 223 V CB 0.553 32.252 31.823 -0.207 0.000 0.981 223 V HN 0.982 nan 8.190 nan 0.000 0.478 224 A N 4.793 127.532 122.820 -0.136 0.000 1.861 224 A HA 0.234 4.556 4.320 0.003 0.000 0.212 224 A C 1.124 178.666 177.584 -0.071 0.000 1.199 224 A CA 1.286 53.297 52.037 -0.042 0.000 0.613 224 A CB 0.035 19.014 19.000 -0.035 0.000 0.846 224 A HN 0.862 nan 8.150 nan 0.000 0.446 225 T N -3.697 110.803 114.554 -0.090 0.000 2.864 225 T HA 0.597 4.949 4.350 0.003 0.000 0.299 225 T C -0.429 174.232 174.700 -0.065 0.000 1.166 225 T CA 0.069 62.117 62.100 -0.087 0.000 1.007 225 T CB 1.544 70.391 68.868 -0.036 0.000 1.219 225 T HN 0.684 nan 8.240 nan 0.000 0.506 226 T N -2.503 112.025 114.554 -0.044 0.000 2.831 226 T HA 0.813 5.165 4.350 0.003 0.000 0.287 226 T C 1.108 175.825 174.700 0.027 0.000 1.070 226 T CA 0.033 62.128 62.100 -0.008 0.000 1.010 226 T CB 0.998 69.863 68.868 -0.006 0.000 1.264 226 T HN 2.109 nan 8.240 nan 0.000 0.532 227 G N 0.263 109.088 108.800 0.041 0.000 2.629 227 G HA2 -0.341 3.621 3.960 0.003 0.000 0.313 227 G HA3 -0.341 3.621 3.960 0.003 0.000 0.313 227 G C 1.052 175.979 174.900 0.045 0.000 1.217 227 G CA 2.018 47.151 45.100 0.054 0.000 0.994 227 G HN 1.856 nan 8.290 nan 0.000 0.549 228 V N -1.821 118.120 119.914 0.046 0.000 3.129 228 V HA 0.274 4.395 4.120 0.003 0.000 0.259 228 V C 2.277 178.390 176.094 0.031 0.000 1.116 228 V CA 2.271 64.593 62.300 0.035 0.000 1.127 228 V CB 0.243 32.087 31.823 0.034 0.000 0.742 228 V HN 0.593 nan 8.190 nan 0.000 0.474 229 S N 1.260 116.982 115.700 0.037 0.000 2.786 229 S HA 0.112 4.583 4.470 0.003 0.000 0.223 229 S C 0.902 175.521 174.600 0.032 0.000 0.956 229 S CA 0.680 58.900 58.200 0.033 0.000 0.961 229 S CB -0.686 62.537 63.200 0.039 0.000 0.784 229 S HN 0.921 nan 8.310 nan 0.000 0.519 230 T N -1.768 112.807 114.554 0.035 0.000 2.932 230 T HA 0.433 4.785 4.350 0.003 0.000 0.289 230 T C 0.807 175.531 174.700 0.040 0.000 1.039 230 T CA -0.847 61.286 62.100 0.055 0.000 1.024 230 T CB 1.228 70.133 68.868 0.062 0.000 1.090 230 T HN -0.197 nan 8.240 nan 0.000 0.496 231 E N 0.405 120.640 120.200 0.059 0.000 2.147 231 E HA -0.154 4.197 4.350 0.003 0.000 0.199 231 E C 1.602 178.174 176.600 -0.047 0.000 1.005 231 E CA 1.215 57.598 56.400 -0.030 0.000 0.810 231 E CB -0.229 29.395 29.700 -0.127 0.000 0.736 231 E HN 0.744 nan 8.360 nan 0.000 0.460 232 I N -0.082 120.481 120.570 -0.012 0.000 2.876 232 I HA -0.053 4.119 4.170 0.003 0.000 0.264 232 I C 2.014 178.125 176.117 -0.010 0.000 1.204 232 I CA 0.866 62.151 61.300 -0.024 0.000 1.485 232 I CB -0.086 37.912 38.000 -0.005 0.000 1.103 232 I HN 0.036 nan 8.210 nan 0.000 0.446 233 G N 0.865 109.668 108.800 0.005 0.000 2.432 233 G HA2 -0.233 3.729 3.960 0.003 0.000 0.219 233 G HA3 -0.233 3.729 3.960 0.003 0.000 0.219 233 G C 1.663 176.557 174.900 -0.009 0.000 1.135 233 G CA 0.501 45.605 45.100 0.007 0.000 0.767 233 G HN 0.346 nan 8.290 nan 0.000 0.550 234 K N -0.258 120.128 120.400 -0.024 0.000 2.217 234 K HA 0.153 4.475 4.320 0.003 0.000 0.202 234 K C 2.275 178.845 176.600 -0.050 0.000 1.051 234 K CA 0.449 56.712 56.287 -0.040 0.000 0.952 234 K CB -0.058 32.406 32.500 -0.060 0.000 0.736 234 K HN 0.340 nan 8.250 nan 0.000 0.453 235 I N 0.666 121.204 120.570 -0.053 0.000 2.406 235 I HA -0.182 3.989 4.170 0.003 0.000 0.249 235 I C 2.679 178.774 176.117 -0.036 0.000 1.122 235 I CA 0.604 61.869 61.300 -0.058 0.000 1.431 235 I CB -0.100 37.858 38.000 -0.071 0.000 1.087 235 I HN 0.112 nan 8.210 nan 0.000 0.424 236 R N 1.315 121.802 120.500 -0.021 0.000 2.062 236 R HA -0.169 4.173 4.340 0.003 0.000 0.231 236 R C 1.697 177.992 176.300 -0.009 0.000 1.136 236 R CA 1.930 58.026 56.100 -0.007 0.000 0.948 236 R CB -0.497 29.807 30.300 0.007 0.000 0.845 236 R HN 0.294 nan 8.270 nan 0.000 0.430 237 D N 0.661 121.055 120.400 -0.010 0.000 2.104 237 D HA -0.204 4.437 4.640 0.003 0.000 0.194 237 D C 1.880 178.168 176.300 -0.019 0.000 0.994 237 D CA 1.239 55.233 54.000 -0.011 0.000 0.830 237 D CB -0.257 40.538 40.800 -0.010 0.000 0.959 237 D HN 0.247 nan 8.370 nan 0.000 0.452 238 Q N -0.585 119.197 119.800 -0.029 0.000 2.368 238 Q HA -0.068 4.274 4.340 0.003 0.000 0.210 238 Q C 1.885 177.867 176.000 -0.031 0.000 0.982 238 Q CA 1.015 56.795 55.803 -0.037 0.000 0.884 238 Q CB 0.113 28.820 28.738 -0.052 0.000 0.933 238 Q HN 0.312 nan 8.270 nan 0.000 0.460 239 M N -2.485 117.101 119.600 -0.023 0.000 2.615 239 M HA 0.196 4.678 4.480 0.003 0.000 0.262 239 M C 1.988 178.281 176.300 -0.012 0.000 1.198 239 M CA 0.775 56.064 55.300 -0.018 0.000 1.165 239 M CB 0.006 32.598 32.600 -0.013 0.000 1.310 239 M HN 0.228 nan 8.290 nan 0.000 0.494 240 A N 1.178 123.993 122.820 -0.009 0.000 1.872 240 A HA 0.121 4.442 4.320 0.003 0.000 0.214 240 A C 2.403 179.981 177.584 -0.009 0.000 1.187 240 A CA 1.725 53.758 52.037 -0.006 0.000 0.614 240 A CB -0.899 18.100 19.000 -0.002 0.000 0.826 240 A HN 0.393 nan 8.150 nan 0.000 0.442 241 A N 0.060 122.873 122.820 -0.012 0.000 1.859 241 A HA -0.097 4.225 4.320 0.003 0.000 0.218 241 A C 1.779 179.354 177.584 -0.015 0.000 1.242 241 A CA 2.275 54.304 52.037 -0.013 0.000 0.661 241 A CB -2.076 16.914 19.000 -0.017 0.000 0.842 241 A HN 0.857 nan 8.150 nan 0.000 0.455 242 T N -0.950 113.593 114.554 -0.018 0.000 2.900 242 T HA 0.458 4.809 4.350 0.003 0.000 0.307 242 T C -0.379 174.312 174.700 -0.015 0.000 1.065 242 T CA -0.098 61.991 62.100 -0.019 0.000 1.105 242 T CB 0.960 69.813 68.868 -0.024 0.000 0.979 242 T HN 0.336 nan 8.240 nan 0.000 0.544 243 E N 0.877 121.069 120.200 -0.013 0.000 2.171 243 E HA 0.327 4.679 4.350 0.003 0.000 0.271 243 E C -0.554 176.040 176.600 -0.010 0.000 0.916 243 E CA -0.689 55.704 56.400 -0.011 0.000 0.774 243 E CB 1.580 31.274 29.700 -0.010 0.000 1.128 243 E HN 0.681 nan 8.360 nan 0.000 0.403 244 Q N 3.241 123.036 119.800 -0.009 0.000 2.337 244 Q HA 0.010 4.352 4.340 0.003 0.000 0.255 244 Q C -0.812 175.186 176.000 -0.003 0.000 1.205 244 Q CA 0.074 55.873 55.803 -0.007 0.000 0.902 244 Q CB -0.066 28.668 28.738 -0.006 0.000 1.433 244 Q HN 0.293 nan 8.270 nan 0.000 0.471 245 D N 3.973 124.372 120.400 -0.002 0.000 2.506 245 D HA -0.050 4.592 4.640 0.003 0.000 0.234 245 D C -0.079 176.225 176.300 0.006 0.000 1.143 245 D CA 0.470 54.471 54.000 0.002 0.000 0.871 245 D CB 0.593 41.395 40.800 0.003 0.000 1.190 245 D HN 0.366 nan 8.370 nan 0.000 0.459 246 K N 1.545 121.950 120.400 0.009 0.000 2.448 246 K HA 0.050 4.372 4.320 0.003 0.000 0.278 246 K C 0.808 177.418 176.600 0.017 0.000 1.009 246 K CA -0.105 56.190 56.287 0.013 0.000 0.995 246 K CB -0.048 32.462 32.500 0.017 0.000 0.917 246 K HN 0.544 nan 8.250 nan 0.000 0.481 247 T N 0.374 114.939 114.554 0.019 0.000 2.636 247 T HA -0.016 4.335 4.350 0.003 0.000 0.348 247 T C -1.561 173.156 174.700 0.029 0.000 1.076 247 T CA -0.934 61.179 62.100 0.022 0.000 1.064 247 T CB -0.159 68.724 68.868 0.025 0.000 0.995 247 T HN 0.281 nan 8.240 nan 0.000 0.547 248 P HA 0.061 nan 4.420 nan 0.000 0.222 248 P C 1.560 178.898 177.300 0.063 0.000 1.147 248 P CA 0.685 63.809 63.100 0.041 0.000 0.790 248 P CB -0.131 31.589 31.700 0.032 0.000 0.780 249 L N -0.754 120.506 121.223 0.062 0.000 2.007 249 L HA -0.176 4.166 4.340 0.003 0.000 0.205 249 L C 2.474 179.371 176.870 0.046 0.000 1.073 249 L CA 1.587 56.461 54.840 0.057 0.000 0.744 249 L CB -1.187 40.900 42.059 0.045 0.000 0.898 249 L HN -0.046 nan 8.230 nan 0.000 0.435 250 Q N -0.617 119.208 119.800 0.043 0.000 2.291 250 Q HA -0.185 4.157 4.340 0.003 0.000 0.205 250 Q C 2.150 178.178 176.000 0.048 0.000 0.970 250 Q CA 0.682 56.512 55.803 0.044 0.000 0.876 250 Q CB -0.138 28.622 28.738 0.035 0.000 0.935 250 Q HN 0.466 nan 8.270 nan 0.000 0.455 251 Q N 1.001 120.828 119.800 0.045 0.000 2.002 251 Q HA -0.157 4.184 4.340 0.003 0.000 0.204 251 Q C 1.975 178.009 176.000 0.058 0.000 0.988 251 Q CA 1.317 57.147 55.803 0.046 0.000 0.843 251 Q CB -0.001 28.762 28.738 0.042 0.000 0.908 251 Q HN 0.292 nan 8.270 nan 0.000 0.420 252 K N 0.441 120.876 120.400 0.059 0.000 2.076 252 K HA 0.025 4.347 4.320 0.003 0.000 0.204 252 K C 2.331 178.983 176.600 0.087 0.000 1.051 252 K CA 0.537 56.861 56.287 0.062 0.000 0.949 252 K CB -0.342 32.181 32.500 0.038 0.000 0.726 252 K HN 0.213 nan 8.250 nan 0.000 0.443 253 L N 1.155 122.422 121.223 0.074 0.000 2.141 253 L HA -0.174 4.168 4.340 0.003 0.000 0.209 253 L C 2.294 179.270 176.870 0.176 0.000 1.094 253 L CA 1.098 56.010 54.840 0.121 0.000 0.763 253 L CB -0.422 41.682 42.059 0.075 0.000 0.908 253 L HN 0.139 nan 8.230 nan 0.000 0.437 254 D N 0.739 121.207 120.400 0.113 0.000 2.103 254 D HA -0.182 4.460 4.640 0.003 0.000 0.199 254 D C 1.852 178.205 176.300 0.088 0.000 0.978 254 D CA 1.346 55.398 54.000 0.087 0.000 0.829 254 D CB 0.153 40.987 40.800 0.055 0.000 0.981 254 D HN 0.440 nan 8.370 nan 0.000 0.464 255 E N -0.751 119.508 120.200 0.097 0.000 2.516 255 E HA -0.035 4.317 4.350 0.003 0.000 0.199 255 E C 1.639 178.319 176.600 0.132 0.000 1.069 255 E CA 0.240 56.691 56.400 0.085 0.000 0.876 255 E CB -0.775 28.968 29.700 0.071 0.000 0.843 255 E HN 0.327 nan 8.360 nan 0.000 0.530 256 F N 1.359 121.320 119.950 0.018 0.000 2.270 256 F HA 0.299 4.829 4.527 0.005 0.000 0.295 256 F C 2.097 177.910 175.800 0.021 0.000 1.087 256 F CA 1.159 59.174 58.000 0.025 0.000 1.365 256 F CB -0.338 38.679 39.000 0.028 0.000 1.056 256 F HN 0.118 nan 8.300 nan 0.000 0.506 257 G N -0.768 108.002 108.800 -0.051 0.000 2.776 257 G HA2 -0.156 3.806 3.960 0.003 0.000 0.209 257 G HA3 -0.156 3.806 3.960 0.003 0.000 0.209 257 G C 1.307 176.141 174.900 -0.109 0.000 1.145 257 G CA 0.721 45.740 45.100 -0.135 0.000 0.791 257 G HN 0.364 nan 8.290 nan 0.000 0.530 258 E N 0.739 120.894 120.200 -0.075 0.000 2.201 258 E HA -0.025 4.327 4.350 0.003 0.000 0.193 258 E C 2.639 179.193 176.600 -0.077 0.000 0.957 258 E CA 0.855 57.224 56.400 -0.052 0.000 0.858 258 E CB -0.162 29.532 29.700 -0.010 0.000 0.816 258 E HN 0.615 nan 8.360 nan 0.000 0.475 259 Q N -0.324 119.416 119.800 -0.100 0.000 2.250 259 Q HA 0.009 4.351 4.340 0.003 0.000 0.200 259 Q C 1.764 177.658 176.000 -0.177 0.000 0.941 259 Q CA 0.719 56.461 55.803 -0.101 0.000 0.872 259 Q CB -0.306 28.410 28.738 -0.037 0.000 0.965 259 Q HN 0.214 nan 8.270 nan 0.000 0.480 260 L N 1.320 122.337 121.223 -0.345 0.000 2.551 260 L HA 0.051 4.393 4.340 0.003 0.000 0.228 260 L C 2.106 178.847 176.870 -0.214 0.000 1.153 260 L CA 1.304 55.925 54.840 -0.366 0.000 0.851 260 L CB -0.270 41.397 42.059 -0.653 0.000 0.959 260 L HN 0.370 nan 8.230 nan 0.000 0.451 261 S N -1.120 114.480 115.700 -0.166 0.000 2.371 261 S HA -0.063 4.409 4.470 0.003 0.000 0.221 261 S C 1.933 176.477 174.600 -0.092 0.000 1.036 261 S CA 0.425 58.560 58.200 -0.108 0.000 0.965 261 S CB -0.068 63.082 63.200 -0.082 0.000 0.845 261 S HN 0.328 nan 8.310 nan 0.000 0.475 262 K N 1.276 121.623 120.400 -0.088 0.000 2.283 262 K HA 0.142 4.464 4.320 0.003 0.000 0.202 262 K C 1.999 178.550 176.600 -0.081 0.000 1.048 262 K CA 0.598 56.840 56.287 -0.076 0.000 0.948 262 K CB -0.891 31.572 32.500 -0.062 0.000 0.742 262 K HN 0.347 nan 8.250 nan 0.000 0.458 263 V N 1.097 120.956 119.914 -0.092 0.000 2.488 263 V HA -0.095 4.026 4.120 0.003 0.000 0.246 263 V C 2.100 178.133 176.094 -0.100 0.000 1.046 263 V CA 1.182 63.429 62.300 -0.089 0.000 1.053 263 V CB -0.196 31.577 31.823 -0.083 0.000 0.679 263 V HN 0.162 nan 8.190 nan 0.000 0.458 264 I N 0.386 120.896 120.570 -0.100 0.000 2.852 264 I HA -0.075 4.096 4.170 0.003 0.000 0.264 264 I C 2.314 178.378 176.117 -0.089 0.000 1.179 264 I CA 1.237 62.482 61.300 -0.092 0.000 1.480 264 I CB -0.124 37.827 38.000 -0.081 0.000 1.111 264 I HN 0.417 nan 8.210 nan 0.000 0.441 265 S N 0.193 115.839 115.700 -0.089 0.000 2.558 265 S HA 0.147 4.619 4.470 0.003 0.000 0.217 265 S C 1.537 176.074 174.600 -0.106 0.000 0.975 265 S CA 0.228 58.371 58.200 -0.095 0.000 0.912 265 S CB -0.042 63.108 63.200 -0.084 0.000 0.776 265 S HN 0.414 nan 8.310 nan 0.000 0.526 266 L N 0.060 121.225 121.223 -0.097 0.000 2.817 266 L HA 0.505 4.847 4.340 0.003 0.000 0.248 266 L C 1.821 178.638 176.870 -0.088 0.000 1.133 266 L CA 0.101 54.885 54.840 -0.094 0.000 0.935 266 L CB 0.145 42.158 42.059 -0.078 0.000 1.266 266 L HN 0.288 nan 8.230 nan 0.000 0.535 267 I N 0.158 120.667 120.570 -0.101 0.000 3.030 267 I HA -0.186 3.985 4.170 0.003 0.000 0.270 267 I C 2.138 178.233 176.117 -0.036 0.000 1.211 267 I CA 0.792 62.017 61.300 -0.125 0.000 1.479 267 I CB 0.352 38.225 38.000 -0.212 0.000 1.105 267 I HN 0.500 nan 8.210 nan 0.000 0.447 268 C N -0.734 118.541 119.300 -0.042 0.000 2.697 268 C HA 0.197 4.659 4.460 0.003 0.000 0.267 268 C C 2.333 177.273 174.990 -0.083 0.000 1.278 268 C CA 0.168 59.181 59.018 -0.009 0.000 1.708 268 C CB -1.598 26.119 27.740 -0.038 0.000 1.860 268 C HN 0.414 nan 8.230 nan 0.000 0.589 269 V N -0.294 119.537 119.914 -0.139 0.000 3.129 269 V HA 0.330 4.451 4.120 0.003 0.000 0.259 269 V C 2.352 178.400 176.094 -0.078 0.000 1.116 269 V CA 1.741 63.886 62.300 -0.260 0.000 1.127 269 V CB -0.971 30.709 31.823 -0.239 0.000 0.742 269 V HN 0.455 nan 8.190 nan 0.000 0.474 270 A N 1.265 124.118 122.820 0.055 0.000 2.021 270 A HA 0.100 4.422 4.320 0.003 0.000 0.216 270 A C 2.247 179.984 177.584 0.255 0.000 1.163 270 A CA 1.422 53.565 52.037 0.177 0.000 0.676 270 A CB -0.545 18.593 19.000 0.231 0.000 0.818 270 A HN 1.149 nan 8.150 nan 0.000 0.453 271 V N -4.322 115.749 119.914 0.261 0.000 3.078 271 V HA -0.150 3.971 4.120 0.003 0.000 0.265 271 V C 1.900 178.164 176.094 0.282 0.000 1.122 271 V CA 1.154 63.560 62.300 0.177 0.000 1.141 271 V CB -1.118 30.762 31.823 0.094 0.000 0.735 271 V HN 0.596 nan 8.190 nan 0.000 0.498 272 W N 0.389 121.743 121.300 0.090 0.000 2.409 272 W HA 0.207 4.868 4.660 0.002 0.000 0.299 272 W C 2.076 178.669 176.519 0.122 0.000 1.203 272 W CA 0.887 58.325 57.345 0.155 0.000 1.298 272 W CB -0.482 29.058 29.460 0.133 0.000 1.127 272 W HN 0.244 nan 8.180 nan 0.000 0.528 273 L N 0.826 122.235 121.223 0.310 0.000 2.682 273 L HA 0.006 4.348 4.340 0.003 0.000 0.240 273 L C 1.097 178.043 176.870 0.126 0.000 1.178 273 L CA -0.066 54.883 54.840 0.181 0.000 0.970 273 L CB -0.215 41.932 42.059 0.148 0.000 1.179 273 L HN -0.123 nan 8.230 nan 0.000 0.435 274 I N -0.966 119.675 120.570 0.120 0.000 3.265 274 I HA 0.047 4.218 4.170 0.003 0.000 0.282 274 I C 0.585 176.744 176.117 0.070 0.000 1.207 274 I CA 0.492 61.818 61.300 0.043 0.000 1.449 274 I CB -0.366 37.599 38.000 -0.058 0.000 1.121 274 I HN 0.264 nan 8.210 nan 0.000 0.442 275 N N 2.874 121.654 118.700 0.133 0.000 2.439 275 N HA 0.213 4.955 4.740 0.003 0.000 0.249 275 N C 0.814 176.389 175.510 0.108 0.000 1.003 275 N CA -0.216 52.927 53.050 0.155 0.000 0.942 275 N CB 2.319 41.010 38.487 0.340 0.000 1.115 275 N HN 0.038 nan 8.380 nan 0.000 0.505 276 I N 0.817 121.424 120.570 0.062 0.000 3.564 276 I HA 0.023 4.195 4.170 0.003 0.000 0.294 276 I C 1.717 177.858 176.117 0.040 0.000 1.289 276 I CA 0.730 62.060 61.300 0.050 0.000 1.325 276 I CB -0.648 37.373 38.000 0.035 0.000 1.039 276 I HN 0.589 nan 8.210 nan 0.000 0.474 277 G N -0.683 108.122 108.800 0.008 0.000 2.759 277 G HA2 -0.026 3.935 3.960 0.003 0.000 0.197 277 G HA3 -0.026 3.935 3.960 0.003 0.000 0.197 277 G C 1.275 176.187 174.900 0.021 0.000 1.067 277 G CA -0.099 44.986 45.100 -0.023 0.000 0.742 277 G HN 0.269 nan 8.290 nan 0.000 0.651 278 H N -0.380 118.780 119.070 0.151 0.000 2.543 278 H HA 0.032 4.589 4.556 0.002 0.000 0.286 278 H C 1.615 176.993 175.328 0.083 0.000 1.037 278 H CA 0.672 56.787 56.048 0.111 0.000 1.250 278 H CB 0.140 29.957 29.762 0.090 0.000 1.373 278 H HN 0.413 nan 8.280 nan 0.000 0.580 279 F N 1.759 121.739 119.950 0.049 0.000 2.582 279 F HA 0.019 4.549 4.527 0.006 0.000 0.290 279 F C 1.668 177.454 175.800 -0.024 0.000 1.115 279 F CA 0.367 58.360 58.000 -0.012 0.000 1.445 279 F CB 0.388 39.377 39.000 -0.018 0.000 1.126 279 F HN 0.079 nan 8.300 nan 0.000 0.574 280 N N -1.487 117.209 118.700 -0.007 0.000 2.187 280 N HA 0.027 4.769 4.740 0.003 0.000 0.212 280 N C -0.305 175.159 175.510 -0.075 0.000 1.152 280 N CA 0.223 53.219 53.050 -0.091 0.000 0.872 280 N CB -0.077 38.421 38.487 0.019 0.000 1.025 280 N HN 0.121 nan 8.380 nan 0.000 0.514 281 D N 1.478 121.841 120.400 -0.061 0.000 2.525 281 D HA 0.162 4.804 4.640 0.003 0.000 0.229 281 D C -1.502 174.613 176.300 -0.309 0.000 1.202 281 D CA -1.293 52.660 54.000 -0.079 0.000 0.828 281 D CB 0.316 41.191 40.800 0.124 0.000 1.008 281 D HN 0.324 nan 8.370 nan 0.000 0.493 282 P HA -0.052 nan 4.420 nan 0.000 0.252 282 P C 1.310 178.493 177.300 -0.195 0.000 1.265 282 P CA 0.413 63.370 63.100 -0.237 0.000 0.775 282 P CB 0.093 31.670 31.700 -0.206 0.000 1.128 283 V N -2.719 117.089 119.914 -0.175 0.000 2.992 283 V HA -0.046 4.076 4.120 0.003 0.000 0.250 283 V C 2.039 178.112 176.094 -0.035 0.000 1.090 283 V CA 1.183 63.434 62.300 -0.083 0.000 1.101 283 V CB -2.004 29.796 31.823 -0.039 0.000 0.743 283 V HN 0.210 nan 8.190 nan 0.000 0.468 284 H N 0.274 119.346 119.070 0.002 0.000 2.536 284 H HA 0.561 5.119 4.556 0.003 0.000 0.276 284 H C 1.601 176.951 175.328 0.036 0.000 1.019 284 H CA 0.188 56.244 56.048 0.014 0.000 1.159 284 H CB 0.018 29.782 29.762 0.005 0.000 1.373 284 H HN 0.495 nan 8.280 nan 0.000 0.584 285 G N 0.505 109.282 108.800 -0.038 0.000 3.444 285 G HA2 -0.404 3.558 3.960 0.003 0.000 0.222 285 G HA3 -0.404 3.558 3.960 0.003 0.000 0.222 285 G C 1.600 176.538 174.900 0.064 0.000 1.358 285 G CA 0.907 46.033 45.100 0.043 0.000 0.880 285 G HN 1.459 nan 8.290 nan 0.000 0.555 286 G N 0.108 109.039 108.800 0.218 0.000 2.337 286 G HA2 -0.015 3.947 3.960 0.003 0.000 0.290 286 G HA3 -0.015 3.947 3.960 0.003 0.000 0.290 286 G C 0.654 175.691 174.900 0.228 0.000 1.003 286 G CA 1.371 46.667 45.100 0.326 0.000 0.825 286 G HN 2.078 nan 8.290 nan 0.000 0.509 287 S N 0.564 116.349 115.700 0.142 0.000 4.045 287 S HA -0.095 4.377 4.470 0.003 0.000 0.208 287 S C 1.357 175.972 174.600 0.024 0.000 0.369 287 S CA 0.899 59.109 58.200 0.016 0.000 1.395 287 S CB -0.788 62.385 63.200 -0.045 0.000 1.660 287 S HN 0.808 nan 8.310 nan 0.000 0.307 288 W N 3.135 124.424 121.300 -0.018 0.000 1.525 288 W HA 0.229 4.893 4.660 0.006 0.000 0.338 288 W C 1.371 177.860 176.519 -0.050 0.000 1.606 288 W CA -0.322 56.990 57.345 -0.054 0.000 1.854 288 W CB -0.850 28.560 29.460 -0.083 0.000 1.510 288 W HN 0.549 nan 8.180 nan 0.000 0.820 289 I N -1.900 118.734 120.570 0.107 0.000 3.885 289 I HA -0.449 3.722 4.170 0.003 0.000 0.146 289 I C 1.958 178.050 176.117 -0.041 0.000 0.350 289 I CA 2.154 63.413 61.300 -0.069 0.000 1.245 289 I CB -1.196 36.652 38.000 -0.253 0.000 1.094 289 I HN 0.503 nan 8.210 nan 0.000 0.213 290 R N 1.820 122.320 120.500 0.001 0.000 2.290 290 R HA 0.192 4.534 4.340 0.003 0.000 0.197 290 R C 1.849 178.200 176.300 0.086 0.000 0.913 290 R CA 1.330 57.455 56.100 0.042 0.000 1.040 290 R CB -0.175 30.146 30.300 0.034 0.000 0.992 290 R HN 0.410 nan 8.270 nan 0.000 0.500 291 G N -0.756 108.047 108.800 0.006 0.000 2.534 291 G HA2 -0.091 3.871 3.960 0.003 0.000 0.217 291 G HA3 -0.091 3.871 3.960 0.003 0.000 0.217 291 G C 1.150 176.005 174.900 -0.075 0.000 1.128 291 G CA 0.588 45.589 45.100 -0.166 0.000 0.784 291 G HN 0.398 nan 8.290 nan 0.000 0.542 292 A N 0.244 123.046 122.820 -0.030 0.000 2.013 292 A HA 0.374 4.696 4.320 0.003 0.000 0.204 292 A C 1.693 179.293 177.584 0.027 0.000 1.262 292 A CA -0.015 51.954 52.037 -0.113 0.000 0.800 292 A CB 0.204 18.879 19.000 -0.542 0.000 0.909 292 A HN 0.208 nan 8.150 nan 0.000 0.472 293 I N -0.065 120.534 120.570 0.048 0.000 3.616 293 I HA -0.019 4.153 4.170 0.003 0.000 0.306 293 I C 1.149 177.431 176.117 0.274 0.000 1.232 293 I CA 1.214 62.583 61.300 0.114 0.000 1.182 293 I CB -0.965 37.068 38.000 0.056 0.000 1.007 293 I HN 0.567 nan 8.210 nan 0.000 0.479 294 Y N -0.265 120.155 120.300 0.201 0.000 2.965 294 Y HA 0.029 4.581 4.550 0.003 0.000 0.242 294 Y C 1.862 177.941 175.900 0.297 0.000 1.078 294 Y CA 0.254 58.490 58.100 0.227 0.000 1.288 294 Y CB -0.109 38.498 38.460 0.244 0.000 1.459 294 Y HN -0.053 nan 8.280 nan 0.000 0.438 295 Y N -0.314 120.044 120.300 0.097 0.000 2.242 295 Y HA -0.143 4.408 4.550 0.001 0.000 0.291 295 Y C 1.985 177.986 175.900 0.168 0.000 1.137 295 Y CA 1.886 60.036 58.100 0.084 0.000 1.181 295 Y CB -0.734 37.888 38.460 0.270 0.000 0.989 295 Y HN 0.145 nan 8.280 nan 0.000 0.527 296 F N -0.378 119.668 119.950 0.159 0.000 2.512 296 F HA 0.037 4.565 4.527 0.002 0.000 0.296 296 F C 2.170 178.001 175.800 0.052 0.000 1.110 296 F CA 0.747 58.805 58.000 0.097 0.000 1.446 296 F CB -0.382 38.670 39.000 0.088 0.000 1.092 296 F HN -0.089 nan 8.300 nan 0.000 0.554 297 K N 0.602 121.135 120.400 0.221 0.000 2.365 297 K HA -0.012 4.310 4.320 0.003 0.000 0.197 297 K C 1.550 178.180 176.600 0.050 0.000 1.042 297 K CA 0.930 57.296 56.287 0.133 0.000 0.987 297 K CB 0.004 32.598 32.500 0.156 0.000 0.779 297 K HN 0.311 nan 8.250 nan 0.000 0.484 298 I N -2.978 117.568 120.570 -0.041 0.000 3.526 298 I HA 0.310 4.482 4.170 0.003 0.000 0.294 298 I C 1.941 178.035 176.117 -0.039 0.000 1.229 298 I CA 0.410 61.664 61.300 -0.076 0.000 1.408 298 I CB -0.354 37.515 38.000 -0.219 0.000 1.127 298 I HN -0.100 nan 8.210 nan 0.000 0.439 299 A N 2.007 124.803 122.820 -0.040 0.000 1.917 299 A HA -0.171 4.151 4.320 0.003 0.000 0.219 299 A C 2.456 180.030 177.584 -0.016 0.000 1.182 299 A CA 2.925 54.936 52.037 -0.044 0.000 0.633 299 A CB -1.378 17.558 19.000 -0.107 0.000 0.819 299 A HN 0.586 nan 8.150 nan 0.000 0.448 300 V N -2.904 117.019 119.914 0.015 0.000 2.667 300 V HA 0.162 4.284 4.120 0.003 0.000 0.252 300 V C 2.259 178.378 176.094 0.041 0.000 1.065 300 V CA 1.770 64.092 62.300 0.038 0.000 1.083 300 V CB -0.884 30.982 31.823 0.071 0.000 0.692 300 V HN 0.540 nan 8.190 nan 0.000 0.468 301 A N -0.378 122.464 122.820 0.036 0.000 2.167 301 A HA 0.203 4.525 4.320 0.003 0.000 0.214 301 A C 1.959 179.561 177.584 0.030 0.000 1.151 301 A CA 1.510 53.571 52.037 0.040 0.000 0.735 301 A CB -0.276 18.749 19.000 0.041 0.000 0.802 301 A HN 0.578 nan 8.150 nan 0.000 0.467 302 L N -1.367 119.865 121.223 0.016 0.000 2.269 302 L HA 0.336 4.678 4.340 0.003 0.000 0.200 302 L C 2.597 179.464 176.870 -0.005 0.000 1.069 302 L CA 1.530 56.373 54.840 0.006 0.000 0.804 302 L CB -0.714 41.345 42.059 -0.001 0.000 0.987 302 L HN 0.251 nan 8.230 nan 0.000 0.468 303 A N -0.756 122.061 122.820 -0.005 0.000 1.849 303 A HA -0.251 4.071 4.320 0.003 0.000 0.217 303 A C 2.306 179.896 177.584 0.009 0.000 1.202 303 A CA 2.275 54.310 52.037 -0.004 0.000 0.629 303 A CB -1.462 17.541 19.000 0.004 0.000 0.834 303 A HN 0.273 nan 8.150 nan 0.000 0.447 304 V N -0.512 119.418 119.914 0.027 0.000 2.982 304 V HA -0.112 4.010 4.120 0.003 0.000 0.265 304 V C 2.434 178.546 176.094 0.030 0.000 1.122 304 V CA 2.061 64.384 62.300 0.039 0.000 1.143 304 V CB -0.631 31.228 31.823 0.060 0.000 0.726 304 V HN 0.637 nan 8.190 nan 0.000 0.507 305 A N -0.706 122.125 122.820 0.019 0.000 1.901 305 A HA 0.322 4.644 4.320 0.003 0.000 0.210 305 A C 2.322 179.906 177.584 -0.000 0.000 1.208 305 A CA 1.225 53.270 52.037 0.014 0.000 0.644 305 A CB -0.684 18.325 19.000 0.015 0.000 0.863 305 A HN 0.664 nan 8.150 nan 0.000 0.454 306 A N -0.112 122.702 122.820 -0.011 0.000 1.898 306 A HA 0.225 4.547 4.320 0.003 0.000 0.214 306 A C 0.912 178.487 177.584 -0.014 0.000 1.183 306 A CA 0.420 52.445 52.037 -0.020 0.000 0.622 306 A CB -0.425 18.548 19.000 -0.044 0.000 0.824 306 A HN 0.362 nan 8.150 nan 0.000 0.444 307 I N 0.620 121.182 120.570 -0.014 0.000 2.683 307 I HA 0.138 4.310 4.170 0.003 0.000 0.286 307 I C -2.676 173.446 176.117 0.008 0.000 1.175 307 I CA -2.444 58.854 61.300 -0.005 0.000 1.429 307 I CB -0.296 37.704 38.000 -0.001 0.000 1.371 307 I HN 0.011 nan 8.210 nan 0.000 0.569 308 P HA 0.318 nan 4.420 nan 0.000 0.274 308 P C -0.025 177.276 177.300 0.002 0.000 1.504 308 P CA -0.300 62.806 63.100 0.010 0.000 1.011 308 P CB 0.647 32.372 31.700 0.042 0.000 1.366 309 E N 1.541 121.735 120.200 -0.011 0.000 2.285 309 E HA -0.013 4.338 4.350 0.003 0.000 0.194 309 E C 2.104 178.686 176.600 -0.029 0.000 0.997 309 E CA 0.905 57.300 56.400 -0.008 0.000 0.845 309 E CB -0.403 29.300 29.700 0.004 0.000 0.782 309 E HN 0.471 nan 8.360 nan 0.000 0.491 310 G N 0.341 109.107 108.800 -0.057 0.000 2.777 310 G HA2 -0.075 3.887 3.960 0.003 0.000 0.211 310 G HA3 -0.075 3.887 3.960 0.003 0.000 0.211 310 G C 1.414 176.259 174.900 -0.092 0.000 1.149 310 G CA -0.038 45.008 45.100 -0.090 0.000 0.785 310 G HN 0.242 nan 8.290 nan 0.000 0.536 311 L N 1.092 122.286 121.223 -0.048 0.000 1.994 311 L HA 0.054 4.396 4.340 0.003 0.000 0.208 311 L C -0.191 176.676 176.870 -0.006 0.000 1.071 311 L CA 1.478 56.311 54.840 -0.011 0.000 0.745 311 L CB -0.601 41.488 42.059 0.050 0.000 0.892 311 L HN 0.041 nan 8.230 nan 0.000 0.431 312 P HA -0.171 nan 4.420 nan 0.000 0.218 312 P C 1.049 178.337 177.300 -0.020 0.000 1.146 312 P CA 1.946 65.050 63.100 0.007 0.000 0.813 312 P CB -0.120 31.586 31.700 0.010 0.000 0.778 313 A N -1.529 121.258 122.820 -0.056 0.000 2.044 313 A HA 0.028 4.350 4.320 0.003 0.000 0.213 313 A C 2.145 179.640 177.584 -0.149 0.000 1.169 313 A CA 0.746 52.730 52.037 -0.089 0.000 0.724 313 A CB -1.003 17.944 19.000 -0.089 0.000 0.840 313 A HN 0.004 nan 8.150 nan 0.000 0.463 314 V N 0.114 119.905 119.914 -0.205 0.000 2.446 314 V HA -0.154 3.968 4.120 0.003 0.000 0.244 314 V C 2.326 178.218 176.094 -0.337 0.000 1.039 314 V CA 1.417 63.487 62.300 -0.383 0.000 1.045 314 V CB -0.602 30.835 31.823 -0.643 0.000 0.681 314 V HN 0.547 nan 8.190 nan 0.000 0.459 315 I N 0.415 120.921 120.570 -0.107 0.000 2.091 315 I HA -0.391 3.781 4.170 0.003 0.000 0.240 315 I C 2.549 178.686 176.117 0.033 0.000 1.046 315 I CA 2.391 63.767 61.300 0.126 0.000 1.306 315 I CB -0.561 37.506 38.000 0.112 0.000 1.018 315 I HN 0.322 nan 8.210 nan 0.000 0.404 316 T N -0.209 114.331 114.554 -0.023 0.000 2.833 316 T HA -0.149 4.203 4.350 0.003 0.000 0.269 316 T C 1.693 176.332 174.700 -0.101 0.000 1.054 316 T CA 1.860 63.938 62.100 -0.037 0.000 1.135 316 T CB -0.313 68.537 68.868 -0.029 0.000 0.869 316 T HN 0.462 nan 8.240 nan 0.000 0.466 317 T N 0.254 114.716 114.554 -0.152 0.000 2.951 317 T HA -0.068 4.284 4.350 0.003 0.000 0.268 317 T C 2.221 176.812 174.700 -0.182 0.000 1.073 317 T CA 0.626 62.607 62.100 -0.199 0.000 1.134 317 T CB -0.627 68.099 68.868 -0.237 0.000 0.884 317 T HN 0.469 nan 8.240 nan 0.000 0.479 318 C N 0.988 120.220 119.300 -0.113 0.000 2.500 318 C HA 0.200 4.661 4.460 0.003 0.000 0.279 318 C C 2.596 177.559 174.990 -0.045 0.000 1.288 318 C CA 0.011 58.998 59.018 -0.052 0.000 1.710 318 C CB -1.441 26.397 27.740 0.164 0.000 2.052 318 C HN 0.530 nan 8.230 nan 0.000 0.488 319 L N 1.353 122.568 121.223 -0.013 0.000 2.013 319 L HA -0.165 4.177 4.340 0.003 0.000 0.212 319 L C 2.892 179.746 176.870 -0.027 0.000 1.073 319 L CA 2.011 56.847 54.840 -0.006 0.000 0.753 319 L CB -0.837 41.234 42.059 0.020 0.000 0.890 319 L HN 0.444 nan 8.230 nan 0.000 0.432 320 A N -0.988 121.798 122.820 -0.056 0.000 2.119 320 A HA -0.085 4.236 4.320 0.003 0.000 0.217 320 A C 2.131 179.663 177.584 -0.087 0.000 1.153 320 A CA 0.969 52.966 52.037 -0.067 0.000 0.692 320 A CB -0.279 18.640 19.000 -0.134 0.000 0.799 320 A HN 0.325 nan 8.150 nan 0.000 0.458 321 L N -1.152 120.002 121.223 -0.115 0.000 2.202 321 L HA 0.204 4.546 4.340 0.003 0.000 0.205 321 L C 2.386 179.201 176.870 -0.091 0.000 1.083 321 L CA 1.625 56.384 54.840 -0.134 0.000 0.790 321 L CB -0.376 41.545 42.059 -0.230 0.000 0.942 321 L HN 0.302 nan 8.230 nan 0.000 0.452 322 G N -2.290 106.464 108.800 -0.075 0.000 2.464 322 G HA2 -0.142 3.819 3.960 0.003 0.000 0.217 322 G HA3 -0.142 3.819 3.960 0.003 0.000 0.217 322 G C 1.443 176.327 174.900 -0.027 0.000 1.138 322 G CA 0.928 46.000 45.100 -0.046 0.000 0.793 322 G HN 0.304 nan 8.290 nan 0.000 0.539 323 T N 1.149 115.690 114.554 -0.022 0.000 2.643 323 T HA -0.146 4.206 4.350 0.003 0.000 0.264 323 T C 2.456 177.153 174.700 -0.004 0.000 1.045 323 T CA 1.617 63.715 62.100 -0.005 0.000 1.155 323 T CB -0.162 68.714 68.868 0.012 0.000 0.863 323 T HN 0.573 nan 8.240 nan 0.000 0.420 324 R N 0.880 121.373 120.500 -0.012 0.000 2.237 324 R HA 0.111 4.453 4.340 0.003 0.000 0.219 324 R C 2.313 178.607 176.300 -0.010 0.000 1.080 324 R CA 0.993 57.088 56.100 -0.008 0.000 0.995 324 R CB -0.181 30.109 30.300 -0.017 0.000 0.875 324 R HN 0.240 nan 8.270 nan 0.000 0.462 325 R N 0.098 120.589 120.500 -0.016 0.000 2.073 325 R HA 0.059 4.401 4.340 0.003 0.000 0.229 325 R C 2.063 178.359 176.300 -0.006 0.000 1.120 325 R CA 1.410 57.503 56.100 -0.011 0.000 0.967 325 R CB -0.020 30.269 30.300 -0.017 0.000 0.862 325 R HN 0.206 nan 8.270 nan 0.000 0.436 326 M N 0.022 119.617 119.600 -0.009 0.000 2.159 326 M HA -0.083 4.399 4.480 0.003 0.000 0.263 326 M C 2.337 178.634 176.300 -0.004 0.000 1.063 326 M CA 1.485 56.780 55.300 -0.009 0.000 1.110 326 M CB -1.129 31.464 32.600 -0.011 0.000 1.374 326 M HN 0.164 nan 8.290 nan 0.000 0.411 327 A N 0.098 122.918 122.820 -0.000 0.000 2.076 327 A HA -0.183 4.139 4.320 0.003 0.000 0.220 327 A C 2.289 179.875 177.584 0.005 0.000 1.160 327 A CA 1.623 53.662 52.037 0.004 0.000 0.653 327 A CB -0.605 18.400 19.000 0.008 0.000 0.801 327 A HN 0.509 nan 8.150 nan 0.000 0.455 328 K N -0.221 120.181 120.400 0.004 0.000 2.155 328 K HA -0.049 4.273 4.320 0.003 0.000 0.203 328 K C 1.205 177.809 176.600 0.006 0.000 1.052 328 K CA 1.044 57.335 56.287 0.006 0.000 0.948 328 K CB 0.052 32.556 32.500 0.007 0.000 0.728 328 K HN 0.247 nan 8.250 nan 0.000 0.448 329 K N 0.500 120.902 120.400 0.002 0.000 2.525 329 K HA 0.024 4.345 4.320 0.003 0.000 0.192 329 K C -0.130 176.470 176.600 0.001 0.000 1.029 329 K CA 0.432 56.719 56.287 0.001 0.000 1.029 329 K CB -0.296 32.200 32.500 -0.006 0.000 0.814 329 K HN 0.232 nan 8.250 nan 0.000 0.503 330 N N -0.572 118.129 118.700 0.002 0.000 2.901 330 N HA -0.171 4.571 4.740 0.003 0.000 0.248 330 N C -0.684 174.826 175.510 -0.001 0.000 1.044 330 N CA 0.540 53.592 53.050 0.004 0.000 0.847 330 N CB -1.002 37.489 38.487 0.008 0.000 1.127 330 N HN 0.364 nan 8.380 nan 0.000 0.562 331 A N 0.821 123.638 122.820 -0.006 0.000 2.294 331 A HA 0.556 4.877 4.320 0.003 0.000 0.316 331 A C 0.345 177.926 177.584 -0.006 0.000 1.359 331 A CA -0.328 51.702 52.037 -0.012 0.000 0.956 331 A CB 0.241 19.227 19.000 -0.024 0.000 1.155 331 A HN 0.315 nan 8.150 nan 0.000 0.544 332 I N 3.646 124.215 120.570 -0.002 0.000 2.421 332 I HA 0.077 4.248 4.170 0.003 0.000 0.291 332 I C -0.297 175.821 176.117 0.002 0.000 1.089 332 I CA -0.053 61.249 61.300 0.003 0.000 1.354 332 I CB 0.927 38.930 38.000 0.005 0.000 1.413 332 I HN 0.306 nan 8.210 nan 0.000 0.513 333 V N 8.051 127.969 119.914 0.007 0.000 2.406 333 V HA 0.225 4.347 4.120 0.003 0.000 0.272 333 V C 1.143 177.246 176.094 0.014 0.000 1.043 333 V CA -0.386 61.919 62.300 0.008 0.000 0.915 333 V CB 1.000 32.829 31.823 0.010 0.000 0.988 333 V HN 0.722 nan 8.190 nan 0.000 0.466 334 R N 2.191 122.696 120.500 0.008 0.000 2.312 334 R HA 0.239 4.581 4.340 0.003 0.000 0.205 334 R C 0.512 176.816 176.300 0.007 0.000 0.904 334 R CA 0.224 56.327 56.100 0.005 0.000 1.052 334 R CB 0.627 30.926 30.300 -0.001 0.000 1.014 334 R HN 0.597 nan 8.270 nan 0.000 0.503 335 S N -0.062 115.646 115.700 0.013 0.000 2.649 335 S HA 0.261 4.732 4.470 0.003 0.000 0.274 335 S C 0.521 175.138 174.600 0.027 0.000 1.176 335 S CA -0.756 57.454 58.200 0.018 0.000 0.988 335 S CB 1.050 64.255 63.200 0.009 0.000 1.071 335 S HN 0.075 nan 8.310 nan 0.000 0.478 336 L N 4.073 125.322 121.223 0.043 0.000 2.072 336 L HA 0.081 4.423 4.340 0.003 0.000 0.205 336 L C -0.849 176.042 176.870 0.035 0.000 1.079 336 L CA 0.951 55.818 54.840 0.046 0.000 0.752 336 L CB -1.753 40.348 42.059 0.069 0.000 0.906 336 L HN 0.479 nan 8.230 nan 0.000 0.436 337 P HA -0.187 nan 4.420 nan 0.000 0.218 337 P C 1.405 178.721 177.300 0.026 0.000 1.147 337 P CA 1.758 64.877 63.100 0.032 0.000 0.827 337 P CB -0.044 31.673 31.700 0.029 0.000 0.778 338 S N -3.340 112.371 115.700 0.019 0.000 2.540 338 S HA 0.084 4.556 4.470 0.003 0.000 0.218 338 S C 1.584 176.188 174.600 0.006 0.000 0.977 338 S CA -0.201 58.005 58.200 0.011 0.000 0.918 338 S CB -0.970 62.233 63.200 0.004 0.000 0.806 338 S HN -0.080 nan 8.310 nan 0.000 0.496 339 V N 2.820 122.740 119.914 0.010 0.000 2.343 339 V HA -0.207 3.915 4.120 0.003 0.000 0.247 339 V C 2.845 178.942 176.094 0.005 0.000 1.051 339 V CA 2.338 64.640 62.300 0.004 0.000 1.036 339 V CB -0.871 30.955 31.823 0.005 0.000 0.654 339 V HN 0.773 nan 8.190 nan 0.000 0.451 340 E N 1.457 121.668 120.200 0.018 0.000 2.170 340 E HA -0.151 4.201 4.350 0.003 0.000 0.191 340 E C 1.891 178.503 176.600 0.019 0.000 0.981 340 E CA 1.386 57.806 56.400 0.033 0.000 0.830 340 E CB -0.992 28.751 29.700 0.071 0.000 0.775 340 E HN 0.622 nan 8.360 nan 0.000 0.470 341 T N -1.163 113.398 114.554 0.012 0.000 3.051 341 T HA -0.057 4.294 4.350 0.003 0.000 0.269 341 T C 1.554 176.241 174.700 -0.021 0.000 1.127 341 T CA 0.809 62.907 62.100 -0.003 0.000 1.107 341 T CB -0.207 68.662 68.868 0.002 0.000 0.898 341 T HN 0.151 nan 8.240 nan 0.000 0.517 342 L N 1.358 122.567 121.223 -0.023 0.000 2.341 342 L HA 0.450 4.792 4.340 0.003 0.000 0.214 342 L C 2.496 179.341 176.870 -0.042 0.000 1.115 342 L CA 1.082 55.901 54.840 -0.035 0.000 0.820 342 L CB -0.857 41.179 42.059 -0.040 0.000 0.944 342 L HN 0.380 nan 8.230 nan 0.000 0.452 343 G N -1.095 107.681 108.800 -0.040 0.000 2.443 343 G HA2 -0.251 3.710 3.960 0.003 0.000 0.219 343 G HA3 -0.251 3.710 3.960 0.003 0.000 0.219 343 G C 1.352 176.200 174.900 -0.087 0.000 1.131 343 G CA 0.890 45.958 45.100 -0.054 0.000 0.775 343 G HN 0.616 nan 8.290 nan 0.000 0.547 344 C N 0.309 119.550 119.300 -0.099 0.000 3.038 344 C HA 0.444 4.905 4.460 0.003 0.000 0.279 344 C C 1.396 176.340 174.990 -0.077 0.000 1.276 344 C CA -0.194 58.750 59.018 -0.125 0.000 1.697 344 C CB -1.294 26.335 27.740 -0.185 0.000 2.032 344 C HN 0.323 nan 8.230 nan 0.000 0.636 345 T N 0.553 115.075 114.554 -0.053 0.000 2.930 345 T HA 0.352 4.704 4.350 0.003 0.000 0.306 345 T C 0.978 175.662 174.700 -0.027 0.000 1.045 345 T CA 0.774 62.854 62.100 -0.033 0.000 1.134 345 T CB 1.123 69.975 68.868 -0.026 0.000 0.961 345 T HN 0.694 nan 8.240 nan 0.000 0.545 346 S N 2.023 117.715 115.700 -0.013 0.000 2.499 346 S HA 0.258 4.730 4.470 0.003 0.000 0.225 346 S C 0.546 175.150 174.600 0.006 0.000 1.050 346 S CA -0.110 58.086 58.200 -0.007 0.000 0.928 346 S CB -0.143 63.054 63.200 -0.005 0.000 0.803 346 S HN 0.747 nan 8.310 nan 0.000 0.506 347 V N 1.648 121.572 119.914 0.016 0.000 2.715 347 V HA 0.585 4.707 4.120 0.003 0.000 0.310 347 V C -0.574 175.534 176.094 0.023 0.000 1.054 347 V CA -0.981 61.336 62.300 0.028 0.000 0.928 347 V CB 1.602 33.452 31.823 0.046 0.000 1.007 347 V HN 0.353 nan 8.190 nan 0.000 0.437 348 I N 2.229 122.819 120.570 0.034 0.000 2.437 348 I HA 0.309 4.480 4.170 0.003 0.000 0.279 348 I C -0.277 175.873 176.117 0.055 0.000 1.028 348 I CA -0.111 61.212 61.300 0.039 0.000 1.142 348 I CB 1.333 39.363 38.000 0.050 0.000 1.266 348 I HN 0.622 nan 8.210 nan 0.000 0.461 349 C N 3.802 123.125 119.300 0.038 0.000 2.652 349 C HA 0.485 4.947 4.460 0.003 0.000 0.412 349 C C 0.966 175.987 174.990 0.052 0.000 1.294 349 C CA 0.208 59.246 59.018 0.032 0.000 2.127 349 C CB 0.735 28.471 27.740 -0.006 0.000 2.691 349 C HN 0.825 nan 8.230 nan 0.000 0.615 350 S N 0.157 115.887 115.700 0.051 0.000 2.596 350 S HA 0.534 5.006 4.470 0.003 0.000 0.270 350 S C -1.789 172.829 174.600 0.030 0.000 1.155 350 S CA -0.564 57.676 58.200 0.068 0.000 0.827 350 S CB 1.740 65.015 63.200 0.126 0.000 1.130 350 S HN 0.858 nan 8.310 nan 0.000 0.467 351 D N 0.996 121.413 120.400 0.029 0.000 2.248 351 D HA 0.469 5.111 4.640 0.003 0.000 0.246 351 D C 0.661 176.954 176.300 -0.012 0.000 1.027 351 D CA -0.603 53.401 54.000 0.008 0.000 0.853 351 D CB 1.601 42.408 40.800 0.011 0.000 1.243 351 D HN 0.434 nan 8.370 nan 0.000 0.462 352 K N 1.197 121.584 120.400 -0.022 0.000 2.005 352 K HA 0.052 4.374 4.320 0.003 0.000 0.214 352 K C 0.060 176.637 176.600 -0.039 0.000 1.030 352 K CA 0.472 56.732 56.287 -0.045 0.000 0.955 352 K CB -0.357 32.121 32.500 -0.037 0.000 0.767 352 K HN 0.552 nan 8.250 nan 0.000 0.446 353 T N 0.552 115.092 114.554 -0.024 0.000 2.891 353 T HA 0.086 4.438 4.350 0.003 0.000 0.296 353 T C 0.868 175.564 174.700 -0.006 0.000 1.025 353 T CA 0.876 62.966 62.100 -0.016 0.000 1.149 353 T CB 0.270 69.135 68.868 -0.005 0.000 1.007 353 T HN 0.710 nan 8.240 nan 0.000 0.528 354 G N 2.581 111.378 108.800 -0.005 0.000 2.347 354 G HA2 -0.374 3.588 3.960 0.003 0.000 0.247 354 G HA3 -0.374 3.588 3.960 0.003 0.000 0.247 354 G C 1.181 176.093 174.900 0.020 0.000 1.037 354 G CA 1.431 46.539 45.100 0.013 0.000 0.622 354 G HN 1.057 nan 8.290 nan 0.000 0.521 355 T N -1.194 113.367 114.554 0.011 0.000 3.053 355 T HA 0.400 4.752 4.350 0.003 0.000 0.236 355 T C 2.385 177.060 174.700 -0.041 0.000 0.996 355 T CA 1.273 63.399 62.100 0.043 0.000 1.185 355 T CB -0.106 68.815 68.868 0.088 0.000 0.892 355 T HN 0.348 nan 8.240 nan 0.000 0.432 356 L N 1.832 122.970 121.223 -0.141 0.000 2.307 356 L HA 0.283 4.625 4.340 0.003 0.000 0.211 356 L C 1.391 178.146 176.870 -0.191 0.000 1.099 356 L CA 0.783 55.445 54.840 -0.297 0.000 0.816 356 L CB 0.020 41.904 42.059 -0.291 0.000 0.952 356 L HN 0.536 nan 8.230 nan 0.000 0.455 357 T N -5.277 109.209 114.554 -0.114 0.000 2.924 357 T HA 0.207 4.559 4.350 0.003 0.000 0.291 357 T C 0.971 175.635 174.700 -0.060 0.000 1.045 357 T CA -0.027 62.019 62.100 -0.089 0.000 1.015 357 T CB 1.657 70.477 68.868 -0.080 0.000 1.103 357 T HN 0.118 nan 8.240 nan 0.000 0.496 358 T N -0.501 114.015 114.554 -0.064 0.000 3.113 358 T HA 0.012 4.364 4.350 0.003 0.000 0.263 358 T C 1.137 175.814 174.700 -0.037 0.000 1.143 358 T CA 0.813 62.884 62.100 -0.048 0.000 1.090 358 T CB -0.808 68.017 68.868 -0.073 0.000 0.922 358 T HN 0.969 nan 8.240 nan 0.000 0.521 359 N N 1.606 120.282 118.700 -0.041 0.000 2.708 359 N HA -0.185 4.557 4.740 0.003 0.000 0.249 359 N C -1.065 174.442 175.510 -0.005 0.000 1.097 359 N CA 0.764 53.808 53.050 -0.010 0.000 0.710 359 N CB -1.542 36.958 38.487 0.022 0.000 1.032 359 N HN 0.793 nan 8.380 nan 0.000 0.551 360 Q N 0.075 119.793 119.800 -0.136 0.000 2.320 360 Q HA 0.270 4.612 4.340 0.003 0.000 0.268 360 Q C -0.251 175.459 176.000 -0.484 0.000 1.023 360 Q CA -0.857 54.680 55.803 -0.443 0.000 0.744 360 Q CB 1.406 29.737 28.738 -0.678 0.000 1.246 360 Q HN 0.298 nan 8.270 nan 0.000 0.462 361 M N 1.960 121.369 119.600 -0.318 0.000 2.248 361 M HA 0.053 4.535 4.480 0.003 0.000 0.345 361 M C -0.597 175.577 176.300 -0.210 0.000 1.243 361 M CA 0.943 56.152 55.300 -0.152 0.000 1.090 361 M CB 0.509 33.121 32.600 0.021 0.000 1.683 361 M HN 0.394 nan 8.290 nan 0.000 0.450 362 S N 3.176 118.786 115.700 -0.151 0.000 2.557 362 S HA 0.609 5.081 4.470 0.003 0.000 0.291 362 S C -1.144 173.393 174.600 -0.104 0.000 1.116 362 S CA -0.910 57.205 58.200 -0.141 0.000 0.992 362 S CB 1.414 64.517 63.200 -0.160 0.000 1.028 362 S HN 0.516 nan 8.310 nan 0.000 0.484 363 V N 3.008 122.868 119.914 -0.091 0.000 2.555 363 V HA 0.178 4.300 4.120 0.003 0.000 0.286 363 V C 1.062 177.087 176.094 -0.116 0.000 1.044 363 V CA -0.226 62.017 62.300 -0.096 0.000 1.026 363 V CB 0.477 32.251 31.823 -0.082 0.000 0.981 363 V HN 1.181 nan 8.190 nan 0.000 0.480 364 C N 2.050 121.263 119.300 -0.146 0.000 4.015 364 C HA 0.574 5.036 4.460 0.003 0.000 0.323 364 C C 0.100 174.960 174.990 -0.217 0.000 1.724 364 C CA -0.669 58.252 59.018 -0.161 0.000 1.828 364 C CB -1.105 26.538 27.740 -0.161 0.000 3.083 364 C HN 0.810 nan 8.230 nan 0.000 0.640 365 K N 1.275 121.513 120.400 -0.269 0.000 2.562 365 K HA 0.752 5.074 4.320 0.003 0.000 0.267 365 K C -1.261 175.237 176.600 -0.169 0.000 0.938 365 K CA -0.219 55.827 56.287 -0.401 0.000 0.840 365 K CB 2.262 34.114 32.500 -1.081 0.000 1.390 365 K HN 0.582 nan 8.250 nan 0.000 0.428 366 M N 0.709 120.402 119.600 0.155 0.000 2.660 366 M HA 0.521 5.002 4.480 0.003 0.000 0.281 366 M C -1.825 174.815 176.300 0.566 0.000 1.131 366 M CA -1.048 54.447 55.300 0.326 0.000 0.858 366 M CB 1.364 34.027 32.600 0.105 0.000 1.732 366 M HN 0.486 nan 8.290 nan 0.000 0.516 367 F N 1.950 122.135 119.950 0.392 0.000 2.581 367 F HA 0.909 5.438 4.527 0.003 0.000 0.311 367 F C -1.089 174.830 175.800 0.198 0.000 1.113 367 F CA -1.162 57.008 58.000 0.284 0.000 0.935 367 F CB 1.237 40.337 39.000 0.167 0.000 1.232 367 F HN 0.813 nan 8.300 nan 0.000 0.445 368 I N 1.363 122.239 120.570 0.511 0.000 3.204 368 I HA 0.576 4.748 4.170 0.003 0.000 0.313 368 I C -0.457 175.900 176.117 0.400 0.000 1.082 368 I CA -1.260 60.272 61.300 0.387 0.000 1.033 368 I CB 1.437 39.600 38.000 0.272 0.000 1.304 368 I HN 0.471 nan 8.210 nan 0.000 0.536 369 I N 1.957 122.721 120.570 0.324 0.000 2.581 369 I HA 0.125 4.296 4.170 0.003 0.000 0.288 369 I C 0.577 176.787 176.117 0.155 0.000 1.047 369 I CA 0.327 61.752 61.300 0.208 0.000 1.374 369 I CB 0.853 38.971 38.000 0.197 0.000 1.423 369 I HN 0.776 nan 8.210 nan 0.000 0.549 370 D N 4.012 124.460 120.400 0.080 0.000 2.429 370 D HA 0.087 4.729 4.640 0.003 0.000 0.242 370 D C 0.119 176.470 176.300 0.085 0.000 1.076 370 D CA 1.356 55.411 54.000 0.090 0.000 0.955 370 D CB 0.699 41.533 40.800 0.055 0.000 1.076 370 D HN 0.297 nan 8.370 nan 0.000 0.448 371 K N -0.090 120.346 120.400 0.061 0.000 2.464 371 K HA 0.467 4.789 4.320 0.003 0.000 0.253 371 K C -1.363 175.271 176.600 0.056 0.000 0.933 371 K CA -0.778 55.567 56.287 0.095 0.000 0.801 371 K CB 2.990 35.600 32.500 0.183 0.000 1.271 371 K HN -0.116 nan 8.250 nan 0.000 0.430 372 V N 1.990 121.950 119.914 0.077 0.000 2.380 372 V HA 0.199 4.321 4.120 0.003 0.000 0.286 372 V C -0.872 175.288 176.094 0.109 0.000 1.015 372 V CA -0.780 61.556 62.300 0.059 0.000 0.834 372 V CB 1.396 33.240 31.823 0.034 0.000 1.009 372 V HN 0.645 nan 8.190 nan 0.000 0.428 373 D N 3.961 124.468 120.400 0.179 0.000 2.438 373 D HA 0.551 5.193 4.640 0.003 0.000 0.257 373 D C 0.999 177.380 176.300 0.134 0.000 1.148 373 D CA 0.831 54.923 54.000 0.154 0.000 0.902 373 D CB 1.236 42.137 40.800 0.168 0.000 1.062 373 D HN 0.682 nan 8.370 nan 0.000 0.518 374 G N 4.525 113.373 108.800 0.080 0.000 2.704 374 G HA2 -0.429 3.533 3.960 0.003 0.000 0.344 374 G HA3 -0.429 3.533 3.960 0.003 0.000 0.344 374 G C 0.920 175.857 174.900 0.061 0.000 1.200 374 G CA 0.822 45.958 45.100 0.060 0.000 0.962 374 G HN 0.537 nan 8.290 nan 0.000 0.552 375 D N 0.416 120.861 120.400 0.076 0.000 2.349 375 D HA 0.347 4.989 4.640 0.003 0.000 0.224 375 D C 0.279 176.645 176.300 0.110 0.000 1.029 375 D CA 0.244 54.283 54.000 0.064 0.000 0.879 375 D CB 0.002 40.833 40.800 0.053 0.000 0.906 375 D HN 0.202 nan 8.370 nan 0.000 0.528 376 F N 0.603 120.537 119.950 -0.027 0.000 2.482 376 F HA 0.434 4.963 4.527 0.003 0.000 0.331 376 F C -0.998 174.780 175.800 -0.038 0.000 1.115 376 F CA -1.302 56.678 58.000 -0.033 0.000 0.955 376 F CB 1.075 40.059 39.000 -0.027 0.000 1.136 376 F HN -0.193 nan 8.300 nan 0.000 0.452 377 C N 5.228 123.966 119.300 -0.937 0.000 2.626 377 C HA 0.894 5.356 4.460 0.003 0.000 0.310 377 C C -1.064 173.335 174.990 -0.986 0.000 1.191 377 C CA -0.074 58.485 59.018 -0.765 0.000 1.517 377 C CB 0.718 28.220 27.740 -0.397 0.000 2.102 377 C HN 1.007 nan 8.230 nan 0.000 0.479 378 S N 5.068 120.407 115.700 -0.601 0.000 2.549 378 S HA 0.860 5.331 4.470 0.003 0.000 0.280 378 S C -1.286 173.184 174.600 -0.216 0.000 1.109 378 S CA -0.724 57.247 58.200 -0.382 0.000 0.905 378 S CB 1.150 64.252 63.200 -0.163 0.000 1.081 378 S HN 0.795 nan 8.310 nan 0.000 0.477 379 L N 1.414 122.505 121.223 -0.221 0.000 2.341 379 L HA 0.609 4.951 4.340 0.003 0.000 0.267 379 L C -0.471 176.347 176.870 -0.087 0.000 1.009 379 L CA -1.195 53.544 54.840 -0.168 0.000 0.819 379 L CB 1.111 42.910 42.059 -0.434 0.000 1.323 379 L HN 0.559 nan 8.230 nan 0.000 0.425 380 N N 1.880 120.588 118.700 0.012 0.000 2.415 380 N HA 0.184 4.926 4.740 0.003 0.000 0.246 380 N C -0.783 174.596 175.510 -0.219 0.000 1.078 380 N CA -0.092 52.895 53.050 -0.105 0.000 0.942 380 N CB 0.917 39.439 38.487 0.059 0.000 1.140 380 N HN 0.629 nan 8.380 nan 0.000 0.501 381 E N 1.831 121.849 120.200 -0.303 0.000 2.197 381 E HA 0.359 4.710 4.350 0.003 0.000 0.281 381 E C -0.581 175.734 176.600 -0.475 0.000 0.995 381 E CA -0.303 56.032 56.400 -0.109 0.000 0.808 381 E CB 0.987 30.747 29.700 0.101 0.000 1.093 381 E HN 0.327 nan 8.360 nan 0.000 0.394 382 F N 0.492 120.502 119.950 0.100 0.000 2.594 382 F HA 0.451 4.980 4.527 0.003 0.000 0.335 382 F C 0.573 176.355 175.800 -0.030 0.000 1.058 382 F CA -0.813 57.177 58.000 -0.016 0.000 0.981 382 F CB 1.734 40.673 39.000 -0.103 0.000 1.289 382 F HN 0.342 nan 8.300 nan 0.000 0.490 383 S N 1.462 117.243 115.700 0.135 0.000 2.632 383 S HA 0.897 5.369 4.470 0.003 0.000 0.289 383 S C -1.393 173.207 174.600 -0.000 0.000 1.115 383 S CA -0.723 57.480 58.200 0.005 0.000 0.889 383 S CB 1.914 65.088 63.200 -0.044 0.000 1.116 383 S HN 0.472 nan 8.310 nan 0.000 0.486 384 I N 1.424 121.962 120.570 -0.054 0.000 2.769 384 I HA 0.531 4.703 4.170 0.003 0.000 0.298 384 I C -0.114 175.959 176.117 -0.073 0.000 1.128 384 I CA -0.645 60.617 61.300 -0.065 0.000 1.031 384 I CB 1.719 39.668 38.000 -0.086 0.000 1.235 384 I HN 0.948 nan 8.210 nan 0.000 0.423 385 T N -0.555 113.959 114.554 -0.067 0.000 2.950 385 T HA 0.841 5.193 4.350 0.003 0.000 0.288 385 T C 0.126 174.783 174.700 -0.073 0.000 1.035 385 T CA -0.540 61.521 62.100 -0.064 0.000 1.028 385 T CB 1.913 70.752 68.868 -0.047 0.000 1.109 385 T HN 1.562 nan 8.240 nan 0.000 0.514 386 G N 0.795 109.552 108.800 -0.071 0.000 3.434 386 G HA2 0.131 4.093 3.960 0.003 0.000 0.686 386 G HA3 0.131 4.093 3.960 0.003 0.000 0.686 386 G C -0.036 174.805 174.900 -0.098 0.000 1.099 386 G CA -0.386 44.668 45.100 -0.077 0.000 0.931 386 G HN 1.488 nan 8.290 nan 0.000 0.520 387 S N 0.077 115.721 115.700 -0.094 0.000 2.526 387 S HA 0.625 5.097 4.470 0.003 0.000 0.247 387 S C 0.566 175.072 174.600 -0.155 0.000 1.076 387 S CA 0.451 58.579 58.200 -0.120 0.000 1.105 387 S CB 0.991 64.134 63.200 -0.095 0.000 0.793 387 S HN 1.944 nan 8.310 nan 0.000 0.458 388 T N -0.848 113.603 114.554 -0.172 0.000 2.885 388 T HA 0.443 4.795 4.350 0.003 0.000 0.322 388 T C -0.535 174.059 174.700 -0.178 0.000 1.387 388 T CA -0.581 61.418 62.100 -0.168 0.000 1.041 388 T CB 0.543 69.386 68.868 -0.042 0.000 1.287 388 T HN 0.046 nan 8.240 nan 0.000 0.491 389 Y N 1.767 122.071 120.300 0.007 0.000 2.680 389 Y HA 0.362 4.913 4.550 0.003 0.000 0.303 389 Y C 1.741 177.594 175.900 -0.079 0.000 1.166 389 Y CA 0.484 58.580 58.100 -0.007 0.000 1.344 389 Y CB -0.678 37.812 38.460 0.050 0.000 1.002 389 Y HN 0.746 nan 8.280 nan 0.000 0.537 390 A N 2.026 124.848 122.820 0.003 0.000 2.409 390 A HA 0.234 4.556 4.320 0.003 0.000 0.262 390 A C -1.634 175.781 177.584 -0.282 0.000 1.113 390 A CA -1.326 50.564 52.037 -0.244 0.000 0.790 390 A CB 0.055 19.037 19.000 -0.030 0.000 1.046 390 A HN 0.064 nan 8.150 nan 0.000 0.496 391 P HA 0.049 nan 4.420 nan 0.000 0.258 391 P C -0.508 176.679 177.300 -0.190 0.000 1.559 391 P CA 0.387 63.321 63.100 -0.277 0.000 0.855 391 P CB -0.281 31.228 31.700 -0.318 0.000 1.594 392 E N 0.743 120.849 120.200 -0.157 0.000 2.081 392 E HA 0.569 4.921 4.350 0.003 0.000 0.281 392 E C 0.500 177.052 176.600 -0.080 0.000 0.986 392 E CA -0.466 55.879 56.400 -0.092 0.000 0.796 392 E CB 0.887 30.554 29.700 -0.055 0.000 1.085 392 E HN 0.182 nan 8.360 nan 0.000 0.398 393 G N 2.751 111.509 108.800 -0.071 0.000 2.386 393 G HA2 0.148 4.110 3.960 0.003 0.000 0.302 393 G HA3 0.148 4.110 3.960 0.003 0.000 0.302 393 G C -1.626 173.237 174.900 -0.062 0.000 1.629 393 G CA -0.998 44.062 45.100 -0.065 0.000 0.917 393 G HN 0.474 nan 8.290 nan 0.000 0.676 394 E N 0.141 120.311 120.200 -0.051 0.000 2.187 394 E HA 0.617 4.969 4.350 0.003 0.000 0.268 394 E C -0.497 176.077 176.600 -0.044 0.000 0.896 394 E CA -1.111 55.262 56.400 -0.044 0.000 0.766 394 E CB 2.814 32.498 29.700 -0.026 0.000 1.142 394 E HN 0.801 nan 8.360 nan 0.000 0.408 395 V N 4.899 124.779 119.914 -0.058 0.000 2.583 395 V HA 0.342 4.463 4.120 0.003 0.000 0.287 395 V C -0.841 175.260 176.094 0.012 0.000 1.051 395 V CA -0.249 62.017 62.300 -0.057 0.000 1.010 395 V CB 0.344 32.072 31.823 -0.158 0.000 0.988 395 V HN 0.684 nan 8.190 nan 0.000 0.478 396 L N 6.858 128.129 121.223 0.080 0.000 2.427 396 L HA 0.519 4.861 4.340 0.003 0.000 0.264 396 L C -0.109 176.851 176.870 0.150 0.000 0.989 396 L CA -0.454 54.447 54.840 0.102 0.000 0.865 396 L CB 1.385 43.471 42.059 0.044 0.000 1.209 396 L HN 0.593 nan 8.230 nan 0.000 0.430 397 K N 3.560 124.070 120.400 0.183 0.000 2.349 397 K HA 0.159 4.481 4.320 0.003 0.000 0.288 397 K C 0.082 176.685 176.600 0.006 0.000 1.058 397 K CA -0.117 56.172 56.287 0.003 0.000 0.953 397 K CB 0.378 32.851 32.500 -0.046 0.000 0.997 397 K HN 0.568 nan 8.250 nan 0.000 0.477 398 N N 3.826 122.506 118.700 -0.033 0.000 2.754 398 N HA -0.194 4.548 4.740 0.003 0.000 0.248 398 N C -1.112 174.403 175.510 0.008 0.000 1.093 398 N CA 1.386 54.430 53.050 -0.010 0.000 0.699 398 N CB -0.916 37.570 38.487 -0.001 0.000 1.016 398 N HN 0.861 nan 8.380 nan 0.000 0.552 399 D N -1.849 118.557 120.400 0.010 0.000 3.051 399 D HA -0.182 4.460 4.640 0.003 0.000 0.218 399 D C -0.223 176.088 176.300 0.019 0.000 1.129 399 D CA 1.829 55.836 54.000 0.011 0.000 0.868 399 D CB -0.993 39.811 40.800 0.006 0.000 1.100 399 D HN 0.890 nan 8.370 nan 0.000 0.429 400 K N -2.315 118.105 120.400 0.033 0.000 2.557 400 K HA 0.624 4.946 4.320 0.003 0.000 0.261 400 K C -3.381 173.252 176.600 0.054 0.000 0.932 400 K CA -1.777 54.532 56.287 0.037 0.000 0.829 400 K CB 1.955 34.477 32.500 0.037 0.000 1.358 400 K HN -0.313 nan 8.250 nan 0.000 0.430 401 P HA 0.028 nan 4.420 nan 0.000 0.270 401 P C -0.234 177.107 177.300 0.068 0.000 1.242 401 P CA -0.366 62.761 63.100 0.043 0.000 0.768 401 P CB 0.261 31.975 31.700 0.024 0.000 0.820 402 I N 1.783 122.410 120.570 0.095 0.000 3.062 402 I HA 0.532 4.704 4.170 0.003 0.000 0.316 402 I C -0.424 175.747 176.117 0.090 0.000 1.041 402 I CA -1.530 59.854 61.300 0.141 0.000 1.069 402 I CB 1.552 39.721 38.000 0.282 0.000 1.300 402 I HN 0.185 nan 8.210 nan 0.000 0.518 403 R N 1.709 122.280 120.500 0.119 0.000 2.207 403 R HA 0.317 4.658 4.340 0.003 0.000 0.334 403 R C 1.152 177.495 176.300 0.072 0.000 1.013 403 R CA -0.320 55.817 56.100 0.063 0.000 0.858 403 R CB 1.334 31.665 30.300 0.050 0.000 1.094 403 R HN 0.744 nan 8.270 nan 0.000 0.457 404 S N 1.961 117.625 115.700 -0.061 0.000 2.402 404 S HA -0.163 4.308 4.470 0.003 0.000 0.233 404 S C 1.858 176.436 174.600 -0.037 0.000 1.030 404 S CA 1.684 59.788 58.200 -0.161 0.000 1.003 404 S CB -0.030 63.010 63.200 -0.267 0.000 0.813 404 S HN 0.925 nan 8.310 nan 0.000 0.477 405 G N 0.613 109.389 108.800 -0.039 0.000 2.509 405 G HA2 -0.171 3.791 3.960 0.003 0.000 0.218 405 G HA3 -0.171 3.791 3.960 0.003 0.000 0.218 405 G C 1.185 176.103 174.900 0.030 0.000 1.124 405 G CA 0.214 45.284 45.100 -0.049 0.000 0.776 405 G HN 0.496 nan 8.290 nan 0.000 0.547 406 Q N -0.796 119.069 119.800 0.108 0.000 2.297 406 Q HA -0.017 4.325 4.340 0.003 0.000 0.208 406 Q C -0.165 175.747 176.000 -0.147 0.000 0.981 406 Q CA 0.475 56.279 55.803 0.002 0.000 0.876 406 Q CB -0.035 28.705 28.738 0.004 0.000 0.921 406 Q HN 0.568 nan 8.270 nan 0.000 0.446 407 F N 0.271 120.208 119.950 -0.021 0.000 2.388 407 F HA 0.162 4.691 4.527 0.003 0.000 0.358 407 F C 0.775 176.554 175.800 -0.036 0.000 1.122 407 F CA -0.947 57.057 58.000 0.007 0.000 1.056 407 F CB 1.235 40.266 39.000 0.051 0.000 1.155 407 F HN -0.153 nan 8.300 nan 0.000 0.461 408 D N 2.587 123.051 120.400 0.105 0.000 2.224 408 D HA -0.086 4.556 4.640 0.003 0.000 0.205 408 D C 2.252 178.583 176.300 0.053 0.000 0.965 408 D CA 1.029 55.058 54.000 0.048 0.000 0.852 408 D CB -0.104 40.717 40.800 0.034 0.000 0.947 408 D HN 0.823 nan 8.370 nan 0.000 0.494 409 G N 1.177 110.046 108.800 0.116 0.000 2.440 409 G HA2 -0.203 3.759 3.960 0.003 0.000 0.218 409 G HA3 -0.203 3.759 3.960 0.003 0.000 0.218 409 G C 1.739 176.650 174.900 0.018 0.000 1.154 409 G CA 0.264 45.421 45.100 0.095 0.000 0.767 409 G HN 0.261 nan 8.290 nan 0.000 0.552 410 L N 0.401 121.626 121.223 0.004 0.000 2.291 410 L HA -0.000 4.342 4.340 0.003 0.000 0.214 410 L C 2.828 179.587 176.870 -0.185 0.000 1.120 410 L CA 0.010 54.764 54.840 -0.143 0.000 0.799 410 L CB -0.280 41.602 42.059 -0.294 0.000 0.925 410 L HN 0.077 nan 8.230 nan 0.000 0.446 411 V N 0.094 119.907 119.914 -0.169 0.000 2.358 411 V HA -0.261 3.860 4.120 0.003 0.000 0.246 411 V C 2.458 178.422 176.094 -0.217 0.000 1.047 411 V CA 1.953 64.094 62.300 -0.265 0.000 1.035 411 V CB -0.365 31.295 31.823 -0.272 0.000 0.658 411 V HN 0.493 nan 8.190 nan 0.000 0.452 412 E N 0.220 120.332 120.200 -0.148 0.000 2.072 412 E HA -0.226 4.126 4.350 0.003 0.000 0.191 412 E C 2.232 178.702 176.600 -0.217 0.000 0.985 412 E CA 1.203 57.507 56.400 -0.160 0.000 0.801 412 E CB -0.173 29.477 29.700 -0.084 0.000 0.750 412 E HN 0.525 nan 8.360 nan 0.000 0.452 413 L N 0.267 121.379 121.223 -0.184 0.000 2.129 413 L HA -0.198 4.144 4.340 0.003 0.000 0.212 413 L C 2.225 178.964 176.870 -0.217 0.000 1.087 413 L CA 1.776 56.497 54.840 -0.198 0.000 0.757 413 L CB -0.195 41.760 42.059 -0.172 0.000 0.896 413 L HN 0.261 nan 8.230 nan 0.000 0.434 414 A N -1.529 121.155 122.820 -0.227 0.000 2.030 414 A HA -0.087 4.235 4.320 0.003 0.000 0.215 414 A C 2.304 179.750 177.584 -0.231 0.000 1.164 414 A CA 1.164 53.070 52.037 -0.218 0.000 0.697 414 A CB -0.759 18.105 19.000 -0.228 0.000 0.827 414 A HN 0.570 nan 8.150 nan 0.000 0.457 415 T N -1.379 113.001 114.554 -0.291 0.000 2.857 415 T HA -0.041 4.311 4.350 0.003 0.000 0.266 415 T C 1.845 176.237 174.700 -0.514 0.000 1.048 415 T CA 1.325 63.210 62.100 -0.357 0.000 1.139 415 T CB -0.563 68.065 68.868 -0.400 0.000 0.874 415 T HN 0.306 nan 8.240 nan 0.000 0.455 416 I N 1.049 121.278 120.570 -0.568 0.000 2.163 416 I HA -0.177 3.995 4.170 0.003 0.000 0.243 416 I C 2.923 178.909 176.117 -0.219 0.000 1.085 416 I CA 1.144 62.179 61.300 -0.442 0.000 1.347 416 I CB -0.693 37.136 38.000 -0.285 0.000 1.044 416 I HN 0.372 nan 8.210 nan 0.000 0.408 417 C N 0.761 119.948 119.300 -0.188 0.000 2.411 417 C HA -0.146 4.315 4.460 0.003 0.000 0.279 417 C C 3.109 178.042 174.990 -0.095 0.000 1.288 417 C CA 1.093 60.038 59.018 -0.122 0.000 1.764 417 C CB -1.240 26.427 27.740 -0.121 0.000 1.974 417 C HN 0.616 nan 8.230 nan 0.000 0.498 418 A N -0.656 122.096 122.820 -0.114 0.000 1.935 418 A HA 0.145 4.467 4.320 0.003 0.000 0.214 418 A C 2.025 179.583 177.584 -0.042 0.000 1.178 418 A CA 1.017 53.012 52.037 -0.071 0.000 0.640 418 A CB -0.269 18.690 19.000 -0.069 0.000 0.825 418 A HN 0.569 nan 8.150 nan 0.000 0.447 419 L N -1.677 119.512 121.223 -0.057 0.000 2.316 419 L HA 0.087 4.429 4.340 0.003 0.000 0.207 419 L C 1.227 178.129 176.870 0.054 0.000 1.070 419 L CA 0.091 54.940 54.840 0.015 0.000 0.820 419 L CB 0.102 42.197 42.059 0.060 0.000 0.992 419 L HN 0.386 nan 8.230 nan 0.000 0.466 420 C N 2.211 121.536 119.300 0.042 0.000 2.756 420 C HA 0.286 4.748 4.460 0.003 0.000 0.504 420 C C 0.233 175.237 174.990 0.023 0.000 1.028 420 C CA -0.159 58.891 59.018 0.054 0.000 1.167 420 C CB -2.426 25.354 27.740 0.067 0.000 1.444 420 C HN 0.400 nan 8.230 nan 0.000 0.577 421 N N 1.355 120.068 118.700 0.023 0.000 2.431 421 N HA 0.210 4.952 4.740 0.003 0.000 0.275 421 N C -0.557 174.964 175.510 0.020 0.000 1.091 421 N CA -0.420 52.637 53.050 0.012 0.000 0.922 421 N CB 1.276 39.761 38.487 -0.003 0.000 1.666 421 N HN 0.298 nan 8.380 nan 0.000 0.484 422 D N 0.337 120.747 120.400 0.018 0.000 2.449 422 D HA 0.076 4.718 4.640 0.003 0.000 0.210 422 D C 0.650 176.957 176.300 0.013 0.000 1.094 422 D CA 0.546 54.560 54.000 0.023 0.000 0.846 422 D CB 0.638 41.457 40.800 0.031 0.000 1.003 422 D HN 0.536 nan 8.370 nan 0.000 0.504 423 S N -0.855 114.846 115.700 0.002 0.000 2.623 423 S HA 0.742 5.214 4.470 0.003 0.000 0.287 423 S C 0.185 174.780 174.600 -0.009 0.000 1.123 423 S CA -0.391 57.803 58.200 -0.011 0.000 1.016 423 S CB 2.484 65.669 63.200 -0.025 0.000 1.233 423 S HN 0.002 nan 8.310 nan 0.000 0.512 424 S N -1.444 114.243 115.700 -0.022 0.000 2.688 424 S HA 0.531 5.003 4.470 0.003 0.000 0.266 424 S C -2.577 172.011 174.600 -0.020 0.000 1.061 424 S CA -0.747 57.447 58.200 -0.010 0.000 0.844 424 S CB 0.512 63.713 63.200 0.002 0.000 1.103 424 S HN 1.093 nan 8.310 nan 0.000 0.471 425 L N 2.500 123.732 121.223 0.014 0.000 2.410 425 L HA 0.804 5.146 4.340 0.003 0.000 0.270 425 L C -1.380 175.552 176.870 0.103 0.000 0.983 425 L CA 0.033 54.901 54.840 0.046 0.000 0.822 425 L CB 1.850 43.948 42.059 0.065 0.000 1.285 425 L HN 0.869 nan 8.230 nan 0.000 0.409 426 D N 2.815 123.289 120.400 0.123 0.000 2.649 426 D HA 0.339 4.981 4.640 0.003 0.000 0.249 426 D C -1.603 174.815 176.300 0.197 0.000 1.112 426 D CA -0.291 53.785 54.000 0.128 0.000 0.850 426 D CB 1.276 42.101 40.800 0.041 0.000 1.399 426 D HN 0.269 nan 8.370 nan 0.000 0.503 427 F N 4.250 124.198 119.950 -0.004 0.000 2.391 427 F HA 0.400 4.929 4.527 0.003 0.000 0.359 427 F C -0.439 175.271 175.800 -0.150 0.000 1.122 427 F CA -0.924 56.961 58.000 -0.191 0.000 1.120 427 F CB 0.682 39.480 39.000 -0.336 0.000 1.142 427 F HN 0.272 nan 8.300 nan 0.000 0.483 428 N N 5.250 123.505 118.700 -0.742 0.000 2.426 428 N HA 0.110 4.851 4.740 0.003 0.000 0.257 428 N C 0.336 175.332 175.510 -0.857 0.000 1.002 428 N CA -0.003 52.693 53.050 -0.590 0.000 0.942 428 N CB 0.891 39.187 38.487 -0.318 0.000 1.112 428 N HN 0.788 nan 8.380 nan 0.000 0.499 429 E N 1.420 121.248 120.200 -0.619 0.000 2.230 429 E HA -0.036 4.315 4.350 0.003 0.000 0.192 429 E C 0.906 177.347 176.600 -0.264 0.000 0.987 429 E CA 0.916 57.032 56.400 -0.473 0.000 0.841 429 E CB 0.300 29.855 29.700 -0.241 0.000 0.783 429 E HN 0.617 nan 8.360 nan 0.000 0.481 430 T N 1.219 115.648 114.554 -0.209 0.000 2.746 430 T HA -0.117 4.234 4.350 0.003 0.000 0.267 430 T C 1.607 176.233 174.700 -0.123 0.000 1.039 430 T CA 1.220 63.240 62.100 -0.132 0.000 1.142 430 T CB -0.037 68.769 68.868 -0.103 0.000 0.866 430 T HN 0.027 nan 8.240 nan 0.000 0.444 431 K N -0.073 120.231 120.400 -0.161 0.000 2.379 431 K HA 0.298 4.620 4.320 0.003 0.000 0.194 431 K C 1.521 178.046 176.600 -0.125 0.000 1.031 431 K CA 0.418 56.634 56.287 -0.118 0.000 1.037 431 K CB 0.319 32.758 32.500 -0.102 0.000 0.824 431 K HN 0.347 nan 8.250 nan 0.000 0.516 432 G N 1.123 109.788 108.800 -0.225 0.000 2.168 432 G HA2 -0.253 3.709 3.960 0.003 0.000 0.263 432 G HA3 -0.253 3.709 3.960 0.003 0.000 0.263 432 G C -0.062 174.798 174.900 -0.067 0.000 0.977 432 G CA 0.452 45.462 45.100 -0.150 0.000 0.659 432 G HN 0.224 nan 8.290 nan 0.000 0.533 433 V N -0.420 119.362 119.914 -0.219 0.000 3.001 433 V HA 0.754 4.876 4.120 0.003 0.000 0.314 433 V C -0.457 175.636 176.094 -0.002 0.000 1.099 433 V CA -1.548 60.770 62.300 0.029 0.000 0.989 433 V CB 1.624 33.483 31.823 0.060 0.000 1.040 433 V HN 0.230 nan 8.190 nan 0.000 0.434 434 Y N 3.061 123.544 120.300 0.306 0.000 2.335 434 Y HA 0.472 5.024 4.550 0.003 0.000 0.331 434 Y C 0.662 176.655 175.900 0.155 0.000 1.094 434 Y CA 0.147 58.413 58.100 0.278 0.000 1.253 434 Y CB 0.711 39.325 38.460 0.256 0.000 1.203 434 Y HN 0.565 nan 8.280 nan 0.000 0.508 435 E N 2.112 122.432 120.200 0.201 0.000 2.320 435 E HA 0.389 4.741 4.350 0.003 0.000 0.264 435 E C -1.123 175.424 176.600 -0.088 0.000 0.923 435 E CA -1.502 54.928 56.400 0.049 0.000 0.796 435 E CB 1.881 31.581 29.700 -0.000 0.000 1.262 435 E HN 0.453 nan 8.360 nan 0.000 0.428 436 K N -0.768 119.457 120.400 -0.291 0.000 2.110 436 K HA 0.515 4.837 4.320 0.003 0.000 0.263 436 K C -0.703 175.772 176.600 -0.207 0.000 0.975 436 K CA -0.854 55.172 56.287 -0.435 0.000 0.895 436 K CB 1.665 33.618 32.500 -0.912 0.000 1.060 436 K HN 0.247 nan 8.250 nan 0.000 0.448 437 V N 0.569 120.395 119.914 -0.146 0.000 2.376 437 V HA 0.839 4.960 4.120 0.003 0.000 0.287 437 V C 0.113 176.167 176.094 -0.067 0.000 1.015 437 V CA 0.784 63.037 62.300 -0.079 0.000 0.834 437 V CB -0.080 31.720 31.823 -0.039 0.000 1.001 437 V HN 1.308 nan 8.190 nan 0.000 0.428 438 G N 4.608 113.375 108.800 -0.054 0.000 2.447 438 G HA2 -0.097 3.865 3.960 0.003 0.000 0.220 438 G HA3 -0.097 3.865 3.960 0.003 0.000 0.220 438 G C -0.554 174.321 174.900 -0.043 0.000 1.261 438 G CA -0.157 44.922 45.100 -0.036 0.000 1.000 438 G HN 1.009 nan 8.290 nan 0.000 0.515 439 E N 0.286 120.470 120.200 -0.027 0.000 2.366 439 E HA 0.472 4.823 4.350 0.003 0.000 0.266 439 E C 1.565 178.160 176.600 -0.009 0.000 1.051 439 E CA 0.054 56.444 56.400 -0.016 0.000 0.884 439 E CB 1.360 31.051 29.700 -0.014 0.000 1.006 439 E HN 0.918 nan 8.360 nan 0.000 0.417 440 A N 2.150 124.988 122.820 0.030 0.000 1.908 440 A HA -0.201 4.121 4.320 0.003 0.000 0.218 440 A C 2.135 179.797 177.584 0.131 0.000 1.181 440 A CA 2.266 54.379 52.037 0.127 0.000 0.627 440 A CB -0.956 18.151 19.000 0.179 0.000 0.818 440 A HN 0.757 nan 8.150 nan 0.000 0.445 441 T N -2.591 111.997 114.554 0.057 0.000 3.072 441 T HA -0.012 4.340 4.350 0.003 0.000 0.266 441 T C 1.405 176.117 174.700 0.019 0.000 1.127 441 T CA 1.301 63.419 62.100 0.031 0.000 1.107 441 T CB -0.115 68.749 68.868 -0.007 0.000 0.910 441 T HN 0.596 nan 8.240 nan 0.000 0.513 442 E N 0.901 121.110 120.200 0.014 0.000 2.127 442 E HA 0.000 4.352 4.350 0.003 0.000 0.191 442 E C 2.256 178.864 176.600 0.013 0.000 0.964 442 E CA 1.002 57.404 56.400 0.002 0.000 0.832 442 E CB -0.167 29.527 29.700 -0.010 0.000 0.790 442 E HN 0.493 nan 8.360 nan 0.000 0.465 443 T N 1.633 116.199 114.554 0.020 0.000 2.867 443 T HA -0.096 4.256 4.350 0.003 0.000 0.268 443 T C 2.029 176.814 174.700 0.141 0.000 1.057 443 T CA 1.005 63.120 62.100 0.026 0.000 1.136 443 T CB -0.165 68.617 68.868 -0.142 0.000 0.874 443 T HN 0.196 nan 8.240 nan 0.000 0.466 444 A N 1.551 124.480 122.820 0.182 0.000 1.958 444 A HA -0.104 4.218 4.320 0.003 0.000 0.221 444 A C 2.249 179.852 177.584 0.032 0.000 1.178 444 A CA 1.428 53.531 52.037 0.111 0.000 0.642 444 A CB -0.830 18.203 19.000 0.055 0.000 0.816 444 A HN 0.519 nan 8.150 nan 0.000 0.453 445 L N -1.521 119.709 121.223 0.012 0.000 2.131 445 L HA -0.089 4.253 4.340 0.003 0.000 0.206 445 L C 2.741 179.595 176.870 -0.026 0.000 1.087 445 L CA 1.463 56.289 54.840 -0.024 0.000 0.767 445 L CB -0.984 41.056 42.059 -0.031 0.000 0.917 445 L HN 0.320 nan 8.230 nan 0.000 0.441 446 T N -0.652 113.899 114.554 -0.006 0.000 2.684 446 T HA -0.187 4.165 4.350 0.003 0.000 0.267 446 T C 1.911 176.600 174.700 -0.018 0.000 1.036 446 T CA 2.114 64.208 62.100 -0.011 0.000 1.148 446 T CB -0.271 68.597 68.868 -0.001 0.000 0.863 446 T HN 0.328 nan 8.240 nan 0.000 0.436 447 T N 2.308 116.867 114.554 0.007 0.000 2.821 447 T HA -0.012 4.339 4.350 0.003 0.000 0.267 447 T C 1.862 176.527 174.700 -0.057 0.000 1.046 447 T CA 0.670 62.759 62.100 -0.019 0.000 1.139 447 T CB -0.464 68.424 68.868 0.033 0.000 0.871 447 T HN 0.094 nan 8.240 nan 0.000 0.454 448 L N 2.191 123.381 121.223 -0.055 0.000 1.944 448 L HA -0.109 4.233 4.340 0.003 0.000 0.218 448 L C 2.672 179.482 176.870 -0.099 0.000 1.075 448 L CA 1.981 56.770 54.840 -0.084 0.000 0.767 448 L CB -1.122 40.885 42.059 -0.087 0.000 0.890 448 L HN 0.232 nan 8.230 nan 0.000 0.434 449 V N -1.264 118.593 119.914 -0.094 0.000 2.660 449 V HA -0.225 3.897 4.120 0.003 0.000 0.257 449 V C 2.344 178.383 176.094 -0.092 0.000 1.088 449 V CA 1.978 64.216 62.300 -0.104 0.000 1.106 449 V CB -0.654 31.112 31.823 -0.095 0.000 0.686 449 V HN 0.601 nan 8.190 nan 0.000 0.481 450 E N 1.009 121.160 120.200 -0.082 0.000 2.046 450 E HA -0.123 4.229 4.350 0.003 0.000 0.190 450 E C 2.227 178.770 176.600 -0.095 0.000 0.982 450 E CA 1.685 58.035 56.400 -0.083 0.000 0.800 450 E CB -0.348 29.293 29.700 -0.098 0.000 0.756 450 E HN 0.728 nan 8.360 nan 0.000 0.449 451 K N 0.279 120.617 120.400 -0.104 0.000 2.032 451 K HA -0.087 4.235 4.320 0.003 0.000 0.209 451 K C 2.359 178.895 176.600 -0.106 0.000 1.048 451 K CA 1.367 57.592 56.287 -0.103 0.000 0.927 451 K CB -0.200 32.237 32.500 -0.104 0.000 0.712 451 K HN 0.076 nan 8.250 nan 0.000 0.441 452 M N 0.561 120.087 119.600 -0.124 0.000 2.065 452 M HA -0.180 4.302 4.480 0.003 0.000 0.259 452 M C 0.487 176.707 176.300 -0.134 0.000 1.071 452 M CA 1.030 56.239 55.300 -0.152 0.000 1.109 452 M CB -0.411 32.077 32.600 -0.186 0.000 1.313 452 M HN 0.203 nan 8.290 nan 0.000 0.408 453 N N 0.366 118.995 118.700 -0.118 0.000 2.681 453 N HA -0.123 4.618 4.740 0.003 0.000 0.259 453 N C 0.387 175.820 175.510 -0.128 0.000 1.066 453 N CA 0.590 53.587 53.050 -0.088 0.000 0.717 453 N CB -0.802 37.655 38.487 -0.051 0.000 0.885 453 N HN 0.370 nan 8.380 nan 0.000 0.547 454 V N -2.080 117.685 119.914 -0.248 0.000 2.568 454 V HA -0.108 4.014 4.120 0.003 0.000 0.253 454 V C 1.706 177.542 176.094 -0.429 0.000 1.072 454 V CA 1.728 63.788 62.300 -0.400 0.000 1.084 454 V CB -0.737 30.733 31.823 -0.588 0.000 0.676 454 V HN 0.265 nan 8.190 nan 0.000 0.469 455 F N 1.029 120.960 119.950 -0.031 0.000 2.727 455 F HA 0.443 4.972 4.527 0.003 0.000 0.302 455 F C 1.225 177.014 175.800 -0.018 0.000 1.097 455 F CA -0.656 57.331 58.000 -0.022 0.000 1.330 455 F CB -0.829 38.157 39.000 -0.023 0.000 1.084 455 F HN 0.220 nan 8.300 nan 0.000 0.578 456 N N 0.583 119.338 118.700 0.092 0.000 2.721 456 N HA -0.182 4.559 4.740 0.003 0.000 0.249 456 N C -0.095 175.455 175.510 0.065 0.000 1.072 456 N CA 1.039 54.122 53.050 0.055 0.000 0.710 456 N CB -1.863 36.650 38.487 0.043 0.000 0.993 456 N HN 0.134 nan 8.380 nan 0.000 0.547 457 T N 1.157 115.761 114.554 0.084 0.000 2.946 457 T HA -0.077 4.275 4.350 0.003 0.000 0.312 457 T C 0.741 175.458 174.700 0.029 0.000 1.066 457 T CA 0.185 62.321 62.100 0.059 0.000 1.138 457 T CB 0.901 69.809 68.868 0.066 0.000 1.014 457 T HN 0.008 nan 8.240 nan 0.000 0.544 458 E N 2.308 122.520 120.200 0.020 0.000 2.217 458 E HA 0.172 4.523 4.350 0.003 0.000 0.279 458 E C 0.793 177.396 176.600 0.005 0.000 1.068 458 E CA -0.031 56.375 56.400 0.010 0.000 0.882 458 E CB 0.930 30.634 29.700 0.008 0.000 1.039 458 E HN 0.550 nan 8.360 nan 0.000 0.418 459 V N 1.659 121.573 119.914 -0.000 0.000 3.451 459 V HA 0.216 4.338 4.120 0.003 0.000 0.288 459 V C 1.343 177.431 176.094 -0.011 0.000 1.502 459 V CA -0.204 62.092 62.300 -0.006 0.000 1.026 459 V CB 0.248 32.063 31.823 -0.014 0.000 0.840 459 V HN 0.288 nan 8.190 nan 0.000 0.437 460 R N 1.481 121.976 120.500 -0.008 0.000 2.236 460 R HA 0.221 4.563 4.340 0.003 0.000 0.208 460 R C 1.098 177.394 176.300 -0.007 0.000 1.036 460 R CA 0.920 57.014 56.100 -0.009 0.000 1.001 460 R CB -0.257 30.039 30.300 -0.006 0.000 0.896 460 R HN 0.488 nan 8.270 nan 0.000 0.464 461 N N -0.089 118.609 118.700 -0.005 0.000 2.275 461 N HA 0.155 4.897 4.740 0.003 0.000 0.236 461 N C -0.836 174.672 175.510 -0.003 0.000 1.154 461 N CA 0.089 53.137 53.050 -0.003 0.000 0.866 461 N CB 0.661 39.148 38.487 -0.000 0.000 1.093 461 N HN 0.092 nan 8.380 nan 0.000 0.515 462 L N 0.812 122.031 121.223 -0.007 0.000 2.309 462 L HA 0.383 4.725 4.340 0.003 0.000 0.282 462 L C 0.748 177.609 176.870 -0.016 0.000 1.036 462 L CA -0.805 54.031 54.840 -0.006 0.000 0.806 462 L CB 1.377 43.433 42.059 -0.005 0.000 1.220 462 L HN 0.035 nan 8.230 nan 0.000 0.429 463 S N 1.331 117.025 115.700 -0.010 0.000 2.566 463 S HA 0.042 4.514 4.470 0.003 0.000 0.280 463 S C 0.900 175.457 174.600 -0.072 0.000 1.343 463 S CA -0.483 57.705 58.200 -0.020 0.000 1.036 463 S CB 0.761 63.968 63.200 0.012 0.000 0.866 463 S HN 0.638 nan 8.310 nan 0.000 0.526 464 K N 0.642 120.937 120.400 -0.175 0.000 2.218 464 K HA -0.109 4.213 4.320 0.003 0.000 0.205 464 K C 1.767 178.086 176.600 -0.468 0.000 1.046 464 K CA 1.389 57.375 56.287 -0.501 0.000 0.933 464 K CB -0.558 31.299 32.500 -1.072 0.000 0.728 464 K HN 0.544 nan 8.250 nan 0.000 0.454 465 V N 1.073 120.939 119.914 -0.080 0.000 2.407 465 V HA -0.180 3.942 4.120 0.003 0.000 0.245 465 V C 1.818 177.974 176.094 0.103 0.000 1.041 465 V CA 1.618 64.005 62.300 0.146 0.000 1.040 465 V CB -0.310 31.627 31.823 0.189 0.000 0.671 465 V HN 0.316 nan 8.190 nan 0.000 0.455 466 E N 0.085 120.317 120.200 0.054 0.000 2.152 466 E HA -0.198 4.153 4.350 0.003 0.000 0.192 466 E C 2.333 178.959 176.600 0.043 0.000 0.983 466 E CA 0.682 57.110 56.400 0.046 0.000 0.818 466 E CB -0.164 29.553 29.700 0.027 0.000 0.758 466 E HN 0.277 nan 8.360 nan 0.000 0.467 467 R N 1.659 122.177 120.500 0.030 0.000 2.117 467 R HA -0.159 4.183 4.340 0.003 0.000 0.243 467 R C 2.034 178.363 176.300 0.048 0.000 1.143 467 R CA 1.665 57.779 56.100 0.023 0.000 0.968 467 R CB -0.812 29.493 30.300 0.007 0.000 0.863 467 R HN 0.176 nan 8.270 nan 0.000 0.444 468 A N 0.103 123.014 122.820 0.151 0.000 1.917 468 A HA -0.168 4.154 4.320 0.003 0.000 0.219 468 A C 1.539 179.166 177.584 0.073 0.000 1.182 468 A CA 2.028 54.180 52.037 0.193 0.000 0.633 468 A CB -0.336 18.869 19.000 0.340 0.000 0.819 468 A HN 0.506 nan 8.150 nan 0.000 0.448 469 N N -1.574 117.163 118.700 0.062 0.000 2.197 469 N HA 0.312 5.054 4.740 0.003 0.000 0.228 469 N C 1.338 176.862 175.510 0.023 0.000 1.212 469 N CA 0.697 53.769 53.050 0.036 0.000 0.883 469 N CB 0.526 39.039 38.487 0.043 0.000 1.107 469 N HN 0.407 nan 8.380 nan 0.000 0.519 470 A N 0.409 123.239 122.820 0.018 0.000 1.892 470 A HA -0.181 4.141 4.320 0.003 0.000 0.218 470 A C 2.317 179.912 177.584 0.020 0.000 1.188 470 A CA 1.385 53.431 52.037 0.016 0.000 0.631 470 A CB -0.770 18.236 19.000 0.009 0.000 0.822 470 A HN 0.421 nan 8.150 nan 0.000 0.447 471 C N -0.509 118.798 119.300 0.011 0.000 2.468 471 C HA 0.026 4.487 4.460 0.003 0.000 0.277 471 C C 2.564 177.573 174.990 0.031 0.000 1.400 471 C CA 0.596 59.629 59.018 0.025 0.000 1.770 471 C CB -1.446 26.291 27.740 -0.005 0.000 1.905 471 C HN 0.611 nan 8.230 nan 0.000 0.519 472 N N 1.103 119.811 118.700 0.013 0.000 2.216 472 N HA -0.073 4.668 4.740 0.003 0.000 0.183 472 N C 1.830 177.355 175.510 0.025 0.000 1.017 472 N CA 1.195 54.251 53.050 0.011 0.000 0.861 472 N CB -0.148 38.340 38.487 0.002 0.000 0.986 472 N HN 0.441 nan 8.380 nan 0.000 0.428 473 S N 0.821 116.536 115.700 0.026 0.000 2.382 473 S HA -0.056 4.416 4.470 0.003 0.000 0.228 473 S C 2.313 176.928 174.600 0.025 0.000 1.027 473 S CA 0.626 58.840 58.200 0.024 0.000 0.991 473 S CB -0.340 62.872 63.200 0.020 0.000 0.823 473 S HN 0.070 nan 8.310 nan 0.000 0.469 474 V N 2.153 122.091 119.914 0.039 0.000 2.324 474 V HA -0.210 3.912 4.120 0.003 0.000 0.250 474 V C 1.997 178.121 176.094 0.050 0.000 1.060 474 V CA 1.708 64.031 62.300 0.039 0.000 1.042 474 V CB -0.704 31.186 31.823 0.112 0.000 0.650 474 V HN 0.474 nan 8.190 nan 0.000 0.450 475 I N -0.930 119.698 120.570 0.097 0.000 2.617 475 I HA -0.096 4.076 4.170 0.003 0.000 0.256 475 I C 2.572 178.722 176.117 0.054 0.000 1.167 475 I CA 0.977 62.342 61.300 0.108 0.000 1.469 475 I CB -0.317 37.729 38.000 0.078 0.000 1.098 475 I HN 0.172 nan 8.210 nan 0.000 0.436 476 R N 0.418 120.940 120.500 0.037 0.000 2.193 476 R HA -0.066 4.276 4.340 0.003 0.000 0.213 476 R C 1.929 178.244 176.300 0.024 0.000 1.055 476 R CA 0.635 56.755 56.100 0.033 0.000 0.995 476 R CB -0.055 30.262 30.300 0.028 0.000 0.893 476 R HN 0.344 nan 8.270 nan 0.000 0.459 477 Q N 0.394 120.198 119.800 0.007 0.000 2.378 477 Q HA -0.047 4.294 4.340 0.003 0.000 0.205 477 Q C 1.861 177.850 176.000 -0.018 0.000 0.954 477 Q CA 0.751 56.548 55.803 -0.011 0.000 0.901 477 Q CB -0.063 28.656 28.738 -0.032 0.000 0.981 477 Q HN 0.250 nan 8.270 nan 0.000 0.483 478 L N -0.928 120.290 121.223 -0.009 0.000 2.084 478 L HA 0.102 4.444 4.340 0.003 0.000 0.202 478 L C 0.541 177.432 176.870 0.035 0.000 1.074 478 L CA 1.094 55.930 54.840 -0.006 0.000 0.757 478 L CB 0.316 42.388 42.059 0.020 0.000 0.918 478 L HN 0.067 nan 8.230 nan 0.000 0.444 479 M N 0.330 119.970 119.600 0.066 0.000 2.326 479 M HA 0.263 4.745 4.480 0.003 0.000 0.306 479 M C -0.791 175.555 176.300 0.076 0.000 1.054 479 M CA -0.381 54.974 55.300 0.092 0.000 0.922 479 M CB 1.691 34.405 32.600 0.190 0.000 1.632 479 M HN -0.043 nan 8.290 nan 0.000 0.436 480 K N 3.260 123.695 120.400 0.059 0.000 2.268 480 K HA 0.230 4.551 4.320 0.003 0.000 0.276 480 K C -0.229 176.402 176.600 0.052 0.000 1.080 480 K CA -0.369 55.948 56.287 0.051 0.000 0.910 480 K CB 0.889 33.415 32.500 0.044 0.000 1.163 480 K HN 0.569 nan 8.250 nan 0.000 0.465 481 K N 3.641 124.072 120.400 0.052 0.000 2.419 481 K HA -0.092 4.230 4.320 0.003 0.000 0.282 481 K C 0.146 176.769 176.600 0.037 0.000 1.056 481 K CA 0.232 56.539 56.287 0.034 0.000 1.035 481 K CB 0.686 33.209 32.500 0.038 0.000 0.921 481 K HN 0.694 nan 8.250 nan 0.000 0.472 482 E N 3.731 123.947 120.200 0.026 0.000 2.022 482 E HA 0.037 4.389 4.350 0.003 0.000 0.193 482 E C -0.050 176.645 176.600 0.159 0.000 0.969 482 E CA 1.169 57.628 56.400 0.099 0.000 0.834 482 E CB 0.035 29.833 29.700 0.164 0.000 0.798 482 E HN 0.533 nan 8.360 nan 0.000 0.467 483 F N -1.546 118.418 119.950 0.023 0.000 2.639 483 F HA 0.695 5.224 4.527 0.003 0.000 0.339 483 F C -0.138 175.678 175.800 0.027 0.000 1.071 483 F CA -1.040 56.964 58.000 0.007 0.000 0.994 483 F CB 0.908 39.882 39.000 -0.042 0.000 1.341 483 F HN -0.113 nan 8.300 nan 0.000 0.498 484 T N 0.698 115.339 114.554 0.144 0.000 2.916 484 T HA 0.617 4.969 4.350 0.003 0.000 0.292 484 T C -1.407 173.345 174.700 0.088 0.000 1.055 484 T CA -0.817 61.298 62.100 0.026 0.000 1.009 484 T CB 1.272 70.164 68.868 0.040 0.000 1.118 484 T HN 0.755 nan 8.240 nan 0.000 0.497 485 L N 4.575 125.759 121.223 -0.065 0.000 2.387 485 L HA 0.360 4.702 4.340 0.003 0.000 0.259 485 L C 0.845 177.661 176.870 -0.090 0.000 1.050 485 L CA -0.872 53.770 54.840 -0.329 0.000 0.922 485 L CB 0.864 42.557 42.059 -0.610 0.000 1.280 485 L HN 0.808 nan 8.230 nan 0.000 0.449 486 E N 2.476 122.767 120.200 0.151 0.000 2.436 486 E HA -0.104 4.247 4.350 0.003 0.000 0.262 486 E C -0.341 176.440 176.600 0.301 0.000 1.063 486 E CA -0.337 56.205 56.400 0.238 0.000 0.944 486 E CB 1.008 30.860 29.700 0.253 0.000 0.950 486 E HN 0.260 nan 8.360 nan 0.000 0.444 487 F N 2.100 122.133 119.950 0.138 0.000 2.628 487 F HA 0.048 4.576 4.527 0.003 0.000 0.362 487 F C 0.191 176.082 175.800 0.151 0.000 1.148 487 F CA 1.220 59.297 58.000 0.129 0.000 1.352 487 F CB 0.486 39.542 39.000 0.092 0.000 1.081 487 F HN 0.573 nan 8.300 nan 0.000 0.605 488 S N 5.109 120.315 115.700 -0.824 0.000 2.537 488 S HA 0.416 4.888 4.470 0.003 0.000 0.270 488 S C 0.173 174.279 174.600 -0.824 0.000 1.142 488 S CA -1.073 56.768 58.200 -0.598 0.000 0.870 488 S CB 1.880 64.968 63.200 -0.187 0.000 1.112 488 S HN 0.823 nan 8.310 nan 0.000 0.466 489 R N 0.927 121.154 120.500 -0.455 0.000 2.189 489 R HA -0.064 4.278 4.340 0.003 0.000 0.223 489 R C 1.586 177.783 176.300 -0.173 0.000 1.092 489 R CA 1.967 57.910 56.100 -0.261 0.000 0.989 489 R CB -0.301 29.962 30.300 -0.063 0.000 0.876 489 R HN 0.880 nan 8.270 nan 0.000 0.457 490 D N 0.830 121.133 120.400 -0.163 0.000 2.078 490 D HA -0.245 4.397 4.640 0.003 0.000 0.193 490 D C 1.657 177.908 176.300 -0.082 0.000 0.990 490 D CA 1.307 55.248 54.000 -0.099 0.000 0.827 490 D CB -0.331 40.418 40.800 -0.085 0.000 0.975 490 D HN 0.356 nan 8.370 nan 0.000 0.451 491 R N 0.766 121.205 120.500 -0.102 0.000 2.189 491 R HA 0.081 4.422 4.340 0.003 0.000 0.203 491 R C 0.508 176.799 176.300 -0.015 0.000 1.012 491 R CA -0.026 56.048 56.100 -0.043 0.000 1.015 491 R CB -0.193 30.098 30.300 -0.015 0.000 0.938 491 R HN -0.071 nan 8.270 nan 0.000 0.472 492 K N 1.560 121.898 120.400 -0.102 0.000 3.162 492 K HA -0.148 4.174 4.320 0.003 0.000 0.268 492 K C -1.129 175.678 176.600 0.344 0.000 1.062 492 K CA 0.745 57.111 56.287 0.131 0.000 0.769 492 K CB -1.475 31.158 32.500 0.223 0.000 1.274 492 K HN 0.685 nan 8.250 nan 0.000 0.478 493 S N -1.265 114.598 115.700 0.272 0.000 2.567 493 S HA 0.739 5.211 4.470 0.003 0.000 0.270 493 S C -0.471 174.317 174.600 0.313 0.000 1.152 493 S CA -1.291 57.106 58.200 0.328 0.000 0.835 493 S CB 1.984 65.288 63.200 0.174 0.000 1.115 493 S HN 0.343 nan 8.310 nan 0.000 0.459 494 M N 0.353 120.113 119.600 0.268 0.000 2.777 494 M HA 0.925 5.407 4.480 0.003 0.000 0.307 494 M C -0.537 175.821 176.300 0.098 0.000 1.228 494 M CA -0.644 54.764 55.300 0.180 0.000 0.871 494 M CB 2.088 34.803 32.600 0.191 0.000 1.721 494 M HN 0.994 nan 8.290 nan 0.000 0.487 495 S N 0.009 115.731 115.700 0.037 0.000 2.607 495 S HA 0.848 5.320 4.470 0.003 0.000 0.273 495 S C -1.381 173.192 174.600 -0.046 0.000 1.148 495 S CA -0.749 57.455 58.200 0.007 0.000 0.833 495 S CB 1.974 65.168 63.200 -0.010 0.000 1.130 495 S HN 0.704 nan 8.310 nan 0.000 0.470 496 V N 1.673 121.549 119.914 -0.063 0.000 2.769 496 V HA 0.512 4.634 4.120 0.003 0.000 0.312 496 V C -1.588 174.323 176.094 -0.305 0.000 1.061 496 V CA -0.726 61.491 62.300 -0.139 0.000 0.931 496 V CB 1.877 33.693 31.823 -0.011 0.000 1.010 496 V HN 0.924 nan 8.190 nan 0.000 0.433 497 Y N 3.187 123.088 120.300 -0.665 0.000 2.367 497 Y HA 0.561 5.113 4.550 0.003 0.000 0.342 497 Y C -0.028 175.594 175.900 -0.463 0.000 0.979 497 Y CA -0.307 57.360 58.100 -0.722 0.000 1.161 497 Y CB 0.996 38.672 38.460 -1.307 0.000 1.155 497 Y HN 0.676 nan 8.280 nan 0.000 0.503 498 C N 3.640 122.707 119.300 -0.388 0.000 2.561 498 C HA 0.759 5.221 4.460 0.003 0.000 0.319 498 C C -0.513 174.387 174.990 -0.150 0.000 1.198 498 C CA -0.964 57.942 59.018 -0.188 0.000 1.665 498 C CB 0.916 28.568 27.740 -0.147 0.000 2.258 498 C HN 0.872 nan 8.230 nan 0.000 0.493 499 S N 1.917 117.608 115.700 -0.014 0.000 2.513 499 S HA 0.695 5.167 4.470 0.003 0.000 0.299 499 S C -3.100 171.510 174.600 0.017 0.000 1.087 499 S CA -1.323 56.881 58.200 0.007 0.000 1.012 499 S CB 1.493 64.730 63.200 0.061 0.000 1.044 499 S HN 0.609 nan 8.310 nan 0.000 0.485 500 P HA 0.166 nan 4.420 nan 0.000 0.262 500 P C -0.348 176.964 177.300 0.020 0.000 1.199 500 P CA 0.222 63.335 63.100 0.021 0.000 0.763 500 P CB 0.037 31.745 31.700 0.013 0.000 0.790 501 A N 5.026 127.858 122.820 0.021 0.000 2.450 501 A HA 0.304 4.626 4.320 0.003 0.000 0.255 501 A C 1.194 178.780 177.584 0.004 0.000 1.096 501 A CA 0.300 52.346 52.037 0.015 0.000 0.778 501 A CB -0.352 18.656 19.000 0.013 0.000 1.031 501 A HN 0.806 nan 8.150 nan 0.000 0.494 502 K N 0.568 120.971 120.400 0.005 0.000 3.534 502 K HA -0.119 4.203 4.320 0.003 0.000 0.264 502 K C 0.021 176.622 176.600 0.002 0.000 1.227 502 K CA 1.131 57.418 56.287 0.000 0.000 0.971 502 K CB -2.094 30.400 32.500 -0.009 0.000 1.352 502 K HN 0.839 nan 8.250 nan 0.000 0.524 503 S N 0.988 116.691 115.700 0.006 0.000 2.562 503 S HA 0.421 4.893 4.470 0.003 0.000 0.275 503 S C 1.104 175.709 174.600 0.009 0.000 1.281 503 S CA 0.055 58.259 58.200 0.006 0.000 1.045 503 S CB 1.576 64.780 63.200 0.007 0.000 0.962 503 S HN 0.464 nan 8.310 nan 0.000 0.503 504 S N 5.552 121.256 115.700 0.007 0.000 2.288 504 S HA 0.244 4.716 4.470 0.003 0.000 0.198 504 S C 1.089 175.695 174.600 0.011 0.000 1.021 504 S CA 0.035 58.240 58.200 0.008 0.000 0.973 504 S CB -0.466 62.738 63.200 0.006 0.000 0.946 504 S HN 0.614 nan 8.310 nan 0.000 0.470 505 R N 1.349 121.854 120.500 0.009 0.000 2.611 505 R HA 0.714 5.056 4.340 0.003 0.000 0.243 505 R C 0.279 176.586 176.300 0.011 0.000 1.260 505 R CA 0.277 56.384 56.100 0.011 0.000 1.095 505 R CB -0.134 30.171 30.300 0.009 0.000 1.259 505 R HN 0.608 nan 8.270 nan 0.000 0.575 506 A N -0.686 122.140 122.820 0.011 0.000 2.569 506 A HA 0.521 4.843 4.320 0.003 0.000 0.284 506 A C 0.292 177.884 177.584 0.014 0.000 0.948 506 A CA 0.499 52.543 52.037 0.011 0.000 1.007 506 A CB -0.302 18.703 19.000 0.008 0.000 1.232 506 A HN 0.986 nan 8.150 nan 0.000 0.530 507 A N -1.135 121.696 122.820 0.017 0.000 3.172 507 A HA -0.248 4.074 4.320 0.003 0.000 0.263 507 A C 1.977 179.567 177.584 0.010 0.000 1.215 507 A CA 2.142 54.193 52.037 0.023 0.000 1.065 507 A CB -2.743 16.276 19.000 0.033 0.000 1.148 507 A HN 1.811 nan 8.150 nan 0.000 0.904 508 V N -2.085 117.830 119.914 0.002 0.000 2.515 508 V HA 0.137 4.259 4.120 0.003 0.000 0.250 508 V C 2.336 178.417 176.094 -0.022 0.000 1.058 508 V CA 2.506 64.802 62.300 -0.008 0.000 1.064 508 V CB -1.653 30.167 31.823 -0.005 0.000 0.675 508 V HN 1.352 nan 8.190 nan 0.000 0.461 509 G N 0.603 109.392 108.800 -0.019 0.000 2.421 509 G HA2 -0.218 3.743 3.960 0.003 0.000 0.216 509 G HA3 -0.218 3.743 3.960 0.003 0.000 0.216 509 G C 0.709 175.556 174.900 -0.087 0.000 1.171 509 G CA 0.535 45.616 45.100 -0.031 0.000 0.775 509 G HN 0.592 nan 8.290 nan 0.000 0.543 510 N N 1.258 119.901 118.700 -0.094 0.000 1.792 510 N HA -0.008 4.734 4.740 0.003 0.000 0.321 510 N C -0.197 175.089 175.510 -0.372 0.000 1.314 510 N CA 1.099 54.020 53.050 -0.214 0.000 0.814 510 N CB 0.153 38.585 38.487 -0.092 0.000 1.073 510 N HN 0.386 nan 8.380 nan 0.000 0.503 511 K N 1.615 121.662 120.400 -0.588 0.000 2.527 511 K HA 0.444 4.766 4.320 0.003 0.000 0.260 511 K C -0.605 175.400 176.600 -0.992 0.000 0.937 511 K CA -0.463 55.421 56.287 -0.671 0.000 0.826 511 K CB 1.927 34.103 32.500 -0.540 0.000 1.359 511 K HN 0.317 nan 8.250 nan 0.000 0.434 512 M N 2.882 122.003 119.600 -0.800 0.000 2.268 512 M HA 0.460 4.942 4.480 0.003 0.000 0.344 512 M C -1.260 174.701 176.300 -0.565 0.000 1.106 512 M CA -0.638 54.261 55.300 -0.668 0.000 1.010 512 M CB 0.837 33.232 32.600 -0.343 0.000 1.649 512 M HN 0.368 nan 8.290 nan 0.000 0.443 513 F N 2.775 122.653 119.950 -0.120 0.000 2.375 513 F HA 0.468 4.997 4.527 0.003 0.000 0.361 513 F C -0.217 175.550 175.800 -0.056 0.000 1.117 513 F CA -1.064 56.887 58.000 -0.081 0.000 1.037 513 F CB 0.846 39.798 39.000 -0.080 0.000 1.192 513 F HN 0.112 nan 8.300 nan 0.000 0.452 514 V N 4.496 124.496 119.914 0.143 0.000 2.394 514 V HA 0.452 4.574 4.120 0.003 0.000 0.282 514 V C -0.136 176.001 176.094 0.071 0.000 1.031 514 V CA -0.965 61.388 62.300 0.088 0.000 0.881 514 V CB 1.375 33.242 31.823 0.074 0.000 0.982 514 V HN 0.729 nan 8.190 nan 0.000 0.451 515 K N 3.484 123.925 120.400 0.069 0.000 2.318 515 K HA 0.948 5.270 4.320 0.003 0.000 0.249 515 K C -0.328 176.325 176.600 0.087 0.000 0.942 515 K CA -0.540 55.778 56.287 0.051 0.000 0.808 515 K CB 2.675 35.189 32.500 0.024 0.000 1.189 515 K HN 0.905 nan 8.250 nan 0.000 0.428 516 G N 0.205 109.055 108.800 0.084 0.000 2.368 516 G HA2 0.459 4.421 3.960 0.003 0.000 0.293 516 G HA3 0.459 4.421 3.960 0.003 0.000 0.293 516 G C -1.525 173.441 174.900 0.110 0.000 1.467 516 G CA -0.649 44.528 45.100 0.128 0.000 0.804 516 G HN 0.742 nan 8.290 nan 0.000 0.535 517 A N 0.841 123.743 122.820 0.137 0.000 2.546 517 A HA 0.531 4.852 4.320 0.003 0.000 0.243 517 A C -0.691 176.951 177.584 0.097 0.000 1.063 517 A CA 0.191 52.295 52.037 0.111 0.000 0.757 517 A CB 0.026 19.103 19.000 0.129 0.000 0.991 517 A HN 0.386 nan 8.150 nan 0.000 0.503 518 P HA -0.241 nan 4.420 nan 0.000 0.214 518 P C 1.521 178.868 177.300 0.077 0.000 1.169 518 P CA 1.660 64.813 63.100 0.089 0.000 0.908 518 P CB 0.102 31.849 31.700 0.077 0.000 0.791 519 E N -0.479 119.756 120.200 0.058 0.000 2.048 519 E HA -0.221 4.131 4.350 0.003 0.000 0.202 519 E C 2.199 178.826 176.600 0.045 0.000 1.021 519 E CA 1.877 58.301 56.400 0.041 0.000 0.825 519 E CB -1.151 28.569 29.700 0.033 0.000 0.756 519 E HN 0.141 nan 8.360 nan 0.000 0.454 520 G N 0.654 109.488 108.800 0.056 0.000 2.529 520 G HA2 -0.295 3.667 3.960 0.003 0.000 0.219 520 G HA3 -0.295 3.667 3.960 0.003 0.000 0.219 520 G C 1.686 176.622 174.900 0.060 0.000 1.177 520 G CA 1.415 46.547 45.100 0.054 0.000 0.773 520 G HN 0.294 nan 8.290 nan 0.000 0.573 521 V N 0.875 120.838 119.914 0.082 0.000 2.515 521 V HA -0.063 4.059 4.120 0.003 0.000 0.250 521 V C 2.709 178.863 176.094 0.101 0.000 1.058 521 V CA 1.281 63.639 62.300 0.096 0.000 1.064 521 V CB -0.248 31.645 31.823 0.118 0.000 0.675 521 V HN 0.398 nan 8.190 nan 0.000 0.461 522 I N -0.103 120.521 120.570 0.091 0.000 2.500 522 I HA -0.132 4.040 4.170 0.003 0.000 0.252 522 I C 2.048 178.180 176.117 0.026 0.000 1.142 522 I CA 1.066 62.410 61.300 0.072 0.000 1.451 522 I CB -0.327 37.690 38.000 0.028 0.000 1.093 522 I HN 0.276 nan 8.210 nan 0.000 0.430 523 D N 1.080 121.490 120.400 0.018 0.000 2.264 523 D HA -0.108 4.534 4.640 0.003 0.000 0.208 523 D C 1.846 178.145 176.300 -0.001 0.000 0.966 523 D CA 0.928 54.928 54.000 0.000 0.000 0.864 523 D CB -0.073 40.727 40.800 0.001 0.000 0.933 523 D HN 0.372 nan 8.370 nan 0.000 0.499 524 R N -0.577 119.934 120.500 0.017 0.000 2.334 524 R HA 0.204 4.546 4.340 0.003 0.000 0.216 524 R C 0.081 176.388 176.300 0.012 0.000 0.905 524 R CA -0.124 55.984 56.100 0.014 0.000 1.064 524 R CB 0.144 30.463 30.300 0.031 0.000 1.046 524 R HN 0.031 nan 8.270 nan 0.000 0.508 525 C N 2.046 121.359 119.300 0.022 0.000 2.303 525 C HA 0.247 4.709 4.460 0.003 0.000 0.341 525 C C 1.241 176.193 174.990 -0.064 0.000 1.244 525 C CA -0.700 58.332 59.018 0.024 0.000 1.765 525 C CB 0.233 28.040 27.740 0.112 0.000 2.379 525 C HN 0.460 nan 8.230 nan 0.000 0.530 526 N N 1.197 119.786 118.700 -0.185 0.000 2.333 526 N HA 0.092 4.834 4.740 0.003 0.000 0.183 526 N C 0.257 175.540 175.510 -0.379 0.000 1.030 526 N CA 1.072 53.885 53.050 -0.395 0.000 0.867 526 N CB -0.081 37.958 38.487 -0.747 0.000 1.027 526 N HN 0.670 nan 8.380 nan 0.000 0.435 527 Y N -0.130 120.207 120.300 0.061 0.000 2.486 527 Y HA 0.611 5.163 4.550 0.003 0.000 0.356 527 Y C 0.259 176.222 175.900 0.105 0.000 1.330 527 Y CA -0.910 57.231 58.100 0.068 0.000 1.557 527 Y CB 0.405 38.902 38.460 0.061 0.000 1.647 527 Y HN -0.380 nan 8.280 nan 0.000 0.585 528 V N 0.304 120.404 119.914 0.310 0.000 2.823 528 V HA 0.276 4.398 4.120 0.003 0.000 0.296 528 V C -0.990 175.242 176.094 0.230 0.000 1.250 528 V CA -1.075 61.392 62.300 0.279 0.000 0.939 528 V CB 1.974 33.918 31.823 0.203 0.000 1.062 528 V HN 0.635 nan 8.190 nan 0.000 0.433 529 R N 3.295 123.927 120.500 0.219 0.000 2.298 529 R HA 0.653 4.994 4.340 0.003 0.000 0.310 529 R C -1.054 175.335 176.300 0.148 0.000 1.068 529 R CA -0.066 56.121 56.100 0.146 0.000 0.957 529 R CB 1.156 31.514 30.300 0.097 0.000 1.003 529 R HN 0.508 nan 8.270 nan 0.000 0.454 530 V N 6.146 126.128 119.914 0.114 0.000 2.325 530 V HA 0.436 4.558 4.120 0.003 0.000 0.280 530 V C 1.086 177.233 176.094 0.088 0.000 1.016 530 V CA 0.107 62.472 62.300 0.109 0.000 0.818 530 V CB 0.420 32.299 31.823 0.094 0.000 1.019 530 V HN 1.139 nan 8.190 nan 0.000 0.434 531 G N 5.554 114.413 108.800 0.099 0.000 2.602 531 G HA2 -0.357 3.605 3.960 0.003 0.000 0.310 531 G HA3 -0.357 3.605 3.960 0.003 0.000 0.310 531 G C 0.876 175.811 174.900 0.059 0.000 1.183 531 G CA 0.914 46.062 45.100 0.079 0.000 0.979 531 G HN 0.752 nan 8.290 nan 0.000 0.545 532 T N 0.968 115.549 114.554 0.044 0.000 3.037 532 T HA 0.322 4.674 4.350 0.003 0.000 0.252 532 T C 1.712 176.430 174.700 0.030 0.000 1.073 532 T CA 1.837 63.958 62.100 0.035 0.000 1.091 532 T CB -0.152 68.732 68.868 0.027 0.000 0.935 532 T HN 1.311 nan 8.240 nan 0.000 0.488 533 T N 1.184 115.758 114.554 0.033 0.000 2.750 533 T HA 0.279 4.630 4.350 0.003 0.000 0.351 533 T C 0.063 174.781 174.700 0.030 0.000 1.082 533 T CA -0.564 61.551 62.100 0.025 0.000 1.022 533 T CB 0.669 69.554 68.868 0.028 0.000 1.249 533 T HN 0.291 nan 8.240 nan 0.000 0.520 534 R N 0.195 120.708 120.500 0.021 0.000 2.603 534 R HA 0.479 4.820 4.340 0.003 0.000 0.280 534 R C -1.698 174.627 176.300 0.042 0.000 1.185 534 R CA -0.643 55.475 56.100 0.031 0.000 1.039 534 R CB 1.538 31.813 30.300 -0.041 0.000 1.247 534 R HN 0.802 nan 8.270 nan 0.000 0.413 535 V N 1.658 121.629 119.914 0.096 0.000 2.715 535 V HA 0.728 4.849 4.120 0.003 0.000 0.310 535 V C -2.659 173.538 176.094 0.172 0.000 1.054 535 V CA -2.628 59.735 62.300 0.105 0.000 0.928 535 V CB 1.707 33.578 31.823 0.080 0.000 1.007 535 V HN 0.574 nan 8.190 nan 0.000 0.437 536 P HA 0.141 nan 4.420 nan 0.000 0.264 536 P C -0.258 177.101 177.300 0.099 0.000 1.183 536 P CA -0.009 63.211 63.100 0.200 0.000 0.763 536 P CB 0.208 31.999 31.700 0.151 0.000 0.807 537 M N 4.223 123.857 119.600 0.058 0.000 2.513 537 M HA 0.066 4.547 4.480 0.003 0.000 0.341 537 M C 0.206 176.497 176.300 -0.014 0.000 1.689 537 M CA 0.658 55.961 55.300 0.005 0.000 1.202 537 M CB -0.910 31.673 32.600 -0.029 0.000 1.996 537 M HN 0.390 nan 8.290 nan 0.000 0.458 538 T N 1.639 116.182 114.554 -0.019 0.000 2.912 538 T HA 0.693 5.044 4.350 0.003 0.000 0.280 538 T C 1.119 175.792 174.700 -0.045 0.000 0.989 538 T CA -0.430 61.657 62.100 -0.023 0.000 0.995 538 T CB 1.327 70.188 68.868 -0.013 0.000 1.077 538 T HN 0.671 nan 8.240 nan 0.000 0.531 539 G N 0.939 109.714 108.800 -0.040 0.000 2.414 539 G HA2 0.014 3.976 3.960 0.003 0.000 0.215 539 G HA3 0.014 3.976 3.960 0.003 0.000 0.215 539 G C -0.501 174.360 174.900 -0.065 0.000 1.188 539 G CA 0.433 45.504 45.100 -0.050 0.000 0.783 539 G HN 0.722 nan 8.290 nan 0.000 0.537 540 P HA -0.020 nan 4.420 nan 0.000 0.221 540 P C 1.845 179.075 177.300 -0.117 0.000 1.145 540 P CA 0.638 63.693 63.100 -0.075 0.000 0.795 540 P CB 0.047 31.718 31.700 -0.049 0.000 0.775 541 V N 1.014 120.860 119.914 -0.114 0.000 2.273 541 V HA -0.170 3.952 4.120 0.003 0.000 0.242 541 V C 2.790 178.771 176.094 -0.188 0.000 1.035 541 V CA 1.731 63.940 62.300 -0.151 0.000 1.013 541 V CB -1.103 30.653 31.823 -0.112 0.000 0.652 541 V HN 0.072 nan 8.190 nan 0.000 0.452 542 K N -0.039 120.264 120.400 -0.161 0.000 2.107 542 K HA -0.291 4.031 4.320 0.003 0.000 0.211 542 K C 2.081 178.579 176.600 -0.170 0.000 1.049 542 K CA 2.268 58.450 56.287 -0.175 0.000 0.927 542 K CB -0.151 32.277 32.500 -0.119 0.000 0.714 542 K HN 0.554 nan 8.250 nan 0.000 0.452 543 E N -0.253 119.862 120.200 -0.143 0.000 2.208 543 E HA -0.175 4.177 4.350 0.003 0.000 0.193 543 E C 1.871 178.372 176.600 -0.165 0.000 0.988 543 E CA 0.748 57.070 56.400 -0.130 0.000 0.828 543 E CB 0.112 29.752 29.700 -0.100 0.000 0.763 543 E HN 0.114 nan 8.360 nan 0.000 0.478 544 K N 1.650 121.925 120.400 -0.209 0.000 1.991 544 K HA -0.076 4.246 4.320 0.003 0.000 0.207 544 K C 1.842 178.254 176.600 -0.314 0.000 1.045 544 K CA 0.999 57.128 56.287 -0.263 0.000 0.937 544 K CB -0.550 31.765 32.500 -0.309 0.000 0.720 544 K HN 0.007 nan 8.250 nan 0.000 0.438 545 I N 0.840 121.212 120.570 -0.330 0.000 2.103 545 I HA -0.383 3.789 4.170 0.003 0.000 0.241 545 I C 2.254 178.279 176.117 -0.155 0.000 1.036 545 I CA 1.746 62.877 61.300 -0.282 0.000 1.300 545 I CB -0.371 37.409 38.000 -0.367 0.000 1.010 545 I HN 0.196 nan 8.210 nan 0.000 0.406 546 L N 0.316 121.445 121.223 -0.157 0.000 2.201 546 L HA -0.151 4.191 4.340 0.003 0.000 0.212 546 L C 2.710 179.521 176.870 -0.099 0.000 1.105 546 L CA 1.581 56.361 54.840 -0.100 0.000 0.775 546 L CB -0.470 41.533 42.059 -0.094 0.000 0.913 546 L HN 0.430 nan 8.230 nan 0.000 0.440 547 S N -1.548 114.069 115.700 -0.137 0.000 2.461 547 S HA -0.053 4.419 4.470 0.003 0.000 0.228 547 S C 1.733 176.239 174.600 -0.155 0.000 1.005 547 S CA 0.470 58.595 58.200 -0.125 0.000 0.942 547 S CB -0.171 62.949 63.200 -0.132 0.000 0.776 547 S HN 0.159 nan 8.310 nan 0.000 0.514 548 V N 1.793 121.563 119.914 -0.240 0.000 2.426 548 V HA 0.089 4.211 4.120 0.003 0.000 0.242 548 V C 2.368 178.217 176.094 -0.408 0.000 1.036 548 V CA 1.052 63.116 62.300 -0.393 0.000 1.044 548 V CB -0.685 30.762 31.823 -0.627 0.000 0.688 548 V HN 0.408 nan 8.190 nan 0.000 0.462 549 I N 0.238 120.680 120.570 -0.214 0.000 2.181 549 I HA -0.385 3.787 4.170 0.003 0.000 0.247 549 I C 2.599 178.720 176.117 0.007 0.000 1.081 549 I CA 1.981 63.241 61.300 -0.068 0.000 1.340 549 I CB -0.338 37.668 38.000 0.009 0.000 1.036 549 I HN 0.289 nan 8.210 nan 0.000 0.417 550 K N 0.520 120.906 120.400 -0.022 0.000 2.097 550 K HA -0.215 4.106 4.320 0.003 0.000 0.205 550 K C 1.998 178.630 176.600 0.054 0.000 1.050 550 K CA 1.381 57.677 56.287 0.015 0.000 0.938 550 K CB -0.012 32.482 32.500 -0.010 0.000 0.718 550 K HN 0.287 nan 8.250 nan 0.000 0.442 551 E N -1.100 119.121 120.200 0.035 0.000 2.427 551 E HA -0.129 4.223 4.350 0.003 0.000 0.196 551 E C 1.046 177.846 176.600 0.333 0.000 1.028 551 E CA 0.412 56.886 56.400 0.123 0.000 0.864 551 E CB 0.222 29.970 29.700 0.079 0.000 0.813 551 E HN 0.336 nan 8.360 nan 0.000 0.514 552 W N -0.481 120.848 121.300 0.048 0.000 2.678 552 W HA 0.268 4.930 4.660 0.003 0.000 0.282 552 W C 2.227 178.764 176.519 0.029 0.000 1.137 552 W CA 0.708 58.080 57.345 0.045 0.000 1.515 552 W CB -1.066 28.434 29.460 0.068 0.000 1.101 552 W HN 0.051 nan 8.180 nan 0.000 0.564 553 G N -0.382 108.583 108.800 0.276 0.000 2.615 553 G HA2 -0.131 3.831 3.960 0.003 0.000 0.213 553 G HA3 -0.131 3.831 3.960 0.003 0.000 0.213 553 G C 1.061 176.025 174.900 0.106 0.000 1.135 553 G CA 2.019 47.213 45.100 0.157 0.000 0.772 553 G HN 0.319 nan 8.290 nan 0.000 0.542 554 T N -4.811 109.809 114.554 0.110 0.000 3.123 554 T HA 0.338 4.689 4.350 0.003 0.000 0.266 554 T C 1.408 176.144 174.700 0.061 0.000 0.873 554 T CA 0.806 62.948 62.100 0.070 0.000 0.854 554 T CB 0.036 68.939 68.868 0.057 0.000 1.254 554 T HN 0.320 nan 8.240 nan 0.000 0.570 555 G N 1.606 110.457 108.800 0.085 0.000 2.529 555 G HA2 0.312 4.273 3.960 0.003 0.000 0.277 555 G HA3 0.312 4.273 3.960 0.003 0.000 0.277 555 G C 0.690 175.611 174.900 0.036 0.000 1.383 555 G CA -0.689 44.450 45.100 0.064 0.000 1.050 555 G HN 0.466 nan 8.290 nan 0.000 0.526 556 R N 0.005 120.520 120.500 0.025 0.000 2.328 556 R HA 0.010 4.352 4.340 0.003 0.000 0.207 556 R C 0.019 176.322 176.300 0.005 0.000 1.056 556 R CA 1.017 57.125 56.100 0.013 0.000 1.016 556 R CB -0.036 30.269 30.300 0.009 0.000 0.872 556 R HN 0.575 nan 8.270 nan 0.000 0.471 557 D N 0.348 120.751 120.400 0.006 0.000 2.517 557 D HA 0.026 4.668 4.640 0.003 0.000 0.301 557 D C -0.835 175.465 176.300 -0.001 0.000 1.202 557 D CA -0.476 53.509 54.000 -0.025 0.000 0.910 557 D CB 0.738 41.493 40.800 -0.075 0.000 1.021 557 D HN -0.262 nan 8.370 nan 0.000 0.499 558 T N 2.750 117.310 114.554 0.010 0.000 2.775 558 T HA 0.292 4.643 4.350 0.003 0.000 0.287 558 T C 0.566 175.274 174.700 0.013 0.000 0.909 558 T CA -0.202 61.916 62.100 0.030 0.000 1.081 558 T CB 0.074 68.958 68.868 0.026 0.000 0.891 558 T HN 0.256 nan 8.240 nan 0.000 0.544 559 L N 2.223 123.464 121.223 0.029 0.000 2.332 559 L HA 0.630 4.972 4.340 0.003 0.000 0.269 559 L C 0.645 177.545 176.870 0.051 0.000 1.016 559 L CA -1.339 53.507 54.840 0.009 0.000 0.809 559 L CB 1.178 43.210 42.059 -0.045 0.000 1.280 559 L HN 0.332 nan 8.230 nan 0.000 0.447 560 R N 0.486 121.003 120.500 0.028 0.000 2.221 560 R HA 0.482 4.824 4.340 0.003 0.000 0.327 560 R C -1.397 174.936 176.300 0.055 0.000 1.033 560 R CA -0.356 55.767 56.100 0.038 0.000 0.887 560 R CB 0.684 30.992 30.300 0.014 0.000 1.057 560 R HN 0.691 nan 8.270 nan 0.000 0.455 561 C N 4.723 124.070 119.300 0.079 0.000 2.397 561 C HA 0.620 5.082 4.460 0.003 0.000 0.343 561 C C -0.453 174.571 174.990 0.058 0.000 1.188 561 C CA -0.691 58.383 59.018 0.094 0.000 1.992 561 C CB 0.946 28.772 27.740 0.143 0.000 2.358 561 C HN 0.721 nan 8.230 nan 0.000 0.518 562 L N 1.943 123.191 121.223 0.041 0.000 2.464 562 L HA 0.588 4.930 4.340 0.003 0.000 0.266 562 L C -0.007 176.868 176.870 0.008 0.000 0.965 562 L CA -0.208 54.647 54.840 0.024 0.000 0.833 562 L CB 1.592 43.653 42.059 0.002 0.000 1.296 562 L HN 0.833 nan 8.230 nan 0.000 0.405 563 A N 4.552 127.395 122.820 0.039 0.000 2.327 563 A HA 0.794 5.116 4.320 0.003 0.000 0.283 563 A C -0.783 176.785 177.584 -0.027 0.000 1.127 563 A CA -0.277 51.788 52.037 0.046 0.000 0.810 563 A CB 0.532 19.629 19.000 0.162 0.000 1.066 563 A HN 0.639 nan 8.150 nan 0.000 0.492 564 L N 1.549 122.679 121.223 -0.155 0.000 2.356 564 L HA 0.740 5.082 4.340 0.003 0.000 0.277 564 L C 0.219 176.959 176.870 -0.216 0.000 0.996 564 L CA -0.247 54.494 54.840 -0.164 0.000 0.822 564 L CB 1.811 43.748 42.059 -0.203 0.000 1.256 564 L HN 0.838 nan 8.230 nan 0.000 0.413 565 A N 1.560 124.341 122.820 -0.064 0.000 2.566 565 A HA 0.929 5.250 4.320 0.003 0.000 0.292 565 A C -0.583 177.043 177.584 0.070 0.000 1.112 565 A CA -0.459 51.571 52.037 -0.012 0.000 0.707 565 A CB 2.238 21.282 19.000 0.072 0.000 1.302 565 A HN 0.608 nan 8.150 nan 0.000 0.409 566 T N -0.972 113.642 114.554 0.099 0.000 2.906 566 T HA 0.683 5.035 4.350 0.003 0.000 0.295 566 T C -0.745 173.998 174.700 0.072 0.000 1.061 566 T CA -0.719 61.457 62.100 0.126 0.000 1.000 566 T CB 1.626 70.641 68.868 0.245 0.000 1.103 566 T HN 0.684 nan 8.240 nan 0.000 0.486 567 R N 1.490 121.986 120.500 -0.007 0.000 2.239 567 R HA 0.296 4.638 4.340 0.003 0.000 0.332 567 R C -0.442 175.827 176.300 -0.053 0.000 0.988 567 R CA -0.250 55.849 56.100 -0.002 0.000 0.859 567 R CB 0.582 30.867 30.300 -0.025 0.000 1.148 567 R HN 0.804 nan 8.270 nan 0.000 0.482 568 D N 0.394 120.800 120.400 0.009 0.000 2.277 568 D HA -0.071 4.571 4.640 0.003 0.000 0.208 568 D C 0.101 176.372 176.300 -0.049 0.000 0.962 568 D CA 1.063 55.046 54.000 -0.028 0.000 0.865 568 D CB 0.543 41.336 40.800 -0.012 0.000 0.939 568 D HN 0.466 nan 8.370 nan 0.000 0.510 569 T N -0.570 113.975 114.554 -0.015 0.000 3.241 569 T HA 0.427 4.779 4.350 0.003 0.000 0.387 569 T C -2.884 171.816 174.700 0.001 0.000 1.451 569 T CA -1.981 60.114 62.100 -0.008 0.000 1.363 569 T CB 1.281 70.166 68.868 0.029 0.000 1.074 569 T HN -0.239 nan 8.240 nan 0.000 0.598 570 P HA 0.404 nan 4.420 nan 0.000 0.274 570 P C -2.426 174.925 177.300 0.085 0.000 1.231 570 P CA -1.376 61.706 63.100 -0.029 0.000 0.790 570 P CB -0.343 31.201 31.700 -0.261 0.000 0.951 571 P HA 0.019 nan 4.420 nan 0.000 0.267 571 P C -0.232 177.167 177.300 0.164 0.000 1.195 571 P CA 0.099 63.279 63.100 0.133 0.000 0.773 571 P CB 0.295 32.057 31.700 0.102 0.000 0.837 572 K N 1.881 122.335 120.400 0.090 0.000 2.448 572 K HA -0.020 4.302 4.320 0.003 0.000 0.278 572 K C 1.464 178.055 176.600 -0.016 0.000 1.009 572 K CA 0.275 56.602 56.287 0.068 0.000 0.995 572 K CB 0.122 32.640 32.500 0.031 0.000 0.917 572 K HN 0.243 nan 8.250 nan 0.000 0.481 573 R N 2.206 122.665 120.500 -0.069 0.000 2.185 573 R HA -0.223 4.118 4.340 0.003 0.000 0.247 573 R C 0.307 176.455 176.300 -0.254 0.000 1.159 573 R CA 2.311 58.235 56.100 -0.293 0.000 0.988 573 R CB 0.128 30.244 30.300 -0.307 0.000 0.871 573 R HN 0.770 nan 8.270 nan 0.000 0.458 574 E N -0.856 119.256 120.200 -0.147 0.000 2.474 574 E HA 0.010 4.362 4.350 0.003 0.000 0.195 574 E C 0.483 177.024 176.600 -0.098 0.000 1.039 574 E CA 0.278 56.601 56.400 -0.129 0.000 0.881 574 E CB 0.489 30.138 29.700 -0.084 0.000 0.970 574 E HN 0.403 nan 8.360 nan 0.000 0.486 575 E N 0.384 120.530 120.200 -0.090 0.000 2.444 575 E HA 0.204 4.556 4.350 0.003 0.000 0.191 575 E C -0.301 176.245 176.600 -0.089 0.000 1.041 575 E CA -0.012 56.359 56.400 -0.050 0.000 0.883 575 E CB 0.264 29.962 29.700 -0.003 0.000 1.024 575 E HN 0.248 nan 8.360 nan 0.000 0.470 576 M N 1.504 120.980 119.600 -0.207 0.000 2.181 576 M HA 0.257 4.739 4.480 0.003 0.000 0.323 576 M C -0.843 175.334 176.300 -0.206 0.000 1.004 576 M CA -0.787 54.292 55.300 -0.369 0.000 0.941 576 M CB 2.264 34.496 32.600 -0.614 0.000 1.579 576 M HN -0.248 nan 8.290 nan 0.000 0.427 577 V N 5.308 125.231 119.914 0.015 0.000 2.356 577 V HA 0.091 4.212 4.120 0.003 0.000 0.258 577 V C 1.279 177.492 176.094 0.198 0.000 1.065 577 V CA -0.129 62.219 62.300 0.079 0.000 0.935 577 V CB -0.219 31.681 31.823 0.128 0.000 1.061 577 V HN 0.899 nan 8.190 nan 0.000 0.484 578 L N 1.774 123.044 121.223 0.078 0.000 2.201 578 L HA -0.077 4.265 4.340 0.003 0.000 0.212 578 L C 1.637 178.629 176.870 0.203 0.000 1.105 578 L CA 1.076 56.055 54.840 0.231 0.000 0.775 578 L CB -0.392 41.664 42.059 -0.004 0.000 0.913 578 L HN 0.531 nan 8.230 nan 0.000 0.440 579 D N -0.714 119.722 120.400 0.060 0.000 2.312 579 D HA -0.087 4.554 4.640 0.003 0.000 0.211 579 D C 0.521 176.772 176.300 -0.081 0.000 0.964 579 D CA 0.905 54.904 54.000 -0.002 0.000 0.877 579 D CB 0.003 40.796 40.800 -0.012 0.000 0.924 579 D HN 0.114 nan 8.370 nan 0.000 0.515 580 D N -0.855 119.467 120.400 -0.131 0.000 2.453 580 D HA 0.089 4.730 4.640 0.003 0.000 0.238 580 D C 0.729 176.658 176.300 -0.618 0.000 1.088 580 D CA -0.300 53.553 54.000 -0.245 0.000 0.854 580 D CB 1.173 41.898 40.800 -0.126 0.000 1.076 580 D HN -0.108 nan 8.370 nan 0.000 0.533 581 S N 1.717 116.960 115.700 -0.762 0.000 2.561 581 S HA -0.112 4.360 4.470 0.003 0.000 0.225 581 S C 1.548 175.771 174.600 -0.629 0.000 0.977 581 S CA 1.025 58.501 58.200 -1.207 0.000 0.926 581 S CB -0.123 62.735 63.200 -0.570 0.000 0.769 581 S HN 0.318 nan 8.310 nan 0.000 0.533 582 S N 1.044 116.511 115.700 -0.389 0.000 2.501 582 S HA 0.207 4.678 4.470 0.003 0.000 0.220 582 S C 1.730 176.212 174.600 -0.197 0.000 0.997 582 S CA -0.335 57.733 58.200 -0.219 0.000 0.919 582 S CB -0.283 62.823 63.200 -0.157 0.000 0.778 582 S HN 0.603 nan 8.310 nan 0.000 0.523 583 R N -0.201 120.147 120.500 -0.254 0.000 2.254 583 R HA 0.362 4.704 4.340 0.003 0.000 0.195 583 R C 1.578 177.608 176.300 -0.450 0.000 0.957 583 R CA 0.381 56.282 56.100 -0.331 0.000 1.024 583 R CB -0.358 29.760 30.300 -0.303 0.000 0.952 583 R HN 0.416 nan 8.270 nan 0.000 0.484 584 F N 1.403 121.158 119.950 -0.324 0.000 2.087 584 F HA -0.365 4.163 4.527 0.003 0.000 0.299 584 F C 2.624 178.332 175.800 -0.154 0.000 1.100 584 F CA 0.983 58.891 58.000 -0.153 0.000 1.226 584 F CB -0.190 38.827 39.000 0.029 0.000 0.983 584 F HN 0.079 nan 8.300 nan 0.000 0.479 585 M N 0.878 120.516 119.600 0.063 0.000 2.260 585 M HA -0.241 4.241 4.480 0.003 0.000 0.261 585 M C 2.034 178.324 176.300 -0.017 0.000 1.066 585 M CA 2.035 57.345 55.300 0.017 0.000 1.082 585 M CB -0.238 32.355 32.600 -0.010 0.000 1.388 585 M HN 0.205 nan 8.290 nan 0.000 0.419 586 E N -1.371 118.761 120.200 -0.114 0.000 2.415 586 E HA -0.110 4.242 4.350 0.003 0.000 0.197 586 E C 1.099 177.719 176.600 0.034 0.000 1.007 586 E CA 0.339 56.698 56.400 -0.069 0.000 0.890 586 E CB -0.461 29.178 29.700 -0.101 0.000 0.891 586 E HN 0.566 nan 8.360 nan 0.000 0.496 587 Y N 2.155 122.523 120.300 0.114 0.000 2.373 587 Y HA 0.100 4.652 4.550 0.003 0.000 0.293 587 Y C 0.848 176.790 175.900 0.070 0.000 1.129 587 Y CA 0.347 58.511 58.100 0.107 0.000 1.226 587 Y CB -0.115 38.427 38.460 0.137 0.000 1.000 587 Y HN 0.057 nan 8.280 nan 0.000 0.549 588 E N 0.356 120.660 120.200 0.173 0.000 2.427 588 E HA 0.222 4.574 4.350 0.003 0.000 0.259 588 E C -0.307 176.340 176.600 0.078 0.000 1.267 588 E CA -0.063 56.401 56.400 0.108 0.000 1.425 588 E CB 0.306 30.059 29.700 0.088 0.000 1.482 588 E HN -0.029 nan 8.360 nan 0.000 0.460 589 T N 0.016 114.618 114.554 0.080 0.000 2.894 589 T HA 0.174 4.526 4.350 0.003 0.000 0.309 589 T C -0.804 173.924 174.700 0.047 0.000 1.208 589 T CA -0.444 61.687 62.100 0.051 0.000 1.016 589 T CB 1.220 70.113 68.868 0.042 0.000 1.192 589 T HN 0.336 nan 8.240 nan 0.000 0.491 590 D N 1.088 121.492 120.400 0.007 0.000 2.947 590 D HA -0.132 4.510 4.640 0.003 0.000 0.224 590 D C -0.102 176.224 176.300 0.043 0.000 1.132 590 D CA 0.652 54.641 54.000 -0.017 0.000 0.801 590 D CB -1.465 39.364 40.800 0.048 0.000 1.097 590 D HN 0.469 nan 8.370 nan 0.000 0.431 591 L N -0.390 120.858 121.223 0.041 0.000 2.472 591 L HA 0.332 4.673 4.340 0.003 0.000 0.260 591 L C 1.023 177.981 176.870 0.148 0.000 1.209 591 L CA 0.245 55.142 54.840 0.095 0.000 0.817 591 L CB 0.667 42.778 42.059 0.087 0.000 1.106 591 L HN 0.017 nan 8.230 nan 0.000 0.479 592 T N 1.436 116.108 114.554 0.196 0.000 2.791 592 T HA 0.289 4.640 4.350 0.003 0.000 0.288 592 T C -0.386 174.437 174.700 0.206 0.000 0.999 592 T CA -0.357 61.889 62.100 0.245 0.000 0.952 592 T CB 0.585 69.595 68.868 0.238 0.000 0.938 592 T HN 0.249 nan 8.240 nan 0.000 0.444 593 F N 3.710 123.718 119.950 0.096 0.000 2.589 593 F HA 0.265 4.794 4.527 0.003 0.000 0.352 593 F C 0.727 176.578 175.800 0.084 0.000 1.168 593 F CA 0.549 58.596 58.000 0.078 0.000 1.353 593 F CB 0.550 39.594 39.000 0.073 0.000 1.116 593 F HN 0.340 nan 8.300 nan 0.000 0.608 594 V N 2.354 121.692 119.914 -0.959 0.000 3.155 594 V HA 0.441 4.563 4.120 0.003 0.000 0.225 594 V C 0.543 176.230 176.094 -0.677 0.000 1.462 594 V CA 0.393 62.368 62.300 -0.543 0.000 1.270 594 V CB 0.284 31.939 31.823 -0.281 0.000 1.112 594 V HN 1.098 nan 8.190 nan 0.000 0.479 595 G N -0.683 107.475 108.800 -1.069 0.000 2.495 595 G HA2 0.569 4.531 3.960 0.003 0.000 0.294 595 G HA3 0.569 4.531 3.960 0.003 0.000 0.294 595 G C -2.379 172.196 174.900 -0.543 0.000 1.397 595 G CA -0.205 44.546 45.100 -0.582 0.000 0.790 595 G HN 0.008 nan 8.290 nan 0.000 0.486 596 V N -0.254 119.354 119.914 -0.511 0.000 2.841 596 V HA 0.785 4.906 4.120 0.003 0.000 0.310 596 V C -0.228 175.735 176.094 -0.218 0.000 1.090 596 V CA -0.516 61.519 62.300 -0.441 0.000 0.930 596 V CB 2.041 33.330 31.823 -0.889 0.000 1.014 596 V HN 1.360 nan 8.190 nan 0.000 0.425 597 V N 1.326 121.199 119.914 -0.068 0.000 2.914 597 V HA 1.073 5.195 4.120 0.003 0.000 0.314 597 V C -0.026 176.107 176.094 0.065 0.000 1.084 597 V CA -0.478 61.826 62.300 0.006 0.000 0.963 597 V CB 1.871 33.670 31.823 -0.040 0.000 1.025 597 V HN 1.090 nan 8.190 nan 0.000 0.432 598 G N 3.076 111.891 108.800 0.025 0.000 2.737 598 G HA2 0.668 4.629 3.960 0.003 0.000 0.290 598 G HA3 0.668 4.629 3.960 0.003 0.000 0.290 598 G C -1.078 173.774 174.900 -0.080 0.000 1.482 598 G CA -0.815 44.287 45.100 0.003 0.000 1.017 598 G HN 0.714 nan 8.290 nan 0.000 0.529 599 M N 1.640 121.211 119.600 -0.048 0.000 2.537 599 M HA 0.702 5.184 4.480 0.003 0.000 0.324 599 M C -0.693 175.568 176.300 -0.063 0.000 1.187 599 M CA -0.907 54.355 55.300 -0.063 0.000 0.993 599 M CB 2.582 35.158 32.600 -0.040 0.000 1.666 599 M HN 0.421 nan 8.290 nan 0.000 0.461 600 L N 0.955 122.130 121.223 -0.080 0.000 2.409 600 L HA 0.538 4.880 4.340 0.003 0.000 0.262 600 L C -1.455 175.366 176.870 -0.082 0.000 0.992 600 L CA -0.414 54.381 54.840 -0.074 0.000 0.817 600 L CB 2.188 44.194 42.059 -0.088 0.000 1.350 600 L HN 0.625 nan 8.230 nan 0.000 0.411 601 D N 5.124 125.482 120.400 -0.069 0.000 2.393 601 D HA 0.310 4.952 4.640 0.003 0.000 0.232 601 D C -2.468 173.782 176.300 -0.084 0.000 1.192 601 D CA -1.789 52.163 54.000 -0.079 0.000 0.882 601 D CB 0.887 41.654 40.800 -0.053 0.000 1.038 601 D HN 0.229 nan 8.370 nan 0.000 0.499 602 P HA 0.309 nan 4.420 nan 0.000 0.285 602 P C -2.705 174.539 177.300 -0.093 0.000 1.259 602 P CA -1.741 61.301 63.100 -0.097 0.000 0.794 602 P CB 0.802 32.438 31.700 -0.108 0.000 0.940 603 P HA 0.076 nan 4.420 nan 0.000 0.268 603 P C 0.094 177.339 177.300 -0.092 0.000 1.208 603 P CA 0.238 63.276 63.100 -0.104 0.000 0.777 603 P CB 0.399 32.035 31.700 -0.107 0.000 0.875 604 R N 2.189 122.631 120.500 -0.096 0.000 2.543 604 R HA 0.134 4.475 4.340 0.003 0.000 0.277 604 R C 1.464 177.734 176.300 -0.051 0.000 1.074 604 R CA -0.582 55.482 56.100 -0.061 0.000 1.076 604 R CB 0.298 30.576 30.300 -0.038 0.000 0.993 604 R HN 0.402 nan 8.270 nan 0.000 0.459 605 K N 2.525 122.908 120.400 -0.028 0.000 2.030 605 K HA -0.241 4.081 4.320 0.003 0.000 0.222 605 K C 1.585 178.179 176.600 -0.010 0.000 1.056 605 K CA 2.287 58.562 56.287 -0.019 0.000 0.957 605 K CB -0.081 32.416 32.500 -0.005 0.000 0.727 605 K HN 0.771 nan 8.250 nan 0.000 0.452 606 E N 1.015 121.223 120.200 0.014 0.000 2.511 606 E HA -0.053 4.298 4.350 0.003 0.000 0.196 606 E C 1.887 178.520 176.600 0.055 0.000 1.066 606 E CA 0.325 56.750 56.400 0.041 0.000 0.871 606 E CB -0.315 29.426 29.700 0.068 0.000 0.863 606 E HN 0.063 nan 8.360 nan 0.000 0.520 607 V N 1.774 121.680 119.914 -0.015 0.000 2.261 607 V HA -0.294 3.827 4.120 0.003 0.000 0.246 607 V C 2.739 178.805 176.094 -0.047 0.000 1.047 607 V CA 2.260 64.499 62.300 -0.100 0.000 1.015 607 V CB -0.702 30.942 31.823 -0.298 0.000 0.642 607 V HN 0.272 nan 8.190 nan 0.000 0.446 608 M N 0.569 120.139 119.600 -0.049 0.000 2.089 608 M HA -0.192 4.290 4.480 0.003 0.000 0.257 608 M C 2.022 178.324 176.300 0.004 0.000 1.071 608 M CA 2.563 57.845 55.300 -0.030 0.000 1.096 608 M CB -0.678 31.905 32.600 -0.029 0.000 1.330 608 M HN 0.424 nan 8.290 nan 0.000 0.403 609 G N -1.106 107.705 108.800 0.019 0.000 2.418 609 G HA2 -0.181 3.780 3.960 0.003 0.000 0.217 609 G HA3 -0.181 3.780 3.960 0.003 0.000 0.217 609 G C 1.388 176.318 174.900 0.050 0.000 1.158 609 G CA 1.021 46.138 45.100 0.029 0.000 0.771 609 G HN 0.556 nan 8.290 nan 0.000 0.545 610 S N 0.872 116.624 115.700 0.087 0.000 2.370 610 S HA -0.086 4.386 4.470 0.003 0.000 0.226 610 S C 2.271 176.946 174.600 0.125 0.000 1.033 610 S CA 1.039 59.316 58.200 0.130 0.000 1.011 610 S CB -0.189 63.173 63.200 0.270 0.000 0.852 610 S HN 0.318 nan 8.310 nan 0.000 0.457 611 I N 1.582 122.220 120.570 0.113 0.000 2.361 611 I HA -0.169 4.002 4.170 0.003 0.000 0.251 611 I C 2.627 178.771 176.117 0.045 0.000 1.133 611 I CA 1.322 62.670 61.300 0.080 0.000 1.413 611 I CB -1.197 36.815 38.000 0.019 0.000 1.073 611 I HN 0.320 nan 8.210 nan 0.000 0.424 612 Q N 1.693 121.513 119.800 0.033 0.000 1.990 612 Q HA -0.143 4.198 4.340 0.003 0.000 0.200 612 Q C 2.102 178.116 176.000 0.024 0.000 0.980 612 Q CA 1.571 57.387 55.803 0.023 0.000 0.832 612 Q CB -0.470 28.279 28.738 0.017 0.000 0.897 612 Q HN 0.293 nan 8.270 nan 0.000 0.427 613 L N -0.070 121.169 121.223 0.027 0.000 2.270 613 L HA -0.255 4.087 4.340 0.003 0.000 0.217 613 L C 2.386 179.266 176.870 0.017 0.000 1.107 613 L CA 1.349 56.201 54.840 0.020 0.000 0.772 613 L CB -0.936 41.137 42.059 0.022 0.000 0.902 613 L HN 0.423 nan 8.230 nan 0.000 0.439 614 C N -1.757 117.558 119.300 0.026 0.000 2.505 614 C HA -0.042 4.420 4.460 0.003 0.000 0.279 614 C C 2.973 177.971 174.990 0.014 0.000 1.316 614 C CA 0.262 59.293 59.018 0.021 0.000 1.720 614 C CB -0.516 27.250 27.740 0.042 0.000 2.050 614 C HN 0.526 nan 8.230 nan 0.000 0.493 615 R N 0.818 121.328 120.500 0.017 0.000 2.115 615 R HA -0.107 4.235 4.340 0.003 0.000 0.230 615 R C 1.450 177.754 176.300 0.007 0.000 1.111 615 R CA 1.563 57.671 56.100 0.012 0.000 0.976 615 R CB -0.276 30.032 30.300 0.014 0.000 0.870 615 R HN 0.455 nan 8.270 nan 0.000 0.445 616 D N 0.337 120.741 120.400 0.007 0.000 2.144 616 D HA -0.099 4.543 4.640 0.003 0.000 0.200 616 D C 0.890 177.189 176.300 -0.001 0.000 0.978 616 D CA 1.374 55.376 54.000 0.004 0.000 0.833 616 D CB 0.001 40.804 40.800 0.005 0.000 0.961 616 D HN 0.316 nan 8.370 nan 0.000 0.470 617 A N -0.161 122.658 122.820 -0.002 0.000 2.476 617 A HA 0.473 4.795 4.320 0.003 0.000 0.263 617 A C 1.464 179.041 177.584 -0.011 0.000 1.342 617 A CA 0.497 52.529 52.037 -0.008 0.000 0.926 617 A CB -0.692 18.302 19.000 -0.011 0.000 1.019 617 A HN 0.166 nan 8.150 nan 0.000 0.515 618 G N -0.147 108.649 108.800 -0.007 0.000 2.321 618 G HA2 -0.253 3.709 3.960 0.003 0.000 0.287 618 G HA3 -0.253 3.709 3.960 0.003 0.000 0.287 618 G C 0.033 174.928 174.900 -0.009 0.000 1.018 618 G CA 0.726 45.821 45.100 -0.009 0.000 0.855 618 G HN 0.594 nan 8.290 nan 0.000 0.507 619 I N 0.254 120.822 120.570 -0.003 0.000 2.359 619 I HA 0.291 4.463 4.170 0.003 0.000 0.284 619 I C 0.902 177.025 176.117 0.010 0.000 1.018 619 I CA -0.930 60.370 61.300 -0.000 0.000 1.173 619 I CB 1.080 39.078 38.000 -0.003 0.000 1.326 619 I HN 0.217 nan 8.210 nan 0.000 0.462 620 R N 5.014 125.521 120.500 0.013 0.000 2.738 620 R HA 0.450 4.791 4.340 0.003 0.000 0.268 620 R C -1.180 175.137 176.300 0.029 0.000 1.062 620 R CA -0.045 56.068 56.100 0.021 0.000 1.158 620 R CB 0.935 31.250 30.300 0.025 0.000 1.046 620 R HN 0.405 nan 8.270 nan 0.000 0.493 621 V N 5.696 125.625 119.914 0.025 0.000 2.524 621 V HA 0.338 4.460 4.120 0.003 0.000 0.297 621 V C -0.229 175.872 176.094 0.011 0.000 1.035 621 V CA -0.616 61.702 62.300 0.030 0.000 0.867 621 V CB 1.591 33.437 31.823 0.039 0.000 1.004 621 V HN 0.647 nan 8.190 nan 0.000 0.426 622 I N 4.588 125.184 120.570 0.045 0.000 2.577 622 I HA 0.517 4.689 4.170 0.003 0.000 0.305 622 I C -0.054 176.091 176.117 0.047 0.000 0.986 622 I CA -0.565 60.777 61.300 0.070 0.000 1.189 622 I CB 1.837 39.932 38.000 0.158 0.000 1.355 622 I HN 0.505 nan 8.210 nan 0.000 0.476 623 M N 6.601 126.230 119.600 0.048 0.000 2.072 623 M HA 0.496 4.978 4.480 0.003 0.000 0.331 623 M C -1.387 174.998 176.300 0.143 0.000 1.004 623 M CA -0.485 54.837 55.300 0.037 0.000 0.952 623 M CB 0.783 33.357 32.600 -0.045 0.000 1.511 623 M HN 0.435 nan 8.290 nan 0.000 0.422 624 I N 3.804 124.431 120.570 0.094 0.000 2.328 624 I HA 0.372 4.544 4.170 0.003 0.000 0.287 624 I C -0.104 176.035 176.117 0.036 0.000 1.012 624 I CA -0.405 60.939 61.300 0.074 0.000 1.195 624 I CB 1.467 39.432 38.000 -0.059 0.000 1.350 624 I HN 0.557 nan 8.210 nan 0.000 0.464 625 T N 3.215 117.803 114.554 0.056 0.000 2.906 625 T HA 0.546 4.898 4.350 0.003 0.000 0.295 625 T C 0.714 175.435 174.700 0.035 0.000 1.061 625 T CA -0.333 61.785 62.100 0.030 0.000 1.000 625 T CB 1.886 70.768 68.868 0.023 0.000 1.103 625 T HN 0.753 nan 8.240 nan 0.000 0.486 626 G N 1.396 110.206 108.800 0.018 0.000 3.126 626 G HA2 0.160 4.121 3.960 0.003 0.000 0.224 626 G HA3 0.160 4.121 3.960 0.003 0.000 0.224 626 G C 0.455 175.367 174.900 0.020 0.000 1.142 626 G CA -0.094 45.017 45.100 0.018 0.000 0.759 626 G HN 0.635 nan 8.290 nan 0.000 0.550 627 D N 0.702 121.113 120.400 0.018 0.000 2.372 627 D HA 0.047 4.689 4.640 0.003 0.000 0.243 627 D C 0.082 176.398 176.300 0.026 0.000 1.297 627 D CA -0.215 53.795 54.000 0.017 0.000 0.958 627 D CB 0.528 41.334 40.800 0.009 0.000 1.114 627 D HN -0.083 nan 8.370 nan 0.000 0.496 628 N N 1.036 119.750 118.700 0.025 0.000 2.525 628 N HA -0.028 4.714 4.740 0.003 0.000 0.271 628 N C 0.867 176.393 175.510 0.027 0.000 1.194 628 N CA -0.160 52.908 53.050 0.029 0.000 0.964 628 N CB 1.075 39.579 38.487 0.029 0.000 1.126 628 N HN 0.395 nan 8.380 nan 0.000 0.452 629 K N 1.617 122.034 120.400 0.029 0.000 2.032 629 K HA -0.149 4.173 4.320 0.003 0.000 0.209 629 K C 1.672 178.282 176.600 0.017 0.000 1.048 629 K CA 1.589 57.889 56.287 0.022 0.000 0.927 629 K CB -0.580 31.929 32.500 0.015 0.000 0.712 629 K HN 0.653 nan 8.250 nan 0.000 0.441 630 G N 0.694 109.504 108.800 0.016 0.000 2.764 630 G HA2 -0.365 3.597 3.960 0.003 0.000 0.219 630 G HA3 -0.365 3.597 3.960 0.003 0.000 0.219 630 G C 1.421 176.332 174.900 0.018 0.000 1.259 630 G CA 2.086 47.196 45.100 0.016 0.000 0.793 630 G HN 0.424 nan 8.290 nan 0.000 0.633 631 T N 1.792 116.355 114.554 0.016 0.000 2.721 631 T HA -0.110 4.241 4.350 0.003 0.000 0.268 631 T C 2.713 177.416 174.700 0.005 0.000 1.038 631 T CA 2.061 64.165 62.100 0.008 0.000 1.145 631 T CB -0.537 68.333 68.868 0.004 0.000 0.858 631 T HN 0.531 nan 8.240 nan 0.000 0.459 632 A N 1.578 124.405 122.820 0.012 0.000 1.865 632 A HA -0.085 4.237 4.320 0.003 0.000 0.217 632 A C 2.312 179.907 177.584 0.018 0.000 1.191 632 A CA 1.538 53.581 52.037 0.009 0.000 0.623 632 A CB -0.753 18.259 19.000 0.020 0.000 0.826 632 A HN 0.552 nan 8.150 nan 0.000 0.444 633 I N -0.304 120.297 120.570 0.051 0.000 2.113 633 I HA -0.272 3.900 4.170 0.003 0.000 0.238 633 I C 2.981 179.146 176.117 0.081 0.000 1.070 633 I CA 1.275 62.642 61.300 0.112 0.000 1.332 633 I CB -1.171 36.891 38.000 0.103 0.000 1.044 633 I HN 0.352 nan 8.210 nan 0.000 0.402 634 A N 1.507 124.351 122.820 0.039 0.000 1.985 634 A HA -0.236 4.086 4.320 0.003 0.000 0.223 634 A C 2.276 179.861 177.584 0.002 0.000 1.189 634 A CA 2.021 54.069 52.037 0.018 0.000 0.658 634 A CB -0.793 18.209 19.000 0.003 0.000 0.820 634 A HN 0.459 nan 8.150 nan 0.000 0.464 635 I N -1.435 119.128 120.570 -0.011 0.000 2.703 635 I HA -0.146 4.026 4.170 0.003 0.000 0.259 635 I C 2.489 178.573 176.117 -0.055 0.000 1.151 635 I CA 0.706 61.982 61.300 -0.041 0.000 1.470 635 I CB -1.202 36.764 38.000 -0.055 0.000 1.112 635 I HN 0.385 nan 8.210 nan 0.000 0.437 636 c N 1.084 119.656 118.600 -0.046 0.000 2.429 636 c HA -0.148 4.424 4.570 0.003 0.000 0.277 636 c C 2.999 177.058 174.090 -0.052 0.000 1.262 636 c CA 0.863 57.117 56.329 -0.125 0.000 1.733 636 c CB -0.955 41.409 42.510 -0.243 0.000 2.010 636 c HN 0.433 nan 8.230 nan 0.000 0.483 637 R N 0.177 120.713 120.500 0.060 0.000 2.075 637 R HA -0.135 4.206 4.340 0.003 0.000 0.230 637 R C 2.451 178.759 176.300 0.013 0.000 1.140 637 R CA 1.437 57.583 56.100 0.076 0.000 0.928 637 R CB -0.475 29.873 30.300 0.080 0.000 0.834 637 R HN 0.450 nan 8.270 nan 0.000 0.429 638 R N 0.971 121.465 120.500 -0.010 0.000 2.244 638 R HA -0.166 4.176 4.340 0.003 0.000 0.252 638 R C 2.024 178.298 176.300 -0.044 0.000 1.177 638 R CA 1.709 57.790 56.100 -0.031 0.000 1.004 638 R CB -0.177 30.096 30.300 -0.045 0.000 0.873 638 R HN 0.481 nan 8.270 nan 0.000 0.469 639 I N -5.670 114.866 120.570 -0.056 0.000 4.288 639 I HA 0.342 4.514 4.170 0.003 0.000 0.331 639 I C 0.617 176.700 176.117 -0.057 0.000 1.322 639 I CA 0.620 61.876 61.300 -0.073 0.000 1.149 639 I CB 1.082 39.009 38.000 -0.121 0.000 1.112 639 I HN 0.145 nan 8.210 nan 0.000 0.403 640 G N 2.747 111.522 108.800 -0.041 0.000 2.255 640 G HA2 -0.202 3.759 3.960 0.003 0.000 0.239 640 G HA3 -0.202 3.759 3.960 0.003 0.000 0.239 640 G C 0.358 175.230 174.900 -0.046 0.000 1.083 640 G CA 0.363 45.453 45.100 -0.017 0.000 0.826 640 G HN 0.475 nan 8.290 nan 0.000 0.493 641 I N -1.187 119.311 120.570 -0.120 0.000 2.703 641 I HA 0.289 4.461 4.170 0.003 0.000 0.259 641 I C 1.217 177.204 176.117 -0.217 0.000 1.151 641 I CA 0.784 61.938 61.300 -0.244 0.000 1.470 641 I CB 0.040 37.788 38.000 -0.421 0.000 1.112 641 I HN 0.275 nan 8.210 nan 0.000 0.437 642 F N -0.321 119.613 119.950 -0.027 0.000 2.575 642 F HA 0.570 5.098 4.527 0.003 0.000 0.330 642 F C 0.752 176.536 175.800 -0.026 0.000 1.056 642 F CA -1.202 56.780 58.000 -0.029 0.000 0.964 642 F CB 1.546 40.522 39.000 -0.039 0.000 1.258 642 F HN -0.241 nan 8.300 nan 0.000 0.484 643 G N 0.317 109.234 108.800 0.195 0.000 2.389 643 G HA2 0.238 4.200 3.960 0.003 0.000 0.317 643 G HA3 0.238 4.200 3.960 0.003 0.000 0.317 643 G C 0.341 175.271 174.900 0.050 0.000 1.137 643 G CA -0.400 44.750 45.100 0.084 0.000 0.870 643 G HN 0.805 nan 8.290 nan 0.000 0.496 644 E N 1.021 121.239 120.200 0.031 0.000 2.271 644 E HA -0.239 4.113 4.350 0.003 0.000 0.209 644 E C 0.974 177.574 176.600 -0.001 0.000 1.046 644 E CA 1.554 57.963 56.400 0.015 0.000 0.840 644 E CB 0.144 29.849 29.700 0.008 0.000 0.738 644 E HN 0.568 nan 8.360 nan 0.000 0.470 645 N N 0.159 118.851 118.700 -0.013 0.000 2.193 645 N HA -0.013 4.729 4.740 0.003 0.000 0.210 645 N C 0.046 175.520 175.510 -0.060 0.000 1.215 645 N CA -0.072 52.959 53.050 -0.032 0.000 0.901 645 N CB 0.669 39.142 38.487 -0.024 0.000 1.060 645 N HN 0.153 nan 8.380 nan 0.000 0.508 646 E N 2.233 122.393 120.200 -0.067 0.000 2.829 646 E HA -0.144 4.207 4.350 0.003 0.000 0.264 646 E C -0.497 175.991 176.600 -0.186 0.000 0.922 646 E CA 0.614 56.944 56.400 -0.117 0.000 0.960 646 E CB 0.505 30.129 29.700 -0.126 0.000 0.918 646 E HN -0.003 nan 8.360 nan 0.000 0.497 647 E N 3.494 123.589 120.200 -0.174 0.000 2.229 647 E HA 0.106 4.458 4.350 0.003 0.000 0.283 647 E C 0.028 176.460 176.600 -0.280 0.000 1.030 647 E CA -0.165 56.120 56.400 -0.192 0.000 0.836 647 E CB 1.827 31.450 29.700 -0.128 0.000 1.068 647 E HN 0.398 nan 8.360 nan 0.000 0.401 648 V N 2.171 121.883 119.914 -0.335 0.000 3.477 648 V HA 0.013 4.135 4.120 0.003 0.000 0.297 648 V C 1.782 177.671 176.094 -0.343 0.000 1.433 648 V CA 0.695 62.708 62.300 -0.478 0.000 1.052 648 V CB 0.212 31.636 31.823 -0.666 0.000 0.895 648 V HN 0.719 nan 8.190 nan 0.000 0.438 649 A N 2.309 124.979 122.820 -0.249 0.000 1.906 649 A HA -0.348 3.974 4.320 0.003 0.000 0.222 649 A C 1.863 179.270 177.584 -0.295 0.000 1.282 649 A CA 2.764 54.668 52.037 -0.222 0.000 0.675 649 A CB -0.679 18.237 19.000 -0.139 0.000 0.838 649 A HN 0.717 nan 8.150 nan 0.000 0.469 650 D N -0.697 119.578 120.400 -0.208 0.000 2.340 650 D HA -0.044 4.598 4.640 0.003 0.000 0.220 650 D C 0.922 177.143 176.300 -0.131 0.000 1.039 650 D CA 0.588 54.511 54.000 -0.129 0.000 0.866 650 D CB -0.358 40.449 40.800 0.011 0.000 0.913 650 D HN 0.733 nan 8.370 nan 0.000 0.523 651 R N 0.218 120.576 120.500 -0.236 0.000 2.816 651 R HA 0.696 5.038 4.340 0.003 0.000 0.382 651 R C -0.532 175.668 176.300 -0.167 0.000 1.140 651 R CA -0.686 55.359 56.100 -0.092 0.000 1.050 651 R CB 0.436 30.760 30.300 0.040 0.000 1.396 651 R HN 0.035 nan 8.270 nan 0.000 0.583 652 A N 1.161 123.663 122.820 -0.530 0.000 2.458 652 A HA 0.439 4.761 4.320 0.003 0.000 0.304 652 A C -1.875 175.287 177.584 -0.703 0.000 1.026 652 A CA -0.748 51.015 52.037 -0.456 0.000 1.021 652 A CB 0.395 19.274 19.000 -0.200 0.000 1.479 652 A HN 0.357 nan 8.150 nan 0.000 0.385 653 Y N 1.010 121.204 120.300 -0.177 0.000 2.425 653 Y HA 0.611 5.163 4.550 0.003 0.000 0.344 653 Y C 1.215 177.131 175.900 0.028 0.000 0.969 653 Y CA -0.310 57.782 58.100 -0.014 0.000 1.052 653 Y CB 1.900 40.425 38.460 0.109 0.000 1.215 653 Y HN 0.774 nan 8.280 nan 0.000 0.451 654 T N -1.609 113.051 114.554 0.176 0.000 2.908 654 T HA 0.049 4.401 4.350 0.003 0.000 0.325 654 T C 1.396 176.192 174.700 0.160 0.000 1.092 654 T CA 0.116 62.300 62.100 0.140 0.000 1.125 654 T CB 0.901 69.833 68.868 0.107 0.000 1.016 654 T HN 0.957 nan 8.240 nan 0.000 0.550 655 G N 1.194 110.013 108.800 0.032 0.000 2.432 655 G HA2 -0.238 3.724 3.960 0.003 0.000 0.219 655 G HA3 -0.238 3.724 3.960 0.003 0.000 0.219 655 G C 1.598 176.441 174.900 -0.095 0.000 1.135 655 G CA 0.548 45.483 45.100 -0.276 0.000 0.767 655 G HN 0.711 nan 8.290 nan 0.000 0.550 656 R N 0.845 121.387 120.500 0.070 0.000 2.200 656 R HA -0.002 4.340 4.340 0.003 0.000 0.234 656 R C 2.183 178.559 176.300 0.127 0.000 1.127 656 R CA 1.536 57.709 56.100 0.122 0.000 0.989 656 R CB -0.386 29.982 30.300 0.114 0.000 0.869 656 R HN 0.517 nan 8.270 nan 0.000 0.459 657 E N -1.769 118.527 120.200 0.159 0.000 2.190 657 E HA -0.049 4.303 4.350 0.003 0.000 0.191 657 E C 1.258 177.941 176.600 0.139 0.000 0.978 657 E CA 0.569 57.077 56.400 0.180 0.000 0.839 657 E CB -0.123 29.755 29.700 0.296 0.000 0.787 657 E HN 0.294 nan 8.360 nan 0.000 0.473 658 F N 2.027 121.970 119.950 -0.012 0.000 2.365 658 F HA -0.128 4.401 4.527 0.003 0.000 0.300 658 F C 1.363 177.136 175.800 -0.045 0.000 1.090 658 F CA 1.077 59.027 58.000 -0.083 0.000 1.408 658 F CB 0.233 39.225 39.000 -0.015 0.000 1.060 658 F HN -0.090 nan 8.300 nan 0.000 0.534 659 D N 0.094 120.592 120.400 0.163 0.000 2.117 659 D HA -0.157 4.485 4.640 0.003 0.000 0.198 659 D C 1.518 177.825 176.300 0.011 0.000 0.982 659 D CA 1.230 55.300 54.000 0.117 0.000 0.828 659 D CB -0.476 40.429 40.800 0.176 0.000 0.967 659 D HN 0.292 nan 8.370 nan 0.000 0.464 660 D N 0.140 120.546 120.400 0.011 0.000 2.378 660 D HA 0.023 4.665 4.640 0.003 0.000 0.227 660 D C 0.429 176.687 176.300 -0.070 0.000 1.012 660 D CA 0.179 54.174 54.000 -0.009 0.000 0.905 660 D CB 0.165 40.981 40.800 0.026 0.000 0.895 660 D HN 0.226 nan 8.370 nan 0.000 0.532 661 L N 1.901 123.027 121.223 -0.162 0.000 2.334 661 L HA 0.312 4.654 4.340 0.003 0.000 0.277 661 L C -2.049 174.698 176.870 -0.206 0.000 1.075 661 L CA -1.852 52.848 54.840 -0.234 0.000 0.804 661 L CB 1.308 43.111 42.059 -0.426 0.000 1.174 661 L HN -0.237 nan 8.230 nan 0.000 0.438 662 P HA 0.088 nan 4.420 nan 0.000 0.275 662 P C 0.981 178.178 177.300 -0.171 0.000 1.227 662 P CA -0.365 62.657 63.100 -0.129 0.000 0.781 662 P CB 1.158 32.800 31.700 -0.096 0.000 0.906 663 L N 2.133 123.275 121.223 -0.135 0.000 2.171 663 L HA -0.339 4.003 4.340 0.003 0.000 0.216 663 L C 2.439 179.161 176.870 -0.248 0.000 1.084 663 L CA 2.244 56.991 54.840 -0.155 0.000 0.771 663 L CB -0.960 41.054 42.059 -0.076 0.000 0.890 663 L HN 0.445 nan 8.230 nan 0.000 0.437 664 A N -0.383 122.323 122.820 -0.190 0.000 1.897 664 A HA -0.186 4.136 4.320 0.003 0.000 0.215 664 A C 2.120 179.584 177.584 -0.200 0.000 1.181 664 A CA 1.607 53.535 52.037 -0.181 0.000 0.620 664 A CB -0.289 18.644 19.000 -0.113 0.000 0.821 664 A HN 0.477 nan 8.150 nan 0.000 0.443 665 E N -0.490 119.591 120.200 -0.200 0.000 2.318 665 E HA -0.080 4.272 4.350 0.003 0.000 0.193 665 E C 2.175 178.600 176.600 -0.291 0.000 0.998 665 E CA 0.453 56.737 56.400 -0.192 0.000 0.859 665 E CB -0.048 29.554 29.700 -0.163 0.000 0.812 665 E HN 0.684 nan 8.360 nan 0.000 0.492 666 Q N 0.690 120.229 119.800 -0.435 0.000 1.993 666 Q HA -0.180 4.162 4.340 0.003 0.000 0.202 666 Q C 2.275 178.049 176.000 -0.377 0.000 0.984 666 Q CA 1.179 56.609 55.803 -0.620 0.000 0.837 666 Q CB -0.213 28.171 28.738 -0.591 0.000 0.902 666 Q HN 0.137 nan 8.270 nan 0.000 0.423 667 R N 0.567 120.622 120.500 -0.741 0.000 2.096 667 R HA -0.231 4.110 4.340 0.003 0.000 0.240 667 R C 2.129 178.318 176.300 -0.185 0.000 1.139 667 R CA 1.818 57.425 56.100 -0.821 0.000 0.952 667 R CB -0.042 29.786 30.300 -0.787 0.000 0.854 667 R HN 0.140 nan 8.270 nan 0.000 0.436 668 E N -0.002 120.151 120.200 -0.078 0.000 2.158 668 E HA -0.026 4.326 4.350 0.003 0.000 0.191 668 E C 1.561 178.264 176.600 0.172 0.000 0.982 668 E CA 1.274 57.745 56.400 0.118 0.000 0.823 668 E CB -0.093 29.642 29.700 0.057 0.000 0.766 668 E HN 0.396 nan 8.360 nan 0.000 0.468 669 A N -0.084 122.816 122.820 0.134 0.000 1.978 669 A HA -0.188 4.133 4.320 0.003 0.000 0.220 669 A C 2.284 180.119 177.584 0.420 0.000 1.170 669 A CA 1.442 53.623 52.037 0.239 0.000 0.636 669 A CB -0.932 18.163 19.000 0.158 0.000 0.810 669 A HN 0.488 nan 8.150 nan 0.000 0.448 670 C N -1.190 118.389 119.300 0.465 0.000 2.491 670 C HA 0.126 4.588 4.460 0.003 0.000 0.277 670 C C 2.389 177.599 174.990 0.367 0.000 1.455 670 C CA 0.995 60.307 59.018 0.490 0.000 1.758 670 C CB -1.380 26.625 27.740 0.441 0.000 1.745 670 C HN 0.621 nan 8.230 nan 0.000 0.558 671 R N 1.211 121.887 120.500 0.293 0.000 2.290 671 R HA 0.075 4.417 4.340 0.003 0.000 0.197 671 R C 2.114 178.475 176.300 0.102 0.000 0.913 671 R CA 0.736 56.908 56.100 0.121 0.000 1.040 671 R CB -0.246 30.017 30.300 -0.062 0.000 0.992 671 R HN 0.696 nan 8.270 nan 0.000 0.500 672 R N -1.818 118.780 120.500 0.164 0.000 2.215 672 R HA 0.470 4.811 4.340 0.003 0.000 0.190 672 R C 0.509 176.914 176.300 0.174 0.000 0.968 672 R CA 0.322 56.506 56.100 0.139 0.000 1.122 672 R CB -0.362 30.008 30.300 0.118 0.000 1.151 672 R HN 0.010 nan 8.270 nan 0.000 0.582 673 A N 0.548 123.500 122.820 0.220 0.000 2.448 673 A HA 0.305 4.627 4.320 0.003 0.000 0.239 673 A C 0.371 178.039 177.584 0.141 0.000 1.080 673 A CA 0.078 52.201 52.037 0.143 0.000 0.779 673 A CB 0.484 19.504 19.000 0.033 0.000 1.026 673 A HN 0.602 nan 8.150 nan 0.000 0.499 674 C N -0.659 118.667 119.300 0.043 0.000 4.015 674 C HA 0.331 4.792 4.460 0.003 0.000 0.323 674 C C 0.020 174.921 174.990 -0.149 0.000 1.724 674 C CA -0.342 58.661 59.018 -0.024 0.000 1.828 674 C CB -0.911 26.732 27.740 -0.161 0.000 3.083 674 C HN 0.783 nan 8.230 nan 0.000 0.640 675 c N 2.033 120.525 118.600 -0.179 0.000 2.789 675 c HA 0.582 5.154 4.570 0.003 0.000 0.324 675 c C -0.933 173.004 174.090 -0.255 0.000 1.042 675 c CA -0.604 55.654 56.329 -0.118 0.000 1.396 675 c CB -1.039 41.461 42.510 -0.018 0.000 1.870 675 c HN 0.428 nan 8.230 nan 0.000 0.470 676 F N 3.075 123.042 119.950 0.027 0.000 2.394 676 F HA 0.703 5.232 4.527 0.003 0.000 0.340 676 F C 0.667 176.464 175.800 -0.006 0.000 1.105 676 F CA -0.206 57.802 58.000 0.013 0.000 1.124 676 F CB 0.913 39.872 39.000 -0.068 0.000 1.145 676 F HN 0.621 nan 8.300 nan 0.000 0.505 677 A N 2.313 125.227 122.820 0.157 0.000 2.479 677 A HA 0.745 5.066 4.320 0.003 0.000 0.296 677 A C 0.460 178.095 177.584 0.086 0.000 1.121 677 A CA -1.114 50.979 52.037 0.094 0.000 0.743 677 A CB 1.221 20.255 19.000 0.056 0.000 1.323 677 A HN 0.815 nan 8.150 nan 0.000 0.415 678 R N -1.132 119.408 120.500 0.067 0.000 3.502 678 R HA -0.157 4.185 4.340 0.003 0.000 0.266 678 R C -0.036 176.320 176.300 0.093 0.000 1.077 678 R CA 0.773 56.913 56.100 0.067 0.000 0.718 678 R CB -2.103 28.237 30.300 0.067 0.000 1.120 678 R HN 1.505 nan 8.270 nan 0.000 0.457 679 V N -1.677 118.297 119.914 0.100 0.000 2.607 679 V HA 0.403 4.525 4.120 0.003 0.000 0.289 679 V C 0.668 176.850 176.094 0.146 0.000 1.053 679 V CA -0.620 61.791 62.300 0.184 0.000 0.996 679 V CB 1.770 33.656 31.823 0.104 0.000 0.995 679 V HN 0.189 nan 8.190 nan 0.000 0.476 680 E N 4.683 125.002 120.200 0.197 0.000 2.374 680 E HA 0.248 4.600 4.350 0.003 0.000 0.260 680 E C -1.734 174.794 176.600 -0.120 0.000 1.101 680 E CA -1.538 54.807 56.400 -0.092 0.000 0.907 680 E CB 0.989 30.513 29.700 -0.295 0.000 1.014 680 E HN 0.571 nan 8.360 nan 0.000 0.427 681 P HA -0.201 nan 4.420 nan 0.000 0.217 681 P C 0.785 178.007 177.300 -0.130 0.000 1.151 681 P CA 1.445 64.471 63.100 -0.123 0.000 0.849 681 P CB 0.247 31.868 31.700 -0.132 0.000 0.787 682 S N -2.230 113.361 115.700 -0.181 0.000 2.414 682 S HA -0.098 4.374 4.470 0.003 0.000 0.227 682 S C 1.642 176.149 174.600 -0.156 0.000 1.022 682 S CA 0.643 58.738 58.200 -0.174 0.000 0.958 682 S CB -1.044 62.036 63.200 -0.200 0.000 0.797 682 S HN 0.401 nan 8.310 nan 0.000 0.493 683 H N 1.439 120.428 119.070 -0.136 0.000 2.387 683 H HA 0.001 4.559 4.556 0.003 0.000 0.299 683 H C 2.108 177.257 175.328 -0.299 0.000 1.099 683 H CA 1.147 57.069 56.048 -0.210 0.000 1.315 683 H CB 0.067 29.709 29.762 -0.199 0.000 1.380 683 H HN 0.238 nan 8.280 nan 0.000 0.513 684 K N 0.251 120.586 120.400 -0.109 0.000 2.147 684 K HA -0.108 4.213 4.320 0.003 0.000 0.205 684 K C 2.343 178.835 176.600 -0.181 0.000 1.049 684 K CA 1.485 57.673 56.287 -0.165 0.000 0.936 684 K CB 0.047 32.481 32.500 -0.109 0.000 0.722 684 K HN 0.308 nan 8.250 nan 0.000 0.446 685 S N 0.133 115.739 115.700 -0.157 0.000 2.503 685 S HA 0.042 4.513 4.470 0.003 0.000 0.215 685 S C 1.791 176.274 174.600 -0.196 0.000 1.003 685 S CA 0.201 58.312 58.200 -0.149 0.000 0.910 685 S CB 0.276 63.406 63.200 -0.116 0.000 0.790 685 S HN 0.125 nan 8.310 nan 0.000 0.514 686 K N 0.839 121.098 120.400 -0.235 0.000 2.167 686 K HA 0.213 4.535 4.320 0.003 0.000 0.203 686 K C 1.806 178.102 176.600 -0.507 0.000 1.052 686 K CA 0.888 56.953 56.287 -0.371 0.000 0.956 686 K CB -0.218 32.127 32.500 -0.259 0.000 0.735 686 K HN 0.412 nan 8.250 nan 0.000 0.451 687 I N 0.351 120.698 120.570 -0.371 0.000 2.113 687 I HA -0.293 3.879 4.170 0.003 0.000 0.238 687 I C 2.027 178.050 176.117 -0.157 0.000 1.070 687 I CA 0.994 62.113 61.300 -0.301 0.000 1.332 687 I CB -0.175 37.499 38.000 -0.544 0.000 1.044 687 I HN -0.072 nan 8.210 nan 0.000 0.402 688 V N 0.679 120.495 119.914 -0.163 0.000 2.439 688 V HA -0.353 3.769 4.120 0.003 0.000 0.253 688 V C 2.430 178.491 176.094 -0.054 0.000 1.074 688 V CA 2.231 64.481 62.300 -0.084 0.000 1.076 688 V CB -0.773 30.998 31.823 -0.086 0.000 0.664 688 V HN 0.523 nan 8.190 nan 0.000 0.461 689 E N -1.023 119.105 120.200 -0.121 0.000 2.158 689 E HA -0.180 4.172 4.350 0.003 0.000 0.191 689 E C 2.126 178.731 176.600 0.008 0.000 0.982 689 E CA 0.988 57.327 56.400 -0.103 0.000 0.823 689 E CB -0.023 29.553 29.700 -0.207 0.000 0.766 689 E HN 0.680 nan 8.360 nan 0.000 0.468 690 Y N 0.289 120.580 120.300 -0.014 0.000 2.395 690 Y HA -0.010 4.542 4.550 0.003 0.000 0.293 690 Y C 2.067 177.960 175.900 -0.012 0.000 1.123 690 Y CA 0.409 58.486 58.100 -0.038 0.000 1.227 690 Y CB -0.218 38.262 38.460 0.032 0.000 1.012 690 Y HN 0.056 nan 8.280 nan 0.000 0.552 691 L N -0.717 120.643 121.223 0.229 0.000 2.217 691 L HA -0.175 4.166 4.340 0.003 0.000 0.211 691 L C 1.974 178.966 176.870 0.204 0.000 1.107 691 L CA 1.321 56.316 54.840 0.259 0.000 0.783 691 L CB -0.275 41.882 42.059 0.162 0.000 0.919 691 L HN 0.145 nan 8.230 nan 0.000 0.442 692 Q N -1.270 118.598 119.800 0.113 0.000 2.402 692 Q HA -0.021 4.321 4.340 0.003 0.000 0.206 692 Q C 2.062 178.097 176.000 0.059 0.000 0.919 692 Q CA 0.869 56.718 55.803 0.077 0.000 0.923 692 Q CB 0.279 29.040 28.738 0.038 0.000 1.048 692 Q HN 0.496 nan 8.270 nan 0.000 0.515 693 S N -0.860 114.856 115.700 0.026 0.000 2.603 693 S HA -0.020 4.452 4.470 0.003 0.000 0.220 693 S C 0.789 175.312 174.600 -0.127 0.000 0.967 693 S CA 0.143 58.315 58.200 -0.048 0.000 0.920 693 S CB -0.025 63.142 63.200 -0.056 0.000 0.773 693 S HN 0.300 nan 8.310 nan 0.000 0.529 694 Y N 1.923 122.257 120.300 0.056 0.000 2.468 694 Y HA 0.269 4.820 4.550 0.003 0.000 0.268 694 Y C 0.206 176.123 175.900 0.029 0.000 1.177 694 Y CA -1.188 56.935 58.100 0.038 0.000 1.265 694 Y CB -0.230 38.255 38.460 0.042 0.000 1.103 694 Y HN 0.204 nan 8.280 nan 0.000 0.522 695 D N 1.072 121.561 120.400 0.148 0.000 2.723 695 D HA -0.225 4.417 4.640 0.003 0.000 0.236 695 D C -0.284 176.070 176.300 0.090 0.000 1.138 695 D CA 0.784 54.841 54.000 0.094 0.000 0.676 695 D CB -0.944 39.899 40.800 0.073 0.000 1.069 695 D HN 0.491 nan 8.370 nan 0.000 0.430 696 E N -0.134 120.132 120.200 0.110 0.000 2.204 696 E HA 0.325 4.677 4.350 0.003 0.000 0.276 696 E C 0.572 177.202 176.600 0.051 0.000 0.974 696 E CA -0.958 55.488 56.400 0.077 0.000 0.815 696 E CB 1.292 31.051 29.700 0.099 0.000 1.119 696 E HN -0.008 nan 8.360 nan 0.000 0.393 697 I N 3.803 124.388 120.570 0.024 0.000 2.311 697 I HA 0.029 4.201 4.170 0.003 0.000 0.297 697 I C 0.459 176.582 176.117 0.010 0.000 1.131 697 I CA -0.051 61.255 61.300 0.010 0.000 1.289 697 I CB -0.955 37.040 38.000 -0.010 0.000 1.446 697 I HN 0.367 nan 8.210 nan 0.000 0.524 698 T N 3.062 117.626 114.554 0.017 0.000 2.889 698 T HA 0.768 5.120 4.350 0.003 0.000 0.291 698 T C 0.112 174.812 174.700 0.001 0.000 0.995 698 T CA -0.814 61.295 62.100 0.014 0.000 1.092 698 T CB 2.068 70.948 68.868 0.020 0.000 0.954 698 T HN 0.618 nan 8.240 nan 0.000 0.506 699 A N 3.210 126.028 122.820 -0.002 0.000 2.356 699 A HA 0.722 5.044 4.320 0.003 0.000 0.310 699 A C -0.463 177.118 177.584 -0.005 0.000 1.075 699 A CA -1.002 51.028 52.037 -0.010 0.000 0.746 699 A CB 1.404 20.391 19.000 -0.021 0.000 1.221 699 A HN 0.885 nan 8.150 nan 0.000 0.443 700 M N 2.106 121.701 119.600 -0.008 0.000 2.318 700 M HA 0.604 5.086 4.480 0.003 0.000 0.347 700 M C -0.609 175.696 176.300 0.008 0.000 1.175 700 M CA 0.338 55.637 55.300 -0.002 0.000 1.075 700 M CB 1.402 33.993 32.600 -0.015 0.000 1.614 700 M HN 0.529 nan 8.290 nan 0.000 0.456 701 T N 3.818 118.394 114.554 0.037 0.000 2.815 701 T HA 0.793 5.145 4.350 0.003 0.000 0.289 701 T C -0.106 174.632 174.700 0.063 0.000 1.000 701 T CA -0.745 61.391 62.100 0.061 0.000 0.958 701 T CB 1.012 69.965 68.868 0.142 0.000 0.944 701 T HN 0.851 nan 8.240 nan 0.000 0.442 702 G N 0.997 109.821 108.800 0.041 0.000 3.140 702 G HA2 0.669 4.631 3.960 0.003 0.000 0.271 702 G HA3 0.669 4.631 3.960 0.003 0.000 0.271 702 G C -0.430 174.491 174.900 0.035 0.000 1.370 702 G CA -0.719 44.399 45.100 0.030 0.000 1.014 702 G HN 0.599 nan 8.290 nan 0.000 0.541 703 D N -2.270 118.145 120.400 0.025 0.000 2.337 703 D HA 0.164 4.806 4.640 0.003 0.000 0.349 703 D C 0.771 177.085 176.300 0.022 0.000 1.123 703 D CA 0.597 54.614 54.000 0.029 0.000 0.887 703 D CB 0.128 40.951 40.800 0.038 0.000 1.396 703 D HN 0.767 nan 8.370 nan 0.000 0.510 704 G N 0.609 109.414 108.800 0.007 0.000 2.568 704 G HA2 0.451 4.413 3.960 0.003 0.000 0.313 704 G HA3 0.451 4.413 3.960 0.003 0.000 0.313 704 G C 0.837 175.718 174.900 -0.032 0.000 1.227 704 G CA -0.154 44.941 45.100 -0.008 0.000 0.979 704 G HN 0.260 nan 8.290 nan 0.000 0.486 705 V N 0.027 119.899 119.914 -0.069 0.000 2.970 705 V HA -0.066 4.056 4.120 0.003 0.000 0.260 705 V C 1.859 177.889 176.094 -0.108 0.000 1.100 705 V CA 1.894 64.133 62.300 -0.101 0.000 1.122 705 V CB -0.655 31.035 31.823 -0.222 0.000 0.721 705 V HN 0.736 nan 8.190 nan 0.000 0.483 706 N N -0.193 118.444 118.700 -0.104 0.000 2.494 706 N HA -0.138 4.604 4.740 0.003 0.000 0.182 706 N C 1.087 176.552 175.510 -0.074 0.000 1.076 706 N CA 1.307 54.298 53.050 -0.097 0.000 0.908 706 N CB -0.444 37.984 38.487 -0.099 0.000 0.967 706 N HN 0.535 nan 8.380 nan 0.000 0.449 707 D N 1.085 121.452 120.400 -0.055 0.000 2.289 707 D HA 0.099 4.740 4.640 0.003 0.000 0.207 707 D C 1.851 178.125 176.300 -0.043 0.000 0.966 707 D CA 0.582 54.556 54.000 -0.043 0.000 0.868 707 D CB 0.062 40.847 40.800 -0.025 0.000 0.943 707 D HN 0.377 nan 8.370 nan 0.000 0.514 708 A N 2.104 124.899 122.820 -0.042 0.000 1.873 708 A HA -0.149 4.172 4.320 0.003 0.000 0.218 708 A C -0.228 177.333 177.584 -0.039 0.000 1.193 708 A CA 1.402 53.420 52.037 -0.033 0.000 0.629 708 A CB -1.534 17.450 19.000 -0.027 0.000 0.826 708 A HN 0.160 nan 8.150 nan 0.000 0.447 709 P HA -0.246 nan 4.420 nan 0.000 0.212 709 P C 1.807 179.073 177.300 -0.057 0.000 1.174 709 P CA 2.443 65.509 63.100 -0.057 0.000 0.934 709 P CB -0.254 31.402 31.700 -0.072 0.000 0.791 710 A N -1.247 121.534 122.820 -0.065 0.000 2.024 710 A HA -0.165 4.157 4.320 0.003 0.000 0.220 710 A C 2.256 179.812 177.584 -0.046 0.000 1.164 710 A CA 1.359 53.357 52.037 -0.065 0.000 0.643 710 A CB -1.694 17.260 19.000 -0.077 0.000 0.806 710 A HN 0.139 nan 8.150 nan 0.000 0.451 711 L N -1.058 120.144 121.223 -0.036 0.000 2.275 711 L HA -0.133 4.208 4.340 0.003 0.000 0.215 711 L C 2.536 179.393 176.870 -0.023 0.000 1.119 711 L CA 1.785 56.610 54.840 -0.024 0.000 0.790 711 L CB -0.105 41.944 42.059 -0.017 0.000 0.919 711 L HN 0.571 nan 8.230 nan 0.000 0.443 712 K N -0.339 120.045 120.400 -0.027 0.000 2.287 712 K HA -0.113 4.209 4.320 0.003 0.000 0.199 712 K C 2.121 178.705 176.600 -0.027 0.000 1.061 712 K CA 0.291 56.563 56.287 -0.024 0.000 0.976 712 K CB 0.300 32.787 32.500 -0.023 0.000 0.898 712 K HN -0.142 nan 8.250 nan 0.000 0.492 713 K N 1.559 121.937 120.400 -0.036 0.000 2.097 713 K HA 0.007 4.329 4.320 0.003 0.000 0.206 713 K C 0.730 177.311 176.600 -0.031 0.000 1.049 713 K CA 1.083 57.347 56.287 -0.039 0.000 0.933 713 K CB -0.409 32.057 32.500 -0.056 0.000 0.717 713 K HN 0.339 nan 8.250 nan 0.000 0.442 714 A N 0.455 123.258 122.820 -0.030 0.000 2.275 714 A HA 0.019 4.341 4.320 0.003 0.000 0.276 714 A C 1.088 178.663 177.584 -0.013 0.000 1.232 714 A CA 0.422 52.447 52.037 -0.021 0.000 0.814 714 A CB -0.109 18.878 19.000 -0.020 0.000 1.145 714 A HN 0.331 nan 8.150 nan 0.000 0.508 715 E N -1.576 118.619 120.200 -0.009 0.000 2.216 715 E HA 0.250 4.602 4.350 0.003 0.000 0.192 715 E C 0.139 176.733 176.600 -0.008 0.000 0.973 715 E CA 0.713 57.109 56.400 -0.006 0.000 0.851 715 E CB 0.363 30.061 29.700 -0.003 0.000 0.804 715 E HN 0.473 nan 8.360 nan 0.000 0.477 716 I N -0.162 120.400 120.570 -0.012 0.000 2.611 716 I HA 0.450 4.622 4.170 0.003 0.000 0.287 716 I C -0.715 175.391 176.117 -0.017 0.000 1.184 716 I CA -0.878 60.413 61.300 -0.015 0.000 1.054 716 I CB 1.376 39.366 38.000 -0.018 0.000 1.257 716 I HN 0.039 nan 8.210 nan 0.000 0.435 717 G N 7.681 116.471 108.800 -0.016 0.000 2.372 717 G HA2 0.627 4.588 3.960 0.003 0.000 0.283 717 G HA3 0.627 4.588 3.960 0.003 0.000 0.283 717 G C -0.860 174.030 174.900 -0.017 0.000 1.177 717 G CA -0.430 44.661 45.100 -0.015 0.000 0.842 717 G HN 0.569 nan 8.290 nan 0.000 0.503 718 I N 1.278 121.837 120.570 -0.018 0.000 2.498 718 I HA 0.604 4.775 4.170 0.003 0.000 0.290 718 I C 0.312 176.426 176.117 -0.006 0.000 1.032 718 I CA -0.657 60.628 61.300 -0.025 0.000 1.073 718 I CB 2.247 40.212 38.000 -0.058 0.000 1.251 718 I HN 0.596 nan 8.210 nan 0.000 0.426 719 A N 6.619 129.438 122.820 -0.001 0.000 2.384 719 A HA 0.904 5.226 4.320 0.003 0.000 0.312 719 A C -0.526 177.071 177.584 0.022 0.000 1.113 719 A CA -0.786 51.260 52.037 0.015 0.000 0.779 719 A CB 1.497 20.505 19.000 0.014 0.000 1.307 719 A HN 0.560 nan 8.150 nan 0.000 0.436 720 M N 1.333 120.954 119.600 0.036 0.000 2.250 720 M HA 0.230 4.712 4.480 0.003 0.000 0.344 720 M C 1.548 177.868 176.300 0.033 0.000 1.150 720 M CA -0.072 55.254 55.300 0.043 0.000 1.147 720 M CB 0.540 33.174 32.600 0.056 0.000 1.498 720 M HN 0.938 nan 8.290 nan 0.000 0.461 721 G N 1.149 109.968 108.800 0.031 0.000 2.470 721 G HA2 -0.107 3.855 3.960 0.003 0.000 0.220 721 G HA3 -0.107 3.855 3.960 0.003 0.000 0.220 721 G C 0.968 175.883 174.900 0.026 0.000 1.121 721 G CA 0.712 45.826 45.100 0.025 0.000 0.766 721 G HN 0.718 nan 8.290 nan 0.000 0.553 722 S N 0.043 115.763 115.700 0.033 0.000 2.539 722 S HA 0.367 4.838 4.470 0.003 0.000 0.221 722 S C 1.438 176.061 174.600 0.038 0.000 0.987 722 S CA -0.100 58.121 58.200 0.035 0.000 0.929 722 S CB 0.695 63.920 63.200 0.041 0.000 0.832 722 S HN 0.519 nan 8.310 nan 0.000 0.492 723 G N 2.731 111.554 108.800 0.038 0.000 2.750 723 G HA2 0.324 4.286 3.960 0.003 0.000 0.250 723 G HA3 0.324 4.286 3.960 0.003 0.000 0.250 723 G C 0.371 175.299 174.900 0.046 0.000 1.230 723 G CA -0.066 45.058 45.100 0.040 0.000 0.883 723 G HN 0.394 nan 8.290 nan 0.000 0.573 724 T N -2.414 112.173 114.554 0.056 0.000 2.856 724 T HA 0.395 4.747 4.350 0.003 0.000 0.306 724 T C 1.687 176.429 174.700 0.069 0.000 1.062 724 T CA 0.300 62.450 62.100 0.082 0.000 1.083 724 T CB 1.248 70.183 68.868 0.111 0.000 0.984 724 T HN 0.952 nan 8.240 nan 0.000 0.542 725 A N 1.201 124.067 122.820 0.077 0.000 1.933 725 A HA 0.002 4.324 4.320 0.003 0.000 0.218 725 A C 2.368 179.985 177.584 0.057 0.000 1.175 725 A CA 1.619 53.685 52.037 0.050 0.000 0.628 725 A CB -1.131 17.887 19.000 0.031 0.000 0.814 725 A HN 1.243 nan 8.150 nan 0.000 0.444 726 V N -1.443 118.527 119.914 0.093 0.000 3.217 726 V HA 0.176 4.297 4.120 0.003 0.000 0.264 726 V C 2.141 178.261 176.094 0.043 0.000 1.135 726 V CA 1.790 64.137 62.300 0.079 0.000 1.142 726 V CB -0.391 31.509 31.823 0.128 0.000 0.754 726 V HN 0.517 nan 8.190 nan 0.000 0.484 727 A N 0.141 122.984 122.820 0.038 0.000 1.935 727 A HA 0.059 4.381 4.320 0.003 0.000 0.214 727 A C 2.216 179.810 177.584 0.016 0.000 1.178 727 A CA 1.169 53.217 52.037 0.020 0.000 0.640 727 A CB -0.335 18.677 19.000 0.019 0.000 0.825 727 A HN 0.548 nan 8.150 nan 0.000 0.447 728 K N -0.555 119.858 120.400 0.021 0.000 2.148 728 K HA -0.066 4.255 4.320 0.003 0.000 0.204 728 K C 1.644 178.249 176.600 0.009 0.000 1.050 728 K CA 1.617 57.912 56.287 0.014 0.000 0.942 728 K CB -0.265 32.244 32.500 0.015 0.000 0.724 728 K HN 0.367 nan 8.250 nan 0.000 0.446 729 T N 0.607 115.168 114.554 0.013 0.000 3.055 729 T HA 0.008 4.360 4.350 0.003 0.000 0.265 729 T C 1.507 176.210 174.700 0.004 0.000 1.111 729 T CA 0.885 62.990 62.100 0.009 0.000 1.118 729 T CB 0.090 68.967 68.868 0.015 0.000 0.909 729 T HN 0.249 nan 8.240 nan 0.000 0.501 730 A N 1.337 124.159 122.820 0.004 0.000 2.275 730 A HA 0.428 4.750 4.320 0.003 0.000 0.212 730 A C 1.191 178.771 177.584 -0.006 0.000 1.201 730 A CA -0.232 51.803 52.037 -0.003 0.000 0.843 730 A CB 0.025 19.021 19.000 -0.006 0.000 0.873 730 A HN 0.446 nan 8.150 nan 0.000 0.492 731 S N -1.553 114.145 115.700 -0.004 0.000 2.600 731 S HA 0.614 5.086 4.470 0.003 0.000 0.300 731 S C -0.015 174.582 174.600 -0.006 0.000 1.087 731 S CA -0.468 57.729 58.200 -0.006 0.000 0.965 731 S CB 1.682 64.879 63.200 -0.004 0.000 1.089 731 S HN 0.050 nan 8.310 nan 0.000 0.496 732 E N 0.352 120.547 120.200 -0.008 0.000 2.364 732 E HA 0.364 4.716 4.350 0.003 0.000 0.196 732 E C 0.066 176.662 176.600 -0.008 0.000 0.990 732 E CA 0.404 56.800 56.400 -0.007 0.000 0.886 732 E CB 0.301 29.997 29.700 -0.007 0.000 0.866 732 E HN 0.699 nan 8.360 nan 0.000 0.493 733 M N 0.513 120.105 119.600 -0.013 0.000 2.464 733 M HA 0.448 4.930 4.480 0.003 0.000 0.308 733 M C -1.691 174.600 176.300 -0.015 0.000 1.127 733 M CA -0.878 54.412 55.300 -0.016 0.000 0.913 733 M CB 2.047 34.630 32.600 -0.028 0.000 1.689 733 M HN -0.290 nan 8.290 nan 0.000 0.445 734 V N 5.439 125.346 119.914 -0.011 0.000 2.483 734 V HA 0.356 4.478 4.120 0.003 0.000 0.297 734 V C -0.443 175.647 176.094 -0.007 0.000 1.027 734 V CA -0.675 61.622 62.300 -0.005 0.000 0.855 734 V CB 1.823 33.647 31.823 0.001 0.000 0.995 734 V HN 0.780 nan 8.190 nan 0.000 0.424 735 L N 4.520 125.739 121.223 -0.006 0.000 2.404 735 L HA 0.258 4.599 4.340 0.003 0.000 0.277 735 L C 1.844 178.720 176.870 0.010 0.000 1.184 735 L CA -0.089 54.748 54.840 -0.004 0.000 1.013 735 L CB 0.509 42.564 42.059 -0.007 0.000 1.318 735 L HN 0.880 nan 8.230 nan 0.000 0.435 736 A N 2.522 125.346 122.820 0.008 0.000 1.997 736 A HA -0.236 4.086 4.320 0.003 0.000 0.221 736 A C 1.782 179.376 177.584 0.017 0.000 1.172 736 A CA 2.191 54.235 52.037 0.012 0.000 0.645 736 A CB -0.274 18.732 19.000 0.009 0.000 0.813 736 A HN 0.842 nan 8.150 nan 0.000 0.454 737 D N -3.161 117.250 120.400 0.019 0.000 2.369 737 D HA 0.057 4.698 4.640 0.003 0.000 0.211 737 D C -0.171 176.151 176.300 0.036 0.000 1.077 737 D CA 0.710 54.725 54.000 0.025 0.000 0.842 737 D CB -0.207 40.607 40.800 0.023 0.000 0.947 737 D HN 0.325 nan 8.370 nan 0.000 0.509 738 D N 0.356 120.780 120.400 0.041 0.000 2.978 738 D HA -0.229 4.413 4.640 0.003 0.000 0.205 738 D C -0.131 176.220 176.300 0.085 0.000 1.093 738 D CA 0.597 54.634 54.000 0.062 0.000 1.006 738 D CB -2.183 38.652 40.800 0.059 0.000 1.116 738 D HN 0.536 nan 8.370 nan 0.000 0.419 739 N N 0.076 118.815 118.700 0.064 0.000 2.396 739 N HA -0.024 4.718 4.740 0.003 0.000 0.287 739 N C 1.223 176.791 175.510 0.096 0.000 1.316 739 N CA -0.130 52.965 53.050 0.074 0.000 0.972 739 N CB -0.128 38.383 38.487 0.039 0.000 1.341 739 N HN 0.067 nan 8.380 nan 0.000 0.487 740 F N 3.049 122.997 119.950 -0.003 0.000 2.202 740 F HA -0.228 4.301 4.527 0.003 0.000 0.301 740 F C 2.594 178.391 175.800 -0.006 0.000 1.082 740 F CA 1.621 59.618 58.000 -0.006 0.000 1.313 740 F CB -0.143 38.851 39.000 -0.010 0.000 1.024 740 F HN 0.546 nan 8.300 nan 0.000 0.495 741 S N -2.031 113.739 115.700 0.117 0.000 2.474 741 S HA -0.197 4.275 4.470 0.003 0.000 0.235 741 S C 1.964 176.540 174.600 -0.040 0.000 0.997 741 S CA 1.315 59.544 58.200 0.049 0.000 0.949 741 S CB -1.152 62.089 63.200 0.069 0.000 0.766 741 S HN 0.443 nan 8.310 nan 0.000 0.517 742 T N 0.597 115.116 114.554 -0.057 0.000 3.160 742 T HA 0.252 4.604 4.350 0.003 0.000 0.257 742 T C 1.337 175.968 174.700 -0.115 0.000 1.147 742 T CA 0.300 62.361 62.100 -0.064 0.000 1.064 742 T CB -0.728 68.118 68.868 -0.036 0.000 0.949 742 T HN 0.529 nan 8.240 nan 0.000 0.526 743 I N 0.075 120.521 120.570 -0.207 0.000 2.277 743 I HA -0.074 4.098 4.170 0.003 0.000 0.243 743 I C 2.450 178.476 176.117 -0.150 0.000 1.094 743 I CA 0.661 61.818 61.300 -0.238 0.000 1.393 743 I CB -0.375 37.359 38.000 -0.443 0.000 1.078 743 I HN 0.150 nan 8.210 nan 0.000 0.417 744 V N 1.619 121.459 119.914 -0.123 0.000 2.252 744 V HA -0.367 3.755 4.120 0.003 0.000 0.249 744 V C 2.846 178.911 176.094 -0.047 0.000 1.056 744 V CA 2.243 64.505 62.300 -0.062 0.000 1.022 744 V CB -1.247 30.560 31.823 -0.027 0.000 0.641 744 V HN 0.510 nan 8.190 nan 0.000 0.445 745 A N 0.070 122.864 122.820 -0.043 0.000 1.892 745 A HA -0.228 4.094 4.320 0.003 0.000 0.218 745 A C 2.394 179.958 177.584 -0.034 0.000 1.188 745 A CA 2.639 54.657 52.037 -0.030 0.000 0.631 745 A CB -0.950 18.034 19.000 -0.026 0.000 0.822 745 A HN 0.673 nan 8.150 nan 0.000 0.447 746 A N -0.877 121.914 122.820 -0.050 0.000 2.015 746 A HA 0.112 4.434 4.320 0.003 0.000 0.219 746 A C 2.138 179.697 177.584 -0.042 0.000 1.163 746 A CA 1.587 53.596 52.037 -0.046 0.000 0.646 746 A CB -0.657 18.307 19.000 -0.060 0.000 0.806 746 A HN 0.430 nan 8.150 nan 0.000 0.448 747 V N -0.181 119.704 119.914 -0.049 0.000 2.453 747 V HA -0.191 3.931 4.120 0.003 0.000 0.247 747 V C 2.343 178.419 176.094 -0.029 0.000 1.048 747 V CA 1.953 64.228 62.300 -0.042 0.000 1.049 747 V CB -0.647 31.148 31.823 -0.047 0.000 0.672 747 V HN 0.745 nan 8.190 nan 0.000 0.457 748 E N 0.035 120.220 120.200 -0.024 0.000 2.347 748 E HA -0.228 4.124 4.350 0.003 0.000 0.196 748 E C 2.053 178.649 176.600 -0.007 0.000 1.008 748 E CA 0.797 57.188 56.400 -0.013 0.000 0.852 748 E CB 0.223 29.918 29.700 -0.009 0.000 0.783 748 E HN 0.641 nan 8.360 nan 0.000 0.505 749 E N -0.687 119.507 120.200 -0.011 0.000 2.190 749 E HA 0.010 4.362 4.350 0.003 0.000 0.191 749 E C 1.784 178.383 176.600 -0.000 0.000 0.978 749 E CA 1.077 57.473 56.400 -0.006 0.000 0.839 749 E CB -0.216 29.477 29.700 -0.011 0.000 0.787 749 E HN 0.270 nan 8.360 nan 0.000 0.473 750 G N 0.280 109.078 108.800 -0.003 0.000 2.448 750 G HA2 -0.206 3.756 3.960 0.003 0.000 0.218 750 G HA3 -0.206 3.756 3.960 0.003 0.000 0.218 750 G C 1.602 176.518 174.900 0.027 0.000 1.135 750 G CA 0.432 45.537 45.100 0.008 0.000 0.784 750 G HN 0.121 nan 8.290 nan 0.000 0.543 751 R N 0.333 120.839 120.500 0.010 0.000 2.055 751 R HA 0.159 4.501 4.340 0.003 0.000 0.226 751 R C 3.092 179.424 176.300 0.053 0.000 1.135 751 R CA 0.912 57.023 56.100 0.019 0.000 0.959 751 R CB -0.491 29.805 30.300 -0.008 0.000 0.854 751 R HN 0.281 nan 8.270 nan 0.000 0.431 752 A N 1.779 124.615 122.820 0.027 0.000 1.884 752 A HA -0.233 4.088 4.320 0.003 0.000 0.219 752 A C 2.195 179.788 177.584 0.015 0.000 1.197 752 A CA 1.663 53.712 52.037 0.020 0.000 0.637 752 A CB -0.780 18.225 19.000 0.009 0.000 0.827 752 A HN 0.226 nan 8.150 nan 0.000 0.450 753 I N -2.283 118.296 120.570 0.014 0.000 2.179 753 I HA -0.280 3.892 4.170 0.003 0.000 0.242 753 I C 2.473 178.579 176.117 -0.019 0.000 1.088 753 I CA 1.948 63.244 61.300 -0.007 0.000 1.357 753 I CB -0.377 37.624 38.000 0.002 0.000 1.051 753 I HN 0.591 nan 8.210 nan 0.000 0.409 754 Y N 1.950 122.200 120.300 -0.084 0.000 2.207 754 Y HA -0.324 4.228 4.550 0.003 0.000 0.287 754 Y C 2.353 178.174 175.900 -0.132 0.000 1.156 754 Y CA 1.758 59.796 58.100 -0.104 0.000 1.182 754 Y CB -0.236 38.179 38.460 -0.074 0.000 0.979 754 Y HN 0.206 nan 8.280 nan 0.000 0.521 755 N N 0.686 119.416 118.700 0.050 0.000 2.025 755 N HA -0.217 4.525 4.740 0.003 0.000 0.194 755 N C 1.353 176.744 175.510 -0.198 0.000 1.044 755 N CA 1.716 54.741 53.050 -0.041 0.000 0.851 755 N CB -0.714 37.784 38.487 0.018 0.000 1.036 755 N HN 0.451 nan 8.380 nan 0.000 0.422 756 N N 0.292 118.884 118.700 -0.180 0.000 2.453 756 N HA -0.044 4.698 4.740 0.003 0.000 0.183 756 N C 1.404 176.554 175.510 -0.599 0.000 1.041 756 N CA 0.533 53.448 53.050 -0.225 0.000 0.900 756 N CB -0.015 38.425 38.487 -0.079 0.000 0.961 756 N HN 0.391 nan 8.380 nan 0.000 0.443 757 M N 0.378 119.564 119.600 -0.691 0.000 2.514 757 M HA -0.016 4.466 4.480 0.003 0.000 0.258 757 M C 1.743 177.479 176.300 -0.940 0.000 1.119 757 M CA 0.611 55.243 55.300 -1.113 0.000 1.111 757 M CB 0.194 32.422 32.600 -0.620 0.000 1.390 757 M HN 0.078 nan 8.290 nan 0.000 0.475 758 K N -0.414 119.555 120.400 -0.718 0.000 2.400 758 K HA -0.053 4.269 4.320 0.003 0.000 0.194 758 K C 1.662 178.026 176.600 -0.392 0.000 1.033 758 K CA 0.628 56.586 56.287 -0.548 0.000 1.021 758 K CB 0.036 32.224 32.500 -0.521 0.000 0.808 758 K HN 0.292 nan 8.250 nan 0.000 0.505 759 Q N 0.530 120.086 119.800 -0.407 0.000 2.165 759 Q HA -0.022 4.319 4.340 0.003 0.000 0.197 759 Q C 1.366 177.310 176.000 -0.093 0.000 0.952 759 Q CA 0.855 56.531 55.803 -0.212 0.000 0.848 759 Q CB 0.082 28.727 28.738 -0.155 0.000 0.931 759 Q HN 0.551 nan 8.270 nan 0.000 0.470 760 F N -1.871 118.050 119.950 -0.049 0.000 2.776 760 F HA 0.296 4.825 4.527 0.002 0.000 0.300 760 F C 1.206 176.993 175.800 -0.022 0.000 1.116 760 F CA -0.070 57.947 58.000 0.028 0.000 1.375 760 F CB -0.242 38.780 39.000 0.037 0.000 1.109 760 F HN -0.036 nan 8.300 nan 0.000 0.585 761 I N 0.177 120.719 120.570 -0.047 0.000 3.251 761 I HA 0.016 4.188 4.170 0.003 0.000 0.277 761 I C 2.007 178.020 176.117 -0.174 0.000 1.268 761 I CA 0.486 61.739 61.300 -0.078 0.000 1.449 761 I CB -0.178 37.677 38.000 -0.241 0.000 1.083 761 I HN 0.165 nan 8.210 nan 0.000 0.464 762 R N -0.518 119.880 120.500 -0.170 0.000 2.123 762 R HA -0.050 4.292 4.340 0.003 0.000 0.209 762 R C 2.248 178.431 176.300 -0.195 0.000 1.078 762 R CA 0.559 56.481 56.100 -0.296 0.000 1.028 762 R CB -0.416 29.729 30.300 -0.258 0.000 0.939 762 R HN 0.199 nan 8.270 nan 0.000 0.463 763 Y N 1.828 122.045 120.300 -0.138 0.000 2.256 763 Y HA -0.104 4.448 4.550 0.003 0.000 0.288 763 Y C 1.588 177.452 175.900 -0.059 0.000 1.155 763 Y CA 1.308 59.363 58.100 -0.075 0.000 1.203 763 Y CB -0.111 38.340 38.460 -0.015 0.000 0.980 763 Y HN -0.048 nan 8.280 nan 0.000 0.530 764 L N -0.207 120.868 121.223 -0.246 0.000 2.446 764 L HA 0.018 4.360 4.340 0.003 0.000 0.219 764 L C 1.920 178.673 176.870 -0.195 0.000 1.116 764 L CA 0.508 55.164 54.840 -0.307 0.000 0.844 764 L CB 0.038 42.015 42.059 -0.137 0.000 0.970 764 L HN 0.279 nan 8.230 nan 0.000 0.457 765 I N -0.591 119.867 120.570 -0.187 0.000 3.941 765 I HA -0.049 4.123 4.170 0.003 0.000 0.335 765 I C 1.917 177.931 176.117 -0.170 0.000 1.402 765 I CA 0.281 61.500 61.300 -0.136 0.000 1.112 765 I CB 0.368 38.316 38.000 -0.087 0.000 1.043 765 I HN 0.172 nan 8.210 nan 0.000 0.395 766 S N -0.651 114.936 115.700 -0.189 0.000 2.475 766 S HA -0.073 4.399 4.470 0.003 0.000 0.224 766 S C 1.952 176.536 174.600 -0.027 0.000 1.042 766 S CA 0.722 58.894 58.200 -0.047 0.000 0.935 766 S CB -0.157 63.026 63.200 -0.028 0.000 0.801 766 S HN 0.477 nan 8.310 nan 0.000 0.509 767 S N 1.112 116.751 115.700 -0.103 0.000 2.527 767 S HA 0.149 4.621 4.470 0.003 0.000 0.222 767 S C 1.440 176.004 174.600 -0.060 0.000 0.985 767 S CA 0.479 58.626 58.200 -0.089 0.000 0.921 767 S CB -0.754 62.349 63.200 -0.162 0.000 0.772 767 S HN 0.668 nan 8.310 nan 0.000 0.529 768 N N 0.865 119.534 118.700 -0.052 0.000 2.278 768 N HA 0.059 4.801 4.740 0.003 0.000 0.181 768 N C 1.105 176.619 175.510 0.006 0.000 1.023 768 N CA 1.124 54.163 53.050 -0.018 0.000 0.862 768 N CB 0.061 38.546 38.487 -0.004 0.000 1.003 768 N HN 0.223 nan 8.380 nan 0.000 0.431 769 V N 0.247 120.185 119.914 0.039 0.000 3.380 769 V HA 0.061 4.182 4.120 0.003 0.000 0.268 769 V C 1.849 177.939 176.094 -0.007 0.000 1.168 769 V CA 1.146 63.462 62.300 0.027 0.000 1.156 769 V CB -0.120 31.749 31.823 0.076 0.000 0.785 769 V HN 0.353 nan 8.190 nan 0.000 0.487 770 G N -0.668 108.132 108.800 -0.000 0.000 3.088 770 G HA2 0.049 4.011 3.960 0.003 0.000 0.217 770 G HA3 0.049 4.011 3.960 0.003 0.000 0.217 770 G C 1.244 176.136 174.900 -0.015 0.000 1.159 770 G CA 0.037 45.130 45.100 -0.012 0.000 0.760 770 G HN 0.518 nan 8.290 nan 0.000 0.550 771 E N -0.226 119.968 120.200 -0.010 0.000 2.132 771 E HA 0.024 4.376 4.350 0.003 0.000 0.193 771 E C 2.371 178.976 176.600 0.009 0.000 0.951 771 E CA 0.103 56.503 56.400 -0.000 0.000 0.843 771 E CB 0.308 30.009 29.700 0.001 0.000 0.807 771 E HN 0.186 nan 8.360 nan 0.000 0.467 772 V N 1.675 121.586 119.914 -0.005 0.000 3.026 772 V HA -0.173 3.949 4.120 0.003 0.000 0.265 772 V C 2.177 178.276 176.094 0.010 0.000 1.121 772 V CA 1.194 63.487 62.300 -0.011 0.000 1.142 772 V CB -0.374 31.409 31.823 -0.065 0.000 0.730 772 V HN 0.178 nan 8.190 nan 0.000 0.503 773 V N -0.083 119.839 119.914 0.013 0.000 2.255 773 V HA -0.243 3.878 4.120 0.003 0.000 0.243 773 V C 2.427 178.586 176.094 0.109 0.000 1.038 773 V CA 2.538 64.871 62.300 0.055 0.000 1.008 773 V CB -0.117 31.713 31.823 0.011 0.000 0.645 773 V HN 0.676 nan 8.190 nan 0.000 0.449 774 C N 1.047 120.382 119.300 0.057 0.000 2.403 774 C HA -0.118 4.344 4.460 0.003 0.000 0.277 774 C C 2.279 177.316 174.990 0.078 0.000 1.248 774 C CA 1.115 60.163 59.018 0.050 0.000 1.762 774 C CB -1.470 26.282 27.740 0.019 0.000 2.014 774 C HN 0.616 nan 8.230 nan 0.000 0.486 775 I N -0.000 120.627 120.570 0.096 0.000 3.605 775 I HA 0.109 4.281 4.170 0.003 0.000 0.301 775 I C 1.163 177.407 176.117 0.212 0.000 1.267 775 I CA 0.954 62.320 61.300 0.110 0.000 1.236 775 I CB -1.731 36.319 38.000 0.084 0.000 1.010 775 I HN 0.334 nan 8.210 nan 0.000 0.491 776 F N -0.132 119.813 119.950 -0.009 0.000 2.781 776 F HA 0.291 4.818 4.527 0.001 0.000 0.322 776 F C 1.395 177.200 175.800 0.008 0.000 1.108 776 F CA 0.171 58.167 58.000 -0.005 0.000 1.179 776 F CB 0.397 39.393 39.000 -0.007 0.000 1.072 776 F HN -0.140 nan 8.300 nan 0.000 0.545 777 L N -2.048 119.216 121.223 0.068 0.000 2.730 777 L HA 0.183 4.524 4.340 0.003 0.000 0.236 777 L C 1.646 178.519 176.870 0.004 0.000 1.061 777 L CA 0.560 55.412 54.840 0.019 0.000 0.898 777 L CB -0.073 42.010 42.059 0.041 0.000 1.270 777 L HN -0.137 nan 8.230 nan 0.000 0.500 778 T N -0.181 114.385 114.554 0.021 0.000 3.324 778 T HA 0.400 4.751 4.350 0.003 0.000 0.250 778 T C 0.793 175.524 174.700 0.050 0.000 1.059 778 T CA 0.920 63.036 62.100 0.026 0.000 0.951 778 T CB -0.001 68.886 68.868 0.031 0.000 1.030 778 T HN 0.399 nan 8.240 nan 0.000 0.576 779 A N -0.793 122.031 122.820 0.007 0.000 2.442 779 A HA 0.688 5.010 4.320 0.003 0.000 0.158 779 A C 1.594 179.106 177.584 -0.119 0.000 1.759 779 A CA 0.517 52.545 52.037 -0.015 0.000 1.304 779 A CB -0.378 18.571 19.000 -0.086 0.000 1.570 779 A HN 0.432 nan 8.150 nan 0.000 0.440 780 A N -0.523 122.173 122.820 -0.206 0.000 2.390 780 A HA 0.630 4.952 4.320 0.003 0.000 0.232 780 A C 1.075 178.600 177.584 -0.098 0.000 1.233 780 A CA 0.530 52.415 52.037 -0.253 0.000 0.907 780 A CB -0.181 18.526 19.000 -0.489 0.000 0.967 780 A HN 0.362 nan 8.150 nan 0.000 0.512 781 L N -1.758 119.439 121.223 -0.043 0.000 3.135 781 L HA 0.295 4.637 4.340 0.003 0.000 0.279 781 L C 1.410 178.287 176.870 0.011 0.000 1.200 781 L CA 0.410 55.245 54.840 -0.008 0.000 1.016 781 L CB 0.542 42.597 42.059 -0.006 0.000 1.391 781 L HN 0.452 nan 8.230 nan 0.000 0.588 782 G N 1.227 110.045 108.800 0.030 0.000 2.168 782 G HA2 -0.288 3.674 3.960 0.003 0.000 0.257 782 G HA3 -0.288 3.674 3.960 0.003 0.000 0.257 782 G C 0.386 175.290 174.900 0.006 0.000 0.997 782 G CA 0.198 45.316 45.100 0.031 0.000 0.708 782 G HN 0.251 nan 8.290 nan 0.000 0.520 783 L N 0.355 121.580 121.223 0.003 0.000 2.473 783 L HA 0.266 4.608 4.340 0.003 0.000 0.268 783 L C -1.326 175.520 176.870 -0.039 0.000 1.215 783 L CA -1.765 53.055 54.840 -0.034 0.000 0.823 783 L CB 0.046 42.073 42.059 -0.052 0.000 1.099 783 L HN -0.079 nan 8.230 nan 0.000 0.483 784 P HA -0.055 nan 4.420 nan 0.000 0.265 784 P C -0.812 176.464 177.300 -0.040 0.000 1.187 784 P CA -0.142 62.914 63.100 -0.074 0.000 0.766 784 P CB 0.168 31.700 31.700 -0.280 0.000 0.820 785 E N 2.189 122.413 120.200 0.040 0.000 2.481 785 E HA 0.006 4.358 4.350 0.003 0.000 0.240 785 E C 0.770 177.381 176.600 0.018 0.000 1.193 785 E CA -0.107 56.326 56.400 0.055 0.000 0.955 785 E CB -0.182 29.575 29.700 0.094 0.000 1.006 785 E HN 0.385 nan 8.360 nan 0.000 0.483 786 A N 4.852 127.674 122.820 0.004 0.000 1.933 786 A HA -0.012 4.310 4.320 0.003 0.000 0.218 786 A C 0.862 178.457 177.584 0.017 0.000 1.175 786 A CA 0.791 52.825 52.037 -0.005 0.000 0.628 786 A CB -0.009 18.988 19.000 -0.005 0.000 0.814 786 A HN 0.600 nan 8.150 nan 0.000 0.444 787 L N -0.309 120.934 121.223 0.034 0.000 2.455 787 L HA 0.489 4.831 4.340 0.003 0.000 0.264 787 L C -0.665 176.242 176.870 0.062 0.000 0.968 787 L CA -0.782 54.086 54.840 0.048 0.000 0.827 787 L CB 2.163 44.250 42.059 0.047 0.000 1.317 787 L HN 0.417 nan 8.230 nan 0.000 0.407 788 I N -0.663 119.952 120.570 0.075 0.000 2.566 788 I HA 0.496 4.668 4.170 0.003 0.000 0.303 788 I C -1.898 174.278 176.117 0.098 0.000 0.983 788 I CA -2.112 59.239 61.300 0.084 0.000 1.235 788 I CB 1.051 39.101 38.000 0.084 0.000 1.386 788 I HN 0.332 nan 8.210 nan 0.000 0.494 789 P HA -0.156 nan 4.420 nan 0.000 0.218 789 P C 1.179 178.561 177.300 0.136 0.000 1.146 789 P CA 1.026 64.187 63.100 0.103 0.000 0.820 789 P CB -0.049 31.707 31.700 0.093 0.000 0.778 790 V N -1.257 118.745 119.914 0.148 0.000 3.636 790 V HA -0.005 4.117 4.120 0.003 0.000 0.279 790 V C 1.698 177.969 176.094 0.295 0.000 1.263 790 V CA 1.089 63.507 62.300 0.198 0.000 1.182 790 V CB -1.227 30.682 31.823 0.143 0.000 0.955 790 V HN 0.212 nan 8.190 nan 0.000 0.443 791 Q N -0.769 119.173 119.800 0.236 0.000 2.534 791 Q HA 0.276 4.618 4.340 0.003 0.000 0.252 791 Q C 2.023 178.150 176.000 0.212 0.000 0.850 791 Q CA 0.094 56.035 55.803 0.229 0.000 0.974 791 Q CB 0.184 29.008 28.738 0.143 0.000 1.205 791 Q HN 0.451 nan 8.270 nan 0.000 0.593 792 L N 1.080 122.394 121.223 0.152 0.000 2.012 792 L HA -0.200 4.142 4.340 0.003 0.000 0.210 792 L C 2.287 179.231 176.870 0.123 0.000 1.073 792 L CA 1.250 56.156 54.840 0.111 0.000 0.748 792 L CB -0.611 41.496 42.059 0.081 0.000 0.891 792 L HN 0.255 nan 8.230 nan 0.000 0.431 793 L N -1.714 119.605 121.223 0.160 0.000 2.187 793 L HA -0.244 4.097 4.340 0.003 0.000 0.213 793 L C 2.272 179.273 176.870 0.218 0.000 1.100 793 L CA 1.396 56.337 54.840 0.169 0.000 0.765 793 L CB -0.392 41.784 42.059 0.195 0.000 0.904 793 L HN 0.447 nan 8.230 nan 0.000 0.437 794 W N -1.044 120.314 121.300 0.096 0.000 2.812 794 W HA 0.013 4.675 4.660 0.002 0.000 0.263 794 W C 1.963 178.509 176.519 0.045 0.000 1.284 794 W CA 0.536 57.934 57.345 0.088 0.000 1.430 794 W CB 0.248 29.770 29.460 0.103 0.000 1.088 794 W HN -0.207 nan 8.180 nan 0.000 0.623 795 V N 0.407 120.380 119.914 0.097 0.000 2.341 795 V HA -0.213 3.909 4.120 0.003 0.000 0.240 795 V C 1.994 178.025 176.094 -0.105 0.000 1.035 795 V CA 1.801 64.088 62.300 -0.020 0.000 1.033 795 V CB -1.129 30.722 31.823 0.046 0.000 0.678 795 V HN -0.021 nan 8.190 nan 0.000 0.464 796 N N 0.601 119.265 118.700 -0.061 0.000 2.132 796 N HA -0.195 4.546 4.740 0.003 0.000 0.191 796 N C 1.493 176.935 175.510 -0.114 0.000 1.015 796 N CA 1.588 54.588 53.050 -0.084 0.000 0.864 796 N CB -0.425 38.040 38.487 -0.037 0.000 1.006 796 N HN 0.410 nan 8.380 nan 0.000 0.430 797 L N -0.909 120.237 121.223 -0.127 0.000 2.221 797 L HA 0.160 4.502 4.340 0.003 0.000 0.202 797 L C 1.573 178.289 176.870 -0.255 0.000 1.074 797 L CA 0.912 55.660 54.840 -0.152 0.000 0.795 797 L CB 0.051 42.050 42.059 -0.100 0.000 0.960 797 L HN -0.084 nan 8.230 nan 0.000 0.458 798 V N -2.031 117.625 119.914 -0.430 0.000 2.939 798 V HA -0.010 4.112 4.120 0.003 0.000 0.228 798 V C 2.096 177.916 176.094 -0.457 0.000 1.162 798 V CA 1.323 63.262 62.300 -0.601 0.000 1.222 798 V CB -0.004 31.041 31.823 -1.297 0.000 1.053 798 V HN 0.265 nan 8.190 nan 0.000 0.504 799 T N 0.171 114.437 114.554 -0.479 0.000 2.929 799 T HA -0.144 4.208 4.350 0.003 0.000 0.271 799 T C 1.285 175.943 174.700 -0.070 0.000 1.085 799 T CA 1.589 63.571 62.100 -0.197 0.000 1.125 799 T CB -0.230 68.618 68.868 -0.034 0.000 0.874 799 T HN 0.359 nan 8.240 nan 0.000 0.494 800 D N 0.271 120.604 120.400 -0.111 0.000 2.346 800 D HA 0.146 4.788 4.640 0.003 0.000 0.206 800 D C 2.231 178.500 176.300 -0.052 0.000 1.001 800 D CA 0.338 54.280 54.000 -0.097 0.000 0.871 800 D CB -0.279 40.374 40.800 -0.243 0.000 0.943 800 D HN 0.449 nan 8.370 nan 0.000 0.518 801 G N 0.619 109.353 108.800 -0.110 0.000 2.408 801 G HA2 -0.099 3.863 3.960 0.003 0.000 0.215 801 G HA3 -0.099 3.863 3.960 0.003 0.000 0.215 801 G C 1.722 176.576 174.900 -0.077 0.000 1.156 801 G CA 0.072 45.099 45.100 -0.120 0.000 0.793 801 G HN 0.200 nan 8.290 nan 0.000 0.535 802 L N 0.762 121.957 121.223 -0.047 0.000 1.994 802 L HA -0.029 4.313 4.340 0.003 0.000 0.208 802 L C -0.091 176.808 176.870 0.048 0.000 1.071 802 L CA 1.202 56.040 54.840 -0.005 0.000 0.745 802 L CB -0.989 41.073 42.059 0.005 0.000 0.892 802 L HN 0.168 nan 8.230 nan 0.000 0.431 803 P HA -0.057 nan 4.420 nan 0.000 0.225 803 P C 1.208 178.567 177.300 0.097 0.000 1.156 803 P CA 1.167 64.314 63.100 0.078 0.000 0.787 803 P CB 0.061 31.800 31.700 0.066 0.000 0.802 804 A N -0.758 122.188 122.820 0.210 0.000 1.968 804 A HA -0.080 4.242 4.320 0.003 0.000 0.217 804 A C 1.941 179.426 177.584 -0.164 0.000 1.169 804 A CA 1.779 53.904 52.037 0.147 0.000 0.638 804 A CB -1.559 17.473 19.000 0.053 0.000 0.812 804 A HN 0.153 nan 8.150 nan 0.000 0.446 805 T N -0.419 114.031 114.554 -0.173 0.000 3.100 805 T HA 0.316 4.668 4.350 0.003 0.000 0.253 805 T C 1.646 176.352 174.700 0.010 0.000 1.118 805 T CA 0.692 62.658 62.100 -0.222 0.000 1.058 805 T CB 0.152 68.893 68.868 -0.212 0.000 0.953 805 T HN 0.479 nan 8.240 nan 0.000 0.515 806 A N 0.853 123.757 122.820 0.140 0.000 2.275 806 A HA 0.397 4.719 4.320 0.003 0.000 0.212 806 A C 1.798 179.533 177.584 0.251 0.000 1.201 806 A CA 0.171 52.403 52.037 0.324 0.000 0.843 806 A CB -0.445 18.697 19.000 0.236 0.000 0.873 806 A HN 0.476 nan 8.150 nan 0.000 0.492 807 L N -1.241 120.084 121.223 0.170 0.000 2.592 807 L HA 0.133 4.474 4.340 0.003 0.000 0.227 807 L C 1.961 178.971 176.870 0.233 0.000 1.127 807 L CA 0.578 55.529 54.840 0.185 0.000 0.884 807 L CB 0.139 42.320 42.059 0.203 0.000 1.065 807 L HN 0.448 nan 8.230 nan 0.000 0.457 808 G N -1.406 107.495 108.800 0.169 0.000 3.371 808 G HA2 0.016 3.978 3.960 0.003 0.000 0.248 808 G HA3 0.016 3.978 3.960 0.003 0.000 0.248 808 G C 0.531 175.304 174.900 -0.212 0.000 1.161 808 G CA -0.039 45.072 45.100 0.019 0.000 0.796 808 G HN 0.187 nan 8.290 nan 0.000 0.539 809 F N 0.264 120.243 119.950 0.048 0.000 2.781 809 F HA 0.338 4.867 4.527 0.003 0.000 0.322 809 F C 0.727 176.570 175.800 0.070 0.000 1.108 809 F CA -1.325 56.697 58.000 0.037 0.000 1.179 809 F CB 0.168 39.191 39.000 0.039 0.000 1.072 809 F HN -0.075 nan 8.300 nan 0.000 0.545 810 N N 2.543 121.362 118.700 0.199 0.000 2.399 810 N HA 0.127 4.868 4.740 0.003 0.000 0.250 810 N C -2.380 173.192 175.510 0.104 0.000 1.272 810 N CA -0.937 52.191 53.050 0.129 0.000 0.928 810 N CB -0.136 38.392 38.487 0.069 0.000 1.158 810 N HN -0.077 nan 8.380 nan 0.000 0.463 811 P HA 0.183 nan 4.420 nan 0.000 0.269 811 P C -2.413 174.910 177.300 0.039 0.000 1.252 811 P CA -0.844 62.289 63.100 0.056 0.000 0.780 811 P CB -0.594 31.127 31.700 0.035 0.000 0.829 812 P HA -0.030 nan 4.420 nan 0.000 0.254 812 P C 0.184 177.496 177.300 0.020 0.000 1.186 812 P CA 0.340 63.458 63.100 0.029 0.000 0.868 812 P CB -0.209 31.509 31.700 0.031 0.000 0.856 813 D N 3.255 123.663 120.400 0.015 0.000 2.950 813 D HA -0.113 4.529 4.640 0.003 0.000 0.265 813 D C 1.232 177.538 176.300 0.009 0.000 1.405 813 D CA 0.133 54.139 54.000 0.009 0.000 0.998 813 D CB 0.302 41.107 40.800 0.009 0.000 1.154 813 D HN 0.195 nan 8.370 nan 0.000 0.586 814 L N 2.736 123.964 121.223 0.008 0.000 2.021 814 L HA -0.194 4.148 4.340 0.003 0.000 0.215 814 L C 1.249 178.123 176.870 0.006 0.000 1.074 814 L CA 1.964 56.809 54.840 0.008 0.000 0.760 814 L CB -0.960 41.104 42.059 0.008 0.000 0.889 814 L HN 0.233 nan 8.230 nan 0.000 0.433 815 D N -0.649 119.753 120.400 0.003 0.000 2.538 815 D HA 0.018 4.660 4.640 0.003 0.000 0.234 815 D C 1.760 178.060 176.300 -0.000 0.000 1.191 815 D CA 0.047 54.047 54.000 0.001 0.000 0.828 815 D CB -0.677 40.122 40.800 -0.000 0.000 0.981 815 D HN 0.602 nan 8.370 nan 0.000 0.490 816 I N -0.617 119.954 120.570 0.001 0.000 2.394 816 I HA -0.143 4.029 4.170 0.003 0.000 0.251 816 I C 1.248 177.361 176.117 -0.006 0.000 1.136 816 I CA 0.847 62.147 61.300 -0.000 0.000 1.425 816 I CB 0.159 38.161 38.000 0.003 0.000 1.079 816 I HN -0.013 nan 8.210 nan 0.000 0.425 817 M N 0.263 119.861 119.600 -0.005 0.000 2.639 817 M HA 0.009 4.491 4.480 0.003 0.000 0.220 817 M C 0.574 176.870 176.300 -0.007 0.000 1.155 817 M CA 0.729 56.025 55.300 -0.007 0.000 1.003 817 M CB -0.863 31.735 32.600 -0.005 0.000 1.725 817 M HN 0.282 nan 8.290 nan 0.000 0.489 818 D N 0.045 120.441 120.400 -0.006 0.000 2.431 818 D HA 0.092 4.734 4.640 0.003 0.000 0.227 818 D C 0.653 176.947 176.300 -0.009 0.000 1.030 818 D CA 0.248 54.245 54.000 -0.006 0.000 0.897 818 D CB 0.610 41.408 40.800 -0.004 0.000 1.058 818 D HN 0.281 nan 8.370 nan 0.000 0.500 819 R N 1.475 121.968 120.500 -0.011 0.000 2.679 819 R HA 0.261 4.602 4.340 0.003 0.000 0.269 819 R C -2.205 174.082 176.300 -0.021 0.000 1.076 819 R CA -0.993 55.098 56.100 -0.015 0.000 1.160 819 R CB -0.015 30.275 30.300 -0.016 0.000 1.054 819 R HN -0.033 nan 8.270 nan 0.000 0.507 820 P HA 0.106 nan 4.420 nan 0.000 0.273 820 P C -2.458 174.816 177.300 -0.044 0.000 1.250 820 P CA -1.189 61.894 63.100 -0.029 0.000 0.793 820 P CB -0.037 31.648 31.700 -0.026 0.000 1.011 821 P HA 0.118 nan 4.420 nan 0.000 0.271 821 P C -0.380 176.869 177.300 -0.085 0.000 1.233 821 P CA -0.077 62.980 63.100 -0.072 0.000 0.764 821 P CB 0.109 31.774 31.700 -0.059 0.000 0.825 822 R N 1.527 121.950 120.500 -0.128 0.000 2.640 822 R HA 0.267 4.609 4.340 0.003 0.000 0.270 822 R C 0.478 176.709 176.300 -0.114 0.000 1.024 822 R CA -0.340 55.680 56.100 -0.133 0.000 1.085 822 R CB -0.117 30.051 30.300 -0.221 0.000 0.963 822 R HN 0.323 nan 8.270 nan 0.000 0.426 823 S N 2.306 117.965 115.700 -0.069 0.000 2.600 823 S HA 0.173 4.645 4.470 0.003 0.000 0.265 823 S C -1.467 173.108 174.600 -0.040 0.000 1.325 823 S CA -1.479 56.695 58.200 -0.042 0.000 1.002 823 S CB 0.712 63.902 63.200 -0.017 0.000 0.921 823 S HN 0.638 nan 8.310 nan 0.000 0.554 824 P HA 0.087 nan 4.420 nan 0.000 0.217 824 P C 0.936 178.244 177.300 0.014 0.000 1.151 824 P CA 0.798 63.896 63.100 -0.003 0.000 0.828 824 P CB 0.098 31.804 31.700 0.009 0.000 0.788 825 K N 0.429 120.838 120.400 0.016 0.000 2.504 825 K HA -0.077 4.245 4.320 0.003 0.000 0.195 825 K C 0.665 177.282 176.600 0.028 0.000 1.036 825 K CA 0.265 56.566 56.287 0.023 0.000 0.984 825 K CB -0.648 31.866 32.500 0.022 0.000 0.788 825 K HN 0.161 nan 8.250 nan 0.000 0.488 826 E N 1.647 121.862 120.200 0.025 0.000 2.070 826 E HA 0.085 4.437 4.350 0.003 0.000 0.282 826 E C -2.217 174.419 176.600 0.060 0.000 1.104 826 E CA -2.245 54.177 56.400 0.037 0.000 0.876 826 E CB 0.542 30.256 29.700 0.024 0.000 1.055 826 E HN 0.048 nan 8.360 nan 0.000 0.401 827 P HA 0.037 nan 4.420 nan 0.000 0.286 827 P C 0.190 177.537 177.300 0.078 0.000 1.293 827 P CA -0.314 62.826 63.100 0.067 0.000 0.770 827 P CB 0.463 32.200 31.700 0.061 0.000 1.206 828 L N -2.808 118.444 121.223 0.049 0.000 2.640 828 L HA 0.461 4.803 4.340 0.003 0.000 0.230 828 L C -0.061 176.840 176.870 0.052 0.000 1.123 828 L CA 0.837 55.691 54.840 0.022 0.000 0.900 828 L CB -0.060 41.950 42.059 -0.081 0.000 1.146 828 L HN 0.010 nan 8.230 nan 0.000 0.484 829 I N 0.407 121.037 120.570 0.100 0.000 2.500 829 I HA 0.388 4.560 4.170 0.003 0.000 0.286 829 I C -0.107 176.114 176.117 0.174 0.000 1.063 829 I CA -0.275 61.135 61.300 0.184 0.000 1.062 829 I CB 1.523 39.684 38.000 0.268 0.000 1.223 829 I HN 0.081 nan 8.210 nan 0.000 0.435 830 S N 3.366 119.190 115.700 0.206 0.000 2.672 830 S HA 0.566 5.038 4.470 0.003 0.000 0.276 830 S C 1.517 176.246 174.600 0.215 0.000 1.207 830 S CA 0.259 58.575 58.200 0.193 0.000 1.002 830 S CB 1.560 64.892 63.200 0.221 0.000 0.998 830 S HN 0.861 nan 8.310 nan 0.000 0.542 831 G N 1.311 110.215 108.800 0.173 0.000 2.556 831 G HA2 -0.264 3.697 3.960 0.003 0.000 0.220 831 G HA3 -0.264 3.697 3.960 0.003 0.000 0.220 831 G C 1.095 176.150 174.900 0.258 0.000 1.156 831 G CA 1.163 46.364 45.100 0.167 0.000 0.766 831 G HN 0.845 nan 8.290 nan 0.000 0.583 832 W N 0.099 121.468 121.300 0.116 0.000 2.523 832 W HA 0.289 4.951 4.660 0.003 0.000 0.278 832 W C 2.134 178.779 176.519 0.210 0.000 1.236 832 W CA 0.493 57.915 57.345 0.129 0.000 1.306 832 W CB -0.119 29.384 29.460 0.073 0.000 1.101 832 W HN 0.129 nan 8.180 nan 0.000 0.577 833 L N 0.157 121.572 121.223 0.319 0.000 2.217 833 L HA -0.054 4.288 4.340 0.003 0.000 0.211 833 L C 2.192 179.134 176.870 0.120 0.000 1.107 833 L CA 1.672 56.628 54.840 0.194 0.000 0.783 833 L CB -1.478 40.753 42.059 0.286 0.000 0.919 833 L HN 0.078 nan 8.230 nan 0.000 0.442 834 F N -0.203 119.744 119.950 -0.005 0.000 2.046 834 F HA -0.316 4.213 4.527 0.003 0.000 0.297 834 F C 2.365 177.933 175.800 -0.385 0.000 1.123 834 F CA 2.128 60.025 58.000 -0.172 0.000 1.199 834 F CB -0.870 38.085 39.000 -0.075 0.000 0.972 834 F HN 0.220 nan 8.300 nan 0.000 0.474 835 F N 1.117 120.878 119.950 -0.315 0.000 2.154 835 F HA -0.239 4.290 4.527 0.002 0.000 0.301 835 F C 2.524 178.000 175.800 -0.540 0.000 1.087 835 F CA 1.854 59.591 58.000 -0.439 0.000 1.274 835 F CB -0.496 38.288 39.000 -0.361 0.000 1.009 835 F HN -0.120 nan 8.300 nan 0.000 0.485 836 R N -0.505 119.690 120.500 -0.508 0.000 2.096 836 R HA -0.239 4.103 4.340 0.003 0.000 0.240 836 R C 1.918 177.998 176.300 -0.367 0.000 1.139 836 R CA 2.213 58.036 56.100 -0.462 0.000 0.952 836 R CB -0.882 29.228 30.300 -0.316 0.000 0.854 836 R HN 0.650 nan 8.270 nan 0.000 0.436 837 Y N -2.552 117.528 120.300 -0.367 0.000 2.493 837 Y HA 0.282 4.834 4.550 0.003 0.000 0.275 837 Y C 1.246 176.917 175.900 -0.381 0.000 1.183 837 Y CA -0.260 57.660 58.100 -0.302 0.000 1.258 837 Y CB 0.309 38.649 38.460 -0.199 0.000 1.108 837 Y HN -0.145 nan 8.280 nan 0.000 0.521 838 M N 0.253 119.361 119.600 -0.822 0.000 2.465 838 M HA 0.347 4.829 4.480 0.003 0.000 0.249 838 M C 1.581 177.544 176.300 -0.562 0.000 1.130 838 M CA 0.665 55.532 55.300 -0.722 0.000 1.067 838 M CB -0.086 32.018 32.600 -0.827 0.000 1.394 838 M HN 0.579 nan 8.290 nan 0.000 0.483 839 A N -0.453 121.982 122.820 -0.641 0.000 2.108 839 A HA 0.196 4.518 4.320 0.003 0.000 0.206 839 A C 1.907 179.364 177.584 -0.212 0.000 1.212 839 A CA 0.061 51.811 52.037 -0.479 0.000 0.843 839 A CB 0.133 18.708 19.000 -0.709 0.000 0.902 839 A HN 0.235 nan 8.150 nan 0.000 0.477 840 I N 0.148 120.609 120.570 -0.181 0.000 2.676 840 I HA -0.099 4.073 4.170 0.003 0.000 0.259 840 I C 2.203 178.334 176.117 0.024 0.000 1.194 840 I CA 1.638 62.923 61.300 -0.025 0.000 1.473 840 I CB -0.963 37.042 38.000 0.009 0.000 1.096 840 I HN 0.370 nan 8.210 nan 0.000 0.443 841 G N -0.334 108.441 108.800 -0.042 0.000 2.608 841 G HA2 -0.001 3.960 3.960 0.003 0.000 0.210 841 G HA3 -0.001 3.960 3.960 0.003 0.000 0.210 841 G C 1.647 176.523 174.900 -0.040 0.000 1.139 841 G CA 0.541 45.623 45.100 -0.031 0.000 0.812 841 G HN 0.405 nan 8.290 nan 0.000 0.529 842 G N -0.036 108.722 108.800 -0.070 0.000 2.448 842 G HA2 -0.209 3.753 3.960 0.003 0.000 0.219 842 G HA3 -0.209 3.753 3.960 0.003 0.000 0.219 842 G C 1.448 176.369 174.900 0.035 0.000 1.127 842 G CA 1.226 46.303 45.100 -0.037 0.000 0.766 842 G HN 0.439 nan 8.290 nan 0.000 0.552 843 Y N 1.083 121.344 120.300 -0.065 0.000 2.222 843 Y HA 0.085 4.637 4.550 0.003 0.000 0.290 843 Y C 2.545 178.431 175.900 -0.023 0.000 1.123 843 Y CA 1.377 59.455 58.100 -0.038 0.000 1.120 843 Y CB -0.410 38.025 38.460 -0.041 0.000 1.060 843 Y HN 0.108 nan 8.280 nan 0.000 0.508 844 V N -0.203 119.615 119.914 -0.160 0.000 3.541 844 V HA 0.187 4.309 4.120 0.003 0.000 0.272 844 V C 1.532 177.530 176.094 -0.160 0.000 1.215 844 V CA 1.667 63.820 62.300 -0.246 0.000 1.176 844 V CB -0.943 30.867 31.823 -0.021 0.000 0.854 844 V HN 0.504 nan 8.190 nan 0.000 0.496 845 G N -0.899 107.828 108.800 -0.121 0.000 2.833 845 G HA2 0.381 4.343 3.960 0.003 0.000 0.210 845 G HA3 0.381 4.343 3.960 0.003 0.000 0.210 845 G C 1.366 176.223 174.900 -0.070 0.000 1.139 845 G CA 0.711 45.770 45.100 -0.068 0.000 0.771 845 G HN 0.755 nan 8.290 nan 0.000 0.535 846 A N 0.634 123.382 122.820 -0.119 0.000 2.014 846 A HA 0.643 4.965 4.320 0.003 0.000 0.210 846 A C 2.329 179.821 177.584 -0.153 0.000 1.188 846 A CA 1.313 53.295 52.037 -0.092 0.000 0.731 846 A CB -0.138 18.831 19.000 -0.051 0.000 0.858 846 A HN 0.534 nan 8.150 nan 0.000 0.464 847 A N 0.080 122.702 122.820 -0.330 0.000 2.238 847 A HA 0.201 4.523 4.320 0.003 0.000 0.208 847 A C 1.800 179.247 177.584 -0.228 0.000 1.177 847 A CA 1.549 53.373 52.037 -0.355 0.000 0.804 847 A CB -0.822 17.762 19.000 -0.694 0.000 0.823 847 A HN 0.595 nan 8.150 nan 0.000 0.482 848 T N -4.557 109.902 114.554 -0.159 0.000 3.069 848 T HA 0.171 4.523 4.350 0.003 0.000 0.252 848 T C 1.112 175.787 174.700 -0.041 0.000 1.053 848 T CA 0.812 62.861 62.100 -0.085 0.000 0.964 848 T CB 0.232 69.065 68.868 -0.060 0.000 1.005 848 T HN 0.009 nan 8.240 nan 0.000 0.532 849 V N 0.868 120.760 119.914 -0.037 0.000 3.354 849 V HA 0.372 4.494 4.120 0.003 0.000 0.258 849 V C 1.958 178.087 176.094 0.058 0.000 1.159 849 V CA 0.827 63.130 62.300 0.005 0.000 1.125 849 V CB -0.015 31.813 31.823 0.008 0.000 0.774 849 V HN 0.638 nan 8.190 nan 0.000 0.464 850 G N -0.534 108.291 108.800 0.042 0.000 4.420 850 G HA2 0.546 4.508 3.960 0.003 0.000 0.299 850 G HA3 0.546 4.508 3.960 0.003 0.000 0.299 850 G C 0.456 175.316 174.900 -0.067 0.000 1.343 850 G CA 0.777 45.955 45.100 0.129 0.000 1.272 850 G HN 0.448 nan 8.290 nan 0.000 0.610 851 A N -0.800 122.039 122.820 0.031 0.000 2.574 851 A HA 0.629 4.951 4.320 0.003 0.000 0.170 851 A C 1.554 179.195 177.584 0.094 0.000 1.617 851 A CA 1.084 53.098 52.037 -0.039 0.000 1.189 851 A CB 0.039 18.998 19.000 -0.069 0.000 1.496 851 A HN 0.830 nan 8.150 nan 0.000 0.505 852 A N -0.484 122.409 122.820 0.122 0.000 2.390 852 A HA 0.673 4.994 4.320 0.003 0.000 0.232 852 A C 1.399 179.021 177.584 0.063 0.000 1.233 852 A CA 1.068 53.184 52.037 0.132 0.000 0.907 852 A CB -0.162 18.846 19.000 0.014 0.000 0.967 852 A HN 1.154 nan 8.150 nan 0.000 0.512 853 A N -1.926 121.003 122.820 0.182 0.000 2.465 853 A HA 0.432 4.754 4.320 0.003 0.000 0.255 853 A C 0.423 178.101 177.584 0.157 0.000 1.274 853 A CA -0.120 52.006 52.037 0.149 0.000 0.920 853 A CB -0.448 18.624 19.000 0.121 0.000 1.033 853 A HN 0.567 nan 8.150 nan 0.000 0.516 854 W N -3.008 118.286 121.300 -0.010 0.000 2.284 854 W HA 0.354 5.016 4.660 0.002 0.000 0.334 854 W C 0.400 176.797 176.519 -0.204 0.000 0.917 854 W CA -0.938 56.365 57.345 -0.070 0.000 1.621 854 W CB -0.555 28.790 29.460 -0.193 0.000 1.129 854 W HN 0.506 nan 8.180 nan 0.000 0.528 855 W N -0.833 120.667 121.300 0.332 0.000 3.239 855 W HA 0.268 4.930 4.660 0.002 0.000 0.368 855 W C 0.963 177.693 176.519 0.352 0.000 1.154 855 W CA -0.091 57.414 57.345 0.266 0.000 1.860 855 W CB 0.008 29.611 29.460 0.239 0.000 1.094 855 W HN -0.244 nan 8.180 nan 0.000 0.643 856 F N -1.786 118.232 119.950 0.113 0.000 2.009 856 F HA 0.194 4.723 4.527 0.003 0.000 0.228 856 F C 2.011 177.702 175.800 -0.181 0.000 1.168 856 F CA 0.151 58.130 58.000 -0.035 0.000 1.286 856 F CB -0.799 38.182 39.000 -0.030 0.000 1.725 856 F HN -0.389 nan 8.300 nan 0.000 0.418 857 M N -0.568 118.987 119.600 -0.075 0.000 2.722 857 M HA -0.074 4.408 4.480 0.003 0.000 0.238 857 M C -0.415 175.498 176.300 -0.645 0.000 1.098 857 M CA 1.466 56.513 55.300 -0.421 0.000 1.062 857 M CB -0.539 31.727 32.600 -0.556 0.000 1.573 857 M HN 0.387 nan 8.290 nan 0.000 0.531 858 Y N -1.625 118.507 120.300 -0.281 0.000 3.146 858 Y HA 0.251 4.803 4.550 0.003 0.000 0.304 858 Y C 0.590 176.461 175.900 -0.048 0.000 0.996 858 Y CA -0.897 57.095 58.100 -0.180 0.000 1.278 858 Y CB -0.172 38.180 38.460 -0.181 0.000 1.375 858 Y HN 0.056 nan 8.280 nan 0.000 0.584 859 A N 1.403 124.281 122.820 0.097 0.000 2.532 859 A HA -0.000 4.322 4.320 0.003 0.000 0.269 859 A C 1.265 178.938 177.584 0.148 0.000 1.079 859 A CA 0.577 52.712 52.037 0.163 0.000 0.800 859 A CB 0.131 19.270 19.000 0.231 0.000 1.000 859 A HN 0.396 nan 8.150 nan 0.000 0.522 860 E N 2.105 122.374 120.200 0.115 0.000 2.001 860 E HA -0.139 4.212 4.350 0.003 0.000 0.195 860 E C 0.301 177.004 176.600 0.171 0.000 1.002 860 E CA 1.521 57.995 56.400 0.123 0.000 0.819 860 E CB -0.285 29.460 29.700 0.075 0.000 0.769 860 E HN 0.948 nan 8.360 nan 0.000 0.454 861 D N -0.118 120.453 120.400 0.284 0.000 2.349 861 D HA 0.459 5.101 4.640 0.003 0.000 0.232 861 D C 0.562 177.019 176.300 0.262 0.000 1.071 861 D CA -0.229 53.911 54.000 0.234 0.000 0.832 861 D CB 1.495 42.411 40.800 0.193 0.000 1.086 861 D HN 0.224 nan 8.370 nan 0.000 0.504 862 G N 2.866 111.741 108.800 0.124 0.000 2.497 862 G HA2 -0.063 3.898 3.960 0.003 0.000 0.686 862 G HA3 -0.063 3.898 3.960 0.003 0.000 0.686 862 G C -2.884 172.036 174.900 0.034 0.000 1.288 862 G CA -1.229 43.902 45.100 0.053 0.000 0.899 862 G HN 0.414 nan 8.290 nan 0.000 0.608 863 P HA 0.215 nan 4.420 nan 0.000 0.197 863 P C 0.861 178.039 177.300 -0.202 0.000 1.121 863 P CA 1.260 64.254 63.100 -0.177 0.000 1.318 863 P CB -0.328 31.194 31.700 -0.298 0.000 1.634 864 G N 2.313 111.042 108.800 -0.118 0.000 2.821 864 G HA2 0.254 4.216 3.960 0.003 0.000 0.289 864 G HA3 0.254 4.216 3.960 0.003 0.000 0.289 864 G C 0.472 175.226 174.900 -0.244 0.000 0.771 864 G CA -0.414 44.609 45.100 -0.128 0.000 1.908 864 G HN 0.390 nan 8.290 nan 0.000 0.539 865 V N 1.286 120.952 119.914 -0.412 0.000 2.008 865 V HA 0.247 4.369 4.120 0.003 0.000 0.262 865 V C 0.739 176.544 176.094 -0.481 0.000 1.580 865 V CA -0.907 60.968 62.300 -0.709 0.000 1.515 865 V CB -1.375 29.674 31.823 -1.289 0.000 1.474 865 V HN 0.307 nan 8.190 nan 0.000 0.504 866 T N 1.988 116.380 114.554 -0.270 0.000 2.908 866 T HA 0.126 4.478 4.350 0.003 0.000 0.325 866 T C 0.522 175.222 174.700 -0.000 0.000 1.092 866 T CA 0.587 62.522 62.100 -0.276 0.000 1.125 866 T CB -0.218 68.478 68.868 -0.286 0.000 1.016 866 T HN 0.758 nan 8.240 nan 0.000 0.550 867 Y N -1.008 119.200 120.300 -0.153 0.000 3.944 867 Y HA -0.282 4.270 4.550 0.003 0.000 0.212 867 Y C 1.268 177.205 175.900 0.061 0.000 1.107 867 Y CA 0.686 58.753 58.100 -0.056 0.000 1.562 867 Y CB -2.261 36.162 38.460 -0.061 0.000 1.480 867 Y HN 0.696 nan 8.280 nan 0.000 0.619 868 H N -0.050 119.033 119.070 0.022 0.000 2.836 868 H HA 0.026 4.584 4.556 0.003 0.000 0.368 868 H C 0.702 176.059 175.328 0.048 0.000 1.164 868 H CA -0.025 56.062 56.048 0.065 0.000 1.425 868 H CB 0.760 30.560 29.762 0.062 0.000 1.414 868 H HN 0.067 nan 8.280 nan 0.000 0.614 869 Q N 2.559 122.416 119.800 0.096 0.000 2.620 869 Q HA 0.105 4.447 4.340 0.003 0.000 0.333 869 Q C 1.325 177.397 176.000 0.119 0.000 1.017 869 Q CA -0.053 55.765 55.803 0.026 0.000 0.962 869 Q CB -0.569 28.216 28.738 0.079 0.000 1.297 869 Q HN 0.551 nan 8.270 nan 0.000 0.419 870 L N -1.014 120.282 121.223 0.123 0.000 2.129 870 L HA -0.263 4.079 4.340 0.003 0.000 0.212 870 L C 2.212 179.113 176.870 0.052 0.000 1.087 870 L CA 1.821 56.723 54.840 0.102 0.000 0.757 870 L CB -0.457 41.665 42.059 0.106 0.000 0.896 870 L HN 0.405 nan 8.230 nan 0.000 0.434 871 T N -1.512 113.032 114.554 -0.017 0.000 2.720 871 T HA -0.248 4.104 4.350 0.003 0.000 0.268 871 T C 1.674 176.396 174.700 0.036 0.000 1.037 871 T CA 1.954 64.020 62.100 -0.056 0.000 1.144 871 T CB -0.208 68.553 68.868 -0.179 0.000 0.864 871 T HN 0.527 nan 8.240 nan 0.000 0.444 872 H N -0.591 118.551 119.070 0.120 0.000 2.370 872 H HA 0.333 4.891 4.556 0.003 0.000 0.304 872 H C 0.556 176.003 175.328 0.199 0.000 1.055 872 H CA 0.706 56.817 56.048 0.104 0.000 1.373 872 H CB 0.209 30.002 29.762 0.052 0.000 1.423 872 H HN 0.555 nan 8.280 nan 0.000 0.533 873 F N -1.232 118.769 119.950 0.085 0.000 2.641 873 F HA 0.287 4.816 4.527 0.002 0.000 0.308 873 F C -0.117 175.691 175.800 0.014 0.000 1.105 873 F CA -1.092 56.911 58.000 0.005 0.000 0.964 873 F CB 1.859 40.841 39.000 -0.031 0.000 1.294 873 F HN -0.153 nan 8.300 nan 0.000 0.442 874 M N 2.779 122.253 119.600 -0.210 0.000 2.308 874 M HA 0.083 4.565 4.480 0.003 0.000 0.269 874 M C 0.572 176.568 176.300 -0.506 0.000 1.040 874 M CA 0.681 55.794 55.300 -0.311 0.000 1.024 874 M CB 0.184 32.682 32.600 -0.170 0.000 1.465 874 M HN 0.951 nan 8.290 nan 0.000 0.517 875 Q N 0.276 119.789 119.800 -0.479 0.000 2.436 875 Q HA 0.021 4.362 4.340 0.003 0.000 0.209 875 Q C 1.230 177.023 176.000 -0.345 0.000 0.965 875 Q CA 0.753 56.333 55.803 -0.371 0.000 0.910 875 Q CB -1.454 27.211 28.738 -0.123 0.000 0.980 875 Q HN 0.554 nan 8.270 nan 0.000 0.491 876 c N 2.094 120.214 118.600 -0.800 0.000 2.350 876 c HA -0.219 4.353 4.570 0.003 0.000 0.168 876 c C 1.131 175.218 174.090 -0.006 0.000 1.407 876 c CA 0.951 57.024 56.329 -0.427 0.000 2.568 876 c CB -1.855 40.499 42.510 -0.259 0.000 1.636 876 c HN 0.687 nan 8.230 nan 0.000 0.259 877 T N 2.214 116.830 114.554 0.104 0.000 3.010 877 T HA -0.006 4.346 4.350 0.003 0.000 0.252 877 T C 1.395 176.075 174.700 -0.033 0.000 1.047 877 T CA 1.581 63.700 62.100 0.031 0.000 1.140 877 T CB 0.017 68.904 68.868 0.031 0.000 0.885 877 T HN 0.758 nan 8.240 nan 0.000 0.464 878 E N 0.930 121.041 120.200 -0.149 0.000 2.447 878 E HA 0.058 4.410 4.350 0.003 0.000 0.195 878 E C 0.425 176.793 176.600 -0.388 0.000 1.028 878 E CA 0.098 56.233 56.400 -0.443 0.000 0.876 878 E CB 0.074 29.068 29.700 -1.177 0.000 0.885 878 E HN 0.182 nan 8.360 nan 0.000 0.500 879 D N -0.135 120.152 120.400 -0.189 0.000 3.059 879 D HA -0.202 4.439 4.640 0.003 0.000 0.213 879 D C 0.185 176.387 176.300 -0.162 0.000 1.144 879 D CA 1.526 55.495 54.000 -0.052 0.000 0.975 879 D CB -1.444 39.395 40.800 0.066 0.000 1.125 879 D HN 0.567 nan 8.370 nan 0.000 0.412 880 H N -1.696 117.298 119.070 -0.128 0.000 2.568 880 H HA 0.462 5.019 4.556 0.003 0.000 0.302 880 H C -1.671 173.554 175.328 -0.171 0.000 1.065 880 H CA -0.954 55.019 56.048 -0.124 0.000 1.140 880 H CB -0.115 29.598 29.762 -0.081 0.000 1.474 880 H HN 0.200 nan 8.280 nan 0.000 0.545 881 P HA 0.072 nan 4.420 nan 0.000 0.220 881 P C 0.163 177.426 177.300 -0.062 0.000 1.051 881 P CA 0.303 63.373 63.100 -0.049 0.000 1.049 881 P CB 0.535 32.247 31.700 0.020 0.000 0.926 882 H N -1.454 117.675 119.070 0.098 0.000 2.582 882 H HA 0.221 4.779 4.556 0.003 0.000 0.345 882 H C 0.071 175.480 175.328 0.136 0.000 1.104 882 H CA -0.623 55.444 56.048 0.031 0.000 1.390 882 H CB 1.483 31.213 29.762 -0.054 0.000 1.461 882 H HN -0.075 nan 8.280 nan 0.000 0.551 883 F N 2.135 122.195 119.950 0.184 0.000 2.270 883 F HA -0.004 4.524 4.527 0.003 0.000 0.295 883 F C 0.841 176.725 175.800 0.140 0.000 1.087 883 F CA 0.864 58.943 58.000 0.131 0.000 1.365 883 F CB 0.441 39.489 39.000 0.080 0.000 1.056 883 F HN 0.543 nan 8.300 nan 0.000 0.506 884 E N -0.400 119.917 120.200 0.194 0.000 2.624 884 E HA 0.234 4.586 4.350 0.003 0.000 0.210 884 E C 0.743 177.340 176.600 -0.005 0.000 0.997 884 E CA 0.071 56.493 56.400 0.036 0.000 0.999 884 E CB 0.364 30.137 29.700 0.121 0.000 1.040 884 E HN 0.235 nan 8.360 nan 0.000 0.469 885 G N 1.939 110.723 108.800 -0.027 0.000 2.577 885 G HA2 -0.015 3.947 3.960 0.003 0.000 0.290 885 G HA3 -0.015 3.947 3.960 0.003 0.000 0.290 885 G C -0.093 174.627 174.900 -0.300 0.000 0.703 885 G CA -0.074 44.764 45.100 -0.438 0.000 2.032 885 G HN 0.285 nan 8.290 nan 0.000 0.508 886 L N 2.535 123.641 121.223 -0.195 0.000 2.313 886 L HA 0.312 4.654 4.340 0.003 0.000 0.282 886 L C 0.046 176.822 176.870 -0.156 0.000 1.092 886 L CA -0.394 54.358 54.840 -0.146 0.000 0.831 886 L CB 0.556 42.543 42.059 -0.120 0.000 1.159 886 L HN 0.558 nan 8.230 nan 0.000 0.442 887 D N 3.204 123.534 120.400 -0.118 0.000 4.844 887 D HA -0.227 4.415 4.640 0.003 0.000 0.239 887 D C 0.184 176.419 176.300 -0.108 0.000 1.115 887 D CA 0.416 54.353 54.000 -0.106 0.000 1.241 887 D CB -0.536 40.191 40.800 -0.121 0.000 0.748 887 D HN 0.707 nan 8.370 nan 0.000 0.368 888 c N 3.169 121.740 118.600 -0.049 0.000 2.509 888 c HA 0.115 4.687 4.570 0.003 0.000 0.301 888 c C 1.830 175.976 174.090 0.094 0.000 1.317 888 c CA 0.176 56.519 56.329 0.023 0.000 1.667 888 c CB -1.096 41.456 42.510 0.070 0.000 1.717 888 c HN 0.509 nan 8.230 nan 0.000 0.595 889 E N 0.356 120.507 120.200 -0.081 0.000 2.476 889 E HA 0.162 4.514 4.350 0.003 0.000 0.196 889 E C 1.519 177.799 176.600 -0.533 0.000 1.029 889 E CA 0.095 56.308 56.400 -0.312 0.000 0.896 889 E CB -0.322 29.250 29.700 -0.213 0.000 1.012 889 E HN 0.575 nan 8.360 nan 0.000 0.475 890 I N 0.968 121.352 120.570 -0.310 0.000 3.428 890 I HA -0.083 4.088 4.170 0.003 0.000 0.286 890 I C 0.963 176.995 176.117 -0.142 0.000 1.287 890 I CA 0.398 61.544 61.300 -0.257 0.000 1.396 890 I CB -0.209 37.651 38.000 -0.233 0.000 1.062 890 I HN 0.203 nan 8.210 nan 0.000 0.471 891 F N 1.429 121.402 119.950 0.038 0.000 2.161 891 F HA -0.211 4.318 4.527 0.004 0.000 0.300 891 F C 2.196 178.102 175.800 0.177 0.000 1.089 891 F CA 1.580 59.677 58.000 0.162 0.000 1.282 891 F CB -1.254 37.777 39.000 0.051 0.000 1.010 891 F HN 0.121 nan 8.300 nan 0.000 0.485 892 E N 1.908 121.908 120.200 -0.334 0.000 2.268 892 E HA -0.004 4.348 4.350 0.003 0.000 0.195 892 E C 1.058 177.647 176.600 -0.019 0.000 0.995 892 E CA 0.516 56.838 56.400 -0.130 0.000 0.836 892 E CB -0.329 29.161 29.700 -0.350 0.000 0.763 892 E HN 0.431 nan 8.360 nan 0.000 0.491 893 A N 2.292 125.112 122.820 0.000 0.000 1.910 893 A HA -0.133 4.188 4.320 0.003 0.000 0.339 893 A C -1.759 175.825 177.584 -0.000 0.000 0.767 893 A CA 0.131 52.188 52.037 0.034 0.000 1.520 893 A CB -0.301 18.844 19.000 0.242 0.000 0.618 893 A HN 0.275 nan 8.150 nan 0.000 0.216 894 P HA -0.016 nan 4.420 nan 0.000 0.239 894 P C 0.837 178.046 177.300 -0.152 0.000 1.184 894 P CA 1.135 64.175 63.100 -0.099 0.000 0.760 894 P CB 0.330 31.961 31.700 -0.115 0.000 0.884 895 E N -0.882 119.187 120.200 -0.218 0.000 2.201 895 E HA 0.030 4.382 4.350 0.003 0.000 0.193 895 E C -0.788 175.625 176.600 -0.312 0.000 0.957 895 E CA 0.366 56.526 56.400 -0.401 0.000 0.858 895 E CB -1.145 28.119 29.700 -0.726 0.000 0.816 895 E HN 0.293 nan 8.360 nan 0.000 0.475 896 P HA -0.190 nan 4.420 nan 0.000 0.215 896 P C 1.436 178.792 177.300 0.093 0.000 1.157 896 P CA 1.460 64.694 63.100 0.224 0.000 0.874 896 P CB -0.015 31.800 31.700 0.191 0.000 0.790 897 M N -1.755 117.852 119.600 0.013 0.000 2.065 897 M HA -0.155 4.327 4.480 0.003 0.000 0.259 897 M C 2.081 178.371 176.300 -0.017 0.000 1.069 897 M CA 2.048 57.348 55.300 -0.001 0.000 1.110 897 M CB -1.543 31.054 32.600 -0.005 0.000 1.328 897 M HN -0.082 nan 8.290 nan 0.000 0.405 898 T N 0.181 114.693 114.554 -0.069 0.000 3.227 898 T HA 0.020 4.372 4.350 0.003 0.000 0.257 898 T C 1.176 175.802 174.700 -0.123 0.000 1.162 898 T CA 0.705 62.732 62.100 -0.123 0.000 1.051 898 T CB 0.029 68.778 68.868 -0.199 0.000 0.953 898 T HN 0.199 nan 8.240 nan 0.000 0.535 899 M N -1.058 118.531 119.600 -0.018 0.000 2.260 899 M HA 0.429 4.911 4.480 0.003 0.000 0.326 899 M C 1.869 178.190 176.300 0.034 0.000 0.930 899 M CA 0.051 55.369 55.300 0.030 0.000 1.051 899 M CB -0.093 32.700 32.600 0.322 0.000 1.748 899 M HN 0.201 nan 8.290 nan 0.000 0.606 900 A N 0.259 123.102 122.820 0.038 0.000 2.251 900 A HA 0.235 4.557 4.320 0.003 0.000 0.209 900 A C 1.834 179.427 177.584 0.014 0.000 1.187 900 A CA 0.358 52.406 52.037 0.018 0.000 0.823 900 A CB -0.212 18.801 19.000 0.021 0.000 0.846 900 A HN 0.456 nan 8.150 nan 0.000 0.486 901 L N -2.442 118.792 121.223 0.019 0.000 2.672 901 L HA 0.238 4.580 4.340 0.003 0.000 0.236 901 L C 1.533 178.452 176.870 0.082 0.000 1.092 901 L CA 0.651 55.521 54.840 0.050 0.000 0.887 901 L CB 0.413 42.499 42.059 0.045 0.000 1.168 901 L HN 0.152 nan 8.230 nan 0.000 0.502 902 S N -0.854 114.869 115.700 0.039 0.000 2.558 902 S HA 0.050 4.521 4.470 0.003 0.000 0.217 902 S C 1.505 176.133 174.600 0.046 0.000 0.975 902 S CA 0.601 58.821 58.200 0.034 0.000 0.912 902 S CB 0.536 63.614 63.200 -0.204 0.000 0.776 902 S HN 0.272 nan 8.310 nan 0.000 0.526 903 V N 0.813 120.737 119.914 0.015 0.000 2.992 903 V HA 0.120 4.241 4.120 0.003 0.000 0.250 903 V C 1.905 178.004 176.094 0.009 0.000 1.090 903 V CA 0.599 62.902 62.300 0.006 0.000 1.101 903 V CB -0.187 31.611 31.823 -0.042 0.000 0.743 903 V HN 0.326 nan 8.190 nan 0.000 0.468 904 L N 0.046 121.279 121.223 0.017 0.000 2.023 904 L HA -0.004 4.338 4.340 0.003 0.000 0.205 904 L C 2.375 179.271 176.870 0.043 0.000 1.073 904 L CA 1.748 56.602 54.840 0.023 0.000 0.745 904 L CB -0.434 41.641 42.059 0.026 0.000 0.900 904 L HN 0.104 nan 8.230 nan 0.000 0.435 905 V N -0.666 119.278 119.914 0.050 0.000 2.546 905 V HA -0.311 3.810 4.120 0.003 0.000 0.254 905 V C 2.143 178.258 176.094 0.035 0.000 1.076 905 V CA 2.223 64.545 62.300 0.036 0.000 1.087 905 V CB -0.863 30.926 31.823 -0.057 0.000 0.674 905 V HN 0.561 nan 8.190 nan 0.000 0.470 906 T N -1.191 113.395 114.554 0.053 0.000 3.037 906 T HA 0.265 4.617 4.350 0.003 0.000 0.251 906 T C 1.638 176.384 174.700 0.076 0.000 1.079 906 T CA 0.287 62.429 62.100 0.070 0.000 1.067 906 T CB 0.219 69.150 68.868 0.104 0.000 0.948 906 T HN 0.312 nan 8.240 nan 0.000 0.496 907 I N 0.862 121.476 120.570 0.073 0.000 2.480 907 I HA 0.031 4.203 4.170 0.003 0.000 0.251 907 I C 1.832 178.016 176.117 0.112 0.000 1.124 907 I CA 0.903 62.256 61.300 0.089 0.000 1.444 907 I CB 0.101 38.143 38.000 0.070 0.000 1.098 907 I HN 0.053 nan 8.210 nan 0.000 0.428 908 E N 0.258 120.527 120.200 0.114 0.000 2.437 908 E HA 0.080 4.432 4.350 0.003 0.000 0.189 908 E C 1.611 178.351 176.600 0.233 0.000 1.054 908 E CA 0.214 56.731 56.400 0.195 0.000 0.874 908 E CB 0.432 30.189 29.700 0.096 0.000 1.011 908 E HN 0.356 nan 8.360 nan 0.000 0.474 909 M N -0.885 118.796 119.600 0.134 0.000 2.545 909 M HA 0.016 4.498 4.480 0.003 0.000 0.264 909 M C 1.967 178.301 176.300 0.057 0.000 1.155 909 M CA 0.394 55.749 55.300 0.091 0.000 1.162 909 M CB -0.566 32.070 32.600 0.061 0.000 1.330 909 M HN 0.139 nan 8.290 nan 0.000 0.479 910 C N 0.614 119.956 119.300 0.071 0.000 2.475 910 C HA 0.004 4.466 4.460 0.003 0.000 0.279 910 C C 2.421 177.433 174.990 0.036 0.000 1.322 910 C CA 0.672 59.719 59.018 0.048 0.000 1.734 910 C CB -0.920 26.858 27.740 0.064 0.000 2.005 910 C HN 0.562 nan 8.230 nan 0.000 0.495 911 N N 0.957 119.713 118.700 0.094 0.000 2.494 911 N HA 0.030 4.772 4.740 0.003 0.000 0.182 911 N C 1.629 177.089 175.510 -0.085 0.000 1.076 911 N CA 0.951 54.063 53.050 0.105 0.000 0.908 911 N CB -0.069 38.567 38.487 0.248 0.000 0.967 911 N HN 0.502 nan 8.380 nan 0.000 0.449 912 A N 0.062 122.743 122.820 -0.232 0.000 2.067 912 A HA 0.020 4.342 4.320 0.003 0.000 0.219 912 A C 1.973 179.364 177.584 -0.321 0.000 1.158 912 A CA 0.747 52.411 52.037 -0.620 0.000 0.661 912 A CB -0.141 18.635 19.000 -0.373 0.000 0.801 912 A HN 0.293 nan 8.150 nan 0.000 0.452 913 L N -1.343 119.781 121.223 -0.165 0.000 2.638 913 L HA 0.125 4.467 4.340 0.003 0.000 0.232 913 L C 1.453 178.263 176.870 -0.100 0.000 1.099 913 L CA -0.061 54.709 54.840 -0.117 0.000 0.883 913 L CB -0.231 41.780 42.059 -0.080 0.000 1.136 913 L HN 0.169 nan 8.230 nan 0.000 0.492 914 N N 0.030 118.683 118.700 -0.079 0.000 2.396 914 N HA -0.060 4.681 4.740 0.003 0.000 0.180 914 N C 1.204 176.680 175.510 -0.058 0.000 1.028 914 N CA 0.852 53.870 53.050 -0.053 0.000 0.893 914 N CB 0.229 38.709 38.487 -0.011 0.000 0.967 914 N HN 0.119 nan 8.380 nan 0.000 0.440 915 S N 0.275 115.918 115.700 -0.095 0.000 2.602 915 S HA 0.182 4.654 4.470 0.003 0.000 0.240 915 S C 0.936 175.473 174.600 -0.105 0.000 0.992 915 S CA -0.391 57.755 58.200 -0.090 0.000 0.971 915 S CB 0.435 63.583 63.200 -0.087 0.000 0.855 915 S HN 0.081 nan 8.310 nan 0.000 0.481 916 L N 1.752 122.910 121.223 -0.107 0.000 2.693 916 L HA 0.419 4.761 4.340 0.003 0.000 0.242 916 L C 0.337 177.164 176.870 -0.071 0.000 1.157 916 L CA 0.369 55.157 54.840 -0.086 0.000 0.929 916 L CB -0.690 41.312 42.059 -0.095 0.000 1.103 916 L HN 0.219 nan 8.230 nan 0.000 0.430 917 S N -2.324 113.338 115.700 -0.064 0.000 2.636 917 S HA 0.169 4.641 4.470 0.003 0.000 0.266 917 S C 0.224 174.802 174.600 -0.037 0.000 1.116 917 S CA 0.036 58.205 58.200 -0.052 0.000 0.893 917 S CB 0.355 63.514 63.200 -0.068 0.000 1.171 917 S HN 0.300 nan 8.310 nan 0.000 0.482 918 E N -0.280 119.906 120.200 -0.023 0.000 2.444 918 E HA 0.262 4.614 4.350 0.003 0.000 0.203 918 E C 0.311 176.922 176.600 0.017 0.000 0.847 918 E CA 0.116 56.521 56.400 0.008 0.000 1.142 918 E CB 0.103 29.817 29.700 0.023 0.000 1.125 918 E HN 0.490 nan 8.360 nan 0.000 0.521 919 N N 0.086 118.780 118.700 -0.009 0.000 2.239 919 N HA 0.029 4.771 4.740 0.003 0.000 0.208 919 N C -0.215 175.247 175.510 -0.080 0.000 1.200 919 N CA 0.043 53.076 53.050 -0.028 0.000 0.895 919 N CB 0.680 39.155 38.487 -0.019 0.000 1.085 919 N HN 0.041 nan 8.380 nan 0.000 0.500 920 Q N 2.466 122.219 119.800 -0.078 0.000 2.736 920 Q HA 0.049 4.391 4.340 0.003 0.000 0.234 920 Q C 0.053 175.971 176.000 -0.137 0.000 1.354 920 Q CA 0.009 55.751 55.803 -0.101 0.000 0.891 920 Q CB -0.671 28.015 28.738 -0.086 0.000 1.665 920 Q HN 0.272 nan 8.270 nan 0.000 0.563 921 S N 0.209 115.798 115.700 -0.186 0.000 2.642 921 S HA -0.094 4.378 4.470 0.003 0.000 0.308 921 S C 1.228 175.717 174.600 -0.185 0.000 1.255 921 S CA -0.398 57.664 58.200 -0.231 0.000 1.057 921 S CB 0.528 63.486 63.200 -0.402 0.000 0.785 921 S HN 0.480 nan 8.310 nan 0.000 0.500 922 L N 2.387 123.507 121.223 -0.173 0.000 2.351 922 L HA -0.129 4.213 4.340 0.003 0.000 0.220 922 L C 2.568 179.321 176.870 -0.196 0.000 1.127 922 L CA 1.256 55.977 54.840 -0.198 0.000 0.786 922 L CB -0.947 41.005 42.059 -0.178 0.000 0.914 922 L HN 0.706 nan 8.230 nan 0.000 0.443 923 M N -0.241 119.280 119.600 -0.132 0.000 2.084 923 M HA -0.187 4.294 4.480 0.003 0.000 0.259 923 M C 2.274 178.529 176.300 -0.075 0.000 1.072 923 M CA 1.951 57.212 55.300 -0.065 0.000 1.107 923 M CB -0.534 32.070 32.600 0.007 0.000 1.299 923 M HN 0.222 nan 8.290 nan 0.000 0.413 924 R N -1.240 119.211 120.500 -0.082 0.000 2.210 924 R HA 0.164 4.506 4.340 0.003 0.000 0.203 924 R C 0.887 177.121 176.300 -0.110 0.000 1.010 924 R CA 0.119 56.179 56.100 -0.067 0.000 1.008 924 R CB -0.303 29.971 30.300 -0.044 0.000 0.923 924 R HN 0.357 nan 8.270 nan 0.000 0.469 925 M N 3.088 122.591 119.600 -0.162 0.000 2.088 925 M HA 0.353 4.835 4.480 0.003 0.000 0.346 925 M C -2.617 173.472 176.300 -0.353 0.000 1.111 925 M CA -2.440 52.740 55.300 -0.200 0.000 1.017 925 M CB 1.536 34.037 32.600 -0.164 0.000 1.568 925 M HN -0.251 nan 8.290 nan 0.000 0.445 926 P HA 0.197 nan 4.420 nan 0.000 0.264 926 P C -2.294 174.485 177.300 -0.869 0.000 1.229 926 P CA -0.803 61.711 63.100 -0.977 0.000 0.780 926 P CB -0.089 31.169 31.700 -0.737 0.000 0.808 927 P HA -0.103 nan 4.420 nan 0.000 0.228 927 P C -0.060 177.106 177.300 -0.224 0.000 1.151 927 P CA 0.904 63.749 63.100 -0.426 0.000 0.770 927 P CB -0.323 31.196 31.700 -0.302 0.000 0.786 928 W N -1.890 119.389 121.300 -0.035 0.000 3.221 928 W HA 0.388 5.050 4.660 0.003 0.000 0.436 928 W C 0.490 176.981 176.519 -0.047 0.000 0.913 928 W CA -0.491 56.827 57.345 -0.045 0.000 2.004 928 W CB -1.463 27.970 29.460 -0.046 0.000 1.007 928 W HN -0.317 nan 8.180 nan 0.000 0.838 929 V N 1.009 120.939 119.914 0.027 0.000 2.374 929 V HA -0.088 4.034 4.120 0.003 0.000 0.241 929 V C 1.272 177.379 176.094 0.021 0.000 1.034 929 V CA 0.749 63.065 62.300 0.026 0.000 1.037 929 V CB -0.666 31.145 31.823 -0.019 0.000 0.682 929 V HN 0.214 nan 8.190 nan 0.000 0.463 930 N N 1.264 119.973 118.700 0.014 0.000 2.406 930 N HA 0.158 4.899 4.740 0.003 0.000 0.265 930 N C 0.603 176.077 175.510 -0.060 0.000 1.203 930 N CA -0.037 53.024 53.050 0.019 0.000 0.945 930 N CB 0.900 39.422 38.487 0.057 0.000 1.165 930 N HN 0.399 nan 8.380 nan 0.000 0.485 931 I N 0.409 120.864 120.570 -0.191 0.000 3.444 931 I HA -0.074 4.098 4.170 0.003 0.000 0.287 931 I C 0.866 176.617 176.117 -0.610 0.000 1.302 931 I CA 0.701 61.752 61.300 -0.415 0.000 1.368 931 I CB -0.090 37.561 38.000 -0.581 0.000 1.048 931 I HN 0.594 nan 8.210 nan 0.000 0.487 932 W N -0.584 120.626 121.300 -0.149 0.000 2.915 932 W HA 0.197 4.859 4.660 0.003 0.000 0.276 932 W C 1.667 178.126 176.519 -0.099 0.000 1.215 932 W CA -0.495 56.718 57.345 -0.219 0.000 1.514 932 W CB 0.285 29.428 29.460 -0.528 0.000 1.017 932 W HN -0.038 nan 8.180 nan 0.000 0.598 933 L N 0.751 122.051 121.223 0.129 0.000 2.627 933 L HA 0.238 4.580 4.340 0.003 0.000 0.232 933 L C 0.990 177.878 176.870 0.030 0.000 1.150 933 L CA 1.200 56.088 54.840 0.080 0.000 0.917 933 L CB -0.405 41.682 42.059 0.047 0.000 1.104 933 L HN 0.033 nan 8.230 nan 0.000 0.445 934 L N -2.163 119.063 121.223 0.005 0.000 2.515 934 L HA 0.304 4.646 4.340 0.003 0.000 0.202 934 L C 2.178 179.038 176.870 -0.017 0.000 1.056 934 L CA 0.747 55.575 54.840 -0.020 0.000 0.847 934 L CB -0.855 41.170 42.059 -0.056 0.000 1.131 934 L HN 0.247 nan 8.230 nan 0.000 0.484 935 G N -0.037 108.748 108.800 -0.025 0.000 2.535 935 G HA2 -0.222 3.739 3.960 0.003 0.000 0.218 935 G HA3 -0.222 3.739 3.960 0.003 0.000 0.218 935 G C 1.619 176.559 174.900 0.067 0.000 1.122 935 G CA 1.089 46.198 45.100 0.015 0.000 0.769 935 G HN 0.444 nan 8.290 nan 0.000 0.549 936 S N -0.517 115.228 115.700 0.076 0.000 2.517 936 S HA 0.189 4.661 4.470 0.003 0.000 0.214 936 S C 1.854 176.489 174.600 0.058 0.000 0.991 936 S CA -0.078 58.171 58.200 0.081 0.000 0.906 936 S CB 0.055 63.315 63.200 0.099 0.000 0.789 936 S HN 0.099 nan 8.310 nan 0.000 0.513 937 I N 0.872 121.467 120.570 0.041 0.000 3.526 937 I HA 0.169 4.341 4.170 0.003 0.000 0.294 937 I C 2.154 178.292 176.117 0.036 0.000 1.229 937 I CA 0.090 61.412 61.300 0.037 0.000 1.408 937 I CB -1.438 36.575 38.000 0.021 0.000 1.127 937 I HN 0.383 nan 8.210 nan 0.000 0.439 938 C N 0.870 120.185 119.300 0.024 0.000 2.508 938 C HA -0.068 4.394 4.460 0.003 0.000 0.280 938 C C 2.705 177.723 174.990 0.046 0.000 1.262 938 C CA 0.220 59.246 59.018 0.013 0.000 1.706 938 C CB -0.979 26.755 27.740 -0.011 0.000 2.078 938 C HN 0.427 nan 8.230 nan 0.000 0.480 939 L N 0.876 122.134 121.223 0.059 0.000 2.353 939 L HA -0.037 4.305 4.340 0.003 0.000 0.220 939 L C 2.387 179.328 176.870 0.118 0.000 1.133 939 L CA 1.563 56.455 54.840 0.086 0.000 0.798 939 L CB -0.603 41.504 42.059 0.080 0.000 0.922 939 L HN 0.321 nan 8.230 nan 0.000 0.445 940 S N -1.678 114.085 115.700 0.106 0.000 2.458 940 S HA 0.062 4.533 4.470 0.003 0.000 0.223 940 S C 1.690 176.415 174.600 0.209 0.000 1.019 940 S CA 0.721 58.993 58.200 0.120 0.000 0.937 940 S CB 0.029 63.277 63.200 0.079 0.000 0.788 940 S HN 0.509 nan 8.310 nan 0.000 0.511 941 M N -0.490 119.228 119.600 0.196 0.000 2.449 941 M HA 0.181 4.663 4.480 0.003 0.000 0.262 941 M C 2.136 178.659 176.300 0.371 0.000 1.152 941 M CA 0.212 55.683 55.300 0.285 0.000 1.104 941 M CB -0.102 32.577 32.600 0.132 0.000 1.416 941 M HN 0.292 nan 8.290 nan 0.000 0.519 942 S N 1.491 117.309 115.700 0.197 0.000 2.370 942 S HA -0.059 4.413 4.470 0.003 0.000 0.226 942 S C 1.654 176.422 174.600 0.279 0.000 1.033 942 S CA 1.192 59.479 58.200 0.145 0.000 1.011 942 S CB -0.137 63.097 63.200 0.058 0.000 0.852 942 S HN 0.473 nan 8.310 nan 0.000 0.457 943 L N 0.414 121.827 121.223 0.318 0.000 2.610 943 L HA 0.105 4.447 4.340 0.003 0.000 0.232 943 L C 1.875 179.037 176.870 0.488 0.000 1.149 943 L CA 0.726 55.805 54.840 0.398 0.000 0.872 943 L CB -0.275 42.047 42.059 0.439 0.000 0.992 943 L HN 0.508 nan 8.230 nan 0.000 0.447 944 H N -1.711 117.600 119.070 0.401 0.000 2.539 944 H HA 0.026 4.584 4.556 0.003 0.000 0.269 944 H C 1.510 176.980 175.328 0.236 0.000 0.980 944 H CA 0.682 56.922 56.048 0.320 0.000 1.152 944 H CB 0.344 30.316 29.762 0.350 0.000 1.407 944 H HN 0.160 nan 8.280 nan 0.000 0.564 945 F N -1.036 118.999 119.950 0.141 0.000 2.622 945 F HA 0.105 4.634 4.527 0.003 0.000 0.288 945 F C 1.768 177.660 175.800 0.152 0.000 1.120 945 F CA 0.011 58.118 58.000 0.178 0.000 1.423 945 F CB -0.004 39.168 39.000 0.287 0.000 1.127 945 F HN 0.185 nan 8.300 nan 0.000 0.588 946 L N 0.883 122.275 121.223 0.281 0.000 2.201 946 L HA -0.037 4.305 4.340 0.003 0.000 0.212 946 L C 1.501 178.392 176.870 0.036 0.000 1.105 946 L CA 1.330 56.276 54.840 0.176 0.000 0.775 946 L CB -0.571 41.588 42.059 0.167 0.000 0.913 946 L HN 0.195 nan 8.230 nan 0.000 0.440 947 I N -2.889 117.592 120.570 -0.148 0.000 3.078 947 I HA 0.181 4.353 4.170 0.003 0.000 0.296 947 I C 0.638 176.566 176.117 -0.315 0.000 1.195 947 I CA 0.298 61.407 61.300 -0.319 0.000 1.542 947 I CB 0.005 37.422 38.000 -0.973 0.000 1.414 947 I HN 0.267 nan 8.210 nan 0.000 0.598 948 L N -0.299 120.805 121.223 -0.199 0.000 1.645 948 L HA 0.110 4.452 4.340 0.003 0.000 0.177 948 L C 0.806 177.467 176.870 -0.349 0.000 1.266 948 L CA 0.105 54.721 54.840 -0.373 0.000 1.244 948 L CB -0.057 41.626 42.059 -0.627 0.000 2.568 948 L HN 0.131 nan 8.230 nan 0.000 0.502 949 Y N 0.105 120.405 120.300 -0.000 0.000 2.396 949 Y HA 0.253 4.805 4.550 0.003 0.000 0.292 949 Y C 1.152 177.068 175.900 0.027 0.000 1.128 949 Y CA 0.213 58.330 58.100 0.029 0.000 1.194 949 Y CB 0.389 38.894 38.460 0.076 0.000 1.124 949 Y HN -0.225 nan 8.280 nan 0.000 0.543 950 V N 3.625 123.647 119.914 0.180 0.000 2.459 950 V HA -0.149 3.973 4.120 0.003 0.000 0.255 950 V C 0.594 176.722 176.094 0.058 0.000 1.015 950 V CA 0.111 62.475 62.300 0.107 0.000 1.163 950 V CB -0.712 31.168 31.823 0.094 0.000 1.109 950 V HN 0.421 nan 8.190 nan 0.000 0.473 951 D N 6.309 126.739 120.400 0.049 0.000 2.268 951 D HA -0.215 4.427 4.640 0.003 0.000 0.189 951 D C -0.282 176.010 176.300 -0.013 0.000 1.010 951 D CA 2.015 56.024 54.000 0.016 0.000 0.862 951 D CB -1.349 39.460 40.800 0.015 0.000 0.943 951 D HN 0.472 nan 8.370 nan 0.000 0.451 952 P HA -0.114 nan 4.420 nan 0.000 0.221 952 P C 1.534 178.779 177.300 -0.092 0.000 1.141 952 P CA 0.932 64.008 63.100 -0.041 0.000 0.794 952 P CB -0.078 31.608 31.700 -0.024 0.000 0.764 953 L N -0.553 120.626 121.223 -0.073 0.000 2.265 953 L HA 0.130 4.471 4.340 0.003 0.000 0.195 953 L C -0.583 176.239 176.870 -0.079 0.000 1.083 953 L CA 0.753 55.518 54.840 -0.126 0.000 0.798 953 L CB -2.028 40.055 42.059 0.040 0.000 0.989 953 L HN -0.090 nan 8.230 nan 0.000 0.472 954 P HA -0.222 nan 4.420 nan 0.000 0.226 954 P C 1.580 178.852 177.300 -0.047 0.000 1.146 954 P CA 1.550 64.662 63.100 0.019 0.000 0.773 954 P CB -0.002 31.662 31.700 -0.059 0.000 0.772 955 M N -0.071 119.473 119.600 -0.093 0.000 2.091 955 M HA -0.142 4.340 4.480 0.003 0.000 0.259 955 M C 2.158 178.368 176.300 -0.150 0.000 1.076 955 M CA 2.090 57.326 55.300 -0.107 0.000 1.111 955 M CB -0.537 32.005 32.600 -0.098 0.000 1.291 955 M HN -0.238 nan 8.290 nan 0.000 0.417 956 I N -0.200 120.207 120.570 -0.271 0.000 2.208 956 I HA -0.255 3.916 4.170 0.003 0.000 0.245 956 I C 1.412 177.344 176.117 -0.309 0.000 1.097 956 I CA 0.995 62.084 61.300 -0.351 0.000 1.363 956 I CB -0.702 36.952 38.000 -0.577 0.000 1.051 956 I HN 0.176 nan 8.210 nan 0.000 0.413 957 F N 1.011 120.896 119.950 -0.110 0.000 2.280 957 F HA 0.246 4.775 4.527 0.003 0.000 0.185 957 F C 1.170 176.899 175.800 -0.118 0.000 0.742 957 F CA 0.345 58.270 58.000 -0.124 0.000 1.047 957 F CB -0.454 38.432 39.000 -0.190 0.000 2.211 957 F HN -0.221 nan 8.300 nan 0.000 0.712 958 K N -0.656 119.809 120.400 0.109 0.000 2.213 958 K HA 0.456 4.778 4.320 0.003 0.000 0.254 958 K C -0.825 175.719 176.600 -0.093 0.000 1.062 958 K CA -0.842 55.431 56.287 -0.025 0.000 0.884 958 K CB 0.468 32.940 32.500 -0.047 0.000 1.437 958 K HN 0.194 nan 8.250 nan 0.000 0.464 959 L N 2.291 123.431 121.223 -0.138 0.000 2.482 959 L HA 0.062 4.404 4.340 0.003 0.000 0.273 959 L C 1.077 177.804 176.870 -0.238 0.000 1.228 959 L CA 0.062 54.796 54.840 -0.178 0.000 0.827 959 L CB 0.230 42.170 42.059 -0.197 0.000 1.099 959 L HN 0.515 nan 8.230 nan 0.000 0.494 960 K N 1.677 121.927 120.400 -0.250 0.000 2.187 960 K HA 0.525 4.846 4.320 0.003 0.000 0.247 960 K C -0.543 175.855 176.600 -0.335 0.000 1.019 960 K CA -0.671 55.409 56.287 -0.346 0.000 0.893 960 K CB 0.511 32.804 32.500 -0.344 0.000 1.025 960 K HN 0.523 nan 8.250 nan 0.000 0.500 961 A N 2.597 125.192 122.820 -0.376 0.000 2.288 961 A HA 0.491 4.812 4.320 0.003 0.000 0.320 961 A C -0.333 177.200 177.584 -0.085 0.000 1.217 961 A CA -1.023 50.806 52.037 -0.347 0.000 0.840 961 A CB 0.335 19.009 19.000 -0.543 0.000 1.179 961 A HN 0.658 nan 8.150 nan 0.000 0.504 962 L N 0.997 122.185 121.223 -0.059 0.000 2.492 962 L HA 0.546 4.887 4.340 0.003 0.000 0.263 962 L C 0.504 177.518 176.870 0.240 0.000 1.062 962 L CA -0.674 54.245 54.840 0.132 0.000 0.817 962 L CB 1.083 43.186 42.059 0.072 0.000 1.441 962 L HN 0.849 nan 8.230 nan 0.000 0.493 963 D N -0.078 120.488 120.400 0.276 0.000 2.582 963 D HA 0.150 4.792 4.640 0.003 0.000 0.246 963 D C -0.593 175.841 176.300 0.224 0.000 1.334 963 D CA -0.209 53.987 54.000 0.325 0.000 0.805 963 D CB -0.046 40.978 40.800 0.373 0.000 1.087 963 D HN 0.194 nan 8.370 nan 0.000 0.499 964 L N -1.787 119.547 121.223 0.185 0.000 2.295 964 L HA 0.764 5.106 4.340 0.003 0.000 0.281 964 L C 0.355 177.332 176.870 0.178 0.000 1.018 964 L CA -0.236 54.697 54.840 0.154 0.000 0.841 964 L CB 1.218 43.351 42.059 0.124 0.000 1.218 964 L HN -0.004 nan 8.230 nan 0.000 0.424 965 T N 1.040 115.683 114.554 0.149 0.000 5.983 965 T HA -0.227 4.125 4.350 0.003 0.000 0.274 965 T C 1.113 175.914 174.700 0.168 0.000 2.195 965 T CA 1.844 64.009 62.100 0.108 0.000 3.709 965 T CB -1.021 67.924 68.868 0.128 0.000 0.873 965 T HN 0.761 nan 8.240 nan 0.000 1.045 966 Q N -1.224 118.720 119.800 0.240 0.000 2.462 966 Q HA 0.390 4.732 4.340 0.003 0.000 0.224 966 Q C 1.590 177.552 176.000 -0.063 0.000 0.911 966 Q CA 0.599 56.517 55.803 0.191 0.000 0.925 966 Q CB 0.062 28.845 28.738 0.075 0.000 1.063 966 Q HN 0.754 nan 8.270 nan 0.000 0.572 967 W N -0.286 121.099 121.300 0.143 0.000 3.103 967 W HA 0.330 4.992 4.660 0.003 0.000 0.325 967 W C 1.011 177.578 176.519 0.081 0.000 1.170 967 W CA -0.203 57.209 57.345 0.112 0.000 1.712 967 W CB 0.678 30.220 29.460 0.136 0.000 1.068 967 W HN 0.031 nan 8.180 nan 0.000 0.592 968 L N -0.281 121.105 121.223 0.272 0.000 2.179 968 L HA -0.081 4.261 4.340 0.003 0.000 0.208 968 L C 2.175 179.092 176.870 0.078 0.000 1.096 968 L CA 0.789 55.724 54.840 0.159 0.000 0.779 968 L CB -0.321 41.809 42.059 0.119 0.000 0.922 968 L HN 0.057 nan 8.230 nan 0.000 0.443 969 M N -1.238 118.379 119.600 0.029 0.000 2.567 969 M HA 0.086 4.568 4.480 0.003 0.000 0.261 969 M C 1.751 178.017 176.300 -0.056 0.000 1.180 969 M CA 1.059 56.317 55.300 -0.070 0.000 1.143 969 M CB 0.107 32.596 32.600 -0.186 0.000 1.319 969 M HN -0.160 nan 8.290 nan 0.000 0.490 970 V N 0.652 120.574 119.914 0.014 0.000 2.568 970 V HA -0.241 3.881 4.120 0.003 0.000 0.253 970 V C 2.279 178.433 176.094 0.099 0.000 1.072 970 V CA 1.928 64.254 62.300 0.043 0.000 1.084 970 V CB -0.698 31.165 31.823 0.068 0.000 0.676 970 V HN 0.598 nan 8.190 nan 0.000 0.469 971 L N -0.872 120.431 121.223 0.133 0.000 2.416 971 L HA 0.052 4.394 4.340 0.003 0.000 0.216 971 L C 2.283 179.187 176.870 0.056 0.000 1.098 971 L CA 0.918 55.830 54.840 0.119 0.000 0.840 971 L CB -0.063 42.082 42.059 0.143 0.000 0.981 971 L HN 0.182 nan 8.230 nan 0.000 0.462 972 K N 0.158 120.568 120.400 0.016 0.000 2.137 972 K HA -0.082 4.240 4.320 0.003 0.000 0.202 972 K C 1.713 178.296 176.600 -0.029 0.000 1.052 972 K CA 1.211 57.489 56.287 -0.015 0.000 0.961 972 K CB -0.132 32.337 32.500 -0.052 0.000 0.741 972 K HN 0.244 nan 8.250 nan 0.000 0.452 973 I N 0.268 120.802 120.570 -0.060 0.000 2.928 973 I HA -0.025 4.147 4.170 0.003 0.000 0.266 973 I C 1.410 177.545 176.117 0.029 0.000 1.234 973 I CA 0.896 62.155 61.300 -0.068 0.000 1.483 973 I CB -0.075 37.820 38.000 -0.174 0.000 1.097 973 I HN 0.067 nan 8.210 nan 0.000 0.455 974 S N -0.021 115.707 115.700 0.046 0.000 2.341 974 S HA 0.002 4.474 4.470 0.003 0.000 0.216 974 S C 1.737 176.413 174.600 0.128 0.000 1.034 974 S CA 0.702 58.959 58.200 0.095 0.000 0.964 974 S CB -0.360 62.886 63.200 0.077 0.000 0.882 974 S HN 0.302 nan 8.310 nan 0.000 0.469 975 L N 2.151 123.423 121.223 0.082 0.000 2.171 975 L HA -0.127 4.215 4.340 0.003 0.000 0.216 975 L C -1.272 175.626 176.870 0.047 0.000 1.084 975 L CA 1.759 56.635 54.840 0.061 0.000 0.771 975 L CB -2.053 40.032 42.059 0.043 0.000 0.890 975 L HN 0.232 nan 8.230 nan 0.000 0.437 976 P HA -0.118 nan 4.420 nan 0.000 0.234 976 P C 1.893 179.109 177.300 -0.140 0.000 1.162 976 P CA 0.760 63.843 63.100 -0.029 0.000 0.759 976 P CB 0.047 31.755 31.700 0.013 0.000 0.813 977 V N -0.937 118.977 119.914 -0.000 0.000 2.725 977 V HA -0.084 4.038 4.120 0.003 0.000 0.247 977 V C 1.874 177.956 176.094 -0.018 0.000 1.058 977 V CA 0.941 63.238 62.300 -0.005 0.000 1.080 977 V CB -0.556 31.369 31.823 0.169 0.000 0.713 977 V HN -0.023 nan 8.190 nan 0.000 0.465 978 I N 0.767 121.338 120.570 0.001 0.000 2.454 978 I HA -0.085 4.087 4.170 0.003 0.000 0.254 978 I C 2.397 178.504 176.117 -0.017 0.000 1.156 978 I CA 1.502 62.798 61.300 -0.007 0.000 1.433 978 I CB -0.813 37.189 38.000 0.003 0.000 1.082 978 I HN 0.436 nan 8.210 nan 0.000 0.432 979 G N 1.053 109.837 108.800 -0.026 0.000 2.411 979 G HA2 -0.154 3.808 3.960 0.003 0.000 0.213 979 G HA3 -0.154 3.808 3.960 0.003 0.000 0.213 979 G C 1.611 176.490 174.900 -0.036 0.000 1.166 979 G CA 0.155 45.246 45.100 -0.014 0.000 0.802 979 G HN 0.253 nan 8.290 nan 0.000 0.533 980 L N 1.077 122.230 121.223 -0.117 0.000 2.043 980 L HA -0.087 4.255 4.340 0.003 0.000 0.212 980 L C 1.880 178.713 176.870 -0.061 0.000 1.075 980 L CA 2.721 57.467 54.840 -0.156 0.000 0.752 980 L CB -0.588 41.274 42.059 -0.328 0.000 0.891 980 L HN 0.173 nan 8.230 nan 0.000 0.432 981 D N -1.356 119.019 120.400 -0.043 0.000 2.213 981 D HA -0.125 4.516 4.640 0.003 0.000 0.205 981 D C 2.075 178.371 176.300 -0.007 0.000 0.961 981 D CA 0.681 54.672 54.000 -0.014 0.000 0.853 981 D CB 0.212 41.002 40.800 -0.015 0.000 0.967 981 D HN 0.474 nan 8.370 nan 0.000 0.496 982 E N -0.168 120.020 120.200 -0.020 0.000 2.106 982 E HA -0.058 4.293 4.350 0.003 0.000 0.192 982 E C 1.554 178.168 176.600 0.024 0.000 0.984 982 E CA 0.818 57.178 56.400 -0.066 0.000 0.806 982 E CB 0.021 29.709 29.700 -0.020 0.000 0.750 982 E HN 0.240 nan 8.360 nan 0.000 0.458 983 I N 0.409 121.073 120.570 0.156 0.000 3.684 983 I HA -0.012 4.160 4.170 0.003 0.000 0.304 983 I C 1.595 177.849 176.117 0.227 0.000 1.278 983 I CA 0.505 61.973 61.300 0.281 0.000 1.272 983 I CB -0.374 37.742 38.000 0.195 0.000 1.029 983 I HN 0.204 nan 8.210 nan 0.000 0.458 984 L N -0.002 121.319 121.223 0.163 0.000 2.554 984 L HA 0.050 4.392 4.340 0.003 0.000 0.225 984 L C 2.230 179.268 176.870 0.279 0.000 1.104 984 L CA 0.439 55.410 54.840 0.219 0.000 0.866 984 L CB 0.145 42.281 42.059 0.129 0.000 1.047 984 L HN 0.086 nan 8.230 nan 0.000 0.468 985 K N -0.768 119.713 120.400 0.135 0.000 2.202 985 K HA 0.043 4.364 4.320 0.003 0.000 0.201 985 K C 1.688 178.301 176.600 0.023 0.000 1.051 985 K CA 0.741 57.059 56.287 0.052 0.000 0.977 985 K CB 0.125 32.538 32.500 -0.146 0.000 0.792 985 K HN 0.114 nan 8.250 nan 0.000 0.469 986 F N 0.976 120.988 119.950 0.103 0.000 2.494 986 F HA -0.071 4.458 4.527 0.003 0.000 0.298 986 F C 1.578 177.443 175.800 0.109 0.000 1.106 986 F CA 0.588 58.636 58.000 0.079 0.000 1.452 986 F CB 0.015 39.057 39.000 0.069 0.000 1.085 986 F HN -0.017 nan 8.300 nan 0.000 0.569 987 I N -1.008 119.745 120.570 0.305 0.000 3.793 987 I HA 0.068 4.240 4.170 0.003 0.000 0.315 987 I C 1.607 177.775 176.117 0.086 0.000 1.275 987 I CA 0.559 62.015 61.300 0.260 0.000 1.214 987 I CB -0.082 38.133 38.000 0.358 0.000 1.018 987 I HN 0.092 nan 8.210 nan 0.000 0.439 988 A N 0.178 122.992 122.820 -0.009 0.000 2.644 988 A HA 0.152 4.474 4.320 0.003 0.000 0.193 988 A C 1.982 179.473 177.584 -0.155 0.000 1.464 988 A CA -0.290 51.566 52.037 -0.302 0.000 1.095 988 A CB 0.026 18.463 19.000 -0.939 0.000 1.405 988 A HN 0.204 nan 8.150 nan 0.000 0.558 989 R N 0.423 120.895 120.500 -0.046 0.000 2.052 989 R HA 0.014 4.355 4.340 0.003 0.000 0.224 989 R C 1.899 178.176 176.300 -0.037 0.000 1.149 989 R CA 1.378 57.451 56.100 -0.046 0.000 0.962 989 R CB -0.364 29.900 30.300 -0.059 0.000 0.856 989 R HN 0.416 nan 8.270 nan 0.000 0.433 990 N N -0.558 118.151 118.700 0.015 0.000 2.080 990 N HA -0.130 4.611 4.740 0.003 0.000 0.189 990 N C -0.462 174.906 175.510 -0.236 0.000 1.036 990 N CA 1.040 54.040 53.050 -0.083 0.000 0.846 990 N CB 0.189 38.679 38.487 0.005 0.000 1.015 990 N HN 0.134 nan 8.380 nan 0.000 0.423 991 Y N 0.636 120.937 120.300 0.001 0.000 2.388 991 Y HA 0.286 4.838 4.550 0.003 0.000 0.328 991 Y C 0.316 176.155 175.900 -0.102 0.000 0.963 991 Y CA -0.548 57.529 58.100 -0.039 0.000 1.240 991 Y CB 1.447 39.892 38.460 -0.025 0.000 1.118 991 Y HN -0.063 nan 8.280 nan 0.000 0.484 992 L N 2.655 123.881 121.223 0.004 0.000 2.685 992 L HA 0.289 4.631 4.340 0.003 0.000 0.233 992 L C 0.654 177.443 176.870 -0.134 0.000 1.173 992 L CA 0.742 55.507 54.840 -0.124 0.000 0.961 992 L CB -0.545 41.442 42.059 -0.120 0.000 1.217 992 L HN 0.689 nan 8.230 nan 0.000 0.478 993 E N -1.862 118.295 120.200 -0.072 0.000 3.916 993 E HA -0.200 4.152 4.350 0.003 0.000 0.331 993 E C 0.887 177.461 176.600 -0.043 0.000 0.729 993 E CA 0.928 57.285 56.400 -0.071 0.000 1.222 993 E CB -1.989 27.638 29.700 -0.122 0.000 1.633 993 E HN 0.604 nan 8.360 nan 0.000 0.437 994 G N 0.000 108.780 108.800 -0.033 0.000 5.446 994 G HA2 0.000 3.962 3.960 0.003 0.000 0.244 994 G HA3 0.000 3.962 3.960 0.003 0.000 0.244 994 G CA 0.000 45.087 45.100 -0.022 0.000 0.502 994 G HN 0.000 nan 8.290 nan 0.000 0.925