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 3fgo_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 0.000 176.160 176.300 -0.233 0.000 1.140 1 M CA 0.000 55.107 55.300 -0.322 0.000 0.988 1 M CB 0.000 32.224 32.600 -0.626 0.000 1.302 2 E N 3.709 123.799 120.200 -0.182 0.000 2.366 2 E HA 0.639 4.974 4.350 -0.024 0.000 0.266 2 E C 0.601 177.125 176.600 -0.126 0.000 1.051 2 E CA 0.297 56.645 56.400 -0.086 0.000 0.884 2 E CB 1.237 30.923 29.700 -0.024 0.000 1.006 2 E HN 1.067 nan 8.360 nan 0.000 0.417 3 A N 1.833 124.625 122.820 -0.048 0.000 2.872 3 A HA -0.249 4.056 4.320 -0.024 0.000 0.273 3 A C 1.520 178.958 177.584 -0.243 0.000 1.442 3 A CA 0.985 52.937 52.037 -0.143 0.000 0.801 3 A CB -2.237 16.663 19.000 -0.166 0.000 1.031 3 A HN 1.140 nan 8.150 nan 0.000 0.582 4 A N 0.428 123.173 122.820 -0.125 0.000 1.948 4 A HA -0.217 4.089 4.320 -0.024 0.000 0.220 4 A C 1.847 179.381 177.584 -0.085 0.000 1.177 4 A CA 2.170 54.141 52.037 -0.110 0.000 0.636 4 A CB -1.059 17.914 19.000 -0.045 0.000 0.815 4 A HN 1.701 nan 8.150 nan 0.000 0.449 5 H N -0.267 118.795 119.070 -0.013 0.000 2.489 5 H HA -0.048 4.494 4.556 -0.024 0.000 0.293 5 H C 1.752 177.093 175.328 0.023 0.000 1.066 5 H CA 1.722 57.775 56.048 0.008 0.000 1.305 5 H CB -0.538 29.247 29.762 0.038 0.000 1.386 5 H HN 0.583 nan 8.280 nan 0.000 0.551 6 S N -0.216 115.150 115.700 -0.556 0.000 2.535 6 S HA 0.153 4.608 4.470 -0.024 0.000 0.214 6 S C 0.651 175.168 174.600 -0.138 0.000 0.980 6 S CA -0.637 57.378 58.200 -0.308 0.000 0.907 6 S CB 0.340 63.312 63.200 -0.381 0.000 0.790 6 S HN 0.235 nan 8.310 nan 0.000 0.510 7 K N 2.653 122.976 120.400 -0.128 0.000 2.118 7 K HA 0.415 4.721 4.320 -0.024 0.000 0.264 7 K C 0.361 176.948 176.600 -0.023 0.000 1.000 7 K CA -0.242 56.005 56.287 -0.067 0.000 0.929 7 K CB 1.140 33.595 32.500 -0.076 0.000 1.021 7 K HN 0.391 nan 8.250 nan 0.000 0.463 8 S N -0.074 115.624 115.700 -0.004 0.000 2.589 8 S HA -0.045 4.410 4.470 -0.024 0.000 0.265 8 S C 1.508 176.120 174.600 0.021 0.000 1.342 8 S CA 0.052 58.260 58.200 0.013 0.000 1.005 8 S CB 0.899 64.107 63.200 0.013 0.000 0.909 8 S HN 0.762 nan 8.310 nan 0.000 0.555 9 T N -0.287 114.285 114.554 0.029 0.000 2.665 9 T HA -0.219 4.117 4.350 -0.024 0.000 0.268 9 T C 1.594 176.318 174.700 0.041 0.000 1.035 9 T CA 1.486 63.607 62.100 0.035 0.000 1.151 9 T CB -0.905 67.983 68.868 0.034 0.000 0.862 9 T HN 0.822 nan 8.240 nan 0.000 0.438 10 E N 2.124 122.344 120.200 0.033 0.000 2.110 10 E HA -0.192 4.144 4.350 -0.024 0.000 0.193 10 E C 1.978 178.606 176.600 0.046 0.000 0.988 10 E CA 1.423 57.845 56.400 0.037 0.000 0.804 10 E CB -0.565 29.151 29.700 0.026 0.000 0.745 10 E HN 0.759 nan 8.360 nan 0.000 0.458 11 E N 0.522 120.744 120.200 0.037 0.000 2.150 11 E HA -0.096 4.239 4.350 -0.024 0.000 0.193 11 E C 2.302 178.941 176.600 0.065 0.000 0.985 11 E CA 1.287 57.712 56.400 0.042 0.000 0.814 11 E CB -0.285 29.428 29.700 0.022 0.000 0.752 11 E HN 0.268 nan 8.360 nan 0.000 0.466 12 C N 0.808 120.143 119.300 0.059 0.000 2.432 12 C HA -0.105 4.340 4.460 -0.024 0.000 0.277 12 C C 2.600 177.712 174.990 0.203 0.000 1.249 12 C CA 0.444 59.521 59.018 0.097 0.000 1.725 12 C CB -0.939 26.851 27.740 0.083 0.000 2.028 12 C HN 0.377 nan 8.230 nan 0.000 0.477 13 L N 1.460 122.780 121.223 0.161 0.000 2.042 13 L HA -0.173 4.153 4.340 -0.024 0.000 0.210 13 L C 2.892 179.872 176.870 0.183 0.000 1.076 13 L CA 1.784 56.735 54.840 0.185 0.000 0.749 13 L CB -0.860 41.267 42.059 0.113 0.000 0.893 13 L HN 0.338 nan 8.230 nan 0.000 0.432 14 A N -0.815 122.076 122.820 0.118 0.000 1.902 14 A HA -0.293 4.012 4.320 -0.024 0.000 0.217 14 A C 2.234 179.850 177.584 0.054 0.000 1.181 14 A CA 1.539 53.622 52.037 0.077 0.000 0.623 14 A CB -1.029 17.998 19.000 0.045 0.000 0.818 14 A HN 0.487 nan 8.150 nan 0.000 0.443 15 Y N -0.980 119.258 120.300 -0.103 0.000 2.228 15 Y HA -0.271 4.265 4.550 -0.024 0.000 0.285 15 Y C 1.597 177.281 175.900 -0.361 0.000 1.178 15 Y CA 2.286 60.206 58.100 -0.300 0.000 1.202 15 Y CB -0.227 37.924 38.460 -0.515 0.000 0.974 15 Y HN 0.333 nan 8.280 nan 0.000 0.527 16 F N -1.219 118.846 119.950 0.190 0.000 2.720 16 F HA 0.306 4.819 4.527 -0.024 0.000 0.301 16 F C 1.574 177.452 175.800 0.128 0.000 1.103 16 F CA 0.267 58.377 58.000 0.184 0.000 1.291 16 F CB 0.394 39.547 39.000 0.256 0.000 1.086 16 F HN -0.033 nan 8.300 nan 0.000 0.592 17 G N 2.383 111.315 108.800 0.221 0.000 2.351 17 G HA2 -0.095 3.850 3.960 -0.024 0.000 0.297 17 G HA3 -0.095 3.850 3.960 -0.024 0.000 0.297 17 G C -0.486 174.500 174.900 0.145 0.000 1.054 17 G CA 0.277 45.461 45.100 0.141 0.000 1.123 17 G HN 0.602 nan 8.290 nan 0.000 0.512 18 V N -2.198 117.806 119.914 0.151 0.000 2.789 18 V HA 0.929 5.035 4.120 -0.024 0.000 0.311 18 V C 0.243 176.382 176.094 0.076 0.000 1.073 18 V CA -0.225 62.139 62.300 0.106 0.000 0.921 18 V CB 2.005 33.896 31.823 0.113 0.000 1.009 18 V HN 1.510 nan 8.190 nan 0.000 0.426 19 S N 2.155 117.882 115.700 0.046 0.000 2.523 19 S HA 0.254 4.710 4.470 -0.024 0.000 0.275 19 S C 0.928 175.540 174.600 0.020 0.000 1.281 19 S CA 0.466 58.683 58.200 0.028 0.000 1.050 19 S CB 1.071 64.279 63.200 0.014 0.000 0.937 19 S HN 1.115 nan 8.310 nan 0.000 0.492 20 E N 2.728 122.935 120.200 0.012 0.000 2.160 20 E HA -0.154 4.181 4.350 -0.024 0.000 0.195 20 E C 0.917 177.487 176.600 -0.051 0.000 0.991 20 E CA 1.583 57.979 56.400 -0.007 0.000 0.810 20 E CB -0.128 29.567 29.700 -0.009 0.000 0.742 20 E HN 0.821 nan 8.360 nan 0.000 0.466 21 T N -2.711 111.809 114.554 -0.057 0.000 3.258 21 T HA 0.288 4.623 4.350 -0.024 0.000 0.259 21 T C 0.538 175.199 174.700 -0.065 0.000 0.963 21 T CA -0.173 61.865 62.100 -0.102 0.000 0.919 21 T CB 1.004 69.818 68.868 -0.090 0.000 1.110 21 T HN -0.069 nan 8.240 nan 0.000 0.550 22 T N -0.305 114.233 114.554 -0.026 0.000 3.525 22 T HA 0.556 4.891 4.350 -0.024 0.000 0.286 22 T C 0.879 175.606 174.700 0.045 0.000 0.944 22 T CA 0.530 62.636 62.100 0.010 0.000 1.063 22 T CB 0.278 69.152 68.868 0.010 0.000 1.179 22 T HN 0.958 nan 8.240 nan 0.000 0.493 23 G N 1.673 110.496 108.800 0.038 0.000 2.760 23 G HA2 -0.145 3.801 3.960 -0.024 0.000 0.246 23 G HA3 -0.145 3.801 3.960 -0.024 0.000 0.246 23 G C -0.656 174.251 174.900 0.011 0.000 1.359 23 G CA -0.611 44.514 45.100 0.041 0.000 0.861 23 G HN 0.538 nan 8.290 nan 0.000 0.541 24 L N 1.048 122.258 121.223 -0.021 0.000 2.461 24 L HA 0.421 4.747 4.340 -0.024 0.000 0.272 24 L C 1.846 178.687 176.870 -0.047 0.000 1.197 24 L CA 0.121 54.923 54.840 -0.063 0.000 0.836 24 L CB 0.524 42.501 42.059 -0.137 0.000 1.105 24 L HN 1.022 nan 8.230 nan 0.000 0.477 25 T N -1.105 113.417 114.554 -0.053 0.000 2.868 25 T HA 0.187 4.523 4.350 -0.024 0.000 0.292 25 T C -1.837 172.833 174.700 -0.050 0.000 1.028 25 T CA -1.646 60.432 62.100 -0.038 0.000 1.059 25 T CB 1.195 70.047 68.868 -0.027 0.000 0.991 25 T HN 0.357 nan 8.240 nan 0.000 0.531 26 P HA -0.117 nan 4.420 nan 0.000 0.216 26 P C 1.213 178.492 177.300 -0.035 0.000 1.154 26 P CA 1.077 64.159 63.100 -0.029 0.000 0.865 26 P CB 0.031 31.722 31.700 -0.015 0.000 0.789 27 D N -0.909 119.473 120.400 -0.031 0.000 2.097 27 D HA -0.160 4.466 4.640 -0.024 0.000 0.195 27 D C 2.091 178.363 176.300 -0.047 0.000 0.989 27 D CA 1.128 55.112 54.000 -0.025 0.000 0.827 27 D CB -0.447 40.345 40.800 -0.013 0.000 0.966 27 D HN 0.285 nan 8.370 nan 0.000 0.456 28 Q N 0.238 119.983 119.800 -0.091 0.000 2.096 28 Q HA -0.127 4.199 4.340 -0.024 0.000 0.204 28 Q C 2.416 178.235 176.000 -0.302 0.000 0.982 28 Q CA 0.937 56.609 55.803 -0.219 0.000 0.850 28 Q CB -0.013 28.565 28.738 -0.267 0.000 0.901 28 Q HN 0.146 nan 8.270 nan 0.000 0.422 29 V N 1.152 120.956 119.914 -0.184 0.000 2.295 29 V HA -0.296 3.809 4.120 -0.024 0.000 0.246 29 V C 2.291 178.361 176.094 -0.040 0.000 1.049 29 V CA 2.104 64.333 62.300 -0.119 0.000 1.024 29 V CB -0.502 31.278 31.823 -0.072 0.000 0.648 29 V HN 0.340 nan 8.190 nan 0.000 0.447 30 K N -0.066 120.317 120.400 -0.028 0.000 2.057 30 K HA -0.243 4.063 4.320 -0.024 0.000 0.207 30 K C 2.322 178.937 176.600 0.025 0.000 1.049 30 K CA 1.648 57.933 56.287 -0.003 0.000 0.931 30 K CB -0.130 32.368 32.500 -0.002 0.000 0.714 30 K HN 0.166 nan 8.250 nan 0.000 0.440 31 R N 0.145 120.673 120.500 0.047 0.000 2.081 31 R HA -0.070 4.256 4.340 -0.024 0.000 0.235 31 R C 1.992 178.409 176.300 0.195 0.000 1.131 31 R CA 2.024 58.187 56.100 0.105 0.000 0.960 31 R CB -0.433 29.948 30.300 0.136 0.000 0.856 31 R HN 0.513 nan 8.270 nan 0.000 0.436 32 H N -1.279 117.822 119.070 0.052 0.000 2.395 32 H HA -0.076 4.465 4.556 -0.024 0.000 0.299 32 H C 1.555 176.951 175.328 0.113 0.000 1.070 32 H CA 0.804 56.946 56.048 0.156 0.000 1.356 32 H CB 0.156 30.063 29.762 0.242 0.000 1.401 32 H HN 0.067 nan 8.280 nan 0.000 0.524 33 L N 1.574 122.879 121.223 0.138 0.000 2.131 33 L HA -0.147 4.179 4.340 -0.024 0.000 0.210 33 L C 1.913 178.749 176.870 -0.057 0.000 1.092 33 L CA 1.535 56.356 54.840 -0.030 0.000 0.759 33 L CB -0.396 41.591 42.059 -0.119 0.000 0.903 33 L HN 0.240 nan 8.230 nan 0.000 0.435 34 E N -1.082 119.104 120.200 -0.023 0.000 2.051 34 E HA -0.223 4.113 4.350 -0.024 0.000 0.189 34 E C 2.107 178.658 176.600 -0.083 0.000 0.979 34 E CA 0.971 57.347 56.400 -0.040 0.000 0.803 34 E CB -0.051 29.634 29.700 -0.024 0.000 0.761 34 E HN 0.352 nan 8.360 nan 0.000 0.451 35 K N -0.016 120.285 120.400 -0.166 0.000 2.057 35 K HA -0.127 4.179 4.320 -0.024 0.000 0.206 35 K C 1.130 177.486 176.600 -0.406 0.000 1.050 35 K CA 1.316 57.374 56.287 -0.382 0.000 0.935 35 K CB 0.091 32.156 32.500 -0.725 0.000 0.715 35 K HN 0.175 nan 8.250 nan 0.000 0.439 36 Y N -0.357 119.945 120.300 0.004 0.000 2.445 36 Y HA 0.249 4.784 4.550 -0.024 0.000 0.247 36 Y C 0.826 176.729 175.900 0.005 0.000 1.129 36 Y CA -0.227 57.879 58.100 0.011 0.000 1.251 36 Y CB 1.275 39.745 38.460 0.017 0.000 1.176 36 Y HN 0.266 nan 8.280 nan 0.000 0.522 37 G N 0.688 109.542 108.800 0.090 0.000 2.877 37 G HA2 -0.235 3.710 3.960 -0.024 0.000 0.279 37 G HA3 -0.235 3.710 3.960 -0.024 0.000 0.279 37 G C -0.644 174.264 174.900 0.014 0.000 1.431 37 G CA -0.701 44.434 45.100 0.058 0.000 0.883 37 G HN 0.386 nan 8.290 nan 0.000 0.547 38 H N -0.007 119.107 119.070 0.073 0.000 2.671 38 H HA 0.216 4.757 4.556 -0.024 0.000 0.372 38 H C 0.919 176.280 175.328 0.055 0.000 1.227 38 H CA 0.436 56.520 56.048 0.060 0.000 1.426 38 H CB 0.811 30.598 29.762 0.041 0.000 1.480 38 H HN 0.483 nan 8.280 nan 0.000 0.611 39 N N 1.817 120.617 118.700 0.167 0.000 2.968 39 N HA -0.003 4.723 4.740 -0.024 0.000 0.271 39 N C -0.949 174.615 175.510 0.090 0.000 1.174 39 N CA -0.228 52.882 53.050 0.099 0.000 1.096 39 N CB -0.173 38.351 38.487 0.062 0.000 1.403 39 N HN 0.627 nan 8.380 nan 0.000 0.522 40 E N 1.047 121.300 120.200 0.089 0.000 2.407 40 E HA 0.282 4.618 4.350 -0.024 0.000 0.279 40 E C -1.342 175.293 176.600 0.057 0.000 1.012 40 E CA -0.898 55.542 56.400 0.066 0.000 0.800 40 E CB 0.730 30.463 29.700 0.056 0.000 1.276 40 E HN 0.070 nan 8.360 nan 0.000 0.452 41 L N 1.624 122.874 121.223 0.046 0.000 2.292 41 L HA 0.454 4.779 4.340 -0.024 0.000 0.284 41 L C -2.107 174.782 176.870 0.032 0.000 1.065 41 L CA -2.088 52.775 54.840 0.039 0.000 0.806 41 L CB 0.492 42.573 42.059 0.037 0.000 1.175 41 L HN 0.421 nan 8.230 nan 0.000 0.431 42 P HA 0.106 nan 4.420 nan 0.000 0.268 42 P C -0.689 176.622 177.300 0.018 0.000 1.208 42 P CA -0.250 62.863 63.100 0.022 0.000 0.777 42 P CB 0.624 32.337 31.700 0.022 0.000 0.875 43 A N 1.325 124.153 122.820 0.013 0.000 2.282 43 A HA 0.524 4.829 4.320 -0.024 0.000 0.319 43 A C -0.207 177.384 177.584 0.010 0.000 1.121 43 A CA -0.428 51.616 52.037 0.011 0.000 0.836 43 A CB 0.403 19.407 19.000 0.008 0.000 1.146 43 A HN 0.615 nan 8.150 nan 0.000 0.494 44 E N 0.636 120.843 120.200 0.011 0.000 2.246 44 E HA 0.372 4.707 4.350 -0.024 0.000 0.266 44 E C -0.383 176.224 176.600 0.012 0.000 0.880 44 E CA -0.385 56.021 56.400 0.010 0.000 0.762 44 E CB 1.328 31.034 29.700 0.009 0.000 1.180 44 E HN 0.694 nan 8.360 nan 0.000 0.416 45 E N 2.809 123.017 120.200 0.013 0.000 2.057 45 E HA 0.194 4.530 4.350 -0.024 0.000 0.191 45 E C 0.382 176.995 176.600 0.021 0.000 0.959 45 E CA 0.454 56.865 56.400 0.018 0.000 0.828 45 E CB 0.187 29.899 29.700 0.019 0.000 0.800 45 E HN 0.787 nan 8.360 nan 0.000 0.460 46 G N 2.215 111.028 108.800 0.021 0.000 2.600 46 G HA2 -0.245 3.700 3.960 -0.024 0.000 0.251 46 G HA3 -0.245 3.700 3.960 -0.024 0.000 0.251 46 G C -0.800 174.120 174.900 0.032 0.000 1.142 46 G CA 0.129 45.242 45.100 0.021 0.000 0.994 46 G HN 0.142 nan 8.290 nan 0.000 0.511 47 K N -1.613 118.810 120.400 0.039 0.000 7.330 47 K HA -0.065 4.241 4.320 -0.024 0.000 0.618 47 K C 0.847 177.499 176.600 0.086 0.000 2.584 47 K CA 0.778 57.099 56.287 0.058 0.000 1.988 47 K CB -1.342 31.189 32.500 0.053 0.000 2.207 47 K HN 1.574 nan 8.250 nan 0.000 0.233 48 S N 1.519 117.298 115.700 0.132 0.000 2.645 48 S HA 0.370 4.826 4.470 -0.024 0.000 0.266 48 S C 1.537 176.264 174.600 0.212 0.000 1.258 48 S CA -0.281 58.047 58.200 0.213 0.000 0.990 48 S CB 0.624 64.030 63.200 0.342 0.000 0.967 48 S HN 0.638 nan 8.310 nan 0.000 0.556 49 L N -1.915 119.422 121.223 0.189 0.000 2.187 49 L HA 0.019 4.345 4.340 -0.024 0.000 0.213 49 L C 2.167 179.061 176.870 0.041 0.000 1.100 49 L CA 1.086 55.952 54.840 0.044 0.000 0.765 49 L CB -1.333 40.670 42.059 -0.092 0.000 0.904 49 L HN 0.655 nan 8.230 nan 0.000 0.437 50 W N 1.262 122.576 121.300 0.023 0.000 2.333 50 W HA -0.195 4.457 4.660 -0.013 0.000 0.316 50 W C 2.529 179.068 176.519 0.034 0.000 1.215 50 W CA 2.097 59.460 57.345 0.029 0.000 1.278 50 W CB -0.323 29.150 29.460 0.022 0.000 1.154 50 W HN 0.362 nan 8.180 nan 0.000 0.486 51 E N -0.143 120.216 120.200 0.266 0.000 2.152 51 E HA -0.117 4.219 4.350 -0.024 0.000 0.192 51 E C 2.236 178.894 176.600 0.096 0.000 0.983 51 E CA 0.633 57.126 56.400 0.155 0.000 0.818 51 E CB -0.493 29.278 29.700 0.117 0.000 0.758 51 E HN 0.183 nan 8.360 nan 0.000 0.467 52 L N 0.322 121.591 121.223 0.077 0.000 2.376 52 L HA -0.069 4.256 4.340 -0.024 0.000 0.219 52 L C 1.931 178.796 176.870 -0.008 0.000 1.133 52 L CA 0.443 55.299 54.840 0.028 0.000 0.816 52 L CB 0.141 42.213 42.059 0.022 0.000 0.933 52 L HN 0.111 nan 8.230 nan 0.000 0.449 53 V N -0.754 119.165 119.914 0.010 0.000 2.685 53 V HA -0.135 3.970 4.120 -0.024 0.000 0.244 53 V C 2.106 178.225 176.094 0.041 0.000 1.054 53 V CA 0.756 63.044 62.300 -0.021 0.000 1.076 53 V CB 0.415 32.238 31.823 0.000 0.000 0.725 53 V HN 0.179 nan 8.190 nan 0.000 0.467 54 I N 0.253 120.905 120.570 0.136 0.000 2.315 54 I HA -0.155 4.001 4.170 -0.024 0.000 0.248 54 I C 2.323 178.527 176.117 0.143 0.000 1.117 54 I CA 1.410 62.841 61.300 0.218 0.000 1.404 54 I CB -0.456 37.651 38.000 0.179 0.000 1.071 54 I HN 0.350 nan 8.210 nan 0.000 0.419 55 E N -0.216 120.017 120.200 0.056 0.000 2.268 55 E HA -0.212 4.124 4.350 -0.024 0.000 0.195 55 E C 1.937 178.507 176.600 -0.050 0.000 0.995 55 E CA 0.469 56.880 56.400 0.019 0.000 0.836 55 E CB -0.070 29.636 29.700 0.010 0.000 0.763 55 E HN 0.451 nan 8.360 nan 0.000 0.491 56 Q N -0.617 119.080 119.800 -0.172 0.000 2.364 56 Q HA -0.116 4.210 4.340 -0.024 0.000 0.209 56 Q C 1.084 176.801 176.000 -0.472 0.000 0.977 56 Q CA 1.072 56.651 55.803 -0.373 0.000 0.885 56 Q CB 0.104 28.497 28.738 -0.573 0.000 0.941 56 Q HN 0.344 nan 8.270 nan 0.000 0.464 57 F N -0.571 119.386 119.950 0.012 0.000 2.704 57 F HA 0.167 4.676 4.527 -0.030 0.000 0.304 57 F C 1.721 177.525 175.800 0.007 0.000 1.094 57 F CA -0.122 57.883 58.000 0.008 0.000 1.275 57 F CB 0.286 39.289 39.000 0.005 0.000 1.073 57 F HN 0.023 nan 8.300 nan 0.000 0.586 58 E N 0.574 120.854 120.200 0.132 0.000 2.347 58 E HA -0.105 4.231 4.350 -0.024 0.000 0.196 58 E C 0.464 177.098 176.600 0.057 0.000 1.008 58 E CA 0.497 56.950 56.400 0.088 0.000 0.852 58 E CB -0.189 29.548 29.700 0.062 0.000 0.783 58 E HN 0.444 nan 8.360 nan 0.000 0.505 59 D N 0.411 120.837 120.400 0.044 0.000 2.264 59 D HA -0.031 4.595 4.640 -0.024 0.000 0.249 59 D C 1.064 177.384 176.300 0.033 0.000 1.070 59 D CA -0.395 53.621 54.000 0.027 0.000 0.912 59 D CB 2.131 42.937 40.800 0.009 0.000 1.193 59 D HN -0.124 nan 8.370 nan 0.000 0.427 60 L N 2.254 123.487 121.223 0.018 0.000 1.994 60 L HA -0.169 4.157 4.340 -0.024 0.000 0.208 60 L C 2.239 179.115 176.870 0.009 0.000 1.071 60 L CA 1.246 56.094 54.840 0.013 0.000 0.745 60 L CB -0.807 41.252 42.059 -0.001 0.000 0.892 60 L HN 0.558 nan 8.230 nan 0.000 0.431 61 L N -0.870 120.347 121.223 -0.010 0.000 2.129 61 L HA -0.216 4.110 4.340 -0.024 0.000 0.212 61 L C 2.391 179.270 176.870 0.016 0.000 1.087 61 L CA 1.670 56.496 54.840 -0.022 0.000 0.757 61 L CB -0.607 41.421 42.059 -0.052 0.000 0.896 61 L HN 0.198 nan 8.230 nan 0.000 0.434 62 V N -0.834 119.108 119.914 0.047 0.000 2.591 62 V HA -0.153 3.952 4.120 -0.024 0.000 0.249 62 V C 2.586 178.754 176.094 0.123 0.000 1.053 62 V CA 0.941 63.305 62.300 0.106 0.000 1.068 62 V CB -0.453 31.457 31.823 0.145 0.000 0.689 62 V HN 0.406 nan 8.190 nan 0.000 0.462 63 R N 0.004 120.557 120.500 0.088 0.000 2.070 63 R HA -0.127 4.198 4.340 -0.024 0.000 0.233 63 R C 2.288 178.610 176.300 0.036 0.000 1.137 63 R CA 1.629 57.766 56.100 0.061 0.000 0.945 63 R CB -0.424 29.902 30.300 0.044 0.000 0.845 63 R HN 0.327 nan 8.270 nan 0.000 0.430 64 I N 0.974 121.561 120.570 0.027 0.000 2.087 64 I HA -0.300 3.856 4.170 -0.024 0.000 0.240 64 I C 2.384 178.515 176.117 0.024 0.000 1.054 64 I CA 1.389 62.700 61.300 0.019 0.000 1.311 64 I CB -1.209 36.795 38.000 0.008 0.000 1.024 64 I HN 0.187 nan 8.210 nan 0.000 0.402 65 L N 0.107 121.351 121.223 0.034 0.000 2.131 65 L HA -0.161 4.165 4.340 -0.024 0.000 0.210 65 L C 2.256 179.149 176.870 0.039 0.000 1.092 65 L CA 1.397 56.262 54.840 0.041 0.000 0.759 65 L CB -0.739 41.354 42.059 0.056 0.000 0.903 65 L HN 0.178 nan 8.230 nan 0.000 0.435 66 L N -1.020 120.225 121.223 0.036 0.000 2.023 66 L HA -0.129 4.196 4.340 -0.024 0.000 0.205 66 L C 2.379 179.238 176.870 -0.019 0.000 1.073 66 L CA 1.897 56.734 54.840 -0.004 0.000 0.745 66 L CB -1.049 40.990 42.059 -0.033 0.000 0.900 66 L HN 0.349 nan 8.230 nan 0.000 0.435 67 L N 0.424 121.639 121.223 -0.012 0.000 2.010 67 L HA -0.252 4.074 4.340 -0.024 0.000 0.219 67 L C 2.459 179.321 176.870 -0.014 0.000 1.077 67 L CA 2.659 57.488 54.840 -0.019 0.000 0.773 67 L CB -1.250 40.805 42.059 -0.007 0.000 0.892 67 L HN 0.288 nan 8.230 nan 0.000 0.436 68 A N -0.286 122.537 122.820 0.005 0.000 1.883 68 A HA -0.125 4.181 4.320 -0.024 0.000 0.217 68 A C 2.485 180.083 177.584 0.023 0.000 1.186 68 A CA 2.209 54.255 52.037 0.016 0.000 0.624 68 A CB -1.414 17.602 19.000 0.026 0.000 0.822 68 A HN 0.717 nan 8.150 nan 0.000 0.444 69 A N -1.295 121.542 122.820 0.028 0.000 2.070 69 A HA -0.123 4.183 4.320 -0.024 0.000 0.220 69 A C 2.215 179.839 177.584 0.066 0.000 1.159 69 A CA 1.683 53.751 52.037 0.050 0.000 0.656 69 A CB -1.054 17.973 19.000 0.045 0.000 0.800 69 A HN 0.634 nan 8.150 nan 0.000 0.453 70 C N -0.751 118.565 119.300 0.027 0.000 2.543 70 C HA 0.047 4.492 4.460 -0.024 0.000 0.281 70 C C 2.491 177.530 174.990 0.081 0.000 1.276 70 C CA 0.627 59.668 59.018 0.040 0.000 1.700 70 C CB -1.311 26.415 27.740 -0.024 0.000 2.093 70 C HN 0.655 nan 8.230 nan 0.000 0.488 71 I N 1.662 122.233 120.570 0.001 0.000 2.145 71 I HA -0.275 3.881 4.170 -0.024 0.000 0.244 71 I C 2.727 178.863 176.117 0.030 0.000 1.075 71 I CA 2.104 63.379 61.300 -0.041 0.000 1.332 71 I CB -0.911 37.025 38.000 -0.107 0.000 1.033 71 I HN 0.373 nan 8.210 nan 0.000 0.410 72 S N 0.788 116.513 115.700 0.042 0.000 2.374 72 S HA -0.261 4.195 4.470 -0.024 0.000 0.227 72 S C 2.066 176.665 174.600 -0.003 0.000 1.037 72 S CA 1.645 59.858 58.200 0.021 0.000 1.024 72 S CB -0.534 62.681 63.200 0.026 0.000 0.861 72 S HN 0.466 nan 8.310 nan 0.000 0.456 73 F N 1.659 121.563 119.950 -0.076 0.000 2.084 73 F HA 0.011 4.522 4.527 -0.026 0.000 0.296 73 F C 2.252 178.035 175.800 -0.027 0.000 1.111 73 F CA 1.520 59.472 58.000 -0.080 0.000 1.224 73 F CB -0.667 38.329 39.000 -0.006 0.000 0.991 73 F HN 0.053 nan 8.300 nan 0.000 0.471 74 V N 0.439 120.495 119.914 0.237 0.000 2.380 74 V HA -0.326 3.780 4.120 -0.024 0.000 0.251 74 V C 2.278 178.498 176.094 0.211 0.000 1.063 74 V CA 1.603 64.067 62.300 0.274 0.000 1.055 74 V CB -0.654 31.334 31.823 0.275 0.000 0.657 74 V HN 0.282 nan 8.190 nan 0.000 0.455 75 L N 0.027 121.280 121.223 0.050 0.000 1.993 75 L HA -0.018 4.308 4.340 -0.024 0.000 0.206 75 L C 2.673 179.433 176.870 -0.182 0.000 1.074 75 L CA 2.352 57.197 54.840 0.008 0.000 0.746 75 L CB -1.704 40.354 42.059 -0.001 0.000 0.896 75 L HN 0.270 nan 8.230 nan 0.000 0.435 76 A N -1.042 121.513 122.820 -0.441 0.000 1.958 76 A HA -0.303 4.002 4.320 -0.024 0.000 0.221 76 A C 2.281 179.261 177.584 -1.006 0.000 1.178 76 A CA 1.968 53.500 52.037 -0.842 0.000 0.642 76 A CB -1.274 16.933 19.000 -1.323 0.000 0.816 76 A HN 0.704 nan 8.150 nan 0.000 0.453 77 W N -0.501 120.148 121.300 -1.085 0.000 2.379 77 W HA -0.077 4.568 4.660 -0.025 0.000 0.307 77 W C 0.221 176.376 176.519 -0.607 0.000 1.200 77 W CA 1.004 57.920 57.345 -0.715 0.000 1.297 77 W CB -0.134 28.838 29.460 -0.812 0.000 1.140 77 W HN 0.321 nan 8.180 nan 0.000 0.507 78 F N 1.951 121.811 119.950 -0.150 0.000 2.898 78 F HA 0.121 4.635 4.527 -0.022 0.000 0.290 78 F C 0.209 175.915 175.800 -0.156 0.000 1.195 78 F CA -0.295 57.602 58.000 -0.173 0.000 1.387 78 F CB -0.634 38.356 39.000 -0.018 0.000 0.976 78 F HN -0.252 nan 8.300 nan 0.000 0.510 79 E N 1.346 121.463 120.200 -0.140 0.000 2.259 79 E HA 0.115 4.450 4.350 -0.024 0.000 0.281 79 E C -0.007 176.533 176.600 -0.100 0.000 1.027 79 E CA -0.460 55.866 56.400 -0.123 0.000 0.838 79 E CB 0.662 30.233 29.700 -0.216 0.000 1.066 79 E HN 0.176 nan 8.360 nan 0.000 0.401 80 E N 2.315 122.483 120.200 -0.053 0.000 2.485 80 E HA 0.077 4.413 4.350 -0.024 0.000 0.266 80 E C 0.374 176.938 176.600 -0.059 0.000 1.090 80 E CA 1.021 57.396 56.400 -0.043 0.000 0.987 80 E CB 0.412 30.099 29.700 -0.022 0.000 0.974 80 E HN 0.641 nan 8.360 nan 0.000 0.455 81 G N 2.915 111.684 108.800 -0.052 0.000 3.180 81 G HA2 -0.056 3.889 3.960 -0.024 0.000 0.246 81 G HA3 -0.056 3.889 3.960 -0.024 0.000 0.246 81 G C 0.154 175.031 174.900 -0.039 0.000 0.939 81 G CA 0.206 45.275 45.100 -0.051 0.000 1.920 81 G HN 0.547 nan 8.290 nan 0.000 0.612 82 E N -0.069 120.106 120.200 -0.041 0.000 2.098 82 E HA 0.136 4.471 4.350 -0.024 0.000 0.196 82 E C 0.222 176.803 176.600 -0.032 0.000 0.955 82 E CA 0.184 56.565 56.400 -0.032 0.000 0.936 82 E CB 0.460 30.143 29.700 -0.029 0.000 1.054 82 E HN 0.237 nan 8.360 nan 0.000 0.482 83 E N 0.453 120.629 120.200 -0.040 0.000 4.139 83 E HA 0.059 4.394 4.350 -0.024 0.000 0.227 83 E C -0.400 176.177 176.600 -0.038 0.000 1.187 83 E CA -0.009 56.371 56.400 -0.034 0.000 1.324 83 E CB 0.834 30.514 29.700 -0.034 0.000 1.207 83 E HN 0.250 nan 8.360 nan 0.000 0.422 84 T N -1.997 112.535 114.554 -0.036 0.000 3.155 84 T HA -0.060 4.276 4.350 -0.024 0.000 0.264 84 T C 1.730 176.470 174.700 0.066 0.000 1.160 84 T CA 0.394 62.488 62.100 -0.011 0.000 1.075 84 T CB -0.255 68.603 68.868 -0.017 0.000 0.921 84 T HN 0.456 nan 8.240 nan 0.000 0.533 85 I N 2.161 122.748 120.570 0.029 0.000 2.179 85 I HA -0.116 4.040 4.170 -0.024 0.000 0.242 85 I C 1.706 177.855 176.117 0.053 0.000 1.088 85 I CA 1.711 63.034 61.300 0.039 0.000 1.357 85 I CB -0.021 37.987 38.000 0.013 0.000 1.051 85 I HN 0.495 nan 8.210 nan 0.000 0.409 86 T N -2.470 112.095 114.554 0.017 0.000 3.415 86 T HA 0.568 4.904 4.350 -0.024 0.000 0.282 86 T C 0.770 175.445 174.700 -0.043 0.000 1.007 86 T CA 0.003 62.102 62.100 -0.002 0.000 0.958 86 T CB 0.689 69.535 68.868 -0.038 0.000 1.171 86 T HN 0.265 nan 8.240 nan 0.000 0.500 87 A N 0.456 123.245 122.820 -0.052 0.000 1.984 87 A HA 0.419 4.725 4.320 -0.024 0.000 0.214 87 A C 1.309 178.729 177.584 -0.273 0.000 1.173 87 A CA 0.181 52.109 52.037 -0.181 0.000 0.673 87 A CB -0.624 18.218 19.000 -0.263 0.000 0.830 87 A HN 0.536 nan 8.150 nan 0.000 0.453 88 F N -0.016 119.821 119.950 -0.189 0.000 2.802 88 F HA -0.004 4.509 4.527 -0.024 0.000 0.300 88 F C 1.937 177.575 175.800 -0.271 0.000 1.168 88 F CA 0.338 58.141 58.000 -0.329 0.000 1.433 88 F CB 0.081 38.834 39.000 -0.412 0.000 1.115 88 F HN 0.024 nan 8.300 nan 0.000 0.582 89 V N -0.138 119.779 119.914 0.005 0.000 2.295 89 V HA -0.313 3.793 4.120 -0.024 0.000 0.246 89 V C 2.388 178.492 176.094 0.016 0.000 1.049 89 V CA 2.209 64.528 62.300 0.030 0.000 1.024 89 V CB -0.705 31.087 31.823 -0.051 0.000 0.648 89 V HN 0.400 nan 8.190 nan 0.000 0.447 90 E N 0.874 121.045 120.200 -0.048 0.000 2.058 90 E HA -0.221 4.115 4.350 -0.024 0.000 0.194 90 E C -0.191 176.421 176.600 0.020 0.000 0.997 90 E CA 1.888 58.273 56.400 -0.025 0.000 0.801 90 E CB -0.819 28.846 29.700 -0.058 0.000 0.746 90 E HN 0.495 nan 8.360 nan 0.000 0.450 91 P HA -0.086 nan 4.420 nan 0.000 0.216 91 P C 0.749 178.177 177.300 0.213 0.000 1.153 91 P CA 1.034 64.180 63.100 0.075 0.000 0.844 91 P CB -0.100 31.644 31.700 0.074 0.000 0.787 92 F N -1.377 118.681 119.950 0.180 0.000 2.748 92 F HA -0.018 4.503 4.527 -0.010 0.000 0.299 92 F C 2.075 177.925 175.800 0.083 0.000 1.154 92 F CA 0.088 58.166 58.000 0.129 0.000 1.446 92 F CB -1.347 37.732 39.000 0.132 0.000 1.112 92 F HN -0.224 nan 8.300 nan 0.000 0.584 93 V N -0.350 119.709 119.914 0.242 0.000 2.492 93 V HA -0.158 3.947 4.120 -0.024 0.000 0.241 93 V C 2.378 178.556 176.094 0.140 0.000 1.041 93 V CA 0.911 63.310 62.300 0.164 0.000 1.057 93 V CB -0.304 31.595 31.823 0.126 0.000 0.711 93 V HN 0.123 nan 8.190 nan 0.000 0.468 94 I N 0.107 120.753 120.570 0.128 0.000 2.118 94 I HA -0.306 3.849 4.170 -0.024 0.000 0.241 94 I C 2.504 178.689 176.117 0.113 0.000 1.070 94 I CA 1.753 63.117 61.300 0.107 0.000 1.327 94 I CB -0.501 37.553 38.000 0.090 0.000 1.034 94 I HN 0.334 nan 8.210 nan 0.000 0.405 95 L N 0.585 121.891 121.223 0.139 0.000 2.012 95 L HA -0.217 4.109 4.340 -0.024 0.000 0.210 95 L C 2.220 179.151 176.870 0.102 0.000 1.073 95 L CA 1.859 56.769 54.840 0.117 0.000 0.748 95 L CB -0.729 41.425 42.059 0.160 0.000 0.891 95 L HN 0.114 nan 8.230 nan 0.000 0.431 96 L N -0.669 120.620 121.223 0.110 0.000 2.191 96 L HA -0.154 4.171 4.340 -0.024 0.000 0.212 96 L C 2.300 179.217 176.870 0.077 0.000 1.103 96 L CA 1.315 56.201 54.840 0.077 0.000 0.769 96 L CB -0.774 41.331 42.059 0.077 0.000 0.908 96 L HN 0.259 nan 8.230 nan 0.000 0.438 97 I N -1.695 118.929 120.570 0.089 0.000 2.277 97 I HA -0.183 3.973 4.170 -0.024 0.000 0.243 97 I C 2.320 178.495 176.117 0.095 0.000 1.094 97 I CA 0.660 62.008 61.300 0.080 0.000 1.393 97 I CB -1.295 36.752 38.000 0.078 0.000 1.078 97 I HN 0.118 nan 8.210 nan 0.000 0.417 98 L N 0.716 122.016 121.223 0.128 0.000 2.021 98 L HA -0.236 4.090 4.340 -0.024 0.000 0.215 98 L C 2.518 179.530 176.870 0.237 0.000 1.074 98 L CA 1.868 56.835 54.840 0.212 0.000 0.760 98 L CB -1.056 41.143 42.059 0.234 0.000 0.889 98 L HN 0.179 nan 8.230 nan 0.000 0.433 99 I N -1.226 119.448 120.570 0.172 0.000 2.110 99 I HA -0.302 3.853 4.170 -0.024 0.000 0.236 99 I C 2.605 178.765 176.117 0.070 0.000 1.068 99 I CA 1.270 62.654 61.300 0.139 0.000 1.333 99 I CB -0.704 37.341 38.000 0.074 0.000 1.054 99 I HN 0.214 nan 8.210 nan 0.000 0.402 100 A N 1.096 123.944 122.820 0.046 0.000 1.917 100 A HA -0.265 4.041 4.320 -0.024 0.000 0.219 100 A C 2.058 179.652 177.584 0.018 0.000 1.182 100 A CA 2.359 54.408 52.037 0.019 0.000 0.633 100 A CB -0.853 18.156 19.000 0.016 0.000 0.819 100 A HN 0.468 nan 8.150 nan 0.000 0.448 101 N N 0.074 118.792 118.700 0.029 0.000 2.188 101 N HA -0.047 4.679 4.740 -0.024 0.000 0.184 101 N C 1.850 177.345 175.510 -0.025 0.000 1.018 101 N CA 1.442 54.502 53.050 0.016 0.000 0.858 101 N CB -0.569 37.933 38.487 0.025 0.000 0.989 101 N HN 0.491 nan 8.380 nan 0.000 0.426 102 A N 1.679 124.465 122.820 -0.058 0.000 1.877 102 A HA -0.088 4.218 4.320 -0.024 0.000 0.216 102 A C 2.235 179.760 177.584 -0.099 0.000 1.186 102 A CA 1.248 53.173 52.037 -0.187 0.000 0.620 102 A CB -0.691 18.138 19.000 -0.286 0.000 0.822 102 A HN 0.430 nan 8.150 nan 0.000 0.443 103 I N -2.494 118.056 120.570 -0.033 0.000 2.233 103 I HA -0.106 4.049 4.170 -0.024 0.000 0.243 103 I C 1.934 178.087 176.117 0.061 0.000 1.093 103 I CA 1.591 62.890 61.300 -0.002 0.000 1.380 103 I CB -0.842 37.149 38.000 -0.015 0.000 1.067 103 I HN 0.033 nan 8.210 nan 0.000 0.413 104 V N 2.586 122.538 119.914 0.062 0.000 2.527 104 V HA -0.251 3.855 4.120 -0.024 0.000 0.255 104 V C 2.787 178.981 176.094 0.168 0.000 1.081 104 V CA 2.267 64.657 62.300 0.151 0.000 1.092 104 V CB -1.507 30.377 31.823 0.102 0.000 0.673 104 V HN 0.735 nan 8.190 nan 0.000 0.470 105 G N -0.978 107.859 108.800 0.063 0.000 2.403 105 G HA2 -0.138 3.807 3.960 -0.024 0.000 0.216 105 G HA3 -0.138 3.807 3.960 -0.024 0.000 0.216 105 G C 1.592 176.503 174.900 0.018 0.000 1.154 105 G CA 1.060 46.171 45.100 0.018 0.000 0.784 105 G HN 0.413 nan 8.290 nan 0.000 0.538 106 V N -0.384 119.548 119.914 0.031 0.000 2.346 106 V HA -0.057 4.049 4.120 -0.024 0.000 0.244 106 V C 2.228 178.371 176.094 0.081 0.000 1.037 106 V CA 1.487 63.806 62.300 0.032 0.000 1.029 106 V CB -0.668 31.168 31.823 0.022 0.000 0.663 106 V HN 0.603 nan 8.190 nan 0.000 0.454 107 W N 2.218 123.495 121.300 -0.038 0.000 2.302 107 W HA -0.308 4.350 4.660 -0.002 0.000 0.320 107 W C 2.278 178.785 176.519 -0.020 0.000 1.241 107 W CA 2.314 59.643 57.345 -0.028 0.000 1.264 107 W CB -0.382 29.062 29.460 -0.027 0.000 1.154 107 W HN 0.462 nan 8.180 nan 0.000 0.483 108 Q N -0.115 119.555 119.800 -0.217 0.000 2.259 108 Q HA 0.001 4.327 4.340 -0.024 0.000 0.228 108 Q C 0.959 176.802 176.000 -0.262 0.000 0.909 108 Q CA 1.029 56.546 55.803 -0.477 0.000 0.948 108 Q CB 0.016 28.596 28.738 -0.264 0.000 1.041 108 Q HN 0.469 nan 8.270 nan 0.000 0.445 109 E N 0.659 120.737 120.200 -0.202 0.000 2.614 109 E HA 0.042 4.378 4.350 -0.024 0.000 0.192 109 E C -0.768 175.775 176.600 -0.096 0.000 0.930 109 E CA -0.100 56.228 56.400 -0.120 0.000 1.346 109 E CB 0.690 30.349 29.700 -0.069 0.000 1.252 109 E HN 0.389 nan 8.360 nan 0.000 0.647 110 R N 1.629 122.065 120.500 -0.106 0.000 2.393 110 R HA 0.347 4.672 4.340 -0.024 0.000 0.310 110 R C -0.948 175.306 176.300 -0.077 0.000 0.968 110 R CA -0.398 55.664 56.100 -0.062 0.000 0.867 110 R CB 0.806 31.095 30.300 -0.018 0.000 1.124 110 R HN -0.138 nan 8.270 nan 0.000 0.450 111 N N 2.898 121.567 118.700 -0.051 0.000 2.419 111 N HA 0.249 4.975 4.740 -0.024 0.000 0.277 111 N C 0.240 175.740 175.510 -0.018 0.000 1.006 111 N CA -0.073 52.951 53.050 -0.044 0.000 0.923 111 N CB 1.934 40.396 38.487 -0.042 0.000 1.140 111 N HN 0.658 nan 8.380 nan 0.000 0.488 112 A N 3.771 126.585 122.820 -0.010 0.000 1.854 112 A HA -0.035 4.270 4.320 -0.024 0.000 0.214 112 A C 0.235 177.822 177.584 0.006 0.000 1.192 112 A CA 0.813 52.854 52.037 0.007 0.000 0.611 112 A CB -0.709 18.301 19.000 0.018 0.000 0.832 112 A HN 0.808 nan 8.150 nan 0.000 0.442 113 E N 1.490 121.691 120.200 0.002 0.000 2.217 113 E HA 0.157 4.493 4.350 -0.024 0.000 0.279 113 E C -0.713 175.888 176.600 0.002 0.000 1.068 113 E CA -0.522 55.880 56.400 0.003 0.000 0.882 113 E CB 0.222 29.924 29.700 0.002 0.000 1.039 113 E HN 0.455 nan 8.360 nan 0.000 0.418 114 N N 2.361 121.064 118.700 0.006 0.000 2.472 114 N HA 0.119 4.845 4.740 -0.024 0.000 0.277 114 N C 0.480 175.997 175.510 0.011 0.000 1.081 114 N CA -0.045 53.009 53.050 0.007 0.000 0.973 114 N CB 1.216 39.708 38.487 0.009 0.000 1.105 114 N HN 0.600 nan 8.380 nan 0.000 0.470 115 A N 5.168 127.994 122.820 0.010 0.000 1.968 115 A HA -0.043 4.263 4.320 -0.024 0.000 0.217 115 A C 2.030 179.630 177.584 0.027 0.000 1.169 115 A CA 0.683 52.731 52.037 0.018 0.000 0.638 115 A CB -0.269 18.738 19.000 0.011 0.000 0.812 115 A HN 0.807 nan 8.150 nan 0.000 0.446 116 I N -0.277 120.306 120.570 0.020 0.000 2.454 116 I HA -0.240 3.916 4.170 -0.024 0.000 0.254 116 I C 2.285 178.421 176.117 0.032 0.000 1.156 116 I CA 1.508 62.822 61.300 0.025 0.000 1.433 116 I CB -0.656 37.355 38.000 0.017 0.000 1.082 116 I HN 0.499 nan 8.210 nan 0.000 0.432 117 E N 1.000 121.215 120.200 0.025 0.000 2.076 117 E HA -0.099 4.237 4.350 -0.024 0.000 0.190 117 E C 2.368 178.984 176.600 0.026 0.000 0.979 117 E CA 1.019 57.432 56.400 0.021 0.000 0.807 117 E CB -0.072 29.635 29.700 0.012 0.000 0.761 117 E HN 0.438 nan 8.360 nan 0.000 0.454 118 A N 1.097 123.937 122.820 0.033 0.000 2.024 118 A HA -0.174 4.132 4.320 -0.024 0.000 0.220 118 A C 2.102 179.744 177.584 0.096 0.000 1.164 118 A CA 0.963 53.025 52.037 0.043 0.000 0.643 118 A CB -0.376 18.656 19.000 0.053 0.000 0.806 118 A HN 0.225 nan 8.150 nan 0.000 0.451 119 L N -0.495 120.799 121.223 0.119 0.000 2.240 119 L HA -0.004 4.322 4.340 -0.024 0.000 0.211 119 L C 2.013 179.007 176.870 0.207 0.000 1.106 119 L CA 1.727 56.691 54.840 0.207 0.000 0.793 119 L CB -0.300 41.828 42.059 0.114 0.000 0.927 119 L HN 0.291 nan 8.230 nan 0.000 0.446 120 K N -0.580 119.878 120.400 0.095 0.000 2.283 120 K HA -0.150 4.155 4.320 -0.024 0.000 0.202 120 K C 1.699 178.305 176.600 0.010 0.000 1.048 120 K CA 0.841 57.164 56.287 0.060 0.000 0.948 120 K CB -0.036 32.483 32.500 0.031 0.000 0.742 120 K HN 0.209 nan 8.250 nan 0.000 0.458 121 E N 0.191 120.353 120.200 -0.063 0.000 2.284 121 E HA -0.185 4.150 4.350 -0.024 0.000 0.200 121 E C 0.584 176.992 176.600 -0.320 0.000 1.008 121 E CA 1.305 57.568 56.400 -0.228 0.000 0.829 121 E CB -0.155 29.318 29.700 -0.379 0.000 0.744 121 E HN 0.431 nan 8.360 nan 0.000 0.491 122 Y N -0.029 120.275 120.300 0.008 0.000 2.485 122 Y HA 0.232 4.768 4.550 -0.024 0.000 0.260 122 Y C -0.136 175.773 175.900 0.015 0.000 1.173 122 Y CA -0.131 57.977 58.100 0.012 0.000 1.252 122 Y CB 0.388 38.856 38.460 0.013 0.000 1.123 122 Y HN -0.118 nan 8.280 nan 0.000 0.524 123 E N 2.727 122.992 120.200 0.107 0.000 2.055 123 E HA 0.221 4.556 4.350 -0.024 0.000 0.274 123 E C -2.501 174.121 176.600 0.036 0.000 0.949 123 E CA -2.266 54.177 56.400 0.072 0.000 0.775 123 E CB 0.591 30.326 29.700 0.059 0.000 1.097 123 E HN 0.040 nan 8.360 nan 0.000 0.404 124 P HA -0.060 nan 4.420 nan 0.000 0.268 124 P C 0.535 177.842 177.300 0.011 0.000 1.205 124 P CA 0.056 63.166 63.100 0.017 0.000 0.771 124 P CB 1.032 32.743 31.700 0.019 0.000 0.858 125 E N 1.573 121.774 120.200 0.001 0.000 2.038 125 E HA -0.121 4.214 4.350 -0.024 0.000 0.195 125 E C 0.205 176.806 176.600 0.002 0.000 1.000 125 E CA 1.107 57.507 56.400 -0.000 0.000 0.803 125 E CB 0.059 29.755 29.700 -0.007 0.000 0.750 125 E HN 0.332 nan 8.360 nan 0.000 0.448 126 M N -0.432 119.167 119.600 -0.002 0.000 2.664 126 M HA 0.511 4.977 4.480 -0.024 0.000 0.314 126 M C 0.314 176.609 176.300 -0.007 0.000 1.200 126 M CA -0.564 54.733 55.300 -0.006 0.000 0.916 126 M CB 1.457 34.050 32.600 -0.012 0.000 1.717 126 M HN 0.085 nan 8.290 nan 0.000 0.470 127 G N 0.950 109.741 108.800 -0.014 0.000 3.022 127 G HA2 0.763 4.709 3.960 -0.024 0.000 0.284 127 G HA3 0.763 4.709 3.960 -0.024 0.000 0.284 127 G C -1.502 173.372 174.900 -0.043 0.000 1.375 127 G CA -0.720 44.367 45.100 -0.021 0.000 0.902 127 G HN 0.542 nan 8.290 nan 0.000 0.538 128 K N -0.058 120.307 120.400 -0.058 0.000 2.471 128 K HA 0.587 4.893 4.320 -0.024 0.000 0.252 128 K C -0.827 175.698 176.600 -0.124 0.000 0.938 128 K CA -0.704 55.519 56.287 -0.107 0.000 0.796 128 K CB 2.489 34.921 32.500 -0.114 0.000 1.161 128 K HN 0.577 nan 8.250 nan 0.000 0.425 129 V N -0.421 119.393 119.914 -0.167 0.000 2.914 129 V HA 0.551 4.657 4.120 -0.024 0.000 0.314 129 V C -1.259 174.674 176.094 -0.269 0.000 1.084 129 V CA -0.999 61.219 62.300 -0.137 0.000 0.963 129 V CB 1.155 32.939 31.823 -0.065 0.000 1.025 129 V HN 0.597 nan 8.190 nan 0.000 0.432 130 Y N 2.161 122.450 120.300 -0.018 0.000 2.341 130 Y HA 0.743 5.279 4.550 -0.024 0.000 0.340 130 Y C 0.753 176.640 175.900 -0.022 0.000 0.997 130 Y CA -0.159 57.932 58.100 -0.016 0.000 1.149 130 Y CB 1.445 39.898 38.460 -0.012 0.000 1.171 130 Y HN 0.616 nan 8.280 nan 0.000 0.494 131 R N 0.776 121.334 120.500 0.097 0.000 2.919 131 R HA 0.667 4.992 4.340 -0.024 0.000 0.260 131 R C 0.598 176.931 176.300 0.055 0.000 1.067 131 R CA -0.505 55.624 56.100 0.049 0.000 1.003 131 R CB 1.371 31.673 30.300 0.004 0.000 1.192 131 R HN 0.733 nan 8.270 nan 0.000 0.488 132 A N 0.731 123.567 122.820 0.027 0.000 2.014 132 A HA -0.150 4.155 4.320 -0.024 0.000 0.218 132 A C 1.293 178.890 177.584 0.022 0.000 1.163 132 A CA 1.699 53.750 52.037 0.024 0.000 0.652 132 A CB -0.418 18.587 19.000 0.009 0.000 0.808 132 A HN 0.846 nan 8.150 nan 0.000 0.449 133 D N -0.564 119.845 120.400 0.015 0.000 2.310 133 D HA -0.081 4.544 4.640 -0.024 0.000 0.212 133 D C 0.738 177.049 176.300 0.018 0.000 0.965 133 D CA 0.722 54.729 54.000 0.012 0.000 0.879 133 D CB -0.098 40.705 40.800 0.004 0.000 0.921 133 D HN 0.441 nan 8.370 nan 0.000 0.510 134 R N -1.121 119.397 120.500 0.030 0.000 2.651 134 R HA 0.269 4.594 4.340 -0.024 0.000 0.278 134 R C 0.148 176.492 176.300 0.073 0.000 1.010 134 R CA -0.803 55.319 56.100 0.037 0.000 0.896 134 R CB 1.703 32.016 30.300 0.022 0.000 1.211 134 R HN -0.249 nan 8.270 nan 0.000 0.456 135 K N 0.804 121.249 120.400 0.075 0.000 2.305 135 K HA 0.068 4.373 4.320 -0.024 0.000 0.199 135 K C 0.217 176.934 176.600 0.195 0.000 1.047 135 K CA 0.717 57.069 56.287 0.108 0.000 0.976 135 K CB 0.195 32.730 32.500 0.060 0.000 0.765 135 K HN 0.603 nan 8.250 nan 0.000 0.474 136 S N -0.298 115.485 115.700 0.138 0.000 2.617 136 S HA 0.220 4.676 4.470 -0.024 0.000 0.269 136 S C 0.193 174.806 174.600 0.021 0.000 1.292 136 S CA -0.981 57.301 58.200 0.137 0.000 1.010 136 S CB 1.513 64.746 63.200 0.055 0.000 0.944 136 S HN -0.021 nan 8.310 nan 0.000 0.536 137 V N 1.923 121.738 119.914 -0.165 0.000 2.763 137 V HA 0.105 4.211 4.120 -0.024 0.000 0.306 137 V C -0.156 175.750 176.094 -0.313 0.000 1.059 137 V CA 0.341 62.244 62.300 -0.663 0.000 1.138 137 V CB 0.507 31.948 31.823 -0.637 0.000 0.940 137 V HN 0.940 nan 8.190 nan 0.000 0.489 138 Q N 5.731 125.351 119.800 -0.301 0.000 2.307 138 Q HA 0.454 4.779 4.340 -0.024 0.000 0.262 138 Q C -0.510 175.408 176.000 -0.136 0.000 0.961 138 Q CA -0.502 55.208 55.803 -0.156 0.000 0.882 138 Q CB 1.863 30.538 28.738 -0.105 0.000 1.264 138 Q HN 0.672 nan 8.270 nan 0.000 0.446 139 R N 3.733 124.178 120.500 -0.092 0.000 2.205 139 R HA 0.379 4.705 4.340 -0.024 0.000 0.342 139 R C -0.423 175.849 176.300 -0.046 0.000 1.058 139 R CA 0.017 56.077 56.100 -0.068 0.000 0.904 139 R CB 0.113 30.381 30.300 -0.053 0.000 1.089 139 R HN 0.663 nan 8.270 nan 0.000 0.471 140 I N -0.839 119.707 120.570 -0.040 0.000 3.294 140 I HA 0.533 4.688 4.170 -0.024 0.000 0.311 140 I C -0.701 175.409 176.117 -0.011 0.000 1.111 140 I CA -1.407 59.879 61.300 -0.023 0.000 0.976 140 I CB 1.654 39.642 38.000 -0.020 0.000 1.260 140 I HN 0.177 nan 8.210 nan 0.000 0.474 141 K N 1.815 122.216 120.400 0.002 0.000 2.368 141 K HA 0.244 4.549 4.320 -0.024 0.000 0.282 141 K C 0.788 177.400 176.600 0.019 0.000 1.035 141 K CA 0.362 56.655 56.287 0.010 0.000 0.973 141 K CB 1.549 34.060 32.500 0.018 0.000 0.957 141 K HN 0.825 nan 8.250 nan 0.000 0.474 142 A N 4.226 127.056 122.820 0.017 0.000 1.972 142 A HA -0.205 4.101 4.320 -0.024 0.000 0.219 142 A C 1.923 179.533 177.584 0.043 0.000 1.169 142 A CA 1.472 53.522 52.037 0.022 0.000 0.635 142 A CB -0.318 18.695 19.000 0.021 0.000 0.810 142 A HN 0.828 nan 8.150 nan 0.000 0.446 143 R N -0.818 119.716 120.500 0.057 0.000 2.285 143 R HA -0.055 4.270 4.340 -0.024 0.000 0.213 143 R C 0.143 176.543 176.300 0.167 0.000 1.068 143 R CA 1.495 57.655 56.100 0.099 0.000 1.004 143 R CB -0.371 29.972 30.300 0.072 0.000 0.873 143 R HN 0.224 nan 8.270 nan 0.000 0.467 144 D N 0.825 121.296 120.400 0.119 0.000 2.339 144 D HA 0.172 4.798 4.640 -0.024 0.000 0.217 144 D C 0.552 176.878 176.300 0.043 0.000 1.050 144 D CA 0.131 54.199 54.000 0.113 0.000 0.856 144 D CB 0.197 41.049 40.800 0.086 0.000 0.922 144 D HN 0.244 nan 8.370 nan 0.000 0.518 145 I N 1.284 121.871 120.570 0.029 0.000 2.696 145 I HA 0.034 4.190 4.170 -0.024 0.000 0.284 145 I C 0.497 176.609 176.117 -0.009 0.000 1.129 145 I CA -0.333 60.965 61.300 -0.003 0.000 1.410 145 I CB 1.007 39.000 38.000 -0.011 0.000 1.399 145 I HN -0.238 nan 8.210 nan 0.000 0.579 146 V N 3.004 122.899 119.914 -0.032 0.000 3.040 146 V HA 0.574 4.680 4.120 -0.024 0.000 0.312 146 V C -2.761 173.250 176.094 -0.137 0.000 1.115 146 V CA -2.832 59.452 62.300 -0.026 0.000 0.998 146 V CB 1.393 33.261 31.823 0.075 0.000 1.042 146 V HN 0.453 nan 8.190 nan 0.000 0.433 147 P HA 0.338 nan 4.420 nan 0.000 0.262 147 P C 0.971 177.815 177.300 -0.759 0.000 1.182 147 P CA 1.968 64.753 63.100 -0.526 0.000 0.761 147 P CB 0.678 31.926 31.700 -0.754 0.000 0.795 148 G N 2.271 110.403 108.800 -1.113 0.000 2.284 148 G HA2 -0.184 3.762 3.960 -0.024 0.000 0.216 148 G HA3 -0.184 3.762 3.960 -0.024 0.000 0.216 148 G C 0.055 174.752 174.900 -0.339 0.000 1.009 148 G CA -0.402 44.094 45.100 -1.007 0.000 0.625 148 G HN 0.501 nan 8.290 nan 0.000 0.501 149 D N 1.663 121.922 120.400 -0.235 0.000 2.533 149 D HA 0.225 4.851 4.640 -0.024 0.000 0.236 149 D C 0.928 177.188 176.300 -0.066 0.000 1.137 149 D CA 0.234 54.166 54.000 -0.114 0.000 0.867 149 D CB 0.467 41.215 40.800 -0.086 0.000 1.170 149 D HN 0.155 nan 8.370 nan 0.000 0.474 150 I N 3.928 124.497 120.570 -0.003 0.000 2.379 150 I HA 0.039 4.195 4.170 -0.024 0.000 0.290 150 I C 0.626 176.791 176.117 0.080 0.000 1.063 150 I CA -0.344 60.988 61.300 0.055 0.000 1.351 150 I CB 0.113 38.175 38.000 0.104 0.000 1.410 150 I HN 0.022 nan 8.210 nan 0.000 0.505 151 V N 3.541 123.489 119.914 0.057 0.000 2.919 151 V HA 0.694 4.800 4.120 -0.024 0.000 0.316 151 V C -0.408 175.731 176.094 0.075 0.000 1.077 151 V CA -0.836 61.489 62.300 0.041 0.000 0.977 151 V CB 2.377 34.200 31.823 -0.000 0.000 1.039 151 V HN 0.791 nan 8.190 nan 0.000 0.441 152 E N 1.650 121.880 120.200 0.051 0.000 2.222 152 E HA 0.714 5.049 4.350 -0.024 0.000 0.267 152 E C -1.237 175.380 176.600 0.028 0.000 0.884 152 E CA -0.808 55.635 56.400 0.072 0.000 0.764 152 E CB 2.285 32.049 29.700 0.106 0.000 1.169 152 E HN 1.076 nan 8.360 nan 0.000 0.413 153 V N 0.349 120.281 119.914 0.031 0.000 2.962 153 V HA 1.027 5.133 4.120 -0.024 0.000 0.313 153 V C -0.749 175.360 176.094 0.026 0.000 1.099 153 V CA -0.519 61.793 62.300 0.019 0.000 0.971 153 V CB 1.266 33.096 31.823 0.012 0.000 1.028 153 V HN 0.802 nan 8.190 nan 0.000 0.430 154 A N 2.134 124.968 122.820 0.022 0.000 2.569 154 A HA 0.834 5.139 4.320 -0.024 0.000 0.290 154 A C -0.292 177.307 177.584 0.023 0.000 1.136 154 A CA -0.387 51.665 52.037 0.026 0.000 0.710 154 A CB 1.679 20.695 19.000 0.027 0.000 1.303 154 A HN 2.175 nan 8.150 nan 0.000 0.413 155 V N 1.170 121.099 119.914 0.026 0.000 2.780 155 V HA 0.299 4.405 4.120 -0.024 0.000 0.301 155 V C 1.472 177.579 176.094 0.021 0.000 1.168 155 V CA 2.862 65.177 62.300 0.025 0.000 1.305 155 V CB 0.240 32.079 31.823 0.027 0.000 0.858 155 V HN 2.744 nan 8.190 nan 0.000 0.502 156 G N 4.302 113.115 108.800 0.021 0.000 2.268 156 G HA2 -0.206 3.740 3.960 -0.024 0.000 0.240 156 G HA3 -0.206 3.740 3.960 -0.024 0.000 0.240 156 G C -0.037 174.875 174.900 0.020 0.000 1.010 156 G CA 0.202 45.313 45.100 0.019 0.000 0.618 156 G HN 0.826 nan 8.290 nan 0.000 0.516 157 D N 1.561 121.973 120.400 0.020 0.000 2.414 157 D HA 0.398 5.023 4.640 -0.024 0.000 0.242 157 D C 0.656 176.975 176.300 0.031 0.000 1.129 157 D CA 0.338 54.350 54.000 0.020 0.000 0.885 157 D CB 0.681 41.491 40.800 0.016 0.000 1.198 157 D HN 0.251 nan 8.370 nan 0.000 0.437 158 K N 1.085 121.505 120.400 0.033 0.000 2.258 158 K HA 0.241 4.547 4.320 -0.024 0.000 0.284 158 K C -0.516 176.110 176.600 0.044 0.000 1.051 158 K CA -0.686 55.632 56.287 0.052 0.000 0.923 158 K CB 1.413 33.949 32.500 0.060 0.000 1.046 158 K HN 0.186 nan 8.250 nan 0.000 0.474 159 V N 6.352 126.296 119.914 0.051 0.000 2.540 159 V HA -0.023 4.083 4.120 -0.024 0.000 0.297 159 V C -1.133 174.987 176.094 0.043 0.000 1.024 159 V CA -0.613 61.710 62.300 0.038 0.000 1.105 159 V CB 0.756 32.602 31.823 0.038 0.000 0.938 159 V HN 0.741 nan 8.190 nan 0.000 0.482 160 P HA 0.259 nan 4.420 nan 0.000 0.245 160 P C 0.072 177.387 177.300 0.026 0.000 1.199 160 P CA 0.639 63.755 63.100 0.027 0.000 0.807 160 P CB 0.879 32.586 31.700 0.012 0.000 1.002 161 A N -0.563 122.267 122.820 0.017 0.000 2.588 161 A HA 0.553 4.859 4.320 -0.024 0.000 0.290 161 A C -1.631 175.960 177.584 0.011 0.000 1.136 161 A CA -0.545 51.501 52.037 0.014 0.000 0.681 161 A CB 0.297 19.291 19.000 -0.011 0.000 1.282 161 A HN -0.235 nan 8.150 nan 0.000 0.421 162 D N 0.849 121.261 120.400 0.019 0.000 2.317 162 D HA 0.558 5.183 4.640 -0.024 0.000 0.252 162 D C -0.644 175.618 176.300 -0.062 0.000 1.174 162 D CA 0.812 54.815 54.000 0.005 0.000 0.866 162 D CB 0.595 41.455 40.800 0.099 0.000 1.127 162 D HN 0.391 nan 8.370 nan 0.000 0.467 163 I N 1.739 122.229 120.570 -0.134 0.000 2.545 163 I HA 0.296 4.451 4.170 -0.024 0.000 0.292 163 I C 0.084 176.115 176.117 -0.143 0.000 1.040 163 I CA -1.165 60.067 61.300 -0.112 0.000 1.068 163 I CB 1.985 39.931 38.000 -0.089 0.000 1.251 163 I HN -0.009 nan 8.210 nan 0.000 0.424 164 R N 6.552 127.007 120.500 -0.075 0.000 2.234 164 R HA 0.454 4.780 4.340 -0.024 0.000 0.324 164 R C -0.949 175.327 176.300 -0.040 0.000 1.054 164 R CA -0.115 55.952 56.100 -0.055 0.000 0.912 164 R CB 0.212 30.508 30.300 -0.007 0.000 1.030 164 R HN 0.517 nan 8.270 nan 0.000 0.455 165 I N 6.891 127.430 120.570 -0.052 0.000 2.533 165 I HA -0.031 4.125 4.170 -0.024 0.000 0.284 165 I C 0.925 177.044 176.117 0.003 0.000 1.109 165 I CA 0.060 61.342 61.300 -0.029 0.000 1.412 165 I CB 0.725 38.700 38.000 -0.042 0.000 1.396 165 I HN 0.655 nan 8.210 nan 0.000 0.543 166 L N 4.043 125.273 121.223 0.011 0.000 2.286 166 L HA 0.152 4.478 4.340 -0.024 0.000 0.203 166 L C 0.836 177.717 176.870 0.019 0.000 1.068 166 L CA 0.654 55.506 54.840 0.020 0.000 0.811 166 L CB 0.180 42.251 42.059 0.019 0.000 0.989 166 L HN 0.652 nan 8.230 nan 0.000 0.467 167 S N -0.420 115.289 115.700 0.016 0.000 2.562 167 S HA 0.492 4.948 4.470 -0.024 0.000 0.274 167 S C -1.111 173.501 174.600 0.019 0.000 1.160 167 S CA -0.598 57.611 58.200 0.015 0.000 0.933 167 S CB 1.226 64.428 63.200 0.004 0.000 1.100 167 S HN 0.066 nan 8.310 nan 0.000 0.468 168 I N 5.388 125.973 120.570 0.025 0.000 2.321 168 I HA 0.405 4.560 4.170 -0.024 0.000 0.291 168 I C 0.719 176.852 176.117 0.026 0.000 0.998 168 I CA -0.709 60.609 61.300 0.029 0.000 1.227 168 I CB 1.584 39.608 38.000 0.041 0.000 1.368 168 I HN 0.595 nan 8.210 nan 0.000 0.466 169 K N 3.166 123.582 120.400 0.028 0.000 2.211 169 K HA 0.105 4.410 4.320 -0.024 0.000 0.201 169 K C 0.861 177.478 176.600 0.029 0.000 1.052 169 K CA 0.451 56.752 56.287 0.024 0.000 0.973 169 K CB -0.055 32.461 32.500 0.028 0.000 0.766 169 K HN 0.658 nan 8.250 nan 0.000 0.466 170 S N 0.002 115.725 115.700 0.039 0.000 2.681 170 S HA 0.171 4.627 4.470 -0.024 0.000 0.270 170 S C 1.262 175.893 174.600 0.051 0.000 1.209 170 S CA -0.488 57.741 58.200 0.049 0.000 0.988 170 S CB 1.040 64.275 63.200 0.058 0.000 1.006 170 S HN 0.038 nan 8.310 nan 0.000 0.558 171 T N 1.456 116.048 114.554 0.065 0.000 2.788 171 T HA 0.035 4.371 4.350 -0.024 0.000 0.268 171 T C 0.919 175.677 174.700 0.097 0.000 1.044 171 T CA 1.671 63.809 62.100 0.063 0.000 1.139 171 T CB -0.568 68.352 68.868 0.088 0.000 0.867 171 T HN 0.979 nan 8.240 nan 0.000 0.454 172 T N -0.747 113.879 114.554 0.120 0.000 2.883 172 T HA 0.645 4.981 4.350 -0.024 0.000 0.301 172 T C -1.480 173.272 174.700 0.087 0.000 1.158 172 T CA -1.039 61.139 62.100 0.129 0.000 1.007 172 T CB 1.944 70.929 68.868 0.196 0.000 1.186 172 T HN -0.039 nan 8.240 nan 0.000 0.499 173 L N 1.722 122.988 121.223 0.071 0.000 2.298 173 L HA 0.622 4.948 4.340 -0.024 0.000 0.284 173 L C -0.363 176.526 176.870 0.032 0.000 1.013 173 L CA -0.547 54.320 54.840 0.044 0.000 0.824 173 L CB 0.878 42.954 42.059 0.030 0.000 1.221 173 L HN 0.682 nan 8.230 nan 0.000 0.418 174 R N 4.433 124.947 120.500 0.023 0.000 2.387 174 R HA 0.742 5.068 4.340 -0.024 0.000 0.314 174 R C -1.350 174.956 176.300 0.010 0.000 0.958 174 R CA -0.826 55.277 56.100 0.005 0.000 0.846 174 R CB 2.009 32.303 30.300 -0.009 0.000 1.147 174 R HN 0.410 nan 8.270 nan 0.000 0.447 175 V N 1.919 121.839 119.914 0.010 0.000 2.656 175 V HA 0.150 4.256 4.120 -0.024 0.000 0.307 175 V C -0.603 175.507 176.094 0.027 0.000 1.051 175 V CA -0.856 61.458 62.300 0.023 0.000 0.893 175 V CB 2.178 34.018 31.823 0.028 0.000 0.999 175 V HN 0.662 nan 8.190 nan 0.000 0.426 176 D N 3.419 123.840 120.400 0.034 0.000 2.428 176 D HA 0.250 4.876 4.640 -0.024 0.000 0.221 176 D C 0.314 176.639 176.300 0.041 0.000 1.123 176 D CA -0.193 53.828 54.000 0.034 0.000 0.869 176 D CB 1.219 42.041 40.800 0.037 0.000 1.032 176 D HN 0.579 nan 8.370 nan 0.000 0.506 177 Q N 2.075 121.898 119.800 0.038 0.000 2.211 177 Q HA 0.059 4.385 4.340 -0.024 0.000 0.231 177 Q C 1.349 177.344 176.000 -0.009 0.000 0.865 177 Q CA -0.162 55.662 55.803 0.035 0.000 0.997 177 Q CB 0.362 29.137 28.738 0.062 0.000 1.101 177 Q HN 0.551 nan 8.270 nan 0.000 0.468 178 S N 0.430 116.125 115.700 -0.009 0.000 2.469 178 S HA -0.164 4.292 4.470 -0.024 0.000 0.238 178 S C 1.891 176.447 174.600 -0.073 0.000 0.998 178 S CA 0.928 59.113 58.200 -0.025 0.000 0.957 178 S CB -0.669 62.530 63.200 -0.002 0.000 0.764 178 S HN 0.641 nan 8.310 nan 0.000 0.514 179 I N -1.917 118.579 120.570 -0.122 0.000 3.111 179 I HA 0.170 4.326 4.170 -0.024 0.000 0.272 179 I C 1.752 177.768 176.117 -0.169 0.000 1.268 179 I CA 0.883 62.052 61.300 -0.219 0.000 1.467 179 I CB -0.305 37.449 38.000 -0.411 0.000 1.087 179 I HN 0.209 nan 8.210 nan 0.000 0.467 180 L N 0.581 121.724 121.223 -0.133 0.000 2.575 180 L HA 0.183 4.509 4.340 -0.024 0.000 0.228 180 L C 2.060 178.867 176.870 -0.106 0.000 1.075 180 L CA 0.942 55.693 54.840 -0.148 0.000 0.867 180 L CB -0.040 41.882 42.059 -0.228 0.000 1.097 180 L HN 0.441 nan 8.230 nan 0.000 0.485 181 T N -5.521 108.990 114.554 -0.072 0.000 2.975 181 T HA 0.277 4.613 4.350 -0.024 0.000 0.261 181 T C 1.472 176.155 174.700 -0.028 0.000 0.984 181 T CA 0.632 62.707 62.100 -0.043 0.000 0.911 181 T CB 1.102 69.954 68.868 -0.027 0.000 1.127 181 T HN 0.282 nan 8.240 nan 0.000 0.514 182 G N 1.580 110.360 108.800 -0.033 0.000 2.245 182 G HA2 -0.220 3.726 3.960 -0.024 0.000 0.264 182 G HA3 -0.220 3.726 3.960 -0.024 0.000 0.264 182 G C -0.140 174.756 174.900 -0.006 0.000 0.985 182 G CA 0.292 45.380 45.100 -0.020 0.000 0.625 182 G HN 0.624 nan 8.290 nan 0.000 0.536 183 E N 0.487 120.684 120.200 -0.004 0.000 2.216 183 E HA 0.587 4.923 4.350 -0.024 0.000 0.279 183 E C 0.622 177.231 176.600 0.014 0.000 0.997 183 E CA -0.177 56.228 56.400 0.007 0.000 0.817 183 E CB 1.532 31.236 29.700 0.008 0.000 1.096 183 E HN 0.085 nan 8.360 nan 0.000 0.393 184 S N 0.773 116.488 115.700 0.025 0.000 2.528 184 S HA -0.004 4.451 4.470 -0.024 0.000 0.219 184 S C 1.025 175.640 174.600 0.025 0.000 0.985 184 S CA -0.248 57.971 58.200 0.030 0.000 0.914 184 S CB 0.336 63.564 63.200 0.046 0.000 0.776 184 S HN 0.406 nan 8.310 nan 0.000 0.526 185 V N 3.019 122.946 119.914 0.021 0.000 2.752 185 V HA 0.005 4.111 4.120 -0.024 0.000 0.306 185 V C 0.172 176.266 176.094 0.001 0.000 1.099 185 V CA 0.300 62.606 62.300 0.010 0.000 1.240 185 V CB 0.701 32.530 31.823 0.009 0.000 0.887 185 V HN 0.308 nan 8.190 nan 0.000 0.499 186 S N 5.320 121.010 115.700 -0.017 0.000 2.531 186 S HA 0.266 4.722 4.470 -0.024 0.000 0.279 186 S C -0.241 174.345 174.600 -0.023 0.000 1.305 186 S CA -0.494 57.693 58.200 -0.022 0.000 1.058 186 S CB 1.092 64.264 63.200 -0.048 0.000 0.899 186 S HN 0.664 nan 8.310 nan 0.000 0.493 187 V N 5.366 125.278 119.914 -0.003 0.000 2.498 187 V HA 0.221 4.327 4.120 -0.024 0.000 0.279 187 V C 0.182 176.277 176.094 0.001 0.000 1.048 187 V CA -0.568 61.736 62.300 0.007 0.000 0.967 187 V CB 0.888 32.727 31.823 0.026 0.000 0.988 187 V HN 0.670 nan 8.190 nan 0.000 0.473 188 I N 6.037 126.614 120.570 0.011 0.000 2.281 188 I HA 0.283 4.438 4.170 -0.024 0.000 0.293 188 I C 0.641 176.786 176.117 0.047 0.000 1.085 188 I CA -0.414 60.911 61.300 0.041 0.000 1.257 188 I CB 0.205 38.259 38.000 0.090 0.000 1.430 188 I HN 0.544 nan 8.210 nan 0.000 0.489 189 K N 5.644 126.050 120.400 0.010 0.000 2.180 189 K HA 0.324 4.629 4.320 -0.024 0.000 0.251 189 K C 0.069 176.665 176.600 -0.007 0.000 1.014 189 K CA -0.266 55.980 56.287 -0.068 0.000 0.913 189 K CB 0.946 33.399 32.500 -0.078 0.000 1.008 189 K HN 0.686 nan 8.250 nan 0.000 0.490 190 H N -3.323 115.768 119.070 0.036 0.000 3.199 190 H HA 0.382 4.924 4.556 -0.024 0.000 0.292 190 H C 0.249 175.590 175.328 0.022 0.000 1.600 190 H CA -0.614 55.454 56.048 0.034 0.000 1.235 190 H CB 0.591 30.378 29.762 0.040 0.000 1.839 190 H HN 0.508 nan 8.280 nan 0.000 0.623 191 T N -3.494 111.260 114.554 0.335 0.000 3.043 191 T HA 0.288 4.624 4.350 -0.024 0.000 0.272 191 T C -0.117 174.711 174.700 0.212 0.000 0.990 191 T CA -0.385 61.831 62.100 0.192 0.000 0.897 191 T CB -0.331 68.594 68.868 0.095 0.000 1.111 191 T HN 0.522 nan 8.240 nan 0.000 0.529 192 E N 2.993 123.374 120.200 0.301 0.000 2.390 192 E HA 0.362 4.698 4.350 -0.024 0.000 0.261 192 E C -2.626 174.081 176.600 0.179 0.000 1.076 192 E CA -1.998 54.477 56.400 0.124 0.000 0.905 192 E CB 0.318 29.973 29.700 -0.075 0.000 0.984 192 E HN 0.236 nan 8.360 nan 0.000 0.427 193 P HA -0.021 nan 4.420 nan 0.000 0.269 193 P C -0.935 176.451 177.300 0.142 0.000 1.209 193 P CA -0.025 63.134 63.100 0.098 0.000 0.776 193 P CB 0.505 32.232 31.700 0.045 0.000 0.876 194 V N 5.862 125.883 119.914 0.178 0.000 2.257 194 V HA 0.153 4.259 4.120 -0.024 0.000 0.269 194 V C -1.507 174.709 176.094 0.204 0.000 1.040 194 V CA -1.261 61.171 62.300 0.220 0.000 0.813 194 V CB 1.040 33.039 31.823 0.293 0.000 1.065 194 V HN 0.517 nan 8.190 nan 0.000 0.457 195 P HA -0.105 nan 4.420 nan 0.000 0.218 195 P C 0.543 177.903 177.300 0.098 0.000 1.149 195 P CA 0.804 63.946 63.100 0.071 0.000 0.817 195 P CB 0.135 31.867 31.700 0.053 0.000 0.785 196 D N -0.043 120.445 120.400 0.146 0.000 2.412 196 D HA -0.027 4.598 4.640 -0.024 0.000 0.257 196 D C -1.472 174.978 176.300 0.249 0.000 1.217 196 D CA -1.688 52.403 54.000 0.150 0.000 0.897 196 D CB 0.425 41.301 40.800 0.126 0.000 1.132 196 D HN 0.045 nan 8.370 nan 0.000 0.493 197 P HA -0.084 nan 4.420 nan 0.000 0.218 197 P C 0.762 178.199 177.300 0.229 0.000 1.148 197 P CA 1.035 64.246 63.100 0.186 0.000 0.822 197 P CB 0.217 31.970 31.700 0.088 0.000 0.784 198 R N -0.768 119.826 120.500 0.158 0.000 2.334 198 R HA 0.351 4.676 4.340 -0.024 0.000 0.220 198 R C 0.554 176.905 176.300 0.086 0.000 0.917 198 R CA -0.327 55.843 56.100 0.117 0.000 1.073 198 R CB -0.228 30.130 30.300 0.097 0.000 1.056 198 R HN 0.081 nan 8.270 nan 0.000 0.506 199 A N 0.920 123.783 122.820 0.072 0.000 2.603 199 A HA -0.011 4.295 4.320 -0.024 0.000 0.235 199 A C 0.446 177.992 177.584 -0.062 0.000 1.035 199 A CA 0.278 52.303 52.037 -0.021 0.000 0.755 199 A CB 0.246 19.178 19.000 -0.115 0.000 0.954 199 A HN 0.105 nan 8.150 nan 0.000 0.511 200 V N 2.694 122.603 119.914 -0.008 0.000 3.134 200 V HA 0.101 4.207 4.120 -0.024 0.000 0.313 200 V C 1.395 177.465 176.094 -0.040 0.000 1.069 200 V CA -0.446 61.859 62.300 0.008 0.000 1.048 200 V CB 1.232 33.096 31.823 0.069 0.000 1.119 200 V HN 1.067 nan 8.190 nan 0.000 0.461 201 N N 1.673 120.319 118.700 -0.091 0.000 2.061 201 N HA -0.227 4.498 4.740 -0.024 0.000 0.193 201 N C 1.505 177.017 175.510 0.003 0.000 1.030 201 N CA 1.714 54.672 53.050 -0.155 0.000 0.856 201 N CB -0.304 37.925 38.487 -0.430 0.000 1.023 201 N HN 0.653 nan 8.380 nan 0.000 0.424 202 Q N 0.724 120.521 119.800 -0.006 0.000 2.234 202 Q HA -0.085 4.240 4.340 -0.024 0.000 0.206 202 Q C 1.048 177.077 176.000 0.048 0.000 0.980 202 Q CA 1.099 56.919 55.803 0.029 0.000 0.869 202 Q CB -0.050 28.700 28.738 0.020 0.000 0.912 202 Q HN 0.441 nan 8.270 nan 0.000 0.436 203 D N -0.037 120.387 120.400 0.040 0.000 2.289 203 D HA -0.029 4.597 4.640 -0.024 0.000 0.207 203 D C -0.027 176.304 176.300 0.052 0.000 0.966 203 D CA 0.475 54.505 54.000 0.050 0.000 0.868 203 D CB 0.119 40.943 40.800 0.040 0.000 0.943 203 D HN 0.198 nan 8.370 nan 0.000 0.514 204 K N 1.635 122.070 120.400 0.059 0.000 2.307 204 K HA 0.139 4.444 4.320 -0.024 0.000 0.240 204 K C 0.939 177.551 176.600 0.020 0.000 1.214 204 K CA -0.025 56.298 56.287 0.060 0.000 1.149 204 K CB 0.472 33.055 32.500 0.137 0.000 1.668 204 K HN -0.092 nan 8.250 nan 0.000 0.314 205 K N 1.046 121.403 120.400 -0.071 0.000 2.487 205 K HA -0.039 4.266 4.320 -0.024 0.000 0.192 205 K C 0.592 176.909 176.600 -0.471 0.000 1.027 205 K CA 0.471 56.610 56.287 -0.247 0.000 1.054 205 K CB 0.162 32.501 32.500 -0.268 0.000 0.824 205 K HN 0.417 nan 8.250 nan 0.000 0.510 206 N N -0.149 118.369 118.700 -0.303 0.000 2.234 206 N HA 0.054 4.780 4.740 -0.024 0.000 0.227 206 N C -0.170 175.245 175.510 -0.159 0.000 1.151 206 N CA -0.070 52.857 53.050 -0.205 0.000 0.865 206 N CB 0.389 38.856 38.487 -0.033 0.000 1.066 206 N HN -0.113 nan 8.380 nan 0.000 0.515 207 M N 0.745 120.196 119.600 -0.249 0.000 2.535 207 M HA 0.473 4.939 4.480 -0.024 0.000 0.314 207 M C -0.879 175.066 176.300 -0.591 0.000 1.153 207 M CA -0.565 54.468 55.300 -0.445 0.000 0.924 207 M CB 2.366 34.569 32.600 -0.660 0.000 1.710 207 M HN -0.069 nan 8.290 nan 0.000 0.451 208 L N 2.117 123.008 121.223 -0.554 0.000 2.341 208 L HA 0.586 4.911 4.340 -0.024 0.000 0.278 208 L C -1.224 175.349 176.870 -0.495 0.000 1.005 208 L CA -0.419 54.175 54.840 -0.410 0.000 0.818 208 L CB 1.430 43.386 42.059 -0.172 0.000 1.259 208 L HN 0.507 nan 8.230 nan 0.000 0.418 209 F N 0.633 120.577 119.950 -0.010 0.000 2.443 209 F HA 0.296 4.808 4.527 -0.024 0.000 0.335 209 F C 0.910 176.707 175.800 -0.005 0.000 1.104 209 F CA -0.563 57.431 58.000 -0.011 0.000 1.013 209 F CB 1.962 40.949 39.000 -0.021 0.000 1.136 209 F HN 0.367 nan 8.300 nan 0.000 0.470 210 S N 1.916 117.729 115.700 0.187 0.000 2.546 210 S HA 0.365 4.821 4.470 -0.024 0.000 0.290 210 S C 1.005 175.669 174.600 0.108 0.000 1.290 210 S CA 0.979 59.247 58.200 0.112 0.000 1.069 210 S CB -0.036 63.218 63.200 0.089 0.000 0.846 210 S HN 1.148 nan 8.310 nan 0.000 0.495 211 G N 3.142 112.004 108.800 0.104 0.000 2.232 211 G HA2 -0.262 3.684 3.960 -0.024 0.000 0.226 211 G HA3 -0.262 3.684 3.960 -0.024 0.000 0.226 211 G C 0.381 175.347 174.900 0.111 0.000 0.996 211 G CA 0.457 45.630 45.100 0.122 0.000 0.626 211 G HN 1.325 nan 8.290 nan 0.000 0.509 212 T N -0.615 113.996 114.554 0.094 0.000 2.729 212 T HA 0.551 4.886 4.350 -0.024 0.000 0.298 212 T C 0.099 174.853 174.700 0.090 0.000 1.013 212 T CA 0.461 62.612 62.100 0.085 0.000 0.957 212 T CB 1.489 70.420 68.868 0.105 0.000 1.130 212 T HN 1.476 nan 8.240 nan 0.000 0.526 213 N N -1.692 117.053 118.700 0.076 0.000 2.416 213 N HA 0.448 5.174 4.740 -0.024 0.000 0.276 213 N C -1.354 174.184 175.510 0.046 0.000 1.261 213 N CA -1.122 51.966 53.050 0.064 0.000 0.790 213 N CB 1.231 39.763 38.487 0.074 0.000 1.554 213 N HN 0.477 nan 8.380 nan 0.000 0.481 214 I N 1.509 122.100 120.570 0.037 0.000 2.301 214 I HA 0.248 4.403 4.170 -0.024 0.000 0.292 214 I C 1.004 177.136 176.117 0.026 0.000 1.046 214 I CA -0.295 61.021 61.300 0.028 0.000 1.282 214 I CB 0.362 38.377 38.000 0.024 0.000 1.409 214 I HN 0.970 nan 8.210 nan 0.000 0.484 215 A N 5.538 128.371 122.820 0.023 0.000 2.030 215 A HA 0.572 4.878 4.320 -0.024 0.000 0.215 215 A C 0.975 178.571 177.584 0.019 0.000 1.164 215 A CA 0.836 52.884 52.037 0.018 0.000 0.697 215 A CB 0.216 19.223 19.000 0.012 0.000 0.827 215 A HN 0.798 nan 8.150 nan 0.000 0.457 216 A N -2.861 119.972 122.820 0.022 0.000 2.599 216 A HA 0.641 4.947 4.320 -0.024 0.000 0.294 216 A C 0.248 177.854 177.584 0.037 0.000 1.055 216 A CA 0.164 52.219 52.037 0.031 0.000 0.683 216 A CB -0.064 18.956 19.000 0.033 0.000 1.278 216 A HN 2.132 nan 8.150 nan 0.000 0.412 217 G N 0.181 109.007 108.800 0.043 0.000 2.610 217 G HA2 0.383 4.328 3.960 -0.024 0.000 0.304 217 G HA3 0.383 4.328 3.960 -0.024 0.000 0.304 217 G C -0.566 174.357 174.900 0.040 0.000 1.309 217 G CA 0.046 45.174 45.100 0.046 0.000 0.906 217 G HN 1.550 nan 8.290 nan 0.000 0.521 218 K N -0.670 119.754 120.400 0.040 0.000 2.542 218 K HA 0.764 5.069 4.320 -0.024 0.000 0.259 218 K C -0.499 176.123 176.600 0.037 0.000 0.932 218 K CA -0.067 56.243 56.287 0.039 0.000 0.820 218 K CB 1.671 34.196 32.500 0.043 0.000 1.345 218 K HN 2.186 nan 8.250 nan 0.000 0.432 219 A N 2.627 125.469 122.820 0.037 0.000 2.602 219 A HA 0.731 5.036 4.320 -0.024 0.000 0.290 219 A C -2.261 175.349 177.584 0.043 0.000 1.114 219 A CA -0.711 51.346 52.037 0.033 0.000 0.683 219 A CB 1.525 20.536 19.000 0.019 0.000 1.281 219 A HN 0.485 nan 8.150 nan 0.000 0.416 220 L N 0.099 121.344 121.223 0.037 0.000 2.362 220 L HA 0.898 5.223 4.340 -0.024 0.000 0.271 220 L C 0.416 177.302 176.870 0.026 0.000 1.002 220 L CA 0.605 55.473 54.840 0.048 0.000 0.818 220 L CB 2.045 44.127 42.059 0.037 0.000 1.298 220 L HN 1.324 nan 8.230 nan 0.000 0.420 221 G N 2.952 111.767 108.800 0.026 0.000 2.687 221 G HA2 0.515 4.461 3.960 -0.024 0.000 0.291 221 G HA3 0.515 4.461 3.960 -0.024 0.000 0.291 221 G C -2.003 172.903 174.900 0.009 0.000 1.420 221 G CA -0.549 44.556 45.100 0.008 0.000 0.796 221 G HN 0.676 nan 8.290 nan 0.000 0.485 222 I N 0.660 121.233 120.570 0.005 0.000 2.404 222 I HA 0.552 4.708 4.170 -0.024 0.000 0.293 222 I C -0.227 175.867 176.117 -0.038 0.000 0.992 222 I CA -0.955 60.342 61.300 -0.004 0.000 1.149 222 I CB 1.763 39.797 38.000 0.056 0.000 1.315 222 I HN 0.256 nan 8.210 nan 0.000 0.446 223 V N 8.277 128.130 119.914 -0.103 0.000 2.529 223 V HA 0.136 4.242 4.120 -0.024 0.000 0.292 223 V C 1.061 177.081 176.094 -0.123 0.000 1.028 223 V CA 0.780 63.008 62.300 -0.120 0.000 1.074 223 V CB 0.683 32.416 31.823 -0.151 0.000 0.958 223 V HN 0.984 nan 8.190 nan 0.000 0.481 224 A N 4.392 127.184 122.820 -0.046 0.000 1.942 224 A HA 0.341 4.647 4.320 -0.024 0.000 0.209 224 A C 1.023 178.596 177.584 -0.018 0.000 1.214 224 A CA 1.019 53.073 52.037 0.028 0.000 0.686 224 A CB 0.220 19.229 19.000 0.015 0.000 0.871 224 A HN 0.859 nan 8.150 nan 0.000 0.460 225 T N -2.959 111.569 114.554 -0.043 0.000 2.864 225 T HA 0.615 4.950 4.350 -0.024 0.000 0.299 225 T C -0.468 174.207 174.700 -0.042 0.000 1.166 225 T CA 0.099 62.165 62.100 -0.056 0.000 1.007 225 T CB 1.607 70.475 68.868 0.001 0.000 1.219 225 T HN 0.681 nan 8.240 nan 0.000 0.506 226 T N -2.331 112.204 114.554 -0.032 0.000 2.778 226 T HA 0.818 5.153 4.350 -0.024 0.000 0.293 226 T C 0.952 175.674 174.700 0.037 0.000 1.144 226 T CA -0.045 62.057 62.100 0.003 0.000 1.010 226 T CB 1.017 69.882 68.868 -0.004 0.000 1.325 226 T HN 2.144 nan 8.240 nan 0.000 0.515 227 G N 0.234 109.065 108.800 0.051 0.000 2.594 227 G HA2 -0.299 3.647 3.960 -0.024 0.000 0.297 227 G HA3 -0.299 3.647 3.960 -0.024 0.000 0.297 227 G C 1.172 176.102 174.900 0.051 0.000 1.273 227 G CA 1.813 46.950 45.100 0.061 0.000 0.974 227 G HN 2.133 nan 8.290 nan 0.000 0.552 228 V N -2.124 117.821 119.914 0.051 0.000 3.078 228 V HA 0.162 4.268 4.120 -0.024 0.000 0.265 228 V C 2.129 178.245 176.094 0.036 0.000 1.122 228 V CA 2.669 64.992 62.300 0.039 0.000 1.141 228 V CB -0.140 31.704 31.823 0.035 0.000 0.735 228 V HN 0.968 nan 8.190 nan 0.000 0.498 229 S N 1.195 116.923 115.700 0.045 0.000 2.710 229 S HA 0.144 4.599 4.470 -0.024 0.000 0.224 229 S C 0.886 175.513 174.600 0.045 0.000 0.948 229 S CA 0.515 58.741 58.200 0.044 0.000 0.949 229 S CB -0.696 62.536 63.200 0.054 0.000 0.778 229 S HN 0.959 nan 8.310 nan 0.000 0.498 230 T N -1.222 113.359 114.554 0.045 0.000 2.937 230 T HA 0.424 4.760 4.350 -0.024 0.000 0.283 230 T C 0.894 175.616 174.700 0.038 0.000 1.012 230 T CA -0.805 61.334 62.100 0.064 0.000 0.997 230 T CB 1.062 69.974 68.868 0.073 0.000 1.136 230 T HN -0.184 nan 8.240 nan 0.000 0.551 231 E N 0.082 120.307 120.200 0.042 0.000 2.077 231 E HA -0.080 4.256 4.350 -0.024 0.000 0.193 231 E C 1.816 178.380 176.600 -0.058 0.000 0.989 231 E CA 0.958 57.322 56.400 -0.061 0.000 0.800 231 E CB -0.309 29.260 29.700 -0.220 0.000 0.746 231 E HN 0.706 nan 8.360 nan 0.000 0.452 232 I N 0.510 121.068 120.570 -0.020 0.000 2.493 232 I HA -0.132 4.023 4.170 -0.024 0.000 0.254 232 I C 2.045 178.157 176.117 -0.009 0.000 1.160 232 I CA 1.171 62.457 61.300 -0.024 0.000 1.445 232 I CB -0.157 37.843 38.000 0.000 0.000 1.086 232 I HN 0.048 nan 8.210 nan 0.000 0.433 233 G N 0.526 109.331 108.800 0.007 0.000 2.408 233 G HA2 -0.231 3.715 3.960 -0.024 0.000 0.217 233 G HA3 -0.231 3.715 3.960 -0.024 0.000 0.217 233 G C 1.704 176.600 174.900 -0.006 0.000 1.150 233 G CA 0.425 45.531 45.100 0.010 0.000 0.776 233 G HN 0.318 nan 8.290 nan 0.000 0.542 234 K N -0.156 120.232 120.400 -0.021 0.000 2.097 234 K HA 0.025 4.331 4.320 -0.024 0.000 0.206 234 K C 2.391 178.964 176.600 -0.045 0.000 1.049 234 K CA 0.849 57.114 56.287 -0.037 0.000 0.933 234 K CB -0.208 32.258 32.500 -0.057 0.000 0.717 234 K HN 0.340 nan 8.250 nan 0.000 0.442 235 I N 0.758 121.298 120.570 -0.050 0.000 2.202 235 I HA -0.277 3.878 4.170 -0.024 0.000 0.242 235 I C 2.707 178.805 176.117 -0.031 0.000 1.091 235 I CA 0.944 62.214 61.300 -0.051 0.000 1.368 235 I CB -0.278 37.685 38.000 -0.062 0.000 1.058 235 I HN 0.168 nan 8.210 nan 0.000 0.410 236 R N 1.250 121.740 120.500 -0.017 0.000 2.091 236 R HA -0.220 4.106 4.340 -0.024 0.000 0.238 236 R C 1.628 177.923 176.300 -0.008 0.000 1.136 236 R CA 2.120 58.218 56.100 -0.004 0.000 0.959 236 R CB -0.598 29.708 30.300 0.010 0.000 0.856 236 R HN 0.303 nan 8.270 nan 0.000 0.437 237 D N 0.621 121.014 120.400 -0.012 0.000 2.144 237 D HA -0.141 4.484 4.640 -0.024 0.000 0.199 237 D C 2.065 178.352 176.300 -0.021 0.000 0.984 237 D CA 1.130 55.122 54.000 -0.013 0.000 0.834 237 D CB -0.103 40.690 40.800 -0.013 0.000 0.955 237 D HN 0.399 nan 8.370 nan 0.000 0.465 238 Q N -0.664 119.117 119.800 -0.031 0.000 2.172 238 Q HA 0.028 4.354 4.340 -0.024 0.000 0.200 238 Q C 2.074 178.055 176.000 -0.031 0.000 0.964 238 Q CA 0.615 56.396 55.803 -0.038 0.000 0.855 238 Q CB -0.023 28.684 28.738 -0.051 0.000 0.918 238 Q HN 0.360 nan 8.270 nan 0.000 0.444 239 M N -0.284 119.301 119.600 -0.025 0.000 2.492 239 M HA -0.015 4.450 4.480 -0.024 0.000 0.262 239 M C 1.946 178.237 176.300 -0.014 0.000 1.090 239 M CA 0.773 56.062 55.300 -0.019 0.000 1.110 239 M CB 0.108 32.700 32.600 -0.013 0.000 1.407 239 M HN 0.128 nan 8.290 nan 0.000 0.470 240 A N 0.383 123.196 122.820 -0.012 0.000 2.072 240 A HA 0.348 4.654 4.320 -0.024 0.000 0.216 240 A C 1.495 179.072 177.584 -0.011 0.000 1.156 240 A CA 0.543 52.575 52.037 -0.008 0.000 0.701 240 A CB -0.395 18.603 19.000 -0.003 0.000 0.816 240 A HN 0.374 nan 8.150 nan 0.000 0.458 241 A N 1.098 123.908 122.820 -0.017 0.000 2.993 241 A HA 0.363 4.669 4.320 -0.024 0.000 0.281 241 A C 0.758 178.331 177.584 -0.019 0.000 1.847 241 A CA 0.483 52.508 52.037 -0.019 0.000 1.470 241 A CB -1.119 17.864 19.000 -0.027 0.000 1.028 241 A HN 0.236 nan 8.150 nan 0.000 0.604 242 T N 1.325 115.871 114.554 -0.014 0.000 3.324 242 T HA 0.056 4.392 4.350 -0.024 0.000 0.250 242 T C 0.554 175.247 174.700 -0.012 0.000 1.059 242 T CA 0.149 62.241 62.100 -0.013 0.000 0.951 242 T CB -0.583 68.280 68.868 -0.009 0.000 1.030 242 T HN 0.889 nan 8.240 nan 0.000 0.576 243 E N 2.483 122.675 120.200 -0.014 0.000 2.244 243 E HA -0.085 4.250 4.350 -0.024 0.000 0.243 243 E C 0.449 177.042 176.600 -0.012 0.000 1.250 243 E CA 0.014 56.406 56.400 -0.012 0.000 0.988 243 E CB -0.505 29.186 29.700 -0.016 0.000 1.095 243 E HN 0.492 nan 8.360 nan 0.000 0.454 244 Q N 1.137 120.932 119.800 -0.009 0.000 2.365 244 Q HA -0.384 3.941 4.340 -0.024 0.000 0.418 244 Q C 0.213 176.206 176.000 -0.011 0.000 0.738 244 Q CA 1.893 57.692 55.803 -0.008 0.000 0.990 244 Q CB -1.353 27.382 28.738 -0.005 0.000 1.967 244 Q HN 0.809 nan 8.270 nan 0.000 0.954 245 D N 1.777 122.171 120.400 -0.010 0.000 2.980 245 D HA -0.145 4.480 4.640 -0.024 0.000 0.218 245 D C -1.146 175.146 176.300 -0.013 0.000 1.225 245 D CA 1.598 55.591 54.000 -0.012 0.000 0.804 245 D CB -0.376 40.414 40.800 -0.016 0.000 0.906 245 D HN 0.210 nan 8.370 nan 0.000 0.396 246 K N 0.324 120.718 120.400 -0.010 0.000 2.166 246 K HA 0.490 4.796 4.320 -0.024 0.000 0.245 246 K C 0.614 177.209 176.600 -0.008 0.000 0.967 246 K CA -0.587 55.692 56.287 -0.013 0.000 0.863 246 K CB 1.023 33.515 32.500 -0.014 0.000 1.107 246 K HN 0.328 nan 8.250 nan 0.000 0.436 247 T N -0.655 113.891 114.554 -0.013 0.000 2.856 247 T HA -0.068 4.267 4.350 -0.024 0.000 0.327 247 T C -1.358 173.345 174.700 0.006 0.000 1.061 247 T CA -0.778 61.318 62.100 -0.008 0.000 1.131 247 T CB -0.038 68.823 68.868 -0.012 0.000 1.083 247 T HN 0.437 nan 8.240 nan 0.000 0.518 248 P HA -0.016 nan 4.420 nan 0.000 0.231 248 P C 1.458 178.782 177.300 0.040 0.000 1.158 248 P CA 0.249 63.363 63.100 0.023 0.000 0.763 248 P CB 0.058 31.768 31.700 0.016 0.000 0.805 249 L N 0.723 121.968 121.223 0.037 0.000 1.971 249 L HA -0.083 4.242 4.340 -0.024 0.000 0.208 249 L C 2.655 179.551 176.870 0.043 0.000 1.083 249 L CA 1.898 56.766 54.840 0.047 0.000 0.753 249 L CB -1.513 40.569 42.059 0.038 0.000 0.893 249 L HN -0.192 nan 8.230 nan 0.000 0.436 250 Q N -0.780 119.037 119.800 0.029 0.000 2.389 250 Q HA -0.292 4.034 4.340 -0.024 0.000 0.213 250 Q C 1.953 177.973 176.000 0.034 0.000 0.989 250 Q CA 1.972 57.791 55.803 0.027 0.000 0.891 250 Q CB -0.230 28.513 28.738 0.008 0.000 0.923 250 Q HN 0.633 nan 8.270 nan 0.000 0.455 251 Q N -0.362 119.460 119.800 0.036 0.000 2.089 251 Q HA -0.031 4.294 4.340 -0.024 0.000 0.195 251 Q C 1.348 177.383 176.000 0.059 0.000 0.963 251 Q CA 1.412 57.240 55.803 0.041 0.000 0.834 251 Q CB -0.030 28.728 28.738 0.032 0.000 0.906 251 Q HN 0.080 nan 8.270 nan 0.000 0.452 252 K N 0.318 120.757 120.400 0.065 0.000 2.283 252 K HA -0.000 4.305 4.320 -0.024 0.000 0.202 252 K C 1.967 178.628 176.600 0.102 0.000 1.048 252 K CA 0.608 56.942 56.287 0.077 0.000 0.948 252 K CB -0.231 32.313 32.500 0.074 0.000 0.742 252 K HN 0.314 nan 8.250 nan 0.000 0.458 253 L N 0.662 121.944 121.223 0.099 0.000 1.982 253 L HA -0.179 4.147 4.340 -0.024 0.000 0.206 253 L C 1.776 178.730 176.870 0.140 0.000 1.078 253 L CA 1.274 56.193 54.840 0.131 0.000 0.749 253 L CB -0.637 41.479 42.059 0.096 0.000 0.894 253 L HN 0.070 nan 8.230 nan 0.000 0.436 254 D N -0.066 120.387 120.400 0.087 0.000 2.239 254 D HA -0.257 4.368 4.640 -0.024 0.000 0.202 254 D C 1.925 178.275 176.300 0.082 0.000 0.993 254 D CA 1.348 55.388 54.000 0.066 0.000 0.874 254 D CB -0.085 40.740 40.800 0.042 0.000 0.922 254 D HN 0.432 nan 8.370 nan 0.000 0.464 255 E N -0.671 119.594 120.200 0.109 0.000 2.058 255 E HA -0.212 4.123 4.350 -0.024 0.000 0.194 255 E C 1.909 178.626 176.600 0.194 0.000 0.997 255 E CA 0.785 57.260 56.400 0.125 0.000 0.801 255 E CB -0.230 29.542 29.700 0.120 0.000 0.746 255 E HN 0.202 nan 8.360 nan 0.000 0.450 256 F N 0.913 120.883 119.950 0.034 0.000 2.234 256 F HA 0.205 4.717 4.527 -0.025 0.000 0.296 256 F C 2.081 177.901 175.800 0.034 0.000 1.089 256 F CA 1.405 59.427 58.000 0.038 0.000 1.343 256 F CB -0.662 38.361 39.000 0.038 0.000 1.040 256 F HN 0.109 nan 8.300 nan 0.000 0.498 257 G N -0.590 108.219 108.800 0.016 0.000 2.615 257 G HA2 -0.193 3.753 3.960 -0.024 0.000 0.213 257 G HA3 -0.193 3.753 3.960 -0.024 0.000 0.213 257 G C 1.449 176.303 174.900 -0.078 0.000 1.135 257 G CA 0.911 45.966 45.100 -0.074 0.000 0.772 257 G HN 0.463 nan 8.290 nan 0.000 0.542 258 E N -1.331 118.840 120.200 -0.048 0.000 2.306 258 E HA 0.026 4.362 4.350 -0.024 0.000 0.201 258 E C 2.331 178.904 176.600 -0.045 0.000 0.874 258 E CA -0.374 56.008 56.400 -0.031 0.000 0.972 258 E CB 0.006 29.712 29.700 0.009 0.000 0.957 258 E HN 0.118 nan 8.360 nan 0.000 0.492 259 Q N 1.009 120.796 119.800 -0.022 0.000 1.967 259 Q HA -0.229 4.097 4.340 -0.024 0.000 0.210 259 Q C 2.362 178.303 176.000 -0.098 0.000 1.005 259 Q CA 1.380 57.186 55.803 0.005 0.000 0.862 259 Q CB -0.583 28.256 28.738 0.168 0.000 0.939 259 Q HN 0.186 nan 8.270 nan 0.000 0.417 260 L N 1.172 122.194 121.223 -0.336 0.000 1.990 260 L HA -0.220 4.106 4.340 -0.024 0.000 0.213 260 L C 2.491 179.254 176.870 -0.178 0.000 1.072 260 L CA 2.655 57.278 54.840 -0.362 0.000 0.755 260 L CB -1.177 40.461 42.059 -0.703 0.000 0.889 260 L HN 0.367 nan 8.230 nan 0.000 0.432 261 S N -1.988 113.618 115.700 -0.158 0.000 2.465 261 S HA -0.165 4.291 4.470 -0.024 0.000 0.241 261 S C 1.830 176.403 174.600 -0.044 0.000 1.000 261 S CA 0.975 59.126 58.200 -0.082 0.000 0.964 261 S CB -0.387 62.777 63.200 -0.061 0.000 0.763 261 S HN 0.367 nan 8.310 nan 0.000 0.512 262 K N 0.411 120.788 120.400 -0.039 0.000 2.355 262 K HA 0.404 4.709 4.320 -0.024 0.000 0.198 262 K C 1.602 178.201 176.600 -0.003 0.000 1.039 262 K CA 0.191 56.471 56.287 -0.012 0.000 1.075 262 K CB 0.095 32.595 32.500 -0.001 0.000 0.870 262 K HN 0.356 nan 8.250 nan 0.000 0.540 263 V N 1.040 120.947 119.914 -0.013 0.000 2.535 263 V HA -0.073 4.032 4.120 -0.024 0.000 0.246 263 V C 2.182 178.273 176.094 -0.006 0.000 1.045 263 V CA 0.925 63.227 62.300 0.003 0.000 1.058 263 V CB -0.181 31.652 31.823 0.016 0.000 0.689 263 V HN 0.144 nan 8.190 nan 0.000 0.461 264 I N 1.121 121.679 120.570 -0.020 0.000 2.099 264 I HA -0.295 3.860 4.170 -0.024 0.000 0.239 264 I C 2.802 178.924 176.117 0.009 0.000 1.066 264 I CA 2.142 63.435 61.300 -0.011 0.000 1.324 264 I CB -0.505 37.484 38.000 -0.018 0.000 1.037 264 I HN 0.503 nan 8.210 nan 0.000 0.401 265 S N 1.402 117.109 115.700 0.012 0.000 2.374 265 S HA -0.202 4.254 4.470 -0.024 0.000 0.227 265 S C 1.866 176.490 174.600 0.040 0.000 1.037 265 S CA 1.251 59.468 58.200 0.028 0.000 1.024 265 S CB -1.027 62.184 63.200 0.018 0.000 0.861 265 S HN 0.435 nan 8.310 nan 0.000 0.456 266 L N 0.377 121.618 121.223 0.030 0.000 2.622 266 L HA 0.212 4.538 4.340 -0.024 0.000 0.233 266 L C 2.028 178.921 176.870 0.038 0.000 1.156 266 L CA 0.537 55.401 54.840 0.039 0.000 0.866 266 L CB -0.478 41.600 42.059 0.031 0.000 0.980 266 L HN 0.371 nan 8.230 nan 0.000 0.448 267 I N -1.716 118.869 120.570 0.025 0.000 2.927 267 I HA -0.155 4.001 4.170 -0.024 0.000 0.268 267 I C 2.267 178.442 176.117 0.096 0.000 1.153 267 I CA 0.288 61.593 61.300 0.008 0.000 1.459 267 I CB 0.115 38.086 38.000 -0.048 0.000 1.149 267 I HN 0.254 nan 8.210 nan 0.000 0.443 268 C N 0.211 119.567 119.300 0.095 0.000 2.419 268 C HA -0.092 4.354 4.460 -0.024 0.000 0.283 268 C C 2.786 177.911 174.990 0.226 0.000 1.373 268 C CA 0.651 59.750 59.018 0.135 0.000 1.781 268 C CB -0.632 27.173 27.740 0.108 0.000 1.886 268 C HN 0.412 nan 8.230 nan 0.000 0.520 269 V N 0.451 120.479 119.914 0.190 0.000 2.725 269 V HA 0.103 4.209 4.120 -0.024 0.000 0.247 269 V C 2.372 178.654 176.094 0.314 0.000 1.058 269 V CA 1.877 64.319 62.300 0.237 0.000 1.080 269 V CB -0.263 31.641 31.823 0.135 0.000 0.713 269 V HN 0.463 nan 8.190 nan 0.000 0.465 270 A N -0.990 121.976 122.820 0.244 0.000 2.119 270 A HA 0.008 4.314 4.320 -0.024 0.000 0.216 270 A C 2.169 179.972 177.584 0.366 0.000 1.152 270 A CA 1.381 53.576 52.037 0.263 0.000 0.708 270 A CB -0.201 18.904 19.000 0.175 0.000 0.805 270 A HN 0.371 nan 8.150 nan 0.000 0.460 271 V N -2.264 117.879 119.914 0.382 0.000 2.591 271 V HA -0.160 3.945 4.120 -0.024 0.000 0.249 271 V C 1.999 178.262 176.094 0.282 0.000 1.053 271 V CA 1.452 63.953 62.300 0.335 0.000 1.068 271 V CB -0.499 31.476 31.823 0.253 0.000 0.689 271 V HN 0.905 nan 8.190 nan 0.000 0.462 272 W N 0.040 121.458 121.300 0.197 0.000 2.595 272 W HA -0.019 4.627 4.660 -0.024 0.000 0.257 272 W C 1.828 178.400 176.519 0.089 0.000 1.267 272 W CA 0.986 58.447 57.345 0.194 0.000 1.300 272 W CB 0.040 29.614 29.460 0.189 0.000 1.120 272 W HN 0.161 nan 8.180 nan 0.000 0.618 273 L N 0.167 121.444 121.223 0.091 0.000 2.044 273 L HA -0.150 4.176 4.340 -0.024 0.000 0.205 273 L C 2.168 178.923 176.870 -0.192 0.000 1.075 273 L CA 1.205 55.986 54.840 -0.098 0.000 0.747 273 L CB -0.718 41.405 42.059 0.107 0.000 0.903 273 L HN -0.040 nan 8.230 nan 0.000 0.435 274 I N -0.681 119.835 120.570 -0.091 0.000 3.059 274 I HA -0.178 3.977 4.170 -0.024 0.000 0.270 274 I C 2.124 178.051 176.117 -0.316 0.000 1.238 274 I CA 0.707 61.930 61.300 -0.128 0.000 1.478 274 I CB -0.443 37.532 38.000 -0.042 0.000 1.097 274 I HN 0.371 nan 8.210 nan 0.000 0.455 275 N N 1.288 119.814 118.700 -0.290 0.000 2.396 275 N HA -0.116 4.610 4.740 -0.024 0.000 0.180 275 N C 1.704 176.938 175.510 -0.460 0.000 1.028 275 N CA 0.723 53.579 53.050 -0.322 0.000 0.893 275 N CB 0.348 38.806 38.487 -0.047 0.000 0.967 275 N HN 0.214 nan 8.380 nan 0.000 0.440 276 I N 0.340 120.562 120.570 -0.580 0.000 3.860 276 I HA 0.174 4.330 4.170 -0.024 0.000 0.319 276 I C 1.929 177.882 176.117 -0.274 0.000 1.279 276 I CA 0.087 61.086 61.300 -0.501 0.000 1.220 276 I CB -0.022 37.452 38.000 -0.878 0.000 1.027 276 I HN 0.012 nan 8.210 nan 0.000 0.428 277 G N 0.364 108.973 108.800 -0.318 0.000 2.418 277 G HA2 -0.253 3.693 3.960 -0.024 0.000 0.217 277 G HA3 -0.253 3.693 3.960 -0.024 0.000 0.217 277 G C 0.746 175.625 174.900 -0.035 0.000 1.158 277 G CA 1.027 46.041 45.100 -0.144 0.000 0.771 277 G HN 0.678 nan 8.290 nan 0.000 0.545 278 H N -2.218 116.840 119.070 -0.019 0.000 2.476 278 H HA 0.504 5.045 4.556 -0.024 0.000 0.256 278 H C 0.539 175.875 175.328 0.013 0.000 1.321 278 H CA -0.990 55.046 56.048 -0.020 0.000 1.056 278 H CB -0.077 29.661 29.762 -0.040 0.000 1.643 278 H HN 0.192 nan 8.280 nan 0.000 0.541 279 F N 1.895 121.785 119.950 -0.100 0.000 2.749 279 F HA 0.119 4.632 4.527 -0.024 0.000 0.300 279 F C 0.942 176.732 175.800 -0.016 0.000 1.103 279 F CA -0.317 57.637 58.000 -0.077 0.000 1.342 279 F CB 0.243 39.199 39.000 -0.073 0.000 1.098 279 F HN 0.267 nan 8.300 nan 0.000 0.586 280 N N 0.225 118.801 118.700 -0.207 0.000 2.461 280 N HA -0.006 4.719 4.740 -0.024 0.000 0.188 280 N C -0.690 174.713 175.510 -0.178 0.000 1.134 280 N CA 0.833 53.740 53.050 -0.237 0.000 0.878 280 N CB -0.535 37.903 38.487 -0.081 0.000 0.972 280 N HN 0.436 nan 8.380 nan 0.000 0.456 281 D N -2.249 118.053 120.400 -0.163 0.000 3.060 281 D HA 0.195 4.820 4.640 -0.024 0.000 0.326 281 D C -2.315 173.886 176.300 -0.166 0.000 1.253 281 D CA -1.327 52.598 54.000 -0.125 0.000 0.737 281 D CB 0.528 41.284 40.800 -0.073 0.000 1.260 281 D HN -0.022 nan 8.370 nan 0.000 0.542 282 P HA 0.070 nan 4.420 nan 0.000 0.241 282 P C 0.823 177.938 177.300 -0.309 0.000 1.191 282 P CA 0.097 62.976 63.100 -0.368 0.000 0.771 282 P CB 0.479 31.757 31.700 -0.703 0.000 0.929 283 V N -3.453 116.346 119.914 -0.192 0.000 2.070 283 V HA -0.346 3.759 4.120 -0.024 0.000 0.100 283 V C 0.530 176.582 176.094 -0.070 0.000 0.533 283 V CA 1.505 63.742 62.300 -0.105 0.000 1.406 283 V CB -3.288 28.467 31.823 -0.113 0.000 1.610 283 V HN 0.393 nan 8.190 nan 0.000 0.921 284 H N -0.766 118.160 119.070 -0.241 0.000 2.518 284 H HA -0.113 4.429 4.556 -0.024 0.000 0.320 284 H C 1.316 176.519 175.328 -0.210 0.000 1.041 284 H CA 1.402 57.278 56.048 -0.286 0.000 1.129 284 H CB -1.043 28.576 29.762 -0.239 0.000 1.453 284 H HN 0.893 nan 8.280 nan 0.000 0.399 285 G N -1.243 107.478 108.800 -0.133 0.000 3.695 285 G HA2 0.353 4.298 3.960 -0.024 0.000 0.277 285 G HA3 0.353 4.298 3.960 -0.024 0.000 0.277 285 G C 1.149 175.970 174.900 -0.132 0.000 1.001 285 G CA 0.221 45.260 45.100 -0.102 0.000 0.837 285 G HN 0.514 nan 8.290 nan 0.000 0.492 286 G N 0.776 109.458 108.800 -0.196 0.000 3.519 286 G HA2 0.439 4.384 3.960 -0.024 0.000 0.269 286 G HA3 0.439 4.384 3.960 -0.024 0.000 0.269 286 G C 0.576 175.359 174.900 -0.195 0.000 1.028 286 G CA 0.722 45.711 45.100 -0.185 0.000 0.809 286 G HN 1.271 nan 8.290 nan 0.000 0.521 287 S N -2.052 113.507 115.700 -0.234 0.000 3.722 287 S HA -0.254 4.202 4.470 -0.024 0.000 0.687 287 S C 0.139 174.577 174.600 -0.271 0.000 1.930 287 S CA 0.646 58.717 58.200 -0.215 0.000 2.028 287 S CB -1.064 62.110 63.200 -0.045 0.000 0.336 287 S HN 0.464 nan 8.310 nan 0.000 1.368 288 W N 0.918 122.229 121.300 0.019 0.000 3.387 288 W HA 0.587 5.233 4.660 -0.025 0.000 0.403 288 W C 1.539 178.064 176.519 0.011 0.000 1.073 288 W CA 0.066 57.423 57.345 0.020 0.000 1.866 288 W CB -0.287 29.197 29.460 0.039 0.000 0.981 288 W HN 0.640 nan 8.180 nan 0.000 0.802 289 I N -0.948 119.701 120.570 0.131 0.000 4.706 289 I HA 0.084 4.240 4.170 -0.024 0.000 0.321 289 I C 2.136 178.290 176.117 0.062 0.000 1.249 289 I CA -0.097 61.264 61.300 0.103 0.000 1.321 289 I CB 0.281 38.330 38.000 0.082 0.000 1.342 289 I HN -0.218 nan 8.210 nan 0.000 0.463 290 R N 0.846 121.349 120.500 0.006 0.000 2.341 290 R HA -0.052 4.273 4.340 -0.024 0.000 0.213 290 R C 1.665 177.960 176.300 -0.009 0.000 1.082 290 R CA 1.289 57.375 56.100 -0.023 0.000 1.017 290 R CB -0.041 30.203 30.300 -0.092 0.000 0.860 290 R HN 0.548 nan 8.270 nan 0.000 0.473 291 G N -0.906 107.909 108.800 0.024 0.000 2.853 291 G HA2 0.005 3.951 3.960 -0.024 0.000 0.202 291 G HA3 0.005 3.951 3.960 -0.024 0.000 0.202 291 G C 1.254 176.219 174.900 0.109 0.000 1.118 291 G CA 0.376 45.513 45.100 0.062 0.000 0.831 291 G HN 0.258 nan 8.290 nan 0.000 0.613 292 A N 0.392 123.249 122.820 0.063 0.000 2.131 292 A HA 0.168 4.474 4.320 -0.024 0.000 0.220 292 A C 2.087 179.642 177.584 -0.049 0.000 1.158 292 A CA 0.889 52.900 52.037 -0.043 0.000 0.665 292 A CB -0.325 18.676 19.000 0.002 0.000 0.795 292 A HN 0.374 nan 8.150 nan 0.000 0.460 293 I N -2.639 117.997 120.570 0.111 0.000 3.860 293 I HA 0.003 4.159 4.170 -0.024 0.000 0.319 293 I C 1.805 178.037 176.117 0.192 0.000 1.279 293 I CA 0.299 61.713 61.300 0.190 0.000 1.220 293 I CB 0.110 38.222 38.000 0.187 0.000 1.027 293 I HN 0.539 nan 8.210 nan 0.000 0.428 294 Y N -0.241 120.087 120.300 0.048 0.000 2.475 294 Y HA -0.211 4.325 4.550 -0.023 0.000 0.289 294 Y C 2.260 178.179 175.900 0.033 0.000 1.121 294 Y CA 1.059 59.186 58.100 0.045 0.000 1.257 294 Y CB 0.081 38.556 38.460 0.025 0.000 1.026 294 Y HN 0.182 nan 8.280 nan 0.000 0.555 295 Y N -0.242 119.974 120.300 -0.140 0.000 2.130 295 Y HA -0.232 4.304 4.550 -0.024 0.000 0.287 295 Y C 1.697 177.456 175.900 -0.234 0.000 1.124 295 Y CA 2.070 60.003 58.100 -0.279 0.000 1.118 295 Y CB -0.844 37.343 38.460 -0.455 0.000 0.994 295 Y HN 0.099 nan 8.280 nan 0.000 0.497 296 F N 0.579 120.614 119.950 0.143 0.000 2.186 296 F HA -0.147 4.366 4.527 -0.023 0.000 0.299 296 F C 2.519 178.283 175.800 -0.059 0.000 1.090 296 F CA 1.337 59.364 58.000 0.045 0.000 1.307 296 F CB -0.439 38.644 39.000 0.138 0.000 1.019 296 F HN -0.064 nan 8.300 nan 0.000 0.489 297 K N 0.598 121.063 120.400 0.107 0.000 2.228 297 K HA -0.229 4.077 4.320 -0.024 0.000 0.205 297 K C 1.790 178.324 176.600 -0.111 0.000 1.045 297 K CA 1.315 57.599 56.287 -0.005 0.000 0.931 297 K CB -0.100 32.387 32.500 -0.021 0.000 0.727 297 K HN 0.247 nan 8.250 nan 0.000 0.458 298 I N 0.177 120.614 120.570 -0.223 0.000 2.731 298 I HA -0.037 4.119 4.170 -0.024 0.000 0.260 298 I C 2.337 178.344 176.117 -0.183 0.000 1.138 298 I CA 0.872 62.015 61.300 -0.262 0.000 1.461 298 I CB -1.035 36.719 38.000 -0.410 0.000 1.128 298 I HN 0.135 nan 8.210 nan 0.000 0.438 299 A N 0.634 123.334 122.820 -0.201 0.000 1.972 299 A HA -0.115 4.191 4.320 -0.024 0.000 0.219 299 A C 2.441 180.022 177.584 -0.005 0.000 1.169 299 A CA 1.517 53.492 52.037 -0.103 0.000 0.635 299 A CB -0.706 18.290 19.000 -0.006 0.000 0.810 299 A HN 0.234 nan 8.150 nan 0.000 0.446 300 V N -0.447 119.478 119.914 0.017 0.000 2.379 300 V HA -0.150 3.956 4.120 -0.024 0.000 0.245 300 V C 2.991 179.089 176.094 0.007 0.000 1.044 300 V CA 1.662 63.975 62.300 0.022 0.000 1.036 300 V CB -1.085 30.757 31.823 0.032 0.000 0.664 300 V HN 0.577 nan 8.190 nan 0.000 0.453 301 A N -0.436 122.377 122.820 -0.011 0.000 1.969 301 A HA -0.099 4.207 4.320 -0.024 0.000 0.218 301 A C 2.230 179.812 177.584 -0.002 0.000 1.169 301 A CA 1.464 53.495 52.037 -0.009 0.000 0.635 301 A CB -0.415 18.569 19.000 -0.026 0.000 0.810 301 A HN 0.484 nan 8.150 nan 0.000 0.445 302 L N -1.004 120.212 121.223 -0.010 0.000 2.005 302 L HA -0.158 4.167 4.340 -0.024 0.000 0.207 302 L C 3.168 180.041 176.870 0.005 0.000 1.072 302 L CA 1.040 55.882 54.840 0.002 0.000 0.744 302 L CB -0.634 41.423 42.059 -0.002 0.000 0.895 302 L HN 0.442 nan 8.230 nan 0.000 0.433 303 A N -0.179 122.644 122.820 0.006 0.000 1.859 303 A HA -0.223 4.083 4.320 -0.024 0.000 0.217 303 A C 2.273 179.863 177.584 0.010 0.000 1.198 303 A CA 2.290 54.332 52.037 0.008 0.000 0.629 303 A CB -1.097 17.913 19.000 0.016 0.000 0.830 303 A HN 0.218 nan 8.150 nan 0.000 0.446 304 V N -0.330 119.594 119.914 0.017 0.000 2.392 304 V HA -0.256 3.850 4.120 -0.024 0.000 0.249 304 V C 2.987 179.093 176.094 0.019 0.000 1.059 304 V CA 2.074 64.388 62.300 0.024 0.000 1.051 304 V CB -1.145 30.698 31.823 0.032 0.000 0.658 304 V HN 0.657 nan 8.190 nan 0.000 0.455 305 A N -0.531 122.297 122.820 0.014 0.000 1.968 305 A HA 0.087 4.393 4.320 -0.024 0.000 0.217 305 A C 2.347 179.931 177.584 0.000 0.000 1.169 305 A CA 1.636 53.678 52.037 0.008 0.000 0.638 305 A CB -0.471 18.535 19.000 0.010 0.000 0.812 305 A HN 0.537 nan 8.150 nan 0.000 0.446 306 A N -0.176 122.643 122.820 -0.002 0.000 1.874 306 A HA 0.244 4.550 4.320 -0.024 0.000 0.214 306 A C 1.015 178.592 177.584 -0.012 0.000 1.189 306 A CA 0.442 52.474 52.037 -0.009 0.000 0.615 306 A CB -0.335 18.654 19.000 -0.018 0.000 0.830 306 A HN 0.417 nan 8.150 nan 0.000 0.443 307 I N 1.267 121.830 120.570 -0.012 0.000 2.396 307 I HA 0.157 4.313 4.170 -0.024 0.000 0.289 307 I C -2.306 173.819 176.117 0.013 0.000 1.056 307 I CA -1.906 59.388 61.300 -0.011 0.000 1.365 307 I CB 1.290 39.286 38.000 -0.006 0.000 1.407 307 I HN 0.058 nan 8.210 nan 0.000 0.509 308 P HA 0.037 nan 4.420 nan 0.000 0.237 308 P C -0.379 176.944 177.300 0.037 0.000 1.788 308 P CA -0.405 62.719 63.100 0.039 0.000 1.061 308 P CB -0.345 31.405 31.700 0.083 0.000 1.967 309 E N 0.840 121.056 120.200 0.027 0.000 2.438 309 E HA 0.029 4.365 4.350 -0.024 0.000 0.261 309 E C 1.186 177.796 176.600 0.017 0.000 1.103 309 E CA 0.406 56.824 56.400 0.030 0.000 0.959 309 E CB -0.341 29.380 29.700 0.036 0.000 0.958 309 E HN 0.415 nan 8.360 nan 0.000 0.447 310 G N 1.344 110.153 108.800 0.015 0.000 2.196 310 G HA2 -0.358 3.588 3.960 -0.024 0.000 0.268 310 G HA3 -0.358 3.588 3.960 -0.024 0.000 0.268 310 G C 0.701 175.598 174.900 -0.005 0.000 0.975 310 G CA 0.525 45.621 45.100 -0.006 0.000 0.648 310 G HN 0.537 nan 8.290 nan 0.000 0.538 311 L N 0.516 121.757 121.223 0.029 0.000 2.012 311 L HA -0.058 4.267 4.340 -0.024 0.000 0.210 311 L C 0.481 177.390 176.870 0.064 0.000 1.073 311 L CA 2.789 57.667 54.840 0.064 0.000 0.748 311 L CB -1.030 41.096 42.059 0.112 0.000 0.891 311 L HN 0.232 nan 8.230 nan 0.000 0.431 312 P HA -0.196 nan 4.420 nan 0.000 0.215 312 P C 1.487 178.814 177.300 0.046 0.000 1.157 312 P CA 2.006 65.143 63.100 0.062 0.000 0.874 312 P CB -0.104 31.626 31.700 0.051 0.000 0.790 313 A N -0.493 122.337 122.820 0.016 0.000 1.892 313 A HA -0.214 4.092 4.320 -0.024 0.000 0.218 313 A C 2.428 179.990 177.584 -0.036 0.000 1.188 313 A CA 2.376 54.409 52.037 -0.007 0.000 0.631 313 A CB -1.811 17.171 19.000 -0.032 0.000 0.822 313 A HN 0.204 nan 8.150 nan 0.000 0.447 314 V N -0.315 119.544 119.914 -0.092 0.000 2.548 314 V HA -0.127 3.979 4.120 -0.024 0.000 0.249 314 V C 2.108 178.112 176.094 -0.150 0.000 1.055 314 V CA 1.853 64.015 62.300 -0.229 0.000 1.065 314 V CB -0.378 31.173 31.823 -0.454 0.000 0.681 314 V HN 0.542 nan 8.190 nan 0.000 0.462 315 I N 0.200 120.792 120.570 0.037 0.000 2.286 315 I HA -0.164 3.992 4.170 -0.024 0.000 0.245 315 I C 2.520 178.715 176.117 0.131 0.000 1.104 315 I CA 1.867 63.279 61.300 0.187 0.000 1.397 315 I CB -0.654 37.462 38.000 0.193 0.000 1.072 315 I HN 0.324 nan 8.210 nan 0.000 0.417 316 T N -0.022 114.593 114.554 0.101 0.000 2.674 316 T HA -0.179 4.157 4.350 -0.024 0.000 0.265 316 T C 1.917 176.686 174.700 0.115 0.000 1.039 316 T CA 2.056 64.232 62.100 0.126 0.000 1.150 316 T CB -0.480 68.486 68.868 0.163 0.000 0.864 316 T HN 0.303 nan 8.240 nan 0.000 0.427 317 T N 1.140 115.738 114.554 0.072 0.000 2.665 317 T HA -0.198 4.138 4.350 -0.024 0.000 0.268 317 T C 2.268 177.015 174.700 0.078 0.000 1.035 317 T CA 1.401 63.536 62.100 0.057 0.000 1.151 317 T CB -0.852 68.016 68.868 0.000 0.000 0.862 317 T HN 0.513 nan 8.240 nan 0.000 0.438 318 C N 1.092 120.446 119.300 0.090 0.000 2.413 318 C HA -0.064 4.382 4.460 -0.024 0.000 0.277 318 C C 2.511 177.563 174.990 0.105 0.000 1.228 318 C CA 0.546 59.649 59.018 0.141 0.000 1.731 318 C CB -1.432 26.467 27.740 0.264 0.000 2.042 318 C HN 0.371 nan 8.230 nan 0.000 0.468 319 L N 1.647 122.929 121.223 0.099 0.000 1.970 319 L HA -0.054 4.272 4.340 -0.024 0.000 0.212 319 L C 2.964 179.864 176.870 0.050 0.000 1.071 319 L CA 2.480 57.357 54.840 0.062 0.000 0.751 319 L CB -1.871 40.218 42.059 0.049 0.000 0.889 319 L HN 0.443 nan 8.230 nan 0.000 0.432 320 A N -0.721 122.146 122.820 0.078 0.000 1.958 320 A HA -0.225 4.081 4.320 -0.024 0.000 0.221 320 A C 2.376 179.987 177.584 0.045 0.000 1.178 320 A CA 1.907 53.998 52.037 0.089 0.000 0.642 320 A CB -0.763 18.325 19.000 0.146 0.000 0.816 320 A HN 0.435 nan 8.150 nan 0.000 0.453 321 L N -1.103 120.136 121.223 0.027 0.000 2.005 321 L HA -0.100 4.226 4.340 -0.024 0.000 0.207 321 L C 2.933 179.779 176.870 -0.039 0.000 1.072 321 L CA 1.130 55.954 54.840 -0.026 0.000 0.744 321 L CB -1.157 40.862 42.059 -0.066 0.000 0.895 321 L HN 0.482 nan 8.230 nan 0.000 0.433 322 G N -0.499 108.289 108.800 -0.021 0.000 2.513 322 G HA2 -0.308 3.637 3.960 -0.024 0.000 0.219 322 G HA3 -0.308 3.637 3.960 -0.024 0.000 0.219 322 G C 1.571 176.457 174.900 -0.023 0.000 1.160 322 G CA 1.601 46.687 45.100 -0.024 0.000 0.767 322 G HN 0.287 nan 8.290 nan 0.000 0.571 323 T N -0.023 114.525 114.554 -0.011 0.000 2.684 323 T HA -0.112 4.223 4.350 -0.024 0.000 0.267 323 T C 2.456 177.150 174.700 -0.011 0.000 1.036 323 T CA 1.514 63.608 62.100 -0.011 0.000 1.148 323 T CB -0.115 68.753 68.868 0.000 0.000 0.863 323 T HN 0.264 nan 8.240 nan 0.000 0.436 324 R N 0.351 120.846 120.500 -0.008 0.000 2.092 324 R HA 0.091 4.417 4.340 -0.024 0.000 0.231 324 R C 2.685 178.968 176.300 -0.028 0.000 1.119 324 R CA 1.106 57.199 56.100 -0.012 0.000 0.970 324 R CB -0.042 30.250 30.300 -0.014 0.000 0.864 324 R HN 0.242 nan 8.270 nan 0.000 0.440 325 R N -0.657 119.818 120.500 -0.043 0.000 2.081 325 R HA -0.099 4.227 4.340 -0.024 0.000 0.235 325 R C 2.038 178.315 176.300 -0.037 0.000 1.131 325 R CA 1.524 57.594 56.100 -0.050 0.000 0.960 325 R CB -0.088 30.171 30.300 -0.068 0.000 0.856 325 R HN 0.185 nan 8.270 nan 0.000 0.436 326 M N -0.461 119.119 119.600 -0.033 0.000 2.254 326 M HA -0.015 4.451 4.480 -0.024 0.000 0.265 326 M C 2.316 178.601 176.300 -0.025 0.000 1.066 326 M CA 1.133 56.414 55.300 -0.031 0.000 1.123 326 M CB -0.895 31.685 32.600 -0.033 0.000 1.388 326 M HN 0.149 nan 8.290 nan 0.000 0.425 327 A N 0.242 123.050 122.820 -0.020 0.000 1.972 327 A HA -0.174 4.132 4.320 -0.024 0.000 0.219 327 A C 2.287 179.864 177.584 -0.013 0.000 1.169 327 A CA 1.506 53.535 52.037 -0.014 0.000 0.635 327 A CB -0.557 18.439 19.000 -0.007 0.000 0.810 327 A HN 0.462 nan 8.150 nan 0.000 0.446 328 K N -0.252 120.138 120.400 -0.017 0.000 2.211 328 K HA -0.067 4.239 4.320 -0.024 0.000 0.203 328 K C 0.992 177.584 176.600 -0.013 0.000 1.050 328 K CA 1.193 57.471 56.287 -0.015 0.000 0.945 328 K CB -0.065 32.423 32.500 -0.019 0.000 0.732 328 K HN 0.414 nan 8.250 nan 0.000 0.451 329 K N 0.733 121.123 120.400 -0.017 0.000 2.469 329 K HA 0.087 4.392 4.320 -0.024 0.000 0.201 329 K C -0.231 176.359 176.600 -0.016 0.000 1.028 329 K CA -0.051 56.226 56.287 -0.017 0.000 1.170 329 K CB 0.295 32.781 32.500 -0.023 0.000 0.874 329 K HN 0.095 nan 8.250 nan 0.000 0.507 330 N N -0.096 118.597 118.700 -0.013 0.000 2.800 330 N HA -0.168 4.557 4.740 -0.024 0.000 0.250 330 N C -0.601 174.899 175.510 -0.017 0.000 1.078 330 N CA 1.148 54.191 53.050 -0.011 0.000 0.804 330 N CB -1.297 37.186 38.487 -0.006 0.000 1.135 330 N HN 0.372 nan 8.380 nan 0.000 0.565 331 A N 0.684 123.490 122.820 -0.024 0.000 2.269 331 A HA 0.631 4.936 4.320 -0.024 0.000 0.302 331 A C 0.539 178.107 177.584 -0.026 0.000 1.266 331 A CA -0.401 51.617 52.037 -0.031 0.000 0.894 331 A CB 0.324 19.298 19.000 -0.042 0.000 1.147 331 A HN 0.257 nan 8.150 nan 0.000 0.537 332 I N 3.639 124.195 120.570 -0.024 0.000 2.301 332 I HA 0.186 4.341 4.170 -0.024 0.000 0.292 332 I C -0.420 175.679 176.117 -0.030 0.000 1.046 332 I CA -0.416 60.871 61.300 -0.021 0.000 1.282 332 I CB 1.321 39.312 38.000 -0.014 0.000 1.409 332 I HN 0.270 nan 8.210 nan 0.000 0.484 333 V N 7.991 127.885 119.914 -0.033 0.000 2.406 333 V HA 0.263 4.368 4.120 -0.024 0.000 0.272 333 V C 1.230 177.288 176.094 -0.059 0.000 1.043 333 V CA -0.346 61.926 62.300 -0.047 0.000 0.915 333 V CB 1.100 32.894 31.823 -0.049 0.000 0.988 333 V HN 0.743 nan 8.190 nan 0.000 0.466 334 R N 2.261 122.720 120.500 -0.068 0.000 2.189 334 R HA 0.158 4.483 4.340 -0.024 0.000 0.203 334 R C 0.743 176.964 176.300 -0.131 0.000 1.012 334 R CA 0.214 56.264 56.100 -0.082 0.000 1.015 334 R CB 0.330 30.594 30.300 -0.061 0.000 0.938 334 R HN 0.522 nan 8.270 nan 0.000 0.472 335 S N 0.760 116.385 115.700 -0.126 0.000 2.530 335 S HA 0.213 4.669 4.470 -0.024 0.000 0.322 335 S C 0.811 175.319 174.600 -0.154 0.000 1.085 335 S CA -0.557 57.546 58.200 -0.163 0.000 1.096 335 S CB 1.044 64.171 63.200 -0.121 0.000 0.988 335 S HN 0.014 nan 8.310 nan 0.000 0.466 336 L N 6.960 128.054 121.223 -0.216 0.000 1.997 336 L HA -0.025 4.301 4.340 -0.024 0.000 0.216 336 L C -0.895 175.927 176.870 -0.080 0.000 1.074 336 L CA 2.273 57.022 54.840 -0.152 0.000 0.763 336 L CB -1.566 40.377 42.059 -0.193 0.000 0.890 336 L HN 0.509 nan 8.230 nan 0.000 0.434 337 P HA -0.117 nan 4.420 nan 0.000 0.218 337 P C 1.650 178.934 177.300 -0.027 0.000 1.146 337 P CA 1.462 64.543 63.100 -0.033 0.000 0.813 337 P CB -0.050 31.630 31.700 -0.035 0.000 0.778 338 S N -0.976 114.697 115.700 -0.046 0.000 2.481 338 S HA -0.073 4.382 4.470 -0.024 0.000 0.231 338 S C 1.874 176.454 174.600 -0.034 0.000 0.996 338 S CA 0.512 58.688 58.200 -0.040 0.000 0.942 338 S CB -1.095 62.074 63.200 -0.052 0.000 0.768 338 S HN 0.040 nan 8.310 nan 0.000 0.520 339 V N 1.870 121.765 119.914 -0.031 0.000 2.913 339 V HA -0.091 4.014 4.120 -0.024 0.000 0.260 339 V C 2.287 178.374 176.094 -0.012 0.000 1.098 339 V CA 1.721 64.006 62.300 -0.025 0.000 1.121 339 V CB -0.194 31.616 31.823 -0.021 0.000 0.714 339 V HN 0.494 nan 8.190 nan 0.000 0.487 340 E N -0.143 120.058 120.200 0.001 0.000 2.340 340 E HA -0.101 4.235 4.350 -0.024 0.000 0.198 340 E C 2.163 178.769 176.600 0.009 0.000 0.961 340 E CA 1.196 57.609 56.400 0.022 0.000 0.905 340 E CB 0.019 29.752 29.700 0.055 0.000 0.884 340 E HN 0.748 nan 8.360 nan 0.000 0.491 341 T N -0.210 114.341 114.554 -0.005 0.000 2.833 341 T HA -0.079 4.256 4.350 -0.024 0.000 0.269 341 T C 2.188 176.868 174.700 -0.034 0.000 1.054 341 T CA 0.841 62.931 62.100 -0.016 0.000 1.135 341 T CB -0.464 68.393 68.868 -0.018 0.000 0.869 341 T HN 0.144 nan 8.240 nan 0.000 0.466 342 L N 0.956 122.156 121.223 -0.038 0.000 2.127 342 L HA 0.027 4.353 4.340 -0.024 0.000 0.211 342 L C 3.077 179.916 176.870 -0.052 0.000 1.089 342 L CA 1.183 55.995 54.840 -0.048 0.000 0.757 342 L CB -1.084 40.941 42.059 -0.055 0.000 0.899 342 L HN 0.541 nan 8.230 nan 0.000 0.434 343 G N 0.015 108.788 108.800 -0.045 0.000 2.556 343 G HA2 -0.350 3.596 3.960 -0.024 0.000 0.220 343 G HA3 -0.350 3.596 3.960 -0.024 0.000 0.220 343 G C 1.239 176.076 174.900 -0.105 0.000 1.156 343 G CA 1.186 46.252 45.100 -0.057 0.000 0.766 343 G HN 0.643 nan 8.290 nan 0.000 0.583 344 C N -0.012 119.216 119.300 -0.121 0.000 2.668 344 C HA 0.530 4.975 4.460 -0.024 0.000 0.301 344 C C 0.810 175.746 174.990 -0.091 0.000 1.351 344 C CA -1.124 57.804 59.018 -0.150 0.000 1.757 344 C CB -1.307 26.307 27.740 -0.211 0.000 2.179 344 C HN 0.103 nan 8.230 nan 0.000 0.586 345 T N 2.119 116.633 114.554 -0.067 0.000 2.919 345 T HA 0.314 4.649 4.350 -0.024 0.000 0.302 345 T C 1.192 175.867 174.700 -0.041 0.000 1.031 345 T CA 0.877 62.949 62.100 -0.047 0.000 1.127 345 T CB 1.213 70.056 68.868 -0.042 0.000 0.952 345 T HN 0.723 nan 8.240 nan 0.000 0.540 346 S N 0.795 116.479 115.700 -0.027 0.000 2.559 346 S HA 0.304 4.760 4.470 -0.024 0.000 0.226 346 S C 0.122 174.716 174.600 -0.009 0.000 1.030 346 S CA -0.402 57.785 58.200 -0.022 0.000 0.956 346 S CB 0.417 63.605 63.200 -0.020 0.000 0.900 346 S HN 0.395 nan 8.310 nan 0.000 0.510 347 V N 2.326 122.239 119.914 -0.003 0.000 2.569 347 V HA 0.522 4.628 4.120 -0.024 0.000 0.301 347 V C -1.032 175.067 176.094 0.008 0.000 1.044 347 V CA -0.701 61.605 62.300 0.009 0.000 0.874 347 V CB 1.653 33.489 31.823 0.023 0.000 1.002 347 V HN 0.387 nan 8.190 nan 0.000 0.424 348 I N 3.974 124.552 120.570 0.013 0.000 2.330 348 I HA 0.324 4.479 4.170 -0.024 0.000 0.286 348 I C 0.106 176.246 176.117 0.038 0.000 1.025 348 I CA -0.086 61.225 61.300 0.018 0.000 1.197 348 I CB 0.938 38.950 38.000 0.019 0.000 1.358 348 I HN 0.560 nan 8.210 nan 0.000 0.467 349 C N 4.073 123.391 119.300 0.031 0.000 2.601 349 C HA 0.471 4.916 4.460 -0.024 0.000 0.409 349 C C 0.808 175.830 174.990 0.054 0.000 1.293 349 C CA -0.069 58.972 59.018 0.037 0.000 2.101 349 C CB 0.500 28.248 27.740 0.014 0.000 2.639 349 C HN 0.781 nan 8.230 nan 0.000 0.592 350 S N 0.853 116.590 115.700 0.061 0.000 2.546 350 S HA 0.336 4.792 4.470 -0.024 0.000 0.272 350 S C -1.090 173.537 174.600 0.045 0.000 1.140 350 S CA -0.529 57.720 58.200 0.082 0.000 0.920 350 S CB 1.106 64.397 63.200 0.152 0.000 1.083 350 S HN 0.864 nan 8.310 nan 0.000 0.476 351 D N 2.560 122.986 120.400 0.043 0.000 2.400 351 D HA 0.202 4.827 4.640 -0.024 0.000 0.238 351 D C 0.959 177.259 176.300 -0.001 0.000 1.157 351 D CA 0.301 54.313 54.000 0.019 0.000 0.889 351 D CB 0.878 41.690 40.800 0.020 0.000 1.199 351 D HN 0.557 nan 8.370 nan 0.000 0.436 352 K N 0.882 121.271 120.400 -0.018 0.000 2.065 352 K HA 0.039 4.345 4.320 -0.024 0.000 0.211 352 K C 0.111 176.685 176.600 -0.043 0.000 1.025 352 K CA 0.277 56.536 56.287 -0.047 0.000 0.948 352 K CB -0.318 32.155 32.500 -0.044 0.000 0.798 352 K HN 0.454 nan 8.250 nan 0.000 0.450 353 T N 0.831 115.369 114.554 -0.028 0.000 2.792 353 T HA 0.198 4.534 4.350 -0.024 0.000 0.286 353 T C 0.696 175.387 174.700 -0.014 0.000 0.970 353 T CA 0.796 62.882 62.100 -0.024 0.000 1.187 353 T CB 0.412 69.272 68.868 -0.013 0.000 0.915 353 T HN 0.719 nan 8.240 nan 0.000 0.529 354 G N 3.552 112.340 108.800 -0.019 0.000 2.284 354 G HA2 -0.325 3.621 3.960 -0.024 0.000 0.247 354 G HA3 -0.325 3.621 3.960 -0.024 0.000 0.247 354 G C 0.994 175.899 174.900 0.008 0.000 1.012 354 G CA 0.617 45.715 45.100 -0.003 0.000 0.618 354 G HN 0.683 nan 8.290 nan 0.000 0.521 355 T N 0.385 114.942 114.554 0.005 0.000 3.252 355 T HA 0.310 4.646 4.350 -0.024 0.000 0.233 355 T C 2.064 176.744 174.700 -0.034 0.000 0.975 355 T CA 1.104 63.233 62.100 0.047 0.000 1.318 355 T CB -0.219 68.695 68.868 0.076 0.000 1.014 355 T HN 0.059 nan 8.240 nan 0.000 0.418 356 L N 1.909 123.042 121.223 -0.150 0.000 2.141 356 L HA 0.146 4.472 4.340 -0.024 0.000 0.209 356 L C 1.656 178.392 176.870 -0.223 0.000 1.094 356 L CA 1.299 55.935 54.840 -0.341 0.000 0.763 356 L CB -1.240 40.639 42.059 -0.300 0.000 0.908 356 L HN 0.513 nan 8.230 nan 0.000 0.437 357 T N -5.563 108.913 114.554 -0.131 0.000 2.937 357 T HA 0.320 4.656 4.350 -0.024 0.000 0.283 357 T C 1.206 175.860 174.700 -0.076 0.000 1.012 357 T CA 0.135 62.173 62.100 -0.103 0.000 0.997 357 T CB 1.301 70.118 68.868 -0.086 0.000 1.136 357 T HN 0.181 nan 8.240 nan 0.000 0.551 358 T N -1.775 112.730 114.554 -0.083 0.000 3.067 358 T HA 0.089 4.425 4.350 -0.024 0.000 0.257 358 T C 1.047 175.699 174.700 -0.081 0.000 1.105 358 T CA 0.654 62.706 62.100 -0.079 0.000 1.104 358 T CB -0.708 68.094 68.868 -0.109 0.000 0.925 358 T HN 0.862 nan 8.240 nan 0.000 0.498 359 N N 1.632 120.283 118.700 -0.082 0.000 2.747 359 N HA -0.170 4.556 4.740 -0.024 0.000 0.249 359 N C -1.084 174.365 175.510 -0.101 0.000 1.107 359 N CA 0.632 53.649 53.050 -0.055 0.000 0.707 359 N CB -1.577 36.904 38.487 -0.010 0.000 1.054 359 N HN 0.788 nan 8.380 nan 0.000 0.555 360 Q N 0.054 119.699 119.800 -0.259 0.000 2.337 360 Q HA 0.276 4.602 4.340 -0.024 0.000 0.264 360 Q C -0.344 175.346 176.000 -0.517 0.000 1.007 360 Q CA -0.845 54.537 55.803 -0.701 0.000 0.727 360 Q CB 1.440 29.578 28.738 -1.000 0.000 1.256 360 Q HN 0.351 nan 8.270 nan 0.000 0.467 361 M N 2.365 121.827 119.600 -0.229 0.000 2.252 361 M HA 0.088 4.554 4.480 -0.024 0.000 0.348 361 M C -0.918 175.350 176.300 -0.054 0.000 1.334 361 M CA 0.811 56.090 55.300 -0.036 0.000 1.071 361 M CB 0.482 33.149 32.600 0.113 0.000 1.763 361 M HN 0.413 nan 8.290 nan 0.000 0.452 362 S N 3.893 119.556 115.700 -0.063 0.000 2.532 362 S HA 0.581 5.037 4.470 -0.024 0.000 0.299 362 S C -0.992 173.589 174.600 -0.031 0.000 1.105 362 S CA -1.020 57.150 58.200 -0.051 0.000 1.018 362 S CB 1.587 64.732 63.200 -0.090 0.000 1.021 362 S HN 0.545 nan 8.310 nan 0.000 0.483 363 V N 2.864 122.768 119.914 -0.017 0.000 2.439 363 V HA 0.066 4.171 4.120 -0.024 0.000 0.271 363 V C 1.212 177.275 176.094 -0.051 0.000 1.040 363 V CA -0.211 62.074 62.300 -0.026 0.000 1.002 363 V CB 0.004 31.817 31.823 -0.016 0.000 1.000 363 V HN 1.228 nan 8.190 nan 0.000 0.477 364 C N 2.921 122.173 119.300 -0.081 0.000 3.230 364 C HA 0.482 4.927 4.460 -0.024 0.000 0.300 364 C C 0.579 175.476 174.990 -0.157 0.000 1.292 364 C CA -0.552 58.401 59.018 -0.108 0.000 1.707 364 C CB -0.789 26.880 27.740 -0.118 0.000 2.181 364 C HN 0.739 nan 8.230 nan 0.000 0.655 365 K N 1.421 121.699 120.400 -0.203 0.000 2.502 365 K HA 0.736 5.041 4.320 -0.024 0.000 0.257 365 K C -0.957 175.618 176.600 -0.041 0.000 0.938 365 K CA -0.321 55.790 56.287 -0.294 0.000 0.819 365 K CB 2.331 34.262 32.500 -0.950 0.000 1.333 365 K HN 0.565 nan 8.250 nan 0.000 0.434 366 M N 0.631 120.359 119.600 0.214 0.000 2.644 366 M HA 0.682 5.148 4.480 -0.024 0.000 0.273 366 M C -1.752 174.929 176.300 0.635 0.000 1.253 366 M CA -0.899 54.628 55.300 0.378 0.000 0.852 366 M CB 2.193 34.870 32.600 0.128 0.000 1.708 366 M HN 0.670 nan 8.290 nan 0.000 0.471 367 F N 0.999 121.175 119.950 0.377 0.000 2.686 367 F HA 0.911 5.424 4.527 -0.024 0.000 0.311 367 F C -1.976 173.930 175.800 0.177 0.000 1.128 367 F CA -1.046 57.128 58.000 0.290 0.000 0.946 367 F CB 1.486 40.599 39.000 0.190 0.000 1.336 367 F HN 0.887 nan 8.300 nan 0.000 0.457 368 I N 0.108 121.038 120.570 0.600 0.000 3.102 368 I HA 0.540 4.696 4.170 -0.024 0.000 0.310 368 I C -1.262 175.106 176.117 0.417 0.000 1.246 368 I CA -1.387 60.148 61.300 0.392 0.000 0.979 368 I CB 2.195 40.320 38.000 0.207 0.000 1.267 368 I HN 0.578 nan 8.210 nan 0.000 0.451 369 I N 2.655 123.427 120.570 0.337 0.000 2.648 369 I HA 0.043 4.199 4.170 -0.024 0.000 0.284 369 I C 0.536 176.748 176.117 0.159 0.000 1.153 369 I CA 0.613 62.044 61.300 0.217 0.000 1.426 369 I CB 0.455 38.573 38.000 0.198 0.000 1.381 369 I HN 0.843 nan 8.210 nan 0.000 0.571 370 D N 5.633 126.091 120.400 0.096 0.000 2.584 370 D HA 0.079 4.704 4.640 -0.024 0.000 0.254 370 D C 0.086 176.451 176.300 0.108 0.000 1.085 370 D CA 1.258 55.325 54.000 0.111 0.000 0.971 370 D CB 0.617 41.464 40.800 0.079 0.000 1.103 370 D HN 0.508 nan 8.370 nan 0.000 0.453 371 K N -0.434 120.011 120.400 0.076 0.000 2.426 371 K HA 0.645 4.950 4.320 -0.024 0.000 0.251 371 K C -1.437 175.187 176.600 0.041 0.000 0.941 371 K CA -0.933 55.425 56.287 0.117 0.000 0.808 371 K CB 3.507 36.162 32.500 0.259 0.000 1.265 371 K HN -0.175 nan 8.250 nan 0.000 0.432 372 V N 1.405 121.371 119.914 0.087 0.000 2.588 372 V HA 0.373 4.479 4.120 -0.024 0.000 0.304 372 V C -1.324 174.853 176.094 0.138 0.000 1.042 372 V CA -0.581 61.756 62.300 0.063 0.000 0.877 372 V CB 1.792 33.642 31.823 0.046 0.000 0.996 372 V HN 0.802 nan 8.190 nan 0.000 0.425 373 D N 3.194 123.706 120.400 0.185 0.000 2.337 373 D HA 0.507 5.133 4.640 -0.024 0.000 0.238 373 D C 0.589 176.974 176.300 0.142 0.000 1.331 373 D CA 0.893 54.995 54.000 0.170 0.000 0.967 373 D CB 1.218 42.138 40.800 0.200 0.000 1.382 373 D HN 0.850 nan 8.370 nan 0.000 0.549 374 G N 4.048 112.899 108.800 0.085 0.000 2.629 374 G HA2 -0.410 3.535 3.960 -0.024 0.000 0.313 374 G HA3 -0.410 3.535 3.960 -0.024 0.000 0.313 374 G C 0.955 175.891 174.900 0.060 0.000 1.217 374 G CA 0.651 45.788 45.100 0.062 0.000 0.994 374 G HN 0.492 nan 8.290 nan 0.000 0.549 375 D N 0.259 120.701 120.400 0.069 0.000 2.264 375 D HA 0.079 4.705 4.640 -0.024 0.000 0.208 375 D C 1.116 177.467 176.300 0.084 0.000 0.966 375 D CA 0.827 54.861 54.000 0.058 0.000 0.864 375 D CB -0.089 40.743 40.800 0.054 0.000 0.933 375 D HN 0.219 nan 8.370 nan 0.000 0.499 376 F N 1.184 121.123 119.950 -0.018 0.000 2.424 376 F HA 0.274 4.787 4.527 -0.024 0.000 0.356 376 F C -0.439 175.349 175.800 -0.021 0.000 1.110 376 F CA -1.024 56.963 58.000 -0.022 0.000 1.161 376 F CB 0.678 39.669 39.000 -0.015 0.000 1.115 376 F HN -0.177 nan 8.300 nan 0.000 0.507 377 C N 7.030 125.909 119.300 -0.702 0.000 2.397 377 C HA 0.797 5.243 4.460 -0.024 0.000 0.325 377 C C -0.690 173.807 174.990 -0.823 0.000 1.201 377 C CA -0.134 58.512 59.018 -0.621 0.000 1.377 377 C CB -0.182 27.370 27.740 -0.312 0.000 2.038 377 C HN 0.987 nan 8.230 nan 0.000 0.457 378 S N 6.314 121.581 115.700 -0.722 0.000 2.566 378 S HA 0.854 5.310 4.470 -0.024 0.000 0.298 378 S C -1.000 173.459 174.600 -0.235 0.000 1.083 378 S CA -0.735 57.180 58.200 -0.474 0.000 0.978 378 S CB 1.214 64.219 63.200 -0.326 0.000 1.073 378 S HN 0.795 nan 8.310 nan 0.000 0.491 379 L N 1.532 122.622 121.223 -0.222 0.000 2.334 379 L HA 0.566 4.892 4.340 -0.024 0.000 0.270 379 L C -0.252 176.565 176.870 -0.089 0.000 1.018 379 L CA -1.081 53.657 54.840 -0.170 0.000 0.811 379 L CB 1.164 42.956 42.059 -0.444 0.000 1.271 379 L HN 0.632 nan 8.230 nan 0.000 0.443 380 N N 1.731 120.430 118.700 -0.002 0.000 2.527 380 N HA 0.240 4.966 4.740 -0.024 0.000 0.236 380 N C -0.921 174.486 175.510 -0.172 0.000 0.999 380 N CA -0.237 52.735 53.050 -0.129 0.000 0.935 380 N CB 1.127 39.607 38.487 -0.012 0.000 1.132 380 N HN 0.571 nan 8.380 nan 0.000 0.511 381 E N 1.548 121.573 120.200 -0.291 0.000 2.242 381 E HA 0.450 4.785 4.350 -0.024 0.000 0.275 381 E C -0.665 175.657 176.600 -0.463 0.000 1.002 381 E CA -0.331 56.033 56.400 -0.060 0.000 0.841 381 E CB 1.351 31.122 29.700 0.118 0.000 1.109 381 E HN 0.296 nan 8.360 nan 0.000 0.394 382 F N 0.186 120.195 119.950 0.097 0.000 2.603 382 F HA 0.353 4.866 4.527 -0.024 0.000 0.317 382 F C 0.229 176.013 175.800 -0.027 0.000 1.066 382 F CA -0.812 57.183 58.000 -0.010 0.000 0.941 382 F CB 1.954 40.912 39.000 -0.069 0.000 1.291 382 F HN 0.379 nan 8.300 nan 0.000 0.472 383 S N 0.752 116.529 115.700 0.128 0.000 2.648 383 S HA 0.926 5.382 4.470 -0.024 0.000 0.305 383 S C -1.192 173.426 174.600 0.031 0.000 1.094 383 S CA -0.657 57.554 58.200 0.020 0.000 0.983 383 S CB 2.102 65.279 63.200 -0.038 0.000 1.101 383 S HN 0.392 nan 8.310 nan 0.000 0.514 384 I N 1.495 122.054 120.570 -0.018 0.000 2.569 384 I HA 0.431 4.587 4.170 -0.024 0.000 0.290 384 I C 0.324 176.419 176.117 -0.037 0.000 1.088 384 I CA -0.290 60.996 61.300 -0.023 0.000 1.047 384 I CB 2.443 40.422 38.000 -0.034 0.000 1.237 384 I HN 0.958 nan 8.210 nan 0.000 0.421 385 T N 1.571 116.107 114.554 -0.030 0.000 2.912 385 T HA 0.920 5.256 4.350 -0.024 0.000 0.280 385 T C 0.151 174.827 174.700 -0.039 0.000 0.989 385 T CA -0.406 61.673 62.100 -0.035 0.000 0.995 385 T CB 1.660 70.513 68.868 -0.025 0.000 1.077 385 T HN 1.425 nan 8.240 nan 0.000 0.531 386 G N -0.092 108.683 108.800 -0.042 0.000 3.187 386 G HA2 0.161 4.107 3.960 -0.024 0.000 0.682 386 G HA3 0.161 4.107 3.960 -0.024 0.000 0.682 386 G C -0.062 174.801 174.900 -0.063 0.000 1.266 386 G CA -0.272 44.801 45.100 -0.045 0.000 0.902 386 G HN 0.798 nan 8.290 nan 0.000 0.589 387 S N 0.001 115.659 115.700 -0.068 0.000 2.554 387 S HA 0.431 4.886 4.470 -0.024 0.000 0.226 387 S C 1.215 175.732 174.600 -0.138 0.000 0.980 387 S CA 0.890 59.033 58.200 -0.096 0.000 0.939 387 S CB 0.351 63.503 63.200 -0.080 0.000 0.832 387 S HN 1.568 nan 8.310 nan 0.000 0.486 388 T N -2.155 112.328 114.554 -0.119 0.000 2.858 388 T HA 0.502 4.837 4.350 -0.024 0.000 0.285 388 T C 0.223 174.843 174.700 -0.132 0.000 1.052 388 T CA -0.590 61.414 62.100 -0.159 0.000 1.009 388 T CB 0.489 69.338 68.868 -0.033 0.000 1.241 388 T HN -0.046 nan 8.240 nan 0.000 0.542 389 Y N 0.576 120.889 120.300 0.022 0.000 2.571 389 Y HA 0.446 4.981 4.550 -0.024 0.000 0.294 389 Y C 1.873 177.741 175.900 -0.054 0.000 1.141 389 Y CA -0.289 57.816 58.100 0.007 0.000 1.308 389 Y CB -1.044 37.448 38.460 0.053 0.000 1.002 389 Y HN 0.857 nan 8.280 nan 0.000 0.551 390 A N 1.815 124.684 122.820 0.081 0.000 2.511 390 A HA 0.201 4.506 4.320 -0.024 0.000 0.242 390 A C -1.900 175.520 177.584 -0.273 0.000 1.069 390 A CA -1.123 50.789 52.037 -0.208 0.000 0.763 390 A CB -0.186 18.852 19.000 0.063 0.000 1.001 390 A HN 0.045 nan 8.150 nan 0.000 0.498 391 P HA 0.163 nan 4.420 nan 0.000 0.238 391 P C -0.696 176.507 177.300 -0.162 0.000 1.714 391 P CA 0.471 63.417 63.100 -0.257 0.000 0.908 391 P CB -0.409 31.125 31.700 -0.276 0.000 1.893 392 E N 0.561 120.696 120.200 -0.110 0.000 2.187 392 E HA 0.696 5.032 4.350 -0.024 0.000 0.268 392 E C 0.327 176.904 176.600 -0.039 0.000 0.896 392 E CA -0.706 55.663 56.400 -0.051 0.000 0.766 392 E CB 1.716 31.409 29.700 -0.012 0.000 1.142 392 E HN 0.237 nan 8.360 nan 0.000 0.408 393 G N 2.080 110.861 108.800 -0.030 0.000 2.339 393 G HA2 0.111 4.057 3.960 -0.024 0.000 0.381 393 G HA3 0.111 4.057 3.960 -0.024 0.000 0.381 393 G C -1.555 173.330 174.900 -0.024 0.000 1.400 393 G CA -0.946 44.138 45.100 -0.027 0.000 1.002 393 G HN 0.515 nan 8.290 nan 0.000 0.633 394 E N -1.412 118.778 120.200 -0.017 0.000 2.416 394 E HA 0.694 5.030 4.350 -0.024 0.000 0.273 394 E C -1.112 175.485 176.600 -0.004 0.000 0.935 394 E CA -1.145 55.249 56.400 -0.010 0.000 0.784 394 E CB 2.581 32.282 29.700 0.002 0.000 1.301 394 E HN 0.479 nan 8.360 nan 0.000 0.454 395 V N 2.129 122.044 119.914 0.002 0.000 2.406 395 V HA 0.258 4.363 4.120 -0.024 0.000 0.272 395 V C -0.161 175.985 176.094 0.087 0.000 1.043 395 V CA -0.470 61.843 62.300 0.021 0.000 0.915 395 V CB 0.497 32.295 31.823 -0.041 0.000 0.988 395 V HN 0.461 nan 8.190 nan 0.000 0.466 396 L N 5.275 126.566 121.223 0.113 0.000 2.317 396 L HA 0.632 4.958 4.340 -0.024 0.000 0.281 396 L C 0.029 176.990 176.870 0.152 0.000 1.024 396 L CA -0.718 54.189 54.840 0.112 0.000 0.810 396 L CB 1.688 43.777 42.059 0.050 0.000 1.240 396 L HN 0.380 nan 8.230 nan 0.000 0.427 397 K N 3.746 124.214 120.400 0.114 0.000 2.367 397 K HA 0.255 4.561 4.320 -0.024 0.000 0.263 397 K C -0.608 175.981 176.600 -0.018 0.000 1.000 397 K CA -0.383 55.888 56.287 -0.026 0.000 0.891 397 K CB 0.774 33.279 32.500 0.009 0.000 1.117 397 K HN 0.604 nan 8.250 nan 0.000 0.443 398 N N 3.593 122.264 118.700 -0.048 0.000 2.746 398 N HA -0.182 4.544 4.740 -0.024 0.000 0.250 398 N C -0.881 174.626 175.510 -0.004 0.000 1.055 398 N CA 1.037 54.073 53.050 -0.024 0.000 0.699 398 N CB -0.843 37.635 38.487 -0.015 0.000 0.919 398 N HN 0.733 nan 8.380 nan 0.000 0.548 399 D N -1.815 118.584 120.400 -0.003 0.000 2.955 399 D HA -0.215 4.411 4.640 -0.024 0.000 0.226 399 D C -0.139 176.170 176.300 0.016 0.000 1.178 399 D CA 1.458 55.459 54.000 0.003 0.000 0.808 399 D CB -0.631 40.166 40.800 -0.003 0.000 1.099 399 D HN 0.658 nan 8.370 nan 0.000 0.421 400 K N -0.096 120.321 120.400 0.029 0.000 2.378 400 K HA 0.440 4.745 4.320 -0.024 0.000 0.252 400 K C -2.696 173.943 176.600 0.065 0.000 0.931 400 K CA -1.868 54.444 56.287 0.040 0.000 0.794 400 K CB 2.523 35.047 32.500 0.039 0.000 1.181 400 K HN -0.212 nan 8.250 nan 0.000 0.425 401 P HA 0.018 nan 4.420 nan 0.000 0.267 401 P C -0.765 176.596 177.300 0.102 0.000 1.205 401 P CA -0.170 62.972 63.100 0.070 0.000 0.765 401 P CB 0.240 31.968 31.700 0.046 0.000 0.828 402 I N -0.253 120.401 120.570 0.140 0.000 3.170 402 I HA 0.629 4.784 4.170 -0.024 0.000 0.312 402 I C -0.317 175.887 176.117 0.144 0.000 1.085 402 I CA -1.403 60.015 61.300 0.197 0.000 0.999 402 I CB 1.760 39.991 38.000 0.385 0.000 1.233 402 I HN 0.017 nan 8.210 nan 0.000 0.467 403 R N 1.576 122.167 120.500 0.151 0.000 2.215 403 R HA 0.383 4.708 4.340 -0.024 0.000 0.337 403 R C 0.598 176.967 176.300 0.115 0.000 1.010 403 R CA -0.319 55.828 56.100 0.079 0.000 0.871 403 R CB 1.330 31.648 30.300 0.030 0.000 1.134 403 R HN 0.870 nan 8.270 nan 0.000 0.477 404 S N 1.967 117.687 115.700 0.034 0.000 2.380 404 S HA -0.194 4.262 4.470 -0.024 0.000 0.229 404 S C 1.949 176.562 174.600 0.023 0.000 1.043 404 S CA 1.782 59.974 58.200 -0.014 0.000 1.038 404 S CB -0.109 62.993 63.200 -0.164 0.000 0.872 404 S HN 0.917 nan 8.310 nan 0.000 0.456 405 G N 1.219 109.977 108.800 -0.069 0.000 2.527 405 G HA2 -0.198 3.747 3.960 -0.024 0.000 0.219 405 G HA3 -0.198 3.747 3.960 -0.024 0.000 0.219 405 G C 1.245 176.086 174.900 -0.099 0.000 1.117 405 G CA 0.425 45.443 45.100 -0.136 0.000 0.759 405 G HN 0.476 nan 8.290 nan 0.000 0.556 406 Q N -0.599 119.148 119.800 -0.088 0.000 2.378 406 Q HA 0.067 4.393 4.340 -0.024 0.000 0.205 406 Q C -0.130 175.623 176.000 -0.413 0.000 0.954 406 Q CA 0.421 56.056 55.803 -0.281 0.000 0.901 406 Q CB 0.213 28.688 28.738 -0.439 0.000 0.981 406 Q HN 0.579 nan 8.270 nan 0.000 0.483 407 F N 1.480 121.403 119.950 -0.045 0.000 2.347 407 F HA 0.222 4.735 4.527 -0.024 0.000 0.366 407 F C 0.963 176.726 175.800 -0.061 0.000 1.107 407 F CA -0.900 57.090 58.000 -0.017 0.000 1.058 407 F CB 1.098 40.111 39.000 0.022 0.000 1.236 407 F HN -0.192 nan 8.300 nan 0.000 0.456 408 D N 2.671 123.125 120.400 0.091 0.000 2.149 408 D HA -0.201 4.424 4.640 -0.024 0.000 0.194 408 D C 2.277 178.592 176.300 0.026 0.000 1.001 408 D CA 1.761 55.781 54.000 0.034 0.000 0.849 408 D CB -0.259 40.563 40.800 0.038 0.000 0.939 408 D HN 0.796 nan 8.370 nan 0.000 0.449 409 G N 0.890 109.734 108.800 0.074 0.000 2.442 409 G HA2 -0.203 3.742 3.960 -0.024 0.000 0.219 409 G HA3 -0.203 3.742 3.960 -0.024 0.000 0.219 409 G C 1.834 176.708 174.900 -0.043 0.000 1.141 409 G CA 0.214 45.334 45.100 0.032 0.000 0.763 409 G HN 0.255 nan 8.290 nan 0.000 0.554 410 L N 0.283 121.473 121.223 -0.055 0.000 2.093 410 L HA -0.083 4.242 4.340 -0.024 0.000 0.208 410 L C 3.005 179.762 176.870 -0.189 0.000 1.085 410 L CA 0.411 55.147 54.840 -0.173 0.000 0.755 410 L CB -0.428 41.475 42.059 -0.260 0.000 0.904 410 L HN 0.107 nan 8.230 nan 0.000 0.435 411 V N -0.000 119.810 119.914 -0.174 0.000 2.287 411 V HA -0.337 3.768 4.120 -0.024 0.000 0.248 411 V C 2.443 178.417 176.094 -0.201 0.000 1.053 411 V CA 2.169 64.316 62.300 -0.256 0.000 1.027 411 V CB -0.486 31.191 31.823 -0.243 0.000 0.646 411 V HN 0.501 nan 8.190 nan 0.000 0.447 412 E N -0.212 119.900 120.200 -0.146 0.000 2.072 412 E HA -0.223 4.113 4.350 -0.024 0.000 0.191 412 E C 2.252 178.712 176.600 -0.233 0.000 0.985 412 E CA 1.292 57.592 56.400 -0.167 0.000 0.801 412 E CB -0.107 29.536 29.700 -0.096 0.000 0.750 412 E HN 0.571 nan 8.360 nan 0.000 0.452 413 L N 0.321 121.424 121.223 -0.200 0.000 2.046 413 L HA -0.168 4.157 4.340 -0.024 0.000 0.208 413 L C 2.384 179.127 176.870 -0.213 0.000 1.077 413 L CA 1.683 56.397 54.840 -0.210 0.000 0.747 413 L CB -0.302 41.642 42.059 -0.191 0.000 0.896 413 L HN 0.175 nan 8.230 nan 0.000 0.432 414 A N -1.078 121.617 122.820 -0.209 0.000 1.933 414 A HA -0.194 4.111 4.320 -0.024 0.000 0.218 414 A C 2.229 179.696 177.584 -0.196 0.000 1.175 414 A CA 2.222 54.147 52.037 -0.186 0.000 0.628 414 A CB -1.034 17.851 19.000 -0.192 0.000 0.814 414 A HN 0.517 nan 8.150 nan 0.000 0.444 415 T N 0.355 114.757 114.554 -0.253 0.000 2.777 415 T HA -0.069 4.267 4.350 -0.024 0.000 0.266 415 T C 1.785 176.182 174.700 -0.506 0.000 1.040 415 T CA 1.481 63.376 62.100 -0.342 0.000 1.141 415 T CB -0.394 68.224 68.868 -0.417 0.000 0.868 415 T HN 0.448 nan 8.240 nan 0.000 0.444 416 I N 0.721 120.969 120.570 -0.537 0.000 2.226 416 I HA -0.188 3.968 4.170 -0.024 0.000 0.245 416 I C 2.602 178.599 176.117 -0.200 0.000 1.100 416 I CA 0.825 61.873 61.300 -0.420 0.000 1.374 416 I CB -0.523 37.324 38.000 -0.255 0.000 1.057 416 I HN 0.324 nan 8.210 nan 0.000 0.413 417 C N 0.790 119.989 119.300 -0.169 0.000 2.422 417 C HA -0.092 4.354 4.460 -0.024 0.000 0.279 417 C C 3.163 178.105 174.990 -0.079 0.000 1.305 417 C CA 0.973 59.931 59.018 -0.102 0.000 1.757 417 C CB -1.164 26.517 27.740 -0.098 0.000 1.962 417 C HN 0.598 nan 8.230 nan 0.000 0.499 418 A N -0.211 122.550 122.820 -0.100 0.000 1.930 418 A HA 0.056 4.362 4.320 -0.024 0.000 0.215 418 A C 2.064 179.623 177.584 -0.042 0.000 1.176 418 A CA 1.207 53.206 52.037 -0.063 0.000 0.632 418 A CB -0.331 18.635 19.000 -0.057 0.000 0.819 418 A HN 0.587 nan 8.150 nan 0.000 0.445 419 L N -1.716 119.474 121.223 -0.055 0.000 2.316 419 L HA 0.075 4.400 4.340 -0.024 0.000 0.207 419 L C 1.187 178.080 176.870 0.039 0.000 1.070 419 L CA 0.081 54.923 54.840 0.004 0.000 0.820 419 L CB -0.056 42.026 42.059 0.038 0.000 0.992 419 L HN 0.391 nan 8.230 nan 0.000 0.466 420 C N 2.844 122.165 119.300 0.034 0.000 2.400 420 C HA 0.395 4.840 4.460 -0.024 0.000 0.457 420 C C 0.062 175.075 174.990 0.038 0.000 1.020 420 C CA -0.268 58.786 59.018 0.059 0.000 1.258 420 C CB -2.216 25.570 27.740 0.076 0.000 1.532 420 C HN 0.425 nan 8.230 nan 0.000 0.537 421 N N 2.355 121.077 118.700 0.037 0.000 2.846 421 N HA 0.174 4.899 4.740 -0.024 0.000 0.248 421 N C -0.982 174.543 175.510 0.025 0.000 1.097 421 N CA -0.214 52.850 53.050 0.023 0.000 1.013 421 N CB 1.390 39.879 38.487 0.003 0.000 1.686 421 N HN 0.452 nan 8.380 nan 0.000 0.520 422 D N 0.483 120.896 120.400 0.022 0.000 2.479 422 D HA 0.264 4.890 4.640 -0.024 0.000 0.218 422 D C -0.307 175.996 176.300 0.007 0.000 1.177 422 D CA 0.303 54.317 54.000 0.023 0.000 0.830 422 D CB 0.651 41.471 40.800 0.033 0.000 1.014 422 D HN 0.336 nan 8.370 nan 0.000 0.503 423 S N -0.562 115.134 115.700 -0.007 0.000 2.759 423 S HA 0.798 5.254 4.470 -0.024 0.000 0.310 423 S C 0.172 174.756 174.600 -0.027 0.000 1.123 423 S CA -0.567 57.617 58.200 -0.025 0.000 0.959 423 S CB 2.220 65.392 63.200 -0.047 0.000 1.172 423 S HN 0.198 nan 8.310 nan 0.000 0.539 424 S N -0.529 115.147 115.700 -0.040 0.000 2.800 424 S HA 0.769 5.225 4.470 -0.024 0.000 0.293 424 S C -1.867 172.705 174.600 -0.047 0.000 1.209 424 S CA -0.661 57.521 58.200 -0.030 0.000 0.884 424 S CB 0.523 63.720 63.200 -0.005 0.000 1.244 424 S HN 0.404 nan 8.310 nan 0.000 0.540 425 L N 1.266 122.486 121.223 -0.006 0.000 2.333 425 L HA 0.867 5.192 4.340 -0.024 0.000 0.269 425 L C -1.451 175.475 176.870 0.094 0.000 1.010 425 L CA 0.015 54.873 54.840 0.030 0.000 0.818 425 L CB 1.733 43.826 42.059 0.058 0.000 1.306 425 L HN 1.061 nan 8.230 nan 0.000 0.430 426 D N 1.096 121.582 120.400 0.143 0.000 2.990 426 D HA 0.275 4.901 4.640 -0.024 0.000 0.227 426 D C -1.635 174.779 176.300 0.191 0.000 1.249 426 D CA -0.351 53.736 54.000 0.146 0.000 0.891 426 D CB 1.034 41.867 40.800 0.056 0.000 1.647 426 D HN 0.221 nan 8.370 nan 0.000 0.530 427 F N 3.640 123.596 119.950 0.010 0.000 2.410 427 F HA 0.416 4.929 4.527 -0.024 0.000 0.348 427 F C -0.037 175.684 175.800 -0.132 0.000 1.106 427 F CA -0.610 57.270 58.000 -0.201 0.000 1.163 427 F CB 0.945 39.725 39.000 -0.366 0.000 1.129 427 F HN 0.330 nan 8.300 nan 0.000 0.516 428 N N 5.322 123.496 118.700 -0.877 0.000 2.589 428 N HA 0.077 4.802 4.740 -0.024 0.000 0.232 428 N C 0.631 175.715 175.510 -0.710 0.000 1.015 428 N CA 0.082 52.792 53.050 -0.566 0.000 0.931 428 N CB 0.498 38.757 38.487 -0.380 0.000 1.150 428 N HN 0.828 nan 8.380 nan 0.000 0.512 429 E N 1.002 120.992 120.200 -0.350 0.000 2.118 429 E HA -0.149 4.187 4.350 -0.024 0.000 0.195 429 E C 0.933 177.456 176.600 -0.127 0.000 0.992 429 E CA 1.576 57.897 56.400 -0.131 0.000 0.804 429 E CB 0.338 30.076 29.700 0.062 0.000 0.741 429 E HN 0.620 nan 8.360 nan 0.000 0.458 430 T N 1.245 115.721 114.554 -0.130 0.000 2.607 430 T HA -0.167 4.168 4.350 -0.024 0.000 0.267 430 T C 1.644 176.279 174.700 -0.109 0.000 1.049 430 T CA 1.197 63.241 62.100 -0.093 0.000 1.162 430 T CB -0.074 68.745 68.868 -0.082 0.000 0.863 430 T HN 0.049 nan 8.240 nan 0.000 0.424 431 K N 0.446 120.744 120.400 -0.171 0.000 2.361 431 K HA 0.192 4.498 4.320 -0.024 0.000 0.196 431 K C 1.724 178.224 176.600 -0.167 0.000 1.039 431 K CA 0.690 56.888 56.287 -0.148 0.000 1.001 431 K CB -0.086 32.325 32.500 -0.148 0.000 0.795 431 K HN 0.540 nan 8.250 nan 0.000 0.495 432 G N 2.085 110.713 108.800 -0.287 0.000 2.160 432 G HA2 -0.251 3.694 3.960 -0.024 0.000 0.251 432 G HA3 -0.251 3.694 3.960 -0.024 0.000 0.251 432 G C 0.188 174.971 174.900 -0.194 0.000 1.008 432 G CA 0.582 45.574 45.100 -0.180 0.000 0.724 432 G HN 0.269 nan 8.290 nan 0.000 0.514 433 V N -3.841 115.805 119.914 -0.447 0.000 3.001 433 V HA 0.848 4.954 4.120 -0.024 0.000 0.314 433 V C 0.082 175.976 176.094 -0.333 0.000 1.099 433 V CA -2.487 59.700 62.300 -0.189 0.000 0.989 433 V CB 1.449 33.252 31.823 -0.033 0.000 1.040 433 V HN 0.262 nan 8.190 nan 0.000 0.434 434 Y N 0.991 121.358 120.300 0.112 0.000 2.346 434 Y HA 0.548 5.084 4.550 -0.024 0.000 0.330 434 Y C 0.846 176.806 175.900 0.099 0.000 1.178 434 Y CA 0.313 58.509 58.100 0.160 0.000 1.331 434 Y CB 0.837 39.444 38.460 0.245 0.000 1.253 434 Y HN 0.700 nan 8.280 nan 0.000 0.529 435 E N 2.131 122.447 120.200 0.194 0.000 2.312 435 E HA 0.280 4.616 4.350 -0.024 0.000 0.267 435 E C -1.155 175.428 176.600 -0.029 0.000 0.894 435 E CA -1.392 55.065 56.400 0.095 0.000 0.773 435 E CB 2.123 31.831 29.700 0.013 0.000 1.241 435 E HN 0.485 nan 8.360 nan 0.000 0.432 436 K N -0.177 120.102 120.400 -0.201 0.000 2.185 436 K HA 0.384 4.689 4.320 -0.024 0.000 0.271 436 K C -0.700 175.799 176.600 -0.169 0.000 1.013 436 K CA -0.506 55.546 56.287 -0.391 0.000 0.943 436 K CB 0.867 32.950 32.500 -0.694 0.000 0.998 436 K HN 0.118 nan 8.250 nan 0.000 0.468 437 V N 2.678 122.509 119.914 -0.138 0.000 2.325 437 V HA 0.545 4.651 4.120 -0.024 0.000 0.280 437 V C 0.532 176.584 176.094 -0.070 0.000 1.016 437 V CA 0.248 62.505 62.300 -0.073 0.000 0.818 437 V CB -0.106 31.694 31.823 -0.037 0.000 1.019 437 V HN 1.199 nan 8.190 nan 0.000 0.434 438 G N 4.400 113.166 108.800 -0.057 0.000 2.416 438 G HA2 -0.104 3.841 3.960 -0.024 0.000 0.203 438 G HA3 -0.104 3.841 3.960 -0.024 0.000 0.203 438 G C -0.597 174.272 174.900 -0.052 0.000 1.227 438 G CA -0.744 44.330 45.100 -0.043 0.000 1.041 438 G HN 0.555 nan 8.290 nan 0.000 0.546 439 E N 1.019 121.194 120.200 -0.041 0.000 2.344 439 E HA 0.430 4.766 4.350 -0.024 0.000 0.270 439 E C 1.563 178.142 176.600 -0.035 0.000 1.021 439 E CA 0.347 56.730 56.400 -0.030 0.000 0.887 439 E CB 1.257 30.941 29.700 -0.026 0.000 0.997 439 E HN 1.044 nan 8.360 nan 0.000 0.429 440 A N 3.768 126.593 122.820 0.007 0.000 1.903 440 A HA -0.271 4.035 4.320 -0.024 0.000 0.219 440 A C 2.218 179.863 177.584 0.102 0.000 1.191 440 A CA 2.742 54.834 52.037 0.093 0.000 0.638 440 A CB -1.050 18.062 19.000 0.187 0.000 0.823 440 A HN 0.741 nan 8.150 nan 0.000 0.451 441 T N -2.119 112.470 114.554 0.058 0.000 2.867 441 T HA -0.114 4.222 4.350 -0.024 0.000 0.268 441 T C 1.538 176.258 174.700 0.033 0.000 1.057 441 T CA 1.515 63.645 62.100 0.049 0.000 1.136 441 T CB -0.375 68.508 68.868 0.025 0.000 0.874 441 T HN 0.667 nan 8.240 nan 0.000 0.466 442 E N 0.844 121.049 120.200 0.008 0.000 2.112 442 E HA -0.037 4.298 4.350 -0.024 0.000 0.190 442 E C 2.280 178.871 176.600 -0.016 0.000 0.979 442 E CA 1.275 57.673 56.400 -0.003 0.000 0.814 442 E CB -0.275 29.419 29.700 -0.011 0.000 0.762 442 E HN 0.504 nan 8.360 nan 0.000 0.460 443 T N 1.097 115.621 114.554 -0.049 0.000 2.962 443 T HA -0.079 4.257 4.350 -0.024 0.000 0.270 443 T C 1.932 176.638 174.700 0.011 0.000 1.088 443 T CA 0.903 62.939 62.100 -0.105 0.000 1.127 443 T CB -0.068 68.583 68.868 -0.361 0.000 0.883 443 T HN 0.205 nan 8.240 nan 0.000 0.493 444 A N 1.475 124.358 122.820 0.106 0.000 1.930 444 A HA 0.056 4.361 4.320 -0.024 0.000 0.217 444 A C 2.248 179.863 177.584 0.051 0.000 1.175 444 A CA 0.966 53.085 52.037 0.137 0.000 0.627 444 A CB -0.674 18.398 19.000 0.119 0.000 0.815 444 A HN 0.476 nan 8.150 nan 0.000 0.443 445 L N -0.682 120.554 121.223 0.022 0.000 2.017 445 L HA -0.166 4.159 4.340 -0.024 0.000 0.208 445 L C 2.782 179.641 176.870 -0.019 0.000 1.073 445 L CA 1.842 56.677 54.840 -0.008 0.000 0.745 445 L CB -1.339 40.712 42.059 -0.014 0.000 0.894 445 L HN 0.344 nan 8.230 nan 0.000 0.432 446 T N -1.006 113.538 114.554 -0.017 0.000 2.684 446 T HA -0.190 4.146 4.350 -0.024 0.000 0.267 446 T C 1.918 176.604 174.700 -0.024 0.000 1.036 446 T CA 2.030 64.115 62.100 -0.025 0.000 1.148 446 T CB -0.409 68.440 68.868 -0.031 0.000 0.863 446 T HN 0.339 nan 8.240 nan 0.000 0.436 447 T N 2.443 116.995 114.554 -0.003 0.000 2.746 447 T HA -0.050 4.286 4.350 -0.024 0.000 0.267 447 T C 1.931 176.614 174.700 -0.028 0.000 1.039 447 T CA 1.021 63.117 62.100 -0.007 0.000 1.142 447 T CB -0.528 68.379 68.868 0.066 0.000 0.866 447 T HN 0.180 nan 8.240 nan 0.000 0.444 448 L N 1.453 122.663 121.223 -0.022 0.000 2.012 448 L HA -0.079 4.246 4.340 -0.024 0.000 0.210 448 L C 2.410 179.242 176.870 -0.063 0.000 1.073 448 L CA 1.621 56.434 54.840 -0.044 0.000 0.748 448 L CB -0.815 41.217 42.059 -0.044 0.000 0.891 448 L HN 0.070 nan 8.230 nan 0.000 0.431 449 V N 0.076 119.953 119.914 -0.061 0.000 2.392 449 V HA -0.242 3.864 4.120 -0.024 0.000 0.249 449 V C 2.679 178.737 176.094 -0.060 0.000 1.059 449 V CA 1.839 64.097 62.300 -0.069 0.000 1.051 449 V CB -0.763 31.025 31.823 -0.058 0.000 0.658 449 V HN 0.507 nan 8.190 nan 0.000 0.455 450 E N 0.256 120.423 120.200 -0.055 0.000 2.072 450 E HA -0.177 4.158 4.350 -0.024 0.000 0.191 450 E C 2.232 178.795 176.600 -0.062 0.000 0.985 450 E CA 1.056 57.421 56.400 -0.057 0.000 0.801 450 E CB -0.236 29.418 29.700 -0.077 0.000 0.750 450 E HN 0.611 nan 8.360 nan 0.000 0.452 451 K N 0.232 120.592 120.400 -0.067 0.000 2.057 451 K HA -0.019 4.287 4.320 -0.024 0.000 0.207 451 K C 2.333 178.894 176.600 -0.065 0.000 1.049 451 K CA 1.284 57.534 56.287 -0.062 0.000 0.931 451 K CB -0.163 32.302 32.500 -0.059 0.000 0.714 451 K HN 0.087 nan 8.250 nan 0.000 0.440 452 M N 0.513 120.063 119.600 -0.083 0.000 2.099 452 M HA -0.113 4.352 4.480 -0.024 0.000 0.262 452 M C 0.496 176.738 176.300 -0.097 0.000 1.067 452 M CA 0.657 55.892 55.300 -0.108 0.000 1.124 452 M CB -0.530 31.983 32.600 -0.146 0.000 1.353 452 M HN 0.145 nan 8.290 nan 0.000 0.410 453 N N 0.831 119.483 118.700 -0.080 0.000 2.667 453 N HA -0.123 4.603 4.740 -0.024 0.000 0.263 453 N C 0.234 175.690 175.510 -0.091 0.000 1.038 453 N CA 0.593 53.611 53.050 -0.053 0.000 0.749 453 N CB -0.652 37.817 38.487 -0.030 0.000 0.892 453 N HN 0.335 nan 8.380 nan 0.000 0.546 454 V N -2.523 117.277 119.914 -0.191 0.000 2.970 454 V HA 0.092 4.198 4.120 -0.024 0.000 0.260 454 V C 1.376 177.170 176.094 -0.501 0.000 1.100 454 V CA 1.280 63.355 62.300 -0.376 0.000 1.122 454 V CB -0.658 30.832 31.823 -0.554 0.000 0.721 454 V HN 0.266 nan 8.190 nan 0.000 0.483 455 F N 1.501 121.431 119.950 -0.033 0.000 2.750 455 F HA 0.480 4.993 4.527 -0.024 0.000 0.297 455 F C 0.868 176.655 175.800 -0.022 0.000 1.138 455 F CA -1.172 56.812 58.000 -0.027 0.000 1.346 455 F CB -0.911 38.072 39.000 -0.028 0.000 0.965 455 F HN 0.168 nan 8.300 nan 0.000 0.514 456 N N 0.980 119.722 118.700 0.072 0.000 2.686 456 N HA -0.177 4.549 4.740 -0.024 0.000 0.261 456 N C -0.284 175.262 175.510 0.061 0.000 1.001 456 N CA 0.928 54.007 53.050 0.047 0.000 0.764 456 N CB -1.369 37.139 38.487 0.035 0.000 0.898 456 N HN 0.188 nan 8.380 nan 0.000 0.544 457 T N 0.472 115.065 114.554 0.064 0.000 2.897 457 T HA 0.139 4.475 4.350 -0.024 0.000 0.294 457 T C 0.765 175.481 174.700 0.026 0.000 1.004 457 T CA -0.396 61.734 62.100 0.050 0.000 1.106 457 T CB 1.821 70.721 68.868 0.055 0.000 0.949 457 T HN 0.138 nan 8.240 nan 0.000 0.520 458 E N 2.068 122.279 120.200 0.018 0.000 2.265 458 E HA 0.205 4.540 4.350 -0.024 0.000 0.272 458 E C 0.559 177.163 176.600 0.006 0.000 1.067 458 E CA -0.327 56.079 56.400 0.010 0.000 0.900 458 E CB 0.150 29.854 29.700 0.007 0.000 1.017 458 E HN 0.466 nan 8.360 nan 0.000 0.431 459 V N 1.942 121.858 119.914 0.003 0.000 3.502 459 V HA 0.265 4.371 4.120 -0.024 0.000 0.288 459 V C 1.615 177.706 176.094 -0.004 0.000 1.461 459 V CA -0.000 62.299 62.300 -0.001 0.000 1.029 459 V CB -0.002 31.819 31.823 -0.004 0.000 0.843 459 V HN 0.467 nan 8.190 nan 0.000 0.438 460 R N 1.469 121.968 120.500 -0.003 0.000 2.105 460 R HA -0.086 4.240 4.340 -0.024 0.000 0.239 460 R C 2.048 178.343 176.300 -0.007 0.000 1.135 460 R CA 2.042 58.139 56.100 -0.004 0.000 0.967 460 R CB -0.423 29.876 30.300 -0.002 0.000 0.861 460 R HN 0.535 nan 8.270 nan 0.000 0.442 461 N N 0.666 119.362 118.700 -0.006 0.000 2.188 461 N HA -0.059 4.667 4.740 -0.024 0.000 0.184 461 N C 0.648 176.150 175.510 -0.013 0.000 1.018 461 N CA 0.684 53.730 53.050 -0.008 0.000 0.858 461 N CB -0.239 38.245 38.487 -0.005 0.000 0.989 461 N HN 0.121 nan 8.380 nan 0.000 0.426 462 L N 1.563 122.779 121.223 -0.012 0.000 2.516 462 L HA -0.016 4.309 4.340 -0.024 0.000 0.288 462 L C 1.004 177.854 176.870 -0.034 0.000 1.246 462 L CA -0.095 54.736 54.840 -0.016 0.000 0.844 462 L CB -0.056 41.999 42.059 -0.008 0.000 1.106 462 L HN 0.169 nan 8.230 nan 0.000 0.509 463 S N 1.293 116.968 115.700 -0.040 0.000 2.614 463 S HA 0.146 4.602 4.470 -0.024 0.000 0.265 463 S C 0.664 175.192 174.600 -0.120 0.000 1.303 463 S CA -0.791 57.363 58.200 -0.077 0.000 1.000 463 S CB 1.265 64.432 63.200 -0.056 0.000 0.935 463 S HN 0.541 nan 8.310 nan 0.000 0.551 464 K N 0.015 120.250 120.400 -0.275 0.000 2.365 464 K HA -0.019 4.287 4.320 -0.024 0.000 0.199 464 K C 1.807 178.231 176.600 -0.293 0.000 1.045 464 K CA 0.980 56.990 56.287 -0.461 0.000 0.962 464 K CB -0.376 31.350 32.500 -1.289 0.000 0.759 464 K HN 0.599 nan 8.250 nan 0.000 0.469 465 V N -1.436 118.396 119.914 -0.138 0.000 3.052 465 V HA -0.025 4.080 4.120 -0.024 0.000 0.254 465 V C 1.607 177.746 176.094 0.075 0.000 1.100 465 V CA 1.274 63.612 62.300 0.062 0.000 1.112 465 V CB 0.148 32.033 31.823 0.104 0.000 0.738 465 V HN 0.179 nan 8.190 nan 0.000 0.469 466 E N 0.237 120.456 120.200 0.031 0.000 2.190 466 E HA -0.078 4.258 4.350 -0.024 0.000 0.191 466 E C 2.240 178.868 176.600 0.047 0.000 0.978 466 E CA 0.373 56.794 56.400 0.035 0.000 0.839 466 E CB 0.095 29.802 29.700 0.012 0.000 0.787 466 E HN 0.510 nan 8.360 nan 0.000 0.473 467 R N 1.047 121.579 120.500 0.053 0.000 2.092 467 R HA -0.041 4.285 4.340 -0.024 0.000 0.231 467 R C 1.917 178.265 176.300 0.080 0.000 1.119 467 R CA 1.600 57.734 56.100 0.057 0.000 0.970 467 R CB -0.806 29.535 30.300 0.068 0.000 0.864 467 R HN 0.159 nan 8.270 nan 0.000 0.440 468 A N 0.524 123.468 122.820 0.207 0.000 1.929 468 A HA -0.226 4.080 4.320 -0.024 0.000 0.221 468 A C 1.307 178.934 177.584 0.072 0.000 1.211 468 A CA 2.238 54.405 52.037 0.216 0.000 0.657 468 A CB -0.431 18.767 19.000 0.331 0.000 0.827 468 A HN 0.596 nan 8.150 nan 0.000 0.462 469 N N -2.103 116.633 118.700 0.060 0.000 2.305 469 N HA 0.352 5.078 4.740 -0.024 0.000 0.248 469 N C 1.097 176.620 175.510 0.021 0.000 1.290 469 N CA 0.640 53.709 53.050 0.031 0.000 0.873 469 N CB 0.693 39.202 38.487 0.036 0.000 1.261 469 N HN 0.428 nan 8.380 nan 0.000 0.504 470 A N 0.405 123.236 122.820 0.019 0.000 1.865 470 A HA -0.151 4.155 4.320 -0.024 0.000 0.217 470 A C 2.308 179.902 177.584 0.017 0.000 1.191 470 A CA 1.380 53.426 52.037 0.016 0.000 0.623 470 A CB -0.694 18.313 19.000 0.013 0.000 0.826 470 A HN 0.428 nan 8.150 nan 0.000 0.444 471 C N -0.390 118.919 119.300 0.014 0.000 2.475 471 C HA -0.011 4.434 4.460 -0.024 0.000 0.279 471 C C 2.600 177.609 174.990 0.032 0.000 1.322 471 C CA 0.657 59.692 59.018 0.029 0.000 1.734 471 C CB -1.503 26.244 27.740 0.012 0.000 2.005 471 C HN 0.620 nan 8.230 nan 0.000 0.495 472 N N 1.271 119.978 118.700 0.012 0.000 2.166 472 N HA -0.116 4.609 4.740 -0.024 0.000 0.186 472 N C 1.812 177.330 175.510 0.013 0.000 1.019 472 N CA 1.374 54.428 53.050 0.008 0.000 0.856 472 N CB -0.251 38.234 38.487 -0.002 0.000 0.993 472 N HN 0.445 nan 8.380 nan 0.000 0.426 473 S N 0.575 116.283 115.700 0.013 0.000 2.402 473 S HA -0.038 4.417 4.470 -0.024 0.000 0.229 473 S C 2.280 176.880 174.600 -0.001 0.000 1.021 473 S CA 0.439 58.644 58.200 0.007 0.000 0.974 473 S CB -0.070 63.134 63.200 0.007 0.000 0.800 473 S HN 0.094 nan 8.310 nan 0.000 0.484 474 V N 2.126 122.045 119.914 0.008 0.000 2.261 474 V HA -0.192 3.914 4.120 -0.024 0.000 0.246 474 V C 2.057 178.124 176.094 -0.045 0.000 1.047 474 V CA 1.668 63.958 62.300 -0.017 0.000 1.015 474 V CB -0.640 31.197 31.823 0.023 0.000 0.642 474 V HN 0.449 nan 8.190 nan 0.000 0.446 475 I N -0.441 120.146 120.570 0.027 0.000 2.208 475 I HA -0.286 3.869 4.170 -0.024 0.000 0.245 475 I C 2.710 178.821 176.117 -0.011 0.000 1.097 475 I CA 1.683 63.001 61.300 0.030 0.000 1.363 475 I CB -0.425 37.618 38.000 0.072 0.000 1.051 475 I HN 0.207 nan 8.210 nan 0.000 0.413 476 R N 0.195 120.691 120.500 -0.006 0.000 2.193 476 R HA -0.173 4.153 4.340 -0.024 0.000 0.229 476 R C 2.155 178.446 176.300 -0.015 0.000 1.110 476 R CA 1.013 57.111 56.100 -0.003 0.000 0.988 476 R CB -0.194 30.107 30.300 0.003 0.000 0.871 476 R HN 0.512 nan 8.270 nan 0.000 0.458 477 Q N -0.390 119.388 119.800 -0.036 0.000 2.311 477 Q HA -0.040 4.286 4.340 -0.024 0.000 0.203 477 Q C 1.338 177.298 176.000 -0.067 0.000 0.954 477 Q CA 0.601 56.375 55.803 -0.049 0.000 0.885 477 Q CB 0.305 29.007 28.738 -0.060 0.000 0.963 477 Q HN 0.135 nan 8.270 nan 0.000 0.471 478 L N -0.818 120.352 121.223 -0.088 0.000 2.249 478 L HA 0.148 4.473 4.340 -0.024 0.000 0.207 478 L C 0.329 177.179 176.870 -0.032 0.000 1.090 478 L CA 1.175 55.959 54.840 -0.094 0.000 0.802 478 L CB 0.271 42.232 42.059 -0.163 0.000 0.947 478 L HN 0.194 nan 8.230 nan 0.000 0.453 479 M N 0.056 119.655 119.600 -0.003 0.000 2.213 479 M HA 0.241 4.707 4.480 -0.024 0.000 0.286 479 M C -0.512 175.808 176.300 0.035 0.000 1.008 479 M CA -0.334 54.988 55.300 0.036 0.000 0.937 479 M CB 2.095 34.756 32.600 0.102 0.000 1.600 479 M HN -0.079 nan 8.290 nan 0.000 0.450 480 K N 2.778 123.194 120.400 0.026 0.000 2.297 480 K HA 0.194 4.500 4.320 -0.024 0.000 0.286 480 K C -0.155 176.460 176.600 0.025 0.000 1.053 480 K CA -0.185 56.117 56.287 0.025 0.000 0.940 480 K CB 1.044 33.558 32.500 0.023 0.000 1.019 480 K HN 0.587 nan 8.250 nan 0.000 0.475 481 K N 4.103 124.519 120.400 0.026 0.000 2.349 481 K HA 0.004 4.310 4.320 -0.024 0.000 0.289 481 K C 0.131 176.729 176.600 -0.003 0.000 1.064 481 K CA 0.202 56.492 56.287 0.004 0.000 0.947 481 K CB 0.652 33.165 32.500 0.021 0.000 1.007 481 K HN 0.604 nan 8.250 nan 0.000 0.478 482 E N 3.499 123.665 120.200 -0.058 0.000 2.140 482 E HA 0.053 4.388 4.350 -0.024 0.000 0.191 482 E C -0.394 176.281 176.600 0.123 0.000 0.973 482 E CA 0.477 56.889 56.400 0.020 0.000 0.829 482 E CB 0.093 29.826 29.700 0.054 0.000 0.781 482 E HN 0.590 nan 8.360 nan 0.000 0.466 483 F N -2.481 117.493 119.950 0.039 0.000 2.807 483 F HA 0.463 4.975 4.527 -0.024 0.000 0.316 483 F C -1.130 174.679 175.800 0.014 0.000 1.162 483 F CA -1.315 56.688 58.000 0.005 0.000 0.910 483 F CB 1.237 40.208 39.000 -0.050 0.000 1.314 483 F HN -0.458 nan 8.300 nan 0.000 0.454 484 T N 2.630 117.329 114.554 0.242 0.000 2.829 484 T HA 0.540 4.876 4.350 -0.024 0.000 0.280 484 T C -0.535 174.225 174.700 0.099 0.000 0.999 484 T CA -0.629 61.547 62.100 0.126 0.000 0.983 484 T CB 1.419 70.355 68.868 0.113 0.000 0.968 484 T HN 0.596 nan 8.240 nan 0.000 0.446 485 L N 4.349 125.543 121.223 -0.048 0.000 2.356 485 L HA 0.277 4.603 4.340 -0.024 0.000 0.282 485 L C 1.269 178.162 176.870 0.038 0.000 1.132 485 L CA -0.661 53.955 54.840 -0.372 0.000 0.923 485 L CB -0.261 41.426 42.059 -0.620 0.000 1.278 485 L HN 0.758 nan 8.230 nan 0.000 0.436 486 E N 2.326 122.671 120.200 0.243 0.000 2.438 486 E HA -0.062 4.273 4.350 -0.024 0.000 0.261 486 E C -0.256 176.570 176.600 0.376 0.000 1.103 486 E CA -0.638 55.947 56.400 0.308 0.000 0.959 486 E CB 0.622 30.501 29.700 0.298 0.000 0.958 486 E HN 0.314 nan 8.360 nan 0.000 0.447 487 F N 2.298 122.356 119.950 0.179 0.000 2.608 487 F HA 0.045 4.557 4.527 -0.024 0.000 0.380 487 F C -0.189 175.698 175.800 0.145 0.000 1.083 487 F CA 0.400 58.490 58.000 0.152 0.000 1.266 487 F CB 0.520 39.583 39.000 0.106 0.000 1.076 487 F HN 0.501 nan 8.300 nan 0.000 0.574 488 S N 5.869 121.288 115.700 -0.468 0.000 2.526 488 S HA 0.483 4.939 4.470 -0.024 0.000 0.293 488 S C 0.710 174.965 174.600 -0.576 0.000 1.092 488 S CA -1.073 56.939 58.200 -0.314 0.000 0.980 488 S CB 2.104 65.207 63.200 -0.163 0.000 1.048 488 S HN 0.823 nan 8.310 nan 0.000 0.483 489 R N 1.601 122.007 120.500 -0.157 0.000 2.134 489 R HA -0.201 4.125 4.340 -0.024 0.000 0.248 489 R C 1.723 177.958 176.300 -0.110 0.000 1.143 489 R CA 2.349 58.425 56.100 -0.040 0.000 0.957 489 R CB -0.773 29.575 30.300 0.080 0.000 0.867 489 R HN 0.925 nan 8.270 nan 0.000 0.441 490 D N 0.483 120.815 120.400 -0.114 0.000 2.221 490 D HA -0.228 4.397 4.640 -0.024 0.000 0.204 490 D C 1.666 177.902 176.300 -0.107 0.000 0.982 490 D CA 1.560 55.504 54.000 -0.093 0.000 0.857 490 D CB -0.209 40.538 40.800 -0.089 0.000 0.934 490 D HN 0.503 nan 8.370 nan 0.000 0.475 491 R N 0.156 120.550 120.500 -0.176 0.000 2.394 491 R HA 0.128 4.454 4.340 -0.024 0.000 0.220 491 R C 0.305 176.508 176.300 -0.161 0.000 0.887 491 R CA -0.334 55.686 56.100 -0.134 0.000 1.034 491 R CB 0.014 30.258 30.300 -0.094 0.000 1.179 491 R HN -0.185 nan 8.270 nan 0.000 0.561 492 K N 1.938 122.130 120.400 -0.348 0.000 3.244 492 K HA -0.179 4.127 4.320 -0.024 0.000 0.270 492 K C -1.012 175.558 176.600 -0.050 0.000 1.016 492 K CA 0.956 57.108 56.287 -0.225 0.000 0.754 492 K CB -1.675 30.859 32.500 0.057 0.000 1.326 492 K HN 0.683 nan 8.250 nan 0.000 0.465 493 S N -1.207 114.378 115.700 -0.192 0.000 2.595 493 S HA 0.760 5.216 4.470 -0.024 0.000 0.270 493 S C -0.701 173.954 174.600 0.092 0.000 1.145 493 S CA -1.050 57.190 58.200 0.066 0.000 0.825 493 S CB 2.290 65.525 63.200 0.059 0.000 1.107 493 S HN 0.428 nan 8.310 nan 0.000 0.461 494 M N 0.218 119.922 119.600 0.174 0.000 2.631 494 M HA 0.916 5.381 4.480 -0.024 0.000 0.288 494 M C -0.971 175.399 176.300 0.116 0.000 1.260 494 M CA -0.577 54.827 55.300 0.172 0.000 0.842 494 M CB 2.146 34.891 32.600 0.242 0.000 1.743 494 M HN 1.139 nan 8.290 nan 0.000 0.461 495 S N 0.245 115.995 115.700 0.082 0.000 2.671 495 S HA 0.910 5.366 4.470 -0.024 0.000 0.277 495 S C -0.959 173.653 174.600 0.018 0.000 1.165 495 S CA -0.441 57.790 58.200 0.051 0.000 0.822 495 S CB 1.714 64.931 63.200 0.027 0.000 1.150 495 S HN 1.529 nan 8.310 nan 0.000 0.479 496 V N -1.017 118.890 119.914 -0.011 0.000 2.709 496 V HA 0.706 4.811 4.120 -0.024 0.000 0.308 496 V C -1.409 174.554 176.094 -0.218 0.000 1.062 496 V CA -0.907 61.350 62.300 -0.072 0.000 0.901 496 V CB 1.165 32.996 31.823 0.014 0.000 1.003 496 V HN 0.988 nan 8.190 nan 0.000 0.425 497 Y N 3.276 123.232 120.300 -0.573 0.000 2.350 497 Y HA 0.727 5.263 4.550 -0.024 0.000 0.340 497 Y C -0.007 175.563 175.900 -0.550 0.000 1.006 497 Y CA -0.405 57.258 58.100 -0.727 0.000 1.166 497 Y CB 0.949 38.572 38.460 -1.394 0.000 1.168 497 Y HN 1.006 nan 8.280 nan 0.000 0.502 498 C N 3.518 122.517 119.300 -0.501 0.000 2.889 498 C HA 0.858 5.304 4.460 -0.024 0.000 0.307 498 C C -0.699 174.150 174.990 -0.234 0.000 1.251 498 C CA -0.809 58.068 59.018 -0.236 0.000 1.593 498 C CB 1.278 28.962 27.740 -0.094 0.000 2.104 498 C HN 0.908 nan 8.230 nan 0.000 0.476 499 S N 0.349 116.008 115.700 -0.067 0.000 2.607 499 S HA 0.749 5.205 4.470 -0.024 0.000 0.273 499 S C -3.484 171.112 174.600 -0.006 0.000 1.148 499 S CA -1.276 56.898 58.200 -0.043 0.000 0.833 499 S CB 1.366 64.578 63.200 0.020 0.000 1.130 499 S HN 0.438 nan 8.310 nan 0.000 0.470 500 P HA 0.296 nan 4.420 nan 0.000 0.268 500 P C 0.151 177.451 177.300 -0.000 0.000 1.205 500 P CA -0.114 62.986 63.100 -0.000 0.000 0.771 500 P CB 0.507 32.203 31.700 -0.006 0.000 0.858 501 A N 3.553 126.369 122.820 -0.006 0.000 2.238 501 A HA 0.055 4.360 4.320 -0.024 0.000 0.210 501 A C 0.470 178.045 177.584 -0.015 0.000 1.179 501 A CA 0.970 53.002 52.037 -0.008 0.000 0.827 501 A CB -0.196 18.797 19.000 -0.012 0.000 0.856 501 A HN 0.372 nan 8.150 nan 0.000 0.488 502 K N -0.477 119.911 120.400 -0.020 0.000 2.464 502 K HA 0.266 4.572 4.320 -0.024 0.000 0.253 502 K C 0.593 177.182 176.600 -0.017 0.000 0.933 502 K CA 0.328 56.602 56.287 -0.022 0.000 0.801 502 K CB 1.704 34.183 32.500 -0.035 0.000 1.271 502 K HN 0.170 nan 8.250 nan 0.000 0.430 503 S N 0.330 116.022 115.700 -0.014 0.000 2.419 503 S HA -0.219 4.237 4.470 -0.024 0.000 0.235 503 S C 1.829 176.422 174.600 -0.013 0.000 1.019 503 S CA 1.955 60.148 58.200 -0.011 0.000 0.982 503 S CB -0.368 62.827 63.200 -0.009 0.000 0.789 503 S HN 0.678 nan 8.310 nan 0.000 0.490 504 S N 1.816 117.506 115.700 -0.017 0.000 2.382 504 S HA 0.004 4.460 4.470 -0.024 0.000 0.228 504 S C 1.803 176.393 174.600 -0.016 0.000 1.027 504 S CA 0.809 58.999 58.200 -0.018 0.000 0.991 504 S CB -0.488 62.698 63.200 -0.024 0.000 0.823 504 S HN 0.420 nan 8.310 nan 0.000 0.469 505 R N 1.499 121.987 120.500 -0.020 0.000 2.319 505 R HA 0.482 4.808 4.340 -0.024 0.000 0.204 505 R C 2.046 178.342 176.300 -0.007 0.000 0.954 505 R CA 0.449 56.541 56.100 -0.013 0.000 1.066 505 R CB -1.281 29.007 30.300 -0.019 0.000 0.991 505 R HN 0.575 nan 8.270 nan 0.000 0.486 506 A N 0.442 123.257 122.820 -0.009 0.000 1.986 506 A HA -0.207 4.099 4.320 -0.024 0.000 0.220 506 A C 2.224 179.803 177.584 -0.009 0.000 1.171 506 A CA 1.802 53.834 52.037 -0.008 0.000 0.640 506 A CB -0.659 18.337 19.000 -0.007 0.000 0.811 506 A HN 0.348 nan 8.150 nan 0.000 0.451 507 A N -0.668 122.148 122.820 -0.006 0.000 2.076 507 A HA 0.003 4.308 4.320 -0.024 0.000 0.220 507 A C 2.142 179.720 177.584 -0.010 0.000 1.160 507 A CA 1.769 53.801 52.037 -0.007 0.000 0.653 507 A CB -0.719 18.280 19.000 -0.003 0.000 0.801 507 A HN 0.417 nan 8.150 nan 0.000 0.455 508 V N -0.939 118.971 119.914 -0.006 0.000 2.379 508 V HA 0.192 4.298 4.120 -0.024 0.000 0.245 508 V C 1.867 177.939 176.094 -0.036 0.000 1.044 508 V CA 1.131 63.427 62.300 -0.006 0.000 1.036 508 V CB -1.884 29.951 31.823 0.019 0.000 0.664 508 V HN 1.154 nan 8.190 nan 0.000 0.453 509 G N 0.726 109.503 108.800 -0.039 0.000 2.645 509 G HA2 -0.249 3.697 3.960 -0.024 0.000 0.246 509 G HA3 -0.249 3.697 3.960 -0.024 0.000 0.246 509 G C -0.360 174.473 174.900 -0.112 0.000 1.322 509 G CA -0.098 44.967 45.100 -0.058 0.000 0.898 509 G HN 0.481 nan 8.290 nan 0.000 0.573 510 N N 1.538 120.151 118.700 -0.144 0.000 2.497 510 N HA 0.453 5.178 4.740 -0.024 0.000 0.268 510 N C 0.059 175.295 175.510 -0.456 0.000 1.171 510 N CA 0.280 53.144 53.050 -0.310 0.000 0.948 510 N CB 1.127 39.468 38.487 -0.243 0.000 1.069 510 N HN 0.476 nan 8.380 nan 0.000 0.460 511 K N 1.790 121.787 120.400 -0.673 0.000 2.426 511 K HA 0.458 4.763 4.320 -0.024 0.000 0.251 511 K C -0.225 175.753 176.600 -1.038 0.000 0.941 511 K CA -0.459 55.349 56.287 -0.799 0.000 0.808 511 K CB 2.133 34.038 32.500 -0.992 0.000 1.265 511 K HN 0.463 nan 8.250 nan 0.000 0.432 512 M N 2.458 121.581 119.600 -0.794 0.000 2.180 512 M HA 0.415 4.880 4.480 -0.024 0.000 0.350 512 M C -0.883 175.083 176.300 -0.558 0.000 1.125 512 M CA -0.619 54.308 55.300 -0.622 0.000 1.031 512 M CB 0.631 33.050 32.600 -0.302 0.000 1.623 512 M HN 0.266 nan 8.290 nan 0.000 0.451 513 F N 2.671 122.548 119.950 -0.121 0.000 2.411 513 F HA 0.576 5.089 4.527 -0.024 0.000 0.352 513 F C -0.188 175.581 175.800 -0.052 0.000 1.123 513 F CA -1.036 56.913 58.000 -0.085 0.000 1.044 513 F CB 1.032 39.981 39.000 -0.085 0.000 1.135 513 F HN 0.140 nan 8.300 nan 0.000 0.461 514 V N 3.747 123.748 119.914 0.146 0.000 2.555 514 V HA 0.605 4.710 4.120 -0.024 0.000 0.302 514 V C -0.552 175.586 176.094 0.072 0.000 1.038 514 V CA -1.144 61.210 62.300 0.090 0.000 0.887 514 V CB 1.923 33.789 31.823 0.072 0.000 0.991 514 V HN 0.743 nan 8.190 nan 0.000 0.434 515 K N 2.589 123.038 120.400 0.081 0.000 2.464 515 K HA 0.945 5.251 4.320 -0.024 0.000 0.253 515 K C -0.391 176.275 176.600 0.110 0.000 0.933 515 K CA -0.579 55.751 56.287 0.071 0.000 0.801 515 K CB 2.763 35.296 32.500 0.055 0.000 1.271 515 K HN 0.989 nan 8.250 nan 0.000 0.430 516 G N 0.463 109.328 108.800 0.107 0.000 2.428 516 G HA2 0.493 4.438 3.960 -0.024 0.000 0.304 516 G HA3 0.493 4.438 3.960 -0.024 0.000 0.304 516 G C -1.430 173.546 174.900 0.127 0.000 1.303 516 G CA -0.633 44.553 45.100 0.143 0.000 0.825 516 G HN 0.758 nan 8.290 nan 0.000 0.484 517 A N 0.634 123.541 122.820 0.144 0.000 2.583 517 A HA 0.440 4.746 4.320 -0.024 0.000 0.249 517 A C -0.718 176.925 177.584 0.098 0.000 1.035 517 A CA 0.673 52.781 52.037 0.119 0.000 0.777 517 A CB -0.154 18.918 19.000 0.120 0.000 0.942 517 A HN 0.347 nan 8.150 nan 0.000 0.516 518 P HA -0.231 nan 4.420 nan 0.000 0.214 518 P C 1.499 178.842 177.300 0.072 0.000 1.163 518 P CA 1.682 64.838 63.100 0.094 0.000 0.889 518 P CB 0.161 31.910 31.700 0.082 0.000 0.790 519 E N -0.575 119.657 120.200 0.052 0.000 2.033 519 E HA -0.191 4.145 4.350 -0.024 0.000 0.199 519 E C 2.203 178.824 176.600 0.034 0.000 1.011 519 E CA 1.773 58.192 56.400 0.031 0.000 0.815 519 E CB -1.075 28.641 29.700 0.026 0.000 0.755 519 E HN 0.141 nan 8.360 nan 0.000 0.451 520 G N 0.580 109.405 108.800 0.040 0.000 2.459 520 G HA2 -0.258 3.688 3.960 -0.024 0.000 0.217 520 G HA3 -0.258 3.688 3.960 -0.024 0.000 0.217 520 G C 1.697 176.626 174.900 0.049 0.000 1.183 520 G CA 1.187 46.308 45.100 0.035 0.000 0.776 520 G HN 0.264 nan 8.290 nan 0.000 0.552 521 V N 1.177 121.134 119.914 0.072 0.000 2.255 521 V HA -0.203 3.903 4.120 -0.024 0.000 0.247 521 V C 2.810 178.971 176.094 0.111 0.000 1.051 521 V CA 1.858 64.215 62.300 0.096 0.000 1.018 521 V CB -0.471 31.424 31.823 0.120 0.000 0.641 521 V HN 0.392 nan 8.190 nan 0.000 0.445 522 I N 0.030 120.665 120.570 0.107 0.000 2.286 522 I HA -0.239 3.916 4.170 -0.024 0.000 0.248 522 I C 2.242 178.375 176.117 0.027 0.000 1.115 522 I CA 1.493 62.835 61.300 0.071 0.000 1.392 522 I CB -0.512 37.480 38.000 -0.014 0.000 1.065 522 I HN 0.304 nan 8.210 nan 0.000 0.418 523 D N 0.886 121.297 120.400 0.019 0.000 2.190 523 D HA -0.176 4.450 4.640 -0.024 0.000 0.200 523 D C 1.904 178.211 176.300 0.013 0.000 0.992 523 D CA 1.250 55.254 54.000 0.005 0.000 0.854 523 D CB -0.141 40.662 40.800 0.005 0.000 0.936 523 D HN 0.349 nan 8.370 nan 0.000 0.462 524 R N -0.770 119.751 120.500 0.035 0.000 2.427 524 R HA 0.215 4.540 4.340 -0.024 0.000 0.262 524 R C -0.156 176.179 176.300 0.059 0.000 0.943 524 R CA -0.252 55.873 56.100 0.040 0.000 1.081 524 R CB 0.409 30.738 30.300 0.048 0.000 1.166 524 R HN 0.045 nan 8.270 nan 0.000 0.534 525 C N 1.087 120.426 119.300 0.066 0.000 2.369 525 C HA 0.286 4.732 4.460 -0.024 0.000 0.358 525 C C 1.128 176.118 174.990 -0.001 0.000 1.274 525 C CA -0.789 58.281 59.018 0.087 0.000 1.935 525 C CB 0.835 28.673 27.740 0.164 0.000 2.431 525 C HN 0.480 nan 8.230 nan 0.000 0.545 526 N N 0.271 118.931 118.700 -0.066 0.000 2.227 526 N HA 0.158 4.883 4.740 -0.024 0.000 0.196 526 N C -0.659 174.542 175.510 -0.514 0.000 1.142 526 N CA 0.456 53.315 53.050 -0.319 0.000 0.887 526 N CB 0.354 38.556 38.487 -0.475 0.000 1.022 526 N HN 0.720 nan 8.380 nan 0.000 0.500 527 Y N -1.006 119.333 120.300 0.063 0.000 2.633 527 Y HA 0.629 5.165 4.550 -0.024 0.000 0.339 527 Y C -0.142 175.827 175.900 0.115 0.000 1.045 527 Y CA -1.050 57.093 58.100 0.071 0.000 1.098 527 Y CB 1.629 40.126 38.460 0.062 0.000 1.296 527 Y HN -0.429 nan 8.280 nan 0.000 0.494 528 V N 1.654 121.747 119.914 0.299 0.000 2.656 528 V HA 0.512 4.618 4.120 -0.024 0.000 0.307 528 V C -0.785 175.441 176.094 0.221 0.000 1.051 528 V CA -0.939 61.528 62.300 0.279 0.000 0.893 528 V CB 1.990 33.940 31.823 0.213 0.000 0.999 528 V HN 0.657 nan 8.190 nan 0.000 0.426 529 R N 3.434 124.054 120.500 0.199 0.000 2.390 529 R HA 0.602 4.927 4.340 -0.024 0.000 0.291 529 R C -1.214 175.166 176.300 0.133 0.000 1.070 529 R CA 0.009 56.183 56.100 0.124 0.000 1.014 529 R CB 1.230 31.572 30.300 0.070 0.000 1.007 529 R HN 0.452 nan 8.270 nan 0.000 0.466 530 V N 5.953 125.932 119.914 0.108 0.000 2.357 530 V HA 0.454 4.559 4.120 -0.024 0.000 0.281 530 V C 1.009 177.160 176.094 0.096 0.000 1.015 530 V CA 0.188 62.554 62.300 0.110 0.000 0.827 530 V CB 0.499 32.385 31.823 0.104 0.000 1.018 530 V HN 1.077 nan 8.190 nan 0.000 0.432 531 G N 5.288 114.152 108.800 0.107 0.000 2.620 531 G HA2 -0.382 3.563 3.960 -0.024 0.000 0.315 531 G HA3 -0.382 3.563 3.960 -0.024 0.000 0.315 531 G C 1.002 175.939 174.900 0.062 0.000 1.179 531 G CA 1.288 46.443 45.100 0.092 0.000 0.971 531 G HN 1.272 nan 8.290 nan 0.000 0.544 532 T N -0.938 113.645 114.554 0.050 0.000 3.054 532 T HA 0.473 4.808 4.350 -0.024 0.000 0.255 532 T C 1.222 175.940 174.700 0.031 0.000 1.035 532 T CA 1.464 63.586 62.100 0.036 0.000 0.941 532 T CB -0.019 68.866 68.868 0.029 0.000 1.026 532 T HN 1.574 nan 8.240 nan 0.000 0.533 533 T N 0.097 114.676 114.554 0.040 0.000 2.810 533 T HA 0.584 4.920 4.350 -0.024 0.000 0.277 533 T C -0.256 174.469 174.700 0.041 0.000 0.973 533 T CA -1.003 61.117 62.100 0.035 0.000 0.949 533 T CB 1.702 70.596 68.868 0.044 0.000 1.075 533 T HN 0.415 nan 8.240 nan 0.000 0.537 534 R N -0.080 120.442 120.500 0.035 0.000 2.584 534 R HA 0.609 4.935 4.340 -0.024 0.000 0.276 534 R C -1.631 174.726 176.300 0.096 0.000 1.046 534 R CA -0.774 55.358 56.100 0.054 0.000 0.906 534 R CB 2.085 32.365 30.300 -0.034 0.000 1.215 534 R HN 0.837 nan 8.270 nan 0.000 0.449 535 V N 0.338 120.347 119.914 0.158 0.000 3.130 535 V HA 0.716 4.821 4.120 -0.024 0.000 0.310 535 V C -2.857 173.375 176.094 0.230 0.000 1.158 535 V CA -2.690 59.714 62.300 0.173 0.000 1.029 535 V CB 1.967 33.858 31.823 0.113 0.000 1.057 535 V HN 0.632 nan 8.190 nan 0.000 0.436 536 P HA 0.279 nan 4.420 nan 0.000 0.268 536 P C -0.505 176.802 177.300 0.012 0.000 1.205 536 P CA -0.117 63.019 63.100 0.059 0.000 0.771 536 P CB 0.270 31.977 31.700 0.012 0.000 0.858 537 M N 4.091 123.658 119.600 -0.055 0.000 2.292 537 M HA 0.179 4.645 4.480 -0.024 0.000 0.342 537 M C 0.001 176.264 176.300 -0.062 0.000 1.538 537 M CA 0.591 55.863 55.300 -0.046 0.000 1.163 537 M CB -0.666 31.897 32.600 -0.062 0.000 1.823 537 M HN 0.426 nan 8.290 nan 0.000 0.462 538 T N 1.610 116.135 114.554 -0.048 0.000 2.889 538 T HA 0.704 5.040 4.350 -0.024 0.000 0.278 538 T C 1.144 175.810 174.700 -0.056 0.000 0.995 538 T CA -0.460 61.612 62.100 -0.047 0.000 0.966 538 T CB 0.875 69.725 68.868 -0.030 0.000 1.237 538 T HN 0.660 nan 8.240 nan 0.000 0.591 539 G N 0.946 109.717 108.800 -0.048 0.000 2.491 539 G HA2 -0.079 3.866 3.960 -0.024 0.000 0.218 539 G HA3 -0.079 3.866 3.960 -0.024 0.000 0.218 539 G C -0.913 173.950 174.900 -0.061 0.000 1.180 539 G CA 0.986 46.056 45.100 -0.051 0.000 0.774 539 G HN 0.650 nan 8.290 nan 0.000 0.562 540 P HA 0.037 nan 4.420 nan 0.000 0.217 540 P C 2.202 179.443 177.300 -0.099 0.000 1.154 540 P CA 0.572 63.631 63.100 -0.068 0.000 0.841 540 P CB -0.163 31.509 31.700 -0.046 0.000 0.788 541 V N 1.027 120.885 119.914 -0.093 0.000 2.250 541 V HA -0.314 3.792 4.120 -0.024 0.000 0.250 541 V C 2.582 178.582 176.094 -0.156 0.000 1.060 541 V CA 2.210 64.438 62.300 -0.119 0.000 1.030 541 V CB -1.097 30.677 31.823 -0.082 0.000 0.643 541 V HN 0.168 nan 8.190 nan 0.000 0.445 542 K N 0.370 120.685 120.400 -0.141 0.000 2.026 542 K HA -0.277 4.029 4.320 -0.024 0.000 0.208 542 K C 2.211 178.717 176.600 -0.157 0.000 1.048 542 K CA 2.071 58.259 56.287 -0.165 0.000 0.929 542 K CB -0.157 32.269 32.500 -0.124 0.000 0.713 542 K HN 0.703 nan 8.250 nan 0.000 0.439 543 E N 0.769 120.895 120.200 -0.124 0.000 2.150 543 E HA -0.227 4.108 4.350 -0.024 0.000 0.193 543 E C 1.822 178.338 176.600 -0.141 0.000 0.985 543 E CA 1.360 57.692 56.400 -0.113 0.000 0.814 543 E CB -0.114 29.534 29.700 -0.086 0.000 0.752 543 E HN 0.103 nan 8.360 nan 0.000 0.466 544 K N 1.187 121.487 120.400 -0.166 0.000 2.002 544 K HA -0.075 4.231 4.320 -0.024 0.000 0.209 544 K C 1.968 178.416 176.600 -0.253 0.000 1.048 544 K CA 1.986 58.146 56.287 -0.212 0.000 0.930 544 K CB -0.620 31.735 32.500 -0.242 0.000 0.714 544 K HN 0.343 nan 8.250 nan 0.000 0.438 545 I N 0.513 120.935 120.570 -0.247 0.000 2.127 545 I HA -0.316 3.840 4.170 -0.024 0.000 0.241 545 I C 2.203 178.225 176.117 -0.158 0.000 1.075 545 I CA 1.395 62.560 61.300 -0.224 0.000 1.334 545 I CB -0.304 37.473 38.000 -0.373 0.000 1.040 545 I HN 0.135 nan 8.210 nan 0.000 0.405 546 L N 0.439 121.568 121.223 -0.157 0.000 2.079 546 L HA -0.225 4.101 4.340 -0.024 0.000 0.210 546 L C 2.814 179.617 176.870 -0.110 0.000 1.081 546 L CA 1.733 56.508 54.840 -0.108 0.000 0.752 546 L CB -0.734 41.271 42.059 -0.090 0.000 0.896 546 L HN 0.402 nan 8.230 nan 0.000 0.433 547 S N -0.838 114.777 115.700 -0.141 0.000 2.368 547 S HA -0.117 4.339 4.470 -0.024 0.000 0.224 547 S C 1.916 176.412 174.600 -0.173 0.000 1.029 547 S CA 1.046 59.167 58.200 -0.131 0.000 0.988 547 S CB -0.751 62.372 63.200 -0.128 0.000 0.838 547 S HN 0.155 nan 8.310 nan 0.000 0.462 548 V N 2.007 121.750 119.914 -0.284 0.000 2.407 548 V HA -0.085 4.021 4.120 -0.024 0.000 0.248 548 V C 2.429 178.241 176.094 -0.469 0.000 1.055 548 V CA 1.639 63.669 62.300 -0.451 0.000 1.049 548 V CB -0.798 30.572 31.823 -0.755 0.000 0.662 548 V HN 0.469 nan 8.190 nan 0.000 0.455 549 I N -0.217 120.209 120.570 -0.241 0.000 2.226 549 I HA -0.271 3.885 4.170 -0.024 0.000 0.245 549 I C 2.575 178.693 176.117 0.001 0.000 1.100 549 I CA 1.746 62.992 61.300 -0.089 0.000 1.374 549 I CB -0.331 37.669 38.000 -0.000 0.000 1.057 549 I HN 0.232 nan 8.210 nan 0.000 0.413 550 K N 0.775 121.163 120.400 -0.020 0.000 2.097 550 K HA -0.265 4.040 4.320 -0.024 0.000 0.206 550 K C 2.121 178.756 176.600 0.058 0.000 1.049 550 K CA 1.653 57.951 56.287 0.019 0.000 0.933 550 K CB -0.078 32.418 32.500 -0.007 0.000 0.717 550 K HN 0.298 nan 8.250 nan 0.000 0.442 551 E N -0.551 119.676 120.200 0.044 0.000 2.077 551 E HA -0.202 4.133 4.350 -0.024 0.000 0.193 551 E C 1.460 178.246 176.600 0.310 0.000 0.989 551 E CA 1.204 57.682 56.400 0.130 0.000 0.800 551 E CB -0.053 29.705 29.700 0.095 0.000 0.746 551 E HN 0.398 nan 8.360 nan 0.000 0.452 552 W N 0.052 121.380 121.300 0.046 0.000 2.467 552 W HA 0.149 4.795 4.660 -0.024 0.000 0.275 552 W C 1.965 178.508 176.519 0.041 0.000 1.239 552 W CA 1.030 58.407 57.345 0.053 0.000 1.266 552 W CB -0.591 28.923 29.460 0.090 0.000 1.112 552 W HN 0.141 nan 8.180 nan 0.000 0.576 553 G N -1.053 107.903 108.800 0.261 0.000 3.523 553 G HA2 0.185 4.131 3.960 -0.024 0.000 0.270 553 G HA3 0.185 4.131 3.960 -0.024 0.000 0.270 553 G C 0.651 175.613 174.900 0.103 0.000 1.134 553 G CA 0.844 46.038 45.100 0.157 0.000 0.825 553 G HN 0.176 nan 8.290 nan 0.000 0.534 554 T N -4.891 109.723 114.554 0.100 0.000 3.252 554 T HA 0.351 4.687 4.350 -0.024 0.000 0.295 554 T C 1.204 175.935 174.700 0.051 0.000 0.897 554 T CA 0.680 62.817 62.100 0.061 0.000 0.905 554 T CB 0.570 69.466 68.868 0.046 0.000 1.202 554 T HN 0.205 nan 8.240 nan 0.000 0.592 555 G N 1.381 110.221 108.800 0.067 0.000 2.783 555 G HA2 0.356 4.301 3.960 -0.024 0.000 0.182 555 G HA3 0.356 4.301 3.960 -0.024 0.000 0.182 555 G C 0.765 175.681 174.900 0.026 0.000 1.516 555 G CA -0.783 44.346 45.100 0.048 0.000 1.079 555 G HN 0.256 nan 8.290 nan 0.000 0.573 556 R N -0.040 120.470 120.500 0.017 0.000 2.316 556 R HA -0.004 4.322 4.340 -0.024 0.000 0.202 556 R C 1.489 177.784 176.300 -0.007 0.000 1.029 556 R CA 0.547 56.650 56.100 0.004 0.000 1.018 556 R CB -0.011 30.288 30.300 -0.002 0.000 0.888 556 R HN 0.420 nan 8.270 nan 0.000 0.471 557 D N 0.419 120.819 120.400 -0.000 0.000 2.084 557 D HA -0.069 4.556 4.640 -0.024 0.000 0.199 557 D C 0.388 176.687 176.300 -0.002 0.000 0.981 557 D CA 1.145 55.131 54.000 -0.024 0.000 0.841 557 D CB -0.196 40.597 40.800 -0.012 0.000 0.997 557 D HN -0.039 nan 8.370 nan 0.000 0.454 558 T N 1.145 115.721 114.554 0.037 0.000 3.473 558 T HA -0.205 4.130 4.350 -0.024 0.000 0.403 558 T C 0.324 175.047 174.700 0.039 0.000 0.768 558 T CA 0.100 62.226 62.100 0.044 0.000 2.009 558 T CB -1.547 67.339 68.868 0.029 0.000 1.715 558 T HN 0.112 nan 8.240 nan 0.000 0.666 559 L N 0.433 121.693 121.223 0.062 0.000 2.399 559 L HA 0.435 4.761 4.340 -0.024 0.000 0.266 559 L C 1.151 178.074 176.870 0.088 0.000 1.114 559 L CA -0.871 54.003 54.840 0.057 0.000 0.804 559 L CB 0.615 42.707 42.059 0.055 0.000 1.146 559 L HN 0.215 nan 8.230 nan 0.000 0.451 560 R N 0.885 121.426 120.500 0.069 0.000 2.296 560 R HA 0.269 4.595 4.340 -0.024 0.000 0.323 560 R C -1.037 175.327 176.300 0.106 0.000 1.067 560 R CA -0.385 55.763 56.100 0.079 0.000 0.946 560 R CB 0.268 30.602 30.300 0.057 0.000 0.991 560 R HN 0.509 nan 8.270 nan 0.000 0.448 561 C N 4.707 124.083 119.300 0.127 0.000 2.341 561 C HA 0.517 4.963 4.460 -0.024 0.000 0.338 561 C C 0.075 175.130 174.990 0.107 0.000 1.257 561 C CA -0.727 58.380 59.018 0.148 0.000 1.883 561 C CB 0.224 28.075 27.740 0.185 0.000 2.334 561 C HN 0.688 nan 8.230 nan 0.000 0.524 562 L N 2.745 124.021 121.223 0.087 0.000 2.346 562 L HA 0.703 5.029 4.340 -0.024 0.000 0.274 562 L C 0.326 177.221 176.870 0.042 0.000 1.007 562 L CA -0.290 54.590 54.840 0.067 0.000 0.818 562 L CB 1.425 43.514 42.059 0.050 0.000 1.284 562 L HN 0.772 nan 8.230 nan 0.000 0.424 563 A N 4.022 126.881 122.820 0.064 0.000 2.310 563 A HA 0.777 5.082 4.320 -0.024 0.000 0.299 563 A C -0.694 176.875 177.584 -0.025 0.000 1.147 563 A CA -0.417 51.658 52.037 0.063 0.000 0.818 563 A CB 0.527 19.648 19.000 0.202 0.000 1.096 563 A HN 0.642 nan 8.150 nan 0.000 0.495 564 L N 1.696 122.809 121.223 -0.184 0.000 2.341 564 L HA 0.759 5.084 4.340 -0.024 0.000 0.278 564 L C 0.252 176.962 176.870 -0.267 0.000 1.005 564 L CA -0.360 54.366 54.840 -0.191 0.000 0.818 564 L CB 1.718 43.637 42.059 -0.233 0.000 1.259 564 L HN 0.835 nan 8.230 nan 0.000 0.418 565 A N 1.602 124.367 122.820 -0.092 0.000 2.566 565 A HA 0.862 5.167 4.320 -0.024 0.000 0.292 565 A C -0.692 176.930 177.584 0.063 0.000 1.112 565 A CA -0.519 51.494 52.037 -0.039 0.000 0.707 565 A CB 2.304 21.329 19.000 0.043 0.000 1.302 565 A HN 0.586 nan 8.150 nan 0.000 0.409 566 T N -0.710 113.889 114.554 0.075 0.000 2.893 566 T HA 0.596 4.932 4.350 -0.024 0.000 0.293 566 T C -0.600 174.106 174.700 0.011 0.000 1.027 566 T CA -0.599 61.546 62.100 0.074 0.000 0.988 566 T CB 1.293 70.274 68.868 0.188 0.000 1.043 566 T HN 0.789 nan 8.240 nan 0.000 0.461 567 R N 3.004 123.465 120.500 -0.064 0.000 2.220 567 R HA 0.225 4.550 4.340 -0.024 0.000 0.340 567 R C 0.229 176.454 176.300 -0.125 0.000 1.076 567 R CA -0.430 55.636 56.100 -0.056 0.000 0.920 567 R CB 0.159 30.428 30.300 -0.053 0.000 1.062 567 R HN 0.676 nan 8.270 nan 0.000 0.469 568 D N 1.937 122.284 120.400 -0.088 0.000 2.219 568 D HA -0.075 4.550 4.640 -0.024 0.000 0.205 568 D C -0.106 176.120 176.300 -0.123 0.000 0.970 568 D CA 1.422 55.349 54.000 -0.121 0.000 0.851 568 D CB 0.442 41.163 40.800 -0.131 0.000 0.943 568 D HN 0.434 nan 8.370 nan 0.000 0.488 569 T N 2.817 117.321 114.554 -0.084 0.000 3.327 569 T HA 0.291 4.626 4.350 -0.024 0.000 0.373 569 T C -2.585 172.092 174.700 -0.037 0.000 1.589 569 T CA -1.349 60.714 62.100 -0.060 0.000 1.497 569 T CB 1.946 70.797 68.868 -0.027 0.000 1.032 569 T HN -0.091 nan 8.240 nan 0.000 0.640 570 P HA 0.276 nan 4.420 nan 0.000 0.269 570 P C -2.406 174.930 177.300 0.060 0.000 1.215 570 P CA -1.279 61.798 63.100 -0.039 0.000 0.780 570 P CB -0.274 31.301 31.700 -0.209 0.000 0.898 571 P HA 0.125 nan 4.420 nan 0.000 0.271 571 P C -0.492 176.872 177.300 0.106 0.000 1.244 571 P CA -0.111 63.031 63.100 0.069 0.000 0.793 571 P CB 0.312 32.014 31.700 0.004 0.000 0.984 572 K N 0.898 121.324 120.400 0.045 0.000 2.401 572 K HA 0.071 4.376 4.320 -0.024 0.000 0.278 572 K C 1.580 178.141 176.600 -0.066 0.000 1.018 572 K CA 0.323 56.626 56.287 0.026 0.000 0.981 572 K CB 0.077 32.576 32.500 -0.002 0.000 0.933 572 K HN 0.247 nan 8.250 nan 0.000 0.477 573 R N 1.987 122.402 120.500 -0.142 0.000 2.159 573 R HA -0.282 4.044 4.340 -0.024 0.000 0.252 573 R C 1.185 177.346 176.300 -0.232 0.000 1.144 573 R CA 2.093 58.025 56.100 -0.280 0.000 0.961 573 R CB -0.287 29.857 30.300 -0.261 0.000 0.877 573 R HN 0.594 nan 8.270 nan 0.000 0.444 574 E N 0.484 120.598 120.200 -0.143 0.000 2.338 574 E HA -0.134 4.202 4.350 -0.024 0.000 0.197 574 E C 1.001 177.540 176.600 -0.102 0.000 1.007 574 E CA 0.986 57.318 56.400 -0.113 0.000 0.849 574 E CB 0.045 29.705 29.700 -0.067 0.000 0.774 574 E HN 0.492 nan 8.360 nan 0.000 0.506 575 E N -0.449 119.684 120.200 -0.110 0.000 2.481 575 E HA 0.183 4.519 4.350 -0.024 0.000 0.198 575 E C -0.180 176.338 176.600 -0.138 0.000 1.027 575 E CA -0.121 56.234 56.400 -0.076 0.000 0.900 575 E CB 0.310 29.985 29.700 -0.040 0.000 0.993 575 E HN 0.215 nan 8.360 nan 0.000 0.482 576 M N 1.719 121.161 119.600 -0.263 0.000 2.149 576 M HA 0.191 4.657 4.480 -0.024 0.000 0.342 576 M C -0.518 175.692 176.300 -0.151 0.000 1.068 576 M CA -0.642 54.385 55.300 -0.454 0.000 0.991 576 M CB 2.503 34.704 32.600 -0.666 0.000 1.596 576 M HN -0.156 nan 8.290 nan 0.000 0.439 577 V N 6.787 126.786 119.914 0.142 0.000 2.339 577 V HA 0.215 4.321 4.120 -0.024 0.000 0.261 577 V C 0.508 176.761 176.094 0.265 0.000 1.058 577 V CA -0.028 62.365 62.300 0.155 0.000 0.897 577 V CB 0.085 31.993 31.823 0.143 0.000 1.052 577 V HN 0.966 nan 8.190 nan 0.000 0.480 578 L N 4.588 125.872 121.223 0.101 0.000 2.599 578 L HA 0.206 4.532 4.340 -0.024 0.000 0.230 578 L C 1.248 178.276 176.870 0.264 0.000 1.141 578 L CA 0.727 55.645 54.840 0.130 0.000 0.877 578 L CB -0.157 41.778 42.059 -0.207 0.000 1.009 578 L HN 0.857 nan 8.230 nan 0.000 0.447 579 D N -3.150 117.359 120.400 0.181 0.000 2.501 579 D HA 0.024 4.650 4.640 -0.024 0.000 0.224 579 D C 0.052 176.390 176.300 0.064 0.000 1.202 579 D CA -0.217 53.856 54.000 0.122 0.000 0.829 579 D CB 0.197 41.029 40.800 0.053 0.000 1.023 579 D HN -0.096 nan 8.370 nan 0.000 0.499 580 D N 0.333 120.772 120.400 0.066 0.000 2.375 580 D HA 0.097 4.722 4.640 -0.024 0.000 0.259 580 D C 1.162 177.172 176.300 -0.482 0.000 1.235 580 D CA -0.284 53.651 54.000 -0.109 0.000 0.924 580 D CB 1.268 42.046 40.800 -0.035 0.000 1.143 580 D HN -0.035 nan 8.370 nan 0.000 0.529 581 S N 1.315 116.517 115.700 -0.830 0.000 2.419 581 S HA -0.227 4.229 4.470 -0.024 0.000 0.235 581 S C 1.906 175.908 174.600 -0.998 0.000 1.019 581 S CA 1.347 58.507 58.200 -1.733 0.000 0.982 581 S CB -0.398 62.305 63.200 -0.829 0.000 0.789 581 S HN 0.374 nan 8.310 nan 0.000 0.490 582 S N 2.103 117.504 115.700 -0.498 0.000 2.469 582 S HA -0.019 4.437 4.470 -0.024 0.000 0.238 582 S C 1.742 176.187 174.600 -0.260 0.000 0.998 582 S CA 0.266 58.290 58.200 -0.293 0.000 0.957 582 S CB -0.461 62.627 63.200 -0.187 0.000 0.764 582 S HN 0.520 nan 8.310 nan 0.000 0.514 583 R N 0.257 120.582 120.500 -0.292 0.000 2.276 583 R HA 0.284 4.610 4.340 -0.024 0.000 0.196 583 R C 1.574 177.671 176.300 -0.338 0.000 0.961 583 R CA 0.245 56.168 56.100 -0.295 0.000 1.024 583 R CB -0.894 29.298 30.300 -0.180 0.000 0.940 583 R HN 0.609 nan 8.270 nan 0.000 0.480 584 F N 0.858 120.663 119.950 -0.242 0.000 2.186 584 F HA -0.130 4.383 4.527 -0.024 0.000 0.299 584 F C 2.592 178.320 175.800 -0.121 0.000 1.090 584 F CA 0.422 58.360 58.000 -0.104 0.000 1.307 584 F CB -0.275 38.746 39.000 0.035 0.000 1.019 584 F HN -0.019 nan 8.300 nan 0.000 0.489 585 M N 0.874 120.504 119.600 0.049 0.000 2.082 585 M HA -0.277 4.189 4.480 -0.024 0.000 0.258 585 M C 2.159 178.448 176.300 -0.020 0.000 1.069 585 M CA 2.001 57.306 55.300 0.009 0.000 1.102 585 M CB -0.183 32.399 32.600 -0.030 0.000 1.336 585 M HN -0.008 nan 8.290 nan 0.000 0.404 586 E N -0.043 120.082 120.200 -0.126 0.000 2.085 586 E HA -0.209 4.127 4.350 -0.024 0.000 0.194 586 E C 1.485 178.104 176.600 0.031 0.000 0.994 586 E CA 1.988 58.328 56.400 -0.099 0.000 0.801 586 E CB -0.610 28.976 29.700 -0.190 0.000 0.743 586 E HN 0.712 nan 8.360 nan 0.000 0.453 587 Y N 0.742 121.105 120.300 0.106 0.000 2.421 587 Y HA 0.091 4.626 4.550 -0.024 0.000 0.292 587 Y C 0.965 176.906 175.900 0.070 0.000 1.136 587 Y CA 0.848 59.004 58.100 0.094 0.000 1.255 587 Y CB -0.213 38.311 38.460 0.107 0.000 0.991 587 Y HN 0.137 nan 8.280 nan 0.000 0.552 588 E N 0.718 121.033 120.200 0.190 0.000 2.434 588 E HA 0.137 4.473 4.350 -0.024 0.000 0.243 588 E C 0.170 176.826 176.600 0.094 0.000 1.250 588 E CA -0.130 56.345 56.400 0.124 0.000 1.568 588 E CB 0.004 29.768 29.700 0.106 0.000 1.435 588 E HN 0.281 nan 8.360 nan 0.000 0.432 589 T N -3.218 111.395 114.554 0.099 0.000 2.910 589 T HA 0.275 4.611 4.350 -0.024 0.000 0.287 589 T C 0.250 175.006 174.700 0.093 0.000 1.050 589 T CA -0.742 61.406 62.100 0.080 0.000 1.011 589 T CB 1.509 70.416 68.868 0.064 0.000 1.195 589 T HN -0.018 nan 8.240 nan 0.000 0.540 590 D N -0.278 120.174 120.400 0.087 0.000 2.772 590 D HA -0.128 4.497 4.640 -0.024 0.000 0.233 590 D C -0.288 176.121 176.300 0.182 0.000 1.143 590 D CA 0.478 54.553 54.000 0.125 0.000 0.700 590 D CB -1.607 39.277 40.800 0.141 0.000 1.076 590 D HN 0.642 nan 8.370 nan 0.000 0.430 591 L N -0.701 120.612 121.223 0.151 0.000 2.468 591 L HA 0.414 4.740 4.340 -0.024 0.000 0.254 591 L C 1.192 178.210 176.870 0.247 0.000 1.171 591 L CA -0.255 54.682 54.840 0.161 0.000 0.809 591 L CB 0.882 43.016 42.059 0.125 0.000 1.155 591 L HN -0.085 nan 8.230 nan 0.000 0.473 592 T N 1.149 115.826 114.554 0.205 0.000 2.772 592 T HA 0.293 4.629 4.350 -0.024 0.000 0.288 592 T C -0.495 174.322 174.700 0.194 0.000 0.994 592 T CA -0.294 61.947 62.100 0.236 0.000 0.951 592 T CB 0.465 69.418 68.868 0.141 0.000 0.933 592 T HN 0.249 nan 8.240 nan 0.000 0.447 593 F N 4.416 124.426 119.950 0.100 0.000 2.538 593 F HA 0.279 4.792 4.527 -0.024 0.000 0.371 593 F C 0.789 176.622 175.800 0.055 0.000 1.087 593 F CA 0.122 58.159 58.000 0.063 0.000 1.250 593 F CB 0.550 39.581 39.000 0.051 0.000 1.110 593 F HN 0.345 nan 8.300 nan 0.000 0.570 594 V N 4.539 123.954 119.914 -0.833 0.000 2.721 594 V HA 0.476 4.581 4.120 -0.024 0.000 0.236 594 V C 1.033 176.674 176.094 -0.754 0.000 1.116 594 V CA 0.762 62.732 62.300 -0.549 0.000 1.148 594 V CB -0.075 31.563 31.823 -0.308 0.000 0.886 594 V HN 1.012 nan 8.190 nan 0.000 0.490 595 G N -0.966 107.142 108.800 -1.153 0.000 2.548 595 G HA2 0.556 4.501 3.960 -0.024 0.000 0.301 595 G HA3 0.556 4.501 3.960 -0.024 0.000 0.301 595 G C -2.237 172.267 174.900 -0.660 0.000 1.349 595 G CA -0.229 44.453 45.100 -0.697 0.000 0.792 595 G HN -0.016 nan 8.290 nan 0.000 0.481 596 V N -0.262 119.253 119.914 -0.664 0.000 2.925 596 V HA 0.775 4.880 4.120 -0.024 0.000 0.311 596 V C -0.170 175.830 176.094 -0.157 0.000 1.104 596 V CA -0.639 61.404 62.300 -0.429 0.000 0.954 596 V CB 1.873 33.309 31.823 -0.644 0.000 1.022 596 V HN 1.324 nan 8.190 nan 0.000 0.427 597 V N 0.571 120.487 119.914 0.004 0.000 2.823 597 V HA 1.055 5.161 4.120 -0.024 0.000 0.312 597 V C 0.058 176.252 176.094 0.166 0.000 1.072 597 V CA -0.511 61.848 62.300 0.098 0.000 0.937 597 V CB 1.771 33.607 31.823 0.022 0.000 1.013 597 V HN 1.050 nan 8.190 nan 0.000 0.430 598 G N 4.754 113.651 108.800 0.161 0.000 2.626 598 G HA2 0.693 4.639 3.960 -0.024 0.000 0.304 598 G HA3 0.693 4.639 3.960 -0.024 0.000 0.304 598 G C -0.755 174.154 174.900 0.015 0.000 1.385 598 G CA -0.807 44.370 45.100 0.128 0.000 0.957 598 G HN 1.216 nan 8.290 nan 0.000 0.504 599 M N 2.227 121.843 119.600 0.026 0.000 2.644 599 M HA 0.913 5.379 4.480 -0.024 0.000 0.304 599 M C -1.123 175.172 176.300 -0.008 0.000 1.215 599 M CA -1.074 54.225 55.300 -0.002 0.000 0.871 599 M CB 2.641 35.251 32.600 0.016 0.000 1.740 599 M HN 0.528 nan 8.290 nan 0.000 0.464 600 L N -0.564 120.642 121.223 -0.028 0.000 2.568 600 L HA 0.702 5.028 4.340 -0.024 0.000 0.257 600 L C -1.767 175.075 176.870 -0.047 0.000 1.024 600 L CA -0.858 53.963 54.840 -0.032 0.000 0.854 600 L CB 2.269 44.302 42.059 -0.044 0.000 1.460 600 L HN 0.805 nan 8.230 nan 0.000 0.409 601 D N 3.023 123.396 120.400 -0.045 0.000 2.393 601 D HA 0.448 5.074 4.640 -0.024 0.000 0.232 601 D C -2.427 173.828 176.300 -0.075 0.000 1.192 601 D CA -1.638 52.323 54.000 -0.064 0.000 0.882 601 D CB 0.956 41.729 40.800 -0.045 0.000 1.038 601 D HN 0.387 nan 8.370 nan 0.000 0.499 602 P HA 0.318 nan 4.420 nan 0.000 0.281 602 P C -2.730 174.513 177.300 -0.094 0.000 1.249 602 P CA -1.866 61.180 63.100 -0.089 0.000 0.810 602 P CB 0.292 31.936 31.700 -0.092 0.000 1.008 603 P HA 0.129 nan 4.420 nan 0.000 0.268 603 P C 0.095 177.332 177.300 -0.104 0.000 1.205 603 P CA 0.131 63.161 63.100 -0.115 0.000 0.771 603 P CB 0.394 32.023 31.700 -0.118 0.000 0.858 604 R N 2.473 122.906 120.500 -0.112 0.000 2.698 604 R HA -0.041 4.285 4.340 -0.024 0.000 0.266 604 R C 1.924 178.182 176.300 -0.070 0.000 1.026 604 R CA 0.074 56.127 56.100 -0.080 0.000 1.102 604 R CB 0.196 30.457 30.300 -0.066 0.000 0.978 604 R HN 0.569 nan 8.270 nan 0.000 0.436 605 K N 2.192 122.568 120.400 -0.040 0.000 2.097 605 K HA -0.176 4.130 4.320 -0.024 0.000 0.206 605 K C 0.885 177.473 176.600 -0.021 0.000 1.049 605 K CA 1.574 57.843 56.287 -0.031 0.000 0.933 605 K CB 0.052 32.542 32.500 -0.017 0.000 0.717 605 K HN 0.630 nan 8.250 nan 0.000 0.442 606 E N 1.597 121.796 120.200 -0.000 0.000 2.489 606 E HA -0.002 4.334 4.350 -0.024 0.000 0.193 606 E C 1.851 178.471 176.600 0.034 0.000 1.057 606 E CA 0.200 56.617 56.400 0.028 0.000 0.866 606 E CB -0.097 29.639 29.700 0.061 0.000 0.916 606 E HN 0.160 nan 8.360 nan 0.000 0.500 607 V N 1.578 121.464 119.914 -0.048 0.000 2.307 607 V HA -0.239 3.867 4.120 -0.024 0.000 0.245 607 V C 2.613 178.657 176.094 -0.083 0.000 1.045 607 V CA 1.974 64.182 62.300 -0.154 0.000 1.024 607 V CB -0.564 31.025 31.823 -0.389 0.000 0.651 607 V HN 0.243 nan 8.190 nan 0.000 0.449 608 M N 0.396 119.952 119.600 -0.073 0.000 2.080 608 M HA -0.168 4.298 4.480 -0.024 0.000 0.260 608 M C 2.064 178.356 176.300 -0.013 0.000 1.068 608 M CA 2.434 57.704 55.300 -0.050 0.000 1.109 608 M CB -0.640 31.933 32.600 -0.045 0.000 1.342 608 M HN 0.438 nan 8.290 nan 0.000 0.405 609 G N -1.323 107.479 108.800 0.003 0.000 2.422 609 G HA2 -0.162 3.783 3.960 -0.024 0.000 0.218 609 G HA3 -0.162 3.783 3.960 -0.024 0.000 0.218 609 G C 1.423 176.346 174.900 0.039 0.000 1.140 609 G CA 1.052 46.162 45.100 0.017 0.000 0.775 609 G HN 0.514 nan 8.290 nan 0.000 0.545 610 S N 0.430 116.176 115.700 0.077 0.000 2.371 610 S HA -0.006 4.449 4.470 -0.024 0.000 0.224 610 S C 2.292 176.958 174.600 0.110 0.000 1.029 610 S CA 0.493 58.770 58.200 0.128 0.000 0.978 610 S CB -0.094 63.293 63.200 0.311 0.000 0.833 610 S HN 0.244 nan 8.310 nan 0.000 0.466 611 I N 1.771 122.392 120.570 0.085 0.000 2.179 611 I HA -0.169 3.987 4.170 -0.024 0.000 0.242 611 I C 2.663 178.794 176.117 0.024 0.000 1.088 611 I CA 1.455 62.785 61.300 0.050 0.000 1.357 611 I CB -1.376 36.618 38.000 -0.009 0.000 1.051 611 I HN 0.309 nan 8.210 nan 0.000 0.409 612 Q N 1.316 121.125 119.800 0.014 0.000 2.096 612 Q HA -0.149 4.177 4.340 -0.024 0.000 0.204 612 Q C 2.248 178.254 176.000 0.010 0.000 0.982 612 Q CA 1.647 57.455 55.803 0.007 0.000 0.850 612 Q CB -0.473 28.268 28.738 0.004 0.000 0.901 612 Q HN 0.507 nan 8.270 nan 0.000 0.422 613 L N -0.863 120.370 121.223 0.017 0.000 2.042 613 L HA -0.260 4.066 4.340 -0.024 0.000 0.210 613 L C 2.549 179.424 176.870 0.008 0.000 1.076 613 L CA 1.115 55.962 54.840 0.011 0.000 0.749 613 L CB -0.622 41.445 42.059 0.013 0.000 0.893 613 L HN 0.355 nan 8.230 nan 0.000 0.432 614 C N -0.580 118.729 119.300 0.015 0.000 2.413 614 C HA -0.192 4.253 4.460 -0.024 0.000 0.276 614 C C 3.035 178.027 174.990 0.002 0.000 1.248 614 C CA 0.985 60.008 59.018 0.009 0.000 1.742 614 C CB -0.957 26.797 27.740 0.023 0.000 2.017 614 C HN 0.480 nan 8.230 nan 0.000 0.481 615 R N 0.903 121.406 120.500 0.004 0.000 2.081 615 R HA -0.136 4.189 4.340 -0.024 0.000 0.235 615 R C 1.602 177.901 176.300 -0.002 0.000 1.131 615 R CA 1.926 58.026 56.100 -0.000 0.000 0.960 615 R CB -0.397 29.903 30.300 -0.000 0.000 0.856 615 R HN 0.469 nan 8.270 nan 0.000 0.436 616 D N 0.214 120.613 120.400 -0.001 0.000 2.221 616 D HA -0.135 4.491 4.640 -0.024 0.000 0.204 616 D C 1.115 177.411 176.300 -0.006 0.000 0.982 616 D CA 1.454 55.452 54.000 -0.003 0.000 0.857 616 D CB -0.033 40.767 40.800 -0.001 0.000 0.934 616 D HN 0.396 nan 8.370 nan 0.000 0.475 617 A N -0.398 122.417 122.820 -0.008 0.000 2.337 617 A HA 0.468 4.774 4.320 -0.024 0.000 0.227 617 A C 1.591 179.164 177.584 -0.017 0.000 1.259 617 A CA 0.639 52.668 52.037 -0.014 0.000 0.870 617 A CB -0.299 18.691 19.000 -0.017 0.000 0.927 617 A HN 0.178 nan 8.150 nan 0.000 0.497 618 G N -0.194 108.598 108.800 -0.013 0.000 2.198 618 G HA2 -0.240 3.705 3.960 -0.024 0.000 0.260 618 G HA3 -0.240 3.705 3.960 -0.024 0.000 0.260 618 G C -0.016 174.875 174.900 -0.016 0.000 1.025 618 G CA 0.562 45.653 45.100 -0.015 0.000 0.769 618 G HN 0.573 nan 8.290 nan 0.000 0.507 619 I N 0.398 120.961 120.570 -0.013 0.000 2.339 619 I HA 0.360 4.515 4.170 -0.024 0.000 0.290 619 I C 0.991 177.107 176.117 -0.003 0.000 0.994 619 I CA -0.914 60.379 61.300 -0.011 0.000 1.191 619 I CB 1.182 39.174 38.000 -0.014 0.000 1.343 619 I HN -0.031 nan 8.210 nan 0.000 0.458 620 R N 4.431 124.931 120.500 -0.000 0.000 2.491 620 R HA 0.400 4.725 4.340 -0.024 0.000 0.283 620 R C -0.888 175.419 176.300 0.011 0.000 1.072 620 R CA -0.312 55.791 56.100 0.005 0.000 1.048 620 R CB 1.355 31.662 30.300 0.010 0.000 0.983 620 R HN 0.378 nan 8.270 nan 0.000 0.450 621 V N 6.108 126.024 119.914 0.004 0.000 2.384 621 V HA 0.376 4.482 4.120 -0.024 0.000 0.287 621 V C 0.230 176.317 176.094 -0.011 0.000 1.020 621 V CA -0.534 61.773 62.300 0.011 0.000 0.850 621 V CB 1.557 33.391 31.823 0.018 0.000 0.987 621 V HN 0.599 nan 8.190 nan 0.000 0.436 622 I N 5.416 126.000 120.570 0.023 0.000 2.355 622 I HA 0.412 4.568 4.170 -0.024 0.000 0.288 622 I C 0.093 176.236 176.117 0.044 0.000 0.999 622 I CA -0.303 61.026 61.300 0.048 0.000 1.163 622 I CB 1.620 39.693 38.000 0.121 0.000 1.316 622 I HN 0.589 nan 8.210 nan 0.000 0.454 623 M N 7.993 127.594 119.600 0.002 0.000 2.162 623 M HA 0.456 4.921 4.480 -0.024 0.000 0.356 623 M C -1.290 175.064 176.300 0.089 0.000 1.303 623 M CA 0.252 55.555 55.300 0.005 0.000 1.116 623 M CB 0.458 33.018 32.600 -0.066 0.000 1.632 623 M HN 0.490 nan 8.290 nan 0.000 0.469 624 I N 4.596 125.208 120.570 0.070 0.000 2.439 624 I HA 0.336 4.491 4.170 -0.024 0.000 0.283 624 I C -0.488 175.653 176.117 0.039 0.000 1.023 624 I CA -0.434 60.915 61.300 0.081 0.000 1.100 624 I CB 2.014 40.031 38.000 0.028 0.000 1.238 624 I HN 0.632 nan 8.210 nan 0.000 0.445 625 T N 2.728 117.307 114.554 0.042 0.000 2.909 625 T HA 0.444 4.780 4.350 -0.024 0.000 0.299 625 T C 1.003 175.712 174.700 0.016 0.000 1.073 625 T CA -0.195 61.916 62.100 0.018 0.000 0.999 625 T CB 1.797 70.670 68.868 0.008 0.000 1.098 625 T HN 0.708 nan 8.240 nan 0.000 0.477 626 G N 2.273 111.076 108.800 0.006 0.000 2.471 626 G HA2 0.010 3.956 3.960 -0.024 0.000 0.219 626 G HA3 0.010 3.956 3.960 -0.024 0.000 0.219 626 G C 0.616 175.519 174.900 0.005 0.000 1.125 626 G CA 0.208 45.310 45.100 0.003 0.000 0.775 626 G HN 0.716 nan 8.290 nan 0.000 0.548 627 D N 0.165 120.568 120.400 0.005 0.000 2.372 627 D HA 0.060 4.686 4.640 -0.024 0.000 0.243 627 D C 0.334 176.641 176.300 0.012 0.000 1.297 627 D CA -0.363 53.641 54.000 0.007 0.000 0.958 627 D CB 0.357 41.158 40.800 0.003 0.000 1.114 627 D HN -0.061 nan 8.370 nan 0.000 0.496 628 N N 0.863 119.571 118.700 0.014 0.000 2.483 628 N HA 0.003 4.729 4.740 -0.024 0.000 0.269 628 N C 0.904 176.422 175.510 0.014 0.000 1.209 628 N CA -0.309 52.751 53.050 0.017 0.000 0.969 628 N CB 1.128 39.628 38.487 0.021 0.000 1.173 628 N HN 0.375 nan 8.380 nan 0.000 0.475 629 K N 1.257 121.665 120.400 0.013 0.000 2.009 629 K HA -0.148 4.158 4.320 -0.024 0.000 0.210 629 K C 1.788 178.392 176.600 0.007 0.000 1.049 629 K CA 1.695 57.986 56.287 0.006 0.000 0.929 629 K CB -0.591 31.905 32.500 -0.006 0.000 0.714 629 K HN 0.701 nan 8.250 nan 0.000 0.440 630 G N 0.194 108.998 108.800 0.007 0.000 2.529 630 G HA2 -0.307 3.639 3.960 -0.024 0.000 0.219 630 G HA3 -0.307 3.639 3.960 -0.024 0.000 0.219 630 G C 1.470 176.379 174.900 0.015 0.000 1.177 630 G CA 1.738 46.843 45.100 0.010 0.000 0.773 630 G HN 0.355 nan 8.290 nan 0.000 0.573 631 T N 1.596 116.159 114.554 0.015 0.000 2.708 631 T HA 0.050 4.386 4.350 -0.024 0.000 0.266 631 T C 2.837 177.541 174.700 0.007 0.000 1.037 631 T CA 1.656 63.762 62.100 0.010 0.000 1.146 631 T CB -0.495 68.377 68.868 0.007 0.000 0.865 631 T HN 0.415 nan 8.240 nan 0.000 0.435 632 A N 1.270 124.096 122.820 0.009 0.000 1.892 632 A HA -0.098 4.208 4.320 -0.024 0.000 0.218 632 A C 2.298 179.899 177.584 0.029 0.000 1.188 632 A CA 1.519 53.560 52.037 0.007 0.000 0.631 632 A CB -0.888 18.119 19.000 0.013 0.000 0.822 632 A HN 0.537 nan 8.150 nan 0.000 0.447 633 I N -0.444 120.165 120.570 0.065 0.000 2.252 633 I HA -0.258 3.897 4.170 -0.024 0.000 0.245 633 I C 2.973 179.156 176.117 0.111 0.000 1.102 633 I CA 0.999 62.386 61.300 0.144 0.000 1.385 633 I CB -0.372 37.686 38.000 0.096 0.000 1.064 633 I HN 0.363 nan 8.210 nan 0.000 0.414 634 A N 1.089 123.939 122.820 0.049 0.000 1.902 634 A HA -0.174 4.131 4.320 -0.024 0.000 0.217 634 A C 2.234 179.824 177.584 0.011 0.000 1.181 634 A CA 1.405 53.460 52.037 0.029 0.000 0.623 634 A CB -0.585 18.422 19.000 0.012 0.000 0.818 634 A HN 0.320 nan 8.150 nan 0.000 0.443 635 I N -0.328 120.237 120.570 -0.008 0.000 2.394 635 I HA -0.213 3.943 4.170 -0.024 0.000 0.251 635 I C 2.462 178.542 176.117 -0.062 0.000 1.136 635 I CA 0.834 62.108 61.300 -0.043 0.000 1.425 635 I CB -1.620 36.345 38.000 -0.059 0.000 1.079 635 I HN 0.359 nan 8.210 nan 0.000 0.425 636 C N 0.685 119.955 119.300 -0.051 0.000 2.422 636 C HA -0.124 4.322 4.460 -0.024 0.000 0.279 636 C C 2.916 177.873 174.990 -0.055 0.000 1.305 636 C CA 0.652 59.586 59.018 -0.139 0.000 1.757 636 C CB -0.986 26.586 27.740 -0.279 0.000 1.962 636 C HN 0.452 nan 8.230 nan 0.000 0.499 637 R N 0.234 120.763 120.500 0.050 0.000 2.075 637 R HA 0.004 4.330 4.340 -0.024 0.000 0.226 637 R C 2.419 178.720 176.300 0.002 0.000 1.114 637 R CA 0.728 56.865 56.100 0.061 0.000 0.972 637 R CB -0.311 30.037 30.300 0.081 0.000 0.869 637 R HN 0.545 nan 8.270 nan 0.000 0.437 638 R N 1.149 121.637 120.500 -0.020 0.000 2.091 638 R HA -0.114 4.212 4.340 -0.024 0.000 0.238 638 R C 2.267 178.534 176.300 -0.055 0.000 1.136 638 R CA 1.713 57.789 56.100 -0.040 0.000 0.959 638 R CB -0.390 29.879 30.300 -0.052 0.000 0.856 638 R HN 0.376 nan 8.270 nan 0.000 0.437 639 I N -3.384 117.140 120.570 -0.077 0.000 3.883 639 I HA 0.342 4.497 4.170 -0.024 0.000 0.326 639 I C 0.666 176.732 176.117 -0.085 0.000 1.283 639 I CA 0.509 61.751 61.300 -0.096 0.000 1.161 639 I CB 0.512 38.425 38.000 -0.145 0.000 1.012 639 I HN 0.225 nan 8.210 nan 0.000 0.421 640 G N 2.207 110.967 108.800 -0.066 0.000 2.147 640 G HA2 -0.277 3.669 3.960 -0.024 0.000 0.244 640 G HA3 -0.277 3.669 3.960 -0.024 0.000 0.244 640 G C 0.620 175.472 174.900 -0.080 0.000 1.005 640 G CA 0.578 45.650 45.100 -0.047 0.000 0.713 640 G HN 0.542 nan 8.290 nan 0.000 0.515 641 I N -1.119 119.349 120.570 -0.170 0.000 2.353 641 I HA 0.162 4.317 4.170 -0.024 0.000 0.248 641 I C 1.260 177.189 176.117 -0.313 0.000 1.119 641 I CA 0.987 62.110 61.300 -0.295 0.000 1.417 641 I CB -0.069 37.644 38.000 -0.479 0.000 1.078 641 I HN 0.249 nan 8.210 nan 0.000 0.421 642 F N -0.413 119.516 119.950 -0.035 0.000 2.556 642 F HA 0.532 5.045 4.527 -0.024 0.000 0.327 642 F C 0.978 176.758 175.800 -0.033 0.000 1.059 642 F CA -1.213 56.765 58.000 -0.036 0.000 0.953 642 F CB 1.009 39.981 39.000 -0.046 0.000 1.227 642 F HN -0.218 nan 8.300 nan 0.000 0.478 643 G N 0.278 109.194 108.800 0.194 0.000 2.606 643 G HA2 0.145 4.091 3.960 -0.024 0.000 0.252 643 G HA3 0.145 4.091 3.960 -0.024 0.000 0.252 643 G C 0.399 175.341 174.900 0.069 0.000 1.206 643 G CA -0.389 44.764 45.100 0.088 0.000 0.861 643 G HN 0.827 nan 8.290 nan 0.000 0.561 644 E N -0.130 120.091 120.200 0.035 0.000 2.204 644 E HA -0.139 4.197 4.350 -0.024 0.000 0.195 644 E C 1.200 177.803 176.600 0.004 0.000 0.990 644 E CA 1.154 57.567 56.400 0.021 0.000 0.821 644 E CB 0.218 29.924 29.700 0.009 0.000 0.750 644 E HN 0.514 nan 8.360 nan 0.000 0.477 645 N N 0.446 119.142 118.700 -0.007 0.000 2.160 645 N HA -0.010 4.716 4.740 -0.024 0.000 0.226 645 N C -0.511 174.967 175.510 -0.054 0.000 1.256 645 N CA -0.091 52.941 53.050 -0.029 0.000 0.890 645 N CB 0.641 39.114 38.487 -0.023 0.000 1.116 645 N HN -0.006 nan 8.380 nan 0.000 0.517 646 E N 0.872 121.040 120.200 -0.054 0.000 2.442 646 E HA -0.097 4.239 4.350 -0.024 0.000 0.262 646 E C -0.563 175.926 176.600 -0.185 0.000 1.004 646 E CA 0.158 56.501 56.400 -0.094 0.000 0.928 646 E CB 0.472 30.135 29.700 -0.062 0.000 0.937 646 E HN 0.123 nan 8.360 nan 0.000 0.446 647 E N 3.270 123.365 120.200 -0.176 0.000 2.229 647 E HA 0.078 4.414 4.350 -0.024 0.000 0.283 647 E C -0.044 176.372 176.600 -0.307 0.000 1.030 647 E CA -0.131 56.148 56.400 -0.201 0.000 0.836 647 E CB 1.507 31.126 29.700 -0.134 0.000 1.068 647 E HN 0.455 nan 8.360 nan 0.000 0.401 648 V N 1.681 121.367 119.914 -0.381 0.000 3.176 648 V HA 0.333 4.439 4.120 -0.024 0.000 0.332 648 V C 1.462 177.332 176.094 -0.373 0.000 1.414 648 V CA 0.439 62.430 62.300 -0.516 0.000 1.133 648 V CB 0.141 31.456 31.823 -0.847 0.000 1.088 648 V HN 0.559 nan 8.190 nan 0.000 0.473 649 A N 2.467 125.124 122.820 -0.271 0.000 1.927 649 A HA -0.246 4.060 4.320 -0.024 0.000 0.220 649 A C 1.633 179.038 177.584 -0.298 0.000 1.185 649 A CA 2.510 54.404 52.037 -0.238 0.000 0.639 649 A CB -0.510 18.398 19.000 -0.153 0.000 0.820 649 A HN 0.860 nan 8.150 nan 0.000 0.451 650 D N -2.976 117.281 120.400 -0.238 0.000 2.623 650 D HA 0.220 4.845 4.640 -0.024 0.000 0.252 650 D C 0.903 177.135 176.300 -0.113 0.000 1.294 650 D CA -0.186 53.712 54.000 -0.170 0.000 0.824 650 D CB -0.110 40.698 40.800 0.013 0.000 1.070 650 D HN 0.461 nan 8.370 nan 0.000 0.487 651 R N -0.349 119.998 120.500 -0.256 0.000 2.509 651 R HA 0.526 4.852 4.340 -0.024 0.000 0.297 651 R C -0.176 176.039 176.300 -0.141 0.000 0.951 651 R CA 0.017 56.056 56.100 -0.102 0.000 1.103 651 R CB 1.524 31.757 30.300 -0.112 0.000 1.283 651 R HN 0.135 nan 8.270 nan 0.000 0.534 652 A N 0.484 123.056 122.820 -0.414 0.000 2.455 652 A HA 0.706 5.011 4.320 -0.024 0.000 0.300 652 A C -1.669 175.547 177.584 -0.612 0.000 1.040 652 A CA -0.464 51.358 52.037 -0.357 0.000 0.697 652 A CB 0.994 19.889 19.000 -0.175 0.000 1.265 652 A HN 0.140 nan 8.150 nan 0.000 0.407 653 Y N 0.161 120.305 120.300 -0.260 0.000 2.504 653 Y HA 0.536 5.072 4.550 -0.024 0.000 0.344 653 Y C 0.885 176.772 175.900 -0.021 0.000 1.023 653 Y CA -0.351 57.696 58.100 -0.089 0.000 1.020 653 Y CB 2.349 40.829 38.460 0.033 0.000 1.282 653 Y HN 0.812 nan 8.280 nan 0.000 0.454 654 T N -1.931 112.731 114.554 0.180 0.000 2.868 654 T HA 0.296 4.632 4.350 -0.024 0.000 0.292 654 T C 1.358 176.131 174.700 0.122 0.000 1.028 654 T CA -0.066 62.100 62.100 0.109 0.000 1.059 654 T CB 1.377 70.289 68.868 0.074 0.000 0.991 654 T HN 0.891 nan 8.240 nan 0.000 0.531 655 G N 0.544 109.299 108.800 -0.075 0.000 2.469 655 G HA2 -0.237 3.709 3.960 -0.024 0.000 0.219 655 G HA3 -0.237 3.709 3.960 -0.024 0.000 0.219 655 G C 1.626 176.488 174.900 -0.064 0.000 1.150 655 G CA 0.420 45.280 45.100 -0.400 0.000 0.763 655 G HN 0.761 nan 8.290 nan 0.000 0.561 656 R N 0.336 120.856 120.500 0.035 0.000 2.081 656 R HA -0.071 4.255 4.340 -0.024 0.000 0.235 656 R C 2.567 178.958 176.300 0.151 0.000 1.131 656 R CA 1.666 57.833 56.100 0.112 0.000 0.960 656 R CB -0.255 30.100 30.300 0.091 0.000 0.856 656 R HN 0.503 nan 8.270 nan 0.000 0.436 657 E N -0.661 119.650 120.200 0.186 0.000 2.072 657 E HA -0.198 4.137 4.350 -0.024 0.000 0.191 657 E C 1.695 178.446 176.600 0.252 0.000 0.985 657 E CA 1.258 57.797 56.400 0.231 0.000 0.801 657 E CB -0.213 29.674 29.700 0.312 0.000 0.750 657 E HN 0.278 nan 8.360 nan 0.000 0.452 658 F N 2.007 122.022 119.950 0.109 0.000 2.126 658 F HA -0.253 4.260 4.527 -0.024 0.000 0.299 658 F C 1.732 177.561 175.800 0.049 0.000 1.096 658 F CA 1.452 59.464 58.000 0.020 0.000 1.255 658 F CB 0.124 39.175 39.000 0.085 0.000 0.997 658 F HN -0.065 nan 8.300 nan 0.000 0.479 659 D N 0.264 120.770 120.400 0.177 0.000 2.144 659 D HA -0.176 4.449 4.640 -0.024 0.000 0.199 659 D C 1.694 177.993 176.300 -0.002 0.000 0.984 659 D CA 1.348 55.406 54.000 0.096 0.000 0.834 659 D CB -0.518 40.406 40.800 0.207 0.000 0.955 659 D HN 0.337 nan 8.370 nan 0.000 0.465 660 D N -0.098 120.316 120.400 0.024 0.000 2.350 660 D HA -0.000 4.625 4.640 -0.024 0.000 0.216 660 D C 0.569 176.845 176.300 -0.039 0.000 0.968 660 D CA 0.150 54.156 54.000 0.010 0.000 0.894 660 D CB 0.102 40.930 40.800 0.046 0.000 0.909 660 D HN 0.231 nan 8.370 nan 0.000 0.520 661 L N 1.399 122.552 121.223 -0.117 0.000 2.397 661 L HA 0.221 4.547 4.340 -0.024 0.000 0.271 661 L C -1.912 174.859 176.870 -0.166 0.000 1.148 661 L CA -1.802 52.942 54.840 -0.160 0.000 0.825 661 L CB 0.406 42.294 42.059 -0.284 0.000 1.117 661 L HN -0.240 nan 8.230 nan 0.000 0.456 662 P HA -0.035 nan 4.420 nan 0.000 0.267 662 P C 0.629 177.845 177.300 -0.140 0.000 1.201 662 P CA -0.342 62.700 63.100 -0.097 0.000 0.775 662 P CB 0.530 32.188 31.700 -0.069 0.000 0.854 663 L N 2.348 123.512 121.223 -0.098 0.000 2.043 663 L HA -0.255 4.071 4.340 -0.024 0.000 0.212 663 L C 2.371 179.143 176.870 -0.164 0.000 1.075 663 L CA 2.593 57.378 54.840 -0.092 0.000 0.752 663 L CB -1.771 40.286 42.059 -0.004 0.000 0.891 663 L HN 0.455 nan 8.230 nan 0.000 0.432 664 A N -1.578 121.170 122.820 -0.120 0.000 2.015 664 A HA -0.131 4.175 4.320 -0.024 0.000 0.219 664 A C 2.238 179.735 177.584 -0.145 0.000 1.163 664 A CA 1.208 53.175 52.037 -0.116 0.000 0.646 664 A CB -0.278 18.686 19.000 -0.060 0.000 0.806 664 A HN 0.395 nan 8.150 nan 0.000 0.448 665 E N -0.134 119.970 120.200 -0.161 0.000 2.112 665 E HA -0.131 4.205 4.350 -0.024 0.000 0.190 665 E C 2.159 178.615 176.600 -0.240 0.000 0.979 665 E CA 0.803 57.114 56.400 -0.149 0.000 0.814 665 E CB -0.331 29.297 29.700 -0.121 0.000 0.762 665 E HN 0.743 nan 8.360 nan 0.000 0.460 666 Q N 0.446 119.996 119.800 -0.417 0.000 2.077 666 Q HA -0.199 4.126 4.340 -0.024 0.000 0.206 666 Q C 2.321 177.969 176.000 -0.588 0.000 0.989 666 Q CA 1.585 56.988 55.803 -0.667 0.000 0.853 666 Q CB -0.202 28.010 28.738 -0.877 0.000 0.907 666 Q HN 0.093 nan 8.270 nan 0.000 0.418 667 R N 0.503 120.558 120.500 -0.742 0.000 2.075 667 R HA -0.183 4.143 4.340 -0.024 0.000 0.232 667 R C 2.078 178.361 176.300 -0.029 0.000 1.126 667 R CA 1.554 57.277 56.100 -0.629 0.000 0.963 667 R CB 0.017 30.055 30.300 -0.437 0.000 0.858 667 R HN 0.080 nan 8.270 nan 0.000 0.435 668 E N 0.343 120.546 120.200 0.005 0.000 2.150 668 E HA -0.068 4.268 4.350 -0.024 0.000 0.193 668 E C 1.581 178.234 176.600 0.088 0.000 0.985 668 E CA 1.416 57.870 56.400 0.090 0.000 0.814 668 E CB -0.136 29.598 29.700 0.056 0.000 0.752 668 E HN 0.428 nan 8.360 nan 0.000 0.466 669 A N -0.268 122.601 122.820 0.083 0.000 2.019 669 A HA -0.184 4.122 4.320 -0.024 0.000 0.219 669 A C 2.349 180.143 177.584 0.351 0.000 1.164 669 A CA 1.413 53.560 52.037 0.184 0.000 0.644 669 A CB -0.867 18.182 19.000 0.082 0.000 0.805 669 A HN 0.493 nan 8.150 nan 0.000 0.449 670 C N -1.180 118.304 119.300 0.307 0.000 2.448 670 C HA 0.066 4.512 4.460 -0.024 0.000 0.280 670 C C 2.609 177.725 174.990 0.210 0.000 1.398 670 C CA 0.558 59.762 59.018 0.311 0.000 1.774 670 C CB -1.204 26.685 27.740 0.247 0.000 1.888 670 C HN 0.568 nan 8.230 nan 0.000 0.519 671 R N 0.181 120.746 120.500 0.107 0.000 2.254 671 R HA 0.058 4.384 4.340 -0.024 0.000 0.195 671 R C 2.356 178.677 176.300 0.035 0.000 0.957 671 R CA 0.290 56.380 56.100 -0.016 0.000 1.024 671 R CB -0.093 30.062 30.300 -0.240 0.000 0.952 671 R HN 0.492 nan 8.270 nan 0.000 0.484 672 R N 0.433 120.992 120.500 0.098 0.000 2.250 672 R HA 0.225 4.551 4.340 -0.024 0.000 0.194 672 R C -0.080 176.303 176.300 0.137 0.000 0.927 672 R CA 0.307 56.465 56.100 0.097 0.000 1.052 672 R CB 0.618 30.973 30.300 0.091 0.000 1.055 672 R HN 0.022 nan 8.270 nan 0.000 0.537 673 A N -0.018 122.915 122.820 0.188 0.000 2.293 673 A HA 0.438 4.743 4.320 -0.024 0.000 0.302 673 A C 0.147 177.804 177.584 0.121 0.000 1.119 673 A CA -0.585 51.530 52.037 0.129 0.000 0.823 673 A CB 1.158 20.172 19.000 0.024 0.000 1.097 673 A HN 0.453 nan 8.150 nan 0.000 0.491 674 C N -0.036 119.311 119.300 0.079 0.000 3.642 674 C HA 0.373 4.819 4.460 -0.024 0.000 0.305 674 C C 0.290 175.233 174.990 -0.078 0.000 1.492 674 C CA -0.416 58.609 59.018 0.011 0.000 1.809 674 C CB -1.200 26.477 27.740 -0.105 0.000 2.639 674 C HN 0.810 nan 8.230 nan 0.000 0.672 675 C N 1.790 121.031 119.300 -0.098 0.000 2.432 675 C HA 0.748 5.194 4.460 -0.024 0.000 0.334 675 C C -1.400 173.395 174.990 -0.326 0.000 1.155 675 C CA -0.466 58.495 59.018 -0.095 0.000 1.335 675 C CB -0.812 26.976 27.740 0.080 0.000 1.964 675 C HN 0.435 nan 8.230 nan 0.000 0.444 676 F N 4.588 124.548 119.950 0.017 0.000 2.493 676 F HA 0.757 5.269 4.527 -0.024 0.000 0.329 676 F C 0.509 176.284 175.800 -0.041 0.000 1.126 676 F CA -0.125 57.859 58.000 -0.026 0.000 0.937 676 F CB 1.790 40.700 39.000 -0.150 0.000 1.146 676 F HN 0.806 nan 8.300 nan 0.000 0.442 677 A N 2.380 125.262 122.820 0.103 0.000 2.479 677 A HA 0.796 5.102 4.320 -0.024 0.000 0.296 677 A C 0.326 177.922 177.584 0.019 0.000 1.121 677 A CA -1.183 50.882 52.037 0.046 0.000 0.743 677 A CB 1.224 20.240 19.000 0.027 0.000 1.323 677 A HN 0.855 nan 8.150 nan 0.000 0.415 678 R N -1.208 119.299 120.500 0.011 0.000 3.405 678 R HA -0.157 4.169 4.340 -0.024 0.000 0.258 678 R C -0.158 176.130 176.300 -0.021 0.000 1.030 678 R CA 0.695 56.797 56.100 0.004 0.000 0.691 678 R CB -2.089 28.218 30.300 0.012 0.000 1.093 678 R HN 1.596 nan 8.270 nan 0.000 0.448 679 V N -2.097 117.805 119.914 -0.019 0.000 2.837 679 V HA 0.547 4.653 4.120 -0.024 0.000 0.310 679 V C 0.635 176.813 176.094 0.139 0.000 1.059 679 V CA -0.668 61.628 62.300 -0.007 0.000 1.004 679 V CB 1.828 33.637 31.823 -0.023 0.000 1.045 679 V HN 0.269 nan 8.190 nan 0.000 0.465 680 E N 2.938 123.379 120.200 0.402 0.000 2.280 680 E HA 0.335 4.671 4.350 -0.024 0.000 0.261 680 E C -2.076 174.554 176.600 0.049 0.000 1.088 680 E CA -1.859 54.616 56.400 0.125 0.000 0.915 680 E CB 0.836 30.544 29.700 0.014 0.000 1.141 680 E HN 0.472 nan 8.360 nan 0.000 0.433 681 P HA -0.143 nan 4.420 nan 0.000 0.216 681 P C 1.115 178.367 177.300 -0.080 0.000 1.150 681 P CA 1.299 64.362 63.100 -0.063 0.000 0.843 681 P CB 0.181 31.828 31.700 -0.088 0.000 0.787 682 S N -1.641 113.976 115.700 -0.137 0.000 2.419 682 S HA -0.185 4.271 4.470 -0.024 0.000 0.233 682 S C 1.614 176.110 174.600 -0.175 0.000 1.016 682 S CA 1.166 59.260 58.200 -0.176 0.000 0.974 682 S CB -1.087 61.977 63.200 -0.227 0.000 0.786 682 S HN 0.406 nan 8.310 nan 0.000 0.492 683 H N 1.415 120.450 119.070 -0.058 0.000 2.353 683 H HA 0.029 4.570 4.556 -0.024 0.000 0.300 683 H C 2.239 177.466 175.328 -0.169 0.000 1.090 683 H CA 1.287 57.283 56.048 -0.087 0.000 1.327 683 H CB 0.067 29.776 29.762 -0.088 0.000 1.383 683 H HN 0.270 nan 8.280 nan 0.000 0.508 684 K N 0.371 120.759 120.400 -0.021 0.000 2.026 684 K HA -0.124 4.182 4.320 -0.024 0.000 0.208 684 K C 2.436 178.980 176.600 -0.093 0.000 1.048 684 K CA 1.643 57.883 56.287 -0.078 0.000 0.929 684 K CB -0.157 32.314 32.500 -0.048 0.000 0.713 684 K HN 0.349 nan 8.250 nan 0.000 0.439 685 S N 1.316 116.966 115.700 -0.084 0.000 2.428 685 S HA -0.108 4.348 4.470 -0.024 0.000 0.230 685 S C 2.017 176.546 174.600 -0.118 0.000 1.014 685 S CA 0.958 59.104 58.200 -0.090 0.000 0.957 685 S CB -0.033 63.117 63.200 -0.084 0.000 0.784 685 S HN 0.223 nan 8.310 nan 0.000 0.499 686 K N 1.218 121.543 120.400 -0.125 0.000 2.057 686 K HA 0.080 4.386 4.320 -0.024 0.000 0.206 686 K C 1.975 178.480 176.600 -0.159 0.000 1.050 686 K CA 1.399 57.580 56.287 -0.177 0.000 0.935 686 K CB -0.352 32.111 32.500 -0.061 0.000 0.715 686 K HN 0.430 nan 8.250 nan 0.000 0.439 687 I N 0.371 120.873 120.570 -0.114 0.000 2.226 687 I HA -0.270 3.886 4.170 -0.024 0.000 0.245 687 I C 2.094 178.194 176.117 -0.029 0.000 1.100 687 I CA 0.850 62.081 61.300 -0.115 0.000 1.374 687 I CB -0.123 37.615 38.000 -0.437 0.000 1.057 687 I HN -0.012 nan 8.210 nan 0.000 0.413 688 V N 0.765 120.639 119.914 -0.065 0.000 2.343 688 V HA -0.315 3.790 4.120 -0.024 0.000 0.247 688 V C 2.508 178.594 176.094 -0.013 0.000 1.051 688 V CA 2.234 64.517 62.300 -0.028 0.000 1.036 688 V CB -0.658 31.140 31.823 -0.043 0.000 0.654 688 V HN 0.528 nan 8.190 nan 0.000 0.451 689 E N -0.804 119.350 120.200 -0.076 0.000 2.077 689 E HA -0.243 4.092 4.350 -0.024 0.000 0.193 689 E C 2.172 178.748 176.600 -0.039 0.000 0.989 689 E CA 1.634 57.969 56.400 -0.108 0.000 0.800 689 E CB -0.282 29.285 29.700 -0.222 0.000 0.746 689 E HN 0.746 nan 8.360 nan 0.000 0.452 690 Y N -0.143 120.173 120.300 0.027 0.000 2.163 690 Y HA -0.219 4.316 4.550 -0.024 0.000 0.288 690 Y C 2.333 178.313 175.900 0.133 0.000 1.136 690 Y CA 0.257 58.391 58.100 0.056 0.000 1.147 690 Y CB 0.046 38.576 38.460 0.116 0.000 0.987 690 Y HN 0.149 nan 8.280 nan 0.000 0.509 691 L N 0.387 121.800 121.223 0.315 0.000 2.012 691 L HA -0.290 4.036 4.340 -0.024 0.000 0.210 691 L C 2.151 179.159 176.870 0.229 0.000 1.073 691 L CA 1.820 56.830 54.840 0.284 0.000 0.748 691 L CB -1.307 40.843 42.059 0.152 0.000 0.891 691 L HN 0.332 nan 8.230 nan 0.000 0.431 692 Q N -1.241 118.633 119.800 0.124 0.000 2.364 692 Q HA -0.119 4.207 4.340 -0.024 0.000 0.207 692 Q C 2.012 178.050 176.000 0.063 0.000 0.970 692 Q CA 1.241 57.089 55.803 0.075 0.000 0.888 692 Q CB -0.093 28.660 28.738 0.026 0.000 0.951 692 Q HN 0.634 nan 8.270 nan 0.000 0.469 693 S N -1.203 114.528 115.700 0.052 0.000 2.603 693 S HA -0.035 4.421 4.470 -0.024 0.000 0.220 693 S C 0.905 175.427 174.600 -0.131 0.000 0.967 693 S CA 0.083 58.252 58.200 -0.051 0.000 0.920 693 S CB 0.005 63.154 63.200 -0.086 0.000 0.773 693 S HN 0.382 nan 8.310 nan 0.000 0.529 694 Y N 1.369 121.701 120.300 0.054 0.000 2.507 694 Y HA 0.302 4.838 4.550 -0.024 0.000 0.254 694 Y C 0.256 176.172 175.900 0.027 0.000 1.171 694 Y CA -0.506 57.618 58.100 0.039 0.000 1.238 694 Y CB 0.268 38.753 38.460 0.041 0.000 1.148 694 Y HN 0.148 nan 8.280 nan 0.000 0.525 695 D N 0.924 121.408 120.400 0.139 0.000 2.981 695 D HA -0.186 4.440 4.640 -0.024 0.000 0.223 695 D C -0.588 175.761 176.300 0.083 0.000 1.151 695 D CA 0.714 54.766 54.000 0.086 0.000 0.827 695 D CB -0.958 39.883 40.800 0.069 0.000 1.101 695 D HN 0.519 nan 8.370 nan 0.000 0.426 696 E N 0.399 120.663 120.200 0.106 0.000 2.338 696 E HA 0.212 4.548 4.350 -0.024 0.000 0.272 696 E C 1.007 177.631 176.600 0.039 0.000 1.029 696 E CA -0.525 55.914 56.400 0.064 0.000 0.872 696 E CB 1.291 31.034 29.700 0.071 0.000 1.015 696 E HN 0.147 nan 8.360 nan 0.000 0.417 697 I N 3.235 123.813 120.570 0.013 0.000 2.471 697 I HA 0.019 4.175 4.170 -0.024 0.000 0.286 697 I C 0.770 176.887 176.117 0.000 0.000 1.079 697 I CA 0.307 61.606 61.300 -0.001 0.000 1.398 697 I CB -0.003 37.984 38.000 -0.021 0.000 1.403 697 I HN 0.502 nan 8.210 nan 0.000 0.530 698 T N 3.135 117.690 114.554 0.001 0.000 2.863 698 T HA 0.839 5.175 4.350 -0.024 0.000 0.285 698 T C -0.392 174.301 174.700 -0.010 0.000 1.009 698 T CA -0.839 61.262 62.100 0.002 0.000 0.989 698 T CB 2.246 71.122 68.868 0.013 0.000 1.004 698 T HN 0.666 nan 8.240 nan 0.000 0.455 699 A N 2.979 125.791 122.820 -0.013 0.000 2.320 699 A HA 0.868 5.174 4.320 -0.024 0.000 0.334 699 A C -0.480 177.096 177.584 -0.013 0.000 1.147 699 A CA -1.026 50.998 52.037 -0.022 0.000 0.820 699 A CB 1.433 20.412 19.000 -0.035 0.000 1.218 699 A HN 0.970 nan 8.150 nan 0.000 0.482 700 M N 1.440 121.030 119.600 -0.017 0.000 2.326 700 M HA 0.557 5.023 4.480 -0.024 0.000 0.306 700 M C -0.893 175.404 176.300 -0.005 0.000 1.054 700 M CA 0.107 55.403 55.300 -0.007 0.000 0.922 700 M CB 1.949 34.541 32.600 -0.013 0.000 1.632 700 M HN 0.570 nan 8.290 nan 0.000 0.436 701 T N 3.118 117.685 114.554 0.022 0.000 2.823 701 T HA 0.952 5.288 4.350 -0.024 0.000 0.279 701 T C -0.119 174.615 174.700 0.056 0.000 0.998 701 T CA -0.579 61.544 62.100 0.040 0.000 0.994 701 T CB 1.439 70.373 68.868 0.111 0.000 0.960 701 T HN 0.923 nan 8.240 nan 0.000 0.448 702 G N 0.873 109.698 108.800 0.043 0.000 2.550 702 G HA2 0.557 4.502 3.960 -0.024 0.000 0.293 702 G HA3 0.557 4.502 3.960 -0.024 0.000 0.293 702 G C -1.039 173.879 174.900 0.029 0.000 1.402 702 G CA -0.661 44.459 45.100 0.034 0.000 0.784 702 G HN 0.591 nan 8.290 nan 0.000 0.482 703 D N -1.761 118.652 120.400 0.022 0.000 2.368 703 D HA 0.206 4.831 4.640 -0.024 0.000 0.305 703 D C 0.901 177.211 176.300 0.017 0.000 1.143 703 D CA 0.741 54.755 54.000 0.023 0.000 0.847 703 D CB 0.322 41.139 40.800 0.029 0.000 1.357 703 D HN 0.840 nan 8.370 nan 0.000 0.526 704 G N 0.570 109.372 108.800 0.004 0.000 2.471 704 G HA2 0.447 4.393 3.960 -0.024 0.000 0.332 704 G HA3 0.447 4.393 3.960 -0.024 0.000 0.332 704 G C 1.069 175.951 174.900 -0.030 0.000 1.176 704 G CA -0.373 44.721 45.100 -0.011 0.000 0.949 704 G HN -0.086 nan 8.290 nan 0.000 0.488 705 V N 1.388 121.262 119.914 -0.066 0.000 2.324 705 V HA -0.229 3.876 4.120 -0.024 0.000 0.250 705 V C 2.813 178.851 176.094 -0.094 0.000 1.060 705 V CA 2.150 64.386 62.300 -0.107 0.000 1.042 705 V CB -0.557 31.109 31.823 -0.261 0.000 0.650 705 V HN 0.887 nan 8.190 nan 0.000 0.450 706 N N -0.093 118.552 118.700 -0.092 0.000 2.520 706 N HA -0.183 4.543 4.740 -0.024 0.000 0.185 706 N C 1.047 176.525 175.510 -0.053 0.000 1.068 706 N CA 1.496 54.499 53.050 -0.078 0.000 0.911 706 N CB -0.435 38.008 38.487 -0.073 0.000 0.961 706 N HN 0.479 nan 8.380 nan 0.000 0.446 707 D N 0.563 120.939 120.400 -0.041 0.000 2.348 707 D HA 0.153 4.779 4.640 -0.024 0.000 0.211 707 D C 1.785 178.066 176.300 -0.031 0.000 0.998 707 D CA 0.471 54.454 54.000 -0.029 0.000 0.873 707 D CB 0.124 40.915 40.800 -0.014 0.000 0.925 707 D HN 0.376 nan 8.370 nan 0.000 0.524 708 A N 2.127 124.926 122.820 -0.035 0.000 1.883 708 A HA -0.135 4.170 4.320 -0.024 0.000 0.217 708 A C -0.195 177.369 177.584 -0.033 0.000 1.186 708 A CA 1.362 53.381 52.037 -0.029 0.000 0.624 708 A CB -1.458 17.527 19.000 -0.026 0.000 0.822 708 A HN 0.159 nan 8.150 nan 0.000 0.444 709 P HA -0.148 nan 4.420 nan 0.000 0.215 709 P C 1.813 179.085 177.300 -0.046 0.000 1.157 709 P CA 2.089 65.160 63.100 -0.047 0.000 0.868 709 P CB -0.169 31.495 31.700 -0.059 0.000 0.788 710 A N -0.611 122.181 122.820 -0.046 0.000 1.883 710 A HA -0.187 4.118 4.320 -0.024 0.000 0.217 710 A C 2.245 179.809 177.584 -0.034 0.000 1.186 710 A CA 1.574 53.584 52.037 -0.044 0.000 0.624 710 A CB -1.746 17.229 19.000 -0.041 0.000 0.822 710 A HN 0.105 nan 8.150 nan 0.000 0.444 711 L N -0.797 120.409 121.223 -0.029 0.000 2.079 711 L HA -0.218 4.108 4.340 -0.024 0.000 0.210 711 L C 2.659 179.513 176.870 -0.027 0.000 1.081 711 L CA 1.651 56.476 54.840 -0.024 0.000 0.752 711 L CB -0.371 41.676 42.059 -0.020 0.000 0.896 711 L HN 0.349 nan 8.230 nan 0.000 0.433 712 K N 0.059 120.442 120.400 -0.029 0.000 2.103 712 K HA -0.180 4.126 4.320 -0.024 0.000 0.204 712 K C 2.150 178.732 176.600 -0.031 0.000 1.052 712 K CA 0.984 57.254 56.287 -0.029 0.000 0.945 712 K CB 0.106 32.589 32.500 -0.028 0.000 0.722 712 K HN 0.021 nan 8.250 nan 0.000 0.443 713 K N 0.858 121.237 120.400 -0.036 0.000 2.296 713 K HA 0.045 4.350 4.320 -0.024 0.000 0.200 713 K C 0.278 176.859 176.600 -0.032 0.000 1.048 713 K CA 0.327 56.591 56.287 -0.039 0.000 0.966 713 K CB 0.060 32.530 32.500 -0.051 0.000 0.754 713 K HN 0.073 nan 8.250 nan 0.000 0.466 714 A N 0.756 123.558 122.820 -0.029 0.000 2.386 714 A HA 0.132 4.437 4.320 -0.024 0.000 0.248 714 A C 0.626 178.197 177.584 -0.022 0.000 1.082 714 A CA -0.292 51.731 52.037 -0.024 0.000 0.789 714 A CB 0.346 19.332 19.000 -0.023 0.000 1.025 714 A HN 0.342 nan 8.150 nan 0.000 0.490 715 E N -0.112 120.077 120.200 -0.018 0.000 2.118 715 E HA -0.080 4.255 4.350 -0.024 0.000 0.195 715 E C 0.377 176.962 176.600 -0.025 0.000 0.992 715 E CA 1.559 57.947 56.400 -0.019 0.000 0.804 715 E CB -0.010 29.680 29.700 -0.016 0.000 0.741 715 E HN 0.575 nan 8.360 nan 0.000 0.458 716 I N -0.564 119.989 120.570 -0.028 0.000 2.571 716 I HA 0.446 4.602 4.170 -0.024 0.000 0.289 716 I C -0.781 175.315 176.117 -0.035 0.000 1.115 716 I CA -0.868 60.411 61.300 -0.034 0.000 1.045 716 I CB 1.713 39.689 38.000 -0.039 0.000 1.238 716 I HN -0.007 nan 8.210 nan 0.000 0.424 717 G N 7.901 116.680 108.800 -0.035 0.000 2.343 717 G HA2 0.664 4.610 3.960 -0.024 0.000 0.319 717 G HA3 0.664 4.610 3.960 -0.024 0.000 0.319 717 G C -0.999 173.879 174.900 -0.037 0.000 1.126 717 G CA -0.491 44.590 45.100 -0.032 0.000 0.889 717 G HN 0.549 nan 8.290 nan 0.000 0.457 718 I N 1.830 122.377 120.570 -0.039 0.000 2.389 718 I HA 0.524 4.680 4.170 -0.024 0.000 0.288 718 I C 0.381 176.482 176.117 -0.028 0.000 0.999 718 I CA -0.654 60.617 61.300 -0.048 0.000 1.129 718 I CB 2.094 40.044 38.000 -0.083 0.000 1.288 718 I HN 0.538 nan 8.210 nan 0.000 0.444 719 A N 7.510 130.318 122.820 -0.021 0.000 2.324 719 A HA 0.818 5.124 4.320 -0.024 0.000 0.330 719 A C -0.174 177.412 177.584 0.004 0.000 1.165 719 A CA -0.751 51.285 52.037 -0.003 0.000 0.813 719 A CB 1.038 20.037 19.000 -0.002 0.000 1.197 719 A HN 0.592 nan 8.150 nan 0.000 0.484 720 M N 2.231 121.844 119.600 0.022 0.000 2.228 720 M HA 0.142 4.608 4.480 -0.024 0.000 0.351 720 M C 1.614 177.926 176.300 0.020 0.000 1.233 720 M CA 0.282 55.600 55.300 0.030 0.000 1.129 720 M CB 0.278 32.907 32.600 0.047 0.000 1.604 720 M HN 0.950 nan 8.290 nan 0.000 0.457 721 G N 1.913 110.723 108.800 0.017 0.000 2.491 721 G HA2 -0.229 3.716 3.960 -0.024 0.000 0.218 721 G HA3 -0.229 3.716 3.960 -0.024 0.000 0.218 721 G C 1.244 176.154 174.900 0.015 0.000 1.180 721 G CA 1.347 46.455 45.100 0.012 0.000 0.774 721 G HN 0.779 nan 8.290 nan 0.000 0.562 722 S N 0.673 116.385 115.700 0.020 0.000 2.727 722 S HA 0.391 4.847 4.470 -0.024 0.000 0.226 722 S C 1.202 175.818 174.600 0.026 0.000 0.963 722 S CA 0.265 58.478 58.200 0.021 0.000 0.950 722 S CB -0.168 63.045 63.200 0.023 0.000 0.779 722 S HN 0.552 nan 8.310 nan 0.000 0.532 723 G N 1.496 110.312 108.800 0.027 0.000 2.543 723 G HA2 0.474 4.420 3.960 -0.024 0.000 0.290 723 G HA3 0.474 4.420 3.960 -0.024 0.000 0.290 723 G C 0.062 174.985 174.900 0.038 0.000 1.310 723 G CA -0.261 44.858 45.100 0.032 0.000 1.025 723 G HN 0.466 nan 8.290 nan 0.000 0.502 724 T N -2.672 111.911 114.554 0.049 0.000 2.898 724 T HA 0.427 4.763 4.350 -0.024 0.000 0.301 724 T C 1.631 176.368 174.700 0.062 0.000 1.049 724 T CA 0.335 62.480 62.100 0.074 0.000 1.095 724 T CB 1.436 70.367 68.868 0.106 0.000 0.976 724 T HN 0.861 nan 8.240 nan 0.000 0.539 725 A N 1.899 124.759 122.820 0.067 0.000 1.933 725 A HA -0.004 4.301 4.320 -0.024 0.000 0.218 725 A C 2.386 180.004 177.584 0.056 0.000 1.175 725 A CA 1.542 53.607 52.037 0.047 0.000 0.628 725 A CB -1.198 17.822 19.000 0.032 0.000 0.814 725 A HN 0.756 nan 8.150 nan 0.000 0.444 726 V N -0.194 119.776 119.914 0.094 0.000 2.287 726 V HA -0.298 3.808 4.120 -0.024 0.000 0.248 726 V C 3.061 179.177 176.094 0.037 0.000 1.053 726 V CA 2.153 64.500 62.300 0.079 0.000 1.027 726 V CB -1.211 30.676 31.823 0.107 0.000 0.646 726 V HN 0.633 nan 8.190 nan 0.000 0.447 727 A N -0.577 122.262 122.820 0.031 0.000 1.898 727 A HA -0.205 4.100 4.320 -0.024 0.000 0.216 727 A C 2.278 179.867 177.584 0.009 0.000 1.181 727 A CA 1.790 53.835 52.037 0.013 0.000 0.620 727 A CB -0.421 18.586 19.000 0.012 0.000 0.819 727 A HN 0.543 nan 8.150 nan 0.000 0.442 728 K N -0.463 119.945 120.400 0.014 0.000 2.032 728 K HA -0.149 4.157 4.320 -0.024 0.000 0.209 728 K C 2.172 178.772 176.600 -0.000 0.000 1.048 728 K CA 1.927 58.218 56.287 0.005 0.000 0.927 728 K CB -0.498 32.007 32.500 0.008 0.000 0.712 728 K HN 0.727 nan 8.250 nan 0.000 0.441 729 T N -1.515 113.043 114.554 0.006 0.000 3.055 729 T HA 0.078 4.414 4.350 -0.024 0.000 0.265 729 T C 1.815 176.512 174.700 -0.004 0.000 1.111 729 T CA 0.772 62.873 62.100 0.001 0.000 1.118 729 T CB 0.075 68.948 68.868 0.009 0.000 0.909 729 T HN 0.145 nan 8.240 nan 0.000 0.501 730 A N 0.661 123.479 122.820 -0.003 0.000 2.251 730 A HA 0.508 4.814 4.320 -0.024 0.000 0.209 730 A C 1.280 178.853 177.584 -0.018 0.000 1.187 730 A CA -0.309 51.722 52.037 -0.010 0.000 0.823 730 A CB -0.024 18.971 19.000 -0.009 0.000 0.846 730 A HN 0.451 nan 8.150 nan 0.000 0.486 731 S N -0.768 114.921 115.700 -0.019 0.000 2.638 731 S HA 0.396 4.851 4.470 -0.024 0.000 0.298 731 S C 0.377 174.957 174.600 -0.034 0.000 1.111 731 S CA -0.450 57.735 58.200 -0.025 0.000 1.027 731 S CB 1.578 64.765 63.200 -0.022 0.000 1.064 731 S HN 0.363 nan 8.310 nan 0.000 0.525 732 E N 0.764 120.940 120.200 -0.040 0.000 2.318 732 E HA 0.209 4.544 4.350 -0.024 0.000 0.193 732 E C 0.197 176.768 176.600 -0.049 0.000 0.998 732 E CA 0.548 56.918 56.400 -0.049 0.000 0.859 732 E CB 0.294 29.963 29.700 -0.052 0.000 0.812 732 E HN 0.457 nan 8.360 nan 0.000 0.492 733 M N 0.400 119.973 119.600 -0.045 0.000 2.446 733 M HA 0.396 4.861 4.480 -0.024 0.000 0.294 733 M C -1.811 174.466 176.300 -0.039 0.000 1.158 733 M CA -0.805 54.467 55.300 -0.046 0.000 0.899 733 M CB 1.949 34.516 32.600 -0.056 0.000 1.687 733 M HN -0.300 nan 8.290 nan 0.000 0.455 734 V N 5.493 125.386 119.914 -0.033 0.000 2.487 734 V HA 0.391 4.497 4.120 -0.024 0.000 0.298 734 V C -0.351 175.728 176.094 -0.026 0.000 1.028 734 V CA -0.713 61.572 62.300 -0.024 0.000 0.860 734 V CB 1.827 33.641 31.823 -0.015 0.000 0.991 734 V HN 0.793 nan 8.190 nan 0.000 0.427 735 L N 4.387 125.595 121.223 -0.025 0.000 2.401 735 L HA 0.283 4.608 4.340 -0.024 0.000 0.283 735 L C 1.705 178.572 176.870 -0.005 0.000 1.151 735 L CA -0.126 54.700 54.840 -0.022 0.000 0.942 735 L CB 0.516 42.560 42.059 -0.026 0.000 1.283 735 L HN 0.866 nan 8.230 nan 0.000 0.442 736 A N 2.497 125.313 122.820 -0.007 0.000 2.024 736 A HA -0.185 4.120 4.320 -0.024 0.000 0.220 736 A C 1.490 179.077 177.584 0.005 0.000 1.164 736 A CA 1.734 53.771 52.037 -0.001 0.000 0.643 736 A CB -0.277 18.721 19.000 -0.003 0.000 0.806 736 A HN 0.838 nan 8.150 nan 0.000 0.451 737 D N -2.504 117.900 120.400 0.007 0.000 2.402 737 D HA 0.154 4.780 4.640 -0.024 0.000 0.216 737 D C -0.341 175.973 176.300 0.023 0.000 1.128 737 D CA 0.335 54.343 54.000 0.014 0.000 0.833 737 D CB -0.188 40.620 40.800 0.012 0.000 0.971 737 D HN 0.225 nan 8.370 nan 0.000 0.503 738 D N -0.135 120.282 120.400 0.027 0.000 3.077 738 D HA -0.211 4.414 4.640 -0.024 0.000 0.217 738 D C -0.292 176.052 176.300 0.073 0.000 1.162 738 D CA 0.583 54.613 54.000 0.050 0.000 0.943 738 D CB -1.754 39.073 40.800 0.045 0.000 1.122 738 D HN 0.358 nan 8.370 nan 0.000 0.413 739 N N 0.283 119.014 118.700 0.052 0.000 2.402 739 N HA 0.034 4.759 4.740 -0.024 0.000 0.259 739 N C 0.743 176.304 175.510 0.084 0.000 1.167 739 N CA -0.042 53.047 53.050 0.065 0.000 0.949 739 N CB -0.296 38.210 38.487 0.032 0.000 1.212 739 N HN 0.039 nan 8.380 nan 0.000 0.493 740 F N 2.765 122.705 119.950 -0.016 0.000 2.202 740 F HA -0.211 4.302 4.527 -0.023 0.000 0.301 740 F C 2.188 177.977 175.800 -0.018 0.000 1.082 740 F CA 1.143 59.132 58.000 -0.019 0.000 1.313 740 F CB 0.066 39.053 39.000 -0.022 0.000 1.024 740 F HN 0.463 nan 8.300 nan 0.000 0.495 741 S N -0.624 115.143 115.700 0.112 0.000 2.380 741 S HA -0.279 4.177 4.470 -0.024 0.000 0.229 741 S C 1.950 176.521 174.600 -0.048 0.000 1.043 741 S CA 1.973 60.194 58.200 0.035 0.000 1.038 741 S CB -0.863 62.356 63.200 0.033 0.000 0.872 741 S HN 0.471 nan 8.310 nan 0.000 0.456 742 T N 2.420 116.935 114.554 -0.064 0.000 2.849 742 T HA -0.024 4.311 4.350 -0.024 0.000 0.270 742 T C 1.623 176.249 174.700 -0.124 0.000 1.066 742 T CA 0.970 63.023 62.100 -0.078 0.000 1.130 742 T CB -0.451 68.378 68.868 -0.066 0.000 0.864 742 T HN 0.372 nan 8.240 nan 0.000 0.481 743 I N 0.636 121.076 120.570 -0.217 0.000 2.208 743 I HA -0.170 3.986 4.170 -0.024 0.000 0.245 743 I C 2.440 178.463 176.117 -0.156 0.000 1.097 743 I CA 1.039 62.190 61.300 -0.249 0.000 1.363 743 I CB -0.463 37.262 38.000 -0.459 0.000 1.051 743 I HN 0.123 nan 8.210 nan 0.000 0.413 744 V N 1.044 120.884 119.914 -0.123 0.000 2.343 744 V HA -0.279 3.827 4.120 -0.024 0.000 0.247 744 V C 2.702 178.764 176.094 -0.053 0.000 1.051 744 V CA 1.972 64.231 62.300 -0.067 0.000 1.036 744 V CB -0.958 30.846 31.823 -0.033 0.000 0.654 744 V HN 0.500 nan 8.190 nan 0.000 0.451 745 A N -0.177 122.612 122.820 -0.051 0.000 2.019 745 A HA -0.063 4.243 4.320 -0.024 0.000 0.219 745 A C 2.345 179.902 177.584 -0.045 0.000 1.164 745 A CA 1.913 53.926 52.037 -0.040 0.000 0.644 745 A CB -0.564 18.415 19.000 -0.035 0.000 0.805 745 A HN 0.570 nan 8.150 nan 0.000 0.449 746 A N -0.799 121.986 122.820 -0.060 0.000 1.970 746 A HA 0.138 4.443 4.320 -0.024 0.000 0.216 746 A C 2.156 179.711 177.584 -0.050 0.000 1.170 746 A CA 1.346 53.349 52.037 -0.057 0.000 0.645 746 A CB -0.636 18.320 19.000 -0.073 0.000 0.816 746 A HN 0.303 nan 8.150 nan 0.000 0.447 747 V N 0.256 120.137 119.914 -0.055 0.000 2.295 747 V HA -0.282 3.823 4.120 -0.024 0.000 0.246 747 V C 2.569 178.643 176.094 -0.033 0.000 1.049 747 V CA 2.407 64.679 62.300 -0.047 0.000 1.024 747 V CB -0.576 31.217 31.823 -0.050 0.000 0.648 747 V HN 0.832 nan 8.190 nan 0.000 0.447 748 E N 0.149 120.332 120.200 -0.028 0.000 2.077 748 E HA -0.304 4.032 4.350 -0.024 0.000 0.193 748 E C 2.150 178.743 176.600 -0.011 0.000 0.989 748 E CA 1.619 58.009 56.400 -0.017 0.000 0.800 748 E CB -0.121 29.569 29.700 -0.016 0.000 0.746 748 E HN 0.620 nan 8.360 nan 0.000 0.452 749 E N 0.124 120.314 120.200 -0.018 0.000 2.085 749 E HA -0.128 4.208 4.350 -0.024 0.000 0.194 749 E C 1.886 178.486 176.600 -0.000 0.000 0.994 749 E CA 1.840 58.231 56.400 -0.015 0.000 0.801 749 E CB -0.760 28.925 29.700 -0.025 0.000 0.743 749 E HN 0.356 nan 8.360 nan 0.000 0.453 750 G N 0.202 109.000 108.800 -0.004 0.000 2.404 750 G HA2 -0.271 3.675 3.960 -0.024 0.000 0.215 750 G HA3 -0.271 3.675 3.960 -0.024 0.000 0.215 750 G C 1.692 176.617 174.900 0.041 0.000 1.174 750 G CA 0.748 45.855 45.100 0.012 0.000 0.780 750 G HN 0.210 nan 8.290 nan 0.000 0.537 751 R N 0.492 121.005 120.500 0.020 0.000 2.103 751 R HA -0.077 4.249 4.340 -0.024 0.000 0.242 751 R C 3.013 179.363 176.300 0.084 0.000 1.142 751 R CA 1.334 57.459 56.100 0.042 0.000 0.960 751 R CB -0.390 29.912 30.300 0.004 0.000 0.858 751 R HN 0.359 nan 8.270 nan 0.000 0.439 752 A N 1.188 124.037 122.820 0.048 0.000 1.902 752 A HA -0.155 4.150 4.320 -0.024 0.000 0.217 752 A C 2.062 179.678 177.584 0.053 0.000 1.181 752 A CA 1.201 53.264 52.037 0.043 0.000 0.623 752 A CB -0.383 18.628 19.000 0.018 0.000 0.818 752 A HN 0.113 nan 8.150 nan 0.000 0.443 753 I N -1.611 118.993 120.570 0.057 0.000 2.179 753 I HA -0.235 3.921 4.170 -0.024 0.000 0.242 753 I C 2.379 178.522 176.117 0.043 0.000 1.088 753 I CA 1.605 62.940 61.300 0.058 0.000 1.357 753 I CB -1.559 36.478 38.000 0.061 0.000 1.051 753 I HN 0.567 nan 8.210 nan 0.000 0.409 754 Y N 2.583 122.858 120.300 -0.042 0.000 2.114 754 Y HA -0.324 4.212 4.550 -0.024 0.000 0.282 754 Y C 2.482 178.326 175.900 -0.092 0.000 1.165 754 Y CA 2.081 60.141 58.100 -0.067 0.000 1.148 754 Y CB -0.254 38.178 38.460 -0.047 0.000 0.972 754 Y HN 0.236 nan 8.280 nan 0.000 0.504 755 N N 0.604 119.332 118.700 0.047 0.000 2.069 755 N HA -0.194 4.532 4.740 -0.024 0.000 0.191 755 N C 1.306 176.735 175.510 -0.134 0.000 1.031 755 N CA 1.633 54.664 53.050 -0.031 0.000 0.852 755 N CB -0.658 37.859 38.487 0.050 0.000 1.018 755 N HN 0.462 nan 8.380 nan 0.000 0.423 756 N N 0.754 119.397 118.700 -0.095 0.000 2.106 756 N HA -0.045 4.680 4.740 -0.024 0.000 0.188 756 N C 1.827 177.063 175.510 -0.456 0.000 1.029 756 N CA 0.792 53.789 53.050 -0.088 0.000 0.848 756 N CB -0.359 38.185 38.487 0.095 0.000 1.007 756 N HN 0.297 nan 8.380 nan 0.000 0.423 757 M N 1.079 120.293 119.600 -0.644 0.000 2.065 757 M HA -0.204 4.261 4.480 -0.024 0.000 0.259 757 M C 2.052 177.688 176.300 -1.105 0.000 1.069 757 M CA 1.677 56.177 55.300 -1.334 0.000 1.110 757 M CB -0.330 31.869 32.600 -0.669 0.000 1.328 757 M HN 0.211 nan 8.290 nan 0.000 0.405 758 K N 0.674 120.645 120.400 -0.715 0.000 2.283 758 K HA -0.221 4.085 4.320 -0.024 0.000 0.202 758 K C 1.743 178.147 176.600 -0.326 0.000 1.048 758 K CA 1.693 57.673 56.287 -0.513 0.000 0.948 758 K CB -0.419 31.774 32.500 -0.511 0.000 0.742 758 K HN 0.583 nan 8.250 nan 0.000 0.458 759 Q N 0.672 120.298 119.800 -0.291 0.000 2.269 759 Q HA -0.089 4.236 4.340 -0.024 0.000 0.201 759 Q C 1.686 177.684 176.000 -0.003 0.000 0.946 759 Q CA 0.723 56.463 55.803 -0.105 0.000 0.877 759 Q CB -0.268 28.442 28.738 -0.046 0.000 0.963 759 Q HN 0.538 nan 8.270 nan 0.000 0.472 760 F N -1.160 118.784 119.950 -0.010 0.000 2.746 760 F HA 0.403 4.918 4.527 -0.021 0.000 0.297 760 F C 1.440 177.266 175.800 0.043 0.000 1.113 760 F CA -0.591 57.434 58.000 0.043 0.000 1.367 760 F CB -0.231 38.773 39.000 0.007 0.000 1.111 760 F HN -0.053 nan 8.300 nan 0.000 0.590 761 I N 0.522 121.060 120.570 -0.053 0.000 2.500 761 I HA -0.121 4.035 4.170 -0.024 0.000 0.252 761 I C 2.482 178.565 176.117 -0.057 0.000 1.142 761 I CA 0.811 62.109 61.300 -0.002 0.000 1.451 761 I CB -0.284 37.607 38.000 -0.182 0.000 1.093 761 I HN 0.084 nan 8.210 nan 0.000 0.430 762 R N 0.002 120.451 120.500 -0.084 0.000 2.061 762 R HA -0.210 4.115 4.340 -0.024 0.000 0.230 762 R C 2.430 178.639 176.300 -0.151 0.000 1.140 762 R CA 1.829 57.842 56.100 -0.145 0.000 0.940 762 R CB -0.806 29.469 30.300 -0.042 0.000 0.839 762 R HN 0.279 nan 8.270 nan 0.000 0.429 763 Y N 1.788 122.032 120.300 -0.093 0.000 2.228 763 Y HA -0.253 4.282 4.550 -0.025 0.000 0.285 763 Y C 1.788 177.638 175.900 -0.083 0.000 1.178 763 Y CA 1.551 59.609 58.100 -0.069 0.000 1.202 763 Y CB -0.206 38.257 38.460 0.005 0.000 0.974 763 Y HN 0.002 nan 8.280 nan 0.000 0.527 764 L N -1.259 119.890 121.223 -0.124 0.000 2.095 764 L HA -0.100 4.226 4.340 -0.024 0.000 0.204 764 L C 2.257 178.996 176.870 -0.219 0.000 1.080 764 L CA 0.677 55.402 54.840 -0.191 0.000 0.759 764 L CB -0.427 41.656 42.059 0.040 0.000 0.914 764 L HN 0.205 nan 8.230 nan 0.000 0.439 765 I N -0.685 119.761 120.570 -0.207 0.000 2.493 765 I HA -0.225 3.931 4.170 -0.024 0.000 0.254 765 I C 2.665 178.556 176.117 -0.378 0.000 1.160 765 I CA 0.990 62.164 61.300 -0.211 0.000 1.445 765 I CB -0.235 37.650 38.000 -0.192 0.000 1.086 765 I HN 0.119 nan 8.210 nan 0.000 0.433 766 S N -0.556 114.811 115.700 -0.555 0.000 2.359 766 S HA -0.264 4.191 4.470 -0.024 0.000 0.222 766 S C 2.434 176.846 174.600 -0.313 0.000 1.038 766 S CA 2.220 60.108 58.200 -0.520 0.000 1.051 766 S CB -0.714 62.215 63.200 -0.451 0.000 0.944 766 S HN 0.675 nan 8.310 nan 0.000 0.433 767 S N 1.992 117.486 115.700 -0.343 0.000 2.359 767 S HA -0.192 4.264 4.470 -0.024 0.000 0.223 767 S C 1.818 176.325 174.600 -0.155 0.000 1.039 767 S CA 1.833 59.881 58.200 -0.254 0.000 1.042 767 S CB -1.097 61.919 63.200 -0.307 0.000 0.915 767 S HN 0.706 nan 8.310 nan 0.000 0.439 768 N N 0.696 119.314 118.700 -0.136 0.000 2.348 768 N HA -0.077 4.649 4.740 -0.024 0.000 0.185 768 N C 1.729 177.207 175.510 -0.055 0.000 1.019 768 N CA 1.349 54.357 53.050 -0.069 0.000 0.880 768 N CB -0.304 38.163 38.487 -0.033 0.000 0.965 768 N HN 0.347 nan 8.380 nan 0.000 0.437 769 V N 0.917 120.784 119.914 -0.078 0.000 2.255 769 V HA -0.100 4.006 4.120 -0.024 0.000 0.243 769 V C 2.585 178.651 176.094 -0.045 0.000 1.038 769 V CA 1.984 64.253 62.300 -0.053 0.000 1.008 769 V CB -1.118 30.672 31.823 -0.055 0.000 0.645 769 V HN 0.288 nan 8.190 nan 0.000 0.449 770 G N -0.294 108.471 108.800 -0.059 0.000 2.469 770 G HA2 -0.264 3.681 3.960 -0.024 0.000 0.220 770 G HA3 -0.264 3.681 3.960 -0.024 0.000 0.220 770 G C 1.406 176.288 174.900 -0.030 0.000 1.136 770 G CA 1.100 46.173 45.100 -0.046 0.000 0.759 770 G HN 0.619 nan 8.290 nan 0.000 0.562 771 E N -0.094 120.087 120.200 -0.032 0.000 2.072 771 E HA -0.066 4.270 4.350 -0.024 0.000 0.191 771 E C 2.692 179.297 176.600 0.008 0.000 0.985 771 E CA 0.908 57.301 56.400 -0.013 0.000 0.801 771 E CB -0.183 29.508 29.700 -0.015 0.000 0.750 771 E HN 0.332 nan 8.360 nan 0.000 0.452 772 V N 1.251 121.169 119.914 0.006 0.000 2.427 772 V HA -0.200 3.906 4.120 -0.024 0.000 0.248 772 V C 2.370 178.504 176.094 0.067 0.000 1.051 772 V CA 1.119 63.434 62.300 0.026 0.000 1.048 772 V CB -0.188 31.634 31.823 -0.003 0.000 0.666 772 V HN 0.113 nan 8.190 nan 0.000 0.456 773 V N -0.566 119.375 119.914 0.045 0.000 2.287 773 V HA -0.329 3.776 4.120 -0.024 0.000 0.248 773 V C 2.597 178.763 176.094 0.120 0.000 1.053 773 V CA 2.302 64.655 62.300 0.088 0.000 1.027 773 V CB -0.825 31.020 31.823 0.036 0.000 0.646 773 V HN 0.810 nan 8.190 nan 0.000 0.447 774 C N 0.200 119.535 119.300 0.059 0.000 2.429 774 C HA -0.131 4.315 4.460 -0.024 0.000 0.277 774 C C 2.531 177.554 174.990 0.056 0.000 1.262 774 C CA 0.774 59.818 59.018 0.043 0.000 1.733 774 C CB -1.025 26.721 27.740 0.010 0.000 2.010 774 C HN 0.517 nan 8.230 nan 0.000 0.483 775 I N 0.118 120.729 120.570 0.068 0.000 2.546 775 I HA -0.003 4.153 4.170 -0.024 0.000 0.255 775 I C 2.212 178.384 176.117 0.091 0.000 1.163 775 I CA 1.375 62.708 61.300 0.055 0.000 1.457 775 I CB -1.544 36.481 38.000 0.041 0.000 1.092 775 I HN 0.370 nan 8.210 nan 0.000 0.434 776 F N 1.247 121.192 119.950 -0.008 0.000 2.293 776 F HA -0.016 4.496 4.527 -0.025 0.000 0.297 776 F C 2.272 178.085 175.800 0.022 0.000 1.089 776 F CA 1.102 59.105 58.000 0.005 0.000 1.377 776 F CB -0.049 38.958 39.000 0.011 0.000 1.051 776 F HN -0.132 nan 8.300 nan 0.000 0.511 777 L N -0.855 120.401 121.223 0.055 0.000 2.005 777 L HA -0.207 4.119 4.340 -0.024 0.000 0.207 777 L C 2.509 179.350 176.870 -0.049 0.000 1.072 777 L CA 1.865 56.692 54.840 -0.021 0.000 0.744 777 L CB -1.038 41.049 42.059 0.046 0.000 0.895 777 L HN 0.080 nan 8.230 nan 0.000 0.433 778 T N -0.690 113.861 114.554 -0.005 0.000 2.803 778 T HA -0.180 4.156 4.350 -0.024 0.000 0.269 778 T C 1.630 176.348 174.700 0.030 0.000 1.052 778 T CA 1.352 63.462 62.100 0.017 0.000 1.136 778 T CB 0.040 68.924 68.868 0.026 0.000 0.864 778 T HN 0.459 nan 8.240 nan 0.000 0.467 779 A N 1.069 123.863 122.820 -0.042 0.000 1.832 779 A HA 0.431 4.737 4.320 -0.024 0.000 0.214 779 A C 2.685 180.232 177.584 -0.061 0.000 1.242 779 A CA 1.511 53.522 52.037 -0.044 0.000 0.603 779 A CB -1.557 17.361 19.000 -0.137 0.000 0.902 779 A HN 0.515 nan 8.150 nan 0.000 0.455 780 A N -0.534 122.113 122.820 -0.288 0.000 1.894 780 A HA -0.221 4.084 4.320 -0.024 0.000 0.220 780 A C 2.049 179.590 177.584 -0.073 0.000 1.237 780 A CA 2.284 54.167 52.037 -0.257 0.000 0.660 780 A CB -0.918 17.780 19.000 -0.503 0.000 0.835 780 A HN 0.447 nan 8.150 nan 0.000 0.461 781 L N -1.665 119.505 121.223 -0.090 0.000 2.046 781 L HA 0.083 4.409 4.340 -0.024 0.000 0.208 781 L C 1.970 178.775 176.870 -0.107 0.000 1.077 781 L CA 1.955 56.748 54.840 -0.079 0.000 0.747 781 L CB -1.263 40.761 42.059 -0.058 0.000 0.896 781 L HN 0.981 nan 8.230 nan 0.000 0.432 782 G N -1.371 107.418 108.800 -0.018 0.000 2.173 782 G HA2 -0.182 3.764 3.960 -0.024 0.000 0.174 782 G HA3 -0.182 3.764 3.960 -0.024 0.000 0.174 782 G C 0.032 175.006 174.900 0.123 0.000 1.025 782 G CA -0.021 45.079 45.100 -0.000 0.000 0.706 782 G HN 0.225 nan 8.290 nan 0.000 0.499 783 L N 0.011 121.311 121.223 0.129 0.000 2.416 783 L HA 0.568 4.894 4.340 -0.024 0.000 0.262 783 L C -1.714 175.154 176.870 -0.002 0.000 1.093 783 L CA -2.505 52.365 54.840 0.051 0.000 0.801 783 L CB 0.710 42.761 42.059 -0.013 0.000 1.191 783 L HN -0.107 nan 8.230 nan 0.000 0.459 784 P HA 0.039 nan 4.420 nan 0.000 0.269 784 P C -0.915 176.318 177.300 -0.112 0.000 1.215 784 P CA -0.362 62.356 63.100 -0.636 0.000 0.780 784 P CB 0.336 31.569 31.700 -0.779 0.000 0.898 785 E N 0.849 121.045 120.200 -0.007 0.000 2.465 785 E HA 0.001 4.337 4.350 -0.024 0.000 0.260 785 E C 0.924 177.532 176.600 0.013 0.000 0.980 785 E CA 0.109 56.520 56.400 0.019 0.000 0.927 785 E CB 0.465 30.176 29.700 0.019 0.000 0.934 785 E HN 0.432 nan 8.360 nan 0.000 0.459 786 A N 4.792 127.621 122.820 0.017 0.000 1.975 786 A HA 0.058 4.364 4.320 -0.024 0.000 0.215 786 A C 0.769 178.347 177.584 -0.010 0.000 1.170 786 A CA 0.732 52.773 52.037 0.008 0.000 0.656 786 A CB 0.262 19.271 19.000 0.014 0.000 0.821 786 A HN 0.495 nan 8.150 nan 0.000 0.449 787 L N -0.203 121.020 121.223 -0.001 0.000 2.371 787 L HA 0.637 4.962 4.340 -0.024 0.000 0.262 787 L C -0.726 176.149 176.870 0.008 0.000 1.006 787 L CA -0.914 53.929 54.840 0.005 0.000 0.818 787 L CB 2.258 44.324 42.059 0.013 0.000 1.354 787 L HN 0.418 nan 8.230 nan 0.000 0.415 788 I N -2.229 118.352 120.570 0.018 0.000 2.969 788 I HA 0.514 4.670 4.170 -0.024 0.000 0.307 788 I C -2.392 173.744 176.117 0.032 0.000 1.149 788 I CA -2.279 59.029 61.300 0.013 0.000 1.008 788 I CB 2.134 40.135 38.000 0.001 0.000 1.232 788 I HN 0.254 nan 8.210 nan 0.000 0.435 789 P HA -0.205 nan 4.420 nan 0.000 0.216 789 P C 1.870 179.210 177.300 0.066 0.000 1.167 789 P CA 1.376 64.500 63.100 0.040 0.000 0.914 789 P CB 0.126 31.839 31.700 0.023 0.000 0.793 790 V N -0.891 119.044 119.914 0.034 0.000 2.428 790 V HA -0.334 3.771 4.120 -0.024 0.000 0.255 790 V C 2.334 178.523 176.094 0.159 0.000 1.080 790 V CA 2.156 64.466 62.300 0.016 0.000 1.083 790 V CB -1.038 30.716 31.823 -0.116 0.000 0.665 790 V HN 0.267 nan 8.190 nan 0.000 0.461 791 Q N -1.407 118.510 119.800 0.196 0.000 2.226 791 Q HA 0.070 4.396 4.340 -0.024 0.000 0.199 791 Q C 2.224 178.391 176.000 0.279 0.000 0.945 791 Q CA 0.824 56.812 55.803 0.308 0.000 0.861 791 Q CB -0.118 28.735 28.738 0.193 0.000 0.953 791 Q HN 0.499 nan 8.270 nan 0.000 0.490 792 L N 0.656 121.980 121.223 0.169 0.000 2.012 792 L HA -0.214 4.112 4.340 -0.024 0.000 0.210 792 L C 2.298 179.256 176.870 0.146 0.000 1.073 792 L CA 1.136 56.051 54.840 0.125 0.000 0.748 792 L CB -0.478 41.624 42.059 0.073 0.000 0.891 792 L HN 0.264 nan 8.230 nan 0.000 0.431 793 L N -1.291 120.032 121.223 0.168 0.000 2.079 793 L HA -0.297 4.028 4.340 -0.024 0.000 0.210 793 L C 2.495 179.503 176.870 0.229 0.000 1.081 793 L CA 1.594 56.534 54.840 0.167 0.000 0.752 793 L CB -0.605 41.554 42.059 0.167 0.000 0.896 793 L HN 0.561 nan 8.230 nan 0.000 0.433 794 W N 0.392 121.779 121.300 0.144 0.000 2.354 794 W HA -0.202 4.438 4.660 -0.034 0.000 0.315 794 W C 2.216 178.789 176.519 0.089 0.000 1.206 794 W CA 1.693 59.136 57.345 0.164 0.000 1.290 794 W CB -0.129 29.486 29.460 0.258 0.000 1.152 794 W HN -0.083 nan 8.180 nan 0.000 0.489 795 V N 1.904 121.914 119.914 0.160 0.000 2.343 795 V HA -0.359 3.746 4.120 -0.024 0.000 0.247 795 V C 2.079 178.130 176.094 -0.073 0.000 1.051 795 V CA 2.252 64.559 62.300 0.012 0.000 1.036 795 V CB -1.004 30.865 31.823 0.077 0.000 0.654 795 V HN 0.198 nan 8.190 nan 0.000 0.451 796 N N -0.546 118.138 118.700 -0.028 0.000 2.409 796 N HA -0.029 4.697 4.740 -0.024 0.000 0.179 796 N C 1.490 176.959 175.510 -0.069 0.000 1.032 796 N CA 0.787 53.812 53.050 -0.042 0.000 0.898 796 N CB 0.023 38.505 38.487 -0.008 0.000 0.971 796 N HN 0.315 nan 8.380 nan 0.000 0.441 797 L N -0.440 120.722 121.223 -0.101 0.000 2.253 797 L HA 0.157 4.483 4.340 -0.024 0.000 0.205 797 L C 1.710 178.438 176.870 -0.238 0.000 1.078 797 L CA 0.839 55.603 54.840 -0.126 0.000 0.805 797 L CB 0.131 42.143 42.059 -0.078 0.000 0.963 797 L HN -0.158 nan 8.230 nan 0.000 0.459 798 V N -2.515 117.146 119.914 -0.422 0.000 2.950 798 V HA -0.025 4.080 4.120 -0.024 0.000 0.231 798 V C 2.072 177.909 176.094 -0.429 0.000 1.205 798 V CA 1.239 63.197 62.300 -0.570 0.000 1.239 798 V CB 0.252 31.340 31.823 -1.226 0.000 1.050 798 V HN 0.260 nan 8.190 nan 0.000 0.498 799 T N 0.216 114.493 114.554 -0.461 0.000 2.833 799 T HA -0.163 4.173 4.350 -0.024 0.000 0.269 799 T C 1.289 175.944 174.700 -0.075 0.000 1.054 799 T CA 1.804 63.788 62.100 -0.194 0.000 1.135 799 T CB -0.180 68.642 68.868 -0.076 0.000 0.869 799 T HN 0.383 nan 8.240 nan 0.000 0.466 800 D N 0.389 120.747 120.400 -0.070 0.000 2.324 800 D HA 0.163 4.788 4.640 -0.024 0.000 0.212 800 D C 2.395 178.708 176.300 0.022 0.000 0.984 800 D CA 0.655 54.686 54.000 0.052 0.000 0.885 800 D CB -0.742 40.061 40.800 0.005 0.000 0.996 800 D HN 0.412 nan 8.370 nan 0.000 0.505 801 G N 1.356 110.103 108.800 -0.088 0.000 2.476 801 G HA2 -0.246 3.699 3.960 -0.024 0.000 0.218 801 G HA3 -0.246 3.699 3.960 -0.024 0.000 0.218 801 G C 1.523 176.329 174.900 -0.157 0.000 1.164 801 G CA 0.657 45.678 45.100 -0.131 0.000 0.768 801 G HN 0.146 nan 8.290 nan 0.000 0.560 802 L N 1.491 122.627 121.223 -0.145 0.000 1.994 802 L HA 0.039 4.364 4.340 -0.024 0.000 0.208 802 L C 0.273 177.034 176.870 -0.181 0.000 1.071 802 L CA 1.788 56.536 54.840 -0.153 0.000 0.745 802 L CB -1.477 40.514 42.059 -0.113 0.000 0.892 802 L HN 0.163 nan 8.230 nan 0.000 0.431 803 P HA -0.088 nan 4.420 nan 0.000 0.217 803 P C 1.578 178.690 177.300 -0.314 0.000 1.151 803 P CA 1.641 64.609 63.100 -0.221 0.000 0.828 803 P CB -0.042 31.535 31.700 -0.204 0.000 0.788 804 A N -0.677 122.006 122.820 -0.228 0.000 1.883 804 A HA -0.225 4.080 4.320 -0.024 0.000 0.217 804 A C 2.303 179.642 177.584 -0.410 0.000 1.186 804 A CA 2.607 54.501 52.037 -0.239 0.000 0.624 804 A CB -1.992 16.922 19.000 -0.143 0.000 0.822 804 A HN 0.145 nan 8.150 nan 0.000 0.444 805 T N -0.004 114.304 114.554 -0.409 0.000 2.788 805 T HA -0.010 4.325 4.350 -0.024 0.000 0.268 805 T C 2.102 176.474 174.700 -0.548 0.000 1.044 805 T CA 1.561 63.401 62.100 -0.432 0.000 1.139 805 T CB -0.366 68.294 68.868 -0.346 0.000 0.867 805 T HN 0.605 nan 8.240 nan 0.000 0.454 806 A N 0.685 123.182 122.820 -0.537 0.000 2.066 806 A HA 0.154 4.460 4.320 -0.024 0.000 0.218 806 A C 2.212 179.624 177.584 -0.286 0.000 1.157 806 A CA 0.761 52.424 52.037 -0.625 0.000 0.670 806 A CB -0.604 18.200 19.000 -0.328 0.000 0.804 806 A HN 0.476 nan 8.150 nan 0.000 0.453 807 L N -0.697 120.419 121.223 -0.178 0.000 2.093 807 L HA -0.097 4.228 4.340 -0.024 0.000 0.208 807 L C 2.512 179.478 176.870 0.160 0.000 1.085 807 L CA 0.937 55.773 54.840 -0.007 0.000 0.755 807 L CB -0.541 41.518 42.059 -0.001 0.000 0.904 807 L HN 0.486 nan 8.230 nan 0.000 0.435 808 G N -1.228 107.704 108.800 0.219 0.000 2.807 808 G HA2 -0.180 3.766 3.960 -0.024 0.000 0.207 808 G HA3 -0.180 3.766 3.960 -0.024 0.000 0.207 808 G C 0.782 175.959 174.900 0.461 0.000 1.151 808 G CA -0.002 45.322 45.100 0.374 0.000 0.800 808 G HN 0.233 nan 8.290 nan 0.000 0.523 809 F N 0.122 120.057 119.950 -0.025 0.000 2.661 809 F HA 0.305 4.817 4.527 -0.026 0.000 0.306 809 F C 0.190 175.981 175.800 -0.016 0.000 1.094 809 F CA -1.770 56.171 58.000 -0.100 0.000 1.254 809 F CB -0.173 38.704 39.000 -0.204 0.000 1.040 809 F HN -0.077 nan 8.300 nan 0.000 0.562 810 N N 3.013 121.834 118.700 0.202 0.000 2.406 810 N HA 0.142 4.868 4.740 -0.024 0.000 0.265 810 N C -2.528 173.039 175.510 0.095 0.000 1.203 810 N CA -1.246 51.887 53.050 0.140 0.000 0.945 810 N CB 0.007 38.555 38.487 0.102 0.000 1.165 810 N HN -0.070 nan 8.380 nan 0.000 0.485 811 P HA 0.012 nan 4.420 nan 0.000 0.264 811 P C -2.125 175.202 177.300 0.047 0.000 1.179 811 P CA -0.560 62.575 63.100 0.058 0.000 0.763 811 P CB -0.124 31.621 31.700 0.076 0.000 0.806 812 P HA 0.069 nan 4.420 nan 0.000 0.271 812 P C -0.569 176.749 177.300 0.030 0.000 1.233 812 P CA 0.044 63.161 63.100 0.029 0.000 0.789 812 P CB 0.448 32.160 31.700 0.019 0.000 0.951 813 D N 0.104 120.521 120.400 0.029 0.000 2.400 813 D HA 0.024 4.649 4.640 -0.024 0.000 0.238 813 D C 1.262 177.575 176.300 0.021 0.000 1.157 813 D CA -0.001 54.014 54.000 0.026 0.000 0.889 813 D CB 0.126 40.941 40.800 0.025 0.000 1.199 813 D HN 0.161 nan 8.370 nan 0.000 0.436 814 L N 1.224 122.458 121.223 0.019 0.000 2.313 814 L HA -0.020 4.306 4.340 -0.024 0.000 0.214 814 L C 1.640 178.517 176.870 0.011 0.000 1.119 814 L CA 0.991 55.841 54.840 0.016 0.000 0.809 814 L CB -0.407 41.662 42.059 0.016 0.000 0.933 814 L HN 0.459 nan 8.230 nan 0.000 0.449 815 D N -1.092 119.314 120.400 0.011 0.000 2.363 815 D HA -0.050 4.576 4.640 -0.024 0.000 0.214 815 D C 1.969 178.272 176.300 0.006 0.000 1.093 815 D CA -0.158 53.846 54.000 0.007 0.000 0.837 815 D CB -0.158 40.646 40.800 0.006 0.000 0.948 815 D HN 0.188 nan 8.370 nan 0.000 0.507 816 I N 0.629 121.204 120.570 0.009 0.000 2.181 816 I HA -0.287 3.869 4.170 -0.024 0.000 0.247 816 I C 1.696 177.813 176.117 -0.001 0.000 1.081 816 I CA 1.396 62.700 61.300 0.008 0.000 1.340 816 I CB -0.036 37.971 38.000 0.012 0.000 1.036 816 I HN 0.002 nan 8.210 nan 0.000 0.417 817 M N -0.585 119.013 119.600 -0.002 0.000 2.530 817 M HA 0.084 4.549 4.480 -0.024 0.000 0.231 817 M C 0.407 176.703 176.300 -0.007 0.000 1.180 817 M CA 0.591 55.887 55.300 -0.007 0.000 0.985 817 M CB -0.611 31.985 32.600 -0.006 0.000 1.623 817 M HN 0.208 nan 8.290 nan 0.000 0.475 818 D N 0.232 120.629 120.400 -0.005 0.000 2.469 818 D HA 0.137 4.762 4.640 -0.024 0.000 0.213 818 D C 0.442 176.737 176.300 -0.007 0.000 1.135 818 D CA 0.080 54.077 54.000 -0.005 0.000 0.834 818 D CB 1.106 41.905 40.800 -0.002 0.000 1.009 818 D HN 0.273 nan 8.370 nan 0.000 0.507 819 R N 2.086 122.580 120.500 -0.009 0.000 2.500 819 R HA 0.384 4.709 4.340 -0.024 0.000 0.277 819 R C -2.305 173.983 176.300 -0.019 0.000 1.026 819 R CA -1.524 54.569 56.100 -0.012 0.000 1.058 819 R CB 0.169 30.462 30.300 -0.011 0.000 1.078 819 R HN -0.044 nan 8.270 nan 0.000 0.509 820 P HA 0.173 nan 4.420 nan 0.000 0.274 820 P C -2.482 174.795 177.300 -0.039 0.000 1.260 820 P CA -1.343 61.741 63.100 -0.026 0.000 0.793 820 P CB -0.529 31.158 31.700 -0.022 0.000 1.048 821 P HA 0.162 nan 4.420 nan 0.000 0.275 821 P C -0.006 177.242 177.300 -0.087 0.000 1.228 821 P CA -0.203 62.852 63.100 -0.074 0.000 0.786 821 P CB 0.232 31.891 31.700 -0.068 0.000 0.927 822 R N 0.961 121.377 120.500 -0.140 0.000 2.697 822 R HA 0.187 4.513 4.340 -0.024 0.000 0.265 822 R C 0.292 176.531 176.300 -0.102 0.000 1.009 822 R CA -0.195 55.821 56.100 -0.141 0.000 1.099 822 R CB -0.182 29.954 30.300 -0.273 0.000 0.965 822 R HN 0.342 nan 8.270 nan 0.000 0.428 823 S N 2.254 117.920 115.700 -0.058 0.000 2.576 823 S HA 0.138 4.593 4.470 -0.024 0.000 0.276 823 S C -1.491 173.091 174.600 -0.031 0.000 1.339 823 S CA -1.563 56.618 58.200 -0.031 0.000 1.039 823 S CB 0.843 64.038 63.200 -0.008 0.000 0.902 823 S HN 0.656 nan 8.310 nan 0.000 0.516 824 P HA -0.059 nan 4.420 nan 0.000 0.218 824 P C 1.062 178.369 177.300 0.012 0.000 1.149 824 P CA 0.953 64.049 63.100 -0.006 0.000 0.817 824 P CB 0.148 31.854 31.700 0.010 0.000 0.785 825 K N 0.406 120.816 120.400 0.017 0.000 1.973 825 K HA -0.110 4.195 4.320 -0.024 0.000 0.210 825 K C 0.767 177.386 176.600 0.032 0.000 1.045 825 K CA 0.510 56.813 56.287 0.026 0.000 0.937 825 K CB -1.352 31.163 32.500 0.025 0.000 0.721 825 K HN 0.298 nan 8.250 nan 0.000 0.438 826 E N 2.843 123.061 120.200 0.030 0.000 2.032 826 E HA -0.169 4.167 4.350 -0.024 0.000 0.352 826 E C -2.159 174.478 176.600 0.062 0.000 0.649 826 E CA -0.588 55.839 56.400 0.045 0.000 1.307 826 E CB -0.044 29.683 29.700 0.046 0.000 0.491 826 E HN -0.020 nan 8.360 nan 0.000 0.414 827 P HA -0.024 nan 4.420 nan 0.000 0.272 827 P C 0.470 177.802 177.300 0.054 0.000 1.240 827 P CA -0.146 62.983 63.100 0.050 0.000 0.791 827 P CB 0.517 32.242 31.700 0.043 0.000 0.978 828 L N 0.072 121.307 121.223 0.021 0.000 2.558 828 L HA 0.130 4.456 4.340 -0.024 0.000 0.225 828 L C 0.347 177.227 176.870 0.017 0.000 1.128 828 L CA 0.519 55.352 54.840 -0.011 0.000 0.868 828 L CB -0.299 41.697 42.059 -0.105 0.000 1.006 828 L HN 0.393 nan 8.230 nan 0.000 0.454 829 I N -5.738 114.862 120.570 0.049 0.000 2.743 829 I HA 0.422 4.578 4.170 -0.024 0.000 0.292 829 I C -0.486 175.683 176.117 0.088 0.000 1.343 829 I CA -0.569 60.784 61.300 0.088 0.000 1.038 829 I CB 1.674 39.754 38.000 0.132 0.000 1.311 829 I HN -0.338 nan 8.210 nan 0.000 0.426 830 S N 2.515 118.279 115.700 0.106 0.000 2.766 830 S HA 0.729 5.185 4.470 -0.024 0.000 0.307 830 S C 1.372 176.053 174.600 0.135 0.000 1.121 830 S CA -0.042 58.219 58.200 0.101 0.000 0.980 830 S CB 1.150 64.419 63.200 0.115 0.000 1.159 830 S HN 1.201 nan 8.310 nan 0.000 0.546 831 G N 1.032 109.893 108.800 0.103 0.000 2.550 831 G HA2 -0.236 3.710 3.960 -0.024 0.000 0.222 831 G HA3 -0.236 3.710 3.960 -0.024 0.000 0.222 831 G C 1.256 176.336 174.900 0.301 0.000 1.113 831 G CA 0.916 46.092 45.100 0.126 0.000 0.748 831 G HN 0.762 nan 8.290 nan 0.000 0.585 832 W N 0.056 121.413 121.300 0.096 0.000 2.539 832 W HA 0.047 4.693 4.660 -0.023 0.000 0.315 832 W C 1.967 178.541 176.519 0.092 0.000 1.148 832 W CA 0.245 57.655 57.345 0.108 0.000 1.403 832 W CB -0.332 29.168 29.460 0.067 0.000 1.168 832 W HN 0.119 nan 8.180 nan 0.000 0.489 833 L N 1.118 122.326 121.223 -0.026 0.000 2.349 833 L HA -0.203 4.122 4.340 -0.024 0.000 0.220 833 L C 2.209 178.769 176.870 -0.518 0.000 1.130 833 L CA 1.620 56.319 54.840 -0.235 0.000 0.791 833 L CB -1.702 40.370 42.059 0.021 0.000 0.918 833 L HN 0.076 nan 8.230 nan 0.000 0.444 834 F N -1.019 118.662 119.950 -0.449 0.000 2.074 834 F HA -0.228 4.284 4.527 -0.024 0.000 0.293 834 F C 2.291 177.760 175.800 -0.553 0.000 1.116 834 F CA 1.334 59.006 58.000 -0.546 0.000 1.212 834 F CB -0.510 38.381 39.000 -0.181 0.000 0.998 834 F HN 0.036 nan 8.300 nan 0.000 0.471 835 F N 1.222 120.993 119.950 -0.298 0.000 2.502 835 F HA 0.031 4.544 4.527 -0.023 0.000 0.298 835 F C 2.524 177.985 175.800 -0.565 0.000 1.111 835 F CA 1.058 58.838 58.000 -0.367 0.000 1.445 835 F CB -0.410 38.562 39.000 -0.047 0.000 1.081 835 F HN -0.072 nan 8.300 nan 0.000 0.558 836 R N -0.388 119.695 120.500 -0.696 0.000 2.148 836 R HA -0.165 4.160 4.340 -0.024 0.000 0.223 836 R C 1.071 177.098 176.300 -0.455 0.000 1.088 836 R CA 1.572 57.200 56.100 -0.786 0.000 0.985 836 R CB -0.318 29.337 30.300 -1.074 0.000 0.880 836 R HN 0.509 nan 8.270 nan 0.000 0.451 837 Y N -3.155 116.912 120.300 -0.388 0.000 2.636 837 Y HA 0.386 4.923 4.550 -0.023 0.000 0.260 837 Y C 0.795 176.475 175.900 -0.366 0.000 1.177 837 Y CA -0.697 57.219 58.100 -0.307 0.000 1.209 837 Y CB 0.290 38.623 38.460 -0.211 0.000 1.166 837 Y HN -0.121 nan 8.280 nan 0.000 0.531 838 M N 0.661 119.970 119.600 -0.485 0.000 2.541 838 M HA 0.318 4.784 4.480 -0.024 0.000 0.252 838 M C 1.980 178.013 176.300 -0.445 0.000 1.125 838 M CA 0.380 55.382 55.300 -0.496 0.000 1.091 838 M CB -0.861 31.284 32.600 -0.759 0.000 1.420 838 M HN 0.537 nan 8.290 nan 0.000 0.486 839 A N 0.677 123.217 122.820 -0.467 0.000 1.840 839 A HA -0.046 4.260 4.320 -0.024 0.000 0.214 839 A C 2.019 179.533 177.584 -0.118 0.000 1.198 839 A CA 0.989 52.843 52.037 -0.305 0.000 0.608 839 A CB -0.467 18.358 19.000 -0.292 0.000 0.839 839 A HN 0.306 nan 8.150 nan 0.000 0.443 840 I N 0.395 120.915 120.570 -0.083 0.000 2.264 840 I HA -0.207 3.948 4.170 -0.024 0.000 0.248 840 I C 2.609 178.738 176.117 0.021 0.000 1.111 840 I CA 1.508 62.815 61.300 0.012 0.000 1.382 840 I CB -2.042 35.965 38.000 0.011 0.000 1.060 840 I HN 0.366 nan 8.210 nan 0.000 0.418 841 G N 1.015 109.796 108.800 -0.031 0.000 2.552 841 G HA2 -0.202 3.744 3.960 -0.024 0.000 0.216 841 G HA3 -0.202 3.744 3.960 -0.024 0.000 0.216 841 G C 1.757 176.640 174.900 -0.030 0.000 1.240 841 G CA 1.043 46.117 45.100 -0.043 0.000 0.796 841 G HN 0.438 nan 8.290 nan 0.000 0.568 842 G N -0.021 108.751 108.800 -0.046 0.000 2.553 842 G HA2 -0.374 3.572 3.960 -0.024 0.000 0.218 842 G HA3 -0.374 3.572 3.960 -0.024 0.000 0.218 842 G C 1.716 176.637 174.900 0.035 0.000 1.195 842 G CA 1.448 46.541 45.100 -0.011 0.000 0.779 842 G HN 0.450 nan 8.290 nan 0.000 0.577 843 Y N 1.133 121.397 120.300 -0.060 0.000 2.207 843 Y HA -0.141 4.394 4.550 -0.024 0.000 0.287 843 Y C 2.876 178.757 175.900 -0.032 0.000 1.156 843 Y CA 1.646 59.722 58.100 -0.041 0.000 1.182 843 Y CB -0.356 38.077 38.460 -0.044 0.000 0.979 843 Y HN 0.056 nan 8.280 nan 0.000 0.521 844 V N -0.286 119.582 119.914 -0.077 0.000 2.307 844 V HA -0.241 3.865 4.120 -0.024 0.000 0.245 844 V C 2.602 178.610 176.094 -0.144 0.000 1.045 844 V CA 1.980 64.190 62.300 -0.150 0.000 1.024 844 V CB -1.477 30.308 31.823 -0.063 0.000 0.651 844 V HN 0.593 nan 8.190 nan 0.000 0.449 845 G N -0.694 108.059 108.800 -0.079 0.000 2.432 845 G HA2 -0.147 3.798 3.960 -0.024 0.000 0.219 845 G HA3 -0.147 3.798 3.960 -0.024 0.000 0.219 845 G C 1.661 176.530 174.900 -0.051 0.000 1.135 845 G CA 1.001 46.075 45.100 -0.043 0.000 0.767 845 G HN 0.606 nan 8.290 nan 0.000 0.550 846 A N 0.758 123.529 122.820 -0.081 0.000 1.975 846 A HA 0.524 4.829 4.320 -0.024 0.000 0.215 846 A C 2.715 180.220 177.584 -0.131 0.000 1.170 846 A CA 1.647 53.641 52.037 -0.071 0.000 0.656 846 A CB -0.470 18.506 19.000 -0.041 0.000 0.821 846 A HN 0.584 nan 8.150 nan 0.000 0.449 847 A N 0.189 122.846 122.820 -0.271 0.000 1.873 847 A HA -0.073 4.233 4.320 -0.024 0.000 0.215 847 A C 2.452 179.937 177.584 -0.165 0.000 1.186 847 A CA 2.465 54.320 52.037 -0.304 0.000 0.616 847 A CB -1.425 17.258 19.000 -0.528 0.000 0.823 847 A HN 0.648 nan 8.150 nan 0.000 0.442 848 T N -1.753 112.720 114.554 -0.136 0.000 2.622 848 T HA -0.164 4.172 4.350 -0.024 0.000 0.266 848 T C 1.728 176.408 174.700 -0.032 0.000 1.047 848 T CA 1.749 63.801 62.100 -0.079 0.000 1.159 848 T CB -1.088 67.743 68.868 -0.061 0.000 0.863 848 T HN 0.069 nan 8.240 nan 0.000 0.422 849 V N 2.236 122.141 119.914 -0.016 0.000 2.332 849 V HA -0.045 4.060 4.120 -0.024 0.000 0.248 849 V C 3.128 179.258 176.094 0.061 0.000 1.055 849 V CA 1.948 64.264 62.300 0.027 0.000 1.038 849 V CB -1.570 30.269 31.823 0.027 0.000 0.651 849 V HN 0.726 nan 8.190 nan 0.000 0.450 850 G N -0.670 108.153 108.800 0.039 0.000 2.448 850 G HA2 -0.174 3.772 3.960 -0.024 0.000 0.219 850 G HA3 -0.174 3.772 3.960 -0.024 0.000 0.219 850 G C 1.706 176.691 174.900 0.142 0.000 1.127 850 G CA 1.019 46.169 45.100 0.084 0.000 0.766 850 G HN 0.617 nan 8.290 nan 0.000 0.552 851 A N 1.050 123.912 122.820 0.070 0.000 1.897 851 A HA 0.372 4.677 4.320 -0.024 0.000 0.215 851 A C 2.796 180.516 177.584 0.225 0.000 1.181 851 A CA 2.008 54.099 52.037 0.089 0.000 0.620 851 A CB -0.695 18.282 19.000 -0.039 0.000 0.821 851 A HN 0.657 nan 8.150 nan 0.000 0.443 852 A N 0.030 122.940 122.820 0.150 0.000 1.855 852 A HA 0.185 4.491 4.320 -0.024 0.000 0.215 852 A C 2.542 180.322 177.584 0.327 0.000 1.191 852 A CA 2.120 54.255 52.037 0.163 0.000 0.613 852 A CB -1.182 17.897 19.000 0.132 0.000 0.829 852 A HN 1.063 nan 8.150 nan 0.000 0.442 853 A N -1.351 121.661 122.820 0.320 0.000 1.908 853 A HA -0.214 4.092 4.320 -0.024 0.000 0.218 853 A C 2.019 179.800 177.584 0.328 0.000 1.181 853 A CA 1.747 53.978 52.037 0.324 0.000 0.627 853 A CB -1.091 18.037 19.000 0.214 0.000 0.818 853 A HN 0.948 nan 8.150 nan 0.000 0.445 854 W N -0.898 120.509 121.300 0.180 0.000 2.338 854 W HA -0.221 4.425 4.660 -0.025 0.000 0.304 854 W C 2.005 178.615 176.519 0.152 0.000 1.212 854 W CA 1.857 59.317 57.345 0.191 0.000 1.264 854 W CB -0.489 29.050 29.460 0.132 0.000 1.142 854 W HN 0.485 nan 8.180 nan 0.000 0.512 855 W N -0.247 121.034 121.300 -0.032 0.000 2.409 855 W HA -0.107 4.540 4.660 -0.022 0.000 0.299 855 W C 2.160 178.436 176.519 -0.404 0.000 1.203 855 W CA 2.101 59.197 57.345 -0.416 0.000 1.298 855 W CB -0.941 28.389 29.460 -0.216 0.000 1.127 855 W HN -0.120 nan 8.180 nan 0.000 0.528 856 F N -0.189 119.891 119.950 0.216 0.000 2.269 856 F HA -0.211 4.301 4.527 -0.024 0.000 0.301 856 F C 2.139 177.785 175.800 -0.258 0.000 1.082 856 F CA 1.321 59.364 58.000 0.070 0.000 1.360 856 F CB -0.150 38.963 39.000 0.188 0.000 1.041 856 F HN -0.115 nan 8.300 nan 0.000 0.512 857 M N -2.092 117.383 119.600 -0.209 0.000 2.547 857 M HA 0.041 4.506 4.480 -0.024 0.000 0.151 857 M C 1.236 177.136 176.300 -0.667 0.000 1.481 857 M CA 0.460 55.426 55.300 -0.556 0.000 1.387 857 M CB -0.740 31.298 32.600 -0.936 0.000 0.782 857 M HN -0.198 nan 8.290 nan 0.000 0.480 858 Y N 0.816 120.870 120.300 -0.410 0.000 2.619 858 Y HA 0.280 4.816 4.550 -0.024 0.000 0.308 858 Y C 0.851 176.362 175.900 -0.648 0.000 1.192 858 Y CA -0.387 57.477 58.100 -0.395 0.000 1.319 858 Y CB -1.162 37.177 38.460 -0.201 0.000 1.030 858 Y HN 0.171 nan 8.280 nan 0.000 0.517 859 A N 0.164 122.430 122.820 -0.923 0.000 2.301 859 A HA 0.302 4.607 4.320 -0.024 0.000 0.312 859 A C 0.855 177.984 177.584 -0.758 0.000 1.182 859 A CA -0.590 50.740 52.037 -1.177 0.000 0.826 859 A CB 0.634 18.471 19.000 -1.940 0.000 1.134 859 A HN 0.428 nan 8.150 nan 0.000 0.501 860 E N 0.905 120.814 120.200 -0.486 0.000 2.047 860 E HA -0.121 4.214 4.350 -0.024 0.000 0.191 860 E C -0.499 175.905 176.600 -0.327 0.000 0.987 860 E CA 1.732 57.951 56.400 -0.302 0.000 0.799 860 E CB 0.046 29.664 29.700 -0.137 0.000 0.752 860 E HN 0.800 nan 8.360 nan 0.000 0.449 861 D N -0.623 119.573 120.400 -0.340 0.000 2.683 861 D HA 0.433 5.059 4.640 -0.024 0.000 0.309 861 D C -0.823 175.255 176.300 -0.371 0.000 1.238 861 D CA -0.092 53.760 54.000 -0.248 0.000 0.936 861 D CB 1.395 42.165 40.800 -0.050 0.000 1.001 861 D HN 0.185 nan 8.370 nan 0.000 0.505 862 G N 1.839 110.049 108.800 -0.984 0.000 2.492 862 G HA2 -0.060 3.885 3.960 -0.024 0.000 0.283 862 G HA3 -0.060 3.885 3.960 -0.024 0.000 0.283 862 G C -2.276 172.242 174.900 -0.637 0.000 1.274 862 G CA -0.979 43.628 45.100 -0.820 0.000 1.215 862 G HN 0.039 nan 8.290 nan 0.000 0.598 863 P HA 0.108 nan 4.420 nan 0.000 0.214 863 P C 1.452 178.630 177.300 -0.203 0.000 1.163 863 P CA 2.077 64.973 63.100 -0.341 0.000 0.883 863 P CB 0.311 31.898 31.700 -0.187 0.000 0.788 864 G N -2.268 106.407 108.800 -0.208 0.000 2.569 864 G HA2 0.560 4.506 3.960 -0.024 0.000 0.300 864 G HA3 0.560 4.506 3.960 -0.024 0.000 0.300 864 G C -1.037 173.743 174.900 -0.200 0.000 1.269 864 G CA -0.630 44.291 45.100 -0.299 0.000 0.959 864 G HN 0.016 nan 8.290 nan 0.000 0.478 865 V N -1.177 118.581 119.914 -0.261 0.000 3.760 865 V HA -0.167 3.939 4.120 -0.024 0.000 0.535 865 V C 1.305 177.359 176.094 -0.067 0.000 0.682 865 V CA 2.100 64.266 62.300 -0.223 0.000 2.097 865 V CB -0.928 30.825 31.823 -0.116 0.000 2.497 865 V HN 2.044 nan 8.190 nan 0.000 0.518 866 T N -2.425 112.134 114.554 0.008 0.000 3.939 866 T HA 0.163 4.499 4.350 -0.024 0.000 0.285 866 T C 0.504 175.337 174.700 0.221 0.000 0.828 866 T CA 1.083 63.240 62.100 0.095 0.000 1.205 866 T CB 0.203 69.139 68.868 0.114 0.000 0.943 866 T HN 1.746 nan 8.240 nan 0.000 0.427 867 Y N 0.693 120.958 120.300 -0.060 0.000 2.831 867 Y HA -0.349 4.187 4.550 -0.024 0.000 0.470 867 Y C 1.687 177.610 175.900 0.040 0.000 1.182 867 Y CA 1.844 59.934 58.100 -0.017 0.000 2.629 867 Y CB -1.642 36.811 38.460 -0.012 0.000 1.177 867 Y HN 0.562 nan 8.280 nan 0.000 0.615 868 H N 0.674 119.831 119.070 0.145 0.000 2.482 868 H HA 0.056 4.597 4.556 -0.024 0.000 0.286 868 H C 1.848 177.232 175.328 0.094 0.000 1.017 868 H CA 1.963 58.071 56.048 0.100 0.000 1.322 868 H CB 0.034 29.833 29.762 0.061 0.000 1.426 868 H HN 0.501 nan 8.280 nan 0.000 0.546 869 Q N -0.541 119.283 119.800 0.040 0.000 2.084 869 Q HA -0.138 4.188 4.340 -0.024 0.000 0.202 869 Q C 2.032 178.025 176.000 -0.012 0.000 0.978 869 Q CA 1.380 57.132 55.803 -0.085 0.000 0.844 869 Q CB -0.123 28.550 28.738 -0.107 0.000 0.898 869 Q HN 0.327 nan 8.270 nan 0.000 0.426 870 L N 0.688 121.900 121.223 -0.018 0.000 1.990 870 L HA -0.201 4.124 4.340 -0.024 0.000 0.213 870 L C 2.418 179.190 176.870 -0.163 0.000 1.072 870 L CA 2.555 57.328 54.840 -0.113 0.000 0.755 870 L CB -1.116 40.893 42.059 -0.083 0.000 0.889 870 L HN 0.398 nan 8.230 nan 0.000 0.432 871 T N -4.175 110.217 114.554 -0.271 0.000 3.113 871 T HA -0.097 4.238 4.350 -0.024 0.000 0.263 871 T C 1.010 175.244 174.700 -0.776 0.000 1.143 871 T CA 0.997 62.804 62.100 -0.488 0.000 1.090 871 T CB -0.528 67.950 68.868 -0.649 0.000 0.922 871 T HN 0.539 nan 8.240 nan 0.000 0.521 872 H N -0.019 118.901 119.070 -0.251 0.000 2.665 872 H HA 0.233 4.775 4.556 -0.024 0.000 0.248 872 H C 0.887 176.031 175.328 -0.307 0.000 1.175 872 H CA -0.595 55.261 56.048 -0.320 0.000 0.952 872 H CB -0.279 29.321 29.762 -0.271 0.000 1.883 872 H HN 0.547 nan 8.280 nan 0.000 0.623 873 F N -0.065 119.625 119.950 -0.433 0.000 2.236 873 F HA -0.182 4.330 4.527 -0.024 0.000 0.302 873 F C 2.011 177.450 175.800 -0.602 0.000 1.073 873 F CA 0.749 58.230 58.000 -0.865 0.000 1.336 873 F CB -0.531 37.549 39.000 -1.533 0.000 1.040 873 F HN -0.037 nan 8.300 nan 0.000 0.507 874 M N 0.652 119.466 119.600 -1.311 0.000 2.149 874 M HA -0.220 4.246 4.480 -0.024 0.000 0.261 874 M C 1.884 177.877 176.300 -0.513 0.000 1.064 874 M CA 1.671 56.421 55.300 -0.916 0.000 1.102 874 M CB -1.266 30.784 32.600 -0.917 0.000 1.369 874 M HN 0.410 nan 8.290 nan 0.000 0.408 875 Q N -1.093 118.460 119.800 -0.411 0.000 2.415 875 Q HA -0.053 4.273 4.340 -0.024 0.000 0.206 875 Q C 2.122 177.859 176.000 -0.437 0.000 0.946 875 Q CA 0.017 55.664 55.803 -0.260 0.000 0.951 875 Q CB -0.227 28.481 28.738 -0.050 0.000 1.026 875 Q HN 0.565 nan 8.270 nan 0.000 0.510 876 c N 0.311 118.373 118.600 -0.898 0.000 2.429 876 c HA -0.152 4.403 4.570 -0.024 0.000 0.277 876 c C 2.543 176.371 174.090 -0.437 0.000 1.262 876 c CA 1.711 57.229 56.329 -1.352 0.000 1.733 876 c CB -0.695 41.163 42.510 -1.087 0.000 2.010 876 c HN 0.601 nan 8.230 nan 0.000 0.483 877 T N -0.090 114.316 114.554 -0.247 0.000 2.737 877 T HA -0.115 4.221 4.350 -0.024 0.000 0.265 877 T C 1.700 176.360 174.700 -0.067 0.000 1.038 877 T CA 1.403 63.443 62.100 -0.100 0.000 1.144 877 T CB -0.351 68.466 68.868 -0.086 0.000 0.866 877 T HN 0.577 nan 8.240 nan 0.000 0.434 878 E N 1.170 121.315 120.200 -0.091 0.000 2.072 878 E HA -0.058 4.278 4.350 -0.024 0.000 0.190 878 E C 0.797 177.390 176.600 -0.012 0.000 0.982 878 E CA 0.948 57.315 56.400 -0.055 0.000 0.803 878 E CB -0.126 29.530 29.700 -0.073 0.000 0.755 878 E HN 0.378 nan 8.360 nan 0.000 0.453 879 D N -0.437 119.973 120.400 0.018 0.000 3.018 879 D HA -0.013 4.612 4.640 -0.024 0.000 0.331 879 D C 0.883 177.287 176.300 0.174 0.000 1.334 879 D CA -0.164 53.887 54.000 0.085 0.000 0.900 879 D CB -0.296 40.619 40.800 0.192 0.000 1.059 879 D HN 0.089 nan 8.370 nan 0.000 0.498 880 H N 0.468 119.568 119.070 0.050 0.000 2.491 880 H HA 0.030 4.572 4.556 -0.024 0.000 0.290 880 H C -1.223 174.182 175.328 0.129 0.000 1.050 880 H CA 0.463 56.587 56.048 0.126 0.000 1.309 880 H CB -0.040 29.748 29.762 0.043 0.000 1.392 880 H HN 0.238 nan 8.280 nan 0.000 0.554 881 P HA 0.035 nan 4.420 nan 0.000 0.263 881 P C -0.013 177.182 177.300 -0.175 0.000 1.386 881 P CA 1.001 64.055 63.100 -0.077 0.000 0.797 881 P CB -0.557 31.059 31.700 -0.139 0.000 1.381 882 H N -3.027 116.057 119.070 0.023 0.000 2.926 882 H HA 0.254 4.796 4.556 -0.024 0.000 0.249 882 H C 0.389 175.517 175.328 -0.333 0.000 0.963 882 H CA -0.033 55.926 56.048 -0.148 0.000 1.158 882 H CB 0.210 29.853 29.762 -0.199 0.000 1.445 882 H HN 0.039 nan 8.280 nan 0.000 0.452 883 F N 2.594 122.494 119.950 -0.084 0.000 2.954 883 F HA 0.115 4.628 4.527 -0.024 0.000 0.300 883 F C 0.317 175.902 175.800 -0.358 0.000 1.206 883 F CA -0.410 57.496 58.000 -0.156 0.000 1.345 883 F CB -0.005 38.940 39.000 -0.092 0.000 1.206 883 F HN -0.023 nan 8.300 nan 0.000 0.537 884 E N 0.853 120.987 120.200 -0.110 0.000 2.529 884 E HA 0.046 4.381 4.350 -0.024 0.000 0.259 884 E C 1.333 177.940 176.600 0.012 0.000 0.966 884 E CA 1.111 57.480 56.400 -0.050 0.000 0.937 884 E CB 0.717 30.415 29.700 -0.003 0.000 0.923 884 E HN 0.689 nan 8.360 nan 0.000 0.468 885 G N 2.755 111.610 108.800 0.092 0.000 2.396 885 G HA2 -0.323 3.623 3.960 -0.024 0.000 0.242 885 G HA3 -0.323 3.623 3.960 -0.024 0.000 0.242 885 G C 0.382 175.343 174.900 0.103 0.000 1.069 885 G CA 0.351 45.505 45.100 0.089 0.000 0.633 885 G HN 0.426 nan 8.290 nan 0.000 0.517 886 L N 1.376 122.660 121.223 0.101 0.000 2.397 886 L HA 0.539 4.865 4.340 -0.024 0.000 0.271 886 L C 0.320 177.308 176.870 0.196 0.000 1.148 886 L CA -0.704 54.196 54.840 0.100 0.000 0.825 886 L CB 0.726 42.846 42.059 0.101 0.000 1.117 886 L HN 0.151 nan 8.230 nan 0.000 0.456 887 D N 0.915 121.380 120.400 0.109 0.000 2.308 887 D HA 0.101 4.726 4.640 -0.024 0.000 0.251 887 D C -0.046 176.316 176.300 0.103 0.000 1.127 887 D CA -0.448 53.622 54.000 0.116 0.000 0.876 887 D CB 1.201 42.032 40.800 0.052 0.000 1.176 887 D HN 0.517 nan 8.370 nan 0.000 0.446 888 c N 3.909 122.603 118.600 0.157 0.000 2.609 888 c HA 0.105 4.661 4.570 -0.024 0.000 0.445 888 c C 1.510 175.692 174.090 0.155 0.000 1.296 888 c CA 0.101 56.532 56.329 0.169 0.000 1.491 888 c CB -1.816 40.763 42.510 0.115 0.000 1.669 888 c HN 0.666 nan 8.230 nan 0.000 0.600 889 E N -0.823 119.433 120.200 0.094 0.000 2.633 889 E HA 0.162 4.497 4.350 -0.024 0.000 0.214 889 E C 1.630 178.256 176.600 0.043 0.000 0.898 889 E CA -0.066 56.383 56.400 0.081 0.000 1.422 889 E CB 0.280 30.009 29.700 0.049 0.000 1.398 889 E HN 0.552 nan 8.360 nan 0.000 0.752 890 I N 0.733 121.264 120.570 -0.065 0.000 2.423 890 I HA -0.223 3.932 4.170 -0.024 0.000 0.254 890 I C 1.328 177.494 176.117 0.082 0.000 1.151 890 I CA 1.307 62.574 61.300 -0.055 0.000 1.421 890 I CB -0.403 37.496 38.000 -0.169 0.000 1.079 890 I HN 0.097 nan 8.210 nan 0.000 0.431 891 F N 1.116 121.199 119.950 0.222 0.000 2.771 891 F HA -0.022 4.490 4.527 -0.025 0.000 0.299 891 F C 1.893 177.738 175.800 0.075 0.000 1.177 891 F CA 0.516 58.555 58.000 0.065 0.000 1.450 891 F CB -0.300 38.600 39.000 -0.166 0.000 1.114 891 F HN 0.111 nan 8.300 nan 0.000 0.587 892 E N 0.170 120.494 120.200 0.206 0.000 2.526 892 E HA 0.249 4.585 4.350 -0.024 0.000 0.208 892 E C 0.868 177.476 176.600 0.014 0.000 0.997 892 E CA -0.317 56.143 56.400 0.100 0.000 0.961 892 E CB 0.426 30.170 29.700 0.074 0.000 1.030 892 E HN 0.196 nan 8.360 nan 0.000 0.483 893 A N 2.436 125.248 122.820 -0.014 0.000 2.587 893 A HA 0.014 4.320 4.320 -0.024 0.000 0.235 893 A C -1.665 175.719 177.584 -0.334 0.000 1.044 893 A CA -0.700 51.211 52.037 -0.210 0.000 0.754 893 A CB 0.079 18.857 19.000 -0.369 0.000 0.968 893 A HN -0.043 nan 8.150 nan 0.000 0.509 894 P HA -0.019 nan 4.420 nan 0.000 0.225 894 P C 0.853 177.881 177.300 -0.454 0.000 1.156 894 P CA 0.880 63.799 63.100 -0.301 0.000 0.787 894 P CB 0.270 31.842 31.700 -0.214 0.000 0.802 895 E N 0.774 120.561 120.200 -0.688 0.000 2.021 895 E HA -0.171 4.164 4.350 -0.024 0.000 0.200 895 E C -0.437 175.586 176.600 -0.962 0.000 1.015 895 E CA 2.225 58.076 56.400 -0.915 0.000 0.824 895 E CB -2.214 26.627 29.700 -1.432 0.000 0.762 895 E HN 0.374 nan 8.360 nan 0.000 0.454 896 P HA -0.218 nan 4.420 nan 0.000 0.215 896 P C 1.390 178.475 177.300 -0.358 0.000 1.157 896 P CA 1.694 64.361 63.100 -0.723 0.000 0.874 896 P CB -0.091 31.141 31.700 -0.781 0.000 0.790 897 M N -0.800 118.609 119.600 -0.318 0.000 2.080 897 M HA -0.128 4.337 4.480 -0.024 0.000 0.260 897 M C 2.165 178.350 176.300 -0.191 0.000 1.068 897 M CA 2.423 57.612 55.300 -0.185 0.000 1.109 897 M CB -1.435 31.077 32.600 -0.146 0.000 1.342 897 M HN -0.028 nan 8.290 nan 0.000 0.405 898 T N 0.391 114.788 114.554 -0.262 0.000 2.833 898 T HA -0.120 4.216 4.350 -0.024 0.000 0.269 898 T C 1.809 176.350 174.700 -0.264 0.000 1.054 898 T CA 1.047 62.994 62.100 -0.255 0.000 1.135 898 T CB -0.087 68.598 68.868 -0.306 0.000 0.869 898 T HN 0.265 nan 8.240 nan 0.000 0.466 899 M N 1.145 120.588 119.600 -0.263 0.000 2.080 899 M HA -0.020 4.446 4.480 -0.024 0.000 0.260 899 M C 2.801 179.005 176.300 -0.161 0.000 1.068 899 M CA 1.564 56.743 55.300 -0.202 0.000 1.109 899 M CB -1.382 31.180 32.600 -0.064 0.000 1.342 899 M HN 0.339 nan 8.290 nan 0.000 0.405 900 A N -0.053 122.693 122.820 -0.123 0.000 1.873 900 A HA -0.139 4.167 4.320 -0.024 0.000 0.215 900 A C 2.197 179.733 177.584 -0.079 0.000 1.186 900 A CA 1.354 53.341 52.037 -0.084 0.000 0.616 900 A CB -0.956 18.011 19.000 -0.055 0.000 0.823 900 A HN 0.430 nan 8.150 nan 0.000 0.442 901 L N 0.019 121.202 121.223 -0.068 0.000 2.083 901 L HA -0.086 4.240 4.340 -0.024 0.000 0.209 901 L C 2.335 179.195 176.870 -0.016 0.000 1.083 901 L CA 2.609 57.441 54.840 -0.013 0.000 0.752 901 L CB -0.512 41.557 42.059 0.017 0.000 0.899 901 L HN 0.257 nan 8.230 nan 0.000 0.433 902 S N -1.426 114.224 115.700 -0.083 0.000 2.428 902 S HA -0.079 4.376 4.470 -0.024 0.000 0.230 902 S C 1.909 176.409 174.600 -0.167 0.000 1.014 902 S CA 1.091 59.178 58.200 -0.188 0.000 0.957 902 S CB -0.192 62.748 63.200 -0.432 0.000 0.784 902 S HN 0.334 nan 8.310 nan 0.000 0.499 903 V N 1.629 121.458 119.914 -0.142 0.000 2.346 903 V HA -0.064 4.042 4.120 -0.024 0.000 0.244 903 V C 2.170 178.215 176.094 -0.081 0.000 1.037 903 V CA 1.170 63.404 62.300 -0.110 0.000 1.029 903 V CB -0.516 31.227 31.823 -0.132 0.000 0.663 903 V HN 0.356 nan 8.190 nan 0.000 0.454 904 L N 0.181 121.358 121.223 -0.076 0.000 1.963 904 L HA -0.203 4.123 4.340 -0.024 0.000 0.220 904 L C 2.406 179.250 176.870 -0.043 0.000 1.076 904 L CA 2.254 57.061 54.840 -0.055 0.000 0.772 904 L CB -0.822 41.215 42.059 -0.036 0.000 0.892 904 L HN 0.135 nan 8.230 nan 0.000 0.435 905 V N -0.571 119.311 119.914 -0.054 0.000 2.252 905 V HA -0.385 3.721 4.120 -0.024 0.000 0.249 905 V C 2.501 178.564 176.094 -0.051 0.000 1.056 905 V CA 2.436 64.694 62.300 -0.069 0.000 1.022 905 V CB -1.135 30.571 31.823 -0.195 0.000 0.641 905 V HN 0.635 nan 8.190 nan 0.000 0.445 906 T N 0.177 114.701 114.554 -0.050 0.000 2.684 906 T HA -0.172 4.164 4.350 -0.024 0.000 0.267 906 T C 1.795 176.515 174.700 0.035 0.000 1.036 906 T CA 1.963 64.073 62.100 0.016 0.000 1.148 906 T CB -0.316 68.591 68.868 0.065 0.000 0.863 906 T HN 0.355 nan 8.240 nan 0.000 0.436 907 I N 0.872 121.456 120.570 0.024 0.000 2.226 907 I HA -0.144 4.012 4.170 -0.024 0.000 0.245 907 I C 2.697 178.851 176.117 0.062 0.000 1.100 907 I CA 1.147 62.478 61.300 0.051 0.000 1.374 907 I CB -0.376 37.646 38.000 0.036 0.000 1.057 907 I HN 0.163 nan 8.210 nan 0.000 0.413 908 E N 0.373 120.599 120.200 0.042 0.000 2.106 908 E HA -0.163 4.173 4.350 -0.024 0.000 0.192 908 E C 2.231 178.941 176.600 0.183 0.000 0.984 908 E CA 1.091 57.542 56.400 0.086 0.000 0.806 908 E CB -0.197 29.520 29.700 0.027 0.000 0.750 908 E HN 0.385 nan 8.360 nan 0.000 0.458 909 M N 0.091 119.754 119.600 0.106 0.000 2.086 909 M HA -0.141 4.324 4.480 -0.024 0.000 0.261 909 M C 2.593 178.941 176.300 0.080 0.000 1.067 909 M CA 0.998 56.349 55.300 0.085 0.000 1.116 909 M CB -1.515 31.115 32.600 0.049 0.000 1.348 909 M HN 0.163 nan 8.290 nan 0.000 0.407 910 C N 0.718 120.065 119.300 0.079 0.000 2.413 910 C HA -0.147 4.298 4.460 -0.024 0.000 0.277 910 C C 2.582 177.625 174.990 0.087 0.000 1.265 910 C CA 1.190 60.252 59.018 0.072 0.000 1.752 910 C CB -1.584 26.200 27.740 0.073 0.000 1.998 910 C HN 0.617 nan 8.230 nan 0.000 0.489 911 N N 1.083 119.864 118.700 0.135 0.000 2.270 911 N HA -0.027 4.699 4.740 -0.024 0.000 0.181 911 N C 1.692 177.349 175.510 0.244 0.000 1.016 911 N CA 1.452 54.615 53.050 0.189 0.000 0.870 911 N CB -0.297 38.307 38.487 0.194 0.000 0.979 911 N HN 0.460 nan 8.380 nan 0.000 0.431 912 A N 0.302 123.233 122.820 0.185 0.000 2.070 912 A HA -0.029 4.276 4.320 -0.024 0.000 0.220 912 A C 2.173 179.687 177.584 -0.116 0.000 1.159 912 A CA 0.827 52.750 52.037 -0.190 0.000 0.656 912 A CB -0.484 18.364 19.000 -0.253 0.000 0.800 912 A HN 0.356 nan 8.150 nan 0.000 0.453 913 L N -0.881 120.331 121.223 -0.018 0.000 2.127 913 L HA -0.082 4.244 4.340 -0.024 0.000 0.203 913 L C 1.921 178.791 176.870 0.000 0.000 1.080 913 L CA 0.832 55.663 54.840 -0.015 0.000 0.768 913 L CB -0.754 41.304 42.059 -0.000 0.000 0.924 913 L HN 0.219 nan 8.230 nan 0.000 0.444 914 N N 0.020 118.741 118.700 0.035 0.000 2.334 914 N HA -0.149 4.577 4.740 -0.024 0.000 0.187 914 N C 1.712 177.255 175.510 0.055 0.000 1.016 914 N CA 1.205 54.285 53.050 0.050 0.000 0.879 914 N CB -0.293 38.238 38.487 0.072 0.000 0.965 914 N HN 0.158 nan 8.380 nan 0.000 0.438 915 S N 0.106 115.833 115.700 0.046 0.000 2.575 915 S HA 0.254 4.710 4.470 -0.024 0.000 0.215 915 S C 1.740 176.343 174.600 0.005 0.000 0.966 915 S CA -0.266 57.959 58.200 0.041 0.000 0.911 915 S CB 0.214 63.440 63.200 0.044 0.000 0.780 915 S HN 0.258 nan 8.310 nan 0.000 0.514 916 L N 0.731 121.950 121.223 -0.007 0.000 2.083 916 L HA 0.006 4.331 4.340 -0.024 0.000 0.209 916 L C 1.210 178.085 176.870 0.009 0.000 1.083 916 L CA 0.852 55.689 54.840 -0.006 0.000 0.752 916 L CB -0.121 41.925 42.059 -0.022 0.000 0.899 916 L HN 0.262 nan 8.230 nan 0.000 0.433 917 S N -1.463 114.247 115.700 0.016 0.000 2.571 917 S HA 0.131 4.587 4.470 -0.024 0.000 0.284 917 S C 0.527 175.156 174.600 0.048 0.000 1.128 917 S CA -0.768 57.448 58.200 0.027 0.000 0.970 917 S CB 2.019 65.230 63.200 0.017 0.000 1.039 917 S HN 0.270 nan 8.310 nan 0.000 0.485 918 E N 3.273 123.507 120.200 0.056 0.000 2.110 918 E HA -0.148 4.188 4.350 -0.024 0.000 0.193 918 E C 0.706 177.370 176.600 0.107 0.000 0.988 918 E CA 1.593 58.041 56.400 0.081 0.000 0.804 918 E CB 0.093 29.841 29.700 0.081 0.000 0.745 918 E HN 0.666 nan 8.360 nan 0.000 0.458 919 N N -0.827 117.926 118.700 0.088 0.000 2.509 919 N HA 0.015 4.740 4.740 -0.024 0.000 0.254 919 N C -0.451 175.100 175.510 0.069 0.000 1.064 919 N CA 0.000 53.109 53.050 0.099 0.000 0.865 919 N CB 0.208 38.747 38.487 0.087 0.000 1.659 919 N HN -0.001 nan 8.380 nan 0.000 0.495 920 Q N 1.778 121.603 119.800 0.041 0.000 2.239 920 Q HA 0.142 4.467 4.340 -0.024 0.000 0.286 920 Q C -0.124 175.898 176.000 0.036 0.000 1.102 920 Q CA 0.295 56.114 55.803 0.026 0.000 0.936 920 Q CB 0.348 29.091 28.738 0.009 0.000 1.127 920 Q HN 0.115 nan 8.270 nan 0.000 0.380 921 S N 2.239 117.977 115.700 0.063 0.000 2.542 921 S HA -0.091 4.365 4.470 -0.024 0.000 0.287 921 S C 1.254 175.862 174.600 0.014 0.000 1.315 921 S CA -0.072 58.174 58.200 0.075 0.000 1.037 921 S CB 0.339 63.624 63.200 0.142 0.000 0.822 921 S HN 0.543 nan 8.310 nan 0.000 0.513 922 L N 1.919 123.140 121.223 -0.003 0.000 2.610 922 L HA -0.030 4.295 4.340 -0.024 0.000 0.232 922 L C 1.895 178.702 176.870 -0.106 0.000 1.149 922 L CA 0.567 55.368 54.840 -0.065 0.000 0.872 922 L CB -0.568 41.461 42.059 -0.050 0.000 0.992 922 L HN 0.692 nan 8.230 nan 0.000 0.447 923 M N -0.534 119.036 119.600 -0.049 0.000 2.134 923 M HA -0.053 4.412 4.480 -0.024 0.000 0.262 923 M C 2.182 178.441 176.300 -0.068 0.000 1.076 923 M CA 1.583 56.852 55.300 -0.050 0.000 1.143 923 M CB -0.204 32.401 32.600 0.008 0.000 1.346 923 M HN 0.148 nan 8.290 nan 0.000 0.421 924 R N -0.028 120.455 120.500 -0.027 0.000 2.246 924 R HA 0.179 4.504 4.340 -0.024 0.000 0.199 924 R C 0.830 177.093 176.300 -0.063 0.000 0.984 924 R CA 0.470 56.557 56.100 -0.020 0.000 1.015 924 R CB 0.035 30.349 30.300 0.024 0.000 0.930 924 R HN 0.338 nan 8.270 nan 0.000 0.475 925 M N 2.314 121.855 119.600 -0.099 0.000 2.182 925 M HA 0.338 4.803 4.480 -0.024 0.000 0.285 925 M C -2.613 173.525 176.300 -0.271 0.000 0.956 925 M CA -2.256 52.960 55.300 -0.139 0.000 0.878 925 M CB 1.427 33.981 32.600 -0.076 0.000 1.373 925 M HN -0.294 nan 8.290 nan 0.000 0.393 926 P HA 0.017 nan 4.420 nan 0.000 0.259 926 P C -2.335 174.508 177.300 -0.761 0.000 1.163 926 P CA -0.440 62.065 63.100 -0.992 0.000 0.760 926 P CB 0.009 30.500 31.700 -2.014 0.000 0.762 927 P HA -0.071 nan 4.420 nan 0.000 0.244 927 P C 0.146 177.407 177.300 -0.063 0.000 1.211 927 P CA 0.662 63.641 63.100 -0.201 0.000 0.760 927 P CB -0.450 31.193 31.700 -0.095 0.000 0.961 928 W N -2.911 118.396 121.300 0.012 0.000 3.278 928 W HA 0.278 4.923 4.660 -0.025 0.000 0.308 928 W C 1.005 177.528 176.519 0.007 0.000 1.253 928 W CA -0.282 57.064 57.345 0.001 0.000 1.759 928 W CB -1.555 27.902 29.460 -0.006 0.000 1.093 928 W HN -0.342 nan 8.180 nan 0.000 0.648 929 V N 2.200 122.152 119.914 0.064 0.000 2.219 929 V HA -0.310 3.796 4.120 -0.024 0.000 0.248 929 V C 1.238 177.421 176.094 0.148 0.000 1.053 929 V CA 2.194 64.558 62.300 0.107 0.000 1.009 929 V CB -0.875 30.957 31.823 0.016 0.000 0.636 929 V HN 0.314 nan 8.190 nan 0.000 0.445 930 N N 0.940 119.720 118.700 0.132 0.000 2.558 930 N HA 0.119 4.844 4.740 -0.024 0.000 0.233 930 N C 0.521 176.118 175.510 0.146 0.000 1.038 930 N CA -0.169 52.997 53.050 0.194 0.000 0.934 930 N CB 0.689 39.294 38.487 0.198 0.000 1.175 930 N HN 0.123 nan 8.380 nan 0.000 0.512 931 I N 1.670 122.267 120.570 0.044 0.000 2.614 931 I HA -0.139 4.016 4.170 -0.024 0.000 0.258 931 I C 1.736 177.767 176.117 -0.144 0.000 1.189 931 I CA 0.509 61.734 61.300 -0.125 0.000 1.462 931 I CB -0.716 37.087 38.000 -0.329 0.000 1.092 931 I HN 0.602 nan 8.210 nan 0.000 0.442 932 W N 0.152 121.486 121.300 0.058 0.000 2.436 932 W HA -0.103 4.542 4.660 -0.025 0.000 0.284 932 W C 2.343 178.816 176.519 -0.076 0.000 1.225 932 W CA 0.246 57.597 57.345 0.011 0.000 1.271 932 W CB -0.465 29.037 29.460 0.070 0.000 1.114 932 W HN 0.152 nan 8.180 nan 0.000 0.559 933 L N 0.621 121.931 121.223 0.146 0.000 2.093 933 L HA -0.123 4.202 4.340 -0.024 0.000 0.208 933 L C 2.183 179.055 176.870 0.005 0.000 1.085 933 L CA 1.779 56.630 54.840 0.019 0.000 0.755 933 L CB -1.027 41.035 42.059 0.005 0.000 0.904 933 L HN -0.157 nan 8.230 nan 0.000 0.435 934 L N -1.201 120.035 121.223 0.022 0.000 2.023 934 L HA -0.017 4.309 4.340 -0.024 0.000 0.205 934 L C 2.587 179.458 176.870 0.002 0.000 1.073 934 L CA 1.185 56.033 54.840 0.013 0.000 0.745 934 L CB -1.752 40.318 42.059 0.019 0.000 0.900 934 L HN 0.366 nan 8.230 nan 0.000 0.435 935 G N -0.416 108.379 108.800 -0.008 0.000 2.469 935 G HA2 -0.335 3.610 3.960 -0.024 0.000 0.220 935 G HA3 -0.335 3.610 3.960 -0.024 0.000 0.220 935 G C 1.822 176.729 174.900 0.011 0.000 1.136 935 G CA 1.204 46.301 45.100 -0.005 0.000 0.759 935 G HN 0.381 nan 8.290 nan 0.000 0.562 936 S N 0.452 116.157 115.700 0.008 0.000 2.351 936 S HA -0.124 4.332 4.470 -0.024 0.000 0.220 936 S C 2.422 177.015 174.600 -0.012 0.000 1.035 936 S CA 1.403 59.591 58.200 -0.019 0.000 1.031 936 S CB -0.366 62.795 63.200 -0.065 0.000 0.928 936 S HN 0.360 nan 8.310 nan 0.000 0.433 937 I N 1.103 121.668 120.570 -0.009 0.000 2.264 937 I HA -0.237 3.918 4.170 -0.024 0.000 0.248 937 I C 2.600 178.735 176.117 0.030 0.000 1.111 937 I CA 1.087 62.392 61.300 0.008 0.000 1.382 937 I CB -0.553 37.453 38.000 0.010 0.000 1.060 937 I HN 0.447 nan 8.210 nan 0.000 0.418 938 C N -0.014 119.302 119.300 0.026 0.000 2.425 938 C HA -0.141 4.305 4.460 -0.024 0.000 0.277 938 C C 2.675 177.698 174.990 0.056 0.000 1.280 938 C CA 0.300 59.340 59.018 0.037 0.000 1.744 938 C CB -0.892 26.858 27.740 0.017 0.000 1.989 938 C HN 0.477 nan 8.230 nan 0.000 0.491 939 L N 1.394 122.644 121.223 0.045 0.000 1.976 939 L HA -0.099 4.226 4.340 -0.024 0.000 0.209 939 L C 2.627 179.548 176.870 0.085 0.000 1.071 939 L CA 2.126 57.000 54.840 0.057 0.000 0.746 939 L CB -1.140 40.939 42.059 0.033 0.000 0.890 939 L HN 0.236 nan 8.230 nan 0.000 0.432 940 S N -0.732 115.006 115.700 0.063 0.000 2.365 940 S HA -0.273 4.182 4.470 -0.024 0.000 0.225 940 S C 1.934 176.630 174.600 0.160 0.000 1.039 940 S CA 1.869 60.120 58.200 0.084 0.000 1.033 940 S CB -0.439 62.784 63.200 0.038 0.000 0.887 940 S HN 0.353 nan 8.310 nan 0.000 0.447 941 M N 2.005 121.691 119.600 0.143 0.000 2.080 941 M HA -0.099 4.366 4.480 -0.024 0.000 0.260 941 M C 2.497 179.008 176.300 0.351 0.000 1.068 941 M CA 1.764 57.188 55.300 0.207 0.000 1.109 941 M CB -1.517 31.192 32.600 0.182 0.000 1.342 941 M HN 0.491 nan 8.290 nan 0.000 0.405 942 S N -0.053 115.807 115.700 0.266 0.000 2.348 942 S HA -0.155 4.301 4.470 -0.024 0.000 0.221 942 S C 2.033 176.799 174.600 0.276 0.000 1.033 942 S CA 1.453 59.811 58.200 0.263 0.000 1.010 942 S CB -1.036 62.252 63.200 0.147 0.000 0.891 942 S HN 0.541 nan 8.310 nan 0.000 0.442 943 L N 0.723 122.095 121.223 0.249 0.000 2.187 943 L HA -0.120 4.206 4.340 -0.024 0.000 0.213 943 L C 2.795 179.827 176.870 0.269 0.000 1.100 943 L CA 1.905 56.915 54.840 0.283 0.000 0.765 943 L CB -0.854 41.421 42.059 0.360 0.000 0.904 943 L HN 0.527 nan 8.230 nan 0.000 0.437 944 H N -0.402 118.774 119.070 0.176 0.000 2.343 944 H HA -0.085 4.456 4.556 -0.024 0.000 0.303 944 H C 2.011 177.327 175.328 -0.021 0.000 1.068 944 H CA 1.400 57.472 56.048 0.041 0.000 1.359 944 H CB -0.044 29.717 29.762 -0.001 0.000 1.402 944 H HN 0.115 nan 8.280 nan 0.000 0.515 945 F N -0.168 119.928 119.950 0.243 0.000 2.333 945 F HA -0.078 4.434 4.527 -0.025 0.000 0.300 945 F C 2.195 178.108 175.800 0.189 0.000 1.083 945 F CA 0.629 58.783 58.000 0.257 0.000 1.395 945 F CB -0.297 38.854 39.000 0.253 0.000 1.056 945 F HN 0.239 nan 8.300 nan 0.000 0.529 946 L N -0.086 121.282 121.223 0.242 0.000 2.141 946 L HA -0.116 4.210 4.340 -0.024 0.000 0.209 946 L C 1.877 178.746 176.870 -0.002 0.000 1.094 946 L CA 1.707 56.627 54.840 0.134 0.000 0.763 946 L CB -0.447 41.676 42.059 0.107 0.000 0.908 946 L HN 0.118 nan 8.230 nan 0.000 0.437 947 I N -1.311 119.144 120.570 -0.191 0.000 3.226 947 I HA -0.124 4.032 4.170 -0.024 0.000 0.277 947 I C 1.263 177.173 176.117 -0.345 0.000 1.243 947 I CA 0.411 61.456 61.300 -0.424 0.000 1.459 947 I CB 0.052 37.488 38.000 -0.940 0.000 1.093 947 I HN 0.138 nan 8.210 nan 0.000 0.453 948 L N -0.886 120.167 121.223 -0.283 0.000 2.653 948 L HA 0.122 4.448 4.340 -0.024 0.000 0.231 948 L C 0.984 177.563 176.870 -0.486 0.000 1.153 948 L CA 0.425 55.038 54.840 -0.379 0.000 0.933 948 L CB -0.122 41.682 42.059 -0.425 0.000 1.175 948 L HN 0.263 nan 8.230 nan 0.000 0.473 949 Y N -2.138 118.157 120.300 -0.008 0.000 2.557 949 Y HA 0.134 4.668 4.550 -0.025 0.000 0.275 949 Y C 1.040 176.948 175.900 0.012 0.000 1.163 949 Y CA -0.449 57.668 58.100 0.030 0.000 1.086 949 Y CB 0.852 39.356 38.460 0.073 0.000 1.338 949 Y HN -0.291 nan 8.280 nan 0.000 0.534 950 V N 3.632 123.632 119.914 0.144 0.000 2.377 950 V HA -0.074 4.031 4.120 -0.024 0.000 0.254 950 V C 0.464 176.586 176.094 0.048 0.000 1.060 950 V CA 0.257 62.608 62.300 0.084 0.000 1.068 950 V CB -0.220 31.640 31.823 0.062 0.000 1.113 950 V HN 0.364 nan 8.190 nan 0.000 0.484 951 D N 5.659 126.088 120.400 0.049 0.000 3.111 951 D HA -0.226 4.399 4.640 -0.024 0.000 0.190 951 D C -0.220 176.090 176.300 0.016 0.000 1.141 951 D CA 2.379 56.397 54.000 0.029 0.000 0.888 951 D CB -1.013 39.805 40.800 0.030 0.000 0.905 951 D HN 0.508 nan 8.370 nan 0.000 0.497 952 P HA 0.010 nan 4.420 nan 0.000 0.220 952 P C 1.864 179.178 177.300 0.023 0.000 1.152 952 P CA 0.474 63.583 63.100 0.016 0.000 0.812 952 P CB 0.054 31.766 31.700 0.020 0.000 0.792 953 L N -0.271 120.974 121.223 0.037 0.000 1.976 953 L HA -0.105 4.221 4.340 -0.024 0.000 0.209 953 L C -0.332 176.602 176.870 0.107 0.000 1.071 953 L CA 2.256 57.148 54.840 0.086 0.000 0.746 953 L CB -2.285 39.774 42.059 0.000 0.000 0.890 953 L HN 0.015 nan 8.230 nan 0.000 0.432 954 P HA -0.230 nan 4.420 nan 0.000 0.217 954 P C 1.809 179.102 177.300 -0.012 0.000 1.148 954 P CA 1.625 64.701 63.100 -0.040 0.000 0.828 954 P CB -0.059 31.588 31.700 -0.088 0.000 0.783 955 M N -0.859 118.734 119.600 -0.012 0.000 2.319 955 M HA -0.061 4.404 4.480 -0.024 0.000 0.265 955 M C 1.640 177.911 176.300 -0.047 0.000 1.068 955 M CA 1.650 56.933 55.300 -0.029 0.000 1.118 955 M CB -0.284 32.301 32.600 -0.025 0.000 1.395 955 M HN -0.096 nan 8.290 nan 0.000 0.435 956 I N -3.882 116.653 120.570 -0.058 0.000 3.035 956 I HA -0.036 4.120 4.170 -0.024 0.000 0.271 956 I C 1.045 176.969 176.117 -0.322 0.000 1.190 956 I CA 0.700 61.888 61.300 -0.187 0.000 1.472 956 I CB -0.699 37.147 38.000 -0.256 0.000 1.116 956 I HN 0.029 nan 8.210 nan 0.000 0.443 957 F N 2.048 121.911 119.950 -0.145 0.000 2.765 957 F HA 0.277 4.788 4.527 -0.027 0.000 0.302 957 F C 0.684 176.401 175.800 -0.138 0.000 1.111 957 F CA -0.119 57.786 58.000 -0.158 0.000 1.359 957 F CB -0.104 38.751 39.000 -0.242 0.000 1.097 957 F HN -0.051 nan 8.300 nan 0.000 0.577 958 K N 1.229 121.633 120.400 0.006 0.000 3.257 958 K HA -0.196 4.110 4.320 -0.024 0.000 0.270 958 K C -0.654 175.903 176.600 -0.072 0.000 0.984 958 K CA 0.199 56.460 56.287 -0.043 0.000 0.739 958 K CB -1.882 30.587 32.500 -0.051 0.000 1.351 958 K HN 0.322 nan 8.250 nan 0.000 0.463 959 L N -0.167 121.005 121.223 -0.084 0.000 2.286 959 L HA 0.586 4.912 4.340 -0.024 0.000 0.265 959 L C -0.149 176.608 176.870 -0.188 0.000 1.012 959 L CA -1.024 53.718 54.840 -0.162 0.000 0.818 959 L CB 1.924 43.859 42.059 -0.207 0.000 1.337 959 L HN 0.062 nan 8.230 nan 0.000 0.438 960 K N 0.790 121.049 120.400 -0.235 0.000 2.588 960 K HA 0.570 4.876 4.320 -0.024 0.000 0.250 960 K C -0.954 175.491 176.600 -0.259 0.000 0.972 960 K CA -0.546 55.606 56.287 -0.225 0.000 0.821 960 K CB 1.861 34.243 32.500 -0.196 0.000 1.249 960 K HN 0.677 nan 8.250 nan 0.000 0.442 961 A N 4.404 127.028 122.820 -0.327 0.000 2.609 961 A HA 0.076 4.382 4.320 -0.024 0.000 0.232 961 A C -0.080 177.426 177.584 -0.129 0.000 1.041 961 A CA 0.377 52.184 52.037 -0.383 0.000 0.753 961 A CB -0.111 18.434 19.000 -0.758 0.000 0.966 961 A HN 0.681 nan 8.150 nan 0.000 0.510 962 L N 1.279 122.491 121.223 -0.018 0.000 2.399 962 L HA 0.348 4.673 4.340 -0.024 0.000 0.265 962 L C 0.519 177.528 176.870 0.232 0.000 1.089 962 L CA -0.824 53.999 54.840 -0.030 0.000 0.802 962 L CB 0.878 42.632 42.059 -0.509 0.000 1.180 962 L HN 0.870 nan 8.230 nan 0.000 0.454 963 D N 0.083 120.600 120.400 0.194 0.000 2.354 963 D HA 0.123 4.749 4.640 -0.024 0.000 0.247 963 D C 0.853 177.371 176.300 0.363 0.000 1.138 963 D CA -0.434 53.722 54.000 0.260 0.000 0.958 963 D CB 0.995 41.911 40.800 0.193 0.000 1.144 963 D HN 0.188 nan 8.370 nan 0.000 0.458 964 L N 1.659 123.071 121.223 0.315 0.000 2.362 964 L HA -0.058 4.267 4.340 -0.024 0.000 0.219 964 L C 1.999 179.024 176.870 0.258 0.000 1.134 964 L CA 1.272 56.295 54.840 0.305 0.000 0.807 964 L CB -1.635 40.536 42.059 0.186 0.000 0.927 964 L HN 0.531 nan 8.230 nan 0.000 0.447 965 T N -1.335 113.348 114.554 0.215 0.000 2.937 965 T HA -0.067 4.268 4.350 -0.024 0.000 0.260 965 T C 1.900 176.710 174.700 0.183 0.000 1.051 965 T CA 0.457 62.669 62.100 0.185 0.000 1.141 965 T CB 0.132 69.106 68.868 0.177 0.000 0.879 965 T HN 0.327 nan 8.240 nan 0.000 0.459 966 Q N 0.218 120.134 119.800 0.194 0.000 2.061 966 Q HA -0.152 4.174 4.340 -0.024 0.000 0.204 966 Q C 2.142 178.121 176.000 -0.035 0.000 0.984 966 Q CA 1.468 57.329 55.803 0.097 0.000 0.846 966 Q CB -0.486 28.281 28.738 0.049 0.000 0.902 966 Q HN 0.612 nan 8.270 nan 0.000 0.421 967 W N 1.048 122.394 121.300 0.076 0.000 2.333 967 W HA -0.208 4.436 4.660 -0.026 0.000 0.316 967 W C 2.234 178.759 176.519 0.010 0.000 1.215 967 W CA 0.532 57.913 57.345 0.060 0.000 1.278 967 W CB -0.572 28.965 29.460 0.129 0.000 1.154 967 W HN 0.162 nan 8.180 nan 0.000 0.486 968 L N 0.097 121.478 121.223 0.263 0.000 2.189 968 L HA -0.231 4.094 4.340 -0.024 0.000 0.214 968 L C 2.171 179.054 176.870 0.023 0.000 1.097 968 L CA 1.870 56.790 54.840 0.134 0.000 0.764 968 L CB -0.853 41.271 42.059 0.108 0.000 0.900 968 L HN 0.062 nan 8.230 nan 0.000 0.436 969 M N -2.083 117.472 119.600 -0.075 0.000 2.193 969 M HA -0.045 4.421 4.480 -0.024 0.000 0.265 969 M C 2.083 178.228 176.300 -0.259 0.000 1.071 969 M CA 1.499 56.622 55.300 -0.295 0.000 1.140 969 M CB -0.514 31.675 32.600 -0.684 0.000 1.369 969 M HN 0.019 nan 8.290 nan 0.000 0.423 970 V N 0.479 120.283 119.914 -0.184 0.000 2.252 970 V HA -0.319 3.787 4.120 -0.024 0.000 0.249 970 V C 2.446 178.536 176.094 -0.006 0.000 1.056 970 V CA 2.036 64.261 62.300 -0.125 0.000 1.022 970 V CB -0.742 30.998 31.823 -0.138 0.000 0.641 970 V HN 0.511 nan 8.190 nan 0.000 0.445 971 L N -0.569 120.710 121.223 0.093 0.000 1.994 971 L HA -0.112 4.213 4.340 -0.024 0.000 0.208 971 L C 1.859 178.756 176.870 0.046 0.000 1.071 971 L CA 1.262 56.163 54.840 0.101 0.000 0.745 971 L CB -0.599 41.539 42.059 0.132 0.000 0.892 971 L HN 0.217 nan 8.230 nan 0.000 0.431 972 K N 0.386 120.795 120.400 0.015 0.000 2.836 972 K HA 0.156 4.461 4.320 -0.024 0.000 0.236 972 K C 0.809 177.398 176.600 -0.018 0.000 1.015 972 K CA 0.545 56.833 56.287 0.003 0.000 1.194 972 K CB 0.176 32.672 32.500 -0.007 0.000 1.002 972 K HN 0.371 nan 8.250 nan 0.000 0.479 973 I N -1.885 118.677 120.570 -0.014 0.000 4.827 973 I HA -0.022 4.134 4.170 -0.024 0.000 0.362 973 I C 0.718 176.860 176.117 0.041 0.000 1.237 973 I CA 0.270 61.563 61.300 -0.012 0.000 1.366 973 I CB 0.811 38.736 38.000 -0.124 0.000 1.742 973 I HN -0.094 nan 8.210 nan 0.000 0.588 974 S N 0.441 116.175 115.700 0.056 0.000 2.566 974 S HA 0.200 4.655 4.470 -0.024 0.000 0.234 974 S C 1.615 176.309 174.600 0.158 0.000 1.075 974 S CA 0.025 58.283 58.200 0.096 0.000 0.926 974 S CB 0.266 63.493 63.200 0.045 0.000 0.811 974 S HN 0.179 nan 8.310 nan 0.000 0.518 975 L N 2.144 123.430 121.223 0.105 0.000 2.043 975 L HA -0.070 4.256 4.340 -0.024 0.000 0.212 975 L C -1.113 175.799 176.870 0.070 0.000 1.075 975 L CA 1.928 56.816 54.840 0.081 0.000 0.752 975 L CB -2.620 39.474 42.059 0.058 0.000 0.891 975 L HN 0.194 nan 8.230 nan 0.000 0.432 976 P HA -0.119 nan 4.420 nan 0.000 0.231 976 P C 1.916 179.119 177.300 -0.163 0.000 1.154 976 P CA 0.692 63.784 63.100 -0.013 0.000 0.762 976 P CB -0.035 31.687 31.700 0.038 0.000 0.790 977 V N -0.623 119.275 119.914 -0.027 0.000 2.323 977 V HA -0.195 3.911 4.120 -0.024 0.000 0.244 977 V C 2.018 178.076 176.094 -0.059 0.000 1.041 977 V CA 1.363 63.613 62.300 -0.083 0.000 1.025 977 V CB -0.768 31.161 31.823 0.177 0.000 0.656 977 V HN -0.019 nan 8.190 nan 0.000 0.451 978 I N 0.711 121.280 120.570 -0.001 0.000 2.185 978 I HA -0.241 3.914 4.170 -0.024 0.000 0.246 978 I C 2.481 178.586 176.117 -0.021 0.000 1.088 978 I CA 1.844 63.146 61.300 0.003 0.000 1.347 978 I CB -1.010 37.000 38.000 0.016 0.000 1.041 978 I HN 0.491 nan 8.210 nan 0.000 0.415 979 G N 1.256 110.029 108.800 -0.046 0.000 2.524 979 G HA2 -0.307 3.639 3.960 -0.024 0.000 0.215 979 G HA3 -0.307 3.639 3.960 -0.024 0.000 0.215 979 G C 1.555 176.409 174.900 -0.076 0.000 1.239 979 G CA 1.025 46.091 45.100 -0.057 0.000 0.798 979 G HN 0.371 nan 8.290 nan 0.000 0.557 980 L N 1.156 122.285 121.223 -0.157 0.000 2.030 980 L HA -0.243 4.082 4.340 -0.024 0.000 0.222 980 L C 2.088 178.912 176.870 -0.077 0.000 1.082 980 L CA 3.249 57.986 54.840 -0.172 0.000 0.785 980 L CB -1.117 40.730 42.059 -0.353 0.000 0.895 980 L HN 0.318 nan 8.230 nan 0.000 0.439 981 D N -0.887 119.477 120.400 -0.060 0.000 2.097 981 D HA -0.234 4.391 4.640 -0.024 0.000 0.195 981 D C 2.090 178.420 176.300 0.050 0.000 0.989 981 D CA 1.321 55.321 54.000 -0.002 0.000 0.827 981 D CB -0.185 40.621 40.800 0.010 0.000 0.966 981 D HN 0.536 nan 8.370 nan 0.000 0.456 982 E N -0.271 119.954 120.200 0.042 0.000 2.208 982 E HA -0.170 4.166 4.350 -0.024 0.000 0.202 982 E C 1.957 178.635 176.600 0.130 0.000 1.014 982 E CA 0.847 57.293 56.400 0.076 0.000 0.819 982 E CB -0.212 29.510 29.700 0.037 0.000 0.735 982 E HN 0.401 nan 8.360 nan 0.000 0.469 983 I N -0.207 120.424 120.570 0.102 0.000 2.286 983 I HA -0.176 3.980 4.170 -0.024 0.000 0.245 983 I C 2.251 178.501 176.117 0.221 0.000 1.104 983 I CA 0.772 62.160 61.300 0.148 0.000 1.397 983 I CB -1.234 36.818 38.000 0.086 0.000 1.072 983 I HN 0.152 nan 8.210 nan 0.000 0.417 984 L N 0.394 121.732 121.223 0.192 0.000 2.263 984 L HA -0.224 4.101 4.340 -0.024 0.000 0.216 984 L C 2.397 179.507 176.870 0.399 0.000 1.111 984 L CA 1.403 56.414 54.840 0.285 0.000 0.773 984 L CB -0.459 41.667 42.059 0.111 0.000 0.906 984 L HN 0.278 nan 8.230 nan 0.000 0.439 985 K N -1.279 119.292 120.400 0.285 0.000 2.214 985 K HA 0.012 4.317 4.320 -0.024 0.000 0.201 985 K C 1.587 178.320 176.600 0.222 0.000 1.049 985 K CA 0.470 56.909 56.287 0.252 0.000 0.978 985 K CB 0.055 32.669 32.500 0.190 0.000 0.842 985 K HN 0.010 nan 8.250 nan 0.000 0.474 986 F N 1.181 121.205 119.950 0.123 0.000 2.816 986 F HA 0.094 4.607 4.527 -0.024 0.000 0.302 986 F C 1.481 177.376 175.800 0.158 0.000 1.178 986 F CA 0.518 58.584 58.000 0.111 0.000 1.421 986 F CB 0.267 39.322 39.000 0.092 0.000 1.114 986 F HN -0.023 nan 8.300 nan 0.000 0.573 987 I N -1.703 119.033 120.570 0.275 0.000 4.323 987 I HA 0.172 4.327 4.170 -0.024 0.000 0.328 987 I C 1.842 177.992 176.117 0.055 0.000 1.310 987 I CA 0.601 62.043 61.300 0.236 0.000 1.186 987 I CB 0.168 38.336 38.000 0.280 0.000 1.130 987 I HN 0.031 nan 8.210 nan 0.000 0.411 988 A N 0.533 123.391 122.820 0.064 0.000 1.942 988 A HA 0.018 4.324 4.320 -0.024 0.000 0.209 988 A C 2.175 179.676 177.584 -0.138 0.000 1.214 988 A CA 0.349 52.289 52.037 -0.161 0.000 0.686 988 A CB -0.294 18.796 19.000 0.149 0.000 0.871 988 A HN 0.273 nan 8.150 nan 0.000 0.460 989 R N -0.524 119.928 120.500 -0.080 0.000 2.280 989 R HA -0.049 4.277 4.340 -0.024 0.000 0.207 989 R C 0.770 176.924 176.300 -0.243 0.000 1.043 989 R CA 1.333 57.342 56.100 -0.151 0.000 1.006 989 R CB -0.010 30.189 30.300 -0.168 0.000 0.885 989 R HN 0.570 nan 8.270 nan 0.000 0.467 990 N N -1.413 117.145 118.700 -0.238 0.000 2.871 990 N HA 0.020 4.746 4.740 -0.024 0.000 0.204 990 N C 0.448 175.791 175.510 -0.278 0.000 1.233 990 N CA 0.363 53.221 53.050 -0.320 0.000 1.124 990 N CB -0.667 37.607 38.487 -0.355 0.000 1.414 990 N HN -0.012 nan 8.380 nan 0.000 0.511 991 Y N 1.370 121.592 120.300 -0.131 0.000 2.688 991 Y HA 0.108 4.643 4.550 -0.024 0.000 0.311 991 Y C 1.486 177.280 175.900 -0.177 0.000 1.185 991 Y CA 0.237 58.267 58.100 -0.116 0.000 1.336 991 Y CB 0.154 38.573 38.460 -0.068 0.000 1.015 991 Y HN 0.185 nan 8.280 nan 0.000 0.522 992 L N -0.346 120.791 121.223 -0.144 0.000 3.058 992 L HA 0.300 4.625 4.340 -0.024 0.000 0.179 992 L C 0.123 176.855 176.870 -0.230 0.000 1.400 992 L CA 0.979 55.646 54.840 -0.289 0.000 1.241 992 L CB 0.216 41.930 42.059 -0.576 0.000 1.515 992 L HN -0.056 nan 8.230 nan 0.000 0.724 993 E N 0.072 120.131 120.200 -0.234 0.000 2.738 993 E HA 0.370 4.706 4.350 -0.024 0.000 0.347 993 E C -0.334 176.187 176.600 -0.132 0.000 1.077 993 E CA 0.441 56.744 56.400 -0.162 0.000 0.755 993 E CB 1.142 30.758 29.700 -0.141 0.000 1.576 993 E HN 0.660 nan 8.360 nan 0.000 0.379 994 G N 0.000 108.723 108.800 -0.129 0.000 5.446 994 G HA2 0.000 3.946 3.960 -0.024 0.000 0.244 994 G HA3 0.000 3.946 3.960 -0.024 0.000 0.244 994 G CA 0.000 45.010 45.100 -0.150 0.000 0.502 994 G HN 0.000 nan 8.290 nan 0.000 0.925