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 2ec5_1_A DATA FIRST_RESID 575 DATA SEQUENCE LGGSPYSPFR IGLEGVWTPE VLKARASVIG KPIGESYKRI LAKLQRIHNS DATA SEQUENCE NILDERQGLM HELMELIDLY EESQPSSERL NAFRELRTQL EKALYLPEME DATA SEQUENCE ALKKQILQIP NKGSGAARFL LRTAMNEMAG KTSESTADLI RFALQDTVIS DATA SEQUENCE APFRGYAGAI PEAIDFPVKY VIEDISVFDK IQTNYWELPA YESWNEGSNS DATA SEQUENCE ALLPGLLRES QSKGMLSKCR IIENSLYIGH SYEEMFYSIS PYSNQVGGPY DATA SEQUENCE ELYPFTFFSM LQEVQGDLGF EQAFATRNFF NTLVSDRLSL MENTMLLTES DATA SEQUENCE FDYTPWDAIY GDINYDEQFA AMSINERIEK CMNTYRGVAF QNSSKSIDFF DATA SEQUENCE LNNLTTFIDN GLTEIAISDL PYDIVQQEIS QFLQGSNEWK TLDAMLFNLD DATA SEQUENCE KGDINGAFRK LLQSAKDNNI KFRAIGHSDN SVPPFNNPYK SLYYKGNIIA DATA SEQUENCE EAIEKLDREG QKFVVFADSS LLNSTPGTGR PMPGLVQYLK IPATVVDSDG DATA SEQUENCE AWQFLPDVAS SRVPIEVTEL ENWQVLTPPQ GKILGLKQFK LTAGFPTEQS DATA SEQUENCE RLPLLENSVS EDLREELMQK IDAIKNDVKM NSLVSMEAGS CDSVSPKVAA DATA SEQUENCE RLKDMGLEAG MGASITWWRR EGGMEFSHQM HTTASFKFAG KEFAVDASHL DATA SEQUENCE QFVHDQLDTT ILILPVDDWA LEIAQRNRAI NPFVEYVSKT GNMLALFMPP DATA SEQUENCE LFTKPRLTRA L 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 575 L HA 0.000 nan 4.340 nan 0.000 0.249 575 L C 0.000 176.953 176.870 0.138 0.000 1.165 575 L CA 0.000 54.916 54.840 0.127 0.000 0.813 575 L CB 0.000 42.113 42.059 0.090 0.000 0.961 576 G N -0.593 108.335 108.800 0.213 0.000 2.673 576 G HA2 0.588 4.583 3.960 0.058 0.000 0.292 576 G HA3 0.588 4.583 3.960 0.058 0.000 0.292 576 G C -1.262 173.706 174.900 0.113 0.000 1.450 576 G CA 0.128 45.335 45.100 0.179 0.000 0.837 576 G HN 0.797 nan 8.290 nan 0.000 0.505 577 G N -0.856 107.982 108.800 0.062 0.000 2.702 577 G HA2 0.907 4.902 3.960 0.058 0.000 0.296 577 G HA3 0.907 4.902 3.960 0.058 0.000 0.296 577 G C -0.672 174.233 174.900 0.008 0.000 1.463 577 G CA 0.619 45.734 45.100 0.026 0.000 0.890 577 G HN 2.021 nan 8.290 nan 0.000 0.534 578 S N 0.606 116.302 115.700 -0.007 0.000 2.645 578 S HA 0.702 5.206 4.470 0.058 0.000 0.268 578 S C -2.840 171.727 174.600 -0.054 0.000 1.110 578 S CA -0.716 57.466 58.200 -0.030 0.000 0.823 578 S CB 1.794 64.972 63.200 -0.038 0.000 1.091 578 S HN 0.689 nan 8.310 nan 0.000 0.466 579 P HA 0.377 nan 4.420 nan 0.000 0.269 579 P C -0.258 176.855 177.300 -0.313 0.000 1.478 579 P CA 0.038 63.003 63.100 -0.225 0.000 1.045 579 P CB -0.415 31.112 31.700 -0.290 0.000 1.512 580 Y N -0.669 119.614 120.300 -0.029 0.000 2.478 580 Y HA 0.159 4.744 4.550 0.058 0.000 0.261 580 Y C 1.549 177.373 175.900 -0.126 0.000 1.127 580 Y CA -0.285 57.773 58.100 -0.069 0.000 1.288 580 Y CB 0.381 38.826 38.460 -0.025 0.000 1.084 580 Y HN -0.067 nan 8.280 nan 0.000 0.530 581 S N 2.282 117.994 115.700 0.021 0.000 2.560 581 S HA 0.022 4.527 4.470 0.058 0.000 0.284 581 S C -1.281 173.232 174.600 -0.145 0.000 1.327 581 S CA -1.249 56.918 58.200 -0.056 0.000 1.055 581 S CB 0.726 63.925 63.200 -0.001 0.000 0.868 581 S HN 0.109 nan 8.310 nan 0.000 0.506 582 P HA 0.061 nan 4.420 nan 0.000 0.236 582 P C 0.169 177.314 177.300 -0.259 0.000 1.177 582 P CA 0.880 63.768 63.100 -0.353 0.000 0.773 582 P CB -0.091 31.317 31.700 -0.487 0.000 0.878 583 F N 0.575 120.544 119.950 0.031 0.000 2.837 583 F HA 0.324 4.886 4.527 0.058 0.000 0.298 583 F C 2.054 177.836 175.800 -0.029 0.000 1.161 583 F CA -0.868 57.126 58.000 -0.009 0.000 1.353 583 F CB 0.036 39.038 39.000 0.004 0.000 0.951 583 F HN -0.162 nan 8.300 nan 0.000 0.508 584 R N 0.782 121.333 120.500 0.085 0.000 2.236 584 R HA 0.045 4.420 4.340 0.058 0.000 0.208 584 R C 0.778 177.083 176.300 0.008 0.000 1.036 584 R CA 0.499 56.617 56.100 0.030 0.000 1.001 584 R CB -0.373 29.916 30.300 -0.018 0.000 0.896 584 R HN 0.368 nan 8.270 nan 0.000 0.464 585 I N 1.712 122.288 120.570 0.009 0.000 6.673 585 I HA -0.246 3.959 4.170 0.058 0.000 0.126 585 I C 0.603 176.687 176.117 -0.054 0.000 1.823 585 I CA 0.631 61.912 61.300 -0.032 0.000 2.064 585 I CB -1.312 36.664 38.000 -0.040 0.000 3.515 585 I HN 0.500 nan 8.210 nan 0.000 0.178 586 G N 1.024 109.794 108.800 -0.050 0.000 2.667 586 G HA2 0.466 4.461 3.960 0.058 0.000 0.250 586 G HA3 0.466 4.461 3.960 0.058 0.000 0.250 586 G C 0.610 175.467 174.900 -0.072 0.000 1.212 586 G CA -0.471 44.596 45.100 -0.055 0.000 0.874 586 G HN 0.398 nan 8.290 nan 0.000 0.561 587 L N -0.280 120.905 121.223 -0.063 0.000 2.966 587 L HA 0.163 4.538 4.340 0.058 0.000 0.262 587 L C 1.861 178.741 176.870 0.016 0.000 1.165 587 L CA 0.045 54.839 54.840 -0.077 0.000 0.978 587 L CB 0.354 42.316 42.059 -0.163 0.000 1.337 587 L HN 0.509 nan 8.230 nan 0.000 0.563 588 E N 0.838 121.047 120.200 0.015 0.000 2.267 588 E HA -0.133 4.252 4.350 0.058 0.000 0.197 588 E C 1.905 178.532 176.600 0.046 0.000 0.998 588 E CA 1.223 57.648 56.400 0.041 0.000 0.830 588 E CB -0.300 29.412 29.700 0.019 0.000 0.751 588 E HN 0.355 nan 8.360 nan 0.000 0.491 589 G N 0.209 109.015 108.800 0.010 0.000 3.337 589 G HA2 0.246 4.241 3.960 0.058 0.000 0.246 589 G HA3 0.246 4.241 3.960 0.058 0.000 0.246 589 G C -0.257 174.607 174.900 -0.059 0.000 1.131 589 G CA -0.314 44.775 45.100 -0.018 0.000 0.773 589 G HN 0.055 nan 8.290 nan 0.000 0.544 590 V N 1.423 121.342 119.914 0.009 0.000 2.409 590 V HA 0.348 4.503 4.120 0.058 0.000 0.291 590 V C -0.136 176.105 176.094 0.246 0.000 1.020 590 V CA -1.651 60.659 62.300 0.017 0.000 0.848 590 V CB 0.940 32.753 31.823 -0.018 0.000 0.990 590 V HN 0.227 nan 8.190 nan 0.000 0.430 591 W N 2.960 124.332 121.300 0.120 0.000 2.345 591 W HA 0.148 4.843 4.660 0.058 0.000 0.346 591 W C 1.101 177.650 176.519 0.050 0.000 1.243 591 W CA -0.068 57.323 57.345 0.077 0.000 1.327 591 W CB -0.018 29.474 29.460 0.054 0.000 1.187 591 W HN 0.716 nan 8.180 nan 0.000 0.588 592 T N -0.427 114.175 114.554 0.079 0.000 2.902 592 T HA 0.270 4.655 4.350 0.058 0.000 0.280 592 T C -1.650 173.004 174.700 -0.077 0.000 0.992 592 T CA -1.693 60.230 62.100 -0.295 0.000 1.015 592 T CB 1.829 70.510 68.868 -0.311 0.000 1.044 592 T HN 0.020 nan 8.240 nan 0.000 0.520 593 P HA -0.153 nan 4.420 nan 0.000 0.216 593 P C 1.491 178.758 177.300 -0.056 0.000 1.157 593 P CA 1.211 64.287 63.100 -0.040 0.000 0.880 593 P CB 0.061 31.723 31.700 -0.064 0.000 0.791 594 E N -0.452 119.696 120.200 -0.086 0.000 2.086 594 E HA -0.175 4.210 4.350 0.058 0.000 0.200 594 E C 1.763 178.296 176.600 -0.112 0.000 1.012 594 E CA 1.453 57.800 56.400 -0.088 0.000 0.812 594 E CB -1.048 28.600 29.700 -0.086 0.000 0.743 594 E HN -0.027 nan 8.360 nan 0.000 0.453 595 V N 0.688 120.520 119.914 -0.137 0.000 2.548 595 V HA -0.168 3.986 4.120 0.058 0.000 0.249 595 V C 2.417 178.262 176.094 -0.415 0.000 1.055 595 V CA 1.348 63.480 62.300 -0.280 0.000 1.065 595 V CB -0.464 31.180 31.823 -0.299 0.000 0.681 595 V HN 0.337 nan 8.190 nan 0.000 0.462 596 L N -0.089 121.027 121.223 -0.178 0.000 2.017 596 L HA -0.197 4.178 4.340 0.058 0.000 0.208 596 L C 2.698 179.571 176.870 0.004 0.000 1.073 596 L CA 1.883 56.697 54.840 -0.043 0.000 0.745 596 L CB -0.334 41.853 42.059 0.215 0.000 0.894 596 L HN 0.311 nan 8.230 nan 0.000 0.432 597 K N -0.455 119.961 120.400 0.028 0.000 2.103 597 K HA -0.194 4.161 4.320 0.058 0.000 0.207 597 K C 2.013 178.611 176.600 -0.004 0.000 1.048 597 K CA 1.442 57.770 56.287 0.069 0.000 0.930 597 K CB -0.181 32.316 32.500 -0.004 0.000 0.716 597 K HN 0.389 nan 8.250 nan 0.000 0.444 598 A N 1.290 124.050 122.820 -0.100 0.000 1.897 598 A HA -0.094 4.261 4.320 0.058 0.000 0.215 598 A C 2.015 179.501 177.584 -0.164 0.000 1.181 598 A CA 1.000 52.961 52.037 -0.126 0.000 0.620 598 A CB -0.118 18.788 19.000 -0.157 0.000 0.821 598 A HN 0.080 nan 8.150 nan 0.000 0.443 599 R N -0.363 119.967 120.500 -0.284 0.000 2.093 599 R HA 0.107 4.482 4.340 0.058 0.000 0.224 599 R C 2.011 178.223 176.300 -0.147 0.000 1.101 599 R CA 1.296 57.201 56.100 -0.325 0.000 0.979 599 R CB -1.076 28.730 30.300 -0.824 0.000 0.877 599 R HN 0.471 nan 8.270 nan 0.000 0.441 600 A N 0.814 123.592 122.820 -0.070 0.000 2.251 600 A HA 0.054 4.409 4.320 0.058 0.000 0.209 600 A C 0.878 178.410 177.584 -0.087 0.000 1.187 600 A CA -0.077 51.914 52.037 -0.078 0.000 0.823 600 A CB -0.103 18.891 19.000 -0.011 0.000 0.846 600 A HN 0.176 nan 8.150 nan 0.000 0.486 601 S N 0.294 115.978 115.700 -0.027 0.000 2.626 601 S HA 0.204 4.709 4.470 0.058 0.000 0.303 601 S C -0.240 174.337 174.600 -0.038 0.000 1.256 601 S CA 0.589 58.785 58.200 -0.008 0.000 1.069 601 S CB 0.179 63.368 63.200 -0.018 0.000 0.807 601 S HN 1.001 nan 8.310 nan 0.000 0.500 602 V N 7.620 127.520 119.914 -0.023 0.000 2.569 602 V HA 0.473 4.628 4.120 0.058 0.000 0.301 602 V C -0.330 175.759 176.094 -0.008 0.000 1.044 602 V CA -1.004 61.277 62.300 -0.031 0.000 0.874 602 V CB 1.518 33.308 31.823 -0.055 0.000 1.002 602 V HN 0.919 nan 8.190 nan 0.000 0.424 603 I N 7.474 128.037 120.570 -0.011 0.000 2.741 603 I HA 0.364 4.569 4.170 0.058 0.000 0.288 603 I C 1.617 177.734 176.117 -0.000 0.000 1.192 603 I CA 1.813 63.110 61.300 -0.004 0.000 1.426 603 I CB 0.403 38.398 38.000 -0.008 0.000 1.367 603 I HN 1.054 nan 8.210 nan 0.000 0.563 604 G N 4.818 113.621 108.800 0.006 0.000 2.336 604 G HA2 -0.290 3.705 3.960 0.058 0.000 0.233 604 G HA3 -0.290 3.705 3.960 0.058 0.000 0.233 604 G C 0.257 175.167 174.900 0.017 0.000 1.053 604 G CA -0.275 44.830 45.100 0.008 0.000 0.625 604 G HN 0.521 nan 8.290 nan 0.000 0.511 605 K N 2.754 123.166 120.400 0.021 0.000 2.253 605 K HA 0.543 4.898 4.320 0.058 0.000 0.277 605 K C -1.829 174.809 176.600 0.064 0.000 1.053 605 K CA -1.420 54.888 56.287 0.035 0.000 0.892 605 K CB 1.761 34.277 32.500 0.026 0.000 1.102 605 K HN 0.303 nan 8.250 nan 0.000 0.469 606 P HA 0.162 nan 4.420 nan 0.000 0.276 606 P C -0.273 177.116 177.300 0.149 0.000 1.261 606 P CA -0.502 62.651 63.100 0.088 0.000 0.800 606 P CB 0.661 32.397 31.700 0.059 0.000 1.066 607 I N 0.661 121.325 120.570 0.156 0.000 2.671 607 I HA 0.082 4.287 4.170 0.058 0.000 0.285 607 I C 1.495 177.715 176.117 0.171 0.000 1.148 607 I CA 0.286 61.715 61.300 0.215 0.000 1.386 607 I CB -0.447 37.540 38.000 -0.023 0.000 1.406 607 I HN 0.391 nan 8.210 nan 0.000 0.540 608 G N 4.032 112.981 108.800 0.248 0.000 2.547 608 G HA2 0.113 4.108 3.960 0.058 0.000 0.291 608 G HA3 0.113 4.108 3.960 0.058 0.000 0.291 608 G C 0.706 175.717 174.900 0.184 0.000 1.211 608 G CA -0.293 44.918 45.100 0.186 0.000 0.950 608 G HN 0.629 nan 8.290 nan 0.000 0.504 609 E N -0.008 120.275 120.200 0.139 0.000 2.097 609 E HA -0.141 4.244 4.350 0.058 0.000 0.196 609 E C 2.671 179.362 176.600 0.152 0.000 1.000 609 E CA 1.859 58.328 56.400 0.114 0.000 0.804 609 E CB -0.378 29.373 29.700 0.084 0.000 0.740 609 E HN 0.325 nan 8.360 nan 0.000 0.454 610 S N -0.905 114.930 115.700 0.225 0.000 2.356 610 S HA -0.152 4.353 4.470 0.058 0.000 0.223 610 S C 1.767 176.538 174.600 0.284 0.000 1.032 610 S CA 1.140 59.513 58.200 0.288 0.000 1.005 610 S CB -0.564 62.922 63.200 0.477 0.000 0.867 610 S HN 0.519 nan 8.310 nan 0.000 0.449 611 Y N 1.768 122.163 120.300 0.159 0.000 2.224 611 Y HA -0.174 4.410 4.550 0.058 0.000 0.289 611 Y C 2.511 178.423 175.900 0.021 0.000 1.146 611 Y CA 1.469 59.624 58.100 0.092 0.000 1.182 611 Y CB -0.063 38.502 38.460 0.174 0.000 0.983 611 Y HN 0.165 nan 8.280 nan 0.000 0.524 612 K N 0.300 120.747 120.400 0.079 0.000 2.032 612 K HA -0.201 4.154 4.320 0.058 0.000 0.209 612 K C 2.087 178.671 176.600 -0.027 0.000 1.048 612 K CA 1.293 57.552 56.287 -0.047 0.000 0.927 612 K CB -0.036 32.458 32.500 -0.010 0.000 0.712 612 K HN 0.198 nan 8.250 nan 0.000 0.441 613 R N 0.366 120.878 120.500 0.020 0.000 2.115 613 R HA -0.051 4.324 4.340 0.058 0.000 0.230 613 R C 2.286 178.576 176.300 -0.016 0.000 1.111 613 R CA 0.967 57.071 56.100 0.007 0.000 0.976 613 R CB -0.381 29.936 30.300 0.029 0.000 0.870 613 R HN 0.353 nan 8.270 nan 0.000 0.445 614 I N 0.687 121.240 120.570 -0.028 0.000 2.286 614 I HA -0.245 3.960 4.170 0.058 0.000 0.245 614 I C 2.211 178.283 176.117 -0.074 0.000 1.104 614 I CA 1.017 62.260 61.300 -0.095 0.000 1.397 614 I CB -0.158 37.692 38.000 -0.250 0.000 1.072 614 I HN 0.040 nan 8.210 nan 0.000 0.417 615 L N 0.335 121.516 121.223 -0.070 0.000 2.056 615 L HA -0.184 4.191 4.340 0.058 0.000 0.207 615 L C 2.825 179.665 176.870 -0.050 0.000 1.078 615 L CA 1.348 56.139 54.840 -0.081 0.000 0.749 615 L CB -0.757 41.189 42.059 -0.189 0.000 0.901 615 L HN 0.217 nan 8.230 nan 0.000 0.433 616 A N 0.185 122.976 122.820 -0.049 0.000 1.883 616 A HA -0.290 4.065 4.320 0.058 0.000 0.217 616 A C 2.321 179.899 177.584 -0.010 0.000 1.186 616 A CA 2.258 54.279 52.037 -0.027 0.000 0.624 616 A CB -0.464 18.522 19.000 -0.023 0.000 0.822 616 A HN 0.255 nan 8.150 nan 0.000 0.444 617 K N -0.179 120.213 120.400 -0.013 0.000 2.057 617 K HA 0.035 4.390 4.320 0.058 0.000 0.206 617 K C 1.830 178.437 176.600 0.012 0.000 1.050 617 K CA 1.152 57.435 56.287 -0.006 0.000 0.935 617 K CB -0.492 31.997 32.500 -0.018 0.000 0.715 617 K HN 0.433 nan 8.250 nan 0.000 0.439 618 L N 0.434 121.670 121.223 0.022 0.000 2.042 618 L HA -0.252 4.123 4.340 0.058 0.000 0.210 618 L C 2.396 179.357 176.870 0.151 0.000 1.076 618 L CA 1.761 56.654 54.840 0.089 0.000 0.749 618 L CB -0.369 41.744 42.059 0.092 0.000 0.893 618 L HN 0.381 nan 8.230 nan 0.000 0.432 619 Q N 0.305 120.151 119.800 0.077 0.000 2.061 619 Q HA -0.242 4.133 4.340 0.058 0.000 0.204 619 Q C 2.200 178.247 176.000 0.078 0.000 0.984 619 Q CA 1.883 57.727 55.803 0.068 0.000 0.846 619 Q CB -0.120 28.627 28.738 0.015 0.000 0.902 619 Q HN 0.312 nan 8.270 nan 0.000 0.421 620 R N -0.432 120.095 120.500 0.045 0.000 2.127 620 R HA -0.106 4.269 4.340 0.058 0.000 0.238 620 R C 2.353 178.668 176.300 0.025 0.000 1.134 620 R CA 1.482 57.600 56.100 0.030 0.000 0.975 620 R CB -0.460 29.849 30.300 0.014 0.000 0.865 620 R HN 0.366 nan 8.270 nan 0.000 0.447 621 I N -0.231 120.353 120.570 0.023 0.000 2.179 621 I HA -0.298 3.907 4.170 0.058 0.000 0.242 621 I C 2.150 178.214 176.117 -0.088 0.000 1.088 621 I CA 1.352 62.624 61.300 -0.047 0.000 1.357 621 I CB -0.373 37.577 38.000 -0.084 0.000 1.051 621 I HN 0.274 nan 8.210 nan 0.000 0.409 622 H N 0.614 119.682 119.070 -0.003 0.000 2.495 622 H HA 0.022 4.613 4.556 0.058 0.000 0.287 622 H C 0.974 176.300 175.328 -0.002 0.000 1.033 622 H CA 0.767 56.816 56.048 0.000 0.000 1.307 622 H CB -0.023 29.744 29.762 0.008 0.000 1.401 622 H HN 0.384 nan 8.280 nan 0.000 0.555 623 N N 0.499 119.254 118.700 0.092 0.000 2.268 623 N HA -0.040 4.735 4.740 0.058 0.000 0.204 623 N C 0.096 175.618 175.510 0.020 0.000 1.124 623 N CA 0.117 53.197 53.050 0.049 0.000 0.838 623 N CB 0.650 39.161 38.487 0.040 0.000 0.994 623 N HN -0.039 nan 8.380 nan 0.000 0.489 624 S N 0.759 116.462 115.700 0.005 0.000 2.410 624 S HA 0.287 4.792 4.470 0.058 0.000 0.304 624 S C 0.801 175.394 174.600 -0.013 0.000 1.095 624 S CA -0.589 57.607 58.200 -0.008 0.000 1.089 624 S CB 0.355 63.544 63.200 -0.019 0.000 0.968 624 S HN 0.089 nan 8.310 nan 0.000 0.480 625 N N 3.867 122.563 118.700 -0.006 0.000 2.388 625 N HA 0.205 4.980 4.740 0.058 0.000 0.176 625 N C -0.031 175.474 175.510 -0.009 0.000 1.062 625 N CA 0.383 53.429 53.050 -0.007 0.000 0.895 625 N CB 0.138 38.623 38.487 -0.003 0.000 1.018 625 N HN 0.591 nan 8.380 nan 0.000 0.456 626 I N 1.989 122.555 120.570 -0.007 0.000 2.337 626 I HA 0.006 4.211 4.170 0.058 0.000 0.291 626 I C 1.053 177.164 176.117 -0.010 0.000 1.046 626 I CA -0.441 60.855 61.300 -0.006 0.000 1.324 626 I CB 1.076 39.075 38.000 -0.002 0.000 1.409 626 I HN -0.159 nan 8.210 nan 0.000 0.494 627 L N 5.030 126.246 121.223 -0.012 0.000 2.043 627 L HA -0.238 4.137 4.340 0.058 0.000 0.212 627 L C 1.944 178.803 176.870 -0.018 0.000 1.075 627 L CA 1.829 56.659 54.840 -0.016 0.000 0.752 627 L CB -0.838 41.216 42.059 -0.008 0.000 0.891 627 L HN 0.648 nan 8.230 nan 0.000 0.432 628 D N -0.955 119.435 120.400 -0.015 0.000 2.178 628 D HA -0.162 4.513 4.640 0.058 0.000 0.202 628 D C 2.046 178.346 176.300 -0.000 0.000 0.974 628 D CA 0.916 54.907 54.000 -0.015 0.000 0.841 628 D CB 0.184 40.974 40.800 -0.018 0.000 0.953 628 D HN 0.413 nan 8.370 nan 0.000 0.478 629 E N -0.161 120.039 120.200 0.001 0.000 2.072 629 E HA -0.148 4.237 4.350 0.058 0.000 0.190 629 E C 2.175 178.777 176.600 0.003 0.000 0.982 629 E CA 0.312 56.716 56.400 0.007 0.000 0.803 629 E CB -0.034 29.669 29.700 0.006 0.000 0.755 629 E HN 0.204 nan 8.360 nan 0.000 0.453 630 R N 1.272 121.764 120.500 -0.013 0.000 2.083 630 R HA -0.241 4.134 4.340 0.058 0.000 0.237 630 R C 2.527 178.809 176.300 -0.032 0.000 1.137 630 R CA 2.225 58.306 56.100 -0.031 0.000 0.951 630 R CB -0.081 30.188 30.300 -0.051 0.000 0.851 630 R HN 0.156 nan 8.270 nan 0.000 0.434 631 Q N -0.766 119.021 119.800 -0.021 0.000 2.084 631 Q HA -0.034 4.341 4.340 0.058 0.000 0.202 631 Q C 1.939 178.010 176.000 0.117 0.000 0.978 631 Q CA 1.813 57.612 55.803 -0.006 0.000 0.844 631 Q CB -0.904 27.828 28.738 -0.011 0.000 0.898 631 Q HN 0.352 nan 8.270 nan 0.000 0.426 632 G N 1.408 110.276 108.800 0.112 0.000 2.476 632 G HA2 -0.233 3.762 3.960 0.058 0.000 0.218 632 G HA3 -0.233 3.762 3.960 0.058 0.000 0.218 632 G C 1.428 176.393 174.900 0.108 0.000 1.164 632 G CA 1.148 46.327 45.100 0.132 0.000 0.768 632 G HN 0.331 nan 8.290 nan 0.000 0.560 633 L N -0.376 120.876 121.223 0.048 0.000 2.093 633 L HA 0.027 4.402 4.340 0.058 0.000 0.208 633 L C 3.068 179.942 176.870 0.007 0.000 1.085 633 L CA 0.811 55.665 54.840 0.023 0.000 0.755 633 L CB -0.255 41.804 42.059 0.001 0.000 0.904 633 L HN 0.223 nan 8.230 nan 0.000 0.435 634 M N -1.375 118.209 119.600 -0.027 0.000 2.159 634 M HA -0.209 4.306 4.480 0.058 0.000 0.263 634 M C 2.196 178.443 176.300 -0.089 0.000 1.063 634 M CA 1.691 56.938 55.300 -0.090 0.000 1.110 634 M CB -0.515 31.988 32.600 -0.162 0.000 1.374 634 M HN 0.233 nan 8.290 nan 0.000 0.411 635 H N -0.213 118.865 119.070 0.013 0.000 2.387 635 H HA -0.119 4.472 4.556 0.058 0.000 0.299 635 H C 1.964 177.303 175.328 0.018 0.000 1.090 635 H CA 1.597 57.665 56.048 0.034 0.000 1.332 635 H CB 0.028 29.820 29.762 0.049 0.000 1.386 635 H HN 0.422 nan 8.280 nan 0.000 0.516 636 E N 0.361 120.634 120.200 0.121 0.000 2.085 636 E HA -0.171 4.214 4.350 0.058 0.000 0.194 636 E C 2.119 178.735 176.600 0.026 0.000 0.994 636 E CA 0.724 57.160 56.400 0.059 0.000 0.801 636 E CB -0.055 29.667 29.700 0.036 0.000 0.743 636 E HN 0.396 nan 8.360 nan 0.000 0.453 637 L N 0.370 121.596 121.223 0.005 0.000 2.046 637 L HA -0.210 4.165 4.340 0.058 0.000 0.208 637 L C 2.330 179.185 176.870 -0.024 0.000 1.077 637 L CA 1.135 55.959 54.840 -0.026 0.000 0.747 637 L CB -0.125 41.907 42.059 -0.046 0.000 0.896 637 L HN 0.316 nan 8.230 nan 0.000 0.432 638 M N -0.661 118.936 119.600 -0.005 0.000 2.080 638 M HA -0.308 4.207 4.480 0.058 0.000 0.260 638 M C 2.087 178.405 176.300 0.031 0.000 1.068 638 M CA 2.015 57.320 55.300 0.010 0.000 1.109 638 M CB -0.475 32.143 32.600 0.030 0.000 1.342 638 M HN 0.262 nan 8.290 nan 0.000 0.405 639 E N 0.934 121.160 120.200 0.044 0.000 2.058 639 E HA -0.214 4.171 4.350 0.058 0.000 0.194 639 E C 1.950 178.575 176.600 0.042 0.000 0.997 639 E CA 1.286 57.712 56.400 0.044 0.000 0.801 639 E CB -0.115 29.608 29.700 0.038 0.000 0.746 639 E HN 0.479 nan 8.360 nan 0.000 0.450 640 L N 0.537 121.776 121.223 0.026 0.000 2.012 640 L HA -0.236 4.138 4.340 0.058 0.000 0.210 640 L C 2.591 179.496 176.870 0.059 0.000 1.073 640 L CA 1.176 56.035 54.840 0.031 0.000 0.748 640 L CB -0.460 41.594 42.059 -0.008 0.000 0.891 640 L HN 0.281 nan 8.230 nan 0.000 0.431 641 I N -0.406 120.172 120.570 0.014 0.000 2.226 641 I HA -0.285 3.920 4.170 0.058 0.000 0.245 641 I C 2.173 178.378 176.117 0.146 0.000 1.100 641 I CA 1.117 62.449 61.300 0.053 0.000 1.374 641 I CB -0.458 37.537 38.000 -0.009 0.000 1.057 641 I HN 0.258 nan 8.210 nan 0.000 0.413 642 D N 1.112 121.569 120.400 0.095 0.000 2.106 642 D HA -0.178 4.497 4.640 0.058 0.000 0.191 642 D C 2.317 178.682 176.300 0.107 0.000 0.997 642 D CA 1.460 55.514 54.000 0.091 0.000 0.834 642 D CB -0.445 40.391 40.800 0.060 0.000 0.956 642 D HN 0.276 nan 8.370 nan 0.000 0.448 643 L N -0.492 120.795 121.223 0.106 0.000 2.083 643 L HA -0.199 4.176 4.340 0.058 0.000 0.209 643 L C 2.461 179.410 176.870 0.132 0.000 1.083 643 L CA 0.960 55.858 54.840 0.097 0.000 0.752 643 L CB -0.471 41.639 42.059 0.084 0.000 0.899 643 L HN 0.079 nan 8.230 nan 0.000 0.433 644 Y N 0.824 121.169 120.300 0.074 0.000 2.163 644 Y HA -0.292 4.292 4.550 0.058 0.000 0.288 644 Y C 2.708 178.663 175.900 0.091 0.000 1.136 644 Y CA 2.009 60.175 58.100 0.110 0.000 1.147 644 Y CB -0.014 38.569 38.460 0.205 0.000 0.987 644 Y HN 0.227 nan 8.280 nan 0.000 0.509 645 E N 0.215 120.582 120.200 0.278 0.000 2.058 645 E HA -0.309 4.076 4.350 0.058 0.000 0.194 645 E C 2.230 178.851 176.600 0.035 0.000 0.997 645 E CA 1.623 58.116 56.400 0.155 0.000 0.801 645 E CB -0.363 29.430 29.700 0.155 0.000 0.746 645 E HN 0.669 nan 8.360 nan 0.000 0.450 646 E N -0.115 120.106 120.200 0.034 0.000 2.085 646 E HA -0.191 4.194 4.350 0.058 0.000 0.194 646 E C 1.865 178.444 176.600 -0.035 0.000 0.994 646 E CA 1.765 58.166 56.400 0.002 0.000 0.801 646 E CB -0.041 29.665 29.700 0.011 0.000 0.743 646 E HN 0.358 nan 8.360 nan 0.000 0.453 647 S N -1.439 114.224 115.700 -0.062 0.000 2.512 647 S HA 0.117 4.622 4.470 0.058 0.000 0.216 647 S C 0.782 175.285 174.600 -0.162 0.000 1.006 647 S CA -0.430 57.715 58.200 -0.091 0.000 0.915 647 S CB 0.567 63.726 63.200 -0.067 0.000 0.824 647 S HN 0.151 nan 8.310 nan 0.000 0.497 648 Q N 1.448 121.090 119.800 -0.263 0.000 2.928 648 Q HA 0.314 4.689 4.340 0.058 0.000 0.353 648 Q C -2.272 173.568 176.000 -0.267 0.000 0.870 648 Q CA -1.634 53.952 55.803 -0.362 0.000 0.963 648 Q CB 1.729 30.024 28.738 -0.739 0.000 1.419 648 Q HN 0.353 nan 8.270 nan 0.000 0.396 649 P HA -0.093 nan 4.420 nan 0.000 0.227 649 P C 0.890 178.155 177.300 -0.059 0.000 1.161 649 P CA 0.904 63.960 63.100 -0.074 0.000 0.788 649 P CB 0.387 32.056 31.700 -0.051 0.000 0.822 650 S N -1.773 113.883 115.700 -0.073 0.000 2.634 650 S HA 0.123 4.628 4.470 0.058 0.000 0.221 650 S C 0.918 175.481 174.600 -0.061 0.000 0.952 650 S CA -0.419 57.747 58.200 -0.056 0.000 0.930 650 S CB -0.894 62.276 63.200 -0.050 0.000 0.780 650 S HN 0.076 nan 8.310 nan 0.000 0.498 651 S N 0.920 116.575 115.700 -0.076 0.000 2.549 651 S HA 0.203 4.708 4.470 0.058 0.000 0.279 651 S C 0.858 175.416 174.600 -0.071 0.000 1.321 651 S CA -0.381 57.781 58.200 -0.064 0.000 1.054 651 S CB 0.861 64.040 63.200 -0.034 0.000 0.899 651 S HN 0.401 nan 8.310 nan 0.000 0.497 652 E N 3.003 123.149 120.200 -0.090 0.000 2.347 652 E HA 0.012 4.397 4.350 0.058 0.000 0.196 652 E C 1.855 178.332 176.600 -0.206 0.000 1.008 652 E CA 0.718 57.051 56.400 -0.112 0.000 0.852 652 E CB 0.039 29.685 29.700 -0.089 0.000 0.783 652 E HN 0.621 nan 8.360 nan 0.000 0.505 653 R N 0.023 120.325 120.500 -0.330 0.000 2.328 653 R HA -0.028 4.347 4.340 0.058 0.000 0.207 653 R C 1.824 177.607 176.300 -0.861 0.000 1.056 653 R CA 0.378 56.028 56.100 -0.750 0.000 1.016 653 R CB -0.121 29.462 30.300 -1.195 0.000 0.872 653 R HN 0.242 nan 8.270 nan 0.000 0.471 654 L N 0.561 121.569 121.223 -0.359 0.000 2.044 654 L HA -0.155 4.220 4.340 0.058 0.000 0.205 654 L C 1.864 178.713 176.870 -0.036 0.000 1.075 654 L CA 1.061 55.818 54.840 -0.139 0.000 0.747 654 L CB -0.338 41.723 42.059 0.004 0.000 0.903 654 L HN 0.233 nan 8.230 nan 0.000 0.435 655 N N 0.301 118.981 118.700 -0.033 0.000 2.094 655 N HA -0.221 4.554 4.740 0.058 0.000 0.191 655 N C 1.749 177.321 175.510 0.102 0.000 1.023 655 N CA 1.712 54.780 53.050 0.030 0.000 0.857 655 N CB -0.207 38.293 38.487 0.020 0.000 1.013 655 N HN 0.356 nan 8.380 nan 0.000 0.426 656 A N 1.031 123.911 122.820 0.100 0.000 1.855 656 A HA -0.040 4.314 4.320 0.058 0.000 0.215 656 A C 2.160 180.023 177.584 0.464 0.000 1.191 656 A CA 0.912 53.143 52.037 0.323 0.000 0.613 656 A CB -1.075 18.058 19.000 0.221 0.000 0.829 656 A HN 0.296 nan 8.150 nan 0.000 0.442 657 F N -0.497 119.504 119.950 0.084 0.000 2.202 657 F HA -0.229 4.333 4.527 0.058 0.000 0.301 657 F C 2.764 178.573 175.800 0.015 0.000 1.082 657 F CA 1.091 59.106 58.000 0.025 0.000 1.313 657 F CB -0.173 38.780 39.000 -0.077 0.000 1.024 657 F HN 0.190 nan 8.300 nan 0.000 0.495 658 R N 0.388 121.016 120.500 0.212 0.000 2.073 658 R HA -0.195 4.180 4.340 0.058 0.000 0.234 658 R C 2.081 178.396 176.300 0.026 0.000 1.134 658 R CA 1.668 57.829 56.100 0.101 0.000 0.952 658 R CB -0.423 29.924 30.300 0.078 0.000 0.850 658 R HN 0.293 nan 8.270 nan 0.000 0.433 659 E N 0.543 120.751 120.200 0.014 0.000 2.058 659 E HA -0.237 4.148 4.350 0.058 0.000 0.194 659 E C 1.887 178.299 176.600 -0.313 0.000 0.997 659 E CA 1.156 57.471 56.400 -0.141 0.000 0.801 659 E CB -0.049 29.571 29.700 -0.134 0.000 0.746 659 E HN 0.107 nan 8.360 nan 0.000 0.450 660 L N 1.452 122.511 121.223 -0.274 0.000 2.043 660 L HA -0.218 4.157 4.340 0.058 0.000 0.212 660 L C 2.462 179.237 176.870 -0.158 0.000 1.075 660 L CA 2.048 56.733 54.840 -0.258 0.000 0.752 660 L CB -0.536 41.516 42.059 -0.011 0.000 0.891 660 L HN 0.054 nan 8.230 nan 0.000 0.432 661 R N -1.310 119.142 120.500 -0.079 0.000 2.073 661 R HA -0.161 4.214 4.340 0.058 0.000 0.234 661 R C 2.059 178.316 176.300 -0.072 0.000 1.134 661 R CA 2.086 58.152 56.100 -0.057 0.000 0.952 661 R CB -0.514 29.779 30.300 -0.011 0.000 0.850 661 R HN 0.448 nan 8.270 nan 0.000 0.433 662 T N 1.025 115.530 114.554 -0.080 0.000 2.737 662 T HA -0.200 4.185 4.350 0.058 0.000 0.269 662 T C 1.741 176.378 174.700 -0.105 0.000 1.040 662 T CA 1.647 63.699 62.100 -0.080 0.000 1.142 662 T CB -0.172 68.648 68.868 -0.080 0.000 0.861 662 T HN 0.444 nan 8.240 nan 0.000 0.456 663 Q N 0.347 120.043 119.800 -0.173 0.000 2.046 663 Q HA 0.027 4.402 4.340 0.058 0.000 0.200 663 Q C 2.423 178.347 176.000 -0.126 0.000 0.975 663 Q CA 1.109 56.798 55.803 -0.189 0.000 0.836 663 Q CB -0.392 28.156 28.738 -0.316 0.000 0.896 663 Q HN 0.470 nan 8.270 nan 0.000 0.428 664 L N 0.570 121.723 121.223 -0.117 0.000 2.093 664 L HA -0.188 4.187 4.340 0.058 0.000 0.208 664 L C 2.200 179.035 176.870 -0.058 0.000 1.085 664 L CA 1.122 55.902 54.840 -0.100 0.000 0.755 664 L CB -0.309 41.688 42.059 -0.103 0.000 0.904 664 L HN 0.241 nan 8.230 nan 0.000 0.435 665 E N 0.258 120.450 120.200 -0.013 0.000 2.047 665 E HA -0.220 4.165 4.350 0.058 0.000 0.191 665 E C 2.114 178.789 176.600 0.125 0.000 0.987 665 E CA 1.085 57.541 56.400 0.093 0.000 0.799 665 E CB 0.002 29.719 29.700 0.027 0.000 0.752 665 E HN 0.397 nan 8.360 nan 0.000 0.449 666 K N 0.161 120.577 120.400 0.027 0.000 2.362 666 K HA -0.039 4.316 4.320 0.058 0.000 0.200 666 K C 1.863 178.461 176.600 -0.004 0.000 1.046 666 K CA 0.764 57.061 56.287 0.016 0.000 0.952 666 K CB 0.106 32.593 32.500 -0.023 0.000 0.753 666 K HN 0.040 nan 8.250 nan 0.000 0.466 667 A N 0.274 123.073 122.820 -0.035 0.000 2.030 667 A HA -0.009 4.345 4.320 0.058 0.000 0.215 667 A C 1.720 179.251 177.584 -0.089 0.000 1.164 667 A CA 0.754 52.753 52.037 -0.063 0.000 0.697 667 A CB 0.085 19.032 19.000 -0.089 0.000 0.827 667 A HN 0.045 nan 8.150 nan 0.000 0.457 668 L N -2.039 119.106 121.223 -0.131 0.000 2.221 668 L HA 0.230 4.605 4.340 0.058 0.000 0.202 668 L C -0.148 176.446 176.870 -0.460 0.000 1.074 668 L CA 0.921 55.552 54.840 -0.348 0.000 0.795 668 L CB -1.127 40.588 42.059 -0.574 0.000 0.960 668 L HN 0.394 nan 8.230 nan 0.000 0.458 669 Y N 0.193 120.490 120.300 -0.005 0.000 2.328 669 Y HA 0.424 5.009 4.550 0.058 0.000 0.337 669 Y C 0.319 176.223 175.900 0.007 0.000 0.966 669 Y CA -1.010 57.094 58.100 0.008 0.000 1.136 669 Y CB 0.969 39.426 38.460 -0.004 0.000 1.170 669 Y HN -0.189 nan 8.280 nan 0.000 0.470 670 L N 5.421 126.724 121.223 0.133 0.000 2.464 670 L HA 0.150 4.525 4.340 0.058 0.000 0.264 670 L C -1.277 175.635 176.870 0.071 0.000 1.199 670 L CA -1.683 53.207 54.840 0.083 0.000 0.818 670 L CB 0.733 42.842 42.059 0.083 0.000 1.102 670 L HN 0.413 nan 8.230 nan 0.000 0.473 671 P HA -0.192 nan 4.420 nan 0.000 0.217 671 P C 0.883 178.193 177.300 0.017 0.000 1.151 671 P CA 1.293 64.406 63.100 0.022 0.000 0.849 671 P CB 0.164 31.869 31.700 0.008 0.000 0.787 672 E N -1.267 118.947 120.200 0.024 0.000 2.445 672 E HA 0.040 4.425 4.350 0.058 0.000 0.189 672 E C 1.109 177.691 176.600 -0.031 0.000 1.069 672 E CA 0.316 56.719 56.400 0.005 0.000 0.871 672 E CB -0.580 29.140 29.700 0.033 0.000 0.991 672 E HN 0.365 nan 8.360 nan 0.000 0.481 673 M N 0.527 120.127 119.600 -0.001 0.000 2.383 673 M HA 0.093 4.608 4.480 0.058 0.000 0.247 673 M C 1.319 177.616 176.300 -0.006 0.000 1.117 673 M CA -0.108 55.189 55.300 -0.005 0.000 0.995 673 M CB 0.483 33.142 32.600 0.097 0.000 1.480 673 M HN -0.122 nan 8.290 nan 0.000 0.485 674 E N 1.298 121.485 120.200 -0.021 0.000 2.108 674 E HA -0.239 4.146 4.350 0.058 0.000 0.203 674 E C 2.019 178.586 176.600 -0.054 0.000 1.022 674 E CA 2.007 58.385 56.400 -0.036 0.000 0.823 674 E CB -0.088 29.595 29.700 -0.027 0.000 0.744 674 E HN 0.568 nan 8.360 nan 0.000 0.456 675 A N 0.684 123.466 122.820 -0.064 0.000 1.929 675 A HA -0.115 4.240 4.320 0.058 0.000 0.216 675 A C 2.246 179.830 177.584 -0.000 0.000 1.176 675 A CA 1.157 53.177 52.037 -0.029 0.000 0.628 675 A CB -0.494 18.483 19.000 -0.038 0.000 0.816 675 A HN 0.256 nan 8.150 nan 0.000 0.444 676 L N 0.065 121.230 121.223 -0.096 0.000 2.046 676 L HA -0.119 4.256 4.340 0.058 0.000 0.208 676 L C 2.252 179.150 176.870 0.046 0.000 1.077 676 L CA 2.656 57.491 54.840 -0.008 0.000 0.747 676 L CB -0.509 41.490 42.059 -0.100 0.000 0.896 676 L HN 0.427 nan 8.230 nan 0.000 0.432 677 K N -0.481 119.865 120.400 -0.089 0.000 2.009 677 K HA -0.282 4.073 4.320 0.058 0.000 0.210 677 K C 2.276 178.723 176.600 -0.254 0.000 1.049 677 K CA 1.869 57.894 56.287 -0.437 0.000 0.929 677 K CB -0.112 32.043 32.500 -0.574 0.000 0.714 677 K HN 0.098 nan 8.250 nan 0.000 0.440 678 K N 0.517 120.845 120.400 -0.121 0.000 2.097 678 K HA -0.115 4.240 4.320 0.058 0.000 0.206 678 K C 2.274 178.863 176.600 -0.019 0.000 1.049 678 K CA 1.387 57.635 56.287 -0.065 0.000 0.933 678 K CB -0.068 32.418 32.500 -0.023 0.000 0.717 678 K HN 0.161 nan 8.250 nan 0.000 0.442 679 Q N 0.014 119.839 119.800 0.041 0.000 2.084 679 Q HA -0.065 4.310 4.340 0.058 0.000 0.202 679 Q C 2.229 178.254 176.000 0.042 0.000 0.978 679 Q CA 1.429 57.278 55.803 0.076 0.000 0.844 679 Q CB -0.155 28.702 28.738 0.199 0.000 0.898 679 Q HN 0.391 nan 8.270 nan 0.000 0.426 680 I N 0.010 120.604 120.570 0.041 0.000 2.233 680 I HA -0.202 4.003 4.170 0.058 0.000 0.243 680 I C 1.885 178.006 176.117 0.007 0.000 1.093 680 I CA 0.724 62.050 61.300 0.043 0.000 1.380 680 I CB -0.122 37.950 38.000 0.120 0.000 1.067 680 I HN 0.099 nan 8.210 nan 0.000 0.413 681 L N 0.158 121.354 121.223 -0.046 0.000 2.552 681 L HA -0.079 4.295 4.340 0.058 0.000 0.227 681 L C 2.349 179.208 176.870 -0.018 0.000 1.146 681 L CA 0.439 55.263 54.840 -0.028 0.000 0.858 681 L CB -0.499 41.508 42.059 -0.086 0.000 0.969 681 L HN 0.359 nan 8.230 nan 0.000 0.451 682 Q N 0.870 120.658 119.800 -0.021 0.000 2.170 682 Q HA -0.080 4.295 4.340 0.058 0.000 0.203 682 Q C 0.794 176.787 176.000 -0.012 0.000 0.976 682 Q CA 0.705 56.499 55.803 -0.016 0.000 0.858 682 Q CB 0.146 28.874 28.738 -0.015 0.000 0.907 682 Q HN 0.465 nan 8.270 nan 0.000 0.433 683 I N 2.794 123.358 120.570 -0.010 0.000 2.533 683 I HA 0.059 4.264 4.170 0.058 0.000 0.284 683 I C -2.023 174.099 176.117 0.008 0.000 1.109 683 I CA -1.910 59.383 61.300 -0.012 0.000 1.412 683 I CB 0.529 38.516 38.000 -0.023 0.000 1.396 683 I HN 0.035 nan 8.210 nan 0.000 0.543 684 P HA 0.039 nan 4.420 nan 0.000 0.270 684 P C -0.837 176.497 177.300 0.057 0.000 1.223 684 P CA -0.057 63.062 63.100 0.032 0.000 0.785 684 P CB 0.295 32.015 31.700 0.033 0.000 0.923 685 N N 0.272 119.005 118.700 0.055 0.000 2.688 685 N HA -0.146 4.629 4.740 0.058 0.000 0.261 685 N C 0.273 175.819 175.510 0.060 0.000 1.116 685 N CA 0.457 53.544 53.050 0.061 0.000 0.689 685 N CB -1.426 37.123 38.487 0.103 0.000 0.882 685 N HN 0.563 nan 8.380 nan 0.000 0.554 686 K N -0.206 120.231 120.400 0.063 0.000 2.360 686 K HA -0.088 4.267 4.320 0.058 0.000 0.201 686 K C 1.818 178.471 176.600 0.090 0.000 1.046 686 K CA 1.481 57.822 56.287 0.089 0.000 0.940 686 K CB 0.105 32.688 32.500 0.138 0.000 0.748 686 K HN 0.507 nan 8.250 nan 0.000 0.465 687 G N 0.170 109.009 108.800 0.065 0.000 3.393 687 G HA2 -0.062 3.932 3.960 0.058 0.000 0.255 687 G HA3 -0.062 3.932 3.960 0.058 0.000 0.255 687 G C 1.052 175.969 174.900 0.028 0.000 1.097 687 G CA 0.007 45.139 45.100 0.054 0.000 0.780 687 G HN 0.272 nan 8.290 nan 0.000 0.540 688 S N -0.681 115.044 115.700 0.040 0.000 2.481 688 S HA 0.313 4.818 4.470 0.058 0.000 0.231 688 S C 1.959 176.571 174.600 0.019 0.000 0.996 688 S CA 1.254 59.492 58.200 0.065 0.000 0.942 688 S CB -0.042 63.255 63.200 0.161 0.000 0.768 688 S HN 1.364 nan 8.310 nan 0.000 0.520 689 G N 0.264 109.068 108.800 0.005 0.000 2.218 689 G HA2 -0.173 3.822 3.960 0.058 0.000 0.216 689 G HA3 -0.173 3.822 3.960 0.058 0.000 0.216 689 G C 1.049 175.949 174.900 0.000 0.000 0.994 689 G CA 0.300 45.401 45.100 0.002 0.000 0.637 689 G HN 1.088 nan 8.290 nan 0.000 0.505 690 A N 0.965 123.767 122.820 -0.029 0.000 1.845 690 A HA 0.419 4.774 4.320 0.058 0.000 0.215 690 A C 2.869 180.451 177.584 -0.003 0.000 1.195 690 A CA 3.189 55.213 52.037 -0.023 0.000 0.616 690 A CB -1.101 17.865 19.000 -0.058 0.000 0.832 690 A HN 1.778 nan 8.150 nan 0.000 0.443 691 A N -0.444 122.311 122.820 -0.108 0.000 1.908 691 A HA -0.213 4.142 4.320 0.058 0.000 0.218 691 A C 2.266 179.571 177.584 -0.465 0.000 1.181 691 A CA 1.926 53.794 52.037 -0.282 0.000 0.627 691 A CB -0.579 18.175 19.000 -0.410 0.000 0.818 691 A HN 0.577 nan 8.150 nan 0.000 0.445 692 R N -1.517 118.752 120.500 -0.386 0.000 2.082 692 R HA -0.202 4.173 4.340 0.058 0.000 0.234 692 R C 2.042 178.321 176.300 -0.035 0.000 1.136 692 R CA 2.148 58.147 56.100 -0.170 0.000 0.935 692 R CB -0.577 29.713 30.300 -0.018 0.000 0.842 692 R HN 0.522 nan 8.270 nan 0.000 0.430 693 F N 1.041 120.933 119.950 -0.097 0.000 2.161 693 F HA -0.158 4.404 4.527 0.058 0.000 0.300 693 F C 1.811 177.586 175.800 -0.042 0.000 1.089 693 F CA 1.409 59.379 58.000 -0.050 0.000 1.282 693 F CB -0.017 38.968 39.000 -0.026 0.000 1.010 693 F HN 0.037 nan 8.300 nan 0.000 0.485 694 L N -0.765 120.530 121.223 0.121 0.000 2.131 694 L HA -0.118 4.257 4.340 0.058 0.000 0.206 694 L C 2.284 179.140 176.870 -0.024 0.000 1.087 694 L CA 0.365 55.259 54.840 0.089 0.000 0.767 694 L CB -0.653 41.501 42.059 0.158 0.000 0.917 694 L HN 0.237 nan 8.230 nan 0.000 0.441 695 L N 0.333 121.534 121.223 -0.038 0.000 2.017 695 L HA -0.220 4.155 4.340 0.058 0.000 0.208 695 L C 2.737 179.479 176.870 -0.214 0.000 1.073 695 L CA 1.748 56.534 54.840 -0.090 0.000 0.745 695 L CB -0.680 41.343 42.059 -0.060 0.000 0.894 695 L HN 0.156 nan 8.230 nan 0.000 0.432 696 R N -1.119 119.246 120.500 -0.225 0.000 2.096 696 R HA -0.195 4.180 4.340 0.058 0.000 0.240 696 R C 1.955 178.072 176.300 -0.304 0.000 1.139 696 R CA 2.313 58.250 56.100 -0.271 0.000 0.952 696 R CB -0.579 29.558 30.300 -0.272 0.000 0.854 696 R HN 0.494 nan 8.270 nan 0.000 0.436 697 T N 0.633 114.980 114.554 -0.345 0.000 2.708 697 T HA -0.094 4.291 4.350 0.058 0.000 0.266 697 T C 1.910 176.511 174.700 -0.165 0.000 1.037 697 T CA 1.377 63.312 62.100 -0.275 0.000 1.146 697 T CB -0.352 68.350 68.868 -0.276 0.000 0.865 697 T HN 0.475 nan 8.240 nan 0.000 0.435 698 A N 1.553 124.286 122.820 -0.146 0.000 1.877 698 A HA -0.048 4.307 4.320 0.058 0.000 0.216 698 A C 2.385 179.808 177.584 -0.268 0.000 1.186 698 A CA 1.572 53.536 52.037 -0.122 0.000 0.620 698 A CB -0.728 18.231 19.000 -0.069 0.000 0.822 698 A HN 0.453 nan 8.150 nan 0.000 0.443 699 M N -0.519 118.790 119.600 -0.484 0.000 2.086 699 M HA -0.164 4.351 4.480 0.058 0.000 0.261 699 M C 1.863 177.909 176.300 -0.423 0.000 1.067 699 M CA 1.543 56.282 55.300 -0.936 0.000 1.116 699 M CB -0.615 31.180 32.600 -1.341 0.000 1.348 699 M HN 0.358 nan 8.290 nan 0.000 0.407 700 N N 0.340 118.890 118.700 -0.249 0.000 2.149 700 N HA -0.175 4.600 4.740 0.058 0.000 0.188 700 N C 1.541 177.050 175.510 -0.003 0.000 1.019 700 N CA 1.237 54.239 53.050 -0.081 0.000 0.857 700 N CB -0.269 38.165 38.487 -0.088 0.000 0.997 700 N HN 0.459 nan 8.380 nan 0.000 0.426 701 E N 0.158 120.341 120.200 -0.028 0.000 2.028 701 E HA -0.027 4.358 4.350 0.058 0.000 0.190 701 E C 1.887 178.533 176.600 0.077 0.000 0.984 701 E CA 0.628 57.050 56.400 0.036 0.000 0.800 701 E CB 0.034 29.759 29.700 0.041 0.000 0.758 701 E HN 0.246 nan 8.360 nan 0.000 0.448 702 M N 0.278 119.893 119.600 0.025 0.000 2.144 702 M HA -0.182 4.333 4.480 0.058 0.000 0.260 702 M C 2.269 178.777 176.300 0.348 0.000 1.067 702 M CA 1.524 56.858 55.300 0.056 0.000 1.095 702 M CB -0.157 32.317 32.600 -0.210 0.000 1.365 702 M HN 0.158 nan 8.290 nan 0.000 0.406 703 A N -0.232 122.815 122.820 0.379 0.000 2.216 703 A HA 0.192 4.547 4.320 0.058 0.000 0.214 703 A C 1.762 179.520 177.584 0.290 0.000 1.160 703 A CA 1.073 53.358 52.037 0.414 0.000 0.725 703 A CB -1.076 18.145 19.000 0.369 0.000 0.784 703 A HN 0.707 nan 8.150 nan 0.000 0.472 704 G N -0.803 108.138 108.800 0.234 0.000 2.155 704 G HA2 -0.320 3.675 3.960 0.058 0.000 0.257 704 G HA3 -0.320 3.675 3.960 0.058 0.000 0.257 704 G C 0.797 175.784 174.900 0.145 0.000 0.983 704 G CA 0.789 46.005 45.100 0.193 0.000 0.676 704 G HN 0.538 nan 8.290 nan 0.000 0.528 705 K N 0.087 120.565 120.400 0.130 0.000 2.458 705 K HA 0.242 4.597 4.320 0.058 0.000 0.194 705 K C 0.132 176.773 176.600 0.068 0.000 1.024 705 K CA 1.095 57.440 56.287 0.096 0.000 1.108 705 K CB 0.095 32.650 32.500 0.092 0.000 0.846 705 K HN 0.401 nan 8.250 nan 0.000 0.518 706 T N -0.537 114.060 114.554 0.071 0.000 2.886 706 T HA 0.049 4.434 4.350 0.058 0.000 0.330 706 T C -1.044 173.697 174.700 0.069 0.000 1.488 706 T CA -0.868 61.265 62.100 0.056 0.000 1.054 706 T CB 1.619 70.506 68.868 0.031 0.000 1.348 706 T HN 0.176 nan 8.240 nan 0.000 0.489 707 S N 0.824 116.563 115.700 0.064 0.000 2.584 707 S HA 0.277 4.782 4.470 0.058 0.000 0.270 707 S C 0.210 174.858 174.600 0.080 0.000 1.346 707 S CA -0.695 57.548 58.200 0.073 0.000 1.018 707 S CB 0.341 63.580 63.200 0.065 0.000 0.899 707 S HN 0.799 nan 8.310 nan 0.000 0.542 708 E N 0.292 120.548 120.200 0.092 0.000 2.406 708 E HA 0.131 4.516 4.350 0.058 0.000 0.258 708 E C -0.196 176.460 176.600 0.093 0.000 1.043 708 E CA 0.023 56.487 56.400 0.106 0.000 0.929 708 E CB 0.047 29.817 29.700 0.116 0.000 0.969 708 E HN 0.704 nan 8.360 nan 0.000 0.462 709 S N 2.220 117.979 115.700 0.097 0.000 2.699 709 S HA -0.025 4.480 4.470 0.058 0.000 0.277 709 S C 1.435 176.091 174.600 0.093 0.000 1.062 709 S CA 0.097 58.349 58.200 0.088 0.000 1.116 709 S CB 0.300 63.549 63.200 0.082 0.000 0.977 709 S HN 0.542 nan 8.310 nan 0.000 0.498 710 T N 3.475 118.099 114.554 0.117 0.000 2.607 710 T HA -0.122 4.263 4.350 0.058 0.000 0.267 710 T C 2.194 176.925 174.700 0.052 0.000 1.049 710 T CA 1.793 63.977 62.100 0.139 0.000 1.162 710 T CB -0.675 68.332 68.868 0.232 0.000 0.863 710 T HN 0.484 nan 8.240 nan 0.000 0.424 711 A N 2.182 124.960 122.820 -0.070 0.000 1.903 711 A HA -0.246 4.108 4.320 0.058 0.000 0.219 711 A C 2.147 179.572 177.584 -0.265 0.000 1.191 711 A CA 2.190 53.943 52.037 -0.474 0.000 0.638 711 A CB -0.874 17.666 19.000 -0.766 0.000 0.823 711 A HN 0.418 nan 8.150 nan 0.000 0.451 712 D N -0.259 120.075 120.400 -0.111 0.000 2.117 712 D HA -0.087 4.588 4.640 0.058 0.000 0.198 712 D C 1.950 178.229 176.300 -0.036 0.000 0.982 712 D CA 1.012 54.989 54.000 -0.038 0.000 0.828 712 D CB -0.393 40.461 40.800 0.090 0.000 0.967 712 D HN 0.449 nan 8.370 nan 0.000 0.464 713 L N 0.622 121.876 121.223 0.051 0.000 2.079 713 L HA -0.143 4.232 4.340 0.058 0.000 0.210 713 L C 2.473 179.404 176.870 0.102 0.000 1.081 713 L CA 0.663 55.595 54.840 0.152 0.000 0.752 713 L CB -0.237 41.967 42.059 0.242 0.000 0.896 713 L HN 0.035 nan 8.230 nan 0.000 0.433 714 I N -0.701 119.868 120.570 -0.001 0.000 2.286 714 I HA -0.293 3.912 4.170 0.058 0.000 0.248 714 I C 2.630 178.649 176.117 -0.164 0.000 1.115 714 I CA 1.241 62.504 61.300 -0.063 0.000 1.392 714 I CB -0.316 37.637 38.000 -0.078 0.000 1.065 714 I HN 0.228 nan 8.210 nan 0.000 0.418 715 R N -0.017 120.325 120.500 -0.264 0.000 2.092 715 R HA -0.155 4.220 4.340 0.058 0.000 0.231 715 R C 2.314 178.292 176.300 -0.537 0.000 1.119 715 R CA 1.374 57.207 56.100 -0.446 0.000 0.970 715 R CB -0.425 29.491 30.300 -0.641 0.000 0.864 715 R HN 0.266 nan 8.270 nan 0.000 0.440 716 F N 1.750 121.348 119.950 -0.587 0.000 2.075 716 F HA -0.139 4.423 4.527 0.058 0.000 0.297 716 F C 2.255 177.921 175.800 -0.224 0.000 1.113 716 F CA 1.304 59.092 58.000 -0.353 0.000 1.218 716 F CB -0.714 38.190 39.000 -0.160 0.000 0.984 716 F HN -0.030 nan 8.300 nan 0.000 0.472 717 A N 1.047 123.583 122.820 -0.472 0.000 1.903 717 A HA -0.219 4.136 4.320 0.058 0.000 0.219 717 A C 2.377 179.738 177.584 -0.371 0.000 1.191 717 A CA 2.188 53.933 52.037 -0.487 0.000 0.638 717 A CB -1.419 17.448 19.000 -0.221 0.000 0.823 717 A HN 0.553 nan 8.150 nan 0.000 0.451 718 L N -0.924 120.138 121.223 -0.268 0.000 2.291 718 L HA -0.154 4.221 4.340 0.058 0.000 0.214 718 L C 2.450 179.214 176.870 -0.176 0.000 1.120 718 L CA 1.441 56.168 54.840 -0.187 0.000 0.799 718 L CB -0.241 41.731 42.059 -0.145 0.000 0.925 718 L HN 0.745 nan 8.230 nan 0.000 0.446 719 Q N -2.020 117.653 119.800 -0.212 0.000 2.246 719 Q HA 0.101 4.476 4.340 0.058 0.000 0.222 719 Q C 0.463 176.350 176.000 -0.189 0.000 0.851 719 Q CA -0.057 55.658 55.803 -0.146 0.000 0.945 719 Q CB -0.182 28.520 28.738 -0.060 0.000 1.122 719 Q HN 0.167 nan 8.270 nan 0.000 0.508 720 D N 1.135 121.335 120.400 -0.334 0.000 2.424 720 D HA -0.037 4.638 4.640 0.058 0.000 0.244 720 D C 0.560 176.710 176.300 -0.250 0.000 1.134 720 D CA 0.903 54.676 54.000 -0.378 0.000 0.881 720 D CB 1.408 41.788 40.800 -0.699 0.000 1.191 720 D HN 0.363 nan 8.370 nan 0.000 0.445 721 T N 0.405 114.843 114.554 -0.195 0.000 3.072 721 T HA -0.025 4.360 4.350 0.058 0.000 0.266 721 T C 1.619 176.255 174.700 -0.106 0.000 1.127 721 T CA 0.490 62.510 62.100 -0.134 0.000 1.107 721 T CB 0.184 68.982 68.868 -0.117 0.000 0.910 721 T HN 0.239 nan 8.240 nan 0.000 0.513 722 V N 0.540 120.355 119.914 -0.166 0.000 2.599 722 V HA 0.237 4.392 4.120 0.058 0.000 0.237 722 V C 2.513 178.477 176.094 -0.217 0.000 1.081 722 V CA 0.290 62.480 62.300 -0.182 0.000 1.107 722 V CB -0.393 31.233 31.823 -0.329 0.000 0.808 722 V HN 0.352 nan 8.190 nan 0.000 0.486 723 I N 1.852 122.230 120.570 -0.320 0.000 2.194 723 I HA -0.231 3.974 4.170 0.058 0.000 0.246 723 I C 2.284 178.337 176.117 -0.107 0.000 1.093 723 I CA 2.173 63.308 61.300 -0.275 0.000 1.355 723 I CB -0.402 37.365 38.000 -0.388 0.000 1.046 723 I HN 0.473 nan 8.210 nan 0.000 0.413 724 S N 0.218 115.847 115.700 -0.118 0.000 2.605 724 S HA 0.388 4.893 4.470 0.058 0.000 0.217 724 S C 0.735 175.334 174.600 -0.002 0.000 0.958 724 S CA -0.286 57.874 58.200 -0.068 0.000 0.919 724 S CB -0.126 63.006 63.200 -0.113 0.000 0.780 724 S HN 0.236 nan 8.310 nan 0.000 0.507 725 A N 2.787 125.651 122.820 0.072 0.000 2.260 725 A HA 0.659 5.014 4.320 0.058 0.000 0.308 725 A C -2.762 174.888 177.584 0.110 0.000 1.254 725 A CA -2.024 50.061 52.037 0.081 0.000 0.874 725 A CB 0.029 19.090 19.000 0.101 0.000 1.153 725 A HN 0.233 nan 8.150 nan 0.000 0.527 726 P HA -0.059 nan 4.420 nan 0.000 0.256 726 P C -0.381 176.878 177.300 -0.068 0.000 1.173 726 P CA 0.532 63.627 63.100 -0.007 0.000 0.768 726 P CB -0.108 31.569 31.700 -0.039 0.000 0.758 727 F N 5.084 124.865 119.950 -0.281 0.000 2.541 727 F HA 0.073 4.635 4.527 0.058 0.000 0.378 727 F C 1.123 176.747 175.800 -0.293 0.000 1.068 727 F CA 0.281 57.981 58.000 -0.499 0.000 1.199 727 F CB 0.403 38.955 39.000 -0.747 0.000 1.091 727 F HN 0.270 nan 8.300 nan 0.000 0.555 728 R N 4.445 124.365 120.500 -0.966 0.000 2.642 728 R HA 0.228 4.603 4.340 0.058 0.000 0.435 728 R C 0.692 176.460 176.300 -0.887 0.000 1.046 728 R CA -0.127 55.535 56.100 -0.730 0.000 1.103 728 R CB 0.710 30.763 30.300 -0.412 0.000 1.425 728 R HN 0.822 nan 8.270 nan 0.000 0.586 729 G N 0.265 108.034 108.800 -1.718 0.000 2.714 729 G HA2 0.002 3.997 3.960 0.058 0.000 0.197 729 G HA3 0.002 3.997 3.960 0.058 0.000 0.197 729 G C -1.202 173.557 174.900 -0.236 0.000 1.449 729 G CA -0.238 44.361 45.100 -0.835 0.000 1.065 729 G HN 0.178 nan 8.290 nan 0.000 0.575 730 Y N 0.494 120.864 120.300 0.117 0.000 2.341 730 Y HA 0.522 5.107 4.550 0.058 0.000 0.340 730 Y C 0.706 176.788 175.900 0.303 0.000 0.997 730 Y CA -0.629 57.581 58.100 0.183 0.000 1.149 730 Y CB 1.509 40.062 38.460 0.155 0.000 1.171 730 Y HN 0.368 nan 8.280 nan 0.000 0.494 731 A N 4.404 127.028 122.820 -0.327 0.000 2.430 731 A HA 0.449 4.804 4.320 0.058 0.000 0.243 731 A C 1.004 178.312 177.584 -0.460 0.000 1.254 731 A CA 0.384 52.275 52.037 -0.244 0.000 0.914 731 A CB -0.539 18.445 19.000 -0.026 0.000 0.998 731 A HN 0.895 nan 8.150 nan 0.000 0.515 732 G N -0.609 107.550 108.800 -1.068 0.000 2.641 732 G HA2 0.552 4.547 3.960 0.058 0.000 0.239 732 G HA3 0.552 4.547 3.960 0.058 0.000 0.239 732 G C 0.260 175.018 174.900 -0.236 0.000 1.402 732 G CA 0.075 44.835 45.100 -0.567 0.000 1.046 732 G HN 0.671 nan 8.290 nan 0.000 0.565 733 A N -1.090 121.802 122.820 0.121 0.000 2.279 733 A HA 0.656 5.011 4.320 0.058 0.000 0.303 733 A C -0.496 177.295 177.584 0.345 0.000 1.108 733 A CA -0.418 51.734 52.037 0.192 0.000 0.830 733 A CB 0.591 19.663 19.000 0.120 0.000 1.106 733 A HN 0.377 nan 8.150 nan 0.000 0.493 734 I N 1.663 122.342 120.570 0.181 0.000 2.362 734 I HA 0.334 4.539 4.170 0.058 0.000 0.289 734 I C -2.229 173.830 176.117 -0.096 0.000 0.994 734 I CA -2.344 58.985 61.300 0.048 0.000 1.158 734 I CB 0.680 38.689 38.000 0.016 0.000 1.315 734 I HN 0.386 nan 8.210 nan 0.000 0.451 735 P HA 0.178 nan 4.420 nan 0.000 0.268 735 P C 0.846 178.023 177.300 -0.205 0.000 1.205 735 P CA -0.198 62.786 63.100 -0.194 0.000 0.771 735 P CB 1.030 32.578 31.700 -0.253 0.000 0.858 736 E N 1.800 121.922 120.200 -0.129 0.000 2.118 736 E HA -0.228 4.157 4.350 0.058 0.000 0.195 736 E C 1.820 178.333 176.600 -0.144 0.000 0.992 736 E CA 1.366 57.697 56.400 -0.116 0.000 0.804 736 E CB -0.248 29.408 29.700 -0.073 0.000 0.741 736 E HN 0.560 nan 8.360 nan 0.000 0.458 737 A N 1.142 123.874 122.820 -0.147 0.000 2.131 737 A HA -0.131 4.224 4.320 0.058 0.000 0.220 737 A C 1.107 178.566 177.584 -0.207 0.000 1.158 737 A CA 0.564 52.516 52.037 -0.143 0.000 0.665 737 A CB -0.317 18.615 19.000 -0.113 0.000 0.795 737 A HN 0.088 nan 8.150 nan 0.000 0.460 738 I N 1.826 122.201 120.570 -0.325 0.000 2.436 738 I HA 0.032 4.237 4.170 0.058 0.000 0.289 738 I C -0.145 175.706 176.117 -0.442 0.000 1.083 738 I CA -0.023 60.967 61.300 -0.517 0.000 1.372 738 I CB 0.615 38.160 38.000 -0.759 0.000 1.408 738 I HN 0.354 nan 8.210 nan 0.000 0.516 739 D N 6.528 126.707 120.400 -0.368 0.000 2.615 739 D HA 0.173 4.848 4.640 0.058 0.000 0.236 739 D C -0.442 175.834 176.300 -0.040 0.000 1.233 739 D CA -0.284 53.621 54.000 -0.157 0.000 0.829 739 D CB -0.368 40.409 40.800 -0.037 0.000 1.024 739 D HN 0.247 nan 8.370 nan 0.000 0.490 740 F N -2.695 117.222 119.950 -0.054 0.000 2.619 740 F HA 0.686 5.248 4.527 0.059 0.000 0.308 740 F C -3.085 172.681 175.800 -0.057 0.000 1.097 740 F CA -3.004 54.961 58.000 -0.058 0.000 0.953 740 F CB 0.224 39.175 39.000 -0.081 0.000 1.287 740 F HN -0.382 nan 8.300 nan 0.000 0.446 741 P HA 0.216 nan 4.420 nan 0.000 0.267 741 P C -0.627 176.758 177.300 0.142 0.000 1.209 741 P CA -0.184 62.972 63.100 0.092 0.000 0.763 741 P CB 0.999 32.743 31.700 0.074 0.000 0.816 742 V N 4.867 124.823 119.914 0.070 0.000 2.509 742 V HA 0.156 4.311 4.120 0.058 0.000 0.284 742 V C 1.265 177.295 176.094 -0.107 0.000 1.047 742 V CA 0.170 62.527 62.300 0.095 0.000 0.952 742 V CB 1.348 33.253 31.823 0.137 0.000 0.988 742 V HN 0.548 nan 8.190 nan 0.000 0.469 743 K N 2.889 123.067 120.400 -0.370 0.000 2.286 743 K HA 0.271 4.626 4.320 0.058 0.000 0.203 743 K C -0.608 175.617 176.600 -0.625 0.000 1.078 743 K CA 0.503 56.150 56.287 -1.067 0.000 0.957 743 K CB 0.499 31.764 32.500 -2.059 0.000 1.018 743 K HN 0.633 nan 8.250 nan 0.000 0.484 744 Y N 0.184 120.558 120.300 0.124 0.000 2.499 744 Y HA 0.530 5.115 4.550 0.058 0.000 0.347 744 Y C -0.545 175.402 175.900 0.077 0.000 0.987 744 Y CA -1.414 56.796 58.100 0.184 0.000 1.044 744 Y CB 1.998 40.586 38.460 0.213 0.000 1.245 744 Y HN -0.379 nan 8.280 nan 0.000 0.461 745 V N 4.009 124.007 119.914 0.140 0.000 2.577 745 V HA 0.372 4.527 4.120 0.058 0.000 0.303 745 V C -0.876 175.067 176.094 -0.252 0.000 1.042 745 V CA -0.724 61.439 62.300 -0.228 0.000 0.872 745 V CB 1.920 33.368 31.823 -0.625 0.000 0.998 745 V HN 0.528 nan 8.190 nan 0.000 0.423 746 I N 3.288 123.647 120.570 -0.352 0.000 2.291 746 I HA 0.279 4.484 4.170 0.058 0.000 0.290 746 I C 1.394 177.331 176.117 -0.300 0.000 1.050 746 I CA 0.339 61.464 61.300 -0.291 0.000 1.245 746 I CB 1.146 38.971 38.000 -0.292 0.000 1.405 746 I HN 0.794 nan 8.210 nan 0.000 0.478 747 E N 3.533 123.599 120.200 -0.225 0.000 2.077 747 E HA -0.188 4.197 4.350 0.058 0.000 0.193 747 E C 0.221 176.766 176.600 -0.092 0.000 0.989 747 E CA 1.107 57.405 56.400 -0.170 0.000 0.800 747 E CB 0.329 30.067 29.700 0.063 0.000 0.746 747 E HN 0.538 nan 8.360 nan 0.000 0.452 748 D N -0.201 120.160 120.400 -0.064 0.000 2.505 748 D HA 0.071 4.746 4.640 0.058 0.000 0.250 748 D C 0.938 177.234 176.300 -0.007 0.000 1.164 748 D CA -0.402 53.582 54.000 -0.027 0.000 0.870 748 D CB 1.147 41.939 40.800 -0.014 0.000 1.160 748 D HN 0.010 nan 8.370 nan 0.000 0.549 749 I N 2.543 123.138 120.570 0.042 0.000 2.399 749 I HA -0.266 3.939 4.170 0.058 0.000 0.254 749 I C 2.482 178.707 176.117 0.180 0.000 1.146 749 I CA 1.123 62.517 61.300 0.157 0.000 1.412 749 I CB -1.263 36.796 38.000 0.099 0.000 1.076 749 I HN 0.402 nan 8.210 nan 0.000 0.432 750 S N 0.090 115.833 115.700 0.072 0.000 2.419 750 S HA -0.111 4.394 4.470 0.058 0.000 0.233 750 S C 2.085 176.703 174.600 0.030 0.000 1.016 750 S CA 0.988 59.219 58.200 0.050 0.000 0.974 750 S CB -1.003 62.207 63.200 0.016 0.000 0.786 750 S HN 0.252 nan 8.310 nan 0.000 0.492 751 V N 0.989 120.883 119.914 -0.033 0.000 2.370 751 V HA -0.194 3.961 4.120 0.058 0.000 0.252 751 V C 2.153 178.159 176.094 -0.147 0.000 1.068 751 V CA 1.982 64.204 62.300 -0.130 0.000 1.061 751 V CB -1.234 30.444 31.823 -0.241 0.000 0.656 751 V HN 0.494 nan 8.190 nan 0.000 0.455 752 F N 0.329 120.253 119.950 -0.044 0.000 2.333 752 F HA -0.124 4.437 4.527 0.058 0.000 0.300 752 F C 1.941 177.752 175.800 0.019 0.000 1.083 752 F CA 1.379 59.358 58.000 -0.035 0.000 1.395 752 F CB -0.362 38.599 39.000 -0.065 0.000 1.056 752 F HN 0.251 nan 8.300 nan 0.000 0.529 753 D N -0.468 120.032 120.400 0.166 0.000 2.328 753 D HA 0.003 4.678 4.640 0.058 0.000 0.226 753 D C 1.188 177.544 176.300 0.094 0.000 1.066 753 D CA 0.514 54.587 54.000 0.122 0.000 0.861 753 D CB -0.030 40.802 40.800 0.053 0.000 0.912 753 D HN 0.231 nan 8.370 nan 0.000 0.521 754 K N 0.145 120.583 120.400 0.064 0.000 2.438 754 K HA 0.248 4.603 4.320 0.058 0.000 0.205 754 K C 0.561 177.182 176.600 0.034 0.000 1.033 754 K CA -0.139 56.169 56.287 0.035 0.000 1.089 754 K CB 0.758 33.256 32.500 -0.004 0.000 0.857 754 K HN 0.196 nan 8.250 nan 0.000 0.522 755 I N -2.422 118.190 120.570 0.070 0.000 2.797 755 I HA 0.218 4.423 4.170 0.058 0.000 0.310 755 I C 1.312 177.473 176.117 0.073 0.000 0.990 755 I CA -0.914 60.426 61.300 0.066 0.000 1.228 755 I CB 1.055 39.114 38.000 0.099 0.000 1.406 755 I HN -0.135 nan 8.210 nan 0.000 0.534 756 Q N 1.828 121.650 119.800 0.037 0.000 1.985 756 Q HA -0.087 4.288 4.340 0.058 0.000 0.207 756 Q C 0.624 176.609 176.000 -0.023 0.000 0.996 756 Q CA 1.752 57.558 55.803 0.005 0.000 0.851 756 Q CB -0.408 28.320 28.738 -0.016 0.000 0.921 756 Q HN 0.847 nan 8.270 nan 0.000 0.418 757 T N 1.984 116.499 114.554 -0.065 0.000 2.926 757 T HA 0.094 4.479 4.350 0.058 0.000 0.307 757 T C 0.215 174.792 174.700 -0.205 0.000 1.059 757 T CA -0.021 61.924 62.100 -0.257 0.000 1.122 757 T CB 0.230 68.762 68.868 -0.561 0.000 0.972 757 T HN 0.175 nan 8.240 nan 0.000 0.545 758 N N 1.536 120.022 118.700 -0.358 0.000 2.800 758 N HA 0.183 4.958 4.740 0.058 0.000 0.240 758 N C -0.018 175.160 175.510 -0.554 0.000 1.096 758 N CA -0.238 52.576 53.050 -0.394 0.000 0.877 758 N CB 0.661 38.764 38.487 -0.640 0.000 1.138 758 N HN 0.584 nan 8.380 nan 0.000 0.509 759 Y N 0.350 120.558 120.300 -0.154 0.000 2.421 759 Y HA -0.137 4.448 4.550 0.058 0.000 0.292 759 Y C 2.018 177.875 175.900 -0.071 0.000 1.136 759 Y CA 0.624 58.670 58.100 -0.090 0.000 1.255 759 Y CB -0.057 38.363 38.460 -0.068 0.000 0.991 759 Y HN 0.662 nan 8.280 nan 0.000 0.552 760 W N 0.542 121.896 121.300 0.090 0.000 3.316 760 W HA 0.119 4.814 4.660 0.058 0.000 0.258 760 W C 0.335 176.897 176.519 0.071 0.000 1.330 760 W CA 0.670 58.047 57.345 0.052 0.000 1.595 760 W CB -0.580 28.909 29.460 0.048 0.000 1.088 760 W HN 0.288 nan 8.180 nan 0.000 0.734 761 E N 0.072 120.093 120.200 -0.299 0.000 2.633 761 E HA 0.161 4.546 4.350 0.058 0.000 0.222 761 E C 0.350 176.832 176.600 -0.196 0.000 0.899 761 E CA -0.072 56.093 56.400 -0.390 0.000 1.292 761 E CB 0.211 29.389 29.700 -0.870 0.000 1.257 761 E HN 0.070 nan 8.360 nan 0.000 0.626 762 L N 3.013 124.172 121.223 -0.106 0.000 2.349 762 L HA 0.352 4.727 4.340 0.058 0.000 0.275 762 L C -2.278 174.558 176.870 -0.057 0.000 1.115 762 L CA -2.006 52.795 54.840 -0.064 0.000 0.820 762 L CB 0.375 42.435 42.059 0.000 0.000 1.135 762 L HN -0.126 nan 8.230 nan 0.000 0.445 763 P HA 0.078 nan 4.420 nan 0.000 0.271 763 P C -0.953 176.209 177.300 -0.230 0.000 1.220 763 P CA -0.173 62.852 63.100 -0.126 0.000 0.768 763 P CB 0.865 32.513 31.700 -0.087 0.000 0.848 764 A N 3.431 126.028 122.820 -0.372 0.000 2.786 764 A HA 0.318 4.673 4.320 0.058 0.000 0.346 764 A C -0.466 176.832 177.584 -0.475 0.000 1.265 764 A CA -0.313 51.553 52.037 -0.286 0.000 0.858 764 A CB -0.637 18.269 19.000 -0.156 0.000 1.118 764 A HN 0.578 nan 8.150 nan 0.000 0.482 765 Y N 0.349 120.539 120.300 -0.184 0.000 2.555 765 Y HA 0.061 4.646 4.550 0.058 0.000 0.259 765 Y C 1.651 177.500 175.900 -0.085 0.000 1.179 765 Y CA -0.272 57.597 58.100 -0.385 0.000 1.230 765 Y CB 0.587 38.789 38.460 -0.430 0.000 1.146 765 Y HN 0.619 nan 8.280 nan 0.000 0.526 766 E N -0.030 120.231 120.200 0.102 0.000 2.077 766 E HA -0.209 4.176 4.350 0.058 0.000 0.193 766 E C 2.224 178.957 176.600 0.222 0.000 0.989 766 E CA 1.207 57.695 56.400 0.146 0.000 0.800 766 E CB -0.506 29.242 29.700 0.080 0.000 0.746 766 E HN 0.317 nan 8.360 nan 0.000 0.452 767 S N 0.553 116.412 115.700 0.265 0.000 2.372 767 S HA -0.171 4.334 4.470 0.058 0.000 0.227 767 S C 0.281 175.142 174.600 0.436 0.000 1.044 767 S CA 0.792 59.193 58.200 0.335 0.000 1.050 767 S CB -0.326 63.106 63.200 0.388 0.000 0.901 767 S HN 0.219 nan 8.310 nan 0.000 0.447 768 W N 2.407 123.796 121.300 0.148 0.000 2.223 768 W HA 0.375 5.070 4.660 0.058 0.000 0.334 768 W C 0.752 177.347 176.519 0.126 0.000 1.334 768 W CA -1.048 56.378 57.345 0.135 0.000 1.246 768 W CB -0.528 29.039 29.460 0.177 0.000 1.184 768 W HN 0.209 nan 8.180 nan 0.000 0.563 769 N N 2.672 121.545 118.700 0.288 0.000 2.994 769 N HA 0.005 4.780 4.740 0.058 0.000 0.306 769 N C -0.696 174.919 175.510 0.175 0.000 1.348 769 N CA 0.113 53.282 53.050 0.198 0.000 1.109 769 N CB -0.218 38.342 38.487 0.121 0.000 1.415 769 N HN 0.288 nan 8.380 nan 0.000 0.529 770 E N -1.505 118.836 120.200 0.234 0.000 2.221 770 E HA 0.453 4.838 4.350 0.058 0.000 0.268 770 E C 0.542 177.219 176.600 0.129 0.000 0.933 770 E CA -0.737 55.761 56.400 0.164 0.000 0.809 770 E CB 1.629 31.455 29.700 0.209 0.000 1.190 770 E HN 0.272 nan 8.360 nan 0.000 0.406 771 G N 0.139 108.860 108.800 -0.132 0.000 3.228 771 G HA2 0.089 4.084 3.960 0.058 0.000 0.245 771 G HA3 0.089 4.084 3.960 0.058 0.000 0.245 771 G C 0.149 174.222 174.900 -1.377 0.000 1.051 771 G CA 0.147 44.888 45.100 -0.599 0.000 0.809 771 G HN 0.405 nan 8.290 nan 0.000 0.531 772 S N -1.148 114.081 115.700 -0.784 0.000 2.607 772 S HA 0.364 4.869 4.470 0.058 0.000 0.273 772 S C 0.275 174.821 174.600 -0.091 0.000 1.148 772 S CA -0.755 57.037 58.200 -0.679 0.000 0.833 772 S CB 1.550 64.539 63.200 -0.352 0.000 1.130 772 S HN -0.129 nan 8.310 nan 0.000 0.470 773 N N 1.601 120.394 118.700 0.155 0.000 2.309 773 N HA -0.062 4.713 4.740 0.058 0.000 0.182 773 N C 1.838 177.361 175.510 0.023 0.000 1.018 773 N CA 1.601 54.772 53.050 0.203 0.000 0.876 773 N CB -0.491 38.181 38.487 0.308 0.000 0.972 773 N HN 0.806 nan 8.380 nan 0.000 0.434 774 S N -0.395 115.319 115.700 0.025 0.000 2.470 774 S HA 0.183 4.688 4.470 0.058 0.000 0.225 774 S C 1.927 176.508 174.600 -0.032 0.000 1.006 774 S CA 0.510 58.700 58.200 -0.018 0.000 0.934 774 S CB -0.021 63.207 63.200 0.047 0.000 0.778 774 S HN 0.266 nan 8.310 nan 0.000 0.517 775 A N 1.405 124.213 122.820 -0.021 0.000 2.067 775 A HA 0.377 4.732 4.320 0.058 0.000 0.217 775 A C 2.122 179.739 177.584 0.056 0.000 1.156 775 A CA 0.456 52.493 52.037 0.001 0.000 0.683 775 A CB -0.598 18.391 19.000 -0.018 0.000 0.808 775 A HN 0.511 nan 8.150 nan 0.000 0.455 776 L N -1.036 120.221 121.223 0.056 0.000 2.109 776 L HA -0.127 4.248 4.340 0.058 0.000 0.207 776 L C 2.415 179.333 176.870 0.080 0.000 1.086 776 L CA 0.547 55.444 54.840 0.095 0.000 0.760 776 L CB -0.311 41.698 42.059 -0.083 0.000 0.910 776 L HN 0.373 nan 8.230 nan 0.000 0.437 777 L N 0.667 121.865 121.223 -0.041 0.000 1.997 777 L HA -0.196 4.179 4.340 0.058 0.000 0.216 777 L C -0.386 176.480 176.870 -0.007 0.000 1.074 777 L CA 2.435 57.229 54.840 -0.077 0.000 0.763 777 L CB -1.720 40.226 42.059 -0.188 0.000 0.890 777 L HN 0.110 nan 8.230 nan 0.000 0.434 778 P HA -0.110 nan 4.420 nan 0.000 0.215 778 P C 1.617 178.898 177.300 -0.031 0.000 1.153 778 P CA 1.778 64.868 63.100 -0.018 0.000 0.853 778 P CB -0.352 31.334 31.700 -0.025 0.000 0.788 779 G N -0.302 108.500 108.800 0.004 0.000 2.421 779 G HA2 -0.231 3.764 3.960 0.058 0.000 0.216 779 G HA3 -0.231 3.764 3.960 0.058 0.000 0.216 779 G C 1.412 176.345 174.900 0.055 0.000 1.171 779 G CA 0.491 45.525 45.100 -0.111 0.000 0.775 779 G HN 0.134 nan 8.290 nan 0.000 0.543 780 L N 0.472 121.855 121.223 0.267 0.000 2.043 780 L HA -0.052 4.323 4.340 0.058 0.000 0.212 780 L C 2.938 179.816 176.870 0.014 0.000 1.075 780 L CA 1.241 56.193 54.840 0.187 0.000 0.752 780 L CB -0.627 41.508 42.059 0.127 0.000 0.891 780 L HN 0.202 nan 8.230 nan 0.000 0.432 781 L N -1.687 119.502 121.223 -0.055 0.000 2.005 781 L HA -0.195 4.180 4.340 0.058 0.000 0.207 781 L C 2.725 179.536 176.870 -0.099 0.000 1.072 781 L CA 1.093 55.860 54.840 -0.122 0.000 0.744 781 L CB -0.578 41.410 42.059 -0.118 0.000 0.895 781 L HN 0.204 nan 8.230 nan 0.000 0.433 782 R N 0.061 120.501 120.500 -0.101 0.000 2.094 782 R HA -0.186 4.189 4.340 0.058 0.000 0.239 782 R C 2.250 178.470 176.300 -0.134 0.000 1.137 782 R CA 1.546 57.576 56.100 -0.117 0.000 0.943 782 R CB -0.303 29.908 30.300 -0.149 0.000 0.850 782 R HN 0.366 nan 8.270 nan 0.000 0.433 783 E N 0.239 120.321 120.200 -0.197 0.000 2.106 783 E HA -0.097 4.288 4.350 0.058 0.000 0.192 783 E C 2.072 178.617 176.600 -0.091 0.000 0.984 783 E CA 1.141 57.385 56.400 -0.260 0.000 0.806 783 E CB -0.156 29.123 29.700 -0.703 0.000 0.750 783 E HN 0.228 nan 8.360 nan 0.000 0.458 784 S N 1.389 117.071 115.700 -0.030 0.000 2.368 784 S HA -0.147 4.358 4.470 0.058 0.000 0.224 784 S C 1.945 176.548 174.600 0.005 0.000 1.029 784 S CA 1.001 59.228 58.200 0.045 0.000 0.988 784 S CB -0.150 63.052 63.200 0.003 0.000 0.838 784 S HN 0.317 nan 8.310 nan 0.000 0.462 785 Q N 1.067 120.847 119.800 -0.033 0.000 2.311 785 Q HA 0.012 4.387 4.340 0.058 0.000 0.203 785 Q C 2.217 178.206 176.000 -0.019 0.000 0.954 785 Q CA 1.160 56.946 55.803 -0.028 0.000 0.885 785 Q CB -0.169 28.546 28.738 -0.038 0.000 0.963 785 Q HN 0.663 nan 8.270 nan 0.000 0.471 786 S N 0.114 115.799 115.700 -0.025 0.000 2.515 786 S HA 0.023 4.528 4.470 0.058 0.000 0.231 786 S C 1.578 176.174 174.600 -0.007 0.000 0.987 786 S CA 0.478 58.665 58.200 -0.022 0.000 0.936 786 S CB 0.157 63.335 63.200 -0.037 0.000 0.766 786 S HN 0.115 nan 8.310 nan 0.000 0.528 787 K N 0.451 120.859 120.400 0.013 0.000 2.358 787 K HA 0.244 4.599 4.320 0.058 0.000 0.197 787 K C 1.163 177.787 176.600 0.041 0.000 1.025 787 K CA 0.570 56.874 56.287 0.028 0.000 1.104 787 K CB 0.437 32.977 32.500 0.067 0.000 0.855 787 K HN 0.552 nan 8.250 nan 0.000 0.531 788 G N 1.512 110.325 108.800 0.022 0.000 2.157 788 G HA2 -0.238 3.757 3.960 0.058 0.000 0.239 788 G HA3 -0.238 3.757 3.960 0.058 0.000 0.239 788 G C 0.144 175.050 174.900 0.009 0.000 0.982 788 G CA 0.099 45.209 45.100 0.016 0.000 0.650 788 G HN 0.175 nan 8.290 nan 0.000 0.527 789 M N -0.439 119.164 119.600 0.005 0.000 2.664 789 M HA 0.617 5.131 4.480 0.058 0.000 0.314 789 M C 1.256 177.513 176.300 -0.072 0.000 1.200 789 M CA -0.845 54.428 55.300 -0.045 0.000 0.916 789 M CB 1.557 34.139 32.600 -0.031 0.000 1.717 789 M HN 0.250 nan 8.290 nan 0.000 0.470 790 L N 0.567 121.698 121.223 -0.155 0.000 3.976 790 L HA -0.304 4.071 4.340 0.058 0.000 0.418 790 L C 1.508 178.393 176.870 0.025 0.000 1.177 790 L CA 0.390 55.155 54.840 -0.124 0.000 0.968 790 L CB -1.915 39.976 42.059 -0.280 0.000 1.933 790 L HN 0.986 nan 8.230 nan 0.000 0.976 791 S N -1.161 114.599 115.700 0.100 0.000 2.419 791 S HA -0.143 4.362 4.470 0.058 0.000 0.233 791 S C 1.330 175.835 174.600 -0.159 0.000 1.016 791 S CA 1.043 59.241 58.200 -0.003 0.000 0.974 791 S CB -0.061 63.144 63.200 0.008 0.000 0.786 791 S HN 0.588 nan 8.310 nan 0.000 0.492 792 K N 0.631 120.828 120.400 -0.338 0.000 2.627 792 K HA 0.263 4.618 4.320 0.058 0.000 0.212 792 K C -0.778 175.238 176.600 -0.973 0.000 1.041 792 K CA -0.323 55.282 56.287 -1.136 0.000 1.205 792 K CB -0.259 31.346 32.500 -1.493 0.000 0.936 792 K HN 0.375 nan 8.250 nan 0.000 0.489 793 C N 0.690 119.799 119.300 -0.317 0.000 2.351 793 C HA 0.505 5.000 4.460 0.058 0.000 0.326 793 C C 0.056 175.107 174.990 0.102 0.000 1.272 793 C CA -1.018 57.972 59.018 -0.047 0.000 1.650 793 C CB 0.665 28.336 27.740 -0.115 0.000 2.257 793 C HN 0.422 nan 8.230 nan 0.000 0.505 794 R N 2.426 123.104 120.500 0.296 0.000 2.535 794 R HA 0.565 4.940 4.340 0.058 0.000 0.274 794 R C -1.684 174.789 176.300 0.287 0.000 1.090 794 R CA -0.481 55.785 56.100 0.275 0.000 0.930 794 R CB 1.327 31.828 30.300 0.335 0.000 1.223 794 R HN 0.773 nan 8.270 nan 0.000 0.441 795 I N 5.567 126.244 120.570 0.178 0.000 2.315 795 I HA 0.358 4.563 4.170 0.058 0.000 0.291 795 I C -0.070 176.142 176.117 0.159 0.000 1.006 795 I CA -0.369 61.025 61.300 0.157 0.000 1.265 795 I CB 1.215 39.261 38.000 0.076 0.000 1.387 795 I HN 0.376 nan 8.210 nan 0.000 0.475 796 I N 5.712 126.420 120.570 0.228 0.000 2.418 796 I HA 0.189 4.394 4.170 0.058 0.000 0.287 796 I C 0.345 176.548 176.117 0.143 0.000 1.008 796 I CA -0.530 60.867 61.300 0.161 0.000 1.104 796 I CB 1.523 39.602 38.000 0.133 0.000 1.264 796 I HN 0.682 nan 8.210 nan 0.000 0.438 797 E N 6.399 126.648 120.200 0.082 0.000 2.210 797 E HA -0.327 4.058 4.350 0.058 0.000 0.201 797 E C 0.549 177.187 176.600 0.062 0.000 1.339 797 E CA 0.860 57.298 56.400 0.064 0.000 0.699 797 E CB -0.745 28.995 29.700 0.067 0.000 1.126 797 E HN 0.921 nan 8.360 nan 0.000 0.355 798 N N -0.914 117.814 118.700 0.047 0.000 2.965 798 N HA -0.183 4.592 4.740 0.058 0.000 0.232 798 N C -1.128 174.385 175.510 0.004 0.000 0.913 798 N CA 1.230 54.298 53.050 0.029 0.000 0.981 798 N CB -0.739 37.764 38.487 0.027 0.000 1.077 798 N HN 0.244 nan 8.380 nan 0.000 0.589 799 S N 0.570 116.268 115.700 -0.004 0.000 2.503 799 S HA 0.619 5.124 4.470 0.058 0.000 0.301 799 S C -0.461 173.987 174.600 -0.253 0.000 1.087 799 S CA -0.668 57.427 58.200 -0.175 0.000 1.042 799 S CB 2.677 65.720 63.200 -0.263 0.000 1.043 799 S HN 0.319 nan 8.310 nan 0.000 0.489 800 L N 3.431 124.439 121.223 -0.359 0.000 2.295 800 L HA 0.566 4.940 4.340 0.058 0.000 0.285 800 L C -1.829 174.773 176.870 -0.446 0.000 1.035 800 L CA -0.258 54.457 54.840 -0.208 0.000 0.806 800 L CB 0.235 42.293 42.059 -0.001 0.000 1.214 800 L HN 0.623 nan 8.230 nan 0.000 0.426 801 Y N 5.622 125.997 120.300 0.124 0.000 2.328 801 Y HA 0.589 5.174 4.550 0.058 0.000 0.336 801 Y C -0.304 175.792 175.900 0.326 0.000 0.960 801 Y CA -0.572 57.636 58.100 0.180 0.000 1.134 801 Y CB 1.414 39.952 38.460 0.131 0.000 1.166 801 Y HN 0.392 nan 8.280 nan 0.000 0.464 802 I N 2.229 123.046 120.570 0.411 0.000 2.389 802 I HA 0.373 4.578 4.170 0.058 0.000 0.288 802 I C 0.867 177.098 176.117 0.189 0.000 0.999 802 I CA -0.246 61.256 61.300 0.337 0.000 1.129 802 I CB 1.959 40.261 38.000 0.503 0.000 1.288 802 I HN 0.953 nan 8.210 nan 0.000 0.444 803 G N 4.541 113.254 108.800 -0.146 0.000 3.126 803 G HA2 0.081 4.076 3.960 0.058 0.000 0.224 803 G HA3 0.081 4.076 3.960 0.058 0.000 0.224 803 G C 0.513 175.220 174.900 -0.321 0.000 1.142 803 G CA -0.074 44.858 45.100 -0.279 0.000 0.759 803 G HN 0.503 nan 8.290 nan 0.000 0.550 804 H N 0.707 119.784 119.070 0.011 0.000 2.502 804 H HA 0.336 4.927 4.556 0.058 0.000 0.327 804 H C 0.075 175.561 175.328 0.263 0.000 1.099 804 H CA -0.344 55.757 56.048 0.089 0.000 1.323 804 H CB 1.767 31.585 29.762 0.093 0.000 1.450 804 H HN 0.119 nan 8.280 nan 0.000 0.502 805 S N 2.859 118.762 115.700 0.338 0.000 2.549 805 S HA -0.074 4.430 4.470 0.058 0.000 0.279 805 S C 1.536 176.404 174.600 0.446 0.000 1.321 805 S CA -0.475 57.975 58.200 0.417 0.000 1.054 805 S CB 0.215 63.579 63.200 0.274 0.000 0.899 805 S HN 0.647 nan 8.310 nan 0.000 0.497 806 Y N 3.828 124.366 120.300 0.397 0.000 2.139 806 Y HA -0.270 4.315 4.550 0.059 0.000 0.282 806 Y C 1.837 177.730 175.900 -0.011 0.000 1.179 806 Y CA 2.434 60.484 58.100 -0.083 0.000 1.161 806 Y CB -0.117 38.116 38.460 -0.379 0.000 0.970 806 Y HN 0.826 nan 8.280 nan 0.000 0.511 807 E N 0.088 120.246 120.200 -0.071 0.000 2.216 807 E HA -0.153 4.232 4.350 0.058 0.000 0.192 807 E C 2.041 178.674 176.600 0.054 0.000 0.988 807 E CA 1.036 57.385 56.400 -0.085 0.000 0.834 807 E CB -0.157 29.603 29.700 0.099 0.000 0.772 807 E HN 0.664 nan 8.360 nan 0.000 0.479 808 E N 0.506 120.738 120.200 0.053 0.000 2.072 808 E HA -0.187 4.198 4.350 0.058 0.000 0.191 808 E C 1.887 178.432 176.600 -0.092 0.000 0.985 808 E CA 0.991 57.408 56.400 0.028 0.000 0.801 808 E CB -0.004 29.739 29.700 0.073 0.000 0.750 808 E HN 0.245 nan 8.360 nan 0.000 0.452 809 M N -0.171 119.330 119.600 -0.166 0.000 2.132 809 M HA -0.090 4.425 4.480 0.058 0.000 0.263 809 M C 2.161 178.001 176.300 -0.767 0.000 1.065 809 M CA 1.203 56.245 55.300 -0.430 0.000 1.122 809 M CB -0.260 32.125 32.600 -0.358 0.000 1.365 809 M HN 0.189 nan 8.290 nan 0.000 0.411 810 F N -0.120 119.319 119.950 -0.851 0.000 2.113 810 F HA -0.228 4.334 4.527 0.057 0.000 0.297 810 F C 1.822 177.309 175.800 -0.522 0.000 1.103 810 F CA 1.646 59.165 58.000 -0.801 0.000 1.248 810 F CB -0.351 38.202 39.000 -0.747 0.000 0.999 810 F HN 0.002 nan 8.300 nan 0.000 0.475 811 Y N -0.461 119.730 120.300 -0.182 0.000 2.516 811 Y HA -0.083 4.501 4.550 0.058 0.000 0.291 811 Y C 2.582 178.346 175.900 -0.225 0.000 1.131 811 Y CA 0.909 58.904 58.100 -0.174 0.000 1.281 811 Y CB -0.171 38.272 38.460 -0.029 0.000 1.013 811 Y HN 0.211 nan 8.280 nan 0.000 0.554 812 S N -1.715 113.902 115.700 -0.139 0.000 2.511 812 S HA 0.139 4.644 4.470 0.058 0.000 0.214 812 S C 1.256 175.726 174.600 -0.218 0.000 0.997 812 S CA 0.034 58.132 58.200 -0.170 0.000 0.908 812 S CB -0.166 62.927 63.200 -0.178 0.000 0.803 812 S HN 0.406 nan 8.310 nan 0.000 0.504 813 I N 1.403 121.798 120.570 -0.290 0.000 3.565 813 I HA 0.225 4.430 4.170 0.058 0.000 0.287 813 I C 0.139 176.197 176.117 -0.099 0.000 1.193 813 I CA 0.461 61.646 61.300 -0.192 0.000 1.402 813 I CB 0.833 38.704 38.000 -0.215 0.000 1.284 813 I HN 0.428 nan 8.210 nan 0.000 0.454 814 S N 0.794 116.331 115.700 -0.271 0.000 2.441 814 S HA 0.301 4.806 4.470 0.058 0.000 0.187 814 S C -2.677 171.536 174.600 -0.644 0.000 0.917 814 S CA -0.668 57.423 58.200 -0.181 0.000 1.078 814 S CB 1.018 64.362 63.200 0.240 0.000 1.379 814 S HN -0.059 nan 8.310 nan 0.000 0.399 815 P HA 0.276 nan 4.420 nan 0.000 0.290 815 P C -0.454 176.771 177.300 -0.126 0.000 1.447 815 P CA 0.007 62.660 63.100 -0.745 0.000 1.127 815 P CB -0.506 30.817 31.700 -0.628 0.000 1.555 816 Y N -3.051 117.193 120.300 -0.094 0.000 2.598 816 Y HA 0.835 5.420 4.550 0.059 0.000 0.340 816 Y C 0.642 176.528 175.900 -0.023 0.000 1.038 816 Y CA -0.975 57.067 58.100 -0.097 0.000 1.100 816 Y CB 0.733 39.177 38.460 -0.027 0.000 1.281 816 Y HN -0.298 nan 8.280 nan 0.000 0.488 817 S N 0.034 115.789 115.700 0.092 0.000 3.420 817 S HA 0.311 4.816 4.470 0.058 0.000 0.173 817 S C -0.666 173.925 174.600 -0.015 0.000 0.800 817 S CA -0.262 58.011 58.200 0.121 0.000 0.963 817 S CB -0.408 62.862 63.200 0.116 0.000 1.236 817 S HN 0.879 nan 8.310 nan 0.000 0.827 818 N N 1.382 120.018 118.700 -0.106 0.000 2.417 818 N HA 0.494 5.268 4.740 0.058 0.000 0.300 818 N C -1.848 173.521 175.510 -0.234 0.000 1.102 818 N CA -0.492 52.525 53.050 -0.054 0.000 0.886 818 N CB 1.453 39.806 38.487 -0.223 0.000 1.203 818 N HN 0.401 nan 8.380 nan 0.000 0.496 819 Q N -0.286 119.462 119.800 -0.087 0.000 2.406 819 Q HA 0.337 4.711 4.340 0.058 0.000 0.244 819 Q C -0.665 175.323 176.000 -0.021 0.000 0.884 819 Q CA -0.938 54.775 55.803 -0.151 0.000 0.813 819 Q CB 1.089 29.678 28.738 -0.249 0.000 1.368 819 Q HN 0.539 nan 8.270 nan 0.000 0.439 820 V N -0.383 119.518 119.914 -0.021 0.000 3.295 820 V HA 0.957 5.112 4.120 0.058 0.000 0.308 820 V C 0.372 176.451 176.094 -0.026 0.000 1.068 820 V CA 0.459 62.718 62.300 -0.068 0.000 1.062 820 V CB 1.136 32.918 31.823 -0.067 0.000 1.162 820 V HN 0.806 nan 8.190 nan 0.000 0.456 821 G N -1.114 107.622 108.800 -0.107 0.000 2.579 821 G HA2 0.584 4.579 3.960 0.058 0.000 0.160 821 G HA3 0.584 4.579 3.960 0.058 0.000 0.160 821 G C 0.722 175.494 174.900 -0.212 0.000 1.386 821 G CA 0.347 45.353 45.100 -0.156 0.000 0.713 821 G HN 2.245 nan 8.290 nan 0.000 0.688 822 G N 0.623 109.289 108.800 -0.225 0.000 3.081 822 G HA2 0.088 4.083 3.960 0.058 0.000 0.603 822 G HA3 0.088 4.083 3.960 0.058 0.000 0.603 822 G C -1.274 173.491 174.900 -0.226 0.000 1.106 822 G CA 0.197 45.183 45.100 -0.190 0.000 1.001 822 G HN 0.550 nan 8.290 nan 0.000 0.445 823 P HA 0.103 nan 4.420 nan 0.000 0.245 823 P C 0.155 177.120 177.300 -0.558 0.000 1.199 823 P CA 0.577 63.455 63.100 -0.370 0.000 0.807 823 P CB 0.360 31.836 31.700 -0.374 0.000 1.002 824 Y N 1.260 121.376 120.300 -0.307 0.000 2.454 824 Y HA 0.198 4.783 4.550 0.058 0.000 0.345 824 Y C 1.364 177.130 175.900 -0.223 0.000 0.970 824 Y CA -0.608 57.344 58.100 -0.246 0.000 1.204 824 Y CB 0.438 38.737 38.460 -0.268 0.000 1.122 824 Y HN -0.171 nan 8.280 nan 0.000 0.514 825 E N 1.797 121.969 120.200 -0.047 0.000 2.585 825 E HA -0.028 4.357 4.350 0.058 0.000 0.256 825 E C 1.042 177.559 176.600 -0.137 0.000 1.383 825 E CA -0.106 56.197 56.400 -0.162 0.000 1.029 825 E CB 0.776 30.337 29.700 -0.231 0.000 1.044 825 E HN 0.544 nan 8.360 nan 0.000 0.595 826 L N 0.765 121.808 121.223 -0.300 0.000 2.093 826 L HA -0.175 4.200 4.340 0.058 0.000 0.208 826 L C 2.182 179.118 176.870 0.110 0.000 1.085 826 L CA 1.635 56.414 54.840 -0.101 0.000 0.755 826 L CB -1.145 40.758 42.059 -0.261 0.000 0.904 826 L HN 0.517 nan 8.230 nan 0.000 0.435 827 Y N 0.447 120.901 120.300 0.256 0.000 2.081 827 Y HA -0.159 4.426 4.550 0.059 0.000 0.280 827 Y C -0.047 175.977 175.900 0.207 0.000 1.163 827 Y CA 1.170 59.425 58.100 0.257 0.000 1.135 827 Y CB -2.525 36.082 38.460 0.245 0.000 0.970 827 Y HN 0.262 nan 8.280 nan 0.000 0.498 828 P HA -0.175 nan 4.420 nan 0.000 0.217 828 P C 1.601 179.097 177.300 0.328 0.000 1.150 828 P CA 1.457 64.711 63.100 0.257 0.000 0.832 828 P CB -0.322 31.466 31.700 0.148 0.000 0.787 829 F N -0.039 120.005 119.950 0.157 0.000 2.234 829 F HA -0.144 4.418 4.527 0.059 0.000 0.299 829 F C 1.784 177.692 175.800 0.181 0.000 1.087 829 F CA 1.418 59.514 58.000 0.160 0.000 1.340 829 F CB -0.656 38.396 39.000 0.086 0.000 1.031 829 F HN -0.159 nan 8.300 nan 0.000 0.500 830 T N 0.713 115.291 114.554 0.040 0.000 2.770 830 T HA -0.152 4.233 4.350 0.058 0.000 0.263 830 T C 1.554 176.106 174.700 -0.247 0.000 1.039 830 T CA 1.363 63.365 62.100 -0.163 0.000 1.142 830 T CB -0.677 68.222 68.868 0.051 0.000 0.868 830 T HN 0.370 nan 8.240 nan 0.000 0.435 831 F N 1.358 121.218 119.950 -0.150 0.000 2.027 831 F HA -0.170 4.392 4.527 0.058 0.000 0.297 831 F C 1.919 177.698 175.800 -0.034 0.000 1.129 831 F CA 1.419 59.350 58.000 -0.115 0.000 1.195 831 F CB -0.671 38.330 39.000 0.002 0.000 0.960 831 F HN 0.174 nan 8.300 nan 0.000 0.485 832 F N 0.192 120.118 119.950 -0.041 0.000 2.216 832 F HA -0.188 4.374 4.527 0.058 0.000 0.300 832 F C 2.485 178.199 175.800 -0.142 0.000 1.085 832 F CA 1.629 59.585 58.000 -0.073 0.000 1.326 832 F CB -0.398 38.648 39.000 0.076 0.000 1.027 832 F HN -0.042 nan 8.300 nan 0.000 0.497 833 S N 0.521 116.052 115.700 -0.281 0.000 2.368 833 S HA -0.214 4.291 4.470 0.058 0.000 0.225 833 S C 1.985 176.423 174.600 -0.272 0.000 1.030 833 S CA 1.564 59.565 58.200 -0.331 0.000 0.999 833 S CB -0.322 62.605 63.200 -0.454 0.000 0.844 833 S HN 0.378 nan 8.310 nan 0.000 0.459 834 M N 0.818 120.169 119.600 -0.415 0.000 2.108 834 M HA -0.106 4.409 4.480 0.058 0.000 0.261 834 M C 2.030 178.299 176.300 -0.051 0.000 1.066 834 M CA 1.391 56.542 55.300 -0.249 0.000 1.107 834 M CB -0.730 31.677 32.600 -0.321 0.000 1.356 834 M HN 0.274 nan 8.290 nan 0.000 0.406 835 L N -0.282 120.837 121.223 -0.173 0.000 2.046 835 L HA -0.245 4.130 4.340 0.058 0.000 0.208 835 L C 2.541 179.385 176.870 -0.043 0.000 1.077 835 L CA 1.450 56.186 54.840 -0.172 0.000 0.747 835 L CB -0.596 41.308 42.059 -0.259 0.000 0.896 835 L HN 0.397 nan 8.230 nan 0.000 0.432 836 Q N -0.529 119.171 119.800 -0.168 0.000 2.167 836 Q HA -0.198 4.177 4.340 0.058 0.000 0.202 836 Q C 2.074 178.043 176.000 -0.052 0.000 0.970 836 Q CA 1.163 56.903 55.803 -0.105 0.000 0.855 836 Q CB 0.046 28.673 28.738 -0.185 0.000 0.911 836 Q HN 0.524 nan 8.270 nan 0.000 0.438 837 E N -0.214 119.962 120.200 -0.040 0.000 2.072 837 E HA -0.136 4.249 4.350 0.058 0.000 0.190 837 E C 2.090 178.662 176.600 -0.046 0.000 0.982 837 E CA 1.003 57.396 56.400 -0.012 0.000 0.803 837 E CB 0.168 29.904 29.700 0.061 0.000 0.755 837 E HN 0.118 nan 8.360 nan 0.000 0.453 838 V N 1.632 121.502 119.914 -0.073 0.000 2.287 838 V HA -0.315 3.840 4.120 0.058 0.000 0.248 838 V C 2.571 178.612 176.094 -0.089 0.000 1.053 838 V CA 2.072 64.299 62.300 -0.121 0.000 1.027 838 V CB -0.574 31.069 31.823 -0.300 0.000 0.646 838 V HN 0.342 nan 8.190 nan 0.000 0.447 839 Q N -0.159 119.605 119.800 -0.061 0.000 2.077 839 Q HA -0.104 4.271 4.340 0.058 0.000 0.206 839 Q C 1.588 177.428 176.000 -0.266 0.000 0.989 839 Q CA 1.853 57.443 55.803 -0.356 0.000 0.853 839 Q CB -0.348 28.204 28.738 -0.310 0.000 0.907 839 Q HN 0.706 nan 8.270 nan 0.000 0.418 840 G N 0.710 109.417 108.800 -0.154 0.000 2.583 840 G HA2 -0.360 3.635 3.960 0.058 0.000 0.292 840 G HA3 -0.360 3.635 3.960 0.058 0.000 0.292 840 G C 0.099 174.923 174.900 -0.126 0.000 1.203 840 G CA 0.350 45.377 45.100 -0.122 0.000 0.987 840 G HN 0.539 nan 8.290 nan 0.000 0.554 841 D N 1.003 121.329 120.400 -0.123 0.000 2.363 841 D HA 0.123 4.798 4.640 0.058 0.000 0.220 841 D C 1.637 177.853 176.300 -0.140 0.000 0.994 841 D CA 0.485 54.419 54.000 -0.111 0.000 0.890 841 D CB 0.019 40.763 40.800 -0.093 0.000 0.906 841 D HN 0.377 nan 8.370 nan 0.000 0.530 842 L N 0.182 121.288 121.223 -0.195 0.000 2.479 842 L HA 0.341 4.716 4.340 0.058 0.000 0.249 842 L C 1.370 178.099 176.870 -0.236 0.000 1.178 842 L CA -0.768 53.934 54.840 -0.232 0.000 0.811 842 L CB 0.433 42.301 42.059 -0.319 0.000 1.187 842 L HN -0.099 nan 8.230 nan 0.000 0.480 843 G N -0.736 107.932 108.800 -0.220 0.000 2.432 843 G HA2 0.115 4.110 3.960 0.058 0.000 0.257 843 G HA3 0.115 4.110 3.960 0.058 0.000 0.257 843 G C 0.259 174.980 174.900 -0.299 0.000 1.238 843 G CA -0.323 44.658 45.100 -0.198 0.000 0.838 843 G HN 0.613 nan 8.290 nan 0.000 0.547 844 F N 1.458 121.114 119.950 -0.489 0.000 2.065 844 F HA -0.170 4.393 4.527 0.059 0.000 0.298 844 F C 2.518 178.076 175.800 -0.404 0.000 1.112 844 F CA 2.377 60.012 58.000 -0.607 0.000 1.212 844 F CB 0.174 38.588 39.000 -0.977 0.000 0.975 844 F HN 0.545 nan 8.300 nan 0.000 0.476 845 E N -0.142 120.080 120.200 0.036 0.000 2.106 845 E HA -0.244 4.141 4.350 0.058 0.000 0.192 845 E C 2.117 178.832 176.600 0.191 0.000 0.984 845 E CA 1.182 57.757 56.400 0.291 0.000 0.806 845 E CB -0.515 29.458 29.700 0.454 0.000 0.750 845 E HN 0.585 nan 8.360 nan 0.000 0.458 846 Q N 0.201 120.024 119.800 0.038 0.000 2.152 846 Q HA -0.210 4.165 4.340 0.058 0.000 0.206 846 Q C 1.873 177.651 176.000 -0.371 0.000 0.985 846 Q CA 1.813 57.567 55.803 -0.081 0.000 0.863 846 Q CB -0.100 28.570 28.738 -0.114 0.000 0.904 846 Q HN 0.330 nan 8.270 nan 0.000 0.422 847 A N -1.024 121.488 122.820 -0.513 0.000 1.956 847 A HA 0.094 4.449 4.320 0.058 0.000 0.212 847 A C 1.430 178.709 177.584 -0.508 0.000 1.188 847 A CA 0.384 52.008 52.037 -0.689 0.000 0.675 847 A CB -0.205 18.142 19.000 -1.088 0.000 0.845 847 A HN 0.470 nan 8.150 nan 0.000 0.455 848 F N -0.376 119.398 119.950 -0.294 0.000 2.694 848 F HA 0.406 4.967 4.527 0.058 0.000 0.292 848 F C 1.504 177.389 175.800 0.143 0.000 1.121 848 F CA -0.079 57.801 58.000 -0.201 0.000 1.352 848 F CB 0.242 38.933 39.000 -0.516 0.000 1.107 848 F HN 0.152 nan 8.300 nan 0.000 0.597 849 A N 1.297 124.413 122.820 0.494 0.000 2.445 849 A HA 0.307 4.662 4.320 0.058 0.000 0.242 849 A C 0.625 178.624 177.584 0.691 0.000 1.075 849 A CA -0.044 52.448 52.037 0.759 0.000 0.777 849 A CB -0.173 19.395 19.000 0.947 0.000 1.013 849 A HN 0.273 nan 8.150 nan 0.000 0.493 850 T N -0.269 114.657 114.554 0.620 0.000 2.900 850 T HA 0.200 4.585 4.350 0.058 0.000 0.307 850 T C 1.159 176.148 174.700 0.481 0.000 1.065 850 T CA 0.020 62.455 62.100 0.558 0.000 1.105 850 T CB 0.625 69.755 68.868 0.437 0.000 0.979 850 T HN 0.686 nan 8.240 nan 0.000 0.544 851 R N 2.055 122.696 120.500 0.234 0.000 2.091 851 R HA -0.165 4.210 4.340 0.058 0.000 0.238 851 R C 2.322 178.628 176.300 0.010 0.000 1.136 851 R CA 2.177 58.152 56.100 -0.209 0.000 0.959 851 R CB -1.356 28.719 30.300 -0.375 0.000 0.856 851 R HN 0.913 nan 8.270 nan 0.000 0.437 852 N N -0.545 118.220 118.700 0.108 0.000 2.043 852 N HA -0.240 4.535 4.740 0.058 0.000 0.193 852 N C 1.734 177.366 175.510 0.202 0.000 1.037 852 N CA 1.803 54.932 53.050 0.132 0.000 0.851 852 N CB -0.366 38.207 38.487 0.142 0.000 1.027 852 N HN 0.311 nan 8.380 nan 0.000 0.422 853 F N 0.891 120.925 119.950 0.140 0.000 2.186 853 F HA -0.055 4.507 4.527 0.058 0.000 0.299 853 F C 2.182 178.088 175.800 0.177 0.000 1.090 853 F CA 0.844 58.928 58.000 0.139 0.000 1.307 853 F CB -0.821 38.253 39.000 0.122 0.000 1.019 853 F HN 0.032 nan 8.300 nan 0.000 0.489 854 F N 1.458 121.436 119.950 0.047 0.000 2.069 854 F HA -0.295 4.267 4.527 0.059 0.000 0.298 854 F C 2.244 177.953 175.800 -0.151 0.000 1.113 854 F CA 2.212 60.187 58.000 -0.042 0.000 1.214 854 F CB -0.735 38.309 39.000 0.073 0.000 0.978 854 F HN -0.076 nan 8.300 nan 0.000 0.474 855 N N -0.294 118.453 118.700 0.078 0.000 2.104 855 N HA -0.154 4.621 4.740 0.058 0.000 0.190 855 N C 1.827 177.273 175.510 -0.108 0.000 1.024 855 N CA 2.000 55.042 53.050 -0.013 0.000 0.853 855 N CB -1.021 37.477 38.487 0.017 0.000 1.008 855 N HN 0.298 nan 8.380 nan 0.000 0.424 856 T N 1.321 115.809 114.554 -0.109 0.000 2.821 856 T HA -0.048 4.337 4.350 0.058 0.000 0.267 856 T C 1.886 176.463 174.700 -0.205 0.000 1.046 856 T CA 0.394 62.429 62.100 -0.108 0.000 1.139 856 T CB -0.237 68.613 68.868 -0.030 0.000 0.871 856 T HN 0.036 nan 8.240 nan 0.000 0.454 857 L N 1.270 122.254 121.223 -0.398 0.000 1.994 857 L HA -0.026 4.349 4.340 0.058 0.000 0.208 857 L C 2.511 179.190 176.870 -0.319 0.000 1.071 857 L CA 1.461 56.051 54.840 -0.416 0.000 0.745 857 L CB -0.920 40.759 42.059 -0.634 0.000 0.892 857 L HN 0.070 nan 8.230 nan 0.000 0.431 858 V N -0.309 119.365 119.914 -0.401 0.000 2.252 858 V HA -0.354 3.801 4.120 0.058 0.000 0.249 858 V C 2.560 178.509 176.094 -0.241 0.000 1.056 858 V CA 2.180 64.271 62.300 -0.349 0.000 1.022 858 V CB -1.071 30.546 31.823 -0.343 0.000 0.641 858 V HN 0.687 nan 8.190 nan 0.000 0.445 859 S N -0.704 114.887 115.700 -0.182 0.000 2.414 859 S HA -0.161 4.344 4.470 0.058 0.000 0.227 859 S C 1.630 176.148 174.600 -0.135 0.000 1.022 859 S CA 1.102 59.209 58.200 -0.154 0.000 0.958 859 S CB -0.437 62.732 63.200 -0.052 0.000 0.797 859 S HN 0.553 nan 8.310 nan 0.000 0.493 860 D N 1.905 122.258 120.400 -0.079 0.000 2.104 860 D HA -0.050 4.625 4.640 0.058 0.000 0.194 860 D C 2.252 178.574 176.300 0.036 0.000 0.994 860 D CA 0.954 54.949 54.000 -0.008 0.000 0.830 860 D CB -0.210 40.609 40.800 0.031 0.000 0.959 860 D HN 0.295 nan 8.370 nan 0.000 0.452 861 R N 0.188 120.705 120.500 0.027 0.000 2.081 861 R HA -0.052 4.323 4.340 0.058 0.000 0.235 861 R C 2.581 178.969 176.300 0.147 0.000 1.131 861 R CA 0.514 56.707 56.100 0.155 0.000 0.960 861 R CB -0.724 29.565 30.300 -0.018 0.000 0.856 861 R HN 0.304 nan 8.270 nan 0.000 0.436 862 L N 0.295 121.454 121.223 -0.107 0.000 2.027 862 L HA -0.119 4.256 4.340 0.058 0.000 0.206 862 L C 2.564 179.159 176.870 -0.459 0.000 1.074 862 L CA 1.085 55.652 54.840 -0.456 0.000 0.745 862 L CB -0.487 40.825 42.059 -1.246 0.000 0.898 862 L HN 0.075 nan 8.230 nan 0.000 0.433 863 S N 0.330 115.848 115.700 -0.303 0.000 2.359 863 S HA -0.209 4.296 4.470 0.058 0.000 0.222 863 S C 1.978 176.586 174.600 0.014 0.000 1.038 863 S CA 1.578 59.780 58.200 0.002 0.000 1.051 863 S CB -0.469 62.755 63.200 0.041 0.000 0.944 863 S HN 0.267 nan 8.310 nan 0.000 0.433 864 L N 0.350 121.578 121.223 0.008 0.000 2.046 864 L HA -0.134 4.241 4.340 0.058 0.000 0.208 864 L C 2.583 179.407 176.870 -0.077 0.000 1.077 864 L CA 1.220 56.039 54.840 -0.034 0.000 0.747 864 L CB -0.477 41.558 42.059 -0.040 0.000 0.896 864 L HN 0.337 nan 8.230 nan 0.000 0.432 865 M N 0.353 119.920 119.600 -0.056 0.000 2.080 865 M HA -0.270 4.245 4.480 0.058 0.000 0.260 865 M C 2.124 178.352 176.300 -0.121 0.000 1.068 865 M CA 1.865 57.039 55.300 -0.210 0.000 1.109 865 M CB -0.534 31.632 32.600 -0.724 0.000 1.342 865 M HN 0.180 nan 8.290 nan 0.000 0.405 866 E N -0.717 119.470 120.200 -0.021 0.000 2.118 866 E HA -0.273 4.112 4.350 0.058 0.000 0.195 866 E C 1.824 178.440 176.600 0.026 0.000 0.992 866 E CA 1.705 58.148 56.400 0.071 0.000 0.804 866 E CB -0.262 29.577 29.700 0.232 0.000 0.741 866 E HN 0.734 nan 8.360 nan 0.000 0.458 867 N N -1.020 117.677 118.700 -0.005 0.000 2.166 867 N HA -0.109 4.666 4.740 0.058 0.000 0.186 867 N C 1.583 177.049 175.510 -0.074 0.000 1.019 867 N CA 1.807 54.835 53.050 -0.037 0.000 0.856 867 N CB 0.093 38.543 38.487 -0.062 0.000 0.993 867 N HN 0.040 nan 8.380 nan 0.000 0.426 868 T N 0.120 114.611 114.554 -0.105 0.000 2.821 868 T HA -0.051 4.334 4.350 0.058 0.000 0.267 868 T C 1.822 176.481 174.700 -0.067 0.000 1.046 868 T CA 0.949 62.972 62.100 -0.127 0.000 1.139 868 T CB -0.089 68.683 68.868 -0.160 0.000 0.871 868 T HN 0.237 nan 8.240 nan 0.000 0.454 869 M N 0.179 119.759 119.600 -0.033 0.000 2.099 869 M HA 0.001 4.516 4.480 0.058 0.000 0.262 869 M C 2.149 178.464 176.300 0.025 0.000 1.067 869 M CA 1.257 56.562 55.300 0.008 0.000 1.124 869 M CB -0.436 32.181 32.600 0.029 0.000 1.353 869 M HN 0.129 nan 8.290 nan 0.000 0.410 870 L N 0.199 121.435 121.223 0.023 0.000 2.079 870 L HA -0.206 4.169 4.340 0.058 0.000 0.210 870 L C 2.242 179.139 176.870 0.044 0.000 1.081 870 L CA 1.487 56.348 54.840 0.034 0.000 0.752 870 L CB -0.723 41.352 42.059 0.027 0.000 0.896 870 L HN 0.219 nan 8.230 nan 0.000 0.433 871 L N -0.996 120.240 121.223 0.021 0.000 2.046 871 L HA -0.223 4.152 4.340 0.058 0.000 0.208 871 L C 2.650 179.607 176.870 0.144 0.000 1.077 871 L CA 2.385 57.256 54.840 0.051 0.000 0.747 871 L CB -0.876 41.135 42.059 -0.080 0.000 0.896 871 L HN 0.567 nan 8.230 nan 0.000 0.432 872 T N -3.541 111.067 114.554 0.090 0.000 2.867 872 T HA -0.111 4.274 4.350 0.058 0.000 0.268 872 T C 0.867 175.629 174.700 0.105 0.000 1.057 872 T CA 0.084 62.235 62.100 0.086 0.000 1.136 872 T CB -0.661 68.232 68.868 0.043 0.000 0.874 872 T HN 0.358 nan 8.240 nan 0.000 0.466 873 E N 2.026 122.281 120.200 0.093 0.000 2.558 873 E HA 0.141 4.526 4.350 0.058 0.000 0.255 873 E C 0.083 176.742 176.600 0.098 0.000 0.968 873 E CA 0.227 56.679 56.400 0.087 0.000 0.939 873 E CB 0.069 29.812 29.700 0.070 0.000 0.921 873 E HN 0.447 nan 8.360 nan 0.000 0.477 874 S N 1.422 117.174 115.700 0.087 0.000 3.521 874 S HA -0.273 4.232 4.470 0.058 0.000 0.328 874 S C 0.025 174.652 174.600 0.045 0.000 1.165 874 S CA 0.579 58.815 58.200 0.061 0.000 0.941 874 S CB -1.590 61.632 63.200 0.036 0.000 0.951 874 S HN 0.564 nan 8.310 nan 0.000 0.539 875 F N 2.573 122.467 119.950 -0.093 0.000 2.529 875 F HA 0.374 4.935 4.527 0.057 0.000 0.365 875 F C 0.563 176.229 175.800 -0.224 0.000 1.102 875 F CA -0.377 57.492 58.000 -0.218 0.000 1.271 875 F CB 0.487 39.251 39.000 -0.393 0.000 1.120 875 F HN 0.079 nan 8.300 nan 0.000 0.579 876 D N 4.738 124.557 120.400 -0.968 0.000 2.373 876 D HA 0.151 4.826 4.640 0.058 0.000 0.227 876 D C -0.136 175.752 176.300 -0.687 0.000 1.091 876 D CA -0.110 53.540 54.000 -0.583 0.000 0.840 876 D CB 0.403 40.971 40.800 -0.387 0.000 1.060 876 D HN 0.518 nan 8.370 nan 0.000 0.502 877 Y N 1.734 121.912 120.300 -0.204 0.000 2.529 877 Y HA -0.029 4.556 4.550 0.057 0.000 0.290 877 Y C 2.179 178.096 175.900 0.028 0.000 1.177 877 Y CA 0.287 58.380 58.100 -0.012 0.000 1.305 877 Y CB 0.258 38.771 38.460 0.089 0.000 1.047 877 Y HN 0.403 nan 8.280 nan 0.000 0.522 878 T N 0.794 115.384 114.554 0.060 0.000 2.595 878 T HA -0.154 4.231 4.350 0.058 0.000 0.264 878 T C -0.389 174.338 174.700 0.044 0.000 1.058 878 T CA 1.573 63.698 62.100 0.042 0.000 1.166 878 T CB -1.267 67.592 68.868 -0.016 0.000 0.863 878 T HN 0.189 nan 8.240 nan 0.000 0.415 879 P HA -0.078 nan 4.420 nan 0.000 0.218 879 P C 0.875 178.230 177.300 0.093 0.000 1.148 879 P CA 0.863 63.975 63.100 0.021 0.000 0.822 879 P CB -0.090 31.609 31.700 -0.002 0.000 0.784 880 W N 0.571 121.884 121.300 0.023 0.000 2.443 880 W HA -0.060 4.633 4.660 0.056 0.000 0.296 880 W C 1.728 178.299 176.519 0.088 0.000 1.202 880 W CA 1.142 58.562 57.345 0.126 0.000 1.312 880 W CB -0.385 29.189 29.460 0.190 0.000 1.120 880 W HN -0.189 nan 8.180 nan 0.000 0.536 881 D N 0.092 120.690 120.400 0.331 0.000 2.178 881 D HA -0.131 4.544 4.640 0.058 0.000 0.202 881 D C 2.144 178.383 176.300 -0.102 0.000 0.974 881 D CA 1.597 55.676 54.000 0.131 0.000 0.841 881 D CB -0.582 40.341 40.800 0.205 0.000 0.953 881 D HN 0.224 nan 8.370 nan 0.000 0.478 882 A N -0.099 122.663 122.820 -0.098 0.000 2.172 882 A HA -0.045 4.310 4.320 0.058 0.000 0.216 882 A C 2.092 179.512 177.584 -0.275 0.000 1.154 882 A CA 0.723 52.673 52.037 -0.144 0.000 0.701 882 A CB -0.203 18.741 19.000 -0.093 0.000 0.789 882 A HN 0.219 nan 8.150 nan 0.000 0.465 883 I N -3.753 116.519 120.570 -0.496 0.000 3.345 883 I HA 0.048 4.253 4.170 0.058 0.000 0.258 883 I C 1.467 176.901 176.117 -1.139 0.000 1.134 883 I CA 0.496 61.298 61.300 -0.830 0.000 1.457 883 I CB 0.119 37.392 38.000 -1.212 0.000 1.425 883 I HN 0.292 nan 8.210 nan 0.000 0.461 884 Y N 0.412 120.008 120.300 -1.174 0.000 2.444 884 Y HA 0.370 4.953 4.550 0.056 0.000 0.249 884 Y C 2.255 177.366 175.900 -1.315 0.000 1.134 884 Y CA 0.170 57.171 58.100 -1.831 0.000 1.261 884 Y CB -0.303 36.839 38.460 -2.197 0.000 1.143 884 Y HN 0.017 nan 8.280 nan 0.000 0.523 885 G N 0.011 108.438 108.800 -0.622 0.000 2.403 885 G HA2 -0.233 3.762 3.960 0.058 0.000 0.216 885 G HA3 -0.233 3.762 3.960 0.058 0.000 0.216 885 G C 0.117 174.955 174.900 -0.102 0.000 1.154 885 G CA 0.363 45.360 45.100 -0.171 0.000 0.784 885 G HN 0.294 nan 8.290 nan 0.000 0.538 886 D N 0.240 120.557 120.400 -0.139 0.000 2.772 886 D HA -0.111 4.564 4.640 0.058 0.000 0.227 886 D C 1.661 177.972 176.300 0.017 0.000 1.114 886 D CA 0.021 53.996 54.000 -0.040 0.000 0.832 886 D CB 0.124 40.913 40.800 -0.019 0.000 1.154 886 D HN 0.175 nan 8.370 nan 0.000 0.514 887 I N 3.678 124.265 120.570 0.029 0.000 2.229 887 I HA -0.410 3.795 4.170 0.058 0.000 0.250 887 I C 1.100 177.256 176.117 0.065 0.000 1.096 887 I CA 1.543 62.874 61.300 0.052 0.000 1.358 887 I CB -0.026 37.995 38.000 0.035 0.000 1.047 887 I HN 0.404 nan 8.210 nan 0.000 0.422 888 N N -0.342 118.385 118.700 0.046 0.000 2.515 888 N HA -0.134 4.640 4.740 0.058 0.000 0.185 888 N C 1.352 176.882 175.510 0.032 0.000 1.109 888 N CA 0.523 53.592 53.050 0.031 0.000 0.903 888 N CB -0.424 38.064 38.487 0.001 0.000 0.969 888 N HN 0.518 nan 8.380 nan 0.000 0.450 889 Y N 1.985 122.228 120.300 -0.095 0.000 2.315 889 Y HA -0.253 4.335 4.550 0.063 0.000 0.288 889 Y C 1.873 177.735 175.900 -0.063 0.000 1.154 889 Y CA 1.489 59.482 58.100 -0.178 0.000 1.229 889 Y CB -0.015 38.164 38.460 -0.469 0.000 0.980 889 Y HN 0.203 nan 8.280 nan 0.000 0.540 890 D N 0.204 120.718 120.400 0.190 0.000 2.123 890 D HA -0.284 4.391 4.640 0.058 0.000 0.196 890 D C 1.506 177.877 176.300 0.119 0.000 0.992 890 D CA 2.039 56.179 54.000 0.233 0.000 0.833 890 D CB -0.755 40.165 40.800 0.200 0.000 0.954 890 D HN 0.750 nan 8.370 nan 0.000 0.455 891 E N -0.006 120.221 120.200 0.045 0.000 2.318 891 E HA -0.071 4.314 4.350 0.058 0.000 0.193 891 E C 2.101 178.663 176.600 -0.063 0.000 0.998 891 E CA 0.075 56.474 56.400 -0.001 0.000 0.859 891 E CB -0.373 29.324 29.700 -0.006 0.000 0.812 891 E HN 0.255 nan 8.360 nan 0.000 0.492 892 Q N -0.212 119.517 119.800 -0.119 0.000 2.291 892 Q HA 0.012 4.387 4.340 0.058 0.000 0.205 892 Q C -0.253 175.575 176.000 -0.286 0.000 0.970 892 Q CA 0.654 56.312 55.803 -0.241 0.000 0.876 892 Q CB 0.058 28.576 28.738 -0.366 0.000 0.935 892 Q HN 0.246 nan 8.270 nan 0.000 0.455 893 F N 0.510 120.252 119.950 -0.347 0.000 2.291 893 F HA 0.472 5.034 4.527 0.058 0.000 0.368 893 F C -0.044 175.669 175.800 -0.145 0.000 1.085 893 F CA -0.532 57.315 58.000 -0.254 0.000 1.165 893 F CB 0.807 39.691 39.000 -0.193 0.000 1.429 893 F HN -0.121 nan 8.300 nan 0.000 0.503 894 A N 1.750 124.486 122.820 -0.139 0.000 2.522 894 A HA 0.658 5.013 4.320 0.058 0.000 0.291 894 A C -0.355 177.101 177.584 -0.214 0.000 1.039 894 A CA -0.118 51.721 52.037 -0.330 0.000 0.643 894 A CB -0.027 18.487 19.000 -0.811 0.000 1.310 894 A HN 0.622 nan 8.150 nan 0.000 0.436 895 A N 0.372 123.063 122.820 -0.215 0.000 1.831 895 A HA 0.434 4.789 4.320 0.058 0.000 0.213 895 A C 1.176 178.668 177.584 -0.152 0.000 1.223 895 A CA 2.344 54.296 52.037 -0.142 0.000 0.604 895 A CB -0.458 18.474 19.000 -0.114 0.000 0.878 895 A HN 2.024 nan 8.150 nan 0.000 0.450 896 M N -2.876 116.601 119.600 -0.205 0.000 4.981 896 M HA 0.433 4.948 4.480 0.058 0.000 0.584 896 M C -0.864 175.339 176.300 -0.160 0.000 2.270 896 M CA 0.010 55.191 55.300 -0.198 0.000 0.414 896 M CB 0.983 33.422 32.600 -0.268 0.000 1.445 896 M HN -0.074 nan 8.290 nan 0.000 0.634 897 S N 0.344 115.993 115.700 -0.085 0.000 2.617 897 S HA 0.510 5.015 4.470 0.058 0.000 0.237 897 S C 0.884 175.499 174.600 0.025 0.000 1.142 897 S CA -0.500 57.673 58.200 -0.044 0.000 1.167 897 S CB -0.271 62.909 63.200 -0.034 0.000 1.068 897 S HN 0.771 nan 8.310 nan 0.000 0.470 898 I N 0.909 121.526 120.570 0.078 0.000 4.624 898 I HA -0.502 3.703 4.170 0.058 0.000 0.049 898 I C 1.772 177.977 176.117 0.147 0.000 0.621 898 I CA 2.055 63.499 61.300 0.240 0.000 0.836 898 I CB -0.970 37.192 38.000 0.269 0.000 0.765 898 I HN 0.546 nan 8.210 nan 0.000 0.159 899 N N 1.216 119.946 118.700 0.050 0.000 2.409 899 N HA -0.150 4.625 4.740 0.058 0.000 0.179 899 N C 1.440 176.933 175.510 -0.027 0.000 1.032 899 N CA 1.691 54.735 53.050 -0.011 0.000 0.898 899 N CB -0.260 38.213 38.487 -0.024 0.000 0.971 899 N HN 0.673 nan 8.380 nan 0.000 0.441 900 E N 0.630 120.816 120.200 -0.023 0.000 2.170 900 E HA 0.035 4.420 4.350 0.058 0.000 0.191 900 E C 0.751 177.325 176.600 -0.043 0.000 0.981 900 E CA 0.004 56.376 56.400 -0.047 0.000 0.830 900 E CB 0.404 30.067 29.700 -0.062 0.000 0.775 900 E HN 0.286 nan 8.360 nan 0.000 0.470 901 R N -0.202 120.292 120.500 -0.009 0.000 2.896 901 R HA 0.179 4.554 4.340 0.058 0.000 0.258 901 R C 1.508 177.891 176.300 0.138 0.000 1.240 901 R CA 0.414 56.567 56.100 0.088 0.000 1.109 901 R CB 0.189 30.555 30.300 0.111 0.000 1.081 901 R HN 0.068 nan 8.270 nan 0.000 0.562 902 I N -1.175 119.578 120.570 0.305 0.000 4.445 902 I HA -0.501 3.704 4.170 0.058 0.000 0.066 902 I C 1.836 177.874 176.117 -0.131 0.000 0.599 902 I CA 2.022 63.318 61.300 -0.006 0.000 0.973 902 I CB -0.804 36.967 38.000 -0.381 0.000 0.875 902 I HN 0.616 nan 8.210 nan 0.000 0.171 903 E N 0.952 121.082 120.200 -0.116 0.000 2.204 903 E HA -0.170 4.215 4.350 0.058 0.000 0.194 903 E C 1.777 178.328 176.600 -0.082 0.000 0.989 903 E CA 1.826 58.167 56.400 -0.098 0.000 0.824 903 E CB -0.037 29.611 29.700 -0.086 0.000 0.756 903 E HN 0.462 nan 8.360 nan 0.000 0.477 904 K N -1.094 119.257 120.400 -0.081 0.000 2.228 904 K HA -0.026 4.329 4.320 0.058 0.000 0.202 904 K C 1.646 178.084 176.600 -0.270 0.000 1.051 904 K CA 1.048 57.208 56.287 -0.211 0.000 0.960 904 K CB -0.035 32.338 32.500 -0.212 0.000 0.743 904 K HN 0.215 nan 8.250 nan 0.000 0.458 905 C N 0.331 119.655 119.300 0.040 0.000 2.492 905 C HA 0.092 4.587 4.460 0.058 0.000 0.279 905 C C 2.455 177.526 174.990 0.135 0.000 1.335 905 C CA 0.042 59.206 59.018 0.244 0.000 1.734 905 C CB -0.312 27.683 27.740 0.424 0.000 2.027 905 C HN 0.492 nan 8.230 nan 0.000 0.496 906 M N 0.793 120.432 119.600 0.065 0.000 2.115 906 M HA -0.062 4.453 4.480 0.058 0.000 0.261 906 M C 1.983 178.297 176.300 0.024 0.000 1.079 906 M CA 1.366 56.699 55.300 0.055 0.000 1.143 906 M CB -1.756 30.871 32.600 0.045 0.000 1.332 906 M HN 0.490 nan 8.290 nan 0.000 0.421 907 N N -0.786 117.905 118.700 -0.015 0.000 2.135 907 N HA -0.101 4.674 4.740 0.058 0.000 0.186 907 N C 1.245 176.739 175.510 -0.028 0.000 1.027 907 N CA 1.720 54.757 53.050 -0.022 0.000 0.849 907 N CB 0.446 38.907 38.487 -0.043 0.000 1.002 907 N HN 0.303 nan 8.380 nan 0.000 0.425 908 T N -0.824 113.678 114.554 -0.086 0.000 3.044 908 T HA 0.050 4.435 4.350 0.058 0.000 0.237 908 T C 1.277 176.013 174.700 0.061 0.000 1.001 908 T CA 0.380 62.426 62.100 -0.090 0.000 1.160 908 T CB -0.318 68.398 68.868 -0.253 0.000 0.889 908 T HN 0.171 nan 8.240 nan 0.000 0.442 909 Y N 1.647 121.996 120.300 0.082 0.000 2.516 909 Y HA 0.234 4.816 4.550 0.054 0.000 0.291 909 Y C 1.626 177.550 175.900 0.040 0.000 1.131 909 Y CA -0.412 57.757 58.100 0.115 0.000 1.281 909 Y CB -0.247 38.326 38.460 0.188 0.000 1.013 909 Y HN 0.060 nan 8.280 nan 0.000 0.554 910 R N -1.209 119.367 120.500 0.126 0.000 3.943 910 R HA -0.177 4.198 4.340 0.058 0.000 0.459 910 R C 0.613 176.706 176.300 -0.345 0.000 0.939 910 R CA 1.134 57.231 56.100 -0.004 0.000 1.515 910 R CB -2.001 28.351 30.300 0.087 0.000 2.164 910 R HN 0.510 nan 8.270 nan 0.000 0.516 911 G N -1.090 107.487 108.800 -0.372 0.000 2.632 911 G HA2 0.554 4.549 3.960 0.058 0.000 0.292 911 G HA3 0.554 4.549 3.960 0.058 0.000 0.292 911 G C -1.717 173.072 174.900 -0.185 0.000 1.465 911 G CA 0.110 44.713 45.100 -0.829 0.000 0.824 911 G HN 0.214 nan 8.290 nan 0.000 0.509 912 V N -0.356 119.523 119.914 -0.059 0.000 3.048 912 V HA 0.856 5.011 4.120 0.058 0.000 0.303 912 V C -0.696 175.462 176.094 0.107 0.000 1.214 912 V CA -0.038 62.330 62.300 0.114 0.000 0.984 912 V CB 1.948 33.976 31.823 0.341 0.000 1.054 912 V HN 1.933 nan 8.190 nan 0.000 0.430 913 A N 5.124 127.950 122.820 0.011 0.000 2.337 913 A HA 0.940 5.295 4.320 0.058 0.000 0.329 913 A C -1.413 176.089 177.584 -0.137 0.000 1.146 913 A CA -0.361 51.664 52.037 -0.021 0.000 0.800 913 A CB 1.016 19.997 19.000 -0.031 0.000 1.220 913 A HN 0.712 nan 8.150 nan 0.000 0.472 914 F N 0.490 120.283 119.950 -0.263 0.000 2.520 914 F HA 0.385 4.944 4.527 0.052 0.000 0.322 914 F C 0.663 176.423 175.800 -0.068 0.000 1.103 914 F CA -0.252 57.633 58.000 -0.192 0.000 0.926 914 F CB 2.062 40.733 39.000 -0.548 0.000 1.154 914 F HN 0.706 nan 8.300 nan 0.000 0.453 915 Q N 2.831 122.739 119.800 0.180 0.000 2.315 915 Q HA -0.024 4.351 4.340 0.058 0.000 0.289 915 Q C 0.403 176.576 176.000 0.287 0.000 1.044 915 Q CA -0.252 55.654 55.803 0.172 0.000 0.920 915 Q CB 0.577 29.388 28.738 0.121 0.000 1.214 915 Q HN 0.707 nan 8.270 nan 0.000 0.392 916 N N 1.936 120.799 118.700 0.271 0.000 3.167 916 N HA -0.039 4.736 4.740 0.058 0.000 0.318 916 N C -1.216 174.465 175.510 0.284 0.000 1.268 916 N CA 0.014 53.279 53.050 0.358 0.000 1.197 916 N CB -0.083 38.629 38.487 0.374 0.000 1.464 916 N HN 0.367 nan 8.380 nan 0.000 0.555 917 S N -1.367 114.459 115.700 0.211 0.000 2.501 917 S HA 0.344 4.849 4.470 0.058 0.000 0.301 917 S C 1.226 175.842 174.600 0.026 0.000 1.096 917 S CA -0.250 58.027 58.200 0.129 0.000 1.063 917 S CB 1.678 64.960 63.200 0.136 0.000 1.042 917 S HN 0.301 nan 8.310 nan 0.000 0.494 918 S N 3.284 118.969 115.700 -0.025 0.000 2.393 918 S HA -0.315 4.190 4.470 0.058 0.000 0.234 918 S C 1.579 176.168 174.600 -0.018 0.000 1.064 918 S CA 1.670 59.819 58.200 -0.086 0.000 1.088 918 S CB -0.856 62.322 63.200 -0.038 0.000 0.939 918 S HN 0.821 nan 8.310 nan 0.000 0.448 919 K N 1.238 121.672 120.400 0.057 0.000 2.032 919 K HA -0.025 4.330 4.320 0.058 0.000 0.209 919 K C 2.626 179.347 176.600 0.201 0.000 1.048 919 K CA 1.642 57.997 56.287 0.115 0.000 0.927 919 K CB -0.370 32.201 32.500 0.118 0.000 0.712 919 K HN 0.443 nan 8.250 nan 0.000 0.441 920 S N 0.945 116.794 115.700 0.249 0.000 2.383 920 S HA -0.090 4.415 4.470 0.058 0.000 0.227 920 S C 1.950 176.773 174.600 0.371 0.000 1.026 920 S CA 1.036 59.494 58.200 0.431 0.000 0.981 920 S CB -0.230 63.308 63.200 0.563 0.000 0.818 920 S HN 0.187 nan 8.310 nan 0.000 0.472 921 I N 1.900 122.558 120.570 0.146 0.000 2.163 921 I HA -0.170 4.035 4.170 0.058 0.000 0.240 921 I C 1.960 178.066 176.117 -0.018 0.000 1.081 921 I CA 1.180 62.414 61.300 -0.110 0.000 1.353 921 I CB -0.404 37.300 38.000 -0.493 0.000 1.054 921 I HN 0.107 nan 8.210 nan 0.000 0.407 922 D N 0.453 120.848 120.400 -0.007 0.000 2.221 922 D HA -0.213 4.462 4.640 0.058 0.000 0.204 922 D C 1.862 178.195 176.300 0.054 0.000 0.982 922 D CA 1.223 55.223 54.000 0.001 0.000 0.857 922 D CB -0.288 40.522 40.800 0.017 0.000 0.934 922 D HN 0.312 nan 8.370 nan 0.000 0.475 923 F N 0.125 120.079 119.950 0.007 0.000 2.098 923 F HA -0.123 4.442 4.527 0.063 0.000 0.294 923 F C 2.088 177.854 175.800 -0.057 0.000 1.107 923 F CA 0.925 58.933 58.000 0.013 0.000 1.234 923 F CB -0.331 38.726 39.000 0.095 0.000 1.002 923 F HN -0.070 nan 8.300 nan 0.000 0.472 924 F N 0.733 120.528 119.950 -0.259 0.000 2.216 924 F HA -0.142 4.417 4.527 0.053 0.000 0.300 924 F C 1.668 177.223 175.800 -0.409 0.000 1.085 924 F CA 1.450 59.139 58.000 -0.518 0.000 1.326 924 F CB -0.388 38.251 39.000 -0.602 0.000 1.027 924 F HN -0.022 nan 8.300 nan 0.000 0.497 925 L N 0.328 121.274 121.223 -0.461 0.000 2.093 925 L HA -0.215 4.160 4.340 0.058 0.000 0.208 925 L C 2.038 178.661 176.870 -0.412 0.000 1.085 925 L CA 1.718 56.274 54.840 -0.472 0.000 0.755 925 L CB -0.869 41.045 42.059 -0.242 0.000 0.904 925 L HN 0.235 nan 8.230 nan 0.000 0.435 926 N N -0.208 118.280 118.700 -0.353 0.000 2.062 926 N HA -0.149 4.626 4.740 0.058 0.000 0.191 926 N C 0.907 176.244 175.510 -0.288 0.000 1.042 926 N CA 0.907 53.790 53.050 -0.279 0.000 0.845 926 N CB -0.010 38.336 38.487 -0.236 0.000 1.024 926 N HN 0.180 nan 8.380 nan 0.000 0.424 927 N N 1.070 119.549 118.700 -0.369 0.000 2.466 927 N HA 0.089 4.864 4.740 0.058 0.000 0.251 927 N C 0.673 176.132 175.510 -0.084 0.000 1.164 927 N CA -0.030 52.889 53.050 -0.218 0.000 0.888 927 N CB 0.186 38.535 38.487 -0.230 0.000 1.177 927 N HN 0.259 nan 8.380 nan 0.000 0.498 928 L N -0.316 120.748 121.223 -0.264 0.000 2.275 928 L HA -0.090 4.285 4.340 0.058 0.000 0.215 928 L C 1.704 178.530 176.870 -0.074 0.000 1.119 928 L CA 1.099 55.759 54.840 -0.300 0.000 0.790 928 L CB -0.084 41.687 42.059 -0.481 0.000 0.919 928 L HN 0.134 nan 8.230 nan 0.000 0.443 929 T N -1.660 112.852 114.554 -0.070 0.000 2.708 929 T HA -0.205 4.180 4.350 0.058 0.000 0.266 929 T C 1.852 176.549 174.700 -0.005 0.000 1.037 929 T CA 1.893 63.971 62.100 -0.037 0.000 1.146 929 T CB -0.657 68.181 68.868 -0.051 0.000 0.865 929 T HN 0.600 nan 8.240 nan 0.000 0.435 930 T N 0.309 114.853 114.554 -0.017 0.000 2.867 930 T HA -0.042 4.343 4.350 0.058 0.000 0.268 930 T C 1.739 176.416 174.700 -0.040 0.000 1.057 930 T CA 0.700 62.770 62.100 -0.050 0.000 1.136 930 T CB -0.809 67.993 68.868 -0.110 0.000 0.874 930 T HN 0.230 nan 8.240 nan 0.000 0.466 931 F N 2.342 122.266 119.950 -0.044 0.000 2.051 931 F HA 0.079 4.637 4.527 0.052 0.000 0.296 931 F C 2.307 178.127 175.800 0.033 0.000 1.122 931 F CA 1.673 59.684 58.000 0.017 0.000 1.201 931 F CB -0.451 38.561 39.000 0.020 0.000 0.978 931 F HN 0.257 nan 8.300 nan 0.000 0.472 932 I N -2.449 118.248 120.570 0.211 0.000 2.676 932 I HA -0.128 4.077 4.170 0.058 0.000 0.259 932 I C 1.470 177.635 176.117 0.081 0.000 1.194 932 I CA 1.375 62.756 61.300 0.134 0.000 1.473 932 I CB -0.598 37.453 38.000 0.086 0.000 1.096 932 I HN -0.075 nan 8.210 nan 0.000 0.443 933 D N 1.472 121.904 120.400 0.053 0.000 2.264 933 D HA -0.104 4.571 4.640 0.058 0.000 0.208 933 D C 0.387 176.701 176.300 0.023 0.000 0.966 933 D CA 1.178 55.193 54.000 0.024 0.000 0.864 933 D CB -0.205 40.596 40.800 0.003 0.000 0.933 933 D HN 0.545 nan 8.370 nan 0.000 0.499 934 N N -1.337 117.380 118.700 0.029 0.000 2.558 934 N HA 0.432 5.207 4.740 0.058 0.000 0.285 934 N C 0.403 175.949 175.510 0.059 0.000 1.112 934 N CA 0.313 53.381 53.050 0.031 0.000 0.857 934 N CB 1.263 39.753 38.487 0.006 0.000 1.376 934 N HN 0.007 nan 8.380 nan 0.000 0.526 935 G N 2.405 111.250 108.800 0.075 0.000 4.391 935 G HA2 -0.254 3.741 3.960 0.058 0.000 0.210 935 G HA3 -0.254 3.741 3.960 0.058 0.000 0.210 935 G C -0.177 174.803 174.900 0.134 0.000 1.547 935 G CA -0.155 45.003 45.100 0.097 0.000 1.103 935 G HN 0.750 nan 8.290 nan 0.000 0.637 936 L N 3.082 124.417 121.223 0.186 0.000 2.795 936 L HA 0.329 4.704 4.340 0.058 0.000 0.290 936 L C 1.513 178.491 176.870 0.181 0.000 1.206 936 L CA 2.572 57.551 54.840 0.231 0.000 0.919 936 L CB 0.488 42.741 42.059 0.323 0.000 1.227 936 L HN 0.692 nan 8.230 nan 0.000 0.483 937 T N 1.729 116.393 114.554 0.182 0.000 2.992 937 T HA 0.252 4.637 4.350 0.058 0.000 0.255 937 T C 0.158 174.950 174.700 0.153 0.000 0.938 937 T CA -0.044 62.147 62.100 0.152 0.000 0.895 937 T CB 0.331 69.282 68.868 0.138 0.000 1.221 937 T HN 0.568 nan 8.240 nan 0.000 0.512 938 E N 0.513 120.820 120.200 0.179 0.000 2.290 938 E HA 0.597 4.982 4.350 0.058 0.000 0.274 938 E C -1.836 174.843 176.600 0.131 0.000 0.889 938 E CA -0.676 55.809 56.400 0.142 0.000 0.760 938 E CB 1.733 31.504 29.700 0.119 0.000 1.206 938 E HN 0.212 nan 8.360 nan 0.000 0.419 939 I N 2.820 123.431 120.570 0.069 0.000 2.389 939 I HA 0.617 4.822 4.170 0.058 0.000 0.288 939 I C -0.507 175.429 176.117 -0.302 0.000 0.999 939 I CA -0.652 60.640 61.300 -0.012 0.000 1.129 939 I CB 1.886 39.983 38.000 0.160 0.000 1.288 939 I HN 0.464 nan 8.210 nan 0.000 0.444 940 A N 7.904 130.594 122.820 -0.217 0.000 2.330 940 A HA 0.864 5.219 4.320 0.058 0.000 0.313 940 A C -0.543 176.944 177.584 -0.161 0.000 1.124 940 A CA -0.542 51.302 52.037 -0.322 0.000 0.774 940 A CB 0.917 19.785 19.000 -0.220 0.000 1.198 940 A HN 0.784 nan 8.150 nan 0.000 0.465 941 I N 0.083 120.516 120.570 -0.228 0.000 2.750 941 I HA 0.721 4.926 4.170 0.058 0.000 0.308 941 I C 0.647 176.749 176.117 -0.024 0.000 1.016 941 I CA -0.417 60.893 61.300 0.016 0.000 1.098 941 I CB 2.522 40.621 38.000 0.166 0.000 1.279 941 I HN 0.453 nan 8.210 nan 0.000 0.454 942 S N -0.325 115.389 115.700 0.023 0.000 2.540 942 S HA 0.188 4.692 4.470 0.058 0.000 0.222 942 S C 0.613 175.194 174.600 -0.032 0.000 1.008 942 S CA -0.222 57.964 58.200 -0.024 0.000 0.939 942 S CB -0.193 62.986 63.200 -0.035 0.000 0.865 942 S HN 0.757 nan 8.310 nan 0.000 0.499 943 D N 1.430 121.795 120.400 -0.058 0.000 2.340 943 D HA 0.256 4.931 4.640 0.058 0.000 0.220 943 D C -0.097 176.061 176.300 -0.238 0.000 1.039 943 D CA 0.286 54.174 54.000 -0.187 0.000 0.866 943 D CB 0.380 40.975 40.800 -0.342 0.000 0.913 943 D HN 0.410 nan 8.370 nan 0.000 0.523 944 L N 2.292 123.439 121.223 -0.126 0.000 2.333 944 L HA 0.318 4.693 4.340 0.058 0.000 0.280 944 L C -2.404 174.442 176.870 -0.039 0.000 1.004 944 L CA -1.969 52.817 54.840 -0.090 0.000 0.820 944 L CB 2.442 44.498 42.059 -0.006 0.000 1.247 944 L HN -0.307 nan 8.230 nan 0.000 0.416 945 P HA 0.046 nan 4.420 nan 0.000 0.282 945 P C -0.097 177.211 177.300 0.013 0.000 1.274 945 P CA -0.260 62.824 63.100 -0.027 0.000 0.770 945 P CB 0.474 32.120 31.700 -0.089 0.000 0.867 946 Y N 3.729 124.030 120.300 0.002 0.000 2.293 946 Y HA -0.169 4.416 4.550 0.058 0.000 0.291 946 Y C 1.594 177.520 175.900 0.044 0.000 1.137 946 Y CA 1.576 59.685 58.100 0.015 0.000 1.202 946 Y CB -1.141 37.318 38.460 -0.002 0.000 0.990 946 Y HN 0.252 nan 8.280 nan 0.000 0.537 947 D N 0.459 120.438 120.400 -0.701 0.000 2.312 947 D HA -0.132 4.543 4.640 0.058 0.000 0.211 947 D C 1.571 177.763 176.300 -0.181 0.000 0.964 947 D CA 1.021 54.709 54.000 -0.521 0.000 0.877 947 D CB -0.108 40.395 40.800 -0.495 0.000 0.924 947 D HN 0.500 nan 8.370 nan 0.000 0.515 948 I N 0.526 121.027 120.570 -0.115 0.000 3.445 948 I HA -0.039 4.166 4.170 0.058 0.000 0.288 948 I C 2.178 178.302 176.117 0.010 0.000 1.198 948 I CA 0.516 61.796 61.300 -0.033 0.000 1.417 948 I CB -0.031 37.953 38.000 -0.025 0.000 1.205 948 I HN 0.020 nan 8.210 nan 0.000 0.448 949 V N -0.953 118.973 119.914 0.020 0.000 3.432 949 V HA 0.115 4.269 4.120 0.058 0.000 0.298 949 V C 2.030 178.171 176.094 0.079 0.000 1.464 949 V CA 0.348 62.679 62.300 0.052 0.000 1.046 949 V CB -0.113 31.733 31.823 0.038 0.000 0.887 949 V HN 0.425 nan 8.190 nan 0.000 0.441 950 Q N 0.999 120.857 119.800 0.096 0.000 2.133 950 Q HA -0.364 4.011 4.340 0.058 0.000 0.208 950 Q C 2.118 178.183 176.000 0.108 0.000 0.991 950 Q CA 2.650 58.529 55.803 0.126 0.000 0.867 950 Q CB -0.546 28.300 28.738 0.179 0.000 0.911 950 Q HN 0.722 nan 8.270 nan 0.000 0.417 951 Q N 0.633 120.493 119.800 0.099 0.000 2.119 951 Q HA -0.150 4.225 4.340 0.058 0.000 0.201 951 Q C 1.831 177.896 176.000 0.109 0.000 0.972 951 Q CA 1.625 57.486 55.803 0.097 0.000 0.847 951 Q CB 0.179 28.971 28.738 0.089 0.000 0.903 951 Q HN 0.559 nan 8.270 nan 0.000 0.433 952 E N -0.030 120.242 120.200 0.120 0.000 2.204 952 E HA -0.144 4.241 4.350 0.058 0.000 0.194 952 E C 1.917 178.575 176.600 0.097 0.000 0.989 952 E CA 0.757 57.255 56.400 0.164 0.000 0.824 952 E CB 0.037 29.860 29.700 0.205 0.000 0.756 952 E HN 0.478 nan 8.360 nan 0.000 0.477 953 I N 1.266 121.870 120.570 0.057 0.000 2.252 953 I HA -0.248 3.957 4.170 0.058 0.000 0.245 953 I C 2.782 178.943 176.117 0.074 0.000 1.102 953 I CA 1.185 62.493 61.300 0.013 0.000 1.385 953 I CB -0.349 37.705 38.000 0.090 0.000 1.064 953 I HN 0.113 nan 8.210 nan 0.000 0.414 954 S N 0.364 116.119 115.700 0.092 0.000 2.382 954 S HA -0.282 4.223 4.470 0.058 0.000 0.228 954 S C 2.006 176.653 174.600 0.078 0.000 1.027 954 S CA 1.321 59.574 58.200 0.087 0.000 0.991 954 S CB -0.379 62.870 63.200 0.082 0.000 0.823 954 S HN 0.356 nan 8.310 nan 0.000 0.469 955 Q N 0.245 120.104 119.800 0.099 0.000 2.170 955 Q HA 0.053 4.428 4.340 0.058 0.000 0.203 955 Q C 1.700 177.758 176.000 0.097 0.000 0.976 955 Q CA 1.596 57.478 55.803 0.132 0.000 0.858 955 Q CB -0.615 28.253 28.738 0.217 0.000 0.907 955 Q HN 0.727 nan 8.270 nan 0.000 0.433 956 F N -0.742 119.064 119.950 -0.240 0.000 2.146 956 F HA -0.162 4.400 4.527 0.058 0.000 0.298 956 F C 1.245 176.896 175.800 -0.248 0.000 1.096 956 F CA 0.745 58.428 58.000 -0.530 0.000 1.275 956 F CB -0.047 38.381 39.000 -0.954 0.000 1.008 956 F HN 0.104 nan 8.300 nan 0.000 0.480 957 L N 0.465 121.687 121.223 -0.002 0.000 2.046 957 L HA -0.225 4.150 4.340 0.058 0.000 0.208 957 L C 2.380 179.203 176.870 -0.079 0.000 1.077 957 L CA 1.665 56.490 54.840 -0.025 0.000 0.747 957 L CB -1.583 40.513 42.059 0.062 0.000 0.896 957 L HN 0.189 nan 8.230 nan 0.000 0.432 958 Q N -0.258 119.520 119.800 -0.037 0.000 2.291 958 Q HA 0.099 4.474 4.340 0.058 0.000 0.205 958 Q C 1.074 177.044 176.000 -0.050 0.000 0.970 958 Q CA 0.894 56.684 55.803 -0.021 0.000 0.876 958 Q CB -0.180 28.571 28.738 0.022 0.000 0.935 958 Q HN 0.549 nan 8.270 nan 0.000 0.455 959 G N 0.109 108.845 108.800 -0.107 0.000 2.341 959 G HA2 -0.225 3.770 3.960 0.058 0.000 0.278 959 G HA3 -0.225 3.770 3.960 0.058 0.000 0.278 959 G C 0.229 175.149 174.900 0.034 0.000 1.111 959 G CA 0.416 45.449 45.100 -0.111 0.000 0.982 959 G HN 0.428 nan 8.290 nan 0.000 0.502 960 S N -0.100 115.686 115.700 0.144 0.000 2.663 960 S HA 0.183 4.688 4.470 0.058 0.000 0.243 960 S C 1.346 176.062 174.600 0.194 0.000 1.009 960 S CA 0.744 59.034 58.200 0.150 0.000 0.988 960 S CB -0.437 62.836 63.200 0.121 0.000 0.896 960 S HN 1.973 nan 8.310 nan 0.000 0.502 961 N N 0.575 119.474 118.700 0.331 0.000 2.620 961 N HA -0.306 4.468 4.740 0.058 0.000 0.247 961 N C -0.198 175.148 175.510 -0.274 0.000 1.183 961 N CA 1.399 54.426 53.050 -0.038 0.000 0.768 961 N CB -1.334 37.086 38.487 -0.112 0.000 1.158 961 N HN 0.540 nan 8.380 nan 0.000 0.569 962 E N 0.530 120.780 120.200 0.084 0.000 2.368 962 E HA 0.110 4.495 4.350 0.058 0.000 0.283 962 E C -0.318 176.404 176.600 0.204 0.000 1.476 962 E CA -0.386 56.059 56.400 0.074 0.000 1.786 962 E CB -0.380 29.388 29.700 0.113 0.000 1.518 962 E HN 0.519 nan 8.360 nan 0.000 0.456 963 W N 1.667 123.015 121.300 0.081 0.000 1.259 963 W HA 0.341 5.036 4.660 0.059 0.000 0.299 963 W C 0.110 176.644 176.519 0.025 0.000 0.843 963 W CA -0.708 56.675 57.345 0.064 0.000 2.171 963 W CB -0.370 29.155 29.460 0.108 0.000 1.945 963 W HN -0.048 nan 8.180 nan 0.000 0.493 964 K N 0.635 121.000 120.400 -0.058 0.000 2.152 964 K HA -0.106 4.249 4.320 0.058 0.000 0.206 964 K C 1.625 178.071 176.600 -0.256 0.000 1.048 964 K CA 1.934 58.133 56.287 -0.147 0.000 0.933 964 K CB -0.908 31.563 32.500 -0.049 0.000 0.721 964 K HN 0.201 nan 8.250 nan 0.000 0.447 965 T N 2.382 116.875 114.554 -0.102 0.000 2.698 965 T HA -0.106 4.279 4.350 0.058 0.000 0.260 965 T C 1.952 176.612 174.700 -0.067 0.000 1.044 965 T CA 0.854 62.882 62.100 -0.119 0.000 1.149 965 T CB -0.461 68.380 68.868 -0.044 0.000 0.864 965 T HN 0.078 nan 8.240 nan 0.000 0.419 966 L N 1.936 123.208 121.223 0.081 0.000 2.043 966 L HA -0.165 4.210 4.340 0.058 0.000 0.212 966 L C 2.052 179.011 176.870 0.150 0.000 1.075 966 L CA 1.959 56.869 54.840 0.118 0.000 0.752 966 L CB -0.814 41.352 42.059 0.178 0.000 0.891 966 L HN 0.105 nan 8.230 nan 0.000 0.432 967 D N -0.571 119.999 120.400 0.283 0.000 2.097 967 D HA -0.184 4.490 4.640 0.058 0.000 0.195 967 D C 2.151 178.425 176.300 -0.043 0.000 0.989 967 D CA 1.507 55.652 54.000 0.242 0.000 0.827 967 D CB -0.091 40.766 40.800 0.096 0.000 0.966 967 D HN 0.480 nan 8.370 nan 0.000 0.456 968 A N 0.328 122.899 122.820 -0.416 0.000 1.883 968 A HA -0.201 4.154 4.320 0.058 0.000 0.217 968 A C 2.445 179.974 177.584 -0.091 0.000 1.186 968 A CA 1.985 53.775 52.037 -0.412 0.000 0.624 968 A CB -0.660 18.022 19.000 -0.530 0.000 0.822 968 A HN 0.320 nan 8.150 nan 0.000 0.444 969 M N -0.902 118.655 119.600 -0.072 0.000 2.229 969 M HA -0.038 4.477 4.480 0.058 0.000 0.264 969 M C 2.075 178.365 176.300 -0.016 0.000 1.063 969 M CA 1.070 56.352 55.300 -0.030 0.000 1.114 969 M CB -0.405 32.165 32.600 -0.051 0.000 1.387 969 M HN 0.372 nan 8.290 nan 0.000 0.420 970 L N -1.036 120.193 121.223 0.011 0.000 2.056 970 L HA -0.196 4.179 4.340 0.058 0.000 0.207 970 L C 2.424 179.335 176.870 0.068 0.000 1.078 970 L CA 1.243 56.089 54.840 0.010 0.000 0.749 970 L CB -0.645 41.428 42.059 0.024 0.000 0.901 970 L HN 0.192 nan 8.230 nan 0.000 0.433 971 F N 1.376 121.322 119.950 -0.007 0.000 2.025 971 F HA -0.322 4.242 4.527 0.060 0.000 0.297 971 F C 2.244 178.019 175.800 -0.041 0.000 1.132 971 F CA 2.339 60.342 58.000 0.005 0.000 1.191 971 F CB -0.364 38.659 39.000 0.038 0.000 0.963 971 F HN 0.108 nan 8.300 nan 0.000 0.481 972 N N 0.392 119.254 118.700 0.270 0.000 2.104 972 N HA -0.228 4.547 4.740 0.058 0.000 0.190 972 N C 1.979 177.456 175.510 -0.055 0.000 1.024 972 N CA 1.352 54.458 53.050 0.094 0.000 0.853 972 N CB -0.323 38.195 38.487 0.051 0.000 1.008 972 N HN 0.331 nan 8.380 nan 0.000 0.424 973 L N 0.815 121.990 121.223 -0.081 0.000 2.042 973 L HA -0.174 4.201 4.340 0.058 0.000 0.210 973 L C 0.904 177.741 176.870 -0.055 0.000 1.076 973 L CA 1.182 55.915 54.840 -0.178 0.000 0.749 973 L CB -0.134 41.658 42.059 -0.446 0.000 0.893 973 L HN 0.230 nan 8.230 nan 0.000 0.432 974 D N -0.449 119.927 120.400 -0.040 0.000 2.325 974 D HA -0.007 4.668 4.640 0.058 0.000 0.225 974 D C 0.791 176.984 176.300 -0.178 0.000 1.096 974 D CA 0.074 54.059 54.000 -0.026 0.000 0.844 974 D CB 0.471 41.251 40.800 -0.035 0.000 0.925 974 D HN 0.029 nan 8.370 nan 0.000 0.513 975 K N -0.436 119.823 120.400 -0.234 0.000 3.281 975 K HA -0.193 4.162 4.320 0.058 0.000 0.308 975 K C 0.484 176.819 176.600 -0.442 0.000 1.218 975 K CA 1.044 57.145 56.287 -0.310 0.000 0.923 975 K CB -1.173 31.186 32.500 -0.235 0.000 1.222 975 K HN 0.401 nan 8.250 nan 0.000 0.440 976 G N 0.886 109.253 108.800 -0.720 0.000 3.084 976 G HA2 0.262 4.257 3.960 0.058 0.000 0.543 976 G HA3 0.262 4.257 3.960 0.058 0.000 0.543 976 G C -1.631 172.964 174.900 -0.508 0.000 1.239 976 G CA -0.501 44.036 45.100 -0.938 0.000 1.190 976 G HN 0.193 nan 8.290 nan 0.000 0.549 977 D N 1.778 121.894 120.400 -0.474 0.000 2.575 977 D HA 0.615 5.290 4.640 0.058 0.000 0.236 977 D C 0.577 176.846 176.300 -0.052 0.000 1.075 977 D CA -1.261 52.633 54.000 -0.176 0.000 0.860 977 D CB 1.403 42.138 40.800 -0.108 0.000 1.475 977 D HN 0.691 nan 8.370 nan 0.000 0.474 978 I N 2.166 122.726 120.570 -0.016 0.000 3.099 978 I HA -0.309 3.896 4.170 0.058 0.000 0.255 978 I C 0.978 177.060 176.117 -0.060 0.000 0.976 978 I CA 0.761 62.044 61.300 -0.029 0.000 2.390 978 I CB 0.020 38.009 38.000 -0.019 0.000 0.873 978 I HN 0.506 nan 8.210 nan 0.000 0.376 979 N N 6.023 124.692 118.700 -0.052 0.000 2.418 979 N HA 0.284 5.059 4.740 0.058 0.000 0.199 979 N C 0.844 176.341 175.510 -0.021 0.000 1.044 979 N CA 0.776 53.806 53.050 -0.034 0.000 0.943 979 N CB -0.784 37.679 38.487 -0.041 0.000 1.154 979 N HN 0.982 nan 8.380 nan 0.000 0.467 980 G N -0.605 108.173 108.800 -0.037 0.000 2.692 980 G HA2 0.195 4.189 3.960 0.058 0.000 0.686 980 G HA3 0.195 4.189 3.960 0.058 0.000 0.686 980 G C 0.385 175.247 174.900 -0.063 0.000 1.243 980 G CA 0.176 45.235 45.100 -0.069 0.000 0.782 980 G HN 0.680 nan 8.290 nan 0.000 0.625 981 A N 0.505 123.270 122.820 -0.092 0.000 1.943 981 A HA 0.493 4.848 4.320 0.058 0.000 0.213 981 A C 2.047 179.458 177.584 -0.288 0.000 1.181 981 A CA 1.961 53.872 52.037 -0.211 0.000 0.653 981 A CB -0.216 18.605 19.000 -0.300 0.000 0.833 981 A HN 0.920 nan 8.150 nan 0.000 0.451 982 F N 0.110 119.969 119.950 -0.151 0.000 2.134 982 F HA -0.104 4.460 4.527 0.062 0.000 0.299 982 F C 2.459 178.129 175.800 -0.217 0.000 1.097 982 F CA 1.746 59.640 58.000 -0.177 0.000 1.264 982 F CB -0.165 38.755 39.000 -0.133 0.000 1.001 982 F HN 0.152 nan 8.300 nan 0.000 0.479 983 R N 0.830 121.326 120.500 -0.007 0.000 2.073 983 R HA -0.191 4.183 4.340 0.058 0.000 0.234 983 R C 2.288 178.504 176.300 -0.140 0.000 1.134 983 R CA 1.670 57.708 56.100 -0.104 0.000 0.952 983 R CB -0.257 30.034 30.300 -0.015 0.000 0.850 983 R HN 0.176 nan 8.270 nan 0.000 0.433 984 K N 0.437 120.773 120.400 -0.106 0.000 2.097 984 K HA -0.122 4.233 4.320 0.058 0.000 0.206 984 K C 2.172 178.691 176.600 -0.135 0.000 1.049 984 K CA 1.107 57.333 56.287 -0.101 0.000 0.933 984 K CB -0.104 32.338 32.500 -0.096 0.000 0.717 984 K HN 0.224 nan 8.250 nan 0.000 0.442 985 L N 1.113 122.226 121.223 -0.182 0.000 1.994 985 L HA -0.213 4.162 4.340 0.058 0.000 0.208 985 L C 2.360 179.111 176.870 -0.199 0.000 1.071 985 L CA 1.129 55.871 54.840 -0.162 0.000 0.745 985 L CB -0.267 41.641 42.059 -0.253 0.000 0.892 985 L HN 0.345 nan 8.230 nan 0.000 0.431 986 L N -0.464 120.494 121.223 -0.441 0.000 2.042 986 L HA -0.302 4.073 4.340 0.058 0.000 0.210 986 L C 2.559 179.170 176.870 -0.431 0.000 1.076 986 L CA 1.770 56.072 54.840 -0.895 0.000 0.749 986 L CB -0.271 41.089 42.059 -1.166 0.000 0.893 986 L HN 0.439 nan 8.230 nan 0.000 0.432 987 Q N 0.234 119.916 119.800 -0.198 0.000 2.050 987 Q HA -0.207 4.168 4.340 0.058 0.000 0.202 987 Q C 2.274 178.291 176.000 0.029 0.000 0.980 987 Q CA 2.557 58.405 55.803 0.074 0.000 0.840 987 Q CB -0.239 28.542 28.738 0.072 0.000 0.898 987 Q HN 0.666 nan 8.270 nan 0.000 0.424 988 S N -0.844 114.838 115.700 -0.029 0.000 2.447 988 S HA 0.021 4.526 4.470 0.058 0.000 0.233 988 S C 1.967 176.579 174.600 0.019 0.000 1.006 988 S CA 0.675 58.863 58.200 -0.020 0.000 0.957 988 S CB -0.361 62.805 63.200 -0.057 0.000 0.773 988 S HN 0.455 nan 8.310 nan 0.000 0.507 989 A N 2.298 125.140 122.820 0.037 0.000 1.898 989 A HA 0.007 4.362 4.320 0.058 0.000 0.216 989 A C 2.258 179.894 177.584 0.086 0.000 1.181 989 A CA 1.288 53.389 52.037 0.106 0.000 0.620 989 A CB -0.541 18.561 19.000 0.170 0.000 0.819 989 A HN 0.401 nan 8.150 nan 0.000 0.442 990 K N -0.006 120.440 120.400 0.077 0.000 1.984 990 K HA -0.176 4.179 4.320 0.058 0.000 0.209 990 K C 1.403 178.011 176.600 0.015 0.000 1.046 990 K CA 2.007 58.325 56.287 0.052 0.000 0.934 990 K CB -0.453 32.069 32.500 0.037 0.000 0.717 990 K HN 0.401 nan 8.250 nan 0.000 0.438 991 D N 0.474 120.879 120.400 0.008 0.000 2.219 991 D HA -0.089 4.586 4.640 0.058 0.000 0.205 991 D C 0.887 177.188 176.300 0.000 0.000 0.970 991 D CA 0.876 54.872 54.000 -0.006 0.000 0.851 991 D CB -0.024 40.769 40.800 -0.012 0.000 0.943 991 D HN 0.221 nan 8.370 nan 0.000 0.488 992 N N 0.126 118.833 118.700 0.012 0.000 2.238 992 N HA 0.047 4.822 4.740 0.058 0.000 0.222 992 N C -0.244 175.289 175.510 0.038 0.000 1.133 992 N CA -0.020 53.039 53.050 0.016 0.000 0.854 992 N CB 0.455 38.945 38.487 0.005 0.000 1.041 992 N HN 0.104 nan 8.380 nan 0.000 0.510 993 N N 0.310 119.035 118.700 0.042 0.000 2.741 993 N HA -0.144 4.631 4.740 0.058 0.000 0.250 993 N C -1.087 174.469 175.510 0.076 0.000 1.115 993 N CA 0.341 53.422 53.050 0.051 0.000 0.724 993 N CB -0.533 37.977 38.487 0.039 0.000 1.090 993 N HN 0.156 nan 8.380 nan 0.000 0.558 994 I N 1.016 121.645 120.570 0.100 0.000 2.353 994 I HA 0.150 4.355 4.170 0.058 0.000 0.293 994 I C 0.993 177.204 176.117 0.157 0.000 0.992 994 I CA -0.283 61.096 61.300 0.132 0.000 1.268 994 I CB 1.304 39.401 38.000 0.162 0.000 1.387 994 I HN 0.104 nan 8.210 nan 0.000 0.478 995 K N 5.361 125.845 120.400 0.140 0.000 2.416 995 K HA 0.123 4.478 4.320 0.058 0.000 0.283 995 K C -1.149 175.557 176.600 0.177 0.000 1.037 995 K CA 0.084 56.455 56.287 0.139 0.000 0.995 995 K CB 0.410 32.964 32.500 0.091 0.000 0.938 995 K HN 0.400 nan 8.250 nan 0.000 0.475 996 F N 4.330 124.301 119.950 0.036 0.000 2.458 996 F HA 0.416 4.977 4.527 0.057 0.000 0.336 996 F C -0.404 175.398 175.800 0.003 0.000 1.114 996 F CA -0.622 57.388 58.000 0.017 0.000 0.987 996 F CB 1.193 40.190 39.000 -0.005 0.000 1.130 996 F HN 0.433 nan 8.300 nan 0.000 0.458 997 R N 4.303 124.554 120.500 -0.415 0.000 2.604 997 R HA 0.742 5.117 4.340 0.058 0.000 0.281 997 R C -1.475 174.616 176.300 -0.348 0.000 1.020 997 R CA -0.871 55.090 56.100 -0.232 0.000 0.899 997 R CB 1.737 31.937 30.300 -0.166 0.000 1.205 997 R HN 0.795 nan 8.270 nan 0.000 0.450 998 A N 4.161 126.911 122.820 -0.116 0.000 2.354 998 A HA 0.346 4.701 4.320 0.058 0.000 0.269 998 A C 0.863 178.415 177.584 -0.053 0.000 1.109 998 A CA -0.475 51.529 52.037 -0.054 0.000 0.800 998 A CB 0.064 19.113 19.000 0.082 0.000 1.045 998 A HN 0.860 nan 8.150 nan 0.000 0.489 999 I N 0.097 120.626 120.570 -0.069 0.000 4.240 999 I HA 0.396 4.601 4.170 0.058 0.000 0.331 999 I C 0.807 176.920 176.117 -0.006 0.000 1.381 999 I CA -0.172 61.064 61.300 -0.108 0.000 1.136 999 I CB 0.133 38.020 38.000 -0.187 0.000 1.137 999 I HN 0.522 nan 8.210 nan 0.000 0.411 1000 G N 0.932 109.763 108.800 0.052 0.000 2.539 1000 G HA2 0.292 4.287 3.960 0.058 0.000 0.258 1000 G HA3 0.292 4.287 3.960 0.058 0.000 0.258 1000 G C -1.444 173.577 174.900 0.201 0.000 1.202 1000 G CA -0.065 45.061 45.100 0.042 0.000 0.851 1000 G HN 0.492 nan 8.290 nan 0.000 0.556 1001 H N -0.870 118.207 119.070 0.011 0.000 2.547 1001 H HA 0.393 4.984 4.556 0.058 0.000 0.342 1001 H C 1.374 176.776 175.328 0.123 0.000 1.048 1001 H CA -0.031 56.030 56.048 0.022 0.000 1.204 1001 H CB 1.914 31.682 29.762 0.009 0.000 1.493 1001 H HN 0.380 nan 8.280 nan 0.000 0.511 1002 S N 1.781 117.297 115.700 -0.307 0.000 2.428 1002 S HA -0.116 4.389 4.470 0.058 0.000 0.230 1002 S C 0.657 175.270 174.600 0.022 0.000 1.014 1002 S CA 0.604 58.752 58.200 -0.087 0.000 0.957 1002 S CB -0.174 62.971 63.200 -0.091 0.000 0.784 1002 S HN 0.718 nan 8.310 nan 0.000 0.499 1003 D N 2.322 122.641 120.400 -0.135 0.000 2.401 1003 D HA 0.158 4.833 4.640 0.058 0.000 0.254 1003 D C 0.435 177.006 176.300 0.452 0.000 1.192 1003 D CA 0.621 54.743 54.000 0.203 0.000 0.885 1003 D CB -0.528 40.460 40.800 0.313 0.000 1.147 1003 D HN 0.410 nan 8.370 nan 0.000 0.478 1004 N N 1.914 120.811 118.700 0.329 0.000 2.829 1004 N HA -0.271 4.504 4.740 0.058 0.000 0.250 1004 N C 0.256 175.886 175.510 0.201 0.000 1.090 1004 N CA 0.637 53.840 53.050 0.256 0.000 0.781 1004 N CB -0.808 37.873 38.487 0.322 0.000 1.124 1004 N HN 0.400 nan 8.380 nan 0.000 0.559 1005 S N -1.701 114.127 115.700 0.213 0.000 2.558 1005 S HA 0.167 4.672 4.470 0.058 0.000 0.217 1005 S C 0.635 175.337 174.600 0.171 0.000 0.975 1005 S CA -0.060 58.210 58.200 0.118 0.000 0.912 1005 S CB 0.574 63.948 63.200 0.291 0.000 0.776 1005 S HN 0.156 nan 8.310 nan 0.000 0.526 1006 V N 5.227 125.115 119.914 -0.044 0.000 2.488 1006 V HA 0.316 4.471 4.120 0.058 0.000 0.277 1006 V C -1.817 174.047 176.094 -0.384 0.000 1.046 1006 V CA -1.971 60.129 62.300 -0.334 0.000 0.986 1006 V CB 0.768 32.224 31.823 -0.611 0.000 0.989 1006 V HN 0.345 nan 8.190 nan 0.000 0.475 1007 P HA 0.228 nan 4.420 nan 0.000 0.271 1007 P C -2.582 174.576 177.300 -0.238 0.000 1.233 1007 P CA -1.044 61.964 63.100 -0.153 0.000 0.789 1007 P CB -0.211 31.553 31.700 0.106 0.000 0.951 1008 P HA 0.310 nan 4.420 nan 0.000 0.279 1008 P C -0.853 176.322 177.300 -0.208 0.000 1.252 1008 P CA -0.364 62.696 63.100 -0.067 0.000 0.811 1008 P CB 0.528 32.214 31.700 -0.023 0.000 1.035 1009 F N 1.347 121.295 119.950 -0.004 0.000 2.883 1009 F HA 0.159 4.722 4.527 0.060 0.000 0.312 1009 F C 1.943 177.756 175.800 0.021 0.000 1.246 1009 F CA -0.496 57.509 58.000 0.008 0.000 1.238 1009 F CB -0.347 38.656 39.000 0.004 0.000 1.195 1009 F HN 0.281 nan 8.300 nan 0.000 0.526 1010 N N -0.079 118.676 118.700 0.092 0.000 2.459 1010 N HA -0.133 4.642 4.740 0.058 0.000 0.181 1010 N C 0.060 175.618 175.510 0.079 0.000 1.046 1010 N CA 0.476 53.570 53.050 0.074 0.000 0.904 1010 N CB -0.019 38.488 38.487 0.034 0.000 0.964 1010 N HN 0.399 nan 8.380 nan 0.000 0.444 1011 N N 0.566 119.322 118.700 0.092 0.000 2.342 1011 N HA 0.307 5.082 4.740 0.058 0.000 0.293 1011 N C -2.161 173.434 175.510 0.142 0.000 1.026 1011 N CA -1.982 51.138 53.050 0.116 0.000 0.857 1011 N CB 2.377 40.938 38.487 0.122 0.000 1.256 1011 N HN -0.263 nan 8.380 nan 0.000 0.484 1012 P HA -0.042 nan 4.420 nan 0.000 0.223 1012 P C 0.197 177.454 177.300 -0.071 0.000 1.151 1012 P CA 1.112 64.183 63.100 -0.049 0.000 0.787 1012 P CB 0.075 31.645 31.700 -0.216 0.000 0.788 1013 Y N 0.130 120.518 120.300 0.147 0.000 2.286 1013 Y HA -0.007 4.578 4.550 0.059 0.000 0.293 1013 Y C 2.546 178.612 175.900 0.276 0.000 1.124 1013 Y CA 1.043 59.263 58.100 0.199 0.000 1.178 1013 Y CB -0.675 37.935 38.460 0.249 0.000 1.010 1013 Y HN -0.147 nan 8.280 nan 0.000 0.536 1014 K N 0.092 120.726 120.400 0.391 0.000 2.103 1014 K HA -0.178 4.176 4.320 0.058 0.000 0.207 1014 K C 2.107 178.970 176.600 0.438 0.000 1.048 1014 K CA 1.688 58.169 56.287 0.323 0.000 0.930 1014 K CB -0.163 32.404 32.500 0.111 0.000 0.716 1014 K HN 0.204 nan 8.250 nan 0.000 0.444 1015 S N 1.188 117.130 115.700 0.404 0.000 2.355 1015 S HA -0.126 4.379 4.470 0.058 0.000 0.222 1015 S C 1.767 176.543 174.600 0.294 0.000 1.031 1015 S CA 0.981 59.430 58.200 0.416 0.000 0.993 1015 S CB -0.233 63.120 63.200 0.256 0.000 0.859 1015 S HN 0.275 nan 8.310 nan 0.000 0.453 1016 L N 0.759 122.097 121.223 0.191 0.000 2.012 1016 L HA -0.131 4.244 4.340 0.058 0.000 0.210 1016 L C 2.057 179.001 176.870 0.123 0.000 1.073 1016 L CA 1.788 56.690 54.840 0.102 0.000 0.748 1016 L CB -0.749 41.338 42.059 0.047 0.000 0.891 1016 L HN 0.386 nan 8.230 nan 0.000 0.431 1017 Y N -1.326 119.019 120.300 0.075 0.000 2.053 1017 Y HA -0.421 4.164 4.550 0.058 0.000 0.277 1017 Y C 2.545 178.524 175.900 0.132 0.000 1.159 1017 Y CA 2.418 60.544 58.100 0.042 0.000 1.125 1017 Y CB -0.713 37.816 38.460 0.115 0.000 0.969 1017 Y HN 0.381 nan 8.280 nan 0.000 0.492 1018 Y N 1.329 121.768 120.300 0.231 0.000 2.128 1018 Y HA -0.294 4.291 4.550 0.057 0.000 0.284 1018 Y C 2.611 178.504 175.900 -0.012 0.000 1.154 1018 Y CA 2.432 60.629 58.100 0.162 0.000 1.149 1018 Y CB -0.644 38.045 38.460 0.381 0.000 0.976 1018 Y HN 0.213 nan 8.280 nan 0.000 0.505 1019 K N -0.535 119.834 120.400 -0.052 0.000 2.057 1019 K HA -0.089 4.266 4.320 0.058 0.000 0.206 1019 K C 2.333 178.773 176.600 -0.267 0.000 1.050 1019 K CA 1.351 57.522 56.287 -0.192 0.000 0.935 1019 K CB -0.718 31.736 32.500 -0.076 0.000 0.715 1019 K HN 0.438 nan 8.250 nan 0.000 0.439 1020 G N 0.559 109.213 108.800 -0.243 0.000 2.422 1020 G HA2 -0.270 3.725 3.960 0.058 0.000 0.218 1020 G HA3 -0.270 3.725 3.960 0.058 0.000 0.218 1020 G C 1.047 175.736 174.900 -0.353 0.000 1.146 1020 G CA 1.160 46.083 45.100 -0.295 0.000 0.769 1020 G HN 0.433 nan 8.290 nan 0.000 0.547 1021 N N -0.074 118.390 118.700 -0.394 0.000 2.270 1021 N HA 0.066 4.841 4.740 0.058 0.000 0.181 1021 N C 2.091 177.415 175.510 -0.309 0.000 1.016 1021 N CA 0.402 53.219 53.050 -0.388 0.000 0.870 1021 N CB -0.042 38.169 38.487 -0.461 0.000 0.979 1021 N HN 0.290 nan 8.380 nan 0.000 0.431 1022 I N 0.780 121.145 120.570 -0.341 0.000 2.252 1022 I HA -0.197 4.008 4.170 0.058 0.000 0.245 1022 I C 1.815 177.749 176.117 -0.306 0.000 1.102 1022 I CA 1.058 62.175 61.300 -0.306 0.000 1.385 1022 I CB -0.082 37.690 38.000 -0.379 0.000 1.064 1022 I HN 0.141 nan 8.210 nan 0.000 0.414 1023 I N 0.519 120.882 120.570 -0.345 0.000 2.493 1023 I HA -0.225 3.980 4.170 0.058 0.000 0.254 1023 I C 2.701 178.568 176.117 -0.416 0.000 1.160 1023 I CA 0.903 61.962 61.300 -0.402 0.000 1.445 1023 I CB -0.350 37.337 38.000 -0.523 0.000 1.086 1023 I HN 0.173 nan 8.210 nan 0.000 0.433 1024 A N 0.553 123.152 122.820 -0.370 0.000 1.877 1024 A HA -0.256 4.098 4.320 0.058 0.000 0.216 1024 A C 2.223 179.630 177.584 -0.294 0.000 1.186 1024 A CA 1.981 53.829 52.037 -0.315 0.000 0.620 1024 A CB -0.464 18.369 19.000 -0.278 0.000 0.822 1024 A HN 0.362 nan 8.150 nan 0.000 0.443 1025 E N -0.040 119.968 120.200 -0.320 0.000 2.152 1025 E HA 0.037 4.422 4.350 0.058 0.000 0.192 1025 E C 1.975 178.366 176.600 -0.349 0.000 0.983 1025 E CA 1.261 57.423 56.400 -0.396 0.000 0.818 1025 E CB -0.363 29.013 29.700 -0.540 0.000 0.758 1025 E HN 0.474 nan 8.360 nan 0.000 0.467 1026 A N 0.517 123.151 122.820 -0.311 0.000 1.855 1026 A HA -0.120 4.235 4.320 0.058 0.000 0.215 1026 A C 2.283 179.708 177.584 -0.265 0.000 1.191 1026 A CA 1.439 53.303 52.037 -0.289 0.000 0.613 1026 A CB -0.720 18.125 19.000 -0.259 0.000 0.829 1026 A HN 0.323 nan 8.150 nan 0.000 0.442 1027 I N -0.630 119.794 120.570 -0.244 0.000 2.208 1027 I HA -0.248 3.957 4.170 0.058 0.000 0.245 1027 I C 2.501 178.521 176.117 -0.162 0.000 1.097 1027 I CA 1.751 62.944 61.300 -0.178 0.000 1.363 1027 I CB -0.241 37.652 38.000 -0.178 0.000 1.051 1027 I HN 0.428 nan 8.210 nan 0.000 0.413 1028 E N 1.879 121.964 120.200 -0.191 0.000 2.016 1028 E HA -0.070 4.315 4.350 0.058 0.000 0.200 1028 E C 0.968 177.463 176.600 -0.175 0.000 0.949 1028 E CA 1.266 57.566 56.400 -0.166 0.000 0.879 1028 E CB -0.023 29.569 29.700 -0.179 0.000 0.846 1028 E HN 0.148 nan 8.360 nan 0.000 0.507 1029 K N 0.863 121.132 120.400 -0.218 0.000 3.216 1029 K HA 0.088 4.443 4.320 0.058 0.000 0.277 1029 K C 0.556 177.027 176.600 -0.216 0.000 1.246 1029 K CA -0.175 55.993 56.287 -0.200 0.000 1.227 1029 K CB 0.178 32.545 32.500 -0.223 0.000 1.487 1029 K HN 0.102 nan 8.250 nan 0.000 0.341 1030 L N 0.351 121.438 121.223 -0.226 0.000 2.292 1030 L HA 0.060 4.435 4.340 0.058 0.000 0.196 1030 L C 1.121 177.878 176.870 -0.189 0.000 1.246 1030 L CA 1.843 56.514 54.840 -0.282 0.000 0.864 1030 L CB 0.300 42.090 42.059 -0.449 0.000 1.044 1030 L HN 0.281 nan 8.230 nan 0.000 0.504 1031 D N -3.151 117.163 120.400 -0.144 0.000 2.058 1031 D HA 0.035 4.710 4.640 0.058 0.000 0.537 1031 D C -0.043 176.242 176.300 -0.024 0.000 0.886 1031 D CA -0.247 53.652 54.000 -0.169 0.000 1.044 1031 D CB 0.587 41.306 40.800 -0.135 0.000 1.478 1031 D HN -0.120 nan 8.370 nan 0.000 0.480 1032 R N 1.773 122.281 120.500 0.014 0.000 2.545 1032 R HA -0.082 4.293 4.340 0.058 0.000 0.269 1032 R C 0.230 176.605 176.300 0.124 0.000 0.970 1032 R CA 1.043 57.180 56.100 0.062 0.000 1.096 1032 R CB -0.078 30.257 30.300 0.058 0.000 0.889 1032 R HN 0.326 nan 8.270 nan 0.000 0.422 1033 E N -0.392 119.874 120.200 0.111 0.000 3.070 1033 E HA -0.250 4.135 4.350 0.058 0.000 0.285 1033 E C 0.708 177.349 176.600 0.069 0.000 0.972 1033 E CA 1.085 57.530 56.400 0.075 0.000 0.915 1033 E CB -1.376 28.356 29.700 0.053 0.000 1.466 1033 E HN 1.045 nan 8.360 nan 0.000 0.432 1034 G N -0.560 108.292 108.800 0.086 0.000 2.613 1034 G HA2 -0.151 3.844 3.960 0.058 0.000 0.199 1034 G HA3 -0.151 3.844 3.960 0.058 0.000 0.199 1034 G C -0.115 174.844 174.900 0.098 0.000 0.991 1034 G CA -0.242 44.905 45.100 0.079 0.000 0.756 1034 G HN 0.051 nan 8.290 nan 0.000 0.515 1035 Q N 0.457 120.337 119.800 0.132 0.000 2.340 1035 Q HA 0.614 4.989 4.340 0.058 0.000 0.268 1035 Q C -1.117 175.036 176.000 0.255 0.000 1.031 1035 Q CA -0.509 55.397 55.803 0.172 0.000 0.804 1035 Q CB 2.350 31.181 28.738 0.155 0.000 1.286 1035 Q HN 0.197 nan 8.270 nan 0.000 0.448 1036 K N 2.454 122.985 120.400 0.217 0.000 2.265 1036 K HA 0.470 4.825 4.320 0.058 0.000 0.267 1036 K C -0.690 176.042 176.600 0.220 0.000 0.994 1036 K CA -0.213 56.181 56.287 0.178 0.000 0.860 1036 K CB 0.617 33.192 32.500 0.124 0.000 1.099 1036 K HN 0.433 nan 8.250 nan 0.000 0.448 1037 F N -0.263 119.768 119.950 0.136 0.000 2.561 1037 F HA 0.813 5.376 4.527 0.060 0.000 0.321 1037 F C -0.731 175.126 175.800 0.095 0.000 1.065 1037 F CA -1.476 56.580 58.000 0.093 0.000 0.934 1037 F CB 1.010 40.035 39.000 0.041 0.000 1.215 1037 F HN 0.047 nan 8.300 nan 0.000 0.471 1038 V N 2.803 122.824 119.914 0.179 0.000 2.540 1038 V HA 0.609 4.764 4.120 0.058 0.000 0.302 1038 V C -0.744 175.333 176.094 -0.028 0.000 1.035 1038 V CA -0.825 61.453 62.300 -0.036 0.000 0.873 1038 V CB 1.720 33.262 31.823 -0.468 0.000 0.992 1038 V HN 0.790 nan 8.190 nan 0.000 0.428 1039 V N 4.865 124.752 119.914 -0.044 0.000 2.495 1039 V HA 0.540 4.694 4.120 0.058 0.000 0.298 1039 V C -0.921 175.058 176.094 -0.191 0.000 1.031 1039 V CA -0.504 61.778 62.300 -0.030 0.000 0.871 1039 V CB 1.737 33.602 31.823 0.071 0.000 0.988 1039 V HN 0.692 nan 8.190 nan 0.000 0.432 1040 F N 3.441 123.383 119.950 -0.013 0.000 2.402 1040 F HA 0.809 5.370 4.527 0.056 0.000 0.355 1040 F C 0.441 176.282 175.800 0.067 0.000 1.123 1040 F CA -0.225 57.803 58.000 0.047 0.000 1.021 1040 F CB 1.756 40.765 39.000 0.014 0.000 1.160 1040 F HN 0.609 nan 8.300 nan 0.000 0.451 1041 A N 2.538 125.479 122.820 0.201 0.000 2.587 1041 A HA 0.403 4.758 4.320 0.058 0.000 0.293 1041 A C -1.159 176.489 177.584 0.105 0.000 1.087 1041 A CA -0.861 51.247 52.037 0.120 0.000 0.692 1041 A CB 1.283 20.301 19.000 0.030 0.000 1.291 1041 A HN 0.588 nan 8.150 nan 0.000 0.407 1042 D N 0.654 121.100 120.400 0.077 0.000 2.449 1042 D HA 0.007 4.682 4.640 0.058 0.000 0.236 1042 D C 1.286 177.594 176.300 0.013 0.000 1.149 1042 D CA 0.812 54.844 54.000 0.053 0.000 0.878 1042 D CB 1.286 42.103 40.800 0.028 0.000 1.198 1042 D HN 0.415 nan 8.370 nan 0.000 0.446 1043 S N 1.337 117.041 115.700 0.007 0.000 2.400 1043 S HA -0.196 4.309 4.470 0.058 0.000 0.232 1043 S C 1.998 176.569 174.600 -0.049 0.000 1.025 1043 S CA 1.784 59.969 58.200 -0.024 0.000 0.993 1043 S CB -0.126 63.063 63.200 -0.018 0.000 0.808 1043 S HN 0.608 nan 8.310 nan 0.000 0.478 1044 S N 0.652 116.324 115.700 -0.046 0.000 2.453 1044 S HA 0.103 4.608 4.470 0.058 0.000 0.231 1044 S C 1.646 176.207 174.600 -0.064 0.000 1.005 1044 S CA 0.622 58.786 58.200 -0.058 0.000 0.949 1044 S CB -0.449 62.709 63.200 -0.069 0.000 0.774 1044 S HN 0.546 nan 8.310 nan 0.000 0.510 1045 L N 0.136 121.322 121.223 -0.061 0.000 2.375 1045 L HA 0.263 4.638 4.340 0.058 0.000 0.215 1045 L C 2.259 179.069 176.870 -0.099 0.000 1.108 1045 L CA 0.285 55.076 54.840 -0.081 0.000 0.830 1045 L CB -0.362 41.648 42.059 -0.081 0.000 0.959 1045 L HN 0.276 nan 8.230 nan 0.000 0.457 1046 L N -0.902 120.263 121.223 -0.097 0.000 2.068 1046 L HA 0.016 4.391 4.340 0.058 0.000 0.204 1046 L C 0.821 177.591 176.870 -0.168 0.000 1.076 1046 L CA 0.776 55.544 54.840 -0.120 0.000 0.753 1046 L CB -0.195 41.795 42.059 -0.115 0.000 0.910 1046 L HN 0.296 nan 8.230 nan 0.000 0.439 1047 N N -0.930 117.669 118.700 -0.169 0.000 2.518 1047 N HA 0.224 4.999 4.740 0.058 0.000 0.284 1047 N C -0.457 174.956 175.510 -0.161 0.000 1.230 1047 N CA -0.441 52.487 53.050 -0.205 0.000 0.941 1047 N CB 1.313 39.680 38.487 -0.201 0.000 1.219 1047 N HN -0.150 nan 8.380 nan 0.000 0.560 1048 S N 0.052 115.656 115.700 -0.160 0.000 2.558 1048 S HA 0.171 4.676 4.470 0.058 0.000 0.291 1048 S C 0.374 174.923 174.600 -0.084 0.000 1.306 1048 S CA 0.013 58.152 58.200 -0.102 0.000 1.056 1048 S CB -0.063 63.092 63.200 -0.074 0.000 0.836 1048 S HN 0.613 nan 8.310 nan 0.000 0.504 1049 T N 0.741 115.256 114.554 -0.066 0.000 2.901 1049 T HA 0.588 4.973 4.350 0.058 0.000 0.293 1049 T C -3.272 171.396 174.700 -0.053 0.000 1.084 1049 T CA -2.569 59.496 62.100 -0.058 0.000 1.008 1049 T CB 1.231 70.067 68.868 -0.053 0.000 1.170 1049 T HN 0.140 nan 8.240 nan 0.000 0.509 1050 P HA 0.353 nan 4.420 nan 0.000 0.264 1050 P C 0.111 177.357 177.300 -0.089 0.000 1.183 1050 P CA 0.475 63.533 63.100 -0.071 0.000 0.763 1050 P CB 0.220 31.869 31.700 -0.086 0.000 0.807 1051 G N 1.169 109.925 108.800 -0.074 0.000 3.086 1051 G HA2 0.548 4.543 3.960 0.058 0.000 0.282 1051 G HA3 0.548 4.543 3.960 0.058 0.000 0.282 1051 G C -0.899 173.974 174.900 -0.046 0.000 1.343 1051 G CA -0.622 44.439 45.100 -0.065 0.000 0.895 1051 G HN 0.419 nan 8.290 nan 0.000 0.557 1052 T N -1.744 112.816 114.554 0.011 0.000 2.855 1052 T HA 0.432 4.817 4.350 0.058 0.000 0.290 1052 T C 1.428 176.165 174.700 0.061 0.000 0.941 1052 T CA 0.774 62.918 62.100 0.073 0.000 1.030 1052 T CB 0.316 69.255 68.868 0.119 0.000 0.935 1052 T HN 2.245 nan 8.240 nan 0.000 0.564 1053 G N 3.145 111.977 108.800 0.054 0.000 2.180 1053 G HA2 -0.307 3.687 3.960 0.058 0.000 0.263 1053 G HA3 -0.307 3.687 3.960 0.058 0.000 0.263 1053 G C 0.084 175.011 174.900 0.045 0.000 0.989 1053 G CA 0.619 45.748 45.100 0.048 0.000 0.692 1053 G HN 1.293 nan 8.290 nan 0.000 0.526 1054 R N -2.112 118.412 120.500 0.039 0.000 2.774 1054 R HA 0.529 4.904 4.340 0.058 0.000 0.279 1054 R C -3.414 172.911 176.300 0.040 0.000 1.022 1054 R CA -1.461 54.668 56.100 0.049 0.000 0.855 1054 R CB 0.450 30.791 30.300 0.069 0.000 1.279 1054 R HN 0.034 nan 8.270 nan 0.000 0.485 1055 P HA 0.083 nan 4.420 nan 0.000 0.275 1055 P C -0.809 176.514 177.300 0.038 0.000 1.228 1055 P CA -0.383 62.747 63.100 0.050 0.000 0.786 1055 P CB 0.661 32.418 31.700 0.094 0.000 0.927 1056 M N 5.271 124.869 119.600 -0.003 0.000 2.094 1056 M HA 0.385 4.900 4.480 0.058 0.000 0.348 1056 M C -2.589 173.680 176.300 -0.053 0.000 1.267 1056 M CA -2.553 52.730 55.300 -0.028 0.000 1.125 1056 M CB 0.476 33.052 32.600 -0.040 0.000 1.527 1056 M HN 0.039 nan 8.290 nan 0.000 0.447 1057 P HA 0.253 nan 4.420 nan 0.000 0.271 1057 P C 0.087 177.274 177.300 -0.187 0.000 1.220 1057 P CA -0.094 62.829 63.100 -0.295 0.000 0.768 1057 P CB 0.620 31.661 31.700 -1.098 0.000 0.848 1058 G N 2.192 110.871 108.800 -0.203 0.000 2.664 1058 G HA2 -0.002 3.993 3.960 0.058 0.000 0.242 1058 G HA3 -0.002 3.993 3.960 0.058 0.000 0.242 1058 G C 0.986 175.813 174.900 -0.122 0.000 1.225 1058 G CA -0.516 44.485 45.100 -0.165 0.000 0.849 1058 G HN 0.606 nan 8.290 nan 0.000 0.581 1059 L N 1.548 122.709 121.223 -0.103 0.000 2.081 1059 L HA -0.140 4.235 4.340 0.058 0.000 0.212 1059 L C 2.845 179.683 176.870 -0.053 0.000 1.080 1059 L CA 1.322 56.116 54.840 -0.076 0.000 0.754 1059 L CB -0.198 41.798 42.059 -0.105 0.000 0.893 1059 L HN 0.355 nan 8.230 nan 0.000 0.433 1060 V N -0.565 119.279 119.914 -0.117 0.000 2.343 1060 V HA -0.345 3.810 4.120 0.058 0.000 0.247 1060 V C 2.521 178.500 176.094 -0.190 0.000 1.051 1060 V CA 2.073 64.309 62.300 -0.107 0.000 1.036 1060 V CB -0.292 31.448 31.823 -0.139 0.000 0.654 1060 V HN 0.548 nan 8.190 nan 0.000 0.451 1061 Q N -1.393 118.108 119.800 -0.500 0.000 2.119 1061 Q HA -0.175 4.200 4.340 0.058 0.000 0.201 1061 Q C 1.982 177.856 176.000 -0.210 0.000 0.972 1061 Q CA 1.923 57.316 55.803 -0.684 0.000 0.847 1061 Q CB -0.417 27.847 28.738 -0.790 0.000 0.903 1061 Q HN 0.745 nan 8.270 nan 0.000 0.433 1062 Y N -0.298 119.862 120.300 -0.233 0.000 2.293 1062 Y HA -0.087 4.497 4.550 0.057 0.000 0.291 1062 Y C 1.499 177.420 175.900 0.034 0.000 1.137 1062 Y CA 0.916 58.953 58.100 -0.105 0.000 1.202 1062 Y CB 0.154 38.478 38.460 -0.227 0.000 0.990 1062 Y HN 0.074 nan 8.280 nan 0.000 0.537 1063 L N -0.529 120.807 121.223 0.188 0.000 2.607 1063 L HA 0.045 4.420 4.340 0.058 0.000 0.228 1063 L C 0.977 178.024 176.870 0.296 0.000 1.123 1063 L CA 0.255 55.229 54.840 0.223 0.000 0.890 1063 L CB -0.081 42.112 42.059 0.223 0.000 1.103 1063 L HN 0.065 nan 8.230 nan 0.000 0.468 1064 K N 1.667 122.265 120.400 0.330 0.000 3.117 1064 K HA -0.192 4.163 4.320 0.058 0.000 0.269 1064 K C -0.306 176.512 176.600 0.364 0.000 1.098 1064 K CA 0.462 57.028 56.287 0.464 0.000 0.785 1064 K CB -1.150 31.554 32.500 0.340 0.000 1.242 1064 K HN 0.560 nan 8.250 nan 0.000 0.491 1065 I N -3.758 116.925 120.570 0.189 0.000 3.206 1065 I HA 0.763 4.968 4.170 0.058 0.000 0.313 1065 I C -2.796 172.969 176.117 -0.586 0.000 1.103 1065 I CA -2.815 58.384 61.300 -0.169 0.000 0.985 1065 I CB 2.340 40.361 38.000 0.036 0.000 1.240 1065 I HN -0.220 nan 8.210 nan 0.000 0.464 1066 P HA 0.389 nan 4.420 nan 0.000 0.293 1066 P C -1.120 176.064 177.300 -0.193 0.000 1.291 1066 P CA -0.452 62.353 63.100 -0.491 0.000 0.867 1066 P CB 1.628 33.053 31.700 -0.459 0.000 1.074 1067 A N 2.399 125.112 122.820 -0.179 0.000 2.331 1067 A HA 0.659 5.014 4.320 0.058 0.000 0.283 1067 A C 0.355 177.682 177.584 -0.428 0.000 1.142 1067 A CA 0.021 51.883 52.037 -0.291 0.000 0.812 1067 A CB -0.278 18.534 19.000 -0.314 0.000 1.074 1067 A HN 0.654 nan 8.150 nan 0.000 0.497 1068 T N -0.961 113.378 114.554 -0.358 0.000 2.896 1068 T HA 0.753 5.138 4.350 0.058 0.000 0.297 1068 T C -0.301 174.269 174.700 -0.216 0.000 1.108 1068 T CA -0.044 61.825 62.100 -0.386 0.000 1.004 1068 T CB 1.010 69.596 68.868 -0.470 0.000 1.159 1068 T HN 1.736 nan 8.240 nan 0.000 0.499 1069 V N -1.269 118.567 119.914 -0.130 0.000 3.158 1069 V HA 0.973 5.128 4.120 0.058 0.000 0.311 1069 V C -1.109 175.052 176.094 0.113 0.000 1.181 1069 V CA -1.108 61.201 62.300 0.014 0.000 1.054 1069 V CB 1.749 33.559 31.823 -0.022 0.000 1.085 1069 V HN 0.905 nan 8.190 nan 0.000 0.446 1070 V N 2.186 122.178 119.914 0.131 0.000 2.525 1070 V HA 0.444 4.599 4.120 0.058 0.000 0.299 1070 V C -0.605 175.538 176.094 0.081 0.000 1.034 1070 V CA -0.361 62.003 62.300 0.107 0.000 0.863 1070 V CB 1.359 33.256 31.823 0.124 0.000 0.999 1070 V HN 1.235 nan 8.190 nan 0.000 0.423 1071 D N 2.988 123.424 120.400 0.060 0.000 2.414 1071 D HA 0.165 4.840 4.640 0.058 0.000 0.259 1071 D C 1.549 177.884 176.300 0.058 0.000 1.269 1071 D CA 0.176 54.208 54.000 0.052 0.000 1.028 1071 D CB 0.564 41.389 40.800 0.041 0.000 1.093 1071 D HN 0.457 nan 8.370 nan 0.000 0.545 1072 S N -0.806 114.924 115.700 0.051 0.000 2.399 1072 S HA -0.216 4.289 4.470 0.058 0.000 0.231 1072 S C 1.147 175.779 174.600 0.053 0.000 1.022 1072 S CA 1.170 59.400 58.200 0.051 0.000 0.983 1072 S CB -0.544 62.681 63.200 0.042 0.000 0.803 1072 S HN 0.473 nan 8.310 nan 0.000 0.480 1073 D N 1.509 121.940 120.400 0.052 0.000 2.149 1073 D HA 0.169 4.844 4.640 0.058 0.000 0.201 1073 D C 1.589 177.930 176.300 0.069 0.000 0.972 1073 D CA 1.361 55.394 54.000 0.054 0.000 0.835 1073 D CB -0.548 40.281 40.800 0.048 0.000 0.966 1073 D HN 0.703 nan 8.370 nan 0.000 0.476 1074 G N -0.067 108.778 108.800 0.075 0.000 2.155 1074 G HA2 0.035 4.030 3.960 0.058 0.000 0.130 1074 G HA3 0.035 4.030 3.960 0.058 0.000 0.130 1074 G C 0.167 175.119 174.900 0.087 0.000 1.027 1074 G CA 0.037 45.195 45.100 0.096 0.000 0.705 1074 G HN 0.563 nan 8.290 nan 0.000 0.496 1075 A N -0.328 122.532 122.820 0.067 0.000 2.316 1075 A HA 0.679 5.034 4.320 0.058 0.000 0.284 1075 A C -0.493 177.126 177.584 0.059 0.000 1.115 1075 A CA -0.277 51.802 52.037 0.071 0.000 0.812 1075 A CB 0.724 19.762 19.000 0.063 0.000 1.064 1075 A HN 1.334 nan 8.150 nan 0.000 0.489 1076 W N 3.901 125.092 121.300 -0.180 0.000 2.393 1076 W HA 0.524 5.197 4.660 0.022 0.000 0.315 1076 W C -0.343 176.200 176.519 0.041 0.000 1.009 1076 W CA -0.343 56.857 57.345 -0.242 0.000 1.313 1076 W CB 0.971 30.018 29.460 -0.689 0.000 1.269 1076 W HN 0.822 nan 8.180 nan 0.000 0.420 1077 Q N 5.694 125.358 119.800 -0.227 0.000 2.553 1077 Q HA 0.411 4.786 4.340 0.058 0.000 0.293 1077 Q C -1.323 174.551 176.000 -0.212 0.000 1.038 1077 Q CA -1.045 54.712 55.803 -0.075 0.000 0.777 1077 Q CB 1.855 30.636 28.738 0.071 0.000 1.487 1077 Q HN 0.506 nan 8.270 nan 0.000 0.426 1078 F N 1.184 120.920 119.950 -0.356 0.000 2.602 1078 F HA 0.230 4.786 4.527 0.049 0.000 0.367 1078 F C -0.542 175.141 175.800 -0.194 0.000 1.126 1078 F CA -0.174 57.554 58.000 -0.454 0.000 1.321 1078 F CB 0.517 39.306 39.000 -0.351 0.000 1.094 1078 F HN 0.518 nan 8.300 nan 0.000 0.594 1079 L N 8.826 129.384 121.223 -1.109 0.000 2.262 1079 L HA 0.412 4.786 4.340 0.058 0.000 0.288 1079 L C -2.123 174.082 176.870 -1.108 0.000 1.035 1079 L CA -2.264 52.096 54.840 -0.801 0.000 0.820 1079 L CB 1.052 42.800 42.059 -0.518 0.000 1.204 1079 L HN 0.490 nan 8.230 nan 0.000 0.424 1080 P HA 0.027 nan 4.420 nan 0.000 0.271 1080 P C -1.142 176.097 177.300 -0.102 0.000 1.216 1080 P CA -0.206 62.839 63.100 -0.092 0.000 0.771 1080 P CB 0.924 32.673 31.700 0.083 0.000 0.864 1081 D N 2.981 123.394 120.400 0.023 0.000 2.441 1081 D HA 0.112 4.787 4.640 0.058 0.000 0.221 1081 D C -0.353 175.939 176.300 -0.013 0.000 1.156 1081 D CA -0.420 53.553 54.000 -0.044 0.000 0.896 1081 D CB 0.063 40.797 40.800 -0.110 0.000 1.028 1081 D HN -0.051 nan 8.370 nan 0.000 0.509 1082 V N 3.999 123.892 119.914 -0.035 0.000 2.655 1082 V HA 0.252 4.407 4.120 0.058 0.000 0.300 1082 V C 1.489 177.550 176.094 -0.054 0.000 1.044 1082 V CA 0.407 62.692 62.300 -0.025 0.000 1.095 1082 V CB 0.958 32.767 31.823 -0.023 0.000 0.952 1082 V HN 0.701 nan 8.190 nan 0.000 0.485 1083 A N 4.607 127.398 122.820 -0.049 0.000 2.186 1083 A HA -0.110 4.245 4.320 0.058 0.000 0.219 1083 A C 2.331 179.877 177.584 -0.064 0.000 1.159 1083 A CA 1.944 53.937 52.037 -0.074 0.000 0.680 1083 A CB -0.530 18.438 19.000 -0.054 0.000 0.787 1083 A HN 1.062 nan 8.150 nan 0.000 0.467 1084 S N -0.771 114.901 115.700 -0.046 0.000 2.436 1084 S HA -0.057 4.448 4.470 0.058 0.000 0.228 1084 S C 2.101 176.673 174.600 -0.046 0.000 1.014 1084 S CA 1.395 59.572 58.200 -0.038 0.000 0.950 1084 S CB -0.277 62.908 63.200 -0.026 0.000 0.784 1084 S HN 0.600 nan 8.310 nan 0.000 0.504 1085 S N 1.185 116.849 115.700 -0.059 0.000 2.406 1085 S HA 0.101 4.606 4.470 0.058 0.000 0.228 1085 S C 1.035 175.592 174.600 -0.071 0.000 1.020 1085 S CA 0.541 58.701 58.200 -0.065 0.000 0.965 1085 S CB -0.150 63.003 63.200 -0.079 0.000 0.798 1085 S HN 0.476 nan 8.310 nan 0.000 0.488 1086 R N 2.089 122.532 120.500 -0.095 0.000 4.860 1086 R HA 0.146 4.521 4.340 0.058 0.000 0.191 1086 R C -0.414 175.852 176.300 -0.056 0.000 1.936 1086 R CA -0.182 55.857 56.100 -0.103 0.000 1.609 1086 R CB -0.492 29.680 30.300 -0.213 0.000 1.392 1086 R HN 0.251 nan 8.270 nan 0.000 0.844 1087 V N -2.650 117.242 119.914 -0.037 0.000 3.001 1087 V HA 0.675 4.830 4.120 0.058 0.000 0.314 1087 V C -2.460 173.624 176.094 -0.017 0.000 1.099 1087 V CA -3.189 59.097 62.300 -0.023 0.000 0.989 1087 V CB 2.218 34.026 31.823 -0.025 0.000 1.040 1087 V HN 0.076 nan 8.190 nan 0.000 0.434 1088 P HA 0.367 nan 4.420 nan 0.000 0.274 1088 P C -0.236 177.048 177.300 -0.028 0.000 1.246 1088 P CA -0.267 62.828 63.100 -0.008 0.000 0.795 1088 P CB 0.805 32.511 31.700 0.010 0.000 1.006 1089 I N 0.907 121.447 120.570 -0.050 0.000 2.588 1089 I HA 0.009 4.214 4.170 0.058 0.000 0.283 1089 I C 1.323 177.431 176.117 -0.015 0.000 1.119 1089 I CA 0.102 61.358 61.300 -0.074 0.000 1.419 1089 I CB -0.121 37.760 38.000 -0.198 0.000 1.394 1089 I HN 0.253 nan 8.210 nan 0.000 0.562 1090 E N 5.741 125.937 120.200 -0.007 0.000 2.311 1090 E HA 0.040 4.425 4.350 0.058 0.000 0.247 1090 E C -0.321 176.302 176.600 0.038 0.000 1.215 1090 E CA -0.218 56.191 56.400 0.015 0.000 0.957 1090 E CB 0.257 29.965 29.700 0.013 0.000 1.020 1090 E HN 0.439 nan 8.360 nan 0.000 0.461 1091 V N 1.263 121.202 119.914 0.043 0.000 3.036 1091 V HA 0.473 4.627 4.120 0.058 0.000 0.308 1091 V C 0.211 176.323 176.094 0.030 0.000 1.070 1091 V CA -0.575 61.757 62.300 0.053 0.000 1.056 1091 V CB 1.863 33.711 31.823 0.042 0.000 1.084 1091 V HN 0.394 nan 8.190 nan 0.000 0.471 1092 T N 1.877 116.442 114.554 0.018 0.000 2.930 1092 T HA 0.366 4.751 4.350 0.058 0.000 0.313 1092 T C -0.370 174.324 174.700 -0.009 0.000 1.019 1092 T CA -0.210 61.896 62.100 0.010 0.000 1.004 1092 T CB 0.769 69.646 68.868 0.014 0.000 0.987 1092 T HN 1.030 nan 8.240 nan 0.000 0.456 1093 E N 3.245 123.444 120.200 -0.002 0.000 2.708 1093 E HA 0.006 4.391 4.350 0.058 0.000 0.260 1093 E C -0.318 176.282 176.600 -0.001 0.000 0.937 1093 E CA -0.013 56.382 56.400 -0.009 0.000 0.953 1093 E CB 0.285 30.010 29.700 0.042 0.000 0.915 1093 E HN 0.493 nan 8.360 nan 0.000 0.487 1094 L N 4.435 125.632 121.223 -0.043 0.000 2.453 1094 L HA 0.064 4.439 4.340 0.058 0.000 0.272 1094 L C 0.782 177.734 176.870 0.137 0.000 1.182 1094 L CA -0.006 54.841 54.840 0.012 0.000 0.858 1094 L CB 0.314 42.329 42.059 -0.073 0.000 1.120 1094 L HN 0.638 nan 8.230 nan 0.000 0.474 1095 E N 3.546 123.810 120.200 0.106 0.000 3.131 1095 E HA -0.199 4.186 4.350 0.058 0.000 0.258 1095 E C 0.149 176.843 176.600 0.157 0.000 0.901 1095 E CA 0.371 56.835 56.400 0.108 0.000 0.964 1095 E CB -0.025 29.720 29.700 0.075 0.000 0.903 1095 E HN 0.573 nan 8.360 nan 0.000 0.537 1096 N N 0.847 119.625 118.700 0.131 0.000 2.713 1096 N HA -0.243 4.532 4.740 0.058 0.000 0.251 1096 N C -0.673 174.921 175.510 0.140 0.000 1.117 1096 N CA 0.819 53.934 53.050 0.108 0.000 0.770 1096 N CB -1.425 37.097 38.487 0.059 0.000 1.137 1096 N HN 0.596 nan 8.380 nan 0.000 0.566 1097 W N 2.344 123.654 121.300 0.016 0.000 2.347 1097 W HA -0.009 4.687 4.660 0.059 0.000 0.333 1097 W C -0.164 176.369 176.519 0.024 0.000 1.383 1097 W CA 0.497 57.853 57.345 0.019 0.000 1.283 1097 W CB 0.350 29.823 29.460 0.021 0.000 1.253 1097 W HN 0.051 nan 8.180 nan 0.000 0.563 1098 Q N 5.352 124.817 119.800 -0.559 0.000 2.314 1098 Q HA 0.164 4.539 4.340 0.058 0.000 0.259 1098 Q C -0.026 175.635 176.000 -0.564 0.000 0.951 1098 Q CA -0.618 54.949 55.803 -0.393 0.000 0.909 1098 Q CB 1.697 30.246 28.738 -0.315 0.000 1.236 1098 Q HN 0.252 nan 8.270 nan 0.000 0.444 1099 V N 4.565 124.407 119.914 -0.120 0.000 2.625 1099 V HA -0.174 3.981 4.120 0.058 0.000 0.305 1099 V C 1.857 177.919 176.094 -0.053 0.000 1.055 1099 V CA 0.730 63.060 62.300 0.051 0.000 1.209 1099 V CB -0.337 31.566 31.823 0.134 0.000 0.877 1099 V HN 0.755 nan 8.190 nan 0.000 0.489 1100 L N 3.616 124.839 121.223 -0.001 0.000 2.049 1100 L HA 0.026 4.401 4.340 0.058 0.000 0.203 1100 L C 1.662 178.547 176.870 0.025 0.000 1.074 1100 L CA 1.092 55.893 54.840 -0.065 0.000 0.749 1100 L CB -0.474 41.573 42.059 -0.020 0.000 0.907 1100 L HN 0.899 nan 8.230 nan 0.000 0.439 1101 T N -0.298 114.320 114.554 0.107 0.000 2.870 1101 T HA 0.202 4.587 4.350 0.058 0.000 0.300 1101 T C -2.354 172.455 174.700 0.183 0.000 0.989 1101 T CA -1.587 60.613 62.100 0.167 0.000 1.139 1101 T CB 0.447 69.415 68.868 0.167 0.000 0.920 1101 T HN -0.033 nan 8.240 nan 0.000 0.537 1102 P HA 0.203 nan 4.420 nan 0.000 0.267 1102 P C -2.030 175.417 177.300 0.246 0.000 1.209 1102 P CA -1.469 61.767 63.100 0.226 0.000 0.763 1102 P CB 0.400 32.247 31.700 0.244 0.000 0.816 1103 P HA -0.117 nan 4.420 nan 0.000 0.217 1103 P C 0.467 177.873 177.300 0.177 0.000 1.150 1103 P CA 1.631 64.830 63.100 0.165 0.000 0.832 1103 P CB 0.142 31.920 31.700 0.130 0.000 0.787 1104 Q N 0.005 119.938 119.800 0.221 0.000 2.345 1104 Q HA 0.508 4.883 4.340 0.058 0.000 0.268 1104 Q C 0.305 176.469 176.000 0.274 0.000 1.054 1104 Q CA -0.615 55.313 55.803 0.208 0.000 0.835 1104 Q CB 1.545 30.380 28.738 0.162 0.000 1.339 1104 Q HN 0.166 nan 8.270 nan 0.000 0.447 1105 G N 1.691 110.565 108.800 0.124 0.000 2.806 1105 G HA2 -0.243 3.752 3.960 0.058 0.000 0.236 1105 G HA3 -0.243 3.752 3.960 0.058 0.000 0.236 1105 G C -1.057 173.702 174.900 -0.235 0.000 1.387 1105 G CA 0.084 45.096 45.100 -0.146 0.000 0.884 1105 G HN 1.116 nan 8.290 nan 0.000 0.560 1106 K N -1.416 118.606 120.400 -0.630 0.000 2.508 1106 K HA 0.715 5.070 4.320 0.058 0.000 0.260 1106 K C -0.482 175.876 176.600 -0.404 0.000 0.949 1106 K CA -1.300 54.803 56.287 -0.307 0.000 0.834 1106 K CB 1.951 34.446 32.500 -0.010 0.000 1.365 1106 K HN 0.504 nan 8.250 nan 0.000 0.437 1107 I N 2.771 123.416 120.570 0.124 0.000 2.587 1107 I HA -0.074 4.131 4.170 0.058 0.000 0.284 1107 I C 1.181 177.354 176.117 0.094 0.000 1.134 1107 I CA -0.288 61.145 61.300 0.221 0.000 1.410 1107 I CB 0.586 38.764 38.000 0.296 0.000 1.392 1107 I HN 0.608 nan 8.210 nan 0.000 0.545 1108 L N 6.247 127.488 121.223 0.030 0.000 2.291 1108 L HA 0.263 4.638 4.340 0.058 0.000 0.214 1108 L C 0.820 177.849 176.870 0.265 0.000 1.120 1108 L CA 0.846 55.701 54.840 0.026 0.000 0.799 1108 L CB -0.130 41.786 42.059 -0.239 0.000 0.925 1108 L HN 0.798 nan 8.230 nan 0.000 0.446 1109 G N -1.388 107.599 108.800 0.313 0.000 2.378 1109 G HA2 0.161 4.156 3.960 0.058 0.000 0.302 1109 G HA3 0.161 4.156 3.960 0.058 0.000 0.302 1109 G C -1.107 173.961 174.900 0.279 0.000 1.669 1109 G CA -0.836 44.468 45.100 0.340 0.000 0.920 1109 G HN -0.090 nan 8.290 nan 0.000 0.697 1110 L N 1.786 123.107 121.223 0.165 0.000 2.796 1110 L HA 0.355 4.730 4.340 0.058 0.000 0.235 1110 L C 0.827 177.749 176.870 0.086 0.000 1.344 1110 L CA -0.152 54.757 54.840 0.114 0.000 1.245 1110 L CB -0.590 41.522 42.059 0.088 0.000 1.556 1110 L HN 0.682 nan 8.230 nan 0.000 0.423 1111 K N -0.472 119.986 120.400 0.098 0.000 2.466 1111 K HA 0.409 4.764 4.320 0.058 0.000 0.277 1111 K C -1.071 175.592 176.600 0.105 0.000 1.039 1111 K CA -1.030 55.286 56.287 0.049 0.000 0.904 1111 K CB 1.451 33.879 32.500 -0.119 0.000 1.506 1111 K HN -0.064 nan 8.250 nan 0.000 0.441 1112 Q N 1.285 121.151 119.800 0.111 0.000 2.296 1112 Q HA 0.251 4.626 4.340 0.058 0.000 0.257 1112 Q C -1.451 174.550 176.000 0.001 0.000 0.942 1112 Q CA -0.629 55.226 55.803 0.086 0.000 0.939 1112 Q CB 0.433 29.226 28.738 0.093 0.000 1.198 1112 Q HN 0.463 nan 8.270 nan 0.000 0.429 1113 F N 3.346 123.240 119.950 -0.093 0.000 2.443 1113 F HA 0.306 4.867 4.527 0.058 0.000 0.353 1113 F C 0.471 176.187 175.800 -0.141 0.000 1.101 1113 F CA 0.280 58.203 58.000 -0.127 0.000 1.226 1113 F CB 0.912 39.797 39.000 -0.191 0.000 1.140 1113 F HN 0.404 nan 8.300 nan 0.000 0.557 1114 K N 2.542 122.933 120.400 -0.014 0.000 2.482 1114 K HA 0.450 4.805 4.320 0.058 0.000 0.257 1114 K C -1.413 175.129 176.600 -0.097 0.000 0.969 1114 K CA -1.129 55.120 56.287 -0.064 0.000 0.842 1114 K CB 1.835 34.300 32.500 -0.059 0.000 1.359 1114 K HN 0.219 nan 8.250 nan 0.000 0.441 1115 L N 1.888 123.012 121.223 -0.165 0.000 2.485 1115 L HA 0.030 4.405 4.340 0.058 0.000 0.275 1115 L C 1.425 178.228 176.870 -0.113 0.000 1.207 1115 L CA 0.972 55.698 54.840 -0.190 0.000 0.855 1115 L CB 0.584 42.448 42.059 -0.326 0.000 1.114 1115 L HN 0.832 nan 8.230 nan 0.000 0.485 1116 T N 1.928 116.429 114.554 -0.088 0.000 2.770 1116 T HA 0.073 4.458 4.350 0.058 0.000 0.263 1116 T C 0.990 175.664 174.700 -0.044 0.000 1.039 1116 T CA 1.357 63.423 62.100 -0.056 0.000 1.142 1116 T CB 0.268 69.111 68.868 -0.042 0.000 0.868 1116 T HN 0.740 nan 8.240 nan 0.000 0.435 1117 A N 0.487 123.280 122.820 -0.045 0.000 3.426 1117 A HA 0.782 5.137 4.320 0.058 0.000 0.185 1117 A C 0.991 178.566 177.584 -0.015 0.000 1.057 1117 A CA 0.010 52.036 52.037 -0.019 0.000 1.261 1117 A CB -0.445 18.553 19.000 -0.003 0.000 1.676 1117 A HN 0.388 nan 8.150 nan 0.000 0.658 1118 G N -1.021 107.794 108.800 0.025 0.000 2.631 1118 G HA2 0.435 4.430 3.960 0.058 0.000 0.271 1118 G HA3 0.435 4.430 3.960 0.058 0.000 0.271 1118 G C -0.579 174.362 174.900 0.068 0.000 1.302 1118 G CA -0.334 44.822 45.100 0.093 0.000 1.002 1118 G HN 0.269 nan 8.290 nan 0.000 0.519 1119 F N 0.536 120.494 119.950 0.014 0.000 2.429 1119 F HA 0.321 4.883 4.527 0.058 0.000 0.348 1119 F C -1.381 174.441 175.800 0.037 0.000 1.109 1119 F CA -1.443 56.571 58.000 0.024 0.000 1.232 1119 F CB 0.969 39.986 39.000 0.030 0.000 1.157 1119 F HN 0.098 nan 8.300 nan 0.000 0.564 1120 P HA 0.101 nan 4.420 nan 0.000 0.263 1120 P C -0.527 176.862 177.300 0.149 0.000 1.195 1120 P CA -0.045 63.117 63.100 0.104 0.000 0.762 1120 P CB 0.345 32.088 31.700 0.071 0.000 0.799 1121 T N -0.922 113.698 114.554 0.110 0.000 2.938 1121 T HA 0.298 4.683 4.350 0.058 0.000 0.285 1121 T C 1.078 175.828 174.700 0.083 0.000 1.028 1121 T CA -0.711 61.451 62.100 0.105 0.000 1.005 1121 T CB 1.166 70.086 68.868 0.087 0.000 1.157 1121 T HN 0.165 nan 8.240 nan 0.000 0.550 1122 E N 0.068 120.313 120.200 0.076 0.000 2.160 1122 E HA -0.189 4.196 4.350 0.058 0.000 0.195 1122 E C 1.936 178.566 176.600 0.050 0.000 0.991 1122 E CA 1.268 57.704 56.400 0.060 0.000 0.810 1122 E CB -0.171 29.562 29.700 0.054 0.000 0.742 1122 E HN 0.802 nan 8.360 nan 0.000 0.466 1123 Q N 0.466 120.294 119.800 0.048 0.000 2.123 1123 Q HA -0.114 4.261 4.340 0.058 0.000 0.199 1123 Q C 2.224 178.247 176.000 0.038 0.000 0.966 1123 Q CA 1.605 57.431 55.803 0.039 0.000 0.845 1123 Q CB 0.063 28.823 28.738 0.037 0.000 0.907 1123 Q HN 0.259 nan 8.270 nan 0.000 0.439 1124 S N 0.187 115.913 115.700 0.043 0.000 2.368 1124 S HA -0.162 4.343 4.470 0.058 0.000 0.225 1124 S C 1.784 176.405 174.600 0.036 0.000 1.030 1124 S CA 1.041 59.263 58.200 0.038 0.000 0.999 1124 S CB -0.278 62.947 63.200 0.041 0.000 0.844 1124 S HN 0.392 nan 8.310 nan 0.000 0.459 1125 R N 0.314 120.840 120.500 0.043 0.000 2.193 1125 R HA 0.283 4.658 4.340 0.058 0.000 0.213 1125 R C 2.258 178.586 176.300 0.047 0.000 1.055 1125 R CA 0.638 56.766 56.100 0.046 0.000 0.995 1125 R CB -0.636 29.698 30.300 0.056 0.000 0.893 1125 R HN 0.318 nan 8.270 nan 0.000 0.459 1126 L N 1.960 123.208 121.223 0.042 0.000 2.010 1126 L HA -0.192 4.183 4.340 0.058 0.000 0.219 1126 L C -0.845 176.047 176.870 0.036 0.000 1.077 1126 L CA 2.152 57.014 54.840 0.037 0.000 0.773 1126 L CB -0.686 41.391 42.059 0.031 0.000 0.892 1126 L HN 0.110 nan 8.230 nan 0.000 0.436 1127 P HA -0.076 nan 4.420 nan 0.000 0.229 1127 P C 1.688 179.010 177.300 0.035 0.000 1.160 1127 P CA 0.605 63.724 63.100 0.030 0.000 0.777 1127 P CB 0.084 31.799 31.700 0.025 0.000 0.814 1128 L N -0.388 120.858 121.223 0.038 0.000 2.156 1128 L HA -0.082 4.293 4.340 0.058 0.000 0.208 1128 L C 1.927 178.825 176.870 0.047 0.000 1.095 1128 L CA 1.539 56.400 54.840 0.036 0.000 0.770 1128 L CB -1.412 40.666 42.059 0.033 0.000 0.914 1128 L HN -0.095 nan 8.230 nan 0.000 0.439 1129 L N -2.479 118.790 121.223 0.077 0.000 2.109 1129 L HA 0.084 4.459 4.340 0.058 0.000 0.207 1129 L C 0.839 177.787 176.870 0.131 0.000 1.086 1129 L CA 1.175 56.097 54.840 0.137 0.000 0.760 1129 L CB -0.657 41.529 42.059 0.213 0.000 0.910 1129 L HN 0.057 nan 8.230 nan 0.000 0.437 1130 E N 0.787 121.037 120.200 0.083 0.000 2.448 1130 E HA 0.185 4.570 4.350 0.058 0.000 0.288 1130 E C -0.634 175.992 176.600 0.044 0.000 0.936 1130 E CA -0.277 56.163 56.400 0.066 0.000 0.809 1130 E CB 0.505 30.240 29.700 0.058 0.000 1.408 1130 E HN 0.316 nan 8.360 nan 0.000 0.393 1131 N N 1.595 120.317 118.700 0.037 0.000 1.149 1131 N HA -0.402 4.373 4.740 0.058 0.000 0.118 1131 N C 0.672 176.210 175.510 0.046 0.000 0.756 1131 N CA 2.674 55.745 53.050 0.035 0.000 0.861 1131 N CB -1.309 37.196 38.487 0.029 0.000 1.099 1131 N HN 0.869 nan 8.380 nan 0.000 0.597 1132 S N -1.388 114.338 115.700 0.043 0.000 3.687 1132 S HA -0.320 4.185 4.470 0.058 0.000 0.619 1132 S C 1.319 175.943 174.600 0.040 0.000 2.483 1132 S CA 3.659 61.887 58.200 0.046 0.000 4.088 1132 S CB -1.386 61.880 63.200 0.110 0.000 0.326 1132 S HN 1.525 nan 8.310 nan 0.000 0.982 1133 V N -3.428 116.520 119.914 0.056 0.000 3.219 1133 V HA 0.522 4.677 4.120 0.058 0.000 0.240 1133 V C 1.146 177.271 176.094 0.052 0.000 1.222 1133 V CA 0.920 63.247 62.300 0.044 0.000 1.181 1133 V CB 0.104 31.948 31.823 0.035 0.000 0.941 1133 V HN 1.130 nan 8.190 nan 0.000 0.471 1134 S N 1.215 116.960 115.700 0.075 0.000 2.687 1134 S HA 0.445 4.950 4.470 0.058 0.000 0.283 1134 S C 0.105 174.745 174.600 0.067 0.000 1.170 1134 S CA -0.361 57.883 58.200 0.074 0.000 1.008 1134 S CB 1.181 64.442 63.200 0.102 0.000 1.026 1134 S HN 0.744 nan 8.310 nan 0.000 0.541 1135 E N 1.495 121.729 120.200 0.056 0.000 2.622 1135 E HA 0.155 4.540 4.350 0.058 0.000 0.255 1135 E C -0.800 175.835 176.600 0.058 0.000 1.313 1135 E CA -0.406 56.023 56.400 0.047 0.000 1.011 1135 E CB -0.293 29.427 29.700 0.035 0.000 1.173 1135 E HN 0.757 nan 8.360 nan 0.000 0.601 1136 D N 0.346 120.773 120.400 0.045 0.000 2.371 1136 D HA 0.183 4.858 4.640 0.058 0.000 0.256 1136 D C 0.739 177.075 176.300 0.060 0.000 1.193 1136 D CA -0.427 53.601 54.000 0.047 0.000 0.881 1136 D CB 0.586 41.403 40.800 0.028 0.000 1.143 1136 D HN 0.393 nan 8.370 nan 0.000 0.473 1137 L N 1.247 122.526 121.223 0.092 0.000 3.426 1137 L HA -0.466 3.909 4.340 0.058 0.000 0.065 1137 L C 2.334 179.246 176.870 0.070 0.000 4.441 1137 L CA 2.795 57.728 54.840 0.156 0.000 0.474 1137 L CB -1.569 40.627 42.059 0.229 0.000 3.550 1137 L HN 0.812 nan 8.230 nan 0.000 0.698 1138 R N 0.047 120.562 120.500 0.026 0.000 2.134 1138 R HA -0.256 4.119 4.340 0.058 0.000 0.248 1138 R C 1.959 178.231 176.300 -0.046 0.000 1.143 1138 R CA 2.463 58.544 56.100 -0.032 0.000 0.957 1138 R CB -0.357 29.942 30.300 -0.002 0.000 0.867 1138 R HN 0.707 nan 8.270 nan 0.000 0.441 1139 E N -0.260 119.934 120.200 -0.010 0.000 2.085 1139 E HA -0.177 4.208 4.350 0.058 0.000 0.194 1139 E C 1.936 178.529 176.600 -0.013 0.000 0.994 1139 E CA 0.987 57.382 56.400 -0.009 0.000 0.801 1139 E CB -0.026 29.679 29.700 0.008 0.000 0.743 1139 E HN 0.393 nan 8.360 nan 0.000 0.453 1140 E N 0.387 120.595 120.200 0.013 0.000 2.347 1140 E HA -0.086 4.299 4.350 0.058 0.000 0.196 1140 E C 2.075 178.650 176.600 -0.043 0.000 1.008 1140 E CA 0.371 56.796 56.400 0.041 0.000 0.852 1140 E CB 0.122 29.913 29.700 0.153 0.000 0.783 1140 E HN 0.316 nan 8.360 nan 0.000 0.505 1141 L N -0.091 121.018 121.223 -0.190 0.000 2.049 1141 L HA -0.105 4.270 4.340 0.058 0.000 0.203 1141 L C 2.433 179.182 176.870 -0.201 0.000 1.074 1141 L CA 0.649 55.262 54.840 -0.378 0.000 0.749 1141 L CB -0.340 41.364 42.059 -0.592 0.000 0.907 1141 L HN 0.119 nan 8.230 nan 0.000 0.439 1142 M N -0.485 119.037 119.600 -0.130 0.000 2.149 1142 M HA -0.263 4.252 4.480 0.058 0.000 0.261 1142 M C 2.179 178.444 176.300 -0.060 0.000 1.064 1142 M CA 1.617 56.870 55.300 -0.077 0.000 1.102 1142 M CB -1.217 31.354 32.600 -0.047 0.000 1.369 1142 M HN 0.388 nan 8.290 nan 0.000 0.408 1143 Q N 0.700 120.469 119.800 -0.052 0.000 2.079 1143 Q HA -0.201 4.174 4.340 0.058 0.000 0.200 1143 Q C 1.920 177.886 176.000 -0.056 0.000 0.974 1143 Q CA 1.588 57.367 55.803 -0.040 0.000 0.840 1143 Q CB 0.155 28.880 28.738 -0.022 0.000 0.898 1143 Q HN 0.278 nan 8.270 nan 0.000 0.430 1144 K N 0.442 120.801 120.400 -0.067 0.000 2.032 1144 K HA -0.136 4.218 4.320 0.058 0.000 0.209 1144 K C 1.903 178.415 176.600 -0.147 0.000 1.048 1144 K CA 1.254 57.480 56.287 -0.102 0.000 0.927 1144 K CB -0.348 32.111 32.500 -0.068 0.000 0.712 1144 K HN 0.161 nan 8.250 nan 0.000 0.441 1145 I N 1.216 121.721 120.570 -0.107 0.000 2.151 1145 I HA -0.307 3.898 4.170 0.058 0.000 0.243 1145 I C 1.474 177.549 176.117 -0.069 0.000 1.080 1145 I CA 1.742 62.995 61.300 -0.078 0.000 1.339 1145 I CB -0.322 37.657 38.000 -0.036 0.000 1.039 1145 I HN 0.182 nan 8.210 nan 0.000 0.409 1146 D N -0.084 120.283 120.400 -0.056 0.000 2.219 1146 D HA -0.079 4.596 4.640 0.058 0.000 0.205 1146 D C 2.201 178.472 176.300 -0.048 0.000 0.970 1146 D CA 1.186 55.162 54.000 -0.041 0.000 0.851 1146 D CB -0.126 40.656 40.800 -0.029 0.000 0.943 1146 D HN 0.377 nan 8.370 nan 0.000 0.488 1147 A N -0.036 122.744 122.820 -0.066 0.000 1.968 1147 A HA -0.063 4.291 4.320 0.058 0.000 0.217 1147 A C 2.105 179.639 177.584 -0.083 0.000 1.169 1147 A CA 0.712 52.707 52.037 -0.069 0.000 0.638 1147 A CB -0.460 18.495 19.000 -0.076 0.000 0.812 1147 A HN 0.190 nan 8.150 nan 0.000 0.446 1148 I N -0.554 119.947 120.570 -0.115 0.000 2.286 1148 I HA -0.193 4.012 4.170 0.058 0.000 0.245 1148 I C 2.299 178.374 176.117 -0.070 0.000 1.104 1148 I CA 1.154 62.380 61.300 -0.123 0.000 1.397 1148 I CB -0.187 37.695 38.000 -0.197 0.000 1.072 1148 I HN 0.201 nan 8.210 nan 0.000 0.417 1149 K N 0.537 120.906 120.400 -0.050 0.000 2.148 1149 K HA -0.075 4.280 4.320 0.058 0.000 0.204 1149 K C 1.317 177.908 176.600 -0.016 0.000 1.050 1149 K CA 1.052 57.326 56.287 -0.021 0.000 0.942 1149 K CB -0.179 32.316 32.500 -0.010 0.000 0.724 1149 K HN 0.413 nan 8.250 nan 0.000 0.446 1150 N N 1.084 119.769 118.700 -0.024 0.000 2.205 1150 N HA -0.046 4.729 4.740 0.058 0.000 0.201 1150 N C -0.469 175.028 175.510 -0.022 0.000 1.128 1150 N CA 0.012 53.051 53.050 -0.018 0.000 0.867 1150 N CB 0.439 38.916 38.487 -0.017 0.000 0.996 1150 N HN 0.109 nan 8.380 nan 0.000 0.503 1151 D N 0.796 121.177 120.400 -0.031 0.000 2.382 1151 D HA 0.012 4.687 4.640 0.058 0.000 0.259 1151 D C 1.469 177.756 176.300 -0.022 0.000 1.224 1151 D CA -0.028 53.954 54.000 -0.031 0.000 0.894 1151 D CB 1.288 42.061 40.800 -0.044 0.000 1.127 1151 D HN -0.215 nan 8.370 nan 0.000 0.487 1152 V N 5.045 124.949 119.914 -0.017 0.000 2.287 1152 V HA -0.257 3.898 4.120 0.058 0.000 0.248 1152 V C 2.343 178.431 176.094 -0.011 0.000 1.053 1152 V CA 1.610 63.903 62.300 -0.011 0.000 1.027 1152 V CB -0.441 31.377 31.823 -0.009 0.000 0.646 1152 V HN 0.648 nan 8.190 nan 0.000 0.447 1153 K N -0.967 119.424 120.400 -0.014 0.000 2.152 1153 K HA -0.151 4.204 4.320 0.058 0.000 0.206 1153 K C 2.189 178.781 176.600 -0.013 0.000 1.048 1153 K CA 1.283 57.562 56.287 -0.013 0.000 0.933 1153 K CB -0.234 32.257 32.500 -0.015 0.000 0.721 1153 K HN 0.293 nan 8.250 nan 0.000 0.447 1154 M N 0.983 120.572 119.600 -0.018 0.000 2.229 1154 M HA -0.120 4.395 4.480 0.058 0.000 0.264 1154 M C 1.374 177.671 176.300 -0.006 0.000 1.063 1154 M CA 1.419 56.708 55.300 -0.018 0.000 1.114 1154 M CB -0.634 31.946 32.600 -0.033 0.000 1.387 1154 M HN 0.187 nan 8.290 nan 0.000 0.420 1155 N N -0.435 118.263 118.700 -0.004 0.000 2.422 1155 N HA -0.037 4.738 4.740 0.058 0.000 0.181 1155 N C 1.503 177.015 175.510 0.005 0.000 1.080 1155 N CA 1.046 54.099 53.050 0.004 0.000 0.893 1155 N CB 0.226 38.715 38.487 0.004 0.000 0.973 1155 N HN 0.368 nan 8.380 nan 0.000 0.456 1156 S N 0.815 116.515 115.700 0.001 0.000 2.496 1156 S HA -0.027 4.478 4.470 0.058 0.000 0.224 1156 S C 1.761 176.362 174.600 0.002 0.000 0.996 1156 S CA 0.199 58.400 58.200 0.000 0.000 0.927 1156 S CB -0.234 62.965 63.200 -0.002 0.000 0.774 1156 S HN 0.234 nan 8.310 nan 0.000 0.524 1157 L N 1.010 122.235 121.223 0.004 0.000 2.607 1157 L HA 0.472 4.847 4.340 0.058 0.000 0.228 1157 L C 0.522 177.401 176.870 0.015 0.000 1.123 1157 L CA -0.516 54.328 54.840 0.008 0.000 0.890 1157 L CB -0.997 41.066 42.059 0.007 0.000 1.103 1157 L HN 0.196 nan 8.230 nan 0.000 0.468 1158 V N -1.636 118.288 119.914 0.017 0.000 2.655 1158 V HA 0.542 4.697 4.120 0.058 0.000 0.300 1158 V C 0.406 176.504 176.094 0.008 0.000 1.044 1158 V CA 0.048 62.363 62.300 0.025 0.000 1.095 1158 V CB 0.761 32.602 31.823 0.030 0.000 0.952 1158 V HN 0.317 nan 8.190 nan 0.000 0.485 1159 S N 3.455 119.158 115.700 0.005 0.000 2.671 1159 S HA 0.733 5.238 4.470 0.058 0.000 0.299 1159 S C -0.003 174.558 174.600 -0.065 0.000 1.116 1159 S CA -0.528 57.659 58.200 -0.021 0.000 0.912 1159 S CB 1.978 65.172 63.200 -0.010 0.000 1.130 1159 S HN 1.038 nan 8.310 nan 0.000 0.501 1160 M N 1.197 120.750 119.600 -0.079 0.000 2.268 1160 M HA 0.438 4.953 4.480 0.058 0.000 0.355 1160 M C -0.527 175.707 176.300 -0.110 0.000 0.938 1160 M CA -0.048 55.181 55.300 -0.119 0.000 1.025 1160 M CB 0.336 32.882 32.600 -0.091 0.000 1.773 1160 M HN 0.571 nan 8.290 nan 0.000 0.613 1161 E N 1.657 121.808 120.200 -0.081 0.000 2.373 1161 E HA 0.446 4.831 4.350 0.058 0.000 0.263 1161 E C -0.295 176.247 176.600 -0.097 0.000 1.073 1161 E CA 0.212 56.571 56.400 -0.069 0.000 0.894 1161 E CB 1.221 30.898 29.700 -0.038 0.000 1.008 1161 E HN 0.362 nan 8.360 nan 0.000 0.420 1162 A N 2.313 125.084 122.820 -0.081 0.000 2.491 1162 A HA 0.445 4.800 4.320 0.058 0.000 0.261 1162 A C 1.100 178.666 177.584 -0.030 0.000 1.101 1162 A CA 0.477 52.467 52.037 -0.079 0.000 0.772 1162 A CB -0.677 18.302 19.000 -0.035 0.000 1.043 1162 A HN 0.887 nan 8.150 nan 0.000 0.501 1163 G N 1.943 110.740 108.800 -0.006 0.000 2.160 1163 G HA2 -0.270 3.725 3.960 0.058 0.000 0.251 1163 G HA3 -0.270 3.725 3.960 0.058 0.000 0.251 1163 G C 1.070 176.000 174.900 0.050 0.000 1.008 1163 G CA 1.220 46.353 45.100 0.056 0.000 0.724 1163 G HN 1.996 nan 8.290 nan 0.000 0.514 1164 S N -0.894 114.823 115.700 0.028 0.000 2.428 1164 S HA -0.138 4.367 4.470 0.058 0.000 0.230 1164 S C 2.732 177.369 174.600 0.063 0.000 1.014 1164 S CA 1.873 60.091 58.200 0.030 0.000 0.957 1164 S CB -1.034 62.168 63.200 0.004 0.000 0.784 1164 S HN 1.586 nan 8.310 nan 0.000 0.499 1165 C N 1.263 120.633 119.300 0.116 0.000 2.398 1165 C HA -0.137 4.358 4.460 0.058 0.000 0.282 1165 C C 2.370 177.403 174.990 0.073 0.000 1.275 1165 C CA 0.721 59.817 59.018 0.131 0.000 1.797 1165 C CB -1.728 26.139 27.740 0.212 0.000 1.991 1165 C HN 0.554 nan 8.230 nan 0.000 0.505 1166 D N 1.867 122.308 120.400 0.069 0.000 2.116 1166 D HA -0.149 4.526 4.640 0.058 0.000 0.193 1166 D C 2.325 178.643 176.300 0.029 0.000 0.998 1166 D CA 2.555 56.583 54.000 0.046 0.000 0.836 1166 D CB -0.136 40.691 40.800 0.046 0.000 0.951 1166 D HN 0.732 nan 8.370 nan 0.000 0.449 1167 S N -1.150 114.567 115.700 0.028 0.000 2.517 1167 S HA 0.068 4.573 4.470 0.058 0.000 0.214 1167 S C 2.060 176.671 174.600 0.019 0.000 0.991 1167 S CA 0.034 58.246 58.200 0.019 0.000 0.906 1167 S CB 0.446 63.656 63.200 0.016 0.000 0.789 1167 S HN 0.074 nan 8.310 nan 0.000 0.513 1168 V N 2.214 122.145 119.914 0.028 0.000 2.346 1168 V HA -0.079 4.076 4.120 0.058 0.000 0.244 1168 V C 2.758 178.865 176.094 0.021 0.000 1.037 1168 V CA 1.984 64.302 62.300 0.030 0.000 1.029 1168 V CB -1.025 30.829 31.823 0.052 0.000 0.663 1168 V HN 0.532 nan 8.190 nan 0.000 0.454 1169 S N 0.597 116.307 115.700 0.016 0.000 2.359 1169 S HA -0.138 4.367 4.470 0.058 0.000 0.224 1169 S C -0.095 174.500 174.600 -0.009 0.000 1.035 1169 S CA 2.018 60.215 58.200 -0.005 0.000 1.018 1169 S CB -1.514 61.670 63.200 -0.027 0.000 0.876 1169 S HN 0.496 nan 8.310 nan 0.000 0.448 1170 P HA -0.072 nan 4.420 nan 0.000 0.215 1170 P C 1.092 178.390 177.300 -0.004 0.000 1.153 1170 P CA 1.200 64.297 63.100 -0.006 0.000 0.853 1170 P CB -0.025 31.673 31.700 -0.003 0.000 0.788 1171 K N -0.688 119.712 120.400 -0.001 0.000 2.097 1171 K HA -0.067 4.288 4.320 0.058 0.000 0.206 1171 K C 1.968 178.565 176.600 -0.006 0.000 1.049 1171 K CA 1.059 57.344 56.287 -0.002 0.000 0.933 1171 K CB -0.814 31.687 32.500 0.002 0.000 0.717 1171 K HN -0.008 nan 8.250 nan 0.000 0.442 1172 V N 1.415 121.327 119.914 -0.004 0.000 2.261 1172 V HA -0.265 3.889 4.120 0.058 0.000 0.246 1172 V C 2.354 178.438 176.094 -0.015 0.000 1.047 1172 V CA 2.114 64.408 62.300 -0.010 0.000 1.015 1172 V CB -0.698 31.123 31.823 -0.003 0.000 0.642 1172 V HN 0.369 nan 8.190 nan 0.000 0.446 1173 A N -0.149 122.665 122.820 -0.010 0.000 1.940 1173 A HA -0.150 4.205 4.320 0.058 0.000 0.219 1173 A C 2.388 179.968 177.584 -0.006 0.000 1.176 1173 A CA 2.234 54.268 52.037 -0.004 0.000 0.631 1173 A CB -0.733 18.264 19.000 -0.005 0.000 0.814 1173 A HN 0.588 nan 8.150 nan 0.000 0.446 1174 A N -0.389 122.426 122.820 -0.009 0.000 1.873 1174 A HA -0.102 4.253 4.320 0.058 0.000 0.215 1174 A C 2.186 179.761 177.584 -0.015 0.000 1.186 1174 A CA 1.930 53.961 52.037 -0.009 0.000 0.616 1174 A CB -0.399 18.597 19.000 -0.008 0.000 0.823 1174 A HN 0.439 nan 8.150 nan 0.000 0.442 1175 R N -0.253 120.235 120.500 -0.021 0.000 2.148 1175 R HA 0.094 4.469 4.340 0.058 0.000 0.227 1175 R C 1.774 178.046 176.300 -0.046 0.000 1.103 1175 R CA 1.015 57.096 56.100 -0.030 0.000 0.983 1175 R CB -0.719 29.563 30.300 -0.031 0.000 0.874 1175 R HN 0.521 nan 8.270 nan 0.000 0.451 1176 L N 0.230 121.424 121.223 -0.048 0.000 2.056 1176 L HA -0.146 4.229 4.340 0.058 0.000 0.207 1176 L C 2.538 179.384 176.870 -0.039 0.000 1.078 1176 L CA 1.415 56.215 54.840 -0.066 0.000 0.749 1176 L CB -0.426 41.606 42.059 -0.045 0.000 0.901 1176 L HN 0.158 nan 8.230 nan 0.000 0.433 1177 K N 0.142 120.531 120.400 -0.017 0.000 2.026 1177 K HA -0.198 4.157 4.320 0.058 0.000 0.208 1177 K C 1.639 178.232 176.600 -0.013 0.000 1.048 1177 K CA 1.832 58.116 56.287 -0.006 0.000 0.929 1177 K CB -0.157 32.342 32.500 -0.001 0.000 0.713 1177 K HN 0.278 nan 8.250 nan 0.000 0.439 1178 D N 0.531 120.920 120.400 -0.019 0.000 2.117 1178 D HA -0.152 4.523 4.640 0.058 0.000 0.197 1178 D C 1.626 177.912 176.300 -0.024 0.000 0.987 1178 D CA 1.204 55.193 54.000 -0.019 0.000 0.829 1178 D CB -0.177 40.611 40.800 -0.020 0.000 0.961 1178 D HN 0.241 nan 8.370 nan 0.000 0.460 1179 M N -0.391 119.187 119.600 -0.036 0.000 2.740 1179 M HA 0.116 4.631 4.480 0.058 0.000 0.230 1179 M C 1.158 177.437 176.300 -0.035 0.000 1.100 1179 M CA 0.556 55.830 55.300 -0.044 0.000 1.047 1179 M CB 0.115 32.671 32.600 -0.072 0.000 1.652 1179 M HN 0.156 nan 8.290 nan 0.000 0.528 1180 G N 0.067 108.855 108.800 -0.020 0.000 2.184 1180 G HA2 -0.222 3.773 3.960 0.058 0.000 0.264 1180 G HA3 -0.222 3.773 3.960 0.058 0.000 0.264 1180 G C 0.108 175.015 174.900 0.011 0.000 0.975 1180 G CA -0.373 44.724 45.100 -0.004 0.000 0.642 1180 G HN 0.327 nan 8.290 nan 0.000 0.536 1181 L N 1.029 122.254 121.223 0.003 0.000 2.426 1181 L HA 0.331 4.705 4.340 0.058 0.000 0.271 1181 L C 0.994 177.916 176.870 0.087 0.000 1.169 1181 L CA 0.095 54.963 54.840 0.046 0.000 0.836 1181 L CB 0.942 42.977 42.059 -0.040 0.000 1.112 1181 L HN 0.528 nan 8.230 nan 0.000 0.465 1182 E N 2.190 122.477 120.200 0.145 0.000 2.257 1182 E HA 0.325 4.710 4.350 0.058 0.000 0.278 1182 E C -0.277 176.406 176.600 0.138 0.000 1.049 1182 E CA -0.639 55.830 56.400 0.115 0.000 0.876 1182 E CB 0.935 30.694 29.700 0.099 0.000 1.035 1182 E HN 0.680 nan 8.360 nan 0.000 0.419 1183 A N 3.962 126.834 122.820 0.086 0.000 2.520 1183 A HA 0.394 4.749 4.320 0.058 0.000 0.245 1183 A C 0.547 178.172 177.584 0.068 0.000 1.072 1183 A CA 0.440 52.523 52.037 0.076 0.000 0.761 1183 A CB 0.495 19.519 19.000 0.040 0.000 1.004 1183 A HN 0.733 nan 8.150 nan 0.000 0.499 1184 G N 0.954 109.796 108.800 0.070 0.000 2.491 1184 G HA2 0.451 4.446 3.960 0.058 0.000 0.327 1184 G HA3 0.451 4.446 3.960 0.058 0.000 0.327 1184 G C 0.892 175.795 174.900 0.004 0.000 1.189 1184 G CA -0.688 44.432 45.100 0.033 0.000 0.956 1184 G HN 0.537 nan 8.290 nan 0.000 0.491 1185 M N 0.379 119.973 119.600 -0.009 0.000 2.108 1185 M HA 0.085 4.600 4.480 0.058 0.000 0.261 1185 M C 1.596 177.873 176.300 -0.039 0.000 1.066 1185 M CA 1.584 56.874 55.300 -0.016 0.000 1.107 1185 M CB -1.901 30.699 32.600 -0.000 0.000 1.356 1185 M HN 1.260 nan 8.290 nan 0.000 0.406 1186 G N -0.449 108.313 108.800 -0.063 0.000 2.728 1186 G HA2 0.169 4.163 3.960 0.058 0.000 0.294 1186 G HA3 0.169 4.163 3.960 0.058 0.000 0.294 1186 G C -0.919 173.893 174.900 -0.146 0.000 1.342 1186 G CA -0.256 44.766 45.100 -0.130 0.000 0.866 1186 G HN 0.994 nan 8.290 nan 0.000 0.534 1187 A N -1.111 121.560 122.820 -0.249 0.000 2.609 1187 A HA 1.010 5.365 4.320 0.058 0.000 0.291 1187 A C -0.252 177.270 177.584 -0.105 0.000 1.096 1187 A CA 0.607 52.527 52.037 -0.195 0.000 0.684 1187 A CB 1.579 20.448 19.000 -0.219 0.000 1.282 1187 A HN 2.138 nan 8.150 nan 0.000 0.412 1188 S N -0.054 115.683 115.700 0.062 0.000 2.548 1188 S HA 0.679 5.184 4.470 0.058 0.000 0.276 1188 S C -1.149 173.695 174.600 0.406 0.000 1.129 1188 S CA -0.290 58.055 58.200 0.243 0.000 0.931 1188 S CB 1.501 64.665 63.200 -0.060 0.000 1.068 1188 S HN 0.973 nan 8.310 nan 0.000 0.480 1189 I N 2.202 123.068 120.570 0.494 0.000 2.498 1189 I HA 0.666 4.871 4.170 0.058 0.000 0.290 1189 I C -0.640 175.717 176.117 0.400 0.000 1.032 1189 I CA 0.122 61.618 61.300 0.326 0.000 1.073 1189 I CB 1.927 39.926 38.000 -0.001 0.000 1.251 1189 I HN 0.617 nan 8.210 nan 0.000 0.426 1190 T N 6.022 120.667 114.554 0.152 0.000 2.907 1190 T HA 0.767 5.152 4.350 0.058 0.000 0.292 1190 T C -1.652 172.992 174.700 -0.093 0.000 1.043 1190 T CA -0.362 61.625 62.100 -0.189 0.000 1.003 1190 T CB 1.005 69.320 68.868 -0.922 0.000 1.084 1190 T HN 0.699 nan 8.240 nan 0.000 0.483 1191 W N 1.987 123.013 121.300 -0.458 0.000 3.005 1191 W HA 0.748 5.443 4.660 0.058 0.000 0.343 1191 W C -2.430 173.823 176.519 -0.443 0.000 1.243 1191 W CA -1.618 55.447 57.345 -0.466 0.000 1.186 1191 W CB 0.334 29.629 29.460 -0.275 0.000 1.453 1191 W HN 0.676 nan 8.180 nan 0.000 0.575 1192 W N 2.684 124.054 121.300 0.116 0.000 2.438 1192 W HA 0.650 5.345 4.660 0.058 0.000 0.324 1192 W C 0.404 177.070 176.519 0.244 0.000 1.119 1192 W CA -0.996 56.396 57.345 0.078 0.000 1.221 1192 W CB 1.365 30.805 29.460 -0.034 0.000 1.253 1192 W HN 0.265 nan 8.180 nan 0.000 0.555 1193 R N 3.460 124.245 120.500 0.476 0.000 2.575 1193 R HA 0.403 4.778 4.340 0.058 0.000 0.293 1193 R C -0.527 175.889 176.300 0.194 0.000 0.983 1193 R CA -1.111 55.187 56.100 0.331 0.000 0.887 1193 R CB 1.470 31.895 30.300 0.208 0.000 1.184 1193 R HN 0.700 nan 8.270 nan 0.000 0.445 1194 R N 2.442 122.936 120.500 -0.011 0.000 2.570 1194 R HA -0.009 4.366 4.340 0.058 0.000 0.277 1194 R C -0.048 176.083 176.300 -0.282 0.000 1.039 1194 R CA 0.654 56.461 56.100 -0.488 0.000 1.065 1194 R CB 0.596 30.701 30.300 -0.325 0.000 0.964 1194 R HN 0.607 nan 8.270 nan 0.000 0.428 1195 E N 1.673 121.657 120.200 -0.360 0.000 2.989 1195 E HA 0.321 4.705 4.350 0.058 0.000 0.182 1195 E C -0.004 176.492 176.600 -0.174 0.000 0.730 1195 E CA -0.635 55.654 56.400 -0.185 0.000 1.204 1195 E CB -0.294 29.332 29.700 -0.123 0.000 1.863 1195 E HN 0.688 nan 8.360 nan 0.000 0.366 1196 G N -0.934 107.795 108.800 -0.118 0.000 2.562 1196 G HA2 0.417 4.412 3.960 0.058 0.000 0.275 1196 G HA3 0.417 4.412 3.960 0.058 0.000 0.275 1196 G C 0.634 175.478 174.900 -0.094 0.000 1.196 1196 G CA 0.296 45.344 45.100 -0.087 0.000 0.908 1196 G HN 0.507 nan 8.290 nan 0.000 0.524 1197 G N 0.340 109.101 108.800 -0.064 0.000 2.672 1197 G HA2 -0.278 3.717 3.960 0.058 0.000 0.324 1197 G HA3 -0.278 3.717 3.960 0.058 0.000 0.324 1197 G C 0.814 175.673 174.900 -0.067 0.000 1.286 1197 G CA 1.210 46.281 45.100 -0.048 0.000 1.004 1197 G HN 0.828 nan 8.290 nan 0.000 0.548 1198 M N 1.818 121.394 119.600 -0.041 0.000 2.475 1198 M HA 0.388 4.903 4.480 0.058 0.000 0.283 1198 M C 0.683 176.978 176.300 -0.009 0.000 1.165 1198 M CA -0.176 55.119 55.300 -0.008 0.000 0.976 1198 M CB 0.246 32.873 32.600 0.046 0.000 1.428 1198 M HN 0.521 nan 8.290 nan 0.000 0.495 1199 E N -0.384 119.752 120.200 -0.107 0.000 2.366 1199 E HA 0.310 4.695 4.350 0.058 0.000 0.266 1199 E C -1.221 175.234 176.600 -0.241 0.000 1.051 1199 E CA 0.064 56.420 56.400 -0.073 0.000 0.884 1199 E CB 0.871 30.531 29.700 -0.067 0.000 1.006 1199 E HN 0.125 nan 8.360 nan 0.000 0.417 1200 F N 1.000 120.928 119.950 -0.036 0.000 2.561 1200 F HA 0.183 4.746 4.527 0.058 0.000 0.313 1200 F C 0.243 176.095 175.800 0.088 0.000 1.126 1200 F CA -0.671 57.333 58.000 0.007 0.000 0.918 1200 F CB 1.996 40.940 39.000 -0.093 0.000 1.199 1200 F HN 0.346 nan 8.300 nan 0.000 0.444 1201 S N 1.949 117.808 115.700 0.266 0.000 2.690 1201 S HA 0.520 5.025 4.470 0.058 0.000 0.291 1201 S C -0.932 173.808 174.600 0.235 0.000 1.138 1201 S CA -0.699 57.596 58.200 0.159 0.000 1.013 1201 S CB 1.134 64.314 63.200 -0.033 0.000 1.053 1201 S HN 0.742 nan 8.310 nan 0.000 0.539 1202 H N 0.875 119.969 119.070 0.039 0.000 2.459 1202 H HA 0.541 5.132 4.556 0.058 0.000 0.332 1202 H C -1.015 174.038 175.328 -0.458 0.000 1.094 1202 H CA -0.892 54.962 56.048 -0.323 0.000 1.224 1202 H CB 0.805 30.245 29.762 -0.537 0.000 1.449 1202 H HN 0.527 nan 8.280 nan 0.000 0.484 1203 Q N 3.801 123.158 119.800 -0.739 0.000 2.301 1203 Q HA 0.415 4.790 4.340 0.058 0.000 0.267 1203 Q C 0.315 175.668 176.000 -1.079 0.000 1.035 1203 Q CA -1.013 54.212 55.803 -0.962 0.000 0.856 1203 Q CB 2.876 30.765 28.738 -1.415 0.000 1.337 1203 Q HN 0.821 nan 8.270 nan 0.000 0.450 1204 M N 0.357 119.606 119.600 -0.585 0.000 2.569 1204 M HA 0.627 5.142 4.480 0.058 0.000 0.279 1204 M C -1.845 174.605 176.300 0.250 0.000 1.253 1204 M CA -0.667 54.526 55.300 -0.178 0.000 0.867 1204 M CB 2.055 34.668 32.600 0.022 0.000 1.727 1204 M HN 0.660 nan 8.290 nan 0.000 0.467 1205 H N -0.360 118.924 119.070 0.356 0.000 2.974 1205 H HA 0.791 5.382 4.556 0.058 0.000 0.366 1205 H C -1.941 173.687 175.328 0.500 0.000 1.155 1205 H CA 0.178 56.517 56.048 0.485 0.000 1.186 1205 H CB 1.979 32.122 29.762 0.636 0.000 1.799 1205 H HN 1.051 nan 8.280 nan 0.000 0.541 1206 T N 2.586 117.064 114.554 -0.126 0.000 2.906 1206 T HA 0.567 4.952 4.350 0.058 0.000 0.295 1206 T C -1.291 173.260 174.700 -0.248 0.000 1.061 1206 T CA -0.419 61.637 62.100 -0.073 0.000 1.000 1206 T CB 1.408 70.265 68.868 -0.019 0.000 1.103 1206 T HN 0.649 nan 8.240 nan 0.000 0.486 1207 T N 1.684 116.070 114.554 -0.280 0.000 2.912 1207 T HA 0.718 5.103 4.350 0.058 0.000 0.299 1207 T C -0.375 174.165 174.700 -0.267 0.000 1.052 1207 T CA -0.251 61.654 62.100 -0.324 0.000 0.996 1207 T CB 1.035 69.512 68.868 -0.652 0.000 1.070 1207 T HN 0.944 nan 8.240 nan 0.000 0.465 1208 A N 2.992 125.723 122.820 -0.149 0.000 2.386 1208 A HA 0.700 5.055 4.320 0.058 0.000 0.248 1208 A C 0.559 178.086 177.584 -0.095 0.000 1.082 1208 A CA 0.005 51.986 52.037 -0.095 0.000 0.789 1208 A CB -0.017 18.961 19.000 -0.037 0.000 1.025 1208 A HN 1.320 nan 8.150 nan 0.000 0.490 1209 S N -0.016 115.667 115.700 -0.029 0.000 2.661 1209 S HA 0.873 5.378 4.470 0.058 0.000 0.285 1209 S C -0.604 174.123 174.600 0.212 0.000 1.138 1209 S CA -0.531 57.698 58.200 0.047 0.000 0.855 1209 S CB 1.270 64.423 63.200 -0.078 0.000 1.136 1209 S HN 1.577 nan 8.310 nan 0.000 0.484 1210 F N -0.663 119.304 119.950 0.029 0.000 2.588 1210 F HA 0.792 5.354 4.527 0.058 0.000 0.314 1210 F C -0.582 175.305 175.800 0.145 0.000 1.069 1210 F CA -1.078 56.961 58.000 0.064 0.000 0.931 1210 F CB 1.513 40.542 39.000 0.047 0.000 1.260 1210 F HN 0.579 nan 8.300 nan 0.000 0.465 1211 K N 2.462 122.924 120.400 0.102 0.000 2.123 1211 K HA 0.554 4.909 4.320 0.058 0.000 0.259 1211 K C -2.051 174.650 176.600 0.168 0.000 0.960 1211 K CA -0.474 55.854 56.287 0.068 0.000 0.872 1211 K CB 1.875 34.413 32.500 0.065 0.000 1.079 1211 K HN 0.864 nan 8.250 nan 0.000 0.440 1212 F N -0.352 119.587 119.950 -0.018 0.000 2.754 1212 F HA 0.367 4.929 4.527 0.058 0.000 0.320 1212 F C -0.616 175.202 175.800 0.030 0.000 1.156 1212 F CA -0.903 57.097 58.000 0.001 0.000 0.950 1212 F CB 1.350 40.329 39.000 -0.034 0.000 1.388 1212 F HN 0.570 nan 8.300 nan 0.000 0.485 1213 A N 1.831 124.525 122.820 -0.210 0.000 2.522 1213 A HA 0.338 4.693 4.320 0.058 0.000 0.285 1213 A C 1.229 178.842 177.584 0.048 0.000 1.222 1213 A CA 1.419 53.394 52.037 -0.104 0.000 0.931 1213 A CB -1.729 17.200 19.000 -0.119 0.000 1.003 1213 A HN 1.922 nan 8.150 nan 0.000 0.560 1214 G N 2.147 110.951 108.800 0.006 0.000 2.507 1214 G HA2 -0.320 3.675 3.960 0.058 0.000 0.240 1214 G HA3 -0.320 3.675 3.960 0.058 0.000 0.240 1214 G C 0.484 175.382 174.900 -0.003 0.000 1.119 1214 G CA 1.139 46.239 45.100 -0.001 0.000 0.664 1214 G HN 0.825 nan 8.290 nan 0.000 0.516 1215 K N 0.727 121.157 120.400 0.051 0.000 2.156 1215 K HA 0.635 4.990 4.320 0.058 0.000 0.250 1215 K C -0.507 176.079 176.600 -0.023 0.000 0.955 1215 K CA -0.588 55.681 56.287 -0.030 0.000 0.855 1215 K CB 2.080 34.537 32.500 -0.072 0.000 1.101 1215 K HN 0.260 nan 8.250 nan 0.000 0.434 1216 E N 1.575 121.652 120.200 -0.205 0.000 2.183 1216 E HA 0.339 4.724 4.350 0.058 0.000 0.271 1216 E C -1.484 174.878 176.600 -0.397 0.000 0.919 1216 E CA -0.615 55.678 56.400 -0.179 0.000 0.781 1216 E CB 0.865 30.486 29.700 -0.130 0.000 1.140 1216 E HN 0.278 nan 8.360 nan 0.000 0.402 1217 F N 1.820 121.535 119.950 -0.391 0.000 2.482 1217 F HA 0.529 5.091 4.527 0.058 0.000 0.331 1217 F C 0.231 175.880 175.800 -0.252 0.000 1.115 1217 F CA -0.791 56.960 58.000 -0.415 0.000 0.955 1217 F CB 1.937 40.469 39.000 -0.780 0.000 1.136 1217 F HN 0.444 nan 8.300 nan 0.000 0.452 1218 A N 2.831 125.642 122.820 -0.015 0.000 2.309 1218 A HA 0.702 5.057 4.320 0.058 0.000 0.298 1218 A C -0.897 176.711 177.584 0.040 0.000 1.165 1218 A CA -0.536 51.418 52.037 -0.138 0.000 0.821 1218 A CB 0.667 19.337 19.000 -0.550 0.000 1.102 1218 A HN 0.553 nan 8.150 nan 0.000 0.500 1219 V N 3.544 123.477 119.914 0.032 0.000 2.284 1219 V HA 0.252 4.407 4.120 0.058 0.000 0.274 1219 V C -0.683 175.423 176.094 0.020 0.000 1.023 1219 V CA -0.364 61.975 62.300 0.065 0.000 0.808 1219 V CB 1.055 32.919 31.823 0.068 0.000 1.035 1219 V HN 0.885 nan 8.190 nan 0.000 0.445 1220 D N 4.172 124.616 120.400 0.074 0.000 2.460 1220 D HA 0.450 5.125 4.640 0.058 0.000 0.268 1220 D C 0.868 177.307 176.300 0.232 0.000 1.153 1220 D CA -0.301 53.812 54.000 0.188 0.000 0.929 1220 D CB 1.616 42.672 40.800 0.426 0.000 1.015 1220 D HN 0.526 nan 8.370 nan 0.000 0.502 1221 A N 1.958 124.880 122.820 0.171 0.000 2.252 1221 A HA 0.049 4.403 4.320 0.058 0.000 0.207 1221 A C 1.454 179.150 177.584 0.187 0.000 1.194 1221 A CA 0.617 52.752 52.037 0.164 0.000 0.809 1221 A CB -0.116 18.936 19.000 0.087 0.000 0.814 1221 A HN 0.394 nan 8.150 nan 0.000 0.482 1222 S N -1.567 114.287 115.700 0.257 0.000 2.603 1222 S HA 0.053 4.558 4.470 0.058 0.000 0.232 1222 S C 1.281 175.975 174.600 0.157 0.000 1.016 1222 S CA 0.343 58.657 58.200 0.190 0.000 0.976 1222 S CB -0.928 62.403 63.200 0.219 0.000 0.921 1222 S HN 0.868 nan 8.310 nan 0.000 0.516 1223 H N 1.023 120.189 119.070 0.160 0.000 2.422 1223 H HA 0.098 4.689 4.556 0.058 0.000 0.298 1223 H C 1.649 176.953 175.328 -0.040 0.000 1.098 1223 H CA 1.123 57.256 56.048 0.141 0.000 1.315 1223 H CB -0.392 29.523 29.762 0.255 0.000 1.382 1223 H HN 0.284 nan 8.280 nan 0.000 0.523 1224 L N 1.825 122.601 121.223 -0.746 0.000 2.549 1224 L HA -0.165 4.210 4.340 0.058 0.000 0.230 1224 L C 2.449 179.040 176.870 -0.465 0.000 1.162 1224 L CA 1.525 55.874 54.840 -0.818 0.000 0.834 1224 L CB -0.902 40.732 42.059 -0.708 0.000 0.947 1224 L HN 0.715 nan 8.230 nan 0.000 0.452 1225 Q N -1.909 117.620 119.800 -0.451 0.000 2.297 1225 Q HA -0.111 4.264 4.340 0.058 0.000 0.204 1225 Q C 0.054 175.809 176.000 -0.409 0.000 0.962 1225 Q CA 0.688 56.218 55.803 -0.455 0.000 0.879 1225 Q CB -0.208 28.172 28.738 -0.596 0.000 0.947 1225 Q HN 0.264 nan 8.270 nan 0.000 0.462 1226 F N 1.091 121.038 119.950 -0.005 0.000 2.403 1226 F HA 0.343 4.905 4.527 0.058 0.000 0.326 1226 F C 0.364 176.272 175.800 0.180 0.000 1.081 1226 F CA -1.851 56.187 58.000 0.063 0.000 1.041 1226 F CB 0.696 39.706 39.000 0.016 0.000 1.234 1226 F HN -0.300 nan 8.300 nan 0.000 0.503 1227 V N 1.880 122.008 119.914 0.356 0.000 2.720 1227 V HA 0.068 4.223 4.120 0.058 0.000 0.307 1227 V C -0.270 175.976 176.094 0.254 0.000 1.071 1227 V CA 0.471 62.874 62.300 0.173 0.000 1.199 1227 V CB -0.932 30.948 31.823 0.095 0.000 0.900 1227 V HN 0.943 nan 8.190 nan 0.000 0.494 1228 H N 0.696 119.705 119.070 -0.101 0.000 3.016 1228 H HA 0.519 5.110 4.556 0.058 0.000 0.362 1228 H C -0.657 174.557 175.328 -0.189 0.000 1.233 1228 H CA -1.140 54.903 56.048 -0.010 0.000 1.124 1228 H CB 1.031 30.805 29.762 0.020 0.000 1.850 1228 H HN 0.529 nan 8.280 nan 0.000 0.549 1229 D N 0.590 121.028 120.400 0.064 0.000 2.443 1229 D HA -0.098 4.577 4.640 0.058 0.000 0.239 1229 D C 0.549 176.884 176.300 0.060 0.000 1.136 1229 D CA 0.144 54.153 54.000 0.014 0.000 0.879 1229 D CB 1.149 42.038 40.800 0.147 0.000 1.195 1229 D HN 0.614 nan 8.370 nan 0.000 0.443 1230 Q N 2.774 122.564 119.800 -0.017 0.000 2.436 1230 Q HA -0.029 4.346 4.340 0.058 0.000 0.209 1230 Q C 1.223 177.270 176.000 0.079 0.000 0.965 1230 Q CA 0.455 56.275 55.803 0.028 0.000 0.910 1230 Q CB 0.327 29.047 28.738 -0.029 0.000 0.980 1230 Q HN 0.594 nan 8.270 nan 0.000 0.491 1231 L N 0.685 121.958 121.223 0.083 0.000 2.425 1231 L HA 0.027 4.402 4.340 0.058 0.000 0.215 1231 L C 0.617 177.545 176.870 0.097 0.000 1.065 1231 L CA 0.347 55.233 54.840 0.077 0.000 0.842 1231 L CB -0.423 41.672 42.059 0.059 0.000 1.033 1231 L HN 0.220 nan 8.230 nan 0.000 0.474 1232 D N 0.877 121.355 120.400 0.131 0.000 2.390 1232 D HA -0.044 4.631 4.640 0.058 0.000 0.236 1232 D C 0.485 176.874 176.300 0.148 0.000 1.189 1232 D CA -0.032 54.055 54.000 0.145 0.000 0.887 1232 D CB 0.311 41.227 40.800 0.193 0.000 1.198 1232 D HN 0.073 nan 8.370 nan 0.000 0.444 1233 T N -2.311 112.323 114.554 0.133 0.000 2.748 1233 T HA 0.102 4.487 4.350 0.058 0.000 0.304 1233 T C 1.225 176.044 174.700 0.199 0.000 1.041 1233 T CA 0.088 62.260 62.100 0.120 0.000 1.033 1233 T CB 0.642 69.556 68.868 0.077 0.000 0.995 1233 T HN 0.585 nan 8.240 nan 0.000 0.536 1234 T N -0.474 114.171 114.554 0.152 0.000 2.942 1234 T HA 0.151 4.536 4.350 0.058 0.000 0.265 1234 T C 0.632 175.493 174.700 0.268 0.000 1.062 1234 T CA 0.320 62.527 62.100 0.178 0.000 1.139 1234 T CB -0.585 68.328 68.868 0.076 0.000 0.883 1234 T HN 0.547 nan 8.240 nan 0.000 0.468 1235 I N 2.387 123.040 120.570 0.138 0.000 2.362 1235 I HA 0.417 4.622 4.170 0.058 0.000 0.289 1235 I C -0.930 175.156 176.117 -0.052 0.000 0.994 1235 I CA -1.062 60.280 61.300 0.070 0.000 1.158 1235 I CB 1.877 39.905 38.000 0.048 0.000 1.315 1235 I HN 0.065 nan 8.210 nan 0.000 0.451 1236 L N 8.542 129.646 121.223 -0.198 0.000 2.260 1236 L HA 0.480 4.855 4.340 0.058 0.000 0.289 1236 L C -0.642 176.241 176.870 0.021 0.000 1.057 1236 L CA 0.066 54.769 54.840 -0.229 0.000 0.811 1236 L CB 0.338 42.110 42.059 -0.478 0.000 1.184 1236 L HN 0.356 nan 8.230 nan 0.000 0.429 1237 I N 7.065 127.675 120.570 0.066 0.000 2.411 1237 I HA 0.444 4.649 4.170 0.058 0.000 0.284 1237 I C -0.615 175.613 176.117 0.186 0.000 1.012 1237 I CA -0.364 61.026 61.300 0.151 0.000 1.119 1237 I CB 1.065 39.160 38.000 0.159 0.000 1.261 1237 I HN 0.545 nan 8.210 nan 0.000 0.448 1238 L N 7.397 128.747 121.223 0.211 0.000 2.491 1238 L HA 0.654 5.029 4.340 0.058 0.000 0.254 1238 L C -2.473 174.429 176.870 0.054 0.000 1.048 1238 L CA -1.427 53.522 54.840 0.180 0.000 0.855 1238 L CB 2.546 44.701 42.059 0.161 0.000 1.466 1238 L HN 0.284 nan 8.230 nan 0.000 0.409 1239 P HA 0.064 nan 4.420 nan 0.000 0.272 1239 P C 0.914 178.120 177.300 -0.157 0.000 1.223 1239 P CA -0.142 62.643 63.100 -0.526 0.000 0.784 1239 P CB 0.864 32.206 31.700 -0.597 0.000 0.923 1240 V N 2.105 121.922 119.914 -0.163 0.000 2.250 1240 V HA -0.297 3.858 4.120 0.058 0.000 0.250 1240 V C 1.850 178.079 176.094 0.225 0.000 1.060 1240 V CA 2.541 64.873 62.300 0.053 0.000 1.030 1240 V CB -1.275 30.579 31.823 0.052 0.000 0.643 1240 V HN 0.528 nan 8.190 nan 0.000 0.445 1241 D N -0.506 119.965 120.400 0.118 0.000 2.144 1241 D HA -0.130 4.545 4.640 0.058 0.000 0.200 1241 D C 1.915 178.260 176.300 0.075 0.000 0.978 1241 D CA 1.191 55.266 54.000 0.124 0.000 0.833 1241 D CB -0.295 40.540 40.800 0.058 0.000 0.961 1241 D HN 0.441 nan 8.370 nan 0.000 0.470 1242 D N -0.833 119.598 120.400 0.052 0.000 2.123 1242 D HA -0.107 4.568 4.640 0.058 0.000 0.200 1242 D C 1.698 178.040 176.300 0.070 0.000 0.976 1242 D CA 0.416 54.438 54.000 0.038 0.000 0.831 1242 D CB -0.455 40.358 40.800 0.023 0.000 0.974 1242 D HN 0.318 nan 8.370 nan 0.000 0.469 1243 W N 2.197 123.468 121.300 -0.048 0.000 2.318 1243 W HA -0.235 4.460 4.660 0.058 0.000 0.313 1243 W C 2.299 178.790 176.519 -0.047 0.000 1.221 1243 W CA 2.651 59.981 57.345 -0.025 0.000 1.266 1243 W CB -0.369 29.091 29.460 -0.000 0.000 1.150 1243 W HN -0.039 nan 8.180 nan 0.000 0.496 1244 A N 0.572 123.381 122.820 -0.019 0.000 1.877 1244 A HA -0.224 4.131 4.320 0.058 0.000 0.216 1244 A C 2.120 179.435 177.584 -0.448 0.000 1.186 1244 A CA 1.861 53.695 52.037 -0.339 0.000 0.620 1244 A CB -1.316 17.651 19.000 -0.055 0.000 0.822 1244 A HN 0.544 nan 8.150 nan 0.000 0.443 1245 L N -0.505 120.552 121.223 -0.276 0.000 2.012 1245 L HA -0.212 4.163 4.340 0.058 0.000 0.210 1245 L C 2.543 179.229 176.870 -0.307 0.000 1.073 1245 L CA 2.438 57.113 54.840 -0.275 0.000 0.748 1245 L CB -0.326 41.674 42.059 -0.098 0.000 0.891 1245 L HN 0.623 nan 8.230 nan 0.000 0.431 1246 E N -0.224 119.814 120.200 -0.270 0.000 2.110 1246 E HA -0.235 4.150 4.350 0.058 0.000 0.193 1246 E C 2.160 178.529 176.600 -0.385 0.000 0.988 1246 E CA 1.266 57.512 56.400 -0.256 0.000 0.804 1246 E CB 0.050 29.659 29.700 -0.152 0.000 0.745 1246 E HN 0.516 nan 8.360 nan 0.000 0.458 1247 I N 1.080 121.301 120.570 -0.581 0.000 2.252 1247 I HA -0.191 4.014 4.170 0.058 0.000 0.245 1247 I C 2.574 178.178 176.117 -0.854 0.000 1.102 1247 I CA 1.168 62.029 61.300 -0.732 0.000 1.385 1247 I CB -1.476 35.959 38.000 -0.942 0.000 1.064 1247 I HN 0.114 nan 8.210 nan 0.000 0.414 1248 A N 0.307 122.631 122.820 -0.827 0.000 1.902 1248 A HA -0.228 4.127 4.320 0.058 0.000 0.217 1248 A C 2.262 179.490 177.584 -0.593 0.000 1.181 1248 A CA 1.411 52.919 52.037 -0.881 0.000 0.623 1248 A CB -0.558 17.872 19.000 -0.950 0.000 0.818 1248 A HN 0.505 nan 8.150 nan 0.000 0.443 1249 Q N -0.882 118.676 119.800 -0.403 0.000 2.046 1249 Q HA -0.119 4.256 4.340 0.058 0.000 0.200 1249 Q C 2.361 178.174 176.000 -0.312 0.000 0.975 1249 Q CA 1.373 57.030 55.803 -0.244 0.000 0.836 1249 Q CB -0.169 28.462 28.738 -0.179 0.000 0.896 1249 Q HN 0.613 nan 8.270 nan 0.000 0.428 1250 R N 0.552 120.840 120.500 -0.355 0.000 2.120 1250 R HA -0.039 4.336 4.340 0.058 0.000 0.234 1250 R C 1.427 177.625 176.300 -0.170 0.000 1.123 1250 R CA 0.969 56.912 56.100 -0.261 0.000 0.975 1250 R CB -0.013 30.233 30.300 -0.090 0.000 0.866 1250 R HN 0.261 nan 8.270 nan 0.000 0.446 1251 N N 0.807 119.274 118.700 -0.388 0.000 2.322 1251 N HA 0.042 4.817 4.740 0.058 0.000 0.194 1251 N C -0.513 174.819 175.510 -0.297 0.000 1.126 1251 N CA 0.026 52.845 53.050 -0.385 0.000 0.845 1251 N CB 0.457 38.443 38.487 -0.835 0.000 0.976 1251 N HN 0.071 nan 8.380 nan 0.000 0.475 1252 R N 0.470 120.823 120.500 -0.245 0.000 3.251 1252 R HA -0.178 4.196 4.340 0.058 0.000 0.249 1252 R C -0.137 176.069 176.300 -0.157 0.000 0.949 1252 R CA 0.295 56.315 56.100 -0.134 0.000 0.645 1252 R CB -1.941 28.338 30.300 -0.035 0.000 1.065 1252 R HN 0.200 nan 8.270 nan 0.000 0.452 1253 A N 0.867 123.474 122.820 -0.355 0.000 2.462 1253 A HA 0.358 4.713 4.320 0.058 0.000 0.243 1253 A C 0.574 178.139 177.584 -0.031 0.000 1.076 1253 A CA 0.051 51.831 52.037 -0.428 0.000 0.773 1253 A CB 0.314 18.794 19.000 -0.867 0.000 1.010 1253 A HN 0.396 nan 8.150 nan 0.000 0.493 1254 I N 2.491 123.133 120.570 0.120 0.000 2.339 1254 I HA 0.181 4.386 4.170 0.058 0.000 0.290 1254 I C -0.316 175.928 176.117 0.211 0.000 0.994 1254 I CA -0.424 60.932 61.300 0.093 0.000 1.191 1254 I CB 0.819 38.776 38.000 -0.072 0.000 1.343 1254 I HN 0.742 nan 8.210 nan 0.000 0.458 1255 N N 4.492 123.311 118.700 0.199 0.000 2.667 1255 N HA -0.131 4.644 4.740 0.058 0.000 0.263 1255 N C -2.563 173.004 175.510 0.095 0.000 1.038 1255 N CA 0.157 53.317 53.050 0.184 0.000 0.749 1255 N CB -1.264 37.336 38.487 0.188 0.000 0.892 1255 N HN 0.311 nan 8.380 nan 0.000 0.546 1256 P HA 0.234 nan 4.420 nan 0.000 0.271 1256 P C -0.336 176.964 177.300 -0.000 0.000 1.216 1256 P CA -0.079 62.975 63.100 -0.076 0.000 0.776 1256 P CB 0.437 31.919 31.700 -0.363 0.000 0.881 1257 F N 3.188 123.033 119.950 -0.175 0.000 2.507 1257 F HA 0.500 5.062 4.527 0.058 0.000 0.325 1257 F C -1.124 174.653 175.800 -0.037 0.000 1.116 1257 F CA -0.750 57.174 58.000 -0.126 0.000 0.930 1257 F CB 1.433 40.319 39.000 -0.190 0.000 1.146 1257 F HN -0.018 nan 8.300 nan 0.000 0.447 1258 V N 5.127 124.667 119.914 -0.624 0.000 2.487 1258 V HA 0.415 4.570 4.120 0.058 0.000 0.298 1258 V C -0.782 174.909 176.094 -0.672 0.000 1.028 1258 V CA -0.828 61.200 62.300 -0.454 0.000 0.860 1258 V CB 1.700 33.239 31.823 -0.473 0.000 0.991 1258 V HN 0.691 nan 8.190 nan 0.000 0.427 1259 E N 2.979 122.958 120.200 -0.367 0.000 2.171 1259 E HA 0.392 4.777 4.350 0.058 0.000 0.271 1259 E C -1.393 174.970 176.600 -0.395 0.000 0.916 1259 E CA -0.685 55.492 56.400 -0.372 0.000 0.774 1259 E CB 1.918 31.490 29.700 -0.213 0.000 1.128 1259 E HN 0.681 nan 8.360 nan 0.000 0.403 1260 Y N 1.817 122.075 120.300 -0.070 0.000 2.971 1260 Y HA 0.265 4.850 4.550 0.058 0.000 0.384 1260 Y C 0.017 175.866 175.900 -0.085 0.000 1.166 1260 Y CA -0.269 57.789 58.100 -0.070 0.000 1.973 1260 Y CB 0.171 38.593 38.460 -0.062 0.000 2.082 1260 Y HN 0.104 nan 8.280 nan 0.000 0.420 1261 V N 0.596 120.483 119.914 -0.045 0.000 2.891 1261 V HA 0.457 4.612 4.120 0.058 0.000 0.304 1261 V C -0.340 175.678 176.094 -0.127 0.000 1.171 1261 V CA -0.927 61.331 62.300 -0.070 0.000 0.943 1261 V CB 2.072 33.855 31.823 -0.067 0.000 1.037 1261 V HN 0.397 nan 8.190 nan 0.000 0.427 1262 S N 5.658 121.292 115.700 -0.111 0.000 2.579 1262 S HA 0.571 5.076 4.470 0.058 0.000 0.275 1262 S C -0.485 174.045 174.600 -0.116 0.000 1.345 1262 S CA -0.405 57.724 58.200 -0.119 0.000 1.031 1262 S CB 0.765 63.906 63.200 -0.099 0.000 0.892 1262 S HN 0.765 nan 8.310 nan 0.000 0.529 1263 K N 0.503 120.838 120.400 -0.109 0.000 2.427 1263 K HA 0.584 4.939 4.320 0.058 0.000 0.252 1263 K C -0.741 175.833 176.600 -0.044 0.000 0.931 1263 K CA -0.565 55.662 56.287 -0.099 0.000 0.793 1263 K CB 2.264 34.666 32.500 -0.163 0.000 1.211 1263 K HN 0.695 nan 8.250 nan 0.000 0.426 1264 T N 0.370 114.907 114.554 -0.029 0.000 2.924 1264 T HA 0.545 4.930 4.350 0.058 0.000 0.291 1264 T C 0.899 175.603 174.700 0.007 0.000 1.045 1264 T CA 0.614 62.711 62.100 -0.006 0.000 1.015 1264 T CB 1.279 70.143 68.868 -0.007 0.000 1.103 1264 T HN 0.769 nan 8.240 nan 0.000 0.496 1265 G N 3.637 112.447 108.800 0.017 0.000 2.690 1265 G HA2 -0.470 3.525 3.960 0.058 0.000 0.362 1265 G HA3 -0.470 3.525 3.960 0.058 0.000 0.362 1265 G C 1.138 176.056 174.900 0.029 0.000 1.132 1265 G CA 1.661 46.775 45.100 0.023 0.000 0.922 1265 G HN 0.877 nan 8.290 nan 0.000 0.595 1266 N N -0.980 117.734 118.700 0.023 0.000 2.080 1266 N HA -0.043 4.732 4.740 0.058 0.000 0.189 1266 N C 2.441 177.971 175.510 0.034 0.000 1.036 1266 N CA 1.755 54.822 53.050 0.028 0.000 0.846 1266 N CB -0.179 38.320 38.487 0.021 0.000 1.015 1266 N HN 0.407 nan 8.380 nan 0.000 0.423 1267 M N 0.480 120.091 119.600 0.019 0.000 2.279 1267 M HA -0.030 4.485 4.480 0.058 0.000 0.264 1267 M C 1.526 177.843 176.300 0.029 0.000 1.062 1267 M CA 0.921 56.228 55.300 0.011 0.000 1.099 1267 M CB -0.235 32.350 32.600 -0.024 0.000 1.394 1267 M HN 0.256 nan 8.290 nan 0.000 0.426 1268 L N -0.533 120.715 121.223 0.042 0.000 2.131 1268 L HA 0.173 4.548 4.340 0.058 0.000 0.206 1268 L C 2.174 179.130 176.870 0.143 0.000 1.087 1268 L CA 1.695 56.589 54.840 0.090 0.000 0.767 1268 L CB -1.136 40.964 42.059 0.067 0.000 0.917 1268 L HN 0.218 nan 8.230 nan 0.000 0.441 1269 A N 0.518 123.399 122.820 0.101 0.000 1.835 1269 A HA -0.161 4.194 4.320 0.058 0.000 0.215 1269 A C 1.913 179.568 177.584 0.119 0.000 1.199 1269 A CA 2.102 54.200 52.037 0.102 0.000 0.615 1269 A CB -1.259 17.785 19.000 0.073 0.000 0.838 1269 A HN 0.543 nan 8.150 nan 0.000 0.444 1270 L N -2.576 118.701 121.223 0.090 0.000 2.650 1270 L HA 0.295 4.670 4.340 0.058 0.000 0.235 1270 L C 0.627 177.505 176.870 0.012 0.000 1.149 1270 L CA 0.073 54.938 54.840 0.042 0.000 0.887 1270 L CB -1.046 41.033 42.059 0.034 0.000 1.021 1270 L HN 0.204 nan 8.230 nan 0.000 0.441 1271 F N 4.215 124.103 119.950 -0.103 0.000 2.471 1271 F HA 0.554 5.116 4.527 0.058 0.000 0.365 1271 F C 0.100 175.740 175.800 -0.266 0.000 1.095 1271 F CA -1.432 56.489 58.000 -0.131 0.000 1.174 1271 F CB 0.283 39.253 39.000 -0.050 0.000 1.105 1271 F HN 0.207 nan 8.300 nan 0.000 0.535 1272 M N 6.028 125.152 119.600 -0.793 0.000 2.618 1272 M HA 0.689 5.204 4.480 0.058 0.000 0.281 1272 M C -3.056 172.670 176.300 -0.958 0.000 1.267 1272 M CA -2.187 52.504 55.300 -1.016 0.000 0.845 1272 M CB 1.889 33.845 32.600 -1.074 0.000 1.732 1272 M HN 0.132 nan 8.290 nan 0.000 0.461 1273 P HA 0.358 nan 4.420 nan 0.000 0.272 1273 P C -2.620 174.351 177.300 -0.550 0.000 1.240 1273 P CA -0.659 61.963 63.100 -0.796 0.000 0.791 1273 P CB -0.647 30.538 31.700 -0.859 0.000 0.978 1274 P HA 0.066 nan 4.420 nan 0.000 0.265 1274 P C 0.927 178.142 177.300 -0.141 0.000 1.193 1274 P CA 0.311 63.204 63.100 -0.346 0.000 0.765 1274 P CB 0.183 31.660 31.700 -0.372 0.000 0.823 1275 L N 2.679 123.903 121.223 0.001 0.000 2.081 1275 L HA -0.226 4.149 4.340 0.058 0.000 0.212 1275 L C 2.193 179.050 176.870 -0.021 0.000 1.080 1275 L CA 1.700 56.578 54.840 0.065 0.000 0.754 1275 L CB -0.869 41.221 42.059 0.052 0.000 0.893 1275 L HN 0.455 nan 8.230 nan 0.000 0.433 1276 F N 0.353 120.273 119.950 -0.049 0.000 2.269 1276 F HA -0.159 4.403 4.527 0.058 0.000 0.301 1276 F C 2.502 178.202 175.800 -0.167 0.000 1.082 1276 F CA 1.256 59.193 58.000 -0.105 0.000 1.360 1276 F CB -1.465 37.493 39.000 -0.070 0.000 1.041 1276 F HN 0.053 nan 8.300 nan 0.000 0.512 1277 T N -1.606 112.409 114.554 -0.899 0.000 3.113 1277 T HA -0.099 4.286 4.350 0.058 0.000 0.263 1277 T C 0.865 175.307 174.700 -0.430 0.000 1.143 1277 T CA 0.037 61.770 62.100 -0.613 0.000 1.090 1277 T CB -0.638 67.969 68.868 -0.434 0.000 0.922 1277 T HN 0.404 nan 8.240 nan 0.000 0.521 1278 K N 3.060 123.062 120.400 -0.663 0.000 2.363 1278 K HA 0.216 4.571 4.320 0.058 0.000 0.289 1278 K C -2.623 173.400 176.600 -0.963 0.000 1.063 1278 K CA -2.010 53.400 56.287 -1.462 0.000 0.967 1278 K CB 0.266 31.905 32.500 -1.436 0.000 0.987 1278 K HN 0.128 nan 8.250 nan 0.000 0.473 1279 P HA 0.030 nan 4.420 nan 0.000 0.266 1279 P C -1.024 176.004 177.300 -0.454 0.000 1.195 1279 P CA 0.096 62.782 63.100 -0.690 0.000 0.768 1279 P CB 0.722 31.925 31.700 -0.828 0.000 0.838 1280 R N 1.937 122.308 120.500 -0.216 0.000 2.799 1280 R HA 0.495 4.870 4.340 0.058 0.000 0.270 1280 R C 0.316 176.591 176.300 -0.042 0.000 1.010 1280 R CA -0.774 55.265 56.100 -0.102 0.000 0.916 1280 R CB 1.221 31.448 30.300 -0.121 0.000 1.228 1280 R HN 0.291 nan 8.270 nan 0.000 0.469 1281 L N -0.690 120.526 121.223 -0.011 0.000 2.350 1281 L HA 0.287 4.662 4.340 0.058 0.000 0.209 1281 L C 0.703 177.560 176.870 -0.022 0.000 1.215 1281 L CA 0.856 55.691 54.840 -0.009 0.000 2.667 1281 L CB 0.158 42.221 42.059 0.007 0.000 2.466 1281 L HN 0.847 nan 8.230 nan 0.000 1.095 1282 T N -3.295 111.249 114.554 -0.016 0.000 3.434 1282 T HA 0.228 4.613 4.350 0.058 0.000 0.279 1282 T C 0.996 175.686 174.700 -0.016 0.000 0.955 1282 T CA -0.038 62.050 62.100 -0.021 0.000 1.048 1282 T CB 1.291 70.142 68.868 -0.028 0.000 1.186 1282 T HN 0.321 nan 8.240 nan 0.000 0.485 1283 R N -0.580 119.915 120.500 -0.009 0.000 1.621 1283 R HA 0.017 4.392 4.340 0.058 0.000 0.327 1283 R C -0.132 176.170 176.300 0.004 0.000 0.200 1283 R CA 0.707 56.805 56.100 -0.003 0.000 1.485 1283 R CB -0.924 29.372 30.300 -0.007 0.000 1.737 1283 R HN 0.305 nan 8.270 nan 0.000 0.194 1284 A N 1.748 124.570 122.820 0.003 0.000 2.911 1284 A HA 0.543 4.898 4.320 0.058 0.000 0.304 1284 A C 0.346 177.947 177.584 0.029 0.000 1.144 1284 A CA 0.296 52.344 52.037 0.019 0.000 0.988 1284 A CB -0.272 18.738 19.000 0.017 0.000 1.141 1284 A HN 0.533 nan 8.150 nan 0.000 0.552 1285 L N 0.000 121.236 121.223 0.022 0.000 2.949 1285 L HA 0.000 4.375 4.340 0.058 0.000 0.249 1285 L CA 0.000 54.855 54.840 0.024 0.000 0.813 1285 L CB 0.000 42.081 42.059 0.037 0.000 0.961 1285 L HN 0.000 nan 8.230 nan 0.000 0.502