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 3eub_1_U DATA FIRST_RESID 571 DATA SEQUENCE DTVGRPLPHL AAAMQASGEA VYCDDIPRYE NELFLRLVTS TRAHAKIKSI DATA SEQUENCE DVSEAQKVPG FVCFLSADDI PGSNETGLFN DETVFAKDTV TCVGHIIGAV DATA SEQUENCE VADTPEHAER AAHVVKVTYE DLPAIITIED AIKNNSFYGS ELKIEKGDLK DATA SEQUENCE KGFSEADNVV SGELYIGGQD HFYLETHCTI AIPKGEEGEM ELFVSTQNAM DATA SEQUENCE KTQSFVAKML GVPVNRILVR VKRMGGGFGG KETRSTLVSV AVALAAYKTG DATA SEQUENCE HPVRCMLDRN EDMLITGGRH PFLARYKVGF MKTGTIVALE VDHYSNAGNS DATA SEQUENCE RDLSHSIMER ALFHMDNCYK IPNIRGTGRL CKTNLSSNTA FRGFGGPQAL DATA SEQUENCE FIAENWMSEV AVTCGLPAEE VRWKNMYKEG DLTHFNQRLE GFSVPRCWDE DATA SEQUENCE CLKSSQYYAR KSEVDKFNKE NCWKKRGLCI IPTKFGISFT VPFLNQAGAL DATA SEQUENCE IHVYTDGSVL VSHGGTEMGQ GLHTKMVQVA SKALKIPISK IYISETSTNT DATA SEQUENCE VPNSSPTAAS VSTDIYGQAV YEACQTILKR LEPFKKKNPD GSWEDWVMAA DATA SEQUENCE YQDRVSLSTT GFYRTPNLGY SFETNSGNAF HYFTYGVACS EVEIDCLTGD DATA SEQUENCE HKNLRTDIVM DVGSSLNPAI DIGQVEGAFV QGLGLFTLEE LHYSPEGSLH DATA SEQUENCE TRGPSTYKIP AFGSIPTEFR VSLLRDCPNK KAIYASKAVG EPPLFLGASV DATA SEQUENCE FFAIKDAIRA ARAQHTNNNT KELFRLDSPA TPEKIRNACV DKFTT 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 571 D HA 0.000 nan 4.640 nan 0.000 0.175 571 D C 0.000 176.262 176.300 -0.063 0.000 2.045 571 D CA 0.000 53.961 54.000 -0.065 0.000 0.868 571 D CB 0.000 40.754 40.800 -0.077 0.000 0.688 572 T N -0.926 113.594 114.554 -0.057 0.000 3.069 572 T HA 0.217 4.568 4.350 0.002 0.000 0.252 572 T C 0.956 175.623 174.700 -0.055 0.000 1.053 572 T CA -0.032 62.041 62.100 -0.046 0.000 0.964 572 T CB 0.078 68.928 68.868 -0.031 0.000 1.005 572 T HN 0.116 nan 8.240 nan 0.000 0.532 573 V N 2.295 122.158 119.914 -0.084 0.000 2.617 573 V HA 0.405 4.526 4.120 0.002 0.000 0.304 573 V C 1.749 177.793 176.094 -0.083 0.000 1.040 573 V CA 1.367 63.610 62.300 -0.094 0.000 1.149 573 V CB -0.146 31.561 31.823 -0.192 0.000 0.914 573 V HN 0.869 nan 8.190 nan 0.000 0.487 574 G N 4.424 113.193 108.800 -0.052 0.000 2.179 574 G HA2 -0.236 3.725 3.960 0.002 0.000 0.260 574 G HA3 -0.236 3.725 3.960 0.002 0.000 0.260 574 G C 0.229 175.109 174.900 -0.033 0.000 0.977 574 G CA 0.162 45.237 45.100 -0.041 0.000 0.641 574 G HN 0.647 nan 8.290 nan 0.000 0.533 575 R N 0.588 121.070 120.500 -0.031 0.000 2.532 575 R HA 0.446 4.787 4.340 0.002 0.000 0.295 575 R C -2.340 173.951 176.300 -0.015 0.000 0.968 575 R CA -1.946 54.141 56.100 -0.023 0.000 0.916 575 R CB 1.688 31.973 30.300 -0.024 0.000 1.124 575 R HN -0.000 nan 8.270 nan 0.000 0.463 576 P HA -0.033 nan 4.420 nan 0.000 0.235 576 P C -0.530 176.771 177.300 0.003 0.000 1.720 576 P CA -0.043 63.055 63.100 -0.004 0.000 1.003 576 P CB -0.147 31.550 31.700 -0.004 0.000 1.968 577 L N 3.537 124.760 121.223 0.000 0.000 2.410 577 L HA 0.313 4.654 4.340 0.002 0.000 0.273 577 L C -2.191 174.691 176.870 0.019 0.000 1.144 577 L CA -1.864 52.980 54.840 0.006 0.000 0.863 577 L CB -0.113 41.944 42.059 -0.003 0.000 1.140 577 L HN 0.031 nan 8.230 nan 0.000 0.463 578 P HA 0.041 nan 4.420 nan 0.000 0.274 578 P C -0.836 176.520 177.300 0.092 0.000 1.246 578 P CA -0.288 62.851 63.100 0.066 0.000 0.795 578 P CB 0.255 31.996 31.700 0.069 0.000 1.006 579 H N 1.474 120.561 119.070 0.029 0.000 3.167 579 H HA -0.036 4.521 4.556 0.002 0.000 0.306 579 H C 1.185 176.534 175.328 0.035 0.000 0.965 579 H CA 0.728 56.795 56.048 0.032 0.000 1.408 579 H CB 0.296 30.081 29.762 0.037 0.000 1.406 579 H HN 0.339 nan 8.280 nan 0.000 0.576 580 L N 4.027 125.337 121.223 0.145 0.000 2.265 580 L HA -0.155 4.186 4.340 0.002 0.000 0.215 580 L C 2.162 179.149 176.870 0.195 0.000 1.117 580 L CA 1.356 56.275 54.840 0.133 0.000 0.782 580 L CB -0.212 41.877 42.059 0.050 0.000 0.914 580 L HN 0.608 nan 8.230 nan 0.000 0.441 581 A N -0.943 122.085 122.820 0.346 0.000 2.348 581 A HA 0.425 4.746 4.320 0.002 0.000 0.224 581 A C 2.261 179.885 177.584 0.067 0.000 1.227 581 A CA 0.618 52.759 52.037 0.173 0.000 0.885 581 A CB -0.110 18.976 19.000 0.143 0.000 0.933 581 A HN 0.259 nan 8.150 nan 0.000 0.506 582 A N 0.418 123.294 122.820 0.092 0.000 1.902 582 A HA 0.130 4.451 4.320 0.002 0.000 0.217 582 A C 2.420 180.025 177.584 0.036 0.000 1.181 582 A CA 1.917 53.969 52.037 0.024 0.000 0.623 582 A CB -0.849 18.195 19.000 0.074 0.000 0.818 582 A HN 1.030 nan 8.150 nan 0.000 0.443 583 A N -0.516 122.335 122.820 0.053 0.000 1.902 583 A HA -0.142 4.179 4.320 0.002 0.000 0.217 583 A C 2.247 179.855 177.584 0.040 0.000 1.181 583 A CA 1.893 53.957 52.037 0.045 0.000 0.623 583 A CB -0.540 18.488 19.000 0.045 0.000 0.818 583 A HN 0.539 nan 8.150 nan 0.000 0.443 584 M N -1.151 118.473 119.600 0.041 0.000 2.319 584 M HA -0.149 4.332 4.480 0.002 0.000 0.265 584 M C 2.281 178.606 176.300 0.042 0.000 1.068 584 M CA 1.188 56.509 55.300 0.036 0.000 1.118 584 M CB -0.262 32.356 32.600 0.029 0.000 1.395 584 M HN 0.482 nan 8.290 nan 0.000 0.435 585 Q N -0.023 119.799 119.800 0.037 0.000 2.172 585 Q HA -0.048 4.293 4.340 0.002 0.000 0.200 585 Q C 2.105 178.148 176.000 0.072 0.000 0.964 585 Q CA 1.450 57.293 55.803 0.067 0.000 0.855 585 Q CB -0.079 28.674 28.738 0.025 0.000 0.918 585 Q HN 0.573 nan 8.270 nan 0.000 0.444 586 A N 0.401 123.252 122.820 0.051 0.000 2.123 586 A HA -0.049 4.272 4.320 0.002 0.000 0.214 586 A C 2.034 179.646 177.584 0.046 0.000 1.152 586 A CA 1.053 53.120 52.037 0.050 0.000 0.728 586 A CB -0.034 18.993 19.000 0.044 0.000 0.814 586 A HN 0.361 nan 8.150 nan 0.000 0.464 587 S N -2.133 113.594 115.700 0.045 0.000 2.503 587 S HA 0.373 4.844 4.470 0.002 0.000 0.217 587 S C 1.443 176.070 174.600 0.044 0.000 0.999 587 S CA 1.034 59.257 58.200 0.039 0.000 0.914 587 S CB -0.168 63.051 63.200 0.032 0.000 0.782 587 S HN 1.790 nan 8.310 nan 0.000 0.520 588 G N 1.269 110.106 108.800 0.061 0.000 2.143 588 G HA2 -0.267 3.694 3.960 0.002 0.000 0.248 588 G HA3 -0.267 3.694 3.960 0.002 0.000 0.248 588 G C 0.458 175.400 174.900 0.070 0.000 0.991 588 G CA 0.495 45.641 45.100 0.076 0.000 0.689 588 G HN 0.584 nan 8.290 nan 0.000 0.522 589 E N 0.092 120.324 120.200 0.053 0.000 2.140 589 E HA 0.364 4.715 4.350 0.002 0.000 0.191 589 E C 1.881 178.495 176.600 0.023 0.000 0.973 589 E CA 0.278 56.699 56.400 0.034 0.000 0.829 589 E CB 0.048 29.762 29.700 0.022 0.000 0.781 589 E HN 0.897 nan 8.360 nan 0.000 0.466 590 A N 2.013 124.845 122.820 0.020 0.000 2.583 590 A HA 0.005 4.326 4.320 0.002 0.000 0.249 590 A C 0.208 177.740 177.584 -0.087 0.000 1.035 590 A CA 0.307 52.305 52.037 -0.064 0.000 0.777 590 A CB -0.026 18.921 19.000 -0.090 0.000 0.942 590 A HN 0.018 nan 8.150 nan 0.000 0.516 591 V N 4.917 124.740 119.914 -0.153 0.000 2.383 591 V HA 0.344 4.465 4.120 0.002 0.000 0.275 591 V C -0.288 175.673 176.094 -0.221 0.000 1.036 591 V CA -0.060 62.182 62.300 -0.097 0.000 0.889 591 V CB 0.171 31.953 31.823 -0.069 0.000 0.985 591 V HN 0.752 nan 8.190 nan 0.000 0.459 592 Y N 1.930 122.222 120.300 -0.014 0.000 2.596 592 Y HA 0.320 4.871 4.550 0.002 0.000 0.326 592 Y C 1.512 177.400 175.900 -0.020 0.000 1.167 592 Y CA -0.344 57.748 58.100 -0.013 0.000 1.246 592 Y CB 0.771 39.224 38.460 -0.013 0.000 1.347 592 Y HN 0.634 nan 8.280 nan 0.000 0.515 593 C N 0.394 119.795 119.300 0.168 0.000 2.413 593 C HA -0.197 4.264 4.460 0.002 0.000 0.276 593 C C 2.394 177.415 174.990 0.053 0.000 1.248 593 C CA 2.218 61.287 59.018 0.085 0.000 1.742 593 C CB -0.896 26.899 27.740 0.092 0.000 2.017 593 C HN 1.031 nan 8.230 nan 0.000 0.481 594 D N 0.101 120.545 120.400 0.074 0.000 2.312 594 D HA -0.058 4.583 4.640 0.002 0.000 0.211 594 D C 1.522 177.850 176.300 0.047 0.000 0.964 594 D CA 0.973 55.009 54.000 0.060 0.000 0.877 594 D CB -0.347 40.493 40.800 0.067 0.000 0.924 594 D HN 0.564 nan 8.370 nan 0.000 0.515 595 D N -0.217 120.217 120.400 0.057 0.000 2.317 595 D HA -0.011 4.630 4.640 0.002 0.000 0.211 595 D C 0.696 176.982 176.300 -0.023 0.000 0.966 595 D CA 0.053 54.077 54.000 0.040 0.000 0.876 595 D CB 0.156 41.009 40.800 0.088 0.000 0.927 595 D HN 0.358 nan 8.370 nan 0.000 0.519 596 I N 3.097 123.625 120.570 -0.070 0.000 2.668 596 I HA -0.003 4.168 4.170 0.002 0.000 0.285 596 I C -1.877 174.149 176.117 -0.152 0.000 1.168 596 I CA -1.408 59.792 61.300 -0.167 0.000 1.424 596 I CB -0.029 37.790 38.000 -0.302 0.000 1.377 596 I HN -0.308 nan 8.210 nan 0.000 0.560 597 P HA 0.036 nan 4.420 nan 0.000 0.266 597 P C -0.533 176.646 177.300 -0.203 0.000 1.193 597 P CA 0.002 63.010 63.100 -0.154 0.000 0.770 597 P CB 0.449 32.041 31.700 -0.180 0.000 0.836 598 R N 1.274 121.704 120.500 -0.116 0.000 2.615 598 R HA 0.316 4.657 4.340 0.002 0.000 0.270 598 R C -0.102 176.109 176.300 -0.147 0.000 1.081 598 R CA -0.085 55.959 56.100 -0.092 0.000 1.154 598 R CB -0.026 30.300 30.300 0.043 0.000 1.063 598 R HN 0.444 nan 8.270 nan 0.000 0.519 599 Y N 1.037 121.322 120.300 -0.025 0.000 2.301 599 Y HA -0.040 4.511 4.550 0.002 0.000 0.328 599 Y C 1.777 177.687 175.900 0.017 0.000 1.242 599 Y CA 0.130 58.224 58.100 -0.010 0.000 1.323 599 Y CB 1.019 39.470 38.460 -0.016 0.000 1.266 599 Y HN 0.737 nan 8.280 nan 0.000 0.527 600 E N 0.406 120.733 120.200 0.212 0.000 2.187 600 E HA -0.311 4.040 4.350 0.002 0.000 0.199 600 E C 0.503 177.191 176.600 0.148 0.000 1.004 600 E CA 1.867 58.350 56.400 0.140 0.000 0.813 600 E CB -0.289 29.475 29.700 0.107 0.000 0.736 600 E HN 0.740 nan 8.360 nan 0.000 0.468 601 N N 0.822 119.619 118.700 0.162 0.000 2.204 601 N HA 0.012 4.753 4.740 0.002 0.000 0.219 601 N C -0.344 175.314 175.510 0.246 0.000 1.151 601 N CA -0.167 53.002 53.050 0.199 0.000 0.867 601 N CB 0.165 38.715 38.487 0.104 0.000 1.043 601 N HN 0.230 nan 8.380 nan 0.000 0.516 602 E N 1.132 121.437 120.200 0.175 0.000 2.417 602 E HA 0.135 4.486 4.350 0.002 0.000 0.261 602 E C -0.561 176.026 176.600 -0.023 0.000 1.000 602 E CA -0.088 56.353 56.400 0.069 0.000 0.919 602 E CB 0.541 30.250 29.700 0.014 0.000 0.955 602 E HN 0.260 nan 8.360 nan 0.000 0.455 603 L N 3.747 124.915 121.223 -0.091 0.000 2.331 603 L HA 0.537 4.878 4.340 0.002 0.000 0.268 603 L C -0.613 176.089 176.870 -0.280 0.000 1.015 603 L CA -0.990 53.816 54.840 -0.055 0.000 0.807 603 L CB 0.859 42.896 42.059 -0.037 0.000 1.293 603 L HN 0.501 nan 8.230 nan 0.000 0.451 604 F N 0.948 120.919 119.950 0.035 0.000 2.532 604 F HA 0.611 5.139 4.527 0.002 0.000 0.321 604 F C -0.288 175.537 175.800 0.042 0.000 1.089 604 F CA -0.534 57.493 58.000 0.046 0.000 0.926 604 F CB 1.920 40.949 39.000 0.048 0.000 1.168 604 F HN 0.159 nan 8.300 nan 0.000 0.459 605 L N 3.183 124.531 121.223 0.209 0.000 2.346 605 L HA 0.805 5.146 4.340 0.002 0.000 0.274 605 L C -1.102 175.868 176.870 0.167 0.000 1.007 605 L CA -0.747 54.184 54.840 0.151 0.000 0.818 605 L CB 1.695 43.819 42.059 0.107 0.000 1.284 605 L HN 0.723 nan 8.230 nan 0.000 0.424 606 R N 3.869 124.462 120.500 0.155 0.000 2.575 606 R HA 0.605 4.946 4.340 0.002 0.000 0.293 606 R C -1.648 174.747 176.300 0.158 0.000 0.983 606 R CA -0.447 55.747 56.100 0.156 0.000 0.887 606 R CB 1.508 31.905 30.300 0.161 0.000 1.184 606 R HN 0.710 nan 8.270 nan 0.000 0.445 607 L N 3.731 125.049 121.223 0.159 0.000 2.371 607 L HA 0.405 4.747 4.340 0.002 0.000 0.272 607 L C -0.337 176.641 176.870 0.180 0.000 1.124 607 L CA -0.881 54.063 54.840 0.173 0.000 0.816 607 L CB 1.460 43.621 42.059 0.171 0.000 1.129 607 L HN 0.334 nan 8.230 nan 0.000 0.448 608 V N 2.426 122.456 119.914 0.193 0.000 2.370 608 V HA 0.333 4.454 4.120 0.002 0.000 0.279 608 V C 0.267 176.475 176.094 0.189 0.000 1.029 608 V CA -0.196 62.228 62.300 0.207 0.000 0.870 608 V CB 1.526 33.521 31.823 0.287 0.000 0.984 608 V HN 0.780 nan 8.190 nan 0.000 0.451 609 T N 3.128 117.789 114.554 0.178 0.000 2.932 609 T HA 0.358 4.709 4.350 0.002 0.000 0.289 609 T C -0.017 174.799 174.700 0.195 0.000 1.039 609 T CA -0.207 62.001 62.100 0.179 0.000 1.024 609 T CB 1.786 70.753 68.868 0.165 0.000 1.090 609 T HN 0.679 nan 8.240 nan 0.000 0.496 610 S N 0.709 116.532 115.700 0.205 0.000 2.564 610 S HA 0.213 4.684 4.470 0.002 0.000 0.278 610 S C 1.172 175.849 174.600 0.129 0.000 1.333 610 S CA -0.299 58.035 58.200 0.222 0.000 1.048 610 S CB 0.282 63.613 63.200 0.218 0.000 0.900 610 S HN 0.829 nan 8.310 nan 0.000 0.505 611 T N 2.881 117.467 114.554 0.053 0.000 3.223 611 T HA 0.420 4.771 4.350 0.002 0.000 0.259 611 T C 0.155 174.726 174.700 -0.215 0.000 1.015 611 T CA -0.564 61.509 62.100 -0.044 0.000 0.908 611 T CB -0.113 68.772 68.868 0.027 0.000 1.054 611 T HN 0.400 nan 8.240 nan 0.000 0.567 612 R N -0.277 120.060 120.500 -0.272 0.000 2.740 612 R HA 0.756 5.097 4.340 0.002 0.000 0.273 612 R C 0.577 176.831 176.300 -0.077 0.000 0.998 612 R CA -0.419 55.523 56.100 -0.265 0.000 0.900 612 R CB 1.334 31.323 30.300 -0.518 0.000 1.223 612 R HN 0.102 nan 8.270 nan 0.000 0.466 613 A N 0.463 123.266 122.820 -0.029 0.000 1.975 613 A HA -0.016 4.305 4.320 0.002 0.000 0.215 613 A C 0.080 177.732 177.584 0.115 0.000 1.170 613 A CA 1.363 53.416 52.037 0.026 0.000 0.656 613 A CB -0.061 18.939 19.000 -0.001 0.000 0.821 613 A HN 0.574 nan 8.150 nan 0.000 0.449 614 H N -1.772 117.287 119.070 -0.019 0.000 3.128 614 H HA 0.628 5.184 4.556 0.002 0.000 0.336 614 H C -0.983 174.357 175.328 0.020 0.000 1.026 614 H CA -0.450 55.606 56.048 0.013 0.000 1.376 614 H CB 0.946 30.706 29.762 -0.003 0.000 1.882 614 H HN 0.504 nan 8.280 nan 0.000 0.479 615 A N 3.712 126.542 122.820 0.017 0.000 2.583 615 A HA 0.488 4.809 4.320 0.002 0.000 0.292 615 A C -1.467 176.157 177.584 0.067 0.000 1.045 615 A CA -0.919 51.112 52.037 -0.010 0.000 0.672 615 A CB 1.243 20.282 19.000 0.064 0.000 1.283 615 A HN 0.491 nan 8.150 nan 0.000 0.419 616 K N 1.123 121.551 120.400 0.047 0.000 2.322 616 K HA 0.543 4.864 4.320 0.002 0.000 0.283 616 K C -0.698 175.961 176.600 0.098 0.000 1.042 616 K CA -0.043 56.277 56.287 0.056 0.000 0.958 616 K CB 0.073 32.583 32.500 0.017 0.000 0.984 616 K HN 0.477 nan 8.250 nan 0.000 0.473 617 I N 5.829 126.436 120.570 0.063 0.000 2.406 617 I HA 0.010 4.181 4.170 0.002 0.000 0.293 617 I C 1.353 177.441 176.117 -0.049 0.000 1.101 617 I CA 0.035 61.323 61.300 -0.019 0.000 1.334 617 I CB 0.775 38.759 38.000 -0.026 0.000 1.421 617 I HN 0.746 nan 8.210 nan 0.000 0.513 618 K N 4.429 124.778 120.400 -0.084 0.000 2.186 618 K HA 0.004 4.325 4.320 0.002 0.000 0.202 618 K C 0.390 176.943 176.600 -0.079 0.000 1.052 618 K CA 0.825 57.074 56.287 -0.062 0.000 0.965 618 K CB 0.383 32.854 32.500 -0.048 0.000 0.746 618 K HN 0.765 nan 8.250 nan 0.000 0.457 619 S N -0.823 114.801 115.700 -0.126 0.000 2.586 619 S HA 0.386 4.857 4.470 0.002 0.000 0.277 619 S C -1.090 173.407 174.600 -0.172 0.000 1.131 619 S CA -1.151 56.978 58.200 -0.120 0.000 0.848 619 S CB 0.813 63.953 63.200 -0.100 0.000 1.091 619 S HN 0.078 nan 8.310 nan 0.000 0.453 620 I N 1.636 122.111 120.570 -0.157 0.000 2.465 620 I HA 0.533 4.704 4.170 0.002 0.000 0.291 620 I C -1.297 174.673 176.117 -0.245 0.000 1.014 620 I CA -0.403 60.764 61.300 -0.222 0.000 1.093 620 I CB 2.018 39.889 38.000 -0.215 0.000 1.267 620 I HN 0.696 nan 8.210 nan 0.000 0.431 621 D N 4.830 125.063 120.400 -0.279 0.000 2.471 621 D HA 0.317 4.958 4.640 0.002 0.000 0.245 621 D C 0.356 176.477 176.300 -0.298 0.000 1.116 621 D CA -0.403 53.450 54.000 -0.245 0.000 0.853 621 D CB 1.949 42.642 40.800 -0.179 0.000 1.123 621 D HN 0.334 nan 8.370 nan 0.000 0.540 622 V N 1.249 120.981 119.914 -0.304 0.000 3.542 622 V HA 0.151 4.272 4.120 0.002 0.000 0.296 622 V C 1.528 177.453 176.094 -0.281 0.000 1.364 622 V CA 0.267 62.373 62.300 -0.324 0.000 1.118 622 V CB -0.000 31.642 31.823 -0.301 0.000 0.972 622 V HN 0.337 nan 8.190 nan 0.000 0.430 623 S N 1.662 117.231 115.700 -0.217 0.000 2.369 623 S HA -0.216 4.255 4.470 0.002 0.000 0.225 623 S C 1.882 176.355 174.600 -0.212 0.000 1.043 623 S CA 2.248 60.336 58.200 -0.187 0.000 1.074 623 S CB -0.331 62.787 63.200 -0.137 0.000 0.962 623 S HN 0.753 nan 8.310 nan 0.000 0.433 624 E N 1.327 121.412 120.200 -0.191 0.000 2.152 624 E HA 0.046 4.397 4.350 0.002 0.000 0.192 624 E C 2.359 178.830 176.600 -0.216 0.000 0.983 624 E CA 0.913 57.212 56.400 -0.168 0.000 0.818 624 E CB -0.490 29.136 29.700 -0.123 0.000 0.758 624 E HN 0.512 nan 8.360 nan 0.000 0.467 625 A N 1.362 124.013 122.820 -0.282 0.000 1.933 625 A HA -0.228 4.094 4.320 0.002 0.000 0.218 625 A C 2.126 179.238 177.584 -0.787 0.000 1.175 625 A CA 1.416 53.235 52.037 -0.364 0.000 0.628 625 A CB -0.552 18.286 19.000 -0.271 0.000 0.814 625 A HN 0.186 nan 8.150 nan 0.000 0.444 626 Q N -0.531 118.718 119.800 -0.919 0.000 2.308 626 Q HA -0.156 4.185 4.340 0.002 0.000 0.209 626 Q C 1.552 177.272 176.000 -0.468 0.000 0.985 626 Q CA 1.550 56.768 55.803 -0.976 0.000 0.881 626 Q CB -0.098 28.338 28.738 -0.504 0.000 0.917 626 Q HN 0.628 nan 8.270 nan 0.000 0.443 627 K N -0.417 119.796 120.400 -0.312 0.000 2.393 627 K HA 0.099 4.420 4.320 0.002 0.000 0.193 627 K C -0.163 176.366 176.600 -0.118 0.000 1.026 627 K CA -0.100 56.088 56.287 -0.165 0.000 1.064 627 K CB 0.758 33.183 32.500 -0.126 0.000 0.833 627 K HN -0.034 nan 8.250 nan 0.000 0.521 628 V N 3.870 123.708 119.914 -0.126 0.000 2.637 628 V HA 0.053 4.174 4.120 0.002 0.000 0.296 628 V C -2.208 173.834 176.094 -0.087 0.000 1.046 628 V CA -1.622 60.641 62.300 -0.062 0.000 1.066 628 V CB 0.573 32.405 31.823 0.015 0.000 0.968 628 V HN 0.074 nan 8.190 nan 0.000 0.483 629 P HA 0.253 nan 4.420 nan 0.000 0.267 629 P C 0.836 177.830 177.300 -0.509 0.000 1.205 629 P CA 1.021 63.938 63.100 -0.305 0.000 0.765 629 P CB 0.630 32.121 31.700 -0.348 0.000 0.828 630 G N 2.230 110.917 108.800 -0.189 0.000 2.179 630 G HA2 -0.290 3.671 3.960 0.002 0.000 0.260 630 G HA3 -0.290 3.671 3.960 0.002 0.000 0.260 630 G C 0.030 174.979 174.900 0.081 0.000 0.977 630 G CA -0.399 44.676 45.100 -0.042 0.000 0.641 630 G HN 0.553 nan 8.290 nan 0.000 0.533 631 F N 0.936 120.857 119.950 -0.049 0.000 2.572 631 F HA 0.451 4.979 4.527 0.002 0.000 0.370 631 F C 1.267 177.072 175.800 0.009 0.000 1.103 631 F CA 0.751 58.754 58.000 0.006 0.000 1.286 631 F CB 1.038 40.037 39.000 -0.003 0.000 1.105 631 F HN -0.079 nan 8.300 nan 0.000 0.583 632 V N 4.202 123.695 119.914 -0.703 0.000 2.870 632 V HA 0.101 4.222 4.120 0.002 0.000 0.232 632 V C 0.299 175.962 176.094 -0.719 0.000 1.161 632 V CA 0.967 62.962 62.300 -0.509 0.000 1.204 632 V CB 0.413 32.045 31.823 -0.318 0.000 1.003 632 V HN 1.018 nan 8.190 nan 0.000 0.499 633 C N -1.655 117.055 119.300 -0.984 0.000 3.312 633 C HA 0.711 5.172 4.460 0.002 0.000 0.332 633 C C -1.145 173.667 174.990 -0.296 0.000 1.340 633 C CA -1.343 57.357 59.018 -0.530 0.000 1.265 633 C CB 0.857 28.494 27.740 -0.172 0.000 1.563 633 C HN 0.338 nan 8.230 nan 0.000 0.471 634 F N 1.547 121.499 119.950 0.004 0.000 2.421 634 F HA 0.844 5.371 4.527 0.002 0.000 0.337 634 F C -0.841 174.920 175.800 -0.065 0.000 1.105 634 F CA -1.105 56.914 58.000 0.032 0.000 1.049 634 F CB 0.870 39.957 39.000 0.145 0.000 1.139 634 F HN 0.677 nan 8.300 nan 0.000 0.479 635 L N 5.683 126.310 121.223 -0.993 0.000 2.341 635 L HA 0.597 4.938 4.340 0.002 0.000 0.278 635 L C -0.400 175.627 176.870 -1.405 0.000 1.005 635 L CA -0.359 53.959 54.840 -0.869 0.000 0.818 635 L CB 1.864 43.620 42.059 -0.504 0.000 1.259 635 L HN 0.723 nan 8.230 nan 0.000 0.418 636 S N 0.616 115.828 115.700 -0.814 0.000 2.874 636 S HA 0.566 5.037 4.470 0.002 0.000 0.318 636 S C 1.031 175.543 174.600 -0.147 0.000 1.109 636 S CA -0.113 57.701 58.200 -0.644 0.000 0.878 636 S CB 1.280 64.356 63.200 -0.207 0.000 1.307 636 S HN 0.633 nan 8.310 nan 0.000 0.592 637 A N 1.147 124.006 122.820 0.066 0.000 1.927 637 A HA -0.206 4.115 4.320 0.002 0.000 0.220 637 A C 1.482 179.126 177.584 0.101 0.000 1.185 637 A CA 2.194 54.334 52.037 0.172 0.000 0.639 637 A CB -1.092 17.980 19.000 0.119 0.000 0.820 637 A HN 0.748 nan 8.150 nan 0.000 0.451 638 D N 0.118 120.549 120.400 0.052 0.000 2.263 638 D HA -0.092 4.549 4.640 0.002 0.000 0.208 638 D C 0.884 177.214 176.300 0.050 0.000 0.971 638 D CA 1.060 55.086 54.000 0.045 0.000 0.867 638 D CB -0.332 40.490 40.800 0.037 0.000 0.929 638 D HN 0.492 nan 8.370 nan 0.000 0.492 639 D N 0.205 120.635 120.400 0.050 0.000 2.355 639 D HA 0.012 4.653 4.640 0.002 0.000 0.218 639 D C 0.760 177.120 176.300 0.100 0.000 1.004 639 D CA 0.045 54.090 54.000 0.074 0.000 0.880 639 D CB 0.760 41.588 40.800 0.047 0.000 0.911 639 D HN 0.270 nan 8.370 nan 0.000 0.528 640 I N 3.408 124.026 120.570 0.080 0.000 2.505 640 I HA -0.018 4.153 4.170 0.002 0.000 0.287 640 I C -0.882 175.213 176.117 -0.037 0.000 1.104 640 I CA -1.133 60.177 61.300 0.017 0.000 1.387 640 I CB 1.296 39.306 38.000 0.017 0.000 1.404 640 I HN -0.166 nan 8.210 nan 0.000 0.528 641 P HA 0.004 nan 4.420 nan 0.000 0.224 641 P C 0.950 178.187 177.300 -0.105 0.000 1.157 641 P CA 0.796 63.821 63.100 -0.126 0.000 0.799 641 P CB 0.484 31.996 31.700 -0.314 0.000 0.809 642 G N -0.412 108.310 108.800 -0.130 0.000 2.606 642 G HA2 0.202 4.163 3.960 0.002 0.000 0.213 642 G HA3 0.202 4.163 3.960 0.002 0.000 0.213 642 G C -0.272 174.589 174.900 -0.065 0.000 2.020 642 G CA 0.193 45.239 45.100 -0.090 0.000 0.814 642 G HN 0.331 nan 8.290 nan 0.000 0.685 643 S N -0.383 115.273 115.700 -0.073 0.000 2.500 643 S HA 0.392 4.863 4.470 0.002 0.000 0.301 643 S C -0.177 174.377 174.600 -0.076 0.000 1.092 643 S CA -0.639 57.524 58.200 -0.063 0.000 1.030 643 S CB 1.626 64.787 63.200 -0.065 0.000 1.031 643 S HN 0.303 nan 8.310 nan 0.000 0.483 644 N N 2.887 121.554 118.700 -0.055 0.000 2.276 644 N HA 0.109 4.850 4.740 0.002 0.000 0.212 644 N C -0.308 175.157 175.510 -0.076 0.000 1.127 644 N CA -0.022 52.993 53.050 -0.059 0.000 0.834 644 N CB 0.254 38.738 38.487 -0.005 0.000 1.014 644 N HN 0.745 nan 8.380 nan 0.000 0.491 645 E N -0.089 120.054 120.200 -0.096 0.000 2.145 645 E HA 0.302 4.653 4.350 0.002 0.000 0.270 645 E C -1.057 175.420 176.600 -0.206 0.000 0.906 645 E CA -0.334 56.000 56.400 -0.110 0.000 0.761 645 E CB 1.154 30.814 29.700 -0.067 0.000 1.116 645 E HN 0.083 nan 8.360 nan 0.000 0.408 646 T N 2.132 116.522 114.554 -0.274 0.000 2.669 646 T HA 0.771 5.122 4.350 0.002 0.000 0.283 646 T C -0.530 173.864 174.700 -0.510 0.000 1.019 646 T CA 0.467 62.237 62.100 -0.551 0.000 1.039 646 T CB 1.203 69.751 68.868 -0.533 0.000 1.374 646 T HN 0.919 nan 8.240 nan 0.000 0.523 647 G N 0.542 108.875 108.800 -0.778 0.000 2.692 647 G HA2 -0.052 3.909 3.960 0.002 0.000 0.686 647 G HA3 -0.052 3.909 3.960 0.002 0.000 0.686 647 G C 0.221 175.059 174.900 -0.105 0.000 1.243 647 G CA -0.145 44.785 45.100 -0.284 0.000 0.782 647 G HN 0.987 nan 8.290 nan 0.000 0.625 648 L N 0.315 121.600 121.223 0.102 0.000 2.127 648 L HA 0.226 4.568 4.340 0.002 0.000 0.211 648 L C 2.000 178.610 176.870 -0.433 0.000 1.089 648 L CA 2.337 57.133 54.840 -0.072 0.000 0.757 648 L CB -0.415 41.537 42.059 -0.178 0.000 0.899 648 L HN 0.569 nan 8.230 nan 0.000 0.434 649 F N -1.109 118.865 119.950 0.040 0.000 2.698 649 F HA 0.279 4.807 4.527 0.002 0.000 0.304 649 F C 0.974 176.759 175.800 -0.024 0.000 1.108 649 F CA -0.474 57.529 58.000 0.005 0.000 1.263 649 F CB -0.041 38.946 39.000 -0.022 0.000 1.013 649 F HN -0.003 nan 8.300 nan 0.000 0.532 650 N N 1.438 120.165 118.700 0.045 0.000 2.741 650 N HA -0.187 4.554 4.740 0.002 0.000 0.250 650 N C 0.023 175.543 175.510 0.017 0.000 1.115 650 N CA 1.234 54.276 53.050 -0.013 0.000 0.724 650 N CB -1.038 37.447 38.487 -0.004 0.000 1.090 650 N HN 0.521 nan 8.380 nan 0.000 0.558 651 D N -0.895 119.526 120.400 0.036 0.000 2.398 651 D HA 0.090 4.731 4.640 0.002 0.000 0.210 651 D C 0.226 176.540 176.300 0.023 0.000 1.094 651 D CA 0.294 54.318 54.000 0.041 0.000 0.839 651 D CB 0.278 41.107 40.800 0.048 0.000 0.963 651 D HN 0.359 nan 8.370 nan 0.000 0.506 652 E N 0.436 120.628 120.200 -0.013 0.000 2.207 652 E HA 0.387 4.738 4.350 0.002 0.000 0.270 652 E C -0.153 176.439 176.600 -0.015 0.000 0.927 652 E CA -0.742 55.652 56.400 -0.010 0.000 0.799 652 E CB 1.668 31.341 29.700 -0.045 0.000 1.172 652 E HN 0.139 nan 8.360 nan 0.000 0.404 653 T N -1.586 113.001 114.554 0.056 0.000 2.882 653 T HA 0.167 4.518 4.350 0.002 0.000 0.287 653 T C 1.053 175.737 174.700 -0.026 0.000 1.014 653 T CA -0.803 61.320 62.100 0.038 0.000 1.049 653 T CB 1.200 70.135 68.868 0.112 0.000 1.001 653 T HN 0.160 nan 8.240 nan 0.000 0.525 654 V N 0.460 120.302 119.914 -0.120 0.000 2.346 654 V HA 0.216 4.337 4.120 0.002 0.000 0.244 654 V C 0.332 176.206 176.094 -0.366 0.000 1.037 654 V CA 0.961 63.075 62.300 -0.309 0.000 1.029 654 V CB -0.581 30.976 31.823 -0.443 0.000 0.663 654 V HN 0.850 nan 8.190 nan 0.000 0.454 655 F N -0.682 119.257 119.950 -0.019 0.000 2.529 655 F HA 0.704 5.232 4.527 0.002 0.000 0.320 655 F C 0.346 176.119 175.800 -0.045 0.000 1.118 655 F CA -0.961 57.016 58.000 -0.038 0.000 0.915 655 F CB 1.250 40.213 39.000 -0.062 0.000 1.161 655 F HN 0.008 nan 8.300 nan 0.000 0.445 656 A N 3.552 126.418 122.820 0.078 0.000 2.498 656 A HA 0.206 4.527 4.320 0.002 0.000 0.239 656 A C 0.663 178.266 177.584 0.031 0.000 1.068 656 A CA 0.019 52.021 52.037 -0.057 0.000 0.766 656 A CB 0.739 19.502 19.000 -0.395 0.000 1.003 656 A HN 1.010 nan 8.150 nan 0.000 0.497 657 K N -0.010 120.420 120.400 0.050 0.000 2.290 657 K HA 0.072 4.393 4.320 0.002 0.000 0.225 657 K C 0.532 177.160 176.600 0.046 0.000 1.060 657 K CA 0.659 56.979 56.287 0.055 0.000 0.903 657 K CB 0.243 32.779 32.500 0.061 0.000 1.158 657 K HN 0.701 nan 8.250 nan 0.000 0.460 658 D N 0.026 120.460 120.400 0.057 0.000 2.324 658 D HA -0.007 4.634 4.640 0.002 0.000 0.212 658 D C 0.256 176.597 176.300 0.067 0.000 0.984 658 D CA 0.780 54.811 54.000 0.052 0.000 0.885 658 D CB 0.799 41.629 40.800 0.050 0.000 0.996 658 D HN 0.390 nan 8.370 nan 0.000 0.505 659 T N -0.923 113.691 114.554 0.100 0.000 2.912 659 T HA 0.521 4.872 4.350 0.002 0.000 0.299 659 T C -0.306 174.516 174.700 0.203 0.000 1.052 659 T CA -0.932 61.255 62.100 0.144 0.000 0.996 659 T CB 2.364 71.325 68.868 0.155 0.000 1.070 659 T HN -0.117 nan 8.240 nan 0.000 0.465 660 V N 1.391 121.456 119.914 0.251 0.000 2.539 660 V HA 0.770 4.891 4.120 0.002 0.000 0.292 660 V C 0.843 177.213 176.094 0.459 0.000 1.045 660 V CA -0.027 62.511 62.300 0.397 0.000 0.945 660 V CB 0.901 32.910 31.823 0.310 0.000 0.993 660 V HN 1.191 nan 8.190 nan 0.000 0.464 661 T N -1.002 113.837 114.554 0.474 0.000 3.043 661 T HA 0.370 4.721 4.350 0.002 0.000 0.272 661 T C 0.317 175.018 174.700 0.003 0.000 0.990 661 T CA 0.398 62.581 62.100 0.139 0.000 0.897 661 T CB -0.563 68.297 68.868 -0.014 0.000 1.111 661 T HN 1.572 nan 8.240 nan 0.000 0.529 662 C N -1.484 117.860 119.300 0.074 0.000 3.312 662 C HA 0.724 5.185 4.460 0.002 0.000 0.332 662 C C 1.297 176.353 174.990 0.110 0.000 1.340 662 C CA -0.657 58.386 59.018 0.041 0.000 1.265 662 C CB 0.856 28.583 27.740 -0.022 0.000 1.563 662 C HN 0.023 nan 8.230 nan 0.000 0.471 663 V N 2.214 122.172 119.914 0.073 0.000 2.220 663 V HA -0.014 4.107 4.120 0.002 0.000 0.246 663 V C 2.659 178.830 176.094 0.128 0.000 1.049 663 V CA 2.994 65.343 62.300 0.081 0.000 1.003 663 V CB -1.130 30.729 31.823 0.059 0.000 0.634 663 V HN 1.276 nan 8.190 nan 0.000 0.444 664 G N -1.491 107.386 108.800 0.127 0.000 2.843 664 G HA2 -0.173 3.788 3.960 0.002 0.000 0.205 664 G HA3 -0.173 3.788 3.960 0.002 0.000 0.205 664 G C 0.515 175.539 174.900 0.207 0.000 1.160 664 G CA -0.078 45.111 45.100 0.147 0.000 0.819 664 G HN 0.691 nan 8.290 nan 0.000 0.516 665 H N 0.142 119.274 119.070 0.104 0.000 2.929 665 H HA 0.200 4.757 4.556 0.002 0.000 0.317 665 H C 0.184 175.598 175.328 0.145 0.000 1.031 665 H CA -0.862 55.255 56.048 0.115 0.000 1.466 665 H CB 0.473 30.305 29.762 0.117 0.000 1.482 665 H HN -0.006 nan 8.280 nan 0.000 0.561 666 I N 7.363 128.119 120.570 0.311 0.000 2.505 666 I HA -0.129 4.042 4.170 0.002 0.000 0.287 666 I C 0.909 177.106 176.117 0.134 0.000 1.104 666 I CA 0.364 61.795 61.300 0.217 0.000 1.387 666 I CB 0.696 38.841 38.000 0.242 0.000 1.404 666 I HN 0.704 nan 8.210 nan 0.000 0.528 667 I N 4.908 125.558 120.570 0.135 0.000 3.265 667 I HA 0.270 4.441 4.170 0.002 0.000 0.282 667 I C 1.156 177.281 176.117 0.013 0.000 1.207 667 I CA 0.253 61.601 61.300 0.079 0.000 1.449 667 I CB 0.201 38.258 38.000 0.096 0.000 1.121 667 I HN 0.766 nan 8.210 nan 0.000 0.442 668 G N 0.361 109.110 108.800 -0.086 0.000 2.321 668 G HA2 0.680 4.641 3.960 0.002 0.000 0.296 668 G HA3 0.680 4.641 3.960 0.002 0.000 0.296 668 G C -2.103 172.533 174.900 -0.440 0.000 1.287 668 G CA 0.069 44.678 45.100 -0.818 0.000 0.846 668 G HN 0.218 nan 8.290 nan 0.000 0.508 669 A N -1.427 120.992 122.820 -0.668 0.000 2.594 669 A HA 0.762 5.083 4.320 0.002 0.000 0.296 669 A C -1.402 176.119 177.584 -0.104 0.000 1.061 669 A CA -0.347 51.595 52.037 -0.158 0.000 0.689 669 A CB 1.616 20.630 19.000 0.024 0.000 1.280 669 A HN 1.697 nan 8.150 nan 0.000 0.406 670 V N 1.373 121.359 119.914 0.119 0.000 2.532 670 V HA 0.614 4.735 4.120 0.002 0.000 0.295 670 V C -0.421 175.703 176.094 0.050 0.000 1.041 670 V CA -0.352 62.048 62.300 0.167 0.000 0.926 670 V CB 1.735 33.746 31.823 0.314 0.000 0.992 670 V HN 0.758 nan 8.190 nan 0.000 0.457 671 V N 4.195 124.056 119.914 -0.088 0.000 2.487 671 V HA 0.909 5.030 4.120 0.002 0.000 0.298 671 V C 0.118 176.129 176.094 -0.139 0.000 1.028 671 V CA -0.174 62.077 62.300 -0.082 0.000 0.860 671 V CB 1.365 33.111 31.823 -0.129 0.000 0.991 671 V HN 1.060 nan 8.190 nan 0.000 0.427 672 A N 3.076 125.913 122.820 0.028 0.000 2.552 672 A HA 0.741 5.062 4.320 0.002 0.000 0.288 672 A C 0.384 178.078 177.584 0.184 0.000 1.193 672 A CA -0.068 52.014 52.037 0.075 0.000 0.713 672 A CB 1.475 20.583 19.000 0.180 0.000 1.305 672 A HN 0.759 nan 8.150 nan 0.000 0.424 673 D N -0.527 119.996 120.400 0.205 0.000 2.347 673 D HA 0.069 4.710 4.640 0.002 0.000 0.213 673 D C 0.645 177.103 176.300 0.262 0.000 0.985 673 D CA 1.449 55.602 54.000 0.254 0.000 0.879 673 D CB -0.192 40.725 40.800 0.196 0.000 0.919 673 D HN 0.672 nan 8.370 nan 0.000 0.526 674 T N -4.912 109.695 114.554 0.088 0.000 2.883 674 T HA 0.484 4.835 4.350 0.002 0.000 0.296 674 T C -2.485 171.932 174.700 -0.471 0.000 1.117 674 T CA -1.692 60.169 62.100 -0.397 0.000 1.006 674 T CB 2.350 70.955 68.868 -0.438 0.000 1.191 674 T HN -0.394 nan 8.240 nan 0.000 0.508 675 P HA 0.082 nan 4.420 nan 0.000 0.221 675 P C 0.969 178.168 177.300 -0.168 0.000 1.150 675 P CA 0.802 63.686 63.100 -0.360 0.000 0.800 675 P CB 0.166 31.646 31.700 -0.367 0.000 0.787 676 E N -1.270 118.782 120.200 -0.246 0.000 2.015 676 E HA -0.182 4.169 4.350 0.002 0.000 0.191 676 E C 2.119 178.693 176.600 -0.044 0.000 0.991 676 E CA 1.168 57.468 56.400 -0.166 0.000 0.802 676 E CB -1.055 28.486 29.700 -0.264 0.000 0.759 676 E HN 0.333 nan 8.360 nan 0.000 0.447 677 H N 0.294 119.358 119.070 -0.010 0.000 2.319 677 H HA -0.104 4.453 4.556 0.002 0.000 0.297 677 H C 1.999 177.384 175.328 0.094 0.000 1.097 677 H CA 1.567 57.645 56.048 0.049 0.000 1.285 677 H CB -0.841 28.956 29.762 0.058 0.000 1.368 677 H HN 0.251 nan 8.280 nan 0.000 0.495 678 A N 0.849 123.793 122.820 0.207 0.000 1.908 678 A HA -0.231 4.090 4.320 0.002 0.000 0.218 678 A C 2.433 180.122 177.584 0.176 0.000 1.181 678 A CA 1.886 54.040 52.037 0.194 0.000 0.627 678 A CB -0.513 18.593 19.000 0.177 0.000 0.818 678 A HN 0.576 nan 8.150 nan 0.000 0.445 679 E N -0.323 119.954 120.200 0.128 0.000 2.031 679 E HA -0.235 4.116 4.350 0.002 0.000 0.193 679 E C 2.297 178.985 176.600 0.147 0.000 0.994 679 E CA 1.234 57.706 56.400 0.119 0.000 0.800 679 E CB -0.160 29.578 29.700 0.065 0.000 0.752 679 E HN 0.582 nan 8.360 nan 0.000 0.447 680 R N -0.131 120.454 120.500 0.141 0.000 2.103 680 R HA -0.175 4.166 4.340 0.002 0.000 0.242 680 R C 2.366 178.775 176.300 0.181 0.000 1.142 680 R CA 1.361 57.554 56.100 0.155 0.000 0.960 680 R CB -0.310 30.080 30.300 0.149 0.000 0.858 680 R HN 0.221 nan 8.270 nan 0.000 0.439 681 A N 0.803 123.737 122.820 0.189 0.000 1.897 681 A HA 0.014 4.335 4.320 0.002 0.000 0.215 681 A C 2.340 180.030 177.584 0.176 0.000 1.181 681 A CA 1.253 53.399 52.037 0.183 0.000 0.620 681 A CB -0.527 18.659 19.000 0.311 0.000 0.821 681 A HN 0.378 nan 8.150 nan 0.000 0.443 682 A N -0.523 122.422 122.820 0.209 0.000 1.908 682 A HA -0.248 4.073 4.320 0.002 0.000 0.218 682 A C 2.008 179.683 177.584 0.152 0.000 1.181 682 A CA 2.224 54.378 52.037 0.195 0.000 0.627 682 A CB -0.914 18.206 19.000 0.200 0.000 0.818 682 A HN 0.810 nan 8.150 nan 0.000 0.445 683 H N -0.906 118.214 119.070 0.084 0.000 2.495 683 H HA 0.062 4.619 4.556 0.002 0.000 0.287 683 H C 1.273 176.622 175.328 0.034 0.000 1.033 683 H CA 1.510 57.595 56.048 0.062 0.000 1.307 683 H CB 0.036 29.833 29.762 0.059 0.000 1.401 683 H HN 0.154 nan 8.280 nan 0.000 0.555 684 V N 0.519 120.383 119.914 -0.085 0.000 3.649 684 V HA 0.032 4.153 4.120 0.002 0.000 0.275 684 V C 0.466 176.462 176.094 -0.163 0.000 1.281 684 V CA 0.230 62.442 62.300 -0.147 0.000 1.143 684 V CB 0.194 31.985 31.823 -0.054 0.000 0.892 684 V HN 0.134 nan 8.190 nan 0.000 0.441 685 V N 2.285 122.113 119.914 -0.143 0.000 2.425 685 V HA 0.082 4.203 4.120 0.002 0.000 0.276 685 V C 0.437 176.416 176.094 -0.191 0.000 1.017 685 V CA -0.156 62.025 62.300 -0.198 0.000 1.062 685 V CB 0.179 31.875 31.823 -0.212 0.000 0.997 685 V HN 0.364 nan 8.190 nan 0.000 0.476 686 K N 4.242 124.523 120.400 -0.198 0.000 2.339 686 K HA 0.434 4.755 4.320 0.002 0.000 0.286 686 K C -0.588 175.888 176.600 -0.207 0.000 1.050 686 K CA -0.003 56.183 56.287 -0.168 0.000 0.956 686 K CB 1.226 33.641 32.500 -0.142 0.000 0.990 686 K HN 0.477 nan 8.250 nan 0.000 0.475 687 V N 3.502 123.286 119.914 -0.217 0.000 2.384 687 V HA 0.321 4.442 4.120 0.002 0.000 0.287 687 V C -0.313 175.455 176.094 -0.542 0.000 1.020 687 V CA -0.905 61.156 62.300 -0.398 0.000 0.850 687 V CB 1.696 33.231 31.823 -0.481 0.000 0.987 687 V HN 0.795 nan 8.190 nan 0.000 0.436 688 T N 4.678 118.958 114.554 -0.456 0.000 2.837 688 T HA 0.694 5.045 4.350 0.002 0.000 0.285 688 T C -0.830 173.633 174.700 -0.395 0.000 0.984 688 T CA -0.233 61.676 62.100 -0.317 0.000 1.049 688 T CB 0.792 69.568 68.868 -0.154 0.000 0.947 688 T HN 0.455 nan 8.240 nan 0.000 0.472 689 Y N 0.361 120.654 120.300 -0.012 0.000 2.570 689 Y HA 0.547 5.098 4.550 0.002 0.000 0.345 689 Y C 0.307 176.199 175.900 -0.014 0.000 1.014 689 Y CA -1.198 56.897 58.100 -0.008 0.000 1.063 689 Y CB 1.998 40.459 38.460 0.001 0.000 1.272 689 Y HN 0.629 nan 8.280 nan 0.000 0.477 690 E N 1.893 122.190 120.200 0.162 0.000 2.216 690 E HA 0.214 4.565 4.350 0.002 0.000 0.260 690 E C -1.556 175.068 176.600 0.040 0.000 0.880 690 E CA -0.772 55.672 56.400 0.074 0.000 0.765 690 E CB 0.875 30.594 29.700 0.030 0.000 1.174 690 E HN 0.568 nan 8.360 nan 0.000 0.417 691 D N 3.645 124.055 120.400 0.016 0.000 2.399 691 D HA 0.219 4.860 4.640 0.002 0.000 0.241 691 D C -0.056 176.200 176.300 -0.074 0.000 1.133 691 D CA 0.434 54.417 54.000 -0.028 0.000 0.890 691 D CB 0.998 41.785 40.800 -0.022 0.000 1.201 691 D HN 0.400 nan 8.370 nan 0.000 0.432 692 L N 1.688 122.830 121.223 -0.136 0.000 2.309 692 L HA 0.373 4.714 4.340 0.002 0.000 0.261 692 L C -2.277 174.559 176.870 -0.056 0.000 1.021 692 L CA -2.058 52.663 54.840 -0.198 0.000 0.823 692 L CB 1.901 43.616 42.059 -0.573 0.000 1.366 692 L HN 0.105 nan 8.230 nan 0.000 0.423 693 P HA 0.126 nan 4.420 nan 0.000 0.265 693 P C -1.206 176.193 177.300 0.165 0.000 1.193 693 P CA -0.028 63.110 63.100 0.064 0.000 0.765 693 P CB 0.604 32.334 31.700 0.050 0.000 0.823 694 A N 3.726 126.595 122.820 0.082 0.000 2.342 694 A HA 0.667 4.988 4.320 0.002 0.000 0.323 694 A C -0.498 177.068 177.584 -0.030 0.000 1.125 694 A CA -0.737 51.334 52.037 0.057 0.000 0.785 694 A CB 0.572 19.598 19.000 0.043 0.000 1.221 694 A HN 0.475 nan 8.150 nan 0.000 0.463 695 I N 3.163 123.680 120.570 -0.088 0.000 2.330 695 I HA 0.322 4.493 4.170 0.002 0.000 0.289 695 I C 0.203 176.239 176.117 -0.135 0.000 1.001 695 I CA 0.084 61.311 61.300 -0.122 0.000 1.193 695 I CB 1.401 39.302 38.000 -0.166 0.000 1.345 695 I HN 0.724 nan 8.210 nan 0.000 0.461 696 I N 3.086 123.580 120.570 -0.127 0.000 3.366 696 I HA 0.029 4.201 4.170 0.002 0.000 0.267 696 I C 1.258 177.281 176.117 -0.155 0.000 1.149 696 I CA 0.544 61.755 61.300 -0.149 0.000 1.436 696 I CB 0.455 38.369 38.000 -0.143 0.000 1.379 696 I HN 0.631 nan 8.210 nan 0.000 0.460 697 T N -1.413 113.063 114.554 -0.130 0.000 2.847 697 T HA 0.346 4.697 4.350 0.002 0.000 0.279 697 T C 1.270 175.912 174.700 -0.096 0.000 0.984 697 T CA -0.446 61.588 62.100 -0.111 0.000 0.988 697 T CB 1.265 70.067 68.868 -0.109 0.000 1.040 697 T HN 0.054 nan 8.240 nan 0.000 0.528 698 I N 0.624 121.163 120.570 -0.051 0.000 2.208 698 I HA -0.173 3.998 4.170 0.002 0.000 0.245 698 I C 2.568 178.614 176.117 -0.119 0.000 1.097 698 I CA 1.495 62.769 61.300 -0.043 0.000 1.363 698 I CB -0.425 37.611 38.000 0.060 0.000 1.051 698 I HN 0.698 nan 8.210 nan 0.000 0.413 699 E N 0.856 120.986 120.200 -0.118 0.000 2.085 699 E HA -0.232 4.119 4.350 0.002 0.000 0.194 699 E C 1.770 178.293 176.600 -0.129 0.000 0.994 699 E CA 1.370 57.694 56.400 -0.127 0.000 0.801 699 E CB -0.350 29.289 29.700 -0.101 0.000 0.743 699 E HN 0.422 nan 8.360 nan 0.000 0.453 700 D N 0.086 120.410 120.400 -0.125 0.000 2.117 700 D HA -0.107 4.534 4.640 0.002 0.000 0.197 700 D C 1.847 178.040 176.300 -0.180 0.000 0.987 700 D CA 1.477 55.398 54.000 -0.131 0.000 0.829 700 D CB -0.406 40.322 40.800 -0.120 0.000 0.961 700 D HN 0.213 nan 8.370 nan 0.000 0.460 701 A N 0.806 123.495 122.820 -0.219 0.000 1.865 701 A HA -0.175 4.146 4.320 0.002 0.000 0.217 701 A C 2.376 179.699 177.584 -0.435 0.000 1.191 701 A CA 1.181 53.005 52.037 -0.355 0.000 0.623 701 A CB -0.822 17.972 19.000 -0.343 0.000 0.826 701 A HN 0.185 nan 8.150 nan 0.000 0.444 702 I N -0.226 120.184 120.570 -0.265 0.000 2.076 702 I HA -0.322 3.849 4.170 0.002 0.000 0.237 702 I C 2.498 178.561 176.117 -0.090 0.000 1.059 702 I CA 2.061 63.295 61.300 -0.111 0.000 1.317 702 I CB -0.388 37.542 38.000 -0.116 0.000 1.037 702 I HN 0.458 nan 8.210 nan 0.000 0.398 703 K N 1.205 121.547 120.400 -0.097 0.000 2.163 703 K HA -0.254 4.067 4.320 0.002 0.000 0.210 703 K C 1.350 177.904 176.600 -0.076 0.000 1.048 703 K CA 2.248 58.492 56.287 -0.070 0.000 0.928 703 K CB -0.275 32.183 32.500 -0.070 0.000 0.716 703 K HN 0.445 nan 8.250 nan 0.000 0.459 704 N N 0.598 119.219 118.700 -0.131 0.000 2.230 704 N HA -0.048 4.693 4.740 0.002 0.000 0.202 704 N C -0.539 174.873 175.510 -0.164 0.000 1.119 704 N CA 0.282 53.253 53.050 -0.132 0.000 0.851 704 N CB 0.141 38.539 38.487 -0.148 0.000 0.990 704 N HN 0.296 nan 8.380 nan 0.000 0.497 705 N N 1.240 119.829 118.700 -0.185 0.000 2.705 705 N HA -0.202 4.539 4.740 0.002 0.000 0.255 705 N C -1.097 174.199 175.510 -0.356 0.000 1.008 705 N CA 0.335 53.314 53.050 -0.118 0.000 0.742 705 N CB -0.974 37.576 38.487 0.104 0.000 0.906 705 N HN 0.048 nan 8.380 nan 0.000 0.541 706 S N 1.484 116.693 115.700 -0.817 0.000 2.475 706 S HA 0.613 5.084 4.470 0.002 0.000 0.249 706 S C -0.782 173.324 174.600 -0.822 0.000 1.298 706 S CA -0.615 57.212 58.200 -0.621 0.000 1.125 706 S CB -0.216 62.711 63.200 -0.454 0.000 1.054 706 S HN 0.322 nan 8.310 nan 0.000 0.484 707 F N 2.219 122.060 119.950 -0.181 0.000 2.611 707 F HA 0.500 5.028 4.527 0.001 0.000 0.324 707 F C -0.604 175.044 175.800 -0.253 0.000 1.061 707 F CA -1.239 56.651 58.000 -0.183 0.000 0.954 707 F CB 1.335 40.304 39.000 -0.051 0.000 1.301 707 F HN 0.314 nan 8.300 nan 0.000 0.482 708 Y N 1.128 121.544 120.300 0.194 0.000 2.367 708 Y HA 0.501 5.052 4.550 0.002 0.000 0.342 708 Y C 0.790 176.722 175.900 0.055 0.000 0.979 708 Y CA -0.214 57.932 58.100 0.077 0.000 1.161 708 Y CB 0.953 39.431 38.460 0.028 0.000 1.155 708 Y HN 0.885 nan 8.280 nan 0.000 0.503 709 G N 1.994 110.892 108.800 0.163 0.000 2.749 709 G HA2 -0.184 3.777 3.960 0.002 0.000 0.242 709 G HA3 -0.184 3.777 3.960 0.002 0.000 0.242 709 G C -0.169 174.751 174.900 0.033 0.000 1.364 709 G CA -0.320 44.818 45.100 0.063 0.000 0.888 709 G HN 0.945 nan 8.290 nan 0.000 0.566 710 S N -1.107 114.585 115.700 -0.013 0.000 2.758 710 S HA 0.653 5.124 4.470 0.002 0.000 0.292 710 S C 0.302 174.844 174.600 -0.097 0.000 1.131 710 S CA 0.359 58.520 58.200 -0.065 0.000 0.997 710 S CB 1.758 64.927 63.200 -0.053 0.000 1.111 710 S HN 1.083 nan 8.310 nan 0.000 0.552 711 E N 0.024 120.140 120.200 -0.140 0.000 2.465 711 E HA 0.102 4.453 4.350 0.002 0.000 0.260 711 E C -0.911 175.616 176.600 -0.123 0.000 0.980 711 E CA -0.016 56.290 56.400 -0.157 0.000 0.927 711 E CB 0.188 29.801 29.700 -0.144 0.000 0.934 711 E HN 0.478 nan 8.360 nan 0.000 0.459 712 L N 4.528 125.657 121.223 -0.157 0.000 2.357 712 L HA 0.445 4.786 4.340 0.002 0.000 0.273 712 L C 0.174 177.018 176.870 -0.043 0.000 1.080 712 L CA -0.171 54.566 54.840 -0.171 0.000 0.803 712 L CB 1.097 42.964 42.059 -0.319 0.000 1.174 712 L HN 0.482 nan 8.230 nan 0.000 0.443 713 K N 2.964 123.419 120.400 0.092 0.000 2.543 713 K HA 0.580 4.901 4.320 0.002 0.000 0.255 713 K C -1.770 174.990 176.600 0.266 0.000 0.934 713 K CA -0.499 55.880 56.287 0.153 0.000 0.810 713 K CB 1.898 34.456 32.500 0.097 0.000 1.315 713 K HN 0.455 nan 8.250 nan 0.000 0.433 714 I N 2.470 123.165 120.570 0.208 0.000 2.465 714 I HA 0.375 4.546 4.170 0.002 0.000 0.291 714 I C -0.830 175.402 176.117 0.191 0.000 1.014 714 I CA -0.642 60.787 61.300 0.215 0.000 1.093 714 I CB 2.132 40.286 38.000 0.257 0.000 1.267 714 I HN 0.613 nan 8.210 nan 0.000 0.431 715 E N 6.339 126.638 120.200 0.166 0.000 2.290 715 E HA 0.464 4.815 4.350 0.002 0.000 0.274 715 E C -1.532 175.137 176.600 0.114 0.000 0.889 715 E CA -0.806 55.670 56.400 0.127 0.000 0.760 715 E CB 2.506 32.263 29.700 0.096 0.000 1.206 715 E HN 0.528 nan 8.360 nan 0.000 0.419 716 K N 2.947 123.406 120.400 0.099 0.000 2.469 716 K HA 0.694 5.015 4.320 0.002 0.000 0.254 716 K C -0.099 176.523 176.600 0.036 0.000 0.939 716 K CA 0.209 56.540 56.287 0.073 0.000 0.812 716 K CB 1.701 34.257 32.500 0.092 0.000 1.301 716 K HN 0.712 nan 8.250 nan 0.000 0.433 717 G N 2.019 110.830 108.800 0.018 0.000 2.593 717 G HA2 -0.213 3.748 3.960 0.002 0.000 0.237 717 G HA3 -0.213 3.748 3.960 0.002 0.000 0.237 717 G C -1.323 173.573 174.900 -0.007 0.000 1.312 717 G CA -0.012 45.085 45.100 -0.005 0.000 0.896 717 G HN 0.710 nan 8.290 nan 0.000 0.574 718 D N 0.267 120.652 120.400 -0.025 0.000 2.549 718 D HA 0.455 5.096 4.640 0.002 0.000 0.251 718 D C 1.609 177.888 176.300 -0.035 0.000 1.153 718 D CA -0.587 53.403 54.000 -0.017 0.000 0.861 718 D CB 1.337 42.130 40.800 -0.011 0.000 1.207 718 D HN 0.290 nan 8.370 nan 0.000 0.543 719 L N 2.982 124.205 121.223 -0.000 0.000 1.948 719 L HA -0.078 4.263 4.340 0.002 0.000 0.212 719 L C 1.319 178.244 176.870 0.091 0.000 1.074 719 L CA 1.165 56.017 54.840 0.020 0.000 0.753 719 L CB -0.252 41.885 42.059 0.130 0.000 0.888 719 L HN 0.359 nan 8.230 nan 0.000 0.432 720 K N 0.643 121.125 120.400 0.136 0.000 2.395 720 K HA -0.107 4.214 4.320 0.002 0.000 0.283 720 K C 0.538 177.175 176.600 0.062 0.000 1.068 720 K CA 0.969 57.337 56.287 0.135 0.000 1.039 720 K CB 0.288 32.840 32.500 0.086 0.000 0.924 720 K HN 0.315 nan 8.250 nan 0.000 0.468 721 K N 1.849 122.281 120.400 0.054 0.000 2.056 721 K HA -0.132 4.189 4.320 0.002 0.000 0.434 721 K C 1.296 177.869 176.600 -0.044 0.000 0.380 721 K CA 0.784 57.073 56.287 0.003 0.000 1.928 721 K CB -1.666 30.828 32.500 -0.009 0.000 0.559 721 K HN 0.581 nan 8.250 nan 0.000 0.341 722 G N 0.829 109.560 108.800 -0.115 0.000 2.480 722 G HA2 -0.136 3.825 3.960 0.002 0.000 0.216 722 G HA3 -0.136 3.825 3.960 0.002 0.000 0.216 722 G C 1.230 175.999 174.900 -0.219 0.000 1.200 722 G CA 1.276 46.237 45.100 -0.232 0.000 0.782 722 G HN 0.252 nan 8.290 nan 0.000 0.554 723 F N 1.407 121.329 119.950 -0.046 0.000 2.216 723 F HA -0.078 4.450 4.527 0.002 0.000 0.300 723 F C 3.146 178.913 175.800 -0.054 0.000 1.085 723 F CA 1.067 59.035 58.000 -0.053 0.000 1.326 723 F CB 0.001 38.973 39.000 -0.047 0.000 1.027 723 F HN 0.081 nan 8.300 nan 0.000 0.497 724 S N -0.346 115.423 115.700 0.115 0.000 2.382 724 S HA -0.239 4.232 4.470 0.002 0.000 0.228 724 S C 1.860 176.466 174.600 0.010 0.000 1.027 724 S CA 1.506 59.734 58.200 0.047 0.000 0.991 724 S CB -0.310 62.907 63.200 0.028 0.000 0.823 724 S HN 0.365 nan 8.310 nan 0.000 0.469 725 E N 1.906 122.098 120.200 -0.013 0.000 2.204 725 E HA 0.110 4.461 4.350 0.002 0.000 0.194 725 E C 0.589 177.162 176.600 -0.045 0.000 0.989 725 E CA 0.570 56.949 56.400 -0.035 0.000 0.824 725 E CB -0.220 29.448 29.700 -0.053 0.000 0.756 725 E HN 0.440 nan 8.360 nan 0.000 0.477 726 A N 0.725 123.520 122.820 -0.042 0.000 2.425 726 A HA 0.088 4.410 4.320 0.002 0.000 0.249 726 A C 0.578 178.096 177.584 -0.111 0.000 1.084 726 A CA 0.008 51.997 52.037 -0.080 0.000 0.781 726 A CB 0.369 19.340 19.000 -0.048 0.000 1.019 726 A HN 0.181 nan 8.150 nan 0.000 0.490 727 D N 0.639 120.935 120.400 -0.174 0.000 2.110 727 D HA -0.017 4.624 4.640 0.002 0.000 0.202 727 D C 0.142 176.284 176.300 -0.263 0.000 0.975 727 D CA 1.361 55.251 54.000 -0.183 0.000 0.839 727 D CB 0.089 40.790 40.800 -0.166 0.000 0.996 727 D HN 0.651 nan 8.370 nan 0.000 0.464 728 N N -0.233 118.151 118.700 -0.527 0.000 2.292 728 N HA 0.368 5.109 4.740 0.002 0.000 0.303 728 N C -1.132 174.013 175.510 -0.609 0.000 1.140 728 N CA -0.447 52.232 53.050 -0.619 0.000 0.788 728 N CB 3.258 41.223 38.487 -0.870 0.000 1.361 728 N HN -0.255 nan 8.380 nan 0.000 0.489 729 V N 1.698 121.483 119.914 -0.215 0.000 2.447 729 V HA 0.276 4.397 4.120 0.002 0.000 0.292 729 V C -0.171 176.004 176.094 0.136 0.000 1.021 729 V CA -0.715 61.598 62.300 0.021 0.000 0.850 729 V CB 1.777 33.596 31.823 -0.006 0.000 1.005 729 V HN 0.361 nan 8.190 nan 0.000 0.426 730 V N 4.607 124.726 119.914 0.342 0.000 2.539 730 V HA 0.801 4.922 4.120 0.002 0.000 0.292 730 V C 0.267 176.441 176.094 0.134 0.000 1.045 730 V CA -0.116 62.341 62.300 0.261 0.000 0.945 730 V CB 2.032 34.066 31.823 0.353 0.000 0.993 730 V HN 1.012 nan 8.190 nan 0.000 0.464 731 S N 2.420 118.115 115.700 -0.008 0.000 2.564 731 S HA 0.997 5.468 4.470 0.002 0.000 0.274 731 S C -0.418 173.937 174.600 -0.409 0.000 1.124 731 S CA -0.010 58.053 58.200 -0.228 0.000 0.869 731 S CB 2.298 65.388 63.200 -0.183 0.000 1.105 731 S HN 1.437 nan 8.310 nan 0.000 0.472 732 G N 0.296 108.574 108.800 -0.869 0.000 2.428 732 G HA2 0.546 4.507 3.960 0.002 0.000 0.305 732 G HA3 0.546 4.507 3.960 0.002 0.000 0.305 732 G C -2.069 172.520 174.900 -0.519 0.000 1.260 732 G CA -0.488 44.240 45.100 -0.621 0.000 0.853 732 G HN 0.976 nan 8.290 nan 0.000 0.480 733 E N -0.965 119.188 120.200 -0.078 0.000 2.308 733 E HA 0.638 4.989 4.350 0.002 0.000 0.275 733 E C -2.059 174.741 176.600 0.334 0.000 0.890 733 E CA -0.708 55.789 56.400 0.161 0.000 0.754 733 E CB 2.530 32.293 29.700 0.105 0.000 1.207 733 E HN 0.479 nan 8.360 nan 0.000 0.426 734 L N 3.982 125.454 121.223 0.414 0.000 2.371 734 L HA 0.607 4.948 4.340 0.002 0.000 0.262 734 L C -1.929 175.212 176.870 0.452 0.000 1.006 734 L CA -0.704 54.385 54.840 0.415 0.000 0.818 734 L CB 1.935 44.222 42.059 0.381 0.000 1.354 734 L HN 0.666 nan 8.230 nan 0.000 0.415 735 Y N 3.923 124.403 120.300 0.300 0.000 2.477 735 Y HA 0.691 5.242 4.550 0.002 0.000 0.347 735 Y C -1.358 174.697 175.900 0.259 0.000 0.981 735 Y CA -1.008 57.253 58.100 0.268 0.000 1.033 735 Y CB 1.732 40.313 38.460 0.203 0.000 1.245 735 Y HN 0.588 nan 8.280 nan 0.000 0.455 736 I N 5.504 125.855 120.570 -0.365 0.000 2.447 736 I HA 0.684 4.855 4.170 0.002 0.000 0.287 736 I C 0.058 175.763 176.117 -0.686 0.000 1.023 736 I CA -0.540 60.506 61.300 -0.423 0.000 1.083 736 I CB 1.040 38.861 38.000 -0.298 0.000 1.245 736 I HN 0.847 nan 8.210 nan 0.000 0.434 737 G N 4.514 113.042 108.800 -0.453 0.000 2.664 737 G HA2 0.380 4.342 3.960 0.002 0.000 0.242 737 G HA3 0.380 4.342 3.960 0.002 0.000 0.242 737 G C 0.524 175.338 174.900 -0.144 0.000 1.225 737 G CA 0.115 45.099 45.100 -0.192 0.000 0.849 737 G HN 0.907 nan 8.290 nan 0.000 0.581 738 G N -1.227 107.574 108.800 0.001 0.000 2.522 738 G HA2 0.445 4.407 3.960 0.002 0.000 0.223 738 G HA3 0.445 4.407 3.960 0.002 0.000 0.223 738 G C 0.037 174.905 174.900 -0.053 0.000 1.565 738 G CA 0.270 45.371 45.100 0.003 0.000 1.053 738 G HN 0.806 nan 8.290 nan 0.000 0.547 739 Q N -1.456 118.342 119.800 -0.004 0.000 2.599 739 Q HA 0.170 4.511 4.340 0.002 0.000 0.248 739 Q C -2.311 173.772 176.000 0.138 0.000 0.964 739 Q CA -0.569 55.242 55.803 0.013 0.000 1.011 739 Q CB 1.687 30.205 28.738 -0.367 0.000 1.592 739 Q HN 0.603 nan 8.270 nan 0.000 0.443 740 D N 0.247 120.728 120.400 0.134 0.000 2.256 740 D HA 0.217 4.858 4.640 0.002 0.000 0.250 740 D C 0.677 177.066 176.300 0.148 0.000 1.093 740 D CA 0.061 54.035 54.000 -0.042 0.000 0.882 740 D CB 0.879 41.403 40.800 -0.459 0.000 1.185 740 D HN 0.572 nan 8.370 nan 0.000 0.437 741 H N 2.877 121.905 119.070 -0.070 0.000 2.387 741 H HA -0.064 4.493 4.556 0.002 0.000 0.299 741 H C 0.505 175.690 175.328 -0.239 0.000 1.099 741 H CA 1.108 56.890 56.048 -0.443 0.000 1.315 741 H CB -0.228 29.117 29.762 -0.695 0.000 1.380 741 H HN 0.510 nan 8.280 nan 0.000 0.513 742 F N 0.762 120.486 119.950 -0.377 0.000 2.970 742 F HA -0.282 4.246 4.527 0.002 0.000 0.251 742 F C -0.697 175.046 175.800 -0.095 0.000 0.993 742 F CA -0.521 57.342 58.000 -0.228 0.000 0.869 742 F CB -1.551 37.447 39.000 -0.003 0.000 0.762 742 F HN 0.148 nan 8.300 nan 0.000 0.817 743 Y N -0.167 120.276 120.300 0.238 0.000 2.526 743 Y HA 0.169 4.720 4.550 0.002 0.000 0.330 743 Y C 1.077 177.039 175.900 0.103 0.000 1.156 743 Y CA -1.378 56.898 58.100 0.294 0.000 1.419 743 Y CB 0.036 38.575 38.460 0.131 0.000 1.250 743 Y HN 0.089 nan 8.280 nan 0.000 0.540 744 L N 1.280 122.695 121.223 0.320 0.000 2.079 744 L HA -0.140 4.201 4.340 0.002 0.000 0.210 744 L C 1.149 178.060 176.870 0.068 0.000 1.081 744 L CA 1.570 56.515 54.840 0.175 0.000 0.752 744 L CB -0.672 41.479 42.059 0.154 0.000 0.896 744 L HN 0.874 nan 8.230 nan 0.000 0.433 745 E N 0.565 120.787 120.200 0.037 0.000 2.167 745 E HA 0.153 4.504 4.350 0.002 0.000 0.284 745 E C 0.053 176.623 176.600 -0.050 0.000 1.016 745 E CA -0.290 56.076 56.400 -0.056 0.000 0.817 745 E CB 1.064 30.674 29.700 -0.149 0.000 1.080 745 E HN 0.270 nan 8.360 nan 0.000 0.397 746 T N 1.591 116.130 114.554 -0.025 0.000 2.689 746 T HA 0.100 4.451 4.350 0.002 0.000 0.308 746 T C 0.673 175.248 174.700 -0.207 0.000 1.021 746 T CA -0.492 61.600 62.100 -0.014 0.000 0.973 746 T CB 0.320 69.237 68.868 0.083 0.000 1.113 746 T HN 0.456 nan 8.240 nan 0.000 0.522 747 H N -1.326 117.664 119.070 -0.133 0.000 2.771 747 H HA 0.417 4.975 4.556 0.002 0.000 0.364 747 H C -0.232 175.069 175.328 -0.045 0.000 1.133 747 H CA -0.015 55.954 56.048 -0.131 0.000 1.423 747 H CB 0.773 30.489 29.762 -0.077 0.000 1.425 747 H HN 0.679 nan 8.280 nan 0.000 0.606 748 C N 1.755 121.108 119.300 0.088 0.000 3.146 748 C HA 0.307 4.769 4.460 0.002 0.000 0.405 748 C C -0.965 174.070 174.990 0.075 0.000 1.012 748 C CA -0.236 58.824 59.018 0.070 0.000 1.217 748 C CB 0.946 28.707 27.740 0.034 0.000 1.599 748 C HN 0.891 nan 8.230 nan 0.000 0.567 749 T N 5.953 120.557 114.554 0.083 0.000 3.071 749 T HA 0.499 4.850 4.350 0.002 0.000 0.311 749 T C -0.976 173.780 174.700 0.093 0.000 1.042 749 T CA -0.201 61.952 62.100 0.088 0.000 1.028 749 T CB 0.958 69.869 68.868 0.072 0.000 1.068 749 T HN 0.545 nan 8.240 nan 0.000 0.451 750 I N 2.724 123.378 120.570 0.141 0.000 2.321 750 I HA 0.650 4.821 4.170 0.002 0.000 0.291 750 I C 0.294 176.527 176.117 0.194 0.000 0.998 750 I CA -0.819 60.575 61.300 0.157 0.000 1.227 750 I CB 1.330 39.441 38.000 0.185 0.000 1.368 750 I HN 0.675 nan 8.210 nan 0.000 0.466 751 A N 8.153 131.049 122.820 0.127 0.000 2.287 751 A HA 0.778 5.099 4.320 0.002 0.000 0.317 751 A C -0.548 177.105 177.584 0.115 0.000 1.220 751 A CA -0.441 51.658 52.037 0.103 0.000 0.835 751 A CB 0.436 19.476 19.000 0.067 0.000 1.180 751 A HN 0.698 nan 8.150 nan 0.000 0.500 752 I N 4.904 125.547 120.570 0.121 0.000 2.354 752 I HA 0.319 4.490 4.170 0.002 0.000 0.286 752 I C -2.295 173.840 176.117 0.030 0.000 1.007 752 I CA -2.135 59.222 61.300 0.095 0.000 1.167 752 I CB 2.226 40.339 38.000 0.188 0.000 1.320 752 I HN 0.420 nan 8.210 nan 0.000 0.458 753 P HA 0.189 nan 4.420 nan 0.000 0.287 753 P C -0.237 177.038 177.300 -0.040 0.000 1.281 753 P CA -0.587 62.512 63.100 -0.002 0.000 0.781 753 P CB 1.649 33.351 31.700 0.003 0.000 0.903 754 K N 2.338 122.722 120.400 -0.026 0.000 2.404 754 K HA 0.216 4.537 4.320 0.002 0.000 0.194 754 K C 1.624 178.198 176.600 -0.043 0.000 1.023 754 K CA 0.524 56.788 56.287 -0.038 0.000 1.094 754 K CB -0.885 31.604 32.500 -0.018 0.000 0.841 754 K HN 0.765 nan 8.250 nan 0.000 0.523 755 G N 0.676 109.451 108.800 -0.042 0.000 2.507 755 G HA2 -0.335 3.626 3.960 0.002 0.000 0.240 755 G HA3 -0.335 3.626 3.960 0.002 0.000 0.240 755 G C -0.142 174.743 174.900 -0.025 0.000 1.119 755 G CA 0.495 45.569 45.100 -0.044 0.000 0.664 755 G HN 0.451 nan 8.290 nan 0.000 0.516 756 E N 0.931 121.121 120.200 -0.017 0.000 2.216 756 E HA 0.530 4.881 4.350 0.002 0.000 0.279 756 E C 0.449 177.051 176.600 0.003 0.000 0.997 756 E CA -0.460 55.935 56.400 -0.008 0.000 0.817 756 E CB 0.960 30.654 29.700 -0.010 0.000 1.096 756 E HN 0.196 nan 8.360 nan 0.000 0.393 757 E N 1.230 121.435 120.200 0.009 0.000 3.065 757 E HA -0.275 4.076 4.350 0.002 0.000 0.277 757 E C 0.768 177.382 176.600 0.023 0.000 1.008 757 E CA 1.218 57.627 56.400 0.013 0.000 0.864 757 E CB -1.509 28.194 29.700 0.006 0.000 1.439 757 E HN 1.125 nan 8.360 nan 0.000 0.445 758 G N 0.009 108.832 108.800 0.039 0.000 2.168 758 G HA2 -0.366 3.595 3.960 0.002 0.000 0.263 758 G HA3 -0.366 3.595 3.960 0.002 0.000 0.263 758 G C 0.146 175.069 174.900 0.039 0.000 0.977 758 G CA 0.800 45.936 45.100 0.060 0.000 0.659 758 G HN 0.418 nan 8.290 nan 0.000 0.533 759 E N -0.572 119.639 120.200 0.019 0.000 2.404 759 E HA 0.548 4.899 4.350 0.002 0.000 0.261 759 E C 0.378 176.983 176.600 0.009 0.000 1.074 759 E CA 0.325 56.728 56.400 0.006 0.000 0.917 759 E CB 0.762 30.459 29.700 -0.003 0.000 0.965 759 E HN 0.428 nan 8.360 nan 0.000 0.433 760 M N 1.669 121.267 119.600 -0.004 0.000 2.365 760 M HA 0.177 4.658 4.480 0.002 0.000 0.288 760 M C -1.899 174.378 176.300 -0.038 0.000 1.152 760 M CA -0.354 54.943 55.300 -0.005 0.000 0.948 760 M CB 2.216 34.825 32.600 0.015 0.000 1.729 760 M HN 0.502 nan 8.290 nan 0.000 0.487 761 E N 3.909 124.082 120.200 -0.045 0.000 2.145 761 E HA 0.620 4.971 4.350 0.002 0.000 0.270 761 E C -1.995 174.494 176.600 -0.185 0.000 0.906 761 E CA -0.599 55.719 56.400 -0.136 0.000 0.761 761 E CB 1.350 30.989 29.700 -0.102 0.000 1.116 761 E HN 0.579 nan 8.360 nan 0.000 0.408 762 L N 4.230 125.268 121.223 -0.308 0.000 2.342 762 L HA 0.519 4.860 4.340 0.002 0.000 0.271 762 L C -1.035 175.534 176.870 -0.502 0.000 1.008 762 L CA -0.466 54.231 54.840 -0.238 0.000 0.818 762 L CB 1.222 43.224 42.059 -0.095 0.000 1.296 762 L HN 0.520 nan 8.230 nan 0.000 0.427 763 F N 2.526 122.482 119.950 0.010 0.000 2.445 763 F HA 0.666 5.194 4.527 0.002 0.000 0.348 763 F C -0.048 175.752 175.800 -0.000 0.000 1.125 763 F CA -0.950 57.051 58.000 0.002 0.000 0.983 763 F CB 1.811 40.814 39.000 0.005 0.000 1.198 763 F HN 0.198 nan 8.300 nan 0.000 0.436 764 V N 0.126 120.104 119.914 0.106 0.000 2.962 764 V HA 0.661 4.782 4.120 0.002 0.000 0.313 764 V C -0.452 175.660 176.094 0.031 0.000 1.099 764 V CA -0.729 61.609 62.300 0.062 0.000 0.971 764 V CB 1.991 33.831 31.823 0.028 0.000 1.028 764 V HN 0.604 nan 8.190 nan 0.000 0.430 765 S N 2.996 118.699 115.700 0.004 0.000 3.036 765 S HA 0.555 5.026 4.470 0.002 0.000 0.301 765 S C -0.120 174.416 174.600 -0.106 0.000 1.205 765 S CA 0.354 58.518 58.200 -0.060 0.000 0.999 765 S CB -1.021 62.117 63.200 -0.103 0.000 1.337 765 S HN 1.374 nan 8.310 nan 0.000 0.515 766 T N 3.069 117.574 114.554 -0.082 0.000 2.889 766 T HA 0.363 4.714 4.350 0.002 0.000 0.315 766 T C 0.117 174.771 174.700 -0.076 0.000 1.291 766 T CA -0.533 61.521 62.100 -0.076 0.000 1.028 766 T CB 1.681 70.526 68.868 -0.038 0.000 1.235 766 T HN 0.527 nan 8.240 nan 0.000 0.491 767 Q N 1.472 121.232 119.800 -0.067 0.000 2.319 767 Q HA 0.276 4.617 4.340 0.002 0.000 0.202 767 Q C 0.167 176.154 176.000 -0.023 0.000 0.896 767 Q CA -0.064 55.711 55.803 -0.047 0.000 0.942 767 Q CB 0.398 29.116 28.738 -0.034 0.000 1.083 767 Q HN 0.330 nan 8.270 nan 0.000 0.510 768 N N 0.228 118.906 118.700 -0.036 0.000 2.804 768 N HA 0.283 5.024 4.740 0.002 0.000 0.251 768 N C -0.183 175.279 175.510 -0.080 0.000 1.250 768 N CA -0.030 52.990 53.050 -0.049 0.000 0.820 768 N CB 1.061 39.516 38.487 -0.054 0.000 1.156 768 N HN 0.112 nan 8.380 nan 0.000 0.512 769 A N 3.392 126.169 122.820 -0.072 0.000 1.877 769 A HA -0.171 4.150 4.320 0.002 0.000 0.216 769 A C 2.117 179.639 177.584 -0.104 0.000 1.186 769 A CA 1.287 53.274 52.037 -0.084 0.000 0.620 769 A CB -0.410 18.542 19.000 -0.079 0.000 0.822 769 A HN 0.694 nan 8.150 nan 0.000 0.443 770 M N -1.081 118.458 119.600 -0.101 0.000 2.080 770 M HA -0.179 4.302 4.480 0.002 0.000 0.260 770 M C 1.738 177.916 176.300 -0.203 0.000 1.068 770 M CA 1.989 57.218 55.300 -0.119 0.000 1.109 770 M CB -0.207 32.340 32.600 -0.089 0.000 1.342 770 M HN 0.145 nan 8.290 nan 0.000 0.405 771 K N -0.014 120.217 120.400 -0.282 0.000 2.148 771 K HA -0.052 4.269 4.320 0.002 0.000 0.204 771 K C 1.891 178.148 176.600 -0.572 0.000 1.050 771 K CA 1.828 57.777 56.287 -0.563 0.000 0.942 771 K CB -0.808 31.324 32.500 -0.614 0.000 0.724 771 K HN 0.469 nan 8.250 nan 0.000 0.446 772 T N 1.586 115.966 114.554 -0.289 0.000 2.708 772 T HA -0.196 4.155 4.350 0.002 0.000 0.266 772 T C 1.941 176.575 174.700 -0.110 0.000 1.037 772 T CA 1.427 63.434 62.100 -0.155 0.000 1.146 772 T CB -0.133 68.681 68.868 -0.090 0.000 0.865 772 T HN 0.349 nan 8.240 nan 0.000 0.435 773 Q N 0.587 120.317 119.800 -0.118 0.000 2.077 773 Q HA -0.161 4.180 4.340 0.002 0.000 0.206 773 Q C 2.532 178.497 176.000 -0.059 0.000 0.989 773 Q CA 1.796 57.550 55.803 -0.081 0.000 0.853 773 Q CB -0.248 28.439 28.738 -0.084 0.000 0.907 773 Q HN 0.384 nan 8.270 nan 0.000 0.418 774 S N -0.243 115.396 115.700 -0.101 0.000 2.356 774 S HA -0.102 4.369 4.470 0.002 0.000 0.223 774 S C 1.513 176.197 174.600 0.140 0.000 1.032 774 S CA 1.099 59.282 58.200 -0.029 0.000 1.005 774 S CB -0.264 62.877 63.200 -0.099 0.000 0.867 774 S HN 0.390 nan 8.310 nan 0.000 0.449 775 F N 1.128 121.043 119.950 -0.058 0.000 2.259 775 F HA 0.043 4.571 4.527 0.002 0.000 0.298 775 F C 2.306 178.061 175.800 -0.075 0.000 1.088 775 F CA -0.217 57.743 58.000 -0.066 0.000 1.358 775 F CB -1.346 37.615 39.000 -0.065 0.000 1.040 775 F HN 0.028 nan 8.300 nan 0.000 0.505 776 V N 0.020 120.001 119.914 0.112 0.000 2.358 776 V HA -0.252 3.869 4.120 0.002 0.000 0.246 776 V C 2.634 178.727 176.094 -0.001 0.000 1.047 776 V CA 1.686 64.003 62.300 0.029 0.000 1.035 776 V CB -1.301 30.524 31.823 0.004 0.000 0.658 776 V HN 0.296 nan 8.190 nan 0.000 0.452 777 A N -0.337 122.488 122.820 0.008 0.000 1.898 777 A HA -0.230 4.091 4.320 0.002 0.000 0.216 777 A C 2.340 179.913 177.584 -0.018 0.000 1.181 777 A CA 2.051 54.081 52.037 -0.011 0.000 0.620 777 A CB -0.460 18.536 19.000 -0.007 0.000 0.819 777 A HN 0.499 nan 8.150 nan 0.000 0.442 778 K N -0.462 119.945 120.400 0.012 0.000 2.009 778 K HA -0.233 4.088 4.320 0.002 0.000 0.210 778 K C 2.163 178.732 176.600 -0.053 0.000 1.049 778 K CA 2.117 58.399 56.287 -0.008 0.000 0.929 778 K CB -0.308 32.203 32.500 0.018 0.000 0.714 778 K HN 0.540 nan 8.250 nan 0.000 0.440 779 M N 0.303 119.864 119.600 -0.066 0.000 2.213 779 M HA -0.103 4.378 4.480 0.002 0.000 0.263 779 M C 1.430 177.643 176.300 -0.146 0.000 1.062 779 M CA 1.704 56.938 55.300 -0.110 0.000 1.105 779 M CB -0.348 32.175 32.600 -0.128 0.000 1.385 779 M HN 0.116 nan 8.290 nan 0.000 0.417 780 L N 0.262 121.396 121.223 -0.150 0.000 2.341 780 L HA 0.287 4.628 4.340 0.002 0.000 0.214 780 L C 1.233 177.998 176.870 -0.175 0.000 1.115 780 L CA 0.456 55.156 54.840 -0.234 0.000 0.820 780 L CB -0.786 41.153 42.059 -0.199 0.000 0.944 780 L HN 0.737 nan 8.230 nan 0.000 0.452 781 G N 1.000 109.738 108.800 -0.103 0.000 2.326 781 G HA2 -0.191 3.770 3.960 0.002 0.000 0.286 781 G HA3 -0.191 3.770 3.960 0.002 0.000 0.286 781 G C -0.470 174.401 174.900 -0.049 0.000 1.096 781 G CA 0.114 45.174 45.100 -0.068 0.000 1.003 781 G HN 0.101 nan 8.290 nan 0.000 0.503 782 V N 0.578 120.468 119.914 -0.041 0.000 2.932 782 V HA 0.646 4.767 4.120 0.002 0.000 0.307 782 V C -2.111 173.971 176.094 -0.020 0.000 1.147 782 V CA -1.581 60.703 62.300 -0.026 0.000 0.951 782 V CB 2.641 34.448 31.823 -0.027 0.000 1.031 782 V HN 0.223 nan 8.190 nan 0.000 0.426 783 P HA 0.152 nan 4.420 nan 0.000 0.269 783 P C 0.894 178.184 177.300 -0.017 0.000 1.215 783 P CA -0.023 63.068 63.100 -0.015 0.000 0.780 783 P CB 0.692 32.384 31.700 -0.013 0.000 0.898 784 V N 1.290 121.193 119.914 -0.019 0.000 2.688 784 V HA -0.236 3.885 4.120 0.002 0.000 0.256 784 V C 1.801 177.880 176.094 -0.025 0.000 1.084 784 V CA 2.202 64.488 62.300 -0.024 0.000 1.103 784 V CB -1.337 30.470 31.823 -0.027 0.000 0.688 784 V HN 0.699 nan 8.190 nan 0.000 0.480 785 N N 0.011 118.699 118.700 -0.021 0.000 2.398 785 N HA -0.083 4.658 4.740 0.002 0.000 0.188 785 N C 1.523 177.022 175.510 -0.018 0.000 1.122 785 N CA 0.405 53.443 53.050 -0.020 0.000 0.866 785 N CB -0.244 38.233 38.487 -0.016 0.000 0.970 785 N HN 0.272 nan 8.380 nan 0.000 0.462 786 R N 0.158 120.648 120.500 -0.017 0.000 2.246 786 R HA 0.239 4.580 4.340 0.002 0.000 0.199 786 R C 0.067 176.353 176.300 -0.022 0.000 0.984 786 R CA 0.074 56.165 56.100 -0.015 0.000 1.015 786 R CB 0.167 30.463 30.300 -0.007 0.000 0.930 786 R HN 0.246 nan 8.270 nan 0.000 0.475 787 I N 2.205 122.757 120.570 -0.031 0.000 2.339 787 I HA 0.223 4.394 4.170 0.002 0.000 0.290 787 I C -0.372 175.709 176.117 -0.061 0.000 0.994 787 I CA -1.536 59.738 61.300 -0.043 0.000 1.191 787 I CB 1.244 39.221 38.000 -0.038 0.000 1.343 787 I HN -0.146 nan 8.210 nan 0.000 0.458 788 L N 8.860 130.033 121.223 -0.083 0.000 2.305 788 L HA 0.620 4.961 4.340 0.002 0.000 0.284 788 L C -0.860 175.910 176.870 -0.167 0.000 1.013 788 L CA -0.315 54.458 54.840 -0.111 0.000 0.819 788 L CB 1.650 43.643 42.059 -0.109 0.000 1.227 788 L HN 0.265 nan 8.230 nan 0.000 0.417 789 V N 5.927 125.749 119.914 -0.154 0.000 2.495 789 V HA 0.651 4.772 4.120 0.002 0.000 0.298 789 V C -0.132 175.853 176.094 -0.183 0.000 1.031 789 V CA -0.612 61.583 62.300 -0.176 0.000 0.871 789 V CB 1.715 33.465 31.823 -0.121 0.000 0.988 789 V HN 0.745 nan 8.190 nan 0.000 0.432 790 R N 3.102 123.460 120.500 -0.236 0.000 2.532 790 R HA 0.769 5.110 4.340 0.002 0.000 0.297 790 R C -1.717 174.551 176.300 -0.054 0.000 0.984 790 R CA -0.656 55.339 56.100 -0.176 0.000 0.884 790 R CB 2.558 32.679 30.300 -0.297 0.000 1.182 790 R HN 0.489 nan 8.270 nan 0.000 0.442 791 V N 3.876 123.778 119.914 -0.020 0.000 2.385 791 V HA 0.113 4.234 4.120 0.002 0.000 0.277 791 V C 0.590 176.690 176.094 0.011 0.000 1.012 791 V CA -0.672 61.630 62.300 0.003 0.000 0.832 791 V CB 1.285 33.088 31.823 -0.034 0.000 1.028 791 V HN 0.693 nan 8.190 nan 0.000 0.436 792 K N 4.682 125.104 120.400 0.036 0.000 1.967 792 K HA 0.081 4.402 4.320 0.002 0.000 0.212 792 K C 0.817 177.411 176.600 -0.010 0.000 1.044 792 K CA 1.662 57.950 56.287 0.001 0.000 0.942 792 K CB 0.207 32.700 32.500 -0.012 0.000 0.726 792 K HN 0.794 nan 8.250 nan 0.000 0.440 793 R N -1.699 118.777 120.500 -0.040 0.000 2.716 793 R HA 0.455 4.796 4.340 0.002 0.000 0.271 793 R C -1.202 175.098 176.300 0.001 0.000 1.028 793 R CA -0.887 55.186 56.100 -0.045 0.000 0.883 793 R CB 0.882 31.102 30.300 -0.135 0.000 1.250 793 R HN -0.010 nan 8.270 nan 0.000 0.465 794 M N 0.463 120.076 119.600 0.023 0.000 2.528 794 M HA 0.397 4.878 4.480 0.002 0.000 0.321 794 M C 0.521 176.914 176.300 0.154 0.000 1.153 794 M CA -0.753 54.575 55.300 0.047 0.000 0.951 794 M CB 2.414 34.958 32.600 -0.094 0.000 1.705 794 M HN 0.938 nan 8.290 nan 0.000 0.451 795 G N 1.531 110.421 108.800 0.150 0.000 3.197 795 G HA2 0.473 4.434 3.960 0.002 0.000 0.257 795 G HA3 0.473 4.434 3.960 0.002 0.000 0.257 795 G C 0.413 175.316 174.900 0.006 0.000 0.835 795 G CA 0.319 45.442 45.100 0.038 0.000 2.001 795 G HN 1.112 nan 8.290 nan 0.000 0.625 796 G N -1.168 107.582 108.800 -0.083 0.000 2.721 796 G HA2 0.337 4.298 3.960 0.002 0.000 0.686 796 G HA3 0.337 4.298 3.960 0.002 0.000 0.686 796 G C 0.591 175.292 174.900 -0.332 0.000 1.236 796 G CA -0.317 44.602 45.100 -0.301 0.000 0.786 796 G HN 1.263 nan 8.290 nan 0.000 0.616 797 G N -0.603 107.849 108.800 -0.580 0.000 2.448 797 G HA2 0.516 4.477 3.960 0.002 0.000 0.205 797 G HA3 0.516 4.477 3.960 0.002 0.000 0.205 797 G C 0.830 175.675 174.900 -0.091 0.000 1.409 797 G CA 0.822 45.748 45.100 -0.290 0.000 0.562 797 G HN 1.723 nan 8.290 nan 0.000 1.078 798 F N 1.039 121.003 119.950 0.024 0.000 3.105 798 F HA -0.191 4.337 4.527 0.002 0.000 0.280 798 F C 1.983 177.780 175.800 -0.005 0.000 0.894 798 F CA 0.955 58.971 58.000 0.027 0.000 0.992 798 F CB -1.544 37.460 39.000 0.007 0.000 1.047 798 F HN 1.008 nan 8.300 nan 0.000 0.607 799 G N -1.266 107.578 108.800 0.073 0.000 2.284 799 G HA2 -0.237 3.724 3.960 0.002 0.000 0.230 799 G HA3 -0.237 3.724 3.960 0.002 0.000 0.230 799 G C 1.220 176.092 174.900 -0.046 0.000 1.021 799 G CA 0.149 45.314 45.100 0.108 0.000 0.619 799 G HN 1.188 nan 8.290 nan 0.000 0.510 800 G N 0.173 108.646 108.800 -0.545 0.000 2.471 800 G HA2 0.084 4.046 3.960 0.002 0.000 0.219 800 G HA3 0.084 4.046 3.960 0.002 0.000 0.219 800 G C 1.253 176.079 174.900 -0.124 0.000 1.125 800 G CA 1.450 46.043 45.100 -0.845 0.000 0.775 800 G HN 0.536 nan 8.290 nan 0.000 0.548 801 K N -0.053 120.265 120.400 -0.137 0.000 2.437 801 K HA 0.187 4.508 4.320 0.002 0.000 0.205 801 K C 1.568 178.164 176.600 -0.006 0.000 1.026 801 K CA -0.103 56.147 56.287 -0.061 0.000 1.153 801 K CB 0.559 32.899 32.500 -0.266 0.000 0.863 801 K HN 0.378 nan 8.250 nan 0.000 0.502 802 E N 0.562 120.785 120.200 0.038 0.000 2.208 802 E HA -0.128 4.223 4.350 0.002 0.000 0.193 802 E C 1.100 177.747 176.600 0.078 0.000 0.988 802 E CA 1.676 58.120 56.400 0.073 0.000 0.828 802 E CB 0.426 30.206 29.700 0.133 0.000 0.763 802 E HN 0.297 nan 8.360 nan 0.000 0.478 803 T N -3.509 111.108 114.554 0.105 0.000 3.151 803 T HA 0.194 4.545 4.350 0.002 0.000 0.257 803 T C 1.438 176.210 174.700 0.120 0.000 0.872 803 T CA -0.611 61.554 62.100 0.108 0.000 0.873 803 T CB -0.105 68.856 68.868 0.156 0.000 1.272 803 T HN -0.087 nan 8.240 nan 0.000 0.543 804 R N 2.429 123.000 120.500 0.117 0.000 2.299 804 R HA 0.258 4.599 4.340 0.002 0.000 0.197 804 R C 2.545 178.807 176.300 -0.064 0.000 0.971 804 R CA 0.985 57.117 56.100 0.052 0.000 1.030 804 R CB -0.855 29.477 30.300 0.054 0.000 0.932 804 R HN 0.693 nan 8.270 nan 0.000 0.477 805 S N 0.649 116.392 115.700 0.072 0.000 2.419 805 S HA -0.144 4.327 4.470 0.002 0.000 0.233 805 S C 1.911 176.535 174.600 0.041 0.000 1.016 805 S CA 1.658 59.932 58.200 0.123 0.000 0.974 805 S CB -0.442 62.857 63.200 0.165 0.000 0.786 805 S HN 0.438 nan 8.310 nan 0.000 0.492 806 T N 0.267 114.858 114.554 0.061 0.000 3.072 806 T HA 0.179 4.530 4.350 0.002 0.000 0.266 806 T C 1.715 176.444 174.700 0.049 0.000 1.127 806 T CA 0.691 62.850 62.100 0.099 0.000 1.107 806 T CB -0.672 68.356 68.868 0.266 0.000 0.910 806 T HN 0.436 nan 8.240 nan 0.000 0.513 807 L N 0.326 121.546 121.223 -0.006 0.000 2.093 807 L HA 0.015 4.356 4.340 0.002 0.000 0.208 807 L C 2.770 179.618 176.870 -0.038 0.000 1.085 807 L CA 0.830 55.647 54.840 -0.038 0.000 0.755 807 L CB -0.513 41.517 42.059 -0.048 0.000 0.904 807 L HN 0.222 nan 8.230 nan 0.000 0.435 808 V N -1.503 118.393 119.914 -0.030 0.000 2.599 808 V HA -0.118 4.003 4.120 0.002 0.000 0.245 808 V C 2.493 178.601 176.094 0.022 0.000 1.046 808 V CA 1.254 63.562 62.300 0.012 0.000 1.065 808 V CB 0.449 32.293 31.823 0.035 0.000 0.703 808 V HN 0.293 nan 8.190 nan 0.000 0.464 809 S N 0.262 115.976 115.700 0.023 0.000 2.348 809 S HA -0.163 4.308 4.470 0.002 0.000 0.221 809 S C 2.058 176.663 174.600 0.009 0.000 1.033 809 S CA 1.572 59.789 58.200 0.027 0.000 1.010 809 S CB -0.181 63.038 63.200 0.032 0.000 0.891 809 S HN 0.355 nan 8.310 nan 0.000 0.442 810 V N 2.032 121.939 119.914 -0.012 0.000 2.343 810 V HA -0.203 3.918 4.120 0.002 0.000 0.247 810 V C 2.592 178.624 176.094 -0.103 0.000 1.051 810 V CA 1.724 63.990 62.300 -0.057 0.000 1.036 810 V CB -1.168 30.601 31.823 -0.090 0.000 0.654 810 V HN 0.537 nan 8.190 nan 0.000 0.451 811 A N -0.342 122.406 122.820 -0.119 0.000 1.930 811 A HA -0.132 4.189 4.320 0.002 0.000 0.217 811 A C 2.368 179.993 177.584 0.068 0.000 1.175 811 A CA 1.874 53.873 52.037 -0.063 0.000 0.627 811 A CB -0.587 18.414 19.000 0.002 0.000 0.815 811 A HN 0.343 nan 8.150 nan 0.000 0.443 812 V N -0.094 119.852 119.914 0.053 0.000 2.407 812 V HA -0.235 3.886 4.120 0.002 0.000 0.248 812 V C 3.031 179.161 176.094 0.060 0.000 1.055 812 V CA 1.803 64.141 62.300 0.062 0.000 1.049 812 V CB -1.207 30.650 31.823 0.057 0.000 0.662 812 V HN 0.609 nan 8.190 nan 0.000 0.455 813 A N -0.033 122.813 122.820 0.044 0.000 1.902 813 A HA -0.217 4.104 4.320 0.002 0.000 0.217 813 A C 2.180 179.813 177.584 0.083 0.000 1.181 813 A CA 2.126 54.192 52.037 0.049 0.000 0.623 813 A CB -0.617 18.395 19.000 0.018 0.000 0.818 813 A HN 0.453 nan 8.150 nan 0.000 0.443 814 L N -0.161 121.104 121.223 0.071 0.000 2.012 814 L HA -0.149 4.192 4.340 0.002 0.000 0.210 814 L C 2.693 179.671 176.870 0.181 0.000 1.073 814 L CA 2.361 57.278 54.840 0.129 0.000 0.748 814 L CB -0.696 41.451 42.059 0.146 0.000 0.891 814 L HN 0.356 nan 8.230 nan 0.000 0.431 815 A N -0.760 122.137 122.820 0.129 0.000 1.933 815 A HA -0.080 4.241 4.320 0.002 0.000 0.218 815 A C 2.434 180.067 177.584 0.081 0.000 1.175 815 A CA 1.755 53.842 52.037 0.084 0.000 0.628 815 A CB -1.117 17.912 19.000 0.049 0.000 0.814 815 A HN 0.593 nan 8.150 nan 0.000 0.444 816 A N -1.029 121.849 122.820 0.097 0.000 1.845 816 A HA -0.127 4.194 4.320 0.002 0.000 0.215 816 A C 2.137 179.782 177.584 0.101 0.000 1.195 816 A CA 1.722 53.813 52.037 0.089 0.000 0.616 816 A CB -1.076 17.973 19.000 0.082 0.000 0.832 816 A HN 0.780 nan 8.150 nan 0.000 0.443 817 Y N 0.572 120.882 120.300 0.017 0.000 2.069 817 Y HA -0.278 4.274 4.550 0.002 0.000 0.278 817 Y C 2.394 178.305 175.900 0.018 0.000 1.175 817 Y CA 2.658 60.767 58.100 0.014 0.000 1.134 817 Y CB -0.155 38.312 38.460 0.012 0.000 0.965 817 Y HN 0.200 nan 8.280 nan 0.000 0.498 818 K N -0.494 119.937 120.400 0.051 0.000 2.148 818 K HA -0.121 4.200 4.320 0.002 0.000 0.204 818 K C 1.864 178.397 176.600 -0.112 0.000 1.050 818 K CA 1.844 58.094 56.287 -0.062 0.000 0.942 818 K CB -0.353 32.212 32.500 0.108 0.000 0.724 818 K HN 0.635 nan 8.250 nan 0.000 0.446 819 T N -4.632 109.893 114.554 -0.050 0.000 3.014 819 T HA 0.182 4.533 4.350 0.002 0.000 0.250 819 T C 1.319 176.077 174.700 0.097 0.000 1.060 819 T CA 0.816 62.907 62.100 -0.016 0.000 1.040 819 T CB 0.488 69.319 68.868 -0.062 0.000 0.971 819 T HN 0.270 nan 8.240 nan 0.000 0.497 820 G N 1.170 109.987 108.800 0.029 0.000 2.184 820 G HA2 -0.236 3.725 3.960 0.002 0.000 0.264 820 G HA3 -0.236 3.725 3.960 0.002 0.000 0.264 820 G C -0.133 174.785 174.900 0.030 0.000 0.975 820 G CA 0.440 45.547 45.100 0.011 0.000 0.642 820 G HN 0.764 nan 8.290 nan 0.000 0.536 821 H N 0.804 119.835 119.070 -0.065 0.000 2.502 821 H HA 0.544 5.101 4.556 0.002 0.000 0.338 821 H C -2.263 173.034 175.328 -0.053 0.000 1.155 821 H CA -2.060 53.951 56.048 -0.062 0.000 1.237 821 H CB 0.946 30.682 29.762 -0.043 0.000 1.534 821 H HN 0.008 nan 8.280 nan 0.000 0.523 822 P HA -0.049 nan 4.420 nan 0.000 0.260 822 P C -0.802 176.521 177.300 0.039 0.000 1.172 822 P CA 0.427 63.562 63.100 0.058 0.000 0.760 822 P CB 0.347 32.114 31.700 0.112 0.000 0.773 823 V N 4.853 124.775 119.914 0.014 0.000 2.735 823 V HA 0.639 4.760 4.120 0.002 0.000 0.310 823 V C 0.379 176.429 176.094 -0.074 0.000 1.061 823 V CA -0.660 61.608 62.300 -0.054 0.000 0.913 823 V CB 2.086 33.904 31.823 -0.007 0.000 1.005 823 V HN 0.568 nan 8.190 nan 0.000 0.428 824 R N 2.019 122.406 120.500 -0.188 0.000 2.888 824 R HA 0.942 5.283 4.340 0.002 0.000 0.264 824 R C -1.323 174.974 176.300 -0.006 0.000 1.045 824 R CA -0.636 55.404 56.100 -0.100 0.000 0.962 824 R CB 1.870 32.084 30.300 -0.145 0.000 1.210 824 R HN 0.732 nan 8.270 nan 0.000 0.479 825 C N 2.223 121.565 119.300 0.070 0.000 2.891 825 C HA 0.683 5.144 4.460 0.002 0.000 0.342 825 C C -1.213 173.851 174.990 0.124 0.000 1.126 825 C CA -0.649 58.447 59.018 0.131 0.000 1.322 825 C CB 1.512 29.325 27.740 0.122 0.000 1.763 825 C HN 1.022 nan 8.230 nan 0.000 0.491 826 M N 6.717 126.400 119.600 0.139 0.000 2.263 826 M HA 0.586 5.067 4.480 0.002 0.000 0.295 826 M C -1.443 174.921 176.300 0.108 0.000 1.028 826 M CA -0.523 54.843 55.300 0.109 0.000 0.921 826 M CB 1.289 33.946 32.600 0.095 0.000 1.601 826 M HN 0.732 nan 8.290 nan 0.000 0.440 827 L N 3.287 124.575 121.223 0.109 0.000 2.452 827 L HA 0.244 4.585 4.340 0.002 0.000 0.267 827 L C 0.253 177.172 176.870 0.083 0.000 1.188 827 L CA -0.332 54.571 54.840 0.106 0.000 0.821 827 L CB 0.220 42.354 42.059 0.126 0.000 1.102 827 L HN 0.661 nan 8.230 nan 0.000 0.470 828 D N 0.627 121.071 120.400 0.074 0.000 2.313 828 D HA 0.058 4.699 4.640 0.002 0.000 0.247 828 D C 0.944 177.270 176.300 0.044 0.000 1.094 828 D CA -0.289 53.743 54.000 0.053 0.000 0.925 828 D CB 1.349 42.180 40.800 0.051 0.000 1.188 828 D HN 0.366 nan 8.370 nan 0.000 0.430 829 R N 1.868 122.377 120.500 0.015 0.000 2.134 829 R HA -0.242 4.099 4.340 0.002 0.000 0.248 829 R C 1.731 178.031 176.300 -0.000 0.000 1.143 829 R CA 2.107 58.189 56.100 -0.030 0.000 0.957 829 R CB -0.176 30.099 30.300 -0.040 0.000 0.867 829 R HN 0.545 nan 8.270 nan 0.000 0.441 830 N N 0.085 118.805 118.700 0.033 0.000 2.270 830 N HA -0.170 4.571 4.740 0.002 0.000 0.181 830 N C 1.210 176.754 175.510 0.056 0.000 1.016 830 N CA 1.652 54.729 53.050 0.045 0.000 0.870 830 N CB -0.386 38.136 38.487 0.057 0.000 0.979 830 N HN 0.456 nan 8.380 nan 0.000 0.431 831 E N 0.410 120.651 120.200 0.068 0.000 2.077 831 E HA -0.174 4.177 4.350 0.002 0.000 0.193 831 E C 1.358 178.011 176.600 0.087 0.000 0.989 831 E CA 1.060 57.511 56.400 0.085 0.000 0.800 831 E CB -0.088 29.669 29.700 0.094 0.000 0.746 831 E HN 0.423 nan 8.360 nan 0.000 0.452 832 D N 0.381 120.837 120.400 0.093 0.000 2.117 832 D HA -0.128 4.513 4.640 0.002 0.000 0.198 832 D C 1.956 178.321 176.300 0.108 0.000 0.982 832 D CA 0.967 55.051 54.000 0.140 0.000 0.828 832 D CB 0.095 41.010 40.800 0.192 0.000 0.967 832 D HN 0.162 nan 8.370 nan 0.000 0.464 833 M N -0.112 119.510 119.600 0.036 0.000 2.254 833 M HA -0.117 4.364 4.480 0.002 0.000 0.265 833 M C 2.206 178.521 176.300 0.025 0.000 1.066 833 M CA 0.516 55.810 55.300 -0.009 0.000 1.123 833 M CB 0.081 32.639 32.600 -0.071 0.000 1.388 833 M HN 0.049 nan 8.290 nan 0.000 0.425 834 L N 0.211 121.463 121.223 0.050 0.000 2.068 834 L HA -0.048 4.293 4.340 0.002 0.000 0.204 834 L C 1.915 178.840 176.870 0.091 0.000 1.076 834 L CA 1.771 56.654 54.840 0.072 0.000 0.753 834 L CB -0.153 41.953 42.059 0.078 0.000 0.910 834 L HN 0.163 nan 8.230 nan 0.000 0.439 835 I N -1.130 119.494 120.570 0.089 0.000 2.429 835 I HA -0.149 4.022 4.170 0.002 0.000 0.247 835 I C 2.252 178.411 176.117 0.070 0.000 1.099 835 I CA 1.242 62.592 61.300 0.084 0.000 1.422 835 I CB -0.376 37.670 38.000 0.077 0.000 1.112 835 I HN 0.393 nan 8.210 nan 0.000 0.430 836 T N -1.023 113.578 114.554 0.079 0.000 3.072 836 T HA 0.249 4.600 4.350 0.002 0.000 0.266 836 T C 1.089 175.884 174.700 0.158 0.000 1.127 836 T CA 0.465 62.613 62.100 0.080 0.000 1.107 836 T CB -0.518 68.443 68.868 0.156 0.000 0.910 836 T HN 0.551 nan 8.240 nan 0.000 0.513 837 G N -0.678 108.215 108.800 0.156 0.000 2.814 837 G HA2 0.360 4.321 3.960 0.002 0.000 0.677 837 G HA3 0.360 4.321 3.960 0.002 0.000 0.677 837 G C -0.069 174.977 174.900 0.243 0.000 1.429 837 G CA -0.583 44.615 45.100 0.163 0.000 0.868 837 G HN 1.231 nan 8.290 nan 0.000 0.553 838 G N -0.843 108.062 108.800 0.175 0.000 2.947 838 G HA2 0.798 4.759 3.960 0.002 0.000 0.293 838 G HA3 0.798 4.759 3.960 0.002 0.000 0.293 838 G C 0.034 175.028 174.900 0.157 0.000 1.243 838 G CA 0.128 45.299 45.100 0.119 0.000 0.802 838 G HN 1.009 nan 8.290 nan 0.000 0.560 839 R N -0.039 120.583 120.500 0.203 0.000 2.734 839 R HA 0.116 4.457 4.340 0.002 0.000 0.266 839 R C -0.351 176.010 176.300 0.102 0.000 1.044 839 R CA -0.274 55.945 56.100 0.197 0.000 1.128 839 R CB 0.038 30.319 30.300 -0.032 0.000 1.010 839 R HN 0.568 nan 8.270 nan 0.000 0.461 840 H N 4.368 123.534 119.070 0.160 0.000 3.017 840 H HA 0.104 4.661 4.556 0.002 0.000 0.276 840 H C -1.917 173.573 175.328 0.270 0.000 1.062 840 H CA -1.513 54.673 56.048 0.230 0.000 1.486 840 H CB 0.641 30.604 29.762 0.336 0.000 1.507 840 H HN 0.433 nan 8.280 nan 0.000 0.508 841 P HA 0.013 nan 4.420 nan 0.000 0.269 841 P C -0.606 176.886 177.300 0.320 0.000 1.209 841 P CA 0.547 63.728 63.100 0.136 0.000 0.776 841 P CB 0.435 32.197 31.700 0.105 0.000 0.876 842 F N 1.631 121.527 119.950 -0.091 0.000 2.551 842 F HA 0.515 5.043 4.527 0.002 0.000 0.316 842 F C -0.266 175.626 175.800 0.153 0.000 1.089 842 F CA -1.036 57.017 58.000 0.089 0.000 0.915 842 F CB 1.747 40.815 39.000 0.114 0.000 1.186 842 F HN 0.076 nan 8.300 nan 0.000 0.456 843 L N 3.641 125.094 121.223 0.384 0.000 2.333 843 L HA 0.855 5.196 4.340 0.002 0.000 0.280 843 L C -1.027 176.104 176.870 0.434 0.000 1.004 843 L CA -0.228 54.882 54.840 0.450 0.000 0.820 843 L CB 1.404 43.699 42.059 0.393 0.000 1.247 843 L HN 0.617 nan 8.230 nan 0.000 0.416 844 A N 5.261 128.320 122.820 0.399 0.000 2.331 844 A HA 0.823 5.144 4.320 0.002 0.000 0.320 844 A C -0.628 177.154 177.584 0.331 0.000 1.138 844 A CA -0.689 51.534 52.037 0.311 0.000 0.790 844 A CB 0.850 19.993 19.000 0.239 0.000 1.206 844 A HN 0.755 nan 8.150 nan 0.000 0.470 845 R N 1.255 121.911 120.500 0.260 0.000 2.295 845 R HA 0.564 4.905 4.340 0.002 0.000 0.324 845 R C -1.278 175.114 176.300 0.154 0.000 0.968 845 R CA -0.255 55.949 56.100 0.173 0.000 0.837 845 R CB 1.189 31.578 30.300 0.150 0.000 1.133 845 R HN 0.802 nan 8.270 nan 0.000 0.450 846 Y N -0.813 119.521 120.300 0.055 0.000 2.581 846 Y HA 0.672 5.223 4.550 0.002 0.000 0.345 846 Y C -1.107 174.796 175.900 0.005 0.000 1.036 846 Y CA -1.362 56.752 58.100 0.023 0.000 1.042 846 Y CB 1.944 40.449 38.460 0.074 0.000 1.289 846 Y HN 0.278 nan 8.280 nan 0.000 0.471 847 K N 2.571 123.025 120.400 0.091 0.000 2.619 847 K HA 0.610 4.931 4.320 0.002 0.000 0.251 847 K C -2.237 174.449 176.600 0.142 0.000 0.987 847 K CA -0.636 55.676 56.287 0.042 0.000 0.844 847 K CB 2.141 34.606 32.500 -0.059 0.000 1.237 847 K HN 0.736 nan 8.250 nan 0.000 0.447 848 V N 1.129 121.137 119.914 0.156 0.000 2.667 848 V HA 0.767 4.888 4.120 0.002 0.000 0.308 848 V C 0.356 176.671 176.094 0.369 0.000 1.048 848 V CA -0.953 61.391 62.300 0.073 0.000 0.928 848 V CB 1.757 33.503 31.823 -0.129 0.000 1.004 848 V HN 0.831 nan 8.190 nan 0.000 0.444 849 G N 2.872 111.827 108.800 0.258 0.000 2.557 849 G HA2 0.796 4.757 3.960 0.002 0.000 0.310 849 G HA3 0.796 4.757 3.960 0.002 0.000 0.310 849 G C -1.197 173.799 174.900 0.160 0.000 1.328 849 G CA -0.461 44.761 45.100 0.203 0.000 0.945 849 G HN 0.813 nan 8.290 nan 0.000 0.494 850 F N 0.618 120.549 119.950 -0.031 0.000 2.715 850 F HA 0.796 5.324 4.527 0.002 0.000 0.318 850 F C -0.462 175.325 175.800 -0.022 0.000 1.141 850 F CA -1.814 56.158 58.000 -0.045 0.000 0.950 850 F CB 1.353 40.335 39.000 -0.030 0.000 1.374 850 F HN 0.230 nan 8.300 nan 0.000 0.477 851 M N 0.922 120.582 119.600 0.100 0.000 2.513 851 M HA 0.380 4.861 4.480 0.002 0.000 0.291 851 M C 0.671 177.020 176.300 0.082 0.000 1.190 851 M CA -0.602 54.703 55.300 0.009 0.000 0.960 851 M CB 1.394 34.008 32.600 0.024 0.000 1.517 851 M HN 0.805 nan 8.290 nan 0.000 0.499 852 K N -0.109 120.312 120.400 0.034 0.000 2.515 852 K HA -0.027 4.294 4.320 0.002 0.000 0.196 852 K C 1.493 178.148 176.600 0.092 0.000 1.038 852 K CA 0.872 57.202 56.287 0.072 0.000 0.967 852 K CB -0.161 32.358 32.500 0.031 0.000 0.780 852 K HN 0.654 nan 8.250 nan 0.000 0.483 853 T N -0.633 113.970 114.554 0.082 0.000 2.995 853 T HA -0.006 4.345 4.350 0.002 0.000 0.269 853 T C 1.353 176.108 174.700 0.092 0.000 1.091 853 T CA 1.032 63.176 62.100 0.073 0.000 1.128 853 T CB 0.068 68.965 68.868 0.048 0.000 0.891 853 T HN 0.484 nan 8.240 nan 0.000 0.492 854 G N 1.415 110.301 108.800 0.144 0.000 2.157 854 G HA2 -0.238 3.724 3.960 0.002 0.000 0.239 854 G HA3 -0.238 3.724 3.960 0.002 0.000 0.239 854 G C 0.251 175.191 174.900 0.067 0.000 0.982 854 G CA 0.071 45.241 45.100 0.116 0.000 0.650 854 G HN 0.506 nan 8.290 nan 0.000 0.527 855 T N 1.706 116.306 114.554 0.078 0.000 2.737 855 T HA 0.522 4.873 4.350 0.002 0.000 0.296 855 T C 0.755 175.486 174.700 0.052 0.000 0.922 855 T CA -0.046 62.069 62.100 0.024 0.000 1.079 855 T CB 1.217 70.087 68.868 0.003 0.000 0.892 855 T HN 0.279 nan 8.240 nan 0.000 0.514 856 I N 3.901 124.471 120.570 0.000 0.000 2.588 856 I HA 0.038 4.209 4.170 0.002 0.000 0.283 856 I C 1.116 177.194 176.117 -0.064 0.000 1.119 856 I CA 0.588 61.880 61.300 -0.013 0.000 1.419 856 I CB 1.109 39.066 38.000 -0.073 0.000 1.394 856 I HN 0.465 nan 8.210 nan 0.000 0.562 857 V N 4.520 124.375 119.914 -0.098 0.000 3.431 857 V HA 0.503 4.624 4.120 0.002 0.000 0.255 857 V C 0.242 176.178 176.094 -0.263 0.000 1.403 857 V CA 0.394 62.605 62.300 -0.149 0.000 1.101 857 V CB 0.356 32.107 31.823 -0.120 0.000 0.891 857 V HN 0.781 nan 8.190 nan 0.000 0.446 858 A N 0.876 123.470 122.820 -0.377 0.000 2.488 858 A HA 0.835 5.156 4.320 0.002 0.000 0.298 858 A C -1.938 175.331 177.584 -0.526 0.000 1.044 858 A CA -0.314 51.337 52.037 -0.644 0.000 0.693 858 A CB 2.269 20.404 19.000 -1.441 0.000 1.272 858 A HN 0.202 nan 8.150 nan 0.000 0.402 859 L N 1.014 122.005 121.223 -0.386 0.000 2.436 859 L HA 0.793 5.134 4.340 0.002 0.000 0.268 859 L C -0.611 176.218 176.870 -0.069 0.000 0.974 859 L CA -0.026 54.644 54.840 -0.285 0.000 0.826 859 L CB 1.954 43.768 42.059 -0.408 0.000 1.291 859 L HN 0.817 nan 8.230 nan 0.000 0.406 860 E N 3.921 124.151 120.200 0.050 0.000 2.246 860 E HA 0.713 5.064 4.350 0.002 0.000 0.266 860 E C -2.056 174.588 176.600 0.074 0.000 0.880 860 E CA -0.665 55.799 56.400 0.106 0.000 0.762 860 E CB 1.991 31.812 29.700 0.202 0.000 1.180 860 E HN 0.491 nan 8.360 nan 0.000 0.416 861 V N 3.852 123.807 119.914 0.069 0.000 2.612 861 V HA 0.280 4.401 4.120 0.002 0.000 0.301 861 V C -1.150 174.916 176.094 -0.046 0.000 1.059 861 V CA -1.043 61.270 62.300 0.020 0.000 0.886 861 V CB 1.944 33.770 31.823 0.005 0.000 1.007 861 V HN 0.704 nan 8.190 nan 0.000 0.426 862 D N 2.825 123.184 120.400 -0.069 0.000 2.329 862 D HA 0.460 5.101 4.640 0.002 0.000 0.232 862 D C -0.391 175.779 176.300 -0.215 0.000 1.088 862 D CA -0.150 53.787 54.000 -0.106 0.000 0.835 862 D CB 1.077 41.865 40.800 -0.021 0.000 1.078 862 D HN 0.600 nan 8.370 nan 0.000 0.495 863 H N 1.207 120.173 119.070 -0.173 0.000 2.472 863 H HA 0.415 4.972 4.556 0.002 0.000 0.335 863 H C -0.711 174.330 175.328 -0.480 0.000 1.136 863 H CA -0.282 55.701 56.048 -0.110 0.000 1.264 863 H CB 0.815 30.613 29.762 0.060 0.000 1.486 863 H HN 0.314 nan 8.280 nan 0.000 0.517 864 Y N 0.448 120.736 120.300 -0.021 0.000 2.331 864 Y HA 0.297 4.848 4.550 0.001 0.000 0.326 864 Y C -0.167 175.498 175.900 -0.392 0.000 1.020 864 Y CA -0.922 57.115 58.100 -0.105 0.000 1.136 864 Y CB 1.664 40.150 38.460 0.044 0.000 1.157 864 Y HN 0.694 nan 8.280 nan 0.000 0.444 865 S N 1.331 116.797 115.700 -0.390 0.000 2.654 865 S HA 0.382 4.853 4.470 0.002 0.000 0.283 865 S C -0.424 174.197 174.600 0.035 0.000 1.180 865 S CA -0.899 57.052 58.200 -0.415 0.000 1.021 865 S CB 1.502 64.454 63.200 -0.414 0.000 1.018 865 S HN 0.639 nan 8.310 nan 0.000 0.532 866 N N 0.779 119.560 118.700 0.135 0.000 2.678 866 N HA 0.364 5.105 4.740 0.002 0.000 0.231 866 N C 0.792 176.394 175.510 0.154 0.000 1.038 866 N CA -0.244 52.881 53.050 0.124 0.000 0.932 866 N CB 0.934 39.474 38.487 0.089 0.000 1.176 866 N HN 0.744 nan 8.380 nan 0.000 0.511 867 A N 2.460 125.420 122.820 0.233 0.000 1.969 867 A HA 0.266 4.587 4.320 0.002 0.000 0.218 867 A C 1.304 178.996 177.584 0.180 0.000 1.169 867 A CA 1.413 53.642 52.037 0.320 0.000 0.635 867 A CB -0.904 18.388 19.000 0.487 0.000 0.810 867 A HN 0.912 nan 8.150 nan 0.000 0.445 868 G N -0.011 108.863 108.800 0.124 0.000 2.542 868 G HA2 -0.260 3.701 3.960 0.002 0.000 0.235 868 G HA3 -0.260 3.701 3.960 0.002 0.000 0.235 868 G C 0.165 175.155 174.900 0.149 0.000 1.286 868 G CA 0.443 45.582 45.100 0.065 0.000 0.904 868 G HN 1.187 nan 8.290 nan 0.000 0.577 869 N N 0.426 119.173 118.700 0.078 0.000 2.268 869 N HA 0.354 5.095 4.740 0.002 0.000 0.204 869 N C 0.476 176.062 175.510 0.126 0.000 1.124 869 N CA 1.164 54.259 53.050 0.074 0.000 0.838 869 N CB 0.218 38.656 38.487 -0.082 0.000 0.994 869 N HN 1.737 nan 8.380 nan 0.000 0.489 870 S N -1.513 114.250 115.700 0.105 0.000 2.596 870 S HA 0.498 4.969 4.470 0.002 0.000 0.270 870 S C 0.445 174.814 174.600 -0.384 0.000 1.155 870 S CA -0.874 57.275 58.200 -0.085 0.000 0.827 870 S CB 2.044 65.227 63.200 -0.029 0.000 1.130 870 S HN -0.031 nan 8.310 nan 0.000 0.467 871 R N 0.945 121.069 120.500 -0.626 0.000 2.070 871 R HA 0.046 4.387 4.340 0.002 0.000 0.232 871 R C 1.027 177.310 176.300 -0.030 0.000 1.138 871 R CA 1.913 57.699 56.100 -0.525 0.000 0.936 871 R CB -0.838 29.196 30.300 -0.443 0.000 0.839 871 R HN 0.929 nan 8.270 nan 0.000 0.429 872 D N -1.467 119.031 120.400 0.164 0.000 3.740 872 D HA -0.294 4.347 4.640 0.002 0.000 0.147 872 D C 0.310 176.832 176.300 0.372 0.000 0.885 872 D CA 2.276 56.437 54.000 0.268 0.000 1.051 872 D CB -0.922 40.007 40.800 0.215 0.000 0.480 872 D HN 0.119 nan 8.370 nan 0.000 0.469 873 L N 0.189 121.605 121.223 0.321 0.000 2.667 873 L HA 0.249 4.590 4.340 0.002 0.000 0.232 873 L C 2.051 179.010 176.870 0.148 0.000 1.138 873 L CA 0.229 55.272 54.840 0.339 0.000 0.921 873 L CB 0.074 42.400 42.059 0.445 0.000 1.180 873 L HN 0.172 nan 8.230 nan 0.000 0.487 874 S N -0.424 115.335 115.700 0.099 0.000 2.374 874 S HA -0.298 4.173 4.470 0.002 0.000 0.227 874 S C 1.857 176.400 174.600 -0.094 0.000 1.037 874 S CA 1.816 59.962 58.200 -0.089 0.000 1.024 874 S CB -0.310 62.932 63.200 0.070 0.000 0.861 874 S HN 0.569 nan 8.310 nan 0.000 0.456 875 H N 1.212 120.236 119.070 -0.077 0.000 2.319 875 H HA -0.033 4.524 4.556 0.002 0.000 0.299 875 H C 2.243 177.536 175.328 -0.059 0.000 1.092 875 H CA 1.975 57.967 56.048 -0.094 0.000 1.302 875 H CB -0.337 29.353 29.762 -0.120 0.000 1.373 875 H HN 0.244 nan 8.280 nan 0.000 0.497 876 S N -0.670 115.105 115.700 0.126 0.000 2.402 876 S HA -0.061 4.410 4.470 0.002 0.000 0.229 876 S C 2.194 176.786 174.600 -0.015 0.000 1.021 876 S CA 1.113 59.443 58.200 0.218 0.000 0.974 876 S CB -0.119 63.399 63.200 0.529 0.000 0.800 876 S HN 0.361 nan 8.310 nan 0.000 0.484 877 I N 0.756 121.051 120.570 -0.457 0.000 2.315 877 I HA -0.171 4.000 4.170 0.002 0.000 0.248 877 I C 2.369 178.327 176.117 -0.265 0.000 1.117 877 I CA 0.965 61.842 61.300 -0.706 0.000 1.404 877 I CB -0.193 37.297 38.000 -0.849 0.000 1.071 877 I HN 0.279 nan 8.210 nan 0.000 0.419 878 M N 0.701 120.168 119.600 -0.222 0.000 2.175 878 M HA -0.178 4.303 4.480 0.002 0.000 0.264 878 M C 2.042 178.223 176.300 -0.198 0.000 1.063 878 M CA 1.819 57.022 55.300 -0.161 0.000 1.119 878 M CB -0.397 32.058 32.600 -0.243 0.000 1.377 878 M HN 0.105 nan 8.290 nan 0.000 0.415 879 E N -0.762 119.300 120.200 -0.230 0.000 2.077 879 E HA -0.252 4.099 4.350 0.002 0.000 0.193 879 E C 2.203 178.699 176.600 -0.174 0.000 0.989 879 E CA 1.350 57.612 56.400 -0.230 0.000 0.800 879 E CB -0.236 29.437 29.700 -0.045 0.000 0.746 879 E HN 0.503 nan 8.360 nan 0.000 0.452 880 R N 0.606 121.206 120.500 0.167 0.000 2.075 880 R HA -0.119 4.222 4.340 0.002 0.000 0.232 880 R C 2.286 178.765 176.300 0.297 0.000 1.126 880 R CA 1.211 57.560 56.100 0.416 0.000 0.963 880 R CB -0.212 30.357 30.300 0.448 0.000 0.858 880 R HN 0.128 nan 8.270 nan 0.000 0.435 881 A N 1.263 124.124 122.820 0.069 0.000 1.884 881 A HA -0.208 4.113 4.320 0.002 0.000 0.219 881 A C 2.180 179.741 177.584 -0.039 0.000 1.197 881 A CA 1.681 53.708 52.037 -0.016 0.000 0.637 881 A CB -0.778 18.191 19.000 -0.051 0.000 0.827 881 A HN 0.385 nan 8.150 nan 0.000 0.450 882 L N -2.130 119.002 121.223 -0.152 0.000 2.201 882 L HA -0.096 4.246 4.340 0.002 0.000 0.212 882 L C 2.149 179.054 176.870 0.058 0.000 1.105 882 L CA 0.841 55.592 54.840 -0.148 0.000 0.775 882 L CB -0.403 41.531 42.059 -0.208 0.000 0.913 882 L HN 0.437 nan 8.230 nan 0.000 0.440 883 F N -1.393 118.604 119.950 0.077 0.000 2.771 883 F HA -0.089 4.440 4.527 0.002 0.000 0.299 883 F C 1.956 177.754 175.800 -0.003 0.000 1.177 883 F CA 0.385 58.333 58.000 -0.086 0.000 1.450 883 F CB 0.068 38.896 39.000 -0.287 0.000 1.114 883 F HN 0.222 nan 8.300 nan 0.000 0.587 884 H N -0.851 118.435 119.070 0.360 0.000 3.233 884 H HA 0.136 4.693 4.556 0.002 0.000 0.263 884 H C 1.992 177.388 175.328 0.113 0.000 1.168 884 H CA 0.285 56.459 56.048 0.210 0.000 1.159 884 H CB 0.043 29.825 29.762 0.034 0.000 1.593 884 H HN 0.361 nan 8.280 nan 0.000 0.580 885 M N 0.774 120.462 119.600 0.147 0.000 2.623 885 M HA -0.074 4.407 4.480 0.002 0.000 0.258 885 M C 0.865 177.233 176.300 0.114 0.000 1.067 885 M CA 1.638 57.014 55.300 0.126 0.000 1.068 885 M CB -0.154 32.535 32.600 0.149 0.000 1.409 885 M HN -0.070 nan 8.290 nan 0.000 0.504 886 D N -0.981 119.448 120.400 0.047 0.000 2.327 886 D HA -0.004 4.638 4.640 0.002 0.000 0.205 886 D C 0.932 177.320 176.300 0.147 0.000 0.989 886 D CA 0.373 54.462 54.000 0.147 0.000 0.873 886 D CB -0.482 40.442 40.800 0.207 0.000 0.955 886 D HN 0.486 nan 8.370 nan 0.000 0.515 887 N N 0.070 118.827 118.700 0.095 0.000 1.276 887 N HA -0.294 4.448 4.740 0.002 0.000 0.137 887 N C -0.060 175.404 175.510 -0.077 0.000 0.642 887 N CA 2.588 55.627 53.050 -0.018 0.000 0.986 887 N CB -1.328 37.086 38.487 -0.123 0.000 1.277 887 N HN 0.363 nan 8.380 nan 0.000 0.495 888 C N 0.153 119.092 119.300 -0.602 0.000 2.668 888 C HA 0.421 4.882 4.460 0.002 0.000 0.301 888 C C -0.631 173.883 174.990 -0.794 0.000 1.351 888 C CA -0.483 58.268 59.018 -0.446 0.000 1.757 888 C CB -2.029 25.488 27.740 -0.372 0.000 2.179 888 C HN 0.331 nan 8.230 nan 0.000 0.586 889 Y N 0.613 120.631 120.300 -0.469 0.000 2.364 889 Y HA 0.437 4.988 4.550 0.002 0.000 0.340 889 Y C 0.224 175.512 175.900 -1.020 0.000 0.975 889 Y CA -1.043 56.673 58.100 -0.641 0.000 1.089 889 Y CB 0.904 39.222 38.460 -0.236 0.000 1.192 889 Y HN -0.130 nan 8.280 nan 0.000 0.454 890 K N 3.806 123.730 120.400 -0.794 0.000 2.339 890 K HA 0.445 4.766 4.320 0.002 0.000 0.286 890 K C -1.456 175.014 176.600 -0.217 0.000 1.050 890 K CA 0.331 56.297 56.287 -0.535 0.000 0.956 890 K CB 0.020 32.334 32.500 -0.310 0.000 0.990 890 K HN 0.698 nan 8.250 nan 0.000 0.475 891 I N 8.147 128.651 120.570 -0.110 0.000 2.493 891 I HA 0.236 4.407 4.170 0.002 0.000 0.279 891 I C -1.866 174.219 176.117 -0.053 0.000 1.045 891 I CA -2.047 59.209 61.300 -0.073 0.000 1.106 891 I CB 2.114 40.084 38.000 -0.050 0.000 1.216 891 I HN 0.619 nan 8.210 nan 0.000 0.459 892 P HA -0.027 nan 4.420 nan 0.000 0.219 892 P C -0.395 176.870 177.300 -0.058 0.000 1.150 892 P CA 1.186 64.251 63.100 -0.059 0.000 0.814 892 P CB 0.211 31.867 31.700 -0.072 0.000 0.787 893 N N 0.214 118.855 118.700 -0.099 0.000 2.448 893 N HA 0.428 5.169 4.740 0.002 0.000 0.279 893 N C -1.007 174.426 175.510 -0.128 0.000 1.025 893 N CA -0.316 52.668 53.050 -0.111 0.000 0.898 893 N CB 2.327 40.711 38.487 -0.172 0.000 1.303 893 N HN 0.006 nan 8.380 nan 0.000 0.495 894 I N 0.882 121.423 120.570 -0.049 0.000 2.680 894 I HA 0.350 4.521 4.170 0.002 0.000 0.291 894 I C -1.487 174.656 176.117 0.044 0.000 1.244 894 I CA -0.593 60.696 61.300 -0.019 0.000 1.042 894 I CB 2.155 40.162 38.000 0.012 0.000 1.277 894 I HN 0.359 nan 8.210 nan 0.000 0.423 895 R N 5.680 126.212 120.500 0.053 0.000 2.500 895 R HA 0.644 4.985 4.340 0.002 0.000 0.299 895 R C -1.386 174.978 176.300 0.106 0.000 1.038 895 R CA -0.565 55.587 56.100 0.088 0.000 0.903 895 R CB 1.841 32.192 30.300 0.085 0.000 1.177 895 R HN 0.807 nan 8.270 nan 0.000 0.455 896 G N 2.061 110.942 108.800 0.135 0.000 2.544 896 G HA2 0.433 4.395 3.960 0.002 0.000 0.313 896 G HA3 0.433 4.395 3.960 0.002 0.000 0.313 896 G C -0.552 174.438 174.900 0.149 0.000 1.316 896 G CA -0.393 44.816 45.100 0.181 0.000 0.944 896 G HN 0.542 nan 8.290 nan 0.000 0.489 897 T N -0.603 114.037 114.554 0.144 0.000 2.924 897 T HA 0.867 5.218 4.350 0.002 0.000 0.291 897 T C 0.080 174.814 174.700 0.057 0.000 1.045 897 T CA -0.498 61.630 62.100 0.046 0.000 1.015 897 T CB 2.341 71.187 68.868 -0.036 0.000 1.103 897 T HN 1.210 nan 8.240 nan 0.000 0.496 898 G N 0.412 109.158 108.800 -0.090 0.000 2.696 898 G HA2 0.639 4.600 3.960 0.002 0.000 0.295 898 G HA3 0.639 4.600 3.960 0.002 0.000 0.295 898 G C -1.735 173.010 174.900 -0.258 0.000 1.398 898 G CA -1.059 43.944 45.100 -0.161 0.000 0.920 898 G HN 0.765 nan 8.290 nan 0.000 0.492 899 R N 0.734 121.057 120.500 -0.294 0.000 2.510 899 R HA 0.475 4.816 4.340 0.002 0.000 0.287 899 R C -1.051 175.250 176.300 0.001 0.000 1.084 899 R CA -0.705 55.262 56.100 -0.222 0.000 0.934 899 R CB 1.144 31.218 30.300 -0.376 0.000 1.201 899 R HN 0.447 nan 8.270 nan 0.000 0.431 900 L N 4.117 125.397 121.223 0.095 0.000 2.278 900 L HA 0.433 4.774 4.340 0.002 0.000 0.287 900 L C -0.294 176.785 176.870 0.348 0.000 1.072 900 L CA -0.780 54.185 54.840 0.208 0.000 0.819 900 L CB 1.122 43.324 42.059 0.239 0.000 1.176 900 L HN 0.549 nan 8.230 nan 0.000 0.435 901 C N 3.515 122.975 119.300 0.267 0.000 2.482 901 C HA 0.150 4.611 4.460 0.002 0.000 0.378 901 C C 0.872 175.821 174.990 -0.070 0.000 1.284 901 C CA -0.740 58.337 59.018 0.098 0.000 1.826 901 C CB -0.105 27.677 27.740 0.069 0.000 2.473 901 C HN 0.688 nan 8.230 nan 0.000 0.562 902 K N 3.542 123.721 120.400 -0.368 0.000 2.316 902 K HA 0.386 4.707 4.320 0.002 0.000 0.289 902 K C 0.126 176.529 176.600 -0.328 0.000 1.070 902 K CA 0.264 56.192 56.287 -0.598 0.000 0.928 902 K CB 0.386 32.296 32.500 -0.984 0.000 1.039 902 K HN 0.896 nan 8.250 nan 0.000 0.480 903 T N 0.460 114.902 114.554 -0.185 0.000 2.903 903 T HA 0.280 4.631 4.350 0.002 0.000 0.299 903 T C -0.155 174.461 174.700 -0.140 0.000 1.093 903 T CA -1.133 60.869 62.100 -0.163 0.000 1.002 903 T CB 1.096 69.885 68.868 -0.132 0.000 1.127 903 T HN 0.459 nan 8.240 nan 0.000 0.488 904 N N 2.041 120.643 118.700 -0.164 0.000 3.193 904 N HA 0.255 4.996 4.740 0.002 0.000 0.312 904 N C -0.789 174.657 175.510 -0.105 0.000 1.261 904 N CA 0.114 53.079 53.050 -0.143 0.000 1.208 904 N CB -0.428 37.974 38.487 -0.143 0.000 1.471 904 N HN 0.511 nan 8.380 nan 0.000 0.548 905 L N -0.308 120.859 121.223 -0.094 0.000 2.376 905 L HA 0.274 4.615 4.340 0.002 0.000 0.258 905 L C 0.353 177.200 176.870 -0.039 0.000 1.013 905 L CA -0.832 53.957 54.840 -0.085 0.000 0.822 905 L CB 2.015 43.982 42.059 -0.153 0.000 1.388 905 L HN -0.012 nan 8.230 nan 0.000 0.413 906 S N 0.961 116.662 115.700 0.001 0.000 2.642 906 S HA -0.074 4.397 4.470 0.002 0.000 0.308 906 S C 0.309 174.919 174.600 0.017 0.000 1.255 906 S CA 0.124 58.338 58.200 0.023 0.000 1.057 906 S CB 0.364 63.605 63.200 0.068 0.000 0.785 906 S HN 0.560 nan 8.310 nan 0.000 0.500 907 S N 4.265 119.978 115.700 0.021 0.000 2.629 907 S HA -0.009 4.462 4.470 0.002 0.000 0.302 907 S C 0.365 174.990 174.600 0.041 0.000 1.244 907 S CA -0.485 57.740 58.200 0.043 0.000 1.098 907 S CB -0.247 62.983 63.200 0.050 0.000 0.858 907 S HN 0.645 nan 8.310 nan 0.000 0.502 908 N N 3.148 121.824 118.700 -0.039 0.000 2.467 908 N HA 0.315 5.056 4.740 0.002 0.000 0.262 908 N C 0.259 175.832 175.510 0.105 0.000 1.234 908 N CA -0.007 52.941 53.050 -0.170 0.000 0.952 908 N CB 1.514 39.536 38.487 -0.776 0.000 1.158 908 N HN 0.710 nan 8.380 nan 0.000 0.463 909 T N -1.174 113.534 114.554 0.258 0.000 2.590 909 T HA 0.614 4.965 4.350 0.002 0.000 0.282 909 T C -1.158 173.848 174.700 0.510 0.000 0.989 909 T CA -0.501 61.851 62.100 0.419 0.000 1.091 909 T CB 0.503 69.570 68.868 0.332 0.000 1.460 909 T HN 0.471 nan 8.240 nan 0.000 0.499 910 A N 0.983 124.113 122.820 0.518 0.000 2.462 910 A HA 0.607 4.928 4.320 0.002 0.000 0.243 910 A C -0.827 177.162 177.584 0.673 0.000 1.076 910 A CA -0.023 52.399 52.037 0.642 0.000 0.773 910 A CB -0.610 18.810 19.000 0.699 0.000 1.010 910 A HN 0.687 nan 8.150 nan 0.000 0.493 911 F N 1.619 121.863 119.950 0.489 0.000 2.588 911 F HA 0.424 4.952 4.527 0.002 0.000 0.318 911 F C 0.618 176.600 175.800 0.303 0.000 1.155 911 F CA -1.071 57.172 58.000 0.404 0.000 0.967 911 F CB 1.323 40.421 39.000 0.164 0.000 1.236 911 F HN 0.762 nan 8.300 nan 0.000 0.455 912 R N 3.909 124.872 120.500 0.771 0.000 4.509 912 R HA -0.070 4.271 4.340 0.002 0.000 0.132 912 R C 0.824 177.297 176.300 0.289 0.000 0.287 912 R CA 1.865 58.253 56.100 0.480 0.000 0.855 912 R CB -0.829 29.780 30.300 0.516 0.000 1.022 912 R HN 1.103 nan 8.270 nan 0.000 0.241 913 G N 3.203 112.147 108.800 0.241 0.000 2.699 913 G HA2 -0.267 3.694 3.960 0.002 0.000 0.198 913 G HA3 -0.267 3.694 3.960 0.002 0.000 0.198 913 G C 0.145 175.310 174.900 0.442 0.000 1.033 913 G CA -0.192 45.037 45.100 0.215 0.000 0.728 913 G HN 0.670 nan 8.290 nan 0.000 0.484 914 F N 1.006 121.088 119.950 0.221 0.000 2.891 914 F HA 0.067 4.595 4.527 0.002 0.000 0.272 914 F C 1.779 177.659 175.800 0.134 0.000 1.004 914 F CA 2.522 60.649 58.000 0.212 0.000 0.938 914 F CB -1.005 38.132 39.000 0.228 0.000 0.939 914 F HN 2.019 nan 8.300 nan 0.000 0.833 915 G N -0.167 108.631 108.800 -0.005 0.000 2.304 915 G HA2 -0.302 3.659 3.960 0.002 0.000 0.252 915 G HA3 -0.302 3.659 3.960 0.002 0.000 0.252 915 G C 1.534 176.351 174.900 -0.139 0.000 1.014 915 G CA 0.833 45.846 45.100 -0.145 0.000 0.619 915 G HN 1.575 nan 8.290 nan 0.000 0.525 916 G N 1.607 110.395 108.800 -0.019 0.000 2.433 916 G HA2 0.086 4.047 3.960 0.002 0.000 0.216 916 G HA3 0.086 4.047 3.960 0.002 0.000 0.216 916 G C 0.116 174.951 174.900 -0.109 0.000 1.186 916 G CA 1.904 46.929 45.100 -0.126 0.000 0.779 916 G HN 0.543 nan 8.290 nan 0.000 0.543 917 P HA -0.090 nan 4.420 nan 0.000 0.216 917 P C 1.722 179.031 177.300 0.016 0.000 1.150 917 P CA 1.257 64.391 63.100 0.056 0.000 0.837 917 P CB 0.025 31.777 31.700 0.087 0.000 0.786 918 Q N -0.371 119.312 119.800 -0.195 0.000 2.016 918 Q HA -0.075 4.266 4.340 0.002 0.000 0.200 918 Q C 2.334 178.259 176.000 -0.125 0.000 0.978 918 Q CA 2.047 57.666 55.803 -0.307 0.000 0.833 918 Q CB -1.452 26.636 28.738 -1.084 0.000 0.895 918 Q HN 0.159 nan 8.270 nan 0.000 0.427 919 A N 0.087 122.802 122.820 -0.175 0.000 1.969 919 A HA -0.093 4.228 4.320 0.002 0.000 0.218 919 A C 2.018 179.579 177.584 -0.038 0.000 1.169 919 A CA 0.972 53.022 52.037 0.022 0.000 0.635 919 A CB -0.572 18.435 19.000 0.012 0.000 0.810 919 A HN 0.314 nan 8.150 nan 0.000 0.445 920 L N -2.258 118.820 121.223 -0.241 0.000 2.044 920 L HA -0.087 4.254 4.340 0.002 0.000 0.205 920 L C 2.411 178.988 176.870 -0.488 0.000 1.075 920 L CA 1.299 55.765 54.840 -0.623 0.000 0.747 920 L CB -0.589 40.646 42.059 -1.374 0.000 0.903 920 L HN 0.461 nan 8.230 nan 0.000 0.435 921 F N 1.242 121.053 119.950 -0.233 0.000 2.063 921 F HA -0.315 4.213 4.527 0.002 0.000 0.298 921 F C 2.305 178.099 175.800 -0.008 0.000 1.109 921 F CA 1.700 59.792 58.000 0.153 0.000 1.212 921 F CB -0.349 38.722 39.000 0.119 0.000 0.973 921 F HN -0.106 nan 8.300 nan 0.000 0.480 922 I N 0.280 120.820 120.570 -0.050 0.000 2.113 922 I HA -0.415 3.756 4.170 0.002 0.000 0.242 922 I C 2.708 178.543 176.117 -0.470 0.000 1.064 922 I CA 1.675 62.875 61.300 -0.168 0.000 1.320 922 I CB -1.060 37.005 38.000 0.109 0.000 1.028 922 I HN 0.288 nan 8.210 nan 0.000 0.406 923 A N -0.049 122.504 122.820 -0.444 0.000 1.902 923 A HA -0.199 4.122 4.320 0.002 0.000 0.217 923 A C 2.165 178.949 177.584 -1.333 0.000 1.181 923 A CA 1.572 53.019 52.037 -0.983 0.000 0.623 923 A CB -0.436 18.337 19.000 -0.379 0.000 0.818 923 A HN 0.355 nan 8.150 nan 0.000 0.443 924 E N -0.229 119.550 120.200 -0.702 0.000 2.347 924 E HA -0.121 4.230 4.350 0.002 0.000 0.196 924 E C 1.602 177.663 176.600 -0.898 0.000 1.008 924 E CA 0.854 56.819 56.400 -0.725 0.000 0.852 924 E CB -0.404 28.994 29.700 -0.503 0.000 0.783 924 E HN 0.740 nan 8.360 nan 0.000 0.505 925 N N 0.729 118.987 118.700 -0.737 0.000 2.132 925 N HA -0.119 4.622 4.740 0.002 0.000 0.187 925 N C 1.900 177.161 175.510 -0.415 0.000 1.038 925 N CA 1.694 54.458 53.050 -0.476 0.000 0.846 925 N CB -0.292 37.900 38.487 -0.492 0.000 1.012 925 N HN 0.316 nan 8.380 nan 0.000 0.429 926 W N -0.226 120.792 121.300 -0.470 0.000 2.363 926 W HA -0.130 4.531 4.660 0.002 0.000 0.296 926 W C 1.720 178.053 176.519 -0.310 0.000 1.212 926 W CA 0.363 57.482 57.345 -0.377 0.000 1.260 926 W CB -0.918 28.292 29.460 -0.416 0.000 1.131 926 W HN 0.166 nan 8.180 nan 0.000 0.530 927 M N 3.439 122.783 119.600 -0.427 0.000 2.086 927 M HA -0.209 4.272 4.480 0.002 0.000 0.261 927 M C 2.637 178.743 176.300 -0.323 0.000 1.067 927 M CA 3.075 58.120 55.300 -0.425 0.000 1.116 927 M CB -1.000 31.093 32.600 -0.844 0.000 1.348 927 M HN 0.092 nan 8.290 nan 0.000 0.407 928 S N -0.887 114.592 115.700 -0.369 0.000 2.399 928 S HA -0.177 4.294 4.470 0.002 0.000 0.231 928 S C 1.768 176.292 174.600 -0.128 0.000 1.022 928 S CA 1.609 59.663 58.200 -0.243 0.000 0.983 928 S CB -0.813 62.241 63.200 -0.244 0.000 0.803 928 S HN 0.707 nan 8.310 nan 0.000 0.480 929 E N 0.781 120.919 120.200 -0.103 0.000 2.107 929 E HA -0.009 4.342 4.350 0.002 0.000 0.191 929 E C 2.119 178.646 176.600 -0.122 0.000 0.982 929 E CA 0.962 57.337 56.400 -0.042 0.000 0.809 929 E CB -0.318 29.412 29.700 0.050 0.000 0.756 929 E HN 0.385 nan 8.360 nan 0.000 0.459 930 V N 1.507 121.250 119.914 -0.285 0.000 2.282 930 V HA -0.340 3.781 4.120 0.002 0.000 0.249 930 V C 2.319 178.240 176.094 -0.289 0.000 1.057 930 V CA 2.056 63.971 62.300 -0.640 0.000 1.032 930 V CB -0.755 30.637 31.823 -0.719 0.000 0.645 930 V HN 0.363 nan 8.190 nan 0.000 0.447 931 A N -0.763 121.960 122.820 -0.161 0.000 1.969 931 A HA -0.114 4.207 4.320 0.002 0.000 0.218 931 A C 2.345 179.932 177.584 0.004 0.000 1.169 931 A CA 1.871 53.875 52.037 -0.055 0.000 0.635 931 A CB -0.473 18.499 19.000 -0.046 0.000 0.810 931 A HN 0.357 nan 8.150 nan 0.000 0.445 932 V N -0.696 119.221 119.914 0.006 0.000 2.407 932 V HA -0.155 3.966 4.120 0.002 0.000 0.245 932 V C 2.697 178.839 176.094 0.080 0.000 1.041 932 V CA 2.297 64.629 62.300 0.054 0.000 1.040 932 V CB -0.987 30.877 31.823 0.068 0.000 0.671 932 V HN 0.570 nan 8.190 nan 0.000 0.455 933 T N -1.041 113.568 114.554 0.091 0.000 2.746 933 T HA -0.214 4.138 4.350 0.002 0.000 0.267 933 T C 1.851 176.660 174.700 0.182 0.000 1.039 933 T CA 1.931 64.132 62.100 0.169 0.000 1.142 933 T CB -0.447 68.600 68.868 0.299 0.000 0.866 933 T HN 0.519 nan 8.240 nan 0.000 0.444 934 C N 0.786 120.190 119.300 0.172 0.000 2.456 934 C HA 0.351 4.812 4.460 0.002 0.000 0.279 934 C C 2.197 177.251 174.990 0.107 0.000 1.427 934 C CA -0.090 59.026 59.018 0.164 0.000 1.778 934 C CB -1.463 26.371 27.740 0.157 0.000 1.842 934 C HN 0.826 nan 8.230 nan 0.000 0.531 935 G N 0.680 109.534 108.800 0.090 0.000 2.221 935 G HA2 -0.258 3.703 3.960 0.002 0.000 0.265 935 G HA3 -0.258 3.703 3.960 0.002 0.000 0.265 935 G C -0.120 174.823 174.900 0.072 0.000 1.041 935 G CA 0.112 45.257 45.100 0.075 0.000 0.807 935 G HN 0.542 nan 8.290 nan 0.000 0.502 936 L N -0.012 121.255 121.223 0.073 0.000 2.352 936 L HA 0.553 4.894 4.340 0.002 0.000 0.269 936 L C -1.698 175.222 176.870 0.084 0.000 1.034 936 L CA -2.548 52.339 54.840 0.078 0.000 0.806 936 L CB 1.359 43.465 42.059 0.078 0.000 1.244 936 L HN -0.106 nan 8.230 nan 0.000 0.447 937 P HA 0.075 nan 4.420 nan 0.000 0.271 937 P C -0.066 177.313 177.300 0.132 0.000 1.216 937 P CA -0.200 62.978 63.100 0.129 0.000 0.776 937 P CB 0.942 32.743 31.700 0.170 0.000 0.881 938 A N 3.264 126.161 122.820 0.129 0.000 1.908 938 A HA -0.243 4.078 4.320 0.002 0.000 0.218 938 A C 1.749 179.433 177.584 0.166 0.000 1.181 938 A CA 1.845 53.946 52.037 0.106 0.000 0.627 938 A CB -1.139 17.911 19.000 0.085 0.000 0.818 938 A HN 0.616 nan 8.150 nan 0.000 0.445 939 E N 0.145 120.481 120.200 0.226 0.000 2.153 939 E HA -0.179 4.172 4.350 0.002 0.000 0.194 939 E C 1.828 178.671 176.600 0.405 0.000 0.988 939 E CA 1.283 57.898 56.400 0.359 0.000 0.811 939 E CB -0.318 29.491 29.700 0.181 0.000 0.746 939 E HN 0.799 nan 8.360 nan 0.000 0.466 940 E N 0.519 120.893 120.200 0.291 0.000 2.051 940 E HA -0.156 4.195 4.350 0.002 0.000 0.192 940 E C 1.962 178.702 176.600 0.233 0.000 0.991 940 E CA 1.230 57.793 56.400 0.272 0.000 0.799 940 E CB 0.146 29.966 29.700 0.200 0.000 0.748 940 E HN 0.142 nan 8.360 nan 0.000 0.449 941 V N 0.940 120.938 119.914 0.139 0.000 2.358 941 V HA -0.216 3.905 4.120 0.002 0.000 0.246 941 V C 2.365 178.443 176.094 -0.026 0.000 1.047 941 V CA 1.701 64.023 62.300 0.037 0.000 1.035 941 V CB -0.430 31.380 31.823 -0.022 0.000 0.658 941 V HN 0.222 nan 8.190 nan 0.000 0.452 942 R N -1.108 119.396 120.500 0.006 0.000 2.075 942 R HA -0.189 4.152 4.340 0.002 0.000 0.232 942 R C 2.244 178.516 176.300 -0.047 0.000 1.126 942 R CA 1.887 57.957 56.100 -0.050 0.000 0.963 942 R CB -0.432 29.907 30.300 0.065 0.000 0.858 942 R HN 0.697 nan 8.270 nan 0.000 0.435 943 W N 2.461 123.606 121.300 -0.259 0.000 2.315 943 W HA -0.278 4.383 4.660 0.002 0.000 0.323 943 W C 1.482 177.909 176.519 -0.153 0.000 1.233 943 W CA 1.611 58.770 57.345 -0.309 0.000 1.267 943 W CB -0.166 29.224 29.460 -0.117 0.000 1.160 943 W HN 0.027 nan 8.180 nan 0.000 0.474 944 K N -0.028 120.314 120.400 -0.096 0.000 2.089 944 K HA -0.241 4.080 4.320 0.002 0.000 0.210 944 K C 1.460 177.918 176.600 -0.238 0.000 1.048 944 K CA 1.975 58.149 56.287 -0.189 0.000 0.926 944 K CB -0.582 31.894 32.500 -0.040 0.000 0.714 944 K HN 0.214 nan 8.250 nan 0.000 0.448 945 N N 0.339 118.933 118.700 -0.177 0.000 2.521 945 N HA -0.023 4.718 4.740 0.002 0.000 0.188 945 N C 0.312 175.771 175.510 -0.084 0.000 1.146 945 N CA 0.302 53.268 53.050 -0.139 0.000 0.893 945 N CB 0.146 38.509 38.487 -0.206 0.000 0.975 945 N HN 0.247 nan 8.380 nan 0.000 0.451 946 M N 1.051 120.536 119.600 -0.192 0.000 2.228 946 M HA 0.049 4.530 4.480 0.002 0.000 0.351 946 M C -0.321 175.795 176.300 -0.307 0.000 1.233 946 M CA -0.258 54.893 55.300 -0.249 0.000 1.129 946 M CB 0.462 32.828 32.600 -0.391 0.000 1.604 946 M HN 0.049 nan 8.290 nan 0.000 0.457 947 Y N 3.630 123.755 120.300 -0.291 0.000 2.986 947 Y HA -0.141 4.410 4.550 0.002 0.000 0.342 947 Y C 0.612 176.216 175.900 -0.494 0.000 1.275 947 Y CA 0.288 58.087 58.100 -0.502 0.000 1.527 947 Y CB 0.267 38.149 38.460 -0.963 0.000 1.296 947 Y HN 0.414 nan 8.280 nan 0.000 0.628 948 K N 1.996 122.245 120.400 -0.252 0.000 2.118 948 K HA 0.157 4.478 4.320 0.002 0.000 0.254 948 K C -0.541 175.896 176.600 -0.271 0.000 0.961 948 K CA -1.172 54.994 56.287 -0.202 0.000 0.876 948 K CB 1.283 33.696 32.500 -0.144 0.000 1.077 948 K HN 0.557 nan 8.250 nan 0.000 0.440 949 E N 0.311 120.458 120.200 -0.088 0.000 2.966 949 E HA -0.026 4.325 4.350 0.002 0.000 0.254 949 E C 0.813 177.344 176.600 -0.116 0.000 0.923 949 E CA 1.850 58.216 56.400 -0.057 0.000 0.960 949 E CB -0.503 29.211 29.700 0.023 0.000 0.901 949 E HN 0.741 nan 8.360 nan 0.000 0.525 950 G N 3.509 112.220 108.800 -0.148 0.000 2.194 950 G HA2 -0.288 3.673 3.960 0.002 0.000 0.236 950 G HA3 -0.288 3.673 3.960 0.002 0.000 0.236 950 G C 0.132 174.927 174.900 -0.174 0.000 0.987 950 G CA 0.000 45.024 45.100 -0.127 0.000 0.635 950 G HN 0.639 nan 8.290 nan 0.000 0.520 951 D N 0.161 120.409 120.400 -0.254 0.000 2.361 951 D HA 0.545 5.186 4.640 0.002 0.000 0.239 951 D C 1.017 177.129 176.300 -0.314 0.000 1.200 951 D CA 0.302 54.157 54.000 -0.241 0.000 0.915 951 D CB 0.518 41.199 40.800 -0.198 0.000 1.170 951 D HN 0.265 nan 8.370 nan 0.000 0.444 952 L N 0.767 121.850 121.223 -0.234 0.000 2.331 952 L HA 0.387 4.728 4.340 0.002 0.000 0.275 952 L C 0.829 177.525 176.870 -0.290 0.000 1.022 952 L CA -0.887 53.783 54.840 -0.283 0.000 0.812 952 L CB 1.612 43.562 42.059 -0.181 0.000 1.257 952 L HN 0.507 nan 8.230 nan 0.000 0.435 953 T N -2.999 111.249 114.554 -0.509 0.000 2.754 953 T HA 0.040 4.391 4.350 0.002 0.000 0.286 953 T C 1.528 176.059 174.700 -0.282 0.000 0.997 953 T CA -0.224 61.590 62.100 -0.476 0.000 0.982 953 T CB 0.531 68.733 68.868 -1.110 0.000 1.027 953 T HN 0.760 nan 8.240 nan 0.000 0.529 954 H N 0.634 119.653 119.070 -0.084 0.000 2.492 954 H HA -0.110 4.447 4.556 0.002 0.000 0.296 954 H C 1.183 176.573 175.328 0.103 0.000 1.095 954 H CA 1.715 57.794 56.048 0.052 0.000 1.281 954 H CB -0.811 29.050 29.762 0.164 0.000 1.374 954 H HN 0.810 nan 8.280 nan 0.000 0.545 955 F N -0.275 119.482 119.950 -0.321 0.000 2.639 955 F HA 0.418 4.946 4.527 0.002 0.000 0.302 955 F C -0.021 175.764 175.800 -0.025 0.000 1.097 955 F CA -0.843 57.071 58.000 -0.143 0.000 1.294 955 F CB 0.039 38.849 39.000 -0.316 0.000 1.027 955 F HN -0.134 nan 8.300 nan 0.000 0.550 956 N N 1.488 120.010 118.700 -0.297 0.000 2.861 956 N HA -0.227 4.514 4.740 0.002 0.000 0.247 956 N C -0.456 174.941 175.510 -0.188 0.000 1.117 956 N CA 0.773 53.722 53.050 -0.168 0.000 0.703 956 N CB -1.287 37.195 38.487 -0.008 0.000 1.052 956 N HN 0.749 nan 8.380 nan 0.000 0.555 957 Q N 0.402 119.954 119.800 -0.414 0.000 2.293 957 Q HA 0.420 4.761 4.340 0.002 0.000 0.261 957 Q C 0.032 175.901 176.000 -0.218 0.000 0.960 957 Q CA -0.761 54.920 55.803 -0.202 0.000 0.882 957 Q CB 1.422 30.142 28.738 -0.030 0.000 1.275 957 Q HN 0.240 nan 8.270 nan 0.000 0.445 958 R N 3.101 123.538 120.500 -0.104 0.000 2.522 958 R HA 0.122 4.463 4.340 0.002 0.000 0.284 958 R C -0.985 175.268 176.300 -0.077 0.000 1.032 958 R CA 0.262 56.295 56.100 -0.111 0.000 1.049 958 R CB 0.240 30.511 30.300 -0.049 0.000 0.956 958 R HN 0.584 nan 8.270 nan 0.000 0.422 959 L N 5.225 126.334 121.223 -0.191 0.000 2.314 959 L HA 0.288 4.629 4.340 0.002 0.000 0.275 959 L C -0.191 176.692 176.870 0.021 0.000 1.068 959 L CA -0.095 54.672 54.840 -0.123 0.000 0.894 959 L CB 0.900 42.682 42.059 -0.462 0.000 1.275 959 L HN 0.621 nan 8.230 nan 0.000 0.432 960 E N 2.038 122.314 120.200 0.125 0.000 2.216 960 E HA 0.435 4.786 4.350 0.002 0.000 0.279 960 E C 0.728 177.436 176.600 0.180 0.000 0.997 960 E CA -0.281 56.187 56.400 0.112 0.000 0.817 960 E CB 1.576 31.323 29.700 0.078 0.000 1.096 960 E HN 0.680 nan 8.360 nan 0.000 0.393 961 G N 3.084 111.966 108.800 0.136 0.000 2.225 961 G HA2 -0.307 3.654 3.960 0.002 0.000 0.264 961 G HA3 -0.307 3.654 3.960 0.002 0.000 0.264 961 G C -0.296 174.700 174.900 0.159 0.000 1.060 961 G CA -0.205 44.976 45.100 0.135 0.000 0.833 961 G HN 0.518 nan 8.290 nan 0.000 0.498 962 F N 2.522 122.416 119.950 -0.094 0.000 2.541 962 F HA 0.451 4.979 4.527 0.002 0.000 0.347 962 F C 1.489 176.995 175.800 -0.490 0.000 1.242 962 F CA -0.106 57.652 58.000 -0.405 0.000 1.123 962 F CB 0.347 39.152 39.000 -0.325 0.000 1.354 962 F HN 0.266 nan 8.300 nan 0.000 0.621 963 S N 2.235 117.343 115.700 -0.986 0.000 2.575 963 S HA -0.008 4.463 4.470 0.002 0.000 0.215 963 S C 1.705 175.973 174.600 -0.552 0.000 0.966 963 S CA 0.358 58.248 58.200 -0.516 0.000 0.911 963 S CB -0.448 62.656 63.200 -0.160 0.000 0.780 963 S HN 0.402 nan 8.310 nan 0.000 0.514 964 V N 2.966 122.249 119.914 -1.050 0.000 2.317 964 V HA -0.151 3.970 4.120 0.002 0.000 0.251 964 V C -0.354 175.660 176.094 -0.134 0.000 1.065 964 V CA 2.192 64.152 62.300 -0.566 0.000 1.049 964 V CB -1.858 29.518 31.823 -0.746 0.000 0.651 964 V HN 0.422 nan 8.190 nan 0.000 0.450 965 P HA -0.126 nan 4.420 nan 0.000 0.215 965 P C 1.784 179.216 177.300 0.220 0.000 1.157 965 P CA 1.429 64.668 63.100 0.231 0.000 0.863 965 P CB -0.124 31.715 31.700 0.231 0.000 0.787 966 R N -0.880 119.673 120.500 0.088 0.000 2.083 966 R HA -0.137 4.204 4.340 0.002 0.000 0.237 966 R C 2.390 178.733 176.300 0.072 0.000 1.137 966 R CA 1.791 57.932 56.100 0.069 0.000 0.951 966 R CB -1.408 28.906 30.300 0.023 0.000 0.851 966 R HN 0.224 nan 8.270 nan 0.000 0.434 967 C N -0.337 118.999 119.300 0.060 0.000 2.398 967 C HA -0.182 4.279 4.460 0.002 0.000 0.276 967 C C 2.428 177.486 174.990 0.113 0.000 1.222 967 C CA 0.361 59.421 59.018 0.070 0.000 1.746 967 C CB -1.137 26.647 27.740 0.073 0.000 2.039 967 C HN 0.674 nan 8.230 nan 0.000 0.470 968 W N 1.725 123.013 121.300 -0.021 0.000 2.354 968 W HA -0.113 4.548 4.660 0.002 0.000 0.315 968 W C 2.057 178.526 176.519 -0.083 0.000 1.206 968 W CA 1.736 59.064 57.345 -0.028 0.000 1.290 968 W CB -0.649 28.854 29.460 0.071 0.000 1.152 968 W HN 0.414 nan 8.180 nan 0.000 0.489 969 D N 0.013 120.498 120.400 0.141 0.000 2.117 969 D HA -0.212 4.429 4.640 0.002 0.000 0.198 969 D C 1.943 178.207 176.300 -0.060 0.000 0.982 969 D CA 1.615 55.613 54.000 -0.003 0.000 0.828 969 D CB -0.331 40.491 40.800 0.037 0.000 0.967 969 D HN 0.396 nan 8.370 nan 0.000 0.464 970 E N 0.214 120.397 120.200 -0.028 0.000 2.072 970 E HA -0.148 4.203 4.350 0.002 0.000 0.191 970 E C 2.230 178.781 176.600 -0.083 0.000 0.985 970 E CA 0.564 56.939 56.400 -0.041 0.000 0.801 970 E CB -0.027 29.663 29.700 -0.016 0.000 0.750 970 E HN 0.150 nan 8.360 nan 0.000 0.452 971 C N 0.539 119.769 119.300 -0.117 0.000 2.432 971 C HA -0.106 4.355 4.460 0.002 0.000 0.277 971 C C 2.627 177.479 174.990 -0.231 0.000 1.249 971 C CA 0.724 59.642 59.018 -0.166 0.000 1.725 971 C CB -1.173 26.454 27.740 -0.189 0.000 2.028 971 C HN 0.475 nan 8.230 nan 0.000 0.477 972 L N 0.616 121.628 121.223 -0.351 0.000 2.013 972 L HA -0.198 4.143 4.340 0.002 0.000 0.212 972 L C 2.845 179.628 176.870 -0.144 0.000 1.073 972 L CA 2.115 56.736 54.840 -0.365 0.000 0.753 972 L CB -0.721 41.057 42.059 -0.469 0.000 0.890 972 L HN 0.394 nan 8.230 nan 0.000 0.432 973 K N -0.265 120.077 120.400 -0.096 0.000 2.031 973 K HA -0.142 4.179 4.320 0.002 0.000 0.205 973 K C 2.347 178.929 176.600 -0.030 0.000 1.049 973 K CA 1.669 57.937 56.287 -0.032 0.000 0.939 973 K CB -0.004 32.480 32.500 -0.026 0.000 0.717 973 K HN 0.357 nan 8.250 nan 0.000 0.438 974 S N -0.082 115.590 115.700 -0.047 0.000 2.461 974 S HA -0.068 4.403 4.470 0.002 0.000 0.228 974 S C 1.823 176.398 174.600 -0.042 0.000 1.005 974 S CA 1.085 59.262 58.200 -0.039 0.000 0.942 974 S CB -0.009 63.165 63.200 -0.043 0.000 0.776 974 S HN 0.305 nan 8.310 nan 0.000 0.514 975 S N 0.853 116.521 115.700 -0.054 0.000 2.562 975 S HA 0.082 4.553 4.470 0.002 0.000 0.221 975 S C 0.695 175.279 174.600 -0.026 0.000 0.975 975 S CA 0.195 58.369 58.200 -0.044 0.000 0.918 975 S CB -0.801 62.364 63.200 -0.058 0.000 0.772 975 S HN 0.584 nan 8.310 nan 0.000 0.531 976 Q N -0.718 119.071 119.800 -0.018 0.000 2.468 976 Q HA -0.284 4.057 4.340 0.002 0.000 0.289 976 Q C 0.236 176.225 176.000 -0.020 0.000 1.299 976 Q CA 0.767 56.567 55.803 -0.004 0.000 0.838 976 Q CB -2.417 26.312 28.738 -0.015 0.000 1.195 976 Q HN 0.799 nan 8.270 nan 0.000 0.456 977 Y N -0.255 119.930 120.300 -0.192 0.000 2.081 977 Y HA -0.344 4.207 4.550 0.002 0.000 0.280 977 Y C 1.696 177.430 175.900 -0.277 0.000 1.163 977 Y CA 2.631 60.545 58.100 -0.311 0.000 1.135 977 Y CB -0.426 37.703 38.460 -0.551 0.000 0.970 977 Y HN 0.379 nan 8.280 nan 0.000 0.498 978 Y N -0.705 119.547 120.300 -0.081 0.000 2.224 978 Y HA -0.174 4.377 4.550 0.002 0.000 0.289 978 Y C 2.603 178.404 175.900 -0.166 0.000 1.146 978 Y CA 1.037 59.053 58.100 -0.141 0.000 1.182 978 Y CB -0.625 37.835 38.460 0.000 0.000 0.983 978 Y HN 0.250 nan 8.280 nan 0.000 0.524 979 A N -0.033 122.795 122.820 0.014 0.000 2.016 979 A HA -0.064 4.257 4.320 0.002 0.000 0.217 979 A C 2.133 179.674 177.584 -0.071 0.000 1.162 979 A CA 0.804 52.833 52.037 -0.014 0.000 0.662 979 A CB -0.248 18.753 19.000 0.001 0.000 0.812 979 A HN 0.321 nan 8.150 nan 0.000 0.450 980 R N -0.522 119.898 120.500 -0.135 0.000 2.200 980 R HA 0.028 4.369 4.340 0.002 0.000 0.208 980 R C 1.963 178.135 176.300 -0.213 0.000 1.033 980 R CA 0.889 56.896 56.100 -0.155 0.000 1.000 980 R CB -0.120 30.085 30.300 -0.159 0.000 0.906 980 R HN 0.436 nan 8.270 nan 0.000 0.462 981 K N 0.492 120.692 120.400 -0.334 0.000 2.365 981 K HA -0.013 4.308 4.320 0.002 0.000 0.199 981 K C 1.519 178.031 176.600 -0.145 0.000 1.045 981 K CA 0.841 56.932 56.287 -0.326 0.000 0.962 981 K CB 0.253 32.451 32.500 -0.503 0.000 0.759 981 K HN -0.015 nan 8.250 nan 0.000 0.469 982 S N 1.192 116.834 115.700 -0.097 0.000 2.348 982 S HA -0.066 4.405 4.470 0.002 0.000 0.219 982 S C 1.401 175.986 174.600 -0.025 0.000 1.033 982 S CA 0.959 59.135 58.200 -0.040 0.000 0.974 982 S CB -0.047 63.141 63.200 -0.021 0.000 0.868 982 S HN 0.392 nan 8.310 nan 0.000 0.459 983 E N 0.754 120.936 120.200 -0.031 0.000 2.219 983 E HA -0.120 4.231 4.350 0.002 0.000 0.198 983 E C 1.924 178.540 176.600 0.027 0.000 0.998 983 E CA 0.988 57.388 56.400 0.000 0.000 0.818 983 E CB -0.210 29.480 29.700 -0.015 0.000 0.741 983 E HN 0.226 nan 8.360 nan 0.000 0.477 984 V N 1.725 121.629 119.914 -0.017 0.000 2.244 984 V HA -0.237 3.885 4.120 0.002 0.000 0.244 984 V C 1.590 177.723 176.094 0.065 0.000 1.042 984 V CA 2.074 64.377 62.300 0.005 0.000 1.006 984 V CB -0.420 31.367 31.823 -0.060 0.000 0.641 984 V HN 0.189 nan 8.190 nan 0.000 0.446 985 D N -0.117 120.296 120.400 0.021 0.000 2.158 985 D HA -0.209 4.432 4.640 0.002 0.000 0.197 985 D C 2.069 178.389 176.300 0.034 0.000 0.995 985 D CA 1.488 55.502 54.000 0.023 0.000 0.846 985 D CB -0.243 40.559 40.800 0.003 0.000 0.941 985 D HN 0.421 nan 8.370 nan 0.000 0.456 986 K N -0.295 120.131 120.400 0.042 0.000 1.985 986 K HA -0.160 4.161 4.320 0.002 0.000 0.210 986 K C 2.156 178.793 176.600 0.063 0.000 1.047 986 K CA 0.868 57.179 56.287 0.040 0.000 0.932 986 K CB -0.454 32.070 32.500 0.039 0.000 0.716 986 K HN 0.089 nan 8.250 nan 0.000 0.439 987 F N 2.297 122.229 119.950 -0.029 0.000 2.115 987 F HA -0.301 4.227 4.527 0.002 0.000 0.300 987 F C 1.759 177.541 175.800 -0.030 0.000 1.092 987 F CA 1.854 59.839 58.000 -0.024 0.000 1.245 987 F CB -0.253 38.734 39.000 -0.021 0.000 0.995 987 F HN 0.199 nan 8.300 nan 0.000 0.481 988 N N 0.469 119.263 118.700 0.156 0.000 2.309 988 N HA -0.128 4.613 4.740 0.002 0.000 0.182 988 N C 1.531 176.993 175.510 -0.079 0.000 1.018 988 N CA 1.195 54.274 53.050 0.049 0.000 0.876 988 N CB -0.250 38.278 38.487 0.068 0.000 0.972 988 N HN 0.403 nan 8.380 nan 0.000 0.434 989 K N 0.360 120.715 120.400 -0.075 0.000 2.361 989 K HA 0.083 4.404 4.320 0.002 0.000 0.196 989 K C 0.882 177.405 176.600 -0.127 0.000 1.039 989 K CA 0.548 56.778 56.287 -0.094 0.000 1.001 989 K CB 0.300 32.765 32.500 -0.059 0.000 0.795 989 K HN 0.307 nan 8.250 nan 0.000 0.495 990 E N 0.120 120.216 120.200 -0.173 0.000 2.476 990 E HA 0.082 4.433 4.350 0.002 0.000 0.199 990 E C -0.181 176.260 176.600 -0.265 0.000 1.021 990 E CA 0.009 56.294 56.400 -0.191 0.000 0.907 990 E CB 0.394 29.993 29.700 -0.169 0.000 0.974 990 E HN 0.144 nan 8.360 nan 0.000 0.489 991 N N 0.085 118.574 118.700 -0.352 0.000 2.284 991 N HA 0.130 4.871 4.740 0.002 0.000 0.300 991 N C -0.588 174.775 175.510 -0.245 0.000 1.047 991 N CA -0.304 52.530 53.050 -0.361 0.000 0.821 991 N CB 2.167 40.241 38.487 -0.689 0.000 1.337 991 N HN -0.031 nan 8.380 nan 0.000 0.482 992 C N 1.040 120.226 119.300 -0.190 0.000 2.487 992 C HA 0.264 4.725 4.460 0.002 0.000 0.311 992 C C 0.974 175.714 174.990 -0.416 0.000 1.367 992 C CA -0.171 58.636 59.018 -0.352 0.000 1.865 992 C CB -0.480 27.031 27.740 -0.382 0.000 2.277 992 C HN 0.881 nan 8.230 nan 0.000 0.521 993 W N 1.444 122.803 121.300 0.099 0.000 3.008 993 W HA 0.417 5.078 4.660 0.002 0.000 0.355 993 W C 0.484 177.063 176.519 0.100 0.000 1.095 993 W CA -0.317 57.103 57.345 0.125 0.000 1.738 993 W CB 0.225 29.733 29.460 0.079 0.000 1.091 993 W HN 0.023 nan 8.180 nan 0.000 0.574 994 K N 1.206 121.747 120.400 0.235 0.000 2.318 994 K HA 0.542 4.863 4.320 0.002 0.000 0.249 994 K C -0.128 176.643 176.600 0.284 0.000 0.942 994 K CA -0.826 55.617 56.287 0.260 0.000 0.808 994 K CB 2.028 34.722 32.500 0.323 0.000 1.189 994 K HN -0.418 nan 8.250 nan 0.000 0.428 995 K N 1.952 122.538 120.400 0.310 0.000 2.532 995 K HA 0.433 4.754 4.320 0.002 0.000 0.265 995 K C -0.926 175.782 176.600 0.180 0.000 0.948 995 K CA -0.863 55.599 56.287 0.291 0.000 0.842 995 K CB 2.481 35.056 32.500 0.124 0.000 1.392 995 K HN 0.507 nan 8.250 nan 0.000 0.436 996 R N -0.311 120.264 120.500 0.125 0.000 2.720 996 R HA 0.719 5.060 4.340 0.002 0.000 0.272 996 R C 0.004 176.295 176.300 -0.015 0.000 0.991 996 R CA -0.768 55.300 56.100 -0.054 0.000 1.010 996 R CB 1.789 31.950 30.300 -0.230 0.000 1.141 996 R HN 0.766 nan 8.270 nan 0.000 0.494 997 G N 0.871 109.646 108.800 -0.041 0.000 2.659 997 G HA2 0.600 4.561 3.960 0.002 0.000 0.296 997 G HA3 0.600 4.561 3.960 0.002 0.000 0.296 997 G C -2.098 172.788 174.900 -0.023 0.000 1.369 997 G CA -0.404 44.685 45.100 -0.018 0.000 0.937 997 G HN 0.341 nan 8.290 nan 0.000 0.485 998 L N 0.567 121.790 121.223 0.000 0.000 2.455 998 L HA 0.845 5.186 4.340 0.002 0.000 0.264 998 L C -1.065 175.867 176.870 0.104 0.000 0.968 998 L CA -0.541 54.309 54.840 0.016 0.000 0.827 998 L CB 2.021 44.035 42.059 -0.075 0.000 1.317 998 L HN 0.807 nan 8.230 nan 0.000 0.407 999 C N 5.222 124.605 119.300 0.138 0.000 3.006 999 C HA 0.641 5.102 4.460 0.002 0.000 0.359 999 C C -1.216 173.817 174.990 0.072 0.000 1.103 999 C CA -0.835 58.269 59.018 0.143 0.000 1.286 999 C CB 0.904 28.732 27.740 0.146 0.000 1.694 999 C HN 0.882 nan 8.230 nan 0.000 0.511 1000 I N 6.391 126.930 120.570 -0.052 0.000 2.389 1000 I HA 0.709 4.880 4.170 0.002 0.000 0.288 1000 I C -1.014 175.069 176.117 -0.057 0.000 0.999 1000 I CA -0.442 60.722 61.300 -0.227 0.000 1.129 1000 I CB 0.763 38.314 38.000 -0.749 0.000 1.288 1000 I HN 0.662 nan 8.210 nan 0.000 0.444 1001 I N 9.583 130.178 120.570 0.042 0.000 2.533 1001 I HA 0.522 4.693 4.170 0.002 0.000 0.290 1001 I C -2.444 173.819 176.117 0.244 0.000 1.056 1001 I CA -1.845 59.553 61.300 0.165 0.000 1.057 1001 I CB 2.722 40.745 38.000 0.038 0.000 1.240 1001 I HN 0.402 nan 8.210 nan 0.000 0.423 1002 P HA 0.433 nan 4.420 nan 0.000 0.285 1002 P C -0.947 176.529 177.300 0.293 0.000 1.285 1002 P CA -0.498 62.786 63.100 0.308 0.000 0.854 1002 P CB 2.269 34.116 31.700 0.245 0.000 1.180 1003 T N -1.219 113.504 114.554 0.281 0.000 2.840 1003 T HA 0.549 4.900 4.350 0.002 0.000 0.317 1003 T C -1.664 173.226 174.700 0.316 0.000 1.401 1003 T CA -0.702 61.593 62.100 0.324 0.000 1.028 1003 T CB 1.100 70.252 68.868 0.472 0.000 1.317 1003 T HN 0.676 nan 8.240 nan 0.000 0.495 1004 K N 1.897 122.489 120.400 0.321 0.000 2.435 1004 K HA 0.802 5.123 4.320 0.002 0.000 0.251 1004 K C -1.971 174.854 176.600 0.375 0.000 0.954 1004 K CA -0.884 55.600 56.287 0.328 0.000 0.820 1004 K CB 2.129 34.855 32.500 0.376 0.000 1.292 1004 K HN 0.441 nan 8.250 nan 0.000 0.436 1005 F N 0.950 120.978 119.950 0.130 0.000 2.573 1005 F HA 0.443 4.971 4.527 0.002 0.000 0.316 1005 F C -0.362 175.395 175.800 -0.072 0.000 1.148 1005 F CA -0.325 57.740 58.000 0.109 0.000 0.940 1005 F CB 2.181 41.149 39.000 -0.053 0.000 1.214 1005 F HN 0.807 nan 8.300 nan 0.000 0.448 1006 G N 6.539 114.936 108.800 -0.672 0.000 2.358 1006 G HA2 0.422 4.383 3.960 0.002 0.000 0.273 1006 G HA3 0.422 4.383 3.960 0.002 0.000 0.273 1006 G C -0.672 173.541 174.900 -1.145 0.000 1.215 1006 G CA -0.404 43.637 45.100 -1.766 0.000 0.910 1006 G HN 0.448 nan 8.290 nan 0.000 0.467 1007 I N 1.863 121.955 120.570 -0.798 0.000 2.301 1007 I HA 0.478 4.649 4.170 0.002 0.000 0.292 1007 I C 0.436 176.355 176.117 -0.329 0.000 1.046 1007 I CA -0.066 60.919 61.300 -0.524 0.000 1.282 1007 I CB -0.060 37.387 38.000 -0.921 0.000 1.409 1007 I HN 0.417 nan 8.210 nan 0.000 0.484 1008 S N 4.792 120.385 115.700 -0.179 0.000 2.866 1008 S HA 0.163 4.634 4.470 0.002 0.000 0.267 1008 S C -0.754 173.791 174.600 -0.092 0.000 0.760 1008 S CA -0.910 57.225 58.200 -0.109 0.000 0.946 1008 S CB 0.057 63.235 63.200 -0.038 0.000 1.191 1008 S HN 0.268 nan 8.310 nan 0.000 0.521 1009 F N 2.488 122.385 119.950 -0.088 0.000 2.538 1009 F HA 0.147 4.675 4.527 0.002 0.000 0.371 1009 F C 2.328 178.073 175.800 -0.092 0.000 1.087 1009 F CA 0.864 58.799 58.000 -0.108 0.000 1.250 1009 F CB 0.772 39.676 39.000 -0.159 0.000 1.110 1009 F HN 0.819 nan 8.300 nan 0.000 0.570 1010 T N -0.506 114.148 114.554 0.168 0.000 2.929 1010 T HA -0.075 4.276 4.350 0.002 0.000 0.271 1010 T C 0.624 175.383 174.700 0.098 0.000 1.085 1010 T CA 0.557 62.731 62.100 0.124 0.000 1.125 1010 T CB -0.471 68.597 68.868 0.333 0.000 0.874 1010 T HN 0.190 nan 8.240 nan 0.000 0.494 1011 V N 4.154 124.100 119.914 0.054 0.000 2.389 1011 V HA 0.220 4.341 4.120 0.002 0.000 0.264 1011 V C -1.193 174.759 176.094 -0.237 0.000 1.049 1011 V CA -1.618 60.596 62.300 -0.142 0.000 0.932 1011 V CB 1.197 32.790 31.823 -0.383 0.000 1.011 1011 V HN 0.226 nan 8.190 nan 0.000 0.475 1012 P HA -0.208 nan 4.420 nan 0.000 0.217 1012 P C 1.522 178.778 177.300 -0.073 0.000 1.151 1012 P CA 1.514 64.572 63.100 -0.071 0.000 0.849 1012 P CB -0.013 31.690 31.700 0.005 0.000 0.787 1013 F N -1.414 118.514 119.950 -0.038 0.000 2.502 1013 F HA 0.043 4.571 4.527 0.002 0.000 0.298 1013 F C 1.588 177.300 175.800 -0.147 0.000 1.111 1013 F CA 0.677 58.635 58.000 -0.070 0.000 1.445 1013 F CB -1.832 37.139 39.000 -0.049 0.000 1.081 1013 F HN -0.212 nan 8.300 nan 0.000 0.558 1014 L N 0.917 121.865 121.223 -0.458 0.000 2.456 1014 L HA -0.075 4.266 4.340 0.002 0.000 0.224 1014 L C 0.767 177.389 176.870 -0.412 0.000 1.148 1014 L CA 0.515 54.993 54.840 -0.605 0.000 0.825 1014 L CB -0.833 40.391 42.059 -1.393 0.000 0.937 1014 L HN 0.186 nan 8.230 nan 0.000 0.450 1015 N N 2.377 120.993 118.700 -0.140 0.000 3.254 1015 N HA 0.036 4.777 4.740 0.002 0.000 0.308 1015 N C -0.350 175.086 175.510 -0.124 0.000 1.281 1015 N CA 0.155 53.188 53.050 -0.027 0.000 1.212 1015 N CB 0.156 38.639 38.487 -0.007 0.000 1.478 1015 N HN 0.546 nan 8.380 nan 0.000 0.548 1016 Q N -0.978 118.731 119.800 -0.152 0.000 2.416 1016 Q HA 0.809 5.150 4.340 0.002 0.000 0.281 1016 Q C -1.842 173.961 176.000 -0.328 0.000 1.067 1016 Q CA -1.285 54.352 55.803 -0.277 0.000 0.809 1016 Q CB 2.318 30.991 28.738 -0.108 0.000 1.418 1016 Q HN 0.062 nan 8.270 nan 0.000 0.411 1017 A N 0.815 123.302 122.820 -0.555 0.000 2.491 1017 A HA 0.796 5.117 4.320 0.002 0.000 0.293 1017 A C -0.700 176.709 177.584 -0.292 0.000 1.047 1017 A CA -0.075 51.757 52.037 -0.342 0.000 0.735 1017 A CB 1.593 20.232 19.000 -0.602 0.000 1.281 1017 A HN 0.919 nan 8.150 nan 0.000 0.398 1018 G N 0.072 108.943 108.800 0.119 0.000 2.509 1018 G HA2 0.932 4.893 3.960 0.002 0.000 0.328 1018 G HA3 0.932 4.893 3.960 0.002 0.000 0.328 1018 G C -0.290 174.774 174.900 0.274 0.000 1.194 1018 G CA -0.104 45.145 45.100 0.248 0.000 0.967 1018 G HN 2.008 nan 8.290 nan 0.000 0.488 1019 A N -0.774 122.173 122.820 0.213 0.000 2.606 1019 A HA 0.757 5.078 4.320 0.002 0.000 0.293 1019 A C -1.940 175.693 177.584 0.081 0.000 1.082 1019 A CA -0.548 51.583 52.037 0.157 0.000 0.685 1019 A CB 2.013 21.103 19.000 0.151 0.000 1.284 1019 A HN 1.431 nan 8.150 nan 0.000 0.408 1020 L N 1.947 123.176 121.223 0.009 0.000 2.491 1020 L HA 0.630 4.971 4.340 0.002 0.000 0.267 1020 L C -1.565 175.154 176.870 -0.252 0.000 0.971 1020 L CA -0.138 54.640 54.840 -0.103 0.000 0.857 1020 L CB 1.352 43.352 42.059 -0.098 0.000 1.226 1020 L HN 0.606 nan 8.230 nan 0.000 0.408 1021 I N 3.853 124.259 120.570 -0.273 0.000 2.441 1021 I HA 0.459 4.631 4.170 0.002 0.000 0.295 1021 I C -0.590 175.288 176.117 -0.398 0.000 0.994 1021 I CA -0.636 60.501 61.300 -0.273 0.000 1.144 1021 I CB 1.590 39.543 38.000 -0.077 0.000 1.314 1021 I HN 0.551 nan 8.210 nan 0.000 0.445 1022 H N 4.729 123.739 119.070 -0.099 0.000 2.538 1022 H HA 0.510 5.067 4.556 0.002 0.000 0.353 1022 H C -0.781 174.359 175.328 -0.314 0.000 1.109 1022 H CA -0.717 55.164 56.048 -0.279 0.000 1.192 1022 H CB 2.754 32.207 29.762 -0.516 0.000 1.555 1022 H HN 0.221 nan 8.280 nan 0.000 0.518 1023 V N 4.832 124.659 119.914 -0.147 0.000 2.350 1023 V HA 0.205 4.326 4.120 0.002 0.000 0.285 1023 V C -0.301 175.682 176.094 -0.185 0.000 1.014 1023 V CA -0.787 61.471 62.300 -0.068 0.000 0.831 1023 V CB -0.065 31.812 31.823 0.091 0.000 1.000 1023 V HN 0.592 nan 8.190 nan 0.000 0.433 1024 Y N 1.902 122.242 120.300 0.067 0.000 2.295 1024 Y HA 0.213 4.764 4.550 0.002 0.000 0.331 1024 Y C 2.129 177.981 175.900 -0.080 0.000 1.311 1024 Y CA 0.066 58.149 58.100 -0.029 0.000 1.430 1024 Y CB 0.792 39.237 38.460 -0.024 0.000 1.339 1024 Y HN 0.703 nan 8.280 nan 0.000 0.552 1025 T N -3.441 111.126 114.554 0.021 0.000 3.113 1025 T HA -0.128 4.223 4.350 0.002 0.000 0.263 1025 T C 0.751 175.417 174.700 -0.057 0.000 1.143 1025 T CA 0.960 62.986 62.100 -0.124 0.000 1.090 1025 T CB -0.346 68.346 68.868 -0.293 0.000 0.922 1025 T HN 0.739 nan 8.240 nan 0.000 0.521 1026 D N 0.650 121.059 120.400 0.015 0.000 2.339 1026 D HA 0.195 4.836 4.640 0.002 0.000 0.217 1026 D C 1.689 178.036 176.300 0.079 0.000 1.050 1026 D CA 0.534 54.550 54.000 0.025 0.000 0.856 1026 D CB -0.597 40.216 40.800 0.022 0.000 0.922 1026 D HN 0.524 nan 8.370 nan 0.000 0.518 1027 G N 0.622 109.484 108.800 0.103 0.000 2.225 1027 G HA2 -0.316 3.646 3.960 0.002 0.000 0.254 1027 G HA3 -0.316 3.646 3.960 0.002 0.000 0.254 1027 G C 0.467 175.626 174.900 0.432 0.000 0.988 1027 G CA 0.527 45.767 45.100 0.234 0.000 0.625 1027 G HN 0.859 nan 8.290 nan 0.000 0.527 1028 S N -0.597 115.273 115.700 0.283 0.000 2.584 1028 S HA 0.601 5.072 4.470 0.002 0.000 0.270 1028 S C 0.109 174.889 174.600 0.300 0.000 1.346 1028 S CA 0.236 58.593 58.200 0.261 0.000 1.018 1028 S CB 2.128 65.441 63.200 0.187 0.000 0.899 1028 S HN 1.224 nan 8.310 nan 0.000 0.542 1029 V N 2.712 122.771 119.914 0.241 0.000 2.588 1029 V HA 0.530 4.651 4.120 0.002 0.000 0.304 1029 V C -0.743 175.474 176.094 0.205 0.000 1.042 1029 V CA -0.846 61.568 62.300 0.191 0.000 0.877 1029 V CB 1.425 33.332 31.823 0.141 0.000 0.996 1029 V HN 0.886 nan 8.190 nan 0.000 0.425 1030 L N 6.228 127.563 121.223 0.186 0.000 2.294 1030 L HA 0.655 4.996 4.340 0.002 0.000 0.283 1030 L C -0.479 176.432 176.870 0.068 0.000 1.015 1030 L CA 0.012 54.977 54.840 0.208 0.000 0.831 1030 L CB 1.507 43.783 42.059 0.362 0.000 1.217 1030 L HN 0.463 nan 8.230 nan 0.000 0.420 1031 V N 3.978 123.916 119.914 0.040 0.000 2.439 1031 V HA 0.609 4.730 4.120 0.002 0.000 0.282 1031 V C 0.231 176.317 176.094 -0.013 0.000 1.039 1031 V CA -0.306 61.997 62.300 0.006 0.000 0.913 1031 V CB 1.382 33.227 31.823 0.036 0.000 0.983 1031 V HN 0.840 nan 8.190 nan 0.000 0.460 1032 S N 3.990 119.678 115.700 -0.019 0.000 2.521 1032 S HA 0.733 5.204 4.470 0.002 0.000 0.295 1032 S C -0.913 173.698 174.600 0.018 0.000 1.098 1032 S CA -0.623 57.541 58.200 -0.059 0.000 0.999 1032 S CB 0.737 63.897 63.200 -0.067 0.000 1.034 1032 S HN 1.055 nan 8.310 nan 0.000 0.483 1033 H N 0.679 119.693 119.070 -0.094 0.000 2.990 1033 H HA 0.426 4.983 4.556 0.002 0.000 0.343 1033 H C 0.809 175.962 175.328 -0.292 0.000 1.270 1033 H CA -0.448 55.517 56.048 -0.140 0.000 1.118 1033 H CB 0.995 30.670 29.762 -0.144 0.000 1.861 1033 H HN 0.676 nan 8.280 nan 0.000 0.544 1034 G N -0.085 108.539 108.800 -0.293 0.000 2.509 1034 G HA2 0.050 4.011 3.960 0.002 0.000 0.218 1034 G HA3 0.050 4.011 3.960 0.002 0.000 0.218 1034 G C 0.725 175.286 174.900 -0.566 0.000 1.124 1034 G CA 0.407 45.330 45.100 -0.294 0.000 0.776 1034 G HN 0.802 nan 8.290 nan 0.000 0.547 1035 G N 0.325 108.500 108.800 -1.041 0.000 2.390 1035 G HA2 0.448 4.410 3.960 0.002 0.000 0.270 1035 G HA3 0.448 4.410 3.960 0.002 0.000 0.270 1035 G C 0.188 174.902 174.900 -0.309 0.000 1.211 1035 G CA 0.332 45.105 45.100 -0.545 0.000 0.842 1035 G HN 0.335 nan 8.290 nan 0.000 0.519 1036 T N -0.638 113.813 114.554 -0.172 0.000 2.928 1036 T HA 0.543 4.894 4.350 0.002 0.000 0.284 1036 T C -0.171 174.399 174.700 -0.217 0.000 1.008 1036 T CA -0.782 61.225 62.100 -0.156 0.000 1.057 1036 T CB 2.148 70.957 68.868 -0.098 0.000 1.018 1036 T HN 0.481 nan 8.240 nan 0.000 0.493 1037 E N 2.447 122.491 120.200 -0.260 0.000 2.200 1037 E HA 0.422 4.773 4.350 0.002 0.000 0.283 1037 E C 0.248 176.784 176.600 -0.106 0.000 1.015 1037 E CA -0.680 55.559 56.400 -0.268 0.000 0.819 1037 E CB 0.762 30.297 29.700 -0.274 0.000 1.081 1037 E HN 0.789 nan 8.360 nan 0.000 0.397 1038 M N 2.638 122.180 119.600 -0.096 0.000 2.625 1038 M HA 0.497 4.978 4.480 0.002 0.000 0.396 1038 M C 0.756 177.009 176.300 -0.077 0.000 1.174 1038 M CA 0.014 55.250 55.300 -0.107 0.000 0.898 1038 M CB 0.662 33.142 32.600 -0.200 0.000 1.450 1038 M HN 0.623 nan 8.290 nan 0.000 0.522 1039 G N 1.638 110.463 108.800 0.041 0.000 2.195 1039 G HA2 -0.277 3.684 3.960 0.002 0.000 0.224 1039 G HA3 -0.277 3.684 3.960 0.002 0.000 0.224 1039 G C 0.861 175.857 174.900 0.160 0.000 0.990 1039 G CA 0.492 45.664 45.100 0.120 0.000 0.639 1039 G HN 0.651 nan 8.290 nan 0.000 0.514 1040 Q N 1.427 121.266 119.800 0.065 0.000 2.472 1040 Q HA 0.308 4.649 4.340 0.002 0.000 0.208 1040 Q C 1.623 177.633 176.000 0.018 0.000 0.958 1040 Q CA 1.514 57.346 55.803 0.047 0.000 0.932 1040 Q CB -0.406 28.334 28.738 0.003 0.000 1.007 1040 Q HN 2.016 nan 8.270 nan 0.000 0.508 1041 G N 1.659 110.444 108.800 -0.026 0.000 2.149 1041 G HA2 -0.283 3.678 3.960 0.002 0.000 0.235 1041 G HA3 -0.283 3.678 3.960 0.002 0.000 0.235 1041 G C 0.335 175.125 174.900 -0.184 0.000 1.018 1041 G CA 0.332 45.287 45.100 -0.241 0.000 0.728 1041 G HN 0.370 nan 8.290 nan 0.000 0.508 1042 L N 0.495 121.618 121.223 -0.167 0.000 1.971 1042 L HA -0.048 4.293 4.340 0.002 0.000 0.215 1042 L C 2.606 179.403 176.870 -0.122 0.000 1.072 1042 L CA 3.044 57.792 54.840 -0.154 0.000 0.758 1042 L CB -0.702 41.253 42.059 -0.174 0.000 0.889 1042 L HN 0.435 nan 8.230 nan 0.000 0.433 1043 H N -0.898 118.147 119.070 -0.042 0.000 2.387 1043 H HA -0.107 4.450 4.556 0.002 0.000 0.299 1043 H C 2.139 177.406 175.328 -0.102 0.000 1.099 1043 H CA 1.805 57.830 56.048 -0.038 0.000 1.315 1043 H CB -0.953 28.767 29.762 -0.070 0.000 1.380 1043 H HN 0.401 nan 8.280 nan 0.000 0.513 1044 T N 1.151 115.657 114.554 -0.081 0.000 2.684 1044 T HA -0.126 4.225 4.350 0.002 0.000 0.267 1044 T C 2.018 176.684 174.700 -0.057 0.000 1.036 1044 T CA 1.426 63.458 62.100 -0.113 0.000 1.148 1044 T CB 0.028 68.759 68.868 -0.229 0.000 0.863 1044 T HN 0.391 nan 8.240 nan 0.000 0.436 1045 K N 0.204 120.569 120.400 -0.058 0.000 2.148 1045 K HA 0.065 4.386 4.320 0.002 0.000 0.204 1045 K C 2.246 178.838 176.600 -0.012 0.000 1.050 1045 K CA 0.850 57.119 56.287 -0.030 0.000 0.942 1045 K CB -0.101 32.379 32.500 -0.034 0.000 0.724 1045 K HN 0.222 nan 8.250 nan 0.000 0.446 1046 M N 0.338 119.925 119.600 -0.021 0.000 2.200 1046 M HA -0.082 4.399 4.480 0.002 0.000 0.265 1046 M C 2.199 178.506 176.300 0.011 0.000 1.066 1046 M CA 1.151 56.435 55.300 -0.027 0.000 1.127 1046 M CB -0.626 31.922 32.600 -0.086 0.000 1.379 1046 M HN -0.099 nan 8.290 nan 0.000 0.420 1047 V N 0.411 120.334 119.914 0.014 0.000 2.427 1047 V HA -0.250 3.871 4.120 0.002 0.000 0.248 1047 V C 2.392 178.492 176.094 0.010 0.000 1.051 1047 V CA 1.421 63.727 62.300 0.010 0.000 1.048 1047 V CB -0.609 31.215 31.823 0.001 0.000 0.666 1047 V HN 0.517 nan 8.190 nan 0.000 0.456 1048 Q N -0.649 119.157 119.800 0.010 0.000 2.050 1048 Q HA -0.169 4.172 4.340 0.002 0.000 0.202 1048 Q C 2.373 178.401 176.000 0.047 0.000 0.980 1048 Q CA 1.815 57.626 55.803 0.012 0.000 0.840 1048 Q CB -0.404 28.336 28.738 0.004 0.000 0.898 1048 Q HN 0.521 nan 8.270 nan 0.000 0.424 1049 V N 1.335 121.301 119.914 0.088 0.000 2.255 1049 V HA -0.319 3.802 4.120 0.002 0.000 0.247 1049 V C 2.344 178.533 176.094 0.159 0.000 1.051 1049 V CA 2.014 64.426 62.300 0.188 0.000 1.018 1049 V CB -1.049 30.863 31.823 0.149 0.000 0.641 1049 V HN 0.433 nan 8.190 nan 0.000 0.445 1050 A N -0.674 122.193 122.820 0.077 0.000 1.933 1050 A HA -0.234 4.087 4.320 0.002 0.000 0.218 1050 A C 2.550 180.136 177.584 0.005 0.000 1.175 1050 A CA 2.204 54.266 52.037 0.043 0.000 0.628 1050 A CB -0.714 18.298 19.000 0.019 0.000 0.814 1050 A HN 0.539 nan 8.150 nan 0.000 0.444 1051 S N -0.521 115.173 115.700 -0.010 0.000 2.402 1051 S HA -0.164 4.307 4.470 0.002 0.000 0.229 1051 S C 2.014 176.590 174.600 -0.039 0.000 1.021 1051 S CA 1.781 59.948 58.200 -0.055 0.000 0.974 1051 S CB -0.248 62.921 63.200 -0.051 0.000 0.800 1051 S HN 0.672 nan 8.310 nan 0.000 0.484 1052 K N 0.402 120.809 120.400 0.012 0.000 2.098 1052 K HA 0.250 4.571 4.320 0.002 0.000 0.203 1052 K C 2.220 178.870 176.600 0.082 0.000 1.051 1052 K CA 0.946 57.238 56.287 0.008 0.000 0.957 1052 K CB -0.610 31.850 32.500 -0.065 0.000 0.738 1052 K HN 0.306 nan 8.250 nan 0.000 0.447 1053 A N 1.514 124.434 122.820 0.167 0.000 1.858 1053 A HA -0.095 4.226 4.320 0.002 0.000 0.216 1053 A C 2.076 179.682 177.584 0.036 0.000 1.190 1053 A CA 1.424 53.548 52.037 0.144 0.000 0.617 1053 A CB -0.736 18.323 19.000 0.097 0.000 0.827 1053 A HN 0.341 nan 8.150 nan 0.000 0.443 1054 L N -1.176 120.039 121.223 -0.013 0.000 2.395 1054 L HA -0.025 4.316 4.340 0.002 0.000 0.218 1054 L C 0.048 176.870 176.870 -0.080 0.000 1.130 1054 L CA 0.487 55.291 54.840 -0.061 0.000 0.826 1054 L CB -0.329 41.608 42.059 -0.203 0.000 0.941 1054 L HN 0.370 nan 8.230 nan 0.000 0.451 1055 K N 1.456 121.822 120.400 -0.057 0.000 3.619 1055 K HA -0.182 4.139 4.320 0.002 0.000 0.275 1055 K C -0.587 175.945 176.600 -0.114 0.000 0.993 1055 K CA 0.638 56.904 56.287 -0.036 0.000 0.787 1055 K CB -2.132 30.399 32.500 0.051 0.000 1.431 1055 K HN 0.522 nan 8.250 nan 0.000 0.451 1056 I N -4.163 116.278 120.570 -0.214 0.000 2.752 1056 I HA 0.531 4.702 4.170 0.002 0.000 0.295 1056 I C -2.731 173.263 176.117 -0.204 0.000 1.219 1056 I CA -2.976 58.139 61.300 -0.308 0.000 1.030 1056 I CB 2.318 39.896 38.000 -0.705 0.000 1.259 1056 I HN -0.242 nan 8.210 nan 0.000 0.423 1057 P HA 0.128 nan 4.420 nan 0.000 0.270 1057 P C 1.011 178.261 177.300 -0.083 0.000 1.221 1057 P CA -0.114 62.930 63.100 -0.093 0.000 0.788 1057 P CB 0.568 32.227 31.700 -0.068 0.000 0.904 1058 I N -0.682 119.859 120.570 -0.047 0.000 2.493 1058 I HA -0.199 3.972 4.170 0.002 0.000 0.254 1058 I C 1.826 177.942 176.117 -0.001 0.000 1.160 1058 I CA 1.770 63.055 61.300 -0.024 0.000 1.445 1058 I CB -1.282 36.713 38.000 -0.009 0.000 1.086 1058 I HN 0.218 nan 8.210 nan 0.000 0.433 1059 S N 1.084 116.782 115.700 -0.004 0.000 2.469 1059 S HA -0.113 4.358 4.470 0.002 0.000 0.238 1059 S C 1.759 176.369 174.600 0.017 0.000 0.998 1059 S CA 0.921 59.129 58.200 0.014 0.000 0.957 1059 S CB -0.598 62.603 63.200 0.002 0.000 0.764 1059 S HN 0.591 nan 8.310 nan 0.000 0.514 1060 K N 0.523 120.918 120.400 -0.008 0.000 2.404 1060 K HA 0.358 4.679 4.320 0.002 0.000 0.194 1060 K C -0.146 176.479 176.600 0.041 0.000 1.023 1060 K CA 0.123 56.413 56.287 0.005 0.000 1.094 1060 K CB 0.108 32.571 32.500 -0.061 0.000 0.841 1060 K HN 0.492 nan 8.250 nan 0.000 0.523 1061 I N 0.045 120.646 120.570 0.051 0.000 2.530 1061 I HA 0.295 4.466 4.170 0.002 0.000 0.297 1061 I C -1.061 175.168 176.117 0.187 0.000 1.011 1061 I CA -1.301 60.053 61.300 0.090 0.000 1.107 1061 I CB 1.275 39.293 38.000 0.030 0.000 1.285 1061 I HN -0.147 nan 8.210 nan 0.000 0.436 1062 Y N 5.748 126.063 120.300 0.024 0.000 2.457 1062 Y HA 0.637 5.188 4.550 0.002 0.000 0.343 1062 Y C -1.159 174.734 175.900 -0.011 0.000 0.994 1062 Y CA -0.836 57.270 58.100 0.009 0.000 1.031 1062 Y CB 1.762 40.236 38.460 0.023 0.000 1.246 1062 Y HN 0.366 nan 8.280 nan 0.000 0.449 1063 I N 3.944 124.155 120.570 -0.598 0.000 2.433 1063 I HA 0.309 4.480 4.170 0.002 0.000 0.292 1063 I C 0.367 175.944 176.117 -0.902 0.000 1.001 1063 I CA -0.308 60.647 61.300 -0.574 0.000 1.119 1063 I CB 2.138 39.809 38.000 -0.547 0.000 1.289 1063 I HN 0.685 nan 8.210 nan 0.000 0.438 1064 S N 4.298 119.700 115.700 -0.498 0.000 2.566 1064 S HA 0.206 4.677 4.470 0.002 0.000 0.234 1064 S C 0.137 174.594 174.600 -0.239 0.000 1.075 1064 S CA 0.285 58.318 58.200 -0.278 0.000 0.926 1064 S CB 0.325 63.551 63.200 0.044 0.000 0.811 1064 S HN 0.823 nan 8.310 nan 0.000 0.518 1065 E N -0.970 119.080 120.200 -0.250 0.000 2.432 1065 E HA 0.349 4.700 4.350 0.002 0.000 0.279 1065 E C -1.708 174.779 176.600 -0.189 0.000 1.099 1065 E CA -0.961 55.341 56.400 -0.163 0.000 0.859 1065 E CB 0.711 30.380 29.700 -0.051 0.000 1.402 1065 E HN -0.038 nan 8.360 nan 0.000 0.451 1066 T N 1.235 115.711 114.554 -0.131 0.000 2.797 1066 T HA 0.644 4.995 4.350 0.002 0.000 0.279 1066 T C -0.885 173.749 174.700 -0.110 0.000 0.991 1066 T CA -0.454 61.550 62.100 -0.159 0.000 0.979 1066 T CB 1.123 69.895 68.868 -0.160 0.000 0.943 1066 T HN 0.587 nan 8.240 nan 0.000 0.444 1067 S N 0.372 116.009 115.700 -0.104 0.000 2.537 1067 S HA 0.390 4.861 4.470 0.002 0.000 0.270 1067 S C 0.945 175.504 174.600 -0.068 0.000 1.142 1067 S CA -0.681 57.469 58.200 -0.084 0.000 0.870 1067 S CB 1.334 64.494 63.200 -0.067 0.000 1.112 1067 S HN 0.692 nan 8.310 nan 0.000 0.466 1068 T N -0.862 113.651 114.554 -0.069 0.000 3.113 1068 T HA -0.055 4.296 4.350 0.002 0.000 0.263 1068 T C 0.999 175.680 174.700 -0.032 0.000 1.143 1068 T CA 1.199 63.269 62.100 -0.051 0.000 1.090 1068 T CB -0.814 68.018 68.868 -0.061 0.000 0.922 1068 T HN 0.751 nan 8.240 nan 0.000 0.521 1069 N N 1.045 119.727 118.700 -0.029 0.000 2.236 1069 N HA 0.017 4.758 4.740 0.002 0.000 0.196 1069 N C 1.297 176.815 175.510 0.014 0.000 1.114 1069 N CA 0.682 53.726 53.050 -0.009 0.000 0.859 1069 N CB -0.175 38.305 38.487 -0.012 0.000 0.982 1069 N HN 0.600 nan 8.380 nan 0.000 0.493 1070 T N -2.857 111.703 114.554 0.010 0.000 3.071 1070 T HA 0.270 4.621 4.350 0.002 0.000 0.239 1070 T C 0.392 175.107 174.700 0.026 0.000 0.997 1070 T CA 0.159 62.277 62.100 0.029 0.000 1.134 1070 T CB -0.186 68.694 68.868 0.020 0.000 0.928 1070 T HN -0.109 nan 8.240 nan 0.000 0.453 1071 V N 4.442 124.363 119.914 0.012 0.000 2.447 1071 V HA 0.523 4.644 4.120 0.002 0.000 0.292 1071 V C -2.651 173.462 176.094 0.032 0.000 1.021 1071 V CA -2.028 60.295 62.300 0.039 0.000 0.850 1071 V CB 1.634 33.483 31.823 0.044 0.000 1.005 1071 V HN 0.337 nan 8.190 nan 0.000 0.426 1072 P HA 0.387 nan 4.420 nan 0.000 0.281 1072 P C -0.170 177.158 177.300 0.046 0.000 1.264 1072 P CA -0.379 62.737 63.100 0.027 0.000 0.824 1072 P CB 0.586 32.298 31.700 0.020 0.000 1.092 1073 N N -2.043 116.667 118.700 0.017 0.000 2.721 1073 N HA -0.134 4.607 4.740 0.002 0.000 0.249 1073 N C -0.177 175.362 175.510 0.048 0.000 1.072 1073 N CA 1.063 54.123 53.050 0.017 0.000 0.710 1073 N CB -2.246 36.256 38.487 0.024 0.000 0.993 1073 N HN 0.617 nan 8.380 nan 0.000 0.547 1074 S N -2.071 113.659 115.700 0.050 0.000 2.616 1074 S HA 0.615 5.086 4.470 0.002 0.000 0.277 1074 S C 0.582 175.212 174.600 0.050 0.000 1.234 1074 S CA -0.742 57.513 58.200 0.092 0.000 1.028 1074 S CB 2.138 65.427 63.200 0.149 0.000 0.988 1074 S HN 0.154 nan 8.310 nan 0.000 0.522 1075 S N 2.869 118.595 115.700 0.043 0.000 2.584 1075 S HA 0.329 4.800 4.470 0.002 0.000 0.270 1075 S C -2.289 172.338 174.600 0.045 0.000 1.346 1075 S CA -0.661 57.500 58.200 -0.065 0.000 1.018 1075 S CB -0.413 62.612 63.200 -0.291 0.000 0.899 1075 S HN 0.637 nan 8.310 nan 0.000 0.542 1076 P HA 0.085 nan 4.420 nan 0.000 0.267 1076 P C -0.604 176.840 177.300 0.240 0.000 1.200 1076 P CA -0.062 63.107 63.100 0.116 0.000 0.772 1076 P CB -0.008 31.759 31.700 0.113 0.000 0.855 1077 T N 2.324 116.977 114.554 0.164 0.000 2.775 1077 T HA 0.480 4.831 4.350 0.002 0.000 0.281 1077 T C 0.219 174.992 174.700 0.122 0.000 0.908 1077 T CA 0.555 62.758 62.100 0.172 0.000 1.123 1077 T CB -0.667 68.241 68.868 0.067 0.000 0.879 1077 T HN 0.592 nan 8.240 nan 0.000 0.547 1078 A N 2.532 125.427 122.820 0.125 0.000 2.410 1078 A HA 0.796 5.117 4.320 0.002 0.000 0.300 1078 A C 0.522 177.913 177.584 -0.321 0.000 1.077 1078 A CA -0.218 51.806 52.037 -0.022 0.000 0.610 1078 A CB -0.194 18.846 19.000 0.068 0.000 1.371 1078 A HN 1.644 nan 8.150 nan 0.000 0.510 1079 A N -1.118 121.423 122.820 -0.465 0.000 2.979 1079 A HA 0.075 4.396 4.320 0.002 0.000 0.260 1079 A C 1.429 178.805 177.584 -0.346 0.000 1.282 1079 A CA 1.948 53.599 52.037 -0.644 0.000 0.971 1079 A CB -2.405 15.658 19.000 -1.562 0.000 1.124 1079 A HN 2.577 nan 8.150 nan 0.000 0.826 1080 S N -4.577 110.999 115.700 -0.208 0.000 2.981 1080 S HA -0.363 4.108 4.470 0.002 0.000 0.274 1080 S C 1.191 175.722 174.600 -0.115 0.000 1.297 1080 S CA 2.118 60.242 58.200 -0.127 0.000 1.266 1080 S CB -2.180 60.954 63.200 -0.110 0.000 1.542 1080 S HN 2.310 nan 8.310 nan 0.000 0.674 1081 V N -1.278 118.530 119.914 -0.177 0.000 3.649 1081 V HA 0.290 4.411 4.120 0.002 0.000 0.275 1081 V C 1.620 177.670 176.094 -0.073 0.000 1.281 1081 V CA 0.994 63.222 62.300 -0.120 0.000 1.143 1081 V CB 0.231 31.962 31.823 -0.153 0.000 0.892 1081 V HN 0.384 nan 8.190 nan 0.000 0.441 1082 S N 1.582 117.271 115.700 -0.017 0.000 2.370 1082 S HA -0.189 4.282 4.470 0.002 0.000 0.226 1082 S C 1.986 176.622 174.600 0.060 0.000 1.033 1082 S CA 2.216 60.470 58.200 0.090 0.000 1.011 1082 S CB -0.538 62.812 63.200 0.249 0.000 0.852 1082 S HN 0.760 nan 8.310 nan 0.000 0.457 1083 T N 2.513 117.076 114.554 0.015 0.000 2.746 1083 T HA -0.109 4.242 4.350 0.002 0.000 0.267 1083 T C 1.411 176.069 174.700 -0.069 0.000 1.039 1083 T CA 1.450 63.540 62.100 -0.017 0.000 1.142 1083 T CB -0.509 68.351 68.868 -0.013 0.000 0.866 1083 T HN 0.380 nan 8.240 nan 0.000 0.444 1084 D N 1.462 121.822 120.400 -0.066 0.000 2.097 1084 D HA -0.065 4.576 4.640 0.002 0.000 0.195 1084 D C 2.207 178.365 176.300 -0.237 0.000 0.989 1084 D CA 1.182 55.120 54.000 -0.104 0.000 0.827 1084 D CB -0.355 40.455 40.800 0.018 0.000 0.966 1084 D HN 0.555 nan 8.370 nan 0.000 0.456 1085 I N -2.685 117.746 120.570 -0.231 0.000 2.494 1085 I HA -0.077 4.094 4.170 0.002 0.000 0.250 1085 I C 2.084 177.969 176.117 -0.388 0.000 1.112 1085 I CA 0.627 61.745 61.300 -0.304 0.000 1.438 1085 I CB -0.721 37.117 38.000 -0.269 0.000 1.111 1085 I HN -0.148 nan 8.210 nan 0.000 0.431 1086 Y N 2.383 122.618 120.300 -0.108 0.000 2.373 1086 Y HA 0.077 4.628 4.550 0.002 0.000 0.293 1086 Y C 2.792 178.571 175.900 -0.202 0.000 1.129 1086 Y CA 0.843 58.848 58.100 -0.158 0.000 1.226 1086 Y CB -0.490 37.814 38.460 -0.261 0.000 1.000 1086 Y HN 0.225 nan 8.280 nan 0.000 0.549 1087 G N -0.194 108.542 108.800 -0.107 0.000 2.459 1087 G HA2 -0.330 3.631 3.960 0.002 0.000 0.217 1087 G HA3 -0.330 3.631 3.960 0.002 0.000 0.217 1087 G C 1.464 176.258 174.900 -0.177 0.000 1.183 1087 G CA 1.140 46.154 45.100 -0.143 0.000 0.776 1087 G HN 0.257 nan 8.290 nan 0.000 0.552 1088 Q N 0.461 120.062 119.800 -0.331 0.000 2.020 1088 Q HA 0.133 4.474 4.340 0.002 0.000 0.202 1088 Q C 2.836 178.780 176.000 -0.093 0.000 0.982 1088 Q CA 1.860 57.432 55.803 -0.384 0.000 0.838 1088 Q CB -0.724 27.395 28.738 -1.032 0.000 0.899 1088 Q HN 0.381 nan 8.270 nan 0.000 0.423 1089 A N -0.644 122.140 122.820 -0.060 0.000 1.917 1089 A HA -0.195 4.126 4.320 0.002 0.000 0.219 1089 A C 2.285 179.920 177.584 0.085 0.000 1.182 1089 A CA 1.883 53.957 52.037 0.063 0.000 0.633 1089 A CB -0.970 18.077 19.000 0.078 0.000 0.819 1089 A HN 0.279 nan 8.150 nan 0.000 0.448 1090 V N -1.676 118.275 119.914 0.061 0.000 2.270 1090 V HA -0.257 3.864 4.120 0.002 0.000 0.245 1090 V C 2.271 178.402 176.094 0.060 0.000 1.043 1090 V CA 2.021 64.354 62.300 0.055 0.000 1.014 1090 V CB -1.027 30.810 31.823 0.024 0.000 0.645 1090 V HN 0.702 nan 8.190 nan 0.000 0.447 1091 Y N 1.419 121.682 120.300 -0.062 0.000 2.040 1091 Y HA -0.321 4.230 4.550 0.002 0.000 0.275 1091 Y C 2.677 178.567 175.900 -0.015 0.000 1.171 1091 Y CA 2.372 60.434 58.100 -0.062 0.000 1.123 1091 Y CB -0.193 38.168 38.460 -0.165 0.000 0.963 1091 Y HN 0.261 nan 8.280 nan 0.000 0.493 1092 E N 0.268 120.525 120.200 0.095 0.000 2.058 1092 E HA -0.240 4.112 4.350 0.002 0.000 0.194 1092 E C 2.448 179.038 176.600 -0.016 0.000 0.997 1092 E CA 1.207 57.633 56.400 0.044 0.000 0.801 1092 E CB -0.913 28.872 29.700 0.141 0.000 0.746 1092 E HN 0.608 nan 8.360 nan 0.000 0.450 1093 A N 0.927 123.756 122.820 0.016 0.000 1.908 1093 A HA -0.215 4.106 4.320 0.002 0.000 0.218 1093 A C 2.668 180.239 177.584 -0.023 0.000 1.181 1093 A CA 1.601 53.645 52.037 0.012 0.000 0.627 1093 A CB -0.996 18.020 19.000 0.026 0.000 0.818 1093 A HN 0.357 nan 8.150 nan 0.000 0.445 1094 C N -0.901 118.360 119.300 -0.066 0.000 2.429 1094 C HA -0.112 4.349 4.460 0.002 0.000 0.277 1094 C C 2.918 177.846 174.990 -0.103 0.000 1.262 1094 C CA 1.142 60.117 59.018 -0.072 0.000 1.733 1094 C CB -1.099 26.575 27.740 -0.111 0.000 2.010 1094 C HN 0.610 nan 8.230 nan 0.000 0.483 1095 Q N 0.494 120.158 119.800 -0.227 0.000 2.061 1095 Q HA -0.159 4.182 4.340 0.002 0.000 0.204 1095 Q C 2.207 178.171 176.000 -0.059 0.000 0.984 1095 Q CA 2.175 57.867 55.803 -0.185 0.000 0.846 1095 Q CB -1.305 27.291 28.738 -0.236 0.000 0.902 1095 Q HN 0.667 nan 8.270 nan 0.000 0.421 1096 T N 1.844 116.380 114.554 -0.031 0.000 2.665 1096 T HA -0.163 4.188 4.350 0.002 0.000 0.268 1096 T C 2.079 176.795 174.700 0.028 0.000 1.035 1096 T CA 1.464 63.569 62.100 0.007 0.000 1.151 1096 T CB -0.378 68.502 68.868 0.020 0.000 0.862 1096 T HN 0.187 nan 8.240 nan 0.000 0.438 1097 I N 0.689 121.285 120.570 0.043 0.000 2.194 1097 I HA -0.177 3.994 4.170 0.002 0.000 0.246 1097 I C 2.273 178.450 176.117 0.099 0.000 1.093 1097 I CA 1.292 62.642 61.300 0.084 0.000 1.355 1097 I CB -0.426 37.654 38.000 0.133 0.000 1.046 1097 I HN 0.200 nan 8.210 nan 0.000 0.413 1098 L N -0.115 121.161 121.223 0.088 0.000 2.093 1098 L HA -0.194 4.147 4.340 0.002 0.000 0.208 1098 L C 2.571 179.462 176.870 0.034 0.000 1.085 1098 L CA 0.938 55.827 54.840 0.083 0.000 0.755 1098 L CB -0.607 41.489 42.059 0.061 0.000 0.904 1098 L HN 0.144 nan 8.230 nan 0.000 0.435 1099 K N 0.531 120.942 120.400 0.018 0.000 2.009 1099 K HA -0.146 4.175 4.320 0.002 0.000 0.210 1099 K C 2.108 178.714 176.600 0.011 0.000 1.049 1099 K CA 1.404 57.692 56.287 0.002 0.000 0.929 1099 K CB -0.549 31.952 32.500 0.001 0.000 0.714 1099 K HN 0.238 nan 8.250 nan 0.000 0.440 1100 R N 0.397 120.924 120.500 0.045 0.000 2.117 1100 R HA -0.043 4.298 4.340 0.002 0.000 0.243 1100 R C 2.345 178.746 176.300 0.168 0.000 1.143 1100 R CA 1.136 57.290 56.100 0.090 0.000 0.968 1100 R CB -0.283 30.073 30.300 0.094 0.000 0.863 1100 R HN 0.148 nan 8.270 nan 0.000 0.444 1101 L N -0.398 120.904 121.223 0.132 0.000 2.307 1101 L HA -0.024 4.317 4.340 0.002 0.000 0.211 1101 L C 2.232 179.122 176.870 0.033 0.000 1.099 1101 L CA 0.349 55.296 54.840 0.178 0.000 0.816 1101 L CB -0.245 41.868 42.059 0.090 0.000 0.952 1101 L HN 0.083 nan 8.230 nan 0.000 0.455 1102 E N 1.256 121.419 120.200 -0.062 0.000 2.108 1102 E HA -0.228 4.123 4.350 0.002 0.000 0.203 1102 E C -0.660 175.796 176.600 -0.239 0.000 1.022 1102 E CA 2.124 58.428 56.400 -0.160 0.000 0.823 1102 E CB -1.135 28.497 29.700 -0.113 0.000 0.744 1102 E HN 0.255 nan 8.360 nan 0.000 0.456 1103 P HA -0.126 nan 4.420 nan 0.000 0.215 1103 P C 1.027 178.017 177.300 -0.516 0.000 1.153 1103 P CA 1.467 64.288 63.100 -0.466 0.000 0.853 1103 P CB -0.188 31.108 31.700 -0.673 0.000 0.788 1104 F N -0.149 119.711 119.950 -0.149 0.000 2.206 1104 F HA -0.022 4.506 4.527 0.002 0.000 0.298 1104 F C 2.386 177.998 175.800 -0.313 0.000 1.090 1104 F CA 1.020 58.938 58.000 -0.137 0.000 1.323 1104 F CB -0.886 38.083 39.000 -0.052 0.000 1.028 1104 F HN -0.209 nan 8.300 nan 0.000 0.492 1105 K N 0.902 121.011 120.400 -0.484 0.000 2.074 1105 K HA -0.224 4.097 4.320 0.002 0.000 0.209 1105 K C 2.002 178.344 176.600 -0.430 0.000 1.048 1105 K CA 1.568 57.255 56.287 -0.999 0.000 0.926 1105 K CB -0.120 31.814 32.500 -0.943 0.000 0.713 1105 K HN 0.254 nan 8.250 nan 0.000 0.444 1106 K N 0.602 120.840 120.400 -0.270 0.000 1.985 1106 K HA -0.145 4.176 4.320 0.002 0.000 0.210 1106 K C 2.023 178.580 176.600 -0.071 0.000 1.047 1106 K CA 1.620 57.817 56.287 -0.150 0.000 0.932 1106 K CB -0.075 32.336 32.500 -0.147 0.000 0.716 1106 K HN 0.053 nan 8.250 nan 0.000 0.439 1107 K N 0.373 120.737 120.400 -0.060 0.000 2.218 1107 K HA -0.151 4.170 4.320 0.002 0.000 0.205 1107 K C 0.772 177.417 176.600 0.074 0.000 1.046 1107 K CA 0.943 57.236 56.287 0.010 0.000 0.933 1107 K CB -0.088 32.431 32.500 0.032 0.000 0.728 1107 K HN 0.037 nan 8.250 nan 0.000 0.454 1108 N N -0.533 118.237 118.700 0.117 0.000 2.733 1108 N HA 0.147 4.888 4.740 0.002 0.000 0.271 1108 N C -2.559 173.153 175.510 0.337 0.000 1.720 1108 N CA -1.896 51.295 53.050 0.235 0.000 0.803 1108 N CB 1.047 39.742 38.487 0.346 0.000 1.208 1108 N HN -0.204 nan 8.380 nan 0.000 0.498 1109 P HA 0.044 nan 4.420 nan 0.000 0.226 1109 P C 0.556 178.062 177.300 0.345 0.000 1.153 1109 P CA 0.771 64.008 63.100 0.228 0.000 0.777 1109 P CB 0.533 32.297 31.700 0.106 0.000 0.794 1110 D N -0.498 120.057 120.400 0.259 0.000 2.317 1110 D HA 0.019 4.660 4.640 0.002 0.000 0.211 1110 D C 1.341 177.738 176.300 0.162 0.000 0.966 1110 D CA 0.485 54.599 54.000 0.190 0.000 0.876 1110 D CB -0.346 40.523 40.800 0.116 0.000 0.927 1110 D HN 0.075 nan 8.370 nan 0.000 0.519 1111 G N 0.963 109.908 108.800 0.242 0.000 2.474 1111 G HA2 0.161 4.122 3.960 0.002 0.000 0.233 1111 G HA3 0.161 4.122 3.960 0.002 0.000 0.233 1111 G C 0.476 175.098 174.900 -0.464 0.000 1.278 1111 G CA -0.088 44.998 45.100 -0.024 0.000 0.861 1111 G HN 0.163 nan 8.290 nan 0.000 0.567 1112 S N 1.916 117.314 115.700 -0.503 0.000 2.632 1112 S HA 0.094 4.565 4.470 0.002 0.000 0.267 1112 S C 1.215 175.257 174.600 -0.931 0.000 1.276 1112 S CA -0.402 57.464 58.200 -0.557 0.000 0.998 1112 S CB 0.951 64.002 63.200 -0.248 0.000 0.953 1112 S HN 0.823 nan 8.310 nan 0.000 0.547 1113 W N 1.725 122.527 121.300 -0.830 0.000 2.321 1113 W HA -0.234 4.427 4.660 0.002 0.000 0.306 1113 W C 1.143 177.488 176.519 -0.289 0.000 1.217 1113 W CA 2.317 59.337 57.345 -0.542 0.000 1.257 1113 W CB -0.586 28.760 29.460 -0.191 0.000 1.145 1113 W HN 0.862 nan 8.180 nan 0.000 0.509 1114 E N 0.709 120.800 120.200 -0.182 0.000 2.153 1114 E HA -0.202 4.149 4.350 0.002 0.000 0.194 1114 E C 1.697 178.161 176.600 -0.226 0.000 0.988 1114 E CA 1.899 58.188 56.400 -0.185 0.000 0.811 1114 E CB -0.585 29.086 29.700 -0.049 0.000 0.746 1114 E HN 0.252 nan 8.360 nan 0.000 0.466 1115 D N -0.313 119.928 120.400 -0.265 0.000 2.084 1115 D HA -0.159 4.482 4.640 0.002 0.000 0.194 1115 D C 1.671 177.913 176.300 -0.097 0.000 0.990 1115 D CA 0.867 54.759 54.000 -0.180 0.000 0.826 1115 D CB -0.303 40.388 40.800 -0.183 0.000 0.971 1115 D HN 0.278 nan 8.370 nan 0.000 0.453 1116 W N 1.459 122.666 121.300 -0.156 0.000 2.333 1116 W HA -0.111 4.550 4.660 0.002 0.000 0.316 1116 W C 2.487 178.788 176.519 -0.362 0.000 1.215 1116 W CA 0.107 57.339 57.345 -0.187 0.000 1.278 1116 W CB -1.462 27.921 29.460 -0.129 0.000 1.154 1116 W HN -0.142 nan 8.180 nan 0.000 0.486 1117 V N 0.852 120.585 119.914 -0.302 0.000 2.252 1117 V HA -0.377 3.744 4.120 0.002 0.000 0.249 1117 V C 2.331 178.288 176.094 -0.229 0.000 1.056 1117 V CA 2.605 64.675 62.300 -0.383 0.000 1.022 1117 V CB -1.109 30.398 31.823 -0.527 0.000 0.641 1117 V HN 0.077 nan 8.190 nan 0.000 0.445 1118 M N 0.744 120.242 119.600 -0.170 0.000 2.080 1118 M HA -0.120 4.361 4.480 0.002 0.000 0.260 1118 M C 2.083 178.326 176.300 -0.096 0.000 1.068 1118 M CA 2.275 57.529 55.300 -0.076 0.000 1.109 1118 M CB -0.949 31.617 32.600 -0.057 0.000 1.342 1118 M HN 0.277 nan 8.290 nan 0.000 0.405 1119 A N -0.538 122.181 122.820 -0.169 0.000 1.940 1119 A HA 0.003 4.324 4.320 0.002 0.000 0.219 1119 A C 2.332 179.589 177.584 -0.544 0.000 1.176 1119 A CA 2.183 54.077 52.037 -0.239 0.000 0.631 1119 A CB -1.355 17.559 19.000 -0.144 0.000 0.814 1119 A HN 0.656 nan 8.150 nan 0.000 0.446 1120 A N -1.733 120.627 122.820 -0.766 0.000 1.930 1120 A HA 0.036 4.357 4.320 0.002 0.000 0.215 1120 A C 2.094 179.458 177.584 -0.366 0.000 1.176 1120 A CA 1.438 52.865 52.037 -1.016 0.000 0.632 1120 A CB -0.726 17.831 19.000 -0.738 0.000 0.819 1120 A HN 0.683 nan 8.150 nan 0.000 0.445 1121 Y N 1.103 121.224 120.300 -0.298 0.000 2.070 1121 Y HA -0.270 4.281 4.550 0.002 0.000 0.280 1121 Y C 2.561 178.388 175.900 -0.122 0.000 1.148 1121 Y CA 2.309 60.312 58.100 -0.161 0.000 1.125 1121 Y CB -0.459 37.928 38.460 -0.122 0.000 0.975 1121 Y HN 0.393 nan 8.280 nan 0.000 0.492 1122 Q N -0.551 119.086 119.800 -0.272 0.000 2.217 1122 Q HA -0.251 4.090 4.340 0.002 0.000 0.209 1122 Q C 1.308 177.174 176.000 -0.224 0.000 0.988 1122 Q CA 1.903 57.542 55.803 -0.272 0.000 0.878 1122 Q CB -0.513 28.162 28.738 -0.106 0.000 0.909 1122 Q HN 0.524 nan 8.270 nan 0.000 0.424 1123 D N -0.128 120.164 120.400 -0.180 0.000 2.328 1123 D HA 0.044 4.685 4.640 0.002 0.000 0.221 1123 D C -0.376 175.890 176.300 -0.058 0.000 1.072 1123 D CA -0.104 53.864 54.000 -0.053 0.000 0.850 1123 D CB 0.115 40.986 40.800 0.118 0.000 0.922 1123 D HN 0.105 nan 8.370 nan 0.000 0.516 1124 R N -0.885 119.516 120.500 -0.165 0.000 3.336 1124 R HA -0.135 4.206 4.340 0.002 0.000 0.260 1124 R C -0.761 175.521 176.300 -0.029 0.000 1.032 1124 R CA 0.024 56.044 56.100 -0.133 0.000 0.693 1124 R CB -2.320 27.912 30.300 -0.115 0.000 1.134 1124 R HN 0.018 nan 8.270 nan 0.000 0.433 1125 V N 0.733 120.644 119.914 -0.004 0.000 2.481 1125 V HA 0.213 4.334 4.120 0.002 0.000 0.286 1125 V C 0.935 177.057 176.094 0.047 0.000 1.042 1125 V CA -0.294 62.040 62.300 0.057 0.000 0.928 1125 V CB 1.871 33.779 31.823 0.142 0.000 0.986 1125 V HN 0.374 nan 8.190 nan 0.000 0.462 1126 S N 4.404 120.136 115.700 0.054 0.000 2.531 1126 S HA 0.311 4.782 4.470 0.002 0.000 0.279 1126 S C 0.210 174.843 174.600 0.055 0.000 1.305 1126 S CA -0.346 57.888 58.200 0.057 0.000 1.058 1126 S CB 0.048 63.280 63.200 0.052 0.000 0.899 1126 S HN 0.571 nan 8.310 nan 0.000 0.493 1127 L N 4.561 125.816 121.223 0.053 0.000 2.984 1127 L HA 0.359 4.700 4.340 0.002 0.000 0.246 1127 L C 0.325 177.226 176.870 0.051 0.000 1.268 1127 L CA -0.178 54.682 54.840 0.033 0.000 1.054 1127 L CB 0.470 42.527 42.059 -0.003 0.000 1.393 1127 L HN 0.598 nan 8.230 nan 0.000 0.532 1128 S N -0.645 115.104 115.700 0.081 0.000 2.575 1128 S HA 0.715 5.186 4.470 0.002 0.000 0.278 1128 S C -0.689 173.961 174.600 0.084 0.000 1.139 1128 S CA -0.345 57.941 58.200 0.142 0.000 0.954 1128 S CB 1.972 65.326 63.200 0.258 0.000 1.054 1128 S HN 0.074 nan 8.310 nan 0.000 0.483 1129 T N 2.013 116.589 114.554 0.037 0.000 2.889 1129 T HA 0.660 5.011 4.350 0.002 0.000 0.315 1129 T C -0.343 174.364 174.700 0.013 0.000 1.291 1129 T CA -0.106 62.012 62.100 0.030 0.000 1.028 1129 T CB 1.479 70.366 68.868 0.033 0.000 1.235 1129 T HN 1.005 nan 8.240 nan 0.000 0.491 1130 T N 0.562 115.139 114.554 0.039 0.000 2.881 1130 T HA 0.815 5.166 4.350 0.002 0.000 0.278 1130 T C 0.470 175.223 174.700 0.088 0.000 0.982 1130 T CA -0.344 61.793 62.100 0.062 0.000 0.989 1130 T CB 1.249 70.166 68.868 0.082 0.000 1.058 1130 T HN 1.013 nan 8.240 nan 0.000 0.529 1131 G N -0.306 108.575 108.800 0.134 0.000 2.659 1131 G HA2 0.633 4.594 3.960 0.002 0.000 0.296 1131 G HA3 0.633 4.594 3.960 0.002 0.000 0.296 1131 G C -2.165 172.905 174.900 0.283 0.000 1.369 1131 G CA -0.813 44.388 45.100 0.169 0.000 0.937 1131 G HN 0.710 nan 8.290 nan 0.000 0.485 1132 F N 0.909 120.920 119.950 0.102 0.000 2.608 1132 F HA 0.708 5.236 4.527 0.002 0.000 0.309 1132 F C -1.675 174.227 175.800 0.170 0.000 1.103 1132 F CA -1.036 57.032 58.000 0.114 0.000 0.954 1132 F CB 2.342 41.382 39.000 0.068 0.000 1.267 1132 F HN 0.584 nan 8.300 nan 0.000 0.444 1133 Y N 4.909 124.919 120.300 -0.483 0.000 2.545 1133 Y HA 0.700 5.251 4.550 0.002 0.000 0.348 1133 Y C -1.448 174.198 175.900 -0.422 0.000 1.002 1133 Y CA -1.149 56.778 58.100 -0.289 0.000 1.039 1133 Y CB 1.610 39.934 38.460 -0.226 0.000 1.271 1133 Y HN 0.691 nan 8.280 nan 0.000 0.467 1134 R N 2.885 122.829 120.500 -0.928 0.000 2.532 1134 R HA 0.430 4.771 4.340 0.002 0.000 0.297 1134 R C -1.313 174.330 176.300 -1.096 0.000 0.984 1134 R CA -0.543 55.144 56.100 -0.690 0.000 0.884 1134 R CB 1.502 31.650 30.300 -0.253 0.000 1.182 1134 R HN 0.827 nan 8.270 nan 0.000 0.442 1135 T N 6.818 120.943 114.554 -0.715 0.000 2.799 1135 T HA 0.190 4.541 4.350 0.002 0.000 0.296 1135 T C -2.209 172.252 174.700 -0.399 0.000 0.947 1135 T CA -0.754 61.001 62.100 -0.575 0.000 1.141 1135 T CB 0.818 69.484 68.868 -0.336 0.000 0.891 1135 T HN 0.427 nan 8.240 nan 0.000 0.533 1136 P HA 0.302 nan 4.420 nan 0.000 0.282 1136 P C -0.254 177.009 177.300 -0.063 0.000 1.249 1136 P CA -0.597 62.407 63.100 -0.161 0.000 0.806 1136 P CB 0.466 32.126 31.700 -0.068 0.000 0.984 1137 N N 0.032 118.719 118.700 -0.022 0.000 2.746 1137 N HA -0.133 4.608 4.740 0.002 0.000 0.250 1137 N C -0.861 174.657 175.510 0.014 0.000 1.055 1137 N CA 0.768 53.829 53.050 0.018 0.000 0.699 1137 N CB -1.795 36.728 38.487 0.059 0.000 0.919 1137 N HN 0.461 nan 8.380 nan 0.000 0.548 1138 L N -0.704 120.509 121.223 -0.018 0.000 2.354 1138 L HA 0.823 5.164 4.340 0.002 0.000 0.264 1138 L C 0.805 177.662 176.870 -0.021 0.000 1.008 1138 L CA -0.704 54.115 54.840 -0.034 0.000 0.819 1138 L CB 2.205 44.225 42.059 -0.065 0.000 1.339 1138 L HN 0.270 nan 8.230 nan 0.000 0.420 1139 G N 1.322 110.110 108.800 -0.021 0.000 2.344 1139 G HA2 -0.074 3.887 3.960 0.002 0.000 0.252 1139 G HA3 -0.074 3.887 3.960 0.002 0.000 0.252 1139 G C -1.570 173.352 174.900 0.037 0.000 1.415 1139 G CA -0.811 44.297 45.100 0.014 0.000 1.224 1139 G HN 0.450 nan 8.290 nan 0.000 0.616 1140 Y N 2.060 122.306 120.300 -0.091 0.000 2.301 1140 Y HA 0.748 5.299 4.550 0.002 0.000 0.325 1140 Y C 0.315 176.215 175.900 0.001 0.000 1.203 1140 Y CA -0.276 57.768 58.100 -0.095 0.000 1.255 1140 Y CB 1.989 40.312 38.460 -0.229 0.000 1.232 1140 Y HN 0.478 nan 8.280 nan 0.000 0.501 1141 S N 5.254 120.450 115.700 -0.841 0.000 2.449 1141 S HA 0.353 4.824 4.470 0.002 0.000 0.310 1141 S C 0.284 174.345 174.600 -0.897 0.000 1.096 1141 S CA -0.632 57.214 58.200 -0.590 0.000 1.095 1141 S CB 0.211 63.239 63.200 -0.285 0.000 1.007 1141 S HN 0.739 nan 8.310 nan 0.000 0.474 1142 F N 2.387 122.105 119.950 -0.386 0.000 2.187 1142 F HA 0.082 4.610 4.527 0.002 0.000 0.295 1142 F C 1.348 177.085 175.800 -0.105 0.000 1.091 1142 F CA 0.589 58.498 58.000 -0.151 0.000 1.308 1142 F CB -0.049 38.966 39.000 0.025 0.000 1.030 1142 F HN 0.594 nan 8.300 nan 0.000 0.487 1143 E N 0.687 120.935 120.200 0.079 0.000 2.166 1143 E HA 0.295 4.646 4.350 0.002 0.000 0.279 1143 E C 0.629 177.205 176.600 -0.041 0.000 1.095 1143 E CA 0.784 57.200 56.400 0.026 0.000 0.888 1143 E CB 0.353 30.069 29.700 0.028 0.000 1.041 1143 E HN 0.425 nan 8.360 nan 0.000 0.414 1144 T N 0.411 114.941 114.554 -0.040 0.000 6.560 1144 T HA -0.282 4.069 4.350 0.002 0.000 0.282 1144 T C 0.695 175.345 174.700 -0.082 0.000 2.166 1144 T CA 0.284 62.349 62.100 -0.059 0.000 3.676 1144 T CB -1.939 66.889 68.868 -0.068 0.000 0.961 1144 T HN 0.725 nan 8.240 nan 0.000 0.735 1145 N N 1.433 120.029 118.700 -0.174 0.000 2.696 1145 N HA -0.134 4.607 4.740 0.002 0.000 0.256 1145 N C -0.278 175.224 175.510 -0.014 0.000 1.031 1145 N CA 1.931 54.911 53.050 -0.116 0.000 0.730 1145 N CB -1.310 37.218 38.487 0.068 0.000 0.894 1145 N HN 1.881 nan 8.380 nan 0.000 0.544 1146 S N -1.318 114.282 115.700 -0.167 0.000 2.656 1146 S HA 0.883 5.354 4.470 0.002 0.000 0.273 1146 S C 0.185 174.780 174.600 -0.009 0.000 1.168 1146 S CA -0.038 58.162 58.200 0.000 0.000 0.817 1146 S CB 1.540 64.728 63.200 -0.020 0.000 1.146 1146 S HN 1.590 nan 8.310 nan 0.000 0.475 1147 G N 1.242 110.082 108.800 0.067 0.000 2.722 1147 G HA2 -0.078 3.883 3.960 0.002 0.000 0.686 1147 G HA3 -0.078 3.883 3.960 0.002 0.000 0.686 1147 G C -1.066 173.914 174.900 0.133 0.000 1.282 1147 G CA -0.880 44.260 45.100 0.067 0.000 0.817 1147 G HN 0.940 nan 8.290 nan 0.000 0.605 1148 N N 0.595 119.328 118.700 0.055 0.000 2.447 1148 N HA 0.328 5.069 4.740 0.002 0.000 0.263 1148 N C 1.262 176.671 175.510 -0.168 0.000 1.226 1148 N CA 0.606 53.652 53.050 -0.007 0.000 0.906 1148 N CB 1.497 39.988 38.487 0.007 0.000 1.060 1148 N HN 1.043 nan 8.380 nan 0.000 0.468 1149 A N 2.989 125.521 122.820 -0.480 0.000 1.943 1149 A HA 0.191 4.512 4.320 0.002 0.000 0.213 1149 A C 0.239 177.090 177.584 -1.222 0.000 1.181 1149 A CA 0.669 52.003 52.037 -1.171 0.000 0.653 1149 A CB 0.126 17.627 19.000 -2.498 0.000 0.833 1149 A HN 0.564 nan 8.150 nan 0.000 0.451 1150 F N -3.511 116.185 119.950 -0.423 0.000 2.598 1150 F HA 0.502 5.030 4.527 0.002 0.000 0.327 1150 F C 1.053 176.686 175.800 -0.278 0.000 1.057 1150 F CA -0.689 57.025 58.000 -0.478 0.000 0.957 1150 F CB 1.063 39.550 39.000 -0.855 0.000 1.278 1150 F HN 0.122 nan 8.300 nan 0.000 0.484 1151 H N -0.197 118.766 119.070 -0.178 0.000 2.547 1151 H HA 0.167 4.724 4.556 0.002 0.000 0.272 1151 H C -1.064 174.308 175.328 0.072 0.000 0.971 1151 H CA 0.677 56.696 56.048 -0.048 0.000 1.245 1151 H CB 0.224 29.994 29.762 0.014 0.000 1.440 1151 H HN 0.513 nan 8.280 nan 0.000 0.540 1152 Y N -4.258 115.904 120.300 -0.230 0.000 2.925 1152 Y HA 0.395 4.946 4.550 0.002 0.000 0.349 1152 Y C -1.940 173.657 175.900 -0.505 0.000 1.342 1152 Y CA -2.080 55.866 58.100 -0.258 0.000 1.093 1152 Y CB 0.396 38.759 38.460 -0.162 0.000 1.571 1152 Y HN -0.203 nan 8.280 nan 0.000 0.438 1153 F N 0.324 120.295 119.950 0.036 0.000 2.522 1153 F HA 0.729 5.257 4.527 0.002 0.000 0.324 1153 F C 0.012 175.576 175.800 -0.394 0.000 1.077 1153 F CA -0.886 56.928 58.000 -0.310 0.000 0.944 1153 F CB 2.515 41.238 39.000 -0.462 0.000 1.175 1153 F HN 0.485 nan 8.300 nan 0.000 0.468 1154 T N 1.729 116.177 114.554 -0.175 0.000 2.867 1154 T HA 0.519 4.870 4.350 0.002 0.000 0.282 1154 T C -1.231 173.301 174.700 -0.279 0.000 1.000 1154 T CA -0.434 61.579 62.100 -0.145 0.000 1.042 1154 T CB 0.510 69.407 68.868 0.048 0.000 0.973 1154 T HN 0.317 nan 8.240 nan 0.000 0.465 1155 Y N 0.188 120.568 120.300 0.133 0.000 2.499 1155 Y HA 0.701 5.252 4.550 0.002 0.000 0.347 1155 Y C 0.649 176.587 175.900 0.063 0.000 0.987 1155 Y CA -0.928 57.211 58.100 0.066 0.000 1.044 1155 Y CB 2.591 41.014 38.460 -0.061 0.000 1.245 1155 Y HN 0.892 nan 8.280 nan 0.000 0.461 1156 G N 0.364 109.314 108.800 0.250 0.000 2.660 1156 G HA2 0.648 4.609 3.960 0.002 0.000 0.290 1156 G HA3 0.648 4.609 3.960 0.002 0.000 0.290 1156 G C -2.297 172.711 174.900 0.179 0.000 1.432 1156 G CA -0.768 44.438 45.100 0.177 0.000 0.807 1156 G HN 0.477 nan 8.290 nan 0.000 0.485 1157 V N -0.440 119.557 119.914 0.138 0.000 2.851 1157 V HA 0.847 4.968 4.120 0.002 0.000 0.307 1157 V C -0.231 175.900 176.094 0.062 0.000 1.129 1157 V CA -0.217 62.166 62.300 0.137 0.000 0.932 1157 V CB 1.643 33.560 31.823 0.157 0.000 1.024 1157 V HN 1.695 nan 8.190 nan 0.000 0.426 1158 A N 2.561 125.414 122.820 0.055 0.000 2.475 1158 A HA 0.880 5.201 4.320 0.002 0.000 0.301 1158 A C -1.043 176.536 177.584 -0.009 0.000 1.059 1158 A CA -0.479 51.573 52.037 0.025 0.000 0.710 1158 A CB 1.898 20.965 19.000 0.111 0.000 1.288 1158 A HN 1.398 nan 8.150 nan 0.000 0.408 1159 C N 1.453 120.735 119.300 -0.029 0.000 2.482 1159 C HA 0.872 5.333 4.460 0.002 0.000 0.317 1159 C C -0.353 174.653 174.990 0.026 0.000 1.197 1159 C CA -0.110 58.893 59.018 -0.026 0.000 1.432 1159 C CB 0.440 28.130 27.740 -0.084 0.000 2.062 1159 C HN 0.893 nan 8.230 nan 0.000 0.471 1160 S N 3.340 119.078 115.700 0.063 0.000 2.542 1160 S HA 0.620 5.091 4.470 0.002 0.000 0.293 1160 S C -1.294 173.330 174.600 0.040 0.000 1.089 1160 S CA -0.468 57.773 58.200 0.068 0.000 0.961 1160 S CB 1.719 64.996 63.200 0.128 0.000 1.062 1160 S HN 0.891 nan 8.310 nan 0.000 0.483 1161 E N 1.714 121.921 120.200 0.012 0.000 2.210 1161 E HA 0.633 4.984 4.350 0.002 0.000 0.266 1161 E C -1.164 175.420 176.600 -0.026 0.000 0.883 1161 E CA -0.793 55.593 56.400 -0.023 0.000 0.761 1161 E CB 1.335 31.001 29.700 -0.056 0.000 1.156 1161 E HN 0.513 nan 8.360 nan 0.000 0.412 1162 V N 0.785 120.676 119.914 -0.039 0.000 3.074 1162 V HA 0.685 4.806 4.120 0.002 0.000 0.314 1162 V C -0.906 175.150 176.094 -0.064 0.000 1.117 1162 V CA -0.862 61.423 62.300 -0.025 0.000 1.014 1162 V CB 1.801 33.611 31.823 -0.022 0.000 1.057 1162 V HN 0.830 nan 8.190 nan 0.000 0.438 1163 E N 2.563 122.742 120.200 -0.035 0.000 2.241 1163 E HA 0.609 4.960 4.350 0.002 0.000 0.263 1163 E C -0.840 175.789 176.600 0.048 0.000 0.882 1163 E CA -0.909 55.459 56.400 -0.053 0.000 0.769 1163 E CB 2.005 31.619 29.700 -0.143 0.000 1.185 1163 E HN 0.989 nan 8.360 nan 0.000 0.415 1164 I N 0.689 121.300 120.570 0.067 0.000 2.677 1164 I HA 0.514 4.685 4.170 0.002 0.000 0.305 1164 I C -0.324 175.866 176.117 0.122 0.000 0.988 1164 I CA -0.754 60.607 61.300 0.102 0.000 1.260 1164 I CB 1.503 39.544 38.000 0.068 0.000 1.410 1164 I HN 0.420 nan 8.210 nan 0.000 0.523 1165 D N 4.493 124.961 120.400 0.112 0.000 2.443 1165 D HA 0.255 4.896 4.640 0.002 0.000 0.221 1165 D C 0.661 177.035 176.300 0.124 0.000 1.097 1165 D CA -0.542 53.529 54.000 0.118 0.000 0.865 1165 D CB 1.135 41.980 40.800 0.075 0.000 1.034 1165 D HN 0.729 nan 8.370 nan 0.000 0.511 1166 C N 3.212 122.619 119.300 0.178 0.000 2.409 1166 C HA -0.054 4.407 4.460 0.002 0.000 0.288 1166 C C 2.492 177.591 174.990 0.182 0.000 1.395 1166 C CA 0.068 59.204 59.018 0.196 0.000 1.792 1166 C CB -0.986 26.921 27.740 0.278 0.000 1.847 1166 C HN 0.660 nan 8.230 nan 0.000 0.534 1167 L N 0.847 122.148 121.223 0.129 0.000 2.509 1167 L HA 0.003 4.344 4.340 0.002 0.000 0.222 1167 L C 2.444 179.277 176.870 -0.063 0.000 1.123 1167 L CA 1.589 56.416 54.840 -0.022 0.000 0.856 1167 L CB -0.256 41.703 42.059 -0.166 0.000 0.985 1167 L HN 0.591 nan 8.230 nan 0.000 0.456 1168 T N -6.633 107.914 114.554 -0.011 0.000 2.980 1168 T HA 0.246 4.597 4.350 0.002 0.000 0.252 1168 T C 1.442 176.145 174.700 0.005 0.000 0.962 1168 T CA 0.573 62.659 62.100 -0.023 0.000 0.932 1168 T CB 0.997 69.847 68.868 -0.029 0.000 1.188 1168 T HN 0.207 nan 8.240 nan 0.000 0.500 1169 G N 1.560 110.380 108.800 0.034 0.000 2.179 1169 G HA2 -0.225 3.736 3.960 0.002 0.000 0.260 1169 G HA3 -0.225 3.736 3.960 0.002 0.000 0.260 1169 G C -0.173 174.769 174.900 0.071 0.000 0.977 1169 G CA 0.235 45.365 45.100 0.049 0.000 0.641 1169 G HN 0.765 nan 8.290 nan 0.000 0.533 1170 D N 1.146 121.574 120.400 0.048 0.000 2.357 1170 D HA 0.517 5.158 4.640 0.002 0.000 0.242 1170 D C 0.714 177.074 176.300 0.099 0.000 1.153 1170 D CA 0.439 54.460 54.000 0.034 0.000 0.918 1170 D CB 0.323 41.110 40.800 -0.022 0.000 1.181 1170 D HN 0.619 nan 8.370 nan 0.000 0.435 1171 H N -1.650 117.407 119.070 -0.022 0.000 3.016 1171 H HA 0.489 5.046 4.556 0.002 0.000 0.362 1171 H C -1.208 174.101 175.328 -0.032 0.000 1.233 1171 H CA -0.956 55.077 56.048 -0.025 0.000 1.124 1171 H CB 0.830 30.572 29.762 -0.033 0.000 1.850 1171 H HN 0.256 nan 8.280 nan 0.000 0.549 1172 K N 1.930 122.342 120.400 0.021 0.000 2.270 1172 K HA 0.334 4.655 4.320 0.002 0.000 0.255 1172 K C -0.733 175.901 176.600 0.056 0.000 0.936 1172 K CA -1.044 55.219 56.287 -0.040 0.000 0.809 1172 K CB 1.690 34.169 32.500 -0.036 0.000 1.131 1172 K HN 0.411 nan 8.250 nan 0.000 0.427 1173 N N 3.258 121.976 118.700 0.030 0.000 2.411 1173 N HA 0.115 4.856 4.740 0.002 0.000 0.259 1173 N C 0.482 175.987 175.510 -0.008 0.000 1.103 1173 N CA -0.059 53.016 53.050 0.042 0.000 0.954 1173 N CB 1.063 39.566 38.487 0.026 0.000 1.085 1173 N HN 0.527 nan 8.380 nan 0.000 0.485 1174 L N 1.417 122.631 121.223 -0.015 0.000 2.130 1174 L HA 0.191 4.532 4.340 0.002 0.000 0.200 1174 L C 1.014 177.870 176.870 -0.023 0.000 1.075 1174 L CA 0.694 55.513 54.840 -0.035 0.000 0.768 1174 L CB 0.144 42.162 42.059 -0.067 0.000 0.933 1174 L HN 0.416 nan 8.230 nan 0.000 0.451 1175 R N -0.908 119.582 120.500 -0.016 0.000 2.561 1175 R HA 0.390 4.731 4.340 0.002 0.000 0.266 1175 R C -1.714 174.590 176.300 0.006 0.000 1.091 1175 R CA -0.285 55.813 56.100 -0.003 0.000 0.927 1175 R CB 2.094 32.386 30.300 -0.013 0.000 1.240 1175 R HN -0.194 nan 8.270 nan 0.000 0.449 1176 T N 2.593 117.157 114.554 0.018 0.000 2.921 1176 T HA 0.384 4.735 4.350 0.002 0.000 0.297 1176 T C -1.617 173.078 174.700 -0.008 0.000 1.013 1176 T CA -0.727 61.371 62.100 -0.004 0.000 0.990 1176 T CB 1.385 70.201 68.868 -0.087 0.000 1.023 1176 T HN 0.441 nan 8.240 nan 0.000 0.447 1177 D N 2.832 123.204 120.400 -0.047 0.000 2.649 1177 D HA 0.527 5.168 4.640 0.002 0.000 0.249 1177 D C -0.646 175.600 176.300 -0.090 0.000 1.112 1177 D CA -0.322 53.637 54.000 -0.067 0.000 0.850 1177 D CB 2.288 43.052 40.800 -0.060 0.000 1.399 1177 D HN 0.377 nan 8.370 nan 0.000 0.503 1178 I N 1.508 122.015 120.570 -0.106 0.000 2.582 1178 I HA 0.319 4.490 4.170 0.002 0.000 0.292 1178 I C -0.613 175.467 176.117 -0.062 0.000 1.066 1178 I CA -1.010 60.240 61.300 -0.084 0.000 1.053 1178 I CB 2.594 40.525 38.000 -0.114 0.000 1.241 1178 I HN -0.048 nan 8.210 nan 0.000 0.421 1179 V N 6.403 126.301 119.914 -0.027 0.000 2.409 1179 V HA 0.461 4.582 4.120 0.002 0.000 0.290 1179 V C -0.120 175.989 176.094 0.026 0.000 1.017 1179 V CA -0.454 61.839 62.300 -0.011 0.000 0.841 1179 V CB 1.629 33.444 31.823 -0.013 0.000 1.003 1179 V HN 0.595 nan 8.190 nan 0.000 0.426 1180 M N 3.336 122.951 119.600 0.026 0.000 2.364 1180 M HA 0.424 4.905 4.480 0.002 0.000 0.334 1180 M C -0.591 175.744 176.300 0.059 0.000 1.107 1180 M CA -0.556 54.777 55.300 0.056 0.000 0.988 1180 M CB 1.672 34.300 32.600 0.046 0.000 1.673 1180 M HN 0.732 nan 8.290 nan 0.000 0.441 1181 D N 2.844 123.302 120.400 0.096 0.000 2.441 1181 D HA 0.298 4.939 4.640 0.002 0.000 0.221 1181 D C 0.456 176.810 176.300 0.090 0.000 1.156 1181 D CA -0.362 53.699 54.000 0.102 0.000 0.896 1181 D CB 0.509 41.410 40.800 0.170 0.000 1.028 1181 D HN 0.389 nan 8.370 nan 0.000 0.509 1182 V N 2.100 122.047 119.914 0.055 0.000 3.099 1182 V HA 0.589 4.710 4.120 0.002 0.000 0.356 1182 V C 1.199 177.304 176.094 0.019 0.000 1.364 1182 V CA 0.235 62.560 62.300 0.042 0.000 1.229 1182 V CB -0.536 31.305 31.823 0.031 0.000 1.227 1182 V HN 0.650 nan 8.190 nan 0.000 0.493 1183 G N 1.735 110.544 108.800 0.014 0.000 2.574 1183 G HA2 -0.264 3.697 3.960 0.002 0.000 0.282 1183 G HA3 -0.264 3.697 3.960 0.002 0.000 0.282 1183 G C 0.097 174.992 174.900 -0.009 0.000 1.257 1183 G CA 0.095 45.187 45.100 -0.013 0.000 0.956 1183 G HN 1.235 nan 8.290 nan 0.000 0.560 1184 S N 0.492 116.182 115.700 -0.016 0.000 2.955 1184 S HA 0.527 4.998 4.470 0.002 0.000 0.294 1184 S C 0.580 175.177 174.600 -0.005 0.000 1.198 1184 S CA 0.607 58.801 58.200 -0.011 0.000 1.008 1184 S CB 0.968 64.161 63.200 -0.012 0.000 1.279 1184 S HN 1.499 nan 8.310 nan 0.000 0.508 1185 S N 2.759 118.456 115.700 -0.004 0.000 2.553 1185 S HA 0.042 4.513 4.470 0.002 0.000 0.293 1185 S C 1.188 175.787 174.600 -0.000 0.000 1.296 1185 S CA -0.363 57.836 58.200 -0.001 0.000 1.046 1185 S CB 0.075 63.273 63.200 -0.003 0.000 0.810 1185 S HN 0.657 nan 8.310 nan 0.000 0.505 1186 L N 2.718 123.945 121.223 0.007 0.000 2.270 1186 L HA 0.191 4.532 4.340 0.002 0.000 0.210 1186 L C 1.119 177.985 176.870 -0.006 0.000 1.104 1186 L CA 0.398 55.244 54.840 0.010 0.000 0.804 1186 L CB -0.261 41.814 42.059 0.026 0.000 0.937 1186 L HN 0.672 nan 8.230 nan 0.000 0.450 1187 N N -0.746 117.950 118.700 -0.006 0.000 2.932 1187 N HA 0.103 4.845 4.740 0.002 0.000 0.242 1187 N C -2.309 173.197 175.510 -0.007 0.000 1.351 1187 N CA -0.947 52.097 53.050 -0.009 0.000 0.785 1187 N CB 1.441 39.922 38.487 -0.011 0.000 1.501 1187 N HN -0.276 nan 8.380 nan 0.000 0.584 1188 P HA -0.149 nan 4.420 nan 0.000 0.216 1188 P C 1.183 178.477 177.300 -0.010 0.000 1.150 1188 P CA 1.345 64.438 63.100 -0.012 0.000 0.843 1188 P CB 0.301 31.991 31.700 -0.016 0.000 0.787 1189 A N 0.235 123.051 122.820 -0.006 0.000 1.883 1189 A HA -0.200 4.121 4.320 0.002 0.000 0.217 1189 A C 2.232 179.822 177.584 0.010 0.000 1.186 1189 A CA 1.833 53.871 52.037 0.000 0.000 0.624 1189 A CB -1.479 17.527 19.000 0.009 0.000 0.822 1189 A HN 0.034 nan 8.150 nan 0.000 0.444 1190 I N 0.626 121.204 120.570 0.014 0.000 2.163 1190 I HA -0.206 3.965 4.170 0.002 0.000 0.243 1190 I C 1.839 177.969 176.117 0.022 0.000 1.085 1190 I CA 1.659 62.973 61.300 0.024 0.000 1.347 1190 I CB -1.655 36.349 38.000 0.008 0.000 1.044 1190 I HN 0.288 nan 8.210 nan 0.000 0.408 1191 D N 0.675 121.081 120.400 0.010 0.000 2.117 1191 D HA -0.086 4.555 4.640 0.002 0.000 0.198 1191 D C 2.414 178.715 176.300 0.002 0.000 0.982 1191 D CA 0.967 54.972 54.000 0.009 0.000 0.828 1191 D CB -0.153 40.650 40.800 0.005 0.000 0.967 1191 D HN 0.294 nan 8.370 nan 0.000 0.464 1192 I N 0.969 121.529 120.570 -0.015 0.000 2.264 1192 I HA -0.186 3.985 4.170 0.002 0.000 0.248 1192 I C 2.434 178.530 176.117 -0.035 0.000 1.111 1192 I CA 1.310 62.584 61.300 -0.044 0.000 1.382 1192 I CB -0.374 37.585 38.000 -0.068 0.000 1.060 1192 I HN 0.030 nan 8.210 nan 0.000 0.418 1193 G N -0.236 108.564 108.800 -0.001 0.000 2.408 1193 G HA2 -0.207 3.754 3.960 0.002 0.000 0.217 1193 G HA3 -0.207 3.754 3.960 0.002 0.000 0.217 1193 G C 1.593 176.532 174.900 0.065 0.000 1.150 1193 G CA 0.282 45.401 45.100 0.031 0.000 0.776 1193 G HN 0.283 nan 8.290 nan 0.000 0.542 1194 Q N 0.085 119.924 119.800 0.063 0.000 2.123 1194 Q HA 0.029 4.370 4.340 0.002 0.000 0.199 1194 Q C 2.966 179.020 176.000 0.090 0.000 0.966 1194 Q CA 0.670 56.525 55.803 0.085 0.000 0.845 1194 Q CB -0.457 28.319 28.738 0.063 0.000 0.907 1194 Q HN 0.412 nan 8.270 nan 0.000 0.439 1195 V N 1.417 121.368 119.914 0.062 0.000 2.307 1195 V HA -0.239 3.882 4.120 0.002 0.000 0.245 1195 V C 2.132 178.303 176.094 0.128 0.000 1.045 1195 V CA 1.813 64.157 62.300 0.075 0.000 1.024 1195 V CB -0.465 31.371 31.823 0.021 0.000 0.651 1195 V HN 0.367 nan 8.190 nan 0.000 0.449 1196 E N 0.309 120.550 120.200 0.068 0.000 2.058 1196 E HA -0.178 4.173 4.350 0.002 0.000 0.194 1196 E C 2.319 179.104 176.600 0.309 0.000 0.997 1196 E CA 1.358 57.854 56.400 0.159 0.000 0.801 1196 E CB -0.563 29.129 29.700 -0.013 0.000 0.746 1196 E HN 0.640 nan 8.360 nan 0.000 0.450 1197 G N 1.196 110.117 108.800 0.200 0.000 2.459 1197 G HA2 -0.286 3.675 3.960 0.002 0.000 0.217 1197 G HA3 -0.286 3.675 3.960 0.002 0.000 0.217 1197 G C 1.712 176.716 174.900 0.173 0.000 1.183 1197 G CA 1.026 46.237 45.100 0.185 0.000 0.776 1197 G HN 0.361 nan 8.290 nan 0.000 0.552 1198 A N 0.258 123.184 122.820 0.177 0.000 1.902 1198 A HA 0.041 4.362 4.320 0.002 0.000 0.217 1198 A C 2.191 179.859 177.584 0.140 0.000 1.181 1198 A CA 1.658 53.779 52.037 0.139 0.000 0.623 1198 A CB -0.553 18.518 19.000 0.118 0.000 0.818 1198 A HN 0.442 nan 8.150 nan 0.000 0.443 1199 F N 0.445 120.450 119.950 0.092 0.000 2.075 1199 F HA -0.147 4.381 4.527 0.002 0.000 0.297 1199 F C 2.243 178.071 175.800 0.046 0.000 1.113 1199 F CA 2.045 60.105 58.000 0.100 0.000 1.218 1199 F CB -0.334 38.778 39.000 0.187 0.000 0.984 1199 F HN 0.018 nan 8.300 nan 0.000 0.472 1200 V N 0.369 120.419 119.914 0.227 0.000 2.469 1200 V HA -0.339 3.782 4.120 0.002 0.000 0.251 1200 V C 2.372 178.374 176.094 -0.153 0.000 1.064 1200 V CA 2.349 64.660 62.300 0.018 0.000 1.066 1200 V CB -0.671 31.212 31.823 0.100 0.000 0.667 1200 V HN 0.482 nan 8.190 nan 0.000 0.461 1201 Q N -0.648 119.078 119.800 -0.124 0.000 2.123 1201 Q HA -0.088 4.253 4.340 0.002 0.000 0.199 1201 Q C 2.276 178.100 176.000 -0.293 0.000 0.966 1201 Q CA 1.371 57.062 55.803 -0.186 0.000 0.845 1201 Q CB -0.298 28.359 28.738 -0.135 0.000 0.907 1201 Q HN 0.703 nan 8.270 nan 0.000 0.439 1202 G N 1.212 109.838 108.800 -0.291 0.000 2.421 1202 G HA2 -0.262 3.699 3.960 0.002 0.000 0.216 1202 G HA3 -0.262 3.699 3.960 0.002 0.000 0.216 1202 G C 1.339 176.034 174.900 -0.340 0.000 1.171 1202 G CA 0.920 45.810 45.100 -0.349 0.000 0.775 1202 G HN 0.413 nan 8.290 nan 0.000 0.543 1203 L N 1.892 122.866 121.223 -0.415 0.000 2.081 1203 L HA 0.076 4.417 4.340 0.002 0.000 0.212 1203 L C 2.472 179.211 176.870 -0.218 0.000 1.080 1203 L CA 2.494 57.145 54.840 -0.315 0.000 0.754 1203 L CB -1.252 40.556 42.059 -0.418 0.000 0.893 1203 L HN 0.125 nan 8.230 nan 0.000 0.433 1204 G N -0.049 108.587 108.800 -0.274 0.000 2.433 1204 G HA2 -0.273 3.688 3.960 0.002 0.000 0.216 1204 G HA3 -0.273 3.688 3.960 0.002 0.000 0.216 1204 G C 1.567 176.265 174.900 -0.337 0.000 1.186 1204 G CA 0.912 45.846 45.100 -0.276 0.000 0.779 1204 G HN 0.479 nan 8.290 nan 0.000 0.543 1205 L N -0.208 120.717 121.223 -0.496 0.000 2.042 1205 L HA 0.089 4.430 4.340 0.002 0.000 0.210 1205 L C 2.270 178.748 176.870 -0.654 0.000 1.076 1205 L CA 1.643 56.069 54.840 -0.690 0.000 0.749 1205 L CB -0.587 40.843 42.059 -1.048 0.000 0.893 1205 L HN 0.275 nan 8.230 nan 0.000 0.432 1206 F N -1.593 118.179 119.950 -0.296 0.000 2.754 1206 F HA 0.071 4.599 4.527 0.002 0.000 0.297 1206 F C 1.784 177.541 175.800 -0.073 0.000 1.122 1206 F CA 0.590 58.424 58.000 -0.278 0.000 1.400 1206 F CB -0.061 38.761 39.000 -0.297 0.000 1.117 1206 F HN 0.291 nan 8.300 nan 0.000 0.587 1207 T N -5.024 109.561 114.554 0.052 0.000 3.029 1207 T HA 0.183 4.534 4.350 0.002 0.000 0.256 1207 T C 1.034 175.738 174.700 0.006 0.000 0.914 1207 T CA 0.109 62.246 62.100 0.062 0.000 0.880 1207 T CB 0.034 68.953 68.868 0.085 0.000 1.246 1207 T HN -0.014 nan 8.240 nan 0.000 0.523 1208 L N 0.769 121.936 121.223 -0.095 0.000 2.586 1208 L HA 0.557 4.898 4.340 0.002 0.000 0.204 1208 L C 0.468 177.187 176.870 -0.251 0.000 1.053 1208 L CA 0.574 55.323 54.840 -0.153 0.000 0.856 1208 L CB -0.273 41.671 42.059 -0.191 0.000 1.192 1208 L HN 0.266 nan 8.230 nan 0.000 0.484 1209 E N 1.227 121.227 120.200 -0.334 0.000 2.223 1209 E HA 0.220 4.571 4.350 0.002 0.000 0.282 1209 E C -0.285 176.137 176.600 -0.297 0.000 1.046 1209 E CA 0.097 56.161 56.400 -0.560 0.000 0.857 1209 E CB 0.782 30.143 29.700 -0.565 0.000 1.055 1209 E HN 0.073 nan 8.360 nan 0.000 0.409 1210 E N 4.136 124.187 120.200 -0.248 0.000 2.265 1210 E HA 0.217 4.568 4.350 0.002 0.000 0.262 1210 E C -1.203 175.552 176.600 0.260 0.000 0.889 1210 E CA -0.541 55.889 56.400 0.050 0.000 0.789 1210 E CB 0.995 30.713 29.700 0.030 0.000 1.221 1210 E HN 0.411 nan 8.360 nan 0.000 0.414 1211 L N 3.758 125.162 121.223 0.302 0.000 2.326 1211 L HA 0.363 4.704 4.340 0.002 0.000 0.278 1211 L C -0.184 176.761 176.870 0.125 0.000 1.092 1211 L CA -0.345 54.599 54.840 0.174 0.000 0.810 1211 L CB 0.660 42.780 42.059 0.102 0.000 1.153 1211 L HN 0.501 nan 8.230 nan 0.000 0.439 1212 H N 2.231 121.194 119.070 -0.177 0.000 2.759 1212 H HA 0.509 5.066 4.556 0.002 0.000 0.354 1212 H C -1.569 173.578 175.328 -0.303 0.000 1.074 1212 H CA -0.505 55.498 56.048 -0.074 0.000 1.226 1212 H CB 1.118 30.930 29.762 0.083 0.000 1.648 1212 H HN 0.309 nan 8.280 nan 0.000 0.529 1213 Y N 1.638 121.582 120.300 -0.593 0.000 2.509 1213 Y HA 0.337 4.889 4.550 0.002 0.000 0.341 1213 Y C 0.643 176.186 175.900 -0.595 0.000 1.038 1213 Y CA -0.750 57.056 58.100 -0.490 0.000 1.089 1213 Y CB 1.751 40.052 38.460 -0.266 0.000 1.241 1213 Y HN 0.727 nan 8.280 nan 0.000 0.468 1214 S N 1.366 116.806 115.700 -0.434 0.000 2.589 1214 S HA 0.138 4.609 4.470 0.002 0.000 0.265 1214 S C -1.994 172.562 174.600 -0.073 0.000 1.342 1214 S CA -0.892 57.179 58.200 -0.215 0.000 1.005 1214 S CB 0.876 63.973 63.200 -0.171 0.000 0.909 1214 S HN 0.498 nan 8.310 nan 0.000 0.555 1215 P HA 0.008 nan 4.420 nan 0.000 0.222 1215 P C 0.620 177.905 177.300 -0.025 0.000 1.147 1215 P CA 0.935 64.026 63.100 -0.013 0.000 0.790 1215 P CB -0.038 31.669 31.700 0.012 0.000 0.780 1216 E N -1.381 118.805 120.200 -0.023 0.000 2.435 1216 E HA 0.191 4.542 4.350 0.002 0.000 0.195 1216 E C 1.472 178.051 176.600 -0.035 0.000 1.029 1216 E CA 0.834 57.218 56.400 -0.025 0.000 0.865 1216 E CB -0.722 28.967 29.700 -0.018 0.000 0.833 1216 E HN 0.205 nan 8.360 nan 0.000 0.510 1217 G N 0.113 108.889 108.800 -0.040 0.000 2.148 1217 G HA2 -0.237 3.724 3.960 0.002 0.000 0.203 1217 G HA3 -0.237 3.724 3.960 0.002 0.000 0.203 1217 G C 0.262 175.192 174.900 0.051 0.000 0.993 1217 G CA 0.191 45.271 45.100 -0.034 0.000 0.661 1217 G HN 0.227 nan 8.290 nan 0.000 0.518 1218 S N 0.095 115.801 115.700 0.010 0.000 2.438 1218 S HA 0.618 5.089 4.470 0.002 0.000 0.293 1218 S C 0.430 174.978 174.600 -0.087 0.000 1.141 1218 S CA -0.588 57.608 58.200 -0.006 0.000 1.080 1218 S CB 0.788 63.958 63.200 -0.050 0.000 0.978 1218 S HN 1.088 nan 8.310 nan 0.000 0.479 1219 L N 6.406 127.620 121.223 -0.014 0.000 2.513 1219 L HA 0.212 4.553 4.340 0.002 0.000 0.272 1219 L C 0.963 177.727 176.870 -0.177 0.000 1.187 1219 L CA 0.771 55.440 54.840 -0.285 0.000 0.895 1219 L CB 0.340 42.264 42.059 -0.224 0.000 1.147 1219 L HN 0.778 nan 8.230 nan 0.000 0.483 1220 H N 1.644 120.630 119.070 -0.139 0.000 2.520 1220 H HA 0.111 4.668 4.556 0.002 0.000 0.279 1220 H C 0.382 175.708 175.328 -0.002 0.000 0.990 1220 H CA 1.000 57.036 56.048 -0.019 0.000 1.288 1220 H CB 0.005 29.806 29.762 0.065 0.000 1.446 1220 H HN 0.692 nan 8.280 nan 0.000 0.538 1221 T N 0.009 114.613 114.554 0.082 0.000 3.162 1221 T HA 0.381 4.732 4.350 0.002 0.000 0.316 1221 T C 0.695 175.427 174.700 0.053 0.000 1.182 1221 T CA -0.670 61.492 62.100 0.103 0.000 1.015 1221 T CB 0.245 69.213 68.868 0.165 0.000 1.089 1221 T HN 0.184 nan 8.240 nan 0.000 0.646 1222 R N 1.847 122.394 120.500 0.079 0.000 2.662 1222 R HA 0.484 4.825 4.340 0.002 0.000 0.396 1222 R C 0.662 177.025 176.300 0.104 0.000 1.096 1222 R CA -0.604 55.531 56.100 0.059 0.000 1.081 1222 R CB 1.104 31.437 30.300 0.054 0.000 1.382 1222 R HN 0.772 nan 8.270 nan 0.000 0.580 1223 G N 0.416 109.321 108.800 0.175 0.000 2.506 1223 G HA2 0.164 4.125 3.960 0.002 0.000 0.292 1223 G HA3 0.164 4.125 3.960 0.002 0.000 0.292 1223 G C -2.553 172.530 174.900 0.304 0.000 1.425 1223 G CA -0.792 44.455 45.100 0.243 0.000 0.788 1223 G HN -0.293 nan 8.290 nan 0.000 0.490 1224 P HA -0.117 nan 4.420 nan 0.000 0.221 1224 P C 1.970 179.313 177.300 0.071 0.000 1.145 1224 P CA 2.026 65.210 63.100 0.140 0.000 0.795 1224 P CB 0.099 31.887 31.700 0.148 0.000 0.775 1225 S N -0.512 115.242 115.700 0.089 0.000 2.423 1225 S HA -0.091 4.380 4.470 0.002 0.000 0.231 1225 S C 1.769 176.395 174.600 0.043 0.000 1.014 1225 S CA 1.832 60.062 58.200 0.051 0.000 0.965 1225 S CB -1.581 61.648 63.200 0.049 0.000 0.785 1225 S HN 0.363 nan 8.310 nan 0.000 0.495 1226 T N -3.719 110.884 114.554 0.080 0.000 3.004 1226 T HA 0.296 4.647 4.350 0.002 0.000 0.266 1226 T C -0.201 174.570 174.700 0.120 0.000 0.986 1226 T CA -0.504 61.643 62.100 0.078 0.000 0.902 1226 T CB -0.292 68.629 68.868 0.089 0.000 1.118 1226 T HN 0.394 nan 8.240 nan 0.000 0.522 1227 Y N 2.714 123.012 120.300 -0.002 0.000 2.328 1227 Y HA 0.579 5.130 4.550 0.002 0.000 0.333 1227 Y C -1.080 174.753 175.900 -0.113 0.000 0.958 1227 Y CA -1.302 56.782 58.100 -0.026 0.000 1.167 1227 Y CB 1.082 39.563 38.460 0.035 0.000 1.151 1227 Y HN -0.183 nan 8.280 nan 0.000 0.470 1228 K N 8.797 128.907 120.400 -0.484 0.000 2.292 1228 K HA 0.298 4.619 4.320 0.002 0.000 0.270 1228 K C -0.350 175.944 176.600 -0.509 0.000 1.062 1228 K CA -0.408 55.644 56.287 -0.391 0.000 0.916 1228 K CB 0.741 33.088 32.500 -0.255 0.000 1.166 1228 K HN 0.855 nan 8.250 nan 0.000 0.458 1229 I N -0.347 119.946 120.570 -0.461 0.000 2.612 1229 I HA 0.417 4.588 4.170 0.002 0.000 0.295 1229 I C -2.134 173.821 176.117 -0.270 0.000 1.011 1229 I CA -2.372 58.701 61.300 -0.379 0.000 1.326 1229 I CB 0.537 38.303 38.000 -0.390 0.000 1.427 1229 I HN 0.199 nan 8.210 nan 0.000 0.537 1230 P HA 0.128 nan 4.420 nan 0.000 0.265 1230 P C -0.720 176.488 177.300 -0.153 0.000 1.187 1230 P CA 0.048 63.043 63.100 -0.175 0.000 0.766 1230 P CB 0.588 32.191 31.700 -0.162 0.000 0.820 1231 A N 1.990 124.745 122.820 -0.110 0.000 2.282 1231 A HA 0.492 4.813 4.320 0.002 0.000 0.324 1231 A C 0.834 178.401 177.584 -0.029 0.000 1.119 1231 A CA -0.544 51.467 52.037 -0.043 0.000 0.880 1231 A CB -0.123 18.886 19.000 0.015 0.000 1.294 1231 A HN 0.436 nan 8.150 nan 0.000 0.493 1232 F N 0.623 120.554 119.950 -0.031 0.000 2.063 1232 F HA -0.245 4.284 4.527 0.002 0.000 0.298 1232 F C 2.586 178.368 175.800 -0.030 0.000 1.105 1232 F CA 2.775 60.767 58.000 -0.015 0.000 1.215 1232 F CB -0.543 38.454 39.000 -0.006 0.000 0.972 1232 F HN 0.645 nan 8.300 nan 0.000 0.483 1233 G N -1.787 107.113 108.800 0.167 0.000 2.559 1233 G HA2 -0.135 3.826 3.960 0.002 0.000 0.216 1233 G HA3 -0.135 3.826 3.960 0.002 0.000 0.216 1233 G C 1.572 176.461 174.900 -0.018 0.000 1.126 1233 G CA 0.937 46.071 45.100 0.056 0.000 0.778 1233 G HN 0.391 nan 8.290 nan 0.000 0.543 1234 S N 0.212 115.886 115.700 -0.044 0.000 2.446 1234 S HA 0.116 4.587 4.470 0.002 0.000 0.225 1234 S C 1.338 175.874 174.600 -0.106 0.000 1.016 1234 S CA -0.032 58.111 58.200 -0.095 0.000 0.943 1234 S CB -0.165 62.967 63.200 -0.112 0.000 0.786 1234 S HN 0.630 nan 8.310 nan 0.000 0.508 1235 I N 0.772 121.273 120.570 -0.115 0.000 2.993 1235 I HA 0.251 4.422 4.170 0.002 0.000 0.286 1235 I C -2.922 173.085 176.117 -0.184 0.000 1.215 1235 I CA -2.065 59.110 61.300 -0.207 0.000 1.393 1235 I CB -0.168 37.698 38.000 -0.222 0.000 1.371 1235 I HN -0.143 nan 8.210 nan 0.000 0.602 1236 P HA 0.144 nan 4.420 nan 0.000 0.271 1236 P C 0.367 177.633 177.300 -0.056 0.000 1.216 1236 P CA -0.217 62.799 63.100 -0.141 0.000 0.771 1236 P CB 0.849 32.456 31.700 -0.156 0.000 0.864 1237 T N 0.258 114.801 114.554 -0.019 0.000 2.684 1237 T HA -0.124 4.227 4.350 0.002 0.000 0.267 1237 T C 0.659 175.385 174.700 0.043 0.000 1.036 1237 T CA 1.443 63.550 62.100 0.011 0.000 1.148 1237 T CB -0.280 68.588 68.868 -0.000 0.000 0.863 1237 T HN 0.428 nan 8.240 nan 0.000 0.436 1238 E N 0.757 120.981 120.200 0.040 0.000 2.055 1238 E HA 0.348 4.700 4.350 0.002 0.000 0.274 1238 E C -1.583 175.100 176.600 0.137 0.000 0.949 1238 E CA -0.288 56.152 56.400 0.067 0.000 0.775 1238 E CB 0.541 30.258 29.700 0.028 0.000 1.097 1238 E HN 0.452 nan 8.360 nan 0.000 0.404 1239 F N 4.490 124.407 119.950 -0.056 0.000 2.366 1239 F HA 0.379 4.907 4.527 0.002 0.000 0.366 1239 F C -0.152 175.587 175.800 -0.100 0.000 1.096 1239 F CA -0.832 57.112 58.000 -0.095 0.000 1.060 1239 F CB 0.582 39.541 39.000 -0.069 0.000 1.282 1239 F HN 0.098 nan 8.300 nan 0.000 0.450 1240 R N 5.419 125.890 120.500 -0.048 0.000 2.480 1240 R HA 0.642 4.983 4.340 0.002 0.000 0.306 1240 R C -1.554 174.615 176.300 -0.219 0.000 0.958 1240 R CA -0.999 55.008 56.100 -0.156 0.000 0.861 1240 R CB 2.715 32.969 30.300 -0.077 0.000 1.171 1240 R HN 0.324 nan 8.270 nan 0.000 0.445 1241 V N 1.807 121.574 119.914 -0.245 0.000 2.588 1241 V HA 0.408 4.529 4.120 0.002 0.000 0.304 1241 V C -0.384 175.631 176.094 -0.131 0.000 1.042 1241 V CA -0.627 61.547 62.300 -0.211 0.000 0.877 1241 V CB 2.141 33.798 31.823 -0.278 0.000 0.996 1241 V HN 0.761 nan 8.190 nan 0.000 0.425 1242 S N 4.752 120.397 115.700 -0.091 0.000 2.526 1242 S HA 0.736 5.207 4.470 0.002 0.000 0.293 1242 S C -0.712 173.862 174.600 -0.042 0.000 1.092 1242 S CA -0.609 57.554 58.200 -0.061 0.000 0.980 1242 S CB 1.633 64.803 63.200 -0.050 0.000 1.048 1242 S HN 0.534 nan 8.310 nan 0.000 0.483 1243 L N 2.768 123.972 121.223 -0.031 0.000 2.275 1243 L HA 0.467 4.808 4.340 0.002 0.000 0.288 1243 L C -0.249 176.617 176.870 -0.007 0.000 1.046 1243 L CA -0.922 53.910 54.840 -0.014 0.000 0.805 1243 L CB 0.656 42.707 42.059 -0.013 0.000 1.193 1243 L HN 0.472 nan 8.230 nan 0.000 0.426 1244 L N 4.870 126.096 121.223 0.005 0.000 2.559 1244 L HA 0.076 4.417 4.340 0.002 0.000 0.274 1244 L C 0.467 177.340 176.870 0.005 0.000 1.205 1244 L CA 0.645 55.490 54.840 0.008 0.000 0.907 1244 L CB -0.002 42.069 42.059 0.021 0.000 1.153 1244 L HN 0.510 nan 8.230 nan 0.000 0.490 1245 R N 4.288 124.788 120.500 0.000 0.000 2.560 1245 R HA 0.220 4.561 4.340 0.002 0.000 0.270 1245 R C -0.436 175.865 176.300 0.001 0.000 1.074 1245 R CA -0.608 55.491 56.100 -0.002 0.000 1.140 1245 R CB 0.318 30.615 30.300 -0.005 0.000 1.073 1245 R HN 0.719 nan 8.270 nan 0.000 0.527 1246 D N 0.436 120.835 120.400 -0.001 0.000 2.737 1246 D HA -0.131 4.510 4.640 0.002 0.000 0.238 1246 D C -0.269 176.032 176.300 0.003 0.000 1.157 1246 D CA 0.969 54.969 54.000 -0.000 0.000 0.694 1246 D CB -1.189 39.612 40.800 0.001 0.000 1.021 1246 D HN 0.779 nan 8.370 nan 0.000 0.420 1247 C N -1.832 117.470 119.300 0.002 0.000 3.327 1247 C HA 0.398 4.859 4.460 0.002 0.000 0.192 1247 C C -2.533 172.456 174.990 -0.003 0.000 1.603 1247 C CA -1.891 57.131 59.018 0.006 0.000 1.222 1247 C CB 0.043 27.794 27.740 0.018 0.000 1.981 1247 C HN -0.010 nan 8.230 nan 0.000 0.563 1248 P HA 0.095 nan 4.420 nan 0.000 0.264 1248 P C -0.204 177.065 177.300 -0.051 0.000 1.183 1248 P CA 0.892 63.975 63.100 -0.029 0.000 0.763 1248 P CB 0.530 32.217 31.700 -0.021 0.000 0.807 1249 N N 2.389 121.030 118.700 -0.098 0.000 2.426 1249 N HA 0.097 4.838 4.740 0.002 0.000 0.257 1249 N C 0.658 176.063 175.510 -0.174 0.000 1.002 1249 N CA -0.251 52.691 53.050 -0.180 0.000 0.942 1249 N CB 0.573 38.861 38.487 -0.332 0.000 1.112 1249 N HN 0.106 nan 8.380 nan 0.000 0.499 1250 K N 2.092 122.411 120.400 -0.136 0.000 2.097 1250 K HA 0.012 4.333 4.320 0.002 0.000 0.205 1250 K C 1.064 177.598 176.600 -0.110 0.000 1.050 1250 K CA 0.907 57.136 56.287 -0.096 0.000 0.938 1250 K CB 0.216 32.682 32.500 -0.056 0.000 0.718 1250 K HN 0.489 nan 8.250 nan 0.000 0.442 1251 K N 0.331 120.622 120.400 -0.181 0.000 2.362 1251 K HA -0.006 4.315 4.320 0.002 0.000 0.200 1251 K C 0.759 177.368 176.600 0.015 0.000 1.046 1251 K CA 0.517 56.728 56.287 -0.126 0.000 0.952 1251 K CB 0.122 32.353 32.500 -0.448 0.000 0.753 1251 K HN 0.089 nan 8.250 nan 0.000 0.466 1252 A N 1.100 123.826 122.820 -0.157 0.000 2.386 1252 A HA 0.453 4.774 4.320 0.002 0.000 0.308 1252 A C -0.500 176.977 177.584 -0.177 0.000 1.128 1252 A CA -0.860 51.109 52.037 -0.114 0.000 0.789 1252 A CB 0.840 19.755 19.000 -0.142 0.000 1.325 1252 A HN 0.128 nan 8.150 nan 0.000 0.437 1253 I N 0.880 121.309 120.570 -0.235 0.000 2.821 1253 I HA 0.017 4.188 4.170 0.002 0.000 0.294 1253 I C 0.105 176.088 176.117 -0.224 0.000 1.210 1253 I CA 1.218 62.294 61.300 -0.373 0.000 1.430 1253 I CB -1.155 36.586 38.000 -0.431 0.000 1.356 1253 I HN 0.635 nan 8.210 nan 0.000 0.563 1254 Y N 5.862 126.057 120.300 -0.175 0.000 3.617 1254 Y HA -0.296 4.255 4.550 0.002 0.000 0.215 1254 Y C 1.431 177.269 175.900 -0.104 0.000 1.178 1254 Y CA 0.482 58.507 58.100 -0.126 0.000 1.517 1254 Y CB -1.728 36.674 38.460 -0.096 0.000 1.457 1254 Y HN 1.025 nan 8.280 nan 0.000 0.615 1255 A N -1.597 121.223 122.820 -0.001 0.000 3.201 1255 A HA -0.254 4.067 4.320 0.002 0.000 0.260 1255 A C 0.993 178.540 177.584 -0.062 0.000 1.222 1255 A CA 0.954 52.965 52.037 -0.042 0.000 1.124 1255 A CB -2.029 16.965 19.000 -0.011 0.000 1.155 1255 A HN 1.241 nan 8.150 nan 0.000 0.924 1256 S N -0.709 114.959 115.700 -0.053 0.000 2.661 1256 S HA 0.745 5.216 4.470 0.002 0.000 0.265 1256 S C -0.061 174.483 174.600 -0.093 0.000 1.225 1256 S CA 0.061 58.234 58.200 -0.044 0.000 0.986 1256 S CB 1.317 64.513 63.200 -0.006 0.000 1.008 1256 S HN 0.581 nan 8.310 nan 0.000 0.565 1257 K N -0.360 120.025 120.400 -0.026 0.000 2.477 1257 K HA 0.637 4.958 4.320 0.002 0.000 0.255 1257 K C -0.644 176.028 176.600 0.120 0.000 0.952 1257 K CA -0.863 55.451 56.287 0.044 0.000 0.826 1257 K CB 2.182 34.715 32.500 0.055 0.000 1.331 1257 K HN 0.844 nan 8.250 nan 0.000 0.437 1258 A N 0.950 123.902 122.820 0.221 0.000 2.555 1258 A HA 0.113 4.434 4.320 0.002 0.000 0.233 1258 A C 0.611 178.226 177.584 0.051 0.000 1.060 1258 A CA 0.173 52.270 52.037 0.099 0.000 0.759 1258 A CB 0.412 19.439 19.000 0.046 0.000 0.995 1258 A HN 0.551 nan 8.150 nan 0.000 0.506 1259 V N 2.110 122.030 119.914 0.010 0.000 3.309 1259 V HA 0.226 4.347 4.120 0.002 0.000 0.268 1259 V C 1.706 177.788 176.094 -0.020 0.000 1.631 1259 V CA 1.498 63.800 62.300 0.002 0.000 1.018 1259 V CB -0.358 31.476 31.823 0.020 0.000 0.841 1259 V HN 1.167 nan 8.190 nan 0.000 0.418 1260 G N 0.491 109.274 108.800 -0.029 0.000 2.587 1260 G HA2 -0.261 3.700 3.960 0.002 0.000 0.217 1260 G HA3 -0.261 3.700 3.960 0.002 0.000 0.217 1260 G C 1.156 176.027 174.900 -0.048 0.000 1.240 1260 G CA 1.571 46.662 45.100 -0.014 0.000 0.794 1260 G HN 0.595 nan 8.290 nan 0.000 0.580 1261 E N 0.803 120.897 120.200 -0.176 0.000 2.051 1261 E HA -0.025 4.326 4.350 0.002 0.000 0.189 1261 E C 0.149 176.448 176.600 -0.500 0.000 0.979 1261 E CA 0.661 56.852 56.400 -0.347 0.000 0.803 1261 E CB -0.392 28.985 29.700 -0.537 0.000 0.761 1261 E HN 0.280 nan 8.360 nan 0.000 0.451 1262 P HA -0.190 nan 4.420 nan 0.000 0.220 1262 P C -1.669 175.586 177.300 -0.075 0.000 1.155 1262 P CA 2.085 64.966 63.100 -0.364 0.000 0.880 1262 P CB -0.818 30.805 31.700 -0.128 0.000 0.790 1263 P HA 0.023 nan 4.420 nan 0.000 0.241 1263 P C 1.464 178.857 177.300 0.154 0.000 1.191 1263 P CA 0.357 63.525 63.100 0.113 0.000 0.771 1263 P CB -0.410 31.365 31.700 0.126 0.000 0.929 1264 L N -0.940 120.331 121.223 0.079 0.000 1.989 1264 L HA -0.171 4.170 4.340 0.002 0.000 0.211 1264 L C 2.219 179.193 176.870 0.174 0.000 1.071 1264 L CA 1.716 56.606 54.840 0.083 0.000 0.749 1264 L CB -0.796 41.272 42.059 0.015 0.000 0.890 1264 L HN -0.105 nan 8.230 nan 0.000 0.431 1265 F N 0.188 120.203 119.950 0.108 0.000 2.202 1265 F HA -0.228 4.300 4.527 0.002 0.000 0.301 1265 F C 1.950 177.878 175.800 0.213 0.000 1.082 1265 F CA 1.474 59.602 58.000 0.214 0.000 1.313 1265 F CB -0.402 38.712 39.000 0.190 0.000 1.024 1265 F HN 0.025 nan 8.300 nan 0.000 0.495 1266 L N -0.022 121.230 121.223 0.050 0.000 2.261 1266 L HA -0.190 4.151 4.340 0.002 0.000 0.216 1266 L C 2.746 179.635 176.870 0.032 0.000 1.114 1266 L CA 1.031 55.891 54.840 0.033 0.000 0.777 1266 L CB -1.727 40.496 42.059 0.273 0.000 0.910 1266 L HN 0.355 nan 8.230 nan 0.000 0.440 1267 G N 0.158 108.848 108.800 -0.183 0.000 2.475 1267 G HA2 -0.306 3.655 3.960 0.002 0.000 0.220 1267 G HA3 -0.306 3.655 3.960 0.002 0.000 0.220 1267 G C 1.729 176.488 174.900 -0.235 0.000 1.125 1267 G CA 0.869 45.609 45.100 -0.601 0.000 0.755 1267 G HN 0.509 nan 8.290 nan 0.000 0.565 1268 A N 1.165 123.770 122.820 -0.358 0.000 2.070 1268 A HA 0.037 4.358 4.320 0.002 0.000 0.220 1268 A C 2.664 180.132 177.584 -0.192 0.000 1.159 1268 A CA 2.115 53.729 52.037 -0.705 0.000 0.656 1268 A CB -0.554 17.720 19.000 -1.210 0.000 0.800 1268 A HN 0.757 nan 8.150 nan 0.000 0.453 1269 S N -0.320 115.337 115.700 -0.071 0.000 2.419 1269 S HA -0.116 4.355 4.470 0.002 0.000 0.233 1269 S C 1.661 176.330 174.600 0.116 0.000 1.016 1269 S CA 1.325 59.591 58.200 0.110 0.000 0.974 1269 S CB -0.814 62.451 63.200 0.109 0.000 0.786 1269 S HN 0.259 nan 8.310 nan 0.000 0.492 1270 V N 1.062 121.013 119.914 0.062 0.000 2.307 1270 V HA -0.090 4.031 4.120 0.002 0.000 0.245 1270 V C 2.069 178.133 176.094 -0.050 0.000 1.045 1270 V CA 1.975 64.291 62.300 0.027 0.000 1.024 1270 V CB -1.106 30.727 31.823 0.016 0.000 0.651 1270 V HN 0.543 nan 8.190 nan 0.000 0.449 1271 F N 0.688 120.487 119.950 -0.251 0.000 2.065 1271 F HA -0.250 4.278 4.527 0.002 0.000 0.298 1271 F C 2.032 177.578 175.800 -0.423 0.000 1.112 1271 F CA 2.027 59.786 58.000 -0.403 0.000 1.212 1271 F CB -0.377 38.222 39.000 -0.668 0.000 0.975 1271 F HN 0.140 nan 8.300 nan 0.000 0.476 1272 F N -0.137 119.876 119.950 0.106 0.000 2.367 1272 F HA 0.024 4.552 4.527 0.002 0.000 0.298 1272 F C 2.471 178.242 175.800 -0.049 0.000 1.094 1272 F CA 0.646 58.658 58.000 0.021 0.000 1.409 1272 F CB -1.077 37.954 39.000 0.052 0.000 1.064 1272 F HN 0.055 nan 8.300 nan 0.000 0.528 1273 A N 0.799 123.671 122.820 0.086 0.000 1.908 1273 A HA -0.183 4.139 4.320 0.002 0.000 0.218 1273 A C 2.180 179.727 177.584 -0.063 0.000 1.181 1273 A CA 1.762 53.811 52.037 0.020 0.000 0.627 1273 A CB -1.052 17.954 19.000 0.010 0.000 0.818 1273 A HN 0.396 nan 8.150 nan 0.000 0.445 1274 I N -0.809 119.653 120.570 -0.181 0.000 2.202 1274 I HA -0.244 3.927 4.170 0.002 0.000 0.242 1274 I C 2.517 178.528 176.117 -0.177 0.000 1.091 1274 I CA 1.748 62.904 61.300 -0.240 0.000 1.368 1274 I CB -0.255 37.496 38.000 -0.415 0.000 1.058 1274 I HN 0.324 nan 8.210 nan 0.000 0.410 1275 K N 0.759 121.014 120.400 -0.243 0.000 2.103 1275 K HA -0.280 4.041 4.320 0.002 0.000 0.207 1275 K C 1.729 178.398 176.600 0.114 0.000 1.048 1275 K CA 2.054 58.312 56.287 -0.048 0.000 0.930 1275 K CB -0.110 32.327 32.500 -0.105 0.000 0.716 1275 K HN 0.194 nan 8.250 nan 0.000 0.444 1276 D N -0.265 120.177 120.400 0.070 0.000 2.104 1276 D HA -0.133 4.508 4.640 0.002 0.000 0.194 1276 D C 1.623 177.960 176.300 0.062 0.000 0.994 1276 D CA 1.579 55.629 54.000 0.083 0.000 0.830 1276 D CB -0.023 40.815 40.800 0.064 0.000 0.959 1276 D HN 0.321 nan 8.370 nan 0.000 0.452 1277 A N -0.167 122.669 122.820 0.026 0.000 1.968 1277 A HA -0.030 4.291 4.320 0.002 0.000 0.217 1277 A C 2.363 179.957 177.584 0.016 0.000 1.169 1277 A CA 0.699 52.746 52.037 0.018 0.000 0.638 1277 A CB -0.601 18.398 19.000 -0.002 0.000 0.812 1277 A HN 0.332 nan 8.150 nan 0.000 0.446 1278 I N -0.816 119.766 120.570 0.020 0.000 2.226 1278 I HA -0.267 3.904 4.170 0.002 0.000 0.245 1278 I C 2.692 178.767 176.117 -0.071 0.000 1.100 1278 I CA 1.181 62.465 61.300 -0.026 0.000 1.374 1278 I CB -0.406 37.592 38.000 -0.003 0.000 1.057 1278 I HN 0.300 nan 8.210 nan 0.000 0.413 1279 R N 0.829 121.359 120.500 0.050 0.000 2.119 1279 R HA -0.220 4.121 4.340 0.002 0.000 0.246 1279 R C 2.422 178.715 176.300 -0.012 0.000 1.146 1279 R CA 1.776 57.908 56.100 0.053 0.000 0.962 1279 R CB -0.511 29.881 30.300 0.154 0.000 0.863 1279 R HN 0.411 nan 8.270 nan 0.000 0.442 1280 A N 0.820 123.636 122.820 -0.005 0.000 1.930 1280 A HA -0.040 4.281 4.320 0.002 0.000 0.217 1280 A C 2.317 179.857 177.584 -0.075 0.000 1.175 1280 A CA 1.493 53.513 52.037 -0.027 0.000 0.627 1280 A CB -0.457 18.543 19.000 0.001 0.000 0.815 1280 A HN 0.405 nan 8.150 nan 0.000 0.443 1281 A N -0.340 122.443 122.820 -0.062 0.000 1.969 1281 A HA -0.082 4.239 4.320 0.002 0.000 0.218 1281 A C 2.244 179.772 177.584 -0.092 0.000 1.169 1281 A CA 1.405 53.402 52.037 -0.067 0.000 0.635 1281 A CB -0.342 18.665 19.000 0.011 0.000 0.810 1281 A HN 0.539 nan 8.150 nan 0.000 0.445 1282 R N -0.590 119.844 120.500 -0.110 0.000 2.055 1282 R HA 0.038 4.379 4.340 0.002 0.000 0.228 1282 R C 2.498 178.741 176.300 -0.095 0.000 1.143 1282 R CA 1.108 57.141 56.100 -0.111 0.000 0.945 1282 R CB -0.532 29.651 30.300 -0.195 0.000 0.841 1282 R HN 0.442 nan 8.270 nan 0.000 0.429 1283 A N 1.024 123.791 122.820 -0.088 0.000 2.042 1283 A HA -0.311 4.010 4.320 0.002 0.000 0.222 1283 A C 2.074 179.574 177.584 -0.140 0.000 1.167 1283 A CA 1.917 53.905 52.037 -0.082 0.000 0.649 1283 A CB -0.481 18.485 19.000 -0.057 0.000 0.809 1283 A HN 0.360 nan 8.150 nan 0.000 0.457 1284 Q N -1.511 118.151 119.800 -0.229 0.000 2.062 1284 Q HA -0.121 4.220 4.340 0.002 0.000 0.196 1284 Q C 1.632 177.346 176.000 -0.477 0.000 0.967 1284 Q CA 1.856 57.398 55.803 -0.434 0.000 0.832 1284 Q CB -0.083 28.255 28.738 -0.666 0.000 0.899 1284 Q HN 0.742 nan 8.270 nan 0.000 0.442 1285 H N -1.311 117.685 119.070 -0.123 0.000 3.046 1285 H HA 0.245 4.802 4.556 0.002 0.000 0.262 1285 H C 1.033 176.327 175.328 -0.057 0.000 1.044 1285 H CA 0.993 56.979 56.048 -0.104 0.000 1.209 1285 H CB 0.537 30.241 29.762 -0.097 0.000 1.507 1285 H HN 0.457 nan 8.280 nan 0.000 0.507 1286 T N -0.195 114.387 114.554 0.045 0.000 3.130 1286 T HA 0.083 4.434 4.350 0.002 0.000 0.206 1286 T C 1.024 175.725 174.700 0.001 0.000 0.785 1286 T CA -0.602 61.509 62.100 0.019 0.000 1.861 1286 T CB -0.030 68.835 68.868 -0.004 0.000 2.815 1286 T HN 0.271 nan 8.240 nan 0.000 0.379 1287 N N 1.179 119.876 118.700 -0.004 0.000 2.418 1287 N HA 0.155 4.896 4.740 0.002 0.000 0.283 1287 N C -0.437 175.068 175.510 -0.009 0.000 1.267 1287 N CA -0.698 52.351 53.050 -0.001 0.000 0.975 1287 N CB 0.293 38.787 38.487 0.011 0.000 1.167 1287 N HN 0.414 nan 8.380 nan 0.000 0.581 1288 N N -0.358 118.341 118.700 -0.002 0.000 2.321 1288 N HA 0.049 4.790 4.740 0.002 0.000 0.242 1288 N C -0.822 174.696 175.510 0.012 0.000 1.141 1288 N CA -0.111 52.938 53.050 -0.002 0.000 0.864 1288 N CB -0.557 37.928 38.487 -0.003 0.000 1.100 1288 N HN 0.452 nan 8.380 nan 0.000 0.510 1289 N N 0.912 119.626 118.700 0.022 0.000 2.605 1289 N HA 0.069 4.810 4.740 0.002 0.000 0.258 1289 N C 0.885 176.424 175.510 0.047 0.000 1.156 1289 N CA 0.171 53.244 53.050 0.038 0.000 1.008 1289 N CB 0.344 38.861 38.487 0.051 0.000 1.354 1289 N HN 0.098 nan 8.380 nan 0.000 0.509 1290 T N 1.477 116.055 114.554 0.041 0.000 2.680 1290 T HA -0.225 4.126 4.350 0.002 0.000 0.268 1290 T C 1.083 175.826 174.700 0.071 0.000 1.033 1290 T CA 1.553 63.682 62.100 0.048 0.000 1.152 1290 T CB 0.101 68.995 68.868 0.043 0.000 0.859 1290 T HN 0.487 nan 8.240 nan 0.000 0.452 1291 K N 0.670 121.116 120.400 0.077 0.000 2.387 1291 K HA 0.197 4.518 4.320 0.002 0.000 0.203 1291 K C 0.546 177.211 176.600 0.108 0.000 1.030 1291 K CA -0.191 56.151 56.287 0.092 0.000 1.099 1291 K CB 0.674 33.225 32.500 0.085 0.000 0.863 1291 K HN 0.466 nan 8.250 nan 0.000 0.529 1292 E N 2.010 122.278 120.200 0.114 0.000 2.366 1292 E HA 0.131 4.482 4.350 0.002 0.000 0.266 1292 E C -0.906 175.810 176.600 0.193 0.000 1.051 1292 E CA -0.185 56.296 56.400 0.136 0.000 0.884 1292 E CB 0.707 30.480 29.700 0.123 0.000 1.006 1292 E HN 0.077 nan 8.360 nan 0.000 0.417 1293 L N 4.686 126.024 121.223 0.191 0.000 2.329 1293 L HA 0.500 4.841 4.340 0.002 0.000 0.279 1293 L C -0.209 176.824 176.870 0.271 0.000 1.014 1293 L CA -1.101 53.859 54.840 0.199 0.000 0.814 1293 L CB 0.805 42.937 42.059 0.121 0.000 1.257 1293 L HN 0.492 nan 8.230 nan 0.000 0.424 1294 F N -0.354 119.657 119.950 0.102 0.000 2.538 1294 F HA 0.684 5.212 4.527 0.002 0.000 0.325 1294 F C -0.090 175.791 175.800 0.136 0.000 1.066 1294 F CA -1.261 56.802 58.000 0.104 0.000 0.946 1294 F CB 1.282 40.333 39.000 0.084 0.000 1.199 1294 F HN 0.369 nan 8.300 nan 0.000 0.473 1295 R N 2.986 123.586 120.500 0.166 0.000 2.216 1295 R HA 0.502 4.843 4.340 0.002 0.000 0.332 1295 R C -1.744 174.662 176.300 0.175 0.000 1.056 1295 R CA -0.636 55.536 56.100 0.120 0.000 0.901 1295 R CB 0.708 31.115 30.300 0.178 0.000 1.039 1295 R HN 0.840 nan 8.270 nan 0.000 0.456 1296 L N 5.266 126.551 121.223 0.104 0.000 2.294 1296 L HA 0.377 4.718 4.340 0.002 0.000 0.283 1296 L C -0.979 176.144 176.870 0.423 0.000 1.015 1296 L CA -0.339 54.652 54.840 0.252 0.000 0.831 1296 L CB 1.374 43.518 42.059 0.142 0.000 1.217 1296 L HN 0.660 nan 8.230 nan 0.000 0.420 1297 D N 1.753 122.392 120.400 0.399 0.000 2.348 1297 D HA 0.255 4.896 4.640 0.002 0.000 0.249 1297 D C -0.400 176.160 176.300 0.434 0.000 1.110 1297 D CA -0.059 54.199 54.000 0.430 0.000 0.967 1297 D CB 1.745 42.785 40.800 0.400 0.000 1.139 1297 D HN 0.461 nan 8.370 nan 0.000 0.466 1298 S N 0.464 116.292 115.700 0.214 0.000 2.489 1298 S HA 0.532 5.003 4.470 0.002 0.000 0.291 1298 S C -2.715 171.892 174.600 0.012 0.000 1.151 1298 S CA -1.421 56.764 58.200 -0.025 0.000 1.082 1298 S CB 1.366 64.116 63.200 -0.750 0.000 1.019 1298 S HN 0.122 nan 8.310 nan 0.000 0.492 1299 P HA 0.284 nan 4.420 nan 0.000 0.285 1299 P C -1.059 176.359 177.300 0.197 0.000 1.259 1299 P CA -0.537 62.610 63.100 0.079 0.000 0.794 1299 P CB 0.968 32.665 31.700 -0.005 0.000 0.940 1300 A N 3.209 126.214 122.820 0.308 0.000 2.899 1300 A HA 0.337 4.658 4.320 0.002 0.000 0.287 1300 A C 1.012 178.640 177.584 0.073 0.000 1.715 1300 A CA -0.041 52.094 52.037 0.162 0.000 1.393 1300 A CB -1.405 17.554 19.000 -0.067 0.000 1.070 1300 A HN 0.614 nan 8.150 nan 0.000 0.587 1301 T N -0.049 114.552 114.554 0.078 0.000 2.754 1301 T HA 0.358 4.709 4.350 0.002 0.000 0.286 1301 T C -1.662 173.070 174.700 0.053 0.000 0.997 1301 T CA -1.285 60.847 62.100 0.054 0.000 0.982 1301 T CB 0.295 69.185 68.868 0.037 0.000 1.027 1301 T HN 0.205 nan 8.240 nan 0.000 0.529 1302 P HA -0.109 nan 4.420 nan 0.000 0.215 1302 P C 1.561 178.880 177.300 0.033 0.000 1.153 1302 P CA 1.252 64.378 63.100 0.044 0.000 0.853 1302 P CB -0.010 31.703 31.700 0.022 0.000 0.788 1303 E N 0.704 120.919 120.200 0.025 0.000 2.068 1303 E HA -0.291 4.060 4.350 0.002 0.000 0.207 1303 E C 1.807 178.436 176.600 0.048 0.000 1.032 1303 E CA 1.834 58.252 56.400 0.029 0.000 0.839 1303 E CB -0.317 29.398 29.700 0.024 0.000 0.758 1303 E HN 0.125 nan 8.360 nan 0.000 0.457 1304 K N -0.130 120.309 120.400 0.065 0.000 2.057 1304 K HA -0.108 4.213 4.320 0.002 0.000 0.206 1304 K C 2.336 178.981 176.600 0.074 0.000 1.050 1304 K CA 1.437 57.777 56.287 0.088 0.000 0.935 1304 K CB -0.165 32.406 32.500 0.118 0.000 0.715 1304 K HN 0.299 nan 8.250 nan 0.000 0.439 1305 I N 0.582 121.182 120.570 0.049 0.000 2.252 1305 I HA -0.255 3.916 4.170 0.002 0.000 0.245 1305 I C 2.580 178.719 176.117 0.036 0.000 1.102 1305 I CA 0.921 62.239 61.300 0.029 0.000 1.385 1305 I CB -0.128 37.881 38.000 0.014 0.000 1.064 1305 I HN 0.055 nan 8.210 nan 0.000 0.414 1306 R N 1.614 122.139 120.500 0.041 0.000 2.073 1306 R HA -0.137 4.204 4.340 0.002 0.000 0.234 1306 R C 1.994 178.322 176.300 0.046 0.000 1.134 1306 R CA 1.745 57.870 56.100 0.042 0.000 0.952 1306 R CB -0.545 29.773 30.300 0.030 0.000 0.850 1306 R HN 0.281 nan 8.270 nan 0.000 0.433 1307 N N 0.466 119.195 118.700 0.049 0.000 2.205 1307 N HA -0.153 4.588 4.740 0.002 0.000 0.186 1307 N C 1.445 176.980 175.510 0.042 0.000 1.015 1307 N CA 1.623 54.705 53.050 0.053 0.000 0.862 1307 N CB -0.413 38.113 38.487 0.064 0.000 0.986 1307 N HN 0.399 nan 8.380 nan 0.000 0.429 1308 A N 0.136 122.974 122.820 0.031 0.000 2.014 1308 A HA -0.032 4.289 4.320 0.002 0.000 0.218 1308 A C 1.292 178.807 177.584 -0.115 0.000 1.163 1308 A CA 0.425 52.438 52.037 -0.039 0.000 0.652 1308 A CB -0.321 18.673 19.000 -0.010 0.000 0.808 1308 A HN 0.367 nan 8.150 nan 0.000 0.449 1309 C N 1.891 121.172 119.300 -0.032 0.000 3.025 1309 C HA 0.391 4.852 4.460 0.002 0.000 0.547 1309 C C 0.575 175.600 174.990 0.058 0.000 1.058 1309 C CA -1.013 58.010 59.018 0.009 0.000 1.164 1309 C CB -2.224 25.561 27.740 0.075 0.000 1.405 1309 C HN 0.296 nan 8.230 nan 0.000 0.610 1310 V N 4.267 124.193 119.914 0.019 0.000 2.485 1310 V HA 0.236 4.357 4.120 0.002 0.000 0.287 1310 V C 0.260 176.405 176.094 0.084 0.000 1.022 1310 V CA 0.690 63.017 62.300 0.046 0.000 1.067 1310 V CB 0.236 32.068 31.823 0.016 0.000 0.967 1310 V HN 0.853 nan 8.190 nan 0.000 0.479 1311 D N 3.185 123.646 120.400 0.101 0.000 2.895 1311 D HA 0.263 4.904 4.640 0.002 0.000 0.320 1311 D C 0.678 176.989 176.300 0.018 0.000 1.249 1311 D CA -0.729 53.322 54.000 0.085 0.000 0.997 1311 D CB 0.738 41.612 40.800 0.124 0.000 1.430 1311 D HN 0.327 nan 8.370 nan 0.000 0.558 1312 K N -0.640 119.698 120.400 -0.104 0.000 2.519 1312 K HA -0.011 4.310 4.320 0.002 0.000 0.196 1312 K C 0.603 176.958 176.600 -0.408 0.000 1.041 1312 K CA 1.124 57.242 56.287 -0.282 0.000 0.954 1312 K CB -0.499 31.776 32.500 -0.375 0.000 0.774 1312 K HN 0.314 nan 8.250 nan 0.000 0.480 1313 F N 1.539 121.493 119.950 0.006 0.000 2.419 1313 F HA -0.005 4.523 4.527 0.002 0.000 0.283 1313 F C 2.677 178.474 175.800 -0.004 0.000 1.044 1313 F CA 0.743 58.733 58.000 -0.016 0.000 1.376 1313 F CB -0.385 38.588 39.000 -0.046 0.000 1.131 1313 F HN 0.071 nan 8.300 nan 0.000 0.585 1314 T N -1.890 112.776 114.554 0.187 0.000 2.803 1314 T HA -0.113 4.238 4.350 0.002 0.000 0.269 1314 T C 1.082 175.822 174.700 0.067 0.000 1.052 1314 T CA 1.415 63.581 62.100 0.109 0.000 1.136 1314 T CB -1.219 67.704 68.868 0.091 0.000 0.864 1314 T HN 0.298 nan 8.240 nan 0.000 0.467 1315 T N 0.000 114.581 114.554 0.044 0.000 3.816 1315 T HA 0.000 4.351 4.350 0.002 0.000 0.228 1315 T CA 0.000 62.111 62.100 0.018 0.000 1.349 1315 T CB 0.000 68.872 68.868 0.006 0.000 0.612 1315 T HN 0.000 nan 8.240 nan 0.000 0.658