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 2pff_1_D DATA FIRST_RESID 137 DATA SEQUENCE ?????????? ?????????? ?????????? ?????????? ?????????? DATA SEQUENCE ?????????? ?????????? ?????????? ?????????? ?????????? DATA SEQUENCE ?????????? ?????????? ?????????? ?????????? ?????????? DATA SEQUENCE ?????????? ?????????X XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXX??????? ?????????? ?????????? DATA SEQUENCE ?????????? ?????????? ?????????? ?????????? ?????????? DATA SEQUENCE ?????????? ?????????? ?????????? ?????????? ?????????? DATA SEQUENCE ?????????? ?????????? XXXXXXXXX? ?????????? ?????????? DATA SEQUENCE ?????????? ?????????? ?????????? ?????????? ?????????? DATA SEQUENCE ?????????? ?????????? ?????????? ?????????? ?????????? DATA SEQUENCE ?????????? ?????????? ?????????? ????VTFKDK YVLITGAGKG DATA SEQUENCE SIGAEVLQGL LQGGAKVVVT TSRFSKQVTD YYQSIYAKYG AKGSTLIVVP DATA SEQUENCE FNQGSKQDVE ALIEFIYDTE KNGGLGWDLD AIIPFAAIPE QGIELEHIDS DATA SEQUENCE KSEFAHRIML TNILRMMGCV KKQKSARGIE TRPAQVILPM SPNHGTFGGD DATA SEQUENCE GMYSESKLSL ETLFNRWHSE SWANQLTVCG AIIGWTRGTG LMSANNIIAE DATA SEQUENCE GIEKMGVRTF SQKEMAFNLL GLLTPEVVEL CQKSPVMADL NGGLQFVPEL DATA SEQUENCE KEFTAKLRKE LVETSEVRKA VSIETALEHK VVNGNSADAA YAXXXXXPRA DATA SEQUENCE NIQLDFPELK PYKQVKQIAP AELEGLLDLE RVIVVTGFAE VGPWGSARTR DATA SEQUENCE WEMEAFGEFS LEGCVEMAWI MGFISYHNGN LKGRPYTGWV DSKTKEPVDD DATA SEQUENCE KDVKAKYETS ILEHSGIRLI EPELFNGYNP EKKEMIQEVI VEEDLEPFEA DATA SEQUENCE SKETAEQFKH QHGDKVDIFE IPETGEYSVK LLKGATLYIP KALRFDRLVA DATA SEQUENCE GQIPTGWNAK TYGISDDIIS QVDPITLFVL VSVVEAFIAS GITDPYEMYK DATA SEQUENCE YVHVSEVGNC SGSGMGGVSA LRGMFKDRFK DEPVQNDILQ ESFINTMSAW DATA SEQUENCE VNMLLISSSG PIKTPVGACA TSVESVDIGV ETILSGKARI CIVGGYDDFQ DATA SEQUENCE EEGSFEFGNM KATSNTLEEF EHGRTPAEMS RPATTTRNGF MEAQGAGIQI DATA SEQUENCE IMQADLALKM GVPIYGIVAM AATATDKIGR SVPAPGKGIL TTAREHHSSV DATA SEQUENCE KYASPNLNMK YRKRQLVTRE AQIKDWVENE LEALKLEAEE IPSEDQNEFL DATA SEQUENCE LERTREIHNE AESQLRAAQQ QWGNDFYKRD PRIAPLRGAL ATYGLTIDDL DATA SEQUENCE GVASFHGTST KANDKNESAT INEMMKHLGR SEGNPVIGVF QKFLTGHPKG DATA SEQUENCE AAGAWMMNGA LQILNSGIIP GNRNADNVDK ILEQFEYVLY PSKTLKTDGV DATA SEQUENCE RAVSITSFGF GQKGGQAIVV HPDYLYGAIT EDRYNEYVAK VSAREKSAYK DATA SEQUENCE FFHNGMIYNK LFVSKEHAPY TDELEEDVYL DPLARVSKDK KSGSLTFNSK DATA SEQUENCE NIQSKDSY?? ?????????? ?????????? ?????????? ?????????? DATA SEQUENCE ?????????? ?????????? ?????????? ?????????? ?????????? DATA SEQUENCE ?????????? ?????????? ?????????? ?????????? ?????????? DATA SEQUENCE ? 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 137 ? HA 0.000 nan 9999.000 nan 0.000 0.000 137 ? C 0.000 9999.000 9999.000 -0.002 0.000 0.000 137 ? CA 0.000 9999.000 9999.000 -0.002 0.000 0.000 137 ? CB 0.000 9999.000 9999.000 -0.002 0.000 0.000 672 T N 2.304 116.683 114.554 -0.291 0.000 2.849 672 T HA 0.602 4.950 4.350 -0.004 0.000 0.284 672 T C 0.436 174.988 174.700 -0.246 0.000 1.004 672 T CA 0.301 62.263 62.100 -0.230 0.000 1.021 672 T CB 0.654 69.467 68.868 -0.091 0.000 1.013 672 T HN 0.473 nan 8.240 nan 0.000 0.527 673 F N -0.099 119.832 119.950 -0.032 0.000 2.880 673 F HA 0.359 4.884 4.527 -0.003 0.000 0.346 673 F C 1.166 176.927 175.800 -0.064 0.000 1.054 673 F CA -0.806 57.168 58.000 -0.043 0.000 1.151 673 F CB 0.556 39.539 39.000 -0.028 0.000 1.066 673 F HN 0.409 nan 8.300 nan 0.000 0.566 674 K N 2.225 122.700 120.400 0.124 0.000 2.619 674 K HA -0.188 4.130 4.320 -0.004 0.000 0.278 674 K C -0.325 176.242 176.600 -0.055 0.000 0.969 674 K CA 1.170 57.472 56.287 0.025 0.000 1.042 674 K CB 0.063 32.565 32.500 0.003 0.000 0.845 674 K HN 0.230 nan 8.250 nan 0.000 0.497 675 D N 2.789 123.089 120.400 -0.166 0.000 3.187 675 D HA -0.156 4.482 4.640 -0.004 0.000 0.244 675 D C -0.073 176.001 176.300 -0.377 0.000 1.114 675 D CA 0.573 54.355 54.000 -0.363 0.000 0.920 675 D CB -0.032 40.618 40.800 -0.250 0.000 0.970 675 D HN 0.575 nan 8.370 nan 0.000 0.418 676 K N -0.402 119.727 120.400 -0.451 0.000 2.826 676 K HA 0.046 4.364 4.320 -0.004 0.000 0.195 676 K C 0.108 176.570 176.600 -0.230 0.000 1.516 676 K CA 0.186 56.288 56.287 -0.308 0.000 1.213 676 K CB 0.854 33.228 32.500 -0.211 0.000 1.762 676 K HN 0.497 nan 8.250 nan 0.000 0.583 677 Y N 0.761 120.919 120.300 -0.235 0.000 2.619 677 Y HA -0.258 4.290 4.550 -0.003 0.000 0.046 677 Y C -0.448 175.393 175.900 -0.099 0.000 1.802 677 Y CA -0.495 57.455 58.100 -0.250 0.000 1.332 677 Y CB -0.776 37.498 38.460 -0.309 0.000 1.982 677 Y HN -0.201 nan 8.280 nan 0.000 0.272 678 V N 4.395 124.383 119.914 0.124 0.000 3.048 678 V HA 0.535 4.653 4.120 -0.004 0.000 0.303 678 V C -0.781 175.371 176.094 0.097 0.000 1.214 678 V CA -1.105 61.243 62.300 0.080 0.000 0.984 678 V CB 2.015 33.830 31.823 -0.013 0.000 1.054 678 V HN 0.480 nan 8.190 nan 0.000 0.430 679 L N 2.875 124.140 121.223 0.071 0.000 2.334 679 L HA 0.929 5.266 4.340 -0.004 0.000 0.276 679 L C -0.803 176.073 176.870 0.010 0.000 1.014 679 L CA -1.063 53.801 54.840 0.041 0.000 0.815 679 L CB 0.769 42.837 42.059 0.016 0.000 1.268 679 L HN 0.451 nan 8.230 nan 0.000 0.428 680 I N 0.821 121.390 120.570 -0.001 0.000 2.498 680 I HA 0.626 4.794 4.170 -0.004 0.000 0.290 680 I C 1.125 177.247 176.117 0.008 0.000 1.032 680 I CA -0.190 61.106 61.300 -0.006 0.000 1.073 680 I CB 1.733 39.721 38.000 -0.019 0.000 1.251 680 I HN 0.685 nan 8.210 nan 0.000 0.426 681 T N 3.057 117.646 114.554 0.058 0.000 2.735 681 T HA 0.065 4.413 4.350 -0.004 0.000 0.256 681 T C 1.176 175.953 174.700 0.128 0.000 1.042 681 T CA 0.984 63.149 62.100 0.109 0.000 1.147 681 T CB -0.373 68.608 68.868 0.189 0.000 0.865 681 T HN 0.893 nan 8.240 nan 0.000 0.421 682 G N 1.862 110.740 108.800 0.130 0.000 2.241 682 G HA2 0.294 4.252 3.960 -0.004 0.000 0.235 682 G HA3 0.294 4.252 3.960 -0.004 0.000 0.235 682 G C 0.489 175.433 174.900 0.073 0.000 1.127 682 G CA 0.020 45.172 45.100 0.086 0.000 0.867 682 G HN 0.653 nan 8.290 nan 0.000 0.473 683 A N 2.228 125.097 122.820 0.082 0.000 2.474 683 A HA 0.481 4.799 4.320 -0.004 0.000 0.286 683 A C 1.566 179.225 177.584 0.124 0.000 1.196 683 A CA 1.359 53.447 52.037 0.086 0.000 0.924 683 A CB -0.333 18.695 19.000 0.047 0.000 1.120 683 A HN 1.656 nan 8.150 nan 0.000 0.530 684 G N -1.529 107.361 108.800 0.149 0.000 2.930 684 G HA2 0.226 4.184 3.960 -0.004 0.000 0.209 684 G HA3 0.226 4.184 3.960 -0.004 0.000 0.209 684 G C 1.102 176.007 174.900 0.009 0.000 2.018 684 G CA 0.487 45.731 45.100 0.240 0.000 0.751 684 G HN 0.756 nan 8.290 nan 0.000 0.770 685 K N 0.442 120.609 120.400 -0.388 0.000 2.286 685 K HA -0.067 4.251 4.320 -0.004 0.000 0.203 685 K C 2.203 178.688 176.600 -0.192 0.000 1.045 685 K CA 1.457 57.410 56.287 -0.556 0.000 0.935 685 K CB -0.668 31.243 32.500 -0.981 0.000 0.737 685 K HN 0.325 nan 8.250 nan 0.000 0.460 686 G N 0.331 109.059 108.800 -0.121 0.000 2.739 686 G HA2 -0.279 3.679 3.960 -0.004 0.000 0.216 686 G HA3 -0.279 3.679 3.960 -0.004 0.000 0.216 686 G C 0.489 175.371 174.900 -0.029 0.000 1.298 686 G CA 1.294 46.359 45.100 -0.058 0.000 0.804 686 G HN 0.576 nan 8.290 nan 0.000 0.623 687 S N -3.248 112.447 115.700 -0.008 0.000 2.654 687 S HA 0.369 4.837 4.470 -0.004 0.000 0.267 687 S C 0.666 175.267 174.600 0.002 0.000 1.151 687 S CA 0.181 58.384 58.200 0.004 0.000 0.873 687 S CB 0.080 63.283 63.200 0.006 0.000 1.181 687 S HN 1.015 nan 8.310 nan 0.000 0.489 688 I N 0.132 120.709 120.570 0.010 0.000 4.866 688 I HA -0.388 3.780 4.170 -0.004 0.000 0.040 688 I C 2.198 178.284 176.117 -0.052 0.000 0.634 688 I CA 2.125 63.421 61.300 -0.006 0.000 0.370 688 I CB -1.697 36.302 38.000 -0.002 0.000 0.414 688 I HN 1.014 nan 8.210 nan 0.000 0.152 689 G N -0.233 108.496 108.800 -0.118 0.000 2.450 689 G HA2 -0.081 3.877 3.960 -0.004 0.000 0.220 689 G HA3 -0.081 3.877 3.960 -0.004 0.000 0.220 689 G C 1.563 176.427 174.900 -0.060 0.000 1.130 689 G CA 2.073 47.087 45.100 -0.143 0.000 0.760 689 G HN 0.953 nan 8.290 nan 0.000 0.557 690 A N 1.197 124.000 122.820 -0.028 0.000 1.883 690 A HA -0.259 4.059 4.320 -0.004 0.000 0.222 690 A C 2.232 179.789 177.584 -0.046 0.000 1.339 690 A CA 2.363 54.387 52.037 -0.022 0.000 0.692 690 A CB -0.643 18.363 19.000 0.010 0.000 0.845 690 A HN 0.363 nan 8.150 nan 0.000 0.467 691 E N -0.502 119.697 120.200 -0.002 0.000 2.017 691 E HA -0.133 4.214 4.350 -0.004 0.000 0.193 691 E C 2.254 178.883 176.600 0.047 0.000 0.997 691 E CA 1.295 57.718 56.400 0.038 0.000 0.804 691 E CB -1.133 28.617 29.700 0.085 0.000 0.757 691 E HN 0.395 nan 8.360 nan 0.000 0.448 692 V N 2.137 122.068 119.914 0.028 0.000 2.242 692 V HA -0.326 3.792 4.120 -0.004 0.000 0.257 692 V C 2.566 178.677 176.094 0.028 0.000 1.073 692 V CA 2.334 64.646 62.300 0.020 0.000 1.058 692 V CB -0.924 30.858 31.823 -0.068 0.000 0.664 692 V HN 0.188 nan 8.190 nan 0.000 0.451 693 L N 0.068 121.284 121.223 -0.013 0.000 1.970 693 L HA -0.240 4.098 4.340 -0.004 0.000 0.212 693 L C 2.556 179.437 176.870 0.018 0.000 1.071 693 L CA 2.186 57.021 54.840 -0.007 0.000 0.751 693 L CB -1.115 40.916 42.059 -0.047 0.000 0.889 693 L HN 0.420 nan 8.230 nan 0.000 0.432 694 Q N -0.352 119.422 119.800 -0.044 0.000 2.224 694 Q HA -0.258 4.079 4.340 -0.004 0.000 0.213 694 Q C 1.925 178.059 176.000 0.222 0.000 0.998 694 Q CA 1.699 57.507 55.803 0.009 0.000 0.895 694 Q CB -0.780 27.935 28.738 -0.039 0.000 0.926 694 Q HN 0.788 nan 8.270 nan 0.000 0.417 695 G N 1.061 109.970 108.800 0.182 0.000 2.616 695 G HA2 -0.205 3.753 3.960 -0.004 0.000 0.215 695 G HA3 -0.205 3.753 3.960 -0.004 0.000 0.215 695 G C 1.320 176.385 174.900 0.275 0.000 1.284 695 G CA 0.495 45.735 45.100 0.233 0.000 0.823 695 G HN 0.164 nan 8.290 nan 0.000 0.569 696 L N 0.205 121.572 121.223 0.240 0.000 2.151 696 L HA -0.209 4.129 4.340 -0.004 0.000 0.219 696 L C 2.948 179.942 176.870 0.207 0.000 1.083 696 L CA 1.412 56.360 54.840 0.180 0.000 0.782 696 L CB -1.073 40.987 42.059 0.002 0.000 0.891 696 L HN 0.251 nan 8.230 nan 0.000 0.439 697 L N -1.018 120.306 121.223 0.168 0.000 1.993 697 L HA -0.227 4.111 4.340 -0.004 0.000 0.206 697 L C 2.671 179.617 176.870 0.126 0.000 1.074 697 L CA 1.289 56.218 54.840 0.148 0.000 0.746 697 L CB -0.439 41.697 42.059 0.128 0.000 0.896 697 L HN 0.257 nan 8.230 nan 0.000 0.435 698 Q N -0.183 119.701 119.800 0.141 0.000 2.291 698 Q HA -0.154 4.184 4.340 -0.004 0.000 0.206 698 Q C 2.023 178.062 176.000 0.066 0.000 0.976 698 Q CA 1.421 57.264 55.803 0.067 0.000 0.875 698 Q CB -0.159 28.602 28.738 0.039 0.000 0.927 698 Q HN 0.526 nan 8.270 nan 0.000 0.450 699 G N -0.573 108.320 108.800 0.155 0.000 2.440 699 G HA2 -0.099 3.859 3.960 -0.004 0.000 0.218 699 G HA3 -0.099 3.859 3.960 -0.004 0.000 0.218 699 G C 1.032 176.017 174.900 0.142 0.000 1.154 699 G CA 0.779 45.989 45.100 0.183 0.000 0.767 699 G HN 0.666 nan 8.290 nan 0.000 0.552 700 G N -1.372 107.514 108.800 0.144 0.000 2.192 700 G HA2 0.189 4.147 3.960 -0.004 0.000 0.193 700 G HA3 0.189 4.147 3.960 -0.004 0.000 0.193 700 G C 0.739 175.702 174.900 0.104 0.000 0.999 700 G CA 0.852 46.010 45.100 0.097 0.000 0.659 700 G HN 1.295 nan 8.290 nan 0.000 0.503 701 A N 0.001 122.900 122.820 0.132 0.000 2.238 701 A HA 0.654 4.972 4.320 -0.004 0.000 0.276 701 A C 0.636 178.269 177.584 0.081 0.000 1.464 701 A CA 1.052 53.132 52.037 0.072 0.000 0.835 701 A CB 0.218 19.232 19.000 0.023 0.000 1.277 701 A HN 0.553 nan 8.150 nan 0.000 0.534 702 K N -1.190 119.248 120.400 0.063 0.000 2.601 702 K HA 0.575 4.893 4.320 -0.004 0.000 0.249 702 K C -1.895 174.752 176.600 0.078 0.000 0.966 702 K CA -0.344 55.963 56.287 0.032 0.000 0.827 702 K CB 2.178 34.539 32.500 -0.233 0.000 1.178 702 K HN 0.327 nan 8.250 nan 0.000 0.437 703 V N 2.462 122.501 119.914 0.209 0.000 2.914 703 V HA 0.440 4.558 4.120 -0.004 0.000 0.314 703 V C -0.957 175.298 176.094 0.270 0.000 1.084 703 V CA -0.882 61.559 62.300 0.234 0.000 0.963 703 V CB 2.554 34.460 31.823 0.138 0.000 1.025 703 V HN 0.459 nan 8.190 nan 0.000 0.432 704 V N 4.492 124.534 119.914 0.214 0.000 2.326 704 V HA 0.436 4.554 4.120 -0.004 0.000 0.281 704 V C -0.308 175.825 176.094 0.065 0.000 1.015 704 V CA -0.399 61.971 62.300 0.116 0.000 0.823 704 V CB 1.748 33.624 31.823 0.089 0.000 1.009 704 V HN 0.609 nan 8.190 nan 0.000 0.436 705 V N 3.521 123.464 119.914 0.049 0.000 2.617 705 V HA 0.508 4.626 4.120 -0.004 0.000 0.298 705 V C 0.429 176.495 176.094 -0.045 0.000 1.048 705 V CA -0.417 61.906 62.300 0.039 0.000 0.964 705 V CB 1.838 33.752 31.823 0.153 0.000 1.004 705 V HN 0.769 nan 8.190 nan 0.000 0.466 706 T N 2.649 117.188 114.554 -0.026 0.000 2.794 706 T HA 0.551 4.899 4.350 -0.004 0.000 0.280 706 T C -0.279 174.445 174.700 0.039 0.000 0.987 706 T CA -0.191 61.904 62.100 -0.008 0.000 0.993 706 T CB 0.763 69.594 68.868 -0.061 0.000 0.939 706 T HN 0.903 nan 8.240 nan 0.000 0.449 707 T N 3.022 117.610 114.554 0.058 0.000 2.829 707 T HA 0.315 4.663 4.350 -0.004 0.000 0.280 707 T C 1.164 175.944 174.700 0.133 0.000 0.999 707 T CA -0.648 61.477 62.100 0.042 0.000 0.983 707 T CB 1.730 70.548 68.868 -0.083 0.000 0.968 707 T HN 0.456 nan 8.240 nan 0.000 0.446 708 S N 1.308 117.074 115.700 0.109 0.000 2.496 708 S HA 0.111 4.579 4.470 -0.004 0.000 0.224 708 S C 0.932 175.589 174.600 0.095 0.000 0.996 708 S CA 0.734 58.998 58.200 0.107 0.000 0.927 708 S CB 0.003 63.257 63.200 0.091 0.000 0.774 708 S HN 0.589 nan 8.310 nan 0.000 0.524 709 R N -1.666 118.892 120.500 0.096 0.000 3.361 709 R HA 0.761 5.099 4.340 -0.004 0.000 0.188 709 R C -0.882 175.558 176.300 0.234 0.000 1.441 709 R CA -0.565 55.605 56.100 0.118 0.000 0.810 709 R CB 0.230 30.570 30.300 0.068 0.000 1.658 709 R HN 0.194 nan 8.270 nan 0.000 0.483 710 F N -1.705 118.231 119.950 -0.023 0.000 4.174 710 F HA 0.336 4.861 4.527 -0.003 0.000 0.313 710 F C -1.374 174.413 175.800 -0.021 0.000 0.911 710 F CA 0.614 58.593 58.000 -0.034 0.000 0.783 710 F CB 0.670 39.648 39.000 -0.037 0.000 1.823 710 F HN 0.603 nan 8.300 nan 0.000 0.455 711 S N 1.061 117.013 115.700 0.419 0.000 3.386 711 S HA -0.155 4.313 4.470 -0.004 0.000 0.810 711 S C 0.286 174.936 174.600 0.084 0.000 1.062 711 S CA 0.376 58.706 58.200 0.217 0.000 1.151 711 S CB -0.711 62.561 63.200 0.120 0.000 0.758 711 S HN 1.051 nan 8.310 nan 0.000 0.308 712 K N 1.124 121.571 120.400 0.079 0.000 2.293 712 K HA -0.226 4.092 4.320 -0.004 0.000 0.204 712 K C 2.024 178.651 176.600 0.045 0.000 1.045 712 K CA 1.870 58.190 56.287 0.054 0.000 0.933 712 K CB -0.271 32.270 32.500 0.068 0.000 0.736 712 K HN 0.522 nan 8.250 nan 0.000 0.463 713 Q N 0.392 120.218 119.800 0.043 0.000 2.062 713 Q HA -0.166 4.172 4.340 -0.004 0.000 0.209 713 Q C 1.984 178.015 176.000 0.052 0.000 0.996 713 Q CA 1.815 57.641 55.803 0.039 0.000 0.859 713 Q CB -0.201 28.551 28.738 0.024 0.000 0.920 713 Q HN 0.222 nan 8.270 nan 0.000 0.415 714 V N -0.547 119.371 119.914 0.007 0.000 3.125 714 V HA -0.054 4.064 4.120 -0.004 0.000 0.249 714 V C 1.683 177.749 176.094 -0.047 0.000 1.113 714 V CA 1.352 63.666 62.300 0.023 0.000 1.106 714 V CB -0.163 31.585 31.823 -0.126 0.000 0.768 714 V HN 0.257 nan 8.190 nan 0.000 0.468 715 T N -0.058 114.409 114.554 -0.145 0.000 3.228 715 T HA -0.084 4.264 4.350 -0.004 0.000 0.261 715 T C 1.007 175.693 174.700 -0.023 0.000 1.171 715 T CA 1.042 63.058 62.100 -0.140 0.000 1.056 715 T CB -0.228 68.600 68.868 -0.067 0.000 0.938 715 T HN 0.394 nan 8.240 nan 0.000 0.539 716 D N -1.373 119.051 120.400 0.040 0.000 2.399 716 D HA 0.127 4.765 4.640 -0.004 0.000 0.269 716 D C 1.103 177.468 176.300 0.108 0.000 1.105 716 D CA -0.127 53.911 54.000 0.062 0.000 0.844 716 D CB 0.277 41.117 40.800 0.066 0.000 1.372 716 D HN 0.293 nan 8.370 nan 0.000 0.517 717 Y N 1.408 121.738 120.300 0.050 0.000 2.084 717 Y HA -0.187 4.361 4.550 -0.004 0.000 0.279 717 Y C 0.971 176.905 175.900 0.056 0.000 1.119 717 Y CA 1.547 59.678 58.100 0.052 0.000 1.101 717 Y CB -0.678 37.858 38.460 0.127 0.000 0.989 717 Y HN -0.160 nan 8.280 nan 0.000 0.484 718 Y N 1.749 121.944 120.300 -0.176 0.000 2.570 718 Y HA 0.011 4.559 4.550 -0.003 0.000 0.358 718 Y C 1.867 177.675 175.900 -0.152 0.000 1.185 718 Y CA 0.609 58.564 58.100 -0.242 0.000 1.299 718 Y CB -1.183 37.205 38.460 -0.121 0.000 1.219 718 Y HN 0.421 nan 8.280 nan 0.000 0.482 719 Q N 0.252 120.036 119.800 -0.026 0.000 2.363 719 Q HA -0.043 4.295 4.340 -0.004 0.000 0.192 719 Q C 2.292 178.273 176.000 -0.031 0.000 0.994 719 Q CA 1.799 57.599 55.803 -0.005 0.000 0.848 719 Q CB -0.871 27.865 28.738 -0.004 0.000 0.987 719 Q HN 0.168 nan 8.270 nan 0.000 0.559 720 S N 1.054 116.689 115.700 -0.108 0.000 2.359 720 S HA -0.130 4.338 4.470 -0.004 0.000 0.224 720 S C 1.989 176.487 174.600 -0.170 0.000 1.035 720 S CA 1.389 59.508 58.200 -0.134 0.000 1.018 720 S CB -0.791 62.297 63.200 -0.185 0.000 0.876 720 S HN 0.444 nan 8.310 nan 0.000 0.448 721 I N 1.016 121.371 120.570 -0.357 0.000 2.229 721 I HA -0.190 3.977 4.170 -0.004 0.000 0.250 721 I C 2.196 178.161 176.117 -0.252 0.000 1.096 721 I CA 1.455 62.443 61.300 -0.521 0.000 1.358 721 I CB -1.839 35.634 38.000 -0.878 0.000 1.047 721 I HN 0.414 nan 8.210 nan 0.000 0.422 722 Y N 1.852 122.038 120.300 -0.190 0.000 2.586 722 Y HA 0.270 4.818 4.550 -0.003 0.000 0.240 722 Y C 1.736 177.636 175.900 -0.001 0.000 0.998 722 Y CA 0.462 58.524 58.100 -0.063 0.000 1.019 722 Y CB -0.841 37.606 38.460 -0.021 0.000 1.047 722 Y HN 0.049 nan 8.280 nan 0.000 0.468 723 A N 1.872 124.696 122.820 0.008 0.000 2.858 723 A HA 0.019 4.337 4.320 -0.004 0.000 0.290 723 A C 1.018 178.581 177.584 -0.036 0.000 1.683 723 A CA 1.668 53.668 52.037 -0.062 0.000 1.180 723 A CB -1.433 17.629 19.000 0.104 0.000 0.954 723 A HN 0.720 nan 8.150 nan 0.000 0.592 724 K N -0.423 119.952 120.400 -0.042 0.000 1.130 724 K HA -0.044 4.274 4.320 -0.004 0.000 0.075 724 K C -0.436 176.261 176.600 0.161 0.000 2.356 724 K CA 0.452 56.790 56.287 0.085 0.000 0.970 724 K CB -0.130 32.483 32.500 0.188 0.000 2.609 724 K HN 0.502 nan 8.250 nan 0.000 0.319 725 Y N -0.250 119.931 120.300 -0.198 0.000 2.459 725 Y HA 0.346 4.894 4.550 -0.003 0.000 0.271 725 Y C 0.812 176.585 175.900 -0.211 0.000 1.063 725 Y CA 0.107 58.113 58.100 -0.157 0.000 1.216 725 Y CB 0.997 39.388 38.460 -0.116 0.000 1.335 725 Y HN 0.108 nan 8.280 nan 0.000 0.550 726 G N 1.714 110.357 108.800 -0.262 0.000 2.298 726 G HA2 0.379 4.337 3.960 -0.004 0.000 0.263 726 G HA3 0.379 4.337 3.960 -0.004 0.000 0.263 726 G C 0.271 175.005 174.900 -0.278 0.000 1.229 726 G CA 0.365 45.147 45.100 -0.530 0.000 0.976 726 G HN 0.326 nan 8.290 nan 0.000 0.459 727 A N 3.019 125.780 122.820 -0.098 0.000 2.313 727 A HA 0.458 4.776 4.320 -0.004 0.000 0.261 727 A C 1.726 179.298 177.584 -0.020 0.000 1.090 727 A CA 0.205 52.215 52.037 -0.046 0.000 0.807 727 A CB 0.410 19.411 19.000 0.002 0.000 1.055 727 A HN 0.882 nan 8.150 nan 0.000 0.492 728 K N 0.397 120.789 120.400 -0.012 0.000 2.091 728 K HA -0.278 4.040 4.320 -0.004 0.000 0.225 728 K C 1.044 177.668 176.600 0.039 0.000 1.028 728 K CA 2.454 58.746 56.287 0.008 0.000 0.965 728 K CB -0.562 31.942 32.500 0.006 0.000 0.786 728 K HN 0.859 nan 8.250 nan 0.000 0.459 729 G N 0.412 109.241 108.800 0.049 0.000 4.433 729 G HA2 0.278 4.236 3.960 -0.004 0.000 0.304 729 G HA3 0.278 4.236 3.960 -0.004 0.000 0.304 729 G C -0.785 174.179 174.900 0.106 0.000 1.254 729 G CA -0.435 44.709 45.100 0.074 0.000 0.999 729 G HN 0.193 nan 8.290 nan 0.000 0.576 730 S N 0.254 116.044 115.700 0.149 0.000 2.669 730 S HA 0.769 5.237 4.470 -0.004 0.000 0.270 730 S C 0.233 175.035 174.600 0.336 0.000 1.225 730 S CA -0.194 58.140 58.200 0.222 0.000 0.991 730 S CB 1.389 64.726 63.200 0.227 0.000 0.987 730 S HN 0.624 nan 8.310 nan 0.000 0.552 731 T N 0.017 114.764 114.554 0.321 0.000 3.295 731 T HA 0.519 4.867 4.350 -0.004 0.000 0.331 731 T C -1.427 173.376 174.700 0.171 0.000 1.142 731 T CA -0.649 61.570 62.100 0.199 0.000 1.078 731 T CB 0.793 69.792 68.868 0.218 0.000 1.150 731 T HN 0.318 nan 8.240 nan 0.000 0.465 732 L N 3.547 124.726 121.223 -0.073 0.000 2.325 732 L HA 0.729 5.067 4.340 -0.004 0.000 0.281 732 L C -1.232 175.620 176.870 -0.030 0.000 1.004 732 L CA -1.044 53.803 54.840 0.010 0.000 0.823 732 L CB 1.025 43.099 42.059 0.025 0.000 1.236 732 L HN 0.803 nan 8.230 nan 0.000 0.415 733 I N 6.040 126.634 120.570 0.040 0.000 2.355 733 I HA 0.385 4.553 4.170 -0.004 0.000 0.288 733 I C -0.646 175.453 176.117 -0.031 0.000 0.999 733 I CA -0.957 60.328 61.300 -0.025 0.000 1.163 733 I CB 1.704 39.664 38.000 -0.066 0.000 1.316 733 I HN 0.263 nan 8.210 nan 0.000 0.454 734 V N 6.931 126.789 119.914 -0.094 0.000 2.370 734 V HA 0.497 4.615 4.120 -0.004 0.000 0.279 734 V C 0.015 176.026 176.094 -0.139 0.000 1.029 734 V CA -0.632 61.544 62.300 -0.206 0.000 0.870 734 V CB 1.477 33.083 31.823 -0.362 0.000 0.984 734 V HN 0.433 nan 8.190 nan 0.000 0.451 735 V N 6.748 126.603 119.914 -0.099 0.000 2.789 735 V HA 0.549 4.667 4.120 -0.004 0.000 0.311 735 V C -2.374 173.793 176.094 0.122 0.000 1.073 735 V CA -1.746 60.571 62.300 0.028 0.000 0.921 735 V CB 3.207 35.029 31.823 -0.001 0.000 1.009 735 V HN 0.747 nan 8.190 nan 0.000 0.426 736 P HA 0.513 nan 4.420 nan 0.000 0.282 736 P C -1.222 176.250 177.300 0.286 0.000 1.249 736 P CA -0.219 63.082 63.100 0.335 0.000 0.806 736 P CB 1.368 33.245 31.700 0.296 0.000 0.984 737 F N 1.214 121.199 119.950 0.058 0.000 2.740 737 F HA 0.330 4.854 4.527 -0.003 0.000 0.312 737 F C -2.381 173.447 175.800 0.047 0.000 1.121 737 F CA -0.730 57.291 58.000 0.035 0.000 0.977 737 F CB 1.455 40.474 39.000 0.032 0.000 1.265 737 F HN 0.227 nan 8.300 nan 0.000 0.443 738 N N 4.748 122.931 118.700 -0.862 0.000 2.504 738 N HA 0.163 4.901 4.740 -0.004 0.000 0.280 738 N C -0.124 174.799 175.510 -0.977 0.000 1.052 738 N CA -0.291 52.419 53.050 -0.567 0.000 0.887 738 N CB 2.065 40.419 38.487 -0.221 0.000 1.323 738 N HN 1.022 nan 8.380 nan 0.000 0.509 739 Q N 1.600 121.050 119.800 -0.584 0.000 2.522 739 Q HA -0.022 4.316 4.340 -0.004 0.000 0.216 739 Q C 0.793 176.648 176.000 -0.241 0.000 0.986 739 Q CA 0.969 56.622 55.803 -0.250 0.000 0.901 739 Q CB 0.041 28.881 28.738 0.170 0.000 0.954 739 Q HN 0.691 nan 8.270 nan 0.000 0.502 740 G N -0.514 108.124 108.800 -0.271 0.000 2.572 740 G HA2 0.223 4.181 3.960 -0.004 0.000 0.261 740 G HA3 0.223 4.181 3.960 -0.004 0.000 0.261 740 G C -0.798 174.040 174.900 -0.104 0.000 1.197 740 G CA 0.002 44.986 45.100 -0.195 0.000 0.870 740 G HN 0.219 nan 8.290 nan 0.000 0.548 741 S N -0.116 115.558 115.700 -0.042 0.000 3.798 741 S HA -0.194 4.273 4.470 -0.004 0.000 0.351 741 S C 1.745 176.321 174.600 -0.041 0.000 0.789 741 S CA 1.319 59.504 58.200 -0.024 0.000 1.322 741 S CB -0.822 62.377 63.200 -0.001 0.000 1.663 741 S HN 1.235 nan 8.310 nan 0.000 0.521 742 K N 4.582 124.969 120.400 -0.023 0.000 2.471 742 K HA -0.367 3.951 4.320 -0.004 0.000 0.228 742 K C 1.430 178.032 176.600 0.003 0.000 0.710 742 K CA 1.840 58.126 56.287 -0.001 0.000 0.900 742 K CB -1.151 31.349 32.500 -0.000 0.000 0.385 742 K HN 0.802 nan 8.250 nan 0.000 0.972 743 Q N 1.020 120.823 119.800 0.006 0.000 2.687 743 Q HA -0.385 3.953 4.340 -0.004 0.000 0.467 743 Q C 1.750 177.770 176.000 0.034 0.000 0.501 743 Q CA 2.645 58.453 55.803 0.009 0.000 1.020 743 Q CB -1.826 26.906 28.738 -0.010 0.000 1.707 743 Q HN 0.853 nan 8.270 nan 0.000 1.103 744 D N 0.222 120.622 120.400 0.001 0.000 2.248 744 D HA -0.242 4.396 4.640 -0.004 0.000 0.191 744 D C 1.726 178.155 176.300 0.216 0.000 1.013 744 D CA 2.330 56.342 54.000 0.020 0.000 0.883 744 D CB -0.528 40.162 40.800 -0.182 0.000 0.915 744 D HN 0.270 nan 8.370 nan 0.000 0.448 745 V N 1.869 121.907 119.914 0.207 0.000 2.227 745 V HA -0.237 3.881 4.120 -0.004 0.000 0.238 745 V C 2.610 178.827 176.094 0.204 0.000 1.039 745 V CA 1.938 64.463 62.300 0.374 0.000 0.990 745 V CB -0.719 31.235 31.823 0.218 0.000 0.635 745 V HN 0.150 nan 8.190 nan 0.000 0.453 746 E N 0.295 120.558 120.200 0.106 0.000 2.233 746 E HA -0.360 3.988 4.350 -0.004 0.000 0.210 746 E C 2.127 178.771 176.600 0.074 0.000 1.046 746 E CA 1.819 58.254 56.400 0.058 0.000 0.844 746 E CB -0.357 29.360 29.700 0.028 0.000 0.741 746 E HN 0.627 nan 8.360 nan 0.000 0.465 747 A N 0.906 123.788 122.820 0.104 0.000 1.878 747 A HA -0.078 4.240 4.320 -0.004 0.000 0.213 747 A C 2.114 179.803 177.584 0.175 0.000 1.192 747 A CA 0.648 52.757 52.037 0.119 0.000 0.619 747 A CB -0.445 18.613 19.000 0.096 0.000 0.837 747 A HN 0.188 nan 8.150 nan 0.000 0.446 748 L N 0.598 121.943 121.223 0.202 0.000 1.963 748 L HA -0.216 4.122 4.340 -0.004 0.000 0.220 748 L C 2.180 179.149 176.870 0.166 0.000 1.076 748 L CA 1.961 56.914 54.840 0.188 0.000 0.772 748 L CB -0.799 41.316 42.059 0.092 0.000 0.892 748 L HN 0.365 nan 8.230 nan 0.000 0.435 749 I N -0.133 120.503 120.570 0.109 0.000 2.091 749 I HA -0.352 3.816 4.170 -0.004 0.000 0.240 749 I C 2.553 178.747 176.117 0.128 0.000 1.046 749 I CA 1.963 63.323 61.300 0.100 0.000 1.306 749 I CB -1.421 36.597 38.000 0.030 0.000 1.018 749 I HN 0.491 nan 8.210 nan 0.000 0.404 750 E N 1.524 121.776 120.200 0.087 0.000 2.037 750 E HA -0.340 4.008 4.350 -0.004 0.000 0.214 750 E C 2.227 178.901 176.600 0.125 0.000 1.041 750 E CA 2.025 58.471 56.400 0.077 0.000 0.872 750 E CB -1.058 28.690 29.700 0.079 0.000 0.785 750 E HN 0.321 nan 8.360 nan 0.000 0.476 751 F N 0.836 120.802 119.950 0.025 0.000 2.167 751 F HA -0.231 4.294 4.527 -0.004 0.000 0.301 751 F C 1.935 177.714 175.800 -0.035 0.000 1.066 751 F CA 1.930 59.923 58.000 -0.010 0.000 1.285 751 F CB -0.271 38.711 39.000 -0.030 0.000 1.032 751 F HN 0.192 nan 8.300 nan 0.000 0.495 752 I N -1.626 118.835 120.570 -0.182 0.000 2.676 752 I HA -0.257 3.911 4.170 -0.004 0.000 0.259 752 I C 1.402 177.399 176.117 -0.199 0.000 1.194 752 I CA 0.907 62.040 61.300 -0.280 0.000 1.473 752 I CB -0.506 37.501 38.000 0.011 0.000 1.096 752 I HN 0.138 nan 8.210 nan 0.000 0.443 753 Y N -0.298 119.878 120.300 -0.206 0.000 2.558 753 Y HA 0.159 4.707 4.550 -0.004 0.000 0.273 753 Y C 1.239 177.057 175.900 -0.136 0.000 1.100 753 Y CA -0.528 57.502 58.100 -0.118 0.000 1.276 753 Y CB -0.128 38.308 38.460 -0.041 0.000 1.196 753 Y HN -0.018 nan 8.280 nan 0.000 0.527 754 D N 0.858 121.261 120.400 0.005 0.000 2.474 754 D HA -0.059 4.579 4.640 -0.004 0.000 0.232 754 D C 0.009 176.256 176.300 -0.088 0.000 1.177 754 D CA 0.803 54.785 54.000 -0.030 0.000 0.876 754 D CB 0.883 41.666 40.800 -0.029 0.000 1.208 754 D HN 0.063 nan 8.370 nan 0.000 0.464 755 T N 2.466 116.994 114.554 -0.043 0.000 2.918 755 T HA 0.019 4.367 4.350 -0.004 0.000 0.302 755 T C 1.468 176.129 174.700 -0.066 0.000 1.045 755 T CA -0.346 61.725 62.100 -0.047 0.000 1.114 755 T CB 0.695 69.556 68.868 -0.013 0.000 0.965 755 T HN 0.290 nan 8.240 nan 0.000 0.540 756 E N 1.404 121.561 120.200 -0.071 0.000 2.209 756 E HA -0.165 4.183 4.350 -0.004 0.000 0.196 756 E C 1.793 178.377 176.600 -0.026 0.000 0.993 756 E CA 0.967 57.328 56.400 -0.065 0.000 0.819 756 E CB 0.027 29.698 29.700 -0.049 0.000 0.745 756 E HN 0.511 nan 8.360 nan 0.000 0.477 757 K N 0.344 120.736 120.400 -0.014 0.000 2.439 757 K HA -0.010 4.308 4.320 -0.004 0.000 0.197 757 K C 0.913 177.515 176.600 0.003 0.000 1.041 757 K CA 0.485 56.772 56.287 -0.001 0.000 0.970 757 K CB 0.051 32.553 32.500 0.003 0.000 0.773 757 K HN 0.207 nan 8.250 nan 0.000 0.479 758 N N -1.429 117.270 118.700 -0.000 0.000 2.191 758 N HA 0.081 4.818 4.740 -0.004 0.000 0.183 758 N C 1.434 176.959 175.510 0.024 0.000 1.474 758 N CA -0.226 52.831 53.050 0.012 0.000 1.043 758 N CB -0.169 38.324 38.487 0.010 0.000 1.332 758 N HN -0.072 nan 8.380 nan 0.000 0.321 759 G N -0.346 108.476 108.800 0.038 0.000 2.587 759 G HA2 0.256 4.214 3.960 -0.004 0.000 0.217 759 G HA3 0.256 4.214 3.960 -0.004 0.000 0.217 759 G C 0.521 175.460 174.900 0.066 0.000 1.240 759 G CA 1.374 46.538 45.100 0.106 0.000 0.794 759 G HN 0.813 nan 8.290 nan 0.000 0.580 760 G N -2.315 106.404 108.800 -0.133 0.000 2.340 760 G HA2 0.411 4.369 3.960 -0.004 0.000 0.282 760 G HA3 0.411 4.369 3.960 -0.004 0.000 0.282 760 G C -0.256 174.266 174.900 -0.629 0.000 1.312 760 G CA -0.092 44.853 45.100 -0.258 0.000 0.942 760 G HN 1.564 nan 8.290 nan 0.000 0.495 761 L N -0.635 120.167 121.223 -0.702 0.000 3.664 761 L HA -0.009 4.329 4.340 -0.004 0.000 0.560 761 L C 1.099 177.489 176.870 -0.799 0.000 1.285 761 L CA 1.611 55.790 54.840 -1.102 0.000 0.864 761 L CB -1.082 40.113 42.059 -1.440 0.000 1.512 761 L HN 2.261 nan 8.230 nan 0.000 0.853 762 G N 1.734 110.280 108.800 -0.425 0.000 3.090 762 G HA2 0.248 4.206 3.960 -0.004 0.000 0.259 762 G HA3 0.248 4.206 3.960 -0.004 0.000 0.259 762 G C 0.140 175.114 174.900 0.124 0.000 0.797 762 G CA -0.156 44.870 45.100 -0.123 0.000 2.032 762 G HN 0.480 nan 8.290 nan 0.000 0.614 763 W N -0.810 120.256 121.300 -0.390 0.000 3.139 763 W HA 0.546 5.204 4.660 -0.003 0.000 0.399 763 W C 0.556 176.734 176.519 -0.569 0.000 1.484 763 W CA -1.103 55.946 57.345 -0.495 0.000 1.287 763 W CB 0.939 30.001 29.460 -0.663 0.000 1.948 763 W HN 0.200 nan 8.180 nan 0.000 0.668 764 D N -0.889 119.374 120.400 -0.228 0.000 2.399 764 D HA 0.047 4.685 4.640 -0.004 0.000 0.269 764 D C -0.377 175.769 176.300 -0.258 0.000 1.105 764 D CA -0.002 53.770 54.000 -0.381 0.000 0.844 764 D CB 0.770 41.565 40.800 -0.009 0.000 1.372 764 D HN 0.261 nan 8.370 nan 0.000 0.517 765 L N 1.734 122.964 121.223 0.011 0.000 2.728 765 L HA -0.160 4.177 4.340 -0.004 0.000 0.527 765 L C -0.493 176.455 176.870 0.129 0.000 1.002 765 L CA 0.513 55.425 54.840 0.121 0.000 1.273 765 L CB -0.189 41.933 42.059 0.105 0.000 1.435 765 L HN 0.005 nan 8.230 nan 0.000 0.711 766 D N 3.910 124.371 120.400 0.100 0.000 2.398 766 D HA 0.545 5.183 4.640 -0.004 0.000 0.210 766 D C 0.392 176.716 176.300 0.040 0.000 1.094 766 D CA 0.910 54.935 54.000 0.042 0.000 0.839 766 D CB 0.777 41.547 40.800 -0.049 0.000 0.963 766 D HN 0.766 nan 8.370 nan 0.000 0.506 767 A N 0.635 123.486 122.820 0.052 0.000 2.582 767 A HA 0.585 4.903 4.320 -0.004 0.000 0.297 767 A C -1.533 176.083 177.584 0.053 0.000 1.059 767 A CA -0.570 51.490 52.037 0.038 0.000 0.705 767 A CB 1.070 20.057 19.000 -0.022 0.000 1.279 767 A HN 0.025 nan 8.150 nan 0.000 0.404 768 I N 2.180 122.790 120.570 0.067 0.000 2.465 768 I HA 0.500 4.668 4.170 -0.004 0.000 0.291 768 I C -0.541 175.640 176.117 0.107 0.000 1.014 768 I CA -0.389 60.958 61.300 0.078 0.000 1.093 768 I CB 2.041 40.091 38.000 0.084 0.000 1.267 768 I HN 0.656 nan 8.210 nan 0.000 0.431 769 I N 8.451 129.089 120.570 0.114 0.000 2.750 769 I HA 0.366 4.533 4.170 -0.004 0.000 0.279 769 I C -2.330 173.994 176.117 0.345 0.000 1.206 769 I CA -1.995 59.432 61.300 0.212 0.000 1.101 769 I CB 1.340 39.308 38.000 -0.054 0.000 1.431 769 I HN 0.292 nan 8.210 nan 0.000 0.551 770 P HA 0.138 nan 4.420 nan 0.000 0.230 770 P C -0.999 176.511 177.300 0.349 0.000 1.791 770 P CA 0.028 63.304 63.100 0.293 0.000 1.020 770 P CB -0.563 31.204 31.700 0.111 0.000 1.977 771 F N 1.407 121.373 119.950 0.028 0.000 2.350 771 F HA 0.436 4.961 4.527 -0.004 0.000 0.365 771 F C 1.586 177.411 175.800 0.042 0.000 1.122 771 F CA -1.368 56.652 58.000 0.033 0.000 1.139 771 F CB 0.089 39.106 39.000 0.030 0.000 1.220 771 F HN 0.215 nan 8.300 nan 0.000 0.499 772 A N 2.881 125.780 122.820 0.131 0.000 2.748 772 A HA 0.507 4.825 4.320 -0.004 0.000 0.705 772 A C 0.789 178.431 177.584 0.098 0.000 1.002 772 A CA 1.270 53.362 52.037 0.091 0.000 2.322 772 A CB -0.610 18.412 19.000 0.035 0.000 1.310 772 A HN 1.221 nan 8.150 nan 0.000 0.751 773 A N -4.240 118.615 122.820 0.057 0.000 3.269 773 A HA 0.525 4.843 4.320 -0.004 0.000 0.296 773 A C -0.522 177.080 177.584 0.029 0.000 1.061 773 A CA 0.047 52.112 52.037 0.046 0.000 0.577 773 A CB -0.334 18.710 19.000 0.073 0.000 1.557 773 A HN 2.107 nan 8.150 nan 0.000 0.712 774 I N -0.353 120.240 120.570 0.038 0.000 8.905 774 I HA -0.137 4.031 4.170 -0.004 0.000 0.126 774 I C -1.607 174.501 176.117 -0.014 0.000 1.862 774 I CA 0.721 62.049 61.300 0.047 0.000 2.041 774 I CB -1.165 36.905 38.000 0.116 0.000 3.915 774 I HN 0.821 nan 8.210 nan 0.000 0.170 775 P HA 0.062 nan 4.420 nan 0.000 0.224 775 P C -0.784 176.478 177.300 -0.062 0.000 1.190 775 P CA 0.734 63.792 63.100 -0.069 0.000 0.644 775 P CB 0.435 32.107 31.700 -0.047 0.000 0.895 776 E N -1.219 118.962 120.200 -0.031 0.000 7.430 776 E HA -0.013 4.335 4.350 -0.004 0.000 0.193 776 E C -1.100 175.488 176.600 -0.020 0.000 0.907 776 E CA -0.035 56.364 56.400 -0.001 0.000 1.679 776 E CB -1.380 28.332 29.700 0.020 0.000 0.895 776 E HN 0.417 nan 8.360 nan 0.000 0.270 777 Q N -0.223 119.576 119.800 -0.002 0.000 2.340 777 Q HA 0.581 4.919 4.340 -0.004 0.000 0.276 777 Q C 0.539 176.556 176.000 0.028 0.000 1.048 777 Q CA -0.339 55.464 55.803 -0.000 0.000 0.832 777 Q CB 2.209 30.934 28.738 -0.021 0.000 1.373 777 Q HN 0.679 nan 8.270 nan 0.000 0.409 778 G N 1.499 110.325 108.800 0.043 0.000 2.160 778 G HA2 -0.243 3.714 3.960 -0.004 0.000 0.251 778 G HA3 -0.243 3.714 3.960 -0.004 0.000 0.251 778 G C -0.055 174.908 174.900 0.104 0.000 1.008 778 G CA 0.586 45.727 45.100 0.067 0.000 0.724 778 G HN 0.618 nan 8.290 nan 0.000 0.514 779 I N -2.365 118.258 120.570 0.088 0.000 2.437 779 I HA 0.658 4.826 4.170 -0.004 0.000 0.279 779 I C 0.098 176.250 176.117 0.058 0.000 1.028 779 I CA -1.130 60.230 61.300 0.100 0.000 1.142 779 I CB 1.008 39.062 38.000 0.091 0.000 1.266 779 I HN 0.018 nan 8.210 nan 0.000 0.461 780 E N 3.596 123.805 120.200 0.015 0.000 2.359 780 E HA 0.282 4.629 4.350 -0.004 0.000 0.255 780 E C 0.895 177.464 176.600 -0.052 0.000 1.191 780 E CA -0.802 55.585 56.400 -0.022 0.000 0.952 780 E CB 1.942 31.610 29.700 -0.055 0.000 1.152 780 E HN 0.646 nan 8.360 nan 0.000 0.496 781 L N 0.808 122.007 121.223 -0.039 0.000 2.030 781 L HA -0.340 3.998 4.340 -0.004 0.000 0.222 781 L C 1.796 178.622 176.870 -0.074 0.000 1.082 781 L CA 1.767 56.587 54.840 -0.032 0.000 0.785 781 L CB -0.342 41.702 42.059 -0.025 0.000 0.895 781 L HN 0.623 nan 8.230 nan 0.000 0.439 782 E N -0.678 119.422 120.200 -0.167 0.000 1.907 782 E HA -0.242 4.106 4.350 -0.004 0.000 0.234 782 E C 0.449 176.943 176.600 -0.177 0.000 0.881 782 E CA 1.428 57.667 56.400 -0.269 0.000 0.985 782 E CB -0.556 28.748 29.700 -0.660 0.000 0.795 782 E HN 0.487 nan 8.360 nan 0.000 0.595 783 H N 0.249 119.333 119.070 0.024 0.000 3.070 783 H HA 0.080 4.634 4.556 -0.004 0.000 0.313 783 H C 0.756 176.101 175.328 0.028 0.000 0.997 783 H CA 0.884 56.945 56.048 0.022 0.000 1.438 783 H CB 0.822 30.596 29.762 0.020 0.000 1.455 783 H HN 0.400 nan 8.280 nan 0.000 0.575 784 I N 0.975 121.618 120.570 0.120 0.000 5.422 784 I HA -0.052 4.116 4.170 -0.004 0.000 0.352 784 I C -0.254 175.909 176.117 0.076 0.000 1.144 784 I CA -0.138 61.214 61.300 0.087 0.000 1.603 784 I CB 0.409 38.445 38.000 0.060 0.000 1.902 784 I HN 0.551 nan 8.210 nan 0.000 0.651 785 D N 2.566 123.003 120.400 0.062 0.000 2.278 785 D HA 0.163 4.801 4.640 -0.004 0.000 0.234 785 D C 0.977 177.309 176.300 0.054 0.000 1.344 785 D CA 1.002 55.032 54.000 0.050 0.000 0.892 785 D CB 0.292 41.112 40.800 0.035 0.000 1.204 785 D HN 0.666 nan 8.370 nan 0.000 0.489 786 S N -0.926 114.803 115.700 0.048 0.000 3.790 786 S HA -0.469 3.999 4.470 -0.004 0.000 0.628 786 S C 1.301 175.957 174.600 0.093 0.000 2.348 786 S CA 1.055 59.283 58.200 0.048 0.000 3.927 786 S CB -1.480 61.728 63.200 0.014 0.000 0.236 786 S HN 1.004 nan 8.310 nan 0.000 0.953 787 K N 0.236 120.678 120.400 0.069 0.000 2.113 787 K HA -0.340 3.978 4.320 -0.004 0.000 0.224 787 K C 2.357 179.077 176.600 0.200 0.000 0.975 787 K CA 2.935 59.294 56.287 0.120 0.000 0.973 787 K CB -1.083 31.458 32.500 0.068 0.000 0.867 787 K HN 0.570 nan 8.250 nan 0.000 0.470 788 S N 0.071 115.858 115.700 0.144 0.000 2.377 788 S HA -0.265 4.203 4.470 -0.004 0.000 0.224 788 S C 1.796 176.507 174.600 0.186 0.000 1.042 788 S CA 1.954 60.245 58.200 0.152 0.000 1.086 788 S CB -0.449 62.827 63.200 0.126 0.000 0.995 788 S HN 0.492 nan 8.310 nan 0.000 0.428 789 E N 0.259 120.549 120.200 0.150 0.000 2.086 789 E HA -0.246 4.102 4.350 -0.004 0.000 0.205 789 E C 1.740 178.436 176.600 0.161 0.000 1.027 789 E CA 1.596 58.063 56.400 0.112 0.000 0.830 789 E CB -0.360 29.381 29.700 0.068 0.000 0.751 789 E HN 0.432 nan 8.360 nan 0.000 0.456 790 F N 0.990 120.960 119.950 0.033 0.000 2.000 790 F HA -0.256 4.269 4.527 -0.004 0.000 0.296 790 F C 2.142 177.977 175.800 0.058 0.000 1.159 790 F CA 2.075 60.091 58.000 0.027 0.000 1.183 790 F CB -1.289 37.719 39.000 0.014 0.000 0.959 790 F HN 0.155 nan 8.300 nan 0.000 0.490 791 A N 0.429 123.318 122.820 0.115 0.000 1.891 791 A HA -0.436 3.882 4.320 -0.004 0.000 0.221 791 A C 2.348 179.928 177.584 -0.008 0.000 1.394 791 A CA 2.541 54.578 52.037 -0.000 0.000 0.730 791 A CB -2.066 17.005 19.000 0.118 0.000 0.845 791 A HN 0.778 nan 8.150 nan 0.000 0.471 792 H N 0.120 119.177 119.070 -0.021 0.000 2.355 792 H HA -0.261 4.293 4.556 -0.003 0.000 0.282 792 H C 2.210 177.498 175.328 -0.067 0.000 1.131 792 H CA 2.716 58.749 56.048 -0.025 0.000 1.158 792 H CB -0.251 29.510 29.762 -0.002 0.000 1.351 792 H HN 0.609 nan 8.280 nan 0.000 0.469 793 R N 0.140 120.703 120.500 0.105 0.000 2.055 793 R HA -0.040 4.298 4.340 -0.004 0.000 0.226 793 R C 2.839 179.075 176.300 -0.106 0.000 1.135 793 R CA 1.170 57.267 56.100 -0.006 0.000 0.959 793 R CB -0.557 29.697 30.300 -0.077 0.000 0.854 793 R HN 0.423 nan 8.270 nan 0.000 0.431 794 I N 0.675 121.081 120.570 -0.274 0.000 2.567 794 I HA -0.209 3.959 4.170 -0.004 0.000 0.257 794 I C 2.032 178.069 176.117 -0.133 0.000 1.184 794 I CA 1.062 62.183 61.300 -0.298 0.000 1.451 794 I CB 0.181 37.826 38.000 -0.592 0.000 1.089 794 I HN 0.266 nan 8.210 nan 0.000 0.441 795 M N -0.620 118.922 119.600 -0.097 0.000 2.561 795 M HA 0.082 4.560 4.480 -0.004 0.000 0.238 795 M C 0.864 177.128 176.300 -0.060 0.000 1.131 795 M CA 0.747 56.016 55.300 -0.051 0.000 1.046 795 M CB 0.264 32.847 32.600 -0.028 0.000 1.532 795 M HN 0.438 nan 8.290 nan 0.000 0.497 796 L N -6.302 114.895 121.223 -0.044 0.000 1.848 796 L HA 0.326 4.664 4.340 -0.004 0.000 0.113 796 L C 1.292 178.147 176.870 -0.024 0.000 1.456 796 L CA -0.024 54.791 54.840 -0.041 0.000 1.065 796 L CB -0.677 41.355 42.059 -0.045 0.000 2.149 796 L HN -0.195 nan 8.230 nan 0.000 0.462 797 T N 2.029 116.584 114.554 0.002 0.000 2.238 797 T HA -0.252 4.096 4.350 -0.004 0.000 0.209 797 T C 1.513 176.197 174.700 -0.026 0.000 1.608 797 T CA 2.980 65.074 62.100 -0.009 0.000 1.140 797 T CB -0.960 67.903 68.868 -0.008 0.000 0.854 797 T HN 0.611 nan 8.240 nan 0.000 0.402 798 N N 1.645 120.331 118.700 -0.024 0.000 2.089 798 N HA -0.161 4.577 4.740 -0.004 0.000 0.198 798 N C 1.984 177.494 175.510 0.000 0.000 1.017 798 N CA 1.823 54.869 53.050 -0.006 0.000 0.880 798 N CB -0.815 37.679 38.487 0.012 0.000 1.042 798 N HN 0.511 nan 8.380 nan 0.000 0.446 799 I N 1.469 122.038 120.570 -0.001 0.000 2.113 799 I HA -0.300 3.868 4.170 -0.004 0.000 0.242 799 I C 2.340 178.429 176.117 -0.045 0.000 1.064 799 I CA 1.108 62.403 61.300 -0.009 0.000 1.320 799 I CB -0.602 37.383 38.000 -0.025 0.000 1.028 799 I HN 0.079 nan 8.210 nan 0.000 0.406 800 L N 0.529 121.714 121.223 -0.063 0.000 1.951 800 L HA -0.294 4.044 4.340 -0.004 0.000 0.222 800 L C 2.742 179.540 176.870 -0.121 0.000 1.078 800 L CA 2.156 56.933 54.840 -0.105 0.000 0.778 800 L CB -1.458 40.549 42.059 -0.088 0.000 0.893 800 L HN 0.301 nan 8.230 nan 0.000 0.436 801 R N -0.851 119.599 120.500 -0.084 0.000 2.119 801 R HA -0.223 4.115 4.340 -0.004 0.000 0.246 801 R C 2.454 178.713 176.300 -0.068 0.000 1.146 801 R CA 1.726 57.781 56.100 -0.075 0.000 0.962 801 R CB -0.201 30.075 30.300 -0.040 0.000 0.863 801 R HN 0.285 nan 8.270 nan 0.000 0.442 802 M N -0.286 119.293 119.600 -0.035 0.000 2.163 802 M HA -0.339 4.139 4.480 -0.004 0.000 0.258 802 M C 2.317 178.585 176.300 -0.053 0.000 1.071 802 M CA 2.192 57.483 55.300 -0.014 0.000 1.093 802 M CB -0.325 32.281 32.600 0.009 0.000 1.285 802 M HN 0.295 nan 8.290 nan 0.000 0.420 803 M N -0.757 118.790 119.600 -0.089 0.000 2.082 803 M HA -0.181 4.297 4.480 -0.004 0.000 0.258 803 M C 2.236 178.424 176.300 -0.186 0.000 1.071 803 M CA 1.973 57.190 55.300 -0.138 0.000 1.103 803 M CB -1.445 31.013 32.600 -0.236 0.000 1.307 803 M HN 0.492 nan 8.290 nan 0.000 0.409 804 G N 0.458 109.122 108.800 -0.227 0.000 2.719 804 G HA2 -0.317 3.641 3.960 -0.004 0.000 0.219 804 G HA3 -0.317 3.641 3.960 -0.004 0.000 0.219 804 G C 1.497 176.304 174.900 -0.156 0.000 1.234 804 G CA 1.626 46.594 45.100 -0.220 0.000 0.788 804 G HN 0.560 nan 8.290 nan 0.000 0.619 805 C N -0.107 119.123 119.300 -0.117 0.000 2.385 805 C HA -0.090 4.368 4.460 -0.004 0.000 0.275 805 C C 3.135 178.032 174.990 -0.155 0.000 1.207 805 C CA 0.997 59.947 59.018 -0.114 0.000 1.760 805 C CB -1.321 26.373 27.740 -0.077 0.000 2.051 805 C HN 0.336 nan 8.230 nan 0.000 0.467 806 V N 1.835 121.679 119.914 -0.117 0.000 2.332 806 V HA -0.253 3.865 4.120 -0.004 0.000 0.248 806 V C 2.627 178.665 176.094 -0.094 0.000 1.055 806 V CA 2.134 64.375 62.300 -0.099 0.000 1.038 806 V CB -0.859 30.980 31.823 0.027 0.000 0.651 806 V HN 0.513 nan 8.190 nan 0.000 0.450 807 K N 1.305 121.655 120.400 -0.084 0.000 1.977 807 K HA -0.285 4.033 4.320 -0.004 0.000 0.218 807 K C 2.198 178.761 176.600 -0.063 0.000 1.051 807 K CA 2.502 58.759 56.287 -0.051 0.000 0.953 807 K CB -0.535 31.895 32.500 -0.115 0.000 0.727 807 K HN 0.354 nan 8.250 nan 0.000 0.445 808 K N 1.091 121.433 120.400 -0.097 0.000 1.988 808 K HA -0.251 4.067 4.320 -0.004 0.000 0.221 808 K C 2.267 178.792 176.600 -0.125 0.000 1.053 808 K CA 2.366 58.598 56.287 -0.092 0.000 0.959 808 K CB -0.946 31.495 32.500 -0.097 0.000 0.728 808 K HN 0.235 nan 8.250 nan 0.000 0.447 809 Q N 0.621 120.285 119.800 -0.227 0.000 2.105 809 Q HA -0.272 4.065 4.340 -0.004 0.000 0.217 809 Q C 1.789 177.645 176.000 -0.241 0.000 1.029 809 Q CA 2.636 58.206 55.803 -0.388 0.000 0.899 809 Q CB -0.243 27.953 28.738 -0.902 0.000 1.000 809 Q HN 0.443 nan 8.270 nan 0.000 0.414 810 K N -1.006 119.316 120.400 -0.130 0.000 1.965 810 K HA -0.085 4.233 4.320 -0.004 0.000 0.214 810 K C 2.163 178.785 176.600 0.037 0.000 1.042 810 K CA 1.159 57.486 56.287 0.066 0.000 0.950 810 K CB -0.733 31.846 32.500 0.132 0.000 0.733 810 K HN 0.230 nan 8.250 nan 0.000 0.441 811 S N 0.750 116.465 115.700 0.025 0.000 2.432 811 S HA -0.308 4.160 4.470 -0.004 0.000 0.243 811 S C 1.840 176.445 174.600 0.010 0.000 1.069 811 S CA 1.562 59.775 58.200 0.022 0.000 1.047 811 S CB -0.382 62.828 63.200 0.016 0.000 0.854 811 S HN 0.411 nan 8.310 nan 0.000 0.474 812 A N 1.915 124.729 122.820 -0.010 0.000 1.829 812 A HA -0.138 4.180 4.320 -0.004 0.000 0.216 812 A C 2.189 179.780 177.584 0.011 0.000 1.207 812 A CA 1.738 53.769 52.037 -0.011 0.000 0.622 812 A CB -0.950 18.028 19.000 -0.035 0.000 0.846 812 A HN 0.677 nan 8.150 nan 0.000 0.447 813 R N -1.494 119.023 120.500 0.028 0.000 2.097 813 R HA -0.006 4.332 4.340 -0.004 0.000 0.236 813 R C 1.432 177.757 176.300 0.042 0.000 1.135 813 R CA 1.416 57.543 56.100 0.045 0.000 0.934 813 R CB -0.379 29.967 30.300 0.077 0.000 0.846 813 R HN 0.850 nan 8.270 nan 0.000 0.431 814 G N -0.999 107.831 108.800 0.050 0.000 3.216 814 G HA2 -0.046 3.912 3.960 -0.004 0.000 0.221 814 G HA3 -0.046 3.912 3.960 -0.004 0.000 0.221 814 G C 0.024 174.956 174.900 0.053 0.000 0.949 814 G CA -0.691 44.434 45.100 0.043 0.000 0.952 814 G HN 0.040 nan 8.290 nan 0.000 0.657 815 I N 2.032 122.645 120.570 0.072 0.000 3.309 815 I HA 0.132 4.300 4.170 -0.004 0.000 0.287 815 I C 1.140 177.302 176.117 0.076 0.000 1.221 815 I CA 0.273 61.623 61.300 0.083 0.000 1.575 815 I CB -0.983 37.093 38.000 0.126 0.000 1.254 815 I HN 0.306 nan 8.210 nan 0.000 0.600 816 E N 1.175 121.408 120.200 0.056 0.000 2.403 816 E HA 0.005 4.353 4.350 -0.004 0.000 0.187 816 E C 0.766 177.393 176.600 0.044 0.000 1.073 816 E CA 0.178 56.606 56.400 0.048 0.000 0.888 816 E CB 0.251 29.969 29.700 0.031 0.000 1.035 816 E HN 0.495 nan 8.360 nan 0.000 0.471 817 T N -1.670 112.913 114.554 0.050 0.000 3.584 817 T HA 0.331 4.679 4.350 -0.004 0.000 0.259 817 T C 0.092 174.822 174.700 0.050 0.000 1.009 817 T CA -0.748 61.379 62.100 0.045 0.000 1.103 817 T CB 0.036 68.924 68.868 0.034 0.000 1.099 817 T HN 0.054 nan 8.240 nan 0.000 0.539 818 R N 1.006 121.545 120.500 0.065 0.000 2.447 818 R HA 0.156 4.494 4.340 -0.004 0.000 0.153 818 R C -3.001 173.353 176.300 0.089 0.000 1.142 818 R CA -0.599 55.539 56.100 0.063 0.000 0.926 818 R CB 0.448 30.778 30.300 0.049 0.000 1.295 818 R HN 0.333 nan 8.270 nan 0.000 0.683 819 P HA 0.088 nan 4.420 nan 0.000 0.272 819 P C -0.663 176.720 177.300 0.138 0.000 1.243 819 P CA 0.036 63.224 63.100 0.148 0.000 0.803 819 P CB 0.752 32.563 31.700 0.185 0.000 0.974 820 A N 0.100 123.018 122.820 0.163 0.000 2.365 820 A HA 0.384 4.702 4.320 -0.004 0.000 0.318 820 A C -0.122 177.550 177.584 0.147 0.000 1.091 820 A CA -0.721 51.397 52.037 0.135 0.000 0.763 820 A CB 0.977 20.062 19.000 0.141 0.000 1.248 820 A HN 0.582 nan 8.150 nan 0.000 0.442 821 Q N 0.586 120.447 119.800 0.102 0.000 2.306 821 Q HA 0.550 4.888 4.340 -0.004 0.000 0.241 821 Q C -1.285 174.774 176.000 0.097 0.000 0.948 821 Q CA -0.209 55.651 55.803 0.095 0.000 0.886 821 Q CB 1.024 29.793 28.738 0.052 0.000 1.227 821 Q HN 0.527 nan 8.270 nan 0.000 0.457 822 V N 5.719 125.692 119.914 0.099 0.000 2.443 822 V HA 0.178 4.296 4.120 -0.004 0.000 0.272 822 V C -0.048 176.094 176.094 0.079 0.000 1.002 822 V CA -0.521 61.835 62.300 0.094 0.000 0.840 822 V CB 0.768 32.648 31.823 0.096 0.000 1.042 822 V HN 0.733 nan 8.190 nan 0.000 0.446 823 I N 2.817 123.459 120.570 0.121 0.000 2.906 823 I HA 0.102 4.270 4.170 -0.004 0.000 0.312 823 I C 0.352 176.543 176.117 0.122 0.000 1.169 823 I CA 0.188 61.584 61.300 0.159 0.000 2.267 823 I CB -0.644 37.501 38.000 0.241 0.000 1.624 823 I HN 0.383 nan 8.210 nan 0.000 1.067 824 L N 6.457 127.671 121.223 -0.015 0.000 2.654 824 L HA 0.136 4.474 4.340 -0.004 0.000 0.271 824 L C -1.723 174.997 176.870 -0.251 0.000 1.169 824 L CA -1.339 53.407 54.840 -0.157 0.000 0.947 824 L CB -0.585 41.365 42.059 -0.182 0.000 1.232 824 L HN 0.312 nan 8.230 nan 0.000 0.486 825 P HA 0.043 nan 4.420 nan 0.000 0.264 825 P C -0.310 176.826 177.300 -0.272 0.000 1.229 825 P CA 0.178 62.932 63.100 -0.577 0.000 0.780 825 P CB 0.734 31.689 31.700 -1.242 0.000 0.808 826 M N 1.679 121.207 119.600 -0.121 0.000 2.371 826 M HA 0.366 4.844 4.480 -0.004 0.000 0.301 826 M C 0.739 176.980 176.300 -0.099 0.000 1.173 826 M CA -0.411 54.850 55.300 -0.063 0.000 1.020 826 M CB 1.002 33.627 32.600 0.041 0.000 1.490 826 M HN 0.241 nan 8.290 nan 0.000 0.485 827 S N 0.752 116.356 115.700 -0.161 0.000 2.521 827 S HA 0.584 5.052 4.470 -0.004 0.000 0.295 827 S C -2.095 172.216 174.600 -0.482 0.000 1.098 827 S CA -1.493 56.524 58.200 -0.305 0.000 0.999 827 S CB 1.814 64.729 63.200 -0.475 0.000 1.034 827 S HN 0.477 nan 8.310 nan 0.000 0.483 828 P HA 0.135 nan 4.420 nan 0.000 0.224 828 P C -0.439 176.719 177.300 -0.236 0.000 1.159 828 P CA 0.431 63.415 63.100 -0.194 0.000 0.824 828 P CB 0.124 31.825 31.700 0.002 0.000 0.833 829 N N 1.059 119.653 118.700 -0.177 0.000 3.012 829 N HA 0.108 4.846 4.740 -0.004 0.000 0.270 829 N C -0.286 175.264 175.510 0.067 0.000 1.469 829 N CA -0.241 52.844 53.050 0.057 0.000 0.928 829 N CB -0.081 38.613 38.487 0.346 0.000 1.219 829 N HN 0.493 nan 8.380 nan 0.000 0.492 830 H N -1.417 117.680 119.070 0.045 0.000 2.594 830 H HA 0.431 4.984 4.556 -0.004 0.000 0.304 830 H C 1.006 176.352 175.328 0.030 0.000 1.068 830 H CA -0.713 55.323 56.048 -0.020 0.000 1.308 830 H CB 1.370 31.068 29.762 -0.107 0.000 1.409 830 H HN 0.471 nan 8.280 nan 0.000 0.460 831 G N 3.068 111.978 108.800 0.183 0.000 2.195 831 G HA2 -0.385 3.573 3.960 -0.004 0.000 0.246 831 G HA3 -0.385 3.573 3.960 -0.004 0.000 0.246 831 G C 0.969 175.969 174.900 0.166 0.000 0.984 831 G CA 0.499 45.679 45.100 0.134 0.000 0.633 831 G HN 0.601 nan 8.290 nan 0.000 0.525 832 T N 1.040 115.735 114.554 0.234 0.000 2.496 832 T HA 0.153 4.500 4.350 -0.004 0.000 0.254 832 T C 1.768 176.621 174.700 0.255 0.000 1.161 832 T CA 1.653 63.899 62.100 0.244 0.000 1.231 832 T CB -0.330 68.733 68.868 0.325 0.000 0.866 832 T HN 0.231 nan 8.240 nan 0.000 0.396 833 F N 0.909 120.907 119.950 0.081 0.000 2.057 833 F HA 0.218 4.743 4.527 -0.004 0.000 0.307 833 F C 2.120 177.956 175.800 0.061 0.000 1.537 833 F CA 1.316 59.360 58.000 0.073 0.000 1.212 833 F CB -1.139 37.900 39.000 0.066 0.000 0.907 833 F HN 0.381 nan 8.300 nan 0.000 0.566 834 G N -1.850 107.141 108.800 0.319 0.000 3.088 834 G HA2 0.382 4.340 3.960 -0.004 0.000 0.197 834 G HA3 0.382 4.340 3.960 -0.004 0.000 0.197 834 G C 0.392 175.371 174.900 0.131 0.000 1.611 834 G CA -0.012 45.191 45.100 0.173 0.000 0.771 834 G HN 0.709 nan 8.290 nan 0.000 0.789 835 G N 1.134 109.995 108.800 0.103 0.000 2.764 835 G HA2 0.228 4.186 3.960 -0.004 0.000 0.278 835 G HA3 0.228 4.186 3.960 -0.004 0.000 0.278 835 G C 0.619 175.559 174.900 0.067 0.000 0.686 835 G CA 0.635 45.781 45.100 0.076 0.000 2.105 835 G HN 0.403 nan 8.290 nan 0.000 0.562 836 D N 1.618 122.067 120.400 0.081 0.000 2.137 836 D HA 0.057 4.695 4.640 -0.004 0.000 0.202 836 D C 1.842 178.194 176.300 0.087 0.000 0.970 836 D CA 1.777 55.828 54.000 0.085 0.000 0.837 836 D CB 0.135 41.006 40.800 0.119 0.000 0.981 836 D HN 0.521 nan 8.370 nan 0.000 0.475 837 G N 0.496 109.344 108.800 0.080 0.000 4.045 837 G HA2 -0.253 3.705 3.960 -0.004 0.000 0.261 837 G HA3 -0.253 3.705 3.960 -0.004 0.000 0.261 837 G C 0.772 175.727 174.900 0.090 0.000 1.772 837 G CA 0.412 45.562 45.100 0.083 0.000 1.264 837 G HN 0.364 nan 8.290 nan 0.000 0.609 838 M N -0.576 119.083 119.600 0.099 0.000 2.722 838 M HA 0.263 4.741 4.480 -0.004 0.000 0.451 838 M C 1.003 177.299 176.300 -0.006 0.000 1.225 838 M CA 0.025 55.360 55.300 0.058 0.000 0.874 838 M CB 1.052 33.736 32.600 0.139 0.000 1.736 838 M HN 0.420 nan 8.290 nan 0.000 0.584 839 Y N 1.799 122.063 120.300 -0.060 0.000 2.333 839 Y HA -0.182 4.366 4.550 -0.004 0.000 0.290 839 Y C 2.159 178.014 175.900 -0.074 0.000 1.144 839 Y CA 1.962 60.011 58.100 -0.085 0.000 1.228 839 Y CB -0.109 38.297 38.460 -0.089 0.000 0.985 839 Y HN 0.342 nan 8.280 nan 0.000 0.542 840 S N 0.076 115.670 115.700 -0.177 0.000 2.341 840 S HA -0.166 4.302 4.470 -0.004 0.000 0.204 840 S C 1.693 176.182 174.600 -0.186 0.000 1.038 840 S CA 0.949 59.042 58.200 -0.179 0.000 1.013 840 S CB -0.880 62.314 63.200 -0.009 0.000 0.994 840 S HN 0.395 nan 8.310 nan 0.000 0.430 841 E N 2.031 122.149 120.200 -0.136 0.000 2.236 841 E HA -0.137 4.211 4.350 -0.004 0.000 0.205 841 E C 2.197 178.618 176.600 -0.298 0.000 1.028 841 E CA 1.561 57.864 56.400 -0.161 0.000 0.827 841 E CB -0.717 28.938 29.700 -0.075 0.000 0.735 841 E HN 0.502 nan 8.360 nan 0.000 0.470 842 S N 0.175 115.621 115.700 -0.423 0.000 2.349 842 S HA -0.154 4.314 4.470 -0.004 0.000 0.216 842 S C 1.689 176.124 174.600 -0.276 0.000 1.033 842 S CA 1.014 58.937 58.200 -0.462 0.000 1.021 842 S CB -0.130 62.865 63.200 -0.343 0.000 0.968 842 S HN 0.121 nan 8.310 nan 0.000 0.426 843 K N 1.251 121.477 120.400 -0.291 0.000 1.980 843 K HA -0.125 4.193 4.320 -0.004 0.000 0.223 843 K C 2.131 178.677 176.600 -0.091 0.000 1.052 843 K CA 1.159 57.312 56.287 -0.223 0.000 0.974 843 K CB -1.423 30.860 32.500 -0.361 0.000 0.734 843 K HN 0.289 nan 8.250 nan 0.000 0.447 844 L N 1.827 123.039 121.223 -0.018 0.000 2.095 844 L HA -0.344 3.994 4.340 -0.004 0.000 0.229 844 L C 2.138 178.970 176.870 -0.062 0.000 1.097 844 L CA 2.318 57.114 54.840 -0.074 0.000 0.813 844 L CB -1.138 40.780 42.059 -0.235 0.000 0.907 844 L HN 0.187 nan 8.230 nan 0.000 0.445 845 S N -0.522 115.130 115.700 -0.081 0.000 2.365 845 S HA -0.226 4.242 4.470 -0.004 0.000 0.225 845 S C 1.926 176.502 174.600 -0.040 0.000 1.039 845 S CA 1.685 59.856 58.200 -0.048 0.000 1.033 845 S CB -0.639 62.534 63.200 -0.045 0.000 0.887 845 S HN 0.556 nan 8.310 nan 0.000 0.447 846 L N 1.085 122.265 121.223 -0.072 0.000 2.198 846 L HA -0.290 4.047 4.340 -0.004 0.000 0.218 846 L C 2.398 179.187 176.870 -0.135 0.000 1.084 846 L CA 1.508 56.284 54.840 -0.107 0.000 0.779 846 L CB -0.649 41.331 42.059 -0.131 0.000 0.890 846 L HN 0.380 nan 8.230 nan 0.000 0.439 847 E N -0.978 119.210 120.200 -0.021 0.000 2.265 847 E HA -0.167 4.180 4.350 -0.004 0.000 0.196 847 E C 1.985 178.668 176.600 0.139 0.000 0.996 847 E CA 1.461 57.942 56.400 0.136 0.000 0.832 847 E CB -0.018 29.834 29.700 0.254 0.000 0.756 847 E HN 0.468 nan 8.360 nan 0.000 0.491 848 T N 1.009 115.598 114.554 0.059 0.000 2.759 848 T HA -0.158 4.190 4.350 -0.004 0.000 0.269 848 T C 1.756 176.511 174.700 0.092 0.000 1.042 848 T CA 0.733 62.884 62.100 0.086 0.000 1.140 848 T CB -0.208 68.694 68.868 0.057 0.000 0.864 848 T HN 0.159 nan 8.240 nan 0.000 0.455 849 L N -0.150 121.069 121.223 -0.007 0.000 2.270 849 L HA -0.154 4.184 4.340 -0.004 0.000 0.217 849 L C 2.041 178.925 176.870 0.024 0.000 1.107 849 L CA 1.332 56.176 54.840 0.007 0.000 0.772 849 L CB -0.549 41.424 42.059 -0.142 0.000 0.902 849 L HN 0.308 nan 8.230 nan 0.000 0.439 850 F N -0.556 119.454 119.950 0.101 0.000 2.128 850 F HA -0.141 4.384 4.527 -0.003 0.000 0.295 850 F C 2.325 178.154 175.800 0.048 0.000 1.100 850 F CA 0.863 58.885 58.000 0.035 0.000 1.260 850 F CB -0.189 38.817 39.000 0.010 0.000 1.009 850 F HN 0.143 nan 8.300 nan 0.000 0.476 851 N N -0.044 118.827 118.700 0.286 0.000 2.494 851 N HA -0.037 4.701 4.740 -0.004 0.000 0.182 851 N C 1.821 177.460 175.510 0.215 0.000 1.076 851 N CA 0.329 53.523 53.050 0.239 0.000 0.908 851 N CB -0.116 38.488 38.487 0.195 0.000 0.967 851 N HN 0.232 nan 8.380 nan 0.000 0.449 852 R N 0.438 121.076 120.500 0.230 0.000 2.070 852 R HA -0.114 4.224 4.340 -0.004 0.000 0.227 852 R C 1.764 178.150 176.300 0.142 0.000 1.147 852 R CA 0.742 57.020 56.100 0.296 0.000 0.924 852 R CB -1.122 29.470 30.300 0.485 0.000 0.827 852 R HN 0.285 nan 8.270 nan 0.000 0.431 853 W N 1.909 123.058 121.300 -0.252 0.000 2.233 853 W HA -0.252 4.406 4.660 -0.004 0.000 0.306 853 W C 0.270 176.406 176.519 -0.639 0.000 1.260 853 W CA 1.738 58.582 57.345 -0.836 0.000 1.276 853 W CB -0.145 28.917 29.460 -0.663 0.000 1.127 853 W HN 0.199 nan 8.180 nan 0.000 0.530 854 H N -0.636 118.450 119.070 0.026 0.000 2.467 854 H HA 0.316 4.870 4.556 -0.004 0.000 0.326 854 H C 1.221 176.511 175.328 -0.064 0.000 1.094 854 H CA 0.408 56.443 56.048 -0.022 0.000 1.253 854 H CB 1.522 31.349 29.762 0.109 0.000 1.439 854 H HN 0.079 nan 8.280 nan 0.000 0.479 855 S N 1.769 117.475 115.700 0.010 0.000 1.358 855 S HA -0.184 4.284 4.470 -0.004 0.000 0.249 855 S C 0.093 174.682 174.600 -0.017 0.000 0.679 855 S CA 0.477 58.681 58.200 0.007 0.000 1.114 855 S CB -1.389 61.848 63.200 0.062 0.000 1.217 855 S HN 0.579 nan 8.310 nan 0.000 0.495 856 E N 3.177 123.364 120.200 -0.021 0.000 2.167 856 E HA 0.488 4.835 4.350 -0.004 0.000 0.284 856 E C 0.049 176.629 176.600 -0.032 0.000 1.016 856 E CA 0.214 56.684 56.400 0.116 0.000 0.817 856 E CB 1.289 31.285 29.700 0.494 0.000 1.080 856 E HN 0.622 nan 8.360 nan 0.000 0.397 857 S N 5.285 121.022 115.700 0.062 0.000 2.671 857 S HA -0.021 4.447 4.470 -0.004 0.000 0.331 857 S C 0.210 174.904 174.600 0.155 0.000 1.182 857 S CA -0.427 57.773 58.200 0.001 0.000 1.276 857 S CB -0.556 62.658 63.200 0.023 0.000 1.360 857 S HN 0.831 nan 8.310 nan 0.000 0.563 858 W N 0.472 121.646 121.300 -0.211 0.000 0.594 858 W HA 0.325 4.983 4.660 -0.003 0.000 0.138 858 W C 0.288 176.646 176.519 -0.269 0.000 0.613 858 W CA -0.130 57.105 57.345 -0.183 0.000 0.410 858 W CB -0.696 28.690 29.460 -0.123 0.000 0.698 858 W HN 0.606 nan 8.180 nan 0.000 0.351 859 A N 1.712 124.088 122.820 -0.740 0.000 2.239 859 A HA -0.040 4.277 4.320 -0.004 0.000 0.209 859 A C 1.460 178.884 177.584 -0.267 0.000 1.171 859 A CA 1.105 52.514 52.037 -1.046 0.000 0.768 859 A CB -0.658 17.079 19.000 -2.104 0.000 0.790 859 A HN 0.338 nan 8.150 nan 0.000 0.478 860 N N -0.224 118.406 118.700 -0.118 0.000 2.270 860 N HA -0.014 4.724 4.740 -0.004 0.000 0.198 860 N C 0.749 176.311 175.510 0.087 0.000 1.117 860 N CA 0.538 53.592 53.050 0.006 0.000 0.845 860 N CB 0.422 38.902 38.487 -0.012 0.000 0.980 860 N HN 0.756 nan 8.380 nan 0.000 0.486 861 Q N -0.672 119.217 119.800 0.147 0.000 2.330 861 Q HA 0.258 4.596 4.340 -0.004 0.000 0.254 861 Q C 0.421 176.570 176.000 0.249 0.000 0.777 861 Q CA 0.251 56.164 55.803 0.182 0.000 0.972 861 Q CB 1.602 30.439 28.738 0.165 0.000 1.236 861 Q HN 0.100 nan 8.270 nan 0.000 0.508 862 L N 1.577 123.023 121.223 0.370 0.000 2.341 862 L HA 0.678 5.016 4.340 -0.004 0.000 0.267 862 L C -0.853 176.368 176.870 0.586 0.000 1.009 862 L CA -0.559 54.567 54.840 0.477 0.000 0.819 862 L CB 2.420 44.881 42.059 0.669 0.000 1.323 862 L HN -0.126 nan 8.230 nan 0.000 0.425 863 T N 0.955 115.787 114.554 0.464 0.000 2.965 863 T HA 0.340 4.688 4.350 -0.004 0.000 0.306 863 T C 0.030 174.813 174.700 0.138 0.000 0.991 863 T CA -0.370 61.936 62.100 0.343 0.000 1.001 863 T CB 1.702 70.677 68.868 0.178 0.000 0.984 863 T HN 0.164 nan 8.240 nan 0.000 0.446 864 V N 1.595 121.496 119.914 -0.022 0.000 3.566 864 V HA 0.355 4.473 4.120 -0.004 0.000 0.301 864 V C 0.815 176.885 176.094 -0.040 0.000 1.105 864 V CA -0.315 61.955 62.300 -0.050 0.000 1.142 864 V CB 1.054 32.793 31.823 -0.139 0.000 1.107 864 V HN 1.135 nan 8.190 nan 0.000 0.481 865 C N 1.953 121.280 119.300 0.045 0.000 3.001 865 C HA 0.451 4.909 4.460 -0.004 0.000 0.365 865 C C 0.592 175.685 174.990 0.172 0.000 1.050 865 C CA -0.480 58.612 59.018 0.123 0.000 1.345 865 C CB -0.991 26.783 27.740 0.057 0.000 1.671 865 C HN 1.339 nan 8.230 nan 0.000 0.453 866 G N 2.972 112.008 108.800 0.394 0.000 2.332 866 G HA2 0.569 4.527 3.960 -0.004 0.000 0.311 866 G HA3 0.569 4.527 3.960 -0.004 0.000 0.311 866 G C 0.612 175.616 174.900 0.172 0.000 1.392 866 G CA 0.236 45.561 45.100 0.376 0.000 1.110 866 G HN 2.590 nan 8.290 nan 0.000 0.594 867 A N -2.408 120.495 122.820 0.139 0.000 1.825 867 A HA 0.082 4.400 4.320 -0.004 0.000 0.234 867 A C 1.067 178.696 177.584 0.074 0.000 2.858 867 A CA 0.170 52.270 52.037 0.105 0.000 2.159 867 A CB -1.245 17.833 19.000 0.130 0.000 0.258 867 A HN 0.514 nan 8.150 nan 0.000 0.969 868 I N 1.386 121.996 120.570 0.067 0.000 2.185 868 I HA -0.237 3.931 4.170 -0.004 0.000 0.246 868 I C 1.261 177.390 176.117 0.020 0.000 1.088 868 I CA 1.834 63.154 61.300 0.034 0.000 1.347 868 I CB -0.498 37.526 38.000 0.040 0.000 1.041 868 I HN 0.803 nan 8.210 nan 0.000 0.415 869 I N 0.935 121.523 120.570 0.030 0.000 2.990 869 I HA -0.222 3.946 4.170 -0.004 0.000 0.126 869 I C 0.346 176.452 176.117 -0.017 0.000 0.911 869 I CA 0.529 61.824 61.300 -0.007 0.000 2.775 869 I CB -1.630 36.372 38.000 0.003 0.000 0.775 869 I HN 0.206 nan 8.210 nan 0.000 0.350 870 G N 4.400 113.193 108.800 -0.012 0.000 2.568 870 G HA2 0.530 4.488 3.960 -0.004 0.000 0.313 870 G HA3 0.530 4.488 3.960 -0.004 0.000 0.313 870 G C -1.016 173.938 174.900 0.090 0.000 1.227 870 G CA -0.936 44.192 45.100 0.048 0.000 0.979 870 G HN 0.954 nan 8.290 nan 0.000 0.486 871 W N 0.098 121.397 121.300 -0.001 0.000 3.310 871 W HA -0.168 4.490 4.660 -0.003 0.000 0.434 871 W C -0.087 176.395 176.519 -0.061 0.000 1.840 871 W CA 1.074 58.429 57.345 0.017 0.000 0.500 871 W CB -0.398 29.123 29.460 0.101 0.000 2.862 871 W HN 0.458 nan 8.180 nan 0.000 0.496 872 T N 4.596 119.277 114.554 0.210 0.000 3.038 872 T HA 0.286 4.634 4.350 -0.004 0.000 0.344 872 T C 0.340 175.171 174.700 0.219 0.000 1.054 872 T CA -0.969 61.233 62.100 0.171 0.000 1.092 872 T CB 1.197 70.045 68.868 -0.033 0.000 1.031 872 T HN 0.407 nan 8.240 nan 0.000 0.482 873 R N 2.350 123.083 120.500 0.388 0.000 3.421 873 R HA 0.398 4.736 4.340 -0.004 0.000 0.175 873 R C 1.089 177.491 176.300 0.170 0.000 0.770 873 R CA 1.849 58.136 56.100 0.312 0.000 1.308 873 R CB -0.508 29.980 30.300 0.314 0.000 0.628 873 R HN 0.944 nan 8.270 nan 0.000 0.478 874 G N 0.661 109.545 108.800 0.140 0.000 2.392 874 G HA2 -0.217 3.740 3.960 -0.004 0.000 0.290 874 G HA3 -0.217 3.740 3.960 -0.004 0.000 0.290 874 G C -0.476 174.461 174.900 0.062 0.000 1.032 874 G CA 0.418 45.574 45.100 0.094 0.000 1.269 874 G HN 0.557 nan 8.290 nan 0.000 0.511 875 T N -0.015 114.570 114.554 0.051 0.000 2.897 875 T HA 0.583 4.931 4.350 -0.004 0.000 0.294 875 T C 1.562 176.265 174.700 0.006 0.000 1.004 875 T CA 0.756 62.868 62.100 0.019 0.000 1.106 875 T CB 1.768 70.645 68.868 0.015 0.000 0.949 875 T HN 1.052 nan 8.240 nan 0.000 0.520 876 G N 1.186 109.979 108.800 -0.012 0.000 2.687 876 G HA2 0.411 4.369 3.960 -0.004 0.000 0.201 876 G HA3 0.411 4.369 3.960 -0.004 0.000 0.201 876 G C -0.200 174.682 174.900 -0.030 0.000 1.211 876 G CA -0.116 44.971 45.100 -0.022 0.000 0.637 876 G HN 0.657 nan 8.290 nan 0.000 0.900 877 L N -0.786 120.414 121.223 -0.037 0.000 3.996 877 L HA 0.553 4.891 4.340 -0.004 0.000 0.218 877 L C -0.521 176.311 176.870 -0.065 0.000 1.038 877 L CA 0.085 54.897 54.840 -0.047 0.000 1.412 877 L CB 0.633 42.669 42.059 -0.039 0.000 1.786 877 L HN 0.164 nan 8.230 nan 0.000 0.734 878 M N 0.927 120.471 119.600 -0.093 0.000 3.319 878 M HA 0.082 4.560 4.480 -0.004 0.000 0.283 878 M C -1.087 175.107 176.300 -0.176 0.000 0.567 878 M CA 0.815 56.032 55.300 -0.140 0.000 1.003 878 M CB -1.105 31.429 32.600 -0.110 0.000 3.579 878 M HN 0.328 nan 8.290 nan 0.000 0.345 879 S N 1.370 116.980 115.700 -0.151 0.000 2.420 879 S HA 0.842 5.309 4.470 -0.004 0.000 0.313 879 S C 0.538 174.962 174.600 -0.294 0.000 1.079 879 S CA -0.098 57.990 58.200 -0.188 0.000 1.104 879 S CB 1.017 64.172 63.200 -0.075 0.000 0.969 879 S HN 0.593 nan 8.310 nan 0.000 0.471 880 A N 3.651 126.145 122.820 -0.544 0.000 2.614 880 A HA 0.011 4.329 4.320 -0.004 0.000 0.231 880 A C 0.935 178.167 177.584 -0.587 0.000 1.076 880 A CA -0.140 51.457 52.037 -0.734 0.000 0.767 880 A CB -0.197 18.060 19.000 -1.238 0.000 1.012 880 A HN 0.871 nan 8.150 nan 0.000 0.512 881 N N 0.620 119.213 118.700 -0.179 0.000 2.942 881 N HA -0.214 4.524 4.740 -0.004 0.000 0.284 881 N C 0.054 175.833 175.510 0.447 0.000 1.019 881 N CA 1.230 54.413 53.050 0.221 0.000 0.879 881 N CB -0.938 37.827 38.487 0.463 0.000 0.917 881 N HN 0.700 nan 8.380 nan 0.000 0.606 882 N N 0.811 119.657 118.700 0.243 0.000 2.429 882 N HA 0.056 4.794 4.740 -0.004 0.000 0.298 882 N C 0.590 176.216 175.510 0.194 0.000 1.256 882 N CA 0.371 53.578 53.050 0.261 0.000 1.090 882 N CB 0.004 38.569 38.487 0.130 0.000 1.477 882 N HN 0.396 nan 8.380 nan 0.000 0.491 883 I N 0.605 121.306 120.570 0.218 0.000 2.675 883 I HA 0.007 4.175 4.170 -0.004 0.000 0.284 883 I C 1.309 177.470 176.117 0.073 0.000 0.909 883 I CA -0.439 60.933 61.300 0.120 0.000 2.108 883 I CB -0.452 37.614 38.000 0.110 0.000 1.881 883 I HN 0.109 nan 8.210 nan 0.000 0.397 884 I N 1.644 122.251 120.570 0.062 0.000 2.071 884 I HA -0.266 3.902 4.170 -0.004 0.000 0.214 884 I C 2.188 178.246 176.117 -0.098 0.000 1.020 884 I CA 2.001 63.283 61.300 -0.030 0.000 1.334 884 I CB -0.707 37.254 38.000 -0.066 0.000 1.073 884 I HN 0.655 nan 8.210 nan 0.000 0.388 885 A N 0.142 122.801 122.820 -0.268 0.000 1.619 885 A HA -0.416 3.902 4.320 -0.004 0.000 0.328 885 A C 1.771 179.219 177.584 -0.227 0.000 1.894 885 A CA 1.942 53.760 52.037 -0.365 0.000 1.077 885 A CB -2.068 16.830 19.000 -0.169 0.000 1.467 885 A HN 0.599 nan 8.150 nan 0.000 0.713 886 E N -0.199 119.930 120.200 -0.118 0.000 2.097 886 E HA -0.037 4.311 4.350 -0.004 0.000 0.196 886 E C 1.918 178.484 176.600 -0.057 0.000 1.000 886 E CA 1.082 57.439 56.400 -0.071 0.000 0.804 886 E CB -0.510 29.166 29.700 -0.040 0.000 0.740 886 E HN 1.078 nan 8.360 nan 0.000 0.454 887 G N 0.466 109.225 108.800 -0.068 0.000 2.601 887 G HA2 -0.177 3.781 3.960 -0.004 0.000 0.214 887 G HA3 -0.177 3.781 3.960 -0.004 0.000 0.214 887 G C 1.301 176.207 174.900 0.010 0.000 1.132 887 G CA 0.749 45.823 45.100 -0.044 0.000 0.761 887 G HN 0.230 nan 8.290 nan 0.000 0.550 888 I N -1.713 118.845 120.570 -0.020 0.000 4.607 888 I HA 0.138 4.306 4.170 -0.004 0.000 0.324 888 I C 1.397 177.539 176.117 0.041 0.000 1.279 888 I CA -0.015 61.343 61.300 0.097 0.000 1.286 888 I CB 0.413 38.355 38.000 -0.097 0.000 1.265 888 I HN -0.016 nan 8.210 nan 0.000 0.446 889 E N 2.088 122.265 120.200 -0.037 0.000 2.321 889 E HA 0.031 4.379 4.350 -0.004 0.000 0.189 889 E C 0.975 177.566 176.600 -0.016 0.000 1.125 889 E CA 0.213 56.591 56.400 -0.038 0.000 1.005 889 E CB 0.340 30.002 29.700 -0.062 0.000 1.140 889 E HN 0.401 nan 8.360 nan 0.000 0.457 890 K N -0.340 120.071 120.400 0.018 0.000 2.494 890 K HA 0.145 4.463 4.320 -0.004 0.000 0.201 890 K C 1.006 177.613 176.600 0.011 0.000 1.338 890 K CA -0.179 56.119 56.287 0.018 0.000 0.935 890 K CB 0.250 32.773 32.500 0.039 0.000 1.514 890 K HN -0.007 nan 8.250 nan 0.000 0.490 891 M N 1.193 120.818 119.600 0.042 0.000 3.543 891 M HA 0.065 4.543 4.480 -0.004 0.000 0.181 891 M C 0.245 176.472 176.300 -0.121 0.000 1.448 891 M CA 0.910 56.157 55.300 -0.090 0.000 1.587 891 M CB -0.626 31.774 32.600 -0.332 0.000 1.380 891 M HN 0.478 nan 8.290 nan 0.000 0.447 892 G N -1.174 107.587 108.800 -0.065 0.000 2.205 892 G HA2 -0.180 3.778 3.960 -0.004 0.000 0.180 892 G HA3 -0.180 3.778 3.960 -0.004 0.000 0.180 892 G C 0.221 175.088 174.900 -0.054 0.000 1.004 892 G CA -0.379 44.682 45.100 -0.064 0.000 0.670 892 G HN 0.809 nan 8.290 nan 0.000 0.496 893 V N -0.078 119.814 119.914 -0.037 0.000 5.359 893 V HA -0.287 3.831 4.120 -0.004 0.000 0.278 893 V C 1.697 177.764 176.094 -0.045 0.000 0.622 893 V CA 1.894 64.171 62.300 -0.039 0.000 0.649 893 V CB -1.379 30.416 31.823 -0.047 0.000 0.408 893 V HN 0.599 nan 8.190 nan 0.000 0.918 894 R N 1.373 121.855 120.500 -0.030 0.000 3.425 894 R HA 0.208 4.546 4.340 -0.004 0.000 0.213 894 R C 1.248 177.561 176.300 0.021 0.000 1.890 894 R CA 0.917 57.004 56.100 -0.021 0.000 1.589 894 R CB -1.458 28.851 30.300 0.015 0.000 1.095 894 R HN 1.152 nan 8.270 nan 0.000 0.547 895 T N -3.951 110.599 114.554 -0.007 0.000 0.541 895 T HA -0.325 4.023 4.350 -0.004 0.000 0.774 895 T C 0.129 174.895 174.700 0.109 0.000 0.992 895 T CA 0.254 62.351 62.100 -0.005 0.000 4.077 895 T CB -0.719 68.133 68.868 -0.026 0.000 2.303 895 T HN 0.406 nan 8.240 nan 0.000 0.398 896 F N -0.248 119.702 119.950 0.001 0.000 2.122 896 F HA 0.082 4.607 4.527 -0.003 0.000 0.483 896 F C 1.117 176.920 175.800 0.004 0.000 1.256 896 F CA 1.592 59.613 58.000 0.034 0.000 1.544 896 F CB -1.177 37.886 39.000 0.105 0.000 2.639 896 F HN 1.686 nan 8.300 nan 0.000 0.704 897 S N 0.770 116.714 115.700 0.406 0.000 4.412 897 S HA 0.070 4.538 4.470 -0.004 0.000 0.067 897 S C -0.815 173.955 174.600 0.283 0.000 0.853 897 S CA 0.011 58.372 58.200 0.268 0.000 1.030 897 S CB -0.422 62.823 63.200 0.075 0.000 0.620 897 S HN 0.649 nan 8.310 nan 0.000 0.774 898 Q N 1.406 121.461 119.800 0.425 0.000 2.222 898 Q HA 0.531 4.869 4.340 -0.004 0.000 0.252 898 Q C 0.542 176.814 176.000 0.453 0.000 0.926 898 Q CA -0.365 55.629 55.803 0.317 0.000 0.899 898 Q CB 1.733 30.519 28.738 0.080 0.000 1.250 898 Q HN 0.264 nan 8.270 nan 0.000 0.441 899 K N 1.253 121.816 120.400 0.271 0.000 2.367 899 K HA 0.071 4.389 4.320 -0.004 0.000 0.198 899 K C 0.642 177.359 176.600 0.194 0.000 1.132 899 K CA 0.111 56.528 56.287 0.216 0.000 0.941 899 K CB 0.603 33.190 32.500 0.145 0.000 1.052 899 K HN 0.569 nan 8.250 nan 0.000 0.507 900 E N 1.950 122.251 120.200 0.168 0.000 2.499 900 E HA -0.155 4.193 4.350 -0.004 0.000 0.207 900 E C 1.351 178.091 176.600 0.233 0.000 1.175 900 E CA 0.184 56.680 56.400 0.160 0.000 0.932 900 E CB -0.076 29.687 29.700 0.105 0.000 0.906 900 E HN 0.393 nan 8.360 nan 0.000 0.556 901 M N -0.149 119.622 119.600 0.284 0.000 2.435 901 M HA -0.207 4.271 4.480 -0.004 0.000 0.262 901 M C 1.908 178.381 176.300 0.288 0.000 1.065 901 M CA 1.266 56.784 55.300 0.362 0.000 1.076 901 M CB -0.316 32.495 32.600 0.351 0.000 1.403 901 M HN 0.121 nan 8.290 nan 0.000 0.454 902 A N 0.984 123.932 122.820 0.213 0.000 1.940 902 A HA -0.292 4.026 4.320 -0.004 0.000 0.221 902 A C 1.905 179.607 177.584 0.196 0.000 1.190 902 A CA 2.118 54.247 52.037 0.154 0.000 0.647 902 A CB -1.579 17.491 19.000 0.117 0.000 0.821 902 A HN 0.739 nan 8.150 nan 0.000 0.457 903 F N 1.677 121.689 119.950 0.104 0.000 2.135 903 F HA -0.330 4.195 4.527 -0.004 0.000 0.300 903 F C 1.842 177.709 175.800 0.112 0.000 1.074 903 F CA 2.125 60.187 58.000 0.103 0.000 1.262 903 F CB -0.586 38.467 39.000 0.088 0.000 1.013 903 F HN 0.425 nan 8.300 nan 0.000 0.489 904 N N 0.601 119.397 118.700 0.160 0.000 2.030 904 N HA -0.212 4.526 4.740 -0.004 0.000 0.194 904 N C 1.784 177.285 175.510 -0.016 0.000 1.074 904 N CA 1.438 54.525 53.050 0.061 0.000 0.860 904 N CB -0.536 38.066 38.487 0.191 0.000 1.055 904 N HN 0.156 nan 8.380 nan 0.000 0.429 905 L N 1.193 122.449 121.223 0.055 0.000 2.011 905 L HA -0.221 4.117 4.340 -0.004 0.000 0.225 905 L C 2.627 179.509 176.870 0.018 0.000 1.084 905 L CA 1.412 56.283 54.840 0.053 0.000 0.791 905 L CB -1.785 40.320 42.059 0.077 0.000 0.898 905 L HN 0.357 nan 8.230 nan 0.000 0.440 906 L N 0.414 121.648 121.223 0.017 0.000 2.113 906 L HA -0.230 4.107 4.340 -0.004 0.000 0.221 906 L C 2.212 179.149 176.870 0.111 0.000 1.084 906 L CA 2.503 57.385 54.840 0.071 0.000 0.787 906 L CB -1.034 41.069 42.059 0.074 0.000 0.893 906 L HN 0.306 nan 8.230 nan 0.000 0.440 907 G N -1.717 107.017 108.800 -0.110 0.000 2.595 907 G HA2 -0.107 3.851 3.960 -0.004 0.000 0.213 907 G HA3 -0.107 3.851 3.960 -0.004 0.000 0.213 907 G C 1.298 176.181 174.900 -0.027 0.000 1.141 907 G CA 0.373 45.398 45.100 -0.124 0.000 0.806 907 G HN 0.382 nan 8.290 nan 0.000 0.530 908 L N 0.611 121.822 121.223 -0.019 0.000 2.651 908 L HA 0.174 4.512 4.340 -0.004 0.000 0.236 908 L C 1.377 178.266 176.870 0.032 0.000 1.173 908 L CA 0.882 55.731 54.840 0.014 0.000 0.843 908 L CB -0.159 41.921 42.059 0.035 0.000 0.964 908 L HN 0.171 nan 8.230 nan 0.000 0.454 909 L N -1.210 120.045 121.223 0.052 0.000 3.289 909 L HA 0.361 4.699 4.340 -0.004 0.000 0.291 909 L C 0.389 177.345 176.870 0.144 0.000 1.279 909 L CA -0.033 54.841 54.840 0.058 0.000 1.025 909 L CB -0.088 41.963 42.059 -0.013 0.000 1.413 909 L HN 0.133 nan 8.230 nan 0.000 0.593 910 T N 1.155 115.782 114.554 0.122 0.000 2.899 910 T HA 0.458 4.806 4.350 -0.004 0.000 0.284 910 T C -2.394 172.348 174.700 0.070 0.000 1.004 910 T CA -1.651 60.522 62.100 0.121 0.000 1.043 910 T CB 0.829 69.715 68.868 0.030 0.000 1.013 910 T HN 0.174 nan 8.240 nan 0.000 0.518 911 P HA 0.033 nan 4.420 nan 0.000 0.273 911 P C 0.399 177.711 177.300 0.020 0.000 1.248 911 P CA 0.381 63.501 63.100 0.033 0.000 0.817 911 P CB 0.335 32.048 31.700 0.022 0.000 0.995 912 E N -2.552 117.656 120.200 0.013 0.000 4.027 912 E HA -0.282 4.066 4.350 -0.004 0.000 0.194 912 E C 1.555 178.160 176.600 0.007 0.000 1.213 912 E CA 1.689 58.094 56.400 0.008 0.000 2.285 912 E CB -2.446 27.257 29.700 0.004 0.000 1.825 912 E HN 0.150 nan 8.360 nan 0.000 0.363 913 V N 1.287 121.206 119.914 0.009 0.000 2.277 913 V HA -0.356 3.762 4.120 -0.004 0.000 0.253 913 V C 2.248 178.345 176.094 0.005 0.000 1.067 913 V CA 2.473 64.777 62.300 0.007 0.000 1.047 913 V CB -0.869 30.963 31.823 0.014 0.000 0.649 913 V HN 0.344 nan 8.190 nan 0.000 0.447 914 V N -0.190 119.732 119.914 0.015 0.000 2.214 914 V HA -0.334 3.784 4.120 -0.004 0.000 0.244 914 V C 2.489 178.589 176.094 0.010 0.000 1.045 914 V CA 2.428 64.737 62.300 0.015 0.000 0.993 914 V CB -0.830 31.006 31.823 0.022 0.000 0.633 914 V HN 0.669 nan 8.190 nan 0.000 0.449 915 E N -0.019 120.190 120.200 0.014 0.000 2.200 915 E HA -0.314 4.033 4.350 -0.004 0.000 0.211 915 E C 1.829 178.433 176.600 0.005 0.000 1.048 915 E CA 2.310 58.719 56.400 0.015 0.000 0.851 915 E CB -0.525 29.183 29.700 0.013 0.000 0.747 915 E HN 0.419 nan 8.360 nan 0.000 0.462 916 L N 0.031 121.250 121.223 -0.006 0.000 1.973 916 L HA -0.129 4.209 4.340 -0.004 0.000 0.208 916 L C 2.383 179.219 176.870 -0.057 0.000 1.073 916 L CA 2.149 56.975 54.840 -0.023 0.000 0.746 916 L CB -1.247 40.799 42.059 -0.022 0.000 0.891 916 L HN 0.401 nan 8.230 nan 0.000 0.433 917 C N -0.334 118.925 119.300 -0.068 0.000 2.403 917 C HA -0.236 4.222 4.460 -0.004 0.000 0.277 917 C C 2.802 177.684 174.990 -0.180 0.000 1.248 917 C CA 1.256 60.191 59.018 -0.140 0.000 1.762 917 C CB -1.074 26.607 27.740 -0.098 0.000 2.014 917 C HN 0.705 nan 8.230 nan 0.000 0.486 918 Q N 0.318 120.085 119.800 -0.055 0.000 2.308 918 Q HA -0.212 4.126 4.340 -0.004 0.000 0.209 918 Q C 2.049 178.080 176.000 0.051 0.000 0.985 918 Q CA 1.532 57.354 55.803 0.032 0.000 0.881 918 Q CB 0.020 28.791 28.738 0.054 0.000 0.917 918 Q HN 0.656 nan 8.270 nan 0.000 0.443 919 K N -0.825 119.564 120.400 -0.019 0.000 2.166 919 K HA 0.051 4.369 4.320 -0.004 0.000 0.201 919 K C 0.415 176.992 176.600 -0.038 0.000 1.052 919 K CA 0.874 57.171 56.287 0.017 0.000 0.969 919 K CB 0.607 33.108 32.500 0.000 0.000 0.761 919 K HN 0.198 nan 8.250 nan 0.000 0.459 920 S N -0.701 114.853 115.700 -0.245 0.000 2.615 920 S HA 0.287 4.755 4.470 -0.004 0.000 0.268 920 S C -3.058 171.203 174.600 -0.565 0.000 1.146 920 S CA -1.557 56.383 58.200 -0.434 0.000 0.818 920 S CB 1.616 64.751 63.200 -0.108 0.000 1.111 920 S HN -0.183 nan 8.310 nan 0.000 0.465 921 P HA 0.264 nan 4.420 nan 0.000 0.271 921 P C -0.816 176.372 177.300 -0.187 0.000 1.233 921 P CA -0.222 62.656 63.100 -0.369 0.000 0.795 921 P CB 0.282 31.900 31.700 -0.137 0.000 0.936 922 V N 1.383 121.269 119.914 -0.047 0.000 2.595 922 V HA 0.173 4.291 4.120 -0.004 0.000 0.269 922 V C 0.405 176.477 176.094 -0.036 0.000 0.982 922 V CA -0.249 62.012 62.300 -0.065 0.000 0.873 922 V CB 0.664 32.464 31.823 -0.037 0.000 1.051 922 V HN 0.475 nan 8.190 nan 0.000 0.466 923 M N 2.957 122.417 119.600 -0.234 0.000 2.248 923 M HA 0.582 5.060 4.480 -0.004 0.000 0.337 923 M C 0.434 176.705 176.300 -0.047 0.000 1.121 923 M CA 0.524 55.704 55.300 -0.199 0.000 1.155 923 M CB 0.923 33.317 32.600 -0.342 0.000 1.514 923 M HN 0.690 nan 8.290 nan 0.000 0.452 924 A N 2.457 125.290 122.820 0.022 0.000 3.208 924 A HA 0.178 4.496 4.320 -0.004 0.000 0.252 924 A C -0.536 177.085 177.584 0.061 0.000 1.225 924 A CA -0.961 51.098 52.037 0.037 0.000 0.980 924 A CB -0.027 18.997 19.000 0.042 0.000 1.414 924 A HN 0.882 nan 8.150 nan 0.000 0.721 925 D N 1.044 121.481 120.400 0.061 0.000 2.515 925 D HA 0.048 4.686 4.640 -0.004 0.000 0.232 925 D C -0.016 176.337 176.300 0.089 0.000 1.157 925 D CA 0.327 54.372 54.000 0.075 0.000 0.871 925 D CB 0.910 41.759 40.800 0.082 0.000 1.200 925 D HN 0.403 nan 8.370 nan 0.000 0.466 926 L N 1.266 122.540 121.223 0.086 0.000 3.288 926 L HA 0.189 4.527 4.340 -0.004 0.000 0.293 926 L C 0.215 177.136 176.870 0.085 0.000 1.294 926 L CA -0.698 54.205 54.840 0.104 0.000 1.006 926 L CB -0.386 41.720 42.059 0.079 0.000 1.407 926 L HN 0.345 nan 8.230 nan 0.000 0.592 927 N N 0.570 119.336 118.700 0.111 0.000 2.455 927 N HA 0.260 4.998 4.740 -0.004 0.000 0.280 927 N C 0.987 176.610 175.510 0.187 0.000 1.055 927 N CA -0.178 52.954 53.050 0.136 0.000 0.961 927 N CB 1.667 40.237 38.487 0.139 0.000 1.121 927 N HN 0.205 nan 8.380 nan 0.000 0.476 928 G N 2.371 111.323 108.800 0.253 0.000 2.990 928 G HA2 0.241 4.199 3.960 -0.004 0.000 0.256 928 G HA3 0.241 4.199 3.960 -0.004 0.000 0.256 928 G C 1.136 176.088 174.900 0.086 0.000 0.798 928 G CA -0.030 45.201 45.100 0.219 0.000 2.012 928 G HN 1.084 nan 8.290 nan 0.000 0.598 929 G N 0.364 109.197 108.800 0.056 0.000 2.230 929 G HA2 -0.428 3.530 3.960 -0.004 0.000 0.270 929 G HA3 -0.428 3.530 3.960 -0.004 0.000 0.270 929 G C 1.451 176.421 174.900 0.116 0.000 0.987 929 G CA 0.828 45.898 45.100 -0.050 0.000 0.664 929 G HN 0.628 nan 8.290 nan 0.000 0.539 930 L N 0.394 121.709 121.223 0.154 0.000 2.151 930 L HA -0.328 4.010 4.340 -0.004 0.000 0.219 930 L C 3.136 180.163 176.870 0.261 0.000 1.083 930 L CA 2.753 57.712 54.840 0.197 0.000 0.782 930 L CB -0.372 41.831 42.059 0.239 0.000 0.891 930 L HN 0.792 nan 8.230 nan 0.000 0.439 931 Q N -1.539 118.449 119.800 0.313 0.000 2.592 931 Q HA -0.230 4.108 4.340 -0.004 0.000 0.219 931 Q C 1.279 177.475 176.000 0.326 0.000 0.984 931 Q CA 1.403 57.388 55.803 0.302 0.000 0.911 931 Q CB -0.328 28.581 28.738 0.285 0.000 0.962 931 Q HN 0.450 nan 8.270 nan 0.000 0.532 932 F N 0.251 120.221 119.950 0.034 0.000 2.653 932 F HA 0.181 4.706 4.527 -0.004 0.000 0.288 932 F C 0.956 176.747 175.800 -0.016 0.000 1.121 932 F CA -0.829 57.176 58.000 0.008 0.000 1.384 932 F CB 0.119 39.119 39.000 0.001 0.000 1.115 932 F HN -0.183 nan 8.300 nan 0.000 0.599 933 V N 2.438 122.457 119.914 0.175 0.000 3.032 933 V HA 0.012 4.130 4.120 -0.004 0.000 0.307 933 V C -2.078 174.024 176.094 0.013 0.000 1.097 933 V CA -0.995 61.323 62.300 0.030 0.000 1.191 933 V CB -0.303 31.533 31.823 0.021 0.000 0.964 933 V HN -0.036 nan 8.190 nan 0.000 0.494 934 P HA 0.364 nan 4.420 nan 0.000 0.300 934 P C -0.320 176.988 177.300 0.014 0.000 1.326 934 P CA -0.561 62.526 63.100 -0.022 0.000 0.844 934 P CB 0.674 32.346 31.700 -0.046 0.000 0.992 935 E N 1.370 121.586 120.200 0.026 0.000 2.328 935 E HA -0.246 4.102 4.350 -0.004 0.000 0.233 935 E C 0.816 177.457 176.600 0.069 0.000 1.219 935 E CA 0.014 56.438 56.400 0.039 0.000 0.717 935 E CB -1.473 28.253 29.700 0.043 0.000 1.210 935 E HN 0.522 nan 8.360 nan 0.000 0.381 936 L N 0.183 121.446 121.223 0.067 0.000 2.149 936 L HA -0.360 3.978 4.340 -0.004 0.000 0.223 936 L C 2.599 179.466 176.870 -0.005 0.000 1.089 936 L CA 2.693 57.593 54.840 0.100 0.000 0.800 936 L CB -0.294 41.781 42.059 0.025 0.000 0.897 936 L HN 0.343 nan 8.230 nan 0.000 0.443 937 K N 0.068 120.397 120.400 -0.117 0.000 1.978 937 K HA -0.244 4.073 4.320 -0.004 0.000 0.221 937 K C 1.741 178.311 176.600 -0.051 0.000 1.036 937 K CA 1.934 58.115 56.287 -0.175 0.000 0.996 937 K CB -0.345 32.086 32.500 -0.115 0.000 0.755 937 K HN 0.302 nan 8.250 nan 0.000 0.445 938 E N -0.231 119.971 120.200 0.005 0.000 2.271 938 E HA -0.276 4.072 4.350 -0.004 0.000 0.209 938 E C 1.842 178.486 176.600 0.073 0.000 1.046 938 E CA 1.892 58.315 56.400 0.037 0.000 0.840 938 E CB -0.389 29.342 29.700 0.052 0.000 0.738 938 E HN 0.384 nan 8.360 nan 0.000 0.470 939 F N 1.598 121.533 119.950 -0.026 0.000 2.022 939 F HA -0.172 4.353 4.527 -0.004 0.000 0.293 939 F C 2.360 178.156 175.800 -0.006 0.000 1.142 939 F CA 2.015 60.006 58.000 -0.014 0.000 1.177 939 F CB -1.017 37.973 39.000 -0.016 0.000 0.982 939 F HN -0.167 nan 8.300 nan 0.000 0.473 940 T N 1.727 115.984 114.554 -0.496 0.000 2.685 940 T HA -0.267 4.081 4.350 -0.004 0.000 0.268 940 T C 2.142 176.677 174.700 -0.275 0.000 1.034 940 T CA 1.823 63.623 62.100 -0.500 0.000 1.149 940 T CB -1.205 67.560 68.868 -0.171 0.000 0.860 940 T HN 0.465 nan 8.240 nan 0.000 0.449 941 A N 2.054 124.789 122.820 -0.142 0.000 1.849 941 A HA -0.268 4.050 4.320 -0.004 0.000 0.216 941 A C 2.107 179.646 177.584 -0.074 0.000 1.225 941 A CA 2.517 54.518 52.037 -0.061 0.000 0.653 941 A CB -1.078 17.910 19.000 -0.019 0.000 0.844 941 A HN 0.520 nan 8.150 nan 0.000 0.453 942 K N -0.568 119.798 120.400 -0.057 0.000 2.056 942 K HA -0.288 4.030 4.320 -0.004 0.000 0.225 942 K C 1.924 178.483 176.600 -0.069 0.000 1.053 942 K CA 2.370 58.636 56.287 -0.034 0.000 0.966 942 K CB -0.719 31.788 32.500 0.010 0.000 0.735 942 K HN 0.478 nan 8.250 nan 0.000 0.455 943 L N -0.113 121.013 121.223 -0.162 0.000 2.064 943 L HA -0.371 3.967 4.340 -0.004 0.000 0.234 943 L C 2.968 179.790 176.870 -0.079 0.000 1.103 943 L CA 2.318 57.060 54.840 -0.164 0.000 0.824 943 L CB -0.703 41.164 42.059 -0.319 0.000 0.919 943 L HN 0.403 nan 8.230 nan 0.000 0.447 944 R N -0.330 120.132 120.500 -0.063 0.000 2.062 944 R HA -0.143 4.195 4.340 -0.004 0.000 0.231 944 R C 2.429 178.725 176.300 -0.008 0.000 1.136 944 R CA 1.082 57.172 56.100 -0.016 0.000 0.948 944 R CB -0.152 30.154 30.300 0.010 0.000 0.845 944 R HN 0.124 nan 8.270 nan 0.000 0.430 945 K N 1.042 121.437 120.400 -0.008 0.000 2.228 945 K HA -0.229 4.089 4.320 -0.004 0.000 0.205 945 K C 1.706 178.308 176.600 0.003 0.000 1.045 945 K CA 1.617 57.906 56.287 0.002 0.000 0.931 945 K CB -0.095 32.408 32.500 0.004 0.000 0.727 945 K HN 0.386 nan 8.250 nan 0.000 0.458 946 E N -0.510 119.688 120.200 -0.003 0.000 2.045 946 E HA -0.105 4.243 4.350 -0.004 0.000 0.190 946 E C 1.940 178.542 176.600 0.003 0.000 0.968 946 E CA 0.258 56.659 56.400 0.003 0.000 0.813 946 E CB -0.152 29.549 29.700 0.003 0.000 0.780 946 E HN 0.065 nan 8.360 nan 0.000 0.455 947 L N 1.061 122.282 121.223 -0.003 0.000 2.263 947 L HA -0.150 4.188 4.340 -0.004 0.000 0.216 947 L C 1.987 178.861 176.870 0.006 0.000 1.111 947 L CA 1.097 55.938 54.840 0.000 0.000 0.773 947 L CB -0.279 41.778 42.059 -0.005 0.000 0.906 947 L HN 0.083 nan 8.230 nan 0.000 0.439 948 V N -0.572 119.347 119.914 0.007 0.000 2.221 948 V HA -0.302 3.816 4.120 -0.004 0.000 0.240 948 V C 2.426 178.526 176.094 0.011 0.000 1.041 948 V CA 1.909 64.215 62.300 0.011 0.000 0.991 948 V CB -0.576 31.255 31.823 0.012 0.000 0.634 948 V HN 0.519 nan 8.190 nan 0.000 0.450 949 E N -0.330 119.876 120.200 0.010 0.000 2.136 949 E HA -0.293 4.055 4.350 -0.004 0.000 0.202 949 E C 2.158 178.764 176.600 0.010 0.000 1.019 949 E CA 2.127 58.533 56.400 0.011 0.000 0.819 949 E CB -0.220 29.486 29.700 0.011 0.000 0.739 949 E HN 0.649 nan 8.360 nan 0.000 0.458 950 T N -0.398 114.162 114.554 0.009 0.000 2.653 950 T HA -0.234 4.114 4.350 -0.004 0.000 0.268 950 T C 1.944 176.649 174.700 0.009 0.000 1.035 950 T CA 1.602 63.707 62.100 0.009 0.000 1.154 950 T CB -0.386 68.486 68.868 0.008 0.000 0.862 950 T HN 0.151 nan 8.240 nan 0.000 0.441 951 S N 0.301 116.006 115.700 0.009 0.000 2.371 951 S HA -0.087 4.381 4.470 -0.004 0.000 0.224 951 S C 2.055 176.660 174.600 0.009 0.000 1.029 951 S CA 1.386 59.591 58.200 0.009 0.000 0.978 951 S CB -0.277 62.930 63.200 0.010 0.000 0.833 951 S HN 0.470 nan 8.310 nan 0.000 0.466 952 E N 0.331 120.537 120.200 0.010 0.000 2.333 952 E HA -0.048 4.300 4.350 -0.004 0.000 0.198 952 E C 1.590 178.196 176.600 0.009 0.000 1.007 952 E CA 0.923 57.329 56.400 0.010 0.000 0.845 952 E CB -0.073 29.633 29.700 0.011 0.000 0.766 952 E HN 0.412 nan 8.360 nan 0.000 0.507 953 V N 0.320 120.239 119.914 0.009 0.000 2.341 953 V HA -0.107 4.011 4.120 -0.004 0.000 0.240 953 V C 2.267 178.366 176.094 0.008 0.000 1.035 953 V CA 1.258 63.564 62.300 0.009 0.000 1.033 953 V CB -0.398 31.431 31.823 0.009 0.000 0.678 953 V HN 0.186 nan 8.190 nan 0.000 0.464 954 R N 0.965 121.469 120.500 0.008 0.000 2.097 954 R HA -0.246 4.092 4.340 -0.004 0.000 0.236 954 R C 2.233 178.537 176.300 0.006 0.000 1.135 954 R CA 2.011 58.115 56.100 0.007 0.000 0.934 954 R CB -0.998 29.306 30.300 0.006 0.000 0.846 954 R HN 0.474 nan 8.270 nan 0.000 0.431 955 K N 0.527 120.930 120.400 0.006 0.000 2.113 955 K HA -0.159 4.159 4.320 -0.004 0.000 0.208 955 K C 2.043 178.647 176.600 0.006 0.000 1.047 955 K CA 1.598 57.888 56.287 0.006 0.000 0.928 955 K CB -0.102 32.402 32.500 0.007 0.000 0.716 955 K HN 0.199 nan 8.250 nan 0.000 0.446 956 A N 0.703 123.528 122.820 0.008 0.000 1.835 956 A HA -0.128 4.190 4.320 -0.004 0.000 0.215 956 A C 2.211 179.801 177.584 0.009 0.000 1.199 956 A CA 1.828 53.870 52.037 0.008 0.000 0.615 956 A CB -0.965 18.040 19.000 0.009 0.000 0.838 956 A HN 0.141 nan 8.150 nan 0.000 0.444 957 V N 0.190 120.109 119.914 0.009 0.000 2.220 957 V HA -0.358 3.759 4.120 -0.004 0.000 0.250 957 V C 2.637 178.736 176.094 0.009 0.000 1.053 957 V CA 2.792 65.098 62.300 0.010 0.000 1.019 957 V CB -1.487 30.342 31.823 0.010 0.000 0.646 957 V HN 0.822 nan 8.190 nan 0.000 0.455 958 S N -0.230 115.474 115.700 0.006 0.000 2.426 958 S HA -0.390 4.078 4.470 -0.004 0.000 0.332 958 S C 1.712 176.314 174.600 0.003 0.000 1.213 958 S CA 2.992 61.193 58.200 0.002 0.000 1.436 958 S CB -0.763 62.437 63.200 -0.000 0.000 1.351 958 S HN 0.445 nan 8.310 nan 0.000 0.474 959 I N 1.474 122.047 120.570 0.005 0.000 2.058 959 I HA -0.166 4.002 4.170 -0.004 0.000 0.235 959 I C 2.892 179.017 176.117 0.013 0.000 1.053 959 I CA 2.012 63.316 61.300 0.007 0.000 1.313 959 I CB -0.693 37.312 38.000 0.007 0.000 1.039 959 I HN 0.438 nan 8.210 nan 0.000 0.396 960 E N 0.570 120.778 120.200 0.015 0.000 2.114 960 E HA -0.216 4.132 4.350 -0.004 0.000 0.199 960 E C 2.084 178.699 176.600 0.026 0.000 1.008 960 E CA 2.057 58.468 56.400 0.019 0.000 0.810 960 E CB -0.399 29.310 29.700 0.016 0.000 0.739 960 E HN 0.547 nan 8.360 nan 0.000 0.456 961 T N 1.153 115.722 114.554 0.025 0.000 2.542 961 T HA -0.127 4.221 4.350 -0.004 0.000 0.257 961 T C 1.864 176.597 174.700 0.054 0.000 1.111 961 T CA 1.752 63.873 62.100 0.035 0.000 1.203 961 T CB -0.471 68.413 68.868 0.027 0.000 0.866 961 T HN 0.303 nan 8.240 nan 0.000 0.399 962 A N 0.449 123.290 122.820 0.036 0.000 2.272 962 A HA 0.054 4.372 4.320 -0.004 0.000 0.213 962 A C 2.072 179.697 177.584 0.067 0.000 1.183 962 A CA 0.724 52.781 52.037 0.033 0.000 0.719 962 A CB -0.786 18.186 19.000 -0.047 0.000 0.771 962 A HN 0.382 nan 8.150 nan 0.000 0.484 963 L N -0.433 120.825 121.223 0.059 0.000 2.084 963 L HA -0.002 4.336 4.340 -0.004 0.000 0.202 963 L C 2.181 179.093 176.870 0.070 0.000 1.074 963 L CA 1.962 56.834 54.840 0.053 0.000 0.757 963 L CB -0.459 41.620 42.059 0.033 0.000 0.918 963 L HN 0.482 nan 8.230 nan 0.000 0.444 964 E N -1.340 118.899 120.200 0.065 0.000 2.209 964 E HA -0.285 4.063 4.350 -0.004 0.000 0.196 964 E C 1.917 178.553 176.600 0.059 0.000 0.993 964 E CA 1.036 57.466 56.400 0.049 0.000 0.819 964 E CB -0.318 29.404 29.700 0.037 0.000 0.745 964 E HN 0.549 nan 8.360 nan 0.000 0.477 965 H N 1.780 120.852 119.070 0.004 0.000 2.299 965 H HA -0.004 4.550 4.556 -0.004 0.000 0.302 965 H C 1.658 176.988 175.328 0.004 0.000 1.078 965 H CA 1.394 57.444 56.048 0.004 0.000 1.323 965 H CB 0.246 30.010 29.762 0.004 0.000 1.381 965 H HN 0.002 nan 8.280 nan 0.000 0.498 966 K N 0.231 120.772 120.400 0.235 0.000 2.442 966 K HA -0.044 4.274 4.320 -0.004 0.000 0.198 966 K C 2.154 178.793 176.600 0.066 0.000 1.044 966 K CA 0.654 57.031 56.287 0.150 0.000 0.948 966 K CB 0.409 32.965 32.500 0.095 0.000 0.762 966 K HN 0.098 nan 8.250 nan 0.000 0.472 967 V N 0.320 120.259 119.914 0.042 0.000 2.278 967 V HA -0.195 3.923 4.120 -0.004 0.000 0.238 967 V C 2.205 178.293 176.094 -0.011 0.000 1.039 967 V CA 1.110 63.418 62.300 0.014 0.000 1.017 967 V CB -0.368 31.462 31.823 0.011 0.000 0.657 967 V HN -0.009 nan 8.190 nan 0.000 0.462 968 V N 0.700 120.590 119.914 -0.039 0.000 2.220 968 V HA -0.300 3.818 4.120 -0.004 0.000 0.250 968 V C 1.555 177.608 176.094 -0.068 0.000 1.053 968 V CA 2.028 64.287 62.300 -0.069 0.000 1.019 968 V CB -0.864 30.883 31.823 -0.125 0.000 0.646 968 V HN 0.600 nan 8.190 nan 0.000 0.455 969 N N 0.276 118.914 118.700 -0.102 0.000 2.251 969 N HA 0.087 4.825 4.740 -0.004 0.000 0.262 969 N C 0.750 176.253 175.510 -0.011 0.000 1.276 969 N CA 1.065 54.078 53.050 -0.061 0.000 0.897 969 N CB -0.105 38.341 38.487 -0.069 0.000 1.005 969 N HN 0.471 nan 8.380 nan 0.000 0.464 970 G N -0.698 108.107 108.800 0.009 0.000 4.238 970 G HA2 0.160 4.118 3.960 -0.004 0.000 0.292 970 G HA3 0.160 4.118 3.960 -0.004 0.000 0.292 970 G C -0.613 174.305 174.900 0.029 0.000 1.036 970 G CA -0.183 44.927 45.100 0.016 0.000 0.812 970 G HN 0.571 nan 8.290 nan 0.000 0.489 971 N N -0.851 117.878 118.700 0.048 0.000 4.261 971 N HA 0.091 4.829 4.740 -0.004 0.000 0.330 971 N C -0.478 175.064 175.510 0.053 0.000 2.191 971 N CA 0.900 53.982 53.050 0.053 0.000 2.840 971 N CB -1.169 37.338 38.487 0.033 0.000 0.342 971 N HN 1.188 nan 8.380 nan 0.000 0.641 972 S N -0.372 115.361 115.700 0.055 0.000 2.365 972 S HA 0.751 5.219 4.470 -0.004 0.000 0.319 972 S C -0.497 174.121 174.600 0.030 0.000 0.851 972 S CA 0.687 58.914 58.200 0.045 0.000 0.875 972 S CB 0.120 63.355 63.200 0.057 0.000 1.190 972 S HN 1.931 nan 8.310 nan 0.000 0.448 973 A N 0.919 123.747 122.820 0.013 0.000 2.485 973 A HA 0.986 5.304 4.320 -0.004 0.000 0.299 973 A C 0.057 177.639 177.584 -0.003 0.000 0.947 973 A CA 1.324 53.360 52.037 -0.002 0.000 0.595 973 A CB -0.963 18.022 19.000 -0.024 0.000 1.397 973 A HN 2.976 nan 8.150 nan 0.000 0.462 974 D N -1.769 118.627 120.400 -0.007 0.000 10.484 974 D HA 0.491 5.129 4.640 -0.004 0.000 0.318 974 D C 0.476 176.776 176.300 -0.001 0.000 3.002 974 D CA 1.282 55.278 54.000 -0.005 0.000 2.679 974 D CB -1.377 39.419 40.800 -0.007 0.000 1.149 974 D HN 2.536 nan 8.370 nan 0.000 0.891 975 A N 0.868 123.687 122.820 -0.000 0.000 2.420 975 A HA 1.096 5.414 4.320 -0.004 0.000 0.291 975 A C 1.250 178.836 177.584 0.002 0.000 1.228 975 A CA 0.721 52.760 52.037 0.003 0.000 0.933 975 A CB 0.668 19.670 19.000 0.004 0.000 1.428 975 A HN 2.487 nan 8.150 nan 0.000 0.493 976 A N -2.943 119.880 122.820 0.004 0.000 2.287 976 A HA 0.559 4.877 4.320 -0.004 0.000 0.273 976 A C 0.437 178.021 177.584 0.001 0.000 1.091 976 A CA 0.528 52.567 52.037 0.003 0.000 0.817 976 A CB -0.265 18.738 19.000 0.006 0.000 1.069 976 A HN 2.096 nan 8.150 nan 0.000 0.492 977 Y N -1.578 118.721 120.300 -0.001 0.000 2.585 977 Y HA 0.565 5.113 4.550 -0.004 0.000 0.272 977 Y C 1.317 177.216 175.900 -0.001 0.000 1.119 977 Y CA 0.707 58.806 58.100 -0.002 0.000 1.255 977 Y CB -1.235 37.221 38.460 -0.007 0.000 1.284 977 Y HN 2.576 nan 8.280 nan 0.000 0.499 985 R N -0.227 120.275 120.500 0.002 0.000 3.136 985 R HA 0.646 4.984 4.340 -0.004 0.000 0.288 985 R C 0.837 177.154 176.300 0.028 0.000 0.985 985 R CA 1.928 58.041 56.100 0.021 0.000 1.183 985 R CB -0.751 29.565 30.300 0.028 0.000 1.167 985 R HN 2.562 nan 8.270 nan 0.000 0.509 986 A N -2.221 120.627 122.820 0.047 0.000 2.608 986 A HA 0.616 4.934 4.320 -0.004 0.000 0.292 986 A C 0.807 178.438 177.584 0.079 0.000 1.066 986 A CA 0.440 52.511 52.037 0.058 0.000 0.676 986 A CB -0.069 18.968 19.000 0.061 0.000 1.277 986 A HN 1.948 nan 8.150 nan 0.000 0.413 987 N N -0.013 118.739 118.700 0.087 0.000 1.998 987 N HA 0.413 5.151 4.740 -0.004 0.000 0.183 987 N C 2.008 177.608 175.510 0.150 0.000 1.109 987 N CA 3.621 56.737 53.050 0.110 0.000 0.927 987 N CB -1.129 37.408 38.487 0.084 0.000 1.036 987 N HN 2.707 nan 8.380 nan 0.000 0.460 988 I N -2.720 117.986 120.570 0.227 0.000 5.825 988 I HA 0.287 4.455 4.170 -0.004 0.000 0.126 988 I C 0.697 176.931 176.117 0.196 0.000 1.817 988 I CA 1.946 63.399 61.300 0.255 0.000 2.037 988 I CB -3.034 35.055 38.000 0.148 0.000 3.397 988 I HN 1.863 nan 8.210 nan 0.000 0.169 989 Q N 0.688 120.683 119.800 0.324 0.000 2.371 989 Q HA 0.622 4.960 4.340 -0.004 0.000 0.254 989 Q C 0.864 176.888 176.000 0.038 0.000 1.264 989 Q CA 0.875 56.824 55.803 0.243 0.000 0.904 989 Q CB -0.121 28.833 28.738 0.360 0.000 1.507 989 Q HN 1.643 nan 8.270 nan 0.000 0.495 990 L N 1.769 122.896 121.223 -0.160 0.000 2.592 990 L HA 0.105 4.443 4.340 -0.004 0.000 0.227 990 L C 0.448 177.048 176.870 -0.450 0.000 1.127 990 L CA 0.379 54.908 54.840 -0.519 0.000 0.884 990 L CB -0.105 41.639 42.059 -0.527 0.000 1.065 990 L HN 1.030 nan 8.230 nan 0.000 0.457 991 D N 0.229 120.506 120.400 -0.205 0.000 9.364 991 D HA -0.310 4.328 4.640 -0.004 0.000 0.298 991 D C -0.604 175.700 176.300 0.006 0.000 2.555 991 D CA 0.446 54.403 54.000 -0.072 0.000 2.291 991 D CB -0.485 40.143 40.800 -0.287 0.000 1.031 991 D HN -0.147 nan 8.370 nan 0.000 0.758 992 F N 2.935 122.876 119.950 -0.016 0.000 2.471 992 F HA 0.375 4.900 4.527 -0.004 0.000 0.353 992 F C -1.078 174.811 175.800 0.150 0.000 1.113 992 F CA -0.805 57.230 58.000 0.058 0.000 1.262 992 F CB -0.074 38.988 39.000 0.104 0.000 1.146 992 F HN 0.361 nan 8.300 nan 0.000 0.578 993 P HA -0.187 nan 4.420 nan 0.000 0.031 993 P C -0.655 176.734 177.300 0.148 0.000 0.900 993 P CA 0.441 63.590 63.100 0.081 0.000 1.031 993 P CB -0.280 31.360 31.700 -0.099 0.000 1.884 994 E N 3.498 123.799 120.200 0.168 0.000 2.445 994 E HA 0.278 4.626 4.350 -0.004 0.000 0.189 994 E C 0.669 177.342 176.600 0.122 0.000 1.069 994 E CA -0.328 56.198 56.400 0.211 0.000 0.871 994 E CB -0.107 29.694 29.700 0.169 0.000 0.991 994 E HN 0.449 nan 8.360 nan 0.000 0.481 995 L N 1.346 122.592 121.223 0.039 0.000 3.089 995 L HA -0.214 4.123 4.340 -0.004 0.000 0.511 995 L C -0.448 176.431 176.870 0.015 0.000 1.002 995 L CA 0.476 55.321 54.840 0.008 0.000 1.246 995 L CB -0.184 41.895 42.059 0.033 0.000 1.087 995 L HN 0.227 nan 8.230 nan 0.000 0.591 996 K N 5.318 125.693 120.400 -0.041 0.000 2.273 996 K HA 0.373 4.691 4.320 -0.004 0.000 0.287 996 K C -1.636 174.920 176.600 -0.073 0.000 1.089 996 K CA -1.368 54.884 56.287 -0.059 0.000 0.909 996 K CB 0.612 33.026 32.500 -0.143 0.000 1.123 996 K HN 0.325 nan 8.250 nan 0.000 0.473 997 P HA -0.009 nan 4.420 nan 0.000 0.272 997 P C -0.607 176.685 177.300 -0.014 0.000 1.254 997 P CA -0.213 62.900 63.100 0.022 0.000 0.795 997 P CB 0.475 32.209 31.700 0.057 0.000 1.022 998 Y N 0.366 120.685 120.300 0.033 0.000 2.320 998 Y HA 0.167 4.715 4.550 -0.004 0.000 0.334 998 Y C 1.243 177.107 175.900 -0.061 0.000 1.055 998 Y CA -0.484 57.639 58.100 0.037 0.000 1.143 998 Y CB 0.819 39.300 38.460 0.035 0.000 1.193 998 Y HN 0.430 nan 8.280 nan 0.000 0.477 999 K N 3.685 124.184 120.400 0.166 0.000 2.544 999 K HA -0.330 3.987 4.320 -0.004 0.000 0.260 999 K C 0.374 176.918 176.600 -0.092 0.000 1.038 999 K CA 1.393 57.557 56.287 -0.204 0.000 1.064 999 K CB 0.114 32.579 32.500 -0.059 0.000 0.760 999 K HN 0.978 nan 8.250 nan 0.000 0.460 1000 Q N -1.488 118.210 119.800 -0.170 0.000 2.108 1000 Q HA -0.316 4.022 4.340 -0.004 0.000 0.173 1000 Q C 1.472 177.439 176.000 -0.056 0.000 2.879 1000 Q CA 2.239 57.988 55.803 -0.089 0.000 0.364 1000 Q CB -1.853 26.854 28.738 -0.051 0.000 0.359 1000 Q HN 0.597 nan 8.270 nan 0.000 0.457 1001 V N 1.302 121.200 119.914 -0.026 0.000 2.828 1001 V HA -0.247 3.871 4.120 -0.004 0.000 0.260 1001 V C 2.147 178.235 176.094 -0.010 0.000 1.101 1001 V CA 2.310 64.610 62.300 0.001 0.000 1.123 1001 V CB -0.520 31.325 31.823 0.037 0.000 0.704 1001 V HN 0.278 nan 8.190 nan 0.000 0.493 1002 K N -0.324 120.040 120.400 -0.060 0.000 2.067 1002 K HA -0.042 4.275 4.320 -0.004 0.000 0.203 1002 K C 2.066 178.645 176.600 -0.034 0.000 1.048 1002 K CA 0.783 57.033 56.287 -0.061 0.000 0.954 1002 K CB -0.175 32.196 32.500 -0.214 0.000 0.737 1002 K HN 0.468 nan 8.250 nan 0.000 0.444 1003 Q N 0.861 120.622 119.800 -0.065 0.000 2.515 1003 Q HA -0.099 4.239 4.340 -0.004 0.000 0.215 1003 Q C 1.801 177.779 176.000 -0.037 0.000 0.983 1003 Q CA 0.664 56.439 55.803 -0.048 0.000 0.905 1003 Q CB -0.236 28.469 28.738 -0.055 0.000 0.961 1003 Q HN 0.394 nan 8.270 nan 0.000 0.503 1004 I N 0.416 120.970 120.570 -0.027 0.000 2.138 1004 I HA -0.249 3.919 4.170 -0.004 0.000 0.225 1004 I C 2.393 178.488 176.117 -0.037 0.000 1.057 1004 I CA 0.755 62.042 61.300 -0.021 0.000 1.343 1004 I CB -0.836 37.162 38.000 -0.004 0.000 1.118 1004 I HN 0.118 nan 8.210 nan 0.000 0.395 1005 A N 1.777 124.581 122.820 -0.026 0.000 1.870 1005 A HA -0.170 4.148 4.320 -0.004 0.000 0.219 1005 A C -1.183 176.268 177.584 -0.221 0.000 1.286 1005 A CA 1.720 53.712 52.037 -0.074 0.000 0.682 1005 A CB -2.780 16.233 19.000 0.021 0.000 0.844 1005 A HN 0.378 nan 8.150 nan 0.000 0.460 1006 P HA 0.260 nan 4.420 nan 0.000 0.265 1006 P C -0.565 176.656 177.300 -0.132 0.000 1.193 1006 P CA 0.556 63.475 63.100 -0.301 0.000 0.765 1006 P CB 0.559 32.149 31.700 -0.184 0.000 0.823 1007 A N 3.491 126.256 122.820 -0.090 0.000 2.489 1007 A HA -0.010 4.308 4.320 -0.004 0.000 0.289 1007 A C 1.430 179.011 177.584 -0.005 0.000 1.216 1007 A CA -0.067 51.956 52.037 -0.023 0.000 0.883 1007 A CB -0.661 18.351 19.000 0.020 0.000 1.110 1007 A HN 0.554 nan 8.150 nan 0.000 0.523 1008 E N 2.047 122.238 120.200 -0.015 0.000 2.510 1008 E HA -0.117 4.231 4.350 -0.004 0.000 0.202 1008 E C 0.579 177.183 176.600 0.006 0.000 1.072 1008 E CA 0.502 56.896 56.400 -0.010 0.000 0.883 1008 E CB -0.066 29.622 29.700 -0.018 0.000 0.818 1008 E HN 0.749 nan 8.360 nan 0.000 0.548 1009 L N 0.846 122.082 121.223 0.022 0.000 2.786 1009 L HA -0.078 4.260 4.340 -0.004 0.000 0.250 1009 L C 1.814 178.716 176.870 0.054 0.000 1.151 1009 L CA 0.848 55.709 54.840 0.036 0.000 0.910 1009 L CB -0.256 41.834 42.059 0.052 0.000 1.082 1009 L HN -0.086 nan 8.230 nan 0.000 0.433 1010 E N -0.835 119.390 120.200 0.041 0.000 2.279 1010 E HA 0.225 4.573 4.350 -0.004 0.000 0.199 1010 E C 1.673 178.277 176.600 0.006 0.000 0.893 1010 E CA 0.785 57.209 56.400 0.041 0.000 0.978 1010 E CB -0.249 29.480 29.700 0.049 0.000 0.964 1010 E HN 0.215 nan 8.360 nan 0.000 0.486 1011 G N 2.392 111.187 108.800 -0.008 0.000 2.672 1011 G HA2 -0.332 3.626 3.960 -0.004 0.000 0.324 1011 G HA3 -0.332 3.626 3.960 -0.004 0.000 0.324 1011 G C 0.032 174.914 174.900 -0.030 0.000 1.286 1011 G CA 0.774 45.863 45.100 -0.018 0.000 1.004 1011 G HN 0.230 nan 8.290 nan 0.000 0.548 1012 L N 1.076 122.283 121.223 -0.027 0.000 2.344 1012 L HA 0.827 5.165 4.340 -0.004 0.000 0.272 1012 L C 0.844 177.698 176.870 -0.026 0.000 1.035 1012 L CA 0.490 55.308 54.840 -0.036 0.000 0.807 1012 L CB 1.551 43.590 42.059 -0.032 0.000 1.237 1012 L HN 1.427 nan 8.230 nan 0.000 0.442 1013 L N 0.203 121.408 121.223 -0.030 0.000 5.496 1013 L HA 0.186 4.524 4.340 -0.004 0.000 0.570 1013 L C -1.307 175.548 176.870 -0.025 0.000 0.655 1013 L CA 0.560 55.390 54.840 -0.016 0.000 2.355 1013 L CB -0.652 41.405 42.059 -0.004 0.000 1.736 1013 L HN 0.635 nan 8.230 nan 0.000 0.541 1014 D N 0.440 120.816 120.400 -0.039 0.000 2.662 1014 D HA 0.215 4.853 4.640 -0.004 0.000 0.132 1014 D C 0.693 176.965 176.300 -0.046 0.000 1.465 1014 D CA 0.294 54.268 54.000 -0.044 0.000 1.524 1014 D CB 0.369 41.146 40.800 -0.039 0.000 1.871 1014 D HN 0.119 nan 8.370 nan 0.000 0.213 1015 L N 0.703 121.891 121.223 -0.058 0.000 3.760 1015 L HA -0.352 3.986 4.340 -0.004 0.000 0.513 1015 L C 1.113 177.953 176.870 -0.049 0.000 1.173 1015 L CA 2.086 56.888 54.840 -0.064 0.000 0.822 1015 L CB -0.127 41.887 42.059 -0.077 0.000 0.237 1015 L HN 0.855 nan 8.230 nan 0.000 0.940 1016 E N -0.864 119.306 120.200 -0.050 0.000 4.174 1016 E HA -0.262 4.086 4.350 -0.004 0.000 0.374 1016 E C 0.530 177.113 176.600 -0.029 0.000 0.582 1016 E CA 1.729 58.106 56.400 -0.038 0.000 1.359 1016 E CB -0.280 29.400 29.700 -0.034 0.000 1.820 1016 E HN 0.645 nan 8.360 nan 0.000 0.388 1017 R N 0.305 120.789 120.500 -0.028 0.000 2.668 1017 R HA 0.307 4.645 4.340 -0.004 0.000 0.435 1017 R C -0.779 175.520 176.300 -0.003 0.000 1.059 1017 R CA 0.226 56.315 56.100 -0.019 0.000 1.073 1017 R CB 1.979 32.263 30.300 -0.027 0.000 1.401 1017 R HN -0.011 nan 8.270 nan 0.000 0.590 1018 V N 1.794 121.704 119.914 -0.006 0.000 2.540 1018 V HA 0.468 4.586 4.120 -0.004 0.000 0.302 1018 V C -0.785 175.310 176.094 0.001 0.000 1.035 1018 V CA -0.844 61.468 62.300 0.021 0.000 0.873 1018 V CB 1.707 33.530 31.823 -0.001 0.000 0.992 1018 V HN 0.073 nan 8.190 nan 0.000 0.428 1019 I N 6.785 127.369 120.570 0.023 0.000 2.437 1019 I HA 0.634 4.802 4.170 -0.004 0.000 0.298 1019 I C -0.079 176.040 176.117 0.003 0.000 0.984 1019 I CA -0.317 60.989 61.300 0.009 0.000 1.214 1019 I CB 1.695 39.706 38.000 0.017 0.000 1.365 1019 I HN 0.363 nan 8.210 nan 0.000 0.469 1020 V N 5.443 125.352 119.914 -0.008 0.000 3.087 1020 V HA 0.359 4.476 4.120 -0.004 0.000 0.306 1020 V C -0.399 175.705 176.094 0.017 0.000 1.187 1020 V CA -0.836 61.457 62.300 -0.012 0.000 0.999 1020 V CB 2.857 34.649 31.823 -0.052 0.000 1.049 1020 V HN 0.366 nan 8.190 nan 0.000 0.431 1021 V N 2.642 122.574 119.914 0.031 0.000 2.405 1021 V HA 0.166 4.284 4.120 -0.004 0.000 0.264 1021 V C 1.194 177.412 176.094 0.207 0.000 1.048 1021 V CA 0.424 62.774 62.300 0.084 0.000 0.966 1021 V CB 0.666 32.489 31.823 0.001 0.000 1.015 1021 V HN 1.100 nan 8.190 nan 0.000 0.477 1022 T N 3.153 117.828 114.554 0.202 0.000 2.976 1022 T HA 0.242 4.590 4.350 -0.004 0.000 0.257 1022 T C 0.807 175.791 174.700 0.474 0.000 1.051 1022 T CA 1.004 63.238 62.100 0.224 0.000 1.141 1022 T CB 0.293 69.235 68.868 0.124 0.000 0.881 1022 T HN 0.834 nan 8.240 nan 0.000 0.461 1023 G N 0.875 109.931 108.800 0.427 0.000 2.692 1023 G HA2 0.576 4.533 3.960 -0.004 0.000 0.291 1023 G HA3 0.576 4.533 3.960 -0.004 0.000 0.291 1023 G C -1.912 173.236 174.900 0.413 0.000 1.423 1023 G CA -0.888 44.497 45.100 0.476 0.000 0.843 1023 G HN 0.219 nan 8.290 nan 0.000 0.486 1024 F N -1.517 118.423 119.950 -0.017 0.000 2.770 1024 F HA 0.938 5.463 4.527 -0.003 0.000 0.313 1024 F C -0.820 174.963 175.800 -0.028 0.000 1.154 1024 F CA -1.723 56.259 58.000 -0.030 0.000 0.923 1024 F CB 1.169 40.106 39.000 -0.105 0.000 1.301 1024 F HN 1.667 nan 8.300 nan 0.000 0.449 1025 A N 1.387 124.023 122.820 -0.306 0.000 2.581 1025 A HA 0.636 4.954 4.320 -0.004 0.000 0.294 1025 A C -1.847 175.676 177.584 -0.101 0.000 1.035 1025 A CA -0.348 51.474 52.037 -0.359 0.000 0.684 1025 A CB 1.387 20.284 19.000 -0.171 0.000 1.282 1025 A HN 1.287 nan 8.150 nan 0.000 0.417 1026 E N 0.496 120.649 120.200 -0.080 0.000 2.266 1026 E HA 0.660 5.008 4.350 -0.004 0.000 0.268 1026 E C -1.331 175.357 176.600 0.145 0.000 0.879 1026 E CA -1.066 55.398 56.400 0.107 0.000 0.762 1026 E CB 2.200 31.874 29.700 -0.043 0.000 1.199 1026 E HN 0.480 nan 8.360 nan 0.000 0.422 1027 V N 2.066 122.148 119.914 0.279 0.000 2.250 1027 V HA 0.622 4.740 4.120 -0.004 0.000 0.268 1027 V C 0.192 176.455 176.094 0.280 0.000 1.043 1027 V CA -0.142 62.285 62.300 0.212 0.000 0.814 1027 V CB 0.340 32.257 31.823 0.156 0.000 1.072 1027 V HN 0.806 nan 8.190 nan 0.000 0.451 1028 G N 3.167 112.193 108.800 0.377 0.000 2.798 1028 G HA2 0.662 4.620 3.960 -0.004 0.000 0.286 1028 G HA3 0.662 4.620 3.960 -0.004 0.000 0.286 1028 G C -1.862 173.457 174.900 0.698 0.000 1.389 1028 G CA -1.387 44.115 45.100 0.670 0.000 0.894 1028 G HN 0.284 nan 8.290 nan 0.000 0.488 1029 P HA -0.165 nan 4.420 nan 0.000 0.225 1029 P C -0.530 176.474 177.300 -0.493 0.000 1.155 1029 P CA 1.535 64.553 63.100 -0.136 0.000 0.863 1029 P CB 0.029 31.623 31.700 -0.177 0.000 0.774 1030 W N -0.983 120.387 121.300 0.117 0.000 2.844 1030 W HA 0.607 5.265 4.660 -0.003 0.000 0.340 1030 W C 0.487 177.106 176.519 0.168 0.000 1.093 1030 W CA -0.732 56.688 57.345 0.126 0.000 1.212 1030 W CB 0.348 29.869 29.460 0.101 0.000 1.422 1030 W HN -0.170 nan 8.180 nan 0.000 0.515 1031 G N 1.899 110.923 108.800 0.373 0.000 2.228 1031 G HA2 0.148 4.106 3.960 -0.004 0.000 0.242 1031 G HA3 0.148 4.106 3.960 -0.004 0.000 0.242 1031 G C 0.428 175.493 174.900 0.274 0.000 0.987 1031 G CA 0.094 45.383 45.100 0.314 0.000 0.893 1031 G HN 0.785 nan 8.290 nan 0.000 0.418 1032 S N 2.475 118.330 115.700 0.259 0.000 3.799 1032 S HA 0.170 4.638 4.470 -0.004 0.000 0.454 1032 S C 1.694 176.340 174.600 0.078 0.000 1.130 1032 S CA 0.793 59.087 58.200 0.158 0.000 0.966 1032 S CB -0.438 62.858 63.200 0.161 0.000 0.680 1032 S HN 2.471 nan 8.310 nan 0.000 0.496 1033 A N 5.203 128.002 122.820 -0.034 0.000 5.326 1033 A HA -0.434 3.884 4.320 -0.004 0.000 0.379 1033 A C 1.937 179.538 177.584 0.028 0.000 1.574 1033 A CA 2.818 54.788 52.037 -0.113 0.000 0.834 1033 A CB -1.862 16.934 19.000 -0.341 0.000 1.524 1033 A HN 1.233 nan 8.150 nan 0.000 0.448 1034 R N -2.454 118.059 120.500 0.022 0.000 2.589 1034 R HA -0.354 3.984 4.340 -0.004 0.000 0.146 1034 R C 2.056 178.466 176.300 0.182 0.000 0.641 1034 R CA 3.059 59.233 56.100 0.122 0.000 0.238 1034 R CB -2.051 28.329 30.300 0.134 0.000 0.605 1034 R HN 0.892 nan 8.270 nan 0.000 0.237 1035 T N 0.735 115.426 114.554 0.229 0.000 2.529 1035 T HA -0.235 4.113 4.350 -0.004 0.000 0.261 1035 T C 1.652 176.491 174.700 0.233 0.000 1.110 1035 T CA 2.353 64.666 62.100 0.356 0.000 1.192 1035 T CB -0.368 68.755 68.868 0.426 0.000 0.864 1035 T HN 0.459 nan 8.240 nan 0.000 0.407 1036 R N 1.304 121.915 120.500 0.185 0.000 2.119 1036 R HA -0.130 4.208 4.340 -0.004 0.000 0.246 1036 R C 2.247 178.449 176.300 -0.163 0.000 1.146 1036 R CA 1.724 57.778 56.100 -0.076 0.000 0.962 1036 R CB -1.727 28.521 30.300 -0.086 0.000 0.863 1036 R HN 0.718 nan 8.270 nan 0.000 0.442 1037 W N 2.042 123.198 121.300 -0.240 0.000 2.317 1037 W HA -0.228 4.430 4.660 -0.004 0.000 0.318 1037 W C 1.378 177.628 176.519 -0.448 0.000 1.227 1037 W CA 1.871 59.045 57.345 -0.284 0.000 1.269 1037 W CB -0.105 29.220 29.460 -0.224 0.000 1.155 1037 W HN 0.282 nan 8.180 nan 0.000 0.484 1038 E N -0.383 119.497 120.200 -0.533 0.000 2.187 1038 E HA -0.300 4.048 4.350 -0.004 0.000 0.199 1038 E C 2.131 178.100 176.600 -1.052 0.000 1.004 1038 E CA 1.712 57.544 56.400 -0.947 0.000 0.813 1038 E CB -0.289 29.094 29.700 -0.529 0.000 0.736 1038 E HN 0.314 nan 8.360 nan 0.000 0.468 1039 M N -0.410 118.698 119.600 -0.819 0.000 2.325 1039 M HA -0.068 4.410 4.480 -0.004 0.000 0.265 1039 M C 2.202 178.094 176.300 -0.680 0.000 1.094 1039 M CA 0.997 55.798 55.300 -0.832 0.000 1.161 1039 M CB -0.525 31.440 32.600 -1.057 0.000 1.358 1039 M HN 0.002 nan 8.290 nan 0.000 0.446 1040 E N 0.649 120.494 120.200 -0.593 0.000 2.204 1040 E HA -0.106 4.242 4.350 -0.004 0.000 0.195 1040 E C 1.667 177.966 176.600 -0.502 0.000 0.990 1040 E CA 1.562 57.719 56.400 -0.404 0.000 0.821 1040 E CB 0.141 29.761 29.700 -0.134 0.000 0.750 1040 E HN 0.370 nan 8.360 nan 0.000 0.477 1041 A N -0.400 121.882 122.820 -0.897 0.000 1.849 1041 A HA 0.208 4.526 4.320 -0.004 0.000 0.214 1041 A C 0.662 178.125 177.584 -0.203 0.000 1.269 1041 A CA 1.065 52.567 52.037 -0.892 0.000 0.605 1041 A CB -0.307 17.651 19.000 -1.737 0.000 0.937 1041 A HN 0.277 nan 8.150 nan 0.000 0.461 1042 F N -2.870 116.786 119.950 -0.490 0.000 3.064 1042 F HA 0.707 5.231 4.527 -0.004 0.000 0.322 1042 F C 1.702 177.306 175.800 -0.327 0.000 1.463 1042 F CA -0.899 56.909 58.000 -0.319 0.000 1.044 1042 F CB -0.310 38.537 39.000 -0.255 0.000 1.743 1042 F HN 0.141 nan 8.300 nan 0.000 0.423 1043 G N -1.029 107.747 108.800 -0.040 0.000 2.729 1043 G HA2 0.149 4.107 3.960 -0.004 0.000 0.211 1043 G HA3 0.149 4.107 3.960 -0.004 0.000 0.211 1043 G C 0.446 175.165 174.900 -0.302 0.000 1.182 1043 G CA -0.073 44.922 45.100 -0.174 0.000 0.851 1043 G HN 0.385 nan 8.290 nan 0.000 0.607 1044 E N -0.728 119.376 120.200 -0.161 0.000 2.766 1044 E HA 0.237 4.585 4.350 -0.004 0.000 0.261 1044 E C 0.532 176.902 176.600 -0.384 0.000 1.427 1044 E CA -0.059 56.245 56.400 -0.160 0.000 1.085 1044 E CB 0.429 30.145 29.700 0.027 0.000 1.074 1044 E HN 0.212 nan 8.360 nan 0.000 0.651 1045 F N -0.607 119.364 119.950 0.035 0.000 2.581 1045 F HA 0.007 4.532 4.527 -0.004 0.000 0.278 1045 F C 0.355 176.194 175.800 0.066 0.000 1.000 1045 F CA 0.615 58.636 58.000 0.036 0.000 1.230 1045 F CB 0.081 39.124 39.000 0.071 0.000 1.008 1045 F HN 0.453 nan 8.300 nan 0.000 0.695 1046 S N 1.398 117.255 115.700 0.262 0.000 3.285 1046 S HA -0.231 4.237 4.470 -0.004 0.000 0.852 1046 S C 0.565 175.275 174.600 0.184 0.000 1.066 1046 S CA -0.008 58.302 58.200 0.184 0.000 1.184 1046 S CB -1.825 61.468 63.200 0.154 0.000 0.953 1046 S HN 0.453 nan 8.310 nan 0.000 0.299 1047 L N 1.750 123.061 121.223 0.146 0.000 3.482 1047 L HA -0.459 3.878 4.340 -0.004 0.000 0.181 1047 L C 2.847 179.809 176.870 0.154 0.000 3.902 1047 L CA 2.241 57.159 54.840 0.130 0.000 1.098 1047 L CB -1.794 40.330 42.059 0.107 0.000 3.139 1047 L HN 1.055 nan 8.230 nan 0.000 0.556 1048 E N 0.785 121.077 120.200 0.154 0.000 2.245 1048 E HA -0.302 4.045 4.350 -0.004 0.000 0.217 1048 E C 1.855 178.578 176.600 0.204 0.000 1.069 1048 E CA 2.187 58.692 56.400 0.175 0.000 0.877 1048 E CB -1.056 28.743 29.700 0.166 0.000 0.757 1048 E HN 0.802 nan 8.360 nan 0.000 0.464 1049 G N 1.029 109.967 108.800 0.229 0.000 2.473 1049 G HA2 -0.215 3.743 3.960 -0.004 0.000 0.212 1049 G HA3 -0.215 3.743 3.960 -0.004 0.000 0.212 1049 G C 1.868 176.918 174.900 0.250 0.000 1.211 1049 G CA 0.993 46.266 45.100 0.289 0.000 0.813 1049 G HN 0.479 nan 8.290 nan 0.000 0.541 1050 C N 0.542 119.996 119.300 0.257 0.000 2.318 1050 C HA -0.203 4.255 4.460 -0.004 0.000 0.272 1050 C C 3.046 178.048 174.990 0.021 0.000 1.156 1050 C CA 1.933 60.995 59.018 0.073 0.000 1.783 1050 C CB -1.155 26.677 27.740 0.153 0.000 2.023 1050 C HN 0.284 nan 8.230 nan 0.000 0.437 1051 V N 1.016 120.990 119.914 0.100 0.000 2.250 1051 V HA -0.336 3.782 4.120 -0.004 0.000 0.253 1051 V C 2.556 178.766 176.094 0.193 0.000 1.065 1051 V CA 2.745 65.121 62.300 0.126 0.000 1.039 1051 V CB -1.186 30.714 31.823 0.128 0.000 0.647 1051 V HN 0.728 nan 8.190 nan 0.000 0.446 1052 E N -0.761 119.573 120.200 0.225 0.000 2.114 1052 E HA -0.286 4.061 4.350 -0.004 0.000 0.199 1052 E C 2.292 179.089 176.600 0.327 0.000 1.008 1052 E CA 1.875 58.486 56.400 0.352 0.000 0.810 1052 E CB -0.085 29.822 29.700 0.344 0.000 0.739 1052 E HN 0.425 nan 8.360 nan 0.000 0.456 1053 M N 0.259 119.928 119.600 0.114 0.000 2.084 1053 M HA -0.152 4.326 4.480 -0.004 0.000 0.259 1053 M C 2.518 178.898 176.300 0.133 0.000 1.072 1053 M CA 1.695 57.005 55.300 0.017 0.000 1.107 1053 M CB -1.499 30.915 32.600 -0.311 0.000 1.299 1053 M HN 0.207 nan 8.290 nan 0.000 0.413 1054 A N -1.329 121.565 122.820 0.123 0.000 2.139 1054 A HA -0.219 4.099 4.320 -0.004 0.000 0.221 1054 A C 1.971 179.751 177.584 0.327 0.000 1.159 1054 A CA 1.488 53.660 52.037 0.225 0.000 0.662 1054 A CB -1.147 17.904 19.000 0.086 0.000 0.796 1054 A HN 0.744 nan 8.150 nan 0.000 0.463 1055 W N 0.450 121.827 121.300 0.129 0.000 2.481 1055 W HA 0.160 4.818 4.660 -0.003 0.000 0.293 1055 W C 0.997 177.568 176.519 0.086 0.000 1.201 1055 W CA 0.592 58.006 57.345 0.115 0.000 1.328 1055 W CB -0.266 29.260 29.460 0.111 0.000 1.112 1055 W HN 0.193 nan 8.180 nan 0.000 0.546 1056 I N 0.997 121.465 120.570 -0.171 0.000 3.191 1056 I HA -0.117 4.051 4.170 -0.004 0.000 0.210 1056 I C 1.925 177.886 176.117 -0.260 0.000 1.343 1056 I CA 0.244 61.269 61.300 -0.458 0.000 0.679 1056 I CB -0.491 37.396 38.000 -0.189 0.000 1.798 1056 I HN 0.002 nan 8.210 nan 0.000 0.943 1057 M N -0.348 119.108 119.600 -0.241 0.000 2.806 1057 M HA -0.315 4.163 4.480 -0.004 0.000 0.148 1057 M C 1.231 177.240 176.300 -0.484 0.000 0.696 1057 M CA 1.486 56.612 55.300 -0.289 0.000 0.564 1057 M CB -1.938 30.570 32.600 -0.154 0.000 2.074 1057 M HN 1.058 nan 8.290 nan 0.000 0.263 1058 G N -1.206 107.360 108.800 -0.391 0.000 2.176 1058 G HA2 -0.289 3.669 3.960 -0.004 0.000 0.253 1058 G HA3 -0.289 3.669 3.960 -0.004 0.000 0.253 1058 G C 0.214 174.976 174.900 -0.230 0.000 0.979 1058 G CA 0.472 45.371 45.100 -0.335 0.000 0.641 1058 G HN 0.402 nan 8.290 nan 0.000 0.530 1059 F N 1.050 120.972 119.950 -0.047 0.000 1.980 1059 F HA 0.219 4.744 4.527 -0.004 0.000 0.298 1059 F C 2.103 177.920 175.800 0.028 0.000 1.255 1059 F CA 1.606 59.603 58.000 -0.005 0.000 1.179 1059 F CB -0.954 38.050 39.000 0.007 0.000 0.957 1059 F HN 0.378 nan 8.300 nan 0.000 0.507 1060 I N -1.127 119.639 120.570 0.328 0.000 2.764 1060 I HA 0.355 4.523 4.170 -0.004 0.000 0.294 1060 I C 0.580 176.863 176.117 0.276 0.000 1.045 1060 I CA -0.029 61.420 61.300 0.248 0.000 1.340 1060 I CB 1.200 39.339 38.000 0.231 0.000 1.436 1060 I HN 0.280 nan 8.210 nan 0.000 0.567 1061 S N 2.448 118.319 115.700 0.284 0.000 2.976 1061 S HA 0.182 4.649 4.470 -0.004 0.000 0.252 1061 S C 0.158 175.001 174.600 0.405 0.000 0.940 1061 S CA -0.094 58.315 58.200 0.348 0.000 1.283 1061 S CB -1.190 62.144 63.200 0.223 0.000 1.194 1061 S HN 1.298 nan 8.310 nan 0.000 0.662 1062 Y N 2.492 122.938 120.300 0.243 0.000 3.267 1062 Y HA -0.350 4.198 4.550 -0.004 0.000 0.387 1062 Y C 0.185 176.282 175.900 0.328 0.000 1.220 1062 Y CA 1.730 59.999 58.100 0.282 0.000 1.292 1062 Y CB -1.345 37.255 38.460 0.233 0.000 1.152 1062 Y HN 0.905 nan 8.280 nan 0.000 0.503 1063 H N 0.857 119.372 119.070 -0.926 0.000 2.944 1063 H HA -0.188 4.366 4.556 -0.004 0.000 0.313 1063 H C 0.741 175.947 175.328 -0.203 0.000 1.293 1063 H CA 0.593 56.184 56.048 -0.761 0.000 1.173 1063 H CB -1.206 28.296 29.762 -0.433 0.000 1.420 1063 H HN 0.771 nan 8.280 nan 0.000 0.432 1064 N N 1.639 120.383 118.700 0.074 0.000 2.617 1064 N HA 0.069 4.806 4.740 -0.004 0.000 0.198 1064 N C 0.740 176.251 175.510 0.002 0.000 1.317 1064 N CA 1.527 54.618 53.050 0.068 0.000 0.892 1064 N CB 0.003 38.620 38.487 0.216 0.000 1.041 1064 N HN 0.814 nan 8.380 nan 0.000 0.450 1065 G N 0.515 109.292 108.800 -0.039 0.000 2.612 1065 G HA2 -0.223 3.735 3.960 -0.004 0.000 0.686 1065 G HA3 -0.223 3.735 3.960 -0.004 0.000 0.686 1065 G C 0.064 175.054 174.900 0.151 0.000 1.274 1065 G CA -0.332 44.812 45.100 0.073 0.000 0.849 1065 G HN 0.257 nan 8.290 nan 0.000 0.595 1066 N N -0.818 117.918 118.700 0.060 0.000 2.289 1066 N HA -0.042 4.696 4.740 -0.004 0.000 0.184 1066 N C 1.242 176.743 175.510 -0.015 0.000 1.016 1066 N CA 1.808 54.804 53.050 -0.091 0.000 0.872 1066 N CB 0.021 38.446 38.487 -0.103 0.000 0.973 1066 N HN 0.613 nan 8.380 nan 0.000 0.433 1067 L N -1.196 120.072 121.223 0.074 0.000 2.770 1067 L HA 0.080 4.418 4.340 -0.004 0.000 0.242 1067 L C 0.080 176.985 176.870 0.058 0.000 0.939 1067 L CA -0.110 54.801 54.840 0.118 0.000 1.240 1067 L CB 0.017 42.127 42.059 0.085 0.000 1.604 1067 L HN -0.148 nan 8.230 nan 0.000 0.400 1068 K N -0.584 119.831 120.400 0.025 0.000 3.564 1068 K HA -0.209 4.109 4.320 -0.004 0.000 0.278 1068 K C 0.895 177.499 176.600 0.007 0.000 1.048 1068 K CA 1.287 57.580 56.287 0.010 0.000 1.109 1068 K CB -1.561 30.942 32.500 0.006 0.000 1.405 1068 K HN 0.951 nan 8.250 nan 0.000 0.452 1069 G N 1.039 109.849 108.800 0.016 0.000 1.990 1069 G HA2 -0.222 3.736 3.960 -0.004 0.000 0.705 1069 G HA3 -0.222 3.736 3.960 -0.004 0.000 0.705 1069 G C -0.025 174.888 174.900 0.022 0.000 1.350 1069 G CA 0.731 45.843 45.100 0.020 0.000 1.103 1069 G HN 0.498 nan 8.290 nan 0.000 0.530 1070 R N 0.798 121.322 120.500 0.039 0.000 2.474 1070 R HA -0.050 4.288 4.340 -0.004 0.000 0.275 1070 R C -1.027 175.367 176.300 0.156 0.000 0.945 1070 R CA 0.210 56.369 56.100 0.098 0.000 1.115 1070 R CB -0.008 30.378 30.300 0.144 0.000 0.874 1070 R HN 0.242 nan 8.270 nan 0.000 0.421 1071 P HA -0.386 nan 4.420 nan 0.000 0.266 1071 P C 0.044 177.492 177.300 0.248 0.000 0.796 1071 P CA 2.579 65.803 63.100 0.208 0.000 1.064 1071 P CB -0.692 31.143 31.700 0.225 0.000 0.853 1072 Y N -0.540 119.781 120.300 0.034 0.000 2.954 1072 Y HA 0.155 4.703 4.550 -0.004 0.000 0.521 1072 Y C 1.174 177.110 175.900 0.059 0.000 1.395 1072 Y CA 0.077 58.202 58.100 0.041 0.000 2.222 1072 Y CB -1.952 36.530 38.460 0.037 0.000 1.786 1072 Y HN 0.007 nan 8.280 nan 0.000 0.687 1073 T N -0.184 114.172 114.554 -0.329 0.000 2.897 1073 T HA 0.606 4.954 4.350 -0.004 0.000 0.278 1073 T C 0.238 174.520 174.700 -0.697 0.000 0.981 1073 T CA 0.365 62.267 62.100 -0.331 0.000 0.973 1073 T CB 0.761 69.596 68.868 -0.054 0.000 1.092 1073 T HN 1.309 nan 8.240 nan 0.000 0.543 1074 G N 0.072 108.750 108.800 -0.203 0.000 2.295 1074 G HA2 0.248 4.206 3.960 -0.004 0.000 0.195 1074 G HA3 0.248 4.206 3.960 -0.004 0.000 0.195 1074 G C -1.412 173.621 174.900 0.222 0.000 1.269 1074 G CA 0.094 45.136 45.100 -0.098 0.000 1.170 1074 G HN 1.205 nan 8.290 nan 0.000 0.511 1075 W N -2.639 118.624 121.300 -0.063 0.000 2.943 1075 W HA 0.553 5.211 4.660 -0.004 0.000 0.405 1075 W C -0.602 175.975 176.519 0.096 0.000 0.560 1075 W CA 0.660 58.028 57.345 0.037 0.000 1.148 1075 W CB -0.768 28.763 29.460 0.119 0.000 1.310 1075 W HN 2.228 nan 8.180 nan 0.000 0.587 1076 V N -2.483 117.501 119.914 0.116 0.000 3.047 1076 V HA 0.247 4.365 4.120 -0.004 0.000 0.266 1076 V C -1.331 175.049 176.094 0.476 0.000 1.900 1076 V CA -0.621 61.590 62.300 -0.148 0.000 0.937 1076 V CB 1.000 32.755 31.823 -0.114 0.000 1.366 1076 V HN 0.669 nan 8.190 nan 0.000 0.442 1077 D N 2.201 122.782 120.400 0.301 0.000 2.402 1077 D HA 0.396 5.033 4.640 -0.004 0.000 0.235 1077 D C 0.158 176.614 176.300 0.260 0.000 1.226 1077 D CA 0.913 55.136 54.000 0.373 0.000 0.918 1077 D CB 1.011 41.933 40.800 0.203 0.000 1.043 1077 D HN 0.914 nan 8.370 nan 0.000 0.506 1078 S N 3.389 119.264 115.700 0.291 0.000 2.545 1078 S HA 0.208 4.676 4.470 -0.004 0.000 0.275 1078 S C -0.023 174.671 174.600 0.157 0.000 1.299 1078 S CA -0.693 57.613 58.200 0.177 0.000 1.048 1078 S CB 0.742 64.035 63.200 0.155 0.000 0.938 1078 S HN 0.440 nan 8.310 nan 0.000 0.496 1079 K N 3.185 123.648 120.400 0.105 0.000 2.123 1079 K HA 0.483 4.801 4.320 -0.004 0.000 0.248 1079 K C -0.434 176.224 176.600 0.096 0.000 0.969 1079 K CA 0.091 56.445 56.287 0.111 0.000 0.882 1079 K CB 0.701 33.244 32.500 0.073 0.000 1.080 1079 K HN 0.978 nan 8.250 nan 0.000 0.441 1080 T N 0.095 114.730 114.554 0.135 0.000 0.541 1080 T HA -0.208 4.140 4.350 -0.004 0.000 0.774 1080 T C 0.852 175.584 174.700 0.054 0.000 0.992 1080 T CA 0.560 62.725 62.100 0.110 0.000 4.077 1080 T CB -0.799 68.131 68.868 0.103 0.000 2.303 1080 T HN 0.996 nan 8.240 nan 0.000 0.398 1081 K N 1.663 122.078 120.400 0.024 0.000 2.248 1081 K HA -0.342 3.976 4.320 -0.004 0.000 0.216 1081 K C 1.138 177.741 176.600 0.005 0.000 0.902 1081 K CA 2.754 59.041 56.287 -0.001 0.000 0.975 1081 K CB -0.894 31.603 32.500 -0.004 0.000 1.016 1081 K HN 1.119 nan 8.250 nan 0.000 0.508 1082 E N -0.965 119.243 120.200 0.013 0.000 2.951 1082 E HA 0.071 4.419 4.350 -0.004 0.000 0.110 1082 E C -2.398 174.210 176.600 0.012 0.000 0.875 1082 E CA -0.140 56.267 56.400 0.012 0.000 1.559 1082 E CB 0.640 30.339 29.700 -0.003 0.000 0.927 1082 E HN 0.283 nan 8.360 nan 0.000 0.336 1083 P HA -0.020 nan 4.420 nan 0.000 0.199 1083 P C 0.889 178.192 177.300 0.006 0.000 1.059 1083 P CA 0.450 63.556 63.100 0.010 0.000 0.723 1083 P CB 0.107 31.815 31.700 0.013 0.000 0.680 1084 V N 2.364 122.275 119.914 -0.004 0.000 3.394 1084 V HA -0.065 4.053 4.120 -0.004 0.000 0.340 1084 V C 1.552 177.637 176.094 -0.016 0.000 1.174 1084 V CA 0.786 63.073 62.300 -0.022 0.000 1.368 1084 V CB -2.266 29.521 31.823 -0.059 0.000 1.111 1084 V HN 0.212 nan 8.190 nan 0.000 0.420 1085 D N 0.820 121.226 120.400 0.010 0.000 2.200 1085 D HA -0.215 4.423 4.640 -0.004 0.000 0.192 1085 D C 0.653 176.965 176.300 0.020 0.000 1.008 1085 D CA 1.227 55.245 54.000 0.029 0.000 0.872 1085 D CB -0.267 40.555 40.800 0.036 0.000 0.923 1085 D HN 0.479 nan 8.370 nan 0.000 0.447 1086 D N 2.656 123.065 120.400 0.014 0.000 4.884 1086 D HA -0.130 4.508 4.640 -0.004 0.000 0.256 1086 D C 1.155 177.454 176.300 -0.001 0.000 1.544 1086 D CA 0.808 54.819 54.000 0.018 0.000 1.066 1086 D CB -0.038 40.768 40.800 0.010 0.000 1.319 1086 D HN 0.319 nan 8.370 nan 0.000 0.745 1087 K N 0.666 121.072 120.400 0.011 0.000 2.075 1087 K HA -0.328 3.990 4.320 -0.004 0.000 0.144 1087 K C -0.286 176.314 176.600 0.000 0.000 1.038 1087 K CA 1.651 57.940 56.287 0.003 0.000 0.321 1087 K CB -0.690 31.844 32.500 0.058 0.000 0.709 1087 K HN 0.537 nan 8.250 nan 0.000 0.762 1088 D N -0.500 119.896 120.400 -0.008 0.000 3.515 1088 D HA -0.087 4.551 4.640 -0.004 0.000 0.247 1088 D C -0.881 175.505 176.300 0.143 0.000 1.084 1088 D CA 1.018 54.977 54.000 -0.069 0.000 1.030 1088 D CB -0.682 40.033 40.800 -0.142 0.000 0.946 1088 D HN 0.469 nan 8.370 nan 0.000 0.420 1089 V N -0.203 119.915 119.914 0.341 0.000 2.498 1089 V HA 0.277 4.394 4.120 -0.004 0.000 0.279 1089 V C 1.753 177.945 176.094 0.162 0.000 1.048 1089 V CA -0.553 61.845 62.300 0.164 0.000 0.967 1089 V CB 1.799 33.666 31.823 0.072 0.000 0.988 1089 V HN 0.344 nan 8.190 nan 0.000 0.473 1090 K N 3.284 123.742 120.400 0.097 0.000 2.227 1090 K HA -0.265 4.053 4.320 -0.004 0.000 0.208 1090 K C 1.561 178.205 176.600 0.074 0.000 1.045 1090 K CA 1.867 58.206 56.287 0.087 0.000 0.931 1090 K CB -0.718 31.820 32.500 0.064 0.000 0.721 1090 K HN 0.981 nan 8.250 nan 0.000 0.469 1091 A N 2.260 125.102 122.820 0.036 0.000 2.198 1091 A HA -0.222 4.096 4.320 -0.004 0.000 0.747 1091 A C 1.686 179.248 177.584 -0.036 0.000 1.329 1091 A CA 1.400 53.422 52.037 -0.027 0.000 2.245 1091 A CB -0.413 18.523 19.000 -0.108 0.000 1.338 1091 A HN 0.204 nan 8.150 nan 0.000 0.756 1092 K N -1.544 118.771 120.400 -0.141 0.000 2.189 1092 K HA -0.185 4.133 4.320 -0.004 0.000 0.207 1092 K C 0.736 177.334 176.600 -0.004 0.000 1.046 1092 K CA 1.734 57.947 56.287 -0.123 0.000 0.928 1092 K CB -0.712 31.641 32.500 -0.244 0.000 0.720 1092 K HN 0.546 nan 8.250 nan 0.000 0.458 1093 Y N 0.152 120.451 120.300 -0.003 0.000 2.701 1093 Y HA 0.086 4.634 4.550 -0.003 0.000 0.479 1093 Y C 1.985 177.875 175.900 -0.017 0.000 1.395 1093 Y CA 0.320 58.413 58.100 -0.011 0.000 2.112 1093 Y CB -0.797 37.658 38.460 -0.008 0.000 1.802 1093 Y HN 0.320 nan 8.280 nan 0.000 0.674 1094 E N -1.067 119.235 120.200 0.170 0.000 3.182 1094 E HA -0.285 4.063 4.350 -0.004 0.000 0.399 1094 E C -0.005 176.592 176.600 -0.006 0.000 1.476 1094 E CA 2.025 58.461 56.400 0.060 0.000 1.220 1094 E CB -1.886 27.859 29.700 0.075 0.000 1.538 1094 E HN 0.590 nan 8.360 nan 0.000 0.480 1095 T N 0.796 115.352 114.554 0.004 0.000 2.848 1095 T HA 0.258 4.606 4.350 -0.004 0.000 0.340 1095 T C 1.080 175.742 174.700 -0.063 0.000 1.091 1095 T CA 1.753 63.827 62.100 -0.043 0.000 1.123 1095 T CB -0.028 68.846 68.868 0.010 0.000 1.042 1095 T HN 0.719 nan 8.240 nan 0.000 0.544 1096 S N 0.475 116.072 115.700 -0.172 0.000 4.159 1096 S HA -0.237 4.231 4.470 -0.004 0.000 0.548 1096 S C 1.254 175.762 174.600 -0.155 0.000 1.865 1096 S CA 0.755 58.877 58.200 -0.129 0.000 4.250 1096 S CB -1.445 61.775 63.200 0.033 0.000 0.203 1096 S HN 0.819 nan 8.310 nan 0.000 0.454 1097 I N 2.297 122.829 120.570 -0.065 0.000 3.384 1097 I HA -0.079 4.089 4.170 -0.004 0.000 0.310 1097 I C 0.222 176.229 176.117 -0.183 0.000 1.279 1097 I CA 1.150 62.394 61.300 -0.094 0.000 1.283 1097 I CB -0.258 37.669 38.000 -0.121 0.000 1.011 1097 I HN 0.422 nan 8.210 nan 0.000 0.566 1098 L N -1.420 119.631 121.223 -0.286 0.000 4.914 1098 L HA 0.158 4.496 4.340 -0.004 0.000 0.494 1098 L C 0.779 177.346 176.870 -0.506 0.000 0.929 1098 L CA 0.266 54.815 54.840 -0.485 0.000 1.912 1098 L CB -0.816 40.981 42.059 -0.437 0.000 1.710 1098 L HN 0.158 nan 8.230 nan 0.000 0.601 1099 E N 0.107 120.010 120.200 -0.496 0.000 4.569 1099 E HA 0.090 4.438 4.350 -0.004 0.000 0.455 1099 E C 1.298 177.600 176.600 -0.497 0.000 1.200 1099 E CA 0.860 57.000 56.400 -0.434 0.000 2.838 1099 E CB 0.332 29.856 29.700 -0.294 0.000 1.844 1099 E HN 0.403 nan 8.360 nan 0.000 0.714 1100 H N -0.908 118.182 119.070 0.033 0.000 1.452 1100 H HA -0.367 4.187 4.556 -0.004 0.000 0.090 1100 H C 1.603 176.956 175.328 0.041 0.000 1.308 1100 H CA 2.784 58.864 56.048 0.055 0.000 1.901 1100 H CB -2.139 27.648 29.762 0.041 0.000 2.257 1100 H HN 0.370 nan 8.280 nan 0.000 0.961 1101 S N 0.424 116.327 115.700 0.339 0.000 2.440 1101 S HA -0.085 4.382 4.470 -0.004 0.000 0.238 1101 S C 2.387 177.053 174.600 0.109 0.000 1.010 1101 S CA 1.024 59.343 58.200 0.197 0.000 0.972 1101 S CB -1.108 62.221 63.200 0.214 0.000 0.774 1101 S HN 0.928 nan 8.310 nan 0.000 0.501 1102 G N 0.742 109.513 108.800 -0.047 0.000 2.615 1102 G HA2 0.088 4.046 3.960 -0.004 0.000 0.213 1102 G HA3 0.088 4.046 3.960 -0.004 0.000 0.213 1102 G C 0.939 175.848 174.900 0.014 0.000 1.135 1102 G CA 0.954 45.984 45.100 -0.117 0.000 0.772 1102 G HN 0.622 nan 8.290 nan 0.000 0.542 1103 I N -1.813 118.804 120.570 0.078 0.000 4.518 1103 I HA 0.255 4.423 4.170 -0.004 0.000 0.247 1103 I C 0.531 176.654 176.117 0.011 0.000 0.994 1103 I CA -0.912 60.437 61.300 0.082 0.000 2.009 1103 I CB -0.031 38.109 38.000 0.233 0.000 1.547 1103 I HN -0.279 nan 8.210 nan 0.000 0.463 1104 R N 3.611 124.142 120.500 0.052 0.000 3.908 1104 R HA -0.023 4.315 4.340 -0.004 0.000 0.299 1104 R C -0.095 176.190 176.300 -0.025 0.000 0.624 1104 R CA 0.802 56.900 56.100 -0.003 0.000 0.997 1104 R CB -1.116 29.198 30.300 0.022 0.000 0.917 1104 R HN 0.534 nan 8.270 nan 0.000 0.339 1105 L N 1.546 122.717 121.223 -0.087 0.000 1.217 1105 L HA -0.061 4.277 4.340 -0.004 0.000 0.503 1105 L C 0.307 177.163 176.870 -0.024 0.000 0.787 1105 L CA -0.013 54.844 54.840 0.028 0.000 2.047 1105 L CB -0.334 41.950 42.059 0.375 0.000 1.280 1105 L HN 0.320 nan 8.230 nan 0.000 0.437 1106 I N 1.302 121.710 120.570 -0.270 0.000 2.781 1106 I HA 0.235 4.402 4.170 -0.004 0.000 0.303 1106 I C 0.695 176.330 176.117 -0.804 0.000 1.161 1106 I CA 0.602 61.519 61.300 -0.638 0.000 1.341 1106 I CB 0.181 37.741 38.000 -0.733 0.000 1.585 1106 I HN 0.265 nan 8.210 nan 0.000 0.567 1107 E N 1.628 121.492 120.200 -0.561 0.000 0.413 1107 E HA 0.076 4.424 4.350 -0.004 0.000 0.136 1107 E C -2.630 173.808 176.600 -0.271 0.000 2.519 1107 E CA -0.238 55.934 56.400 -0.380 0.000 1.491 1107 E CB -0.601 28.984 29.700 -0.192 0.000 0.458 1107 E HN -0.129 nan 8.360 nan 0.000 0.896 1108 P HA -0.095 nan 4.420 nan 0.000 0.273 1108 P C -0.064 177.131 177.300 -0.175 0.000 1.193 1108 P CA 2.146 65.163 63.100 -0.138 0.000 0.777 1108 P CB 0.192 31.837 31.700 -0.092 0.000 0.803 1109 E N -0.567 119.570 120.200 -0.104 0.000 4.252 1109 E HA -0.201 4.147 4.350 -0.004 0.000 0.373 1109 E C 1.324 177.913 176.600 -0.020 0.000 0.570 1109 E CA 1.126 57.477 56.400 -0.083 0.000 1.570 1109 E CB -1.728 27.848 29.700 -0.207 0.000 1.887 1109 E HN 0.520 nan 8.360 nan 0.000 0.407 1110 L N -2.948 118.262 121.223 -0.022 0.000 3.898 1110 L HA -0.336 4.002 4.340 -0.004 0.000 0.382 1110 L C 1.084 178.014 176.870 0.100 0.000 0.711 1110 L CA 1.277 56.168 54.840 0.085 0.000 2.828 1110 L CB -1.037 41.130 42.059 0.179 0.000 0.852 1110 L HN 0.210 nan 8.230 nan 0.000 0.694 1111 F N -0.867 119.005 119.950 -0.131 0.000 2.183 1111 F HA -0.235 4.290 4.527 -0.004 0.000 0.318 1111 F C 0.711 176.541 175.800 0.049 0.000 0.129 1111 F CA 1.741 59.672 58.000 -0.114 0.000 0.912 1111 F CB -0.583 38.120 39.000 -0.495 0.000 4.135 1111 F HN 0.502 nan 8.300 nan 0.000 0.137 1112 N N -1.176 117.875 118.700 0.585 0.000 4.835 1112 N HA 0.405 5.142 4.740 -0.004 0.000 0.204 1112 N C -0.311 175.393 175.510 0.323 0.000 1.197 1112 N CA 0.837 54.124 53.050 0.396 0.000 0.816 1112 N CB 0.771 39.401 38.487 0.237 0.000 1.534 1112 N HN 1.836 nan 8.380 nan 0.000 0.497 1113 G N 0.114 109.015 108.800 0.170 0.000 2.147 1113 G HA2 -0.297 3.661 3.960 -0.004 0.000 0.244 1113 G HA3 -0.297 3.661 3.960 -0.004 0.000 0.244 1113 G C 0.016 174.889 174.900 -0.044 0.000 1.005 1113 G CA 1.023 46.148 45.100 0.042 0.000 0.713 1113 G HN 0.524 nan 8.290 nan 0.000 0.515 1114 Y N 0.053 120.342 120.300 -0.017 0.000 2.624 1114 Y HA 0.254 4.802 4.550 -0.004 0.000 0.260 1114 Y C 1.872 177.771 175.900 -0.002 0.000 1.090 1114 Y CA 1.256 59.340 58.100 -0.026 0.000 1.347 1114 Y CB 0.533 39.008 38.460 0.024 0.000 1.349 1114 Y HN 0.304 nan 8.280 nan 0.000 0.502 1115 N N 1.011 119.853 118.700 0.237 0.000 2.535 1115 N HA 0.195 4.933 4.740 -0.004 0.000 0.294 1115 N C -2.495 173.012 175.510 -0.004 0.000 1.408 1115 N CA -0.632 52.479 53.050 0.103 0.000 0.927 1115 N CB 0.899 39.449 38.487 0.106 0.000 1.276 1115 N HN 0.258 nan 8.380 nan 0.000 0.505 1116 P HA 0.165 nan 4.420 nan 0.000 0.310 1116 P C 0.206 177.507 177.300 0.001 0.000 1.351 1116 P CA 0.393 63.486 63.100 -0.012 0.000 1.116 1116 P CB 0.729 32.399 31.700 -0.049 0.000 1.589 1117 E N -0.751 119.452 120.200 0.006 0.000 2.662 1117 E HA 0.052 4.400 4.350 -0.004 0.000 0.205 1117 E C 0.944 177.555 176.600 0.018 0.000 1.003 1117 E CA -0.073 56.334 56.400 0.011 0.000 1.685 1117 E CB -0.833 28.855 29.700 -0.021 0.000 2.386 1117 E HN -0.292 nan 8.360 nan 0.000 1.092 1118 K N 2.240 122.632 120.400 -0.013 0.000 4.391 1118 K HA -0.252 4.066 4.320 -0.004 0.000 0.257 1118 K C 0.895 177.513 176.600 0.029 0.000 0.667 1118 K CA 0.944 57.218 56.287 -0.022 0.000 0.542 1118 K CB -0.873 31.591 32.500 -0.060 0.000 2.054 1118 K HN 0.216 nan 8.250 nan 0.000 0.397 1119 K N 1.741 122.160 120.400 0.032 0.000 2.127 1119 K HA -0.283 4.035 4.320 -0.004 0.000 0.212 1119 K C 0.699 177.340 176.600 0.068 0.000 1.050 1119 K CA 2.338 58.659 56.287 0.057 0.000 0.929 1119 K CB 0.057 32.589 32.500 0.053 0.000 0.715 1119 K HN 0.614 nan 8.250 nan 0.000 0.457 1120 E N -2.766 117.470 120.200 0.060 0.000 4.976 1120 E HA -0.327 4.021 4.350 -0.004 0.000 0.222 1120 E C 1.386 178.035 176.600 0.081 0.000 0.944 1120 E CA 2.008 58.461 56.400 0.088 0.000 1.778 1120 E CB -1.445 28.324 29.700 0.115 0.000 1.790 1120 E HN 0.366 nan 8.360 nan 0.000 0.404 1121 M N 0.181 119.822 119.600 0.068 0.000 2.123 1121 M HA 0.023 4.501 4.480 -0.004 0.000 0.263 1121 M C 1.692 178.037 176.300 0.076 0.000 1.069 1121 M CA 1.162 56.496 55.300 0.057 0.000 1.133 1121 M CB -0.188 32.441 32.600 0.047 0.000 1.356 1121 M HN 0.221 nan 8.290 nan 0.000 0.415 1122 I N -1.279 119.342 120.570 0.085 0.000 2.448 1122 I HA 0.395 4.563 4.170 -0.004 0.000 0.281 1122 I C -0.535 175.610 176.117 0.047 0.000 1.027 1122 I CA -0.689 60.678 61.300 0.113 0.000 1.111 1122 I CB 1.356 39.480 38.000 0.206 0.000 1.236 1122 I HN 0.045 nan 8.210 nan 0.000 0.452 1123 Q N 5.071 124.884 119.800 0.021 0.000 2.279 1123 Q HA 0.198 4.536 4.340 -0.004 0.000 0.256 1123 Q C -0.330 175.574 176.000 -0.160 0.000 0.937 1123 Q CA -0.328 55.437 55.803 -0.064 0.000 0.933 1123 Q CB 1.319 30.020 28.738 -0.062 0.000 1.189 1123 Q HN 0.734 nan 8.270 nan 0.000 0.417 1124 E N 3.296 123.348 120.200 -0.247 0.000 2.265 1124 E HA 0.202 4.550 4.350 -0.004 0.000 0.272 1124 E C -1.209 175.196 176.600 -0.324 0.000 1.067 1124 E CA -0.223 55.927 56.400 -0.418 0.000 0.900 1124 E CB 0.540 30.008 29.700 -0.387 0.000 1.017 1124 E HN 0.371 nan 8.360 nan 0.000 0.431 1125 V N 4.919 124.635 119.914 -0.330 0.000 3.102 1125 V HA 0.512 4.630 4.120 -0.004 0.000 0.312 1125 V C 0.002 175.983 176.094 -0.190 0.000 1.135 1125 V CA -0.953 61.230 62.300 -0.195 0.000 1.022 1125 V CB 1.969 33.729 31.823 -0.106 0.000 1.056 1125 V HN 0.573 nan 8.190 nan 0.000 0.436 1126 I N 0.852 121.363 120.570 -0.099 0.000 2.750 1126 I HA 0.687 4.855 4.170 -0.004 0.000 0.308 1126 I C -0.985 175.130 176.117 -0.003 0.000 1.016 1126 I CA -1.010 60.254 61.300 -0.059 0.000 1.098 1126 I CB 2.228 40.205 38.000 -0.038 0.000 1.279 1126 I HN 0.256 nan 8.210 nan 0.000 0.454 1127 V N 3.107 123.034 119.914 0.022 0.000 2.789 1127 V HA 0.283 4.401 4.120 -0.004 0.000 0.311 1127 V C -0.586 175.524 176.094 0.027 0.000 1.073 1127 V CA -0.613 61.708 62.300 0.035 0.000 0.921 1127 V CB 2.251 34.106 31.823 0.054 0.000 1.009 1127 V HN 0.858 nan 8.190 nan 0.000 0.426 1128 E N 4.194 124.408 120.200 0.023 0.000 2.214 1128 E HA 0.756 5.104 4.350 -0.004 0.000 0.274 1128 E C -0.702 175.900 176.600 0.004 0.000 0.977 1128 E CA -0.653 55.755 56.400 0.013 0.000 0.827 1128 E CB 2.216 31.927 29.700 0.019 0.000 1.130 1128 E HN 0.817 nan 8.360 nan 0.000 0.394 1129 E N 1.539 121.732 120.200 -0.013 0.000 2.368 1129 E HA 0.339 4.686 4.350 -0.004 0.000 0.257 1129 E C -1.238 175.324 176.600 -0.064 0.000 1.022 1129 E CA -0.822 55.561 56.400 -0.029 0.000 0.886 1129 E CB 1.076 30.761 29.700 -0.024 0.000 1.740 1129 E HN 0.554 nan 8.360 nan 0.000 0.456 1130 D N 0.496 120.833 120.400 -0.105 0.000 4.082 1130 D HA 0.134 4.772 4.640 -0.004 0.000 0.255 1130 D C 0.086 176.225 176.300 -0.268 0.000 1.427 1130 D CA -0.381 53.499 54.000 -0.200 0.000 0.804 1130 D CB -1.178 39.470 40.800 -0.254 0.000 1.364 1130 D HN 0.500 nan 8.370 nan 0.000 0.809 1131 L N -0.318 120.796 121.223 -0.181 0.000 2.506 1131 L HA -0.118 4.220 4.340 -0.004 0.000 0.326 1131 L C 0.726 177.454 176.870 -0.236 0.000 1.373 1131 L CA 0.813 55.555 54.840 -0.164 0.000 0.824 1131 L CB -0.062 41.933 42.059 -0.107 0.000 0.993 1131 L HN 0.003 nan 8.230 nan 0.000 0.648 1132 E N -0.745 119.359 120.200 -0.161 0.000 2.585 1132 E HA 0.228 4.576 4.350 -0.004 0.000 0.206 1132 E C -2.156 174.368 176.600 -0.127 0.000 1.007 1132 E CA -0.773 55.529 56.400 -0.164 0.000 1.028 1132 E CB -0.120 29.540 29.700 -0.067 0.000 1.087 1132 E HN 0.479 nan 8.360 nan 0.000 0.455 1133 P HA 0.544 nan 4.420 nan 0.000 0.329 1133 P C -0.787 176.379 177.300 -0.224 0.000 1.293 1133 P CA -0.505 62.631 63.100 0.059 0.000 0.813 1133 P CB 1.019 32.777 31.700 0.096 0.000 1.960 1134 F N -3.028 116.923 119.950 0.003 0.000 2.877 1134 F HA 0.381 4.907 4.527 -0.002 0.000 0.319 1134 F C 0.699 176.504 175.800 0.008 0.000 1.174 1134 F CA -0.436 57.573 58.000 0.015 0.000 0.903 1134 F CB 0.672 39.686 39.000 0.023 0.000 1.357 1134 F HN 0.099 nan 8.300 nan 0.000 0.472 1135 E N 0.403 120.724 120.200 0.202 0.000 3.701 1135 E HA 0.614 4.962 4.350 -0.004 0.000 0.206 1135 E C -0.710 175.937 176.600 0.079 0.000 1.229 1135 E CA 0.666 57.131 56.400 0.108 0.000 1.573 1135 E CB 0.587 30.326 29.700 0.065 0.000 1.449 1135 E HN 0.918 nan 8.360 nan 0.000 0.618 1136 A N 0.999 123.862 122.820 0.073 0.000 3.364 1136 A HA 0.025 4.342 4.320 -0.004 0.000 0.262 1136 A C 0.227 177.825 177.584 0.023 0.000 1.301 1136 A CA 0.334 52.397 52.037 0.043 0.000 0.745 1136 A CB -2.270 16.748 19.000 0.029 0.000 1.039 1136 A HN 0.388 nan 8.150 nan 0.000 0.428 1137 S N 0.239 115.953 115.700 0.024 0.000 2.672 1137 S HA 0.808 5.276 4.470 -0.004 0.000 0.276 1137 S C 0.051 174.647 174.600 -0.006 0.000 1.207 1137 S CA 0.018 58.226 58.200 0.012 0.000 1.002 1137 S CB 1.962 65.175 63.200 0.021 0.000 0.998 1137 S HN 1.004 nan 8.310 nan 0.000 0.542 1138 K N -0.049 120.343 120.400 -0.014 0.000 2.288 1138 K HA 0.577 4.895 4.320 -0.004 0.000 0.234 1138 K C -0.273 176.310 176.600 -0.028 0.000 1.037 1138 K CA -0.478 55.786 56.287 -0.037 0.000 0.914 1138 K CB 0.672 33.148 32.500 -0.041 0.000 1.197 1138 K HN 0.929 nan 8.250 nan 0.000 0.471 1139 E N -1.062 119.109 120.200 -0.048 0.000 0.509 1139 E HA 0.021 4.369 4.350 -0.004 0.000 0.135 1139 E C -1.395 175.176 176.600 -0.048 0.000 2.486 1139 E CA -0.269 56.116 56.400 -0.025 0.000 1.468 1139 E CB -0.463 29.246 29.700 0.015 0.000 0.620 1139 E HN 0.691 nan 8.360 nan 0.000 0.885 1140 T N -1.774 112.767 114.554 -0.022 0.000 2.821 1140 T HA 0.838 5.186 4.350 -0.004 0.000 0.306 1140 T C 0.157 174.892 174.700 0.058 0.000 1.313 1140 T CA -0.407 61.675 62.100 -0.030 0.000 1.012 1140 T CB 1.546 70.417 68.868 0.004 0.000 1.298 1140 T HN 1.088 nan 8.240 nan 0.000 0.502 1141 A N 0.870 123.705 122.820 0.025 0.000 2.504 1141 A HA 0.430 4.748 4.320 -0.004 0.000 0.242 1141 A C 1.233 179.063 177.584 0.410 0.000 1.100 1141 A CA 1.140 53.357 52.037 0.299 0.000 0.786 1141 A CB -1.188 17.910 19.000 0.163 0.000 1.050 1141 A HN 1.308 nan 8.150 nan 0.000 0.512 1142 E N -1.571 118.822 120.200 0.322 0.000 3.989 1142 E HA -0.414 3.934 4.350 -0.004 0.000 0.213 1142 E C 1.650 177.881 176.600 -0.616 0.000 1.243 1142 E CA 1.988 58.190 56.400 -0.331 0.000 2.156 1142 E CB -1.335 28.251 29.700 -0.190 0.000 1.852 1142 E HN 0.814 nan 8.360 nan 0.000 0.298 1143 Q N -0.680 118.960 119.800 -0.268 0.000 2.293 1143 Q HA -0.282 4.056 4.340 -0.004 0.000 0.218 1143 Q C 2.176 178.141 176.000 -0.059 0.000 1.015 1143 Q CA 2.894 58.625 55.803 -0.120 0.000 0.941 1143 Q CB -0.376 28.395 28.738 0.055 0.000 0.979 1143 Q HN 0.581 nan 8.270 nan 0.000 0.416 1144 F N -1.333 118.521 119.950 -0.161 0.000 2.383 1144 F HA 0.242 4.767 4.527 -0.003 0.000 0.287 1144 F C 1.917 177.706 175.800 -0.018 0.000 1.069 1144 F CA 0.234 58.199 58.000 -0.059 0.000 1.402 1144 F CB -0.666 38.302 39.000 -0.054 0.000 1.116 1144 F HN -0.275 nan 8.300 nan 0.000 0.549 1145 K N 0.338 119.313 120.400 -2.375 0.000 2.097 1145 K HA -0.292 4.026 4.320 -0.004 0.000 0.214 1145 K C 1.954 178.268 176.600 -0.476 0.000 1.052 1145 K CA 2.583 57.974 56.287 -1.493 0.000 0.932 1145 K CB -0.575 31.335 32.500 -0.983 0.000 0.716 1145 K HN 0.593 nan 8.250 nan 0.000 0.455 1146 H N -1.018 117.860 119.070 -0.321 0.000 2.253 1146 H HA -0.175 4.379 4.556 -0.003 0.000 0.296 1146 H C 2.332 177.612 175.328 -0.079 0.000 1.067 1146 H CA 1.209 57.171 56.048 -0.143 0.000 1.245 1146 H CB -0.173 29.538 29.762 -0.085 0.000 1.364 1146 H HN 0.159 nan 8.280 nan 0.000 0.494 1147 Q N -0.104 119.751 119.800 0.093 0.000 2.250 1147 Q HA -0.283 4.055 4.340 -0.004 0.000 0.215 1147 Q C 2.065 178.148 176.000 0.137 0.000 1.002 1147 Q CA 2.177 58.041 55.803 0.102 0.000 0.910 1147 Q CB -0.273 28.536 28.738 0.119 0.000 0.939 1147 Q HN 0.615 nan 8.270 nan 0.000 0.416 1148 H N -2.395 116.644 119.070 -0.051 0.000 2.266 1148 H HA 0.016 4.570 4.556 -0.003 0.000 0.308 1148 H C 1.622 176.943 175.328 -0.011 0.000 1.057 1148 H CA 0.619 56.653 56.048 -0.024 0.000 1.330 1148 H CB -0.246 29.457 29.762 -0.098 0.000 1.400 1148 H HN 0.422 nan 8.280 nan 0.000 0.503 1149 G N 0.355 109.072 108.800 -0.138 0.000 2.689 1149 G HA2 -0.255 3.703 3.960 -0.004 0.000 0.216 1149 G HA3 -0.255 3.703 3.960 -0.004 0.000 0.216 1149 G C 0.893 175.738 174.900 -0.092 0.000 1.119 1149 G CA 1.072 46.057 45.100 -0.191 0.000 0.732 1149 G HN 0.492 nan 8.290 nan 0.000 0.576 1150 D N 0.300 120.688 120.400 -0.021 0.000 2.733 1150 D HA 0.067 4.705 4.640 -0.004 0.000 0.262 1150 D C 0.442 176.771 176.300 0.049 0.000 1.497 1150 D CA 0.243 54.254 54.000 0.017 0.000 1.101 1150 D CB 0.197 41.023 40.800 0.043 0.000 1.014 1150 D HN -0.008 nan 8.370 nan 0.000 0.319 1151 K N 1.997 122.460 120.400 0.105 0.000 2.237 1151 K HA 0.192 4.510 4.320 -0.004 0.000 0.283 1151 K C -0.282 176.459 176.600 0.234 0.000 1.080 1151 K CA -0.109 56.284 56.287 0.176 0.000 0.965 1151 K CB 0.273 32.899 32.500 0.209 0.000 1.098 1151 K HN -0.013 nan 8.250 nan 0.000 0.434 1152 V N 1.174 121.210 119.914 0.204 0.000 2.960 1152 V HA -0.231 3.887 4.120 -0.004 0.000 0.282 1152 V C 1.701 177.904 176.094 0.181 0.000 1.420 1152 V CA 0.475 62.851 62.300 0.126 0.000 1.448 1152 V CB 0.291 32.188 31.823 0.123 0.000 0.886 1152 V HN 0.831 nan 8.190 nan 0.000 0.522 1153 D N 2.563 123.085 120.400 0.203 0.000 2.239 1153 D HA -0.198 4.439 4.640 -0.004 0.000 0.202 1153 D C 1.639 177.992 176.300 0.089 0.000 0.993 1153 D CA 1.930 56.140 54.000 0.350 0.000 0.874 1153 D CB 0.147 41.204 40.800 0.427 0.000 0.922 1153 D HN 0.894 nan 8.370 nan 0.000 0.464 1154 I N -3.113 117.419 120.570 -0.064 0.000 3.555 1154 I HA 0.040 4.208 4.170 -0.004 0.000 0.304 1154 I C -0.740 174.906 176.117 -0.786 0.000 1.246 1154 I CA 0.329 61.407 61.300 -0.369 0.000 1.220 1154 I CB -0.460 37.269 38.000 -0.451 0.000 1.001 1154 I HN -0.248 nan 8.210 nan 0.000 0.513 1155 F N 1.956 121.955 119.950 0.081 0.000 3.508 1155 F HA 0.398 4.923 4.527 -0.004 0.000 0.414 1155 F C -0.531 175.348 175.800 0.132 0.000 1.119 1155 F CA -0.755 57.302 58.000 0.095 0.000 1.383 1155 F CB 0.149 39.176 39.000 0.046 0.000 2.460 1155 F HN 0.230 nan 8.300 nan 0.000 0.737 1156 E N 2.446 122.802 120.200 0.259 0.000 7.592 1156 E HA -0.094 4.254 4.350 -0.004 0.000 0.435 1156 E C -1.901 174.791 176.600 0.153 0.000 0.467 1156 E CA 0.246 56.770 56.400 0.206 0.000 0.881 1156 E CB -0.435 29.387 29.700 0.204 0.000 0.959 1156 E HN 0.553 nan 8.360 nan 0.000 0.262 1157 I N 3.817 124.441 120.570 0.089 0.000 2.740 1157 I HA 0.517 4.684 4.170 -0.004 0.000 0.303 1157 I C -1.553 174.539 176.117 -0.043 0.000 1.044 1157 I CA -2.198 59.087 61.300 -0.024 0.000 1.064 1157 I CB 1.837 39.835 38.000 -0.003 0.000 1.249 1157 I HN 0.336 nan 8.210 nan 0.000 0.433 1158 P HA 0.128 nan 4.420 nan 0.000 0.204 1158 P C -0.417 176.813 177.300 -0.116 0.000 1.214 1158 P CA 0.814 63.906 63.100 -0.014 0.000 0.902 1158 P CB 0.493 32.306 31.700 0.188 0.000 0.733 1159 E N -2.872 117.244 120.200 -0.140 0.000 8.839 1159 E HA -0.086 4.262 4.350 -0.004 0.000 0.490 1159 E C -0.619 175.828 176.600 -0.255 0.000 1.298 1159 E CA 0.637 56.944 56.400 -0.155 0.000 2.312 1159 E CB -1.936 27.697 29.700 -0.112 0.000 1.006 1159 E HN 0.256 nan 8.360 nan 0.000 0.262 1160 T N 0.675 115.112 114.554 -0.195 0.000 2.788 1160 T HA 0.609 4.957 4.350 -0.004 0.000 0.296 1160 T C 0.201 174.774 174.700 -0.211 0.000 1.009 1160 T CA 0.142 62.106 62.100 -0.226 0.000 0.949 1160 T CB 0.347 69.119 68.868 -0.160 0.000 0.946 1160 T HN 0.688 nan 8.240 nan 0.000 0.453 1161 G N 4.784 113.425 108.800 -0.264 0.000 2.985 1161 G HA2 0.370 4.328 3.960 -0.004 0.000 0.282 1161 G HA3 0.370 4.328 3.960 -0.004 0.000 0.282 1161 G C 0.308 174.929 174.900 -0.465 0.000 0.791 1161 G CA -0.733 44.184 45.100 -0.305 0.000 1.934 1161 G HN 0.827 nan 8.290 nan 0.000 0.563 1162 E N 1.081 121.060 120.200 -0.370 0.000 2.566 1162 E HA -0.176 4.172 4.350 -0.004 0.000 0.272 1162 E C 0.796 176.966 176.600 -0.716 0.000 1.229 1162 E CA 0.379 56.586 56.400 -0.321 0.000 1.103 1162 E CB -0.380 29.306 29.700 -0.023 0.000 1.040 1162 E HN 1.127 nan 8.360 nan 0.000 0.479 1163 Y N -2.540 117.739 120.300 -0.035 0.000 3.515 1163 Y HA -0.318 4.229 4.550 -0.004 0.000 0.214 1163 Y C 0.154 176.035 175.900 -0.032 0.000 1.166 1163 Y CA 0.802 58.885 58.100 -0.029 0.000 1.435 1163 Y CB -1.969 36.477 38.460 -0.024 0.000 1.414 1163 Y HN 0.604 nan 8.280 nan 0.000 0.608 1164 S N -1.728 113.811 115.700 -0.268 0.000 4.107 1164 S HA 0.645 5.113 4.470 -0.004 0.000 0.275 1164 S C 0.563 175.047 174.600 -0.193 0.000 1.010 1164 S CA 0.248 58.309 58.200 -0.231 0.000 1.267 1164 S CB 0.024 63.004 63.200 -0.366 0.000 1.820 1164 S HN 0.980 nan 8.310 nan 0.000 0.449 1165 V N -0.085 119.700 119.914 -0.214 0.000 5.271 1165 V HA 0.740 4.858 4.120 -0.004 0.000 0.171 1165 V C -0.240 175.680 176.094 -0.289 0.000 1.167 1165 V CA -0.115 62.062 62.300 -0.205 0.000 1.392 1165 V CB -0.498 31.227 31.823 -0.163 0.000 2.159 1165 V HN 0.676 nan 8.190 nan 0.000 0.354 1166 K N -1.077 119.118 120.400 -0.341 0.000 2.469 1166 K HA 0.576 4.894 4.320 -0.004 0.000 0.268 1166 K C -0.803 175.602 176.600 -0.324 0.000 1.027 1166 K CA -0.686 55.334 56.287 -0.444 0.000 0.893 1166 K CB 2.562 34.525 32.500 -0.894 0.000 1.460 1166 K HN 0.341 nan 8.250 nan 0.000 0.449 1167 L N 0.484 121.537 121.223 -0.284 0.000 2.822 1167 L HA 0.517 4.855 4.340 -0.004 0.000 0.153 1167 L C -0.222 176.575 176.870 -0.122 0.000 1.695 1167 L CA -0.170 54.571 54.840 -0.164 0.000 2.336 1167 L CB 0.394 42.382 42.059 -0.120 0.000 2.854 1167 L HN 0.512 nan 8.230 nan 0.000 0.610 1168 L N -0.990 120.204 121.223 -0.049 0.000 3.153 1168 L HA 0.155 4.493 4.340 -0.004 0.000 0.265 1168 L C -1.182 175.719 176.870 0.050 0.000 0.964 1168 L CA -0.558 54.292 54.840 0.016 0.000 1.048 1168 L CB 1.042 43.120 42.059 0.032 0.000 1.543 1168 L HN 0.552 nan 8.230 nan 0.000 0.395 1169 K N 0.295 120.744 120.400 0.080 0.000 1.540 1169 K HA 0.067 4.385 4.320 -0.004 0.000 0.692 1169 K C -0.092 176.588 176.600 0.132 0.000 1.812 1169 K CA 2.123 58.469 56.287 0.099 0.000 1.347 1169 K CB -0.812 31.737 32.500 0.082 0.000 2.262 1169 K HN 1.592 nan 8.250 nan 0.000 0.565 1170 G N -0.513 108.377 108.800 0.150 0.000 2.591 1170 G HA2 0.580 4.538 3.960 -0.004 0.000 0.104 1170 G HA3 0.580 4.538 3.960 -0.004 0.000 0.104 1170 G C -0.057 174.880 174.900 0.061 0.000 1.097 1170 G CA 0.611 45.858 45.100 0.245 0.000 1.076 1170 G HN 1.992 nan 8.290 nan 0.000 0.485 1171 A N -2.204 120.672 122.820 0.094 0.000 6.880 1171 A HA 0.162 4.480 4.320 -0.004 0.000 0.254 1171 A C 0.779 178.143 177.584 -0.367 0.000 2.140 1171 A CA 1.565 53.645 52.037 0.070 0.000 0.766 1171 A CB -1.527 17.648 19.000 0.292 0.000 0.986 1171 A HN 2.008 nan 8.150 nan 0.000 0.395 1172 T N 1.259 115.766 114.554 -0.078 0.000 3.240 1172 T HA 0.471 4.819 4.350 -0.004 0.000 0.248 1172 T C 0.862 175.096 174.700 -0.777 0.000 0.929 1172 T CA 0.717 62.579 62.100 -0.397 0.000 0.939 1172 T CB -1.046 67.791 68.868 -0.052 0.000 1.114 1172 T HN 1.501 nan 8.240 nan 0.000 0.558 1173 L N -0.659 120.250 121.223 -0.524 0.000 6.030 1173 L HA -0.245 4.093 4.340 -0.004 0.000 0.053 1173 L C -0.896 175.705 176.870 -0.449 0.000 2.908 1173 L CA 1.008 55.553 54.840 -0.491 0.000 1.356 1173 L CB -1.215 40.547 42.059 -0.494 0.000 3.049 1173 L HN 0.479 nan 8.230 nan 0.000 1.083 1174 Y N -0.468 119.748 120.300 -0.140 0.000 2.642 1174 Y HA 0.114 4.662 4.550 -0.004 0.000 0.036 1174 Y C 0.473 176.310 175.900 -0.105 0.000 1.839 1174 Y CA 0.300 58.300 58.100 -0.165 0.000 1.317 1174 Y CB -1.531 36.748 38.460 -0.300 0.000 1.971 1174 Y HN 0.676 nan 8.280 nan 0.000 0.275 1175 I N -0.780 119.784 120.570 -0.011 0.000 1.560 1175 I HA -0.195 3.973 4.170 -0.004 0.000 0.310 1175 I C -2.133 173.955 176.117 -0.048 0.000 3.209 1175 I CA -0.154 61.139 61.300 -0.012 0.000 1.061 1175 I CB -0.740 37.265 38.000 0.007 0.000 2.593 1175 I HN 0.409 nan 8.210 nan 0.000 0.697 1176 P HA 0.130 nan 4.420 nan 0.000 0.282 1176 P C -1.093 176.193 177.300 -0.024 0.000 1.327 1176 P CA 0.498 63.582 63.100 -0.026 0.000 0.949 1176 P CB 0.494 32.179 31.700 -0.025 0.000 1.445 1177 K N -0.425 119.965 120.400 -0.016 0.000 6.451 1177 K HA -0.077 4.241 4.320 -0.004 0.000 0.695 1177 K C 0.732 177.335 176.600 0.006 0.000 1.739 1177 K CA 0.106 56.390 56.287 -0.004 0.000 1.661 1177 K CB -1.816 30.678 32.500 -0.010 0.000 1.886 1177 K HN 0.135 nan 8.250 nan 0.000 0.334 1178 A N 3.811 126.649 122.820 0.029 0.000 1.881 1178 A HA 0.405 4.723 4.320 -0.004 0.000 0.208 1178 A C 0.834 178.474 177.584 0.094 0.000 1.264 1178 A CA 1.597 53.672 52.037 0.065 0.000 0.629 1178 A CB -0.229 18.818 19.000 0.078 0.000 0.906 1178 A HN 1.271 nan 8.150 nan 0.000 0.476 1179 L N -4.546 116.765 121.223 0.146 0.000 5.275 1179 L HA 0.251 4.589 4.340 -0.004 0.000 0.240 1179 L C -0.799 176.267 176.870 0.326 0.000 1.109 1179 L CA -0.921 54.003 54.840 0.140 0.000 0.888 1179 L CB -0.150 41.907 42.059 -0.004 0.000 1.592 1179 L HN 0.451 nan 8.230 nan 0.000 0.343 1180 R N 1.749 122.372 120.500 0.204 0.000 2.774 1180 R HA 0.697 5.035 4.340 -0.004 0.000 0.269 1180 R C -1.353 175.176 176.300 0.382 0.000 1.068 1180 R CA 0.059 56.344 56.100 0.309 0.000 1.180 1180 R CB 0.554 30.936 30.300 0.137 0.000 1.077 1180 R HN 0.529 nan 8.270 nan 0.000 0.513 1181 F N 0.387 120.338 119.950 0.003 0.000 2.671 1181 F HA 0.222 4.747 4.527 -0.003 0.000 0.332 1181 F C -0.245 175.563 175.800 0.012 0.000 1.189 1181 F CA -0.848 57.154 58.000 0.003 0.000 0.988 1181 F CB 1.574 40.573 39.000 -0.002 0.000 1.258 1181 F HN 0.264 nan 8.300 nan 0.000 0.471 1182 D N 2.280 122.786 120.400 0.177 0.000 2.163 1182 D HA 0.384 5.022 4.640 -0.004 0.000 0.248 1182 D C -0.390 175.988 176.300 0.129 0.000 1.035 1182 D CA -0.555 53.529 54.000 0.141 0.000 0.872 1182 D CB 1.593 42.464 40.800 0.117 0.000 1.183 1182 D HN 0.434 nan 8.370 nan 0.000 0.445 1183 R N 2.044 122.612 120.500 0.114 0.000 2.247 1183 R HA 0.286 4.624 4.340 -0.004 0.000 0.329 1183 R C -0.501 175.854 176.300 0.092 0.000 1.014 1183 R CA -0.737 55.417 56.100 0.089 0.000 0.907 1183 R CB 0.735 31.070 30.300 0.058 0.000 1.146 1183 R HN 0.202 nan 8.270 nan 0.000 0.499 1184 L N 4.832 126.126 121.223 0.117 0.000 2.326 1184 L HA 0.181 4.519 4.340 -0.004 0.000 0.278 1184 L C 1.069 177.982 176.870 0.070 0.000 1.092 1184 L CA 0.143 55.063 54.840 0.134 0.000 0.810 1184 L CB 1.306 43.515 42.059 0.249 0.000 1.153 1184 L HN 0.519 nan 8.230 nan 0.000 0.439 1185 V N 2.762 122.692 119.914 0.027 0.000 2.232 1185 V HA -0.050 4.068 4.120 -0.004 0.000 0.237 1185 V C 1.271 177.378 176.094 0.021 0.000 1.035 1185 V CA 0.873 63.175 62.300 0.003 0.000 0.988 1185 V CB -1.791 30.015 31.823 -0.028 0.000 0.636 1185 V HN 0.966 nan 8.190 nan 0.000 0.456 1186 A N 1.367 124.194 122.820 0.011 0.000 2.535 1186 A HA 0.551 4.869 4.320 -0.004 0.000 0.290 1186 A C 0.503 178.134 177.584 0.077 0.000 1.270 1186 A CA 0.769 52.822 52.037 0.027 0.000 0.937 1186 A CB -1.396 17.602 19.000 -0.004 0.000 1.096 1186 A HN 1.066 nan 8.150 nan 0.000 0.534 1187 G N 1.139 109.988 108.800 0.082 0.000 2.911 1187 G HA2 0.536 4.493 3.960 -0.004 0.000 0.299 1187 G HA3 0.536 4.493 3.960 -0.004 0.000 0.299 1187 G C -0.329 174.625 174.900 0.090 0.000 1.283 1187 G CA 0.082 45.251 45.100 0.116 0.000 0.805 1187 G HN 1.337 nan 8.290 nan 0.000 0.548 1188 Q N -0.340 119.516 119.800 0.094 0.000 2.426 1188 Q HA -0.203 4.135 4.340 -0.004 0.000 0.359 1188 Q C -0.373 175.642 176.000 0.025 0.000 1.381 1188 Q CA 0.862 56.706 55.803 0.068 0.000 1.060 1188 Q CB -1.989 26.810 28.738 0.102 0.000 1.253 1188 Q HN 0.433 nan 8.270 nan 0.000 0.363 1189 I N 0.129 120.679 120.570 -0.034 0.000 5.604 1189 I HA 0.388 4.556 4.170 -0.004 0.000 0.236 1189 I C -1.405 174.624 176.117 -0.145 0.000 0.847 1189 I CA -0.424 60.817 61.300 -0.099 0.000 2.148 1189 I CB -1.189 36.718 38.000 -0.156 0.000 1.448 1189 I HN 0.310 nan 8.210 nan 0.000 0.484 1190 P HA 0.298 nan 4.420 nan 0.000 0.318 1190 P C -0.313 176.811 177.300 -0.293 0.000 1.315 1190 P CA 1.465 64.439 63.100 -0.209 0.000 0.821 1190 P CB 2.362 33.985 31.700 -0.129 0.000 2.031 1191 T N -5.249 109.103 114.554 -0.338 0.000 5.615 1191 T HA 0.226 4.574 4.350 -0.004 0.000 0.178 1191 T C 0.544 174.262 174.700 -1.636 0.000 1.695 1191 T CA 0.706 62.350 62.100 -0.760 0.000 1.283 1191 T CB -2.516 65.961 68.868 -0.651 0.000 2.617 1191 T HN 1.173 nan 8.240 nan 0.000 0.220 1192 G N -0.289 107.283 108.800 -2.047 0.000 2.255 1192 G HA2 0.384 4.342 3.960 -0.004 0.000 0.216 1192 G HA3 0.384 4.342 3.960 -0.004 0.000 0.216 1192 G C 0.205 174.181 174.900 -1.540 0.000 1.307 1192 G CA 0.704 44.791 45.100 -1.688 0.000 1.162 1192 G HN 2.092 nan 8.290 nan 0.000 0.494 1193 W N -0.714 120.503 121.300 -0.139 0.000 2.450 1193 W HA -0.288 4.369 4.660 -0.004 0.000 0.300 1193 W C 1.051 177.543 176.519 -0.044 0.000 1.567 1193 W CA 2.045 59.346 57.345 -0.075 0.000 1.558 1193 W CB -1.812 27.631 29.460 -0.028 0.000 0.906 1193 W HN 1.833 nan 8.180 nan 0.000 0.490 1194 N N 0.896 119.785 118.700 0.316 0.000 3.825 1194 N HA 0.406 5.143 4.740 -0.004 0.000 0.251 1194 N C -0.693 174.744 175.510 -0.122 0.000 1.135 1194 N CA 1.391 54.485 53.050 0.073 0.000 0.807 1194 N CB -1.367 37.096 38.487 -0.039 0.000 1.264 1194 N HN 1.306 nan 8.380 nan 0.000 0.574 1195 A N -0.121 122.640 122.820 -0.099 0.000 2.613 1195 A HA 0.656 4.974 4.320 -0.004 0.000 0.303 1195 A C -1.597 175.817 177.584 -0.284 0.000 0.915 1195 A CA -0.600 51.291 52.037 -0.244 0.000 0.654 1195 A CB 0.841 19.649 19.000 -0.319 0.000 1.280 1195 A HN 0.208 nan 8.150 nan 0.000 0.407 1196 K N 0.032 120.224 120.400 -0.347 0.000 2.584 1196 K HA 0.631 4.949 4.320 -0.004 0.000 0.260 1196 K C -1.118 175.251 176.600 -0.386 0.000 0.949 1196 K CA 0.684 56.719 56.287 -0.419 0.000 0.888 1196 K CB 1.794 34.106 32.500 -0.314 0.000 1.330 1196 K HN 2.082 nan 8.250 nan 0.000 0.432 1197 T N 3.158 117.436 114.554 -0.461 0.000 3.807 1197 T HA 0.065 4.413 4.350 -0.004 0.000 0.177 1197 T C -0.574 173.959 174.700 -0.277 0.000 0.519 1197 T CA -0.366 61.557 62.100 -0.295 0.000 0.886 1197 T CB -0.832 67.907 68.868 -0.214 0.000 1.382 1197 T HN 0.481 nan 8.240 nan 0.000 0.511 1198 Y N 2.414 122.649 120.300 -0.109 0.000 2.232 1198 Y HA 0.347 4.894 4.550 -0.003 0.000 0.256 1198 Y C 2.375 178.335 175.900 0.101 0.000 1.061 1198 Y CA 2.104 60.218 58.100 0.022 0.000 1.059 1198 Y CB -0.060 38.468 38.460 0.113 0.000 1.011 1198 Y HN 0.670 nan 8.280 nan 0.000 0.472 1199 G N -0.924 108.089 108.800 0.355 0.000 4.331 1199 G HA2 0.329 4.287 3.960 -0.004 0.000 0.299 1199 G HA3 0.329 4.287 3.960 -0.004 0.000 0.299 1199 G C -0.611 174.522 174.900 0.388 0.000 1.158 1199 G CA -0.122 45.165 45.100 0.313 0.000 0.916 1199 G HN 0.122 nan 8.290 nan 0.000 0.553 1200 I N 0.688 121.360 120.570 0.170 0.000 2.720 1200 I HA 0.392 4.560 4.170 -0.004 0.000 0.287 1200 I C 0.692 176.881 176.117 0.121 0.000 1.090 1200 I CA -0.278 61.048 61.300 0.043 0.000 1.384 1200 I CB 1.700 39.563 38.000 -0.229 0.000 1.420 1200 I HN 0.001 nan 8.210 nan 0.000 0.575 1201 S N 5.477 121.281 115.700 0.174 0.000 2.414 1201 S HA 0.040 4.507 4.470 -0.004 0.000 0.290 1201 S C -0.157 174.439 174.600 -0.006 0.000 1.160 1201 S CA -0.569 57.696 58.200 0.109 0.000 1.069 1201 S CB -0.592 62.699 63.200 0.153 0.000 1.012 1201 S HN 0.654 nan 8.310 nan 0.000 0.510 1202 D N 4.625 125.017 120.400 -0.014 0.000 2.426 1202 D HA 0.006 4.643 4.640 -0.004 0.000 0.261 1202 D C 0.910 177.177 176.300 -0.055 0.000 1.245 1202 D CA 1.439 55.409 54.000 -0.049 0.000 0.917 1202 D CB 0.300 41.078 40.800 -0.037 0.000 1.123 1202 D HN 0.901 nan 8.370 nan 0.000 0.508 1203 D N 2.835 123.182 120.400 -0.088 0.000 1.611 1203 D HA -0.222 4.416 4.640 -0.004 0.000 0.244 1203 D C 1.160 177.380 176.300 -0.133 0.000 0.894 1203 D CA -0.243 53.703 54.000 -0.091 0.000 1.202 1203 D CB -1.354 39.413 40.800 -0.056 0.000 1.451 1203 D HN 0.399 nan 8.370 nan 0.000 0.753 1204 I N 2.815 123.299 120.570 -0.143 0.000 2.530 1204 I HA -0.059 4.109 4.170 -0.004 0.000 0.257 1204 I C 1.848 177.788 176.117 -0.295 0.000 1.179 1204 I CA 1.112 62.269 61.300 -0.239 0.000 1.440 1204 I CB -1.045 36.832 38.000 -0.206 0.000 1.087 1204 I HN 0.461 nan 8.210 nan 0.000 0.440 1205 I N -1.765 118.668 120.570 -0.228 0.000 2.320 1205 I HA 0.304 4.472 4.170 -0.004 0.000 0.283 1205 I C 0.903 176.904 176.117 -0.195 0.000 1.086 1205 I CA 0.114 61.271 61.300 -0.238 0.000 1.539 1205 I CB 0.222 38.095 38.000 -0.211 0.000 1.504 1205 I HN 0.022 nan 8.210 nan 0.000 0.661 1206 S N 1.216 116.796 115.700 -0.200 0.000 1.687 1206 S HA -0.025 4.443 4.470 -0.004 0.000 0.152 1206 S C 0.390 174.900 174.600 -0.151 0.000 0.619 1206 S CA -0.153 57.957 58.200 -0.150 0.000 1.520 1206 S CB -0.058 63.074 63.200 -0.113 0.000 0.855 1206 S HN 0.547 nan 8.310 nan 0.000 0.296 1207 Q N 1.528 121.212 119.800 -0.194 0.000 2.180 1207 Q HA 0.513 4.851 4.340 -0.004 0.000 0.241 1207 Q C 1.664 177.450 176.000 -0.357 0.000 0.970 1207 Q CA 0.815 56.496 55.803 -0.204 0.000 0.919 1207 Q CB 1.600 30.223 28.738 -0.192 0.000 1.222 1207 Q HN 1.164 nan 8.270 nan 0.000 0.482 1208 V N -1.574 118.095 119.914 -0.410 0.000 0.484 1208 V HA -0.506 3.612 4.120 -0.004 0.000 0.092 1208 V C 0.902 176.819 176.094 -0.294 0.000 2.409 1208 V CA 3.044 65.051 62.300 -0.489 0.000 3.648 1208 V CB -1.388 29.841 31.823 -0.989 0.000 0.935 1208 V HN 0.942 nan 8.190 nan 0.000 0.977 1209 D N 0.464 120.675 120.400 -0.315 0.000 4.595 1209 D HA -0.260 4.378 4.640 -0.004 0.000 0.264 1209 D C -0.144 175.977 176.300 -0.298 0.000 0.517 1209 D CA 3.545 57.382 54.000 -0.271 0.000 1.451 1209 D CB -2.796 37.890 40.800 -0.190 0.000 0.886 1209 D HN 0.728 nan 8.370 nan 0.000 0.361 1210 P HA -0.154 nan 4.420 nan 0.000 0.219 1210 P C 1.924 178.995 177.300 -0.382 0.000 1.019 1210 P CA 2.456 65.436 63.100 -0.201 0.000 0.984 1210 P CB -0.452 31.194 31.700 -0.090 0.000 0.590 1211 I N -3.220 117.219 120.570 -0.219 0.000 2.406 1211 I HA -0.097 4.071 4.170 -0.004 0.000 0.249 1211 I C 1.953 177.799 176.117 -0.453 0.000 1.122 1211 I CA 1.900 63.066 61.300 -0.224 0.000 1.431 1211 I CB -2.190 35.937 38.000 0.211 0.000 1.087 1211 I HN 0.044 nan 8.210 nan 0.000 0.424 1212 T N 1.329 115.688 114.554 -0.324 0.000 2.950 1212 T HA -0.188 4.159 4.350 -0.004 0.000 0.264 1212 T C 1.743 176.188 174.700 -0.424 0.000 1.133 1212 T CA 1.279 63.194 62.100 -0.309 0.000 1.127 1212 T CB -0.548 68.147 68.868 -0.287 0.000 0.792 1212 T HN 0.315 nan 8.240 nan 0.000 0.570 1213 L N -0.462 120.389 121.223 -0.621 0.000 2.051 1213 L HA 0.151 4.489 4.340 -0.004 0.000 0.202 1213 L C 2.374 178.941 176.870 -0.505 0.000 1.097 1213 L CA 1.433 55.883 54.840 -0.650 0.000 0.762 1213 L CB -1.049 40.513 42.059 -0.828 0.000 0.913 1213 L HN 0.211 nan 8.230 nan 0.000 0.447 1214 F N 0.987 120.810 119.950 -0.211 0.000 2.037 1214 F HA -0.299 4.225 4.527 -0.004 0.000 0.296 1214 F C 2.650 178.360 175.800 -0.150 0.000 1.132 1214 F CA 1.827 59.735 58.000 -0.154 0.000 1.211 1214 F CB -2.005 36.916 39.000 -0.131 0.000 0.951 1214 F HN 0.084 nan 8.300 nan 0.000 0.503 1215 V N -0.688 119.223 119.914 -0.005 0.000 2.311 1215 V HA -0.353 3.764 4.120 -0.004 0.000 0.259 1215 V C 2.177 178.210 176.094 -0.103 0.000 1.086 1215 V CA 2.140 64.348 62.300 -0.154 0.000 1.078 1215 V CB -1.396 30.144 31.823 -0.471 0.000 0.668 1215 V HN 0.502 nan 8.190 nan 0.000 0.452 1216 L N -0.400 120.727 121.223 -0.160 0.000 1.961 1216 L HA -0.113 4.225 4.340 -0.004 0.000 0.209 1216 L C 2.737 179.529 176.870 -0.129 0.000 1.075 1216 L CA 2.116 56.857 54.840 -0.166 0.000 0.749 1216 L CB -0.783 41.045 42.059 -0.385 0.000 0.890 1216 L HN 0.292 nan 8.230 nan 0.000 0.433 1217 V N 0.295 120.113 119.914 -0.160 0.000 2.226 1217 V HA -0.408 3.709 4.120 -0.004 0.000 0.254 1217 V C 2.613 178.677 176.094 -0.050 0.000 1.065 1217 V CA 2.383 64.629 62.300 -0.090 0.000 1.039 1217 V CB -1.007 30.837 31.823 0.035 0.000 0.653 1217 V HN 0.505 nan 8.190 nan 0.000 0.450 1218 S N -0.316 115.387 115.700 0.005 0.000 2.380 1218 S HA -0.304 4.164 4.470 -0.004 0.000 0.229 1218 S C 1.965 176.555 174.600 -0.017 0.000 1.050 1218 S CA 1.954 60.174 58.200 0.033 0.000 1.100 1218 S CB -0.938 62.325 63.200 0.104 0.000 0.984 1218 S HN 0.480 nan 8.310 nan 0.000 0.434 1219 V N 2.005 121.882 119.914 -0.061 0.000 2.332 1219 V HA -0.164 3.953 4.120 -0.004 0.000 0.248 1219 V C 2.105 178.003 176.094 -0.327 0.000 1.055 1219 V CA 2.028 64.199 62.300 -0.215 0.000 1.038 1219 V CB -0.539 31.143 31.823 -0.235 0.000 0.651 1219 V HN 0.421 nan 8.190 nan 0.000 0.450 1220 V N -0.170 119.674 119.914 -0.117 0.000 2.270 1220 V HA -0.160 3.958 4.120 -0.004 0.000 0.245 1220 V C 2.688 178.824 176.094 0.070 0.000 1.043 1220 V CA 2.117 64.426 62.300 0.015 0.000 1.014 1220 V CB -0.954 30.987 31.823 0.197 0.000 0.645 1220 V HN 0.546 nan 8.190 nan 0.000 0.447 1221 E N 0.115 120.331 120.200 0.028 0.000 2.339 1221 E HA -0.233 4.114 4.350 -0.004 0.000 0.201 1221 E C 2.032 178.681 176.600 0.080 0.000 1.015 1221 E CA 1.420 57.847 56.400 0.046 0.000 0.841 1221 E CB -0.131 29.551 29.700 -0.030 0.000 0.754 1221 E HN 0.603 nan 8.360 nan 0.000 0.508 1222 A N -0.393 122.469 122.820 0.071 0.000 1.862 1222 A HA 0.047 4.365 4.320 -0.004 0.000 0.211 1222 A C 2.090 179.892 177.584 0.363 0.000 1.220 1222 A CA 0.340 52.476 52.037 0.165 0.000 0.616 1222 A CB -0.904 18.166 19.000 0.116 0.000 0.878 1222 A HN 0.281 nan 8.150 nan 0.000 0.453 1223 F N -0.641 119.398 119.950 0.148 0.000 2.307 1223 F HA -0.150 4.375 4.527 -0.003 0.000 0.301 1223 F C 1.910 177.810 175.800 0.167 0.000 1.076 1223 F CA 0.844 58.924 58.000 0.133 0.000 1.383 1223 F CB 0.008 39.068 39.000 0.101 0.000 1.055 1223 F HN 0.280 nan 8.300 nan 0.000 0.526 1224 I N -0.249 120.563 120.570 0.402 0.000 3.735 1224 I HA 0.086 4.254 4.170 -0.004 0.000 0.310 1224 I C 1.541 177.835 176.117 0.296 0.000 1.270 1224 I CA 0.375 61.904 61.300 0.382 0.000 1.207 1224 I CB -0.362 37.905 38.000 0.445 0.000 1.013 1224 I HN -0.023 nan 8.210 nan 0.000 0.452 1225 A N -0.408 122.590 122.820 0.298 0.000 1.938 1225 A HA 0.065 4.383 4.320 -0.004 0.000 0.207 1225 A C 2.008 179.837 177.584 0.409 0.000 1.292 1225 A CA 0.735 52.960 52.037 0.312 0.000 0.700 1225 A CB -0.711 18.464 19.000 0.291 0.000 0.947 1225 A HN 0.417 nan 8.150 nan 0.000 0.476 1226 S N 0.788 116.720 115.700 0.388 0.000 2.803 1226 S HA 0.339 4.806 4.470 -0.004 0.000 0.228 1226 S C 1.065 175.768 174.600 0.171 0.000 0.953 1226 S CA 0.609 58.983 58.200 0.289 0.000 0.983 1226 S CB -1.566 61.778 63.200 0.241 0.000 0.784 1226 S HN 1.701 nan 8.310 nan 0.000 0.498 1227 G N 2.598 111.522 108.800 0.206 0.000 2.130 1227 G HA2 -0.200 3.758 3.960 -0.004 0.000 0.234 1227 G HA3 -0.200 3.758 3.960 -0.004 0.000 0.234 1227 G C 0.036 174.986 174.900 0.082 0.000 0.562 1227 G CA 0.824 46.022 45.100 0.164 0.000 1.039 1227 G HN 1.476 nan 8.290 nan 0.000 0.378 1228 I N -0.188 120.424 120.570 0.070 0.000 2.926 1228 I HA 0.409 4.577 4.170 -0.004 0.000 0.295 1228 I C 0.332 176.405 176.117 -0.073 0.000 1.463 1228 I CA -0.640 60.627 61.300 -0.055 0.000 0.892 1228 I CB 1.046 38.934 38.000 -0.185 0.000 1.874 1228 I HN 0.181 nan 8.210 nan 0.000 0.620 1229 T N 2.770 117.229 114.554 -0.159 0.000 2.800 1229 T HA -0.014 4.334 4.350 -0.004 0.000 0.283 1229 T C 0.333 174.872 174.700 -0.269 0.000 0.999 1229 T CA 1.692 63.514 62.100 -0.464 0.000 1.176 1229 T CB -0.485 67.838 68.868 -0.910 0.000 0.973 1229 T HN 0.983 nan 8.240 nan 0.000 0.519 1230 D N 4.964 125.277 120.400 -0.145 0.000 3.975 1230 D HA -0.090 4.548 4.640 -0.004 0.000 0.251 1230 D C -1.333 174.997 176.300 0.050 0.000 1.046 1230 D CA 0.244 54.259 54.000 0.025 0.000 1.135 1230 D CB 0.011 40.832 40.800 0.035 0.000 0.911 1230 D HN 0.410 nan 8.370 nan 0.000 0.415 1231 P HA -0.257 nan 4.420 nan 0.000 0.220 1231 P C 1.120 178.371 177.300 -0.082 0.000 1.142 1231 P CA 1.277 64.327 63.100 -0.083 0.000 0.801 1231 P CB -0.137 31.671 31.700 0.179 0.000 0.764 1232 Y N 0.741 121.092 120.300 0.084 0.000 2.274 1232 Y HA -0.116 4.432 4.550 -0.004 0.000 0.290 1232 Y C 2.359 178.320 175.900 0.101 0.000 1.145 1232 Y CA 1.089 59.330 58.100 0.234 0.000 1.203 1232 Y CB -1.028 37.517 38.460 0.141 0.000 0.984 1232 Y HN 0.065 nan 8.280 nan 0.000 0.533 1233 E N 0.079 120.319 120.200 0.066 0.000 2.499 1233 E HA -0.175 4.173 4.350 -0.004 0.000 0.207 1233 E C 1.336 177.749 176.600 -0.312 0.000 1.175 1233 E CA 0.202 56.547 56.400 -0.092 0.000 0.932 1233 E CB -0.355 29.255 29.700 -0.150 0.000 0.906 1233 E HN 0.549 nan 8.360 nan 0.000 0.556 1234 M N -1.228 118.149 119.600 -0.371 0.000 2.545 1234 M HA 0.008 4.486 4.480 -0.004 0.000 0.264 1234 M C 0.774 176.849 176.300 -0.375 0.000 1.155 1234 M CA 0.295 55.254 55.300 -0.567 0.000 1.162 1234 M CB 0.303 32.427 32.600 -0.794 0.000 1.330 1234 M HN 0.209 nan 8.290 nan 0.000 0.479 1235 Y N 0.903 121.235 120.300 0.053 0.000 2.571 1235 Y HA -0.075 4.473 4.550 -0.004 0.000 0.294 1235 Y C 1.821 177.746 175.900 0.042 0.000 1.141 1235 Y CA 0.685 58.828 58.100 0.072 0.000 1.308 1235 Y CB -0.650 37.820 38.460 0.016 0.000 1.002 1235 Y HN 0.212 nan 8.280 nan 0.000 0.551 1236 K N -1.099 119.369 120.400 0.113 0.000 2.708 1236 K HA 0.051 4.369 4.320 -0.004 0.000 0.219 1236 K C -0.876 175.913 176.600 0.315 0.000 1.068 1236 K CA 0.211 56.579 56.287 0.136 0.000 1.212 1236 K CB -0.272 32.292 32.500 0.107 0.000 0.978 1236 K HN 0.135 nan 8.250 nan 0.000 0.475 1237 Y N 0.586 120.815 120.300 -0.118 0.000 2.750 1237 Y HA 0.097 4.644 4.550 -0.003 0.000 0.247 1237 Y C -0.656 174.831 175.900 -0.689 0.000 1.098 1237 Y CA -1.438 56.537 58.100 -0.208 0.000 1.120 1237 Y CB 0.757 39.238 38.460 0.035 0.000 1.210 1237 Y HN 0.178 nan 8.280 nan 0.000 0.601 1238 V N -0.157 119.549 119.914 -0.346 0.000 5.842 1238 V HA -0.256 3.862 4.120 -0.004 0.000 0.251 1238 V C -1.494 174.183 176.094 -0.695 0.000 0.667 1238 V CA 1.021 63.081 62.300 -0.400 0.000 0.844 1238 V CB -1.933 29.725 31.823 -0.275 0.000 0.924 1238 V HN 0.554 nan 8.190 nan 0.000 0.443 1239 H N 2.709 121.805 119.070 0.043 0.000 3.172 1239 H HA 0.420 4.973 4.556 -0.004 0.000 0.322 1239 H C 0.317 175.713 175.328 0.114 0.000 1.003 1239 H CA -0.218 55.852 56.048 0.038 0.000 1.466 1239 H CB 1.938 31.662 29.762 -0.064 0.000 1.673 1239 H HN 0.560 nan 8.280 nan 0.000 0.512 1240 V N 3.286 123.304 119.914 0.174 0.000 3.431 1240 V HA -0.120 3.998 4.120 -0.004 0.000 0.303 1240 V C 0.473 176.670 176.094 0.171 0.000 1.179 1240 V CA 1.466 63.839 62.300 0.122 0.000 1.284 1240 V CB -1.515 30.359 31.823 0.086 0.000 1.036 1240 V HN 0.956 nan 8.190 nan 0.000 0.425 1241 S N -0.285 115.589 115.700 0.290 0.000 2.749 1241 S HA -0.334 4.134 4.470 -0.004 0.000 0.265 1241 S C 1.009 175.729 174.600 0.201 0.000 1.307 1241 S CA 1.664 60.065 58.200 0.335 0.000 1.452 1241 S CB -1.223 62.131 63.200 0.257 0.000 1.834 1241 S HN 0.923 nan 8.310 nan 0.000 0.691 1242 E N 1.245 121.546 120.200 0.168 0.000 2.888 1242 E HA 0.218 4.565 4.350 -0.004 0.000 0.271 1242 E C -0.429 176.224 176.600 0.088 0.000 1.527 1242 E CA 0.411 56.887 56.400 0.127 0.000 1.700 1242 E CB -0.359 29.410 29.700 0.114 0.000 1.410 1242 E HN 0.501 nan 8.360 nan 0.000 0.445 1243 V N -1.643 118.310 119.914 0.065 0.000 3.063 1243 V HA 0.578 4.696 4.120 -0.004 0.000 0.249 1243 V C 0.112 176.171 176.094 -0.059 0.000 0.908 1243 V CA -0.337 61.954 62.300 -0.015 0.000 0.966 1243 V CB 0.580 32.357 31.823 -0.075 0.000 1.015 1243 V HN 0.224 nan 8.190 nan 0.000 0.512 1244 G N 1.953 110.752 108.800 -0.003 0.000 3.431 1244 G HA2 0.187 4.145 3.960 -0.004 0.000 0.152 1244 G HA3 0.187 4.145 3.960 -0.004 0.000 0.152 1244 G C -0.191 174.743 174.900 0.056 0.000 1.206 1244 G CA -0.178 44.929 45.100 0.011 0.000 1.462 1244 G HN 0.572 nan 8.290 nan 0.000 0.729 1245 N N 1.849 120.600 118.700 0.085 0.000 1.722 1245 N HA -0.128 4.610 4.740 -0.004 0.000 0.342 1245 N C 1.704 177.269 175.510 0.091 0.000 1.252 1245 N CA 0.929 54.037 53.050 0.097 0.000 0.780 1245 N CB 0.031 38.573 38.487 0.091 0.000 0.999 1245 N HN 0.828 nan 8.380 nan 0.000 0.513 1246 C N 2.515 121.882 119.300 0.111 0.000 2.876 1246 C HA 0.025 4.483 4.460 -0.004 0.000 0.206 1246 C C 1.336 176.382 174.990 0.093 0.000 2.013 1246 C CA -0.009 59.076 59.018 0.111 0.000 1.499 1246 C CB -0.728 27.098 27.740 0.143 0.000 1.821 1246 C HN 0.706 nan 8.230 nan 0.000 0.551 1247 S N -0.861 114.897 115.700 0.097 0.000 2.795 1247 S HA 0.343 4.811 4.470 -0.004 0.000 0.230 1247 S C 0.371 175.005 174.600 0.057 0.000 0.749 1247 S CA 0.111 58.355 58.200 0.073 0.000 1.066 1247 S CB -0.506 62.723 63.200 0.048 0.000 1.466 1247 S HN 1.381 nan 8.310 nan 0.000 0.502 1248 G N 2.293 111.159 108.800 0.109 0.000 2.785 1248 G HA2 0.473 4.431 3.960 -0.004 0.000 0.256 1248 G HA3 0.473 4.431 3.960 -0.004 0.000 0.256 1248 G C 0.365 175.191 174.900 -0.123 0.000 1.248 1248 G CA 0.815 45.894 45.100 -0.035 0.000 0.914 1248 G HN 1.067 nan 8.290 nan 0.000 0.580 1249 S N -2.132 113.260 115.700 -0.513 0.000 3.483 1249 S HA 0.709 5.177 4.470 -0.004 0.000 0.296 1249 S C 0.278 174.782 174.600 -0.160 0.000 1.197 1249 S CA 0.507 58.607 58.200 -0.166 0.000 1.357 1249 S CB 0.378 63.545 63.200 -0.055 0.000 1.590 1249 S HN 2.751 nan 8.310 nan 0.000 0.444 1250 G N 1.082 109.866 108.800 -0.026 0.000 2.352 1250 G HA2 0.159 4.117 3.960 -0.004 0.000 0.324 1250 G HA3 0.159 4.117 3.960 -0.004 0.000 0.324 1250 G C 0.307 175.267 174.900 0.100 0.000 1.249 1250 G CA 0.292 45.416 45.100 0.041 0.000 1.053 1250 G HN 1.669 nan 8.290 nan 0.000 0.492 1251 M N 0.738 120.414 119.600 0.127 0.000 2.414 1251 M HA 0.365 4.842 4.480 -0.004 0.000 0.251 1251 M C 1.524 177.889 176.300 0.109 0.000 1.116 1251 M CA 1.462 56.837 55.300 0.124 0.000 1.056 1251 M CB -0.282 32.410 32.600 0.154 0.000 1.388 1251 M HN 1.349 nan 8.290 nan 0.000 0.487 1252 G N 0.677 109.555 108.800 0.131 0.000 2.492 1252 G HA2 0.276 4.234 3.960 -0.004 0.000 0.353 1252 G HA3 0.276 4.234 3.960 -0.004 0.000 0.353 1252 G C 0.743 175.699 174.900 0.093 0.000 1.297 1252 G CA 0.567 45.742 45.100 0.126 0.000 1.192 1252 G HN 0.795 nan 8.290 nan 0.000 0.677 1253 G N -2.080 106.769 108.800 0.081 0.000 3.626 1253 G HA2 -0.087 3.870 3.960 -0.004 0.000 0.241 1253 G HA3 -0.087 3.870 3.960 -0.004 0.000 0.241 1253 G C 1.298 176.187 174.900 -0.019 0.000 1.824 1253 G CA 1.166 46.289 45.100 0.038 0.000 1.511 1253 G HN 2.107 nan 8.290 nan 0.000 0.600 1254 V N 0.957 120.834 119.914 -0.061 0.000 2.309 1254 V HA -0.236 3.882 4.120 -0.004 0.000 0.160 1254 V C 2.320 178.353 176.094 -0.100 0.000 0.786 1254 V CA 4.755 66.986 62.300 -0.114 0.000 0.940 1254 V CB -0.963 30.791 31.823 -0.116 0.000 0.696 1254 V HN 2.867 nan 8.190 nan 0.000 0.537 1255 S N -2.517 113.120 115.700 -0.104 0.000 2.852 1255 S HA -0.356 4.112 4.470 -0.004 0.000 0.286 1255 S C 0.839 175.376 174.600 -0.105 0.000 1.324 1255 S CA 2.658 60.800 58.200 -0.096 0.000 1.274 1255 S CB -1.365 61.797 63.200 -0.062 0.000 1.561 1255 S HN 2.499 nan 8.310 nan 0.000 0.735 1256 A N -1.402 121.350 122.820 -0.114 0.000 2.442 1256 A HA 0.406 4.724 4.320 -0.004 0.000 0.158 1256 A C 1.138 178.646 177.584 -0.126 0.000 1.759 1256 A CA 0.626 52.601 52.037 -0.104 0.000 1.304 1256 A CB -0.602 18.347 19.000 -0.085 0.000 1.570 1256 A HN 0.659 nan 8.150 nan 0.000 0.440 1257 L N 0.738 121.862 121.223 -0.164 0.000 2.127 1257 L HA -0.155 4.183 4.340 -0.004 0.000 0.211 1257 L C 2.442 179.110 176.870 -0.337 0.000 1.089 1257 L CA 2.408 57.101 54.840 -0.245 0.000 0.757 1257 L CB -0.335 41.560 42.059 -0.273 0.000 0.899 1257 L HN 0.613 nan 8.230 nan 0.000 0.434 1258 R N 0.088 120.423 120.500 -0.275 0.000 2.103 1258 R HA -0.194 4.144 4.340 -0.004 0.000 0.242 1258 R C 2.150 178.362 176.300 -0.146 0.000 1.142 1258 R CA 1.835 57.784 56.100 -0.252 0.000 0.960 1258 R CB -0.888 29.309 30.300 -0.172 0.000 0.858 1258 R HN 0.481 nan 8.270 nan 0.000 0.439 1259 G N 0.898 109.639 108.800 -0.099 0.000 2.469 1259 G HA2 -0.305 3.653 3.960 -0.004 0.000 0.220 1259 G HA3 -0.305 3.653 3.960 -0.004 0.000 0.220 1259 G C 1.502 176.424 174.900 0.036 0.000 1.136 1259 G CA 1.002 46.085 45.100 -0.029 0.000 0.759 1259 G HN 0.280 nan 8.290 nan 0.000 0.562 1260 M N -0.685 118.927 119.600 0.021 0.000 2.106 1260 M HA -0.039 4.439 4.480 -0.004 0.000 0.259 1260 M C 2.224 178.844 176.300 0.533 0.000 1.068 1260 M CA 1.603 57.034 55.300 0.220 0.000 1.100 1260 M CB -0.369 32.345 32.600 0.190 0.000 1.351 1260 M HN 0.451 nan 8.290 nan 0.000 0.404 1261 F N -1.280 118.653 119.950 -0.029 0.000 2.485 1261 F HA 0.039 4.564 4.527 -0.004 0.000 0.274 1261 F C 2.062 177.888 175.800 0.043 0.000 0.963 1261 F CA -0.240 57.745 58.000 -0.025 0.000 1.169 1261 F CB -0.367 38.596 39.000 -0.062 0.000 1.145 1261 F HN -0.181 nan 8.300 nan 0.000 0.682 1262 K N 0.341 120.881 120.400 0.233 0.000 2.555 1262 K HA -0.050 4.268 4.320 -0.004 0.000 0.193 1262 K C -0.970 175.688 176.600 0.096 0.000 1.032 1262 K CA 0.694 57.075 56.287 0.158 0.000 1.004 1262 K CB -0.290 32.243 32.500 0.055 0.000 0.804 1262 K HN 0.249 nan 8.250 nan 0.000 0.496 1263 D N 0.632 121.086 120.400 0.089 0.000 2.412 1263 D HA 0.280 4.918 4.640 -0.004 0.000 0.276 1263 D C -0.724 175.616 176.300 0.067 0.000 1.196 1263 D CA -0.307 53.719 54.000 0.042 0.000 0.905 1263 D CB 0.778 41.581 40.800 0.006 0.000 1.081 1263 D HN -0.010 nan 8.370 nan 0.000 0.502 1264 R N 1.171 121.717 120.500 0.077 0.000 3.942 1264 R HA -0.015 4.322 4.340 -0.004 0.000 0.239 1264 R C -1.121 175.274 176.300 0.158 0.000 0.867 1264 R CA -0.760 55.391 56.100 0.085 0.000 0.758 1264 R CB -0.533 29.827 30.300 0.101 0.000 1.417 1264 R HN 0.168 nan 8.270 nan 0.000 0.487 1265 F N 0.759 120.698 119.950 -0.018 0.000 3.105 1265 F HA -0.293 4.232 4.527 -0.003 0.000 0.280 1265 F C 0.254 176.042 175.800 -0.020 0.000 0.894 1265 F CA 2.509 60.493 58.000 -0.025 0.000 0.992 1265 F CB -0.637 38.347 39.000 -0.026 0.000 1.047 1265 F HN 0.581 nan 8.300 nan 0.000 0.607 1266 K N -0.030 120.279 120.400 -0.152 0.000 2.434 1266 K HA 0.030 4.348 4.320 -0.004 0.000 0.170 1266 K C 0.284 176.834 176.600 -0.083 0.000 1.738 1266 K CA 0.406 56.588 56.287 -0.175 0.000 1.027 1266 K CB -0.161 32.275 32.500 -0.108 0.000 1.595 1266 K HN 0.117 nan 8.250 nan 0.000 0.546 1267 D N 2.388 122.761 120.400 -0.045 0.000 2.813 1267 D HA -0.208 4.430 4.640 -0.004 0.000 0.218 1267 D C -0.147 176.144 176.300 -0.015 0.000 1.240 1267 D CA 1.325 55.315 54.000 -0.017 0.000 0.644 1267 D CB -0.329 40.460 40.800 -0.017 0.000 0.966 1267 D HN 0.446 nan 8.370 nan 0.000 0.398 1268 E N 0.169 120.361 120.200 -0.013 0.000 4.034 1268 E HA 0.494 4.842 4.350 -0.004 0.000 0.297 1268 E C -1.948 174.648 176.600 -0.007 0.000 1.372 1268 E CA -1.044 55.346 56.400 -0.016 0.000 1.555 1268 E CB 0.323 30.010 29.700 -0.022 0.000 1.488 1268 E HN 0.265 nan 8.360 nan 0.000 0.782 1269 P HA 0.320 nan 4.420 nan 0.000 0.307 1269 P C -1.411 175.884 177.300 -0.009 0.000 1.450 1269 P CA -0.372 62.724 63.100 -0.007 0.000 1.026 1269 P CB 1.283 32.977 31.700 -0.011 0.000 1.040 1270 V N 3.926 123.839 119.914 -0.001 0.000 2.668 1270 V HA 0.173 4.291 4.120 -0.004 0.000 0.304 1270 V C 0.345 176.442 176.094 0.005 0.000 1.071 1270 V CA -0.845 61.454 62.300 -0.002 0.000 0.894 1270 V CB 2.087 33.911 31.823 0.002 0.000 1.008 1270 V HN 0.611 nan 8.190 nan 0.000 0.425 1271 Q N 3.207 123.008 119.800 0.002 0.000 2.520 1271 Q HA -0.132 4.206 4.340 -0.004 0.000 0.320 1271 Q C 0.883 176.898 176.000 0.025 0.000 1.104 1271 Q CA 0.768 56.578 55.803 0.012 0.000 1.062 1271 Q CB -0.302 28.442 28.738 0.010 0.000 1.005 1271 Q HN 0.834 nan 8.270 nan 0.000 0.390 1272 N N 3.138 121.854 118.700 0.027 0.000 2.106 1272 N HA -0.331 4.407 4.740 -0.004 0.000 0.200 1272 N C -0.053 175.485 175.510 0.047 0.000 1.014 1272 N CA 2.103 55.173 53.050 0.034 0.000 0.891 1272 N CB -0.440 38.066 38.487 0.032 0.000 1.069 1272 N HN 0.887 nan 8.380 nan 0.000 0.490 1273 D N -0.506 119.929 120.400 0.057 0.000 2.339 1273 D HA 0.199 4.837 4.640 -0.004 0.000 0.256 1273 D C 0.499 176.850 176.300 0.084 0.000 1.214 1273 D CA -0.285 53.765 54.000 0.082 0.000 0.877 1273 D CB 0.643 41.501 40.800 0.095 0.000 1.111 1273 D HN 0.301 nan 8.370 nan 0.000 0.478 1274 I N 3.051 123.672 120.570 0.085 0.000 5.154 1274 I HA -0.093 4.075 4.170 -0.004 0.000 0.321 1274 I C 1.137 177.280 176.117 0.043 0.000 1.120 1274 I CA -0.160 61.177 61.300 0.062 0.000 1.524 1274 I CB -0.499 37.517 38.000 0.027 0.000 1.880 1274 I HN 0.516 nan 8.210 nan 0.000 0.588 1275 L N 2.277 123.519 121.223 0.033 0.000 2.351 1275 L HA -0.233 4.105 4.340 -0.004 0.000 0.220 1275 L C 1.927 178.757 176.870 -0.067 0.000 1.127 1275 L CA 2.019 56.832 54.840 -0.044 0.000 0.786 1275 L CB -0.738 41.325 42.059 0.007 0.000 0.914 1275 L HN 0.529 nan 8.230 nan 0.000 0.443 1276 Q N 0.329 120.226 119.800 0.161 0.000 1.956 1276 Q HA -0.279 4.059 4.340 -0.004 0.000 0.208 1276 Q C 1.526 177.727 176.000 0.335 0.000 0.998 1276 Q CA 2.532 58.554 55.803 0.364 0.000 0.855 1276 Q CB -0.029 28.883 28.738 0.289 0.000 0.928 1276 Q HN 0.406 nan 8.270 nan 0.000 0.418 1277 E N 0.076 120.410 120.200 0.223 0.000 2.533 1277 E HA -0.090 4.257 4.350 -0.004 0.000 0.203 1277 E C 1.452 178.073 176.600 0.036 0.000 1.101 1277 E CA 0.474 56.986 56.400 0.188 0.000 0.894 1277 E CB -0.180 29.588 29.700 0.113 0.000 0.843 1277 E HN 0.259 nan 8.360 nan 0.000 0.552 1278 S N -0.053 115.556 115.700 -0.150 0.000 2.344 1278 S HA -0.136 4.332 4.470 -0.004 0.000 0.217 1278 S C 0.372 174.874 174.600 -0.163 0.000 1.033 1278 S CA 0.260 58.284 58.200 -0.293 0.000 1.017 1278 S CB -0.276 62.557 63.200 -0.611 0.000 0.941 1278 S HN 0.235 nan 8.310 nan 0.000 0.430 1279 F N 3.203 123.192 119.950 0.065 0.000 2.433 1279 F HA -0.011 4.514 4.527 -0.003 0.000 0.398 1279 F C 1.335 177.192 175.800 0.095 0.000 1.002 1279 F CA -0.466 57.576 58.000 0.070 0.000 1.053 1279 F CB -0.790 38.241 39.000 0.052 0.000 0.928 1279 F HN 0.154 nan 8.300 nan 0.000 0.529 1280 I N 1.689 122.421 120.570 0.270 0.000 2.091 1280 I HA -0.398 3.769 4.170 -0.004 0.000 0.240 1280 I C 2.026 178.303 176.117 0.266 0.000 1.046 1280 I CA 2.033 63.483 61.300 0.249 0.000 1.306 1280 I CB -1.605 36.518 38.000 0.204 0.000 1.018 1280 I HN 0.640 nan 8.210 nan 0.000 0.404 1281 N N -0.283 118.552 118.700 0.224 0.000 2.635 1281 N HA -0.136 4.601 4.740 -0.004 0.000 0.191 1281 N C 1.277 176.868 175.510 0.135 0.000 1.155 1281 N CA 1.312 54.459 53.050 0.162 0.000 0.927 1281 N CB -0.829 37.712 38.487 0.089 0.000 0.976 1281 N HN 0.439 nan 8.380 nan 0.000 0.448 1282 T N -0.188 114.484 114.554 0.197 0.000 2.985 1282 T HA 0.068 4.416 4.350 -0.004 0.000 0.266 1282 T C 1.407 176.244 174.700 0.228 0.000 1.076 1282 T CA 0.554 62.763 62.100 0.181 0.000 1.135 1282 T CB -0.091 68.966 68.868 0.315 0.000 0.890 1282 T HN 0.132 nan 8.240 nan 0.000 0.480 1283 M N 1.394 121.109 119.600 0.192 0.000 2.091 1283 M HA -0.035 4.443 4.480 -0.004 0.000 0.259 1283 M C 2.589 178.954 176.300 0.110 0.000 1.076 1283 M CA 1.494 56.839 55.300 0.073 0.000 1.111 1283 M CB -1.273 31.212 32.600 -0.191 0.000 1.291 1283 M HN 0.063 nan 8.290 nan 0.000 0.417 1284 S N 0.576 116.365 115.700 0.149 0.000 2.381 1284 S HA -0.265 4.203 4.470 -0.004 0.000 0.230 1284 S C 2.063 176.724 174.600 0.101 0.000 1.052 1284 S CA 1.671 59.959 58.200 0.147 0.000 1.068 1284 S CB -0.989 62.312 63.200 0.168 0.000 0.918 1284 S HN 0.601 nan 8.310 nan 0.000 0.448 1285 A N 1.250 124.107 122.820 0.062 0.000 1.903 1285 A HA -0.202 4.116 4.320 -0.004 0.000 0.219 1285 A C 1.953 179.503 177.584 -0.057 0.000 1.191 1285 A CA 1.676 53.688 52.037 -0.042 0.000 0.638 1285 A CB -0.943 17.970 19.000 -0.146 0.000 0.823 1285 A HN 0.689 nan 8.150 nan 0.000 0.451 1286 W N 0.016 121.330 121.300 0.022 0.000 2.407 1286 W HA -0.080 4.578 4.660 -0.004 0.000 0.305 1286 W C 2.269 178.810 176.519 0.037 0.000 1.196 1286 W CA 1.332 58.692 57.345 0.024 0.000 1.311 1286 W CB -0.863 28.599 29.460 0.002 0.000 1.135 1286 W HN 0.195 nan 8.180 nan 0.000 0.514 1287 V N 0.964 121.025 119.914 0.246 0.000 2.495 1287 V HA -0.386 3.732 4.120 -0.004 0.000 0.260 1287 V C 2.069 178.249 176.094 0.142 0.000 1.097 1287 V CA 2.214 64.609 62.300 0.159 0.000 1.105 1287 V CB -0.955 30.926 31.823 0.097 0.000 0.678 1287 V HN 0.318 nan 8.190 nan 0.000 0.469 1288 N N -0.023 118.752 118.700 0.125 0.000 2.244 1288 N HA -0.060 4.678 4.740 -0.004 0.000 0.189 1288 N C 1.944 177.515 175.510 0.102 0.000 1.047 1288 N CA 1.309 54.419 53.050 0.100 0.000 0.870 1288 N CB -0.024 38.506 38.487 0.072 0.000 1.041 1288 N HN 0.460 nan 8.380 nan 0.000 0.448 1289 M N 0.554 120.202 119.600 0.080 0.000 2.514 1289 M HA -0.078 4.399 4.480 -0.004 0.000 0.259 1289 M C -0.423 175.973 176.300 0.161 0.000 1.073 1289 M CA 1.041 56.397 55.300 0.093 0.000 1.049 1289 M CB -0.516 32.098 32.600 0.022 0.000 1.392 1289 M HN -0.001 nan 8.290 nan 0.000 0.466 1290 L N 1.235 122.576 121.223 0.197 0.000 2.385 1290 L HA 0.600 4.938 4.340 -0.004 0.000 0.273 1290 L C -0.166 176.773 176.870 0.115 0.000 0.990 1290 L CA -0.641 54.307 54.840 0.181 0.000 0.821 1290 L CB 1.465 43.709 42.059 0.308 0.000 1.279 1290 L HN 0.131 nan 8.230 nan 0.000 0.412 1291 L N 1.775 123.014 121.223 0.026 0.000 7.836 1291 L HA -0.260 4.078 4.340 -0.004 0.000 0.064 1291 L C 0.622 177.455 176.870 -0.061 0.000 1.275 1291 L CA 0.938 55.772 54.840 -0.010 0.000 1.424 1291 L CB -1.303 40.797 42.059 0.069 0.000 2.916 1291 L HN 0.786 nan 8.230 nan 0.000 1.197 1292 I N 0.881 121.470 120.570 0.031 0.000 3.392 1292 I HA -0.197 3.971 4.170 -0.004 0.000 0.280 1292 I C 1.338 177.474 176.117 0.031 0.000 1.113 1292 I CA 1.377 62.718 61.300 0.069 0.000 2.054 1292 I CB 0.140 38.327 38.000 0.312 0.000 1.141 1292 I HN 0.665 nan 8.210 nan 0.000 0.410 1293 S N 4.598 120.260 115.700 -0.063 0.000 2.701 1293 S HA -0.000 4.468 4.470 -0.004 0.000 0.220 1293 S C 0.922 175.608 174.600 0.144 0.000 0.954 1293 S CA 0.213 58.438 58.200 0.042 0.000 0.936 1293 S CB -0.324 62.896 63.200 0.033 0.000 0.777 1293 S HN 0.853 nan 8.310 nan 0.000 0.518 1294 S N 1.705 117.534 115.700 0.214 0.000 3.361 1294 S HA -0.025 4.443 4.470 -0.004 0.000 0.396 1294 S C 0.813 175.532 174.600 0.198 0.000 1.165 1294 S CA 0.007 58.358 58.200 0.251 0.000 1.192 1294 S CB -0.178 63.123 63.200 0.169 0.000 0.843 1294 S HN 0.511 nan 8.310 nan 0.000 0.528 1295 S N 4.483 120.322 115.700 0.232 0.000 2.906 1295 S HA 0.174 4.642 4.470 -0.004 0.000 0.234 1295 S C 1.299 176.012 174.600 0.189 0.000 0.973 1295 S CA -0.065 58.285 58.200 0.251 0.000 1.036 1295 S CB -0.340 63.100 63.200 0.400 0.000 0.798 1295 S HN 0.847 nan 8.310 nan 0.000 0.498 1296 G N 2.997 111.886 108.800 0.148 0.000 2.447 1296 G HA2 0.312 4.269 3.960 -0.004 0.000 0.269 1296 G HA3 0.312 4.269 3.960 -0.004 0.000 0.269 1296 G C -2.473 172.475 174.900 0.081 0.000 1.455 1296 G CA -0.631 44.532 45.100 0.105 0.000 1.061 1296 G HN 0.300 nan 8.290 nan 0.000 0.545 1297 P HA 0.584 nan 4.420 nan 0.000 0.292 1297 P C -1.281 176.048 177.300 0.047 0.000 1.308 1297 P CA -0.560 62.568 63.100 0.046 0.000 0.933 1297 P CB 2.664 34.387 31.700 0.038 0.000 1.217 1298 I N 1.393 121.987 120.570 0.039 0.000 2.619 1298 I HA 0.327 4.495 4.170 -0.004 0.000 0.292 1298 I C 0.197 176.337 176.117 0.038 0.000 1.100 1298 I CA -0.834 60.493 61.300 0.045 0.000 1.043 1298 I CB 2.268 40.295 38.000 0.046 0.000 1.239 1298 I HN 0.161 nan 8.210 nan 0.000 0.420 1299 K N 2.851 123.278 120.400 0.045 0.000 2.323 1299 K HA 0.382 4.700 4.320 -0.004 0.000 0.232 1299 K C -0.379 176.250 176.600 0.047 0.000 1.068 1299 K CA 0.617 56.927 56.287 0.039 0.000 0.892 1299 K CB -0.315 32.206 32.500 0.034 0.000 1.207 1299 K HN 0.741 nan 8.250 nan 0.000 0.456 1300 T N 2.798 117.384 114.554 0.055 0.000 1.451 1300 T HA -0.069 4.279 4.350 -0.004 0.000 0.669 1300 T C -2.430 172.300 174.700 0.051 0.000 0.957 1300 T CA 0.089 62.228 62.100 0.065 0.000 3.547 1300 T CB -0.260 68.665 68.868 0.094 0.000 2.038 1300 T HN 0.182 nan 8.240 nan 0.000 0.411 1301 P HA 0.746 nan 4.420 nan 0.000 0.346 1301 P C 0.516 177.836 177.300 0.033 0.000 1.303 1301 P CA 0.420 63.536 63.100 0.028 0.000 0.801 1301 P CB 0.883 32.591 31.700 0.013 0.000 1.827 1302 V N -6.231 113.700 119.914 0.029 0.000 5.713 1302 V HA 0.564 4.682 4.120 -0.004 0.000 0.090 1302 V C 1.346 177.464 176.094 0.039 0.000 0.847 1302 V CA 0.386 62.712 62.300 0.043 0.000 1.307 1302 V CB -1.521 30.337 31.823 0.057 0.000 2.300 1302 V HN 0.652 nan 8.190 nan 0.000 0.453 1303 G N 1.888 110.718 108.800 0.049 0.000 2.416 1303 G HA2 -0.005 3.953 3.960 -0.004 0.000 0.301 1303 G HA3 -0.005 3.953 3.960 -0.004 0.000 0.301 1303 G C 0.580 175.516 174.900 0.059 0.000 0.985 1303 G CA 0.870 45.998 45.100 0.046 0.000 0.934 1303 G HN 1.970 nan 8.290 nan 0.000 0.513 1304 A N -1.924 120.960 122.820 0.108 0.000 2.645 1304 A HA 0.367 4.685 4.320 -0.004 0.000 0.233 1304 A C 2.012 179.687 177.584 0.151 0.000 1.100 1304 A CA 1.305 53.431 52.037 0.148 0.000 0.793 1304 A CB -0.543 18.593 19.000 0.227 0.000 1.028 1304 A HN 2.304 nan 8.150 nan 0.000 0.516 1305 C N -1.062 118.321 119.300 0.139 0.000 5.885 1305 C HA -0.298 4.160 4.460 -0.004 0.000 0.328 1305 C C 2.201 177.195 174.990 0.005 0.000 2.433 1305 C CA 1.844 60.903 59.018 0.068 0.000 2.197 1305 C CB -1.629 26.084 27.740 -0.045 0.000 3.236 1305 C HN 2.238 nan 8.230 nan 0.000 0.260 1306 A N -0.299 122.477 122.820 -0.075 0.000 2.308 1306 A HA 0.405 4.723 4.320 -0.004 0.000 0.217 1306 A C 0.943 178.471 177.584 -0.094 0.000 1.216 1306 A CA 1.963 53.896 52.037 -0.173 0.000 0.864 1306 A CB -0.423 18.455 19.000 -0.204 0.000 0.902 1306 A HN 1.116 nan 8.150 nan 0.000 0.499 1307 T N -0.621 113.910 114.554 -0.038 0.000 2.895 1307 T HA 0.227 4.575 4.350 -0.004 0.000 0.386 1307 T C 1.580 176.254 174.700 -0.044 0.000 1.112 1307 T CA 2.399 64.478 62.100 -0.034 0.000 1.070 1307 T CB 0.130 68.983 68.868 -0.024 0.000 1.319 1307 T HN 1.749 nan 8.240 nan 0.000 0.519 1308 S N -1.777 113.890 115.700 -0.056 0.000 1.637 1308 S HA -0.264 4.204 4.470 -0.004 0.000 0.232 1308 S C 1.520 176.109 174.600 -0.017 0.000 0.808 1308 S CA 1.854 60.028 58.200 -0.044 0.000 1.437 1308 S CB -2.243 60.948 63.200 -0.015 0.000 1.838 1308 S HN 0.785 nan 8.310 nan 0.000 0.525 1309 V N 3.663 123.565 119.914 -0.021 0.000 2.515 1309 V HA -0.067 4.051 4.120 -0.004 0.000 0.250 1309 V C 2.818 178.895 176.094 -0.029 0.000 1.058 1309 V CA 2.780 65.065 62.300 -0.025 0.000 1.064 1309 V CB -1.099 30.691 31.823 -0.055 0.000 0.675 1309 V HN 0.838 nan 8.190 nan 0.000 0.461 1310 E N 0.458 120.637 120.200 -0.034 0.000 2.160 1310 E HA -0.226 4.121 4.350 -0.004 0.000 0.195 1310 E C 2.228 178.820 176.600 -0.013 0.000 0.991 1310 E CA 1.933 58.318 56.400 -0.025 0.000 0.810 1310 E CB -0.426 29.261 29.700 -0.022 0.000 0.742 1310 E HN 0.520 nan 8.360 nan 0.000 0.466 1311 S N -0.909 114.783 115.700 -0.013 0.000 2.326 1311 S HA -0.110 4.358 4.470 -0.004 0.000 0.211 1311 S C 1.946 176.552 174.600 0.010 0.000 1.031 1311 S CA 1.342 59.542 58.200 -0.001 0.000 0.985 1311 S CB -0.774 62.424 63.200 -0.004 0.000 0.961 1311 S HN 0.218 nan 8.310 nan 0.000 0.436 1312 V N 3.497 123.419 119.914 0.015 0.000 2.255 1312 V HA -0.380 3.738 4.120 -0.004 0.000 0.258 1312 V C 2.453 178.556 176.094 0.014 0.000 1.069 1312 V CA 2.742 65.053 62.300 0.020 0.000 1.082 1312 V CB -1.238 30.593 31.823 0.014 0.000 0.707 1312 V HN 0.750 nan 8.190 nan 0.000 0.466 1313 D N -0.343 120.059 120.400 0.004 0.000 2.242 1313 D HA -0.242 4.396 4.640 -0.004 0.000 0.193 1313 D C 2.058 178.362 176.300 0.007 0.000 1.005 1313 D CA 2.843 56.844 54.000 0.002 0.000 0.856 1313 D CB -0.302 40.495 40.800 -0.006 0.000 1.001 1313 D HN 0.467 nan 8.370 nan 0.000 0.452 1314 I N 0.885 121.460 120.570 0.007 0.000 2.121 1314 I HA -0.344 3.824 4.170 -0.004 0.000 0.243 1314 I C 2.635 178.762 176.117 0.017 0.000 1.047 1314 I CA 1.923 63.230 61.300 0.012 0.000 1.308 1314 I CB -0.726 37.282 38.000 0.014 0.000 1.015 1314 I HN 0.245 nan 8.210 nan 0.000 0.410 1315 G N -0.294 108.519 108.800 0.023 0.000 2.434 1315 G HA2 -0.234 3.724 3.960 -0.004 0.000 0.214 1315 G HA3 -0.234 3.724 3.960 -0.004 0.000 0.214 1315 G C 1.743 176.656 174.900 0.021 0.000 1.202 1315 G CA 0.843 45.959 45.100 0.028 0.000 0.788 1315 G HN 0.297 nan 8.290 nan 0.000 0.539 1316 V N 0.647 120.572 119.914 0.019 0.000 2.317 1316 V HA -0.200 3.918 4.120 -0.004 0.000 0.251 1316 V C 2.737 178.837 176.094 0.009 0.000 1.065 1316 V CA 2.887 65.196 62.300 0.015 0.000 1.049 1316 V CB -0.290 31.542 31.823 0.015 0.000 0.651 1316 V HN 0.419 nan 8.190 nan 0.000 0.450 1317 E N -0.601 119.603 120.200 0.008 0.000 2.409 1317 E HA -0.102 4.246 4.350 -0.004 0.000 0.198 1317 E C 2.048 178.651 176.600 0.004 0.000 1.024 1317 E CA 1.357 57.760 56.400 0.004 0.000 0.861 1317 E CB -0.156 29.545 29.700 0.002 0.000 0.788 1317 E HN 0.693 nan 8.360 nan 0.000 0.521 1318 T N -0.017 114.542 114.554 0.008 0.000 3.051 1318 T HA 0.089 4.437 4.350 -0.004 0.000 0.255 1318 T C 1.508 176.212 174.700 0.008 0.000 1.085 1318 T CA -0.036 62.070 62.100 0.010 0.000 1.109 1318 T CB 0.199 69.076 68.868 0.016 0.000 0.921 1318 T HN 0.069 nan 8.240 nan 0.000 0.488 1319 I N 1.700 122.274 120.570 0.007 0.000 2.202 1319 I HA -0.050 4.118 4.170 -0.004 0.000 0.242 1319 I C 2.254 178.371 176.117 -0.000 0.000 1.091 1319 I CA 0.846 62.148 61.300 0.003 0.000 1.368 1319 I CB -1.331 36.671 38.000 0.003 0.000 1.058 1319 I HN 0.237 nan 8.210 nan 0.000 0.410 1320 L N 1.054 122.276 121.223 -0.002 0.000 1.952 1320 L HA -0.198 4.140 4.340 -0.004 0.000 0.236 1320 L C 1.587 178.452 176.870 -0.008 0.000 1.092 1320 L CA 1.538 56.373 54.840 -0.009 0.000 0.817 1320 L CB -1.356 40.695 42.059 -0.012 0.000 0.907 1320 L HN 0.145 nan 8.230 nan 0.000 0.438 1321 S N 0.041 115.737 115.700 -0.007 0.000 2.593 1321 S HA 0.196 4.664 4.470 -0.004 0.000 0.300 1321 S C 0.979 175.579 174.600 -0.000 0.000 1.267 1321 S CA 0.081 58.278 58.200 -0.005 0.000 1.065 1321 S CB -0.142 63.056 63.200 -0.003 0.000 0.807 1321 S HN 0.797 nan 8.310 nan 0.000 0.499 1322 G N 4.391 113.191 108.800 0.000 0.000 3.211 1322 G HA2 -0.019 3.939 3.960 -0.004 0.000 0.235 1322 G HA3 -0.019 3.939 3.960 -0.004 0.000 0.235 1322 G C 0.845 175.752 174.900 0.012 0.000 1.032 1322 G CA -0.102 45.001 45.100 0.006 0.000 1.819 1322 G HN 0.811 nan 8.290 nan 0.000 0.590 1323 K N -0.372 120.035 120.400 0.012 0.000 2.314 1323 K HA 0.447 4.765 4.320 -0.004 0.000 0.198 1323 K C 0.757 177.371 176.600 0.023 0.000 1.045 1323 K CA 0.821 57.119 56.287 0.018 0.000 0.988 1323 K CB 0.228 32.738 32.500 0.016 0.000 0.783 1323 K HN 0.465 nan 8.250 nan 0.000 0.484 1324 A N 1.134 123.964 122.820 0.017 0.000 2.611 1324 A HA 0.225 4.543 4.320 -0.004 0.000 0.302 1324 A C -1.686 175.896 177.584 -0.005 0.000 0.947 1324 A CA -1.138 50.905 52.037 0.011 0.000 0.697 1324 A CB 0.540 19.548 19.000 0.012 0.000 1.247 1324 A HN 0.133 nan 8.150 nan 0.000 0.403 1325 R N 0.814 121.298 120.500 -0.027 0.000 2.778 1325 R HA 0.848 5.186 4.340 -0.004 0.000 0.277 1325 R C -0.771 175.473 176.300 -0.093 0.000 0.977 1325 R CA -0.561 55.516 56.100 -0.038 0.000 0.950 1325 R CB 0.556 30.846 30.300 -0.017 0.000 1.165 1325 R HN 1.493 nan 8.270 nan 0.000 0.474 1326 I N -0.330 120.200 120.570 -0.066 0.000 6.847 1326 I HA -0.232 3.936 4.170 -0.004 0.000 0.126 1326 I C -0.081 176.011 176.117 -0.042 0.000 1.831 1326 I CA 0.126 61.377 61.300 -0.081 0.000 2.038 1326 I CB -1.565 36.318 38.000 -0.195 0.000 3.553 1326 I HN 0.917 nan 8.210 nan 0.000 0.169 1327 C N 4.367 123.674 119.300 0.013 0.000 2.354 1327 C HA 0.792 5.250 4.460 -0.004 0.000 0.381 1327 C C 1.782 176.832 174.990 0.099 0.000 1.240 1327 C CA -0.215 58.834 59.018 0.050 0.000 2.089 1327 C CB 1.519 29.287 27.740 0.046 0.000 2.234 1327 C HN 0.741 nan 8.230 nan 0.000 0.544 1328 I N 2.531 123.177 120.570 0.127 0.000 3.936 1328 I HA 0.334 4.502 4.170 -0.004 0.000 0.330 1328 I C 0.689 176.891 176.117 0.142 0.000 1.509 1328 I CA 0.329 61.730 61.300 0.169 0.000 1.126 1328 I CB -0.393 37.733 38.000 0.212 0.000 1.115 1328 I HN 0.796 nan 8.210 nan 0.000 0.424 1329 V N 1.154 121.134 119.914 0.110 0.000 0.690 1329 V HA -0.245 3.872 4.120 -0.004 0.000 0.092 1329 V C 0.550 176.693 176.094 0.082 0.000 0.775 1329 V CA 0.960 63.315 62.300 0.091 0.000 3.098 1329 V CB -1.334 30.549 31.823 0.101 0.000 0.185 1329 V HN 0.716 nan 8.190 nan 0.000 0.077 1330 G N -2.731 106.106 108.800 0.061 0.000 2.554 1330 G HA2 0.892 4.850 3.960 -0.004 0.000 0.306 1330 G HA3 0.892 4.850 3.960 -0.004 0.000 0.306 1330 G C 0.128 174.973 174.900 -0.091 0.000 1.320 1330 G CA 0.862 45.952 45.100 -0.017 0.000 0.800 1330 G HN 2.647 nan 8.290 nan 0.000 0.481 1331 G N -1.604 106.972 108.800 -0.373 0.000 2.295 1331 G HA2 0.611 4.569 3.960 -0.004 0.000 0.155 1331 G HA3 0.611 4.569 3.960 -0.004 0.000 0.155 1331 G C -0.076 174.392 174.900 -0.721 0.000 1.307 1331 G CA 0.463 45.362 45.100 -0.335 0.000 1.140 1331 G HN 2.658 nan 8.290 nan 0.000 0.470 1332 Y N -0.817 119.475 120.300 -0.013 0.000 2.514 1332 Y HA 0.163 4.711 4.550 -0.004 0.000 0.285 1332 Y C -0.626 175.272 175.900 -0.004 0.000 1.697 1332 Y CA 0.473 58.548 58.100 -0.041 0.000 1.418 1332 Y CB -0.693 37.796 38.460 0.048 0.000 2.055 1332 Y HN 1.296 nan 8.280 nan 0.000 0.258 1333 D N 0.897 121.397 120.400 0.167 0.000 2.890 1333 D HA 0.338 4.976 4.640 -0.004 0.000 0.306 1333 D C -1.883 174.456 176.300 0.065 0.000 1.280 1333 D CA -0.003 54.087 54.000 0.151 0.000 0.742 1333 D CB 1.953 42.831 40.800 0.129 0.000 1.266 1333 D HN 0.702 nan 8.370 nan 0.000 0.433 1334 D N -1.044 119.413 120.400 0.094 0.000 2.664 1334 D HA 0.507 5.145 4.640 -0.004 0.000 0.292 1334 D C -1.621 174.771 176.300 0.153 0.000 1.214 1334 D CA -0.435 53.618 54.000 0.089 0.000 0.932 1334 D CB 1.341 42.229 40.800 0.145 0.000 1.420 1334 D HN 0.121 nan 8.370 nan 0.000 0.471 1335 F N 1.971 121.924 119.950 0.004 0.000 2.382 1335 F HA 0.597 5.122 4.527 -0.003 0.000 0.361 1335 F C -0.756 175.051 175.800 0.011 0.000 1.109 1335 F CA -0.272 57.728 58.000 -0.001 0.000 1.031 1335 F CB 1.072 40.095 39.000 0.038 0.000 1.234 1335 F HN 0.181 nan 8.300 nan 0.000 0.445 1336 Q N 3.140 122.598 119.800 -0.570 0.000 2.495 1336 Q HA 0.282 4.619 4.340 -0.004 0.000 0.283 1336 Q C 1.085 176.711 176.000 -0.625 0.000 1.097 1336 Q CA -0.399 55.061 55.803 -0.572 0.000 0.836 1336 Q CB 1.709 30.285 28.738 -0.270 0.000 1.426 1336 Q HN 0.752 nan 8.270 nan 0.000 0.459 1337 E N 0.692 120.638 120.200 -0.422 0.000 2.026 1337 E HA -0.311 4.037 4.350 -0.004 0.000 0.206 1337 E C 1.054 177.516 176.600 -0.231 0.000 1.028 1337 E CA 2.104 58.325 56.400 -0.298 0.000 0.845 1337 E CB 0.050 29.615 29.700 -0.225 0.000 0.772 1337 E HN 0.712 nan 8.360 nan 0.000 0.462 1338 E N 0.423 120.494 120.200 -0.215 0.000 2.130 1338 E HA -0.193 4.155 4.350 -0.004 0.000 0.196 1338 E C 1.982 178.544 176.600 -0.062 0.000 0.998 1338 E CA 1.167 57.470 56.400 -0.161 0.000 0.806 1338 E CB -1.027 28.587 29.700 -0.143 0.000 0.738 1338 E HN 0.447 nan 8.360 nan 0.000 0.459 1339 G N 1.983 110.706 108.800 -0.128 0.000 2.941 1339 G HA2 -0.304 3.654 3.960 -0.004 0.000 0.206 1339 G HA3 -0.304 3.654 3.960 -0.004 0.000 0.206 1339 G C 0.879 175.746 174.900 -0.054 0.000 1.403 1339 G CA 1.398 46.424 45.100 -0.123 0.000 0.805 1339 G HN 0.439 nan 8.290 nan 0.000 0.689 1340 S N -1.270 114.439 115.700 0.015 0.000 2.586 1340 S HA 0.264 4.732 4.470 -0.004 0.000 0.256 1340 S C 0.101 174.885 174.600 0.306 0.000 1.392 1340 S CA 0.419 58.742 58.200 0.205 0.000 0.983 1340 S CB -0.343 63.169 63.200 0.520 0.000 0.897 1340 S HN 1.382 nan 8.310 nan 0.000 0.566 1341 F N 1.028 121.045 119.950 0.112 0.000 2.183 1341 F HA -0.213 4.312 4.527 -0.004 0.000 0.318 1341 F C 0.757 176.647 175.800 0.150 0.000 1.197 1341 F CA 1.400 59.457 58.000 0.096 0.000 0.913 1341 F CB -0.639 38.389 39.000 0.047 0.000 4.134 1341 F HN 0.959 nan 8.300 nan 0.000 0.138 1342 E N 0.034 120.443 120.200 0.348 0.000 4.120 1342 E HA -0.317 4.031 4.350 -0.004 0.000 0.191 1342 E C 0.364 177.124 176.600 0.266 0.000 1.227 1342 E CA 2.197 58.792 56.400 0.324 0.000 2.327 1342 E CB -1.434 28.504 29.700 0.397 0.000 1.820 1342 E HN 0.439 nan 8.360 nan 0.000 0.383 1343 F N 1.055 121.044 119.950 0.065 0.000 2.435 1343 F HA 0.354 4.879 4.527 -0.004 0.000 0.316 1343 F C 2.339 178.124 175.800 -0.025 0.000 1.220 1343 F CA 1.508 59.534 58.000 0.043 0.000 1.241 1343 F CB -0.018 39.036 39.000 0.089 0.000 1.234 1343 F HN 0.519 nan 8.300 nan 0.000 0.569 1344 G N 0.931 109.810 108.800 0.132 0.000 3.639 1344 G HA2 -0.475 3.483 3.960 -0.004 0.000 0.224 1344 G HA3 -0.475 3.483 3.960 -0.004 0.000 0.224 1344 G C 1.422 176.279 174.900 -0.072 0.000 1.339 1344 G CA 0.882 45.981 45.100 -0.001 0.000 0.933 1344 G HN 0.676 nan 8.290 nan 0.000 0.568 1345 N N -0.075 118.548 118.700 -0.128 0.000 2.381 1345 N HA 0.053 4.791 4.740 -0.004 0.000 0.182 1345 N C 2.047 177.513 175.510 -0.074 0.000 1.025 1345 N CA 1.183 54.120 53.050 -0.188 0.000 0.888 1345 N CB -0.127 38.202 38.487 -0.264 0.000 0.965 1345 N HN 0.490 nan 8.380 nan 0.000 0.438 1346 M N 0.838 120.418 119.600 -0.034 0.000 2.563 1346 M HA 0.085 4.563 4.480 -0.004 0.000 0.231 1346 M C 0.047 176.336 176.300 -0.018 0.000 1.136 1346 M CA 0.640 55.910 55.300 -0.051 0.000 1.026 1346 M CB 0.236 32.748 32.600 -0.146 0.000 1.597 1346 M HN -0.127 nan 8.290 nan 0.000 0.495 1347 K N -2.661 117.733 120.400 -0.010 0.000 3.472 1347 K HA -0.239 4.079 4.320 -0.004 0.000 0.315 1347 K C 0.668 177.299 176.600 0.052 0.000 1.320 1347 K CA 0.948 57.239 56.287 0.008 0.000 0.962 1347 K CB -2.358 30.147 32.500 0.007 0.000 1.251 1347 K HN 0.538 nan 8.250 nan 0.000 0.443 1348 A N 0.205 123.081 122.820 0.093 0.000 2.070 1348 A HA 0.111 4.429 4.320 -0.004 0.000 0.221 1348 A C 1.712 179.365 177.584 0.115 0.000 1.603 1348 A CA 1.868 54.035 52.037 0.216 0.000 0.639 1348 A CB -0.703 18.545 19.000 0.413 0.000 1.235 1348 A HN 0.292 nan 8.150 nan 0.000 0.518 1349 T N -0.293 114.209 114.554 -0.086 0.000 1.711 1349 T HA -0.281 4.067 4.350 -0.004 0.000 0.114 1349 T C 0.979 175.466 174.700 -0.355 0.000 1.880 1349 T CA 3.598 65.367 62.100 -0.551 0.000 0.833 1349 T CB -1.340 67.406 68.868 -0.203 0.000 0.785 1349 T HN 2.045 nan 8.240 nan 0.000 0.398 1350 S N -0.014 115.601 115.700 -0.142 0.000 2.636 1350 S HA 0.411 4.879 4.470 -0.004 0.000 0.277 1350 S C -1.716 172.866 174.600 -0.031 0.000 1.154 1350 S CA -0.155 58.016 58.200 -0.049 0.000 1.069 1350 S CB 1.398 64.572 63.200 -0.043 0.000 1.226 1350 S HN 0.880 nan 8.310 nan 0.000 0.457 1351 N N 1.181 119.880 118.700 -0.002 0.000 2.653 1351 N HA 0.454 5.192 4.740 -0.004 0.000 0.261 1351 N C -0.720 174.822 175.510 0.054 0.000 1.216 1351 N CA 0.231 53.288 53.050 0.012 0.000 0.784 1351 N CB 1.563 40.051 38.487 0.002 0.000 1.327 1351 N HN 0.921 nan 8.380 nan 0.000 0.539 1352 T N 0.928 115.530 114.554 0.080 0.000 2.855 1352 T HA 0.338 4.686 4.350 -0.004 0.000 0.322 1352 T C 0.354 175.170 174.700 0.194 0.000 1.088 1352 T CA -0.227 61.987 62.100 0.191 0.000 1.104 1352 T CB 0.496 69.490 68.868 0.210 0.000 0.996 1352 T HN 0.735 nan 8.240 nan 0.000 0.549 1353 L N 0.672 122.110 121.223 0.358 0.000 0.589 1353 L HA -0.187 4.151 4.340 -0.004 0.000 0.356 1353 L C 0.926 177.857 176.870 0.101 0.000 1.004 1353 L CA 1.319 56.248 54.840 0.148 0.000 1.223 1353 L CB -1.149 40.904 42.059 -0.011 0.000 0.059 1353 L HN 1.147 nan 8.230 nan 0.000 0.097 1354 E N 1.187 121.403 120.200 0.026 0.000 3.948 1354 E HA -0.370 3.978 4.350 -0.004 0.000 0.200 1354 E C 0.945 177.527 176.600 -0.030 0.000 1.198 1354 E CA 1.688 58.024 56.400 -0.106 0.000 2.232 1354 E CB -0.869 28.774 29.700 -0.094 0.000 1.824 1354 E HN 0.843 nan 8.360 nan 0.000 0.346 1355 E N 0.308 120.541 120.200 0.055 0.000 2.396 1355 E HA -0.093 4.255 4.350 -0.004 0.000 0.200 1355 E C 1.515 178.161 176.600 0.075 0.000 1.023 1355 E CA 1.300 57.755 56.400 0.092 0.000 0.857 1355 E CB -0.138 29.597 29.700 0.058 0.000 0.775 1355 E HN 0.294 nan 8.360 nan 0.000 0.525 1356 F N 0.125 120.069 119.950 -0.009 0.000 2.287 1356 F HA 0.195 4.720 4.527 -0.003 0.000 0.276 1356 F C 2.124 177.904 175.800 -0.034 0.000 1.047 1356 F CA 1.017 59.005 58.000 -0.019 0.000 1.194 1356 F CB -0.496 38.483 39.000 -0.035 0.000 1.118 1356 F HN -0.002 nan 8.300 nan 0.000 0.556 1357 E N -0.852 119.494 120.200 0.242 0.000 2.233 1357 E HA -0.268 4.079 4.350 -0.004 0.000 0.199 1357 E C 1.542 178.178 176.600 0.061 0.000 1.004 1357 E CA 1.544 57.991 56.400 0.078 0.000 0.819 1357 E CB -0.184 29.493 29.700 -0.038 0.000 0.738 1357 E HN 0.607 nan 8.360 nan 0.000 0.478 1358 H N -1.316 117.756 119.070 0.003 0.000 3.144 1358 H HA 0.154 4.708 4.556 -0.003 0.000 0.319 1358 H C 0.634 175.912 175.328 -0.084 0.000 1.080 1358 H CA 0.254 56.275 56.048 -0.045 0.000 1.433 1358 H CB -0.004 29.742 29.762 -0.027 0.000 1.687 1358 H HN 0.133 nan 8.280 nan 0.000 0.879 1359 G N 0.351 109.208 108.800 0.094 0.000 2.922 1359 G HA2 0.219 4.176 3.960 -0.004 0.000 0.335 1359 G HA3 0.219 4.176 3.960 -0.004 0.000 0.335 1359 G C -0.089 174.793 174.900 -0.030 0.000 1.016 1359 G CA -0.402 44.713 45.100 0.025 0.000 1.306 1359 G HN 0.268 nan 8.290 nan 0.000 0.465 1360 R N 0.990 121.427 120.500 -0.106 0.000 2.614 1360 R HA -0.226 4.111 4.340 -0.004 0.000 0.419 1360 R C 1.677 177.786 176.300 -0.318 0.000 0.461 1360 R CA 1.797 57.748 56.100 -0.248 0.000 1.531 1360 R CB -1.636 28.565 30.300 -0.166 0.000 0.512 1360 R HN 1.185 nan 8.270 nan 0.000 0.597 1361 T N -2.449 111.963 114.554 -0.237 0.000 0.551 1361 T HA -0.131 4.217 4.350 -0.004 0.000 0.772 1361 T C -1.571 172.993 174.700 -0.226 0.000 0.992 1361 T CA 0.327 62.328 62.100 -0.165 0.000 4.070 1361 T CB -0.236 68.613 68.868 -0.033 0.000 2.299 1361 T HN 0.550 nan 8.240 nan 0.000 0.397 1362 P HA 0.105 nan 4.420 nan 0.000 0.236 1362 P C 1.542 178.826 177.300 -0.025 0.000 1.177 1362 P CA 0.921 63.931 63.100 -0.150 0.000 0.773 1362 P CB -0.172 31.463 31.700 -0.107 0.000 0.878 1363 A N 0.915 123.746 122.820 0.018 0.000 1.832 1363 A HA -0.145 4.172 4.320 -0.004 0.000 0.214 1363 A C 2.025 179.748 177.584 0.232 0.000 1.200 1363 A CA 1.118 53.237 52.037 0.136 0.000 0.610 1363 A CB -1.294 17.789 19.000 0.138 0.000 0.842 1363 A HN 0.095 nan 8.150 nan 0.000 0.444 1364 E N -1.342 118.928 120.200 0.117 0.000 3.362 1364 E HA -0.215 4.133 4.350 -0.004 0.000 0.456 1364 E C 1.051 177.682 176.600 0.053 0.000 0.807 1364 E CA 1.339 57.761 56.400 0.036 0.000 2.858 1364 E CB -0.272 29.412 29.700 -0.028 0.000 0.849 1364 E HN 0.466 nan 8.360 nan 0.000 0.494 1365 M N -1.338 118.261 119.600 -0.003 0.000 2.777 1365 M HA -0.283 4.194 4.480 -0.004 0.000 0.140 1365 M C 0.353 176.681 176.300 0.047 0.000 0.705 1365 M CA 0.920 56.231 55.300 0.018 0.000 0.526 1365 M CB -1.236 31.378 32.600 0.024 0.000 1.950 1365 M HN 0.135 nan 8.290 nan 0.000 0.280 1366 S N 0.694 116.427 115.700 0.055 0.000 2.652 1366 S HA 0.546 5.014 4.470 -0.004 0.000 0.252 1366 S C -0.299 174.172 174.600 -0.215 0.000 1.219 1366 S CA -0.823 57.432 58.200 0.091 0.000 1.151 1366 S CB 0.632 64.072 63.200 0.400 0.000 1.080 1366 S HN 0.384 nan 8.310 nan 0.000 0.481 1367 R N 2.786 123.150 120.500 -0.227 0.000 2.644 1367 R HA 0.325 4.663 4.340 -0.004 0.000 0.271 1367 R C -3.179 172.944 176.300 -0.296 0.000 1.687 1367 R CA -1.943 53.942 56.100 -0.359 0.000 1.655 1367 R CB 0.231 30.342 30.300 -0.316 0.000 1.285 1367 R HN 0.255 nan 8.270 nan 0.000 0.643 1368 P HA -0.138 nan 4.420 nan 0.000 0.253 1368 P C -0.122 176.816 177.300 -0.603 0.000 1.159 1368 P CA 1.303 64.109 63.100 -0.489 0.000 0.779 1368 P CB 0.424 31.691 31.700 -0.722 0.000 0.745 1369 A N 3.607 126.145 122.820 -0.469 0.000 2.423 1369 A HA 0.015 4.333 4.320 -0.004 0.000 0.682 1369 A C 0.898 178.298 177.584 -0.307 0.000 0.145 1369 A CA 0.778 52.551 52.037 -0.441 0.000 0.058 1369 A CB -1.958 16.586 19.000 -0.760 0.000 3.950 1369 A HN 0.818 nan 8.150 nan 0.000 0.545 1370 T N -1.821 112.614 114.554 -0.198 0.000 4.874 1370 T HA 0.279 4.626 4.350 -0.004 0.000 0.297 1370 T C 1.383 176.024 174.700 -0.098 0.000 1.005 1370 T CA 1.038 63.055 62.100 -0.138 0.000 0.561 1370 T CB -1.295 67.481 68.868 -0.154 0.000 0.843 1370 T HN 2.603 nan 8.240 nan 0.000 0.601 1371 T N 1.102 115.602 114.554 -0.090 0.000 13.163 1371 T HA -0.270 4.078 4.350 -0.004 0.000 0.413 1371 T C 1.268 175.933 174.700 -0.059 0.000 1.487 1371 T CA 2.008 64.071 62.100 -0.062 0.000 2.430 1371 T CB -2.173 66.663 68.868 -0.053 0.000 2.746 1371 T HN 0.632 nan 8.240 nan 0.000 0.581 1372 T N 4.070 118.579 114.554 -0.074 0.000 3.155 1372 T HA 0.081 4.429 4.350 -0.004 0.000 0.264 1372 T C 0.802 175.471 174.700 -0.052 0.000 1.160 1372 T CA 1.007 63.068 62.100 -0.066 0.000 1.075 1372 T CB -0.519 68.295 68.868 -0.090 0.000 0.921 1372 T HN 0.839 nan 8.240 nan 0.000 0.533 1373 R N 1.753 122.213 120.500 -0.067 0.000 2.811 1373 R HA 0.283 4.621 4.340 -0.004 0.000 0.265 1373 R C 0.770 177.061 176.300 -0.015 0.000 1.026 1373 R CA 0.036 56.099 56.100 -0.062 0.000 1.142 1373 R CB 0.198 30.448 30.300 -0.083 0.000 1.027 1373 R HN -0.055 nan 8.270 nan 0.000 0.465 1374 N N -1.476 117.230 118.700 0.011 0.000 2.070 1374 N HA 0.139 4.877 4.740 -0.004 0.000 0.284 1374 N C -0.818 174.733 175.510 0.068 0.000 1.046 1374 N CA 0.884 53.956 53.050 0.036 0.000 0.730 1374 N CB 1.517 40.027 38.487 0.038 0.000 1.826 1374 N HN 0.789 nan 8.380 nan 0.000 0.704 1375 G N 0.339 109.196 108.800 0.094 0.000 2.355 1375 G HA2 0.323 4.281 3.960 -0.004 0.000 0.296 1375 G HA3 0.323 4.281 3.960 -0.004 0.000 0.296 1375 G C -0.187 174.848 174.900 0.224 0.000 1.507 1375 G CA -0.268 44.942 45.100 0.184 0.000 0.823 1375 G HN 0.053 nan 8.290 nan 0.000 0.569 1376 F N -0.416 119.580 119.950 0.076 0.000 2.153 1376 F HA 0.738 5.263 4.527 -0.003 0.000 0.276 1376 F C 1.244 177.099 175.800 0.092 0.000 1.340 1376 F CA 0.683 58.733 58.000 0.084 0.000 1.094 1376 F CB -0.407 38.647 39.000 0.090 0.000 0.964 1376 F HN 1.064 nan 8.300 nan 0.000 0.522 1377 M N -0.774 118.827 119.600 0.001 0.000 2.900 1377 M HA 0.062 4.540 4.480 -0.004 0.000 0.095 1377 M C -0.789 175.550 176.300 0.064 0.000 0.874 1377 M CA -0.414 54.812 55.300 -0.122 0.000 0.642 1377 M CB -1.151 31.415 32.600 -0.057 0.000 2.786 1377 M HN 0.646 nan 8.290 nan 0.000 0.230 1378 E N 1.620 121.907 120.200 0.145 0.000 2.556 1378 E HA 0.388 4.736 4.350 -0.004 0.000 0.273 1378 E C -0.390 176.208 176.600 -0.004 0.000 1.123 1378 E CA 0.916 57.443 56.400 0.212 0.000 1.033 1378 E CB 0.497 30.296 29.700 0.166 0.000 1.025 1378 E HN 0.892 nan 8.360 nan 0.000 0.465 1379 A N 1.192 124.079 122.820 0.111 0.000 2.486 1379 A HA 0.271 4.589 4.320 -0.004 0.000 0.289 1379 A C 0.698 178.345 177.584 0.104 0.000 1.176 1379 A CA -0.193 51.904 52.037 0.100 0.000 0.757 1379 A CB 1.473 20.647 19.000 0.290 0.000 1.337 1379 A HN 0.631 nan 8.150 nan 0.000 0.423 1380 Q N 0.372 120.373 119.800 0.334 0.000 1.858 1380 Q HA 0.257 4.595 4.340 -0.004 0.000 0.240 1380 Q C 0.958 176.774 176.000 -0.306 0.000 1.014 1380 Q CA 2.773 58.605 55.803 0.048 0.000 0.884 1380 Q CB -0.574 27.950 28.738 -0.358 0.000 0.957 1380 Q HN 2.454 nan 8.270 nan 0.000 0.419 1381 G N -1.732 106.841 108.800 -0.379 0.000 2.777 1381 G HA2 0.375 4.333 3.960 -0.004 0.000 0.686 1381 G HA3 0.375 4.333 3.960 -0.004 0.000 0.686 1381 G C -0.944 173.607 174.900 -0.582 0.000 1.177 1381 G CA -0.254 44.437 45.100 -0.683 0.000 0.775 1381 G HN 1.249 nan 8.290 nan 0.000 0.613 1382 A N 0.059 122.678 122.820 -0.334 0.000 2.436 1382 A HA 0.915 5.233 4.320 -0.004 0.000 0.295 1382 A C 0.067 177.835 177.584 0.307 0.000 0.971 1382 A CA 0.657 52.690 52.037 -0.006 0.000 0.803 1382 A CB 0.353 19.377 19.000 0.040 0.000 1.045 1382 A HN 2.957 nan 8.150 nan 0.000 0.363 1383 G N 0.336 109.314 108.800 0.296 0.000 2.759 1383 G HA2 0.740 4.698 3.960 -0.004 0.000 0.297 1383 G HA3 0.740 4.698 3.960 -0.004 0.000 0.297 1383 G C -1.682 173.385 174.900 0.278 0.000 1.434 1383 G CA -0.334 44.996 45.100 0.383 0.000 0.980 1383 G HN 1.545 nan 8.290 nan 0.000 0.531 1384 I N -0.394 120.312 120.570 0.227 0.000 3.042 1384 I HA 0.722 4.890 4.170 -0.004 0.000 0.310 1384 I C -0.866 175.371 176.117 0.199 0.000 1.117 1384 I CA -1.031 60.389 61.300 0.200 0.000 1.003 1384 I CB 2.476 40.581 38.000 0.176 0.000 1.228 1384 I HN 0.592 nan 8.210 nan 0.000 0.443 1385 Q N 5.665 125.583 119.800 0.197 0.000 2.309 1385 Q HA 0.613 4.951 4.340 -0.004 0.000 0.273 1385 Q C -1.410 174.711 176.000 0.202 0.000 1.040 1385 Q CA -0.634 55.306 55.803 0.228 0.000 0.834 1385 Q CB 2.815 31.681 28.738 0.214 0.000 1.345 1385 Q HN 0.606 nan 8.270 nan 0.000 0.414 1386 I N 0.105 120.819 120.570 0.240 0.000 2.354 1386 I HA 0.673 4.841 4.170 -0.004 0.000 0.292 1386 I C -0.604 175.614 176.117 0.168 0.000 0.989 1386 I CA -1.193 60.250 61.300 0.238 0.000 1.188 1386 I CB 0.505 38.724 38.000 0.365 0.000 1.342 1386 I HN 0.479 nan 8.210 nan 0.000 0.457 1387 I N 3.947 124.585 120.570 0.114 0.000 2.846 1387 I HA 0.728 4.896 4.170 -0.004 0.000 0.307 1387 I C -0.545 175.594 176.117 0.037 0.000 1.053 1387 I CA -1.270 60.073 61.300 0.072 0.000 1.050 1387 I CB 1.880 39.913 38.000 0.055 0.000 1.239 1387 I HN 0.630 nan 8.210 nan 0.000 0.439 1388 M N 1.829 121.441 119.600 0.020 0.000 2.619 1388 M HA 0.393 4.871 4.480 -0.004 0.000 0.297 1388 M C 0.273 176.569 176.300 -0.007 0.000 1.229 1388 M CA -0.545 54.754 55.300 -0.002 0.000 0.860 1388 M CB 2.178 34.778 32.600 -0.000 0.000 1.741 1388 M HN 0.815 nan 8.290 nan 0.000 0.462 1389 Q N 0.988 120.782 119.800 -0.010 0.000 2.594 1389 Q HA 0.029 4.367 4.340 -0.004 0.000 0.219 1389 Q C 0.768 176.750 176.000 -0.030 0.000 0.980 1389 Q CA 1.186 56.981 55.803 -0.013 0.000 0.962 1389 Q CB -0.100 28.637 28.738 -0.003 0.000 0.987 1389 Q HN 0.843 nan 8.270 nan 0.000 0.553 1390 A N -0.556 122.239 122.820 -0.041 0.000 1.266 1390 A HA -0.432 3.886 4.320 -0.004 0.000 0.297 1390 A C 1.110 178.641 177.584 -0.087 0.000 1.787 1390 A CA 1.497 53.484 52.037 -0.083 0.000 1.093 1390 A CB -2.178 16.761 19.000 -0.102 0.000 1.471 1390 A HN 0.628 nan 8.150 nan 0.000 0.723 1391 D N 0.846 121.200 120.400 -0.076 0.000 2.137 1391 D HA -0.168 4.470 4.640 -0.004 0.000 0.189 1391 D C 1.748 178.020 176.300 -0.047 0.000 0.998 1391 D CA 1.828 55.784 54.000 -0.074 0.000 0.839 1391 D CB -0.301 40.464 40.800 -0.058 0.000 0.962 1391 D HN 0.455 nan 8.370 nan 0.000 0.446 1392 L N 0.270 121.494 121.223 0.002 0.000 2.283 1392 L HA -0.211 4.127 4.340 -0.004 0.000 0.217 1392 L C 2.118 179.071 176.870 0.139 0.000 1.104 1392 L CA 1.459 56.348 54.840 0.081 0.000 0.772 1392 L CB -1.724 40.432 42.059 0.162 0.000 0.899 1392 L HN 0.075 nan 8.230 nan 0.000 0.439 1393 A N 0.106 122.962 122.820 0.061 0.000 1.865 1393 A HA -0.021 4.297 4.320 -0.004 0.000 0.216 1393 A C 2.229 179.875 177.584 0.104 0.000 1.315 1393 A CA 0.473 52.559 52.037 0.083 0.000 0.605 1393 A CB -0.789 18.212 19.000 0.001 0.000 0.984 1393 A HN 0.286 nan 8.150 nan 0.000 0.470 1394 L N -0.156 121.027 121.223 -0.067 0.000 2.270 1394 L HA -0.141 4.197 4.340 -0.004 0.000 0.217 1394 L C 1.130 178.040 176.870 0.067 0.000 1.107 1394 L CA 1.083 55.826 54.840 -0.161 0.000 0.772 1394 L CB -0.512 41.302 42.059 -0.408 0.000 0.902 1394 L HN 0.256 nan 8.230 nan 0.000 0.439 1395 K N 1.392 121.789 120.400 -0.005 0.000 2.262 1395 K HA 0.289 4.607 4.320 -0.004 0.000 0.288 1395 K C -0.328 176.226 176.600 -0.077 0.000 1.090 1395 K CA 0.026 56.260 56.287 -0.088 0.000 0.918 1395 K CB -0.120 32.259 32.500 -0.202 0.000 1.139 1395 K HN 0.017 nan 8.250 nan 0.000 0.462 1396 M N 2.893 122.490 119.600 -0.005 0.000 4.043 1396 M HA -0.174 4.304 4.480 -0.004 0.000 0.157 1396 M C 0.454 176.855 176.300 0.168 0.000 1.531 1396 M CA 0.869 56.208 55.300 0.066 0.000 1.096 1396 M CB -1.189 31.444 32.600 0.055 0.000 1.346 1396 M HN 0.983 nan 8.290 nan 0.000 0.195 1397 G N 2.626 111.465 108.800 0.066 0.000 2.942 1397 G HA2 0.032 3.990 3.960 -0.004 0.000 0.290 1397 G HA3 0.032 3.990 3.960 -0.004 0.000 0.290 1397 G C 0.536 175.486 174.900 0.082 0.000 0.295 1397 G CA 0.258 45.347 45.100 -0.019 0.000 1.201 1397 G HN 1.053 nan 8.290 nan 0.000 0.204 1398 V N 4.620 124.597 119.914 0.105 0.000 2.868 1398 V HA 0.481 4.599 4.120 -0.004 0.000 0.227 1398 V C -1.461 174.633 176.094 -0.000 0.000 1.136 1398 V CA 1.014 63.369 62.300 0.093 0.000 1.206 1398 V CB 0.843 32.752 31.823 0.144 0.000 0.997 1398 V HN 0.744 nan 8.190 nan 0.000 0.505 1399 P HA 0.363 nan 4.420 nan 0.000 0.285 1399 P C -0.920 176.250 177.300 -0.218 0.000 1.280 1399 P CA -0.532 62.519 63.100 -0.083 0.000 0.862 1399 P CB 1.505 33.079 31.700 -0.211 0.000 1.153 1400 I N -0.917 119.592 120.570 -0.101 0.000 2.342 1400 I HA 0.313 4.481 4.170 -0.004 0.000 0.291 1400 I C 0.324 176.280 176.117 -0.268 0.000 1.010 1400 I CA -0.628 60.569 61.300 -0.171 0.000 1.308 1400 I CB 0.311 38.240 38.000 -0.119 0.000 1.400 1400 I HN 0.238 nan 8.210 nan 0.000 0.488 1401 Y N 5.216 125.474 120.300 -0.070 0.000 2.976 1401 Y HA 0.442 4.990 4.550 -0.003 0.000 0.214 1401 Y C 1.892 177.686 175.900 -0.177 0.000 0.927 1401 Y CA 0.884 58.901 58.100 -0.139 0.000 1.000 1401 Y CB -0.883 37.421 38.460 -0.259 0.000 1.069 1401 Y HN 0.657 nan 8.280 nan 0.000 0.462 1402 G N 0.100 108.900 108.800 -0.000 0.000 2.588 1402 G HA2 0.411 4.369 3.960 -0.004 0.000 0.281 1402 G HA3 0.411 4.369 3.960 -0.004 0.000 0.281 1402 G C -1.304 173.559 174.900 -0.062 0.000 1.236 1402 G CA -0.444 44.608 45.100 -0.080 0.000 0.969 1402 G HN 0.427 nan 8.290 nan 0.000 0.504 1403 I N 0.300 120.841 120.570 -0.048 0.000 2.476 1403 I HA 0.366 4.534 4.170 -0.004 0.000 0.281 1403 I C -0.289 175.844 176.117 0.026 0.000 1.040 1403 I CA -0.794 60.501 61.300 -0.008 0.000 1.094 1403 I CB 1.467 39.477 38.000 0.015 0.000 1.219 1403 I HN 0.240 nan 8.210 nan 0.000 0.450 1404 V N 7.903 127.829 119.914 0.020 0.000 2.625 1404 V HA 0.011 4.129 4.120 -0.004 0.000 0.305 1404 V C 1.046 177.167 176.094 0.045 0.000 1.055 1404 V CA 1.291 63.605 62.300 0.024 0.000 1.209 1404 V CB 0.317 32.153 31.823 0.022 0.000 0.877 1404 V HN 0.970 nan 8.190 nan 0.000 0.489 1405 A N 5.463 128.298 122.820 0.025 0.000 2.213 1405 A HA 0.541 4.859 4.320 -0.004 0.000 0.220 1405 A C 0.642 178.242 177.584 0.027 0.000 2.232 1405 A CA 0.008 52.059 52.037 0.023 0.000 1.017 1405 A CB -0.154 18.839 19.000 -0.012 0.000 1.372 1405 A HN 0.651 nan 8.150 nan 0.000 0.614 1406 M N 0.066 119.671 119.600 0.008 0.000 2.291 1406 M HA 0.634 5.112 4.480 -0.004 0.000 0.324 1406 M C -0.336 175.966 176.300 0.004 0.000 1.148 1406 M CA 0.002 55.308 55.300 0.011 0.000 1.104 1406 M CB 1.395 33.990 32.600 -0.008 0.000 1.483 1406 M HN 0.482 nan 8.290 nan 0.000 0.467 1407 A N 3.927 126.750 122.820 0.005 0.000 3.204 1407 A HA 0.714 5.032 4.320 -0.004 0.000 0.327 1407 A C 0.667 178.243 177.584 -0.013 0.000 0.998 1407 A CA -0.164 51.872 52.037 -0.003 0.000 0.891 1407 A CB -1.051 17.952 19.000 0.005 0.000 1.061 1407 A HN 1.392 nan 8.150 nan 0.000 0.478 1408 A N 0.603 123.406 122.820 -0.028 0.000 4.723 1408 A HA 0.015 4.333 4.320 -0.004 0.000 1.014 1408 A C 1.270 178.836 177.584 -0.030 0.000 1.486 1408 A CA 1.872 53.885 52.037 -0.041 0.000 3.419 1408 A CB -1.536 17.428 19.000 -0.061 0.000 1.716 1408 A HN 2.420 nan 8.150 nan 0.000 1.042 1409 T N -2.623 111.911 114.554 -0.033 0.000 1.969 1409 T HA 0.401 4.749 4.350 -0.004 0.000 0.592 1409 T C -0.477 174.215 174.700 -0.013 0.000 0.903 1409 T CA 1.208 63.296 62.100 -0.021 0.000 3.149 1409 T CB -1.807 67.052 68.868 -0.015 0.000 1.870 1409 T HN 2.653 nan 8.240 nan 0.000 0.458 1410 A N 3.817 126.635 122.820 -0.004 0.000 2.540 1410 A HA 0.831 5.149 4.320 -0.004 0.000 0.297 1410 A C 0.674 178.270 177.584 0.020 0.000 1.056 1410 A CA 0.479 52.520 52.037 0.006 0.000 0.700 1410 A CB 1.331 20.339 19.000 0.012 0.000 1.280 1410 A HN 1.370 nan 8.150 nan 0.000 0.398 1411 T N -0.728 113.834 114.554 0.013 0.000 3.608 1411 T HA 0.524 4.872 4.350 -0.004 0.000 0.213 1411 T C -0.047 174.659 174.700 0.010 0.000 0.897 1411 T CA 1.217 63.325 62.100 0.014 0.000 1.533 1411 T CB -0.612 68.262 68.868 0.009 0.000 1.504 1411 T HN 1.123 nan 8.240 nan 0.000 0.446 1412 D N 0.747 121.149 120.400 0.004 0.000 10.770 1412 D HA 0.081 4.719 4.640 -0.004 0.000 0.340 1412 D C -0.374 175.922 176.300 -0.007 0.000 3.132 1412 D CA 1.015 55.015 54.000 -0.000 0.000 2.696 1412 D CB -0.540 40.261 40.800 0.003 0.000 1.209 1412 D HN 1.046 nan 8.370 nan 0.000 0.941 1413 K N -0.840 119.556 120.400 -0.007 0.000 2.929 1413 K HA -0.166 4.152 4.320 -0.004 0.000 0.841 1413 K C -1.363 175.233 176.600 -0.007 0.000 2.475 1413 K CA 0.442 56.723 56.287 -0.010 0.000 1.503 1413 K CB -0.270 32.218 32.500 -0.019 0.000 2.737 1413 K HN 0.544 nan 8.250 nan 0.000 0.174 1414 I N 2.322 122.887 120.570 -0.007 0.000 2.521 1414 I HA 0.362 4.530 4.170 -0.004 0.000 0.277 1414 I C 0.555 176.669 176.117 -0.006 0.000 1.054 1414 I CA -0.204 61.093 61.300 -0.005 0.000 1.117 1414 I CB 1.337 39.336 38.000 -0.003 0.000 1.217 1414 I HN 0.686 nan 8.210 nan 0.000 0.469 1415 G N 4.299 113.095 108.800 -0.006 0.000 3.209 1415 G HA2 0.633 4.590 3.960 -0.004 0.000 0.236 1415 G HA3 0.633 4.590 3.960 -0.004 0.000 0.236 1415 G C -0.531 174.367 174.900 -0.002 0.000 1.329 1415 G CA -0.570 44.526 45.100 -0.007 0.000 1.015 1415 G HN 0.478 nan 8.290 nan 0.000 0.571 1416 R N 0.168 120.667 120.500 -0.001 0.000 2.638 1416 R HA 0.465 4.802 4.340 -0.004 0.000 0.261 1416 R C -0.927 175.375 176.300 0.004 0.000 1.515 1416 R CA 0.058 56.159 56.100 0.002 0.000 1.623 1416 R CB 0.453 30.753 30.300 0.001 0.000 1.347 1416 R HN 0.867 nan 8.270 nan 0.000 0.705 1417 S N -1.361 114.343 115.700 0.007 0.000 2.683 1417 S HA 0.418 4.886 4.470 -0.004 0.000 0.278 1417 S C -1.403 173.211 174.600 0.023 0.000 1.059 1417 S CA -0.882 57.325 58.200 0.012 0.000 0.847 1417 S CB 1.816 65.022 63.200 0.008 0.000 1.078 1417 S HN -0.029 nan 8.310 nan 0.000 0.456 1418 V N 1.385 121.323 119.914 0.040 0.000 2.891 1418 V HA 0.671 4.789 4.120 -0.004 0.000 0.304 1418 V C -1.871 174.307 176.094 0.139 0.000 1.171 1418 V CA -1.139 61.211 62.300 0.082 0.000 0.943 1418 V CB 1.413 33.288 31.823 0.088 0.000 1.037 1418 V HN 1.045 nan 8.190 nan 0.000 0.427 1419 P HA 0.534 nan 4.420 nan 0.000 0.330 1419 P C -0.067 177.255 177.300 0.037 0.000 1.377 1419 P CA 0.583 63.777 63.100 0.157 0.000 0.793 1419 P CB 0.628 32.370 31.700 0.070 0.000 1.813 1420 A N -3.045 119.752 122.820 -0.038 0.000 1.875 1420 A HA 0.229 4.547 4.320 -0.004 0.000 0.233 1420 A C -2.610 174.881 177.584 -0.156 0.000 2.856 1420 A CA -0.789 51.205 52.037 -0.072 0.000 2.125 1420 A CB -2.310 16.663 19.000 -0.046 0.000 0.263 1420 A HN 0.319 nan 8.150 nan 0.000 0.948 1421 P HA -0.002 nan 4.420 nan 0.000 0.244 1421 P C 0.994 177.974 177.300 -0.535 0.000 1.080 1421 P CA 2.019 64.845 63.100 -0.457 0.000 0.794 1421 P CB 0.170 31.591 31.700 -0.464 0.000 0.689 1422 G N 3.558 112.078 108.800 -0.468 0.000 2.272 1422 G HA2 -0.051 3.907 3.960 -0.004 0.000 0.274 1422 G HA3 -0.051 3.907 3.960 -0.004 0.000 0.274 1422 G C 0.753 175.425 174.900 -0.380 0.000 1.136 1422 G CA -0.371 44.553 45.100 -0.294 0.000 1.098 1422 G HN 0.484 nan 8.290 nan 0.000 0.425 1423 K N 2.253 122.505 120.400 -0.248 0.000 2.046 1423 K HA 0.061 4.379 4.320 -0.004 0.000 0.197 1423 K C 2.429 179.003 176.600 -0.043 0.000 1.038 1423 K CA 0.866 57.058 56.287 -0.158 0.000 1.022 1423 K CB -0.489 31.955 32.500 -0.093 0.000 1.283 1423 K HN 0.355 nan 8.250 nan 0.000 0.496 1424 G N 0.948 109.740 108.800 -0.014 0.000 2.535 1424 G HA2 -0.086 3.872 3.960 -0.004 0.000 0.218 1424 G HA3 -0.086 3.872 3.960 -0.004 0.000 0.218 1424 G C 0.752 175.661 174.900 0.014 0.000 1.122 1424 G CA 0.170 45.279 45.100 0.016 0.000 0.769 1424 G HN 0.412 nan 8.290 nan 0.000 0.549 1425 I N 1.787 122.347 120.570 -0.016 0.000 3.166 1425 I HA 0.122 4.290 4.170 -0.004 0.000 0.322 1425 I C 0.683 176.809 176.117 0.014 0.000 0.920 1425 I CA 0.617 61.905 61.300 -0.020 0.000 1.906 1425 I CB -2.666 35.296 38.000 -0.063 0.000 1.255 1425 I HN 0.357 nan 8.210 nan 0.000 0.887 1426 L N -1.872 119.376 121.223 0.042 0.000 3.065 1426 L HA 0.011 4.349 4.340 -0.004 0.000 0.221 1426 L C 0.797 177.719 176.870 0.087 0.000 0.971 1426 L CA 0.185 55.063 54.840 0.064 0.000 1.083 1426 L CB -0.953 41.161 42.059 0.091 0.000 1.466 1426 L HN 0.130 nan 8.230 nan 0.000 0.392 1427 T N -4.865 109.728 114.554 0.065 0.000 11.558 1427 T HA -0.417 3.930 4.350 -0.004 0.000 0.419 1427 T C 1.223 175.954 174.700 0.052 0.000 1.442 1427 T CA 2.589 64.716 62.100 0.045 0.000 2.408 1427 T CB -2.537 66.362 68.868 0.051 0.000 2.890 1427 T HN 1.449 nan 8.240 nan 0.000 0.961 1428 T N 1.866 116.463 114.554 0.071 0.000 3.163 1428 T HA 0.510 4.858 4.350 -0.004 0.000 0.260 1428 T C 2.125 176.868 174.700 0.071 0.000 1.156 1428 T CA 0.995 63.136 62.100 0.068 0.000 1.072 1428 T CB -0.480 68.423 68.868 0.058 0.000 0.937 1428 T HN 0.866 nan 8.240 nan 0.000 0.528 1429 A N 1.566 124.420 122.820 0.057 0.000 1.930 1429 A HA 0.104 4.422 4.320 -0.004 0.000 0.215 1429 A C 1.612 179.218 177.584 0.037 0.000 1.176 1429 A CA 0.447 52.508 52.037 0.040 0.000 0.632 1429 A CB -0.130 18.876 19.000 0.011 0.000 0.819 1429 A HN 0.466 nan 8.150 nan 0.000 0.445 1430 R N -0.935 119.586 120.500 0.035 0.000 2.571 1430 R HA 0.163 4.501 4.340 -0.004 0.000 0.259 1430 R C 0.121 176.478 176.300 0.095 0.000 1.226 1430 R CA 0.332 56.455 56.100 0.039 0.000 1.157 1430 R CB 0.176 30.485 30.300 0.015 0.000 1.220 1430 R HN 0.172 nan 8.270 nan 0.000 0.605 1431 E N -0.017 120.243 120.200 0.100 0.000 2.971 1431 E HA -0.262 4.086 4.350 -0.004 0.000 0.278 1431 E C 0.153 176.886 176.600 0.223 0.000 1.009 1431 E CA 1.102 57.571 56.400 0.115 0.000 0.862 1431 E CB -1.495 28.255 29.700 0.083 0.000 1.436 1431 E HN 0.791 nan 8.360 nan 0.000 0.434 1432 H N 0.664 119.796 119.070 0.103 0.000 3.577 1432 H HA -0.078 4.476 4.556 -0.004 0.000 0.298 1432 H C 0.819 176.296 175.328 0.248 0.000 0.982 1432 H CA 2.664 58.788 56.048 0.126 0.000 0.971 1432 H CB -0.166 29.645 29.762 0.081 0.000 1.750 1432 H HN 0.547 nan 8.280 nan 0.000 1.079 1433 H N -1.189 117.895 119.070 0.024 0.000 4.198 1433 H HA -0.173 4.381 4.556 -0.004 0.000 0.264 1433 H C -0.099 175.171 175.328 -0.097 0.000 0.612 1433 H CA 0.694 56.694 56.048 -0.079 0.000 0.737 1433 H CB -0.544 29.157 29.762 -0.102 0.000 1.170 1433 H HN 0.482 nan 8.280 nan 0.000 0.303 1434 S N 1.014 116.555 115.700 -0.265 0.000 2.677 1434 S HA 0.690 5.158 4.470 -0.004 0.000 0.290 1434 S C 0.264 174.814 174.600 -0.083 0.000 1.124 1434 S CA 0.405 58.534 58.200 -0.119 0.000 1.017 1434 S CB 1.589 64.678 63.200 -0.184 0.000 1.215 1434 S HN 0.635 nan 8.310 nan 0.000 0.524 1435 S N -0.109 115.537 115.700 -0.089 0.000 2.946 1435 S HA 0.115 4.583 4.470 -0.004 0.000 0.194 1435 S C -1.319 173.240 174.600 -0.068 0.000 0.773 1435 S CA -0.445 57.665 58.200 -0.151 0.000 1.082 1435 S CB 0.167 63.304 63.200 -0.105 0.000 1.393 1435 S HN 0.545 nan 8.310 nan 0.000 0.551 1436 V N 3.686 123.574 119.914 -0.043 0.000 2.393 1436 V HA 0.218 4.336 4.120 -0.004 0.000 0.257 1436 V C 0.730 176.856 176.094 0.054 0.000 1.040 1436 V CA -0.118 62.186 62.300 0.008 0.000 1.097 1436 V CB -0.325 31.497 31.823 -0.002 0.000 1.101 1436 V HN 0.575 nan 8.190 nan 0.000 0.479 1437 K N 4.640 125.101 120.400 0.101 0.000 4.532 1437 K HA -0.262 4.056 4.320 -0.004 0.000 0.567 1437 K C 0.081 176.842 176.600 0.267 0.000 1.961 1437 K CA 1.812 58.203 56.287 0.173 0.000 1.415 1437 K CB -0.079 32.479 32.500 0.097 0.000 1.738 1437 K HN 0.988 nan 8.250 nan 0.000 0.295 1438 Y N 1.293 121.593 120.300 0.001 0.000 2.855 1438 Y HA 0.314 4.862 4.550 -0.004 0.000 0.251 1438 Y C 1.300 177.201 175.900 0.000 0.000 1.152 1438 Y CA 1.030 59.129 58.100 -0.002 0.000 1.201 1438 Y CB -0.724 37.732 38.460 -0.007 0.000 1.392 1438 Y HN 0.862 nan 8.280 nan 0.000 0.470 1439 A N 1.045 123.310 122.820 -0.926 0.000 1.345 1439 A HA -0.280 4.038 4.320 -0.004 0.000 0.222 1439 A C 0.787 177.969 177.584 -0.671 0.000 0.343 1439 A CA 2.188 53.798 52.037 -0.711 0.000 1.095 1439 A CB -2.320 16.517 19.000 -0.272 0.000 1.469 1439 A HN 0.850 nan 8.150 nan 0.000 0.722 1440 S N 1.204 116.677 115.700 -0.377 0.000 2.659 1440 S HA 0.684 5.152 4.470 -0.004 0.000 0.312 1440 S C -1.593 172.967 174.600 -0.067 0.000 1.114 1440 S CA -0.199 57.886 58.200 -0.192 0.000 1.063 1440 S CB 2.670 65.808 63.200 -0.103 0.000 0.996 1440 S HN 0.824 nan 8.310 nan 0.000 0.478 1441 P HA 0.570 nan 4.420 nan 0.000 0.300 1441 P C -1.345 175.995 177.300 0.067 0.000 1.234 1441 P CA -0.399 62.762 63.100 0.102 0.000 0.763 1441 P CB 0.685 32.536 31.700 0.252 0.000 1.921 1442 N N -1.568 117.168 118.700 0.061 0.000 4.268 1442 N HA -0.089 4.649 4.740 -0.004 0.000 0.332 1442 N C -0.678 174.831 175.510 -0.002 0.000 2.196 1442 N CA 0.479 53.547 53.050 0.029 0.000 2.816 1442 N CB -1.051 37.468 38.487 0.052 0.000 0.347 1442 N HN 0.601 nan 8.380 nan 0.000 0.618 1443 L N 1.686 122.858 121.223 -0.084 0.000 4.639 1443 L HA 0.174 4.512 4.340 -0.004 0.000 0.462 1443 L C 1.072 177.699 176.870 -0.405 0.000 1.019 1443 L CA -0.064 54.646 54.840 -0.217 0.000 1.733 1443 L CB -0.104 41.846 42.059 -0.182 0.000 1.673 1443 L HN 0.521 nan 8.230 nan 0.000 0.613 1444 N N 0.374 118.888 118.700 -0.310 0.000 2.131 1444 N HA -0.044 4.693 4.740 -0.004 0.000 0.190 1444 N C 0.427 175.798 175.510 -0.231 0.000 1.055 1444 N CA 0.276 53.073 53.050 -0.421 0.000 0.853 1444 N CB -0.115 38.253 38.487 -0.198 0.000 1.035 1444 N HN 0.016 nan 8.380 nan 0.000 0.440 1445 M N 2.832 122.413 119.600 -0.033 0.000 2.472 1445 M HA -0.127 4.350 4.480 -0.004 0.000 0.497 1445 M C -0.464 175.948 176.300 0.186 0.000 1.560 1445 M CA 0.109 55.456 55.300 0.079 0.000 0.894 1445 M CB -0.231 32.426 32.600 0.095 0.000 1.983 1445 M HN 0.033 nan 8.290 nan 0.000 0.521 1446 K N 3.952 124.463 120.400 0.184 0.000 3.048 1446 K HA -0.259 4.059 4.320 -0.004 0.000 0.228 1446 K C 0.461 177.226 176.600 0.274 0.000 1.047 1446 K CA 0.568 57.006 56.287 0.252 0.000 1.305 1446 K CB -1.016 31.578 32.500 0.156 0.000 1.359 1446 K HN 0.625 nan 8.250 nan 0.000 0.392 1447 Y N 1.768 122.188 120.300 0.200 0.000 2.387 1447 Y HA -0.277 4.271 4.550 -0.004 0.000 0.234 1447 Y C 2.214 178.142 175.900 0.046 0.000 1.007 1447 Y CA 2.145 60.317 58.100 0.120 0.000 1.012 1447 Y CB 0.020 38.611 38.460 0.219 0.000 1.017 1447 Y HN 0.559 nan 8.280 nan 0.000 0.486 1448 R N -0.354 120.308 120.500 0.270 0.000 4.002 1448 R HA -0.301 4.037 4.340 -0.004 0.000 0.443 1448 R C 1.454 177.683 176.300 -0.118 0.000 0.770 1448 R CA 2.110 58.235 56.100 0.042 0.000 1.648 1448 R CB -1.656 28.685 30.300 0.069 0.000 2.287 1448 R HN 0.546 nan 8.270 nan 0.000 0.454 1449 K N 0.253 120.558 120.400 -0.159 0.000 1.971 1449 K HA -0.067 4.251 4.320 -0.004 0.000 0.221 1449 K C 1.860 178.275 176.600 -0.309 0.000 1.050 1449 K CA 1.718 57.854 56.287 -0.251 0.000 0.967 1449 K CB -0.290 31.977 32.500 -0.388 0.000 0.733 1449 K HN 0.146 nan 8.250 nan 0.000 0.445 1450 R N 1.210 121.473 120.500 -0.395 0.000 2.226 1450 R HA -0.211 4.127 4.340 -0.004 0.000 0.246 1450 R C 2.315 178.113 176.300 -0.837 0.000 1.161 1450 R CA 1.742 57.503 56.100 -0.565 0.000 0.997 1450 R CB -0.394 29.550 30.300 -0.592 0.000 0.870 1450 R HN 0.455 nan 8.270 nan 0.000 0.465 1451 Q N 0.663 120.038 119.800 -0.708 0.000 1.941 1451 Q HA -0.076 4.262 4.340 -0.004 0.000 0.201 1451 Q C 2.061 177.930 176.000 -0.218 0.000 0.982 1451 Q CA 1.472 57.026 55.803 -0.416 0.000 0.839 1451 Q CB -0.769 27.869 28.738 -0.167 0.000 0.904 1451 Q HN 0.315 nan 8.270 nan 0.000 0.427 1452 L N 0.223 121.348 121.223 -0.164 0.000 2.127 1452 L HA -0.148 4.189 4.340 -0.004 0.000 0.211 1452 L C 1.946 178.750 176.870 -0.110 0.000 1.089 1452 L CA 0.825 55.600 54.840 -0.108 0.000 0.757 1452 L CB -0.197 41.809 42.059 -0.089 0.000 0.899 1452 L HN 0.229 nan 8.230 nan 0.000 0.434 1453 V N -1.268 118.554 119.914 -0.154 0.000 2.277 1453 V HA -0.283 3.835 4.120 -0.004 0.000 0.203 1453 V C 2.158 178.198 176.094 -0.090 0.000 0.984 1453 V CA 1.786 64.014 62.300 -0.121 0.000 1.076 1453 V CB -0.790 30.948 31.823 -0.143 0.000 0.681 1453 V HN 0.487 nan 8.190 nan 0.000 0.468 1454 T N 0.067 114.562 114.554 -0.098 0.000 1.924 1454 T HA -0.297 4.051 4.350 -0.004 0.000 0.152 1454 T C 1.000 175.712 174.700 0.020 0.000 1.902 1454 T CA 2.083 64.181 62.100 -0.004 0.000 1.015 1454 T CB -0.266 68.638 68.868 0.061 0.000 0.843 1454 T HN 0.352 nan 8.240 nan 0.000 0.389 1455 R N 0.932 121.457 120.500 0.041 0.000 2.726 1455 R HA 0.320 4.658 4.340 -0.004 0.000 0.272 1455 R C 1.407 177.696 176.300 -0.018 0.000 1.097 1455 R CA 0.548 56.663 56.100 0.025 0.000 1.198 1455 R CB 0.052 30.381 30.300 0.049 0.000 1.114 1455 R HN 0.668 nan 8.270 nan 0.000 0.550 1456 E N -1.972 118.207 120.200 -0.034 0.000 4.484 1456 E HA -0.278 4.070 4.350 -0.004 0.000 0.162 1456 E C 0.775 177.355 176.600 -0.034 0.000 0.911 1456 E CA 1.712 58.087 56.400 -0.043 0.000 2.591 1456 E CB -1.621 28.050 29.700 -0.047 0.000 1.589 1456 E HN 0.549 nan 8.360 nan 0.000 0.602 1457 A N 1.400 124.207 122.820 -0.021 0.000 3.051 1457 A HA -0.018 4.300 4.320 -0.004 0.000 0.187 1457 A C 1.828 179.423 177.584 0.019 0.000 1.690 1457 A CA 1.426 53.461 52.037 -0.002 0.000 0.677 1457 A CB -0.786 18.215 19.000 0.003 0.000 1.164 1457 A HN 0.255 nan 8.150 nan 0.000 0.473 1458 Q N -0.697 119.135 119.800 0.054 0.000 2.268 1458 Q HA -0.281 4.057 4.340 -0.004 0.000 0.213 1458 Q C 1.924 177.965 176.000 0.068 0.000 0.995 1458 Q CA 2.149 58.019 55.803 0.112 0.000 0.901 1458 Q CB -0.725 28.113 28.738 0.166 0.000 0.921 1458 Q HN 0.804 nan 8.270 nan 0.000 0.421 1459 I N -1.535 119.008 120.570 -0.045 0.000 2.162 1459 I HA -0.182 3.986 4.170 -0.004 0.000 0.238 1459 I C 1.850 177.863 176.117 -0.173 0.000 1.076 1459 I CA 1.442 62.616 61.300 -0.210 0.000 1.353 1459 I CB -0.414 37.471 38.000 -0.191 0.000 1.063 1459 I HN -0.170 nan 8.210 nan 0.000 0.408 1460 K N 0.734 121.079 120.400 -0.092 0.000 2.218 1460 K HA -0.183 4.135 4.320 -0.004 0.000 0.205 1460 K C 1.298 177.881 176.600 -0.028 0.000 1.046 1460 K CA 2.070 58.317 56.287 -0.067 0.000 0.933 1460 K CB -0.422 32.052 32.500 -0.043 0.000 0.728 1460 K HN 0.568 nan 8.250 nan 0.000 0.454 1461 D N -0.077 120.331 120.400 0.012 0.000 2.188 1461 D HA -0.107 4.531 4.640 -0.004 0.000 0.239 1461 D C 0.224 176.622 176.300 0.163 0.000 1.059 1461 D CA 0.137 54.183 54.000 0.077 0.000 0.931 1461 D CB -0.464 40.394 40.800 0.096 0.000 1.011 1461 D HN 0.294 nan 8.370 nan 0.000 0.424 1462 W N 1.809 123.116 121.300 0.012 0.000 2.873 1462 W HA 0.124 4.782 4.660 -0.004 0.000 0.393 1462 W C -0.564 175.965 176.519 0.016 0.000 1.283 1462 W CA -0.471 56.883 57.345 0.015 0.000 1.348 1462 W CB 0.159 29.630 29.460 0.019 0.000 1.475 1462 W HN -0.100 nan 8.180 nan 0.000 0.572 1463 V N 3.354 123.532 119.914 0.440 0.000 6.331 1463 V HA -0.218 3.900 4.120 -0.004 0.000 0.086 1463 V C 1.824 178.043 176.094 0.209 0.000 1.014 1463 V CA 0.727 63.070 62.300 0.072 0.000 0.611 1463 V CB -0.396 31.359 31.823 -0.112 0.000 0.828 1463 V HN 0.517 nan 8.190 nan 0.000 0.727 1464 E N 1.380 121.657 120.200 0.128 0.000 2.086 1464 E HA -0.343 4.005 4.350 -0.004 0.000 0.200 1464 E C 1.649 178.338 176.600 0.148 0.000 1.012 1464 E CA 2.057 58.518 56.400 0.101 0.000 0.812 1464 E CB -0.313 29.430 29.700 0.070 0.000 0.743 1464 E HN 0.677 nan 8.360 nan 0.000 0.453 1465 N N 1.130 119.954 118.700 0.208 0.000 2.049 1465 N HA -0.298 4.440 4.740 -0.004 0.000 0.198 1465 N C 1.762 177.369 175.510 0.162 0.000 1.030 1465 N CA 2.169 55.326 53.050 0.179 0.000 0.870 1465 N CB -0.122 38.495 38.487 0.218 0.000 1.045 1465 N HN 0.147 nan 8.380 nan 0.000 0.434 1466 E N 0.043 120.430 120.200 0.311 0.000 2.006 1466 E HA -0.077 4.271 4.350 -0.004 0.000 0.192 1466 E C 2.104 178.802 176.600 0.164 0.000 0.993 1466 E CA 1.226 57.778 56.400 0.252 0.000 0.808 1466 E CB -0.690 29.345 29.700 0.558 0.000 0.764 1466 E HN 0.447 nan 8.360 nan 0.000 0.449 1467 L N 0.976 122.294 121.223 0.159 0.000 2.125 1467 L HA -0.405 3.933 4.340 -0.004 0.000 0.234 1467 L C 2.766 179.683 176.870 0.080 0.000 1.110 1467 L CA 2.529 57.426 54.840 0.094 0.000 0.832 1467 L CB -0.790 41.309 42.059 0.068 0.000 0.922 1467 L HN 0.447 nan 8.230 nan 0.000 0.449 1468 E N -0.103 120.141 120.200 0.074 0.000 2.017 1468 E HA -0.276 4.072 4.350 -0.004 0.000 0.193 1468 E C 2.145 178.778 176.600 0.054 0.000 0.997 1468 E CA 1.248 57.681 56.400 0.055 0.000 0.804 1468 E CB -0.195 29.533 29.700 0.047 0.000 0.757 1468 E HN 0.465 nan 8.360 nan 0.000 0.448 1469 A N 1.494 124.344 122.820 0.051 0.000 2.054 1469 A HA -0.211 4.107 4.320 -0.004 0.000 0.223 1469 A C 2.229 179.852 177.584 0.065 0.000 1.169 1469 A CA 1.622 53.682 52.037 0.038 0.000 0.655 1469 A CB -0.766 18.241 19.000 0.012 0.000 0.812 1469 A HN 0.501 nan 8.150 nan 0.000 0.462 1470 L N -1.391 119.888 121.223 0.093 0.000 2.102 1470 L HA -0.051 4.287 4.340 -0.004 0.000 0.202 1470 L C 2.448 179.396 176.870 0.130 0.000 1.076 1470 L CA 1.543 56.472 54.840 0.148 0.000 0.761 1470 L CB -0.289 41.864 42.059 0.157 0.000 0.921 1470 L HN 0.219 nan 8.230 nan 0.000 0.444 1471 K N 0.508 120.962 120.400 0.090 0.000 2.160 1471 K HA -0.224 4.094 4.320 -0.004 0.000 0.206 1471 K C 2.084 178.704 176.600 0.034 0.000 1.047 1471 K CA 1.357 57.679 56.287 0.059 0.000 0.930 1471 K CB -0.756 31.770 32.500 0.043 0.000 0.720 1471 K HN 0.343 nan 8.250 nan 0.000 0.450 1472 L N 1.442 122.687 121.223 0.036 0.000 2.034 1472 L HA -0.224 4.114 4.340 -0.004 0.000 0.217 1472 L C 1.288 178.156 176.870 -0.002 0.000 1.077 1472 L CA 2.152 57.001 54.840 0.016 0.000 0.769 1472 L CB -0.550 41.520 42.059 0.019 0.000 0.890 1472 L HN 0.303 nan 8.230 nan 0.000 0.435 1473 E N -1.145 119.054 120.200 -0.001 0.000 2.476 1473 E HA 0.136 4.484 4.350 -0.004 0.000 0.199 1473 E C 1.597 178.129 176.600 -0.114 0.000 1.021 1473 E CA 0.350 56.709 56.400 -0.069 0.000 0.907 1473 E CB 0.350 29.995 29.700 -0.091 0.000 0.974 1473 E HN 0.558 nan 8.360 nan 0.000 0.489 1474 A N 2.417 125.220 122.820 -0.028 0.000 2.904 1474 A HA -0.383 3.935 4.320 -0.004 0.000 0.371 1474 A C 1.673 179.196 177.584 -0.102 0.000 1.216 1474 A CA 2.091 54.123 52.037 -0.009 0.000 1.329 1474 A CB -0.793 18.209 19.000 0.002 0.000 0.722 1474 A HN 0.243 nan 8.150 nan 0.000 0.457 1475 E N -0.425 119.728 120.200 -0.078 0.000 1.987 1475 E HA 0.040 4.387 4.350 -0.004 0.000 0.198 1475 E C 0.785 177.286 176.600 -0.166 0.000 0.968 1475 E CA 1.075 57.412 56.400 -0.105 0.000 0.867 1475 E CB -0.621 29.044 29.700 -0.057 0.000 0.819 1475 E HN 0.745 nan 8.360 nan 0.000 0.516 1476 E N 0.113 120.245 120.200 -0.114 0.000 2.560 1476 E HA -0.233 4.115 4.350 -0.004 0.000 0.158 1476 E C 0.588 177.101 176.600 -0.145 0.000 1.709 1476 E CA 0.938 57.268 56.400 -0.117 0.000 0.653 1476 E CB -2.096 27.530 29.700 -0.124 0.000 1.090 1476 E HN 0.560 nan 8.360 nan 0.000 0.355 1477 I N -2.264 118.243 120.570 -0.104 0.000 2.663 1477 I HA -0.204 3.964 4.170 -0.004 0.000 0.264 1477 I C -1.415 174.654 176.117 -0.080 0.000 0.445 1477 I CA 0.592 61.838 61.300 -0.089 0.000 0.725 1477 I CB -2.520 35.422 38.000 -0.096 0.000 4.108 1477 I HN 0.451 nan 8.210 nan 0.000 1.109 1478 P HA 0.465 nan 4.420 nan 0.000 0.325 1478 P C 0.689 177.967 177.300 -0.036 0.000 1.382 1478 P CA 1.648 64.711 63.100 -0.062 0.000 0.863 1478 P CB 0.966 32.619 31.700 -0.078 0.000 2.140 1479 S N -2.841 112.847 115.700 -0.020 0.000 1.235 1479 S HA -0.097 4.371 4.470 -0.004 0.000 0.253 1479 S C 1.281 175.884 174.600 0.005 0.000 0.633 1479 S CA 0.283 58.477 58.200 -0.009 0.000 0.973 1479 S CB -1.830 61.363 63.200 -0.010 0.000 0.934 1479 S HN 0.413 nan 8.310 nan 0.000 0.485 1480 E N 1.360 121.565 120.200 0.009 0.000 2.290 1480 E HA 0.184 4.532 4.350 -0.004 0.000 0.197 1480 E C 0.271 176.891 176.600 0.033 0.000 0.948 1480 E CA 0.676 57.087 56.400 0.018 0.000 0.895 1480 E CB -0.111 29.598 29.700 0.015 0.000 0.865 1480 E HN 0.618 nan 8.360 nan 0.000 0.486 1481 D N 1.292 121.714 120.400 0.037 0.000 2.363 1481 D HA -0.090 4.548 4.640 -0.004 0.000 0.226 1481 D C 1.592 177.960 176.300 0.113 0.000 1.020 1481 D CA 0.282 54.326 54.000 0.075 0.000 0.892 1481 D CB 0.129 40.971 40.800 0.070 0.000 0.900 1481 D HN 0.109 nan 8.370 nan 0.000 0.531 1482 Q N 0.563 120.407 119.800 0.073 0.000 1.948 1482 Q HA -0.240 4.098 4.340 -0.004 0.000 0.205 1482 Q C 1.843 177.904 176.000 0.101 0.000 0.992 1482 Q CA 1.299 57.154 55.803 0.088 0.000 0.849 1482 Q CB 0.039 28.805 28.738 0.047 0.000 0.918 1482 Q HN 0.171 nan 8.270 nan 0.000 0.421 1483 N N 0.324 119.060 118.700 0.060 0.000 2.036 1483 N HA -0.241 4.497 4.740 -0.004 0.000 0.195 1483 N C 1.679 177.212 175.510 0.038 0.000 1.037 1483 N CA 1.696 54.769 53.050 0.039 0.000 0.855 1483 N CB -0.346 38.156 38.487 0.024 0.000 1.033 1483 N HN 0.406 nan 8.380 nan 0.000 0.423 1484 E N -0.067 120.166 120.200 0.056 0.000 2.000 1484 E HA -0.222 4.126 4.350 -0.004 0.000 0.199 1484 E C 2.052 178.681 176.600 0.048 0.000 1.011 1484 E CA 1.163 57.592 56.400 0.049 0.000 0.836 1484 E CB -0.478 29.266 29.700 0.073 0.000 0.778 1484 E HN 0.282 nan 8.360 nan 0.000 0.462 1485 F N 1.271 121.217 119.950 -0.006 0.000 2.091 1485 F HA -0.262 4.263 4.527 -0.004 0.000 0.299 1485 F C 2.254 178.046 175.800 -0.013 0.000 1.103 1485 F CA 1.373 59.370 58.000 -0.005 0.000 1.228 1485 F CB -0.252 38.748 39.000 0.001 0.000 0.984 1485 F HN 0.162 nan 8.300 nan 0.000 0.477 1486 L N 0.513 121.851 121.223 0.192 0.000 1.970 1486 L HA -0.239 4.098 4.340 -0.004 0.000 0.212 1486 L C 2.385 179.204 176.870 -0.085 0.000 1.071 1486 L CA 2.002 56.896 54.840 0.090 0.000 0.751 1486 L CB -1.303 40.823 42.059 0.112 0.000 0.889 1486 L HN 0.294 nan 8.230 nan 0.000 0.432 1487 L N -0.483 120.692 121.223 -0.080 0.000 2.187 1487 L HA -0.234 4.104 4.340 -0.004 0.000 0.213 1487 L C 2.389 179.120 176.870 -0.231 0.000 1.100 1487 L CA 0.817 55.578 54.840 -0.130 0.000 0.765 1487 L CB -0.299 41.699 42.059 -0.102 0.000 0.904 1487 L HN 0.338 nan 8.230 nan 0.000 0.437 1488 E N 0.762 120.800 120.200 -0.270 0.000 1.996 1488 E HA -0.203 4.145 4.350 -0.004 0.000 0.197 1488 E C 2.255 178.668 176.600 -0.311 0.000 1.002 1488 E CA 1.506 57.713 56.400 -0.322 0.000 0.840 1488 E CB -0.051 29.466 29.700 -0.306 0.000 0.786 1488 E HN 0.162 nan 8.360 nan 0.000 0.469 1489 R N -0.352 119.936 120.500 -0.354 0.000 2.091 1489 R HA -0.143 4.195 4.340 -0.004 0.000 0.238 1489 R C 2.581 178.803 176.300 -0.130 0.000 1.136 1489 R CA 1.565 57.530 56.100 -0.225 0.000 0.959 1489 R CB -0.952 29.188 30.300 -0.267 0.000 0.856 1489 R HN 0.319 nan 8.270 nan 0.000 0.437 1490 T N 0.145 114.614 114.554 -0.141 0.000 2.718 1490 T HA -0.270 4.078 4.350 -0.004 0.000 0.266 1490 T C 1.797 176.476 174.700 -0.036 0.000 1.033 1490 T CA 2.051 64.107 62.100 -0.073 0.000 1.151 1490 T CB -0.063 68.757 68.868 -0.080 0.000 0.853 1490 T HN 0.346 nan 8.240 nan 0.000 0.466 1491 R N -0.477 119.980 120.500 -0.071 0.000 2.257 1491 R HA 0.229 4.567 4.340 -0.004 0.000 0.195 1491 R C 2.156 178.474 176.300 0.029 0.000 0.921 1491 R CA 0.500 56.611 56.100 0.018 0.000 1.069 1491 R CB -0.030 30.237 30.300 -0.055 0.000 1.115 1491 R HN 0.385 nan 8.270 nan 0.000 0.571 1492 E N 1.456 121.636 120.200 -0.033 0.000 2.510 1492 E HA -0.116 4.231 4.350 -0.004 0.000 0.202 1492 E C 1.497 178.139 176.600 0.071 0.000 1.072 1492 E CA 0.893 57.335 56.400 0.071 0.000 0.883 1492 E CB 0.037 29.786 29.700 0.082 0.000 0.818 1492 E HN 0.625 nan 8.360 nan 0.000 0.548 1493 I N -4.242 116.372 120.570 0.073 0.000 3.718 1493 I HA 0.025 4.193 4.170 -0.004 0.000 0.297 1493 I C 2.407 178.600 176.117 0.127 0.000 1.220 1493 I CA 0.002 61.370 61.300 0.113 0.000 1.381 1493 I CB -0.708 37.364 38.000 0.120 0.000 1.238 1493 I HN 0.048 nan 8.210 nan 0.000 0.448 1494 H N 2.340 121.406 119.070 -0.007 0.000 2.357 1494 H HA -0.212 4.341 4.556 -0.004 0.000 0.296 1494 H C 1.867 177.181 175.328 -0.023 0.000 1.108 1494 H CA 2.190 58.221 56.048 -0.028 0.000 1.273 1494 H CB 0.116 29.858 29.762 -0.032 0.000 1.367 1494 H HN 0.376 nan 8.280 nan 0.000 0.498 1495 N N 0.513 119.197 118.700 -0.026 0.000 2.058 1495 N HA -0.159 4.578 4.740 -0.004 0.000 0.191 1495 N C 1.908 177.407 175.510 -0.017 0.000 1.037 1495 N CA 1.354 54.349 53.050 -0.092 0.000 0.848 1495 N CB -0.386 38.081 38.487 -0.034 0.000 1.021 1495 N HN 0.411 nan 8.380 nan 0.000 0.422 1496 E N 1.034 121.258 120.200 0.040 0.000 2.136 1496 E HA -0.209 4.139 4.350 -0.004 0.000 0.208 1496 E C 1.720 178.310 176.600 -0.018 0.000 1.035 1496 E CA 1.602 58.043 56.400 0.068 0.000 0.838 1496 E CB -0.487 29.317 29.700 0.172 0.000 0.748 1496 E HN 0.399 nan 8.360 nan 0.000 0.459 1497 A N 0.448 123.232 122.820 -0.060 0.000 1.830 1497 A HA -0.289 4.029 4.320 -0.004 0.000 0.214 1497 A C 2.134 179.662 177.584 -0.092 0.000 1.218 1497 A CA 1.868 53.816 52.037 -0.147 0.000 0.628 1497 A CB -1.162 17.796 19.000 -0.071 0.000 0.860 1497 A HN 0.379 nan 8.150 nan 0.000 0.454 1498 E N -0.501 119.681 120.200 -0.029 0.000 2.245 1498 E HA -0.312 4.035 4.350 -0.004 0.000 0.217 1498 E C 2.133 178.703 176.600 -0.049 0.000 1.069 1498 E CA 1.918 58.295 56.400 -0.038 0.000 0.877 1498 E CB -0.284 29.376 29.700 -0.067 0.000 0.757 1498 E HN 0.541 nan 8.360 nan 0.000 0.464 1499 S N -0.365 115.307 115.700 -0.046 0.000 2.378 1499 S HA -0.272 4.196 4.470 -0.004 0.000 0.221 1499 S C 1.993 176.576 174.600 -0.028 0.000 1.037 1499 S CA 1.687 59.869 58.200 -0.029 0.000 1.069 1499 S CB -0.353 62.842 63.200 -0.008 0.000 1.006 1499 S HN 0.374 nan 8.310 nan 0.000 0.423 1500 Q N 0.378 120.154 119.800 -0.040 0.000 2.173 1500 Q HA -0.174 4.164 4.340 -0.004 0.000 0.208 1500 Q C 2.239 178.213 176.000 -0.044 0.000 0.989 1500 Q CA 1.602 57.380 55.803 -0.042 0.000 0.872 1500 Q CB -0.544 28.125 28.738 -0.116 0.000 0.909 1500 Q HN 0.621 nan 8.270 nan 0.000 0.420 1501 L N 0.215 121.400 121.223 -0.064 0.000 1.976 1501 L HA -0.246 4.092 4.340 -0.004 0.000 0.209 1501 L C 2.636 179.493 176.870 -0.020 0.000 1.071 1501 L CA 1.363 56.175 54.840 -0.047 0.000 0.746 1501 L CB -0.206 41.821 42.059 -0.053 0.000 0.890 1501 L HN 0.184 nan 8.230 nan 0.000 0.432 1502 R N 0.040 120.525 120.500 -0.023 0.000 2.082 1502 R HA -0.158 4.179 4.340 -0.004 0.000 0.234 1502 R C 2.228 178.522 176.300 -0.010 0.000 1.136 1502 R CA 1.499 57.587 56.100 -0.019 0.000 0.935 1502 R CB -1.282 29.002 30.300 -0.027 0.000 0.842 1502 R HN 0.532 nan 8.270 nan 0.000 0.430 1503 A N 1.344 124.159 122.820 -0.009 0.000 1.985 1503 A HA -0.283 4.035 4.320 -0.004 0.000 0.223 1503 A C 2.372 179.965 177.584 0.015 0.000 1.189 1503 A CA 2.517 54.551 52.037 -0.005 0.000 0.658 1503 A CB -0.709 18.294 19.000 0.005 0.000 0.820 1503 A HN 0.467 nan 8.150 nan 0.000 0.464 1504 A N -1.270 121.576 122.820 0.044 0.000 1.825 1504 A HA -0.176 4.142 4.320 -0.004 0.000 0.214 1504 A C 2.007 179.656 177.584 0.109 0.000 1.206 1504 A CA 1.521 53.628 52.037 0.117 0.000 0.609 1504 A CB -0.850 18.210 19.000 0.100 0.000 0.851 1504 A HN 0.602 nan 8.150 nan 0.000 0.445 1505 Q N -0.662 119.170 119.800 0.054 0.000 2.224 1505 Q HA -0.352 3.986 4.340 -0.004 0.000 0.213 1505 Q C 2.284 178.281 176.000 -0.005 0.000 0.998 1505 Q CA 2.129 57.947 55.803 0.024 0.000 0.895 1505 Q CB -0.336 28.397 28.738 -0.008 0.000 0.926 1505 Q HN 0.766 nan 8.270 nan 0.000 0.417 1506 Q N 0.707 120.493 119.800 -0.024 0.000 1.948 1506 Q HA -0.153 4.185 4.340 -0.004 0.000 0.205 1506 Q C 0.648 176.568 176.000 -0.132 0.000 0.992 1506 Q CA 1.074 56.833 55.803 -0.075 0.000 0.849 1506 Q CB 0.031 28.724 28.738 -0.075 0.000 0.918 1506 Q HN 0.372 nan 8.270 nan 0.000 0.421 1507 Q N -0.593 119.120 119.800 -0.146 0.000 2.392 1507 Q HA -0.086 4.252 4.340 -0.004 0.000 0.262 1507 Q C -1.278 174.614 176.000 -0.179 0.000 1.003 1507 Q CA -0.084 55.510 55.803 -0.347 0.000 0.888 1507 Q CB 0.435 28.815 28.738 -0.596 0.000 1.260 1507 Q HN 0.213 nan 8.270 nan 0.000 0.435 1508 W N 2.228 123.367 121.300 -0.269 0.000 3.103 1508 W HA -0.216 4.442 4.660 -0.004 0.000 0.449 1508 W C 0.681 176.725 176.519 -0.792 0.000 1.840 1508 W CA 0.988 57.990 57.345 -0.571 0.000 0.465 1508 W CB -1.977 27.397 29.460 -0.144 0.000 2.860 1508 W HN 1.080 nan 8.180 nan 0.000 0.428 1509 G N 0.435 108.447 108.800 -1.314 0.000 3.211 1509 G HA2 -0.359 3.599 3.960 -0.004 0.000 0.206 1509 G HA3 -0.359 3.599 3.960 -0.004 0.000 0.206 1509 G C 1.015 175.761 174.900 -0.258 0.000 1.418 1509 G CA 0.492 45.248 45.100 -0.574 0.000 0.958 1509 G HN 0.409 nan 8.290 nan 0.000 0.567 1510 N N 1.342 119.917 118.700 -0.208 0.000 2.178 1510 N HA 0.087 4.825 4.740 -0.004 0.000 0.189 1510 N C 0.475 175.865 175.510 -0.199 0.000 1.048 1510 N CA 1.431 54.412 53.050 -0.115 0.000 0.855 1510 N CB -0.153 38.271 38.487 -0.105 0.000 1.028 1510 N HN 0.438 nan 8.380 nan 0.000 0.441 1511 D N 0.471 120.701 120.400 -0.285 0.000 2.895 1511 D HA 0.104 4.742 4.640 -0.004 0.000 0.258 1511 D C 0.829 176.925 176.300 -0.339 0.000 1.311 1511 D CA -0.355 53.397 54.000 -0.413 0.000 0.843 1511 D CB -0.120 40.484 40.800 -0.326 0.000 1.055 1511 D HN -0.028 nan 8.370 nan 0.000 0.486 1512 F N 1.730 121.537 119.950 -0.237 0.000 2.067 1512 F HA -0.350 4.175 4.527 -0.004 0.000 0.295 1512 F C 1.981 177.709 175.800 -0.120 0.000 1.142 1512 F CA 1.629 59.577 58.000 -0.088 0.000 1.230 1512 F CB -1.218 37.900 39.000 0.197 0.000 0.941 1512 F HN 0.191 nan 8.300 nan 0.000 0.518 1513 Y N -1.354 119.036 120.300 0.151 0.000 2.975 1513 Y HA 0.083 4.630 4.550 -0.004 0.000 0.205 1513 Y C 2.300 178.194 175.900 -0.010 0.000 0.883 1513 Y CA -0.027 58.090 58.100 0.028 0.000 0.893 1513 Y CB -1.493 36.983 38.460 0.027 0.000 1.068 1513 Y HN 0.204 nan 8.280 nan 0.000 0.521 1514 K N -1.220 119.151 120.400 -0.049 0.000 10.798 1514 K HA -0.349 3.969 4.320 -0.004 0.000 0.503 1514 K C 1.547 178.167 176.600 0.033 0.000 0.503 1514 K CA 1.677 57.914 56.287 -0.083 0.000 1.825 1514 K CB -1.473 30.902 32.500 -0.208 0.000 0.782 1514 K HN 0.559 nan 8.250 nan 0.000 1.210 1515 R N 1.024 121.517 120.500 -0.012 0.000 1.240 1515 R HA 0.006 4.344 4.340 -0.004 0.000 0.091 1515 R C -0.035 176.281 176.300 0.027 0.000 0.586 1515 R CA 0.744 56.846 56.100 0.004 0.000 1.956 1515 R CB -0.595 29.689 30.300 -0.026 0.000 0.524 1515 R HN 0.640 nan 8.270 nan 0.000 0.749 1516 D N 1.216 121.616 120.400 -0.000 0.000 3.164 1516 D HA -0.079 4.559 4.640 -0.004 0.000 0.200 1516 D C -1.621 174.660 176.300 -0.032 0.000 1.222 1516 D CA -0.140 53.852 54.000 -0.014 0.000 0.871 1516 D CB 0.333 41.129 40.800 -0.007 0.000 0.831 1516 D HN 0.207 nan 8.370 nan 0.000 0.389 1517 P HA -0.187 nan 4.420 nan 0.000 0.234 1517 P C 1.159 178.323 177.300 -0.227 0.000 1.162 1517 P CA 0.595 63.643 63.100 -0.087 0.000 0.759 1517 P CB 0.175 31.838 31.700 -0.062 0.000 0.813 1518 R N 0.359 120.717 120.500 -0.236 0.000 2.316 1518 R HA 0.124 4.462 4.340 -0.004 0.000 0.202 1518 R C 0.573 176.451 176.300 -0.703 0.000 1.029 1518 R CA 0.360 56.229 56.100 -0.385 0.000 1.018 1518 R CB -0.499 29.680 30.300 -0.202 0.000 0.888 1518 R HN 0.135 nan 8.270 nan 0.000 0.471 1519 I N -1.450 118.845 120.570 -0.458 0.000 2.667 1519 I HA 0.237 4.405 4.170 -0.004 0.000 0.291 1519 I C -2.015 174.082 176.117 -0.034 0.000 1.722 1519 I CA 0.322 61.432 61.300 -0.316 0.000 1.075 1519 I CB 1.130 39.042 38.000 -0.147 0.000 1.591 1519 I HN -0.004 nan 8.210 nan 0.000 0.471 1520 A N 8.365 131.220 122.820 0.059 0.000 2.639 1520 A HA 0.589 4.907 4.320 -0.004 0.000 0.221 1520 A C -2.808 174.866 177.584 0.151 0.000 0.879 1520 A CA -0.241 51.907 52.037 0.184 0.000 1.189 1520 A CB 0.217 19.347 19.000 0.217 0.000 1.231 1520 A HN 0.566 nan 8.150 nan 0.000 0.457 1521 P HA 0.474 nan 4.420 nan 0.000 0.303 1521 P C 0.598 177.853 177.300 -0.075 0.000 1.272 1521 P CA -0.154 62.967 63.100 0.035 0.000 0.787 1521 P CB 0.350 32.101 31.700 0.084 0.000 1.979 1522 L N -0.234 120.948 121.223 -0.068 0.000 2.023 1522 L HA 0.123 4.461 4.340 -0.004 0.000 0.205 1522 L C 3.013 179.778 176.870 -0.176 0.000 1.073 1522 L CA 1.632 56.412 54.840 -0.100 0.000 0.745 1522 L CB -1.734 40.280 42.059 -0.075 0.000 0.900 1522 L HN 0.211 nan 8.230 nan 0.000 0.435 1523 R N 0.006 120.409 120.500 -0.163 0.000 2.159 1523 R HA -0.266 4.072 4.340 -0.004 0.000 0.252 1523 R C 2.159 178.256 176.300 -0.339 0.000 1.144 1523 R CA 1.856 57.844 56.100 -0.188 0.000 0.961 1523 R CB -0.988 29.236 30.300 -0.126 0.000 0.877 1523 R HN 0.522 nan 8.270 nan 0.000 0.444 1524 G N -0.259 108.206 108.800 -0.559 0.000 2.672 1524 G HA2 -0.383 3.574 3.960 -0.004 0.000 0.218 1524 G HA3 -0.383 3.574 3.960 -0.004 0.000 0.218 1524 G C 1.455 175.760 174.900 -0.992 0.000 1.238 1524 G CA 1.549 45.751 45.100 -1.497 0.000 0.791 1524 G HN 0.551 nan 8.290 nan 0.000 0.606 1525 A N 0.122 122.710 122.820 -0.387 0.000 1.877 1525 A HA 0.099 4.417 4.320 -0.004 0.000 0.216 1525 A C 2.188 179.643 177.584 -0.215 0.000 1.186 1525 A CA 1.458 53.425 52.037 -0.117 0.000 0.620 1525 A CB -0.429 18.538 19.000 -0.054 0.000 0.822 1525 A HN 0.303 nan 8.150 nan 0.000 0.443 1526 L N -0.580 120.525 121.223 -0.196 0.000 2.651 1526 L HA -0.089 4.249 4.340 -0.004 0.000 0.236 1526 L C 2.153 178.947 176.870 -0.125 0.000 1.173 1526 L CA 1.281 56.032 54.840 -0.149 0.000 0.843 1526 L CB -2.251 39.741 42.059 -0.113 0.000 0.964 1526 L HN 0.511 nan 8.230 nan 0.000 0.454 1527 A N -0.899 121.837 122.820 -0.141 0.000 2.383 1527 A HA 0.001 4.319 4.320 -0.004 0.000 0.225 1527 A C 1.149 178.784 177.584 0.084 0.000 1.946 1527 A CA 0.583 52.596 52.037 -0.041 0.000 0.739 1527 A CB -0.843 18.118 19.000 -0.065 0.000 1.405 1527 A HN 0.266 nan 8.150 nan 0.000 0.548 1528 T N 0.372 115.080 114.554 0.256 0.000 2.525 1528 T HA -0.024 4.324 4.350 -0.004 0.000 0.239 1528 T C 0.818 175.524 174.700 0.010 0.000 1.047 1528 T CA 1.433 63.736 62.100 0.338 0.000 1.215 1528 T CB -1.063 67.979 68.868 0.290 0.000 1.025 1528 T HN 1.377 nan 8.240 nan 0.000 0.487 1529 Y N 1.433 121.865 120.300 0.220 0.000 2.662 1529 Y HA -0.388 4.160 4.550 -0.004 0.000 0.485 1529 Y C 1.197 177.190 175.900 0.155 0.000 0.993 1529 Y CA 1.398 59.586 58.100 0.146 0.000 3.171 1529 Y CB -2.261 36.275 38.460 0.126 0.000 0.961 1529 Y HN 1.239 nan 8.280 nan 0.000 0.582 1530 G N 3.394 112.184 108.800 -0.016 0.000 2.866 1530 G HA2 0.001 3.959 3.960 -0.004 0.000 0.339 1530 G HA3 0.001 3.959 3.960 -0.004 0.000 0.339 1530 G C 0.321 175.302 174.900 0.135 0.000 0.181 1530 G CA 0.433 45.574 45.100 0.068 0.000 1.226 1530 G HN 0.744 nan 8.290 nan 0.000 0.395 1531 L N 2.399 123.775 121.223 0.255 0.000 2.238 1531 L HA 0.249 4.587 4.340 -0.004 0.000 0.163 1531 L C 2.186 179.110 176.870 0.090 0.000 0.795 1531 L CA 1.548 56.473 54.840 0.142 0.000 1.402 1531 L CB -0.567 41.584 42.059 0.153 0.000 1.595 1531 L HN 0.898 nan 8.230 nan 0.000 0.431 1532 T N 1.026 115.622 114.554 0.070 0.000 2.334 1532 T HA -0.200 4.148 4.350 -0.004 0.000 0.575 1532 T C 1.571 176.269 174.700 -0.004 0.000 1.026 1532 T CA 0.373 62.487 62.100 0.024 0.000 3.786 1532 T CB -0.718 68.160 68.868 0.017 0.000 0.850 1532 T HN 0.338 nan 8.240 nan 0.000 0.237 1533 I N 3.282 123.841 120.570 -0.018 0.000 2.231 1533 I HA -0.206 3.962 4.170 -0.004 0.000 0.251 1533 I C 1.293 177.370 176.117 -0.066 0.000 1.076 1533 I CA 2.338 63.611 61.300 -0.045 0.000 1.347 1533 I CB -0.752 37.218 38.000 -0.049 0.000 1.038 1533 I HN 0.946 nan 8.210 nan 0.000 0.429 1534 D N -0.573 119.790 120.400 -0.062 0.000 3.171 1534 D HA 0.170 4.808 4.640 -0.004 0.000 0.240 1534 D C -0.770 175.483 176.300 -0.077 0.000 1.432 1534 D CA -0.325 53.629 54.000 -0.077 0.000 0.892 1534 D CB -0.336 40.403 40.800 -0.103 0.000 1.499 1534 D HN 0.123 nan 8.370 nan 0.000 0.597 1535 D N 1.392 121.756 120.400 -0.059 0.000 2.429 1535 D HA 0.246 4.884 4.640 -0.004 0.000 0.255 1535 D C 0.770 177.041 176.300 -0.049 0.000 1.257 1535 D CA -0.430 53.531 54.000 -0.065 0.000 0.890 1535 D CB 0.835 41.602 40.800 -0.056 0.000 1.267 1535 D HN 0.075 nan 8.370 nan 0.000 0.521 1536 L N 1.653 122.842 121.223 -0.056 0.000 2.004 1536 L HA 0.502 4.840 4.340 -0.004 0.000 0.205 1536 L C 2.163 179.008 176.870 -0.042 0.000 1.089 1536 L CA 1.015 55.827 54.840 -0.046 0.000 0.756 1536 L CB -0.892 41.139 42.059 -0.046 0.000 0.900 1536 L HN 0.526 nan 8.230 nan 0.000 0.440 1537 G N -1.511 107.264 108.800 -0.041 0.000 2.148 1537 G HA2 -0.103 3.855 3.960 -0.004 0.000 0.203 1537 G HA3 -0.103 3.855 3.960 -0.004 0.000 0.203 1537 G C 0.253 175.148 174.900 -0.009 0.000 0.993 1537 G CA 0.265 45.345 45.100 -0.033 0.000 0.661 1537 G HN 0.506 nan 8.290 nan 0.000 0.518 1538 V N -3.900 116.018 119.914 0.007 0.000 6.590 1538 V HA 0.979 5.097 4.120 -0.004 0.000 0.138 1538 V C 1.122 177.267 176.094 0.084 0.000 1.352 1538 V CA 0.433 62.752 62.300 0.031 0.000 1.047 1538 V CB 0.324 32.157 31.823 0.016 0.000 2.186 1538 V HN 2.293 nan 8.190 nan 0.000 0.323 1539 A N 0.856 123.717 122.820 0.068 0.000 2.412 1539 A HA 0.100 4.418 4.320 -0.004 0.000 0.676 1539 A C 0.821 178.551 177.584 0.243 0.000 0.183 1539 A CA 0.479 52.562 52.037 0.076 0.000 0.107 1539 A CB -1.912 17.067 19.000 -0.035 0.000 3.914 1539 A HN 2.243 nan 8.150 nan 0.000 0.540 1540 S N 1.918 117.737 115.700 0.198 0.000 2.547 1540 S HA 0.215 4.683 4.470 -0.004 0.000 0.235 1540 S C 1.272 176.198 174.600 0.543 0.000 0.980 1540 S CA 1.557 59.927 58.200 0.282 0.000 0.941 1540 S CB -0.700 62.633 63.200 0.222 0.000 0.763 1540 S HN 1.955 nan 8.310 nan 0.000 0.532 1541 F N 0.695 120.767 119.950 0.204 0.000 2.555 1541 F HA -0.398 4.127 4.527 -0.004 0.000 0.693 1541 F C 1.478 177.448 175.800 0.284 0.000 0.487 1541 F CA 2.130 60.303 58.000 0.288 0.000 0.748 1541 F CB -1.524 37.833 39.000 0.594 0.000 1.624 1541 F HN 0.595 nan 8.300 nan 0.000 0.266 1542 H N -1.510 117.775 119.070 0.358 0.000 4.219 1542 H HA -0.143 4.411 4.556 -0.004 0.000 0.125 1542 H C 0.848 176.276 175.328 0.167 0.000 0.676 1542 H CA 1.289 57.445 56.048 0.180 0.000 1.235 1542 H CB -1.587 28.192 29.762 0.029 0.000 0.642 1542 H HN 1.109 nan 8.280 nan 0.000 0.599 1543 G N 2.775 111.770 108.800 0.326 0.000 2.477 1543 G HA2 0.013 3.971 3.960 -0.004 0.000 0.290 1543 G HA3 0.013 3.971 3.960 -0.004 0.000 0.290 1543 G C 1.301 176.164 174.900 -0.063 0.000 0.700 1543 G CA 1.014 46.190 45.100 0.127 0.000 1.304 1543 G HN 0.884 nan 8.290 nan 0.000 0.289 1544 T N -0.135 114.346 114.554 -0.122 0.000 3.438 1544 T HA -0.035 4.313 4.350 -0.004 0.000 0.263 1544 T C 1.702 176.400 174.700 -0.004 0.000 1.199 1544 T CA 1.082 63.099 62.100 -0.138 0.000 1.019 1544 T CB -0.363 68.342 68.868 -0.271 0.000 0.942 1544 T HN 1.589 nan 8.240 nan 0.000 0.562 1545 S N -0.874 114.789 115.700 -0.062 0.000 3.011 1545 S HA -0.287 4.181 4.470 -0.004 0.000 0.278 1545 S C 1.225 175.820 174.600 -0.009 0.000 1.300 1545 S CA 1.849 60.011 58.200 -0.062 0.000 1.248 1545 S CB -2.446 60.756 63.200 0.004 0.000 1.517 1545 S HN 0.913 nan 8.310 nan 0.000 0.685 1546 T N 0.669 115.237 114.554 0.024 0.000 3.035 1546 T HA 0.066 4.414 4.350 -0.004 0.000 0.268 1546 T C 1.101 175.803 174.700 0.003 0.000 1.109 1546 T CA 1.853 63.988 62.100 0.059 0.000 1.119 1546 T CB -0.587 68.322 68.868 0.068 0.000 0.900 1546 T HN 0.708 nan 8.240 nan 0.000 0.503 1547 K N -0.474 119.898 120.400 -0.047 0.000 2.817 1547 K HA -0.297 4.021 4.320 -0.004 0.000 0.241 1547 K C 0.837 177.414 176.600 -0.038 0.000 0.931 1547 K CA 0.708 56.948 56.287 -0.078 0.000 0.696 1547 K CB -1.167 31.261 32.500 -0.120 0.000 1.235 1547 K HN 0.564 nan 8.250 nan 0.000 0.483 1548 A N -0.169 122.642 122.820 -0.014 0.000 2.259 1548 A HA 0.024 4.342 4.320 -0.004 0.000 0.213 1548 A C 1.461 179.035 177.584 -0.017 0.000 1.209 1548 A CA 0.434 52.466 52.037 -0.009 0.000 0.910 1548 A CB 0.025 19.027 19.000 0.003 0.000 0.946 1548 A HN 0.597 nan 8.150 nan 0.000 0.497 1549 N N -0.209 118.487 118.700 -0.006 0.000 2.510 1549 N HA -0.072 4.666 4.740 -0.004 0.000 0.186 1549 N C 0.428 175.984 175.510 0.078 0.000 1.051 1549 N CA 1.097 54.147 53.050 -0.001 0.000 0.877 1549 N CB -0.186 38.318 38.487 0.028 0.000 1.183 1549 N HN 0.072 nan 8.380 nan 0.000 0.443 1550 D N 1.998 122.433 120.400 0.058 0.000 2.127 1550 D HA -0.214 4.424 4.640 -0.004 0.000 0.190 1550 D C 1.759 178.133 176.300 0.124 0.000 1.000 1550 D CA 1.405 55.443 54.000 0.064 0.000 0.839 1550 D CB -0.205 40.517 40.800 -0.130 0.000 0.955 1550 D HN 0.407 nan 8.370 nan 0.000 0.446 1551 K N 0.659 121.093 120.400 0.056 0.000 1.974 1551 K HA -0.203 4.115 4.320 -0.004 0.000 0.229 1551 K C 0.915 177.592 176.600 0.128 0.000 1.038 1551 K CA 1.180 57.520 56.287 0.089 0.000 1.034 1551 K CB -0.479 32.044 32.500 0.039 0.000 0.742 1551 K HN 0.041 nan 8.250 nan 0.000 0.446 1552 N N 1.690 120.421 118.700 0.052 0.000 2.374 1552 N HA -0.148 4.590 4.740 -0.004 0.000 0.298 1552 N C 0.153 175.707 175.510 0.073 0.000 1.273 1552 N CA 1.378 54.433 53.050 0.008 0.000 1.093 1552 N CB 0.044 38.468 38.487 -0.106 0.000 1.486 1552 N HN 0.612 nan 8.380 nan 0.000 0.488 1553 E N 0.127 120.470 120.200 0.238 0.000 1.813 1553 E HA -0.042 4.305 4.350 -0.004 0.000 0.256 1553 E C -0.528 176.297 176.600 0.374 0.000 1.062 1553 E CA -0.234 56.419 56.400 0.420 0.000 1.754 1553 E CB -0.936 29.130 29.700 0.611 0.000 3.730 1553 E HN 0.184 nan 8.360 nan 0.000 0.961 1554 S N 0.767 116.794 115.700 0.545 0.000 3.120 1554 S HA 0.516 4.984 4.470 -0.004 0.000 0.259 1554 S C 0.016 174.831 174.600 0.358 0.000 1.191 1554 S CA 0.731 59.335 58.200 0.674 0.000 1.257 1554 S CB 0.414 64.106 63.200 0.820 0.000 0.964 1554 S HN 0.598 nan 8.310 nan 0.000 0.473 1555 A N -0.300 122.666 122.820 0.243 0.000 1.953 1555 A HA 0.359 4.677 4.320 -0.004 0.000 0.232 1555 A C 0.516 178.168 177.584 0.113 0.000 2.799 1555 A CA -0.286 51.826 52.037 0.126 0.000 2.066 1555 A CB -0.595 18.460 19.000 0.093 0.000 0.321 1555 A HN 0.247 nan 8.150 nan 0.000 0.918 1556 T N -1.146 113.491 114.554 0.138 0.000 3.345 1556 T HA 0.214 4.562 4.350 -0.004 0.000 0.273 1556 T C 1.001 175.776 174.700 0.126 0.000 0.853 1556 T CA 0.829 63.007 62.100 0.130 0.000 0.812 1556 T CB -0.175 68.802 68.868 0.181 0.000 1.246 1556 T HN 0.534 nan 8.240 nan 0.000 0.737 1557 I N 0.393 121.039 120.570 0.127 0.000 4.032 1557 I HA 0.287 4.455 4.170 -0.004 0.000 0.313 1557 I C 1.693 177.908 176.117 0.163 0.000 1.272 1557 I CA 0.435 61.785 61.300 0.084 0.000 1.307 1557 I CB 0.494 38.485 38.000 -0.015 0.000 1.155 1557 I HN 0.072 nan 8.210 nan 0.000 0.431 1558 N N 1.314 120.126 118.700 0.186 0.000 2.083 1558 N HA -0.241 4.497 4.740 -0.004 0.000 0.190 1558 N C 1.397 176.996 175.510 0.147 0.000 1.047 1558 N CA 1.262 54.426 53.050 0.190 0.000 0.845 1558 N CB 0.039 38.523 38.487 -0.005 0.000 1.025 1558 N HN 0.093 nan 8.380 nan 0.000 0.428 1559 E N -0.266 119.982 120.200 0.080 0.000 2.357 1559 E HA -0.030 4.318 4.350 -0.004 0.000 0.194 1559 E C 0.940 177.595 176.600 0.091 0.000 1.177 1559 E CA 0.189 56.631 56.400 0.069 0.000 0.998 1559 E CB -0.427 29.295 29.700 0.036 0.000 1.106 1559 E HN 0.557 nan 8.360 nan 0.000 0.470 1560 M N -1.515 118.155 119.600 0.118 0.000 2.260 1560 M HA 0.184 4.662 4.480 -0.004 0.000 0.326 1560 M C 0.377 176.738 176.300 0.101 0.000 0.930 1560 M CA -0.066 55.295 55.300 0.102 0.000 1.051 1560 M CB 0.468 33.116 32.600 0.081 0.000 1.748 1560 M HN 0.079 nan 8.290 nan 0.000 0.606 1561 M N 0.613 120.305 119.600 0.153 0.000 2.553 1561 M HA 0.169 4.647 4.480 -0.004 0.000 0.255 1561 M C 1.775 178.136 176.300 0.101 0.000 1.181 1561 M CA 0.978 56.353 55.300 0.124 0.000 1.210 1561 M CB -0.728 32.012 32.600 0.233 0.000 1.280 1561 M HN 0.129 nan 8.290 nan 0.000 0.495 1562 K N 0.109 120.616 120.400 0.178 0.000 2.015 1562 K HA -0.254 4.064 4.320 -0.004 0.000 0.220 1562 K C 1.789 178.430 176.600 0.067 0.000 1.055 1562 K CA 1.966 58.331 56.287 0.129 0.000 0.951 1562 K CB -1.494 31.085 32.500 0.132 0.000 0.725 1562 K HN 0.408 nan 8.250 nan 0.000 0.449 1563 H N -0.085 118.978 119.070 -0.013 0.000 2.570 1563 H HA -0.037 4.516 4.556 -0.004 0.000 0.280 1563 H C 1.164 176.398 175.328 -0.156 0.000 1.038 1563 H CA 0.619 56.632 56.048 -0.058 0.000 1.186 1563 H CB 0.002 29.745 29.762 -0.031 0.000 1.339 1563 H HN 0.044 nan 8.280 nan 0.000 0.615 1564 L N -2.191 118.913 121.223 -0.199 0.000 2.902 1564 L HA 0.376 4.714 4.340 -0.004 0.000 0.254 1564 L C 1.377 178.096 176.870 -0.252 0.000 1.115 1564 L CA 0.949 55.593 54.840 -0.326 0.000 0.947 1564 L CB 0.689 42.628 42.059 -0.200 0.000 1.369 1564 L HN 0.470 nan 8.230 nan 0.000 0.538 1565 G N -0.476 108.238 108.800 -0.143 0.000 2.145 1565 G HA2 -0.059 3.899 3.960 -0.004 0.000 0.203 1565 G HA3 -0.059 3.899 3.960 -0.004 0.000 0.203 1565 G C -0.847 174.009 174.900 -0.074 0.000 1.096 1565 G CA -0.341 44.697 45.100 -0.102 0.000 1.282 1565 G HN 0.271 nan 8.290 nan 0.000 0.474 1566 R N 0.285 120.726 120.500 -0.099 0.000 1.639 1566 R HA -0.032 4.305 4.340 -0.004 0.000 0.381 1566 R C 0.901 177.134 176.300 -0.112 0.000 1.282 1566 R CA 1.069 57.090 56.100 -0.133 0.000 1.204 1566 R CB -1.728 28.445 30.300 -0.212 0.000 3.444 1566 R HN 2.190 nan 8.270 nan 0.000 0.482 1567 S N 2.881 118.524 115.700 -0.095 0.000 2.560 1567 S HA 0.015 4.483 4.470 -0.004 0.000 0.276 1567 S C 0.584 175.144 174.600 -0.068 0.000 1.350 1567 S CA 0.144 58.308 58.200 -0.060 0.000 1.024 1567 S CB 0.640 63.809 63.200 -0.051 0.000 0.864 1567 S HN 0.568 nan 8.310 nan 0.000 0.536 1568 E N 0.890 121.086 120.200 -0.007 0.000 2.330 1568 E HA 0.192 4.540 4.350 -0.004 0.000 0.210 1568 E C 1.078 177.692 176.600 0.024 0.000 1.256 1568 E CA 0.065 56.491 56.400 0.044 0.000 1.346 1568 E CB -0.380 29.369 29.700 0.082 0.000 1.308 1568 E HN 0.883 nan 8.360 nan 0.000 0.441 1569 G N 0.783 109.565 108.800 -0.032 0.000 2.535 1569 G HA2 -0.041 3.916 3.960 -0.004 0.000 0.191 1569 G HA3 -0.041 3.916 3.960 -0.004 0.000 0.191 1569 G C 0.411 175.276 174.900 -0.059 0.000 1.242 1569 G CA -0.352 44.733 45.100 -0.026 0.000 0.797 1569 G HN 0.071 nan 8.290 nan 0.000 0.863 1570 N N 2.569 121.202 118.700 -0.112 0.000 3.228 1570 N HA 0.318 5.056 4.740 -0.004 0.000 0.289 1570 N C -2.768 172.595 175.510 -0.244 0.000 1.419 1570 N CA -1.056 51.913 53.050 -0.134 0.000 1.088 1570 N CB 1.767 40.186 38.487 -0.112 0.000 1.357 1570 N HN 0.153 nan 8.380 nan 0.000 0.504 1571 P HA 0.041 nan 4.420 nan 0.000 0.274 1571 P C 0.139 177.338 177.300 -0.168 0.000 1.470 1571 P CA -0.328 62.534 63.100 -0.396 0.000 1.001 1571 P CB 0.453 32.120 31.700 -0.055 0.000 1.332 1572 V N 2.778 122.577 119.914 -0.193 0.000 3.099 1572 V HA -0.194 3.924 4.120 -0.004 0.000 0.272 1572 V C 0.492 176.603 176.094 0.028 0.000 1.559 1572 V CA 0.213 62.483 62.300 -0.050 0.000 1.518 1572 V CB -0.997 30.826 31.823 0.000 0.000 0.834 1572 V HN 0.375 nan 8.190 nan 0.000 0.466 1573 I N 5.227 125.804 120.570 0.011 0.000 2.474 1573 I HA 0.542 4.710 4.170 -0.004 0.000 0.287 1573 I C 1.264 177.393 176.117 0.020 0.000 1.048 1573 I CA 0.716 62.018 61.300 0.004 0.000 1.383 1573 I CB 1.176 39.162 38.000 -0.024 0.000 1.412 1573 I HN 1.000 nan 8.210 nan 0.000 0.531 1574 G N 4.579 113.340 108.800 -0.065 0.000 2.451 1574 G HA2 0.489 4.447 3.960 -0.004 0.000 0.303 1574 G HA3 0.489 4.447 3.960 -0.004 0.000 0.303 1574 G C 0.361 174.921 174.900 -0.567 0.000 1.166 1574 G CA -0.432 44.501 45.100 -0.278 0.000 0.884 1574 G HN 0.458 nan 8.290 nan 0.000 0.514 1575 V N -0.168 119.343 119.914 -0.671 0.000 3.405 1575 V HA 0.426 4.544 4.120 -0.004 0.000 0.211 1575 V C 0.002 175.797 176.094 -0.497 0.000 1.151 1575 V CA 0.139 62.185 62.300 -0.424 0.000 1.323 1575 V CB -1.046 30.757 31.823 -0.035 0.000 1.357 1575 V HN 0.824 nan 8.190 nan 0.000 0.506 1576 F N 1.219 121.270 119.950 0.169 0.000 2.343 1576 F HA -0.128 4.397 4.527 -0.003 0.000 0.487 1576 F C 0.980 176.883 175.800 0.171 0.000 1.227 1576 F CA 0.495 58.586 58.000 0.151 0.000 1.552 1576 F CB -2.263 36.779 39.000 0.070 0.000 2.399 1576 F HN 0.430 nan 8.300 nan 0.000 0.740 1577 Q N 0.989 120.984 119.800 0.325 0.000 2.378 1577 Q HA -0.099 4.239 4.340 -0.004 0.000 0.205 1577 Q C 1.980 178.128 176.000 0.248 0.000 0.954 1577 Q CA 1.062 57.007 55.803 0.236 0.000 0.901 1577 Q CB 0.223 29.092 28.738 0.217 0.000 0.981 1577 Q HN 0.517 nan 8.270 nan 0.000 0.483 1578 K N 0.726 121.301 120.400 0.291 0.000 2.000 1578 K HA -0.190 4.128 4.320 -0.004 0.000 0.218 1578 K C 0.859 177.638 176.600 0.298 0.000 1.053 1578 K CA 0.708 57.157 56.287 0.270 0.000 0.946 1578 K CB -1.030 31.576 32.500 0.177 0.000 0.723 1578 K HN 0.222 nan 8.250 nan 0.000 0.446 1579 F N 1.928 121.962 119.950 0.140 0.000 2.623 1579 F HA -0.020 4.505 4.527 -0.004 0.000 0.383 1579 F C 1.104 176.969 175.800 0.107 0.000 1.077 1579 F CA 0.306 58.373 58.000 0.111 0.000 1.268 1579 F CB 0.165 39.215 39.000 0.082 0.000 1.053 1579 F HN 0.209 nan 8.300 nan 0.000 0.571 1580 L N 3.820 124.777 121.223 -0.444 0.000 4.692 1580 L HA -0.279 4.059 4.340 -0.004 0.000 0.400 1580 L C -0.206 176.679 176.870 0.026 0.000 0.912 1580 L CA 1.978 56.537 54.840 -0.469 0.000 1.662 1580 L CB -2.008 39.607 42.059 -0.739 0.000 1.814 1580 L HN 0.998 nan 8.230 nan 0.000 0.580 1581 T N -3.030 111.626 114.554 0.170 0.000 3.328 1581 T HA 0.406 4.754 4.350 -0.004 0.000 0.080 1581 T C 0.769 175.781 174.700 0.521 0.000 0.538 1581 T CA 0.321 62.627 62.100 0.344 0.000 0.572 1581 T CB -0.912 68.081 68.868 0.209 0.000 1.025 1581 T HN 1.441 nan 8.240 nan 0.000 0.203 1582 G N 3.006 112.212 108.800 0.676 0.000 2.787 1582 G HA2 -0.245 3.713 3.960 -0.004 0.000 0.343 1582 G HA3 -0.245 3.713 3.960 -0.004 0.000 0.343 1582 G C 0.600 175.808 174.900 0.514 0.000 0.149 1582 G CA 1.525 47.032 45.100 0.679 0.000 1.222 1582 G HN 1.012 nan 8.290 nan 0.000 0.477 1583 H N 2.253 121.466 119.070 0.238 0.000 2.261 1583 H HA -0.113 4.441 4.556 -0.004 0.000 0.290 1583 H C -1.326 174.201 175.328 0.331 0.000 1.081 1583 H CA 0.762 56.924 56.048 0.190 0.000 1.196 1583 H CB -0.952 28.842 29.762 0.052 0.000 1.350 1583 H HN 0.538 nan 8.280 nan 0.000 0.498 1584 P HA 0.239 nan 4.420 nan 0.000 0.304 1584 P C -1.349 175.613 177.300 -0.563 0.000 1.385 1584 P CA -0.488 62.165 63.100 -0.744 0.000 0.896 1584 P CB 1.465 32.829 31.700 -0.560 0.000 0.958 1585 K N 2.652 122.560 120.400 -0.820 0.000 2.793 1585 K HA 0.601 4.919 4.320 -0.004 0.000 0.269 1585 K C 0.169 176.933 176.600 0.273 0.000 1.124 1585 K CA -0.700 55.659 56.287 0.121 0.000 1.074 1585 K CB 0.607 33.344 32.500 0.395 0.000 1.322 1585 K HN 0.601 nan 8.250 nan 0.000 0.532 1586 G N 2.120 110.989 108.800 0.116 0.000 3.050 1586 G HA2 -0.302 3.656 3.960 -0.004 0.000 0.234 1586 G HA3 -0.302 3.656 3.960 -0.004 0.000 0.234 1586 G C 0.885 175.811 174.900 0.044 0.000 1.521 1586 G CA 0.111 45.266 45.100 0.092 0.000 1.090 1586 G HN 0.862 nan 8.290 nan 0.000 0.556 1587 A N 1.290 124.101 122.820 -0.015 0.000 2.285 1587 A HA 0.312 4.630 4.320 -0.004 0.000 0.214 1587 A C 2.748 180.291 177.584 -0.069 0.000 1.188 1587 A CA 2.737 54.689 52.037 -0.141 0.000 0.707 1587 A CB -1.070 17.710 19.000 -0.367 0.000 0.771 1587 A HN 2.316 nan 8.150 nan 0.000 0.488 1588 A N -0.055 122.800 122.820 0.057 0.000 1.870 1588 A HA -0.036 4.282 4.320 -0.004 0.000 0.219 1588 A C 2.427 180.119 177.584 0.179 0.000 1.224 1588 A CA 2.380 54.391 52.037 -0.042 0.000 0.650 1588 A CB -1.599 17.176 19.000 -0.375 0.000 0.836 1588 A HN 0.861 nan 8.150 nan 0.000 0.454 1589 G N -1.137 107.732 108.800 0.116 0.000 2.771 1589 G HA2 -0.030 3.928 3.960 -0.004 0.000 0.214 1589 G HA3 -0.030 3.928 3.960 -0.004 0.000 0.214 1589 G C 1.866 176.874 174.900 0.179 0.000 1.331 1589 G CA 2.329 47.502 45.100 0.121 0.000 0.812 1589 G HN 1.251 nan 8.290 nan 0.000 0.628 1590 A N -0.441 122.465 122.820 0.143 0.000 1.984 1590 A HA -0.275 4.043 4.320 -0.004 0.000 0.224 1590 A C 2.191 179.970 177.584 0.326 0.000 1.256 1590 A CA 2.424 54.575 52.037 0.190 0.000 0.679 1590 A CB -1.033 18.061 19.000 0.157 0.000 0.829 1590 A HN 0.547 nan 8.150 nan 0.000 0.483 1591 W N -0.225 121.165 121.300 0.149 0.000 2.318 1591 W HA -0.219 4.439 4.660 -0.004 0.000 0.313 1591 W C 2.710 179.318 176.519 0.149 0.000 1.221 1591 W CA 1.758 59.200 57.345 0.162 0.000 1.266 1591 W CB -0.839 28.751 29.460 0.216 0.000 1.150 1591 W HN 0.429 nan 8.180 nan 0.000 0.496 1592 M N -1.302 118.527 119.600 0.382 0.000 2.132 1592 M HA -0.211 4.267 4.480 -0.004 0.000 0.263 1592 M C 2.121 178.522 176.300 0.169 0.000 1.065 1592 M CA 1.675 57.124 55.300 0.249 0.000 1.122 1592 M CB -1.018 31.721 32.600 0.232 0.000 1.365 1592 M HN -0.076 nan 8.290 nan 0.000 0.411 1593 M N 1.754 121.452 119.600 0.164 0.000 2.106 1593 M HA -0.195 4.283 4.480 -0.004 0.000 0.259 1593 M C 1.624 177.986 176.300 0.104 0.000 1.068 1593 M CA 1.908 57.270 55.300 0.104 0.000 1.100 1593 M CB -0.706 31.958 32.600 0.108 0.000 1.351 1593 M HN 0.190 nan 8.290 nan 0.000 0.404 1594 N N 0.119 118.948 118.700 0.216 0.000 2.058 1594 N HA -0.096 4.642 4.740 -0.004 0.000 0.191 1594 N C 1.811 177.426 175.510 0.176 0.000 1.037 1594 N CA 1.828 55.098 53.050 0.367 0.000 0.848 1594 N CB -1.010 37.659 38.487 0.304 0.000 1.021 1594 N HN 0.602 nan 8.380 nan 0.000 0.422 1595 G N 0.954 109.807 108.800 0.088 0.000 2.450 1595 G HA2 -0.166 3.792 3.960 -0.004 0.000 0.220 1595 G HA3 -0.166 3.792 3.960 -0.004 0.000 0.220 1595 G C 1.635 176.485 174.900 -0.084 0.000 1.130 1595 G CA 1.219 46.314 45.100 -0.008 0.000 0.760 1595 G HN 0.458 nan 8.290 nan 0.000 0.557 1596 A N 1.290 124.094 122.820 -0.027 0.000 1.827 1596 A HA -0.003 4.315 4.320 -0.004 0.000 0.215 1596 A C 2.413 179.910 177.584 -0.145 0.000 1.212 1596 A CA 1.572 53.575 52.037 -0.056 0.000 0.624 1596 A CB -0.819 18.164 19.000 -0.028 0.000 0.853 1596 A HN 0.332 nan 8.150 nan 0.000 0.450 1597 L N -1.132 119.972 121.223 -0.197 0.000 2.030 1597 L HA -0.392 3.946 4.340 -0.004 0.000 0.222 1597 L C 2.882 179.563 176.870 -0.315 0.000 1.082 1597 L CA 2.443 57.109 54.840 -0.291 0.000 0.785 1597 L CB -1.314 40.401 42.059 -0.573 0.000 0.895 1597 L HN 0.595 nan 8.230 nan 0.000 0.439 1598 Q N 0.266 119.824 119.800 -0.403 0.000 2.142 1598 Q HA -0.264 4.073 4.340 -0.004 0.000 0.213 1598 Q C 2.222 177.775 176.000 -0.745 0.000 1.004 1598 Q CA 2.891 58.271 55.803 -0.704 0.000 0.883 1598 Q CB -0.292 27.849 28.738 -0.995 0.000 0.939 1598 Q HN 0.776 nan 8.270 nan 0.000 0.413 1599 I N -2.069 118.223 120.570 -0.463 0.000 2.252 1599 I HA -0.159 4.009 4.170 -0.004 0.000 0.245 1599 I C 1.004 177.098 176.117 -0.039 0.000 1.102 1599 I CA 0.186 61.402 61.300 -0.140 0.000 1.385 1599 I CB -0.417 37.587 38.000 0.006 0.000 1.064 1599 I HN 0.041 nan 8.210 nan 0.000 0.414 1600 L N 1.689 122.885 121.223 -0.045 0.000 2.361 1600 L HA -0.021 4.317 4.340 -0.004 0.000 0.161 1600 L C 0.888 177.821 176.870 0.104 0.000 0.893 1600 L CA 0.675 55.556 54.840 0.068 0.000 1.513 1600 L CB -1.105 41.007 42.059 0.088 0.000 1.826 1600 L HN 0.397 nan 8.230 nan 0.000 0.453 1601 N N 0.183 119.020 118.700 0.228 0.000 2.700 1601 N HA -0.232 4.505 4.740 -0.004 0.000 0.265 1601 N C 0.381 176.006 175.510 0.192 0.000 0.975 1601 N CA 0.903 54.084 53.050 0.218 0.000 0.800 1601 N CB -0.992 37.569 38.487 0.123 0.000 0.908 1601 N HN 0.553 nan 8.380 nan 0.000 0.551 1602 S N -3.051 112.762 115.700 0.187 0.000 3.270 1602 S HA -0.234 4.234 4.470 -0.004 0.000 0.330 1602 S C 1.338 176.020 174.600 0.138 0.000 1.222 1602 S CA 1.157 59.436 58.200 0.131 0.000 0.971 1602 S CB -1.144 62.148 63.200 0.153 0.000 1.007 1602 S HN 0.904 nan 8.310 nan 0.000 0.614 1603 G N 0.157 109.035 108.800 0.130 0.000 2.479 1603 G HA2 0.492 4.450 3.960 -0.004 0.000 0.275 1603 G HA3 0.492 4.450 3.960 -0.004 0.000 0.275 1603 G C 0.415 175.462 174.900 0.246 0.000 1.421 1603 G CA 0.020 45.254 45.100 0.225 0.000 1.059 1603 G HN 0.302 nan 8.290 nan 0.000 0.535 1604 I N -0.553 120.253 120.570 0.394 0.000 4.030 1604 I HA 0.367 4.535 4.170 -0.004 0.000 0.248 1604 I C 1.812 178.063 176.117 0.223 0.000 1.284 1604 I CA -0.820 60.613 61.300 0.221 0.000 1.223 1604 I CB 0.169 38.252 38.000 0.139 0.000 1.446 1604 I HN 0.356 nan 8.210 nan 0.000 0.519 1605 I N 0.311 120.950 120.570 0.115 0.000 2.490 1605 I HA 0.130 4.297 4.170 -0.004 0.000 0.234 1605 I C -1.127 175.079 176.117 0.148 0.000 1.066 1605 I CA 1.057 62.411 61.300 0.090 0.000 1.405 1605 I CB -2.512 35.484 38.000 -0.006 0.000 1.191 1605 I HN 0.380 nan 8.210 nan 0.000 0.433 1606 P HA 0.253 nan 4.420 nan 0.000 0.322 1606 P C 1.095 178.369 177.300 -0.043 0.000 1.305 1606 P CA 1.096 64.167 63.100 -0.048 0.000 1.114 1606 P CB 2.142 33.786 31.700 -0.094 0.000 1.600 1607 G N 0.888 109.688 108.800 -0.001 0.000 2.270 1607 G HA2 -0.388 3.570 3.960 -0.004 0.000 0.268 1607 G HA3 -0.388 3.570 3.960 -0.004 0.000 0.268 1607 G C 0.708 175.676 174.900 0.113 0.000 0.982 1607 G CA 0.632 45.745 45.100 0.022 0.000 0.628 1607 G HN 0.604 nan 8.290 nan 0.000 0.544 1608 N N -0.485 118.268 118.700 0.088 0.000 4.418 1608 N HA -0.258 4.480 4.740 -0.004 0.000 0.271 1608 N C 0.467 176.119 175.510 0.237 0.000 0.876 1608 N CA 1.231 54.361 53.050 0.134 0.000 1.216 1608 N CB -0.117 38.401 38.487 0.052 0.000 0.754 1608 N HN 0.514 nan 8.380 nan 0.000 0.670 1609 R N 1.871 122.535 120.500 0.274 0.000 2.504 1609 R HA 0.012 4.350 4.340 -0.004 0.000 0.291 1609 R C 0.521 176.985 176.300 0.273 0.000 0.974 1609 R CA 0.632 56.908 56.100 0.293 0.000 1.077 1609 R CB -0.697 29.822 30.300 0.365 0.000 0.926 1609 R HN 0.576 nan 8.270 nan 0.000 0.407 1610 N N 1.930 120.671 118.700 0.069 0.000 2.268 1610 N HA 0.014 4.752 4.740 -0.004 0.000 0.256 1610 N C 0.479 175.918 175.510 -0.119 0.000 1.090 1610 N CA 0.517 53.518 53.050 -0.081 0.000 0.806 1610 N CB -0.381 38.168 38.487 0.103 0.000 1.644 1610 N HN 0.544 nan 8.380 nan 0.000 0.544 1611 A N 1.920 124.736 122.820 -0.007 0.000 5.477 1611 A HA -0.293 4.025 4.320 -0.004 0.000 0.985 1611 A C 0.317 177.873 177.584 -0.048 0.000 1.628 1611 A CA 1.804 53.840 52.037 -0.002 0.000 3.307 1611 A CB -1.211 17.795 19.000 0.010 0.000 1.703 1611 A HN 0.626 nan 8.150 nan 0.000 1.021 1612 D N -1.416 118.960 120.400 -0.040 0.000 2.848 1612 D HA -0.174 4.464 4.640 -0.004 0.000 0.245 1612 D C 0.186 176.449 176.300 -0.062 0.000 1.122 1612 D CA 1.966 55.927 54.000 -0.066 0.000 0.769 1612 D CB -1.504 39.237 40.800 -0.097 0.000 1.025 1612 D HN 1.775 nan 8.370 nan 0.000 0.423 1613 N N -0.753 117.926 118.700 -0.035 0.000 6.352 1613 N HA -0.297 4.441 4.740 -0.004 0.000 0.401 1613 N C 0.381 175.890 175.510 -0.002 0.000 0.961 1613 N CA 1.798 54.837 53.050 -0.017 0.000 1.984 1613 N CB -0.506 37.943 38.487 -0.063 0.000 0.720 1613 N HN 0.078 nan 8.380 nan 0.000 0.534 1614 V N -0.803 119.126 119.914 0.024 0.000 3.480 1614 V HA 0.294 4.412 4.120 -0.004 0.000 0.263 1614 V C 0.014 176.103 176.094 -0.007 0.000 1.442 1614 V CA 1.003 63.315 62.300 0.021 0.000 1.053 1614 V CB -0.443 31.458 31.823 0.130 0.000 0.846 1614 V HN 1.042 nan 8.190 nan 0.000 0.440 1615 D N 0.608 121.016 120.400 0.013 0.000 9.668 1615 D HA -0.148 4.490 4.640 -0.004 0.000 0.272 1615 D C 0.231 176.561 176.300 0.050 0.000 2.707 1615 D CA 0.520 54.526 54.000 0.009 0.000 2.597 1615 D CB -0.090 40.695 40.800 -0.025 0.000 1.005 1615 D HN 0.127 nan 8.370 nan 0.000 0.719 1616 K N 3.543 123.969 120.400 0.043 0.000 2.057 1616 K HA 0.040 4.358 4.320 -0.004 0.000 0.206 1616 K C 2.160 178.794 176.600 0.057 0.000 1.050 1616 K CA 1.617 57.937 56.287 0.054 0.000 0.935 1616 K CB -0.422 32.104 32.500 0.043 0.000 0.715 1616 K HN 0.619 nan 8.250 nan 0.000 0.439 1617 I N -0.803 119.793 120.570 0.044 0.000 2.874 1617 I HA -0.211 3.957 4.170 -0.004 0.000 0.271 1617 I C 0.616 176.773 176.117 0.068 0.000 1.263 1617 I CA 0.664 61.990 61.300 0.043 0.000 1.443 1617 I CB -0.350 37.668 38.000 0.030 0.000 1.100 1617 I HN -0.005 nan 8.210 nan 0.000 0.480 1618 L N 0.942 122.230 121.223 0.108 0.000 2.788 1618 L HA 0.265 4.603 4.340 -0.004 0.000 0.151 1618 L C 0.326 177.261 176.870 0.108 0.000 1.548 1618 L CA -0.443 54.509 54.840 0.186 0.000 2.184 1618 L CB -0.316 41.980 42.059 0.394 0.000 2.730 1618 L HN 0.217 nan 8.230 nan 0.000 0.588 1619 E N -0.034 120.218 120.200 0.085 0.000 5.777 1619 E HA -0.192 4.156 4.350 -0.004 0.000 0.177 1619 E C -0.750 175.788 176.600 -0.103 0.000 1.390 1619 E CA -0.029 56.357 56.400 -0.023 0.000 1.310 1619 E CB -0.793 28.913 29.700 0.010 0.000 0.995 1619 E HN 0.535 nan 8.360 nan 0.000 0.328 1620 Q N -0.002 119.670 119.800 -0.213 0.000 1.781 1620 Q HA 0.329 4.667 4.340 -0.004 0.000 0.148 1620 Q C -0.556 175.059 176.000 -0.641 0.000 0.510 1620 Q CA 0.197 55.735 55.803 -0.443 0.000 0.807 1620 Q CB 0.670 29.184 28.738 -0.373 0.000 0.939 1620 Q HN 0.338 nan 8.270 nan 0.000 0.252 1621 F N 2.849 122.733 119.950 -0.110 0.000 2.584 1621 F HA 0.338 4.863 4.527 -0.004 0.000 0.328 1621 F C -0.762 174.898 175.800 -0.234 0.000 1.407 1621 F CA -1.006 56.927 58.000 -0.112 0.000 1.145 1621 F CB 0.191 39.178 39.000 -0.022 0.000 1.440 1621 F HN 0.154 nan 8.300 nan 0.000 0.580 1622 E N -0.439 119.672 120.200 -0.149 0.000 8.730 1622 E HA -0.290 4.058 4.350 -0.004 0.000 0.455 1622 E C -2.095 174.236 176.600 -0.449 0.000 1.248 1622 E CA 1.152 57.386 56.400 -0.278 0.000 2.145 1622 E CB -0.503 29.168 29.700 -0.049 0.000 1.003 1622 E HN 0.312 nan 8.360 nan 0.000 0.378 1623 Y N 1.279 121.633 120.300 0.090 0.000 2.327 1623 Y HA 0.375 4.923 4.550 -0.003 0.000 0.325 1623 Y C 0.938 176.881 175.900 0.071 0.000 0.999 1623 Y CA -0.684 57.470 58.100 0.089 0.000 1.195 1623 Y CB 0.885 39.445 38.460 0.167 0.000 1.132 1623 Y HN 0.720 nan 8.280 nan 0.000 0.455 1624 V N 1.995 121.990 119.914 0.134 0.000 4.330 1624 V HA -0.144 3.974 4.120 -0.004 0.000 0.300 1624 V C 1.001 177.189 176.094 0.157 0.000 0.901 1624 V CA 1.458 63.807 62.300 0.082 0.000 0.979 1624 V CB 0.059 31.870 31.823 -0.019 0.000 1.151 1624 V HN 0.897 nan 8.190 nan 0.000 0.441 1625 L N -3.120 118.200 121.223 0.161 0.000 4.993 1625 L HA 0.342 4.680 4.340 -0.004 0.000 0.513 1625 L C -0.345 176.720 176.870 0.325 0.000 0.786 1625 L CA 0.672 55.649 54.840 0.229 0.000 2.129 1625 L CB -1.168 41.032 42.059 0.235 0.000 2.129 1625 L HN 1.631 nan 8.230 nan 0.000 0.597 1626 Y N -2.669 117.660 120.300 0.048 0.000 2.786 1626 Y HA 0.609 5.157 4.550 -0.004 0.000 0.365 1626 Y C -2.600 173.308 175.900 0.013 0.000 1.171 1626 Y CA -0.366 57.755 58.100 0.034 0.000 1.214 1626 Y CB -0.403 38.075 38.460 0.030 0.000 1.411 1626 Y HN -0.235 nan 8.280 nan 0.000 0.485 1627 P HA -0.384 nan 4.420 nan 0.000 0.237 1627 P C 0.373 177.422 177.300 -0.419 0.000 1.132 1627 P CA 3.888 66.838 63.100 -0.250 0.000 0.939 1627 P CB -0.234 31.394 31.700 -0.120 0.000 0.749 1628 S N -1.626 113.536 115.700 -0.896 0.000 3.488 1628 S HA -0.222 4.246 4.470 -0.004 0.000 0.492 1628 S C 0.314 174.702 174.600 -0.352 0.000 0.779 1628 S CA 0.552 58.376 58.200 -0.626 0.000 1.378 1628 S CB -1.911 61.096 63.200 -0.322 0.000 0.924 1628 S HN 0.331 nan 8.310 nan 0.000 0.719 1629 K N 2.414 122.620 120.400 -0.323 0.000 3.855 1629 K HA -0.159 4.159 4.320 -0.004 0.000 0.210 1629 K C 0.761 177.293 176.600 -0.112 0.000 0.483 1629 K CA 1.035 57.227 56.287 -0.160 0.000 0.707 1629 K CB -1.860 30.592 32.500 -0.081 0.000 1.200 1629 K HN 1.223 nan 8.250 nan 0.000 0.400 1630 T N -0.314 114.174 114.554 -0.110 0.000 0.749 1630 T HA -0.245 4.103 4.350 -0.004 0.000 0.750 1630 T C -0.059 174.617 174.700 -0.040 0.000 0.989 1630 T CA -0.078 61.990 62.100 -0.053 0.000 3.962 1630 T CB -0.398 68.458 68.868 -0.021 0.000 2.235 1630 T HN 0.356 nan 8.240 nan 0.000 0.384 1631 L N 5.177 126.378 121.223 -0.036 0.000 2.433 1631 L HA 0.177 4.515 4.340 -0.004 0.000 0.284 1631 L C 1.649 178.508 176.870 -0.017 0.000 1.120 1631 L CA -0.694 54.129 54.840 -0.029 0.000 0.879 1631 L CB 0.507 42.548 42.059 -0.031 0.000 1.232 1631 L HN 0.763 nan 8.230 nan 0.000 0.454 1632 K N 0.820 121.213 120.400 -0.011 0.000 2.001 1632 K HA -0.215 4.103 4.320 -0.004 0.000 0.214 1632 K C 1.962 178.555 176.600 -0.010 0.000 1.050 1632 K CA 2.113 58.399 56.287 -0.001 0.000 0.934 1632 K CB -0.816 31.686 32.500 0.004 0.000 0.718 1632 K HN 0.791 nan 8.250 nan 0.000 0.443 1633 T N -0.549 113.998 114.554 -0.012 0.000 2.529 1633 T HA -0.189 4.158 4.350 -0.004 0.000 0.261 1633 T C 1.149 175.831 174.700 -0.029 0.000 1.110 1633 T CA 1.232 63.323 62.100 -0.015 0.000 1.192 1633 T CB -0.830 68.032 68.868 -0.009 0.000 0.864 1633 T HN 0.150 nan 8.240 nan 0.000 0.407 1634 D N 0.524 120.908 120.400 -0.027 0.000 2.192 1634 D HA 0.398 5.035 4.640 -0.004 0.000 0.238 1634 D C 1.448 177.722 176.300 -0.043 0.000 1.348 1634 D CA 1.808 55.788 54.000 -0.033 0.000 0.938 1634 D CB -0.546 40.237 40.800 -0.029 0.000 1.256 1634 D HN 0.789 nan 8.370 nan 0.000 0.529 1635 G N -1.484 107.292 108.800 -0.040 0.000 3.031 1635 G HA2 -0.324 3.634 3.960 -0.004 0.000 0.289 1635 G HA3 -0.324 3.634 3.960 -0.004 0.000 0.289 1635 G C -0.090 174.767 174.900 -0.072 0.000 1.393 1635 G CA -0.099 44.981 45.100 -0.033 0.000 1.010 1635 G HN 0.878 nan 8.290 nan 0.000 0.579 1636 V N 2.518 122.358 119.914 -0.123 0.000 2.996 1636 V HA 0.195 4.312 4.120 -0.004 0.000 0.289 1636 V C 1.190 177.141 176.094 -0.240 0.000 1.171 1636 V CA 3.011 65.124 62.300 -0.312 0.000 1.298 1636 V CB -0.183 31.303 31.823 -0.562 0.000 0.803 1636 V HN 1.111 nan 8.190 nan 0.000 0.448 1637 R N 2.074 122.468 120.500 -0.175 0.000 4.470 1637 R HA 0.399 4.737 4.340 -0.004 0.000 0.088 1637 R C -0.119 176.108 176.300 -0.121 0.000 0.579 1637 R CA 0.107 56.101 56.100 -0.176 0.000 0.856 1637 R CB -0.311 29.939 30.300 -0.084 0.000 0.960 1637 R HN 0.656 nan 8.270 nan 0.000 0.357 1638 A N 0.110 122.888 122.820 -0.071 0.000 2.637 1638 A HA 0.763 5.081 4.320 -0.004 0.000 0.258 1638 A C 0.418 177.979 177.584 -0.040 0.000 1.250 1638 A CA 0.274 52.279 52.037 -0.054 0.000 0.931 1638 A CB 1.239 20.210 19.000 -0.049 0.000 1.488 1638 A HN 0.608 nan 8.150 nan 0.000 0.464 1639 V N -4.947 114.945 119.914 -0.036 0.000 5.258 1639 V HA 0.426 4.544 4.120 -0.004 0.000 0.122 1639 V C 0.667 176.743 176.094 -0.029 0.000 1.199 1639 V CA 0.752 63.037 62.300 -0.026 0.000 1.018 1639 V CB -0.832 30.976 31.823 -0.024 0.000 1.289 1639 V HN 2.238 nan 8.190 nan 0.000 0.656 1640 S N 1.988 117.665 115.700 -0.040 0.000 3.454 1640 S HA -0.114 4.353 4.470 -0.004 0.000 0.508 1640 S C 0.843 175.402 174.600 -0.067 0.000 0.738 1640 S CA 0.463 58.627 58.200 -0.060 0.000 1.383 1640 S CB -1.144 62.012 63.200 -0.073 0.000 0.945 1640 S HN 1.363 nan 8.310 nan 0.000 0.768 1641 I N 1.766 122.306 120.570 -0.049 0.000 2.032 1641 I HA 0.056 4.224 4.170 -0.004 0.000 0.231 1641 I C 1.206 177.263 176.117 -0.101 0.000 1.035 1641 I CA 1.909 63.194 61.300 -0.025 0.000 1.312 1641 I CB -2.435 35.569 38.000 0.007 0.000 1.041 1641 I HN 0.870 nan 8.210 nan 0.000 0.390 1642 T N 0.871 115.325 114.554 -0.167 0.000 0.583 1642 T HA 0.123 4.470 4.350 -0.004 0.000 0.773 1642 T C -0.502 173.961 174.700 -0.395 0.000 0.994 1642 T CA 0.063 61.960 62.100 -0.338 0.000 4.064 1642 T CB -0.739 67.859 68.868 -0.450 0.000 2.300 1642 T HN 1.122 nan 8.240 nan 0.000 0.398 1643 S N 1.113 116.409 115.700 -0.673 0.000 2.535 1643 S HA 0.829 5.296 4.470 -0.004 0.000 0.272 1643 S C -1.805 172.270 174.600 -0.874 0.000 1.149 1643 S CA -1.136 56.558 58.200 -0.843 0.000 0.888 1643 S CB 1.367 64.217 63.200 -0.584 0.000 1.110 1643 S HN 0.622 nan 8.310 nan 0.000 0.463 1644 F N 1.232 120.778 119.950 -0.673 0.000 2.539 1644 F HA 0.785 5.310 4.527 -0.004 0.000 0.328 1644 F C 0.743 176.304 175.800 -0.399 0.000 1.148 1644 F CA -0.323 57.453 58.000 -0.372 0.000 0.940 1644 F CB 2.076 40.952 39.000 -0.207 0.000 1.194 1644 F HN 1.054 nan 8.300 nan 0.000 0.438 1645 G N 1.581 110.299 108.800 -0.138 0.000 3.016 1645 G HA2 0.632 4.590 3.960 -0.004 0.000 0.270 1645 G HA3 0.632 4.590 3.960 -0.004 0.000 0.270 1645 G C -0.682 174.036 174.900 -0.302 0.000 1.352 1645 G CA -0.624 44.297 45.100 -0.298 0.000 1.060 1645 G HN 0.234 nan 8.290 nan 0.000 0.538 1646 F N -0.440 119.513 119.950 0.004 0.000 2.173 1646 F HA 0.440 4.965 4.527 -0.003 0.000 0.280 1646 F C 1.984 177.784 175.800 0.001 0.000 1.175 1646 F CA 0.796 58.789 58.000 -0.012 0.000 1.166 1646 F CB -0.193 38.792 39.000 -0.025 0.000 1.589 1646 F HN 0.774 nan 8.300 nan 0.000 0.513 1647 G N -0.366 108.567 108.800 0.222 0.000 2.225 1647 G HA2 -0.429 3.529 3.960 -0.004 0.000 0.272 1647 G HA3 -0.429 3.529 3.960 -0.004 0.000 0.272 1647 G C 0.589 175.532 174.900 0.072 0.000 0.996 1647 G CA 0.818 45.989 45.100 0.119 0.000 0.710 1647 G HN 0.801 nan 8.290 nan 0.000 0.522 1648 Q N -1.522 118.314 119.800 0.059 0.000 2.452 1648 Q HA -0.204 4.134 4.340 -0.004 0.000 0.318 1648 Q C -0.208 175.808 176.000 0.026 0.000 1.386 1648 Q CA 1.451 57.268 55.803 0.022 0.000 0.872 1648 Q CB -0.892 27.854 28.738 0.013 0.000 1.151 1648 Q HN 0.710 nan 8.270 nan 0.000 0.417 1649 K N -0.583 119.834 120.400 0.028 0.000 2.334 1649 K HA 0.350 4.668 4.320 -0.004 0.000 0.265 1649 K C 0.746 177.363 176.600 0.029 0.000 1.039 1649 K CA 0.314 56.614 56.287 0.023 0.000 0.920 1649 K CB 1.288 33.799 32.500 0.017 0.000 1.160 1649 K HN 0.373 nan 8.250 nan 0.000 0.451 1650 G N 1.843 110.681 108.800 0.062 0.000 2.808 1650 G HA2 0.090 4.048 3.960 -0.004 0.000 0.210 1650 G HA3 0.090 4.048 3.960 -0.004 0.000 0.210 1650 G C 0.510 175.385 174.900 -0.041 0.000 1.177 1650 G CA 0.228 45.400 45.100 0.119 0.000 0.853 1650 G HN 0.770 nan 8.290 nan 0.000 0.625 1651 G N 0.165 108.951 108.800 -0.022 0.000 2.862 1651 G HA2 0.098 4.056 3.960 -0.004 0.000 0.334 1651 G HA3 0.098 4.056 3.960 -0.004 0.000 0.334 1651 G C -0.159 174.666 174.900 -0.125 0.000 0.154 1651 G CA 1.026 46.091 45.100 -0.059 0.000 1.240 1651 G HN 0.750 nan 8.290 nan 0.000 0.465 1652 Q N 0.993 120.720 119.800 -0.122 0.000 2.413 1652 Q HA 0.819 5.157 4.340 -0.004 0.000 0.276 1652 Q C -0.448 175.496 176.000 -0.093 0.000 1.099 1652 Q CA -0.120 55.591 55.803 -0.153 0.000 0.814 1652 Q CB 2.109 30.720 28.738 -0.211 0.000 1.379 1652 Q HN 1.735 nan 8.270 nan 0.000 0.436 1653 A N 3.546 126.316 122.820 -0.083 0.000 2.449 1653 A HA 0.778 5.096 4.320 -0.004 0.000 0.302 1653 A C -1.530 176.026 177.584 -0.047 0.000 1.048 1653 A CA -0.727 51.280 52.037 -0.050 0.000 0.708 1653 A CB 1.045 20.026 19.000 -0.033 0.000 1.274 1653 A HN 0.848 nan 8.150 nan 0.000 0.410 1654 I N 1.850 122.397 120.570 -0.038 0.000 2.693 1654 I HA 0.796 4.964 4.170 -0.004 0.000 0.303 1654 I C -1.315 174.786 176.117 -0.026 0.000 1.025 1654 I CA -0.926 60.352 61.300 -0.037 0.000 1.086 1654 I CB 1.852 39.824 38.000 -0.045 0.000 1.268 1654 I HN 0.495 nan 8.210 nan 0.000 0.440 1655 V N 6.615 126.511 119.914 -0.029 0.000 3.074 1655 V HA 0.604 4.722 4.120 -0.004 0.000 0.314 1655 V C -0.956 175.119 176.094 -0.031 0.000 1.117 1655 V CA -0.488 61.798 62.300 -0.024 0.000 1.014 1655 V CB 2.455 34.258 31.823 -0.032 0.000 1.057 1655 V HN 0.551 nan 8.190 nan 0.000 0.438 1656 V N 2.653 122.553 119.914 -0.023 0.000 2.960 1656 V HA 0.579 4.697 4.120 -0.004 0.000 0.315 1656 V C -0.229 175.829 176.094 -0.061 0.000 1.087 1656 V CA -0.597 61.675 62.300 -0.045 0.000 0.982 1656 V CB 1.907 33.717 31.823 -0.021 0.000 1.039 1656 V HN 1.080 nan 8.190 nan 0.000 0.437 1657 H N 6.790 125.716 119.070 -0.240 0.000 2.998 1657 H HA 0.243 4.797 4.556 -0.004 0.000 0.353 1657 H C -2.161 173.077 175.328 -0.150 0.000 1.099 1657 H CA 0.350 56.265 56.048 -0.222 0.000 1.393 1657 H CB 1.007 30.567 29.762 -0.336 0.000 1.343 1657 H HN 0.574 nan 8.280 nan 0.000 0.609 1658 P HA -0.003 nan 4.420 nan 0.000 0.339 1658 P C 0.037 177.295 177.300 -0.070 0.000 1.376 1658 P CA 0.354 63.269 63.100 -0.308 0.000 0.797 1658 P CB 0.632 32.165 31.700 -0.278 0.000 1.872 1659 D N -2.678 117.857 120.400 0.225 0.000 3.624 1659 D HA -0.251 4.387 4.640 -0.004 0.000 0.198 1659 D C 1.374 178.010 176.300 0.560 0.000 1.553 1659 D CA 1.952 56.347 54.000 0.659 0.000 2.254 1659 D CB -2.047 39.093 40.800 0.567 0.000 1.308 1659 D HN 0.346 nan 8.370 nan 0.000 0.404 1660 Y N 0.445 120.846 120.300 0.167 0.000 2.716 1660 Y HA 0.140 4.688 4.550 -0.003 0.000 0.302 1660 Y C 1.598 177.390 175.900 -0.181 0.000 1.160 1660 Y CA 0.479 58.642 58.100 0.104 0.000 1.362 1660 Y CB -0.314 38.306 38.460 0.266 0.000 0.988 1660 Y HN 0.222 nan 8.280 nan 0.000 0.546 1661 L N -0.116 121.013 121.223 -0.156 0.000 2.504 1661 L HA 0.322 4.660 4.340 -0.004 0.000 0.249 1661 L C -1.699 174.691 176.870 -0.799 0.000 1.120 1661 L CA -0.231 54.313 54.840 -0.493 0.000 0.997 1661 L CB -0.062 41.678 42.059 -0.532 0.000 1.349 1661 L HN -0.001 nan 8.230 nan 0.000 0.439 1662 Y N 2.409 122.654 120.300 -0.092 0.000 2.640 1662 Y HA 0.463 5.011 4.550 -0.004 0.000 0.295 1662 Y C 0.602 176.453 175.900 -0.081 0.000 1.023 1662 Y CA -0.585 57.483 58.100 -0.053 0.000 1.163 1662 Y CB 0.885 39.340 38.460 -0.009 0.000 1.145 1662 Y HN 0.444 nan 8.280 nan 0.000 0.609 1663 G N 0.199 108.981 108.800 -0.029 0.000 2.641 1663 G HA2 0.578 4.535 3.960 -0.004 0.000 0.239 1663 G HA3 0.578 4.535 3.960 -0.004 0.000 0.239 1663 G C 0.145 175.045 174.900 -0.001 0.000 1.402 1663 G CA -0.486 44.595 45.100 -0.032 0.000 1.046 1663 G HN 0.898 nan 8.290 nan 0.000 0.565 1664 A N -1.494 121.320 122.820 -0.011 0.000 2.360 1664 A HA -0.039 4.279 4.320 -0.004 0.000 0.289 1664 A C 1.106 178.716 177.584 0.043 0.000 1.437 1664 A CA 0.982 53.023 52.037 0.007 0.000 0.734 1664 A CB -2.141 16.857 19.000 -0.004 0.000 1.145 1664 A HN 1.904 nan 8.150 nan 0.000 0.374 1665 I N -2.756 117.827 120.570 0.022 0.000 4.546 1665 I HA -0.358 3.810 4.170 -0.004 0.000 0.128 1665 I C 1.097 177.206 176.117 -0.014 0.000 1.403 1665 I CA 1.714 63.025 61.300 0.019 0.000 0.462 1665 I CB -1.318 36.713 38.000 0.052 0.000 1.071 1665 I HN 1.994 nan 8.210 nan 0.000 0.309 1666 T N 0.406 114.938 114.554 -0.038 0.000 5.266 1666 T HA 0.075 4.423 4.350 -0.004 0.000 0.266 1666 T C -0.713 173.869 174.700 -0.197 0.000 2.221 1666 T CA 0.757 62.708 62.100 -0.249 0.000 3.668 1666 T CB -1.133 67.618 68.868 -0.195 0.000 0.163 1666 T HN 0.724 nan 8.240 nan 0.000 0.188 1667 E N -0.366 119.849 120.200 0.026 0.000 2.442 1667 E HA 0.460 4.808 4.350 -0.004 0.000 0.278 1667 E C -0.045 176.667 176.600 0.187 0.000 1.082 1667 E CA -0.459 56.022 56.400 0.135 0.000 0.861 1667 E CB 0.764 30.504 29.700 0.066 0.000 1.462 1667 E HN 0.076 nan 8.360 nan 0.000 0.458 1668 D N 0.437 120.936 120.400 0.164 0.000 4.002 1668 D HA -0.305 4.333 4.640 -0.004 0.000 0.429 1668 D C 0.762 177.148 176.300 0.144 0.000 0.498 1668 D CA 2.011 56.086 54.000 0.126 0.000 1.251 1668 D CB -0.288 40.557 40.800 0.076 0.000 0.472 1668 D HN 0.140 nan 8.370 nan 0.000 0.263 1669 R N 0.829 121.403 120.500 0.124 0.000 4.874 1669 R HA 0.076 4.414 4.340 -0.004 0.000 0.173 1669 R C -0.265 176.161 176.300 0.210 0.000 2.034 1669 R CA 0.587 56.755 56.100 0.114 0.000 1.630 1669 R CB -0.936 29.405 30.300 0.068 0.000 1.372 1669 R HN 0.726 nan 8.270 nan 0.000 0.843 1670 Y N -1.408 118.942 120.300 0.084 0.000 3.014 1670 Y HA 0.018 4.566 4.550 -0.004 0.000 0.219 1670 Y C 0.643 176.629 175.900 0.143 0.000 1.019 1670 Y CA -0.177 57.996 58.100 0.121 0.000 1.520 1670 Y CB -0.170 38.339 38.460 0.081 0.000 1.377 1670 Y HN 0.117 nan 8.280 nan 0.000 0.425 1671 N N 2.012 120.881 118.700 0.282 0.000 2.453 1671 N HA -0.106 4.632 4.740 -0.004 0.000 0.183 1671 N C 1.469 177.007 175.510 0.048 0.000 1.041 1671 N CA 1.435 54.579 53.050 0.156 0.000 0.900 1671 N CB -0.106 38.559 38.487 0.296 0.000 0.961 1671 N HN 0.680 nan 8.380 nan 0.000 0.443 1672 E N -0.308 119.933 120.200 0.068 0.000 2.072 1672 E HA -0.189 4.159 4.350 -0.004 0.000 0.190 1672 E C 1.554 178.165 176.600 0.018 0.000 0.982 1672 E CA 0.581 57.005 56.400 0.041 0.000 0.803 1672 E CB -0.026 29.704 29.700 0.050 0.000 0.755 1672 E HN 0.313 nan 8.360 nan 0.000 0.453 1673 Y N 1.589 121.804 120.300 -0.142 0.000 2.044 1673 Y HA -0.282 4.266 4.550 -0.004 0.000 0.264 1673 Y C 2.237 177.998 175.900 -0.233 0.000 1.111 1673 Y CA 1.839 59.825 58.100 -0.191 0.000 1.088 1673 Y CB -0.875 37.434 38.460 -0.252 0.000 0.981 1673 Y HN -0.153 nan 8.280 nan 0.000 0.478 1674 V N 1.117 120.739 119.914 -0.487 0.000 2.467 1674 V HA -0.468 3.650 4.120 -0.004 0.000 0.266 1674 V C 2.414 178.294 176.094 -0.356 0.000 1.124 1674 V CA 1.941 63.912 62.300 -0.548 0.000 1.121 1674 V CB -2.099 29.420 31.823 -0.508 0.000 0.695 1674 V HN 0.675 nan 8.190 nan 0.000 0.466 1675 A N -0.268 122.414 122.820 -0.230 0.000 1.832 1675 A HA -0.139 4.179 4.320 -0.004 0.000 0.214 1675 A C 2.211 179.694 177.584 -0.169 0.000 1.242 1675 A CA 1.589 53.543 52.037 -0.139 0.000 0.603 1675 A CB -0.538 18.421 19.000 -0.068 0.000 0.902 1675 A HN 0.471 nan 8.150 nan 0.000 0.455 1676 K N -0.354 119.952 120.400 -0.156 0.000 2.189 1676 K HA -0.160 4.158 4.320 -0.004 0.000 0.207 1676 K C 1.815 178.298 176.600 -0.194 0.000 1.046 1676 K CA 1.505 57.713 56.287 -0.132 0.000 0.928 1676 K CB -0.499 31.953 32.500 -0.079 0.000 0.720 1676 K HN 0.265 nan 8.250 nan 0.000 0.458 1677 V N 0.474 120.165 119.914 -0.372 0.000 2.307 1677 V HA -0.194 3.924 4.120 -0.004 0.000 0.245 1677 V C 2.030 177.982 176.094 -0.236 0.000 1.045 1677 V CA 1.828 63.893 62.300 -0.392 0.000 1.024 1677 V CB -0.118 31.273 31.823 -0.719 0.000 0.651 1677 V HN 0.306 nan 8.190 nan 0.000 0.449 1678 S N -0.546 115.023 115.700 -0.219 0.000 2.727 1678 S HA 0.143 4.610 4.470 -0.004 0.000 0.226 1678 S C 1.218 175.769 174.600 -0.082 0.000 0.963 1678 S CA 0.628 58.750 58.200 -0.131 0.000 0.950 1678 S CB -0.252 62.880 63.200 -0.113 0.000 0.779 1678 S HN 0.573 nan 8.310 nan 0.000 0.532 1679 A N 0.233 123.001 122.820 -0.087 0.000 2.564 1679 A HA 0.486 4.804 4.320 -0.004 0.000 0.279 1679 A C 1.581 179.146 177.584 -0.032 0.000 1.232 1679 A CA -0.518 51.490 52.037 -0.048 0.000 0.950 1679 A CB 0.237 19.208 19.000 -0.048 0.000 1.138 1679 A HN 0.336 nan 8.150 nan 0.000 0.526 1680 R N 0.291 120.769 120.500 -0.037 0.000 4.019 1680 R HA 0.194 4.532 4.340 -0.004 0.000 0.140 1680 R C -0.454 175.858 176.300 0.020 0.000 1.486 1680 R CA 0.037 56.131 56.100 -0.010 0.000 1.119 1680 R CB -0.539 29.742 30.300 -0.032 0.000 1.357 1680 R HN 0.481 nan 8.270 nan 0.000 0.449 1681 E N 2.947 123.144 120.200 -0.006 0.000 2.299 1681 E HA 0.087 4.435 4.350 -0.004 0.000 0.272 1681 E C -0.413 176.197 176.600 0.016 0.000 1.043 1681 E CA 0.231 56.636 56.400 0.008 0.000 0.895 1681 E CB 0.449 30.129 29.700 -0.033 0.000 1.011 1681 E HN 0.183 nan 8.360 nan 0.000 0.432 1682 K N 0.906 121.362 120.400 0.093 0.000 3.509 1682 K HA -0.149 4.169 4.320 -0.004 0.000 0.302 1682 K C 0.382 177.066 176.600 0.141 0.000 1.355 1682 K CA 0.940 57.335 56.287 0.180 0.000 0.953 1682 K CB -1.545 30.994 32.500 0.065 0.000 1.321 1682 K HN 0.426 nan 8.250 nan 0.000 0.461 1683 S N -1.602 114.162 115.700 0.107 0.000 2.651 1683 S HA 0.337 4.805 4.470 -0.004 0.000 0.259 1683 S C 0.980 175.634 174.600 0.091 0.000 1.073 1683 S CA 0.055 58.294 58.200 0.065 0.000 1.090 1683 S CB 1.378 64.594 63.200 0.027 0.000 1.042 1683 S HN 0.413 nan 8.310 nan 0.000 0.581 1684 A N -0.031 122.876 122.820 0.146 0.000 2.508 1684 A HA 0.360 4.677 4.320 -0.004 0.000 0.250 1684 A C 1.186 178.955 177.584 0.309 0.000 1.208 1684 A CA -0.163 52.002 52.037 0.213 0.000 0.960 1684 A CB -0.344 18.770 19.000 0.190 0.000 1.099 1684 A HN 0.389 nan 8.150 nan 0.000 0.542 1685 Y N 1.598 121.949 120.300 0.085 0.000 2.497 1685 Y HA -0.058 4.490 4.550 -0.004 0.000 0.292 1685 Y C 1.766 177.708 175.900 0.070 0.000 1.137 1685 Y CA 1.545 59.662 58.100 0.028 0.000 1.285 1685 Y CB -0.258 38.161 38.460 -0.068 0.000 0.991 1685 Y HN 0.387 nan 8.280 nan 0.000 0.556 1686 K N -0.270 120.166 120.400 0.061 0.000 1.979 1686 K HA -0.210 4.108 4.320 -0.004 0.000 0.213 1686 K C 2.056 178.740 176.600 0.141 0.000 1.036 1686 K CA 1.398 57.669 56.287 -0.026 0.000 0.954 1686 K CB -1.138 31.375 32.500 0.023 0.000 0.743 1686 K HN 0.176 nan 8.250 nan 0.000 0.443 1687 F N 1.594 121.587 119.950 0.071 0.000 2.076 1687 F HA -0.341 4.184 4.527 -0.004 0.000 0.294 1687 F C 1.839 177.718 175.800 0.132 0.000 1.078 1687 F CA 2.038 60.096 58.000 0.097 0.000 1.247 1687 F CB -0.839 38.232 39.000 0.118 0.000 0.984 1687 F HN 0.288 nan 8.300 nan 0.000 0.491 1688 F N 0.571 120.519 119.950 -0.004 0.000 1.980 1688 F HA -0.210 4.315 4.527 -0.004 0.000 0.298 1688 F C 2.774 178.517 175.800 -0.094 0.000 1.255 1688 F CA 2.382 60.328 58.000 -0.089 0.000 1.179 1688 F CB -1.533 37.523 39.000 0.093 0.000 0.957 1688 F HN 0.065 nan 8.300 nan 0.000 0.507 1689 H N -0.394 118.701 119.070 0.042 0.000 2.421 1689 H HA -0.341 4.213 4.556 -0.004 0.000 0.287 1689 H C 2.002 177.084 175.328 -0.409 0.000 1.129 1689 H CA 1.415 57.346 56.048 -0.194 0.000 1.179 1689 H CB -0.504 29.263 29.762 0.008 0.000 1.352 1689 H HN 0.409 nan 8.280 nan 0.000 0.488 1690 N N 0.130 118.700 118.700 -0.217 0.000 1.997 1690 N HA -0.142 4.596 4.740 -0.004 0.000 0.198 1690 N C 2.320 177.586 175.510 -0.406 0.000 1.070 1690 N CA 2.116 54.983 53.050 -0.304 0.000 0.864 1690 N CB -0.901 37.492 38.487 -0.156 0.000 1.066 1690 N HN 0.275 nan 8.380 nan 0.000 0.425 1691 G N 0.649 109.178 108.800 -0.452 0.000 2.513 1691 G HA2 -0.363 3.595 3.960 -0.004 0.000 0.219 1691 G HA3 -0.363 3.595 3.960 -0.004 0.000 0.219 1691 G C 1.558 176.257 174.900 -0.334 0.000 1.160 1691 G CA 1.257 46.134 45.100 -0.371 0.000 0.767 1691 G HN 0.509 nan 8.290 nan 0.000 0.571 1692 M N 0.813 120.029 119.600 -0.640 0.000 2.144 1692 M HA -0.126 4.352 4.480 -0.004 0.000 0.260 1692 M C 2.492 178.417 176.300 -0.625 0.000 1.067 1692 M CA 2.129 56.887 55.300 -0.904 0.000 1.095 1692 M CB -0.238 31.538 32.600 -1.374 0.000 1.365 1692 M HN 0.509 nan 8.290 nan 0.000 0.406 1693 I N -3.174 117.121 120.570 -0.458 0.000 2.703 1693 I HA -0.124 4.044 4.170 -0.004 0.000 0.259 1693 I C 0.847 177.010 176.117 0.077 0.000 1.151 1693 I CA 0.832 62.030 61.300 -0.170 0.000 1.470 1693 I CB -0.550 37.305 38.000 -0.241 0.000 1.112 1693 I HN 0.110 nan 8.210 nan 0.000 0.437 1694 Y N 1.718 122.009 120.300 -0.015 0.000 2.485 1694 Y HA 0.313 4.861 4.550 -0.004 0.000 0.260 1694 Y C 0.086 176.008 175.900 0.037 0.000 1.173 1694 Y CA -1.529 56.545 58.100 -0.044 0.000 1.252 1694 Y CB -1.303 37.088 38.460 -0.115 0.000 1.123 1694 Y HN 0.305 nan 8.280 nan 0.000 0.524 1695 N N 0.659 119.500 118.700 0.236 0.000 2.671 1695 N HA -0.220 4.518 4.740 -0.004 0.000 0.261 1695 N C 0.499 176.129 175.510 0.199 0.000 1.053 1695 N CA 0.737 53.952 53.050 0.275 0.000 0.732 1695 N CB -0.715 37.930 38.487 0.264 0.000 0.887 1695 N HN 0.391 nan 8.380 nan 0.000 0.546 1696 K N -0.442 120.030 120.400 0.119 0.000 2.402 1696 K HA 0.175 4.493 4.320 -0.004 0.000 0.203 1696 K C -0.241 176.400 176.600 0.070 0.000 1.077 1696 K CA -0.263 56.083 56.287 0.098 0.000 1.051 1696 K CB 0.469 33.013 32.500 0.074 0.000 0.907 1696 K HN 0.137 nan 8.250 nan 0.000 0.554 1697 L N 1.954 123.181 121.223 0.007 0.000 2.578 1697 L HA 0.044 4.381 4.340 -0.004 0.000 0.279 1697 L C 0.166 177.208 176.870 0.285 0.000 1.227 1697 L CA 0.641 55.484 54.840 0.006 0.000 0.900 1697 L CB -0.880 41.156 42.059 -0.038 0.000 1.144 1697 L HN 0.128 nan 8.230 nan 0.000 0.496 1698 F N 2.556 122.590 119.950 0.139 0.000 2.149 1698 F HA 0.063 4.588 4.527 -0.004 0.000 0.497 1698 F C -0.794 175.094 175.800 0.147 0.000 1.282 1698 F CA 0.277 58.361 58.000 0.140 0.000 1.585 1698 F CB -0.351 38.706 39.000 0.095 0.000 2.847 1698 F HN 0.558 nan 8.300 nan 0.000 0.683 1699 V N 1.806 121.277 119.914 -0.738 0.000 3.204 1699 V HA 0.796 4.914 4.120 -0.004 0.000 0.298 1699 V C 0.139 175.869 176.094 -0.606 0.000 1.328 1699 V CA -0.551 61.470 62.300 -0.464 0.000 1.035 1699 V CB 1.101 32.870 31.823 -0.091 0.000 1.095 1699 V HN 1.178 nan 8.190 nan 0.000 0.442 1700 S N 1.721 117.236 115.700 -0.308 0.000 2.647 1700 S HA 0.376 4.844 4.470 -0.004 0.000 0.251 1700 S C 0.621 175.159 174.600 -0.102 0.000 1.320 1700 S CA 0.401 58.491 58.200 -0.183 0.000 0.968 1700 S CB 0.188 63.346 63.200 -0.071 0.000 1.005 1700 S HN 1.094 nan 8.310 nan 0.000 0.576 1701 K N -0.605 119.774 120.400 -0.036 0.000 3.157 1701 K HA 0.213 4.531 4.320 -0.004 0.000 0.227 1701 K C -0.784 175.784 176.600 -0.053 0.000 2.067 1701 K CA 0.231 56.545 56.287 0.046 0.000 1.439 1701 K CB -0.855 31.745 32.500 0.167 0.000 2.372 1701 K HN 0.533 nan 8.250 nan 0.000 0.557 1702 E N 1.026 121.184 120.200 -0.071 0.000 8.020 1702 E HA -0.221 4.126 4.350 -0.004 0.000 0.466 1702 E C -0.131 176.319 176.600 -0.249 0.000 0.748 1702 E CA 1.588 57.845 56.400 -0.238 0.000 1.303 1702 E CB -1.358 28.026 29.700 -0.526 0.000 0.984 1702 E HN 0.678 nan 8.360 nan 0.000 0.337 1703 H N -1.006 118.113 119.070 0.082 0.000 4.829 1703 H HA -0.222 4.332 4.556 -0.004 0.000 0.080 1703 H C 1.044 176.450 175.328 0.130 0.000 0.582 1703 H CA 1.946 58.036 56.048 0.069 0.000 1.075 1703 H CB -1.391 28.391 29.762 0.033 0.000 0.466 1703 H HN 1.865 nan 8.280 nan 0.000 0.746 1704 A N -0.072 122.926 122.820 0.296 0.000 6.506 1704 A HA -0.207 4.111 4.320 -0.004 0.000 0.234 1704 A C -1.426 176.304 177.584 0.243 0.000 2.257 1704 A CA 0.656 52.941 52.037 0.413 0.000 0.695 1704 A CB -1.524 17.736 19.000 0.433 0.000 0.929 1704 A HN 0.378 nan 8.150 nan 0.000 0.364 1705 P HA -0.052 nan 4.420 nan 0.000 0.208 1705 P C 1.070 178.369 177.300 -0.003 0.000 1.200 1705 P CA 2.312 65.334 63.100 -0.130 0.000 0.924 1705 P CB -0.532 30.897 31.700 -0.452 0.000 0.774 1706 Y N 0.646 120.868 120.300 -0.129 0.000 2.156 1706 Y HA 0.335 4.883 4.550 -0.004 0.000 0.403 1706 Y C 1.123 176.992 175.900 -0.052 0.000 1.239 1706 Y CA -0.666 57.368 58.100 -0.110 0.000 1.824 1706 Y CB -2.081 36.284 38.460 -0.158 0.000 1.526 1706 Y HN 0.097 nan 8.280 nan 0.000 0.750 1707 T N -1.563 113.102 114.554 0.185 0.000 3.337 1707 T HA 0.358 4.706 4.350 -0.004 0.000 0.321 1707 T C -0.398 174.308 174.700 0.010 0.000 0.852 1707 T CA -0.059 62.076 62.100 0.057 0.000 1.242 1707 T CB -0.575 68.314 68.868 0.035 0.000 0.979 1707 T HN 0.631 nan 8.240 nan 0.000 0.508 1708 D N 2.089 122.461 120.400 -0.046 0.000 4.058 1708 D HA -0.366 4.272 4.640 -0.004 0.000 0.383 1708 D C 1.465 177.762 176.300 -0.005 0.000 1.056 1708 D CA 2.666 56.640 54.000 -0.043 0.000 1.552 1708 D CB -0.630 40.153 40.800 -0.029 0.000 0.788 1708 D HN 0.806 nan 8.370 nan 0.000 0.636 1709 E N 0.218 120.422 120.200 0.007 0.000 2.085 1709 E HA -0.131 4.217 4.350 -0.004 0.000 0.194 1709 E C 2.407 179.032 176.600 0.041 0.000 0.994 1709 E CA 1.410 57.822 56.400 0.021 0.000 0.801 1709 E CB -0.243 29.466 29.700 0.015 0.000 0.743 1709 E HN 0.464 nan 8.360 nan 0.000 0.453 1710 L N 0.691 121.947 121.223 0.054 0.000 2.209 1710 L HA -0.018 4.320 4.340 -0.004 0.000 0.207 1710 L C 2.507 179.432 176.870 0.090 0.000 1.094 1710 L CA 0.479 55.362 54.840 0.071 0.000 0.790 1710 L CB -0.676 41.430 42.059 0.077 0.000 0.932 1710 L HN 0.138 nan 8.230 nan 0.000 0.447 1711 E N 1.459 121.715 120.200 0.093 0.000 2.223 1711 E HA -0.372 3.976 4.350 -0.004 0.000 0.249 1711 E C 1.785 178.510 176.600 0.208 0.000 1.008 1711 E CA 2.648 59.101 56.400 0.088 0.000 0.975 1711 E CB -0.164 29.506 29.700 -0.050 0.000 0.901 1711 E HN 0.457 nan 8.360 nan 0.000 0.537 1712 E N 0.274 120.642 120.200 0.280 0.000 2.181 1712 E HA -0.310 4.038 4.350 -0.004 0.000 0.225 1712 E C 1.906 178.675 176.600 0.282 0.000 1.073 1712 E CA 2.053 58.647 56.400 0.323 0.000 0.916 1712 E CB -0.477 29.312 29.700 0.148 0.000 0.793 1712 E HN 0.467 nan 8.360 nan 0.000 0.472 1713 D N 0.328 120.819 120.400 0.152 0.000 2.087 1713 D HA -0.132 4.506 4.640 -0.004 0.000 0.192 1713 D C 2.269 178.613 176.300 0.075 0.000 0.993 1713 D CA 1.431 55.491 54.000 0.101 0.000 0.828 1713 D CB -0.459 40.379 40.800 0.063 0.000 0.968 1713 D HN 0.059 nan 8.370 nan 0.000 0.448 1714 V N 0.891 120.809 119.914 0.008 0.000 2.363 1714 V HA -0.316 3.802 4.120 -0.004 0.000 0.254 1714 V C 2.115 178.157 176.094 -0.088 0.000 1.074 1714 V CA 1.640 63.880 62.300 -0.099 0.000 1.069 1714 V CB -1.085 30.598 31.823 -0.232 0.000 0.659 1714 V HN 0.211 nan 8.190 nan 0.000 0.455 1715 Y N 0.030 120.397 120.300 0.111 0.000 2.113 1715 Y HA -0.107 4.441 4.550 -0.004 0.000 0.269 1715 Y C 2.766 178.698 175.900 0.053 0.000 1.098 1715 Y CA 1.910 60.066 58.100 0.095 0.000 1.083 1715 Y CB -1.104 37.420 38.460 0.107 0.000 0.997 1715 Y HN 0.178 nan 8.280 nan 0.000 0.476 1716 L N 0.686 122.052 121.223 0.238 0.000 2.034 1716 L HA -0.196 4.142 4.340 -0.004 0.000 0.217 1716 L C 1.191 178.103 176.870 0.070 0.000 1.077 1716 L CA 2.492 57.406 54.840 0.123 0.000 0.769 1716 L CB -2.505 39.612 42.059 0.097 0.000 0.890 1716 L HN 0.454 nan 8.230 nan 0.000 0.435 1717 D N -0.559 119.874 120.400 0.054 0.000 2.367 1717 D HA 0.462 5.100 4.640 -0.004 0.000 0.255 1717 D C -0.295 176.006 176.300 0.003 0.000 1.300 1717 D CA -0.530 53.479 54.000 0.016 0.000 0.959 1717 D CB -0.707 40.098 40.800 0.008 0.000 1.064 1717 D HN 0.699 nan 8.370 nan 0.000 0.509 1718 P HA 0.135 nan 4.420 nan 0.000 0.220 1718 P C 1.319 178.602 177.300 -0.029 0.000 1.142 1718 P CA 1.894 64.982 63.100 -0.020 0.000 0.801 1718 P CB -1.061 30.608 31.700 -0.053 0.000 0.764 1719 L N -1.042 120.160 121.223 -0.036 0.000 2.894 1719 L HA 0.454 4.792 4.340 -0.004 0.000 0.286 1719 L C 1.270 178.120 176.870 -0.033 0.000 1.077 1719 L CA 0.089 54.907 54.840 -0.037 0.000 1.070 1719 L CB -2.383 39.658 42.059 -0.030 0.000 1.470 1719 L HN 0.668 nan 8.230 nan 0.000 0.452 1720 A N 3.247 126.044 122.820 -0.039 0.000 2.227 1720 A HA 0.860 5.178 4.320 -0.004 0.000 0.279 1720 A C 1.601 179.164 177.584 -0.036 0.000 1.367 1720 A CA 1.550 53.562 52.037 -0.040 0.000 0.824 1720 A CB -0.435 18.516 19.000 -0.082 0.000 1.214 1720 A HN 2.881 nan 8.150 nan 0.000 0.514 1721 R N -3.699 116.782 120.500 -0.031 0.000 3.156 1721 R HA 0.279 4.617 4.340 -0.004 0.000 0.569 1721 R C -0.151 176.146 176.300 -0.006 0.000 0.963 1721 R CA 1.773 57.870 56.100 -0.005 0.000 1.718 1721 R CB -2.484 27.799 30.300 -0.028 0.000 1.656 1721 R HN 2.657 nan 8.270 nan 0.000 0.549 1722 V N -0.691 119.231 119.914 0.013 0.000 2.668 1722 V HA 0.943 5.060 4.120 -0.004 0.000 0.304 1722 V C 0.490 176.562 176.094 -0.037 0.000 1.071 1722 V CA 0.350 62.630 62.300 -0.034 0.000 0.894 1722 V CB 1.607 33.417 31.823 -0.021 0.000 1.008 1722 V HN 2.369 nan 8.190 nan 0.000 0.425 1723 S N 2.678 118.323 115.700 -0.091 0.000 2.621 1723 S HA 0.988 5.455 4.470 -0.004 0.000 0.302 1723 S C 0.351 174.891 174.600 -0.099 0.000 1.093 1723 S CA -0.178 57.969 58.200 -0.089 0.000 1.017 1723 S CB 0.982 64.115 63.200 -0.112 0.000 1.077 1723 S HN 1.985 nan 8.310 nan 0.000 0.517 1724 K N -0.300 120.060 120.400 -0.068 0.000 2.336 1724 K HA 0.565 4.883 4.320 -0.004 0.000 0.262 1724 K C 0.275 176.843 176.600 -0.052 0.000 0.992 1724 K CA 0.683 56.938 56.287 -0.054 0.000 0.927 1724 K CB -1.003 31.478 32.500 -0.032 0.000 0.956 1724 K HN 1.281 nan 8.250 nan 0.000 0.495 1725 D N -0.432 119.956 120.400 -0.020 0.000 3.719 1725 D HA 0.630 5.268 4.640 -0.004 0.000 0.236 1725 D C 0.754 177.075 176.300 0.035 0.000 1.496 1725 D CA 0.347 54.364 54.000 0.029 0.000 1.057 1725 D CB -0.186 40.661 40.800 0.079 0.000 1.296 1725 D HN 0.850 nan 8.370 nan 0.000 0.627 1726 K N -0.819 119.610 120.400 0.048 0.000 3.101 1726 K HA 0.683 5.000 4.320 -0.004 0.000 0.229 1726 K C 0.603 177.212 176.600 0.016 0.000 1.232 1726 K CA 0.979 57.285 56.287 0.030 0.000 1.210 1726 K CB -0.522 31.998 32.500 0.033 0.000 1.284 1726 K HN 1.113 nan 8.250 nan 0.000 0.448 1727 K N -0.947 119.457 120.400 0.007 0.000 3.026 1727 K HA 0.533 4.850 4.320 -0.004 0.000 0.287 1727 K C 0.278 176.869 176.600 -0.015 0.000 2.775 1727 K CA 0.811 57.097 56.287 -0.002 0.000 1.542 1727 K CB -0.182 32.316 32.500 -0.003 0.000 3.003 1727 K HN 1.453 nan 8.250 nan 0.000 0.353 1728 S N -1.259 114.420 115.700 -0.034 0.000 2.597 1728 S HA 0.535 5.003 4.470 -0.004 0.000 0.274 1728 S C 0.572 175.119 174.600 -0.088 0.000 1.132 1728 S CA 0.157 58.325 58.200 -0.053 0.000 0.835 1728 S CB 0.815 63.981 63.200 -0.058 0.000 1.092 1728 S HN 1.978 nan 8.310 nan 0.000 0.457 1729 G N 1.184 109.936 108.800 -0.081 0.000 2.635 1729 G HA2 0.367 4.324 3.960 -0.004 0.000 0.264 1729 G HA3 0.367 4.324 3.960 -0.004 0.000 0.264 1729 G C 0.226 175.031 174.900 -0.158 0.000 0.583 1729 G CA 0.519 45.566 45.100 -0.087 0.000 1.071 1729 G HN 2.218 nan 8.290 nan 0.000 0.270 1730 S N 1.811 117.436 115.700 -0.125 0.000 2.484 1730 S HA 0.185 4.653 4.470 -0.004 0.000 0.330 1730 S C -0.494 174.029 174.600 -0.129 0.000 0.882 1730 S CA -1.047 57.061 58.200 -0.154 0.000 0.851 1730 S CB -0.251 62.862 63.200 -0.145 0.000 1.146 1730 S HN 1.013 nan 8.310 nan 0.000 0.466 1731 L N 2.773 123.909 121.223 -0.146 0.000 2.906 1731 L HA 0.026 4.364 4.340 -0.004 0.000 0.292 1731 L C 1.151 177.938 176.870 -0.138 0.000 1.130 1731 L CA 0.982 55.735 54.840 -0.145 0.000 0.940 1731 L CB -0.310 41.645 42.059 -0.175 0.000 1.336 1731 L HN 0.855 nan 8.230 nan 0.000 0.469 1732 T N 4.614 119.031 114.554 -0.229 0.000 2.767 1732 T HA 0.482 4.830 4.350 -0.004 0.000 0.288 1732 T C 0.678 175.086 174.700 -0.488 0.000 0.963 1732 T CA -0.701 61.139 62.100 -0.432 0.000 1.019 1732 T CB 0.140 68.559 68.868 -0.748 0.000 0.923 1732 T HN 0.311 nan 8.240 nan 0.000 0.468 1733 F N 3.523 123.461 119.950 -0.020 0.000 1.511 1733 F HA -0.278 4.246 4.527 -0.004 0.000 0.071 1733 F C 1.611 177.405 175.800 -0.010 0.000 0.191 1733 F CA 0.746 58.738 58.000 -0.013 0.000 0.331 1733 F CB -0.955 38.038 39.000 -0.012 0.000 0.717 1733 F HN 0.607 nan 8.300 nan 0.000 0.667 1734 N N 0.038 118.889 118.700 0.252 0.000 2.521 1734 N HA -0.039 4.699 4.740 -0.004 0.000 0.188 1734 N C 1.624 177.184 175.510 0.083 0.000 1.146 1734 N CA 0.863 53.984 53.050 0.119 0.000 0.893 1734 N CB -0.106 38.446 38.487 0.109 0.000 0.975 1734 N HN 0.657 nan 8.380 nan 0.000 0.451 1735 S N 1.751 117.507 115.700 0.093 0.000 2.310 1735 S HA 0.028 4.496 4.470 -0.004 0.000 0.201 1735 S C 1.638 176.197 174.600 -0.068 0.000 1.032 1735 S CA 0.444 58.662 58.200 0.029 0.000 0.993 1735 S CB -0.294 62.949 63.200 0.072 0.000 0.970 1735 S HN -0.105 nan 8.310 nan 0.000 0.446 1736 K N 2.361 122.651 120.400 -0.182 0.000 2.520 1736 K HA 0.134 4.452 4.320 -0.004 0.000 0.197 1736 K C 0.234 176.774 176.600 -0.101 0.000 1.044 1736 K CA 0.549 56.746 56.287 -0.150 0.000 0.938 1736 K CB -0.949 31.423 32.500 -0.213 0.000 0.767 1736 K HN 0.478 nan 8.250 nan 0.000 0.481 1737 N N -0.865 117.784 118.700 -0.084 0.000 3.993 1737 N HA 0.031 4.769 4.740 -0.004 0.000 0.204 1737 N C -1.189 174.310 175.510 -0.018 0.000 1.071 1737 N CA -0.305 52.716 53.050 -0.047 0.000 1.076 1737 N CB 0.800 39.251 38.487 -0.061 0.000 1.644 1737 N HN -0.117 nan 8.380 nan 0.000 0.650 1738 I N 2.471 123.040 120.570 -0.002 0.000 3.679 1738 I HA 0.064 4.232 4.170 -0.004 0.000 0.370 1738 I C -0.005 176.118 176.117 0.010 0.000 1.123 1738 I CA 0.672 61.981 61.300 0.015 0.000 1.034 1738 I CB -0.732 37.286 38.000 0.031 0.000 2.718 1738 I HN 0.816 nan 8.210 nan 0.000 0.830 1739 Q N -0.008 119.792 119.800 0.000 0.000 2.589 1739 Q HA -0.138 4.199 4.340 -0.004 0.000 0.154 1739 Q C 0.416 176.425 176.000 0.014 0.000 0.562 1739 Q CA 0.935 56.736 55.803 -0.002 0.000 1.260 1739 Q CB -1.323 27.412 28.738 -0.005 0.000 0.984 1739 Q HN 0.486 nan 8.270 nan 0.000 1.098 1740 S N 1.212 116.923 115.700 0.018 0.000 4.620 1740 S HA -0.248 4.220 4.470 -0.004 0.000 0.552 1740 S C 1.293 175.917 174.600 0.040 0.000 0.994 1740 S CA 0.922 59.138 58.200 0.026 0.000 0.991 1740 S CB 0.386 63.595 63.200 0.015 0.000 1.522 1740 S HN 0.265 nan 8.310 nan 0.000 0.402 1741 K N 3.659 124.090 120.400 0.052 0.000 2.227 1741 K HA -0.223 4.095 4.320 -0.004 0.000 0.208 1741 K C 0.806 177.442 176.600 0.059 0.000 1.045 1741 K CA 2.213 58.542 56.287 0.070 0.000 0.931 1741 K CB -0.657 31.874 32.500 0.051 0.000 0.721 1741 K HN 0.780 nan 8.250 nan 0.000 0.469 1742 D N 0.332 120.754 120.400 0.037 0.000 2.413 1742 D HA -0.021 4.617 4.640 -0.004 0.000 0.262 1742 D C -0.644 175.675 176.300 0.030 0.000 1.254 1742 D CA 0.468 54.483 54.000 0.025 0.000 0.942 1742 D CB 0.031 40.838 40.800 0.012 0.000 0.937 1742 D HN -0.087 nan 8.370 nan 0.000 0.508 1743 S N -0.313 115.423 115.700 0.060 0.000 2.599 1743 S HA 0.262 4.730 4.470 -0.004 0.000 0.269 1743 S C -0.766 173.942 174.600 0.180 0.000 1.135 1743 S CA -0.781 57.463 58.200 0.073 0.000 1.027 1743 S CB 1.193 64.413 63.200 0.034 0.000 1.129 1743 S HN 0.280 nan 8.310 nan 0.000 0.458 1887 ? N 0.000 9999.000 9999.000 -0.001 0.000 0.000 1887 ? HA 0.000 9999.000 9999.000 -0.004 0.000 0.000 1887 ? CA 0.000 9999.000 9999.000 -0.001 0.000 0.000 1887 ? CB 0.000 9999.000 9999.000 -0.001 0.000 0.000 1887 ? HN 0.000 nan 9999.000 nan 0.000 0.000