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 2ohy_1_B DATA FIRST_RESID 11 DATA SEQUENCE VPVSVDGETL TVEAVRRVAE ERATVDVPAE SIAKAQKSRE IFEGIAEQNI DATA SEQUENCE PIYGVTTGYG EMIYMQVDKS KEVELQTNLV RSHSAGVGPL FAEDEARAIV DATA SEQUENCE AARLNTLAKG HSAVRPIILE RLAQYLNEGI TPAIPEIGSL GXXXDLAPLS DATA SEQUENCE HVASTLIGEG YVLRDGRPVE TAQVLAERGI EPLELRFKEG LALINGTSGM DATA SEQUENCE TGLGSLVVGR ALEQAQQAEI VTALLIEAVR GSTSPFLAEG HDIARPHEGQ DATA SEQUENCE IDTAANMRAL MRGSGLTVEH ADLRRELQKD KEAGKDVQRS EIYLQKAYSL DATA SEQUENCE RAIPQVVGAV RDTLYHARHK LRIELNSAND NPLFFEGKEI FHGANFHGQP DATA SEQUENCE IAFAMDFVTI ALTQLGVLAE RQINRVLNRH LSYGLPEFLV SGDPGLHSGF DATA SEQUENCE AGAQYPATAL VAENRTIGPA STQSVPSNGD NQDVVSMGLI SARNARRVLS DATA SEQUENCE NNNKILAVEY LAAAQAVDIS GRFDGLSPAA KATYEAVRRL VPTLGVDRYM DATA SEQUENCE ADDIELVADA LSRGEFLRAI ARETDIQLR 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 11 V HA 0.000 nan 4.120 nan 0.000 0.244 11 V C 0.000 176.094 176.094 -0.000 0.000 1.182 11 V CA 0.000 62.300 62.300 0.001 0.000 1.235 11 V CB 0.000 31.823 31.823 0.001 0.000 1.184 12 P HA 0.753 nan 4.420 nan 0.000 0.302 12 P C -0.731 176.567 177.300 -0.002 0.000 1.364 12 P CA -0.607 62.492 63.100 -0.001 0.000 1.045 12 P CB 2.559 34.259 31.700 -0.001 0.000 1.368 13 V N 0.925 120.837 119.914 -0.003 0.000 2.811 13 V HA 0.221 4.321 4.120 -0.034 0.000 0.302 13 V C 0.858 176.947 176.094 -0.007 0.000 1.063 13 V CA 0.057 62.354 62.300 -0.004 0.000 1.088 13 V CB 1.181 33.001 31.823 -0.004 0.000 0.982 13 V HN 0.802 nan 8.190 nan 0.000 0.485 14 S N 3.649 119.343 115.700 -0.009 0.000 2.461 14 S HA 0.380 4.829 4.470 -0.034 0.000 0.322 14 S C -0.454 174.137 174.600 -0.016 0.000 1.063 14 S CA -0.776 57.417 58.200 -0.012 0.000 1.120 14 S CB 0.829 64.022 63.200 -0.012 0.000 0.968 14 S HN 0.866 nan 8.310 nan 0.000 0.467 15 V N 3.224 123.127 119.914 -0.019 0.000 2.267 15 V HA 0.458 4.558 4.120 -0.034 0.000 0.254 15 V C 0.268 176.344 176.094 -0.031 0.000 1.144 15 V CA -0.535 61.751 62.300 -0.024 0.000 0.992 15 V CB -0.033 31.776 31.823 -0.024 0.000 1.199 15 V HN 0.831 nan 8.190 nan 0.000 0.493 16 D N 2.593 122.973 120.400 -0.032 0.000 2.363 16 D HA 0.228 4.847 4.640 -0.034 0.000 0.214 16 D C 1.506 177.776 176.300 -0.051 0.000 1.093 16 D CA 0.248 54.225 54.000 -0.039 0.000 0.837 16 D CB 0.210 40.991 40.800 -0.032 0.000 0.948 16 D HN 1.068 nan 8.370 nan 0.000 0.507 17 G N 0.272 109.043 108.800 -0.048 0.000 2.203 17 G HA2 -0.315 3.624 3.960 -0.034 0.000 0.263 17 G HA3 -0.315 3.624 3.960 -0.034 0.000 0.263 17 G C 0.733 175.603 174.900 -0.049 0.000 1.012 17 G CA 0.708 45.775 45.100 -0.055 0.000 0.749 17 G HN 0.393 nan 8.290 nan 0.000 0.512 18 E N -2.107 118.070 120.200 -0.038 0.000 2.583 18 E HA 0.054 4.384 4.350 -0.034 0.000 0.204 18 E C 1.932 178.519 176.600 -0.021 0.000 0.860 18 E CA 1.324 57.706 56.400 -0.029 0.000 1.473 18 E CB 0.072 29.755 29.700 -0.028 0.000 1.469 18 E HN 0.781 nan 8.360 nan 0.000 0.788 19 T N -0.958 113.584 114.554 -0.020 0.000 3.170 19 T HA 0.281 4.611 4.350 -0.034 0.000 0.288 19 T C 0.491 175.182 174.700 -0.014 0.000 0.992 19 T CA -0.391 61.700 62.100 -0.015 0.000 0.909 19 T CB 0.008 68.869 68.868 -0.012 0.000 1.133 19 T HN -0.110 nan 8.240 nan 0.000 0.530 20 L N 4.477 125.689 121.223 -0.018 0.000 2.490 20 L HA 0.473 4.793 4.340 -0.034 0.000 0.274 20 L C 0.409 177.271 176.870 -0.014 0.000 1.201 20 L CA 0.691 55.522 54.840 -0.016 0.000 0.869 20 L CB 0.567 42.614 42.059 -0.020 0.000 1.123 20 L HN 0.519 nan 8.230 nan 0.000 0.484 21 T N 1.113 115.662 114.554 -0.009 0.000 2.950 21 T HA 0.432 4.762 4.350 -0.034 0.000 0.288 21 T C 1.160 175.859 174.700 -0.001 0.000 1.035 21 T CA -0.496 61.602 62.100 -0.004 0.000 1.028 21 T CB 1.240 70.109 68.868 0.002 0.000 1.109 21 T HN 0.289 nan 8.240 nan 0.000 0.514 22 V N 0.948 120.865 119.914 0.005 0.000 2.287 22 V HA -0.148 3.952 4.120 -0.034 0.000 0.248 22 V C 2.820 178.921 176.094 0.011 0.000 1.053 22 V CA 2.471 64.777 62.300 0.009 0.000 1.027 22 V CB -0.928 30.909 31.823 0.022 0.000 0.646 22 V HN 1.090 nan 8.190 nan 0.000 0.447 23 E N 0.210 120.419 120.200 0.014 0.000 2.077 23 E HA -0.235 4.095 4.350 -0.034 0.000 0.193 23 E C 2.200 178.805 176.600 0.008 0.000 0.989 23 E CA 1.419 57.828 56.400 0.014 0.000 0.800 23 E CB -0.249 29.460 29.700 0.016 0.000 0.746 23 E HN 0.567 nan 8.360 nan 0.000 0.452 24 A N 0.483 123.305 122.820 0.004 0.000 1.933 24 A HA -0.119 4.181 4.320 -0.034 0.000 0.218 24 A C 2.387 179.970 177.584 -0.002 0.000 1.175 24 A CA 1.342 53.379 52.037 0.000 0.000 0.628 24 A CB -0.556 18.442 19.000 -0.003 0.000 0.814 24 A HN 0.239 nan 8.150 nan 0.000 0.444 25 V N -0.070 119.842 119.914 -0.003 0.000 2.358 25 V HA -0.247 3.853 4.120 -0.034 0.000 0.246 25 V C 2.625 178.716 176.094 -0.005 0.000 1.047 25 V CA 2.161 64.456 62.300 -0.008 0.000 1.035 25 V CB -0.757 31.059 31.823 -0.012 0.000 0.658 25 V HN 0.526 nan 8.190 nan 0.000 0.452 26 R N -0.453 120.047 120.500 0.001 0.000 2.096 26 R HA -0.113 4.206 4.340 -0.034 0.000 0.235 26 R C 2.539 178.841 176.300 0.004 0.000 1.127 26 R CA 1.320 57.422 56.100 0.004 0.000 0.968 26 R CB -0.293 30.014 30.300 0.011 0.000 0.861 26 R HN 0.446 nan 8.270 nan 0.000 0.440 27 R N 0.033 120.536 120.500 0.004 0.000 2.081 27 R HA -0.092 4.227 4.340 -0.034 0.000 0.235 27 R C 2.283 178.585 176.300 0.002 0.000 1.131 27 R CA 1.315 57.417 56.100 0.004 0.000 0.960 27 R CB -0.298 30.004 30.300 0.003 0.000 0.856 27 R HN 0.040 nan 8.270 nan 0.000 0.436 28 V N 0.743 120.657 119.914 0.001 0.000 2.295 28 V HA -0.262 3.837 4.120 -0.034 0.000 0.246 28 V C 2.322 178.417 176.094 0.002 0.000 1.049 28 V CA 2.060 64.360 62.300 0.001 0.000 1.024 28 V CB -0.706 31.116 31.823 -0.001 0.000 0.648 28 V HN 0.440 nan 8.190 nan 0.000 0.447 29 A N -0.287 122.532 122.820 -0.001 0.000 1.832 29 A HA -0.189 4.110 4.320 -0.034 0.000 0.214 29 A C 2.194 179.779 177.584 0.003 0.000 1.204 29 A CA 1.779 53.815 52.037 -0.002 0.000 0.606 29 A CB -0.530 18.465 19.000 -0.009 0.000 0.849 29 A HN 0.571 nan 8.150 nan 0.000 0.445 30 E N -0.393 119.810 120.200 0.004 0.000 2.028 30 E HA -0.125 4.205 4.350 -0.034 0.000 0.190 30 E C 1.565 178.169 176.600 0.005 0.000 0.984 30 E CA 1.276 57.680 56.400 0.007 0.000 0.800 30 E CB -0.094 29.612 29.700 0.009 0.000 0.758 30 E HN 0.683 nan 8.360 nan 0.000 0.448 31 E N 0.208 120.411 120.200 0.004 0.000 2.437 31 E HA 0.077 4.406 4.350 -0.034 0.000 0.189 31 E C -0.415 176.187 176.600 0.003 0.000 1.054 31 E CA -0.186 56.216 56.400 0.003 0.000 0.874 31 E CB 0.379 30.081 29.700 0.003 0.000 1.011 31 E HN 0.040 nan 8.360 nan 0.000 0.474 32 R N -0.640 119.863 120.500 0.004 0.000 3.516 32 R HA -0.189 4.130 4.340 -0.034 0.000 0.271 32 R C -0.380 175.924 176.300 0.005 0.000 1.098 32 R CA 0.776 56.879 56.100 0.005 0.000 0.732 32 R CB -2.798 27.505 30.300 0.005 0.000 1.152 32 R HN 0.236 nan 8.270 nan 0.000 0.455 33 A N 0.525 123.347 122.820 0.004 0.000 2.462 33 A HA 0.312 4.612 4.320 -0.034 0.000 0.243 33 A C 0.671 178.258 177.584 0.005 0.000 1.076 33 A CA 0.273 52.312 52.037 0.004 0.000 0.773 33 A CB 0.367 19.368 19.000 0.002 0.000 1.010 33 A HN 0.229 nan 8.150 nan 0.000 0.493 34 T N 1.670 116.226 114.554 0.004 0.000 2.916 34 T HA 0.304 4.633 4.350 -0.034 0.000 0.303 34 T C 0.168 174.870 174.700 0.003 0.000 1.025 34 T CA 0.164 62.267 62.100 0.005 0.000 1.142 34 T CB 0.580 69.450 68.868 0.004 0.000 0.947 34 T HN 0.546 nan 8.240 nan 0.000 0.544 35 V N 2.668 122.584 119.914 0.004 0.000 2.612 35 V HA 0.558 4.657 4.120 -0.034 0.000 0.301 35 V C -0.521 175.572 176.094 -0.003 0.000 1.046 35 V CA -0.535 61.765 62.300 -0.000 0.000 0.946 35 V CB 2.094 33.917 31.823 0.000 0.000 1.003 35 V HN 1.047 nan 8.190 nan 0.000 0.459 36 D N 3.053 123.448 120.400 -0.007 0.000 2.890 36 D HA 0.399 5.018 4.640 -0.034 0.000 0.233 36 D C -1.274 175.018 176.300 -0.014 0.000 1.306 36 D CA -0.380 53.615 54.000 -0.009 0.000 0.929 36 D CB 1.976 42.772 40.800 -0.007 0.000 1.512 36 D HN 0.343 nan 8.370 nan 0.000 0.568 37 V N 5.836 125.739 119.914 -0.018 0.000 2.368 37 V HA 0.394 4.494 4.120 -0.034 0.000 0.266 37 V C -1.587 174.495 176.094 -0.021 0.000 1.045 37 V CA -1.218 61.068 62.300 -0.023 0.000 0.899 37 V CB 0.566 32.372 31.823 -0.028 0.000 1.006 37 V HN 0.559 nan 8.190 nan 0.000 0.470 38 P HA 0.037 nan 4.420 nan 0.000 0.266 38 P C 0.787 178.076 177.300 -0.018 0.000 1.193 38 P CA 0.141 63.231 63.100 -0.018 0.000 0.770 38 P CB 1.115 32.804 31.700 -0.019 0.000 0.836 39 A N 3.334 126.146 122.820 -0.014 0.000 1.908 39 A HA -0.224 4.076 4.320 -0.034 0.000 0.218 39 A C 2.075 179.651 177.584 -0.013 0.000 1.181 39 A CA 1.688 53.718 52.037 -0.012 0.000 0.627 39 A CB -1.128 17.867 19.000 -0.008 0.000 0.818 39 A HN 0.670 nan 8.150 nan 0.000 0.445 40 E N -0.326 119.866 120.200 -0.013 0.000 2.204 40 E HA -0.098 4.231 4.350 -0.034 0.000 0.195 40 E C 2.166 178.753 176.600 -0.022 0.000 0.990 40 E CA 1.094 57.486 56.400 -0.014 0.000 0.821 40 E CB -0.088 29.604 29.700 -0.013 0.000 0.750 40 E HN 0.606 nan 8.360 nan 0.000 0.477 41 S N 0.558 116.241 115.700 -0.028 0.000 2.377 41 S HA -0.051 4.398 4.470 -0.034 0.000 0.223 41 S C 1.888 176.466 174.600 -0.037 0.000 1.030 41 S CA 0.409 58.584 58.200 -0.041 0.000 0.970 41 S CB 0.079 63.252 63.200 -0.044 0.000 0.830 41 S HN 0.183 nan 8.310 nan 0.000 0.473 42 I N 2.151 122.704 120.570 -0.028 0.000 2.394 42 I HA -0.104 4.045 4.170 -0.034 0.000 0.251 42 I C 2.595 178.702 176.117 -0.016 0.000 1.136 42 I CA 0.952 62.238 61.300 -0.024 0.000 1.425 42 I CB -1.705 36.283 38.000 -0.019 0.000 1.079 42 I HN 0.201 nan 8.210 nan 0.000 0.425 43 A N 0.788 123.601 122.820 -0.012 0.000 1.873 43 A HA -0.240 4.059 4.320 -0.034 0.000 0.215 43 A C 2.460 180.045 177.584 0.002 0.000 1.186 43 A CA 1.775 53.810 52.037 -0.002 0.000 0.616 43 A CB -0.567 18.433 19.000 -0.000 0.000 0.823 43 A HN 0.329 nan 8.150 nan 0.000 0.442 44 K N -0.391 120.005 120.400 -0.008 0.000 2.063 44 K HA -0.128 4.171 4.320 -0.034 0.000 0.208 44 K C 2.161 178.762 176.600 0.001 0.000 1.048 44 K CA 1.242 57.527 56.287 -0.004 0.000 0.928 44 K CB -0.314 32.163 32.500 -0.039 0.000 0.713 44 K HN 0.406 nan 8.250 nan 0.000 0.442 45 A N 0.864 123.674 122.820 -0.018 0.000 1.845 45 A HA -0.252 4.048 4.320 -0.034 0.000 0.215 45 A C 2.102 179.684 177.584 -0.003 0.000 1.195 45 A CA 1.840 53.865 52.037 -0.020 0.000 0.616 45 A CB -0.883 18.097 19.000 -0.033 0.000 0.832 45 A HN 0.437 nan 8.150 nan 0.000 0.443 46 Q N 0.337 120.137 119.800 0.000 0.000 2.062 46 Q HA -0.253 4.067 4.340 -0.034 0.000 0.209 46 Q C 2.043 178.054 176.000 0.019 0.000 0.996 46 Q CA 2.756 58.563 55.803 0.007 0.000 0.859 46 Q CB -0.406 28.336 28.738 0.006 0.000 0.920 46 Q HN 0.675 nan 8.270 nan 0.000 0.415 47 K N -0.940 119.478 120.400 0.032 0.000 2.097 47 K HA -0.096 4.203 4.320 -0.034 0.000 0.206 47 K C 2.123 178.765 176.600 0.069 0.000 1.049 47 K CA 1.498 57.816 56.287 0.052 0.000 0.933 47 K CB -0.192 32.347 32.500 0.066 0.000 0.717 47 K HN 0.206 nan 8.250 nan 0.000 0.442 48 S N 0.565 116.310 115.700 0.076 0.000 2.368 48 S HA -0.118 4.332 4.470 -0.034 0.000 0.224 48 S C 1.815 176.367 174.600 -0.080 0.000 1.029 48 S CA 1.202 59.444 58.200 0.070 0.000 0.988 48 S CB -0.260 63.009 63.200 0.115 0.000 0.838 48 S HN 0.297 nan 8.310 nan 0.000 0.462 49 R N 1.869 122.357 120.500 -0.021 0.000 2.073 49 R HA -0.054 4.266 4.340 -0.034 0.000 0.234 49 R C 2.099 178.412 176.300 0.021 0.000 1.134 49 R CA 2.063 58.172 56.100 0.015 0.000 0.952 49 R CB -0.777 29.539 30.300 0.027 0.000 0.850 49 R HN 0.523 nan 8.270 nan 0.000 0.433 50 E N -0.274 119.931 120.200 0.008 0.000 2.085 50 E HA -0.176 4.153 4.350 -0.034 0.000 0.194 50 E C 1.887 178.472 176.600 -0.025 0.000 0.994 50 E CA 1.893 58.295 56.400 0.003 0.000 0.801 50 E CB -0.157 29.552 29.700 0.015 0.000 0.743 50 E HN 0.461 nan 8.360 nan 0.000 0.453 51 I N 0.035 120.582 120.570 -0.039 0.000 2.202 51 I HA -0.192 3.957 4.170 -0.034 0.000 0.242 51 I C 2.261 178.268 176.117 -0.183 0.000 1.091 51 I CA 0.818 62.084 61.300 -0.057 0.000 1.368 51 I CB -0.398 37.636 38.000 0.057 0.000 1.058 51 I HN 0.187 nan 8.210 nan 0.000 0.410 52 F N 2.112 121.740 119.950 -0.536 0.000 2.126 52 F HA -0.228 4.278 4.527 -0.034 0.000 0.299 52 F C 2.404 178.024 175.800 -0.301 0.000 1.096 52 F CA 1.761 59.433 58.000 -0.546 0.000 1.255 52 F CB -0.336 38.300 39.000 -0.606 0.000 0.997 52 F HN 0.041 nan 8.300 nan 0.000 0.479 53 E N -0.316 119.750 120.200 -0.223 0.000 2.118 53 E HA -0.172 4.157 4.350 -0.034 0.000 0.195 53 E C 2.429 178.868 176.600 -0.267 0.000 0.992 53 E CA 0.953 57.218 56.400 -0.226 0.000 0.804 53 E CB -0.680 29.019 29.700 -0.002 0.000 0.741 53 E HN 0.567 nan 8.360 nan 0.000 0.458 54 G N 0.843 109.526 108.800 -0.195 0.000 2.471 54 G HA2 -0.200 3.739 3.960 -0.034 0.000 0.219 54 G HA3 -0.200 3.739 3.960 -0.034 0.000 0.219 54 G C 1.506 176.287 174.900 -0.199 0.000 1.125 54 G CA 0.186 45.198 45.100 -0.146 0.000 0.775 54 G HN 0.255 nan 8.290 nan 0.000 0.548 55 I N -0.073 120.309 120.570 -0.313 0.000 2.731 55 I HA 0.219 4.368 4.170 -0.034 0.000 0.260 55 I C 2.807 178.655 176.117 -0.447 0.000 1.138 55 I CA 0.943 62.063 61.300 -0.300 0.000 1.461 55 I CB 0.143 38.005 38.000 -0.231 0.000 1.128 55 I HN 0.167 nan 8.210 nan 0.000 0.438 56 A N 0.245 122.592 122.820 -0.788 0.000 1.930 56 A HA -0.221 4.079 4.320 -0.034 0.000 0.217 56 A C 2.036 179.245 177.584 -0.626 0.000 1.175 56 A CA 1.588 53.021 52.037 -1.005 0.000 0.627 56 A CB -0.556 17.272 19.000 -1.953 0.000 0.815 56 A HN 0.455 nan 8.150 nan 0.000 0.443 57 E N 0.352 120.308 120.200 -0.407 0.000 2.331 57 E HA -0.144 4.186 4.350 -0.034 0.000 0.199 57 E C 1.503 178.041 176.600 -0.103 0.000 1.008 57 E CA 0.952 57.272 56.400 -0.133 0.000 0.843 57 E CB -0.227 29.430 29.700 -0.071 0.000 0.761 57 E HN 0.710 nan 8.360 nan 0.000 0.507 58 Q N -0.022 119.688 119.800 -0.149 0.000 2.212 58 Q HA 0.106 4.425 4.340 -0.034 0.000 0.213 58 Q C -0.189 175.759 176.000 -0.086 0.000 0.874 58 Q CA -0.232 55.514 55.803 -0.095 0.000 0.965 58 Q CB 0.226 28.912 28.738 -0.087 0.000 1.074 58 Q HN 0.160 nan 8.270 nan 0.000 0.473 59 N N 1.051 119.694 118.700 -0.096 0.000 2.701 59 N HA -0.197 4.522 4.740 -0.034 0.000 0.250 59 N C -0.542 174.927 175.510 -0.068 0.000 1.046 59 N CA 0.759 53.769 53.050 -0.067 0.000 0.733 59 N CB -0.536 37.936 38.487 -0.024 0.000 0.973 59 N HN 0.342 nan 8.380 nan 0.000 0.541 60 I N 1.293 121.804 120.570 -0.099 0.000 2.581 60 I HA 0.149 4.298 4.170 -0.034 0.000 0.288 60 I C -1.541 174.546 176.117 -0.051 0.000 1.047 60 I CA -1.908 59.352 61.300 -0.066 0.000 1.374 60 I CB 0.522 38.482 38.000 -0.067 0.000 1.423 60 I HN -0.062 nan 8.210 nan 0.000 0.549 61 P HA 0.257 nan 4.420 nan 0.000 0.270 61 P C -0.795 176.535 177.300 0.050 0.000 1.242 61 P CA 0.284 63.386 63.100 0.003 0.000 0.768 61 P CB 0.370 32.069 31.700 -0.000 0.000 0.820 62 I N 4.198 124.823 120.570 0.092 0.000 2.512 62 I HA 0.157 4.307 4.170 -0.034 0.000 0.287 62 I C -0.018 176.244 176.117 0.241 0.000 1.069 62 I CA -1.334 60.111 61.300 0.242 0.000 1.056 62 I CB 1.802 39.916 38.000 0.189 0.000 1.229 62 I HN 0.236 nan 8.210 nan 0.000 0.429 63 Y N 6.221 126.728 120.300 0.345 0.000 2.881 63 Y HA 0.142 4.671 4.550 -0.035 0.000 0.335 63 Y C 1.384 177.307 175.900 0.038 0.000 1.263 63 Y CA 1.318 59.507 58.100 0.148 0.000 1.572 63 Y CB 0.295 38.857 38.460 0.170 0.000 1.237 63 Y HN 0.854 nan 8.280 nan 0.000 0.568 64 G N 3.441 111.635 108.800 -1.009 0.000 2.203 64 G HA2 -0.255 3.685 3.960 -0.034 0.000 0.263 64 G HA3 -0.255 3.685 3.960 -0.034 0.000 0.263 64 G C 0.285 175.013 174.900 -0.287 0.000 1.012 64 G CA 0.535 45.076 45.100 -0.932 0.000 0.749 64 G HN 0.857 nan 8.290 nan 0.000 0.512 65 V N -1.216 118.605 119.914 -0.155 0.000 3.165 65 V HA 0.232 4.331 4.120 -0.034 0.000 0.231 65 V C 1.730 177.850 176.094 0.043 0.000 1.365 65 V CA 1.926 64.267 62.300 0.067 0.000 1.286 65 V CB 0.839 32.750 31.823 0.147 0.000 1.081 65 V HN 0.878 nan 8.190 nan 0.000 0.477 66 T N -1.284 113.243 114.554 -0.045 0.000 3.337 66 T HA 0.363 4.692 4.350 -0.034 0.000 0.299 66 T C 0.199 174.848 174.700 -0.086 0.000 0.998 66 T CA 0.479 62.558 62.100 -0.036 0.000 0.948 66 T CB 0.250 69.102 68.868 -0.028 0.000 1.170 66 T HN 0.540 nan 8.240 nan 0.000 0.508 67 T N -1.908 112.531 114.554 -0.192 0.000 2.843 67 T HA 0.744 5.073 4.350 -0.034 0.000 0.302 67 T C 0.453 174.888 174.700 -0.441 0.000 1.232 67 T CA -0.303 61.664 62.100 -0.223 0.000 1.009 67 T CB 1.403 70.195 68.868 -0.126 0.000 1.254 67 T HN 0.288 nan 8.240 nan 0.000 0.504 68 G N -0.220 108.366 108.800 -0.357 0.000 2.653 68 G HA2 0.497 4.437 3.960 -0.034 0.000 0.265 68 G HA3 0.497 4.437 3.960 -0.034 0.000 0.265 68 G C -1.118 173.468 174.900 -0.523 0.000 1.237 68 G CA -0.625 44.228 45.100 -0.413 0.000 0.946 68 G HN 0.682 nan 8.290 nan 0.000 0.522 69 Y N -0.592 119.656 120.300 -0.086 0.000 2.403 69 Y HA 0.478 5.008 4.550 -0.033 0.000 0.323 69 Y C 1.409 177.376 175.900 0.112 0.000 1.226 69 Y CA 0.439 58.538 58.100 -0.001 0.000 1.235 69 Y CB 1.404 39.817 38.460 -0.078 0.000 1.248 69 Y HN 1.083 nan 8.280 nan 0.000 0.489 70 G N 1.290 110.340 108.800 0.417 0.000 2.660 70 G HA2 -0.488 3.451 3.960 -0.034 0.000 0.321 70 G HA3 -0.488 3.451 3.960 -0.034 0.000 0.321 70 G C 1.206 176.192 174.900 0.143 0.000 1.246 70 G CA 1.128 46.359 45.100 0.218 0.000 1.000 70 G HN 0.697 nan 8.290 nan 0.000 0.550 71 E N 0.622 120.888 120.200 0.110 0.000 2.118 71 E HA 0.030 4.359 4.350 -0.034 0.000 0.195 71 E C 2.564 179.171 176.600 0.011 0.000 0.992 71 E CA 1.843 58.316 56.400 0.121 0.000 0.804 71 E CB -0.313 29.478 29.700 0.152 0.000 0.741 71 E HN 0.539 nan 8.360 nan 0.000 0.458 72 M N 0.519 120.017 119.600 -0.171 0.000 2.726 72 M HA 0.100 4.559 4.480 -0.034 0.000 0.211 72 M C 1.579 177.554 176.300 -0.543 0.000 1.190 72 M CA 0.157 55.054 55.300 -0.671 0.000 1.000 72 M CB -0.102 32.273 32.600 -0.375 0.000 1.790 72 M HN 0.171 nan 8.290 nan 0.000 0.467 73 I N 0.328 120.765 120.570 -0.221 0.000 2.614 73 I HA -0.266 3.884 4.170 -0.034 0.000 0.258 73 I C 1.997 178.084 176.117 -0.050 0.000 1.189 73 I CA 1.251 62.536 61.300 -0.025 0.000 1.462 73 I CB 0.049 38.155 38.000 0.175 0.000 1.092 73 I HN 0.454 nan 8.210 nan 0.000 0.442 74 Y N -0.703 119.630 120.300 0.055 0.000 2.639 74 Y HA 0.132 4.661 4.550 -0.034 0.000 0.297 74 Y C 0.866 176.778 175.900 0.020 0.000 1.151 74 Y CA -0.271 57.849 58.100 0.034 0.000 1.335 74 Y CB -0.681 37.797 38.460 0.030 0.000 0.994 74 Y HN -0.028 nan 8.280 nan 0.000 0.548 75 M N 2.802 122.290 119.600 -0.185 0.000 2.108 75 M HA 0.216 4.676 4.480 -0.034 0.000 0.354 75 M C -0.732 175.531 176.300 -0.060 0.000 1.229 75 M CA -0.474 54.779 55.300 -0.079 0.000 1.081 75 M CB 1.208 33.690 32.600 -0.196 0.000 1.606 75 M HN 0.231 nan 8.290 nan 0.000 0.467 76 Q N 2.993 122.790 119.800 -0.006 0.000 2.274 76 Q HA 0.560 4.879 4.340 -0.034 0.000 0.256 76 Q C -0.660 175.326 176.000 -0.024 0.000 0.927 76 Q CA -0.411 55.383 55.803 -0.016 0.000 0.939 76 Q CB 1.689 30.432 28.738 0.009 0.000 1.201 76 Q HN 0.455 nan 8.270 nan 0.000 0.426 77 V N 1.952 121.843 119.914 -0.039 0.000 2.459 77 V HA 0.186 4.285 4.120 -0.034 0.000 0.295 77 V C -0.073 176.021 176.094 -0.000 0.000 1.029 77 V CA -0.968 61.317 62.300 -0.026 0.000 0.874 77 V CB 1.988 33.783 31.823 -0.047 0.000 0.985 77 V HN 0.704 nan 8.190 nan 0.000 0.438 78 D N 2.857 123.263 120.400 0.010 0.000 2.372 78 D HA 0.136 4.755 4.640 -0.034 0.000 0.243 78 D C 1.427 177.760 176.300 0.054 0.000 1.121 78 D CA -0.241 53.773 54.000 0.024 0.000 0.898 78 D CB 1.039 41.849 40.800 0.016 0.000 1.202 78 D HN 0.685 nan 8.370 nan 0.000 0.428 79 K N 0.954 121.408 120.400 0.091 0.000 2.360 79 K HA -0.169 4.131 4.320 -0.034 0.000 0.201 79 K C 1.362 178.014 176.600 0.086 0.000 1.046 79 K CA 1.372 57.777 56.287 0.196 0.000 0.940 79 K CB -0.259 32.400 32.500 0.265 0.000 0.748 79 K HN 0.334 nan 8.250 nan 0.000 0.465 80 S N 0.481 116.202 115.700 0.035 0.000 2.507 80 S HA 0.010 4.459 4.470 -0.034 0.000 0.235 80 S C 1.084 175.665 174.600 -0.031 0.000 0.988 80 S CA 0.295 58.491 58.200 -0.007 0.000 0.944 80 S CB 0.068 63.266 63.200 -0.003 0.000 0.762 80 S HN 0.192 nan 8.310 nan 0.000 0.526 81 K N 1.420 121.809 120.400 -0.019 0.000 2.576 81 K HA 0.315 4.615 4.320 -0.034 0.000 0.209 81 K C 1.201 177.770 176.600 -0.052 0.000 1.049 81 K CA -0.085 56.184 56.287 -0.031 0.000 1.140 81 K CB 0.098 32.592 32.500 -0.009 0.000 0.871 81 K HN 0.639 nan 8.250 nan 0.000 0.479 82 E N 0.823 120.947 120.200 -0.127 0.000 2.035 82 E HA -0.199 4.130 4.350 -0.034 0.000 0.204 82 E C 1.294 177.777 176.600 -0.196 0.000 1.025 82 E CA 1.907 58.143 56.400 -0.273 0.000 0.835 82 E CB 0.258 29.505 29.700 -0.756 0.000 0.764 82 E HN -0.004 nan 8.360 nan 0.000 0.457 83 V N 0.957 120.758 119.914 -0.187 0.000 2.548 83 V HA -0.163 3.936 4.120 -0.034 0.000 0.249 83 V C 2.399 178.456 176.094 -0.062 0.000 1.055 83 V CA 1.913 64.141 62.300 -0.121 0.000 1.065 83 V CB -0.553 31.201 31.823 -0.116 0.000 0.681 83 V HN 0.326 nan 8.190 nan 0.000 0.462 84 E N 0.109 120.279 120.200 -0.049 0.000 2.072 84 E HA -0.234 4.096 4.350 -0.034 0.000 0.191 84 E C 2.192 178.797 176.600 0.007 0.000 0.985 84 E CA 1.237 57.624 56.400 -0.021 0.000 0.801 84 E CB -0.073 29.617 29.700 -0.017 0.000 0.750 84 E HN 0.424 nan 8.360 nan 0.000 0.452 85 L N 1.476 122.710 121.223 0.018 0.000 1.971 85 L HA -0.280 4.039 4.340 -0.034 0.000 0.215 85 L C 2.307 179.253 176.870 0.126 0.000 1.072 85 L CA 1.928 56.812 54.840 0.074 0.000 0.758 85 L CB -0.605 41.487 42.059 0.055 0.000 0.889 85 L HN 0.148 nan 8.230 nan 0.000 0.433 86 Q N -1.071 118.778 119.800 0.083 0.000 2.124 86 Q HA -0.151 4.168 4.340 -0.034 0.000 0.202 86 Q C 2.100 178.094 176.000 -0.011 0.000 0.977 86 Q CA 2.103 57.938 55.803 0.053 0.000 0.850 86 Q CB -0.808 27.947 28.738 0.028 0.000 0.901 86 Q HN 0.596 nan 8.270 nan 0.000 0.429 87 T N 1.739 116.286 114.554 -0.011 0.000 2.857 87 T HA -0.047 4.283 4.350 -0.034 0.000 0.266 87 T C 1.553 176.241 174.700 -0.019 0.000 1.048 87 T CA 1.038 63.123 62.100 -0.025 0.000 1.139 87 T CB -0.097 68.755 68.868 -0.027 0.000 0.874 87 T HN 0.238 nan 8.240 nan 0.000 0.455 88 N N 1.432 120.134 118.700 0.005 0.000 2.188 88 N HA -0.012 4.707 4.740 -0.034 0.000 0.184 88 N C 1.772 177.292 175.510 0.015 0.000 1.018 88 N CA 0.507 53.568 53.050 0.019 0.000 0.858 88 N CB -0.659 37.855 38.487 0.046 0.000 0.989 88 N HN 0.220 nan 8.380 nan 0.000 0.426 89 L N 1.222 122.423 121.223 -0.036 0.000 1.971 89 L HA -0.164 4.156 4.340 -0.034 0.000 0.215 89 L C 1.996 178.790 176.870 -0.127 0.000 1.072 89 L CA 1.586 56.299 54.840 -0.212 0.000 0.758 89 L CB -0.822 40.902 42.059 -0.559 0.000 0.889 89 L HN -0.066 nan 8.230 nan 0.000 0.433 90 V N -0.130 119.712 119.914 -0.119 0.000 2.295 90 V HA -0.288 3.811 4.120 -0.034 0.000 0.246 90 V C 2.696 178.769 176.094 -0.035 0.000 1.049 90 V CA 2.206 64.460 62.300 -0.077 0.000 1.024 90 V CB -0.829 30.949 31.823 -0.076 0.000 0.648 90 V HN 0.449 nan 8.190 nan 0.000 0.447 91 R N 1.092 121.572 120.500 -0.033 0.000 2.088 91 R HA -0.175 4.145 4.340 -0.034 0.000 0.232 91 R C 2.684 178.973 176.300 -0.019 0.000 1.136 91 R CA 2.071 58.148 56.100 -0.038 0.000 0.926 91 R CB -0.815 29.468 30.300 -0.029 0.000 0.837 91 R HN 0.679 nan 8.270 nan 0.000 0.429 92 S N -0.020 115.692 115.700 0.020 0.000 2.440 92 S HA -0.167 4.283 4.470 -0.034 0.000 0.238 92 S C 1.316 175.855 174.600 -0.102 0.000 1.010 92 S CA 1.411 59.605 58.200 -0.009 0.000 0.972 92 S CB -0.310 62.907 63.200 0.028 0.000 0.774 92 S HN 0.422 nan 8.310 nan 0.000 0.501 93 H N 0.636 119.663 119.070 -0.072 0.000 2.551 93 H HA 0.431 4.966 4.556 -0.035 0.000 0.271 93 H C 0.215 175.530 175.328 -0.021 0.000 0.984 93 H CA 0.118 56.133 56.048 -0.055 0.000 1.164 93 H CB 0.283 29.988 29.762 -0.095 0.000 1.437 93 H HN 0.295 nan 8.280 nan 0.000 0.550 94 S N 1.065 116.760 115.700 -0.008 0.000 3.919 94 S HA 0.387 4.836 4.470 -0.034 0.000 0.245 94 S C 0.770 175.410 174.600 0.066 0.000 1.344 94 S CA 0.088 58.200 58.200 -0.148 0.000 0.896 94 S CB -0.052 62.876 63.200 -0.452 0.000 1.557 94 S HN 0.481 nan 8.310 nan 0.000 0.468 95 A N 1.794 124.752 122.820 0.230 0.000 2.616 95 A HA 0.587 4.886 4.320 -0.034 0.000 0.294 95 A C 0.965 178.647 177.584 0.164 0.000 1.091 95 A CA -0.416 51.725 52.037 0.174 0.000 0.971 95 A CB -0.007 19.010 19.000 0.029 0.000 1.222 95 A HN 0.642 nan 8.150 nan 0.000 0.521 96 G N -0.045 108.891 108.800 0.225 0.000 2.614 96 G HA2 0.480 4.419 3.960 -0.034 0.000 0.239 96 G HA3 0.480 4.419 3.960 -0.034 0.000 0.239 96 G C 0.197 175.029 174.900 -0.113 0.000 1.240 96 G CA 0.646 45.692 45.100 -0.091 0.000 0.842 96 G HN 1.333 nan 8.290 nan 0.000 0.584 97 V N -0.917 118.928 119.914 -0.114 0.000 3.156 97 V HA 1.018 5.118 4.120 -0.034 0.000 0.310 97 V C 0.793 176.810 176.094 -0.128 0.000 1.234 97 V CA 0.374 62.614 62.300 -0.099 0.000 1.065 97 V CB 1.105 32.894 31.823 -0.057 0.000 1.088 97 V HN 2.611 nan 8.190 nan 0.000 0.451 98 G N 1.015 109.747 108.800 -0.113 0.000 2.632 98 G HA2 -0.047 3.892 3.960 -0.034 0.000 0.224 98 G HA3 -0.047 3.892 3.960 -0.034 0.000 0.224 98 G C -2.691 172.114 174.900 -0.157 0.000 1.341 98 G CA -0.181 44.842 45.100 -0.128 0.000 0.880 98 G HN 1.090 nan 8.290 nan 0.000 0.566 99 P HA 0.485 nan 4.420 nan 0.000 0.270 99 P C 0.091 177.244 177.300 -0.244 0.000 1.223 99 P CA -0.317 62.670 63.100 -0.188 0.000 0.785 99 P CB 0.321 31.906 31.700 -0.191 0.000 0.923 100 L N 1.387 122.503 121.223 -0.177 0.000 2.307 100 L HA 0.395 4.714 4.340 -0.034 0.000 0.282 100 L C 0.410 177.222 176.870 -0.098 0.000 1.051 100 L CA -0.768 53.995 54.840 -0.128 0.000 0.804 100 L CB 0.308 42.334 42.059 -0.054 0.000 1.197 100 L HN 0.287 nan 8.230 nan 0.000 0.431 101 F N 1.296 121.228 119.950 -0.030 0.000 2.496 101 F HA 0.230 4.755 4.527 -0.003 0.000 0.344 101 F C 1.152 176.946 175.800 -0.010 0.000 1.155 101 F CA -0.018 57.972 58.000 -0.016 0.000 1.302 101 F CB 0.716 39.710 39.000 -0.010 0.000 1.159 101 F HN 0.562 nan 8.300 nan 0.000 0.595 102 A N 2.412 125.364 122.820 0.220 0.000 2.346 102 A HA 0.082 4.381 4.320 -0.034 0.000 0.255 102 A C 1.421 179.064 177.584 0.098 0.000 1.113 102 A CA -0.269 51.837 52.037 0.116 0.000 0.798 102 A CB 0.154 19.208 19.000 0.089 0.000 1.073 102 A HN 0.914 nan 8.150 nan 0.000 0.502 103 E N 0.097 120.332 120.200 0.058 0.000 2.038 103 E HA -0.242 4.088 4.350 -0.034 0.000 0.195 103 E C 1.484 178.100 176.600 0.028 0.000 1.000 103 E CA 1.654 58.078 56.400 0.039 0.000 0.803 103 E CB -0.219 29.495 29.700 0.025 0.000 0.750 103 E HN 0.867 nan 8.360 nan 0.000 0.448 104 D N 0.771 121.186 120.400 0.026 0.000 2.149 104 D HA -0.219 4.400 4.640 -0.034 0.000 0.198 104 D C 1.497 177.794 176.300 -0.005 0.000 0.990 104 D CA 1.267 55.274 54.000 0.012 0.000 0.839 104 D CB -0.521 40.289 40.800 0.017 0.000 0.948 104 D HN 0.293 nan 8.370 nan 0.000 0.460 105 E N 0.657 120.860 120.200 0.005 0.000 2.046 105 E HA -0.016 4.313 4.350 -0.034 0.000 0.190 105 E C 2.331 178.836 176.600 -0.158 0.000 0.982 105 E CA 1.063 57.423 56.400 -0.067 0.000 0.800 105 E CB -0.173 29.537 29.700 0.016 0.000 0.756 105 E HN 0.396 nan 8.360 nan 0.000 0.449 106 A N 1.469 124.247 122.820 -0.071 0.000 1.972 106 A HA -0.183 4.116 4.320 -0.034 0.000 0.219 106 A C 2.044 179.598 177.584 -0.050 0.000 1.169 106 A CA 1.216 53.212 52.037 -0.068 0.000 0.635 106 A CB -0.351 18.668 19.000 0.032 0.000 0.810 106 A HN 0.067 nan 8.150 nan 0.000 0.446 107 R N -0.599 119.884 120.500 -0.027 0.000 2.092 107 R HA -0.010 4.309 4.340 -0.034 0.000 0.231 107 R C 2.464 178.745 176.300 -0.031 0.000 1.119 107 R CA 1.059 57.151 56.100 -0.012 0.000 0.970 107 R CB -0.409 29.891 30.300 -0.000 0.000 0.864 107 R HN 0.503 nan 8.270 nan 0.000 0.440 108 A N 1.233 124.020 122.820 -0.055 0.000 1.902 108 A HA -0.138 4.162 4.320 -0.034 0.000 0.217 108 A C 2.120 179.658 177.584 -0.076 0.000 1.181 108 A CA 1.191 53.192 52.037 -0.061 0.000 0.623 108 A CB -0.434 18.522 19.000 -0.072 0.000 0.818 108 A HN 0.175 nan 8.150 nan 0.000 0.443 109 I N -0.559 119.942 120.570 -0.115 0.000 2.252 109 I HA -0.197 3.952 4.170 -0.034 0.000 0.245 109 I C 2.317 178.398 176.117 -0.060 0.000 1.102 109 I CA 1.043 62.273 61.300 -0.116 0.000 1.385 109 I CB -0.229 37.659 38.000 -0.187 0.000 1.064 109 I HN 0.156 nan 8.210 nan 0.000 0.414 110 V N 0.933 120.826 119.914 -0.036 0.000 2.358 110 V HA -0.254 3.845 4.120 -0.034 0.000 0.246 110 V C 2.723 178.809 176.094 -0.013 0.000 1.047 110 V CA 1.855 64.151 62.300 -0.007 0.000 1.035 110 V CB -0.991 30.849 31.823 0.028 0.000 0.658 110 V HN 0.475 nan 8.190 nan 0.000 0.452 111 A N 0.247 123.057 122.820 -0.016 0.000 1.908 111 A HA -0.201 4.098 4.320 -0.034 0.000 0.218 111 A C 2.425 179.995 177.584 -0.024 0.000 1.181 111 A CA 2.360 54.387 52.037 -0.017 0.000 0.627 111 A CB -0.863 18.127 19.000 -0.017 0.000 0.818 111 A HN 0.589 nan 8.150 nan 0.000 0.445 112 A N -0.727 122.074 122.820 -0.031 0.000 1.933 112 A HA -0.121 4.178 4.320 -0.034 0.000 0.218 112 A C 2.179 179.747 177.584 -0.027 0.000 1.175 112 A CA 2.071 54.090 52.037 -0.031 0.000 0.628 112 A CB -0.402 18.575 19.000 -0.038 0.000 0.814 112 A HN 0.469 nan 8.150 nan 0.000 0.444 113 R N -0.500 119.985 120.500 -0.026 0.000 2.061 113 R HA -0.080 4.240 4.340 -0.034 0.000 0.230 113 R C 1.980 178.263 176.300 -0.028 0.000 1.140 113 R CA 1.627 57.714 56.100 -0.022 0.000 0.940 113 R CB -0.973 29.316 30.300 -0.019 0.000 0.839 113 R HN 0.416 nan 8.270 nan 0.000 0.429 114 L N 1.430 122.635 121.223 -0.030 0.000 2.021 114 L HA -0.255 4.064 4.340 -0.034 0.000 0.215 114 L C 1.843 178.690 176.870 -0.038 0.000 1.074 114 L CA 2.220 57.038 54.840 -0.037 0.000 0.760 114 L CB -1.122 40.918 42.059 -0.033 0.000 0.889 114 L HN 0.436 nan 8.230 nan 0.000 0.433 115 N N -1.649 117.031 118.700 -0.034 0.000 2.166 115 N HA -0.191 4.528 4.740 -0.034 0.000 0.186 115 N C 1.535 177.020 175.510 -0.042 0.000 1.019 115 N CA 1.862 54.890 53.050 -0.037 0.000 0.856 115 N CB 0.059 38.527 38.487 -0.031 0.000 0.993 115 N HN 0.521 nan 8.380 nan 0.000 0.426 116 T N 2.091 116.624 114.554 -0.035 0.000 2.622 116 T HA -0.112 4.218 4.350 -0.034 0.000 0.266 116 T C 2.086 176.759 174.700 -0.046 0.000 1.047 116 T CA 1.107 63.188 62.100 -0.032 0.000 1.159 116 T CB -0.353 68.505 68.868 -0.016 0.000 0.863 116 T HN 0.187 nan 8.240 nan 0.000 0.422 117 L N 0.972 122.167 121.223 -0.046 0.000 2.046 117 L HA -0.055 4.265 4.340 -0.034 0.000 0.208 117 L C 3.035 179.859 176.870 -0.076 0.000 1.077 117 L CA 1.205 56.010 54.840 -0.059 0.000 0.747 117 L CB -0.795 41.231 42.059 -0.054 0.000 0.896 117 L HN 0.238 nan 8.230 nan 0.000 0.432 118 A N -0.043 122.736 122.820 -0.069 0.000 2.186 118 A HA -0.233 4.066 4.320 -0.034 0.000 0.219 118 A C 2.360 179.882 177.584 -0.102 0.000 1.159 118 A CA 1.576 53.568 52.037 -0.074 0.000 0.680 118 A CB -0.520 18.445 19.000 -0.058 0.000 0.787 118 A HN 0.368 nan 8.150 nan 0.000 0.467 119 K N -1.183 119.144 120.400 -0.122 0.000 2.283 119 K HA 0.003 4.303 4.320 -0.034 0.000 0.202 119 K C 1.258 177.666 176.600 -0.320 0.000 1.048 119 K CA 1.102 57.278 56.287 -0.186 0.000 0.948 119 K CB -0.280 32.124 32.500 -0.161 0.000 0.742 119 K HN 0.719 nan 8.250 nan 0.000 0.458 120 G N -0.034 108.609 108.800 -0.262 0.000 2.176 120 G HA2 -0.238 3.701 3.960 -0.034 0.000 0.232 120 G HA3 -0.238 3.701 3.960 -0.034 0.000 0.232 120 G C 0.117 174.862 174.900 -0.258 0.000 0.986 120 G CA 0.405 45.345 45.100 -0.267 0.000 0.643 120 G HN 0.603 nan 8.290 nan 0.000 0.522 121 H N 0.278 119.253 119.070 -0.157 0.000 2.524 121 H HA 0.484 5.019 4.556 -0.035 0.000 0.299 121 H C 1.543 176.753 175.328 -0.197 0.000 1.074 121 H CA 0.451 56.337 56.048 -0.271 0.000 1.115 121 H CB 0.698 30.172 29.762 -0.480 0.000 1.522 121 H HN 0.307 nan 8.280 nan 0.000 0.543 122 S N 0.175 115.841 115.700 -0.057 0.000 2.578 122 S HA 0.273 4.723 4.470 -0.034 0.000 0.228 122 S C 1.264 175.740 174.600 -0.207 0.000 1.022 122 S CA 0.318 58.457 58.200 -0.102 0.000 0.967 122 S CB 0.946 64.102 63.200 -0.074 0.000 0.914 122 S HN 0.559 nan 8.310 nan 0.000 0.515 123 A N 1.125 123.822 122.820 -0.205 0.000 2.791 123 A HA -0.129 4.170 4.320 -0.034 0.000 0.292 123 A C 0.201 177.660 177.584 -0.208 0.000 1.487 123 A CA 0.344 52.184 52.037 -0.328 0.000 0.760 123 A CB -2.281 16.162 19.000 -0.928 0.000 1.031 123 A HN 0.324 nan 8.150 nan 0.000 0.503 124 V N 0.574 120.420 119.914 -0.114 0.000 2.617 124 V HA 0.402 4.501 4.120 -0.034 0.000 0.298 124 V C 1.231 177.305 176.094 -0.034 0.000 1.048 124 V CA -0.678 61.585 62.300 -0.062 0.000 0.964 124 V CB 1.598 33.384 31.823 -0.062 0.000 1.004 124 V HN 0.646 nan 8.190 nan 0.000 0.466 125 R N 4.065 124.557 120.500 -0.013 0.000 2.594 125 R HA 0.157 4.477 4.340 -0.034 0.000 0.272 125 R C -1.682 174.603 176.300 -0.025 0.000 1.074 125 R CA -1.215 54.881 56.100 -0.008 0.000 1.105 125 R CB 0.318 30.618 30.300 -0.001 0.000 1.008 125 R HN 0.456 nan 8.270 nan 0.000 0.472 126 P HA -0.197 nan 4.420 nan 0.000 0.218 126 P C 1.077 178.354 177.300 -0.038 0.000 1.146 126 P CA 0.923 64.005 63.100 -0.030 0.000 0.813 126 P CB 0.088 31.775 31.700 -0.022 0.000 0.778 127 I N -0.874 119.674 120.570 -0.036 0.000 2.248 127 I HA -0.241 3.909 4.170 -0.034 0.000 0.248 127 I C 1.907 177.982 176.117 -0.069 0.000 1.107 127 I CA 1.574 62.846 61.300 -0.047 0.000 1.373 127 I CB -0.569 37.406 38.000 -0.041 0.000 1.055 127 I HN -0.125 nan 8.210 nan 0.000 0.418 128 I N -0.459 120.070 120.570 -0.067 0.000 2.202 128 I HA -0.299 3.851 4.170 -0.034 0.000 0.242 128 I C 2.367 178.426 176.117 -0.095 0.000 1.091 128 I CA 1.281 62.528 61.300 -0.088 0.000 1.368 128 I CB -0.403 37.555 38.000 -0.070 0.000 1.058 128 I HN 0.204 nan 8.210 nan 0.000 0.410 129 L N 0.335 121.514 121.223 -0.073 0.000 2.012 129 L HA -0.239 4.081 4.340 -0.034 0.000 0.210 129 L C 2.492 179.318 176.870 -0.073 0.000 1.073 129 L CA 1.635 56.434 54.840 -0.068 0.000 0.748 129 L CB -0.804 41.223 42.059 -0.054 0.000 0.891 129 L HN 0.278 nan 8.230 nan 0.000 0.431 130 E N -0.140 120.019 120.200 -0.068 0.000 2.058 130 E HA -0.272 4.057 4.350 -0.034 0.000 0.194 130 E C 2.267 178.811 176.600 -0.093 0.000 0.997 130 E CA 1.244 57.606 56.400 -0.064 0.000 0.801 130 E CB -0.090 29.579 29.700 -0.051 0.000 0.746 130 E HN 0.203 nan 8.360 nan 0.000 0.450 131 R N 1.192 121.606 120.500 -0.143 0.000 2.073 131 R HA -0.104 4.215 4.340 -0.034 0.000 0.234 131 R C 2.127 178.210 176.300 -0.361 0.000 1.134 131 R CA 1.268 57.214 56.100 -0.257 0.000 0.952 131 R CB -0.661 29.454 30.300 -0.308 0.000 0.850 131 R HN 0.157 nan 8.270 nan 0.000 0.433 132 L N -0.213 120.849 121.223 -0.268 0.000 1.989 132 L HA -0.163 4.157 4.340 -0.034 0.000 0.211 132 L C 2.471 179.297 176.870 -0.073 0.000 1.071 132 L CA 1.646 56.370 54.840 -0.194 0.000 0.749 132 L CB -0.762 41.231 42.059 -0.110 0.000 0.890 132 L HN 0.353 nan 8.230 nan 0.000 0.431 133 A N -0.974 121.813 122.820 -0.055 0.000 2.024 133 A HA -0.271 4.028 4.320 -0.034 0.000 0.220 133 A C 2.246 179.843 177.584 0.021 0.000 1.164 133 A CA 1.712 53.743 52.037 -0.011 0.000 0.643 133 A CB -0.514 18.475 19.000 -0.019 0.000 0.806 133 A HN 0.523 nan 8.150 nan 0.000 0.451 134 Q N -1.913 117.894 119.800 0.012 0.000 2.123 134 Q HA -0.163 4.156 4.340 -0.034 0.000 0.199 134 Q C 1.663 177.787 176.000 0.208 0.000 0.966 134 Q CA 1.243 57.091 55.803 0.075 0.000 0.845 134 Q CB -0.157 28.611 28.738 0.050 0.000 0.907 134 Q HN 0.741 nan 8.270 nan 0.000 0.439 135 Y N 0.446 120.743 120.300 -0.005 0.000 2.200 135 Y HA -0.169 4.360 4.550 -0.035 0.000 0.290 135 Y C 2.043 177.942 175.900 -0.002 0.000 1.137 135 Y CA 0.690 58.789 58.100 -0.002 0.000 1.163 135 Y CB -0.526 37.933 38.460 -0.001 0.000 0.988 135 Y HN 0.124 nan 8.280 nan 0.000 0.518 136 L N -0.267 121.057 121.223 0.167 0.000 1.988 136 L HA -0.258 4.061 4.340 -0.034 0.000 0.207 136 L C 1.865 178.769 176.870 0.057 0.000 1.071 136 L CA 1.755 56.645 54.840 0.084 0.000 0.744 136 L CB -0.664 41.427 42.059 0.054 0.000 0.893 136 L HN 0.201 nan 8.230 nan 0.000 0.433 137 N N -0.678 118.054 118.700 0.054 0.000 2.364 137 N HA -0.172 4.548 4.740 -0.034 0.000 0.183 137 N C 1.029 176.561 175.510 0.036 0.000 1.022 137 N CA 0.741 53.813 53.050 0.037 0.000 0.883 137 N CB 0.125 38.630 38.487 0.030 0.000 0.965 137 N HN 0.379 nan 8.380 nan 0.000 0.438 138 E N -0.627 119.603 120.200 0.050 0.000 2.501 138 E HA 0.145 4.474 4.350 -0.034 0.000 0.201 138 E C 0.382 176.988 176.600 0.010 0.000 1.016 138 E CA -0.256 56.164 56.400 0.033 0.000 0.920 138 E CB 0.821 30.550 29.700 0.048 0.000 1.023 138 E HN 0.327 nan 8.360 nan 0.000 0.474 139 G N 2.115 110.920 108.800 0.009 0.000 2.198 139 G HA2 -0.274 3.666 3.960 -0.034 0.000 0.257 139 G HA3 -0.274 3.666 3.960 -0.034 0.000 0.257 139 G C 0.124 174.993 174.900 -0.052 0.000 1.042 139 G CA -0.088 45.004 45.100 -0.012 0.000 0.791 139 G HN 0.272 nan 8.290 nan 0.000 0.502 140 I N 1.992 122.508 120.570 -0.091 0.000 2.287 140 I HA 0.240 4.390 4.170 -0.034 0.000 0.290 140 I C 0.249 176.259 176.117 -0.178 0.000 1.069 140 I CA -0.170 60.981 61.300 -0.247 0.000 1.237 140 I CB 0.973 38.597 38.000 -0.626 0.000 1.418 140 I HN 0.017 nan 8.210 nan 0.000 0.481 141 T N 7.389 121.883 114.554 -0.100 0.000 2.749 141 T HA 0.325 4.654 4.350 -0.034 0.000 0.287 141 T C -2.395 172.301 174.700 -0.007 0.000 0.970 141 T CA -1.443 60.640 62.100 -0.028 0.000 0.980 141 T CB 1.290 70.159 68.868 0.000 0.000 0.924 141 T HN 0.215 nan 8.240 nan 0.000 0.456 142 P HA 0.268 nan 4.420 nan 0.000 0.269 142 P C -0.882 176.480 177.300 0.104 0.000 1.209 142 P CA -0.452 62.697 63.100 0.081 0.000 0.776 142 P CB 0.421 32.193 31.700 0.120 0.000 0.876 143 A N 4.238 127.141 122.820 0.138 0.000 2.798 143 A HA 0.319 4.618 4.320 -0.034 0.000 0.316 143 A C 0.127 177.798 177.584 0.145 0.000 1.506 143 A CA -0.432 51.683 52.037 0.131 0.000 1.162 143 A CB -1.116 17.969 19.000 0.142 0.000 1.138 143 A HN 0.461 nan 8.150 nan 0.000 0.532 144 I N 3.616 124.279 120.570 0.155 0.000 2.301 144 I HA 0.210 4.359 4.170 -0.034 0.000 0.292 144 I C -2.309 173.875 176.117 0.113 0.000 1.046 144 I CA -1.975 59.432 61.300 0.179 0.000 1.282 144 I CB 1.392 39.560 38.000 0.281 0.000 1.409 144 I HN 0.327 nan 8.210 nan 0.000 0.484 145 P HA 0.100 nan 4.420 nan 0.000 0.271 145 P C 0.277 177.454 177.300 -0.204 0.000 1.216 145 P CA -0.153 62.808 63.100 -0.232 0.000 0.771 145 P CB 0.762 32.235 31.700 -0.379 0.000 0.864 146 E N 1.698 121.626 120.200 -0.453 0.000 2.150 146 E HA -0.078 4.251 4.350 -0.034 0.000 0.193 146 E C 0.416 176.897 176.600 -0.198 0.000 0.985 146 E CA 0.849 56.871 56.400 -0.631 0.000 0.814 146 E CB -0.005 29.195 29.700 -0.834 0.000 0.752 146 E HN 0.457 nan 8.360 nan 0.000 0.466 147 I N -0.636 119.841 120.570 -0.155 0.000 2.412 147 I HA 0.296 4.446 4.170 -0.034 0.000 0.296 147 I C 0.882 176.971 176.117 -0.045 0.000 0.987 147 I CA -0.035 61.219 61.300 -0.077 0.000 1.180 147 I CB 1.948 39.899 38.000 -0.082 0.000 1.340 147 I HN 0.107 nan 8.210 nan 0.000 0.455 148 G N 3.403 112.196 108.800 -0.011 0.000 3.685 148 G HA2 -0.156 3.783 3.960 -0.034 0.000 0.215 148 G HA3 -0.156 3.783 3.960 -0.034 0.000 0.215 148 G C 0.169 175.079 174.900 0.017 0.000 0.987 148 G CA 0.098 45.200 45.100 0.003 0.000 0.884 148 G HN 0.647 nan 8.290 nan 0.000 0.406 149 S N 0.786 116.503 115.700 0.028 0.000 2.576 149 S HA 0.599 5.048 4.470 -0.034 0.000 0.276 149 S C 1.019 175.621 174.600 0.003 0.000 1.339 149 S CA -0.223 57.990 58.200 0.021 0.000 1.039 149 S CB 1.373 64.593 63.200 0.033 0.000 0.902 149 S HN 0.396 nan 8.310 nan 0.000 0.516 150 L N 2.460 123.674 121.223 -0.016 0.000 2.640 150 L HA 0.344 4.664 4.340 -0.034 0.000 0.230 150 L C 1.497 178.328 176.870 -0.064 0.000 1.123 150 L CA 0.163 54.983 54.840 -0.032 0.000 0.900 150 L CB -1.080 40.956 42.059 -0.037 0.000 1.146 150 L HN 1.184 nan 8.230 nan 0.000 0.484 156 L N 0.616 121.847 121.223 0.014 0.000 1.955 156 L HA -0.170 4.150 4.340 -0.034 0.000 0.213 156 L C 2.736 179.657 176.870 0.085 0.000 1.072 156 L CA 2.168 57.026 54.840 0.031 0.000 0.755 156 L CB -0.412 41.678 42.059 0.051 0.000 0.888 156 L HN 0.242 nan 8.230 nan 0.000 0.432 157 A N 0.330 123.214 122.820 0.106 0.000 1.859 157 A HA -0.183 4.117 4.320 -0.034 0.000 0.217 157 A C 0.079 177.791 177.584 0.214 0.000 1.198 157 A CA 2.328 54.461 52.037 0.161 0.000 0.629 157 A CB -2.069 16.997 19.000 0.110 0.000 0.830 157 A HN 0.293 nan 8.150 nan 0.000 0.446 158 P HA -0.163 nan 4.420 nan 0.000 0.214 158 P C 1.468 178.860 177.300 0.154 0.000 1.163 158 P CA 1.157 64.346 63.100 0.149 0.000 0.889 158 P CB -0.206 31.579 31.700 0.141 0.000 0.790 159 L N -1.392 119.891 121.223 0.100 0.000 2.141 159 L HA -0.121 4.198 4.340 -0.034 0.000 0.209 159 L C 2.396 179.311 176.870 0.075 0.000 1.094 159 L CA 1.320 56.201 54.840 0.068 0.000 0.763 159 L CB -1.021 41.055 42.059 0.029 0.000 0.908 159 L HN 0.001 nan 8.230 nan 0.000 0.437 160 S N -1.118 114.637 115.700 0.092 0.000 2.368 160 S HA -0.196 4.254 4.470 -0.034 0.000 0.225 160 S C 1.865 176.492 174.600 0.045 0.000 1.030 160 S CA 1.133 59.364 58.200 0.052 0.000 0.999 160 S CB -0.279 62.962 63.200 0.069 0.000 0.844 160 S HN 0.478 nan 8.310 nan 0.000 0.459 161 H N 0.254 119.359 119.070 0.060 0.000 2.421 161 H HA 0.020 4.560 4.556 -0.027 0.000 0.298 161 H C 1.989 177.365 175.328 0.079 0.000 1.087 161 H CA 1.343 57.438 56.048 0.079 0.000 1.330 161 H CB -0.202 29.619 29.762 0.097 0.000 1.388 161 H HN 0.141 nan 8.280 nan 0.000 0.526 162 V N 0.198 120.217 119.914 0.175 0.000 2.283 162 V HA -0.222 3.878 4.120 -0.034 0.000 0.243 162 V C 2.555 178.706 176.094 0.095 0.000 1.039 162 V CA 1.576 63.954 62.300 0.130 0.000 1.016 162 V CB -0.993 30.888 31.823 0.097 0.000 0.650 162 V HN 0.569 nan 8.190 nan 0.000 0.449 163 A N -0.543 122.308 122.820 0.051 0.000 2.032 163 A HA -0.238 4.061 4.320 -0.034 0.000 0.221 163 A C 2.465 180.056 177.584 0.010 0.000 1.165 163 A CA 2.250 54.295 52.037 0.014 0.000 0.645 163 A CB -0.658 18.332 19.000 -0.016 0.000 0.807 163 A HN 0.502 nan 8.150 nan 0.000 0.453 164 S N -0.475 115.228 115.700 0.005 0.000 2.356 164 S HA -0.160 4.289 4.470 -0.034 0.000 0.223 164 S C 2.285 176.896 174.600 0.018 0.000 1.032 164 S CA 1.999 60.187 58.200 -0.019 0.000 1.005 164 S CB -0.638 62.522 63.200 -0.067 0.000 0.867 164 S HN 0.929 nan 8.310 nan 0.000 0.449 165 T N 0.753 115.352 114.554 0.075 0.000 2.929 165 T HA 0.035 4.365 4.350 -0.034 0.000 0.271 165 T C 1.616 176.461 174.700 0.242 0.000 1.085 165 T CA 0.817 62.998 62.100 0.134 0.000 1.125 165 T CB -0.554 68.414 68.868 0.166 0.000 0.874 165 T HN 0.263 nan 8.240 nan 0.000 0.494 166 L N 0.783 122.101 121.223 0.158 0.000 2.275 166 L HA 0.236 4.555 4.340 -0.034 0.000 0.215 166 L C 2.177 179.061 176.870 0.023 0.000 1.119 166 L CA 1.005 55.869 54.840 0.041 0.000 0.790 166 L CB -0.356 41.668 42.059 -0.058 0.000 0.919 166 L HN 0.515 nan 8.230 nan 0.000 0.443 167 I N -4.233 116.350 120.570 0.022 0.000 3.927 167 I HA 0.464 4.614 4.170 -0.034 0.000 0.332 167 I C 1.055 177.173 176.117 0.001 0.000 1.485 167 I CA 0.194 61.493 61.300 -0.002 0.000 1.131 167 I CB -0.022 37.964 38.000 -0.023 0.000 1.092 167 I HN 0.121 nan 8.210 nan 0.000 0.410 168 G N 1.185 110.000 108.800 0.026 0.000 2.147 168 G HA2 -0.253 3.686 3.960 -0.034 0.000 0.244 168 G HA3 -0.253 3.686 3.960 -0.034 0.000 0.244 168 G C -0.139 174.733 174.900 -0.047 0.000 1.005 168 G CA 0.451 45.550 45.100 -0.000 0.000 0.713 168 G HN 0.648 nan 8.290 nan 0.000 0.515 169 E N -1.355 118.811 120.200 -0.056 0.000 2.396 169 E HA 0.655 4.985 4.350 -0.034 0.000 0.251 169 E C 1.162 177.672 176.600 -0.150 0.000 0.949 169 E CA -0.306 56.027 56.400 -0.112 0.000 0.834 169 E CB 1.221 30.865 29.700 -0.093 0.000 1.309 169 E HN 1.293 nan 8.360 nan 0.000 0.405 170 G N -0.480 108.182 108.800 -0.230 0.000 2.564 170 G HA2 -0.286 3.654 3.960 -0.034 0.000 0.273 170 G HA3 -0.286 3.654 3.960 -0.034 0.000 0.273 170 G C -1.125 173.504 174.900 -0.452 0.000 1.242 170 G CA 0.276 45.239 45.100 -0.229 0.000 0.951 170 G HN 0.375 nan 8.290 nan 0.000 0.564 171 Y N -1.364 118.963 120.300 0.046 0.000 2.553 171 Y HA 0.583 5.116 4.550 -0.029 0.000 0.347 171 Y C 0.519 176.437 175.900 0.029 0.000 1.019 171 Y CA -0.412 57.709 58.100 0.035 0.000 1.032 171 Y CB 2.199 40.687 38.460 0.047 0.000 1.284 171 Y HN 1.007 nan 8.280 nan 0.000 0.466 172 V N 0.779 120.783 119.914 0.150 0.000 2.628 172 V HA 0.679 4.779 4.120 -0.034 0.000 0.306 172 V C -1.030 175.107 176.094 0.071 0.000 1.045 172 V CA -1.053 61.283 62.300 0.060 0.000 0.905 172 V CB 1.745 33.544 31.823 -0.041 0.000 0.997 172 V HN 0.710 nan 8.190 nan 0.000 0.436 173 L N 5.982 127.235 121.223 0.050 0.000 2.288 173 L HA 0.620 4.939 4.340 -0.034 0.000 0.283 173 L C 0.257 177.138 176.870 0.017 0.000 1.072 173 L CA -0.146 54.718 54.840 0.039 0.000 0.862 173 L CB 0.017 42.103 42.059 0.045 0.000 1.245 173 L HN 0.966 nan 8.230 nan 0.000 0.432 174 R N 2.756 123.264 120.500 0.013 0.000 2.534 174 R HA 0.489 4.808 4.340 -0.034 0.000 0.301 174 R C -0.758 175.544 176.300 0.004 0.000 0.961 174 R CA -0.572 55.529 56.100 0.002 0.000 0.871 174 R CB 1.192 31.488 30.300 -0.007 0.000 1.170 174 R HN 0.585 nan 8.270 nan 0.000 0.446 175 D N 1.955 122.356 120.400 0.002 0.000 3.090 175 D HA -0.172 4.447 4.640 -0.034 0.000 0.215 175 D C 0.871 177.172 176.300 0.001 0.000 1.140 175 D CA 1.937 55.938 54.000 0.001 0.000 0.937 175 D CB -1.051 39.749 40.800 -0.000 0.000 1.108 175 D HN 1.129 nan 8.370 nan 0.000 0.420 176 G N -0.314 108.488 108.800 0.004 0.000 2.225 176 G HA2 -0.361 3.578 3.960 -0.034 0.000 0.254 176 G HA3 -0.361 3.578 3.960 -0.034 0.000 0.254 176 G C 0.389 175.285 174.900 -0.007 0.000 0.988 176 G CA 0.618 45.718 45.100 0.001 0.000 0.625 176 G HN 0.491 nan 8.290 nan 0.000 0.527 177 R N 1.195 121.692 120.500 -0.005 0.000 2.668 177 R HA 0.559 4.878 4.340 -0.034 0.000 0.279 177 R C -2.556 173.743 176.300 -0.002 0.000 0.976 177 R CA -1.805 54.287 56.100 -0.014 0.000 0.978 177 R CB 1.928 32.221 30.300 -0.012 0.000 1.133 177 R HN 0.125 nan 8.270 nan 0.000 0.484 178 P HA 0.142 nan 4.420 nan 0.000 0.287 178 P C -0.876 176.487 177.300 0.106 0.000 1.281 178 P CA -0.225 62.882 63.100 0.010 0.000 0.781 178 P CB 1.319 32.918 31.700 -0.168 0.000 0.903 179 V N 3.874 123.903 119.914 0.191 0.000 2.540 179 V HA 0.150 4.249 4.120 -0.034 0.000 0.302 179 V C 0.020 176.241 176.094 0.212 0.000 1.035 179 V CA -0.883 61.531 62.300 0.190 0.000 0.873 179 V CB 1.581 33.451 31.823 0.079 0.000 0.992 179 V HN 0.458 nan 8.190 nan 0.000 0.428 180 E N 2.403 122.694 120.200 0.152 0.000 2.905 180 E HA -0.022 4.307 4.350 -0.034 0.000 0.240 180 E C 1.199 177.740 176.600 -0.098 0.000 0.990 180 E CA 0.384 56.713 56.400 -0.120 0.000 0.954 180 E CB -0.090 29.545 29.700 -0.109 0.000 0.908 180 E HN 0.704 nan 8.360 nan 0.000 0.532 181 T N 2.973 117.441 114.554 -0.142 0.000 2.624 181 T HA -0.341 3.988 4.350 -0.034 0.000 0.268 181 T C 1.892 176.548 174.700 -0.073 0.000 1.041 181 T CA 1.814 63.861 62.100 -0.088 0.000 1.159 181 T CB -0.345 68.477 68.868 -0.077 0.000 0.863 181 T HN 0.665 nan 8.240 nan 0.000 0.434 182 A N 1.264 124.033 122.820 -0.085 0.000 1.909 182 A HA -0.376 3.923 4.320 -0.034 0.000 0.221 182 A C 2.263 179.823 177.584 -0.041 0.000 1.223 182 A CA 2.788 54.791 52.037 -0.057 0.000 0.658 182 A CB -1.171 17.788 19.000 -0.068 0.000 0.831 182 A HN 0.656 nan 8.150 nan 0.000 0.462 183 Q N -0.728 119.046 119.800 -0.043 0.000 2.030 183 Q HA -0.150 4.169 4.340 -0.034 0.000 0.204 183 Q C 2.004 177.988 176.000 -0.027 0.000 0.986 183 Q CA 2.333 58.119 55.803 -0.028 0.000 0.843 183 Q CB -0.307 28.419 28.738 -0.020 0.000 0.904 183 Q HN 0.424 nan 8.270 nan 0.000 0.420 184 V N 1.292 121.184 119.914 -0.035 0.000 2.380 184 V HA -0.307 3.792 4.120 -0.034 0.000 0.251 184 V C 2.341 178.409 176.094 -0.045 0.000 1.063 184 V CA 1.678 63.952 62.300 -0.044 0.000 1.055 184 V CB -0.606 31.177 31.823 -0.067 0.000 0.657 184 V HN 0.410 nan 8.190 nan 0.000 0.455 185 L N -0.029 121.171 121.223 -0.039 0.000 2.017 185 L HA -0.150 4.170 4.340 -0.034 0.000 0.208 185 L C 2.755 179.623 176.870 -0.004 0.000 1.073 185 L CA 1.652 56.484 54.840 -0.014 0.000 0.745 185 L CB -0.877 41.188 42.059 0.011 0.000 0.894 185 L HN 0.369 nan 8.230 nan 0.000 0.432 186 A N -0.307 122.507 122.820 -0.009 0.000 1.933 186 A HA -0.197 4.102 4.320 -0.034 0.000 0.218 186 A C 2.029 179.609 177.584 -0.007 0.000 1.175 186 A CA 1.309 53.342 52.037 -0.006 0.000 0.628 186 A CB -0.432 18.562 19.000 -0.009 0.000 0.814 186 A HN 0.416 nan 8.150 nan 0.000 0.444 187 E N -0.850 119.343 120.200 -0.012 0.000 2.526 187 E HA -0.042 4.287 4.350 -0.034 0.000 0.198 187 E C 1.006 177.599 176.600 -0.010 0.000 1.091 187 E CA 0.224 56.617 56.400 -0.011 0.000 0.880 187 E CB 0.035 29.726 29.700 -0.015 0.000 0.873 187 E HN 0.541 nan 8.360 nan 0.000 0.527 188 R N -2.057 118.439 120.500 -0.007 0.000 2.539 188 R HA 0.155 4.474 4.340 -0.034 0.000 0.342 188 R C 1.102 177.406 176.300 0.008 0.000 0.941 188 R CA 0.467 56.565 56.100 -0.002 0.000 1.146 188 R CB 1.409 31.704 30.300 -0.008 0.000 1.541 188 R HN 0.165 nan 8.270 nan 0.000 0.525 189 G N 1.991 110.796 108.800 0.007 0.000 2.253 189 G HA2 -0.284 3.655 3.960 -0.034 0.000 0.251 189 G HA3 -0.284 3.655 3.960 -0.034 0.000 0.251 189 G C 0.365 175.276 174.900 0.018 0.000 0.998 189 G CA 0.053 45.159 45.100 0.010 0.000 0.621 189 G HN 0.188 nan 8.290 nan 0.000 0.524 190 I N 1.438 122.026 120.570 0.031 0.000 2.752 190 I HA 0.222 4.371 4.170 -0.034 0.000 0.287 190 I C 0.193 176.334 176.117 0.039 0.000 1.188 190 I CA 0.201 61.531 61.300 0.050 0.000 1.427 190 I CB 0.590 38.650 38.000 0.100 0.000 1.365 190 I HN 0.016 nan 8.210 nan 0.000 0.585 191 E N 6.687 126.906 120.200 0.032 0.000 2.145 191 E HA 0.372 4.702 4.350 -0.034 0.000 0.270 191 E C -2.182 174.431 176.600 0.020 0.000 0.906 191 E CA -2.016 54.395 56.400 0.019 0.000 0.761 191 E CB 1.200 30.903 29.700 0.006 0.000 1.116 191 E HN 0.270 nan 8.360 nan 0.000 0.408 192 P HA -0.037 nan 4.420 nan 0.000 0.264 192 P C -0.010 177.287 177.300 -0.006 0.000 1.179 192 P CA 0.357 63.467 63.100 0.016 0.000 0.763 192 P CB 0.524 32.228 31.700 0.006 0.000 0.806 193 L N 1.756 122.969 121.223 -0.018 0.000 2.479 193 L HA 0.318 4.637 4.340 -0.034 0.000 0.249 193 L C 0.926 177.776 176.870 -0.034 0.000 1.178 193 L CA -0.222 54.597 54.840 -0.035 0.000 0.811 193 L CB 0.374 42.399 42.059 -0.056 0.000 1.187 193 L HN 0.416 nan 8.230 nan 0.000 0.480 194 E N 1.216 121.392 120.200 -0.040 0.000 2.216 194 E HA 0.329 4.659 4.350 -0.034 0.000 0.260 194 E C -1.286 175.285 176.600 -0.049 0.000 0.880 194 E CA -0.660 55.714 56.400 -0.044 0.000 0.765 194 E CB 1.421 31.092 29.700 -0.047 0.000 1.174 194 E HN 0.425 nan 8.360 nan 0.000 0.417 195 L N 4.820 126.014 121.223 -0.048 0.000 2.477 195 L HA 0.245 4.564 4.340 -0.034 0.000 0.272 195 L C 0.944 177.779 176.870 -0.058 0.000 1.157 195 L CA 0.300 55.113 54.840 -0.044 0.000 0.889 195 L CB 0.254 42.291 42.059 -0.037 0.000 1.158 195 L HN 0.484 nan 8.230 nan 0.000 0.473 196 R N 1.912 122.385 120.500 -0.045 0.000 2.740 196 R HA 0.429 4.748 4.340 -0.034 0.000 0.223 196 R C -0.629 175.680 176.300 0.015 0.000 1.362 196 R CA -1.078 54.973 56.100 -0.083 0.000 1.069 196 R CB 0.482 30.744 30.300 -0.063 0.000 1.739 196 R HN 0.163 nan 8.270 nan 0.000 0.533 197 F N 2.645 122.633 119.950 0.063 0.000 2.473 197 F HA -0.173 4.334 4.527 -0.035 0.000 0.405 197 F C 1.544 177.451 175.800 0.179 0.000 0.988 197 F CA 1.114 59.189 58.000 0.125 0.000 1.096 197 F CB -0.240 38.863 39.000 0.172 0.000 0.944 197 F HN 0.597 nan 8.300 nan 0.000 0.530 198 K N 1.218 121.822 120.400 0.340 0.000 3.584 198 K HA -0.301 3.999 4.320 -0.034 0.000 0.300 198 K C 1.152 177.798 176.600 0.076 0.000 1.285 198 K CA 1.747 58.144 56.287 0.183 0.000 1.008 198 K CB -0.933 31.640 32.500 0.121 0.000 1.271 198 K HN 0.768 nan 8.250 nan 0.000 0.447 199 E N -0.737 119.507 120.200 0.073 0.000 2.152 199 E HA -0.080 4.249 4.350 -0.034 0.000 0.192 199 E C 1.903 178.496 176.600 -0.013 0.000 0.983 199 E CA 1.006 57.414 56.400 0.014 0.000 0.818 199 E CB -0.066 29.639 29.700 0.009 0.000 0.758 199 E HN 0.570 nan 8.360 nan 0.000 0.467 200 G N 1.536 110.328 108.800 -0.013 0.000 2.408 200 G HA2 -0.190 3.750 3.960 -0.034 0.000 0.215 200 G HA3 -0.190 3.750 3.960 -0.034 0.000 0.215 200 G C 1.555 176.406 174.900 -0.082 0.000 1.156 200 G CA 0.195 45.263 45.100 -0.054 0.000 0.793 200 G HN 0.113 nan 8.290 nan 0.000 0.535 201 L N 1.688 122.878 121.223 -0.055 0.000 1.976 201 L HA 0.147 4.466 4.340 -0.034 0.000 0.209 201 L C 2.981 179.835 176.870 -0.026 0.000 1.071 201 L CA 2.361 57.166 54.840 -0.060 0.000 0.746 201 L CB -0.942 41.147 42.059 0.051 0.000 0.890 201 L HN 0.213 nan 8.230 nan 0.000 0.432 202 A N -0.896 121.919 122.820 -0.008 0.000 2.076 202 A HA -0.151 4.149 4.320 -0.034 0.000 0.220 202 A C 2.278 179.853 177.584 -0.015 0.000 1.160 202 A CA 1.796 53.829 52.037 -0.007 0.000 0.653 202 A CB -0.872 18.109 19.000 -0.032 0.000 0.801 202 A HN 0.547 nan 8.150 nan 0.000 0.455 203 L N -0.709 120.497 121.223 -0.029 0.000 2.240 203 L HA -0.003 4.316 4.340 -0.034 0.000 0.211 203 L C 2.209 179.065 176.870 -0.023 0.000 1.106 203 L CA 1.227 56.049 54.840 -0.029 0.000 0.793 203 L CB -0.120 41.917 42.059 -0.037 0.000 0.927 203 L HN 0.715 nan 8.230 nan 0.000 0.446 204 I N -5.466 115.082 120.570 -0.037 0.000 4.323 204 I HA 0.161 4.310 4.170 -0.034 0.000 0.328 204 I C 0.825 176.926 176.117 -0.027 0.000 1.310 204 I CA -0.066 61.212 61.300 -0.035 0.000 1.186 204 I CB 0.122 38.078 38.000 -0.073 0.000 1.130 204 I HN -0.024 nan 8.210 nan 0.000 0.411 205 N N 2.293 120.987 118.700 -0.010 0.000 3.303 205 N HA 0.465 5.184 4.740 -0.034 0.000 0.304 205 N C -0.116 175.466 175.510 0.121 0.000 1.302 205 N CA 0.242 53.312 53.050 0.033 0.000 1.213 205 N CB 0.069 38.603 38.487 0.079 0.000 1.481 205 N HN 0.646 nan 8.380 nan 0.000 0.546 206 G N -1.549 107.306 108.800 0.091 0.000 2.706 206 G HA2 0.224 4.163 3.960 -0.034 0.000 0.307 206 G HA3 0.224 4.163 3.960 -0.034 0.000 0.307 206 G C -0.068 174.878 174.900 0.076 0.000 1.307 206 G CA -0.327 44.840 45.100 0.113 0.000 0.790 206 G HN 0.176 nan 8.290 nan 0.000 0.503 207 T N -2.121 112.467 114.554 0.057 0.000 3.214 207 T HA 0.273 4.602 4.350 -0.034 0.000 0.264 207 T C 1.626 176.326 174.700 0.001 0.000 1.012 207 T CA 0.933 63.050 62.100 0.029 0.000 0.901 207 T CB 0.314 69.198 68.868 0.026 0.000 1.070 207 T HN 0.237 nan 8.240 nan 0.000 0.561 208 S N 1.186 116.884 115.700 -0.003 0.000 2.399 208 S HA 0.025 4.475 4.470 -0.034 0.000 0.231 208 S C 2.276 176.844 174.600 -0.053 0.000 1.022 208 S CA 1.242 59.427 58.200 -0.026 0.000 0.983 208 S CB -0.752 62.434 63.200 -0.022 0.000 0.803 208 S HN 0.784 nan 8.310 nan 0.000 0.480 209 G N 2.871 111.644 108.800 -0.046 0.000 2.484 209 G HA2 -0.257 3.682 3.960 -0.034 0.000 0.215 209 G HA3 -0.257 3.682 3.960 -0.034 0.000 0.215 209 G C 1.470 176.315 174.900 -0.092 0.000 1.219 209 G CA 1.209 46.258 45.100 -0.085 0.000 0.791 209 G HN 0.626 nan 8.290 nan 0.000 0.550 210 M N -0.354 119.225 119.600 -0.035 0.000 2.296 210 M HA 0.072 4.531 4.480 -0.034 0.000 0.265 210 M C 2.154 178.434 176.300 -0.033 0.000 1.064 210 M CA 2.070 57.357 55.300 -0.022 0.000 1.109 210 M CB -0.753 31.844 32.600 -0.005 0.000 1.396 210 M HN 0.034 nan 8.290 nan 0.000 0.430 211 T N 0.917 115.449 114.554 -0.038 0.000 2.896 211 T HA 0.091 4.420 4.350 -0.034 0.000 0.263 211 T C 1.931 176.603 174.700 -0.046 0.000 1.050 211 T CA 1.340 63.419 62.100 -0.035 0.000 1.140 211 T CB -0.424 68.426 68.868 -0.029 0.000 0.877 211 T HN 0.701 nan 8.240 nan 0.000 0.457 212 G N 1.489 110.246 108.800 -0.071 0.000 2.394 212 G HA2 -0.080 3.859 3.960 -0.034 0.000 0.214 212 G HA3 -0.080 3.859 3.960 -0.034 0.000 0.214 212 G C 1.506 176.350 174.900 -0.093 0.000 1.176 212 G CA 0.533 45.582 45.100 -0.085 0.000 0.786 212 G HN 0.406 nan 8.290 nan 0.000 0.533 213 L N 1.587 122.733 121.223 -0.129 0.000 2.056 213 L HA 0.208 4.527 4.340 -0.034 0.000 0.207 213 L C 2.678 179.531 176.870 -0.028 0.000 1.078 213 L CA 2.322 57.100 54.840 -0.103 0.000 0.749 213 L CB -0.927 41.057 42.059 -0.125 0.000 0.901 213 L HN 0.144 nan 8.230 nan 0.000 0.433 214 G N -1.753 107.035 108.800 -0.020 0.000 2.471 214 G HA2 -0.188 3.752 3.960 -0.034 0.000 0.219 214 G HA3 -0.188 3.752 3.960 -0.034 0.000 0.219 214 G C 1.566 176.470 174.900 0.006 0.000 1.125 214 G CA 0.798 45.899 45.100 0.002 0.000 0.775 214 G HN 0.464 nan 8.290 nan 0.000 0.548 215 S N 0.218 115.915 115.700 -0.006 0.000 2.355 215 S HA 0.009 4.458 4.470 -0.034 0.000 0.222 215 S C 2.331 176.939 174.600 0.013 0.000 1.031 215 S CA 0.687 58.888 58.200 0.002 0.000 0.993 215 S CB -0.231 62.963 63.200 -0.009 0.000 0.859 215 S HN 0.338 nan 8.310 nan 0.000 0.453 216 L N 1.105 122.331 121.223 0.005 0.000 1.989 216 L HA -0.135 4.184 4.340 -0.034 0.000 0.211 216 L C 2.379 179.266 176.870 0.029 0.000 1.071 216 L CA 1.083 55.932 54.840 0.014 0.000 0.749 216 L CB -0.986 41.077 42.059 0.008 0.000 0.890 216 L HN 0.193 nan 8.230 nan 0.000 0.431 217 V N -0.473 119.460 119.914 0.032 0.000 2.252 217 V HA -0.291 3.809 4.120 -0.034 0.000 0.249 217 V C 2.434 178.557 176.094 0.050 0.000 1.056 217 V CA 1.904 64.231 62.300 0.044 0.000 1.022 217 V CB -0.468 31.382 31.823 0.046 0.000 0.641 217 V HN 0.219 nan 8.190 nan 0.000 0.445 218 V N 0.737 120.680 119.914 0.050 0.000 2.407 218 V HA -0.164 3.936 4.120 -0.034 0.000 0.248 218 V C 2.601 178.737 176.094 0.069 0.000 1.055 218 V CA 2.080 64.418 62.300 0.063 0.000 1.049 218 V CB -1.367 30.496 31.823 0.066 0.000 0.662 218 V HN 0.629 nan 8.190 nan 0.000 0.455 219 G N -0.053 108.781 108.800 0.057 0.000 2.421 219 G HA2 -0.241 3.699 3.960 -0.034 0.000 0.216 219 G HA3 -0.241 3.699 3.960 -0.034 0.000 0.216 219 G C 1.758 176.694 174.900 0.060 0.000 1.171 219 G CA 0.753 45.887 45.100 0.057 0.000 0.775 219 G HN 0.444 nan 8.290 nan 0.000 0.543 220 R N 0.544 121.076 120.500 0.054 0.000 2.075 220 R HA 0.127 4.446 4.340 -0.034 0.000 0.232 220 R C 3.048 179.386 176.300 0.063 0.000 1.126 220 R CA 0.974 57.107 56.100 0.056 0.000 0.963 220 R CB -0.437 29.893 30.300 0.051 0.000 0.858 220 R HN 0.323 nan 8.270 nan 0.000 0.435 221 A N 1.524 124.382 122.820 0.062 0.000 1.903 221 A HA -0.212 4.087 4.320 -0.034 0.000 0.219 221 A C 2.177 179.800 177.584 0.066 0.000 1.191 221 A CA 1.527 53.602 52.037 0.062 0.000 0.638 221 A CB -0.731 18.307 19.000 0.063 0.000 0.823 221 A HN 0.214 nan 8.150 nan 0.000 0.451 222 L N -1.295 119.975 121.223 0.079 0.000 2.083 222 L HA -0.196 4.124 4.340 -0.034 0.000 0.209 222 L C 2.627 179.548 176.870 0.085 0.000 1.083 222 L CA 1.728 56.623 54.840 0.093 0.000 0.752 222 L CB -0.417 41.719 42.059 0.128 0.000 0.899 222 L HN 0.509 nan 8.230 nan 0.000 0.433 223 E N -0.438 119.809 120.200 0.079 0.000 2.106 223 E HA -0.282 4.048 4.350 -0.034 0.000 0.192 223 E C 2.196 178.847 176.600 0.085 0.000 0.984 223 E CA 0.966 57.413 56.400 0.079 0.000 0.806 223 E CB 0.083 29.825 29.700 0.070 0.000 0.750 223 E HN 0.416 nan 8.360 nan 0.000 0.458 224 Q N -0.333 119.514 119.800 0.078 0.000 2.167 224 Q HA -0.120 4.199 4.340 -0.034 0.000 0.202 224 Q C 1.917 177.961 176.000 0.073 0.000 0.970 224 Q CA 1.086 56.937 55.803 0.081 0.000 0.855 224 Q CB 0.001 28.781 28.738 0.070 0.000 0.911 224 Q HN 0.260 nan 8.270 nan 0.000 0.438 225 A N 0.485 123.342 122.820 0.061 0.000 1.873 225 A HA -0.225 4.074 4.320 -0.034 0.000 0.215 225 A C 1.928 179.543 177.584 0.052 0.000 1.186 225 A CA 1.428 53.492 52.037 0.045 0.000 0.616 225 A CB -0.474 18.546 19.000 0.032 0.000 0.823 225 A HN 0.478 nan 8.150 nan 0.000 0.442 226 Q N -0.515 119.325 119.800 0.068 0.000 2.002 226 Q HA -0.243 4.076 4.340 -0.034 0.000 0.204 226 Q C 2.280 178.333 176.000 0.087 0.000 0.988 226 Q CA 1.833 57.678 55.803 0.071 0.000 0.843 226 Q CB -0.287 28.499 28.738 0.080 0.000 0.908 226 Q HN 0.747 nan 8.270 nan 0.000 0.420 227 Q N -0.154 119.720 119.800 0.124 0.000 2.291 227 Q HA -0.121 4.198 4.340 -0.034 0.000 0.206 227 Q C 1.967 178.057 176.000 0.151 0.000 0.976 227 Q CA 0.985 56.904 55.803 0.193 0.000 0.875 227 Q CB -0.111 28.767 28.738 0.234 0.000 0.927 227 Q HN 0.364 nan 8.270 nan 0.000 0.450 228 A N 1.078 123.947 122.820 0.082 0.000 1.929 228 A HA -0.193 4.106 4.320 -0.034 0.000 0.216 228 A C 1.772 179.341 177.584 -0.027 0.000 1.176 228 A CA 1.228 53.278 52.037 0.021 0.000 0.628 228 A CB -0.209 18.806 19.000 0.025 0.000 0.816 228 A HN 0.282 nan 8.150 nan 0.000 0.444 229 E N -0.199 119.997 120.200 -0.007 0.000 2.106 229 E HA -0.110 4.220 4.350 -0.034 0.000 0.192 229 E C 1.813 178.375 176.600 -0.062 0.000 0.984 229 E CA 1.070 57.448 56.400 -0.037 0.000 0.806 229 E CB -0.244 29.443 29.700 -0.022 0.000 0.750 229 E HN 0.692 nan 8.360 nan 0.000 0.458 230 I N 0.605 121.165 120.570 -0.017 0.000 2.099 230 I HA -0.288 3.862 4.170 -0.034 0.000 0.239 230 I C 2.321 178.363 176.117 -0.124 0.000 1.066 230 I CA 1.111 62.407 61.300 -0.007 0.000 1.324 230 I CB -0.440 37.640 38.000 0.134 0.000 1.037 230 I HN 0.055 nan 8.210 nan 0.000 0.401 231 V N -0.905 118.827 119.914 -0.303 0.000 2.407 231 V HA -0.241 3.859 4.120 -0.034 0.000 0.248 231 V C 2.370 178.274 176.094 -0.318 0.000 1.055 231 V CA 2.298 64.243 62.300 -0.592 0.000 1.049 231 V CB -1.624 29.599 31.823 -1.000 0.000 0.662 231 V HN 0.420 nan 8.190 nan 0.000 0.455 232 T N 0.834 115.262 114.554 -0.210 0.000 2.788 232 T HA -0.091 4.238 4.350 -0.034 0.000 0.268 232 T C 2.159 176.783 174.700 -0.127 0.000 1.044 232 T CA 1.782 63.802 62.100 -0.133 0.000 1.139 232 T CB -0.459 68.359 68.868 -0.082 0.000 0.867 232 T HN 0.647 nan 8.240 nan 0.000 0.454 233 A N 1.394 124.125 122.820 -0.149 0.000 1.877 233 A HA -0.020 4.279 4.320 -0.034 0.000 0.216 233 A C 2.234 179.749 177.584 -0.116 0.000 1.186 233 A CA 1.329 53.272 52.037 -0.156 0.000 0.620 233 A CB -0.831 18.079 19.000 -0.150 0.000 0.822 233 A HN 0.412 nan 8.150 nan 0.000 0.443 234 L N -0.688 120.467 121.223 -0.113 0.000 2.012 234 L HA -0.132 4.188 4.340 -0.034 0.000 0.210 234 L C 2.253 179.074 176.870 -0.081 0.000 1.073 234 L CA 2.177 56.964 54.840 -0.088 0.000 0.748 234 L CB -0.691 41.318 42.059 -0.084 0.000 0.891 234 L HN 0.353 nan 8.230 nan 0.000 0.431 235 L N -0.461 120.703 121.223 -0.098 0.000 2.017 235 L HA -0.188 4.131 4.340 -0.034 0.000 0.208 235 L C 2.391 179.243 176.870 -0.030 0.000 1.073 235 L CA 1.859 56.658 54.840 -0.070 0.000 0.745 235 L CB -0.529 41.482 42.059 -0.081 0.000 0.894 235 L HN 0.317 nan 8.230 nan 0.000 0.432 236 I N -0.602 119.953 120.570 -0.025 0.000 2.264 236 I HA -0.296 3.853 4.170 -0.034 0.000 0.248 236 I C 2.326 178.440 176.117 -0.005 0.000 1.111 236 I CA 1.491 62.799 61.300 0.013 0.000 1.382 236 I CB -0.374 37.637 38.000 0.019 0.000 1.060 236 I HN 0.403 nan 8.210 nan 0.000 0.418 237 E N 0.704 120.882 120.200 -0.037 0.000 2.152 237 E HA -0.125 4.204 4.350 -0.034 0.000 0.192 237 E C 2.329 178.902 176.600 -0.044 0.000 0.983 237 E CA 1.031 57.403 56.400 -0.047 0.000 0.818 237 E CB -0.054 29.603 29.700 -0.072 0.000 0.758 237 E HN 0.496 nan 8.360 nan 0.000 0.467 238 A N 1.306 124.102 122.820 -0.040 0.000 1.930 238 A HA -0.104 4.195 4.320 -0.034 0.000 0.217 238 A C 2.313 179.893 177.584 -0.006 0.000 1.175 238 A CA 1.362 53.378 52.037 -0.035 0.000 0.627 238 A CB -0.350 18.628 19.000 -0.038 0.000 0.815 238 A HN 0.220 nan 8.150 nan 0.000 0.443 239 V N -4.085 115.843 119.914 0.023 0.000 3.514 239 V HA 0.292 4.392 4.120 -0.034 0.000 0.301 239 V C 0.535 176.647 176.094 0.030 0.000 1.346 239 V CA 0.150 62.501 62.300 0.085 0.000 1.156 239 V CB -1.252 30.698 31.823 0.211 0.000 1.029 239 V HN 0.509 nan 8.190 nan 0.000 0.428 240 R N 0.414 120.910 120.500 -0.007 0.000 3.333 240 R HA -0.140 4.179 4.340 -0.034 0.000 0.256 240 R C 0.835 177.098 176.300 -0.062 0.000 1.010 240 R CA 0.573 56.652 56.100 -0.035 0.000 0.680 240 R CB -2.007 28.267 30.300 -0.043 0.000 1.102 240 R HN 0.830 nan 8.270 nan 0.000 0.440 241 G N 0.120 108.903 108.800 -0.029 0.000 2.616 241 G HA2 0.284 4.223 3.960 -0.034 0.000 0.268 241 G HA3 0.284 4.223 3.960 -0.034 0.000 0.268 241 G C -0.028 174.885 174.900 0.023 0.000 1.213 241 G CA -0.167 44.916 45.100 -0.028 0.000 0.926 241 G HN 0.181 nan 8.290 nan 0.000 0.523 242 S N -1.873 113.847 115.700 0.034 0.000 2.585 242 S HA 0.281 4.730 4.470 -0.034 0.000 0.273 242 S C 1.654 176.344 174.600 0.149 0.000 1.339 242 S CA 0.322 58.562 58.200 0.066 0.000 1.028 242 S CB 0.788 64.019 63.200 0.051 0.000 0.906 242 S HN 0.917 nan 8.310 nan 0.000 0.528 243 T N 0.534 115.183 114.554 0.159 0.000 3.040 243 T HA 0.098 4.428 4.350 -0.034 0.000 0.250 243 T C 1.869 176.693 174.700 0.205 0.000 1.058 243 T CA 0.606 62.879 62.100 0.287 0.000 0.988 243 T CB -0.156 68.829 68.868 0.196 0.000 0.993 243 T HN 0.458 nan 8.240 nan 0.000 0.519 244 S N 2.905 118.647 115.700 0.070 0.000 2.365 244 S HA -0.041 4.408 4.470 -0.034 0.000 0.225 244 S C -0.617 173.906 174.600 -0.128 0.000 1.039 244 S CA 1.444 59.639 58.200 -0.009 0.000 1.033 244 S CB -1.269 61.921 63.200 -0.017 0.000 0.887 244 S HN 0.418 nan 8.310 nan 0.000 0.447 245 P HA -0.072 nan 4.420 nan 0.000 0.220 245 P C 0.306 177.279 177.300 -0.546 0.000 1.144 245 P CA 1.050 63.810 63.100 -0.567 0.000 0.800 245 P CB -0.151 31.013 31.700 -0.893 0.000 0.772 246 F N -2.418 117.599 119.950 0.111 0.000 2.664 246 F HA 0.209 4.715 4.527 -0.035 0.000 0.303 246 F C 0.953 176.823 175.800 0.116 0.000 1.092 246 F CA -0.600 57.461 58.000 0.102 0.000 1.305 246 F CB -0.763 38.244 39.000 0.012 0.000 1.054 246 F HN -0.251 nan 8.300 nan 0.000 0.565 247 L N 0.886 122.229 121.223 0.200 0.000 2.513 247 L HA 0.084 4.403 4.340 -0.034 0.000 0.272 247 L C 1.754 178.743 176.870 0.198 0.000 1.187 247 L CA -0.262 54.667 54.840 0.147 0.000 0.895 247 L CB 0.718 42.815 42.059 0.063 0.000 1.147 247 L HN 0.273 nan 8.230 nan 0.000 0.483 248 A N 3.554 126.470 122.820 0.161 0.000 2.042 248 A HA -0.214 4.085 4.320 -0.034 0.000 0.222 248 A C 2.116 179.784 177.584 0.140 0.000 1.167 248 A CA 1.870 54.006 52.037 0.165 0.000 0.649 248 A CB -0.414 18.641 19.000 0.093 0.000 0.809 248 A HN 0.907 nan 8.150 nan 0.000 0.457 249 E N -0.351 119.892 120.200 0.072 0.000 2.077 249 E HA -0.142 4.187 4.350 -0.034 0.000 0.193 249 E C 1.962 178.543 176.600 -0.032 0.000 0.989 249 E CA 1.385 57.795 56.400 0.017 0.000 0.800 249 E CB -1.133 28.562 29.700 -0.008 0.000 0.746 249 E HN 0.458 nan 8.360 nan 0.000 0.452 250 G N 0.029 108.773 108.800 -0.094 0.000 2.535 250 G HA2 -0.194 3.746 3.960 -0.034 0.000 0.218 250 G HA3 -0.194 3.746 3.960 -0.034 0.000 0.218 250 G C 0.736 175.330 174.900 -0.510 0.000 1.122 250 G CA 1.182 46.090 45.100 -0.321 0.000 0.769 250 G HN 0.394 nan 8.290 nan 0.000 0.549 251 H N -0.938 118.131 119.070 -0.001 0.000 2.143 251 H HA 0.180 4.716 4.556 -0.034 0.000 0.238 251 H C 1.789 177.123 175.328 0.009 0.000 0.914 251 H CA 0.265 56.322 56.048 0.015 0.000 1.154 251 H CB -0.104 29.681 29.762 0.038 0.000 1.359 251 H HN 0.121 nan 8.280 nan 0.000 0.493 252 D N 0.504 120.999 120.400 0.157 0.000 2.228 252 D HA -0.098 4.521 4.640 -0.034 0.000 0.203 252 D C 1.414 177.734 176.300 0.032 0.000 0.988 252 D CA 1.399 55.447 54.000 0.079 0.000 0.864 252 D CB 0.263 41.105 40.800 0.070 0.000 0.928 252 D HN 0.413 nan 8.370 nan 0.000 0.469 253 I N -0.550 120.029 120.570 0.015 0.000 3.366 253 I HA 0.109 4.258 4.170 -0.034 0.000 0.267 253 I C 2.190 178.287 176.117 -0.033 0.000 1.149 253 I CA 0.348 61.641 61.300 -0.012 0.000 1.436 253 I CB -0.087 37.904 38.000 -0.015 0.000 1.379 253 I HN -0.087 nan 8.210 nan 0.000 0.460 254 A N 0.621 123.409 122.820 -0.054 0.000 1.872 254 A HA -0.014 4.285 4.320 -0.034 0.000 0.214 254 A C 1.703 179.247 177.584 -0.067 0.000 1.187 254 A CA 1.212 53.205 52.037 -0.073 0.000 0.614 254 A CB -0.132 18.801 19.000 -0.111 0.000 0.826 254 A HN 0.320 nan 8.150 nan 0.000 0.442 255 R N -0.029 120.436 120.500 -0.057 0.000 2.639 255 R HA 0.210 4.529 4.340 -0.034 0.000 0.273 255 R C -2.776 173.523 176.300 -0.002 0.000 1.732 255 R CA -1.536 54.547 56.100 -0.028 0.000 1.586 255 R CB 1.172 31.485 30.300 0.023 0.000 1.263 255 R HN 0.175 nan 8.270 nan 0.000 0.615 256 P HA -0.040 nan 4.420 nan 0.000 0.237 256 P C -0.931 176.311 177.300 -0.096 0.000 1.701 256 P CA 0.107 63.178 63.100 -0.049 0.000 0.955 256 P CB -0.345 31.321 31.700 -0.058 0.000 1.937 257 H N 0.009 119.110 119.070 0.053 0.000 2.668 257 H HA 0.081 4.617 4.556 -0.034 0.000 0.303 257 H C 1.580 176.952 175.328 0.073 0.000 1.074 257 H CA -0.008 56.068 56.048 0.048 0.000 1.406 257 H CB 1.022 30.805 29.762 0.034 0.000 1.442 257 H HN 0.246 nan 8.280 nan 0.000 0.482 258 E N 3.021 123.334 120.200 0.187 0.000 2.082 258 E HA -0.279 4.050 4.350 -0.034 0.000 0.215 258 E C 2.194 178.940 176.600 0.243 0.000 1.048 258 E CA 1.937 58.456 56.400 0.197 0.000 0.869 258 E CB -0.300 29.539 29.700 0.232 0.000 0.773 258 E HN 0.925 nan 8.360 nan 0.000 0.466 259 G N -0.007 108.939 108.800 0.244 0.000 2.442 259 G HA2 -0.351 3.588 3.960 -0.034 0.000 0.219 259 G HA3 -0.351 3.588 3.960 -0.034 0.000 0.219 259 G C 1.475 176.427 174.900 0.086 0.000 1.141 259 G CA 0.915 46.093 45.100 0.131 0.000 0.763 259 G HN 0.415 nan 8.290 nan 0.000 0.554 260 Q N -0.204 119.661 119.800 0.108 0.000 2.084 260 Q HA -0.028 4.291 4.340 -0.034 0.000 0.202 260 Q C 2.533 178.555 176.000 0.037 0.000 0.978 260 Q CA 1.013 56.874 55.803 0.096 0.000 0.844 260 Q CB -0.193 28.665 28.738 0.201 0.000 0.898 260 Q HN 0.577 nan 8.270 nan 0.000 0.426 261 I N 1.002 121.626 120.570 0.088 0.000 2.226 261 I HA -0.275 3.874 4.170 -0.034 0.000 0.245 261 I C 1.636 177.763 176.117 0.015 0.000 1.100 261 I CA 1.055 62.386 61.300 0.050 0.000 1.374 261 I CB -0.353 37.699 38.000 0.088 0.000 1.057 261 I HN 0.231 nan 8.210 nan 0.000 0.413 262 D N 0.683 121.122 120.400 0.064 0.000 2.078 262 D HA -0.151 4.469 4.640 -0.034 0.000 0.193 262 D C 2.203 178.517 176.300 0.024 0.000 0.990 262 D CA 1.746 55.788 54.000 0.069 0.000 0.827 262 D CB -0.670 40.224 40.800 0.157 0.000 0.975 262 D HN 0.199 nan 8.370 nan 0.000 0.451 263 T N 1.015 115.579 114.554 0.016 0.000 2.699 263 T HA -0.187 4.142 4.350 -0.034 0.000 0.268 263 T C 1.970 176.645 174.700 -0.041 0.000 1.036 263 T CA 1.751 63.846 62.100 -0.007 0.000 1.147 263 T CB -0.384 68.485 68.868 0.001 0.000 0.862 263 T HN 0.231 nan 8.240 nan 0.000 0.446 264 A N 1.299 124.056 122.820 -0.104 0.000 1.908 264 A HA 0.100 4.399 4.320 -0.034 0.000 0.218 264 A C 2.641 180.190 177.584 -0.058 0.000 1.181 264 A CA 1.961 53.916 52.037 -0.137 0.000 0.627 264 A CB -1.086 17.598 19.000 -0.526 0.000 0.818 264 A HN 0.531 nan 8.150 nan 0.000 0.445 265 A N 0.059 122.851 122.820 -0.047 0.000 1.898 265 A HA -0.160 4.139 4.320 -0.034 0.000 0.216 265 A C 1.871 179.435 177.584 -0.034 0.000 1.181 265 A CA 1.734 53.759 52.037 -0.021 0.000 0.620 265 A CB -0.595 18.404 19.000 -0.002 0.000 0.819 265 A HN 0.523 nan 8.150 nan 0.000 0.442 266 N N -0.443 118.236 118.700 -0.036 0.000 2.289 266 N HA -0.091 4.628 4.740 -0.034 0.000 0.184 266 N C 1.549 177.000 175.510 -0.099 0.000 1.016 266 N CA 1.271 54.295 53.050 -0.044 0.000 0.872 266 N CB -0.326 38.148 38.487 -0.022 0.000 0.973 266 N HN 0.345 nan 8.380 nan 0.000 0.433 267 M N 0.308 119.811 119.600 -0.162 0.000 2.156 267 M HA 0.030 4.490 4.480 -0.034 0.000 0.264 267 M C 1.875 178.002 176.300 -0.289 0.000 1.067 267 M CA 1.040 56.139 55.300 -0.335 0.000 1.131 267 M CB -0.749 31.456 32.600 -0.657 0.000 1.368 267 M HN 0.107 nan 8.290 nan 0.000 0.416 268 R N -0.175 120.229 120.500 -0.160 0.000 2.092 268 R HA -0.027 4.293 4.340 -0.034 0.000 0.231 268 R C 2.242 178.504 176.300 -0.063 0.000 1.119 268 R CA 1.418 57.472 56.100 -0.076 0.000 0.970 268 R CB -0.367 29.933 30.300 -0.000 0.000 0.864 268 R HN 0.363 nan 8.270 nan 0.000 0.440 269 A N 1.050 123.836 122.820 -0.056 0.000 1.897 269 A HA -0.069 4.230 4.320 -0.034 0.000 0.215 269 A C 2.144 179.698 177.584 -0.048 0.000 1.181 269 A CA 0.845 52.859 52.037 -0.038 0.000 0.620 269 A CB -0.408 18.578 19.000 -0.024 0.000 0.821 269 A HN 0.158 nan 8.150 nan 0.000 0.443 270 L N -1.167 120.013 121.223 -0.072 0.000 2.083 270 L HA -0.148 4.172 4.340 -0.034 0.000 0.209 270 L C 2.435 179.257 176.870 -0.080 0.000 1.083 270 L CA 1.390 56.187 54.840 -0.072 0.000 0.752 270 L CB -0.302 41.699 42.059 -0.095 0.000 0.899 270 L HN 0.424 nan 8.230 nan 0.000 0.433 271 M N -1.339 118.198 119.600 -0.104 0.000 2.428 271 M HA 0.057 4.517 4.480 -0.034 0.000 0.239 271 M C 0.635 176.900 176.300 -0.058 0.000 1.121 271 M CA -0.090 55.155 55.300 -0.092 0.000 1.019 271 M CB 0.205 32.732 32.600 -0.122 0.000 1.485 271 M HN 0.022 nan 8.290 nan 0.000 0.484 272 R N 1.892 122.364 120.500 -0.046 0.000 2.480 272 R HA 0.070 4.389 4.340 -0.034 0.000 0.303 272 R C 0.561 176.844 176.300 -0.029 0.000 0.985 272 R CA 1.492 57.575 56.100 -0.028 0.000 1.051 272 R CB -0.137 30.151 30.300 -0.020 0.000 0.935 272 R HN 0.555 nan 8.270 nan 0.000 0.410 273 G N 2.498 111.282 108.800 -0.026 0.000 2.148 273 G HA2 -0.255 3.684 3.960 -0.034 0.000 0.203 273 G HA3 -0.255 3.684 3.960 -0.034 0.000 0.203 273 G C -0.060 174.815 174.900 -0.041 0.000 0.993 273 G CA 0.262 45.345 45.100 -0.029 0.000 0.661 273 G HN 0.753 nan 8.290 nan 0.000 0.518 274 S N -0.453 115.222 115.700 -0.042 0.000 2.586 274 S HA 0.620 5.069 4.470 -0.034 0.000 0.274 274 S C 1.488 176.064 174.600 -0.041 0.000 1.281 274 S CA 0.875 59.044 58.200 -0.052 0.000 1.035 274 S CB 1.309 64.478 63.200 -0.052 0.000 0.962 274 S HN 1.261 nan 8.310 nan 0.000 0.512 275 G N 2.890 111.661 108.800 -0.049 0.000 2.848 275 G HA2 0.155 4.094 3.960 -0.034 0.000 0.213 275 G HA3 0.155 4.094 3.960 -0.034 0.000 0.213 275 G C 0.998 175.877 174.900 -0.036 0.000 1.101 275 G CA -0.119 44.958 45.100 -0.037 0.000 0.778 275 G HN 0.634 nan 8.290 nan 0.000 0.536 276 L N 1.592 122.788 121.223 -0.046 0.000 2.209 276 L HA 0.128 4.447 4.340 -0.034 0.000 0.207 276 L C 2.021 178.872 176.870 -0.032 0.000 1.094 276 L CA 0.836 55.651 54.840 -0.043 0.000 0.790 276 L CB -0.462 41.563 42.059 -0.056 0.000 0.932 276 L HN 0.248 nan 8.230 nan 0.000 0.447 277 T N -0.750 113.788 114.554 -0.026 0.000 2.860 277 T HA 0.393 4.722 4.350 -0.034 0.000 0.299 277 T C -0.062 174.635 174.700 -0.005 0.000 1.045 277 T CA -0.683 61.412 62.100 -0.009 0.000 1.071 277 T CB 1.320 70.191 68.868 0.005 0.000 0.985 277 T HN 0.009 nan 8.240 nan 0.000 0.537 278 V N -0.640 119.275 119.914 0.002 0.000 3.019 278 V HA 0.763 4.863 4.120 -0.034 0.000 0.317 278 V C -0.347 175.761 176.094 0.024 0.000 1.094 278 V CA -1.272 61.028 62.300 -0.000 0.000 1.000 278 V CB 1.441 33.251 31.823 -0.022 0.000 1.060 278 V HN 1.110 nan 8.190 nan 0.000 0.443 279 E N -0.079 120.134 120.200 0.021 0.000 2.212 279 E HA 0.297 4.627 4.350 -0.034 0.000 0.268 279 E C 0.785 177.415 176.600 0.050 0.000 0.902 279 E CA -0.672 55.758 56.400 0.051 0.000 0.779 279 E CB 1.250 30.978 29.700 0.046 0.000 1.172 279 E HN 0.892 nan 8.360 nan 0.000 0.409 280 H N 3.714 122.784 119.070 -0.001 0.000 2.400 280 H HA -0.276 4.260 4.556 -0.035 0.000 0.295 280 H C 1.327 176.650 175.328 -0.008 0.000 1.118 280 H CA 2.299 58.343 56.048 -0.008 0.000 1.256 280 H CB 0.239 29.994 29.762 -0.011 0.000 1.365 280 H HN 0.608 nan 8.280 nan 0.000 0.502 281 A N 0.744 123.569 122.820 0.008 0.000 1.978 281 A HA -0.175 4.124 4.320 -0.034 0.000 0.220 281 A C 2.124 179.652 177.584 -0.092 0.000 1.170 281 A CA 1.823 53.838 52.037 -0.038 0.000 0.636 281 A CB -0.231 18.782 19.000 0.023 0.000 0.810 281 A HN 0.529 nan 8.150 nan 0.000 0.448 282 D N -0.240 120.116 120.400 -0.073 0.000 2.162 282 D HA -0.023 4.596 4.640 -0.034 0.000 0.203 282 D C 2.012 178.250 176.300 -0.104 0.000 0.967 282 D CA 0.572 54.530 54.000 -0.069 0.000 0.840 282 D CB -0.292 40.484 40.800 -0.041 0.000 0.972 282 D HN 0.417 nan 8.370 nan 0.000 0.482 283 L N 1.278 122.415 121.223 -0.143 0.000 1.989 283 L HA -0.193 4.126 4.340 -0.034 0.000 0.211 283 L C 2.813 179.569 176.870 -0.190 0.000 1.071 283 L CA 1.439 56.185 54.840 -0.156 0.000 0.749 283 L CB -0.278 41.685 42.059 -0.160 0.000 0.890 283 L HN 0.066 nan 8.230 nan 0.000 0.431 284 R N 0.014 120.328 120.500 -0.310 0.000 2.096 284 R HA -0.175 4.145 4.340 -0.034 0.000 0.235 284 R C 2.219 178.440 176.300 -0.133 0.000 1.127 284 R CA 1.229 57.187 56.100 -0.237 0.000 0.968 284 R CB -0.538 29.582 30.300 -0.300 0.000 0.861 284 R HN 0.281 nan 8.270 nan 0.000 0.440 285 R N 0.789 121.219 120.500 -0.117 0.000 2.096 285 R HA -0.133 4.186 4.340 -0.034 0.000 0.235 285 R C 2.315 178.578 176.300 -0.063 0.000 1.127 285 R CA 1.824 57.880 56.100 -0.073 0.000 0.968 285 R CB -0.265 30.000 30.300 -0.059 0.000 0.861 285 R HN 0.498 nan 8.270 nan 0.000 0.440 286 E N 0.833 120.991 120.200 -0.070 0.000 2.150 286 E HA -0.155 4.174 4.350 -0.034 0.000 0.193 286 E C 1.846 178.412 176.600 -0.056 0.000 0.985 286 E CA 0.741 57.108 56.400 -0.056 0.000 0.814 286 E CB 0.105 29.771 29.700 -0.056 0.000 0.752 286 E HN 0.300 nan 8.360 nan 0.000 0.466 287 L N 0.329 121.511 121.223 -0.069 0.000 2.095 287 L HA -0.139 4.180 4.340 -0.034 0.000 0.204 287 L C 2.732 179.571 176.870 -0.053 0.000 1.080 287 L CA 0.927 55.728 54.840 -0.064 0.000 0.759 287 L CB -0.269 41.746 42.059 -0.074 0.000 0.914 287 L HN 0.203 nan 8.230 nan 0.000 0.439 288 Q N 0.978 120.747 119.800 -0.052 0.000 2.061 288 Q HA -0.247 4.072 4.340 -0.034 0.000 0.204 288 Q C 1.973 177.953 176.000 -0.033 0.000 0.984 288 Q CA 1.898 57.677 55.803 -0.040 0.000 0.846 288 Q CB -0.065 28.650 28.738 -0.039 0.000 0.902 288 Q HN 0.275 nan 8.270 nan 0.000 0.421 289 K N -0.401 119.978 120.400 -0.034 0.000 2.365 289 K HA -0.083 4.217 4.320 -0.034 0.000 0.199 289 K C 1.318 177.902 176.600 -0.027 0.000 1.045 289 K CA 1.107 57.378 56.287 -0.028 0.000 0.962 289 K CB 0.044 32.528 32.500 -0.026 0.000 0.759 289 K HN 0.354 nan 8.250 nan 0.000 0.469 290 D N 0.895 121.276 120.400 -0.032 0.000 2.305 290 D HA -0.036 4.584 4.640 -0.034 0.000 0.206 290 D C 0.710 176.991 176.300 -0.031 0.000 0.974 290 D CA 0.678 54.660 54.000 -0.031 0.000 0.871 290 D CB 0.363 41.141 40.800 -0.037 0.000 0.947 290 D HN -0.049 nan 8.370 nan 0.000 0.516 291 K N 0.387 120.768 120.400 -0.032 0.000 2.596 291 K HA 0.036 4.335 4.320 -0.034 0.000 0.211 291 K C 0.941 177.527 176.600 -0.023 0.000 1.046 291 K CA 0.029 56.299 56.287 -0.029 0.000 1.202 291 K CB 0.362 32.843 32.500 -0.031 0.000 0.925 291 K HN 0.194 nan 8.250 nan 0.000 0.486 292 E N 0.664 120.851 120.200 -0.021 0.000 2.236 292 E HA -0.257 4.072 4.350 -0.034 0.000 0.205 292 E C 0.751 177.342 176.600 -0.015 0.000 1.028 292 E CA 1.749 58.138 56.400 -0.017 0.000 0.827 292 E CB -0.189 29.502 29.700 -0.016 0.000 0.735 292 E HN 0.280 nan 8.360 nan 0.000 0.470 293 A N -0.992 121.819 122.820 -0.015 0.000 2.331 293 A HA 0.479 4.778 4.320 -0.034 0.000 0.222 293 A C 1.237 178.813 177.584 -0.014 0.000 2.613 293 A CA -0.018 52.011 52.037 -0.013 0.000 1.791 293 A CB -0.532 18.461 19.000 -0.011 0.000 0.519 293 A HN 0.250 nan 8.150 nan 0.000 0.763 294 G N 0.007 108.797 108.800 -0.016 0.000 2.422 294 G HA2 0.258 4.198 3.960 -0.034 0.000 0.218 294 G HA3 0.258 4.198 3.960 -0.034 0.000 0.218 294 G C 0.817 175.708 174.900 -0.015 0.000 1.140 294 G CA 1.734 46.824 45.100 -0.017 0.000 0.775 294 G HN 0.699 nan 8.290 nan 0.000 0.545 295 K N -2.738 117.653 120.400 -0.015 0.000 7.157 295 K HA 0.012 4.312 4.320 -0.034 0.000 0.566 295 K C -0.093 176.500 176.600 -0.013 0.000 1.319 295 K CA 0.543 56.823 56.287 -0.013 0.000 1.019 295 K CB -0.982 31.510 32.500 -0.013 0.000 1.491 295 K HN -0.039 nan 8.250 nan 0.000 0.809 296 D N -0.656 119.736 120.400 -0.013 0.000 2.995 296 D HA 0.227 4.846 4.640 -0.034 0.000 0.289 296 D C -0.502 175.789 176.300 -0.015 0.000 1.116 296 D CA 0.535 54.527 54.000 -0.013 0.000 0.994 296 D CB 0.704 41.498 40.800 -0.011 0.000 1.209 296 D HN 0.041 nan 8.370 nan 0.000 0.458 297 V N 2.573 122.477 119.914 -0.015 0.000 2.334 297 V HA 0.381 4.481 4.120 -0.034 0.000 0.281 297 V C -0.713 175.368 176.094 -0.021 0.000 1.016 297 V CA -0.592 61.697 62.300 -0.018 0.000 0.832 297 V CB 0.985 32.799 31.823 -0.016 0.000 0.999 297 V HN 0.131 nan 8.190 nan 0.000 0.439 298 Q N 4.761 124.545 119.800 -0.027 0.000 2.347 298 Q HA 0.663 4.982 4.340 -0.034 0.000 0.271 298 Q C -0.716 175.259 176.000 -0.041 0.000 1.064 298 Q CA -1.124 54.661 55.803 -0.030 0.000 0.800 298 Q CB 2.432 31.152 28.738 -0.029 0.000 1.304 298 Q HN 0.782 nan 8.270 nan 0.000 0.438 299 R N 1.054 121.530 120.500 -0.040 0.000 2.267 299 R HA 0.454 4.773 4.340 -0.034 0.000 0.319 299 R C -0.467 175.795 176.300 -0.063 0.000 1.067 299 R CA -0.407 55.661 56.100 -0.053 0.000 0.936 299 R CB 1.303 31.579 30.300 -0.041 0.000 1.006 299 R HN 0.591 nan 8.270 nan 0.000 0.452 300 S N 1.343 116.986 115.700 -0.096 0.000 2.768 300 S HA 0.194 4.644 4.470 -0.034 0.000 0.300 300 S C 0.277 174.800 174.600 -0.129 0.000 1.122 300 S CA -0.801 57.337 58.200 -0.104 0.000 0.995 300 S CB 1.240 64.367 63.200 -0.122 0.000 1.195 300 S HN 0.806 nan 8.310 nan 0.000 0.547 301 E N -0.042 120.093 120.200 -0.107 0.000 2.601 301 E HA 0.310 4.640 4.350 -0.034 0.000 0.219 301 E C -0.500 176.056 176.600 -0.074 0.000 0.964 301 E CA -0.000 56.361 56.400 -0.065 0.000 1.050 301 E CB 0.540 30.245 29.700 0.008 0.000 1.068 301 E HN 0.490 nan 8.360 nan 0.000 0.496 302 I N 1.249 121.735 120.570 -0.140 0.000 2.440 302 I HA 0.173 4.322 4.170 -0.034 0.000 0.294 302 I C -0.690 175.284 176.117 -0.238 0.000 0.995 302 I CA -0.612 60.629 61.300 -0.098 0.000 1.306 302 I CB 0.613 38.567 38.000 -0.077 0.000 1.407 302 I HN -0.071 nan 8.210 nan 0.000 0.501 303 Y N 5.551 125.832 120.300 -0.032 0.000 2.402 303 Y HA 0.175 4.705 4.550 -0.034 0.000 0.332 303 Y C 0.602 176.484 175.900 -0.030 0.000 0.960 303 Y CA -0.560 57.532 58.100 -0.014 0.000 1.228 303 Y CB 1.530 39.995 38.460 0.007 0.000 1.120 303 Y HN 0.461 nan 8.280 nan 0.000 0.491 304 L N 1.960 123.227 121.223 0.074 0.000 2.261 304 L HA -0.093 4.227 4.340 -0.034 0.000 0.216 304 L C 0.326 177.269 176.870 0.122 0.000 1.114 304 L CA 1.895 56.774 54.840 0.065 0.000 0.777 304 L CB -0.274 41.821 42.059 0.060 0.000 0.910 304 L HN 0.640 nan 8.230 nan 0.000 0.440 305 Q N -1.306 118.585 119.800 0.153 0.000 2.495 305 Q HA 0.404 4.724 4.340 -0.034 0.000 0.287 305 Q C -0.900 175.188 176.000 0.146 0.000 1.078 305 Q CA -1.083 54.798 55.803 0.130 0.000 0.793 305 Q CB 2.049 30.859 28.738 0.120 0.000 1.459 305 Q HN -0.127 nan 8.270 nan 0.000 0.422 306 K N 0.097 120.556 120.400 0.099 0.000 2.258 306 K HA 0.665 4.965 4.320 -0.034 0.000 0.236 306 K C -0.586 176.096 176.600 0.137 0.000 1.008 306 K CA -0.694 55.657 56.287 0.107 0.000 0.869 306 K CB 1.126 33.682 32.500 0.093 0.000 1.171 306 K HN 0.749 nan 8.250 nan 0.000 0.447 307 A N 0.648 123.541 122.820 0.121 0.000 2.492 307 A HA 0.009 4.308 4.320 -0.034 0.000 0.236 307 A C 0.545 178.264 177.584 0.224 0.000 1.078 307 A CA 0.227 52.327 52.037 0.105 0.000 0.773 307 A CB -0.249 18.751 19.000 -0.000 0.000 1.023 307 A HN 0.613 nan 8.150 nan 0.000 0.504 308 Y N 1.293 121.595 120.300 0.004 0.000 2.139 308 Y HA -0.264 4.265 4.550 -0.035 0.000 0.282 308 Y C 3.035 178.942 175.900 0.011 0.000 1.179 308 Y CA 1.909 60.010 58.100 0.002 0.000 1.161 308 Y CB -1.413 37.045 38.460 -0.002 0.000 0.970 308 Y HN 0.798 nan 8.280 nan 0.000 0.511 309 S N -0.484 115.322 115.700 0.177 0.000 2.440 309 S HA -0.148 4.302 4.470 -0.034 0.000 0.238 309 S C 1.416 176.077 174.600 0.102 0.000 1.010 309 S CA 1.346 59.608 58.200 0.103 0.000 0.972 309 S CB -0.733 62.497 63.200 0.050 0.000 0.774 309 S HN 0.490 nan 8.310 nan 0.000 0.501 310 L N -0.046 121.250 121.223 0.121 0.000 3.014 310 L HA 0.496 4.815 4.340 -0.034 0.000 0.263 310 L C 1.821 178.771 176.870 0.133 0.000 1.207 310 L CA -0.124 54.801 54.840 0.141 0.000 1.017 310 L CB 0.253 42.401 42.059 0.148 0.000 1.360 310 L HN 0.284 nan 8.230 nan 0.000 0.560 311 R N -0.255 120.290 120.500 0.075 0.000 2.688 311 R HA 0.249 4.569 4.340 -0.034 0.000 0.236 311 R C 1.103 177.335 176.300 -0.113 0.000 0.981 311 R CA 0.735 56.797 56.100 -0.063 0.000 1.139 311 R CB 0.346 30.624 30.300 -0.036 0.000 1.677 311 R HN 0.073 nan 8.270 nan 0.000 0.554 312 A N 0.848 123.645 122.820 -0.038 0.000 2.460 312 A HA 0.294 4.593 4.320 -0.034 0.000 0.258 312 A C 1.244 178.840 177.584 0.019 0.000 1.300 312 A CA -0.321 51.677 52.037 -0.064 0.000 0.913 312 A CB -0.275 18.645 19.000 -0.133 0.000 1.031 312 A HN 0.263 nan 8.150 nan 0.000 0.512 313 I N 0.452 121.078 120.570 0.094 0.000 2.208 313 I HA -0.172 3.977 4.170 -0.034 0.000 0.245 313 I C -0.676 175.512 176.117 0.118 0.000 1.097 313 I CA 1.479 62.861 61.300 0.137 0.000 1.363 313 I CB -0.698 37.448 38.000 0.243 0.000 1.051 313 I HN 0.215 nan 8.210 nan 0.000 0.413 314 P HA -0.146 nan 4.420 nan 0.000 0.216 314 P C 1.438 178.778 177.300 0.067 0.000 1.153 314 P CA 1.216 64.372 63.100 0.092 0.000 0.848 314 P CB 0.056 31.807 31.700 0.085 0.000 0.787 315 Q N -0.674 119.163 119.800 0.062 0.000 2.016 315 Q HA -0.097 4.222 4.340 -0.034 0.000 0.200 315 Q C 2.187 178.168 176.000 -0.031 0.000 0.978 315 Q CA 1.398 57.207 55.803 0.009 0.000 0.833 315 Q CB -1.655 27.065 28.738 -0.031 0.000 0.895 315 Q HN 0.062 nan 8.270 nan 0.000 0.427 316 V N -0.267 119.636 119.914 -0.019 0.000 2.244 316 V HA -0.198 3.902 4.120 -0.034 0.000 0.244 316 V C 2.119 178.199 176.094 -0.024 0.000 1.042 316 V CA 1.578 63.865 62.300 -0.022 0.000 1.006 316 V CB -0.659 31.164 31.823 -0.000 0.000 0.641 316 V HN 0.174 nan 8.190 nan 0.000 0.446 317 V N 0.977 120.887 119.914 -0.006 0.000 2.759 317 V HA -0.121 3.978 4.120 -0.034 0.000 0.256 317 V C 2.513 178.583 176.094 -0.039 0.000 1.080 317 V CA 1.818 64.110 62.300 -0.014 0.000 1.101 317 V CB -1.292 30.535 31.823 0.006 0.000 0.698 317 V HN 0.623 nan 8.190 nan 0.000 0.477 318 G N -0.075 108.705 108.800 -0.032 0.000 2.404 318 G HA2 -0.168 3.771 3.960 -0.034 0.000 0.215 318 G HA3 -0.168 3.771 3.960 -0.034 0.000 0.215 318 G C 1.776 176.617 174.900 -0.099 0.000 1.174 318 G CA 0.905 45.978 45.100 -0.043 0.000 0.780 318 G HN 0.579 nan 8.290 nan 0.000 0.537 319 A N 0.128 122.882 122.820 -0.111 0.000 1.933 319 A HA 0.077 4.376 4.320 -0.034 0.000 0.218 319 A C 2.602 180.111 177.584 -0.125 0.000 1.175 319 A CA 1.786 53.738 52.037 -0.141 0.000 0.628 319 A CB -0.629 18.285 19.000 -0.143 0.000 0.814 319 A HN 0.251 nan 8.150 nan 0.000 0.444 320 V N -0.093 119.761 119.914 -0.100 0.000 2.287 320 V HA -0.313 3.787 4.120 -0.034 0.000 0.248 320 V C 2.654 178.655 176.094 -0.155 0.000 1.053 320 V CA 2.419 64.669 62.300 -0.084 0.000 1.027 320 V CB -0.805 30.988 31.823 -0.050 0.000 0.646 320 V HN 0.550 nan 8.190 nan 0.000 0.447 321 R N -0.268 120.086 120.500 -0.243 0.000 2.080 321 R HA -0.198 4.122 4.340 -0.034 0.000 0.236 321 R C 2.170 177.988 176.300 -0.803 0.000 1.137 321 R CA 1.998 57.767 56.100 -0.552 0.000 0.943 321 R CB -0.579 29.385 30.300 -0.561 0.000 0.846 321 R HN 0.495 nan 8.270 nan 0.000 0.431 322 D N -0.400 119.721 120.400 -0.465 0.000 2.133 322 D HA -0.165 4.454 4.640 -0.034 0.000 0.192 322 D C 1.835 178.089 176.300 -0.078 0.000 1.001 322 D CA 1.915 55.786 54.000 -0.215 0.000 0.844 322 D CB -0.389 40.362 40.800 -0.082 0.000 0.944 322 D HN 0.243 nan 8.370 nan 0.000 0.447 323 T N 0.790 115.304 114.554 -0.067 0.000 2.746 323 T HA -0.071 4.259 4.350 -0.034 0.000 0.267 323 T C 2.221 176.994 174.700 0.122 0.000 1.039 323 T CA 0.543 62.682 62.100 0.066 0.000 1.142 323 T CB -0.281 68.616 68.868 0.047 0.000 0.866 323 T HN 0.146 nan 8.240 nan 0.000 0.444 324 L N -0.283 120.938 121.223 -0.003 0.000 2.083 324 L HA -0.109 4.210 4.340 -0.034 0.000 0.209 324 L C 2.543 179.529 176.870 0.192 0.000 1.083 324 L CA 1.387 56.259 54.840 0.054 0.000 0.752 324 L CB -0.663 41.385 42.059 -0.018 0.000 0.899 324 L HN 0.274 nan 8.230 nan 0.000 0.433 325 Y N -1.204 119.175 120.300 0.131 0.000 2.242 325 Y HA -0.233 4.296 4.550 -0.034 0.000 0.291 325 Y C 2.707 178.718 175.900 0.184 0.000 1.137 325 Y CA 0.911 59.090 58.100 0.130 0.000 1.181 325 Y CB -1.228 37.295 38.460 0.105 0.000 0.989 325 Y HN 0.283 nan 8.280 nan 0.000 0.527 326 H N -0.162 119.069 119.070 0.268 0.000 2.353 326 H HA -0.113 4.422 4.556 -0.035 0.000 0.300 326 H C 2.145 177.627 175.328 0.256 0.000 1.090 326 H CA 1.221 57.413 56.048 0.240 0.000 1.327 326 H CB 0.170 30.053 29.762 0.201 0.000 1.383 326 H HN 0.297 nan 8.280 nan 0.000 0.508 327 A N 1.443 124.357 122.820 0.157 0.000 1.902 327 A HA -0.170 4.130 4.320 -0.034 0.000 0.217 327 A C 2.533 180.150 177.584 0.056 0.000 1.181 327 A CA 1.434 53.508 52.037 0.063 0.000 0.623 327 A CB -0.661 18.410 19.000 0.118 0.000 0.818 327 A HN 0.452 nan 8.150 nan 0.000 0.443 328 R N -1.261 119.314 120.500 0.124 0.000 2.096 328 R HA -0.191 4.128 4.340 -0.034 0.000 0.235 328 R C 2.224 178.580 176.300 0.093 0.000 1.127 328 R CA 1.612 57.777 56.100 0.107 0.000 0.968 328 R CB -0.507 29.881 30.300 0.147 0.000 0.861 328 R HN 0.802 nan 8.270 nan 0.000 0.440 329 H N 0.421 119.509 119.070 0.030 0.000 2.389 329 H HA -0.060 4.475 4.556 -0.035 0.000 0.299 329 H C 1.230 176.542 175.328 -0.028 0.000 1.081 329 H CA 1.275 57.330 56.048 0.012 0.000 1.345 329 H CB 0.393 30.184 29.762 0.047 0.000 1.393 329 H HN 0.062 nan 8.280 nan 0.000 0.520 330 K N 0.761 121.091 120.400 -0.116 0.000 2.062 330 K HA -0.044 4.256 4.320 -0.034 0.000 0.205 330 K C 2.602 179.125 176.600 -0.127 0.000 1.051 330 K CA 0.399 56.587 56.287 -0.164 0.000 0.941 330 K CB -0.344 32.070 32.500 -0.143 0.000 0.719 330 K HN 0.333 nan 8.250 nan 0.000 0.440 331 L N 0.424 121.601 121.223 -0.076 0.000 2.046 331 L HA -0.143 4.176 4.340 -0.034 0.000 0.208 331 L C 2.808 179.640 176.870 -0.063 0.000 1.077 331 L CA 1.160 55.970 54.840 -0.051 0.000 0.747 331 L CB -0.362 41.686 42.059 -0.019 0.000 0.896 331 L HN 0.172 nan 8.230 nan 0.000 0.432 332 R N 0.509 120.964 120.500 -0.075 0.000 2.083 332 R HA -0.177 4.142 4.340 -0.034 0.000 0.237 332 R C 2.314 178.553 176.300 -0.102 0.000 1.137 332 R CA 1.676 57.731 56.100 -0.075 0.000 0.951 332 R CB -0.253 30.007 30.300 -0.067 0.000 0.851 332 R HN 0.290 nan 8.270 nan 0.000 0.434 333 I N 0.539 121.008 120.570 -0.169 0.000 2.226 333 I HA -0.239 3.911 4.170 -0.034 0.000 0.245 333 I C 2.403 178.470 176.117 -0.084 0.000 1.100 333 I CA 1.043 62.257 61.300 -0.143 0.000 1.374 333 I CB -0.317 37.563 38.000 -0.199 0.000 1.057 333 I HN 0.221 nan 8.210 nan 0.000 0.413 334 E N 0.976 121.129 120.200 -0.077 0.000 2.051 334 E HA -0.170 4.159 4.350 -0.034 0.000 0.192 334 E C 2.377 178.955 176.600 -0.036 0.000 0.991 334 E CA 1.181 57.552 56.400 -0.047 0.000 0.799 334 E CB -0.297 29.378 29.700 -0.042 0.000 0.748 334 E HN 0.467 nan 8.360 nan 0.000 0.449 335 L N 1.130 122.330 121.223 -0.039 0.000 2.081 335 L HA -0.194 4.125 4.340 -0.034 0.000 0.212 335 L C 1.188 178.040 176.870 -0.031 0.000 1.080 335 L CA 1.004 55.824 54.840 -0.032 0.000 0.754 335 L CB -0.259 41.781 42.059 -0.031 0.000 0.893 335 L HN 0.028 nan 8.230 nan 0.000 0.433 336 N N 0.101 118.781 118.700 -0.034 0.000 2.558 336 N HA 0.082 4.802 4.740 -0.034 0.000 0.281 336 N C -0.239 175.257 175.510 -0.022 0.000 1.219 336 N CA 0.101 53.133 53.050 -0.031 0.000 0.942 336 N CB 0.521 38.989 38.487 -0.031 0.000 1.241 336 N HN 0.257 nan 8.380 nan 0.000 0.511 337 S N -1.255 114.434 115.700 -0.017 0.000 2.677 337 S HA 0.720 5.169 4.470 -0.034 0.000 0.304 337 S C -0.087 174.518 174.600 0.008 0.000 1.108 337 S CA -0.958 57.241 58.200 -0.001 0.000 0.944 337 S CB 2.306 65.501 63.200 -0.008 0.000 1.127 337 S HN 0.100 nan 8.310 nan 0.000 0.511 338 A N 2.082 124.921 122.820 0.031 0.000 3.015 338 A HA 0.337 4.637 4.320 -0.034 0.000 0.293 338 A C 0.096 177.704 177.584 0.040 0.000 1.572 338 A CA -0.870 51.189 52.037 0.036 0.000 1.274 338 A CB -1.104 17.938 19.000 0.070 0.000 1.156 338 A HN 0.684 nan 8.150 nan 0.000 0.562 339 N N 2.504 121.224 118.700 0.034 0.000 2.605 339 N HA 0.153 4.872 4.740 -0.034 0.000 0.282 339 N C -0.770 174.792 175.510 0.087 0.000 1.206 339 N CA 0.569 53.653 53.050 0.056 0.000 1.074 339 N CB 0.398 38.913 38.487 0.045 0.000 1.434 339 N HN 0.732 nan 8.380 nan 0.000 0.506 340 D N 0.604 121.072 120.400 0.113 0.000 2.755 340 D HA 0.376 4.996 4.640 -0.034 0.000 0.277 340 D C -1.754 174.659 176.300 0.189 0.000 1.261 340 D CA -0.571 53.516 54.000 0.145 0.000 0.759 340 D CB 1.158 42.003 40.800 0.075 0.000 1.279 340 D HN 0.264 nan 8.370 nan 0.000 0.420 341 N N 0.229 119.061 118.700 0.221 0.000 2.647 341 N HA 0.418 5.137 4.740 -0.034 0.000 0.259 341 N C -2.982 172.658 175.510 0.217 0.000 1.098 341 N CA -0.924 52.258 53.050 0.221 0.000 0.984 341 N CB 2.699 41.380 38.487 0.324 0.000 1.683 341 N HN 0.113 nan 8.380 nan 0.000 0.501 342 P HA 0.337 nan 4.420 nan 0.000 0.277 342 P C -0.890 176.443 177.300 0.054 0.000 1.271 342 P CA -0.406 62.654 63.100 -0.065 0.000 0.795 342 P CB 1.309 32.743 31.700 -0.444 0.000 1.101 343 L N 0.091 121.418 121.223 0.174 0.000 2.342 343 L HA 0.514 4.834 4.340 -0.034 0.000 0.271 343 L C -0.001 176.943 176.870 0.122 0.000 1.008 343 L CA -0.981 53.925 54.840 0.109 0.000 0.818 343 L CB 1.427 43.546 42.059 0.099 0.000 1.296 343 L HN 0.297 nan 8.230 nan 0.000 0.427 344 F N 1.782 121.596 119.950 -0.227 0.000 2.443 344 F HA 0.686 5.192 4.527 -0.035 0.000 0.335 344 F C -0.997 174.568 175.800 -0.391 0.000 1.104 344 F CA -0.612 57.309 58.000 -0.131 0.000 1.013 344 F CB 1.047 39.988 39.000 -0.099 0.000 1.136 344 F HN 0.111 nan 8.300 nan 0.000 0.470 345 F N 2.070 121.465 119.950 -0.926 0.000 2.664 345 F HA 0.405 4.912 4.527 -0.034 0.000 0.329 345 F C -0.547 174.583 175.800 -1.117 0.000 1.090 345 F CA -1.017 56.548 58.000 -0.725 0.000 0.978 345 F CB 1.446 40.182 39.000 -0.441 0.000 1.378 345 F HN 0.388 nan 8.300 nan 0.000 0.495 346 E N -0.149 119.860 120.200 -0.319 0.000 2.175 346 E HA 0.477 4.806 4.350 -0.034 0.000 0.278 346 E C 0.382 176.932 176.600 -0.083 0.000 0.969 346 E CA 0.096 56.366 56.400 -0.217 0.000 0.796 346 E CB 1.237 30.932 29.700 -0.008 0.000 1.104 346 E HN 0.833 nan 8.360 nan 0.000 0.395 347 G N 3.776 112.565 108.800 -0.018 0.000 2.198 347 G HA2 -0.292 3.647 3.960 -0.034 0.000 0.260 347 G HA3 -0.292 3.647 3.960 -0.034 0.000 0.260 347 G C -0.230 174.668 174.900 -0.004 0.000 1.025 347 G CA 0.745 45.855 45.100 0.017 0.000 0.769 347 G HN 0.471 nan 8.290 nan 0.000 0.507 348 K N -1.027 119.364 120.400 -0.016 0.000 2.495 348 K HA 0.527 4.827 4.320 -0.034 0.000 0.268 348 K C -0.267 176.378 176.600 0.074 0.000 1.008 348 K CA -1.082 55.204 56.287 -0.001 0.000 0.882 348 K CB 1.702 34.167 32.500 -0.058 0.000 1.443 348 K HN 0.090 nan 8.250 nan 0.000 0.447 349 E N 1.269 121.526 120.200 0.094 0.000 2.374 349 E HA 0.127 4.457 4.350 -0.034 0.000 0.260 349 E C -0.289 176.464 176.600 0.254 0.000 1.101 349 E CA -0.427 56.065 56.400 0.154 0.000 0.907 349 E CB 0.523 30.287 29.700 0.107 0.000 1.014 349 E HN 0.275 nan 8.360 nan 0.000 0.427 350 I N 3.700 124.471 120.570 0.334 0.000 2.683 350 I HA -0.061 4.088 4.170 -0.034 0.000 0.286 350 I C 0.443 176.859 176.117 0.499 0.000 1.175 350 I CA 0.289 61.861 61.300 0.455 0.000 1.429 350 I CB -0.779 37.541 38.000 0.533 0.000 1.371 350 I HN 0.506 nan 8.210 nan 0.000 0.569 351 F N 7.290 127.436 119.950 0.326 0.000 2.472 351 F HA 0.211 4.717 4.527 -0.035 0.000 0.364 351 F C 0.048 175.971 175.800 0.204 0.000 1.090 351 F CA -0.192 57.965 58.000 0.261 0.000 1.188 351 F CB 0.089 39.269 39.000 0.299 0.000 1.105 351 F HN 0.355 nan 8.300 nan 0.000 0.536 352 H N 4.894 123.604 119.070 -0.600 0.000 2.725 352 H HA 0.531 5.066 4.556 -0.034 0.000 0.283 352 H C 0.404 175.246 175.328 -0.810 0.000 1.110 352 H CA -0.157 55.606 56.048 -0.476 0.000 1.289 352 H CB 0.815 30.457 29.762 -0.200 0.000 1.400 352 H HN 0.789 nan 8.280 nan 0.000 0.493 353 G N 0.665 108.987 108.800 -0.796 0.000 3.291 353 G HA2 0.596 4.535 3.960 -0.034 0.000 0.173 353 G HA3 0.596 4.535 3.960 -0.034 0.000 0.173 353 G C -0.826 173.888 174.900 -0.310 0.000 1.099 353 G CA -0.228 44.533 45.100 -0.565 0.000 0.794 353 G HN 0.504 nan 8.290 nan 0.000 0.651 354 A N -0.084 122.506 122.820 -0.383 0.000 3.292 354 A HA 0.424 4.723 4.320 -0.034 0.000 0.231 354 A C 0.336 177.368 177.584 -0.920 0.000 0.952 354 A CA -0.362 51.017 52.037 -1.097 0.000 1.044 354 A CB -0.172 18.426 19.000 -0.669 0.000 1.236 354 A HN 0.279 nan 8.150 nan 0.000 0.525 355 N N 0.286 118.695 118.700 -0.485 0.000 2.449 355 N HA 0.016 4.735 4.740 -0.034 0.000 0.191 355 N C 0.850 176.282 175.510 -0.130 0.000 1.161 355 N CA 0.689 53.622 53.050 -0.195 0.000 0.863 355 N CB -0.207 38.279 38.487 -0.003 0.000 0.980 355 N HN 0.766 nan 8.380 nan 0.000 0.458 356 F N -0.986 119.022 119.950 0.097 0.000 2.743 356 F HA 0.215 4.721 4.527 -0.035 0.000 0.297 356 F C 0.975 176.802 175.800 0.044 0.000 1.131 356 F CA -0.402 57.632 58.000 0.056 0.000 1.426 356 F CB -1.025 38.000 39.000 0.042 0.000 1.116 356 F HN -0.030 nan 8.300 nan 0.000 0.583 357 H N 2.138 121.280 119.070 0.121 0.000 3.086 357 H HA 0.231 4.767 4.556 -0.033 0.000 0.265 357 H C 1.270 176.613 175.328 0.025 0.000 1.092 357 H CA 0.148 56.284 56.048 0.146 0.000 1.487 357 H CB 1.136 30.899 29.762 0.001 0.000 1.514 357 H HN 0.391 nan 8.280 nan 0.000 0.497 358 G N 3.839 112.689 108.800 0.083 0.000 3.155 358 G HA2 -0.162 3.778 3.960 -0.034 0.000 0.213 358 G HA3 -0.162 3.778 3.960 -0.034 0.000 0.213 358 G C 1.374 176.282 174.900 0.014 0.000 1.196 358 G CA -0.099 45.026 45.100 0.041 0.000 0.846 358 G HN 0.524 nan 8.290 nan 0.000 0.516 359 Q N 1.528 121.398 119.800 0.118 0.000 2.096 359 Q HA -0.130 4.189 4.340 -0.034 0.000 0.208 359 Q C 0.410 176.201 176.000 -0.349 0.000 0.993 359 Q CA 2.412 58.098 55.803 -0.195 0.000 0.862 359 Q CB -0.646 27.921 28.738 -0.284 0.000 0.915 359 Q HN 0.422 nan 8.270 nan 0.000 0.416 360 P HA -0.184 nan 4.420 nan 0.000 0.216 360 P C 0.927 178.196 177.300 -0.052 0.000 1.153 360 P CA 1.329 64.387 63.100 -0.070 0.000 0.858 360 P CB -0.081 31.604 31.700 -0.024 0.000 0.789 361 I N -0.313 120.219 120.570 -0.063 0.000 2.584 361 I HA -0.029 4.121 4.170 -0.034 0.000 0.255 361 I C 2.628 178.701 176.117 -0.074 0.000 1.145 361 I CA 0.656 61.923 61.300 -0.055 0.000 1.462 361 I CB -1.948 36.029 38.000 -0.038 0.000 1.102 361 I HN -0.092 nan 8.210 nan 0.000 0.433 362 A N 1.153 123.914 122.820 -0.098 0.000 1.908 362 A HA -0.221 4.079 4.320 -0.034 0.000 0.218 362 A C 2.124 179.667 177.584 -0.068 0.000 1.181 362 A CA 1.586 53.569 52.037 -0.090 0.000 0.627 362 A CB -0.827 18.096 19.000 -0.128 0.000 0.818 362 A HN 0.260 nan 8.150 nan 0.000 0.445 363 F N -0.011 119.789 119.950 -0.250 0.000 2.146 363 F HA -0.025 4.480 4.527 -0.036 0.000 0.298 363 F C 2.871 177.974 175.800 -1.161 0.000 1.096 363 F CA 0.229 57.865 58.000 -0.607 0.000 1.275 363 F CB -1.263 37.531 39.000 -0.343 0.000 1.008 363 F HN 0.286 nan 8.300 nan 0.000 0.480 364 A N -0.081 122.518 122.820 -0.367 0.000 1.883 364 A HA -0.229 4.070 4.320 -0.034 0.000 0.217 364 A C 2.199 179.686 177.584 -0.162 0.000 1.186 364 A CA 1.970 53.868 52.037 -0.231 0.000 0.624 364 A CB -0.641 18.323 19.000 -0.060 0.000 0.822 364 A HN 0.191 nan 8.150 nan 0.000 0.444 365 M N -0.186 119.344 119.600 -0.117 0.000 2.229 365 M HA -0.068 4.391 4.480 -0.034 0.000 0.264 365 M C 1.307 177.596 176.300 -0.017 0.000 1.063 365 M CA 1.045 56.325 55.300 -0.032 0.000 1.114 365 M CB -1.503 31.090 32.600 -0.011 0.000 1.387 365 M HN 0.321 nan 8.290 nan 0.000 0.420 366 D N -0.068 120.276 120.400 -0.093 0.000 2.144 366 D HA -0.085 4.535 4.640 -0.034 0.000 0.200 366 D C 1.874 178.277 176.300 0.171 0.000 0.978 366 D CA 1.017 55.027 54.000 0.016 0.000 0.833 366 D CB -0.105 40.709 40.800 0.023 0.000 0.961 366 D HN 0.221 nan 8.370 nan 0.000 0.470 367 F N 0.637 120.644 119.950 0.095 0.000 2.186 367 F HA -0.091 4.416 4.527 -0.034 0.000 0.299 367 F C 2.496 178.332 175.800 0.060 0.000 1.090 367 F CA 0.102 58.145 58.000 0.071 0.000 1.307 367 F CB -1.294 37.765 39.000 0.098 0.000 1.019 367 F HN -0.140 nan 8.300 nan 0.000 0.489 368 V N -0.330 119.722 119.914 0.231 0.000 2.343 368 V HA -0.287 3.813 4.120 -0.034 0.000 0.247 368 V C 2.311 178.472 176.094 0.112 0.000 1.051 368 V CA 2.293 64.680 62.300 0.144 0.000 1.036 368 V CB -1.306 30.579 31.823 0.102 0.000 0.654 368 V HN 0.340 nan 8.190 nan 0.000 0.451 369 T N 0.504 115.123 114.554 0.107 0.000 2.635 369 T HA -0.200 4.129 4.350 -0.034 0.000 0.267 369 T C 1.806 176.557 174.700 0.085 0.000 1.040 369 T CA 2.108 64.260 62.100 0.087 0.000 1.156 369 T CB -0.320 68.599 68.868 0.084 0.000 0.863 369 T HN 0.349 nan 8.240 nan 0.000 0.430 370 I N 1.191 121.827 120.570 0.109 0.000 2.113 370 I HA -0.190 3.959 4.170 -0.034 0.000 0.238 370 I C 2.975 179.128 176.117 0.061 0.000 1.070 370 I CA 1.247 62.598 61.300 0.085 0.000 1.332 370 I CB -0.583 37.477 38.000 0.101 0.000 1.044 370 I HN 0.198 nan 8.210 nan 0.000 0.402 371 A N 0.915 123.776 122.820 0.068 0.000 1.908 371 A HA -0.193 4.107 4.320 -0.034 0.000 0.218 371 A C 2.314 179.918 177.584 0.034 0.000 1.181 371 A CA 1.613 53.673 52.037 0.038 0.000 0.627 371 A CB -0.957 18.068 19.000 0.042 0.000 0.818 371 A HN 0.412 nan 8.150 nan 0.000 0.445 372 L N -0.983 120.268 121.223 0.047 0.000 2.093 372 L HA -0.135 4.185 4.340 -0.034 0.000 0.208 372 L C 2.749 179.642 176.870 0.039 0.000 1.085 372 L CA 1.626 56.491 54.840 0.043 0.000 0.755 372 L CB -0.915 41.174 42.059 0.050 0.000 0.904 372 L HN 0.357 nan 8.230 nan 0.000 0.435 373 T N -1.011 113.568 114.554 0.042 0.000 2.720 373 T HA -0.283 4.047 4.350 -0.034 0.000 0.268 373 T C 1.833 176.552 174.700 0.031 0.000 1.037 373 T CA 1.612 63.734 62.100 0.038 0.000 1.144 373 T CB -0.118 68.774 68.868 0.040 0.000 0.864 373 T HN 0.208 nan 8.240 nan 0.000 0.444 374 Q N 0.493 120.309 119.800 0.026 0.000 2.172 374 Q HA 0.059 4.379 4.340 -0.034 0.000 0.200 374 Q C 2.041 178.052 176.000 0.019 0.000 0.964 374 Q CA 0.887 56.702 55.803 0.019 0.000 0.855 374 Q CB -0.608 28.136 28.738 0.010 0.000 0.918 374 Q HN 0.416 nan 8.270 nan 0.000 0.444 375 L N -0.401 120.834 121.223 0.020 0.000 2.131 375 L HA 0.015 4.335 4.340 -0.034 0.000 0.210 375 L C 1.868 178.752 176.870 0.024 0.000 1.092 375 L CA 2.256 57.108 54.840 0.020 0.000 0.759 375 L CB -0.795 41.277 42.059 0.022 0.000 0.903 375 L HN 0.317 nan 8.230 nan 0.000 0.435 376 G N -1.977 106.840 108.800 0.029 0.000 2.494 376 G HA2 -0.077 3.862 3.960 -0.034 0.000 0.216 376 G HA3 -0.077 3.862 3.960 -0.034 0.000 0.216 376 G C 1.492 176.409 174.900 0.028 0.000 1.140 376 G CA 0.654 45.773 45.100 0.031 0.000 0.801 376 G HN 0.273 nan 8.290 nan 0.000 0.536 377 V N 0.737 120.667 119.914 0.027 0.000 2.343 377 V HA -0.127 3.972 4.120 -0.034 0.000 0.247 377 V C 2.668 178.777 176.094 0.025 0.000 1.051 377 V CA 1.626 63.942 62.300 0.027 0.000 1.036 377 V CB -0.305 31.533 31.823 0.026 0.000 0.654 377 V HN 0.359 nan 8.190 nan 0.000 0.451 378 L N 0.732 121.970 121.223 0.025 0.000 2.017 378 L HA -0.067 4.252 4.340 -0.034 0.000 0.208 378 L C 2.464 179.344 176.870 0.016 0.000 1.073 378 L CA 2.388 57.243 54.840 0.025 0.000 0.745 378 L CB -1.025 41.050 42.059 0.026 0.000 0.894 378 L HN 0.228 nan 8.230 nan 0.000 0.432 379 A N -0.427 122.400 122.820 0.012 0.000 1.883 379 A HA -0.285 4.015 4.320 -0.034 0.000 0.217 379 A C 2.214 179.800 177.584 0.004 0.000 1.186 379 A CA 1.862 53.900 52.037 0.001 0.000 0.624 379 A CB -0.854 18.151 19.000 0.008 0.000 0.822 379 A HN 0.618 nan 8.150 nan 0.000 0.444 380 E N 0.023 120.233 120.200 0.016 0.000 2.049 380 E HA -0.234 4.095 4.350 -0.034 0.000 0.198 380 E C 2.051 178.658 176.600 0.012 0.000 1.007 380 E CA 1.739 58.152 56.400 0.022 0.000 0.809 380 E CB -0.265 29.453 29.700 0.031 0.000 0.749 380 E HN 0.389 nan 8.360 nan 0.000 0.450 381 R N 0.172 120.677 120.500 0.009 0.000 2.148 381 R HA -0.055 4.264 4.340 -0.034 0.000 0.227 381 R C 2.387 178.675 176.300 -0.019 0.000 1.103 381 R CA 1.549 57.647 56.100 -0.002 0.000 0.983 381 R CB -0.425 29.878 30.300 0.005 0.000 0.874 381 R HN 0.526 nan 8.270 nan 0.000 0.451 382 Q N -0.162 119.628 119.800 -0.017 0.000 2.172 382 Q HA 0.022 4.341 4.340 -0.034 0.000 0.200 382 Q C 2.161 178.131 176.000 -0.051 0.000 0.964 382 Q CA 0.816 56.600 55.803 -0.032 0.000 0.855 382 Q CB 0.019 28.739 28.738 -0.029 0.000 0.918 382 Q HN 0.311 nan 8.270 nan 0.000 0.444 383 I N 1.033 121.581 120.570 -0.035 0.000 2.113 383 I HA -0.287 3.862 4.170 -0.034 0.000 0.238 383 I C 2.195 178.282 176.117 -0.049 0.000 1.070 383 I CA 1.248 62.528 61.300 -0.032 0.000 1.332 383 I CB -0.373 37.631 38.000 0.007 0.000 1.044 383 I HN 0.249 nan 8.210 nan 0.000 0.402 384 N N 1.011 119.690 118.700 -0.035 0.000 2.137 384 N HA -0.273 4.446 4.740 -0.034 0.000 0.190 384 N C 1.899 177.340 175.510 -0.116 0.000 1.017 384 N CA 1.514 54.533 53.050 -0.050 0.000 0.859 384 N CB -0.093 38.380 38.487 -0.023 0.000 1.002 384 N HN 0.038 nan 8.380 nan 0.000 0.428 385 R N 0.088 120.520 120.500 -0.114 0.000 2.094 385 R HA -0.102 4.217 4.340 -0.034 0.000 0.239 385 R C 2.012 178.182 176.300 -0.216 0.000 1.137 385 R CA 2.004 58.005 56.100 -0.164 0.000 0.943 385 R CB -0.784 29.440 30.300 -0.126 0.000 0.850 385 R HN 0.329 nan 8.270 nan 0.000 0.433 386 V N -1.599 118.207 119.914 -0.179 0.000 2.871 386 V HA 0.013 4.112 4.120 -0.034 0.000 0.256 386 V C 1.973 177.921 176.094 -0.243 0.000 1.082 386 V CA 1.238 63.419 62.300 -0.198 0.000 1.105 386 V CB -0.534 31.191 31.823 -0.163 0.000 0.713 386 V HN 0.202 nan 8.190 nan 0.000 0.473 387 L N 0.262 121.333 121.223 -0.254 0.000 2.341 387 L HA 0.193 4.512 4.340 -0.034 0.000 0.214 387 L C 1.132 177.586 176.870 -0.693 0.000 1.115 387 L CA 0.483 55.101 54.840 -0.370 0.000 0.820 387 L CB -0.390 41.554 42.059 -0.193 0.000 0.944 387 L HN 0.370 nan 8.230 nan 0.000 0.452 388 N N 1.362 119.764 118.700 -0.496 0.000 2.420 388 N HA 0.031 4.751 4.740 -0.034 0.000 0.249 388 N C 1.231 176.493 175.510 -0.413 0.000 1.033 388 N CA -0.161 52.592 53.050 -0.495 0.000 0.944 388 N CB 1.097 39.414 38.487 -0.283 0.000 1.113 388 N HN 0.226 nan 8.380 nan 0.000 0.502 389 R N 3.096 123.315 120.500 -0.467 0.000 2.170 389 R HA -0.147 4.172 4.340 -0.034 0.000 0.242 389 R C 0.475 176.630 176.300 -0.241 0.000 1.145 389 R CA 1.516 57.410 56.100 -0.344 0.000 0.984 389 R CB -0.540 29.556 30.300 -0.339 0.000 0.869 389 R HN 0.649 nan 8.270 nan 0.000 0.455 390 H N -0.093 118.877 119.070 -0.167 0.000 2.551 390 H HA 0.166 4.702 4.556 -0.034 0.000 0.266 390 H C 1.170 176.373 175.328 -0.208 0.000 0.977 390 H CA 0.683 56.651 56.048 -0.133 0.000 1.163 390 H CB 0.311 30.017 29.762 -0.094 0.000 1.381 390 H HN 0.199 nan 8.280 nan 0.000 0.581 391 L N -0.988 120.108 121.223 -0.211 0.000 3.128 391 L HA 0.114 4.433 4.340 -0.034 0.000 0.277 391 L C 1.784 178.222 176.870 -0.720 0.000 1.171 391 L CA 0.158 54.739 54.840 -0.431 0.000 1.008 391 L CB 0.388 42.250 42.059 -0.328 0.000 1.442 391 L HN 0.084 nan 8.230 nan 0.000 0.584 392 S N -1.039 114.372 115.700 -0.482 0.000 2.607 392 S HA -0.088 4.362 4.470 -0.034 0.000 0.224 392 S C 0.384 174.804 174.600 -0.300 0.000 0.969 392 S CA -0.031 57.922 58.200 -0.412 0.000 0.927 392 S CB -0.486 62.562 63.200 -0.253 0.000 0.772 392 S HN 0.422 nan 8.310 nan 0.000 0.533 393 Y N 0.502 120.761 120.300 -0.068 0.000 3.380 393 Y HA -0.046 4.483 4.550 -0.034 0.000 0.211 393 Y C 1.333 177.219 175.900 -0.024 0.000 1.394 393 Y CA 0.280 58.358 58.100 -0.037 0.000 1.479 393 Y CB -2.155 36.282 38.460 -0.038 0.000 1.483 393 Y HN 0.661 nan 8.280 nan 0.000 0.566 394 G N -1.465 107.377 108.800 0.069 0.000 2.176 394 G HA2 -0.263 3.677 3.960 -0.034 0.000 0.232 394 G HA3 -0.263 3.677 3.960 -0.034 0.000 0.232 394 G C 0.090 174.991 174.900 0.002 0.000 0.986 394 G CA -0.173 44.953 45.100 0.043 0.000 0.643 394 G HN 0.491 nan 8.290 nan 0.000 0.522 395 L N 2.333 123.536 121.223 -0.034 0.000 2.395 395 L HA 0.421 4.740 4.340 -0.034 0.000 0.269 395 L C -1.122 175.705 176.870 -0.073 0.000 1.133 395 L CA -1.986 52.820 54.840 -0.056 0.000 0.812 395 L CB 0.723 42.730 42.059 -0.088 0.000 1.125 395 L HN 0.003 nan 8.230 nan 0.000 0.452 396 P HA 0.005 nan 4.420 nan 0.000 0.269 396 P C -0.821 176.440 177.300 -0.065 0.000 1.209 396 P CA -0.439 62.639 63.100 -0.037 0.000 0.776 396 P CB 0.341 32.038 31.700 -0.006 0.000 0.876 397 E N 2.618 122.786 120.200 -0.053 0.000 2.568 397 E HA -0.145 4.185 4.350 -0.034 0.000 0.262 397 E C -0.145 176.490 176.600 0.058 0.000 0.961 397 E CA -0.100 56.246 56.400 -0.090 0.000 0.945 397 E CB -0.368 29.371 29.700 0.065 0.000 0.924 397 E HN 0.423 nan 8.360 nan 0.000 0.467 398 F N 1.076 120.995 119.950 -0.052 0.000 3.056 398 F HA -0.264 4.242 4.527 -0.035 0.000 0.266 398 F C 0.944 176.735 175.800 -0.015 0.000 0.957 398 F CA 0.889 58.876 58.000 -0.022 0.000 0.894 398 F CB -1.826 37.182 39.000 0.013 0.000 0.832 398 F HN 0.559 nan 8.300 nan 0.000 0.745 399 L N -2.481 118.739 121.223 -0.005 0.000 3.781 399 L HA -0.288 4.032 4.340 -0.034 0.000 0.426 399 L C 0.198 177.099 176.870 0.052 0.000 1.197 399 L CA 0.025 54.829 54.840 -0.061 0.000 0.907 399 L CB -1.931 39.950 42.059 -0.297 0.000 1.812 399 L HN 0.115 nan 8.230 nan 0.000 0.956 400 V N 0.572 120.549 119.914 0.105 0.000 2.488 400 V HA 0.076 4.175 4.120 -0.034 0.000 0.277 400 V C 1.542 177.667 176.094 0.052 0.000 1.046 400 V CA 0.889 63.255 62.300 0.111 0.000 0.986 400 V CB 1.681 33.589 31.823 0.142 0.000 0.989 400 V HN 0.575 nan 8.190 nan 0.000 0.475 401 S N 3.207 118.922 115.700 0.025 0.000 2.478 401 S HA 0.137 4.586 4.470 -0.034 0.000 0.222 401 S C 1.079 175.677 174.600 -0.004 0.000 1.008 401 S CA 0.353 58.556 58.200 0.006 0.000 0.928 401 S CB 0.269 63.470 63.200 0.001 0.000 0.781 401 S HN 0.814 nan 8.310 nan 0.000 0.518 402 G N 0.991 109.778 108.800 -0.023 0.000 3.392 402 G HA2 0.344 4.283 3.960 -0.034 0.000 0.188 402 G HA3 0.344 4.283 3.960 -0.034 0.000 0.188 402 G C -1.057 173.886 174.900 0.071 0.000 1.485 402 G CA -0.481 44.619 45.100 -0.000 0.000 0.943 402 G HN 0.292 nan 8.290 nan 0.000 0.627 403 D N 2.682 123.171 120.400 0.149 0.000 2.411 403 D HA 0.268 4.887 4.640 -0.034 0.000 0.225 403 D C -1.920 174.477 176.300 0.162 0.000 1.156 403 D CA -0.828 53.258 54.000 0.144 0.000 0.874 403 D CB 1.497 42.377 40.800 0.134 0.000 1.034 403 D HN 0.043 nan 8.370 nan 0.000 0.502 404 P HA -0.024 nan 4.420 nan 0.000 0.271 404 P C 1.025 178.369 177.300 0.073 0.000 1.238 404 P CA 0.306 63.473 63.100 0.111 0.000 0.794 404 P CB 1.019 32.779 31.700 0.100 0.000 0.959 405 G N 0.677 109.505 108.800 0.046 0.000 4.655 405 G HA2 -0.383 3.556 3.960 -0.034 0.000 0.220 405 G HA3 -0.383 3.556 3.960 -0.034 0.000 0.220 405 G C 0.867 175.752 174.900 -0.026 0.000 1.403 405 G CA 0.487 45.591 45.100 0.006 0.000 0.931 405 G HN 0.595 nan 8.290 nan 0.000 0.654 406 L N 1.899 123.101 121.223 -0.034 0.000 2.191 406 L HA 0.325 4.644 4.340 -0.034 0.000 0.212 406 L C 0.994 177.686 176.870 -0.297 0.000 1.103 406 L CA 2.080 56.831 54.840 -0.147 0.000 0.769 406 L CB -0.326 41.653 42.059 -0.133 0.000 0.908 406 L HN 0.612 nan 8.230 nan 0.000 0.438 407 H N -2.246 116.830 119.070 0.009 0.000 2.600 407 H HA 0.385 4.920 4.556 -0.035 0.000 0.357 407 H C 0.740 176.070 175.328 0.003 0.000 1.106 407 H CA -0.087 55.968 56.048 0.012 0.000 1.193 407 H CB 1.707 31.488 29.762 0.031 0.000 1.594 407 H HN -0.170 nan 8.280 nan 0.000 0.526 408 S N 1.802 117.563 115.700 0.102 0.000 2.517 408 S HA 0.154 4.603 4.470 -0.034 0.000 0.214 408 S C 1.575 176.217 174.600 0.070 0.000 0.991 408 S CA 0.366 58.566 58.200 -0.000 0.000 0.906 408 S CB 0.241 63.390 63.200 -0.085 0.000 0.789 408 S HN 1.079 nan 8.310 nan 0.000 0.513 409 G N 2.095 110.983 108.800 0.146 0.000 2.596 409 G HA2 -0.349 3.591 3.960 -0.034 0.000 0.304 409 G HA3 -0.349 3.591 3.960 -0.034 0.000 0.304 409 G C 0.462 175.510 174.900 0.247 0.000 1.189 409 G CA 0.694 45.939 45.100 0.242 0.000 0.986 409 G HN 0.486 nan 8.290 nan 0.000 0.548 410 F N 3.131 123.109 119.950 0.046 0.000 2.765 410 F HA 0.410 4.917 4.527 -0.034 0.000 0.302 410 F C 2.735 178.503 175.800 -0.054 0.000 1.111 410 F CA 0.739 58.741 58.000 0.004 0.000 1.359 410 F CB 0.073 39.088 39.000 0.025 0.000 1.097 410 F HN 0.583 nan 8.300 nan 0.000 0.577 411 A N 0.850 123.698 122.820 0.047 0.000 1.881 411 A HA -0.273 4.026 4.320 -0.034 0.000 0.219 411 A C 2.541 179.800 177.584 -0.542 0.000 1.215 411 A CA 2.343 54.219 52.037 -0.269 0.000 0.648 411 A CB -1.493 17.184 19.000 -0.538 0.000 0.832 411 A HN 0.431 nan 8.150 nan 0.000 0.455 412 G N -1.317 107.234 108.800 -0.416 0.000 2.421 412 G HA2 0.111 4.050 3.960 -0.034 0.000 0.217 412 G HA3 0.111 4.050 3.960 -0.034 0.000 0.217 412 G C 1.633 176.261 174.900 -0.454 0.000 1.143 412 G CA 1.229 46.044 45.100 -0.474 0.000 0.784 412 G HN 0.951 nan 8.290 nan 0.000 0.541 413 A N 0.221 122.851 122.820 -0.318 0.000 2.125 413 A HA -0.036 4.263 4.320 -0.034 0.000 0.219 413 A C 2.179 179.676 177.584 -0.146 0.000 1.156 413 A CA 1.840 53.743 52.037 -0.224 0.000 0.671 413 A CB -0.324 18.501 19.000 -0.292 0.000 0.794 413 A HN 0.508 nan 8.150 nan 0.000 0.459 414 Q N -1.472 118.189 119.800 -0.232 0.000 2.123 414 Q HA -0.185 4.134 4.340 -0.034 0.000 0.199 414 Q C 1.562 177.550 176.000 -0.021 0.000 0.966 414 Q CA 1.415 57.152 55.803 -0.110 0.000 0.845 414 Q CB -0.272 28.413 28.738 -0.089 0.000 0.907 414 Q HN 0.682 nan 8.270 nan 0.000 0.439 415 Y N 1.216 121.534 120.300 0.030 0.000 2.081 415 Y HA -0.172 4.356 4.550 -0.037 0.000 0.280 415 Y C -0.495 175.409 175.900 0.006 0.000 1.163 415 Y CA 1.159 59.266 58.100 0.013 0.000 1.135 415 Y CB -2.163 36.293 38.460 -0.006 0.000 0.970 415 Y HN 0.330 nan 8.280 nan 0.000 0.498 416 P HA -0.165 nan 4.420 nan 0.000 0.219 416 P C 1.238 178.578 177.300 0.067 0.000 1.146 416 P CA 2.209 65.355 63.100 0.077 0.000 0.808 416 P CB -0.096 31.623 31.700 0.032 0.000 0.779 417 A N -0.213 122.647 122.820 0.067 0.000 1.898 417 A HA -0.067 4.232 4.320 -0.034 0.000 0.214 417 A C 2.329 179.955 177.584 0.069 0.000 1.183 417 A CA 1.956 54.029 52.037 0.060 0.000 0.622 417 A CB -1.678 17.354 19.000 0.054 0.000 0.824 417 A HN 0.162 nan 8.150 nan 0.000 0.444 418 T N 0.312 114.923 114.554 0.095 0.000 2.821 418 T HA 0.044 4.374 4.350 -0.034 0.000 0.267 418 T C 2.182 176.926 174.700 0.073 0.000 1.046 418 T CA 1.347 63.503 62.100 0.093 0.000 1.139 418 T CB -0.335 68.616 68.868 0.139 0.000 0.871 418 T HN 0.546 nan 8.240 nan 0.000 0.454 419 A N 1.093 123.958 122.820 0.076 0.000 1.930 419 A HA 0.091 4.390 4.320 -0.034 0.000 0.217 419 A C 2.250 179.858 177.584 0.040 0.000 1.175 419 A CA 0.980 53.047 52.037 0.049 0.000 0.627 419 A CB -0.757 18.271 19.000 0.046 0.000 0.815 419 A HN 0.459 nan 8.150 nan 0.000 0.443 420 L N -0.639 120.610 121.223 0.044 0.000 2.141 420 L HA -0.133 4.186 4.340 -0.034 0.000 0.209 420 L C 2.445 179.336 176.870 0.036 0.000 1.094 420 L CA 0.717 55.579 54.840 0.038 0.000 0.763 420 L CB -0.307 41.775 42.059 0.039 0.000 0.908 420 L HN 0.248 nan 8.230 nan 0.000 0.437 421 V N -0.192 119.745 119.914 0.039 0.000 2.427 421 V HA -0.264 3.836 4.120 -0.034 0.000 0.248 421 V C 2.660 178.773 176.094 0.031 0.000 1.051 421 V CA 1.740 64.061 62.300 0.035 0.000 1.048 421 V CB -0.642 31.202 31.823 0.036 0.000 0.666 421 V HN 0.483 nan 8.190 nan 0.000 0.456 422 A N -0.443 122.395 122.820 0.030 0.000 1.898 422 A HA -0.240 4.059 4.320 -0.034 0.000 0.216 422 A C 2.243 179.840 177.584 0.023 0.000 1.181 422 A CA 1.854 53.905 52.037 0.024 0.000 0.620 422 A CB -0.440 18.572 19.000 0.020 0.000 0.819 422 A HN 0.607 nan 8.150 nan 0.000 0.442 423 E N 0.110 120.325 120.200 0.024 0.000 2.051 423 E HA -0.210 4.119 4.350 -0.034 0.000 0.192 423 E C 1.646 178.261 176.600 0.025 0.000 0.991 423 E CA 1.348 57.761 56.400 0.022 0.000 0.799 423 E CB -0.125 29.588 29.700 0.022 0.000 0.748 423 E HN 0.541 nan 8.360 nan 0.000 0.449 424 N N 0.498 119.215 118.700 0.028 0.000 2.289 424 N HA -0.132 4.587 4.740 -0.034 0.000 0.184 424 N C 1.510 177.039 175.510 0.032 0.000 1.016 424 N CA 0.835 53.904 53.050 0.032 0.000 0.872 424 N CB -0.174 38.334 38.487 0.035 0.000 0.973 424 N HN 0.175 nan 8.380 nan 0.000 0.433 425 R N -0.027 120.490 120.500 0.029 0.000 2.280 425 R HA 0.012 4.331 4.340 -0.034 0.000 0.207 425 R C 1.466 177.782 176.300 0.027 0.000 1.043 425 R CA 1.122 57.239 56.100 0.028 0.000 1.006 425 R CB -0.046 30.268 30.300 0.024 0.000 0.885 425 R HN 0.340 nan 8.270 nan 0.000 0.467 426 T N -2.175 112.394 114.554 0.025 0.000 3.107 426 T HA 0.218 4.548 4.350 -0.034 0.000 0.249 426 T C 0.741 175.456 174.700 0.026 0.000 1.096 426 T CA -0.019 62.094 62.100 0.023 0.000 1.012 426 T CB 0.029 68.908 68.868 0.018 0.000 0.977 426 T HN -0.021 nan 8.240 nan 0.000 0.527 427 I N 2.668 123.256 120.570 0.031 0.000 2.291 427 I HA 0.464 4.613 4.170 -0.034 0.000 0.292 427 I C 1.027 177.169 176.117 0.042 0.000 1.064 427 I CA -0.843 60.477 61.300 0.034 0.000 1.269 427 I CB 0.677 38.699 38.000 0.036 0.000 1.418 427 I HN 0.222 nan 8.210 nan 0.000 0.485 428 G N 6.703 115.529 108.800 0.042 0.000 2.477 428 G HA2 0.533 4.472 3.960 -0.034 0.000 0.304 428 G HA3 0.533 4.472 3.960 -0.034 0.000 0.304 428 G C -2.632 172.304 174.900 0.061 0.000 1.175 428 G CA -1.285 43.845 45.100 0.050 0.000 0.907 428 G HN 0.320 nan 8.290 nan 0.000 0.509 429 P HA 0.234 nan 4.420 nan 0.000 0.266 429 P C 0.323 177.673 177.300 0.084 0.000 1.195 429 P CA 0.244 63.399 63.100 0.092 0.000 0.768 429 P CB 1.381 33.151 31.700 0.116 0.000 0.838 430 A N 2.069 124.938 122.820 0.081 0.000 2.108 430 A HA -0.004 4.295 4.320 -0.034 0.000 0.206 430 A C 1.895 179.530 177.584 0.085 0.000 1.212 430 A CA 0.820 52.899 52.037 0.070 0.000 0.843 430 A CB -0.984 18.046 19.000 0.051 0.000 0.902 430 A HN 0.516 nan 8.150 nan 0.000 0.477 431 S N 0.466 116.234 115.700 0.114 0.000 2.493 431 S HA -0.138 4.311 4.470 -0.034 0.000 0.243 431 S C 1.465 176.177 174.600 0.187 0.000 0.991 431 S CA 1.798 60.084 58.200 0.142 0.000 0.957 431 S CB -0.990 62.356 63.200 0.244 0.000 0.756 431 S HN 0.751 nan 8.310 nan 0.000 0.521 432 T N -2.698 111.962 114.554 0.176 0.000 3.054 432 T HA 0.260 4.589 4.350 -0.034 0.000 0.255 432 T C 0.807 175.574 174.700 0.111 0.000 1.035 432 T CA -0.405 61.795 62.100 0.167 0.000 0.941 432 T CB 0.037 69.001 68.868 0.160 0.000 1.026 432 T HN 0.162 nan 8.240 nan 0.000 0.533 433 Q N 2.114 121.968 119.800 0.089 0.000 2.297 433 Q HA 0.337 4.656 4.340 -0.034 0.000 0.265 433 Q C 0.234 176.268 176.000 0.057 0.000 0.904 433 Q CA -0.066 55.776 55.803 0.066 0.000 0.969 433 Q CB 0.279 29.049 28.738 0.054 0.000 1.115 433 Q HN 0.492 nan 8.270 nan 0.000 0.433 434 S N 0.162 115.902 115.700 0.066 0.000 2.549 434 S HA 0.253 4.702 4.470 -0.034 0.000 0.286 434 S C -0.052 174.578 174.600 0.050 0.000 1.314 434 S CA -0.284 57.951 58.200 0.059 0.000 1.062 434 S CB 0.455 63.702 63.200 0.078 0.000 0.865 434 S HN 0.138 nan 8.310 nan 0.000 0.498 435 V N 7.794 127.732 119.914 0.040 0.000 2.531 435 V HA 0.472 4.572 4.120 -0.034 0.000 0.301 435 V C -2.080 174.035 176.094 0.035 0.000 1.034 435 V CA -1.679 60.642 62.300 0.035 0.000 0.865 435 V CB 1.838 33.677 31.823 0.027 0.000 0.995 435 V HN 0.843 nan 8.190 nan 0.000 0.424 436 P HA 0.289 nan 4.420 nan 0.000 0.271 436 P C -0.457 176.863 177.300 0.033 0.000 1.220 436 P CA 0.239 63.363 63.100 0.040 0.000 0.768 436 P CB 1.364 33.089 31.700 0.042 0.000 0.848 437 S N 1.520 117.240 115.700 0.033 0.000 2.806 437 S HA 0.430 4.880 4.470 -0.034 0.000 0.306 437 S C -0.006 174.617 174.600 0.038 0.000 1.167 437 S CA -0.735 57.482 58.200 0.030 0.000 0.847 437 S CB 0.500 63.712 63.200 0.020 0.000 1.216 437 S HN 0.411 nan 8.310 nan 0.000 0.532 438 N N 0.234 118.957 118.700 0.039 0.000 2.696 438 N HA -0.103 4.616 4.740 -0.034 0.000 0.256 438 N C 0.667 176.217 175.510 0.066 0.000 1.031 438 N CA 1.744 54.826 53.050 0.053 0.000 0.730 438 N CB -1.519 37.002 38.487 0.058 0.000 0.894 438 N HN 2.114 nan 8.380 nan 0.000 0.544 439 G N 1.033 109.870 108.800 0.062 0.000 2.305 439 G HA2 -0.297 3.643 3.960 -0.034 0.000 0.287 439 G HA3 -0.297 3.643 3.960 -0.034 0.000 0.287 439 G C 0.433 175.371 174.900 0.065 0.000 1.036 439 G CA 0.518 45.659 45.100 0.069 0.000 0.887 439 G HN 0.789 nan 8.290 nan 0.000 0.505 440 D N -2.104 118.329 120.400 0.055 0.000 2.978 440 D HA -0.232 4.387 4.640 -0.034 0.000 0.205 440 D C 1.333 177.668 176.300 0.058 0.000 1.093 440 D CA 1.586 55.617 54.000 0.052 0.000 1.006 440 D CB -1.196 39.632 40.800 0.047 0.000 1.116 440 D HN 0.690 nan 8.370 nan 0.000 0.419 441 N N 0.600 119.338 118.700 0.064 0.000 2.244 441 N HA -0.137 4.582 4.740 -0.034 0.000 0.183 441 N C 0.656 176.202 175.510 0.061 0.000 1.016 441 N CA 1.276 54.365 53.050 0.065 0.000 0.866 441 N CB 0.137 38.666 38.487 0.071 0.000 0.980 441 N HN 0.302 nan 8.380 nan 0.000 0.430 442 Q N 0.209 120.041 119.800 0.054 0.000 3.035 442 Q HA 0.078 4.398 4.340 -0.034 0.000 0.354 442 Q C -0.483 175.556 176.000 0.065 0.000 1.247 442 Q CA -0.327 55.509 55.803 0.055 0.000 1.068 442 Q CB 0.647 29.397 28.738 0.020 0.000 1.424 442 Q HN 0.501 nan 8.270 nan 0.000 0.486 443 D N -1.076 119.369 120.400 0.076 0.000 2.310 443 D HA -0.077 4.543 4.640 -0.034 0.000 0.212 443 D C 0.243 176.595 176.300 0.087 0.000 0.965 443 D CA 0.565 54.608 54.000 0.071 0.000 0.879 443 D CB 0.309 41.147 40.800 0.064 0.000 0.921 443 D HN 0.055 nan 8.370 nan 0.000 0.510 444 V N 0.888 120.877 119.914 0.124 0.000 2.567 444 V HA 0.449 4.548 4.120 -0.034 0.000 0.298 444 V C -0.186 176.074 176.094 0.277 0.000 1.047 444 V CA -0.991 61.409 62.300 0.167 0.000 0.880 444 V CB 2.040 33.954 31.823 0.152 0.000 1.009 444 V HN 0.152 nan 8.190 nan 0.000 0.429 445 V N 1.990 122.003 119.914 0.165 0.000 3.164 445 V HA 0.815 4.914 4.120 -0.034 0.000 0.313 445 V C 0.752 176.866 176.094 0.033 0.000 1.188 445 V CA 0.224 62.518 62.300 -0.010 0.000 1.058 445 V CB 1.894 33.674 31.823 -0.072 0.000 1.110 445 V HN 0.804 nan 8.190 nan 0.000 0.453 446 S N -1.121 114.515 115.700 -0.107 0.000 2.539 446 S HA 0.165 4.615 4.470 -0.034 0.000 0.226 446 S C 1.069 175.657 174.600 -0.019 0.000 1.054 446 S CA 0.617 58.805 58.200 -0.020 0.000 0.910 446 S CB -0.049 63.127 63.200 -0.041 0.000 0.818 446 S HN 1.085 nan 8.310 nan 0.000 0.490 447 M N 0.806 120.387 119.600 -0.032 0.000 2.818 447 M HA -0.159 4.300 4.480 -0.034 0.000 0.194 447 M C 1.156 177.457 176.300 0.001 0.000 0.586 447 M CA 0.817 56.114 55.300 -0.006 0.000 0.664 447 M CB -2.588 30.022 32.600 0.017 0.000 2.418 447 M HN 0.577 nan 8.290 nan 0.000 0.517 448 G N 0.233 109.024 108.800 -0.017 0.000 2.507 448 G HA2 -0.147 3.792 3.960 -0.034 0.000 0.221 448 G HA3 -0.147 3.792 3.960 -0.034 0.000 0.221 448 G C 1.286 176.192 174.900 0.011 0.000 1.119 448 G CA 1.218 46.311 45.100 -0.012 0.000 0.751 448 G HN 0.481 nan 8.290 nan 0.000 0.574 449 L N 0.345 121.583 121.223 0.025 0.000 2.313 449 L HA 0.285 4.604 4.340 -0.034 0.000 0.214 449 L C 2.488 179.400 176.870 0.070 0.000 1.119 449 L CA 0.825 55.702 54.840 0.061 0.000 0.809 449 L CB -0.118 41.993 42.059 0.087 0.000 0.933 449 L HN 0.263 nan 8.230 nan 0.000 0.449 450 I N -1.919 118.678 120.570 0.045 0.000 2.333 450 I HA -0.197 3.952 4.170 -0.034 0.000 0.246 450 I C 2.311 178.454 176.117 0.043 0.000 1.106 450 I CA 0.802 62.126 61.300 0.040 0.000 1.411 450 I CB -0.312 37.706 38.000 0.029 0.000 1.082 450 I HN 0.110 nan 8.210 nan 0.000 0.420 451 S N 0.962 116.684 115.700 0.037 0.000 2.359 451 S HA -0.196 4.254 4.470 -0.034 0.000 0.224 451 S C 2.270 176.893 174.600 0.038 0.000 1.035 451 S CA 1.553 59.774 58.200 0.034 0.000 1.018 451 S CB -0.345 62.866 63.200 0.017 0.000 0.876 451 S HN 0.536 nan 8.310 nan 0.000 0.448 452 A N 1.682 124.527 122.820 0.041 0.000 1.902 452 A HA -0.100 4.199 4.320 -0.034 0.000 0.217 452 A C 2.136 179.763 177.584 0.071 0.000 1.181 452 A CA 1.278 53.344 52.037 0.049 0.000 0.623 452 A CB -0.452 18.575 19.000 0.046 0.000 0.818 452 A HN 0.414 nan 8.150 nan 0.000 0.443 453 R N -0.503 120.049 120.500 0.087 0.000 2.115 453 R HA -0.090 4.229 4.340 -0.034 0.000 0.230 453 R C 1.791 178.127 176.300 0.059 0.000 1.111 453 R CA 1.234 57.387 56.100 0.089 0.000 0.976 453 R CB -0.326 30.022 30.300 0.080 0.000 0.870 453 R HN 0.490 nan 8.270 nan 0.000 0.445 454 N N 0.980 119.711 118.700 0.051 0.000 2.120 454 N HA -0.142 4.577 4.740 -0.034 0.000 0.188 454 N C 1.645 177.185 175.510 0.050 0.000 1.024 454 N CA 1.621 54.698 53.050 0.045 0.000 0.852 454 N CB -0.331 38.184 38.487 0.046 0.000 1.003 454 N HN 0.209 nan 8.380 nan 0.000 0.424 455 A N 1.098 123.951 122.820 0.054 0.000 1.930 455 A HA -0.127 4.173 4.320 -0.034 0.000 0.217 455 A C 2.233 179.851 177.584 0.057 0.000 1.175 455 A CA 1.285 53.356 52.037 0.057 0.000 0.627 455 A CB -0.465 18.569 19.000 0.056 0.000 0.815 455 A HN 0.280 nan 8.150 nan 0.000 0.443 456 R N -0.312 120.225 120.500 0.061 0.000 2.096 456 R HA -0.134 4.186 4.340 -0.034 0.000 0.235 456 R C 2.372 178.704 176.300 0.054 0.000 1.127 456 R CA 1.583 57.721 56.100 0.063 0.000 0.968 456 R CB -0.297 30.051 30.300 0.081 0.000 0.861 456 R HN 0.562 nan 8.270 nan 0.000 0.440 457 R N 0.174 120.702 120.500 0.048 0.000 2.066 457 R HA -0.076 4.244 4.340 -0.034 0.000 0.232 457 R C 2.060 178.384 176.300 0.040 0.000 1.131 457 R CA 1.666 57.789 56.100 0.039 0.000 0.955 457 R CB -0.188 30.131 30.300 0.031 0.000 0.851 457 R HN 0.133 nan 8.270 nan 0.000 0.432 458 V N 1.616 121.556 119.914 0.043 0.000 2.407 458 V HA -0.231 3.869 4.120 -0.034 0.000 0.248 458 V C 2.304 178.426 176.094 0.046 0.000 1.055 458 V CA 1.556 63.882 62.300 0.044 0.000 1.049 458 V CB -0.548 31.303 31.823 0.047 0.000 0.662 458 V HN 0.361 nan 8.190 nan 0.000 0.455 459 L N 0.254 121.507 121.223 0.049 0.000 1.994 459 L HA -0.157 4.162 4.340 -0.034 0.000 0.208 459 L C 2.657 179.557 176.870 0.050 0.000 1.071 459 L CA 2.514 57.385 54.840 0.051 0.000 0.745 459 L CB -0.749 41.343 42.059 0.053 0.000 0.892 459 L HN 0.313 nan 8.230 nan 0.000 0.431 460 S N -0.491 115.237 115.700 0.047 0.000 2.383 460 S HA -0.192 4.258 4.470 -0.034 0.000 0.229 460 S C 1.877 176.502 174.600 0.042 0.000 1.030 460 S CA 1.608 59.834 58.200 0.043 0.000 1.002 460 S CB -0.496 62.728 63.200 0.039 0.000 0.829 460 S HN 0.640 nan 8.310 nan 0.000 0.467 461 N N 2.096 120.820 118.700 0.040 0.000 2.244 461 N HA 0.016 4.735 4.740 -0.034 0.000 0.183 461 N C 1.447 176.984 175.510 0.044 0.000 1.016 461 N CA 0.854 53.927 53.050 0.039 0.000 0.866 461 N CB -0.800 37.709 38.487 0.036 0.000 0.980 461 N HN 0.427 nan 8.380 nan 0.000 0.430 462 N N 1.391 120.119 118.700 0.047 0.000 2.244 462 N HA -0.056 4.664 4.740 -0.034 0.000 0.183 462 N C 1.202 176.748 175.510 0.060 0.000 1.016 462 N CA 0.529 53.610 53.050 0.052 0.000 0.866 462 N CB -0.385 38.133 38.487 0.052 0.000 0.980 462 N HN 0.264 nan 8.380 nan 0.000 0.430 463 N N 1.278 120.014 118.700 0.060 0.000 2.104 463 N HA -0.121 4.598 4.740 -0.034 0.000 0.190 463 N C 1.484 177.033 175.510 0.064 0.000 1.024 463 N CA 0.910 54.000 53.050 0.066 0.000 0.853 463 N CB -0.073 38.450 38.487 0.059 0.000 1.008 463 N HN 0.274 nan 8.380 nan 0.000 0.424 464 K N 1.027 121.459 120.400 0.053 0.000 2.057 464 K HA 0.002 4.301 4.320 -0.034 0.000 0.207 464 K C 2.231 178.864 176.600 0.055 0.000 1.049 464 K CA 0.566 56.882 56.287 0.048 0.000 0.931 464 K CB -0.497 32.025 32.500 0.038 0.000 0.714 464 K HN 0.291 nan 8.250 nan 0.000 0.440 465 I N 1.168 121.771 120.570 0.055 0.000 2.226 465 I HA -0.265 3.884 4.170 -0.034 0.000 0.245 465 I C 2.344 178.500 176.117 0.065 0.000 1.100 465 I CA 1.100 62.432 61.300 0.054 0.000 1.374 465 I CB -0.319 37.709 38.000 0.047 0.000 1.057 465 I HN 0.033 nan 8.210 nan 0.000 0.413 466 L N 0.445 121.718 121.223 0.082 0.000 2.141 466 L HA -0.157 4.163 4.340 -0.034 0.000 0.209 466 L C 2.849 179.837 176.870 0.197 0.000 1.094 466 L CA 1.033 55.946 54.840 0.122 0.000 0.763 466 L CB -0.680 41.477 42.059 0.163 0.000 0.908 466 L HN 0.230 nan 8.230 nan 0.000 0.437 467 A N -0.172 122.732 122.820 0.140 0.000 1.877 467 A HA -0.160 4.140 4.320 -0.034 0.000 0.216 467 A C 2.314 179.981 177.584 0.139 0.000 1.186 467 A CA 1.792 53.903 52.037 0.124 0.000 0.620 467 A CB -0.833 18.212 19.000 0.075 0.000 0.822 467 A HN 0.185 nan 8.150 nan 0.000 0.443 468 V N -0.060 119.919 119.914 0.108 0.000 2.594 468 V HA -0.234 3.865 4.120 -0.034 0.000 0.253 468 V C 2.433 178.612 176.094 0.142 0.000 1.069 468 V CA 2.182 64.556 62.300 0.123 0.000 1.082 468 V CB -0.615 31.260 31.823 0.086 0.000 0.680 468 V HN 0.676 nan 8.190 nan 0.000 0.469 469 E N -0.940 119.311 120.200 0.086 0.000 2.072 469 E HA -0.185 4.144 4.350 -0.034 0.000 0.190 469 E C 2.168 178.743 176.600 -0.041 0.000 0.982 469 E CA 1.155 57.554 56.400 -0.002 0.000 0.803 469 E CB -0.112 29.544 29.700 -0.075 0.000 0.755 469 E HN 0.706 nan 8.360 nan 0.000 0.453 470 Y N 0.688 120.940 120.300 -0.080 0.000 2.181 470 Y HA -0.192 4.337 4.550 -0.035 0.000 0.288 470 Y C 2.197 178.085 175.900 -0.020 0.000 1.146 470 Y CA 1.073 59.092 58.100 -0.135 0.000 1.164 470 Y CB -0.074 38.184 38.460 -0.337 0.000 0.982 470 Y HN 0.056 nan 8.280 nan 0.000 0.515 471 L N -1.182 120.177 121.223 0.227 0.000 2.056 471 L HA -0.231 4.088 4.340 -0.034 0.000 0.207 471 L C 2.675 179.685 176.870 0.233 0.000 1.078 471 L CA 1.068 56.082 54.840 0.290 0.000 0.749 471 L CB -0.833 41.447 42.059 0.369 0.000 0.901 471 L HN 0.212 nan 8.230 nan 0.000 0.433 472 A N 0.062 122.958 122.820 0.128 0.000 1.877 472 A HA -0.187 4.113 4.320 -0.034 0.000 0.216 472 A C 2.538 179.995 177.584 -0.211 0.000 1.186 472 A CA 1.801 53.668 52.037 -0.282 0.000 0.620 472 A CB -0.785 18.116 19.000 -0.165 0.000 0.822 472 A HN 0.397 nan 8.150 nan 0.000 0.443 473 A N 0.017 122.781 122.820 -0.094 0.000 1.851 473 A HA 0.081 4.381 4.320 -0.034 0.000 0.216 473 A C 2.577 180.181 177.584 0.032 0.000 1.195 473 A CA 2.618 54.617 52.037 -0.063 0.000 0.622 473 A CB -1.332 17.613 19.000 -0.092 0.000 0.831 473 A HN 1.221 nan 8.150 nan 0.000 0.444 474 A N -1.088 121.811 122.820 0.131 0.000 1.917 474 A HA -0.279 4.021 4.320 -0.034 0.000 0.219 474 A C 2.167 179.911 177.584 0.266 0.000 1.182 474 A CA 2.464 54.697 52.037 0.326 0.000 0.633 474 A CB -0.593 18.533 19.000 0.210 0.000 0.819 474 A HN 0.614 nan 8.150 nan 0.000 0.448 475 Q N -0.242 119.602 119.800 0.074 0.000 2.079 475 Q HA 0.016 4.335 4.340 -0.034 0.000 0.200 475 Q C 2.003 177.969 176.000 -0.056 0.000 0.974 475 Q CA 2.116 57.910 55.803 -0.016 0.000 0.840 475 Q CB -0.628 27.935 28.738 -0.292 0.000 0.898 475 Q HN 0.552 nan 8.270 nan 0.000 0.430 476 A N -0.537 122.220 122.820 -0.106 0.000 1.972 476 A HA -0.105 4.195 4.320 -0.034 0.000 0.219 476 A C 2.238 179.803 177.584 -0.033 0.000 1.169 476 A CA 1.535 53.517 52.037 -0.092 0.000 0.635 476 A CB -0.724 18.212 19.000 -0.107 0.000 0.810 476 A HN 0.274 nan 8.150 nan 0.000 0.446 477 V N 1.648 121.567 119.914 0.008 0.000 2.270 477 V HA -0.257 3.842 4.120 -0.034 0.000 0.245 477 V C 2.245 178.328 176.094 -0.019 0.000 1.043 477 V CA 2.390 64.676 62.300 -0.023 0.000 1.014 477 V CB -0.982 30.795 31.823 -0.076 0.000 0.645 477 V HN 0.842 nan 8.190 nan 0.000 0.447 478 D N -0.460 119.965 120.400 0.042 0.000 2.277 478 D HA -0.098 4.522 4.640 -0.034 0.000 0.208 478 D C 1.884 178.201 176.300 0.028 0.000 0.962 478 D CA 0.801 54.827 54.000 0.043 0.000 0.865 478 D CB -0.396 40.473 40.800 0.116 0.000 0.939 478 D HN 0.421 nan 8.370 nan 0.000 0.510 479 I N 0.975 121.555 120.570 0.018 0.000 2.252 479 I HA -0.227 3.923 4.170 -0.034 0.000 0.245 479 I C 1.928 178.044 176.117 -0.002 0.000 1.102 479 I CA 1.461 62.763 61.300 0.003 0.000 1.385 479 I CB -0.113 37.877 38.000 -0.018 0.000 1.064 479 I HN 0.121 nan 8.210 nan 0.000 0.414 480 S N 0.118 115.813 115.700 -0.008 0.000 2.562 480 S HA 0.095 4.544 4.470 -0.034 0.000 0.221 480 S C 1.615 176.214 174.600 -0.002 0.000 0.975 480 S CA 0.410 58.606 58.200 -0.007 0.000 0.918 480 S CB 0.152 63.345 63.200 -0.012 0.000 0.772 480 S HN 0.591 nan 8.310 nan 0.000 0.531 481 G N 1.975 110.776 108.800 0.001 0.000 2.249 481 G HA2 -0.300 3.639 3.960 -0.034 0.000 0.273 481 G HA3 -0.300 3.639 3.960 -0.034 0.000 0.273 481 G C 0.502 175.409 174.900 0.012 0.000 1.036 481 G CA 0.335 45.441 45.100 0.010 0.000 0.824 481 G HN 0.591 nan 8.290 nan 0.000 0.504 482 R N -1.067 119.429 120.500 -0.007 0.000 2.426 482 R HA 0.311 4.630 4.340 -0.034 0.000 0.263 482 R C 1.793 178.061 176.300 -0.054 0.000 0.961 482 R CA -0.093 55.991 56.100 -0.027 0.000 1.086 482 R CB -0.133 30.140 30.300 -0.046 0.000 1.186 482 R HN 0.448 nan 8.270 nan 0.000 0.537 483 F N 1.851 121.696 119.950 -0.174 0.000 2.161 483 F HA -0.225 4.281 4.527 -0.035 0.000 0.300 483 F C 1.453 177.172 175.800 -0.134 0.000 1.089 483 F CA 1.656 59.516 58.000 -0.232 0.000 1.282 483 F CB 0.245 39.066 39.000 -0.299 0.000 1.010 483 F HN 0.014 nan 8.300 nan 0.000 0.485 484 D N -0.142 120.314 120.400 0.093 0.000 2.264 484 D HA -0.068 4.551 4.640 -0.034 0.000 0.208 484 D C 2.290 178.533 176.300 -0.094 0.000 0.966 484 D CA 1.234 55.255 54.000 0.036 0.000 0.864 484 D CB -0.579 40.274 40.800 0.088 0.000 0.933 484 D HN 0.469 nan 8.370 nan 0.000 0.499 485 G N -0.030 108.700 108.800 -0.117 0.000 2.683 485 G HA2 0.080 4.019 3.960 -0.034 0.000 0.213 485 G HA3 0.080 4.019 3.960 -0.034 0.000 0.213 485 G C 0.830 175.636 174.900 -0.157 0.000 1.142 485 G CA -0.263 44.772 45.100 -0.109 0.000 0.793 485 G HN 0.167 nan 8.290 nan 0.000 0.534 486 L N 2.230 123.297 121.223 -0.260 0.000 2.506 486 L HA 0.173 4.492 4.340 -0.034 0.000 0.281 486 L C 1.403 178.145 176.870 -0.214 0.000 1.228 486 L CA -0.435 54.244 54.840 -0.267 0.000 0.850 486 L CB 0.606 42.412 42.059 -0.421 0.000 1.110 486 L HN 0.240 nan 8.230 nan 0.000 0.496 487 S N 1.967 117.579 115.700 -0.147 0.000 2.617 487 S HA 0.210 4.660 4.470 -0.034 0.000 0.259 487 S C -1.855 172.683 174.600 -0.104 0.000 1.301 487 S CA -1.057 57.082 58.200 -0.103 0.000 0.984 487 S CB 0.804 63.959 63.200 -0.075 0.000 0.954 487 S HN 0.416 nan 8.310 nan 0.000 0.572 488 P HA -0.030 nan 4.420 nan 0.000 0.215 488 P C 1.664 178.953 177.300 -0.017 0.000 1.157 488 P CA 2.018 65.095 63.100 -0.038 0.000 0.868 488 P CB -0.316 31.374 31.700 -0.017 0.000 0.788 489 A N -0.019 122.792 122.820 -0.014 0.000 1.877 489 A HA -0.142 4.157 4.320 -0.034 0.000 0.216 489 A C 2.332 179.931 177.584 0.024 0.000 1.186 489 A CA 2.225 54.269 52.037 0.012 0.000 0.620 489 A CB -1.672 17.329 19.000 0.001 0.000 0.822 489 A HN 0.185 nan 8.150 nan 0.000 0.443 490 A N -0.157 122.652 122.820 -0.019 0.000 1.902 490 A HA -0.178 4.121 4.320 -0.034 0.000 0.217 490 A C 2.102 179.693 177.584 0.011 0.000 1.181 490 A CA 1.818 53.845 52.037 -0.017 0.000 0.623 490 A CB -0.437 18.513 19.000 -0.083 0.000 0.818 490 A HN 0.557 nan 8.150 nan 0.000 0.443 491 K N -0.336 120.023 120.400 -0.069 0.000 2.148 491 K HA -0.020 4.279 4.320 -0.034 0.000 0.204 491 K C 2.297 179.008 176.600 0.185 0.000 1.050 491 K CA 0.954 57.216 56.287 -0.042 0.000 0.942 491 K CB -0.293 32.108 32.500 -0.164 0.000 0.724 491 K HN 0.455 nan 8.250 nan 0.000 0.446 492 A N 1.235 124.134 122.820 0.132 0.000 1.855 492 A HA -0.149 4.150 4.320 -0.034 0.000 0.215 492 A C 2.271 179.985 177.584 0.216 0.000 1.191 492 A CA 2.020 54.149 52.037 0.154 0.000 0.613 492 A CB -1.043 18.021 19.000 0.108 0.000 0.829 492 A HN 0.228 nan 8.150 nan 0.000 0.442 493 T N -1.277 113.420 114.554 0.237 0.000 2.684 493 T HA -0.225 4.104 4.350 -0.034 0.000 0.267 493 T C 1.807 176.733 174.700 0.377 0.000 1.036 493 T CA 1.836 64.143 62.100 0.344 0.000 1.148 493 T CB -0.542 68.492 68.868 0.276 0.000 0.863 493 T HN 0.552 nan 8.240 nan 0.000 0.436 494 Y N 2.143 122.569 120.300 0.209 0.000 2.097 494 Y HA -0.194 4.335 4.550 -0.034 0.000 0.282 494 Y C 2.342 178.393 175.900 0.251 0.000 1.152 494 Y CA 1.696 59.934 58.100 0.230 0.000 1.136 494 Y CB -0.372 38.234 38.460 0.243 0.000 0.975 494 Y HN 0.313 nan 8.280 nan 0.000 0.498 495 E N -0.022 120.338 120.200 0.267 0.000 2.153 495 E HA -0.202 4.127 4.350 -0.034 0.000 0.194 495 E C 2.335 178.954 176.600 0.032 0.000 0.988 495 E CA 0.862 57.328 56.400 0.110 0.000 0.811 495 E CB -0.331 29.496 29.700 0.213 0.000 0.746 495 E HN 0.603 nan 8.360 nan 0.000 0.466 496 A N 1.006 123.888 122.820 0.104 0.000 1.898 496 A HA -0.125 4.174 4.320 -0.034 0.000 0.216 496 A C 2.503 180.146 177.584 0.098 0.000 1.181 496 A CA 1.046 53.106 52.037 0.038 0.000 0.620 496 A CB -0.558 18.451 19.000 0.015 0.000 0.819 496 A HN 0.104 nan 8.150 nan 0.000 0.442 497 V N 0.045 120.116 119.914 0.262 0.000 2.270 497 V HA -0.200 3.899 4.120 -0.034 0.000 0.245 497 V C 2.659 178.761 176.094 0.013 0.000 1.043 497 V CA 1.925 64.360 62.300 0.226 0.000 1.014 497 V CB -0.749 31.186 31.823 0.188 0.000 0.645 497 V HN 0.427 nan 8.190 nan 0.000 0.447 498 R N -0.115 120.283 120.500 -0.170 0.000 2.193 498 R HA -0.105 4.215 4.340 -0.034 0.000 0.229 498 R C 2.274 178.518 176.300 -0.093 0.000 1.110 498 R CA 1.086 57.063 56.100 -0.204 0.000 0.988 498 R CB -0.791 29.250 30.300 -0.432 0.000 0.871 498 R HN 0.469 nan 8.270 nan 0.000 0.458 499 R N 0.242 120.703 120.500 -0.065 0.000 2.235 499 R HA 0.024 4.343 4.340 -0.034 0.000 0.213 499 R C 1.712 177.992 176.300 -0.035 0.000 1.059 499 R CA 0.688 56.762 56.100 -0.044 0.000 0.997 499 R CB 0.139 30.411 30.300 -0.046 0.000 0.884 499 R HN 0.159 nan 8.270 nan 0.000 0.462 500 L N -0.787 120.422 121.223 -0.022 0.000 2.362 500 L HA 0.214 4.534 4.340 -0.034 0.000 0.204 500 L C -0.035 176.840 176.870 0.009 0.000 1.060 500 L CA 0.115 54.951 54.840 -0.006 0.000 0.827 500 L CB 0.837 42.901 42.059 0.009 0.000 1.027 500 L HN -0.139 nan 8.230 nan 0.000 0.474 501 V N 0.238 120.163 119.914 0.018 0.000 2.577 501 V HA 0.372 4.471 4.120 -0.034 0.000 0.303 501 V C -2.409 173.696 176.094 0.019 0.000 1.042 501 V CA -1.625 60.691 62.300 0.028 0.000 0.872 501 V CB 1.716 33.571 31.823 0.053 0.000 0.998 501 V HN -0.061 nan 8.190 nan 0.000 0.423 502 P HA 0.137 nan 4.420 nan 0.000 0.272 502 P C 0.148 177.481 177.300 0.054 0.000 1.230 502 P CA 0.048 63.163 63.100 0.024 0.000 0.788 502 P CB 0.389 32.103 31.700 0.023 0.000 0.949 503 T N 1.383 115.974 114.554 0.062 0.000 2.937 503 T HA 0.048 4.377 4.350 -0.034 0.000 0.316 503 T C 0.028 174.790 174.700 0.104 0.000 1.079 503 T CA -0.264 61.898 62.100 0.103 0.000 1.131 503 T CB -0.249 68.682 68.868 0.104 0.000 1.000 503 T HN 0.201 nan 8.240 nan 0.000 0.549 504 L N 6.179 127.495 121.223 0.155 0.000 2.363 504 L HA 0.497 4.817 4.340 -0.034 0.000 0.286 504 L C 0.935 177.849 176.870 0.073 0.000 1.106 504 L CA 0.429 55.354 54.840 0.141 0.000 0.859 504 L CB -0.051 42.181 42.059 0.289 0.000 1.223 504 L HN 0.854 nan 8.230 nan 0.000 0.446 505 G N 4.229 113.044 108.800 0.024 0.000 2.620 505 G HA2 0.202 4.141 3.960 -0.034 0.000 0.200 505 G HA3 0.202 4.141 3.960 -0.034 0.000 0.200 505 G C 0.311 175.145 174.900 -0.110 0.000 1.710 505 G CA 0.413 45.498 45.100 -0.026 0.000 0.919 505 G HN 0.659 nan 8.290 nan 0.000 0.455 506 V N -1.079 118.761 119.914 -0.123 0.000 3.083 506 V HA 0.407 4.507 4.120 -0.034 0.000 0.306 506 V C -0.312 175.757 176.094 -0.042 0.000 1.077 506 V CA -1.209 60.945 62.300 -0.244 0.000 1.073 506 V CB 1.046 32.853 31.823 -0.027 0.000 1.081 506 V HN 0.291 nan 8.190 nan 0.000 0.474 507 D N 2.098 122.579 120.400 0.136 0.000 2.449 507 D HA 0.382 5.001 4.640 -0.034 0.000 0.236 507 D C 0.350 176.706 176.300 0.094 0.000 1.149 507 D CA 0.668 54.762 54.000 0.156 0.000 0.878 507 D CB 0.354 41.300 40.800 0.242 0.000 1.198 507 D HN 0.866 nan 8.370 nan 0.000 0.446 508 R N 0.493 121.021 120.500 0.047 0.000 2.716 508 R HA 0.270 4.589 4.340 -0.034 0.000 0.271 508 R C -1.055 175.285 176.300 0.065 0.000 1.028 508 R CA -1.057 55.082 56.100 0.064 0.000 0.883 508 R CB 0.328 30.663 30.300 0.058 0.000 1.250 508 R HN 0.278 nan 8.270 nan 0.000 0.465 509 Y N 2.620 122.903 120.300 -0.029 0.000 2.804 509 Y HA -0.061 4.468 4.550 -0.036 0.000 0.338 509 Y C 0.827 176.692 175.900 -0.058 0.000 1.252 509 Y CA 0.658 58.736 58.100 -0.037 0.000 1.576 509 Y CB 0.642 39.087 38.460 -0.024 0.000 1.223 509 Y HN 0.580 nan 8.280 nan 0.000 0.536 510 M N 4.714 124.142 119.600 -0.287 0.000 2.534 510 M HA 0.068 4.527 4.480 -0.034 0.000 0.263 510 M C 2.207 178.357 176.300 -0.251 0.000 1.152 510 M CA 0.960 56.113 55.300 -0.246 0.000 1.145 510 M CB -1.190 31.229 32.600 -0.301 0.000 1.333 510 M HN 0.819 nan 8.290 nan 0.000 0.477 511 A N 1.700 124.232 122.820 -0.480 0.000 1.896 511 A HA -0.244 4.056 4.320 -0.034 0.000 0.220 511 A C 1.853 179.413 177.584 -0.039 0.000 1.206 511 A CA 2.458 54.322 52.037 -0.288 0.000 0.647 511 A CB -0.868 17.883 19.000 -0.415 0.000 0.828 511 A HN 0.420 nan 8.150 nan 0.000 0.455 512 D N -0.191 120.284 120.400 0.125 0.000 2.117 512 D HA -0.108 4.512 4.640 -0.034 0.000 0.198 512 D C 1.484 177.822 176.300 0.063 0.000 0.982 512 D CA 1.406 55.488 54.000 0.136 0.000 0.828 512 D CB -0.530 40.383 40.800 0.188 0.000 0.967 512 D HN 0.418 nan 8.370 nan 0.000 0.464 513 D N 0.676 121.101 120.400 0.042 0.000 2.092 513 D HA -0.122 4.497 4.640 -0.034 0.000 0.193 513 D C 2.331 178.641 176.300 0.017 0.000 0.994 513 D CA 0.582 54.594 54.000 0.021 0.000 0.828 513 D CB -0.396 40.398 40.800 -0.009 0.000 0.963 513 D HN 0.277 nan 8.370 nan 0.000 0.450 514 I N 0.538 121.101 120.570 -0.011 0.000 2.127 514 I HA -0.249 3.900 4.170 -0.034 0.000 0.241 514 I C 2.292 178.422 176.117 0.023 0.000 1.075 514 I CA 1.123 62.425 61.300 0.003 0.000 1.334 514 I CB -0.283 37.701 38.000 -0.027 0.000 1.040 514 I HN -0.094 nan 8.210 nan 0.000 0.405 515 E N 0.817 121.028 120.200 0.018 0.000 2.265 515 E HA -0.205 4.124 4.350 -0.034 0.000 0.196 515 E C 1.858 178.478 176.600 0.033 0.000 0.996 515 E CA 0.837 57.253 56.400 0.027 0.000 0.832 515 E CB -0.119 29.598 29.700 0.029 0.000 0.756 515 E HN 0.277 nan 8.360 nan 0.000 0.491 516 L N -0.954 120.291 121.223 0.036 0.000 2.095 516 L HA -0.044 4.276 4.340 -0.034 0.000 0.204 516 L C 2.006 178.904 176.870 0.047 0.000 1.080 516 L CA 1.116 55.977 54.840 0.035 0.000 0.759 516 L CB -0.289 41.790 42.059 0.033 0.000 0.914 516 L HN 0.026 nan 8.230 nan 0.000 0.439 517 V N -0.381 119.574 119.914 0.069 0.000 2.548 517 V HA -0.139 3.961 4.120 -0.034 0.000 0.249 517 V C 2.666 178.818 176.094 0.098 0.000 1.055 517 V CA 1.205 63.573 62.300 0.114 0.000 1.065 517 V CB -0.910 30.977 31.823 0.108 0.000 0.681 517 V HN 0.522 nan 8.190 nan 0.000 0.462 518 A N -0.421 122.438 122.820 0.065 0.000 1.933 518 A HA -0.241 4.059 4.320 -0.034 0.000 0.218 518 A C 2.061 179.677 177.584 0.053 0.000 1.175 518 A CA 1.911 53.982 52.037 0.057 0.000 0.628 518 A CB -0.457 18.570 19.000 0.046 0.000 0.814 518 A HN 0.514 nan 8.150 nan 0.000 0.444 519 D N -0.177 120.248 120.400 0.042 0.000 2.149 519 D HA 0.007 4.626 4.640 -0.034 0.000 0.201 519 D C 2.293 178.603 176.300 0.017 0.000 0.972 519 D CA 1.249 55.264 54.000 0.026 0.000 0.835 519 D CB -0.210 40.599 40.800 0.015 0.000 0.966 519 D HN 0.391 nan 8.370 nan 0.000 0.476 520 A N 0.938 123.769 122.820 0.018 0.000 1.908 520 A HA -0.153 4.147 4.320 -0.034 0.000 0.218 520 A C 2.395 179.988 177.584 0.015 0.000 1.181 520 A CA 0.976 52.988 52.037 -0.041 0.000 0.627 520 A CB -0.795 18.154 19.000 -0.085 0.000 0.818 520 A HN 0.204 nan 8.150 nan 0.000 0.445 521 L N 0.367 121.662 121.223 0.120 0.000 2.093 521 L HA -0.160 4.159 4.340 -0.034 0.000 0.208 521 L C 2.863 179.780 176.870 0.079 0.000 1.085 521 L CA 1.537 56.456 54.840 0.131 0.000 0.755 521 L CB -0.354 41.760 42.059 0.092 0.000 0.904 521 L HN 0.598 nan 8.230 nan 0.000 0.435 522 S N 0.300 116.032 115.700 0.054 0.000 2.555 522 S HA -0.136 4.313 4.470 -0.034 0.000 0.230 522 S C 1.514 176.132 174.600 0.031 0.000 0.978 522 S CA 0.411 58.637 58.200 0.043 0.000 0.934 522 S CB -0.330 62.892 63.200 0.037 0.000 0.766 522 S HN 0.610 nan 8.310 nan 0.000 0.533 523 R N -0.207 120.303 120.500 0.017 0.000 2.629 523 R HA 0.518 4.837 4.340 -0.034 0.000 0.386 523 R C 1.098 177.394 176.300 -0.007 0.000 1.071 523 R CA 0.003 56.103 56.100 0.001 0.000 1.104 523 R CB -0.610 29.680 30.300 -0.017 0.000 1.370 523 R HN 0.278 nan 8.270 nan 0.000 0.574 524 G N 1.507 110.317 108.800 0.017 0.000 2.203 524 G HA2 -0.305 3.634 3.960 -0.034 0.000 0.263 524 G HA3 -0.305 3.634 3.960 -0.034 0.000 0.263 524 G C 0.683 175.568 174.900 -0.026 0.000 1.012 524 G CA 0.664 45.779 45.100 0.024 0.000 0.749 524 G HN 0.397 nan 8.290 nan 0.000 0.512 525 E N -0.256 119.873 120.200 -0.117 0.000 2.049 525 E HA -0.144 4.185 4.350 -0.034 0.000 0.198 525 E C 2.116 178.509 176.600 -0.344 0.000 1.007 525 E CA 1.504 57.725 56.400 -0.299 0.000 0.809 525 E CB -0.407 28.965 29.700 -0.546 0.000 0.749 525 E HN 0.639 nan 8.360 nan 0.000 0.450 526 F N 0.236 120.138 119.950 -0.080 0.000 2.451 526 F HA -0.086 4.419 4.527 -0.037 0.000 0.299 526 F C 2.224 178.037 175.800 0.023 0.000 1.101 526 F CA 0.312 58.288 58.000 -0.040 0.000 1.436 526 F CB -0.283 38.653 39.000 -0.106 0.000 1.074 526 F HN 0.026 nan 8.300 nan 0.000 0.553 527 L N -0.321 120.986 121.223 0.141 0.000 2.270 527 L HA 0.039 4.359 4.340 -0.034 0.000 0.210 527 L C 2.300 179.202 176.870 0.052 0.000 1.104 527 L CA 1.331 56.233 54.840 0.105 0.000 0.804 527 L CB -0.478 41.634 42.059 0.089 0.000 0.937 527 L HN -0.147 nan 8.230 nan 0.000 0.450 528 R N -0.433 120.072 120.500 0.009 0.000 2.080 528 R HA 0.141 4.460 4.340 -0.034 0.000 0.222 528 R C 2.268 178.563 176.300 -0.009 0.000 1.107 528 R CA 1.262 57.354 56.100 -0.013 0.000 0.980 528 R CB -0.671 29.600 30.300 -0.048 0.000 0.879 528 R HN 0.376 nan 8.270 nan 0.000 0.439 529 A N 0.603 123.410 122.820 -0.023 0.000 1.917 529 A HA -0.188 4.111 4.320 -0.034 0.000 0.219 529 A C 2.168 179.776 177.584 0.041 0.000 1.182 529 A CA 1.740 53.776 52.037 -0.000 0.000 0.633 529 A CB -0.709 18.294 19.000 0.006 0.000 0.819 529 A HN 0.347 nan 8.150 nan 0.000 0.448 530 I N -0.726 119.881 120.570 0.063 0.000 2.353 530 I HA -0.211 3.938 4.170 -0.034 0.000 0.248 530 I C 2.877 179.017 176.117 0.039 0.000 1.119 530 I CA 0.891 62.228 61.300 0.061 0.000 1.417 530 I CB -0.277 37.767 38.000 0.074 0.000 1.078 530 I HN 0.371 nan 8.210 nan 0.000 0.421 531 A N 1.296 124.134 122.820 0.031 0.000 2.015 531 A HA -0.167 4.133 4.320 -0.034 0.000 0.219 531 A C 2.337 179.931 177.584 0.016 0.000 1.163 531 A CA 1.298 53.348 52.037 0.022 0.000 0.646 531 A CB -0.355 18.656 19.000 0.018 0.000 0.806 531 A HN 0.454 nan 8.150 nan 0.000 0.448 532 R N -1.258 119.250 120.500 0.014 0.000 2.334 532 R HA 0.148 4.468 4.340 -0.034 0.000 0.212 532 R C 0.194 176.504 176.300 0.017 0.000 0.897 532 R CA 0.749 56.856 56.100 0.011 0.000 1.056 532 R CB 0.035 30.337 30.300 0.003 0.000 1.046 532 R HN 0.346 nan 8.270 nan 0.000 0.513 533 E N 1.311 121.526 120.200 0.024 0.000 2.434 533 E HA 0.072 4.401 4.350 -0.034 0.000 0.207 533 E C 0.517 177.135 176.600 0.029 0.000 0.929 533 E CA 0.875 57.294 56.400 0.032 0.000 1.001 533 E CB 1.109 30.836 29.700 0.045 0.000 1.016 533 E HN 0.463 nan 8.360 nan 0.000 0.502 534 T N -2.038 112.531 114.554 0.026 0.000 2.858 534 T HA 0.370 4.700 4.350 -0.034 0.000 0.285 534 T C 0.059 174.768 174.700 0.016 0.000 1.052 534 T CA -0.716 61.396 62.100 0.020 0.000 1.009 534 T CB 1.817 70.697 68.868 0.020 0.000 1.241 534 T HN -0.336 nan 8.240 nan 0.000 0.542 535 D N 0.125 120.532 120.400 0.012 0.000 2.402 535 D HA 0.284 4.904 4.640 -0.034 0.000 0.216 535 D C 0.348 176.654 176.300 0.009 0.000 1.128 535 D CA -0.062 53.944 54.000 0.010 0.000 0.833 535 D CB 0.207 41.011 40.800 0.008 0.000 0.971 535 D HN 0.524 nan 8.370 nan 0.000 0.503 536 I N 1.694 122.270 120.570 0.011 0.000 2.556 536 I HA -0.042 4.108 4.170 -0.034 0.000 0.284 536 I C 0.571 176.696 176.117 0.013 0.000 1.114 536 I CA 0.271 61.577 61.300 0.010 0.000 1.418 536 I CB 0.594 38.600 38.000 0.009 0.000 1.394 536 I HN -0.357 nan 8.210 nan 0.000 0.552 537 Q N 7.525 127.332 119.800 0.011 0.000 2.456 537 Q HA 0.433 4.752 4.340 -0.034 0.000 0.252 537 Q C -0.738 175.272 176.000 0.016 0.000 1.042 537 Q CA -0.512 55.299 55.803 0.014 0.000 0.766 537 Q CB 1.681 30.425 28.738 0.011 0.000 1.196 537 Q HN 0.581 nan 8.270 nan 0.000 0.504 538 L N 2.310 123.547 121.223 0.023 0.000 2.416 538 L HA 0.273 4.592 4.340 -0.034 0.000 0.272 538 L C 1.098 177.988 176.870 0.034 0.000 1.161 538 L CA -0.066 54.790 54.840 0.027 0.000 0.845 538 L CB 0.403 42.483 42.059 0.035 0.000 1.119 538 L HN 0.293 nan 8.230 nan 0.000 0.464 539 R N 0.000 120.523 120.500 0.039 0.000 2.786 539 R HA 0.000 4.319 4.340 -0.034 0.000 0.208 539 R CA 0.000 56.131 56.100 0.051 0.000 0.921 539 R CB 0.000 30.334 30.300 0.057 0.000 0.687 539 R HN 0.000 nan 8.270 nan 0.000 0.535